smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)Cc1cccc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459266356 299070094 /nfs/dbraw/zinc/07/00/94/299070094.db2.gz POIWDOKIDCPWNM-HNNXBMFYSA-N 1 3 318.465 2.602 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459266356 299070097 /nfs/dbraw/zinc/07/00/97/299070097.db2.gz POIWDOKIDCPWNM-HNNXBMFYSA-N 1 3 318.465 2.602 20 0 DFADHO COc1cccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000278463778 214171158 /nfs/dbraw/zinc/17/11/58/214171158.db2.gz JFTIWMCTUJHPCM-CVEARBPZSA-N 1 3 306.450 2.847 20 0 DFADHO COc1cccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000278463778 214171161 /nfs/dbraw/zinc/17/11/61/214171161.db2.gz JFTIWMCTUJHPCM-CVEARBPZSA-N 1 3 306.450 2.847 20 0 DFADHO COc1cccc2c1CC[C@H]2NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278526630 214213018 /nfs/dbraw/zinc/21/30/18/214213018.db2.gz NEJSMZKBLKXMGE-MAUKXSAKSA-N 1 3 318.461 2.773 20 0 DFADHO COc1cccc2c1CC[C@H]2NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278526630 214213019 /nfs/dbraw/zinc/21/30/19/214213019.db2.gz NEJSMZKBLKXMGE-MAUKXSAKSA-N 1 3 318.461 2.773 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1cnn(C)c1 ZINC000309696088 231102766 /nfs/dbraw/zinc/10/27/66/231102766.db2.gz DZORIRUKZMBUEA-WMZOPIPTSA-N 1 3 312.461 2.983 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCCN(CCCc2nc(-c3cccs3)no2)C1 ZINC000315340157 231141041 /nfs/dbraw/zinc/14/10/41/231141041.db2.gz FQDLBMXAYHBWNU-OLZOCXBDSA-N 1 3 320.462 2.790 20 0 DFADHO C[NH+]1CCC(N2CCC(NC(=O)CCC3CCCC3)CC2)CC1 ZINC000050802197 425882368 /nfs/dbraw/zinc/88/23/68/425882368.db2.gz WNMJYOQPRIAODP-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO CC[C@H](N)C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000236967699 398365641 /nfs/dbraw/zinc/36/56/41/398365641.db2.gz ZGSWQNIIQQGXBT-INIZCTEOSA-N 1 3 316.449 2.659 20 0 DFADHO CCCC[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038732 185279192 /nfs/dbraw/zinc/27/91/92/185279192.db2.gz RKXOLKMVUBTHFA-OAHLLOKOSA-N 1 3 305.466 2.646 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC1CCC(F)(F)CC1 ZINC000459374804 299090357 /nfs/dbraw/zinc/09/03/57/299090357.db2.gz YHLRFVXPAHAKET-BZUAXINKSA-N 1 3 316.436 2.995 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC1CCC(F)(F)CC1 ZINC000459374807 299090981 /nfs/dbraw/zinc/09/09/81/299090981.db2.gz YHLRFVXPAHAKET-PMPSAXMXSA-N 1 3 316.436 2.995 20 0 DFADHO COc1ccc(CN2CCC(CC[NH+](C)C)CC2)c(OC)c1 ZINC000092380884 185314950 /nfs/dbraw/zinc/31/49/50/185314950.db2.gz WPMZMFXTQSICPT-UHFFFAOYSA-N 1 3 306.450 2.868 20 0 DFADHO C[NH+](C)[C@H](CNC(=O)CN1CCC(C)(C)CC1)c1ccccc1 ZINC000354803830 282238136 /nfs/dbraw/zinc/23/81/36/282238136.db2.gz FUZYXHYUDSGCKF-QGZVFWFLSA-N 1 3 317.477 2.528 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H]3CCN(C4CCCC4)C3)CC2)ccn1 ZINC000459412814 299100166 /nfs/dbraw/zinc/10/01/66/299100166.db2.gz SESDMXJEWOZGTE-QGZVFWFLSA-N 1 3 314.477 2.657 20 0 DFADHO CCOC(=O)C1(N(C)CCCC2CC[NH2+]CC2)CCCCC1 ZINC000592493289 398433686 /nfs/dbraw/zinc/43/36/86/398433686.db2.gz FEGSBFRXMFUKID-UHFFFAOYSA-N 1 3 310.482 2.964 20 0 DFADHO c1cc(N2CCC([NH2+]Cc3ccc4c(c3)COC4)CC2)ccn1 ZINC000459439598 299107464 /nfs/dbraw/zinc/10/74/64/299107464.db2.gz VYMRTODZEVUCDQ-UHFFFAOYSA-N 1 3 309.413 2.870 20 0 DFADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccccc3F)C2)C1 ZINC000292855374 530065268 /nfs/dbraw/zinc/06/52/68/530065268.db2.gz CBVITLIAOYSYOC-SFHVURJKSA-N 1 3 319.424 2.572 20 0 DFADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccccc3F)C2)C1 ZINC000292855374 530065269 /nfs/dbraw/zinc/06/52/69/530065269.db2.gz CBVITLIAOYSYOC-SFHVURJKSA-N 1 3 319.424 2.572 20 0 DFADHO CCN1CCN(CCC[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459463366 299113149 /nfs/dbraw/zinc/11/31/49/299113149.db2.gz LFKGSCBLZPRBJF-UHFFFAOYSA-N 1 3 301.478 2.681 20 0 DFADHO CCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272698700 210104336 /nfs/dbraw/zinc/10/43/36/210104336.db2.gz XYAIWDVVNNOZCC-DFQSSKMNSA-N 1 3 315.505 2.971 20 0 DFADHO CCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272698706 210104017 /nfs/dbraw/zinc/10/40/17/210104017.db2.gz XYAIWDVVNNOZCC-YSIASYRMSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCN1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272674587 210079604 /nfs/dbraw/zinc/07/96/04/210079604.db2.gz QOFXJAMPHBLNSU-YTQUADARSA-N 1 3 301.478 2.581 20 0 DFADHO C[C@H]1C[C@H](NCCN2CC=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000279649229 215031601 /nfs/dbraw/zinc/03/16/01/215031601.db2.gz DXPQZCKXAMGOOE-AZUAARDMSA-N 1 3 313.489 2.891 20 0 DFADHO C[C@H]1C[C@H](NCCN2CC=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000279649229 215031603 /nfs/dbraw/zinc/03/16/03/215031603.db2.gz DXPQZCKXAMGOOE-AZUAARDMSA-N 1 3 313.489 2.891 20 0 DFADHO CC(C)(C[NH2+]C1CCN(c2ccncc2)CC1)C1(O)CCCC1 ZINC000459560081 299134294 /nfs/dbraw/zinc/13/42/94/299134294.db2.gz KLQBFTOQXMBAEU-UHFFFAOYSA-N 1 3 317.477 2.971 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1C[C@H]1C ZINC000414107835 295768276 /nfs/dbraw/zinc/76/82/76/295768276.db2.gz ZGLNBHWCDOKARE-OLMNPRSZSA-N 1 3 317.477 2.502 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@H]1C[C@H]1C ZINC000414116832 295769045 /nfs/dbraw/zinc/76/90/45/295769045.db2.gz RMCWCIFIWJTVMH-VCBZYWHSSA-N 1 3 302.462 2.777 20 0 DFADHO CC[NH+]1CCC(CCNCc2cc(C)c(C(=O)OC)o2)CC1 ZINC000597061573 398558871 /nfs/dbraw/zinc/55/88/71/398558871.db2.gz PITBGNFAVMLCDE-UHFFFAOYSA-N 1 3 308.422 2.586 20 0 DFADHO [NH3+]Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000071700410 191009292 /nfs/dbraw/zinc/00/92/92/191009292.db2.gz DRQYEVLLWHPNEY-LJQANCHMSA-N 1 3 323.440 2.712 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1CCOCC1 ZINC000072743770 398634803 /nfs/dbraw/zinc/63/48/03/398634803.db2.gz XSYRLQYJOQGROH-LJQANCHMSA-N 1 3 320.477 2.922 20 0 DFADHO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000163937142 186143145 /nfs/dbraw/zinc/14/31/45/186143145.db2.gz DKPBXZSLYSOBQP-MPGHIAIKSA-N 1 3 308.466 2.685 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173319215 186176240 /nfs/dbraw/zinc/17/62/40/186176240.db2.gz PKKSYEURFWHIOV-AWEZNQCLSA-N 1 3 311.420 2.643 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)CN(C)C)cc1)C(C)C ZINC000287184592 219367038 /nfs/dbraw/zinc/36/70/38/219367038.db2.gz LTKCPEBNIVVNKZ-HNNXBMFYSA-N 1 3 305.466 2.597 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)CN(C)C)cc1)C(C)C ZINC000287184592 219367040 /nfs/dbraw/zinc/36/70/40/219367040.db2.gz LTKCPEBNIVVNKZ-HNNXBMFYSA-N 1 3 305.466 2.597 20 0 DFADHO COc1ccsc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734966 398643630 /nfs/dbraw/zinc/64/36/30/398643630.db2.gz LCYRRGIYRRHPPB-UHFFFAOYSA-N 1 3 324.490 2.834 20 0 DFADHO CCOC(=O)CCNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189952040 186254092 /nfs/dbraw/zinc/25/40/92/186254092.db2.gz PEEQYMVNRAAWJC-HOTGVXAUSA-N 1 3 318.461 2.686 20 0 DFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000237478840 186295856 /nfs/dbraw/zinc/29/58/56/186295856.db2.gz BBYCLUNQXBPGKC-QAPCUYQASA-N 1 3 315.461 2.999 20 0 DFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000237478840 186295858 /nfs/dbraw/zinc/29/58/58/186295858.db2.gz BBYCLUNQXBPGKC-QAPCUYQASA-N 1 3 315.461 2.999 20 0 DFADHO CC1(CNCc2csc(-c3ccccn3)n2)CC[NH2+]CC1 ZINC000414901370 295832293 /nfs/dbraw/zinc/83/22/93/295832293.db2.gz JPZSEYFHHUXSBW-UHFFFAOYSA-N 1 3 302.447 2.684 20 0 DFADHO O=C(CN1CCC(CCC[NH+]2CCCC2)CC1)N1CCCCC1 ZINC000121816061 282817894 /nfs/dbraw/zinc/81/78/94/282817894.db2.gz GOMOGHSRGNGRMR-UHFFFAOYSA-N 1 3 321.509 2.587 20 0 DFADHO COCC1(CNCc2nc3ccc(F)cc3s2)CC[NH2+]CC1 ZINC000414982524 295843911 /nfs/dbraw/zinc/84/39/11/295843911.db2.gz YHCLCKIINCCCDX-UHFFFAOYSA-N 1 3 323.437 2.541 20 0 DFADHO CC(C)N(C(=O)CN1CCC(C[N@H+](C)C(C)C)CC1)C(C)C ZINC000590787070 398675389 /nfs/dbraw/zinc/67/53/89/398675389.db2.gz WATUGBBFDIZGER-UHFFFAOYSA-N 1 3 311.514 2.684 20 0 DFADHO CC(C)N(C(=O)CN1CCC(C[N@@H+](C)C(C)C)CC1)C(C)C ZINC000590787070 398675390 /nfs/dbraw/zinc/67/53/90/398675390.db2.gz WATUGBBFDIZGER-UHFFFAOYSA-N 1 3 311.514 2.684 20 0 DFADHO COc1ccc(OC(F)F)c(CN[C@H](C)CCCC[NH3+])c1 ZINC000415007710 295846603 /nfs/dbraw/zinc/84/66/03/295846603.db2.gz CADKNJGZKFIMOR-LLVKDONJSA-N 1 3 302.365 2.904 20 0 DFADHO [NH3+]C[C@@H]1CC[C@H](NCc2csc(COc3ccccc3)n2)C1 ZINC000415036856 295849556 /nfs/dbraw/zinc/84/95/56/295849556.db2.gz LSUZDARCAHROLE-KGLIPLIRSA-N 1 3 317.458 2.939 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2cnc(C(F)(F)F)s2)C1 ZINC000459794938 299195017 /nfs/dbraw/zinc/19/50/17/299195017.db2.gz VBOAZXLLAAUXRA-SNVBAGLBSA-N 1 3 307.385 2.983 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2cnc(C(F)(F)F)s2)C1 ZINC000459794938 299195018 /nfs/dbraw/zinc/19/50/18/299195018.db2.gz VBOAZXLLAAUXRA-SNVBAGLBSA-N 1 3 307.385 2.983 20 0 DFADHO Fc1ccc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000415074879 295854832 /nfs/dbraw/zinc/85/48/32/295854832.db2.gz AYDBPFPXAXMCGG-FVQBIDKESA-N 1 3 310.388 2.854 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCN(c2ccccn2)C1 ZINC000415079987 295855640 /nfs/dbraw/zinc/85/56/40/295855640.db2.gz IOOIEAJJNYNAKZ-ZACQAIPSSA-N 1 3 302.466 2.561 20 0 DFADHO C/C(=C\c1ccccc1)C[NH2+]CCCN1CCCN(C)CC1 ZINC000105476358 398693579 /nfs/dbraw/zinc/69/35/79/398693579.db2.gz QOWFLQDZVJTYIH-FBMGVBCBSA-N 1 3 301.478 2.707 20 0 DFADHO CCN1CCN(c2ccc(NC3CCC([NH3+])CC3)c(C)c2)CC1 ZINC000415121575 295860770 /nfs/dbraw/zinc/86/07/70/295860770.db2.gz MUIRCZAKZKKLAJ-UHFFFAOYSA-N 1 3 316.493 2.819 20 0 DFADHO COc1ccc(C)cc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415129623 295862088 /nfs/dbraw/zinc/86/20/88/295862088.db2.gz VMMHBHQIVCVORP-PKOBYXMFSA-N 1 3 318.461 2.722 20 0 DFADHO C[NH+]1CCC(C(=O)Nc2cccc(CN3CCCCC3)c2)CC1 ZINC000174608189 198358929 /nfs/dbraw/zinc/35/89/29/198358929.db2.gz XIAIONRYAJYAMS-UHFFFAOYSA-N 1 3 315.461 2.953 20 0 DFADHO CCC[C@@H](CCc1ccccc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000462121413 299222650 /nfs/dbraw/zinc/22/26/50/299222650.db2.gz ONDLNZUFTQKUQZ-SFHVURJKSA-N 1 3 304.478 2.834 20 0 DFADHO CC[NH+](CC)CCCCNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000236845168 202035004 /nfs/dbraw/zinc/03/50/04/202035004.db2.gz HRFXJQUKZVFOQJ-NVXWUHKLSA-N 1 3 305.466 2.561 20 0 DFADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1 ZINC000236871461 202044517 /nfs/dbraw/zinc/04/45/17/202044517.db2.gz STDIEYLCGCFYGA-MRXNPFEDSA-N 1 3 321.465 2.719 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000236888626 202055229 /nfs/dbraw/zinc/05/52/29/202055229.db2.gz KKKDJEPTALZLPI-YOEHRIQHSA-N 1 3 305.466 2.516 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236888626 202055233 /nfs/dbraw/zinc/05/52/33/202055233.db2.gz KKKDJEPTALZLPI-YOEHRIQHSA-N 1 3 305.466 2.516 20 0 DFADHO CCc1ccc([C@H](CNC(=O)C(CC)(CC)C[NH3+])N(C)C)cc1 ZINC000236996615 202115433 /nfs/dbraw/zinc/11/54/33/202115433.db2.gz JVAOTDWFGSDKCH-KRWDZBQOSA-N 1 3 319.493 2.733 20 0 DFADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000237037606 202130303 /nfs/dbraw/zinc/13/03/03/202130303.db2.gz RLTALRHSJVRQFD-CFVMTHIKSA-N 1 3 311.495 2.621 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000237050925 202136398 /nfs/dbraw/zinc/13/63/98/202136398.db2.gz YMKXFWCZIBWQFV-KRWDZBQOSA-N 1 3 311.429 2.738 20 0 DFADHO CCC[C@@H](C)[C@H]1CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135348894 283216254 /nfs/dbraw/zinc/21/62/54/283216254.db2.gz CYFRDXYDHAQKTE-SJLPKXTDSA-N 1 3 323.525 2.876 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@H]1CCN(C)C[C@@H]1C)Cc1ccccc1 ZINC000151726146 283294339 /nfs/dbraw/zinc/29/43/39/283294339.db2.gz KOPGFZBUEQWKOH-IHPCNDPISA-N 1 3 317.521 2.869 20 0 DFADHO CC(C)(C)C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000130177573 398843036 /nfs/dbraw/zinc/84/30/36/398843036.db2.gz NFDIAGJBAYSKPC-UHFFFAOYSA-N 1 3 317.477 2.648 20 0 DFADHO CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)OCCO1 ZINC000180166918 199125916 /nfs/dbraw/zinc/12/59/16/199125916.db2.gz ALUDZGIUVBJIAP-AYHJJNSGSA-N 1 3 316.445 2.535 20 0 DFADHO CC[C@@H](COC)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180166611 199125933 /nfs/dbraw/zinc/12/59/33/199125933.db2.gz XCVPNHCBSZQBKS-CADBVGFASA-N 1 3 302.462 2.912 20 0 DFADHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000467613379 299273928 /nfs/dbraw/zinc/27/39/28/299273928.db2.gz LTINSLFITNSWFO-SJORKVTESA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000467613379 299273930 /nfs/dbraw/zinc/27/39/30/299273930.db2.gz LTINSLFITNSWFO-SJORKVTESA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H]1CCC[C@](CNC(=O)C[C@@H](N)c2ccccc2)([NH+](C)C)C1 ZINC000237367340 202245410 /nfs/dbraw/zinc/24/54/10/202245410.db2.gz ZDKZKBXNQRVTDX-SUMDDJOVSA-N 1 3 317.477 2.703 20 0 DFADHO CC[N@H+](CCCN[C@H](C)[C@@H]1C[C@@H]1C(=O)OC)C1CCCCC1 ZINC000594944686 398878534 /nfs/dbraw/zinc/87/85/34/398878534.db2.gz BCLCFDXBWCIUOW-PVAVHDDUSA-N 1 3 310.482 2.818 20 0 DFADHO CC[N@@H+](CCCN[C@H](C)[C@@H]1C[C@@H]1C(=O)OC)C1CCCCC1 ZINC000594944686 398878537 /nfs/dbraw/zinc/87/85/37/398878537.db2.gz BCLCFDXBWCIUOW-PVAVHDDUSA-N 1 3 310.482 2.818 20 0 DFADHO C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N1CCCCCC1 ZINC000175953510 283416008 /nfs/dbraw/zinc/41/60/08/283416008.db2.gz WHMSGYCRTCZOGF-ROUUACIJSA-N 1 3 321.509 2.728 20 0 DFADHO c1cc(CCCN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000281015204 216024029 /nfs/dbraw/zinc/02/40/29/216024029.db2.gz YYHAASUFGLLRTI-ROUUACIJSA-N 1 3 300.446 2.771 20 0 DFADHO c1cc(CCCN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000281015204 216024030 /nfs/dbraw/zinc/02/40/30/216024030.db2.gz YYHAASUFGLLRTI-ROUUACIJSA-N 1 3 300.446 2.771 20 0 DFADHO COC(=O)CC1CCC([NH2+]CCCN2CCCC[C@H]2C)CC1 ZINC000599021991 398909249 /nfs/dbraw/zinc/90/92/49/398909249.db2.gz MRFSSFLPNKRCNW-KLAILNCOSA-N 1 3 310.482 2.962 20 0 DFADHO CCC[C@@H](C)[NH+]1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000187677603 200143422 /nfs/dbraw/zinc/14/34/22/200143422.db2.gz LXWWBERJGBJDNY-GOSISDBHSA-N 1 3 303.494 2.925 20 0 DFADHO COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c(OC)c1 ZINC000148720596 398915949 /nfs/dbraw/zinc/91/59/49/398915949.db2.gz QJTYTVCHQCHNQD-MQVJKMGUSA-N 1 3 304.434 2.809 20 0 DFADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCn1cccn1 ZINC000471835199 299309589 /nfs/dbraw/zinc/30/95/89/299309589.db2.gz UTUCBEBWTZCZPY-RTBURBONSA-N 1 3 312.461 2.555 20 0 DFADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCn1cccn1 ZINC000471835199 299309591 /nfs/dbraw/zinc/30/95/91/299309591.db2.gz UTUCBEBWTZCZPY-RTBURBONSA-N 1 3 312.461 2.555 20 0 DFADHO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1CCn1cccn1 ZINC000471835199 299309592 /nfs/dbraw/zinc/30/95/92/299309592.db2.gz UTUCBEBWTZCZPY-RTBURBONSA-N 1 3 312.461 2.555 20 0 DFADHO CN(c1ccccc1C[NH2+][C@@H]1CCSC1)C1CCN(C)CC1 ZINC000271958752 209339663 /nfs/dbraw/zinc/33/96/63/209339663.db2.gz TXZQAGMAWXRCLD-MRXNPFEDSA-N 1 3 319.518 2.812 20 0 DFADHO C[C@H](CCC[NH3+])NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417621235 296036293 /nfs/dbraw/zinc/03/62/93/296036293.db2.gz HBKKEPQTQSIEAF-CABCVRRESA-N 1 3 320.481 2.542 20 0 DFADHO COC(=O)[C@@](C)(CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600150591 398972777 /nfs/dbraw/zinc/97/27/77/398972777.db2.gz FDHDPVPMYQHFLL-LPHOPBHVSA-N 1 3 318.461 2.580 20 0 DFADHO COC(=O)[C@@](C)(CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600150591 398972780 /nfs/dbraw/zinc/97/27/80/398972780.db2.gz FDHDPVPMYQHFLL-LPHOPBHVSA-N 1 3 318.461 2.580 20 0 DFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(O)c1 ZINC000194872403 201303826 /nfs/dbraw/zinc/30/38/26/201303826.db2.gz RIWOLJXUPCDYAR-OAGGEKHMSA-N 1 3 306.450 2.932 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000621621883 398998271 /nfs/dbraw/zinc/99/82/71/398998271.db2.gz MZIQFPLCFRLJFD-MAUKXSAKSA-N 1 3 317.477 2.706 20 0 DFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000417812356 296053796 /nfs/dbraw/zinc/05/37/96/296053796.db2.gz LEIDLRJNJJYIBJ-HOTGVXAUSA-N 1 3 305.466 2.544 20 0 DFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(CO)c1 ZINC000271838400 209258829 /nfs/dbraw/zinc/25/88/29/209258829.db2.gz BFUAEZSEBBSPTK-BRWVUGGUSA-N 1 3 320.477 2.719 20 0 DFADHO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475033369 299341036 /nfs/dbraw/zinc/34/10/36/299341036.db2.gz JHWIGIZVYNBEFC-KBAYOESNSA-N 1 3 317.477 2.526 20 0 DFADHO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475033369 299341039 /nfs/dbraw/zinc/34/10/39/299341039.db2.gz JHWIGIZVYNBEFC-KBAYOESNSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H](N)c1ccccc1 ZINC000417849671 296057734 /nfs/dbraw/zinc/05/77/34/296057734.db2.gz LPONWWJZYXQXKV-ZOBUZTSGSA-N 1 3 317.477 2.594 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000621651888 399008671 /nfs/dbraw/zinc/00/86/71/399008671.db2.gz RUZKKJOCXJPQQL-QLFBSQMISA-N 1 3 318.465 2.551 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000621651888 399008675 /nfs/dbraw/zinc/00/86/75/399008675.db2.gz RUZKKJOCXJPQQL-QLFBSQMISA-N 1 3 318.465 2.551 20 0 DFADHO CN(C)CCN(CC1CCCCC1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621659326 399012841 /nfs/dbraw/zinc/01/28/41/399012841.db2.gz GYXXRHDKHRFQRK-KRWDZBQOSA-N 1 3 323.525 2.737 20 0 DFADHO CN1CC=C(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000271800001 209226323 /nfs/dbraw/zinc/22/63/23/209226323.db2.gz IPQUBPWZSJMKGK-UHFFFAOYSA-N 1 3 310.401 2.620 20 0 DFADHO C[N@H+]1CC=C(CNCc2ccc(Oc3cnccn3)cc2)CC1 ZINC000271800001 209226327 /nfs/dbraw/zinc/22/63/27/209226327.db2.gz IPQUBPWZSJMKGK-UHFFFAOYSA-N 1 3 310.401 2.620 20 0 DFADHO C[N@@H+]1CC=C(CNCc2ccc(Oc3cnccn3)cc2)CC1 ZINC000271800001 209226330 /nfs/dbraw/zinc/22/63/30/209226330.db2.gz IPQUBPWZSJMKGK-UHFFFAOYSA-N 1 3 310.401 2.620 20 0 DFADHO COC(=O)[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)[C@H]2CCCC[C@H]12 ZINC000595734607 399061655 /nfs/dbraw/zinc/06/16/55/399061655.db2.gz UJJJNDBLVFFCPO-HZMVEIRTSA-N 1 3 308.466 2.524 20 0 DFADHO COC(=O)[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)[C@H]2CCCC[C@H]12 ZINC000595734607 399061660 /nfs/dbraw/zinc/06/16/60/399061660.db2.gz UJJJNDBLVFFCPO-HZMVEIRTSA-N 1 3 308.466 2.524 20 0 DFADHO CN1CC=C(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000271770110 209200492 /nfs/dbraw/zinc/20/04/92/209200492.db2.gz BJCPDELWMAETKS-UHFFFAOYSA-N 1 3 318.371 2.706 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000079655167 399072556 /nfs/dbraw/zinc/07/25/56/399072556.db2.gz OGDBPEIGFHYLKZ-SFHVURJKSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000261737104 203105911 /nfs/dbraw/zinc/10/59/11/203105911.db2.gz LLAPMFMDIPDPBA-BHYGNILZSA-N 1 3 317.477 2.750 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262138078 203208809 /nfs/dbraw/zinc/20/88/09/203208809.db2.gz LNUAXVSODHIPPU-CRAIPNDOSA-N 1 3 317.477 2.805 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000262138078 203208812 /nfs/dbraw/zinc/20/88/12/203208812.db2.gz LNUAXVSODHIPPU-CRAIPNDOSA-N 1 3 317.477 2.805 20 0 DFADHO COC(=O)c1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000595895938 399126421 /nfs/dbraw/zinc/12/64/21/399126421.db2.gz WQYQEMGVJSXBHF-LSDHHAIUSA-N 1 3 322.474 2.746 20 0 DFADHO C[C@H](C(=O)NCCC[NH2+]C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000419909513 296151297 /nfs/dbraw/zinc/15/12/97/296151297.db2.gz MHMBIRKPTHAOIQ-OWCLPIDISA-N 1 3 309.498 2.676 20 0 DFADHO O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CCCN1C1CCCC1 ZINC000419922357 296151693 /nfs/dbraw/zinc/15/16/93/296151693.db2.gz OUVGQUHYBMNFEM-SFHVURJKSA-N 1 3 321.509 2.822 20 0 DFADHO C[C@@H](C(=O)NCCC[NH2+]C1CCCCC1)N1CCCCCC1 ZINC000419919724 296151707 /nfs/dbraw/zinc/15/17/07/296151707.db2.gz LNMZUIYDTSXGML-INIZCTEOSA-N 1 3 309.498 2.680 20 0 DFADHO CSC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274964652 212046540 /nfs/dbraw/zinc/04/65/40/212046540.db2.gz XFKATDJSDFTTNO-RYQLBKOJSA-N 1 3 322.518 2.601 20 0 DFADHO CCOc1cc2nccc(N3CCC[C@@H]([NH3+])C3)c2cc1OCC ZINC000420111240 296158881 /nfs/dbraw/zinc/15/88/81/296158881.db2.gz GIHOQAFHOVIPLI-CYBMUJFWSA-N 1 3 315.417 2.960 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(Cl)cn2)CC1 ZINC000274907605 212025743 /nfs/dbraw/zinc/02/57/43/212025743.db2.gz MLRABLWOUPZXMH-OAHLLOKOSA-N 1 3 324.900 2.803 20 0 DFADHO CCCc1ccc2nccc(N3CCN([C@@H]4CC[NH2+]C4)CC3)c2c1 ZINC000420267840 296167503 /nfs/dbraw/zinc/16/75/03/296167503.db2.gz WZEIILYNPBHZCL-QGZVFWFLSA-N 1 3 324.472 2.671 20 0 DFADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420279926 296168649 /nfs/dbraw/zinc/16/86/49/296168649.db2.gz XTXASAQXVIHMTO-SWLSCSKDSA-N 1 3 309.841 2.870 20 0 DFADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420279926 296168650 /nfs/dbraw/zinc/16/86/50/296168650.db2.gz XTXASAQXVIHMTO-SWLSCSKDSA-N 1 3 309.841 2.870 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCN)[C@@H]2CCCC[C@H]12 ZINC000420302082 296171636 /nfs/dbraw/zinc/17/16/36/296171636.db2.gz LZPAKPHMULSZLA-FIDHJVLJSA-N 1 3 309.498 2.519 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCN)[C@@H]2CCCC[C@H]12 ZINC000420302082 296171637 /nfs/dbraw/zinc/17/16/37/296171637.db2.gz LZPAKPHMULSZLA-FIDHJVLJSA-N 1 3 309.498 2.519 20 0 DFADHO Cc1cccc(NC(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)c1C ZINC000420312541 296173234 /nfs/dbraw/zinc/17/32/34/296173234.db2.gz SIKDNVQHEQLWEQ-MRXNPFEDSA-N 1 3 315.461 2.706 20 0 DFADHO CCOc1ccccc1N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420309393 296173016 /nfs/dbraw/zinc/17/30/16/296173016.db2.gz TUAMELSCTZFALT-KRWDZBQOSA-N 1 3 317.477 2.597 20 0 DFADHO CC[N@H+](CCCN)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000420315623 296174213 /nfs/dbraw/zinc/17/42/13/296174213.db2.gz LAGFHCJADLPIAC-UHFFFAOYSA-N 1 3 319.497 2.548 20 0 DFADHO CC[N@@H+](CCCN)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000420315623 296174214 /nfs/dbraw/zinc/17/42/14/296174214.db2.gz LAGFHCJADLPIAC-UHFFFAOYSA-N 1 3 319.497 2.548 20 0 DFADHO CCN(CCC[NH3+])C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000420315623 296174216 /nfs/dbraw/zinc/17/42/16/296174216.db2.gz LAGFHCJADLPIAC-UHFFFAOYSA-N 1 3 319.497 2.548 20 0 DFADHO COc1ccc([C@H](C)C[NH+]2CCC(N(C)CCCO)CC2)cc1 ZINC000271744221 209174854 /nfs/dbraw/zinc/17/48/54/209174854.db2.gz AOKOJWZUBFBSGC-MRXNPFEDSA-N 1 3 320.477 2.577 20 0 DFADHO COc1ccc(OC)c(CN(CC[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420324552 296175207 /nfs/dbraw/zinc/17/52/07/296175207.db2.gz VQIFGPPXMJJMHB-AWEZNQCLSA-N 1 3 304.434 2.668 20 0 DFADHO Cc1ccccc1[C@H](C)[N@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420325872 296175733 /nfs/dbraw/zinc/17/57/33/296175733.db2.gz WWTAPBUONHZRDC-VDGAXYAQSA-N 1 3 312.457 2.919 20 0 DFADHO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420325872 296175734 /nfs/dbraw/zinc/17/57/34/296175734.db2.gz WWTAPBUONHZRDC-VDGAXYAQSA-N 1 3 312.457 2.919 20 0 DFADHO CC[NH+](CC)CCOC1CCN(CCOc2ccccc2)CC1 ZINC000080645838 399165856 /nfs/dbraw/zinc/16/58/56/399165856.db2.gz WUQPCTYOBRRFJG-UHFFFAOYSA-N 1 3 320.477 2.888 20 0 DFADHO COC(=O)c1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)s1 ZINC000420338906 296177446 /nfs/dbraw/zinc/17/74/46/296177446.db2.gz YGYGHTWLWNTGHF-UONOGXRCSA-N 1 3 322.474 2.665 20 0 DFADHO CN1CCC[C@H]1CC[N@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341929120 284293690 /nfs/dbraw/zinc/29/36/90/284293690.db2.gz BGPSKMJTYNBGOS-SFHVURJKSA-N 1 3 302.462 2.745 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341929120 284293691 /nfs/dbraw/zinc/29/36/91/284293691.db2.gz BGPSKMJTYNBGOS-SFHVURJKSA-N 1 3 302.462 2.745 20 0 DFADHO CCc1ccccc1NC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420342398 296177879 /nfs/dbraw/zinc/17/78/79/296177879.db2.gz QTAUGAZKGHMAJZ-OIISXLGYSA-N 1 3 315.461 2.507 20 0 DFADHO CCc1ccc(NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420347380 296178505 /nfs/dbraw/zinc/17/85/05/296178505.db2.gz YILFXYXRAZWWKS-BHYGNILZSA-N 1 3 315.461 2.507 20 0 DFADHO Cc1cccc(NC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420347149 296178572 /nfs/dbraw/zinc/17/85/72/296178572.db2.gz XRIYZECWOTTZDF-ZACQAIPSSA-N 1 3 315.461 2.562 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCC2 ZINC000282506281 217049093 /nfs/dbraw/zinc/04/90/93/217049093.db2.gz YNYIXVUCDRHZEI-LJQANCHMSA-N 1 3 315.505 2.988 20 0 DFADHO CC1(C)CNCC[C@@H]1[NH2+]CCOc1ccc(F)cc1Cl ZINC000420355969 296179113 /nfs/dbraw/zinc/17/91/13/296179113.db2.gz FVXHFLPDOJZTQQ-AWEZNQCLSA-N 1 3 300.805 2.836 20 0 DFADHO C[C@@H](c1ccsc1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420362002 296180533 /nfs/dbraw/zinc/18/05/33/296180533.db2.gz AAXISLIREWVMRN-HOTGVXAUSA-N 1 3 307.507 2.816 20 0 DFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2c2cccnc2)cc1 ZINC000420364971 296180865 /nfs/dbraw/zinc/18/08/65/296180865.db2.gz RQMZKTJBNWKWKA-IEBWSBKVSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000420364971 296180866 /nfs/dbraw/zinc/18/08/66/296180866.db2.gz RQMZKTJBNWKWKA-IEBWSBKVSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000420364971 296180867 /nfs/dbraw/zinc/18/08/67/296180867.db2.gz RQMZKTJBNWKWKA-IEBWSBKVSA-N 1 3 311.429 2.970 20 0 DFADHO C[C@H]([NH2+]C[C@H](O)[C@@H](N)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000420377052 296182563 /nfs/dbraw/zinc/18/25/63/296182563.db2.gz RMGPXSGKVYQMBN-KKXDTOCCSA-N 1 3 318.848 2.922 20 0 DFADHO c1ccc(CCOCCCN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420376403 296182858 /nfs/dbraw/zinc/18/28/58/296182858.db2.gz OYOAMDVITJIKBS-IBGZPJMESA-N 1 3 302.462 2.711 20 0 DFADHO Cn1c2ccccc2nc1CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420378069 296183327 /nfs/dbraw/zinc/18/33/27/296183327.db2.gz BBWLAKZYJNYAMB-RDJZCZTQSA-N 1 3 312.461 2.580 20 0 DFADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420383277 296183896 /nfs/dbraw/zinc/18/38/96/296183896.db2.gz FNYDQPVJAIDGAZ-OQIJWPOYSA-N 1 3 324.509 2.800 20 0 DFADHO c1cc(CCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000420390911 296184958 /nfs/dbraw/zinc/18/49/58/296184958.db2.gz HYQIYNQMLALTQN-ZWKOTPCHSA-N 1 3 300.446 2.628 20 0 DFADHO CSc1ccccc1NC(=O)CCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420395612 296185672 /nfs/dbraw/zinc/18/56/72/296185672.db2.gz DODIFRURUGGBAR-ZIAGYGMSSA-N 1 3 321.490 2.654 20 0 DFADHO C[NH+](C)CCOc1ccccc1CNC/C=C/c1ccncc1 ZINC000486965024 299434824 /nfs/dbraw/zinc/43/48/24/299434824.db2.gz CKLAEYOTFLQZHL-AATRIKPKSA-N 1 3 311.429 2.825 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC23CCC3)C1 ZINC000282763384 217233332 /nfs/dbraw/zinc/23/33/32/217233332.db2.gz OKCPPZHNPGGQHX-MSOLQXFVSA-N 1 3 300.446 2.676 20 0 DFADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000618660377 399200929 /nfs/dbraw/zinc/20/09/29/399200929.db2.gz JMZMHYQAMXCHFN-YYIAUSFCSA-N 1 3 321.509 2.771 20 0 DFADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000618660377 399200933 /nfs/dbraw/zinc/20/09/33/399200933.db2.gz JMZMHYQAMXCHFN-YYIAUSFCSA-N 1 3 321.509 2.771 20 0 DFADHO COC(=O)[C@H]1CC[C@@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000365308434 284381644 /nfs/dbraw/zinc/38/16/44/284381644.db2.gz QGKJZBQFMFDFIU-CWLKWCNXSA-N 1 3 322.493 2.961 20 0 DFADHO COC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000365308434 284381648 /nfs/dbraw/zinc/38/16/48/284381648.db2.gz QGKJZBQFMFDFIU-CWLKWCNXSA-N 1 3 322.493 2.961 20 0 DFADHO CC[NH+]1CCC(N2CCCN(Cc3cccc(F)c3)CC2)CC1 ZINC000421013380 296225174 /nfs/dbraw/zinc/22/51/74/296225174.db2.gz QWKQFYHVKGBTCT-UHFFFAOYSA-N 1 3 319.468 2.818 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000622596882 399261794 /nfs/dbraw/zinc/26/17/94/399261794.db2.gz MTVSMKZGOBDMJS-SFHVURJKSA-N 1 3 323.525 2.975 20 0 DFADHO CCN1CCN(CCC[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421342422 296245826 /nfs/dbraw/zinc/24/58/26/296245826.db2.gz NIYOMFBQXOLHJN-UHFFFAOYSA-N 1 3 301.478 2.681 20 0 DFADHO C[NH+](C)C1CCC(NCc2ncc(Br)s2)CC1 ZINC000421372808 296249991 /nfs/dbraw/zinc/24/99/91/296249991.db2.gz MUIYVINOVJECBC-UHFFFAOYSA-N 1 3 318.284 2.868 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(Cl)s2)CC1 ZINC000344643441 284664017 /nfs/dbraw/zinc/66/40/17/284664017.db2.gz VIMGHFBZPKGUHI-UHFFFAOYSA-N 1 3 302.871 2.726 20 0 DFADHO CN1CC[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)CC1(C)C ZINC000623357578 399371193 /nfs/dbraw/zinc/37/11/93/399371193.db2.gz WPLWXWFJKQFKQH-MRXNPFEDSA-N 1 3 315.461 2.776 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C1([NH3+])CCCC1)c1ccsc1 ZINC000236818962 284766605 /nfs/dbraw/zinc/76/66/05/284766605.db2.gz KRXMSSYMBXBXHK-AWEZNQCLSA-N 1 3 309.479 2.519 20 0 DFADHO COCCOc1cccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000623361856 399373022 /nfs/dbraw/zinc/37/30/22/399373022.db2.gz TVZOYHGUKVVGNR-MRXNPFEDSA-N 1 3 306.450 2.674 20 0 DFADHO Cc1cccn2cc(CCN[C@H]3CC[N@@H+](C)C(C)(C)C3)nc12 ZINC000623438319 399389454 /nfs/dbraw/zinc/38/94/54/399389454.db2.gz VOQIOFQJRPPUSQ-HNNXBMFYSA-N 1 3 300.450 2.648 20 0 DFADHO Cc1cccn2cc(CCN[C@H]3CC[N@H+](C)C(C)(C)C3)nc12 ZINC000623438319 399389458 /nfs/dbraw/zinc/38/94/58/399389458.db2.gz VOQIOFQJRPPUSQ-HNNXBMFYSA-N 1 3 300.450 2.648 20 0 DFADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccccc2)CC1 ZINC000109786640 194284339 /nfs/dbraw/zinc/28/43/39/194284339.db2.gz IUSCENCXHAHKIM-UHFFFAOYSA-N 1 3 303.450 2.821 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000268813898 206979384 /nfs/dbraw/zinc/97/93/84/206979384.db2.gz LNQUYTSEPUQMLW-HZPDHXFCSA-N 1 3 317.477 2.675 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000268813898 206979386 /nfs/dbraw/zinc/97/93/86/206979386.db2.gz LNQUYTSEPUQMLW-HZPDHXFCSA-N 1 3 317.477 2.675 20 0 DFADHO C[NH+](C)C1CCN(CCNCc2ccc(Cl)s2)CC1 ZINC000053382937 183900625 /nfs/dbraw/zinc/90/06/25/183900625.db2.gz HXRNEASJHJDKKM-UHFFFAOYSA-N 1 3 301.887 2.517 20 0 DFADHO C[C@H]([NH2+]CCOCC1CC1)c1ccc(OCCN(C)C)cc1 ZINC000268854359 207022897 /nfs/dbraw/zinc/02/28/97/207022897.db2.gz COXXBARZSCTDAI-HNNXBMFYSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@H](NCCOCC1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268854359 207022902 /nfs/dbraw/zinc/02/29/02/207022902.db2.gz COXXBARZSCTDAI-HNNXBMFYSA-N 1 3 306.450 2.704 20 0 DFADHO CN1CC[C@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475523 399397509 /nfs/dbraw/zinc/39/75/09/399397509.db2.gz PZAZQMUGPCOEAE-BZSNNMDCSA-N 1 3 301.478 2.894 20 0 DFADHO CN1CC[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475523 399397511 /nfs/dbraw/zinc/39/75/11/399397511.db2.gz PZAZQMUGPCOEAE-BZSNNMDCSA-N 1 3 301.478 2.894 20 0 DFADHO CN1CC[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475523 399397513 /nfs/dbraw/zinc/39/75/13/399397513.db2.gz PZAZQMUGPCOEAE-BZSNNMDCSA-N 1 3 301.478 2.894 20 0 DFADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000422625042 296316351 /nfs/dbraw/zinc/31/63/51/296316351.db2.gz AKGJGJGMTNNTLF-MCIONIFRSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1CN ZINC000422625042 296316352 /nfs/dbraw/zinc/31/63/52/296316352.db2.gz AKGJGJGMTNNTLF-MCIONIFRSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1CN ZINC000422625042 296316354 /nfs/dbraw/zinc/31/63/54/296316354.db2.gz AKGJGJGMTNNTLF-MCIONIFRSA-N 1 3 323.868 2.974 20 0 DFADHO CCN(CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000268895308 207064832 /nfs/dbraw/zinc/06/48/32/207064832.db2.gz ZUVPCYTYIWSCPY-YLJYHZDGSA-N 1 3 315.505 2.971 20 0 DFADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)COC)cc1OC ZINC000268901899 207071736 /nfs/dbraw/zinc/07/17/36/207071736.db2.gz WVTVJHIKZSYHRT-OAHLLOKOSA-N 1 3 324.465 2.540 20 0 DFADHO COc1ccc(CCC[NH2+][C@H]2CCCC[C@H]2CN)cc1OC ZINC000422699166 296318284 /nfs/dbraw/zinc/31/82/84/296318284.db2.gz AHEXUUPDTBLVPX-HOTGVXAUSA-N 1 3 306.450 2.744 20 0 DFADHO CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268921903 207089896 /nfs/dbraw/zinc/08/98/96/207089896.db2.gz WVSYAZHJONBJFY-CRAIPNDOSA-N 1 3 308.466 2.829 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC(C)(C)N1CCc2ccccc2C1 ZINC000422704180 296318827 /nfs/dbraw/zinc/31/88/27/296318827.db2.gz OTGDEBSMJCJVLF-VQIMIIECSA-N 1 3 315.505 2.801 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(COC2CCOCC2)c1 ZINC000422713429 296320236 /nfs/dbraw/zinc/32/02/36/296320236.db2.gz PRCZYXUZNLTZDV-HKUYNNGSSA-N 1 3 318.461 2.599 20 0 DFADHO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC(CC[NH+](C)C)CC1 ZINC000056523664 184014898 /nfs/dbraw/zinc/01/48/98/184014898.db2.gz LEMKIBDDNSSTKE-BRWVUGGUSA-N 1 3 323.525 2.828 20 0 DFADHO c1ccc([C@@H]2C[C@@H]([NH2+]C3CCN(CC4CC4)CC3)CCN2)cc1 ZINC000422710605 296319855 /nfs/dbraw/zinc/31/98/55/296319855.db2.gz FDHBNONWWAPFOQ-PMACEKPBSA-N 1 3 313.489 2.944 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422715317 296320590 /nfs/dbraw/zinc/32/05/90/296320590.db2.gz JBPBEMUIDSVZHV-LPHOPBHVSA-N 1 3 319.468 2.897 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422715319 296320605 /nfs/dbraw/zinc/32/06/05/296320605.db2.gz JBPBEMUIDSVZHV-VQIMIIECSA-N 1 3 319.468 2.897 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422714457 296320733 /nfs/dbraw/zinc/32/07/33/296320733.db2.gz RARAVYOFGVOOBV-WJFTUGDTSA-N 1 3 319.468 2.939 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000422726148 296322228 /nfs/dbraw/zinc/32/22/28/296322228.db2.gz DGHHXZPXSVTBHB-MOPGFXCFSA-N 1 3 301.478 2.901 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1(C(=O)N(C)C)CCCC1 ZINC000422730588 296323134 /nfs/dbraw/zinc/32/31/34/296323134.db2.gz MFPLCUHMLAPTOE-HZPDHXFCSA-N 1 3 309.498 2.535 20 0 DFADHO C[C@@H](N[C@@H](C)CC[NH+](C)C)c1cccc(N2CCOCC2)c1 ZINC000268995763 207152625 /nfs/dbraw/zinc/15/26/25/207152625.db2.gz KNCHSFQGNYBWIP-JKSUJKDBSA-N 1 3 305.466 2.514 20 0 DFADHO CO[C@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C(C)C ZINC000269011557 207163264 /nfs/dbraw/zinc/16/32/64/207163264.db2.gz XNQLOJZECYAILT-MAUKXSAKSA-N 1 3 308.466 2.949 20 0 DFADHO CN1CCCC[C@@H](C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000623655829 399436847 /nfs/dbraw/zinc/43/68/47/399436847.db2.gz GSVGXOFVSJLFLQ-INIZCTEOSA-N 1 3 323.525 2.735 20 0 DFADHO CN1CCCC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000623657219 399436886 /nfs/dbraw/zinc/43/68/86/399436886.db2.gz LNESLFHNWVVXRJ-QGZVFWFLSA-N 1 3 301.478 2.977 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623655644 399437168 /nfs/dbraw/zinc/43/71/68/399437168.db2.gz AZOAMXRMCGLOAM-JKSUJKDBSA-N 1 3 303.450 2.725 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623655644 399437174 /nfs/dbraw/zinc/43/71/74/399437174.db2.gz AZOAMXRMCGLOAM-JKSUJKDBSA-N 1 3 303.450 2.725 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623655644 399437179 /nfs/dbraw/zinc/43/71/79/399437179.db2.gz AZOAMXRMCGLOAM-JKSUJKDBSA-N 1 3 303.450 2.725 20 0 DFADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000623723961 399451579 /nfs/dbraw/zinc/45/15/79/399451579.db2.gz LYFYZMDXCQCZEA-OIPACUDHSA-N 1 3 306.450 2.529 20 0 DFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422735510 296323657 /nfs/dbraw/zinc/32/36/57/296323657.db2.gz DZZJAKFGCCPALP-BVPBIZIASA-N 1 3 306.425 2.676 20 0 DFADHO c1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422736460 296323817 /nfs/dbraw/zinc/32/38/17/296323817.db2.gz YBRKXKLAAHMXRA-ZSYWTGECSA-N 1 3 300.446 2.811 20 0 DFADHO c1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422736456 296323903 /nfs/dbraw/zinc/32/39/03/296323903.db2.gz YBRKXKLAAHMXRA-AKHDSKFASA-N 1 3 300.446 2.811 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000422737263 296323952 /nfs/dbraw/zinc/32/39/52/296323952.db2.gz ZKLJERWRYCLRSO-QRQLOZEOSA-N 1 3 301.478 2.801 20 0 DFADHO CC[C@H]([NH2+]CCN1CCc2sccc2C1)[C@H]1CCCCN1 ZINC000422738505 296324157 /nfs/dbraw/zinc/32/41/57/296324157.db2.gz JMPWAHBVDGZJIF-JKSUJKDBSA-N 1 3 307.507 2.617 20 0 DFADHO c1cn(-c2cccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2)cn1 ZINC000422742396 296324855 /nfs/dbraw/zinc/32/48/55/296324855.db2.gz GFSCSTADGDJRTN-IPMKNSEASA-N 1 3 310.445 2.883 20 0 DFADHO COc1ccccc1[C@H](CN[C@@H]1CCC[NH2+]CC1)N1CCCC1 ZINC000422748637 296325818 /nfs/dbraw/zinc/32/58/18/296325818.db2.gz VMAIWVSRSYHCTR-AEFFLSMTSA-N 1 3 317.477 2.564 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422751975 296326495 /nfs/dbraw/zinc/32/64/95/296326495.db2.gz DJUYKKUMJZPZRA-QAPCUYQASA-N 1 3 320.452 2.852 20 0 DFADHO C[C@H](Cc1cccc(Br)c1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000422751276 296326498 /nfs/dbraw/zinc/32/64/98/296326498.db2.gz BCTKDWITYRVULW-YRGRVCCFSA-N 1 3 311.267 2.968 20 0 DFADHO COc1cccc(N2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422753948 296327087 /nfs/dbraw/zinc/32/70/87/296327087.db2.gz FMPWUTJYSGJJOF-LVYZTWJOSA-N 1 3 315.461 2.537 20 0 DFADHO C[C@@H](NCC1(c2cccc(Cl)c2)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000422755443 296327296 /nfs/dbraw/zinc/32/72/96/296327296.db2.gz HTFSDPBXOCELMJ-CABCVRRESA-N 1 3 322.880 2.976 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000422754938 296327359 /nfs/dbraw/zinc/32/73/59/296327359.db2.gz GJQSDQOAJLPYEV-UXLLHSPISA-N 1 3 305.441 2.691 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ccccc1F ZINC000422762629 296328824 /nfs/dbraw/zinc/32/88/24/296328824.db2.gz SFDDXYFGUJPJDA-GFCCVEGCSA-N 1 3 303.381 2.717 20 0 DFADHO COc1ccc([C@H](CN[C@@H](C)C[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000422764197 296329197 /nfs/dbraw/zinc/32/91/97/296329197.db2.gz UWFDYSJMYDWVRX-VKJFTORMSA-N 1 3 305.466 2.548 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000422775243 296330983 /nfs/dbraw/zinc/33/09/83/296330983.db2.gz AURSVGJZBCBZHC-WMLDXEAASA-N 1 3 313.445 2.666 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccccc1C(F)(F)F ZINC000422778670 296331729 /nfs/dbraw/zinc/33/17/29/296331729.db2.gz HVUYRLAUIZTEFB-ZKYQVNSYSA-N 1 3 302.340 2.547 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000422781640 296332099 /nfs/dbraw/zinc/33/20/99/296332099.db2.gz LZGZOOMMWYASEP-NEWSRXKRSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000422781640 296332100 /nfs/dbraw/zinc/33/21/00/296332100.db2.gz LZGZOOMMWYASEP-NEWSRXKRSA-N 1 3 301.478 2.629 20 0 DFADHO CCO[C@@H]1C[C@H](N[C@H](Cc2ccccc2)[C@H](C)[NH3+])C12CCC2 ZINC000422787271 296332535 /nfs/dbraw/zinc/33/25/35/296332535.db2.gz UKZQGDFIXIEXPT-XOYOTBSWSA-N 1 3 302.462 2.882 20 0 DFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1cccs1 ZINC000422786606 296332722 /nfs/dbraw/zinc/33/27/22/296332722.db2.gz SVFAQBVHWNPXSJ-PQEBFOHHSA-N 1 3 308.491 2.673 20 0 DFADHO Cc1cccc(O[C@H](C)CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422787996 296332893 /nfs/dbraw/zinc/33/28/93/296332893.db2.gz MVQNALJUNPITSM-NXWXRZEISA-N 1 3 318.461 2.509 20 0 DFADHO C[C@@H](NCC1(c2ccccc2Br)CC1)C1C[NH2+]C1 ZINC000422788694 296333078 /nfs/dbraw/zinc/33/30/78/296333078.db2.gz SSNUPEULFFNXHV-LLVKDONJSA-N 1 3 309.251 2.678 20 0 DFADHO C[C@@H]([NH2+]CC1(c2ccccc2Br)CC1)C1CNC1 ZINC000422788694 296333081 /nfs/dbraw/zinc/33/30/81/296333081.db2.gz SSNUPEULFFNXHV-LLVKDONJSA-N 1 3 309.251 2.678 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCOCC1CCOCC1 ZINC000422791936 296333719 /nfs/dbraw/zinc/33/37/19/296333719.db2.gz WPAZGGHBLMOOMO-SJLPKXTDSA-N 1 3 312.498 2.720 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCOCC1CCOCC1 ZINC000422791934 296333800 /nfs/dbraw/zinc/33/38/00/296333800.db2.gz WPAZGGHBLMOOMO-AEFFLSMTSA-N 1 3 312.498 2.720 20 0 DFADHO O=C(CNCC1CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000269247786 207381956 /nfs/dbraw/zinc/38/19/56/207381956.db2.gz MYONNVKQLQCRDO-UHFFFAOYSA-N 1 3 315.461 2.653 20 0 DFADHO CCN(CC)[C@@H](CN[C@@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000422794834 296334083 /nfs/dbraw/zinc/33/40/83/296334083.db2.gz GYVQVPZKBZWIDT-MJGOQNOKSA-N 1 3 319.493 2.810 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000269249290 207384947 /nfs/dbraw/zinc/38/49/47/207384947.db2.gz XIDRIGNKGBXTGQ-MAUKXSAKSA-N 1 3 317.477 2.661 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000269249290 207384953 /nfs/dbraw/zinc/38/49/53/207384953.db2.gz XIDRIGNKGBXTGQ-MAUKXSAKSA-N 1 3 317.477 2.661 20 0 DFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H](N)C(C)C)c1 ZINC000269253085 207391674 /nfs/dbraw/zinc/39/16/74/207391674.db2.gz IAZHTVNOFWRFOJ-GOSISDBHSA-N 1 3 319.493 2.908 20 0 DFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H](N)C(C)C)c1 ZINC000269253085 207391682 /nfs/dbraw/zinc/39/16/82/207391682.db2.gz IAZHTVNOFWRFOJ-GOSISDBHSA-N 1 3 319.493 2.908 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000422804748 296336321 /nfs/dbraw/zinc/33/63/21/296336321.db2.gz LCOIDJYLZXVCBL-QGTPRVQTSA-N 1 3 317.502 2.899 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](c1ccsc1)N(C)C ZINC000422804748 296336322 /nfs/dbraw/zinc/33/63/22/296336322.db2.gz LCOIDJYLZXVCBL-QGTPRVQTSA-N 1 3 317.502 2.899 20 0 DFADHO CC[C@@H](CN[C@@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422805818 296336419 /nfs/dbraw/zinc/33/64/19/296336419.db2.gz JQUSAWRZWHSDMF-MOPGFXCFSA-N 1 3 301.478 2.555 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCc1nc(C(F)(F)F)cs1 ZINC000422801916 296335653 /nfs/dbraw/zinc/33/56/53/296335653.db2.gz COSYQMMXOFYKDR-NXEZZACHSA-N 1 3 307.385 2.812 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422801916 296335654 /nfs/dbraw/zinc/33/56/54/296335654.db2.gz COSYQMMXOFYKDR-NXEZZACHSA-N 1 3 307.385 2.812 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000422809390 296336943 /nfs/dbraw/zinc/33/69/43/296336943.db2.gz MFHOCZSVCRXOAZ-WBAXXEDZSA-N 1 3 313.449 2.880 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCc2ccccc2C1)[C@H]1CCCCN1 ZINC000422807022 296336706 /nfs/dbraw/zinc/33/67/06/296336706.db2.gz LOXRJYYPRCDPFI-WOJBJXKFSA-N 1 3 315.505 2.945 20 0 DFADHO C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@H]1CCCCN1 ZINC000422815392 296338263 /nfs/dbraw/zinc/33/82/63/296338263.db2.gz BLTFZXNRLGXBHJ-FUHWJXTLSA-N 1 3 312.461 2.594 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000422818842 296338945 /nfs/dbraw/zinc/33/89/45/296338945.db2.gz LQROWGMJTVSDAJ-YHQUGGNUSA-N 1 3 308.388 2.697 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422819885 296339014 /nfs/dbraw/zinc/33/90/14/296339014.db2.gz JFYMESKPERIKQT-HIFRSBDPSA-N 1 3 304.434 2.671 20 0 DFADHO c1c(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc2ccccn12 ZINC000422815817 296338363 /nfs/dbraw/zinc/33/83/63/296338363.db2.gz CNNWRQAYQFVDTR-FGTMMUONSA-N 1 3 312.461 2.777 20 0 DFADHO c1cn(Cc2cccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2)cn1 ZINC000422824732 296339707 /nfs/dbraw/zinc/33/97/07/296339707.db2.gz HYVSVFVWKMAPHU-XUVXKRRUSA-N 1 3 324.472 2.942 20 0 DFADHO C[C@@H]([NH3+])C1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000346996988 284998131 /nfs/dbraw/zinc/99/81/31/284998131.db2.gz BXKQZDBCKVWMOS-SNVBAGLBSA-N 1 3 302.340 2.986 20 0 DFADHO COc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000422831421 296341256 /nfs/dbraw/zinc/34/12/56/296341256.db2.gz STHHQGQSPFKFFP-MNOVXSKESA-N 1 3 320.355 2.852 20 0 DFADHO C[C@H](CCC[NH3+])NCc1nccn1CCCc1ccccc1 ZINC000422826770 296340440 /nfs/dbraw/zinc/34/04/40/296340440.db2.gz CMNFPJKUXNXUGK-MRXNPFEDSA-N 1 3 300.450 2.733 20 0 DFADHO COc1ccccc1N1CCC([NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000422839647 296342285 /nfs/dbraw/zinc/34/22/85/296342285.db2.gz RCKLAPBYBLSZMC-DOTOQJQBSA-N 1 3 317.477 2.642 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1cn2c(n1)CCCC2 ZINC000422839065 296342457 /nfs/dbraw/zinc/34/24/57/296342457.db2.gz YZABZBGKEXZFMQ-HZPDHXFCSA-N 1 3 304.482 2.662 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000422833772 296341837 /nfs/dbraw/zinc/34/18/37/296341837.db2.gz WNZQQVZVJJYQJG-QYZOEREBSA-N 1 3 301.478 2.849 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422843449 296343406 /nfs/dbraw/zinc/34/34/06/296343406.db2.gz IILUZTJZTHBGEZ-CRAIPNDOSA-N 1 3 324.428 2.551 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000422846290 296343891 /nfs/dbraw/zinc/34/38/91/296343891.db2.gz FJKDSWVNEAXUCH-BMGDILEWSA-N 1 3 320.452 2.850 20 0 DFADHO CO[C@@H]1C[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000422849344 296344736 /nfs/dbraw/zinc/34/47/36/296344736.db2.gz LPKWRZNKFVYHCU-RMRDIRSESA-N 1 3 316.445 2.645 20 0 DFADHO CC[C@H](NC1CCN(c2ccccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422860839 296346456 /nfs/dbraw/zinc/34/64/56/296346456.db2.gz LWUHWVUEHXBRMQ-DLBZAZTESA-N 1 3 302.466 2.561 20 0 DFADHO CC[C@H](NC1CCN(c2ccccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422860841 296346587 /nfs/dbraw/zinc/34/65/87/296346587.db2.gz LWUHWVUEHXBRMQ-IRXDYDNUSA-N 1 3 302.466 2.561 20 0 DFADHO COc1cc2[nH]c(CCC[NH2+][C@@H](C)C[C@H](C)N)cc2c(OC)c1 ZINC000422866778 296346965 /nfs/dbraw/zinc/34/69/65/296346965.db2.gz RBNYMFHVSQXQHE-STQMWFEESA-N 1 3 319.449 2.833 20 0 DFADHO c1cn(-c2ccccc2)nc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422857598 296345830 /nfs/dbraw/zinc/34/58/30/296345830.db2.gz HBQFJBSWUTVFKI-XUVXKRRUSA-N 1 3 324.472 2.925 20 0 DFADHO CCOCCOCc1cccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422860254 296346154 /nfs/dbraw/zinc/34/61/54/296346154.db2.gz LFABNLUXQLCLBN-RBUKOAKNSA-N 1 3 320.477 2.847 20 0 DFADHO OCCNC1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000631863735 399511707 /nfs/dbraw/zinc/51/17/07/399511707.db2.gz CAMWZJZMMOFUSD-UHFFFAOYSA-N 1 3 312.457 2.819 20 0 DFADHO Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)c(N2CCOCC2)c1 ZINC000422867731 296347389 /nfs/dbraw/zinc/34/73/89/296347389.db2.gz SSEHSYCCFSRASU-MSOLQXFVSA-N 1 3 317.477 2.581 20 0 DFADHO CC[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)[C@H]1CCCCN1 ZINC000422879082 296349388 /nfs/dbraw/zinc/34/93/88/296349388.db2.gz UKSLUBAWWFUYLX-CWRNSKLLSA-N 1 3 322.884 2.824 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCN1[C@H](C)CCC[C@H]1C ZINC000422883131 296350207 /nfs/dbraw/zinc/35/02/07/296350207.db2.gz BQTDQQDTRLNGIA-VXNCWWDNSA-N 1 3 303.494 2.797 20 0 DFADHO Cc1ccccc1C1(CN[C@H]2C[NH2+]CC[C@@H]2C)CCOCC1 ZINC000422883643 296350248 /nfs/dbraw/zinc/35/02/48/296350248.db2.gz VIHPRDIBUKXLCB-WMZOPIPTSA-N 1 3 302.462 2.631 20 0 DFADHO COc1ccc(CCN[C@H](C)C[C@@H](C)[NH3+])cc1OC(F)F ZINC000422879833 296349481 /nfs/dbraw/zinc/34/94/81/296349481.db2.gz MVDVJELSODFMHQ-GHMZBOCLSA-N 1 3 302.365 2.555 20 0 DFADHO COc1ccc(CC[NH2+][C@H](C)C[C@@H](C)N)cc1OC(F)F ZINC000422879833 296349482 /nfs/dbraw/zinc/34/94/82/296349482.db2.gz MVDVJELSODFMHQ-GHMZBOCLSA-N 1 3 302.365 2.555 20 0 DFADHO COc1cccc(N2CC[C@H](CN[C@H](C)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422899831 296352688 /nfs/dbraw/zinc/35/26/88/296352688.db2.gz IGZQBYHTSXWDIU-GPMSIDNRSA-N 1 3 317.477 2.642 20 0 DFADHO COc1ccc(OCCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422894747 296351875 /nfs/dbraw/zinc/35/18/75/296351875.db2.gz DCWJBMGMLUENIB-QRVBRYPASA-N 1 3 318.461 2.974 20 0 DFADHO Fc1cccc(F)c1CN1CCC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000422906521 296354281 /nfs/dbraw/zinc/35/42/81/296354281.db2.gz KBIWJFYWRNJNLR-HUUCEWRRSA-N 1 3 323.431 2.661 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422909705 296354638 /nfs/dbraw/zinc/35/46/38/296354638.db2.gz OUIYMDYOHIZJQA-SNPRPXQTSA-N 1 3 323.868 2.644 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000422909705 296354639 /nfs/dbraw/zinc/35/46/39/296354639.db2.gz OUIYMDYOHIZJQA-SNPRPXQTSA-N 1 3 323.868 2.644 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ncccc3Cl)C2)[C@H](C)C1 ZINC000119950080 195068569 /nfs/dbraw/zinc/06/85/69/195068569.db2.gz HDJSGZZQANSSOY-FMKPAKJESA-N 1 3 322.884 2.634 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ncccc3Cl)C2)[C@H](C)C1 ZINC000119950080 195068571 /nfs/dbraw/zinc/06/85/71/195068571.db2.gz HDJSGZZQANSSOY-FMKPAKJESA-N 1 3 322.884 2.634 20 0 DFADHO CCc1nc(CN2CCC(C[NH2+][C@@H](C)C[C@H](C)N)CC2)cs1 ZINC000422913837 296355300 /nfs/dbraw/zinc/35/53/00/296355300.db2.gz QWFYKMOLECUIHZ-KBPBESRZSA-N 1 3 324.538 2.633 20 0 DFADHO C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)c1cnccc1N ZINC000422912796 296354886 /nfs/dbraw/zinc/35/48/86/296354886.db2.gz OBBHYEVNQZKRMG-CYBMUJFWSA-N 1 3 300.406 2.608 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000422928985 296356337 /nfs/dbraw/zinc/35/63/37/296356337.db2.gz NSSMWKOMKBVRFP-PFOQCDBSSA-N 1 3 306.494 2.935 20 0 DFADHO CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1N)N1CCc2ccccc2C1 ZINC000422937662 296357875 /nfs/dbraw/zinc/35/78/75/296357875.db2.gz JQDSGKOALUKEBI-QYZOEREBSA-N 1 3 301.478 2.539 20 0 DFADHO CC(C)[C@H](CN[C@H]1CCC[C@H]1[NH3+])N1CCc2ccccc2C1 ZINC000422937662 296357876 /nfs/dbraw/zinc/35/78/76/296357876.db2.gz JQDSGKOALUKEBI-QYZOEREBSA-N 1 3 301.478 2.539 20 0 DFADHO CC(C)c1noc(CCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422938090 296357992 /nfs/dbraw/zinc/35/79/92/296357992.db2.gz PHSDJCODTIENNO-RRFJBIMHSA-N 1 3 306.454 2.636 20 0 DFADHO CC[C@H]([NH2+]CCOc1cccc(NC(C)=O)c1)[C@@H]1CCCCN1 ZINC000422936810 296358023 /nfs/dbraw/zinc/35/80/23/296358023.db2.gz BYWDVUJQANOGSJ-ROUUACIJSA-N 1 3 319.449 2.534 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1csc2ccccc12 ZINC000422943332 296358567 /nfs/dbraw/zinc/35/85/67/296358567.db2.gz YBTHRMAKCYSAQB-VBNZEHGJSA-N 1 3 304.459 2.786 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000422943332 296358568 /nfs/dbraw/zinc/35/85/68/296358568.db2.gz YBTHRMAKCYSAQB-VBNZEHGJSA-N 1 3 304.459 2.786 20 0 DFADHO O=C(CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(Cl)cc1 ZINC000422944517 296359155 /nfs/dbraw/zinc/35/91/55/296359155.db2.gz MKCNSGSCJMWPSK-XYPWUTKMSA-N 1 3 321.852 2.931 20 0 DFADHO Clc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000422946996 296359430 /nfs/dbraw/zinc/35/94/30/296359430.db2.gz XPFSDGNKQKDPNB-BFHYXJOUSA-N 1 3 314.882 2.691 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1ccc(Br)cc1 ZINC000422948228 296359800 /nfs/dbraw/zinc/35/98/00/296359800.db2.gz RNNSVSKBMAPJOD-MNOVXSKESA-N 1 3 301.228 2.543 20 0 DFADHO CC[C@H](C)C(=O)Nc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422951596 296359926 /nfs/dbraw/zinc/35/99/26/296359926.db2.gz ZFMNTCDOHQPPSN-LXZKKBNFSA-N 1 3 303.450 2.888 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000422951488 296359960 /nfs/dbraw/zinc/35/99/60/296359960.db2.gz YTEYEXMBOCHSFN-CJNGLKHVSA-N 1 3 303.381 2.740 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422951488 296359961 /nfs/dbraw/zinc/35/99/61/296359961.db2.gz YTEYEXMBOCHSFN-CJNGLKHVSA-N 1 3 303.381 2.740 20 0 DFADHO C[C@@H](CCCC[NH3+])N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000422956062 296360775 /nfs/dbraw/zinc/36/07/75/296360775.db2.gz KKGIYUAJIKVHMO-JSGCOSHPSA-N 1 3 309.841 2.552 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]1NCCCc1nc(-c2ccncc2)cs1 ZINC000422958223 296360931 /nfs/dbraw/zinc/36/09/31/296360931.db2.gz XCXXCTOGWWUGHT-ZIAGYGMSSA-N 1 3 302.447 2.607 20 0 DFADHO CC[C@H](NCCCN(C(=O)C1CCC1)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000422954194 296360298 /nfs/dbraw/zinc/36/02/98/296360298.db2.gz HFODINYLCUMVEG-ZWKOTPCHSA-N 1 3 321.509 2.678 20 0 DFADHO CCN(CC)C(=O)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000422954382 296360342 /nfs/dbraw/zinc/36/03/42/296360342.db2.gz HLSLRGQHYOICMO-YESZJQIVSA-N 1 3 309.498 2.535 20 0 DFADHO CCc1noc(-c2ccc(CCN[C@@H](C)C[C@@H](C)[NH3+])cc2)n1 ZINC000422960532 296361334 /nfs/dbraw/zinc/36/13/34/296361334.db2.gz WUNILGXVGJLMQR-OLZOCXBDSA-N 1 3 302.422 2.557 20 0 DFADHO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)C[C@@H](C)N)cc2)n1 ZINC000422960532 296361335 /nfs/dbraw/zinc/36/13/35/296361335.db2.gz WUNILGXVGJLMQR-OLZOCXBDSA-N 1 3 302.422 2.557 20 0 DFADHO c1cn2c(n1)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CCC2 ZINC000422963687 296361775 /nfs/dbraw/zinc/36/17/75/296361775.db2.gz GKHZFKZWEXXBFZ-VVLHAWIVSA-N 1 3 302.466 2.661 20 0 DFADHO c1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)nc1 ZINC000422968861 296362645 /nfs/dbraw/zinc/36/26/45/296362645.db2.gz SHBWPQRHYUGLEM-XWTMOSNGSA-N 1 3 314.477 2.561 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCCNCC1 ZINC000422965245 296362306 /nfs/dbraw/zinc/36/23/06/296362306.db2.gz OCRFWARJLPUMCW-GOSISDBHSA-N 1 3 312.461 2.845 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@@H]1CCC[NH2+]CC1 ZINC000422965245 296362307 /nfs/dbraw/zinc/36/23/07/296362307.db2.gz OCRFWARJLPUMCW-GOSISDBHSA-N 1 3 312.461 2.845 20 0 DFADHO CC(C)Oc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)cn1 ZINC000422972781 296363484 /nfs/dbraw/zinc/36/34/84/296363484.db2.gz MTJUFYQLSOJJGX-YJBOKZPZSA-N 1 3 313.445 2.917 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](CCO)C1CCCCC1 ZINC000422990091 296364466 /nfs/dbraw/zinc/36/44/66/296364466.db2.gz BMLKPEZSLQPZKW-KSSFIOAISA-N 1 3 305.466 2.831 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000422989397 296364662 /nfs/dbraw/zinc/36/46/62/296364662.db2.gz LKJCMEXLEZSQJQ-WCQYABFASA-N 1 3 317.355 2.586 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994774 296364768 /nfs/dbraw/zinc/36/47/68/296364768.db2.gz WDVPZWBODWCLCO-YNEHKIRRSA-N 1 3 318.383 2.572 20 0 DFADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994774 296364769 /nfs/dbraw/zinc/36/47/69/296364769.db2.gz WDVPZWBODWCLCO-YNEHKIRRSA-N 1 3 318.383 2.572 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000422996701 296365347 /nfs/dbraw/zinc/36/53/47/296365347.db2.gz MVTAKJORLJHNPC-NEPXVJNWSA-N 1 3 304.478 2.879 20 0 DFADHO Cc1cn2c(n1)[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])CCC2 ZINC000423005530 296366376 /nfs/dbraw/zinc/36/63/76/296366376.db2.gz MLMICPHZGXITIJ-RYQLBKOJSA-N 1 3 312.461 2.617 20 0 DFADHO c1ccc2c(c1)CC(CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423013848 296367771 /nfs/dbraw/zinc/36/77/71/296367771.db2.gz NMQXUMXNVUPLMZ-XUVXKRRUSA-N 1 3 314.473 2.538 20 0 DFADHO C[C@H](Cc1cc(Br)ccc1F)NC1CC[NH2+]CC1 ZINC000423017730 296367980 /nfs/dbraw/zinc/36/79/80/296367980.db2.gz WXIZWWDDIVMUTN-SNVBAGLBSA-N 1 3 315.230 2.861 20 0 DFADHO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C1CCNCC1 ZINC000423017730 296367981 /nfs/dbraw/zinc/36/79/81/296367981.db2.gz WXIZWWDDIVMUTN-SNVBAGLBSA-N 1 3 315.230 2.861 20 0 DFADHO Fc1cc(N2CC[C@@H](N[C@@H]3CCC[NH2+]CC3)C2)ccc1Cl ZINC000423025625 296369096 /nfs/dbraw/zinc/36/90/96/296369096.db2.gz ORQODEPIGXPHHT-CHWSQXEVSA-N 1 3 311.832 2.790 20 0 DFADHO COc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)cc1 ZINC000423038185 296370630 /nfs/dbraw/zinc/37/06/30/296370630.db2.gz XUUQALFJVXJOJW-SJPCQFCGSA-N 1 3 300.446 2.990 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423047839 296371792 /nfs/dbraw/zinc/37/17/92/296371792.db2.gz HGJWQSDRVYSADN-RVSPLBMKSA-N 1 3 312.404 2.629 20 0 DFADHO Cc1ccccc1C[C@H](CO)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423056137 296372704 /nfs/dbraw/zinc/37/27/04/296372704.db2.gz FDMPPQSVWZWFBQ-BHIYHBOVSA-N 1 3 304.478 2.799 20 0 DFADHO Cc1oc2ccccc2c1CCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423050065 296372164 /nfs/dbraw/zinc/37/21/64/296372164.db2.gz LFCVISXZNPRDMM-JCURWCKSSA-N 1 3 302.418 2.626 20 0 DFADHO Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000423050065 296372165 /nfs/dbraw/zinc/37/21/65/296372165.db2.gz LFCVISXZNPRDMM-JCURWCKSSA-N 1 3 302.418 2.626 20 0 DFADHO Cc1ccccc1C[C@H](CO)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423058460 296373212 /nfs/dbraw/zinc/37/32/12/296373212.db2.gz JNDYMDYURJRFJI-UAFMIMERSA-N 1 3 316.489 2.799 20 0 DFADHO CN(Cc1ccccc1)[C@H](CN[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000423063739 296373675 /nfs/dbraw/zinc/37/36/75/296373675.db2.gz POBCBVKIFNWIOB-RTBURBONSA-N 1 3 301.478 2.629 20 0 DFADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(OC)cc2)CC1 ZINC000159197829 197335392 /nfs/dbraw/zinc/33/53/92/197335392.db2.gz QPFWESUKXNCVRH-OAHLLOKOSA-N 1 3 306.450 2.847 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000423082560 296376232 /nfs/dbraw/zinc/37/62/32/296376232.db2.gz DLBKSICJMHZKHB-SUMWQHHRSA-N 1 3 304.482 2.620 20 0 DFADHO C[C@H](NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423080346 296375890 /nfs/dbraw/zinc/37/58/90/296375890.db2.gz ABWXKBHENHXOOD-LLGZUXRYSA-N 1 3 319.415 2.522 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423080019 296375892 /nfs/dbraw/zinc/37/58/92/296375892.db2.gz ZDOFTFQUQLJUJT-KANFNMMFSA-N 1 3 320.452 2.616 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423080019 296375894 /nfs/dbraw/zinc/37/58/94/296375894.db2.gz ZDOFTFQUQLJUJT-KANFNMMFSA-N 1 3 320.452 2.616 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423084474 296376400 /nfs/dbraw/zinc/37/64/00/296376400.db2.gz IASBXGHJDLNTOA-IZIZEDOESA-N 1 3 302.462 2.520 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC1(CO)CC(c2ccccc2)C1 ZINC000423084474 296376402 /nfs/dbraw/zinc/37/64/02/296376402.db2.gz IASBXGHJDLNTOA-IZIZEDOESA-N 1 3 302.462 2.520 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000423084524 296376426 /nfs/dbraw/zinc/37/64/26/296376426.db2.gz IFQXEHGVODQMHC-JQHSSLGASA-N 1 3 303.494 2.655 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1N(C)CCCC1(C)C ZINC000423084524 296376427 /nfs/dbraw/zinc/37/64/27/296376427.db2.gz IFQXEHGVODQMHC-JQHSSLGASA-N 1 3 303.494 2.655 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCCc1cccc(OCC(F)(F)F)c1 ZINC000423092104 296377476 /nfs/dbraw/zinc/37/74/76/296377476.db2.gz AOMROMNAWGZKJS-RYUDHWBXSA-N 1 3 304.356 2.886 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423092104 296377477 /nfs/dbraw/zinc/37/74/77/296377477.db2.gz AOMROMNAWGZKJS-RYUDHWBXSA-N 1 3 304.356 2.886 20 0 DFADHO CCOc1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1Cl ZINC000423098710 296378265 /nfs/dbraw/zinc/37/82/65/296378265.db2.gz DJUNPXLPMVAQPA-CORIIIEPSA-N 1 3 312.841 2.581 20 0 DFADHO C[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000624122942 399560206 /nfs/dbraw/zinc/56/02/06/399560206.db2.gz BKEQVISOGSGNGC-HZPDHXFCSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000624122942 399560211 /nfs/dbraw/zinc/56/02/11/399560211.db2.gz BKEQVISOGSGNGC-HZPDHXFCSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(-n2ccnn2)c1 ZINC000624122942 399560216 /nfs/dbraw/zinc/56/02/16/399560216.db2.gz BKEQVISOGSGNGC-HZPDHXFCSA-N 1 3 313.449 2.650 20 0 DFADHO CCOc1ccc(CN[C@@H](CCC[NH3+])COC)cc1Cl ZINC000423106685 296379068 /nfs/dbraw/zinc/37/90/68/296379068.db2.gz ORXKKFDVWXIVOB-ZDUSSCGKSA-N 1 3 300.830 2.582 20 0 DFADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121595 399560035 /nfs/dbraw/zinc/56/00/35/399560035.db2.gz YIKCDMBAHCWSBK-WOJBJXKFSA-N 1 3 315.505 2.973 20 0 DFADHO C[N@@H+]1CCCC[C@H](CN[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121595 399560040 /nfs/dbraw/zinc/56/00/40/399560040.db2.gz YIKCDMBAHCWSBK-WOJBJXKFSA-N 1 3 315.505 2.973 20 0 DFADHO C[N@H+]1CCCC[C@H](CN[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121595 399560046 /nfs/dbraw/zinc/56/00/46/399560046.db2.gz YIKCDMBAHCWSBK-WOJBJXKFSA-N 1 3 315.505 2.973 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000624123036 399560605 /nfs/dbraw/zinc/56/06/05/399560605.db2.gz DOCXWJDIUDHIQA-CVEARBPZSA-N 1 3 317.477 2.771 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccc2c[nH]nc2c1 ZINC000423111729 296379661 /nfs/dbraw/zinc/37/96/61/296379661.db2.gz WLTNMDYZPCRCRH-KBXCAEBGSA-N 1 3 308.429 2.654 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccc2c[nH]nc2c1 ZINC000423111733 296379665 /nfs/dbraw/zinc/37/96/65/296379665.db2.gz WLTNMDYZPCRCRH-KSSFIOAISA-N 1 3 308.429 2.654 20 0 DFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccc2c[nH]nc2c1 ZINC000423111735 296379709 /nfs/dbraw/zinc/37/97/09/296379709.db2.gz WLTNMDYZPCRCRH-RDTXWAMCSA-N 1 3 308.429 2.654 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000624121056 399561359 /nfs/dbraw/zinc/56/13/59/399561359.db2.gz MTGIQYVHBLWCGH-HUUCEWRRSA-N 1 3 315.461 2.954 20 0 DFADHO CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCCN(C)C2)c2ccccc21 ZINC000624124095 399562145 /nfs/dbraw/zinc/56/21/45/399562145.db2.gz XEFPGQBHCFXCRZ-FUHWJXTLSA-N 1 3 315.461 2.806 20 0 DFADHO [NH3+][C@H]1CCC[C@H]1NCCc1c[nH]c2cccc(Br)c12 ZINC000423120720 296380740 /nfs/dbraw/zinc/38/07/40/296380740.db2.gz HLPIJJIACSBKPN-QWHCGFSZSA-N 1 3 322.250 2.942 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccccc1-n1ccnn1 ZINC000624123413 399562879 /nfs/dbraw/zinc/56/28/79/399562879.db2.gz LNVFLHMMKDXCKJ-JKSUJKDBSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](CO)C1CCCCC1 ZINC000423129542 296381819 /nfs/dbraw/zinc/38/18/19/296381819.db2.gz FFMCFMZQKXDJQX-SNRMKQJTSA-N 1 3 304.478 2.723 20 0 DFADHO CC(C)c1nnc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000423128536 296382001 /nfs/dbraw/zinc/38/20/01/296382001.db2.gz KVWNLMCPFYJGOS-MGPQQGTHSA-N 1 3 308.495 2.714 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1cc2ccccc2s1 ZINC000423129882 296382395 /nfs/dbraw/zinc/38/23/95/296382395.db2.gz FXZULMGIYZNRSH-RCBQFDQVSA-N 1 3 304.459 2.786 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423129882 296382397 /nfs/dbraw/zinc/38/23/97/296382397.db2.gz FXZULMGIYZNRSH-RCBQFDQVSA-N 1 3 304.459 2.786 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423140695 296383873 /nfs/dbraw/zinc/38/38/73/296383873.db2.gz ZEIDKPJUFABWMX-SMDDNHRTSA-N 1 3 301.356 2.750 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCc1cc(C(F)(F)F)ccn1 ZINC000423140695 296383874 /nfs/dbraw/zinc/38/38/74/296383874.db2.gz ZEIDKPJUFABWMX-SMDDNHRTSA-N 1 3 301.356 2.750 20 0 DFADHO CCC[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)OC ZINC000423148324 296384976 /nfs/dbraw/zinc/38/49/76/296384976.db2.gz VAIIKPIKPFHTJM-UWWQBHOKSA-N 1 3 304.434 2.647 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCO[C@H](C(C)C)C1 ZINC000423156035 296386165 /nfs/dbraw/zinc/38/61/65/296386165.db2.gz RORCIZWZKDTCFA-YEWWUXTCSA-N 1 3 305.466 2.951 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000423156033 296386205 /nfs/dbraw/zinc/38/62/05/296386205.db2.gz RORCIZWZKDTCFA-JCKWVBRZSA-N 1 3 305.466 2.951 20 0 DFADHO CCO[C@@H]1CCC[C@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423160794 296386481 /nfs/dbraw/zinc/38/64/81/296386481.db2.gz HWDOYYQUDRIXJD-UKBAYJJMSA-N 1 3 316.445 2.790 20 0 DFADHO COc1cccc2c1C[C@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C2 ZINC000423166797 296387403 /nfs/dbraw/zinc/38/74/03/296387403.db2.gz DHEHONSEBMXAHJ-XJKSGUPXSA-N 1 3 311.429 2.675 20 0 DFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N)CCCCC1 ZINC000423181751 296389171 /nfs/dbraw/zinc/38/91/71/296389171.db2.gz PKXJPMMNFHTVMV-AEFFLSMTSA-N 1 3 316.493 2.543 20 0 DFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000423181751 296389174 /nfs/dbraw/zinc/38/91/74/296389174.db2.gz PKXJPMMNFHTVMV-AEFFLSMTSA-N 1 3 316.493 2.543 20 0 DFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000617011489 399572364 /nfs/dbraw/zinc/57/23/64/399572364.db2.gz GDZFNAVRBMOYQZ-DOTOQJQBSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000617011489 399572370 /nfs/dbraw/zinc/57/23/70/399572370.db2.gz GDZFNAVRBMOYQZ-DOTOQJQBSA-N 1 3 321.509 2.630 20 0 DFADHO COc1ccc2c(c1)[C@H](NCCC[NH2+]Cc1cccnc1)CC2 ZINC000423190257 296390495 /nfs/dbraw/zinc/39/04/95/296390495.db2.gz QTIDKWBVIXFVEA-LJQANCHMSA-N 1 3 311.429 2.847 20 0 DFADHO C[NH2+]CCCN[C@@H](Cc1ccccc1Br)C1CC1 ZINC000423198891 296391471 /nfs/dbraw/zinc/39/14/71/296391471.db2.gz INXLLHYHJGJBBP-HNNXBMFYSA-N 1 3 311.267 2.969 20 0 DFADHO CNCCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423198891 296391472 /nfs/dbraw/zinc/39/14/72/296391472.db2.gz INXLLHYHJGJBBP-HNNXBMFYSA-N 1 3 311.267 2.969 20 0 DFADHO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000282341542 285179458 /nfs/dbraw/zinc/17/94/58/285179458.db2.gz VHYQCHJVFCOOCS-MJGOQNOKSA-N 1 3 320.477 2.922 20 0 DFADHO C[C@@H](NCC[C@H]1CC[NH2+]C1)c1ncc(Br)cc1F ZINC000423245001 296396502 /nfs/dbraw/zinc/39/65/02/296396502.db2.gz IIQREGVBDLKOQM-NXEZZACHSA-N 1 3 316.218 2.633 20 0 DFADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423263634 296398259 /nfs/dbraw/zinc/39/82/59/296398259.db2.gz BFPMOGRACOEBKA-OALUTQOASA-N 1 3 313.445 2.947 20 0 DFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000423266888 296398531 /nfs/dbraw/zinc/39/85/31/296398531.db2.gz DWOTVROQHUMRDZ-IMFGXOCKSA-N 1 3 315.505 2.799 20 0 DFADHO CC1(C)CC(NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC(C)(C)C1 ZINC000629401818 399593839 /nfs/dbraw/zinc/59/38/39/399593839.db2.gz FVNIOZKEJGSKGO-OAHLLOKOSA-N 1 3 305.470 2.507 20 0 DFADHO COc1cc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cc(OC)c1OC ZINC000423274222 296399658 /nfs/dbraw/zinc/39/96/58/296399658.db2.gz LRRIEKKQKQJCPQ-KCQAQPDRSA-N 1 3 322.449 2.881 20 0 DFADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(C(=O)N(C)C)cc1 ZINC000423278063 296400135 /nfs/dbraw/zinc/40/01/35/296400135.db2.gz PCSIQRHEVFGDIJ-XKQJLSEDSA-N 1 3 303.450 2.557 20 0 DFADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(C(=O)N(C)C)cc1 ZINC000423278060 296400242 /nfs/dbraw/zinc/40/02/42/296400242.db2.gz PCSIQRHEVFGDIJ-IAOVAPTHSA-N 1 3 303.450 2.557 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423278028 296400330 /nfs/dbraw/zinc/40/03/30/296400330.db2.gz QJMDCBGVNJPYHZ-YSVLISHTSA-N 1 3 318.465 2.995 20 0 DFADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423318147 296403723 /nfs/dbraw/zinc/40/37/23/296403723.db2.gz CQPIZCOYSWNCLT-IAGOWNOFSA-N 1 3 319.493 2.805 20 0 DFADHO O[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000624217624 399601337 /nfs/dbraw/zinc/60/13/37/399601337.db2.gz ASCNVVWGXRSWEU-OUUBHVDSSA-N 1 3 314.473 2.648 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000423344009 296406621 /nfs/dbraw/zinc/40/66/21/296406621.db2.gz DXVZPAMGXMULTM-CRAIPNDOSA-N 1 3 315.461 2.797 20 0 DFADHO CCN1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000347882882 285223242 /nfs/dbraw/zinc/22/32/42/285223242.db2.gz VGPMJNZYIZOSMM-RLLQIKCJSA-N 1 3 315.505 2.971 20 0 DFADHO COCCOc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000423366141 296408880 /nfs/dbraw/zinc/40/88/80/296408880.db2.gz BOGFTKDMGUJFFJ-IMJJTQAJSA-N 1 3 322.449 2.641 20 0 DFADHO Cc1ccc([C@H](CCn2cncn2)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423382967 296410983 /nfs/dbraw/zinc/41/09/83/296410983.db2.gz KCPWNTDBYWJFFE-KURKYZTESA-N 1 3 313.449 2.577 20 0 DFADHO COc1cc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc(OC)c1OC ZINC000423388336 296411842 /nfs/dbraw/zinc/41/18/42/296411842.db2.gz NJUSUNLJNCQDRS-UBHSHLNASA-N 1 3 308.422 2.633 20 0 DFADHO COc1cc2nccc(N3CCC[C@@H]([NH+](C)C)C3)c2cc1OC ZINC000298135824 533179944 /nfs/dbraw/zinc/17/99/44/533179944.db2.gz COVQDSPOMBAWAL-CYBMUJFWSA-N 1 3 315.417 2.782 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)[C@@H](C)O1 ZINC000294722143 224191981 /nfs/dbraw/zinc/19/19/81/224191981.db2.gz BXYOFMOFIUMYTQ-RWQQGDIJSA-N 1 3 302.462 2.707 20 0 DFADHO C[C@@H]1C[C@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H](C)O1 ZINC000294722143 224191983 /nfs/dbraw/zinc/19/19/83/224191983.db2.gz BXYOFMOFIUMYTQ-RWQQGDIJSA-N 1 3 302.462 2.707 20 0 DFADHO C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H](C)O1 ZINC000294722143 224191985 /nfs/dbraw/zinc/19/19/85/224191985.db2.gz BXYOFMOFIUMYTQ-RWQQGDIJSA-N 1 3 302.462 2.707 20 0 DFADHO OC1CC[NH+](CCCN[C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000178522623 285245367 /nfs/dbraw/zinc/24/53/67/285245367.db2.gz GQFZSYWFPALQQY-QGZVFWFLSA-N 1 3 308.853 2.764 20 0 DFADHO COC(=O)c1csc([C@@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000423445349 296417274 /nfs/dbraw/zinc/41/72/74/296417274.db2.gz RUSYICCBSVFTEA-DDTOSNHZSA-N 1 3 308.447 2.573 20 0 DFADHO COC(=O)c1ccc(CN2CCC3(C2)CC[NH+](C)CC3)cc1F ZINC000602877063 399611975 /nfs/dbraw/zinc/61/19/75/399611975.db2.gz LHSVKXIEJFDGFW-UHFFFAOYSA-N 1 3 320.408 2.530 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@H]1CCOC1 ZINC000423478629 296420016 /nfs/dbraw/zinc/42/00/16/296420016.db2.gz UEWNKEOKGWLAPN-OWIUFQIYSA-N 1 3 306.425 2.533 20 0 DFADHO C[C@H](NCCC(=O)N1CCC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934559 285255106 /nfs/dbraw/zinc/25/51/06/285255106.db2.gz OYBWJHCPOCUKIY-ULQDDVLXSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](NCCC(=O)N1CCC[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934559 285255109 /nfs/dbraw/zinc/25/51/09/285255109.db2.gz OYBWJHCPOCUKIY-ULQDDVLXSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H]([NH2+]CCC(=O)N1CCC[C@@H]1C)[C@H]1CCCN(C2CCC2)C1 ZINC000347934559 285255112 /nfs/dbraw/zinc/25/51/12/285255112.db2.gz OYBWJHCPOCUKIY-ULQDDVLXSA-N 1 3 321.509 2.630 20 0 DFADHO CCC[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)N(C)C ZINC000120572741 195192372 /nfs/dbraw/zinc/19/23/72/195192372.db2.gz JSNGWCZPFVGEOM-DAWZGUTISA-N 1 3 323.525 2.876 20 0 DFADHO C[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)N1[C@@H](C)CC[C@@H]1C ZINC000120676046 195213832 /nfs/dbraw/zinc/21/38/32/195213832.db2.gz ZOJGLONJNCPBTL-BZSNNMDCSA-N 1 3 323.525 2.876 20 0 DFADHO CO[C@@H](C)CN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000289617779 221107160 /nfs/dbraw/zinc/10/71/60/221107160.db2.gz LKROMPVUUOUFSP-INIZCTEOSA-N 1 3 319.493 2.684 20 0 DFADHO c1ccc2c(c1)CO[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000629513048 399630828 /nfs/dbraw/zinc/63/08/28/399630828.db2.gz JZLGXKBHTACRGO-WJFTUGDTSA-N 1 3 300.446 2.638 20 0 DFADHO C[C@H](CCCO)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000294879028 224281536 /nfs/dbraw/zinc/28/15/36/224281536.db2.gz VKFSTEIEUZWLFY-RSPOEFSDSA-N 1 3 316.489 2.895 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CCCN1CC(F)F ZINC000629520897 399634016 /nfs/dbraw/zinc/63/40/16/399634016.db2.gz ZHVQKDQGRZOLTL-KFWWJZLASA-N 1 3 303.441 2.616 20 0 DFADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1cccc(Br)c1 ZINC000629525234 399634938 /nfs/dbraw/zinc/63/49/38/399634938.db2.gz YXILREGZKMRKNY-LLVKDONJSA-N 1 3 313.239 2.608 20 0 DFADHO C[NH2+]CCOCCN[C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000629530128 399637966 /nfs/dbraw/zinc/63/79/66/399637966.db2.gz WDOIQSVMBXNUTO-HNNXBMFYSA-N 1 3 312.841 2.688 20 0 DFADHO C[NH2+]CCOCCN[C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000629530129 399638061 /nfs/dbraw/zinc/63/80/61/399638061.db2.gz WDOIQSVMBXNUTO-OAHLLOKOSA-N 1 3 312.841 2.688 20 0 DFADHO CC[C@H](NCCOCCC[NH3+])c1ccc(Br)cc1 ZINC000629535684 399638905 /nfs/dbraw/zinc/63/89/05/399638905.db2.gz CYKKENUETFXIDQ-AWEZNQCLSA-N 1 3 315.255 2.855 20 0 DFADHO COc1ccc([C@@H](NCCOCCC[NH3+])c2ccccc2)cc1 ZINC000629536420 399640366 /nfs/dbraw/zinc/64/03/66/399640366.db2.gz HKXKANAHKDGIAG-IBGZPJMESA-N 1 3 314.429 2.740 20 0 DFADHO C[C@@H](NCCOCCC[NH3+])c1cc(Br)ccc1F ZINC000629538759 399640461 /nfs/dbraw/zinc/64/04/61/399640461.db2.gz MUWQICMOWSUYDT-SNVBAGLBSA-N 1 3 319.218 2.604 20 0 DFADHO COc1ccccc1[C@H](NCCOCCC[NH3+])C1CCCC1 ZINC000629540512 399640047 /nfs/dbraw/zinc/64/00/47/399640047.db2.gz VHWWZDOESBUDAH-GOSISDBHSA-N 1 3 306.450 2.882 20 0 DFADHO OCc1ccc(F)c(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000629544502 399642444 /nfs/dbraw/zinc/64/24/44/399642444.db2.gz IXAFVCBOGXXWDW-INIZCTEOSA-N 1 3 306.425 2.530 20 0 DFADHO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)CN1CCCC1)CC2 ZINC000629575581 399653904 /nfs/dbraw/zinc/65/39/04/399653904.db2.gz JKNHGYBLRMUMSL-HKUYNNGSSA-N 1 3 302.462 2.844 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccccc1CC(F)(F)F ZINC000629555293 399646361 /nfs/dbraw/zinc/64/63/61/399646361.db2.gz UKICLNMAPVUUPR-NILFDRSVSA-N 1 3 316.367 2.633 20 0 DFADHO C[NH2+]CCOCCN(C)[C@H](C)c1cccc(Br)c1 ZINC000629572225 399651802 /nfs/dbraw/zinc/65/18/02/399651802.db2.gz OVKNWPHRTRBOBM-GFCCVEGCSA-N 1 3 315.255 2.678 20 0 DFADHO CN1CCN(Cc2ccccc2-c2cccc3c2C[NH2+]C3)CC1 ZINC000629734926 399707954 /nfs/dbraw/zinc/70/79/54/399707954.db2.gz ARMQSBPDIRQEON-UHFFFAOYSA-N 1 3 307.441 2.704 20 0 DFADHO Cc1nccnc1CC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000294976209 224352379 /nfs/dbraw/zinc/35/23/79/224352379.db2.gz KHRHECGUYJOJFQ-APWZRJJASA-N 1 3 324.472 2.828 20 0 DFADHO Cc1nccnc1CCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294976209 224352382 /nfs/dbraw/zinc/35/23/82/224352382.db2.gz KHRHECGUYJOJFQ-APWZRJJASA-N 1 3 324.472 2.828 20 0 DFADHO Cc1nccnc1CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294976209 224352384 /nfs/dbraw/zinc/35/23/84/224352384.db2.gz KHRHECGUYJOJFQ-APWZRJJASA-N 1 3 324.472 2.828 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000294977674 224353809 /nfs/dbraw/zinc/35/38/09/224353809.db2.gz GGWHNGPRXSXWRJ-MANSERQUSA-N 1 3 300.446 2.666 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000294977674 224353811 /nfs/dbraw/zinc/35/38/11/224353811.db2.gz GGWHNGPRXSXWRJ-MANSERQUSA-N 1 3 300.446 2.666 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000294977674 224353812 /nfs/dbraw/zinc/35/38/12/224353812.db2.gz GGWHNGPRXSXWRJ-MANSERQUSA-N 1 3 300.446 2.666 20 0 DFADHO COC1(CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000090653289 542539145 /nfs/dbraw/zinc/53/91/45/542539145.db2.gz IEBIUKSVPKTYCC-AEFFLSMTSA-N 1 3 324.509 2.815 20 0 DFADHO COC1(C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000090653289 542539149 /nfs/dbraw/zinc/53/91/49/542539149.db2.gz IEBIUKSVPKTYCC-AEFFLSMTSA-N 1 3 324.509 2.815 20 0 DFADHO COC[C@H](N[C@H](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000091413748 542541059 /nfs/dbraw/zinc/54/10/59/542541059.db2.gz UDDREUAGWCCQHG-PXAZEXFGSA-N 1 3 312.404 2.972 20 0 DFADHO CO[C@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000091772894 542541568 /nfs/dbraw/zinc/54/15/68/542541568.db2.gz NLMHLAQCCOCQGO-IBGZPJMESA-N 1 3 318.461 2.772 20 0 DFADHO C[C@@H]1[C@H](C)SCCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093499748 542553657 /nfs/dbraw/zinc/55/36/57/542553657.db2.gz YBDSGEBEDZPTTD-CABCVRRESA-N 1 3 308.491 2.953 20 0 DFADHO CCN(Cc1ccc(OCC[NH+](C)C)cc1)C[C@H]1CCCO1 ZINC000092406911 542547411 /nfs/dbraw/zinc/54/74/11/542547411.db2.gz ZOJWWBKMVSXZLL-GOSISDBHSA-N 1 3 306.450 2.628 20 0 DFADHO CC1=CC[C@@](C)(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000617502566 399719036 /nfs/dbraw/zinc/71/90/36/399719036.db2.gz UVWREVPMBXJLCW-FUHWJXTLSA-N 1 3 309.498 2.511 20 0 DFADHO CC1=CC[C@@](C)(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000617502566 399719039 /nfs/dbraw/zinc/71/90/39/399719039.db2.gz UVWREVPMBXJLCW-FUHWJXTLSA-N 1 3 309.498 2.511 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCC1CCCCC1 ZINC000617503728 399720678 /nfs/dbraw/zinc/72/06/78/399720678.db2.gz WLASYVQHBFZUPM-INIZCTEOSA-N 1 3 311.514 2.735 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCC1CCCCC1 ZINC000617503728 399720679 /nfs/dbraw/zinc/72/06/79/399720679.db2.gz WLASYVQHBFZUPM-INIZCTEOSA-N 1 3 311.514 2.735 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000617505568 399720929 /nfs/dbraw/zinc/72/09/29/399720929.db2.gz IKTHDHZHPURHLI-RYQLBKOJSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000617505568 399720933 /nfs/dbraw/zinc/72/09/33/399720933.db2.gz IKTHDHZHPURHLI-RYQLBKOJSA-N 1 3 323.525 2.591 20 0 DFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000423738064 296442653 /nfs/dbraw/zinc/44/26/53/296442653.db2.gz BLEXZUKWWKBXBP-MRXNPFEDSA-N 1 3 311.514 2.589 20 0 DFADHO CCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@@H]1CCN(C)C1 ZINC000617551018 399731934 /nfs/dbraw/zinc/73/19/34/399731934.db2.gz JHTODDDJDGMYRJ-GOSISDBHSA-N 1 3 317.477 2.695 20 0 DFADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000348100223 285348980 /nfs/dbraw/zinc/34/89/80/285348980.db2.gz FNTPZHOPAUIKFJ-HUUCEWRRSA-N 1 3 316.367 2.948 20 0 DFADHO C[C@@H](NCCC[NH+]1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000348102436 285350177 /nfs/dbraw/zinc/35/01/77/285350177.db2.gz KOKAOCUJVCDEQK-MRXNPFEDSA-N 1 3 313.449 2.794 20 0 DFADHO CN(C)C[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423768785 296445459 /nfs/dbraw/zinc/44/54/59/296445459.db2.gz FRNULFFAIMRSIO-CVEARBPZSA-N 1 3 323.868 2.591 20 0 DFADHO CCCOc1ccc(C[N@H+](C)C[C@@H]2CCN(C)C2)cc1OC ZINC000121022972 195281847 /nfs/dbraw/zinc/28/18/47/195281847.db2.gz KHQXBKRYRLTMNL-MRXNPFEDSA-N 1 3 306.450 2.868 20 0 DFADHO CCCOc1ccc(C[N@@H+](C)C[C@@H]2CCN(C)C2)cc1OC ZINC000121022972 195281850 /nfs/dbraw/zinc/28/18/50/195281850.db2.gz KHQXBKRYRLTMNL-MRXNPFEDSA-N 1 3 306.450 2.868 20 0 DFADHO CCC(O)(CC)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000121905157 195372568 /nfs/dbraw/zinc/37/25/68/195372568.db2.gz UFTMOARPQGFMJY-HNNXBMFYSA-N 1 3 308.466 2.829 20 0 DFADHO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](N)Cc2ccccc2)c1 ZINC000423785464 296447539 /nfs/dbraw/zinc/44/75/39/296447539.db2.gz ODVJKUXRXIEKBI-SFHVURJKSA-N 1 3 311.429 2.565 20 0 DFADHO Cc1nn(C)c2sc([C@@H](C)[NH2+]CC3CCN(C)CC3)cc12 ZINC000348129435 285369167 /nfs/dbraw/zinc/36/91/67/285369167.db2.gz YUBVJJWZMVWSIV-GFCCVEGCSA-N 1 3 306.479 2.936 20 0 DFADHO C[C@@H](CC(C)(C)C)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000294983748 533468780 /nfs/dbraw/zinc/46/87/80/533468780.db2.gz HCGVTFOCJVRFRM-HNNXBMFYSA-N 1 3 319.493 2.892 20 0 DFADHO CCCc1ccc(C[NH2+]CCCN2CCN(CC)CC2)s1 ZINC000621328740 399755364 /nfs/dbraw/zinc/75/53/64/399755364.db2.gz BGQQWEYDVNYCEB-UHFFFAOYSA-N 1 3 309.523 2.818 20 0 DFADHO CN(C)[C@@H]1CCC[N@H+](CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000496140264 300021002 /nfs/dbraw/zinc/02/10/02/300021002.db2.gz HTOMSUAXWOOMLY-OAHLLOKOSA-N 1 3 313.486 2.660 20 0 DFADHO CN(C)[C@@H]1CCC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000496140264 300021003 /nfs/dbraw/zinc/02/10/03/300021003.db2.gz HTOMSUAXWOOMLY-OAHLLOKOSA-N 1 3 313.486 2.660 20 0 DFADHO CCC[NH+]1CCC(NCCc2csc(N3CCCC3)n2)CC1 ZINC000129427200 542623877 /nfs/dbraw/zinc/62/38/77/542623877.db2.gz WTQYBCSWVRLGDA-UHFFFAOYSA-N 1 3 322.522 2.750 20 0 DFADHO CN(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccc(Cl)cc1 ZINC000629965525 399772485 /nfs/dbraw/zinc/77/24/85/399772485.db2.gz FVCFSQSQCGEGLX-MRXNPFEDSA-N 1 3 323.868 2.543 20 0 DFADHO CN(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccc(Cl)cc1 ZINC000629965525 399772487 /nfs/dbraw/zinc/77/24/87/399772487.db2.gz FVCFSQSQCGEGLX-MRXNPFEDSA-N 1 3 323.868 2.543 20 0 DFADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC000151956134 542671750 /nfs/dbraw/zinc/67/17/50/542671750.db2.gz NETFAILIECMIIS-DLBZAZTESA-N 1 3 305.466 2.512 20 0 DFADHO CN(CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000166251516 542749435 /nfs/dbraw/zinc/74/94/35/542749435.db2.gz VTOXNQPJIUBDRA-HZPDHXFCSA-N 1 3 305.441 2.868 20 0 DFADHO CN(CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000166251516 542749438 /nfs/dbraw/zinc/74/94/38/542749438.db2.gz VTOXNQPJIUBDRA-HZPDHXFCSA-N 1 3 305.441 2.868 20 0 DFADHO C[NH+](C)CCCOc1cccc(NC(=O)C2(N)CCCCC2)c1 ZINC000168773350 542754830 /nfs/dbraw/zinc/75/48/30/542754830.db2.gz JXGOZWJABWLKGT-UHFFFAOYSA-N 1 3 319.449 2.617 20 0 DFADHO CN(C)CCc1ccccc1NC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000632937595 399800775 /nfs/dbraw/zinc/80/07/75/399800775.db2.gz JMRTVNSTCRSZQJ-INIZCTEOSA-N 1 3 318.465 2.526 20 0 DFADHO Cc1ccc([C@@H](CNC(=O)CC2([NH3+])CCC2)N2CCCC2)cc1 ZINC000237876897 542906898 /nfs/dbraw/zinc/90/68/98/542906898.db2.gz QTFWMCVXTHUTSM-QGZVFWFLSA-N 1 3 315.461 2.520 20 0 DFADHO CCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCN(CC)C1 ZINC000617924917 399834426 /nfs/dbraw/zinc/83/44/26/399834426.db2.gz BBVBETHKZGMTSO-ROUUACIJSA-N 1 3 317.477 2.622 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN(C)C)c1C ZINC000293770348 543021104 /nfs/dbraw/zinc/02/11/04/543021104.db2.gz SPCQCNORGXDVMK-UKRRQHHQSA-N 1 3 305.466 2.808 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NC[C@@H](C)C[NH+](C)C)c1C ZINC000293770348 543021106 /nfs/dbraw/zinc/02/11/06/543021106.db2.gz SPCQCNORGXDVMK-UKRRQHHQSA-N 1 3 305.466 2.808 20 0 DFADHO OC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCCC1 ZINC000305881534 543063304 /nfs/dbraw/zinc/06/33/04/543063304.db2.gz VHBHUKFDBPXINI-CEXWTWQISA-N 1 3 314.473 2.792 20 0 DFADHO C[C@@H](CCc1ccccc1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388512 399843284 /nfs/dbraw/zinc/84/32/84/399843284.db2.gz HYEHFSULIOJPIM-ICSRJNTNSA-N 1 3 315.505 2.720 20 0 DFADHO C[C@@H](CCc1ccccc1)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388512 399843287 /nfs/dbraw/zinc/84/32/87/399843287.db2.gz HYEHFSULIOJPIM-ICSRJNTNSA-N 1 3 315.505 2.720 20 0 DFADHO CC(C)C([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000681217194 545612549 /nfs/dbraw/zinc/61/25/49/545612549.db2.gz OOVZQPJNYXBIDV-KRWDZBQOSA-N 1 3 319.493 2.676 20 0 DFADHO c1ccc(CN2CCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000339069647 543139733 /nfs/dbraw/zinc/13/97/33/543139733.db2.gz YUTWNLHHIUMKSL-XUVXKRRUSA-N 1 3 313.489 2.867 20 0 DFADHO c1ccc(CN2CCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339069647 543139735 /nfs/dbraw/zinc/13/97/35/543139735.db2.gz YUTWNLHHIUMKSL-XUVXKRRUSA-N 1 3 313.489 2.867 20 0 DFADHO CCSc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000339678107 543146465 /nfs/dbraw/zinc/14/64/65/543146465.db2.gz RKGNKDQICUVSEG-AWEZNQCLSA-N 1 3 308.491 2.906 20 0 DFADHO CCN(C[C@H]1CCCO1)[C@@H](C)CC[N@H+](CC)C[C@@H]1CCCO1 ZINC000343606527 543168125 /nfs/dbraw/zinc/16/81/25/543168125.db2.gz XLNKJEYRXOCXPH-OKZBNKHCSA-N 1 3 312.498 2.767 20 0 DFADHO CCN(C[C@H]1CCCO1)[C@@H](C)CC[N@@H+](CC)C[C@@H]1CCCO1 ZINC000343606527 543168127 /nfs/dbraw/zinc/16/81/27/543168127.db2.gz XLNKJEYRXOCXPH-OKZBNKHCSA-N 1 3 312.498 2.767 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN(C2CC2)C2CCC(C)CC2)CC1 ZINC000052103883 425884250 /nfs/dbraw/zinc/88/42/50/425884250.db2.gz HYLUNAJRFVINSK-UHFFFAOYSA-N 1 3 321.509 2.630 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000348385282 543184715 /nfs/dbraw/zinc/18/47/15/543184715.db2.gz WAOXBLBNPUPJMZ-GUDVDZBRSA-N 1 3 300.446 2.531 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@](C)(CO)Cc1ccccc1 ZINC000357815037 543264127 /nfs/dbraw/zinc/26/41/27/543264127.db2.gz VESMVOSHUFHWQY-FPAYPSAMSA-N 1 3 304.478 2.546 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@](C)(CO)Cc1ccccc1 ZINC000357815037 543264131 /nfs/dbraw/zinc/26/41/31/543264131.db2.gz VESMVOSHUFHWQY-FPAYPSAMSA-N 1 3 304.478 2.546 20 0 DFADHO COc1cc2c(cc1OC)[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000358758336 543269278 /nfs/dbraw/zinc/26/92/78/543269278.db2.gz SELUSGCKKRCWIK-IVMMDQJWSA-N 1 3 304.434 2.763 20 0 DFADHO COc1cc2c(cc1OC)[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000358758336 543269281 /nfs/dbraw/zinc/26/92/81/543269281.db2.gz SELUSGCKKRCWIK-IVMMDQJWSA-N 1 3 304.434 2.763 20 0 DFADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccccc1Cl)C2 ZINC000390759601 543306858 /nfs/dbraw/zinc/30/68/58/543306858.db2.gz YTRLDPSCCBZVIJ-GUYCJALGSA-N 1 3 321.852 2.729 20 0 DFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccccc1Cl)C2 ZINC000390759601 543306859 /nfs/dbraw/zinc/30/68/59/543306859.db2.gz YTRLDPSCCBZVIJ-GUYCJALGSA-N 1 3 321.852 2.729 20 0 DFADHO [NH3+]C[C@]12CCC[C@H]1CN(CCC(=O)Nc1ccccc1Cl)C2 ZINC000390759601 543306861 /nfs/dbraw/zinc/30/68/61/543306861.db2.gz YTRLDPSCCBZVIJ-GUYCJALGSA-N 1 3 321.852 2.729 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CCOCC1 ZINC000165347230 145229013 /nfs/dbraw/zinc/22/90/13/145229013.db2.gz JCAVKIUHBRDUSB-MJGOQNOKSA-N 1 3 316.489 2.956 20 0 DFADHO CC[C@@H](N)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414982682 543328322 /nfs/dbraw/zinc/32/83/22/543328322.db2.gz SCPBWNSCXYXLDJ-LLVKDONJSA-N 1 3 308.223 2.824 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000414932957 543328462 /nfs/dbraw/zinc/32/84/62/543328462.db2.gz WGAQSELTOLEVTJ-JYJNAYRXSA-N 1 3 303.450 2.880 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H](N)C2)c(C)c1 ZINC000414932957 543328463 /nfs/dbraw/zinc/32/84/63/543328463.db2.gz WGAQSELTOLEVTJ-JYJNAYRXSA-N 1 3 303.450 2.880 20 0 DFADHO C[C@H](CNCCC[NH3+])Sc1ccc(Br)cc1 ZINC000415084207 543328715 /nfs/dbraw/zinc/32/87/15/543328715.db2.gz GCLILPZUKJNDKT-SNVBAGLBSA-N 1 3 303.269 2.868 20 0 DFADHO C[C@H](C[NH2+]CCCN)Sc1ccc(Br)cc1 ZINC000415084207 543328718 /nfs/dbraw/zinc/32/87/18/543328718.db2.gz GCLILPZUKJNDKT-SNVBAGLBSA-N 1 3 303.269 2.868 20 0 DFADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000173615251 145348940 /nfs/dbraw/zinc/34/89/40/145348940.db2.gz XBNACQWHHVGBHR-HWOWSKLDSA-N 1 3 309.498 2.532 20 0 DFADHO O=c1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c[nH]1 ZINC000631112825 399982864 /nfs/dbraw/zinc/98/28/64/399982864.db2.gz XZWDQJSGBHFGNS-GUDVDZBRSA-N 1 3 323.440 2.787 20 0 DFADHO O=c1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c[nH]1 ZINC000631112825 399982866 /nfs/dbraw/zinc/98/28/66/399982866.db2.gz XZWDQJSGBHFGNS-GUDVDZBRSA-N 1 3 323.440 2.787 20 0 DFADHO O=c1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c[nH]1 ZINC000631112825 399982869 /nfs/dbraw/zinc/98/28/69/399982869.db2.gz XZWDQJSGBHFGNS-GUDVDZBRSA-N 1 3 323.440 2.787 20 0 DFADHO CC[NH+]1CCC(CCNCc2cccc(NC(C)=O)c2)CC1 ZINC000631078514 399976279 /nfs/dbraw/zinc/97/62/79/399976279.db2.gz HOHLAQJFLXPATA-UHFFFAOYSA-N 1 3 303.450 2.857 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(=O)[nH]c1 ZINC000631082858 399977143 /nfs/dbraw/zinc/97/71/43/399977143.db2.gz IQGYBSMQQZBVRL-CRAIPNDOSA-N 1 3 311.429 2.787 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(=O)[nH]c1 ZINC000631082858 399977144 /nfs/dbraw/zinc/97/71/44/399977144.db2.gz IQGYBSMQQZBVRL-CRAIPNDOSA-N 1 3 311.429 2.787 20 0 DFADHO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CO1 ZINC000631194539 400000399 /nfs/dbraw/zinc/00/03/99/400000399.db2.gz LYTDIDYFRLNLGD-WZGPROSRSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@@H]1C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000631194539 400000400 /nfs/dbraw/zinc/00/04/00/400000400.db2.gz LYTDIDYFRLNLGD-WZGPROSRSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000631194539 400000401 /nfs/dbraw/zinc/00/04/01/400000401.db2.gz LYTDIDYFRLNLGD-WZGPROSRSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)CO1 ZINC000631194541 400000450 /nfs/dbraw/zinc/00/04/50/400000450.db2.gz LYTDIDYFRLNLGD-XGXHKWSGSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@@H]1C[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CO1 ZINC000631194541 400000451 /nfs/dbraw/zinc/00/04/51/400000451.db2.gz LYTDIDYFRLNLGD-XGXHKWSGSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@@H]1C[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CO1 ZINC000631194541 400000452 /nfs/dbraw/zinc/00/04/52/400000452.db2.gz LYTDIDYFRLNLGD-XGXHKWSGSA-N 1 3 302.462 2.912 20 0 DFADHO Cc1ccc([C@H](C)C[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000628202328 400000595 /nfs/dbraw/zinc/00/05/95/400000595.db2.gz PEPBSVBJFXZQOV-GOSISDBHSA-N 1 3 303.494 2.716 20 0 DFADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000628214293 400003152 /nfs/dbraw/zinc/00/31/52/400003152.db2.gz RTEZOWNHYCCMHD-KURKYZTESA-N 1 3 307.526 2.961 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2cnc(C3CC3)o2)C[C@H](C)O1 ZINC000628218303 400003543 /nfs/dbraw/zinc/00/35/43/400003543.db2.gz ARLUJFGZCHXRDY-KBPBESRZSA-N 1 3 307.438 2.531 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C1CC(F)(F)C1 ZINC000628337278 400022420 /nfs/dbraw/zinc/02/24/20/400022420.db2.gz ATDISPLRWPCRPV-DYVFJYSZSA-N 1 3 324.415 2.777 20 0 DFADHO c1ccc2nc(CNCC3CC[NH+](CC4CC4)CC3)cnc2c1 ZINC000628352875 400025099 /nfs/dbraw/zinc/02/50/99/400025099.db2.gz XPDZLQRMUPOMPN-UHFFFAOYSA-N 1 3 310.445 2.841 20 0 DFADHO COc1cccc2c1OCCC[C@H]2NCC1=CC[N@H+](C)CC1 ZINC000631605808 400057734 /nfs/dbraw/zinc/05/77/34/400057734.db2.gz GYLKLKDRUXXPGY-MRXNPFEDSA-N 1 3 302.418 2.760 20 0 DFADHO COc1cccc2c1OCCC[C@H]2NCC1=CC[N@@H+](C)CC1 ZINC000631605808 400057735 /nfs/dbraw/zinc/05/77/35/400057735.db2.gz GYLKLKDRUXXPGY-MRXNPFEDSA-N 1 3 302.418 2.760 20 0 DFADHO COc1ccc2c(c1)CC[C@H]2NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000631621797 400059020 /nfs/dbraw/zinc/05/90/20/400059020.db2.gz LDTACJZPJURTPT-HNAYVOBHSA-N 1 3 318.461 2.773 20 0 DFADHO COc1ccc2c(c1)CC[C@H]2NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000631621797 400059022 /nfs/dbraw/zinc/05/90/22/400059022.db2.gz LDTACJZPJURTPT-HNAYVOBHSA-N 1 3 318.461 2.773 20 0 DFADHO C[C@@H]1C[N@H+](CCCN[C@H]2CCCc3ncccc32)CCCO1 ZINC000631621725 400059065 /nfs/dbraw/zinc/05/90/65/400059065.db2.gz JSTFLYLUDQQZFX-QAPCUYQASA-N 1 3 303.450 2.550 20 0 DFADHO C[C@@H]1C[N@@H+](CCCN[C@H]2CCCc3ncccc32)CCCO1 ZINC000631621725 400059066 /nfs/dbraw/zinc/05/90/66/400059066.db2.gz JSTFLYLUDQQZFX-QAPCUYQASA-N 1 3 303.450 2.550 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)Nc2cc(CN(C)C)ccc2C)CC[N@@H+]1C ZINC000631624504 400059330 /nfs/dbraw/zinc/05/93/30/400059330.db2.gz BAYJZSWAEBWZRN-DOTOQJQBSA-N 1 3 303.450 2.725 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)Nc2cc(CN(C)C)ccc2C)CC[N@H+]1C ZINC000631624504 400059331 /nfs/dbraw/zinc/05/93/31/400059331.db2.gz BAYJZSWAEBWZRN-DOTOQJQBSA-N 1 3 303.450 2.725 20 0 DFADHO CC(C)[C@H]1CN([C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCN1C ZINC000631793438 400075671 /nfs/dbraw/zinc/07/56/71/400075671.db2.gz GZZJVDUXHUFEKR-DFQSSKMNSA-N 1 3 315.505 2.921 20 0 DFADHO CC(C)[C@H]1CN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000631793438 400075672 /nfs/dbraw/zinc/07/56/72/400075672.db2.gz GZZJVDUXHUFEKR-DFQSSKMNSA-N 1 3 315.505 2.921 20 0 DFADHO c1cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c2c(c1)COCC2 ZINC000631827664 400078217 /nfs/dbraw/zinc/07/82/17/400078217.db2.gz UFGVPWYRPBLJQC-HNAYVOBHSA-N 1 3 300.446 2.723 20 0 DFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CCCCC[C@H](N)C1 ZINC000631835090 400078546 /nfs/dbraw/zinc/07/85/46/400078546.db2.gz MHEKWASVQAWJPV-HNNXBMFYSA-N 1 3 319.449 2.617 20 0 DFADHO CCOc1ccccc1NC(=O)CC[N@H+]1CCCCC[C@H](N)C1 ZINC000631835090 400078547 /nfs/dbraw/zinc/07/85/47/400078547.db2.gz MHEKWASVQAWJPV-HNNXBMFYSA-N 1 3 319.449 2.617 20 0 DFADHO C[C@H](NCCOCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000219323875 146000564 /nfs/dbraw/zinc/00/05/64/146000564.db2.gz LNOXSQBMDZOVNY-LBPRGKRZSA-N 1 3 304.356 2.934 20 0 DFADHO C[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)N1[C@H](C)CC[C@H]1C ZINC000245200349 146063188 /nfs/dbraw/zinc/06/31/88/146063188.db2.gz AIDROUOLONDNSG-RBSFLKMASA-N 1 3 309.498 2.627 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000245590635 146085227 /nfs/dbraw/zinc/08/52/27/146085227.db2.gz GGERRKVELQDFOZ-FUHWJXTLSA-N 1 3 310.482 2.521 20 0 DFADHO COc1cc(OC)cc([C@@H]2CC[N@H+](CC[C@H]3CCCN3C)C2)c1 ZINC000245573389 146086017 /nfs/dbraw/zinc/08/60/17/146086017.db2.gz AFKLBBUEGZNNHL-NVXWUHKLSA-N 1 3 318.461 2.977 20 0 DFADHO COc1cc(OC)cc([C@@H]2CC[N@@H+](CC[C@H]3CCCN3C)C2)c1 ZINC000245573389 146086019 /nfs/dbraw/zinc/08/60/19/146086019.db2.gz AFKLBBUEGZNNHL-NVXWUHKLSA-N 1 3 318.461 2.977 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000245749810 146099200 /nfs/dbraw/zinc/09/92/00/146099200.db2.gz NMZGYQLKCFSDDA-FUHWJXTLSA-N 1 3 320.477 2.874 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000245749810 146099203 /nfs/dbraw/zinc/09/92/03/146099203.db2.gz NMZGYQLKCFSDDA-FUHWJXTLSA-N 1 3 320.477 2.874 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2cccc(OC)c2)[C@@H](C)C1 ZINC000247104348 146161974 /nfs/dbraw/zinc/16/19/74/146161974.db2.gz OUZXXSNKXXTTBD-DAYGRLMNSA-N 1 3 306.450 2.782 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](C)Oc2cccc(OC)c2)[C@@H](C)C1 ZINC000247104348 146161976 /nfs/dbraw/zinc/16/19/76/146161976.db2.gz OUZXXSNKXXTTBD-DAYGRLMNSA-N 1 3 306.450 2.782 20 0 DFADHO c1cnn(-c2ccccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000261621396 146248297 /nfs/dbraw/zinc/24/82/97/146248297.db2.gz AYDCMJASPHYTEK-KZNAEPCWSA-N 1 3 310.445 2.883 20 0 DFADHO CCOc1ccccc1OCCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261650602 146253976 /nfs/dbraw/zinc/25/39/76/146253976.db2.gz FCTRTCVKSXNRIC-QGZVFWFLSA-N 1 3 318.461 2.928 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OC(F)(F)F)cc3)C[C@@H]12 ZINC000261716347 146265078 /nfs/dbraw/zinc/26/50/78/146265078.db2.gz PPEGQQJAQXDAFX-MRVWCRGKSA-N 1 3 300.324 2.754 20 0 DFADHO COc1c(C)cnc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1C ZINC000261829584 146284725 /nfs/dbraw/zinc/28/47/25/146284725.db2.gz BJOVYRSKCSJZGO-INIZCTEOSA-N 1 3 303.450 2.671 20 0 DFADHO C[C@@H](O)CN(C[C@@H]1CCC[NH2+]C1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000261886937 146294861 /nfs/dbraw/zinc/29/48/61/146294861.db2.gz XBFWXKYDNYCSQH-ZMSDIMECSA-N 1 3 324.896 2.953 20 0 DFADHO C[C@@H](O)C[N@H+](C[C@@H]1CCCNC1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000261886937 146294864 /nfs/dbraw/zinc/29/48/64/146294864.db2.gz XBFWXKYDNYCSQH-ZMSDIMECSA-N 1 3 324.896 2.953 20 0 DFADHO C[C@@H](O)C[N@@H+](C[C@@H]1CCCNC1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000261886937 146294867 /nfs/dbraw/zinc/29/48/67/146294867.db2.gz XBFWXKYDNYCSQH-ZMSDIMECSA-N 1 3 324.896 2.953 20 0 DFADHO CC[NH+](CC)CC1CCN(C(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000261949519 146308395 /nfs/dbraw/zinc/30/83/95/146308395.db2.gz WDOJMWFNMOKBMX-GOSISDBHSA-N 1 3 323.525 2.865 20 0 DFADHO CCCOc1ccc(OCCN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000262027893 146323938 /nfs/dbraw/zinc/32/39/38/146323938.db2.gz YINVRCOYOYGBQA-HNNXBMFYSA-N 1 3 306.450 2.913 20 0 DFADHO COc1cc(CN2CCC([C@@H](C)[NH3+])CC2)ccc1OC(F)F ZINC000262033129 146325063 /nfs/dbraw/zinc/32/50/63/146325063.db2.gz ZASGNTRXGSMBGV-LLVKDONJSA-N 1 3 314.376 2.856 20 0 DFADHO COc1ccccc1CC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262057876 146328373 /nfs/dbraw/zinc/32/83/73/146328373.db2.gz QWIKDYBOYSAQQF-IBGZPJMESA-N 1 3 302.462 2.949 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3ccccc3Cl)C[C@@H]21 ZINC000262099676 146333174 /nfs/dbraw/zinc/33/31/74/146333174.db2.gz ISSDVUPJBCMQMZ-VNHYZAJKSA-N 1 3 321.852 2.728 20 0 DFADHO c1ccc2c(c1)C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)O2 ZINC000262326103 146351062 /nfs/dbraw/zinc/35/10/62/146351062.db2.gz RQDNJUXMYZZKBZ-VSZNYVQBSA-N 1 3 300.446 2.891 20 0 DFADHO CCC[C@](C)(N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000262565482 146372702 /nfs/dbraw/zinc/37/27/02/146372702.db2.gz LDVDMXLTBSDBEQ-SFHVURJKSA-N 1 3 309.498 2.619 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000262692963 146383276 /nfs/dbraw/zinc/38/32/76/146383276.db2.gz ARIJIOGJNXNOGU-CRAIPNDOSA-N 1 3 303.450 2.903 20 0 DFADHO CN1CCC[C@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)CC[C@H]21 ZINC000355225432 147230749 /nfs/dbraw/zinc/23/07/49/147230749.db2.gz RTLNTEFTTGSABZ-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)CC[C@H]21 ZINC000355225432 147230752 /nfs/dbraw/zinc/23/07/52/147230752.db2.gz RTLNTEFTTGSABZ-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO CSC1(CNc2ccnc3ccccc32)CC[NH+](C)CC1 ZINC000357547061 148032652 /nfs/dbraw/zinc/03/26/52/148032652.db2.gz KQAUJMJEPLEQDJ-UHFFFAOYSA-N 1 3 301.459 2.896 20 0 DFADHO COc1cc2c(cc1OC)[C@H](N1CCC(C[NH+](C)C)CC1)CC2 ZINC000637907950 543494639 /nfs/dbraw/zinc/49/46/39/543494639.db2.gz VUOWZOKJSGOMKC-QGZVFWFLSA-N 1 3 318.461 2.965 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1OC ZINC000425914063 296604308 /nfs/dbraw/zinc/60/43/08/296604308.db2.gz AUCMELHWWIKMMM-HIFRSBDPSA-N 1 3 308.466 2.731 20 0 DFADHO CC[NH+](CC)CCOCCNCc1ccc(Cl)c(F)c1 ZINC000350319612 286027973 /nfs/dbraw/zinc/02/79/73/286027973.db2.gz PSUQGCMQDKVCHR-UHFFFAOYSA-N 1 3 302.821 2.927 20 0 DFADHO Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358517880 148382022 /nfs/dbraw/zinc/38/20/22/148382022.db2.gz PYLZOODJKSCGMZ-MRXNPFEDSA-N 1 3 315.461 2.706 20 0 DFADHO CCc1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000350549494 286057002 /nfs/dbraw/zinc/05/70/02/286057002.db2.gz BWMKWCYFQHLWJD-UHFFFAOYSA-N 1 3 319.493 2.692 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNCC2CC[NH+](C)CC2)c1 ZINC000361023057 149011538 /nfs/dbraw/zinc/01/15/38/149011538.db2.gz KSFGPTLBEPYYND-UHFFFAOYSA-N 1 3 310.825 2.558 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361030787 149012550 /nfs/dbraw/zinc/01/25/50/149012550.db2.gz LQORDIONKPNZNO-LMCOJAPRSA-N 1 3 313.489 2.723 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361030787 149012554 /nfs/dbraw/zinc/01/25/54/149012554.db2.gz LQORDIONKPNZNO-LMCOJAPRSA-N 1 3 313.489 2.723 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc(OCCN(C)C)c1 ZINC000361075563 149023040 /nfs/dbraw/zinc/02/30/40/149023040.db2.gz HJKMDUJVOSWSLY-NVXWUHKLSA-N 1 3 317.477 2.514 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H](CO)CC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000361435399 149115183 /nfs/dbraw/zinc/11/51/83/149115183.db2.gz LNABFJPLRMGAIG-VNQPRFMTSA-N 1 3 312.404 2.645 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H](CO)CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000361435399 149115185 /nfs/dbraw/zinc/11/51/85/149115185.db2.gz LNABFJPLRMGAIG-VNQPRFMTSA-N 1 3 312.404 2.645 20 0 DFADHO CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC1CCC1 ZINC000361480935 149126772 /nfs/dbraw/zinc/12/67/72/149126772.db2.gz HWZWADDZJYYDTK-SFHVURJKSA-N 1 3 317.477 2.528 20 0 DFADHO CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC1CCC1 ZINC000361480935 149126775 /nfs/dbraw/zinc/12/67/75/149126775.db2.gz HWZWADDZJYYDTK-SFHVURJKSA-N 1 3 317.477 2.528 20 0 DFADHO Cc1cccc(NC2CCN(CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000361769098 149214058 /nfs/dbraw/zinc/21/40/58/149214058.db2.gz RZWKBIQEOFHYME-QGZVFWFLSA-N 1 3 302.466 2.751 20 0 DFADHO Cc1cccc(NC2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000361769098 149214059 /nfs/dbraw/zinc/21/40/59/149214059.db2.gz RZWKBIQEOFHYME-QGZVFWFLSA-N 1 3 302.466 2.751 20 0 DFADHO Cc1cccc(NC2CC[NH+](CC[C@H]3CCCN3C)CC2)n1 ZINC000361769098 149214062 /nfs/dbraw/zinc/21/40/62/149214062.db2.gz RZWKBIQEOFHYME-QGZVFWFLSA-N 1 3 302.466 2.751 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(OCc4cccnc4)cc3)C[C@H]12 ZINC000351480900 286131058 /nfs/dbraw/zinc/13/10/58/286131058.db2.gz WGJADRQAQBNMIC-YSIASYRMSA-N 1 3 323.440 2.830 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3CCCCCC[C@@H]32)CC1 ZINC000371208184 150004140 /nfs/dbraw/zinc/00/41/40/150004140.db2.gz HBIKFXLIKFTZQE-WMZOPIPTSA-N 1 3 321.509 2.630 20 0 DFADHO Cc1ccc(CCN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371295591 150018383 /nfs/dbraw/zinc/01/83/83/150018383.db2.gz SRRJBLBZCWWKMD-IPMKNSEASA-N 1 3 302.462 2.721 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@H](c3ccccc3)C3CC3)C2)CC1 ZINC000371401523 150038822 /nfs/dbraw/zinc/03/88/22/150038822.db2.gz POIQXRPODXCEIG-UYAOXDASSA-N 1 3 313.489 2.896 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H](c3ccccc3)C3CC3)C2)CC1 ZINC000371401521 150039412 /nfs/dbraw/zinc/03/94/12/150039412.db2.gz POIQXRPODXCEIG-ICSRJNTNSA-N 1 3 313.489 2.896 20 0 DFADHO Cc1noc(C2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)n1 ZINC000371449759 150049592 /nfs/dbraw/zinc/04/95/92/150049592.db2.gz XAUJUIISCPFAMS-FJBKBRRZSA-N 1 3 304.438 2.621 20 0 DFADHO CC(C)NC(=O)CC[N@H+](C)C1CCN(C2CCC(C)CC2)CC1 ZINC000371498175 150056467 /nfs/dbraw/zinc/05/64/67/150056467.db2.gz WLWAIDGKSOXLST-UHFFFAOYSA-N 1 3 323.525 2.876 20 0 DFADHO CC(C)NC(=O)CC[N@@H+](C)C1CCN(C2CCC(C)CC2)CC1 ZINC000371498175 150056470 /nfs/dbraw/zinc/05/64/70/150056470.db2.gz WLWAIDGKSOXLST-UHFFFAOYSA-N 1 3 323.525 2.876 20 0 DFADHO C[N@H+](CCCn1ccnc1)CC1CCN(c2ccncc2)CC1 ZINC000372944014 150205252 /nfs/dbraw/zinc/20/52/52/150205252.db2.gz IIKITXISOJKQNC-UHFFFAOYSA-N 1 3 313.449 2.517 20 0 DFADHO C[N@@H+](CCCn1ccnc1)CC1CCN(c2ccncc2)CC1 ZINC000372944014 150205255 /nfs/dbraw/zinc/20/52/55/150205255.db2.gz IIKITXISOJKQNC-UHFFFAOYSA-N 1 3 313.449 2.517 20 0 DFADHO OCCCCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374065702 150300723 /nfs/dbraw/zinc/30/07/23/150300723.db2.gz MOLILFFXLLNSJM-IBGZPJMESA-N 1 3 302.462 2.747 20 0 DFADHO OCCCCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374065702 150300724 /nfs/dbraw/zinc/30/07/24/150300724.db2.gz MOLILFFXLLNSJM-IBGZPJMESA-N 1 3 302.462 2.747 20 0 DFADHO COc1cc(CN2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)ccn1 ZINC000374298727 150339426 /nfs/dbraw/zinc/33/94/26/150339426.db2.gz WHYDJEVQGLATPL-INIZCTEOSA-N 1 3 315.461 2.787 20 0 DFADHO COc1cc(CN2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)ccn1 ZINC000374298727 150339430 /nfs/dbraw/zinc/33/94/30/150339430.db2.gz WHYDJEVQGLATPL-INIZCTEOSA-N 1 3 315.461 2.787 20 0 DFADHO Cc1sccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000351699653 286197278 /nfs/dbraw/zinc/19/72/78/286197278.db2.gz CJJARDYLIWRLMI-PBHICJAKSA-N 1 3 307.507 2.514 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000352018056 286271040 /nfs/dbraw/zinc/27/10/40/286271040.db2.gz MZZLCIAAZDTZTM-PKOBYXMFSA-N 1 3 300.446 2.940 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000352018056 286271041 /nfs/dbraw/zinc/27/10/41/286271041.db2.gz MZZLCIAAZDTZTM-PKOBYXMFSA-N 1 3 300.446 2.940 20 0 DFADHO CCN1CCC[C@@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352273769 286333840 /nfs/dbraw/zinc/33/38/40/286333840.db2.gz QEPLKIZLASEWCD-INIZCTEOSA-N 1 3 312.461 2.909 20 0 DFADHO CC[N@@H+]1CCC[C@@H](CNCc2ccccc2-c2ccnn2C)C1 ZINC000352273769 286333842 /nfs/dbraw/zinc/33/38/42/286333842.db2.gz QEPLKIZLASEWCD-INIZCTEOSA-N 1 3 312.461 2.909 20 0 DFADHO CC[N@H+]1CCC[C@@H](CNCc2ccccc2-c2ccnn2C)C1 ZINC000352273769 286333844 /nfs/dbraw/zinc/33/38/44/286333844.db2.gz QEPLKIZLASEWCD-INIZCTEOSA-N 1 3 312.461 2.909 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](c1ccc(F)cn1)C(C)C ZINC000354085616 286443154 /nfs/dbraw/zinc/44/31/54/286443154.db2.gz JTJXCXXPOWXDES-WBVHZDCISA-N 1 3 311.445 2.864 20 0 DFADHO CCC[NH+]1CCC(CNCc2c(OC)cccc2OC)CC1 ZINC000352749664 286457583 /nfs/dbraw/zinc/45/75/83/286457583.db2.gz NQJHHOZINYLZQJ-UHFFFAOYSA-N 1 3 306.450 2.915 20 0 DFADHO CN(CCN1CCC([NH+]2CCCC2)CC1)Cc1ccc(F)cc1 ZINC000185187719 158047879 /nfs/dbraw/zinc/04/78/79/158047879.db2.gz JEDYNNKQLGDPBL-UHFFFAOYSA-N 1 3 319.468 2.818 20 0 DFADHO CC[C@@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)N(C)C ZINC000247130464 158119293 /nfs/dbraw/zinc/11/92/93/158119293.db2.gz ASLFRIZBISKIRY-AEFFLSMTSA-N 1 3 323.525 2.830 20 0 DFADHO CC[C@@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)N(C)C ZINC000247130464 158119295 /nfs/dbraw/zinc/11/92/95/158119295.db2.gz ASLFRIZBISKIRY-AEFFLSMTSA-N 1 3 323.525 2.830 20 0 DFADHO CCN1CCC[C@@H]([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000247177155 158121861 /nfs/dbraw/zinc/12/18/61/158121861.db2.gz UXOCBZLTVJUFIE-SJLPKXTDSA-N 1 3 319.493 2.762 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CCN(c3c(F)cccc3F)C2)CC[N@@H+]1C ZINC000247184215 158122222 /nfs/dbraw/zinc/12/22/22/158122222.db2.gz UAVYRYWUCMWJMH-MCIONIFRSA-N 1 3 309.404 2.616 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CCN(c3c(F)cccc3F)C2)CC[N@H+]1C ZINC000247184215 158122223 /nfs/dbraw/zinc/12/22/23/158122223.db2.gz UAVYRYWUCMWJMH-MCIONIFRSA-N 1 3 309.404 2.616 20 0 DFADHO CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1OC ZINC000247237647 158124305 /nfs/dbraw/zinc/12/43/05/158124305.db2.gz YUKJBQGHIYBMKJ-IJEWVQPXSA-N 1 3 306.450 2.912 20 0 DFADHO CC(=O)Nc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000247305255 158127812 /nfs/dbraw/zinc/12/78/12/158127812.db2.gz ZXJHHCZRZOGICO-WMZOPIPTSA-N 1 3 301.434 2.561 20 0 DFADHO CC(=O)Nc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000247305255 158127814 /nfs/dbraw/zinc/12/78/14/158127814.db2.gz ZXJHHCZRZOGICO-WMZOPIPTSA-N 1 3 301.434 2.561 20 0 DFADHO C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1cccc(OCCN(C)C)c1 ZINC000247923567 158151421 /nfs/dbraw/zinc/15/14/21/158151421.db2.gz BLAKIKWWALVVLR-HRCADAONSA-N 1 3 308.466 2.685 20 0 DFADHO COc1ccc([C@H](C)NCCCC[N@@H+]2CCC[C@H]2CO)c(F)c1 ZINC000247991367 158156835 /nfs/dbraw/zinc/15/68/35/158156835.db2.gz JLNRNVBVMQOZHZ-GJZGRUSLSA-N 1 3 324.440 2.722 20 0 DFADHO COc1ccc([C@H](C)NCCCC[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000247991367 158156836 /nfs/dbraw/zinc/15/68/36/158156836.db2.gz JLNRNVBVMQOZHZ-GJZGRUSLSA-N 1 3 324.440 2.722 20 0 DFADHO C[C@@H]1C[C@@H](NC[C@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000248031291 158157642 /nfs/dbraw/zinc/15/76/42/158157642.db2.gz QMLLMNWKHNCOEB-OWCLPIDISA-N 1 3 307.507 2.957 20 0 DFADHO C[C@@H]1C[C@@H](NC[C@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000248031291 158157643 /nfs/dbraw/zinc/15/76/43/158157643.db2.gz QMLLMNWKHNCOEB-OWCLPIDISA-N 1 3 307.507 2.957 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)CCN1C ZINC000248031291 158157645 /nfs/dbraw/zinc/15/76/45/158157645.db2.gz QMLLMNWKHNCOEB-OWCLPIDISA-N 1 3 307.507 2.957 20 0 DFADHO C[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248406454 158173310 /nfs/dbraw/zinc/17/33/10/158173310.db2.gz SJVOZGCFDJLRJE-WZGPROSRSA-N 1 3 302.462 2.648 20 0 DFADHO CC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248417949 158174013 /nfs/dbraw/zinc/17/40/13/158174013.db2.gz RTVHIXHQPCSCDJ-MANSERQUSA-N 1 3 302.462 2.648 20 0 DFADHO C[C@H](O)[C@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000248755889 158200583 /nfs/dbraw/zinc/20/05/83/158200583.db2.gz CQPBSZMDDBEHBO-VNVJMFPYSA-N 1 3 316.489 2.831 20 0 DFADHO C[C@H](O)[C@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000248755889 158200585 /nfs/dbraw/zinc/20/05/85/158200585.db2.gz CQPBSZMDDBEHBO-VNVJMFPYSA-N 1 3 316.489 2.831 20 0 DFADHO C[N@H+](CC1CCN(c2ccncc2)CC1)C[C@@H]1CCCOC1 ZINC000354889286 158242065 /nfs/dbraw/zinc/24/20/65/158242065.db2.gz YWAZAVVHEIUOKZ-KRWDZBQOSA-N 1 3 303.450 2.656 20 0 DFADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)C[C@@H]1CCCOC1 ZINC000354889286 158242067 /nfs/dbraw/zinc/24/20/67/158242067.db2.gz YWAZAVVHEIUOKZ-KRWDZBQOSA-N 1 3 303.450 2.656 20 0 DFADHO C[C@@H](c1ccccc1F)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000355062930 158264153 /nfs/dbraw/zinc/26/41/53/158264153.db2.gz HSWFKBOSYNPGKT-CVEARBPZSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@@H](c1ccccc1F)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000355062930 158264154 /nfs/dbraw/zinc/26/41/54/158264154.db2.gz HSWFKBOSYNPGKT-CVEARBPZSA-N 1 3 319.468 2.987 20 0 DFADHO CC(C)[NH+](CCN(C)C(=O)c1cccc(CN(C)C)c1)C(C)C ZINC000357038006 158353475 /nfs/dbraw/zinc/35/34/75/158353475.db2.gz ADUCOHYZSQMSHX-UHFFFAOYSA-N 1 3 319.493 2.939 20 0 DFADHO c1[nH]nc(-c2ccccc2)c1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357060915 158359142 /nfs/dbraw/zinc/35/91/42/158359142.db2.gz YPKFNHZVRFVAFG-QGZVFWFLSA-N 1 3 310.445 2.898 20 0 DFADHO CN(C)[C@H](CC(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000431627908 296843582 /nfs/dbraw/zinc/84/35/82/296843582.db2.gz KXZQHHOOJGSUPT-GOSISDBHSA-N 1 3 317.477 2.672 20 0 DFADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](N)CCSC)c1 ZINC000130933610 196124027 /nfs/dbraw/zinc/12/40/27/196124027.db2.gz QCXRZDSFAKXVNR-OAHLLOKOSA-N 1 3 309.479 2.547 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@H](C)C1 ZINC000131311129 196159438 /nfs/dbraw/zinc/15/94/38/196159438.db2.gz QAJDRPQYVZXXAB-RHSMWYFYSA-N 1 3 303.450 2.690 20 0 DFADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000133093197 196310998 /nfs/dbraw/zinc/31/09/98/196310998.db2.gz LLQYDUHVQDMVGE-HUUCEWRRSA-N 1 3 306.425 2.977 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000133094443 196311197 /nfs/dbraw/zinc/31/11/97/196311197.db2.gz BGNPDPZSAWFFFF-CVEARBPZSA-N 1 3 318.461 2.847 20 0 DFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000054806366 425891391 /nfs/dbraw/zinc/89/13/91/425891391.db2.gz SJGYDLLOYLDCHX-INIZCTEOSA-N 1 3 318.465 2.602 20 0 DFADHO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000054806366 425891392 /nfs/dbraw/zinc/89/13/92/425891392.db2.gz SJGYDLLOYLDCHX-INIZCTEOSA-N 1 3 318.465 2.602 20 0 DFADHO OCCC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCC1 ZINC000297619779 227377861 /nfs/dbraw/zinc/37/78/61/227377861.db2.gz LGFPZFNHBNXWGD-UHFFFAOYSA-N 1 3 303.450 2.583 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc(CN)c2)C1 ZINC000667730961 543668660 /nfs/dbraw/zinc/66/86/60/543668660.db2.gz HWZPJFQAUSQHTM-OAHLLOKOSA-N 1 3 318.465 2.779 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2cccc(CN)c2)C1 ZINC000667730961 543668663 /nfs/dbraw/zinc/66/86/63/543668663.db2.gz HWZPJFQAUSQHTM-OAHLLOKOSA-N 1 3 318.465 2.779 20 0 DFADHO c1cc(CN[C@H]2CO[C@H](C3CC3)C2)cc(C[NH+]2CCCC2)c1 ZINC000667927820 543704843 /nfs/dbraw/zinc/70/48/43/543704843.db2.gz GTQXPRLANQJVCG-MOPGFXCFSA-N 1 3 300.446 2.940 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667961947 543713923 /nfs/dbraw/zinc/71/39/23/543713923.db2.gz BYWKFWWZUNOURA-GRGSLBFTSA-N 1 3 300.446 2.531 20 0 DFADHO c1cc(CN2CC[C@@H](c3cccnc3)C2)n(-c2ccncc2)n1 ZINC000668273144 543781429 /nfs/dbraw/zinc/78/14/29/543781429.db2.gz VAVWVAPGPPJPOO-MRXNPFEDSA-N 1 3 305.385 2.652 20 0 DFADHO COC[C@H](C)Oc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000668172106 543758874 /nfs/dbraw/zinc/75/88/74/543758874.db2.gz DNLKCTSHRZAKFI-BXWFABGCSA-N 1 3 320.477 2.872 20 0 DFADHO COC[C@H](C)Oc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000668172106 543758876 /nfs/dbraw/zinc/75/88/76/543758876.db2.gz DNLKCTSHRZAKFI-BXWFABGCSA-N 1 3 320.477 2.872 20 0 DFADHO C[C@@H](O)C1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000668700320 543848271 /nfs/dbraw/zinc/84/82/71/543848271.db2.gz SXXVBDWHZMUBOY-CCNLRDMRSA-N 1 3 300.446 2.685 20 0 DFADHO C[C@@H](O)C1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000668700320 543848275 /nfs/dbraw/zinc/84/82/75/543848275.db2.gz SXXVBDWHZMUBOY-CCNLRDMRSA-N 1 3 300.446 2.685 20 0 DFADHO C[C@@H](Cc1ccccc1)CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784681 543866903 /nfs/dbraw/zinc/86/69/03/543866903.db2.gz HNFBHSBZEUMTIR-PKOBYXMFSA-N 1 3 304.478 2.908 20 0 DFADHO C[C@H](O)[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000668787510 543867903 /nfs/dbraw/zinc/86/79/03/543867903.db2.gz BAHSQMDNBFWHSM-HNAYVOBHSA-N 1 3 311.429 2.762 20 0 DFADHO C[N@@H+]1CC[C@H](NCCN2CCCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000671743973 544105375 /nfs/dbraw/zinc/10/53/75/544105375.db2.gz KAVARJIRPOMHFU-WSTZPKSXSA-N 1 3 313.489 2.902 20 0 DFADHO C[N@H+]1CC[C@H](NCCN2CCCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000671743973 544105377 /nfs/dbraw/zinc/10/53/77/544105377.db2.gz KAVARJIRPOMHFU-WSTZPKSXSA-N 1 3 313.489 2.902 20 0 DFADHO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000671742062 544105400 /nfs/dbraw/zinc/10/54/00/544105400.db2.gz WTENCXZTZVTJDU-VQTJNVASSA-N 1 3 315.505 2.958 20 0 DFADHO CC(C)[NH+]1CCC(NC[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000672620448 544143825 /nfs/dbraw/zinc/14/38/25/544143825.db2.gz OZYGCGREAICUEI-OAHLLOKOSA-N 1 3 310.869 2.878 20 0 DFADHO c1n[nH]cc1CC[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000297566248 227311000 /nfs/dbraw/zinc/31/10/00/227311000.db2.gz CMYSXGOYHFODBJ-UXHICEINSA-N 1 3 324.472 2.939 20 0 DFADHO c1n[nH]cc1CC[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000297566248 227311003 /nfs/dbraw/zinc/31/10/03/227311003.db2.gz CMYSXGOYHFODBJ-UXHICEINSA-N 1 3 324.472 2.939 20 0 DFADHO Cc1noc(CCCN2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000675643386 544324906 /nfs/dbraw/zinc/32/49/06/544324906.db2.gz PIGXPSOUAKCEDP-UHFFFAOYSA-N 1 3 320.481 2.899 20 0 DFADHO C[NH+](C)CCCC1CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000678046356 544587816 /nfs/dbraw/zinc/58/78/16/544587816.db2.gz SLYQCLREIJBPPM-KRWDZBQOSA-N 1 3 318.461 2.880 20 0 DFADHO CC[NH+](CC)[C@H]1CCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678132695 544606679 /nfs/dbraw/zinc/60/66/79/544606679.db2.gz KZFPRVAMCMSBKN-SFHVURJKSA-N 1 3 319.493 2.543 20 0 DFADHO CC[C@@H](CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000678258764 544635339 /nfs/dbraw/zinc/63/53/39/544635339.db2.gz MQAFYBPPYBCRSO-AZUAARDMSA-N 1 3 315.505 2.892 20 0 DFADHO CC[C@@H](CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000678258764 544635341 /nfs/dbraw/zinc/63/53/41/544635341.db2.gz MQAFYBPPYBCRSO-AZUAARDMSA-N 1 3 315.505 2.892 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000678827602 544731340 /nfs/dbraw/zinc/73/13/40/544731340.db2.gz AVGQNJNFVNLFNM-MRXNPFEDSA-N 1 3 304.478 2.741 20 0 DFADHO Cc1cccc(C)c1CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000678722197 544712427 /nfs/dbraw/zinc/71/24/27/544712427.db2.gz YOCRCJWKYAXNET-LJQANCHMSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1cccc(C)c1CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000678722197 544712430 /nfs/dbraw/zinc/71/24/30/544712430.db2.gz YOCRCJWKYAXNET-LJQANCHMSA-N 1 3 315.505 2.904 20 0 DFADHO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000678733787 544714247 /nfs/dbraw/zinc/71/42/47/544714247.db2.gz QNSXPOYRQPIXRI-AEFFLSMTSA-N 1 3 306.450 2.532 20 0 DFADHO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000678766390 544717285 /nfs/dbraw/zinc/71/72/85/544717285.db2.gz KEURWASJSHSTQA-OXQOHEQNSA-N 1 3 315.505 2.926 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000678923702 544749703 /nfs/dbraw/zinc/74/97/03/544749703.db2.gz ANCDVKGMCBJIES-IBGZPJMESA-N 1 3 319.468 2.820 20 0 DFADHO Cc1ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c(OCCN(C)C)c1 ZINC000679148936 544792281 /nfs/dbraw/zinc/79/22/81/544792281.db2.gz WGFGIRUZRNKDSP-CVEARBPZSA-N 1 3 305.466 2.830 20 0 DFADHO Cc1ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(OCCN(C)C)c1 ZINC000679148936 544792283 /nfs/dbraw/zinc/79/22/83/544792283.db2.gz WGFGIRUZRNKDSP-CVEARBPZSA-N 1 3 305.466 2.830 20 0 DFADHO CC1CCC(C[N@H+](C)[C@@H]2CCN(C3CCN(C)CC3)C2)CC1 ZINC000680376666 545000637 /nfs/dbraw/zinc/00/06/37/545000637.db2.gz UKBNMFIGGYGHGX-FAFZWHIHSA-N 1 3 307.526 2.913 20 0 DFADHO CC1CCC(C[N@@H+](C)[C@@H]2CCN(C3CCN(C)CC3)C2)CC1 ZINC000680376666 545000642 /nfs/dbraw/zinc/00/06/42/545000642.db2.gz UKBNMFIGGYGHGX-FAFZWHIHSA-N 1 3 307.526 2.913 20 0 DFADHO CC1CCC(C[N@H+](C)[C@H]2CCN(C3CCN(C)CC3)C2)CC1 ZINC000680376667 545000939 /nfs/dbraw/zinc/00/09/39/545000939.db2.gz UKBNMFIGGYGHGX-TVPLGVNVSA-N 1 3 307.526 2.913 20 0 DFADHO CC1CCC(C[N@@H+](C)[C@H]2CCN(C3CCN(C)CC3)C2)CC1 ZINC000680376667 545000941 /nfs/dbraw/zinc/00/09/41/545000941.db2.gz UKBNMFIGGYGHGX-TVPLGVNVSA-N 1 3 307.526 2.913 20 0 DFADHO CC(C)N(C)CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000063465155 425900441 /nfs/dbraw/zinc/90/04/41/425900441.db2.gz UHOVIVPHRPHWNB-UHFFFAOYSA-N 1 3 317.477 2.629 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[N@H+](C)C(C)C)c1ccsc1 ZINC000063466991 425900464 /nfs/dbraw/zinc/90/04/64/425900464.db2.gz XZCZYHYDAXLNTI-OAHLLOKOSA-N 1 3 311.495 2.587 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccsc1 ZINC000063466991 425900465 /nfs/dbraw/zinc/90/04/65/425900465.db2.gz XZCZYHYDAXLNTI-OAHLLOKOSA-N 1 3 311.495 2.587 20 0 DFADHO Cc1cccc(N2CCN(CCCC[NH2+]CC3CC3)CC2)c1 ZINC000066971315 425907916 /nfs/dbraw/zinc/90/79/16/425907916.db2.gz ZHLXVSRCCMXYNN-UHFFFAOYSA-N 1 3 301.478 2.897 20 0 DFADHO CC(C)N(C)CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000068387091 425917602 /nfs/dbraw/zinc/91/76/02/425917602.db2.gz XGAXMWDKHNWLEG-HNNXBMFYSA-N 1 3 305.466 2.572 20 0 DFADHO CCOc1ccccc1[C@@H](C)[NH2+]C[C@H](C)N1CCN(CC)CC1 ZINC000155718348 425924968 /nfs/dbraw/zinc/92/49/68/425924968.db2.gz RYXOCTLRWPDWKD-DLBZAZTESA-N 1 3 319.493 2.762 20 0 DFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000155781571 425927433 /nfs/dbraw/zinc/92/74/33/425927433.db2.gz IYHIOMJFVVDPIR-CVEARBPZSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000155781571 425927436 /nfs/dbraw/zinc/92/74/36/425927436.db2.gz IYHIOMJFVVDPIR-CVEARBPZSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000156382706 425933474 /nfs/dbraw/zinc/93/34/74/425933474.db2.gz YACARTPGUBLAPN-GOSISDBHSA-N 1 3 321.509 2.773 20 0 DFADHO COC(=O)C1CCC([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000192447615 268036692 /nfs/dbraw/zinc/03/66/92/268036692.db2.gz HOAWIOJSNXMQNK-GYXIZQIFSA-N 1 3 322.493 2.961 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H]2CCCc3occc32)CC1 ZINC000192666124 268044577 /nfs/dbraw/zinc/04/45/77/268044577.db2.gz IVTVORKWAHWPHQ-KRWDZBQOSA-N 1 3 305.466 2.664 20 0 DFADHO CCCN1CC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193275685 268063204 /nfs/dbraw/zinc/06/32/04/268063204.db2.gz BDRPFNGYPXQIQH-KRWDZBQOSA-N 1 3 302.462 2.876 20 0 DFADHO CN1C[C@@H]2C[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC000193646235 268074957 /nfs/dbraw/zinc/07/49/57/268074957.db2.gz GKAQRVBXFFNVTA-CALCHBBNSA-N 1 3 316.445 2.635 20 0 DFADHO CN1C[C@@H]2C[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC000193646235 268074959 /nfs/dbraw/zinc/07/49/59/268074959.db2.gz GKAQRVBXFFNVTA-CALCHBBNSA-N 1 3 316.445 2.635 20 0 DFADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000193976472 268085983 /nfs/dbraw/zinc/08/59/83/268085983.db2.gz OZWVFRDXBJXSTR-DUQPFJRNSA-N 1 3 306.494 2.902 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000193976472 268085984 /nfs/dbraw/zinc/08/59/84/268085984.db2.gz OZWVFRDXBJXSTR-DUQPFJRNSA-N 1 3 306.494 2.902 20 0 DFADHO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000195136885 268127783 /nfs/dbraw/zinc/12/77/83/268127783.db2.gz MAQAEAMHKDQRFM-MAUKXSAKSA-N 1 3 312.461 2.901 20 0 DFADHO CCCC[C@@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000236830434 268151051 /nfs/dbraw/zinc/15/10/51/268151051.db2.gz JLNQAUHFJZWWGU-MRXNPFEDSA-N 1 3 316.449 2.659 20 0 DFADHO CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000236911310 268153198 /nfs/dbraw/zinc/15/31/98/268153198.db2.gz DDQQQMYZMYTPJB-ZACQAIPSSA-N 1 3 309.498 2.665 20 0 DFADHO CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000268853595 268185840 /nfs/dbraw/zinc/18/58/40/268185840.db2.gz QIQNZJXZPPPASI-FUHWJXTLSA-N 1 3 320.477 2.829 20 0 DFADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268802008 268186260 /nfs/dbraw/zinc/18/62/60/268186260.db2.gz YXPIJUHCXMEHJO-DLBZAZTESA-N 1 3 317.477 2.516 20 0 DFADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268802008 268186261 /nfs/dbraw/zinc/18/62/61/268186261.db2.gz YXPIJUHCXMEHJO-DLBZAZTESA-N 1 3 317.477 2.516 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268802008 268186263 /nfs/dbraw/zinc/18/62/63/268186263.db2.gz YXPIJUHCXMEHJO-DLBZAZTESA-N 1 3 317.477 2.516 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000280784958 268270058 /nfs/dbraw/zinc/27/00/58/268270058.db2.gz FZSBITXEQFNGGH-KGLIPLIRSA-N 1 3 310.869 2.878 20 0 DFADHO C[C@@H]1CN(C2CC2)CC[N@@H+]([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000298083746 268312685 /nfs/dbraw/zinc/31/26/85/268312685.db2.gz MEIYIVKJVPAAQU-XLIONFOSSA-N 1 3 313.489 2.677 20 0 DFADHO C[C@@H]1CN(C2CC2)CC[N@H+]([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000298083746 268312687 /nfs/dbraw/zinc/31/26/87/268312687.db2.gz MEIYIVKJVPAAQU-XLIONFOSSA-N 1 3 313.489 2.677 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000321055334 268348146 /nfs/dbraw/zinc/34/81/46/268348146.db2.gz HQISIWWXIVBELT-OALUTQOASA-N 1 3 316.489 2.964 20 0 DFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC2(CCCCC2)CC1 ZINC000321055334 268348147 /nfs/dbraw/zinc/34/81/47/268348147.db2.gz HQISIWWXIVBELT-OALUTQOASA-N 1 3 316.489 2.964 20 0 DFADHO CC(C)c1cccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000324118524 268350018 /nfs/dbraw/zinc/35/00/18/268350018.db2.gz GIKMFCMWZKPKQO-CALCHBBNSA-N 1 3 315.461 2.680 20 0 DFADHO C[C@@H]1C[N@@H+](C2CCN(CCc3ccccc3)CC2)C[C@@]1(C)CN ZINC000323367938 268350085 /nfs/dbraw/zinc/35/00/85/268350085.db2.gz ZBCBQUJPRIEYAJ-YLJYHZDGSA-N 1 3 315.505 2.610 20 0 DFADHO C[C@@H]1C[N@H+](C2CCN(CCc3ccccc3)CC2)C[C@@]1(C)CN ZINC000323367938 268350086 /nfs/dbraw/zinc/35/00/86/268350086.db2.gz ZBCBQUJPRIEYAJ-YLJYHZDGSA-N 1 3 315.505 2.610 20 0 DFADHO CCCC(=O)Nc1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000158889143 425950375 /nfs/dbraw/zinc/95/03/75/425950375.db2.gz YFZGNUNFOZFGOZ-YOEHRIQHSA-N 1 3 303.450 2.855 20 0 DFADHO CCCC(=O)Nc1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000158889143 425950377 /nfs/dbraw/zinc/95/03/77/425950377.db2.gz YFZGNUNFOZFGOZ-YOEHRIQHSA-N 1 3 303.450 2.855 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccccc2Cl)C1 ZINC000070174121 425969460 /nfs/dbraw/zinc/96/94/60/425969460.db2.gz GMBUBVOVNHVZNV-QWHCGFSZSA-N 1 3 309.841 2.728 20 0 DFADHO CN1CCC(C[NH2+][C@H]2CCC23CCC3)(N2CCCCC2)CC1 ZINC000337392384 268486035 /nfs/dbraw/zinc/48/60/35/268486035.db2.gz AZYGHYGYACWWGF-KRWDZBQOSA-N 1 3 305.510 2.859 20 0 DFADHO CCCNC(=O)C1([NH2+]CCCN2CCCCC2)CCCCC1 ZINC000161901616 426045496 /nfs/dbraw/zinc/04/54/96/426045496.db2.gz DVWNZBOIPOZRMB-UHFFFAOYSA-N 1 3 309.498 2.681 20 0 DFADHO Cc1nccn1CCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000161979742 426048329 /nfs/dbraw/zinc/04/83/29/426048329.db2.gz BHSMQNZZOFSJLO-SFHVURJKSA-N 1 3 304.482 2.922 20 0 DFADHO COCCNc1ccc(CN[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000127086555 426050708 /nfs/dbraw/zinc/05/07/08/426050708.db2.gz HMBLZWLUMOKWCD-RKVPGOIHSA-N 1 3 305.466 2.563 20 0 DFADHO COCCNc1ccc(CN[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000127086555 426050710 /nfs/dbraw/zinc/05/07/10/426050710.db2.gz HMBLZWLUMOKWCD-RKVPGOIHSA-N 1 3 305.466 2.563 20 0 DFADHO C[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)N1CCCCCC1 ZINC000074564913 426054607 /nfs/dbraw/zinc/05/46/07/426054607.db2.gz WMCHWTDLJIDQBO-INIZCTEOSA-N 1 3 317.477 2.994 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162420234 426063935 /nfs/dbraw/zinc/06/39/35/426063935.db2.gz UWYDRYKFXGDWTN-JFIYKMOQSA-N 1 3 316.493 2.890 20 0 DFADHO CC(C)(C[NH2+]C1CCN(CC(F)(F)F)CC1)CN1CCCC1 ZINC000337794363 268548464 /nfs/dbraw/zinc/54/84/64/268548464.db2.gz CICLKNAYIFQFAW-UHFFFAOYSA-N 1 3 321.431 2.725 20 0 DFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000128156496 426104985 /nfs/dbraw/zinc/10/49/85/426104985.db2.gz LSGVYNFVYCPRRO-ZFWWWQNUSA-N 1 3 323.868 2.578 20 0 DFADHO NC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000128201246 426106353 /nfs/dbraw/zinc/10/63/53/426106353.db2.gz SSPMMHVQGCDJSJ-NSHDSACASA-N 1 3 316.232 2.745 20 0 DFADHO NC[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000128201246 426106355 /nfs/dbraw/zinc/10/63/55/426106355.db2.gz SSPMMHVQGCDJSJ-NSHDSACASA-N 1 3 316.232 2.745 20 0 DFADHO CC(C)Oc1cccc([C@@H](O)CN[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000128266623 426110497 /nfs/dbraw/zinc/11/04/97/426110497.db2.gz SFKIFWLRPPXFCT-HFTRVMKXSA-N 1 3 306.450 2.580 20 0 DFADHO CC(C)Oc1cccc([C@@H](O)CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000128266623 426110500 /nfs/dbraw/zinc/11/05/00/426110500.db2.gz SFKIFWLRPPXFCT-HFTRVMKXSA-N 1 3 306.450 2.580 20 0 DFADHO CC[C@H](N)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000164846986 426118542 /nfs/dbraw/zinc/11/85/42/426118542.db2.gz RFMXQEBOQLZMEN-RKVPGOIHSA-N 1 3 317.477 2.518 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(F)cc1 ZINC000128570421 426124018 /nfs/dbraw/zinc/12/40/18/426124018.db2.gz TWSXYLILALGJLT-GOSISDBHSA-N 1 3 307.457 2.894 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC000166057004 426126302 /nfs/dbraw/zinc/12/63/02/426126302.db2.gz HMEXEPINKGMRRU-OCCSQVGLSA-N 1 3 300.393 2.972 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@]2(CC)CCC[NH2+]2)c1 ZINC000128859104 426135320 /nfs/dbraw/zinc/13/53/20/426135320.db2.gz BSQTYSSPIFLKKG-SFHVURJKSA-N 1 3 303.450 2.999 20 0 DFADHO Cc1ccc([C@@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134927701 426201062 /nfs/dbraw/zinc/20/10/62/426201062.db2.gz WOQIXICFMISRIV-RLLQIKCJSA-N 1 3 314.473 2.977 20 0 DFADHO Cc1ccc([C@@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134927701 426201064 /nfs/dbraw/zinc/20/10/64/426201064.db2.gz WOQIXICFMISRIV-RLLQIKCJSA-N 1 3 314.473 2.977 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130447390 426160258 /nfs/dbraw/zinc/16/02/58/426160258.db2.gz DLMOLWGICKBKIF-QUCCMNQESA-N 1 3 315.505 2.938 20 0 DFADHO C[C@H]1C[C@H](NC[C@@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000134138773 426185391 /nfs/dbraw/zinc/18/53/91/426185391.db2.gz QMLLMNWKHNCOEB-XHSDSOJGSA-N 1 3 307.507 2.957 20 0 DFADHO C[C@H]1C[C@H](NC[C@@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000134138773 426185392 /nfs/dbraw/zinc/18/53/92/426185392.db2.gz QMLLMNWKHNCOEB-XHSDSOJGSA-N 1 3 307.507 2.957 20 0 DFADHO C[C@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)CCN1C ZINC000134138773 426185396 /nfs/dbraw/zinc/18/53/96/426185396.db2.gz QMLLMNWKHNCOEB-XHSDSOJGSA-N 1 3 307.507 2.957 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000116309207 426185777 /nfs/dbraw/zinc/18/57/77/426185777.db2.gz YYSHVIPASDVOOF-MRXNPFEDSA-N 1 3 323.525 2.735 20 0 DFADHO C[NH+]1CCC(CCNCc2ccc(Br)cn2)CC1 ZINC000134626815 426190615 /nfs/dbraw/zinc/19/06/15/426190615.db2.gz SBQSWEDNFKZOGK-UHFFFAOYSA-N 1 3 312.255 2.666 20 0 DFADHO CN(CCC(=O)Nc1ccccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842422 426248358 /nfs/dbraw/zinc/24/83/58/426248358.db2.gz LLFCEQWENKDDKI-CQSZACIVSA-N 1 3 323.868 2.942 20 0 DFADHO CN(CCC(=O)Nc1ccccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842422 426248360 /nfs/dbraw/zinc/24/83/60/426248360.db2.gz LLFCEQWENKDDKI-CQSZACIVSA-N 1 3 323.868 2.942 20 0 DFADHO CN(CCC(=O)Nc1ccc(Cl)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841348 426249376 /nfs/dbraw/zinc/24/93/76/426249376.db2.gz KPFVIUMEGXENNZ-AWEZNQCLSA-N 1 3 323.868 2.942 20 0 DFADHO CN(CCC(=O)Nc1ccc(Cl)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841348 426249379 /nfs/dbraw/zinc/24/93/79/426249379.db2.gz KPFVIUMEGXENNZ-AWEZNQCLSA-N 1 3 323.868 2.942 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1F ZINC000150961943 426269342 /nfs/dbraw/zinc/26/93/42/426269342.db2.gz QXVMRSCSTPKGAU-CQSZACIVSA-N 1 3 323.456 2.511 20 0 DFADHO C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150967714 426270428 /nfs/dbraw/zinc/27/04/28/426270428.db2.gz HVXCOWBRGHOGJC-KXBFYZLASA-N 1 3 301.478 2.536 20 0 DFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc(F)cc(F)c1 ZINC000150978765 426270753 /nfs/dbraw/zinc/27/07/53/426270753.db2.gz JZCUAZKRGRGCEV-CYBMUJFWSA-N 1 3 311.420 2.641 20 0 DFADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000151004808 426271918 /nfs/dbraw/zinc/27/19/18/426271918.db2.gz FLSVHGNAZRDDGG-AUUYWEPGSA-N 1 3 319.468 2.675 20 0 DFADHO C[C@H]([NH2+]CCc1ccccn1)c1ccc(OCCN(C)C)cc1 ZINC000151382073 426292913 /nfs/dbraw/zinc/29/29/13/426292913.db2.gz IQHQDYFDBPUQFH-INIZCTEOSA-N 1 3 313.445 2.915 20 0 DFADHO CC(C)(C)CCN1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000119546668 426296201 /nfs/dbraw/zinc/29/62/01/426296201.db2.gz KUUCWDZOJMDYMQ-QGZVFWFLSA-N 1 3 317.477 2.657 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1nc2c(s1)CCCC2 ZINC000089667504 426300933 /nfs/dbraw/zinc/30/09/33/426300933.db2.gz OOKCQJOXKQSVPZ-NFAWXSAZSA-N 1 3 307.507 2.883 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1nc2c(s1)CCCC2 ZINC000089667504 426300935 /nfs/dbraw/zinc/30/09/35/426300935.db2.gz OOKCQJOXKQSVPZ-NFAWXSAZSA-N 1 3 307.507 2.883 20 0 DFADHO CCN1CCN(CCCC[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000119659947 426301402 /nfs/dbraw/zinc/30/14/02/426301402.db2.gz BOYMHQLLGNSAAS-UHFFFAOYSA-N 1 3 319.537 2.818 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000089667048 426301442 /nfs/dbraw/zinc/30/14/42/426301442.db2.gz QBCKWRQHVAFOMT-ZIAGYGMSSA-N 1 3 307.507 2.884 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000089667048 426301444 /nfs/dbraw/zinc/30/14/44/426301444.db2.gz QBCKWRQHVAFOMT-ZIAGYGMSSA-N 1 3 307.507 2.884 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1nc2c(cccc2F)n1C ZINC000089674470 426301819 /nfs/dbraw/zinc/30/18/19/426301819.db2.gz ASDIOSLNOCNBNM-VNHYZAJKSA-N 1 3 318.440 2.573 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1nc2c(cccc2F)n1C ZINC000089674470 426301825 /nfs/dbraw/zinc/30/18/25/426301825.db2.gz ASDIOSLNOCNBNM-VNHYZAJKSA-N 1 3 318.440 2.573 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1nc2c(cccc2F)n1C ZINC000089674464 426301901 /nfs/dbraw/zinc/30/19/01/426301901.db2.gz ASDIOSLNOCNBNM-NFAWXSAZSA-N 1 3 318.440 2.573 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1nc2c(cccc2F)n1C ZINC000089674464 426301902 /nfs/dbraw/zinc/30/19/02/426301902.db2.gz ASDIOSLNOCNBNM-NFAWXSAZSA-N 1 3 318.440 2.573 20 0 DFADHO CC[C@H](COC)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000120687817 426313531 /nfs/dbraw/zinc/31/35/31/426313531.db2.gz CQDAUQTYCGIYRN-GOSISDBHSA-N 1 3 320.477 2.922 20 0 DFADHO COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc(OC)c1OC ZINC000121240888 426328170 /nfs/dbraw/zinc/32/81/70/426328170.db2.gz IFOBUGJJJOPAOU-VNHYZAJKSA-N 1 3 322.449 2.531 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000090659846 426329747 /nfs/dbraw/zinc/32/97/47/426329747.db2.gz QEIIEVODAHKLJJ-IIAWOOMASA-N 1 3 314.433 2.597 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000090659846 426329753 /nfs/dbraw/zinc/32/97/53/426329753.db2.gz QEIIEVODAHKLJJ-IIAWOOMASA-N 1 3 314.433 2.597 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000089214965 426282291 /nfs/dbraw/zinc/28/22/91/426282291.db2.gz JQQZQVHHAQELDL-GPMSIDNRSA-N 1 3 316.493 2.616 20 0 DFADHO CCN1CC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@H](C)C1 ZINC000089215577 426282447 /nfs/dbraw/zinc/28/24/47/426282447.db2.gz CXQYCXXTEUXKST-VQIMIIECSA-N 1 3 316.493 2.618 20 0 DFADHO C[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000175180903 426286227 /nfs/dbraw/zinc/28/62/27/426286227.db2.gz LPOJTNOMVSLQFH-BBWFWOEESA-N 1 3 321.509 2.582 20 0 DFADHO CSC[C@@](C)(O)CNC1CC[NH+](CC2CCCCC2)CC1 ZINC000153650036 426396850 /nfs/dbraw/zinc/39/68/50/426396850.db2.gz MEOSDZHJUSYULJ-KRWDZBQOSA-N 1 3 314.539 2.735 20 0 DFADHO CSC[C@@](C)(O)C[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000153650036 426396852 /nfs/dbraw/zinc/39/68/52/426396852.db2.gz MEOSDZHJUSYULJ-KRWDZBQOSA-N 1 3 314.539 2.735 20 0 DFADHO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000176042853 426347403 /nfs/dbraw/zinc/34/74/03/426347403.db2.gz UTYVVQKTHSEEFR-JQHSSLGASA-N 1 3 317.477 2.574 20 0 DFADHO CC(C)N(C)C(=O)[C@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122045251 426357360 /nfs/dbraw/zinc/35/73/60/426357360.db2.gz LDHUJSFAICKUCQ-KRWDZBQOSA-N 1 3 323.525 2.830 20 0 DFADHO CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1OC ZINC000153840221 426408726 /nfs/dbraw/zinc/40/87/26/426408726.db2.gz YUKJBQGHIYBMKJ-OFQRWUPVSA-N 1 3 306.450 2.912 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1cccc(OC)c1 ZINC000154239711 426431341 /nfs/dbraw/zinc/43/13/41/426431341.db2.gz MTSXNSPNJCGDKN-LJQANCHMSA-N 1 3 319.493 2.764 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2c3ccccc3C[C@H]2C)CC1 ZINC000154259078 426432564 /nfs/dbraw/zinc/43/25/64/426432564.db2.gz NFLKWYABRCJFME-VQIMIIECSA-N 1 3 301.478 2.537 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000154294590 426434557 /nfs/dbraw/zinc/43/45/57/426434557.db2.gz YKMNKGHGMMXOAU-SFHVURJKSA-N 1 3 317.477 2.518 20 0 DFADHO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000123584148 426441328 /nfs/dbraw/zinc/44/13/28/426441328.db2.gz VLNQQCVIKDRWGE-MAUKXSAKSA-N 1 3 308.466 2.685 20 0 DFADHO CN1CCC(C[NH2+]C[C@H]2CC=CCC2)(N2CCCCC2)CC1 ZINC000123834757 426454694 /nfs/dbraw/zinc/45/46/94/426454694.db2.gz SODLRKSVCXSCRY-SFHVURJKSA-N 1 3 305.510 2.883 20 0 DFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)C3CC3)cc2)CC1 ZINC000177223679 426456833 /nfs/dbraw/zinc/45/68/33/426456833.db2.gz WMLHGFYDJKWDHM-INIZCTEOSA-N 1 3 301.478 2.712 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1)C1CC1 ZINC000154938933 426460138 /nfs/dbraw/zinc/46/01/38/426460138.db2.gz CUQLICKVVWAIGW-LJQANCHMSA-N 1 3 315.461 2.528 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ccccc2O)[C@H](C)C1 ZINC000154945048 426460289 /nfs/dbraw/zinc/46/02/89/426460289.db2.gz WUSTUDCSMSBOFL-SJLPKXTDSA-N 1 3 320.477 2.661 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ccccc2O)[C@H](C)C1 ZINC000154945048 426460292 /nfs/dbraw/zinc/46/02/92/426460292.db2.gz WUSTUDCSMSBOFL-SJLPKXTDSA-N 1 3 320.477 2.661 20 0 DFADHO CC1CCN(CCC[NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000124053934 426467771 /nfs/dbraw/zinc/46/77/71/426467771.db2.gz WJSGGBIIBPLQPX-UHFFFAOYSA-N 1 3 316.493 2.762 20 0 DFADHO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000098144103 426480450 /nfs/dbraw/zinc/48/04/50/426480450.db2.gz NYMHQTBGORYEAH-FUHWJXTLSA-N 1 3 320.477 2.829 20 0 DFADHO Cc1ccc(CNCCc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000264236020 426522695 /nfs/dbraw/zinc/52/26/95/426522695.db2.gz DHTCXTFODDKOMA-UHFFFAOYSA-N 1 3 302.418 2.861 20 0 DFADHO C[C@H](CCC1CC1)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000186499196 426540118 /nfs/dbraw/zinc/54/01/18/426540118.db2.gz NNLAYFFXDGKXME-BEFAXECRSA-N 1 3 302.462 2.922 20 0 DFADHO C[NH+]1CCC(N(CCO)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000264392316 426545893 /nfs/dbraw/zinc/54/58/93/426545893.db2.gz CIZNJFVTRJOUSL-UHFFFAOYSA-N 1 3 304.478 2.873 20 0 DFADHO c1ccc(CC[NH+]2CCC(NCC3=CCCOC3)CC2)cc1 ZINC000178159644 426578618 /nfs/dbraw/zinc/57/86/18/426578618.db2.gz YUCPDSXOXHKMMQ-UHFFFAOYSA-N 1 3 300.446 2.630 20 0 DFADHO CCc1ccc(CC[NH+]2CCC(N(C)CCCO)CC2)cc1 ZINC000265175337 426590814 /nfs/dbraw/zinc/59/08/14/426590814.db2.gz CKCMCNRFPDWTFU-UHFFFAOYSA-N 1 3 304.478 2.570 20 0 DFADHO C[C@H]1CN(CCCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C[C@H](C)O1 ZINC000178040148 426560567 /nfs/dbraw/zinc/56/05/67/426560567.db2.gz JIIXRNJXOTYWIX-HRCADAONSA-N 1 3 312.498 2.812 20 0 DFADHO C[NH+](C)Cc1ccc(NC(=O)[C@@H](C2CC2)N2CCCC2)cc1 ZINC000273592213 426692804 /nfs/dbraw/zinc/69/28/04/426692804.db2.gz MZOAOQTWQIISED-QGZVFWFLSA-N 1 3 301.434 2.561 20 0 DFADHO Cc1ccc([C@@H](CNC(=O)[C@@H](N)C(C)(C)C)[NH+]2CCCC2)cc1 ZINC000237777308 426696117 /nfs/dbraw/zinc/69/61/17/426696117.db2.gz IPAZOZBTTLCCRB-IAGOWNOFSA-N 1 3 317.477 2.622 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CCC1 ZINC000178794006 426696360 /nfs/dbraw/zinc/69/63/60/426696360.db2.gz RQNHIAFSCNRJSN-OAHLLOKOSA-N 1 3 302.462 2.922 20 0 DFADHO [NH3+]CCCCCCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000237988153 426701663 /nfs/dbraw/zinc/70/16/63/426701663.db2.gz JBDYFKNAPQSKNB-HNNXBMFYSA-N 1 3 323.506 2.910 20 0 DFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc(F)c1F ZINC000245901710 426781305 /nfs/dbraw/zinc/78/13/05/426781305.db2.gz NYZZOWZQTWQYMX-KGLIPLIRSA-N 1 3 312.404 2.852 20 0 DFADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cccc(F)c1F ZINC000245901710 426781308 /nfs/dbraw/zinc/78/13/08/426781308.db2.gz NYZZOWZQTWQYMX-KGLIPLIRSA-N 1 3 312.404 2.852 20 0 DFADHO CC1(C)[C@H](NC[C@H](O)C[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000274263331 426733345 /nfs/dbraw/zinc/73/33/45/426733345.db2.gz KUMSRKWKPMHBOT-RCCFBDPRSA-N 1 3 302.462 2.615 20 0 DFADHO COc1cccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1OC ZINC000290345338 426746688 /nfs/dbraw/zinc/74/66/88/426746688.db2.gz FUAKSNYJHMDYGX-INIZCTEOSA-N 1 3 318.461 2.868 20 0 DFADHO COc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000290348743 426747677 /nfs/dbraw/zinc/74/76/77/426747677.db2.gz FYLYNTHGLIOGPJ-QGZVFWFLSA-N 1 3 318.461 2.868 20 0 DFADHO CCn1nc(CNCC2(C)CC[NH+](C)CC2)c2ccccc21 ZINC000274382122 426756594 /nfs/dbraw/zinc/75/65/94/426756594.db2.gz AOERDYQNBPBQMO-UHFFFAOYSA-N 1 3 300.450 2.878 20 0 DFADHO C[NH+]1CCC(N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)CC1 ZINC000290630867 426808398 /nfs/dbraw/zinc/80/83/98/426808398.db2.gz XZKARSKNAJSSNI-MOPGFXCFSA-N 1 3 310.445 2.796 20 0 DFADHO CC[C@@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1ccccc1F ZINC000180119592 426839063 /nfs/dbraw/zinc/83/90/63/426839063.db2.gz IJSNIESCQVMPMZ-MAUKXSAKSA-N 1 3 307.457 2.892 20 0 DFADHO C[C@H](CCc1ccc(F)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282163642 426843095 /nfs/dbraw/zinc/84/30/95/426843095.db2.gz DNOAVYQKRGZLKC-MRXNPFEDSA-N 1 3 321.484 2.762 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCOCC(F)(F)C(F)F ZINC000189433462 426855377 /nfs/dbraw/zinc/85/53/77/426855377.db2.gz RXHNYUXWZLOLHY-GFCCVEGCSA-N 1 3 314.367 2.710 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCOCC(F)(F)C(F)F ZINC000189433462 426855379 /nfs/dbraw/zinc/85/53/79/426855379.db2.gz RXHNYUXWZLOLHY-GFCCVEGCSA-N 1 3 314.367 2.710 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)N(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274888845 426856177 /nfs/dbraw/zinc/85/61/77/426856177.db2.gz JAMFBFSMAYBCDZ-FUHWJXTLSA-N 1 3 303.494 2.827 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nc(-c2ccccc2)no1 ZINC000179478761 426793074 /nfs/dbraw/zinc/79/30/74/426793074.db2.gz ODYGXZAEVYLAML-IJEWVQPXSA-N 1 3 314.433 2.912 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc(-c2ccccc2)no1 ZINC000179478761 426793081 /nfs/dbraw/zinc/79/30/81/426793081.db2.gz ODYGXZAEVYLAML-IJEWVQPXSA-N 1 3 314.433 2.912 20 0 DFADHO CN1CC[C@H](C[N@H+](C)C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000275426903 426864632 /nfs/dbraw/zinc/86/46/32/426864632.db2.gz FMHVVIXZTMNTIP-SWLSCSKDSA-N 1 3 316.367 2.622 20 0 DFADHO CN1CC[C@H](C[N@@H+](C)C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000275426903 426864638 /nfs/dbraw/zinc/86/46/38/426864638.db2.gz FMHVVIXZTMNTIP-SWLSCSKDSA-N 1 3 316.367 2.622 20 0 DFADHO Cc1cc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc(C)c1F ZINC000305137062 426884875 /nfs/dbraw/zinc/88/48/75/426884875.db2.gz OUYXZOJQYLOTAG-HNNXBMFYSA-N 1 3 308.441 2.940 20 0 DFADHO C[C@H]1CSC[C@H]1[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000295299587 426896452 /nfs/dbraw/zinc/89/64/52/426896452.db2.gz XMCOUADCZGZEPE-WMLDXEAASA-N 1 3 308.491 2.511 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CCSc3ccccc32)CC1(C)C ZINC000282387812 426898551 /nfs/dbraw/zinc/89/85/51/426898551.db2.gz RAMLCLNHULMFEW-MRXNPFEDSA-N 1 3 319.518 2.839 20 0 DFADHO COc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1C ZINC000282404552 426905042 /nfs/dbraw/zinc/90/50/42/426905042.db2.gz RVHXULNMQMSWAL-INIZCTEOSA-N 1 3 319.493 2.680 20 0 DFADHO COc1ccc2c(c1)C[C@H](N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000317064268 426954412 /nfs/dbraw/zinc/95/44/12/426954412.db2.gz YRSNSZRSAYXDAA-FGTMMUONSA-N 1 3 300.446 2.769 20 0 DFADHO COc1ccc2c(c1)C[C@H](N[C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000317064268 426954419 /nfs/dbraw/zinc/95/44/19/426954419.db2.gz YRSNSZRSAYXDAA-FGTMMUONSA-N 1 3 300.446 2.769 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCN3CCC[C@@H]3C1)CC2 ZINC000317064268 426954426 /nfs/dbraw/zinc/95/44/26/426954426.db2.gz YRSNSZRSAYXDAA-FGTMMUONSA-N 1 3 300.446 2.769 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248402546 426994729 /nfs/dbraw/zinc/99/47/29/426994729.db2.gz NHPLMEHOGVAICF-ULQDDVLXSA-N 1 3 323.525 2.876 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248402546 426994734 /nfs/dbraw/zinc/99/47/34/426994734.db2.gz NHPLMEHOGVAICF-ULQDDVLXSA-N 1 3 323.525 2.876 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248402546 426994739 /nfs/dbraw/zinc/99/47/39/426994739.db2.gz NHPLMEHOGVAICF-ULQDDVLXSA-N 1 3 323.525 2.876 20 0 DFADHO FC(F)COCCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000189743452 426940006 /nfs/dbraw/zinc/94/00/06/426940006.db2.gz ILSVLFVLYGUIDU-UHFFFAOYSA-N 1 3 304.425 2.856 20 0 DFADHO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000296051206 427059087 /nfs/dbraw/zinc/05/90/87/427059087.db2.gz RCJJOJCSTIQFTB-GOSISDBHSA-N 1 3 300.450 2.759 20 0 DFADHO CCOC(=O)[C@](C)(CNC1CC[NH+](CC)CC1)c1ccccc1 ZINC000276200453 427007164 /nfs/dbraw/zinc/00/71/64/427007164.db2.gz NNQGCLOSMZAZBN-LJQANCHMSA-N 1 3 318.461 2.581 20 0 DFADHO OC1CC[NH+](CCCNCc2ccc3c(c2)CCCC3)CC1 ZINC000291916799 427024883 /nfs/dbraw/zinc/02/48/83/427024883.db2.gz KQFXGLJPAYBMBE-UHFFFAOYSA-N 1 3 302.462 2.502 20 0 DFADHO O[C@@H](CN1CCC[C@@H]1C1CCC1)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000248727606 427033702 /nfs/dbraw/zinc/03/37/02/427033702.db2.gz IYQQASCIZYTHMT-REPLKXPHSA-N 1 3 306.494 2.876 20 0 DFADHO O[C@@H](CN1CCC[C@@H]1C1CCC1)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000248727606 427033708 /nfs/dbraw/zinc/03/37/08/427033708.db2.gz IYQQASCIZYTHMT-REPLKXPHSA-N 1 3 306.494 2.876 20 0 DFADHO O[C@H](CN1CCC[C@H]1C1CCC1)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000248727606 427033711 /nfs/dbraw/zinc/03/37/11/427033711.db2.gz IYQQASCIZYTHMT-REPLKXPHSA-N 1 3 306.494 2.876 20 0 DFADHO O[C@H](CN1CCC[C@H]1C1CCC1)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000248727606 427033717 /nfs/dbraw/zinc/03/37/17/427033717.db2.gz IYQQASCIZYTHMT-REPLKXPHSA-N 1 3 306.494 2.876 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@@H](CNc2ccccn2)C1 ZINC000268545124 427049485 /nfs/dbraw/zinc/04/94/85/427049485.db2.gz LYQOLZHNHOIXEJ-IRXDYDNUSA-N 1 3 302.466 2.690 20 0 DFADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@@H](CNc2ccccn2)C1 ZINC000268545124 427049491 /nfs/dbraw/zinc/04/94/91/427049491.db2.gz LYQOLZHNHOIXEJ-IRXDYDNUSA-N 1 3 302.466 2.690 20 0 DFADHO C[C@H](NCCO[C@H]1CCCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248839217 427050724 /nfs/dbraw/zinc/05/07/24/427050724.db2.gz PUPZGXHCTZFKON-BQFCYCMXSA-N 1 3 310.482 2.772 20 0 DFADHO C[C@H](NCCO[C@H]1CCCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248839217 427050730 /nfs/dbraw/zinc/05/07/30/427050730.db2.gz PUPZGXHCTZFKON-BQFCYCMXSA-N 1 3 310.482 2.772 20 0 DFADHO C[C@H]([NH2+]CCO[C@H]1CCCCO1)[C@H]1CCCN(C2CCC2)C1 ZINC000248839217 427050738 /nfs/dbraw/zinc/05/07/38/427050738.db2.gz PUPZGXHCTZFKON-BQFCYCMXSA-N 1 3 310.482 2.772 20 0 DFADHO C[C@H](CCCC[NH3+])NC(=O)c1oc2ccccc2c1CN(C)C ZINC000292058402 427075168 /nfs/dbraw/zinc/07/51/68/427075168.db2.gz JWYDGYUUIXINPR-CYBMUJFWSA-N 1 3 317.433 2.742 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337989182 427077261 /nfs/dbraw/zinc/07/72/61/427077261.db2.gz LGQCLGGZLPKILB-ROUUACIJSA-N 1 3 313.505 2.912 20 0 DFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CCN(C)Cc1ccccc1 ZINC000296114112 427080874 /nfs/dbraw/zinc/08/08/74/427080874.db2.gz XYVLHWWYUGGJSO-IEBWSBKVSA-N 1 3 301.478 2.677 20 0 DFADHO CN1CCC(N2CCC([NH2+][C@H]3CC[C@H]3C3CCC3)CC2)CC1 ZINC000338000995 427084985 /nfs/dbraw/zinc/08/49/85/427084985.db2.gz SROZVRXWEJFLMS-OALUTQOASA-N 1 3 305.510 2.713 20 0 DFADHO C[C@@H]1CSCCN(CCC[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000249088355 427086478 /nfs/dbraw/zinc/08/64/78/427086478.db2.gz SMEHGVYHOVCUQH-GJZGRUSLSA-N 1 3 302.553 2.746 20 0 DFADHO C[C@@H]1CSCCN(CCC[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000249088355 427086485 /nfs/dbraw/zinc/08/64/85/427086485.db2.gz SMEHGVYHOVCUQH-GJZGRUSLSA-N 1 3 302.553 2.746 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)ccn1 ZINC000338004364 427087751 /nfs/dbraw/zinc/08/77/51/427087751.db2.gz YTWMWLYTNFLXGC-IAGOWNOFSA-N 1 3 303.450 2.690 20 0 DFADHO CCc1ccc([C@H](CNC(=O)CC[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000292127445 427101544 /nfs/dbraw/zinc/10/15/44/427101544.db2.gz RCZDAVCWFWBAPS-MSOLQXFVSA-N 1 3 317.477 2.500 20 0 DFADHO C[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000182606035 427110770 /nfs/dbraw/zinc/11/07/70/427110770.db2.gz SWNHQNFEORULHN-MRXNPFEDSA-N 1 3 312.461 2.983 20 0 DFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000338046827 427112182 /nfs/dbraw/zinc/11/21/82/427112182.db2.gz LNRWEJUEUQZZMR-COZGXFGHSA-N 1 3 323.525 2.730 20 0 DFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000338046827 427112189 /nfs/dbraw/zinc/11/21/89/427112189.db2.gz LNRWEJUEUQZZMR-COZGXFGHSA-N 1 3 323.525 2.730 20 0 DFADHO CC[NH+](CC)CCCN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000283999004 427113705 /nfs/dbraw/zinc/11/37/05/427113705.db2.gz DNADIEBIKSRYFG-IBGZPJMESA-N 1 3 303.494 2.577 20 0 DFADHO C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000338053575 427116604 /nfs/dbraw/zinc/11/66/04/427116604.db2.gz VFLBQCXLZALHER-GJGATLCTSA-N 1 3 323.525 2.874 20 0 DFADHO C[C@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000338053797 427118236 /nfs/dbraw/zinc/11/82/36/427118236.db2.gz IXRFJZWXQUEKKT-BRWVUGGUSA-N 1 3 323.525 2.971 20 0 DFADHO C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000338053797 427118238 /nfs/dbraw/zinc/11/82/38/427118238.db2.gz IXRFJZWXQUEKKT-BRWVUGGUSA-N 1 3 323.525 2.971 20 0 DFADHO CC[NH+](CC)CCCC1CCN([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000182759390 427141918 /nfs/dbraw/zinc/14/19/18/427141918.db2.gz UNVOYGKDPCMUQY-GOSISDBHSA-N 1 3 323.525 2.830 20 0 DFADHO C[C@@H](NC1CC1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000296383445 427164020 /nfs/dbraw/zinc/16/40/20/427164020.db2.gz KPBHIJJKTQKXAV-HUUCEWRRSA-N 1 3 315.461 2.998 20 0 DFADHO C[C@@H](NC1CC1)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000296383445 427164029 /nfs/dbraw/zinc/16/40/29/427164029.db2.gz KPBHIJJKTQKXAV-HUUCEWRRSA-N 1 3 315.461 2.998 20 0 DFADHO C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000158645027 271078623 /nfs/dbraw/zinc/07/86/23/271078623.db2.gz HDOVMOVDBJQKSV-NUJGCVRESA-N 1 3 317.477 2.526 20 0 DFADHO C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)N1CCCCCC1 ZINC000175010597 271143702 /nfs/dbraw/zinc/14/37/02/271143702.db2.gz LWKLZXLBHCUFQC-DLBZAZTESA-N 1 3 309.498 2.632 20 0 DFADHO C[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)N1CCCCCC1 ZINC000175010597 271143706 /nfs/dbraw/zinc/14/37/06/271143706.db2.gz LWKLZXLBHCUFQC-DLBZAZTESA-N 1 3 309.498 2.632 20 0 DFADHO CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cn1 ZINC000190754223 427174507 /nfs/dbraw/zinc/17/45/07/427174507.db2.gz BVVUNJWMNOYNMF-INIZCTEOSA-N 1 3 302.466 2.500 20 0 DFADHO c1ccc(C[C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)c2cccnc2)nc1 ZINC000338195012 427186008 /nfs/dbraw/zinc/18/60/08/427186008.db2.gz KDGTZMVSVCFIOW-UZLBHIALSA-N 1 3 322.456 2.834 20 0 DFADHO C[C@H]1CCN(CCC(=O)Nc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000253196615 427195123 /nfs/dbraw/zinc/19/51/23/427195123.db2.gz TUPQAZHVKQARCS-QWHCGFSZSA-N 1 3 309.841 2.585 20 0 DFADHO C[C@@H]1CCN(CCC(=O)Nc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000253196614 427196387 /nfs/dbraw/zinc/19/63/87/427196387.db2.gz TUPQAZHVKQARCS-CHWSQXEVSA-N 1 3 309.841 2.585 20 0 DFADHO COCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183125216 427204349 /nfs/dbraw/zinc/20/43/49/427204349.db2.gz MGILUHUJROSGMX-CEXWTWQISA-N 1 3 302.462 2.913 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)C[C@H](N)c1ccccc1 ZINC000269483445 427206520 /nfs/dbraw/zinc/20/65/20/427206520.db2.gz GLNXRZCKRRCIEV-KRWDZBQOSA-N 1 3 305.466 2.705 20 0 DFADHO CCOCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183130054 427207780 /nfs/dbraw/zinc/20/77/80/427207780.db2.gz AOALRBVAGMHLFR-CEXWTWQISA-N 1 3 302.462 2.913 20 0 DFADHO CCOCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130054 427207782 /nfs/dbraw/zinc/20/77/82/427207782.db2.gz AOALRBVAGMHLFR-CEXWTWQISA-N 1 3 302.462 2.913 20 0 DFADHO CCOCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130054 427207789 /nfs/dbraw/zinc/20/77/89/427207789.db2.gz AOALRBVAGMHLFR-CEXWTWQISA-N 1 3 302.462 2.913 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000269679109 427250732 /nfs/dbraw/zinc/25/07/32/427250732.db2.gz RVRVPGHSBWWTGY-FMKPAKJESA-N 1 3 305.466 2.605 20 0 DFADHO CCc1cc(N[C@H](C)CN2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000269724239 427264685 /nfs/dbraw/zinc/26/46/85/427264685.db2.gz CYWVIDXWRXRWIK-OAHLLOKOSA-N 1 3 312.461 2.845 20 0 DFADHO CC(C)C(=O)N1CCC(N[C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000262298574 427353802 /nfs/dbraw/zinc/35/38/02/427353802.db2.gz OICCCLVAQOYVPE-NVXWUHKLSA-N 1 3 309.498 2.534 20 0 DFADHO C[C@@H](CC(=O)OC(C)(C)C)NCc1cccc(C[NH+](C)C)c1 ZINC000183692972 427322453 /nfs/dbraw/zinc/32/24/53/427322453.db2.gz TVULLANOFJNXDP-AWEZNQCLSA-N 1 3 306.450 2.958 20 0 DFADHO C[C@H]1C[N@H+](CCCNCc2ccc3ncccc3c2)CCCO1 ZINC000277828895 427332129 /nfs/dbraw/zinc/33/21/29/427332129.db2.gz LKHVASDKENFDPN-INIZCTEOSA-N 1 3 313.445 2.825 20 0 DFADHO C[C@H]1C[N@@H+](CCCNCc2ccc3ncccc3c2)CCCO1 ZINC000277828895 427332136 /nfs/dbraw/zinc/33/21/36/427332136.db2.gz LKHVASDKENFDPN-INIZCTEOSA-N 1 3 313.445 2.825 20 0 DFADHO CCCN(CCC(=O)Nc1ccccc1F)C1CC[NH2+]CC1 ZINC000261714720 427339623 /nfs/dbraw/zinc/33/96/23/427339623.db2.gz PLRWWBFQIGPNGY-UHFFFAOYSA-N 1 3 307.413 2.618 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CSC2(C)C)CC1 ZINC000338477565 427341459 /nfs/dbraw/zinc/34/14/59/427341459.db2.gz PUBRYTXJGAVFMW-KRWDZBQOSA-N 1 3 319.518 2.812 20 0 DFADHO NC[C@H](NC(=O)CCCCCC[NH3+])c1ccc2ccccc2c1 ZINC000262800253 427372810 /nfs/dbraw/zinc/37/28/10/427372810.db2.gz NXDCDGJNMMLWFH-SFHVURJKSA-N 1 3 313.445 2.865 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)CO2 ZINC000297504828 427407559 /nfs/dbraw/zinc/40/75/59/427407559.db2.gz CDVQIGKTYNGREB-WBVHZDCISA-N 1 3 318.461 2.709 20 0 DFADHO COC(=O)c1coc([C@@H](C)NCCCCC[NH+]2CCCC2)c1 ZINC000293564827 427364789 /nfs/dbraw/zinc/36/47/89/427364789.db2.gz AVIHHRLOFKLMJS-CQSZACIVSA-N 1 3 308.422 2.983 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000293568121 427368093 /nfs/dbraw/zinc/36/80/93/427368093.db2.gz XVWGMSNFFYRDFP-CQSZACIVSA-N 1 3 305.466 2.627 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000263263950 427448464 /nfs/dbraw/zinc/44/84/64/427448464.db2.gz RIBIVKJMQGWHNT-YQVWRLOYSA-N 1 3 317.477 2.834 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@H](N)c1ccccc1 ZINC000263365613 427470902 /nfs/dbraw/zinc/47/09/02/427470902.db2.gz VXRKPDXPELYZBF-WMZOPIPTSA-N 1 3 317.477 2.847 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H](N)c1ccccc1 ZINC000263365613 427470907 /nfs/dbraw/zinc/47/09/07/427470907.db2.gz VXRKPDXPELYZBF-WMZOPIPTSA-N 1 3 317.477 2.847 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCC(=O)NC2(C)C)CC1 ZINC000338775852 427482605 /nfs/dbraw/zinc/48/26/05/427482605.db2.gz QWBOSVPEKUAHFU-PVAVHDDUSA-N 1 3 321.509 2.676 20 0 DFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000338775852 427482613 /nfs/dbraw/zinc/48/26/13/427482613.db2.gz QWBOSVPEKUAHFU-PVAVHDDUSA-N 1 3 321.509 2.676 20 0 DFADHO C[C@@H](NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000338783713 427484451 /nfs/dbraw/zinc/48/44/51/427484451.db2.gz HCCBNNVMFNOLQW-AFYVEPGGSA-N 1 3 316.489 2.861 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338780731 427486133 /nfs/dbraw/zinc/48/61/33/427486133.db2.gz AAKOTQJMVYSWCL-YSIASYRMSA-N 1 3 315.505 2.796 20 0 DFADHO COc1cc(F)cc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000297667958 427424736 /nfs/dbraw/zinc/42/47/36/427424736.db2.gz OJIBBXSFGCYJNO-UHFFFAOYSA-N 1 3 315.392 2.988 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286098067 427424725 /nfs/dbraw/zinc/42/47/25/427424725.db2.gz NBXYNZASPHXSEN-CFVMTHIKSA-N 1 3 317.433 2.541 20 0 DFADHO C[C@H]1C[C@@H](NCCc2cc(C(F)(F)F)ccn2)CC[N@@H+]1C ZINC000293755410 427425453 /nfs/dbraw/zinc/42/54/53/427425453.db2.gz QRCDMKIUTYXMHL-FZMZJTMJSA-N 1 3 301.356 2.715 20 0 DFADHO C[C@H]1C[C@@H](NCCc2cc(C(F)(F)F)ccn2)CC[N@H+]1C ZINC000293755410 427425459 /nfs/dbraw/zinc/42/54/59/427425459.db2.gz QRCDMKIUTYXMHL-FZMZJTMJSA-N 1 3 301.356 2.715 20 0 DFADHO COC(=O)c1csc([C@@H](C)NCC2(C)CC[NH+](C)CC2)c1 ZINC000286132132 427431378 /nfs/dbraw/zinc/43/13/78/427431378.db2.gz OARYJOOTGHFSMT-GFCCVEGCSA-N 1 3 310.463 2.917 20 0 DFADHO C[C@H]1C[N@H+](CCCN[C@H]2CCc3cc(F)ccc32)CCCO1 ZINC000278363089 427432086 /nfs/dbraw/zinc/43/20/86/427432086.db2.gz BLWYNIWRVGCSTN-KSSFIOAISA-N 1 3 306.425 2.904 20 0 DFADHO C[C@H]1C[N@@H+](CCCN[C@H]2CCc3cc(F)ccc32)CCCO1 ZINC000278363089 427432094 /nfs/dbraw/zinc/43/20/94/427432094.db2.gz BLWYNIWRVGCSTN-KSSFIOAISA-N 1 3 306.425 2.904 20 0 DFADHO Cc1ccnc([C@H](C)NC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000286314752 427491427 /nfs/dbraw/zinc/49/14/27/427491427.db2.gz XJJXGHDWPPVTKA-INIZCTEOSA-N 1 3 316.493 2.599 20 0 DFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cncn1C ZINC000271319703 427493659 /nfs/dbraw/zinc/49/36/59/427493659.db2.gz JRISQWKRHKGYHW-UHFFFAOYSA-N 1 3 313.449 2.554 20 0 DFADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000298195982 427531756 /nfs/dbraw/zinc/53/17/56/427531756.db2.gz CRAVJRLNVGLDCK-SWLSCSKDSA-N 1 3 316.367 2.813 20 0 DFADHO CC1CCN(C(=[NH2+])NCC(C)(C)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000341609068 271861673 /nfs/dbraw/zinc/86/16/73/271861673.db2.gz CROMOLONTFTRBK-IYBDPMFKSA-N 1 3 308.514 2.999 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(COC)cc2)C1 ZINC000339008933 427622316 /nfs/dbraw/zinc/62/23/16/427622316.db2.gz CMLKPVUBHKKNAO-IBGZPJMESA-N 1 3 320.477 2.766 20 0 DFADHO C[C@@H](COCC(F)(F)F)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298295527 427560719 /nfs/dbraw/zinc/56/07/19/427560719.db2.gz HIZYEDSOIHZEJF-LBPRGKRZSA-N 1 3 317.355 2.607 20 0 DFADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000298326905 427571389 /nfs/dbraw/zinc/57/13/89/427571389.db2.gz VIJLCLWRMXNQKE-SWLSCSKDSA-N 1 3 316.367 2.813 20 0 DFADHO Cn1c2ccccc2nc1CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000271526977 427572459 /nfs/dbraw/zinc/57/24/59/427572459.db2.gz REULPLBSXZOQOR-HOTGVXAUSA-N 1 3 312.461 2.722 20 0 DFADHO Cn1c2ccccc2nc1CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000271526977 427572468 /nfs/dbraw/zinc/57/24/68/427572468.db2.gz REULPLBSXZOQOR-HOTGVXAUSA-N 1 3 312.461 2.722 20 0 DFADHO CCC[NH+]1CCC(CNCc2cc(C(=O)OC)c(CC)o2)CC1 ZINC000338943554 427576371 /nfs/dbraw/zinc/57/63/71/427576371.db2.gz NHJBFVNJGKNEPT-UHFFFAOYSA-N 1 3 322.449 2.840 20 0 DFADHO c1cc(N2CCC([NH2+]Cc3ccc4c(c3)OCO4)CC2)ccn1 ZINC000294228233 427590349 /nfs/dbraw/zinc/59/03/49/427590349.db2.gz OCGDXCMOYSPIEG-UHFFFAOYSA-N 1 3 311.385 2.569 20 0 DFADHO CC[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCCC1 ZINC000298423930 427603644 /nfs/dbraw/zinc/60/36/44/427603644.db2.gz MPRXEBNGMDLFTB-QGZVFWFLSA-N 1 3 302.466 2.514 20 0 DFADHO C[C@H](c1cccnc1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263913556 427608922 /nfs/dbraw/zinc/60/89/22/427608922.db2.gz NMMKCLCTTASKLD-IXDOHACOSA-N 1 3 317.477 2.964 20 0 DFADHO C[C@H](c1cccnc1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263913556 427608930 /nfs/dbraw/zinc/60/89/30/427608930.db2.gz NMMKCLCTTASKLD-IXDOHACOSA-N 1 3 317.477 2.964 20 0 DFADHO CCCCN1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000298543681 427646091 /nfs/dbraw/zinc/64/60/91/427646091.db2.gz TYESBMGTQNEWNU-UHFFFAOYSA-N 1 3 316.493 2.905 20 0 DFADHO CCSc1cccc(CNC2CC[NH+](CCOC)CC2)c1 ZINC000185491881 427660476 /nfs/dbraw/zinc/66/04/76/427660476.db2.gz LEUGWNKKBZEJNK-UHFFFAOYSA-N 1 3 308.491 2.999 20 0 DFADHO Cc1c(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cnn1C ZINC000272183552 427664842 /nfs/dbraw/zinc/66/48/42/427664842.db2.gz KRAMTENQFKGFRN-MAUKXSAKSA-N 1 3 312.461 2.729 20 0 DFADHO C[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCC(C)CC1 ZINC000298484533 427624841 /nfs/dbraw/zinc/62/48/41/427624841.db2.gz PPVQDBDAIDWVQM-QGZVFWFLSA-N 1 3 316.493 2.760 20 0 DFADHO CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OC ZINC000192865093 427625391 /nfs/dbraw/zinc/62/53/91/427625391.db2.gz UQLUVQKAMDGYBB-MQVJKMGUSA-N 1 3 304.434 2.809 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000343046135 272078974 /nfs/dbraw/zinc/07/89/74/272078974.db2.gz QIBKMSKWBRFPAX-KRWDZBQOSA-N 1 3 323.525 2.831 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000343046135 272078977 /nfs/dbraw/zinc/07/89/77/272078977.db2.gz QIBKMSKWBRFPAX-KRWDZBQOSA-N 1 3 323.525 2.831 20 0 DFADHO CC[C@@H]1C[C@@H](C)CC[C@H]1NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333654724 427667882 /nfs/dbraw/zinc/66/78/82/427667882.db2.gz ZRBZJBJTHIXOJO-GZBFAFLISA-N 1 3 305.470 2.576 20 0 DFADHO c1ccc([C@@H]2OCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000343335235 272120972 /nfs/dbraw/zinc/12/09/72/272120972.db2.gz HWUKPECPGOSWPY-HCXYKTFWSA-N 1 3 300.446 2.981 20 0 DFADHO c1ccc([C@@H]2OCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000343335235 272120975 /nfs/dbraw/zinc/12/09/75/272120975.db2.gz HWUKPECPGOSWPY-HCXYKTFWSA-N 1 3 300.446 2.981 20 0 DFADHO CC(C)[NH+](CCCNC[C@H]1CCO[C@H]1c1ccnn1C)C(C)C ZINC000343351826 272125820 /nfs/dbraw/zinc/12/58/20/272125820.db2.gz DTTNWKFIPFVROO-SJLPKXTDSA-N 1 3 322.497 2.596 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)[C@H]1CCOC1 ZINC000343492858 272159507 /nfs/dbraw/zinc/15/95/07/272159507.db2.gz CMWQUOCAYWLOHO-UXLLHSPISA-N 1 3 306.450 2.703 20 0 DFADHO C[C@H](CCO)CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000295054588 427674560 /nfs/dbraw/zinc/67/45/60/427674560.db2.gz GBMBAYCBNPAGLZ-FRYIKTPZSA-N 1 3 316.489 2.895 20 0 DFADHO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000343581919 272176426 /nfs/dbraw/zinc/17/64/26/272176426.db2.gz PJRHCRQZEKENEI-HNNXBMFYSA-N 1 3 311.514 2.734 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H]1CCc2c1ccc(OC)c2F ZINC000343813824 272224442 /nfs/dbraw/zinc/22/44/42/272224442.db2.gz CQFKPFHVKVHKCE-MRXNPFEDSA-N 1 3 324.440 2.770 20 0 DFADHO COc1cccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)c1 ZINC000193202405 427677593 /nfs/dbraw/zinc/67/75/93/427677593.db2.gz VTSXCIAFNAXJHJ-PHSGOXPASA-N 1 3 317.477 2.513 20 0 DFADHO COc1cccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)c1 ZINC000193202405 427677598 /nfs/dbraw/zinc/67/75/98/427677598.db2.gz VTSXCIAFNAXJHJ-PHSGOXPASA-N 1 3 317.477 2.513 20 0 DFADHO COc1cccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)N(C)C)c1 ZINC000193202405 427677603 /nfs/dbraw/zinc/67/76/03/427677603.db2.gz VTSXCIAFNAXJHJ-PHSGOXPASA-N 1 3 317.477 2.513 20 0 DFADHO Cc1ccc(NC(=O)[C@H]2CC[N@H+](C)[C@H](C)C2)c(CN(C)C)c1 ZINC000344208285 272287497 /nfs/dbraw/zinc/28/74/97/272287497.db2.gz UHIICTAKGAPMRM-CABCVRRESA-N 1 3 303.450 2.725 20 0 DFADHO Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(CN(C)C)c1 ZINC000344208285 272287498 /nfs/dbraw/zinc/28/74/98/272287498.db2.gz UHIICTAKGAPMRM-CABCVRRESA-N 1 3 303.450 2.725 20 0 DFADHO COc1cc(NC(C)=O)ccc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000344296004 272307012 /nfs/dbraw/zinc/30/70/12/272307012.db2.gz LGKZKRHCFYUASG-CYBMUJFWSA-N 1 3 317.433 2.566 20 0 DFADHO COc1cc(NC(C)=O)ccc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000344296004 272307013 /nfs/dbraw/zinc/30/70/13/272307013.db2.gz LGKZKRHCFYUASG-CYBMUJFWSA-N 1 3 317.433 2.566 20 0 DFADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000344307643 272308681 /nfs/dbraw/zinc/30/86/81/272308681.db2.gz XLANDMLUOGKTGQ-ZDUSSCGKSA-N 1 3 313.445 2.829 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000344614946 272348396 /nfs/dbraw/zinc/34/83/96/272348396.db2.gz LOOIRFAIZXNMNW-YESZJQIVSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000344614946 272348398 /nfs/dbraw/zinc/34/83/98/272348398.db2.gz LOOIRFAIZXNMNW-YESZJQIVSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H]([NH2+]C1CCN(C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272270099 427691551 /nfs/dbraw/zinc/69/15/51/427691551.db2.gz BCZCWBDVRREMFY-AEFFLSMTSA-N 1 3 301.478 2.581 20 0 DFADHO C[C@H]([NH2+]C1CCN(C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272270111 427691635 /nfs/dbraw/zinc/69/16/35/427691635.db2.gz BCZCWBDVRREMFY-WMZOPIPTSA-N 1 3 301.478 2.581 20 0 DFADHO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCCN1CCCC1 ZINC000193459809 427693126 /nfs/dbraw/zinc/69/31/26/427693126.db2.gz COKCORGCYLNEPF-INIZCTEOSA-N 1 3 313.449 2.746 20 0 DFADHO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCCN1CCCC1 ZINC000193459809 427693130 /nfs/dbraw/zinc/69/31/30/427693130.db2.gz COKCORGCYLNEPF-INIZCTEOSA-N 1 3 313.449 2.746 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CO)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185755414 427701799 /nfs/dbraw/zinc/70/17/99/427701799.db2.gz WKHAYMOZQBXTQW-QAPCUYQASA-N 1 3 302.462 2.922 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@H]1C ZINC000336871834 427768373 /nfs/dbraw/zinc/76/83/73/427768373.db2.gz NIHCOZVZCQWWTA-CZUORRHYSA-N 1 3 315.465 2.581 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@H]1C ZINC000336871834 427768375 /nfs/dbraw/zinc/76/83/75/427768375.db2.gz NIHCOZVZCQWWTA-CZUORRHYSA-N 1 3 315.465 2.581 20 0 DFADHO Cc1ccc(CCC[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)cn1 ZINC000339406877 427769167 /nfs/dbraw/zinc/76/91/67/427769167.db2.gz GZVHKZMOQWSACR-UXHICEINSA-N 1 3 309.457 2.997 20 0 DFADHO Cc1ccc(CCC[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)cn1 ZINC000339406877 427769169 /nfs/dbraw/zinc/76/91/69/427769169.db2.gz GZVHKZMOQWSACR-UXHICEINSA-N 1 3 309.457 2.997 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(C)(C)C1CC1 ZINC000339655955 427808103 /nfs/dbraw/zinc/80/81/03/427808103.db2.gz XWMFBANZZSHCSL-QGZVFWFLSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(C)(C)C1CC1 ZINC000339655955 427808106 /nfs/dbraw/zinc/80/81/06/427808106.db2.gz XWMFBANZZSHCSL-QGZVFWFLSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@](O)(CN1CCC(CCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC000337172837 427809327 /nfs/dbraw/zinc/80/93/27/427809327.db2.gz FXJNZMCJWUZGRQ-OAHLLOKOSA-N 1 3 322.415 2.888 20 0 DFADHO COCC[NH+]1CCC(NCc2ccc(C(C)(F)F)cc2)CC1 ZINC000340426528 427844887 /nfs/dbraw/zinc/84/48/87/427844887.db2.gz KHJXPVNPIZOKRK-UHFFFAOYSA-N 1 3 312.404 2.999 20 0 DFADHO c1ccc(CN2CC[C@H](N3CCC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000355686042 427848547 /nfs/dbraw/zinc/84/85/47/427848547.db2.gz YSMQEZNTXVTMAI-PMACEKPBSA-N 1 3 313.489 2.821 20 0 DFADHO CCC(CC)CC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000345660274 427848894 /nfs/dbraw/zinc/84/88/94/427848894.db2.gz YSRUVBISTKNICG-QGZVFWFLSA-N 1 3 311.514 2.687 20 0 DFADHO CCC(CC)CC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000345660274 427848900 /nfs/dbraw/zinc/84/89/00/427848900.db2.gz YSRUVBISTKNICG-QGZVFWFLSA-N 1 3 311.514 2.687 20 0 DFADHO Cc1cccc(N2CCN(CCCNc3cc[nH+]cc3C)CC2)c1 ZINC000359445582 427853839 /nfs/dbraw/zinc/85/38/39/427853839.db2.gz WSIVCESRTOANOJ-UHFFFAOYSA-N 1 3 324.472 2.745 20 0 DFADHO CN(CCCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])Cc1ccccc1 ZINC000345693814 427862200 /nfs/dbraw/zinc/86/22/00/427862200.db2.gz OZNSGSGUKAXKRE-MJGOQNOKSA-N 1 3 317.477 2.532 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337427248 427901136 /nfs/dbraw/zinc/90/11/36/427901136.db2.gz BRGSXZXXVFLDGX-DLBZAZTESA-N 1 3 316.493 2.883 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337427248 427901139 /nfs/dbraw/zinc/90/11/39/427901139.db2.gz BRGSXZXXVFLDGX-DLBZAZTESA-N 1 3 316.493 2.883 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337427248 427901146 /nfs/dbraw/zinc/90/11/46/427901146.db2.gz BRGSXZXXVFLDGX-DLBZAZTESA-N 1 3 316.493 2.883 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337427248 427901149 /nfs/dbraw/zinc/90/11/49/427901149.db2.gz BRGSXZXXVFLDGX-DLBZAZTESA-N 1 3 316.493 2.883 20 0 DFADHO CC[C@H](C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)N(CC)CC ZINC000345790909 427908470 /nfs/dbraw/zinc/90/84/70/427908470.db2.gz HHVSNXUWPCRTFR-YYIAUSFCSA-N 1 3 311.514 2.589 20 0 DFADHO CC[C@H](C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)N(CC)CC ZINC000345790909 427908475 /nfs/dbraw/zinc/90/84/75/427908475.db2.gz HHVSNXUWPCRTFR-YYIAUSFCSA-N 1 3 311.514 2.589 20 0 DFADHO CC[C@H](C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)N(CC)CC ZINC000345790906 427908722 /nfs/dbraw/zinc/90/87/22/427908722.db2.gz HHVSNXUWPCRTFR-QBPKDAKJSA-N 1 3 311.514 2.589 20 0 DFADHO [NH3+]CC1CCN(Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000346686805 272669811 /nfs/dbraw/zinc/66/98/11/272669811.db2.gz KMDXEXBUKFIDPW-UHFFFAOYSA-N 1 3 311.429 2.831 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000346788170 272683538 /nfs/dbraw/zinc/68/35/38/272683538.db2.gz HBMGYFPBRQHICT-BXWFABGCSA-N 1 3 319.493 2.760 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000337584304 427969028 /nfs/dbraw/zinc/96/90/28/427969028.db2.gz DIGINIWAAPPCAS-XIRDDKMYSA-N 1 3 318.461 2.851 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000337584304 427969032 /nfs/dbraw/zinc/96/90/32/427969032.db2.gz DIGINIWAAPPCAS-XIRDDKMYSA-N 1 3 318.461 2.851 20 0 DFADHO COC1(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCCCC1 ZINC000359700172 427978958 /nfs/dbraw/zinc/97/89/58/427978958.db2.gz MJVNCSVRGPGDGY-ZWKOTPCHSA-N 1 3 324.509 2.693 20 0 DFADHO C[C@H]1[C@H]([NH2+]CC2=CCN(C)CC2)CCCN1Cc1ccccc1 ZINC000340314540 427983197 /nfs/dbraw/zinc/98/31/97/427983197.db2.gz DVJCMEYLKCNNAL-FXAWDEMLSA-N 1 3 313.489 2.891 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)CN(C)C)[C@H]1Oc1ccccc1 ZINC000359716189 427985005 /nfs/dbraw/zinc/98/50/05/427985005.db2.gz MHIJQKQYKQNZBZ-RCCFBDPRSA-N 1 3 320.477 2.789 20 0 DFADHO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340180314 427947140 /nfs/dbraw/zinc/94/71/40/427947140.db2.gz HKNXPBOQXHJMFQ-QRVBRYPASA-N 1 3 301.478 2.896 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000359806280 428025075 /nfs/dbraw/zinc/02/50/75/428025075.db2.gz LWIKWUCXEIXFHC-NVXWUHKLSA-N 1 3 309.498 2.630 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000359806280 428025078 /nfs/dbraw/zinc/02/50/78/428025078.db2.gz LWIKWUCXEIXFHC-NVXWUHKLSA-N 1 3 309.498 2.630 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+]C[C@@H]3CCCOC3)cc2)CC1 ZINC000341253103 428028139 /nfs/dbraw/zinc/02/81/39/428028139.db2.gz JJVTYNVUUFJXJH-KRWDZBQOSA-N 1 3 318.461 2.676 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+]([C@H](C)CCc2cccc(F)c2)CC1 ZINC000341332799 428033943 /nfs/dbraw/zinc/03/39/43/428033943.db2.gz WQWQQQFGEFSQTB-HZPDHXFCSA-N 1 3 322.468 2.924 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000347475223 272794021 /nfs/dbraw/zinc/79/40/21/272794021.db2.gz NGKLPILYDIXDPO-GOSISDBHSA-N 1 3 317.477 2.518 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000369558281 427996792 /nfs/dbraw/zinc/99/67/92/427996792.db2.gz CIQABAYFCHOXII-LUKYLMHMSA-N 1 3 304.482 2.909 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000359778305 428015339 /nfs/dbraw/zinc/01/53/39/428015339.db2.gz NIEGIPSJHUTBTR-OAHLLOKOSA-N 1 3 305.466 2.598 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000359778305 428015342 /nfs/dbraw/zinc/01/53/42/428015342.db2.gz NIEGIPSJHUTBTR-OAHLLOKOSA-N 1 3 305.466 2.598 20 0 DFADHO CCOCCOCc1cccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000359944979 428088602 /nfs/dbraw/zinc/08/86/02/428088602.db2.gz WJJDVDGCPVTGJO-APWZRJJASA-N 1 3 320.477 2.670 20 0 DFADHO CCOCCOCc1cccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000359944979 428088608 /nfs/dbraw/zinc/08/86/08/428088608.db2.gz WJJDVDGCPVTGJO-APWZRJJASA-N 1 3 320.477 2.670 20 0 DFADHO CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](C1CC1)N1CCCC1 ZINC000346302511 428115840 /nfs/dbraw/zinc/11/58/40/428115840.db2.gz DLXOULZHGTUDSJ-GOSISDBHSA-N 1 3 321.509 2.585 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000346360628 428140624 /nfs/dbraw/zinc/14/06/24/428140624.db2.gz JGLAFRRCRFZMPF-FYQPLNBISA-N 1 3 314.473 2.913 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000346374802 428147980 /nfs/dbraw/zinc/14/79/80/428147980.db2.gz BMJCPZGBDREXHA-ZBFHGGJFSA-N 1 3 303.450 2.725 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000346374802 428147984 /nfs/dbraw/zinc/14/79/84/428147984.db2.gz BMJCPZGBDREXHA-ZBFHGGJFSA-N 1 3 303.450 2.725 20 0 DFADHO CN1CC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1cccs1 ZINC000370164693 428148959 /nfs/dbraw/zinc/14/89/59/428148959.db2.gz XYOCDCFMJRRXLR-IUODEOHRSA-N 1 3 315.446 2.772 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000341699027 428160471 /nfs/dbraw/zinc/16/04/71/428160471.db2.gz QHGAIDLKJRCZQD-HNNXBMFYSA-N 1 3 324.852 2.600 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000360212751 428205991 /nfs/dbraw/zinc/20/59/91/428205991.db2.gz KTTWKJIBGMJAJM-IRXDYDNUSA-N 1 3 323.456 2.711 20 0 DFADHO CC[C@H](C)[C@H](C)C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000356498859 428206096 /nfs/dbraw/zinc/20/60/96/428206096.db2.gz ACQPWVPBVTUEHC-YESZJQIVSA-N 1 3 311.514 2.543 20 0 DFADHO CC[C@H](C)[C@H](C)C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000356498859 428206097 /nfs/dbraw/zinc/20/60/97/428206097.db2.gz ACQPWVPBVTUEHC-YESZJQIVSA-N 1 3 311.514 2.543 20 0 DFADHO COc1ccc(C[C@@H](C)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000414110323 428209554 /nfs/dbraw/zinc/20/95/54/428209554.db2.gz ICNNAIUFIPRLRD-GDBMZVCRSA-N 1 3 303.450 2.628 20 0 DFADHO COc1ccc(C[C@@H](C)N[C@@H]2CC[N@H+](C3CCCC3)C2)cn1 ZINC000414110323 428209558 /nfs/dbraw/zinc/20/95/58/428209558.db2.gz ICNNAIUFIPRLRD-GDBMZVCRSA-N 1 3 303.450 2.628 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cn1 ZINC000414124206 428211831 /nfs/dbraw/zinc/21/18/31/428211831.db2.gz PFNULSHGRKVQOZ-RDJZCZTQSA-N 1 3 305.466 2.731 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000414124206 428211837 /nfs/dbraw/zinc/21/18/37/428211837.db2.gz PFNULSHGRKVQOZ-RDJZCZTQSA-N 1 3 305.466 2.731 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000414124206 428211840 /nfs/dbraw/zinc/21/18/40/428211840.db2.gz PFNULSHGRKVQOZ-RDJZCZTQSA-N 1 3 305.466 2.731 20 0 DFADHO Cc1nnc([C@H]2CC23CC[NH+](CC[C@@H]2CCCCN2C)CC3)o1 ZINC000370496220 428222709 /nfs/dbraw/zinc/22/27/09/428222709.db2.gz LSECVOZCYAMNBU-JKSUJKDBSA-N 1 3 318.465 2.822 20 0 DFADHO COC(=O)c1csc([C@@H](C)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000414184679 428227760 /nfs/dbraw/zinc/22/77/60/428227760.db2.gz OCSCKBCIGRYGEN-OLZOCXBDSA-N 1 3 310.463 2.917 20 0 DFADHO COC(=O)c1csc([C@@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414184679 428227765 /nfs/dbraw/zinc/22/77/65/428227765.db2.gz OCSCKBCIGRYGEN-OLZOCXBDSA-N 1 3 310.463 2.917 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)C(F)(F)F)[C@@H](C)C1 ZINC000346594794 428231707 /nfs/dbraw/zinc/23/17/07/428231707.db2.gz CLBWMZWBKUOEOE-IHRRRGAJSA-N 1 3 310.404 2.911 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)C(F)(F)F)[C@@H](C)C1 ZINC000346594794 428231711 /nfs/dbraw/zinc/23/17/11/428231711.db2.gz CLBWMZWBKUOEOE-IHRRRGAJSA-N 1 3 310.404 2.911 20 0 DFADHO CCc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000352756158 428233794 /nfs/dbraw/zinc/23/37/94/428233794.db2.gz OLYMGXDHVDAREU-IYBDPMFKSA-N 1 3 305.466 2.623 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]CCCN2CCC(C)CC2)cn1 ZINC000414063817 428197529 /nfs/dbraw/zinc/19/75/29/428197529.db2.gz MXRZCUYUEWEVHD-MRXNPFEDSA-N 1 3 305.466 2.733 20 0 DFADHO COc1ccc(C[C@@H](C)NCCC[NH+]2CCC(C)CC2)cn1 ZINC000414063817 428197532 /nfs/dbraw/zinc/19/75/32/428197532.db2.gz MXRZCUYUEWEVHD-MRXNPFEDSA-N 1 3 305.466 2.733 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)CCN1C ZINC000370654438 428264182 /nfs/dbraw/zinc/26/41/82/428264182.db2.gz SXDWUJSLRVHVMF-MISYRCLQSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)C(C)(C)n1cncn1 ZINC000370740297 428289773 /nfs/dbraw/zinc/28/97/73/428289773.db2.gz RRSJVARDVLSIPV-OAHLLOKOSA-N 1 3 319.497 2.646 20 0 DFADHO C[C@@H](NC1CC[NH+](CC2CCCC2)CC1)C(C)(C)n1cncn1 ZINC000370740297 428289777 /nfs/dbraw/zinc/28/97/77/428289777.db2.gz RRSJVARDVLSIPV-OAHLLOKOSA-N 1 3 319.497 2.646 20 0 DFADHO COCCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000341896657 428243586 /nfs/dbraw/zinc/24/35/86/428243586.db2.gz IWVIESAMNGSRHP-YQQAZPJKSA-N 1 3 306.450 2.530 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000370612376 428251695 /nfs/dbraw/zinc/25/16/95/428251695.db2.gz LXZQJGPJHGBHQD-SFHVURJKSA-N 1 3 315.461 2.809 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CS[C@@H](C)C2)CC1 ZINC000414502813 428322767 /nfs/dbraw/zinc/32/27/67/428322767.db2.gz VDMQOICCOFIFIF-RDJZCZTQSA-N 1 3 319.518 2.812 20 0 DFADHO CN(C)c1ccncc1CNc1ccc(C[NH+](C)C)cc1F ZINC000414504341 428323186 /nfs/dbraw/zinc/32/31/86/428323186.db2.gz YBQURDZFSYQPOW-UHFFFAOYSA-N 1 3 302.397 2.960 20 0 DFADHO COc1ccc(OCCCN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000342152818 428326265 /nfs/dbraw/zinc/32/62/65/428326265.db2.gz YTBLABFXXBXGIE-QGTPRVQTSA-N 1 3 304.434 2.523 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(OCC(F)F)cc3)C[C@@H]21 ZINC000346813220 428327301 /nfs/dbraw/zinc/32/73/01/428327301.db2.gz ADAMEXVPOWTHQE-CWRNSKLLSA-N 1 3 310.388 2.890 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]21 ZINC000346823945 428332049 /nfs/dbraw/zinc/33/20/49/428332049.db2.gz KEERQLXTSXHVIZ-XOKHGSTOSA-N 1 3 314.408 2.775 20 0 DFADHO FC(F)(F)CCN1CCC(N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000356844012 428334575 /nfs/dbraw/zinc/33/45/75/428334575.db2.gz LYIPOGOZOBEQEA-LSDHHAIUSA-N 1 3 319.415 2.620 20 0 DFADHO FC(F)(F)CCN1CCC(N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000356844012 428334578 /nfs/dbraw/zinc/33/45/78/428334578.db2.gz LYIPOGOZOBEQEA-LSDHHAIUSA-N 1 3 319.415 2.620 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)CN1CCCC1 ZINC000356840455 428335293 /nfs/dbraw/zinc/33/52/93/428335293.db2.gz FMDVQYFCMWIOSS-AWEZNQCLSA-N 1 3 321.431 2.725 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000414794153 428413956 /nfs/dbraw/zinc/41/39/56/428413956.db2.gz FHDSCWPHMDAQMJ-YSVLISHTSA-N 1 3 303.450 2.683 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000414794153 428413959 /nfs/dbraw/zinc/41/39/59/428413959.db2.gz FHDSCWPHMDAQMJ-YSVLISHTSA-N 1 3 303.450 2.683 20 0 DFADHO C[C@@H]1C[C@H](CN2CCNC[C@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414746363 428393684 /nfs/dbraw/zinc/39/36/84/428393684.db2.gz ZDSVMGOJXDWDQZ-CPUCHLNUSA-N 1 3 307.869 2.674 20 0 DFADHO COc1cccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1OC ZINC000414775110 428401814 /nfs/dbraw/zinc/40/18/14/428401814.db2.gz GEZSSASMTFKSMY-HUUCEWRRSA-N 1 3 304.434 2.525 20 0 DFADHO C[C@@H](Cc1ccccc1)C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414785432 428408084 /nfs/dbraw/zinc/40/80/84/428408084.db2.gz SRCYOHSVIBSTEQ-WMZOPIPTSA-N 1 3 302.462 2.553 20 0 DFADHO C[C@@H](Cc1ccccc1)C[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414785432 428408091 /nfs/dbraw/zinc/40/80/91/428408091.db2.gz SRCYOHSVIBSTEQ-WMZOPIPTSA-N 1 3 302.462 2.553 20 0 DFADHO CCN(CC)c1ncc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000347023851 428410130 /nfs/dbraw/zinc/41/01/30/428410130.db2.gz QEHAUUGOLHVOQF-INIZCTEOSA-N 1 3 322.522 2.953 20 0 DFADHO Cc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1Cl ZINC000414789413 428410686 /nfs/dbraw/zinc/41/06/86/428410686.db2.gz OGTDZGIZKFFSHK-SJORKVTESA-N 1 3 308.853 2.977 20 0 DFADHO COc1cc2c(c(CN3CCC([C@@H](C)[NH3+])CC3)c1)O[C@H](C)C2 ZINC000347025422 428410922 /nfs/dbraw/zinc/41/09/22/428410922.db2.gz SDTRBBLZWZNQTB-CHWSQXEVSA-N 1 3 304.434 2.578 20 0 DFADHO COc1c(C)cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1C ZINC000414792268 428411869 /nfs/dbraw/zinc/41/18/69/428411869.db2.gz RPTOUPUPOCZIJB-MJGOQNOKSA-N 1 3 318.461 2.640 20 0 DFADHO CC[C@@H](NCC(=O)NC1CC[NH+](CC)CC1)c1ccc(C)cc1 ZINC000357051273 428373616 /nfs/dbraw/zinc/37/36/16/428373616.db2.gz FWQBMEVVGYPDFK-GOSISDBHSA-N 1 3 317.477 2.636 20 0 DFADHO C[C@@H]1C[C@@H](CN(C)Cc2ccc(Br)o2)CC[NH2+]1 ZINC000414683231 428374245 /nfs/dbraw/zinc/37/42/45/428374245.db2.gz ZRFFZFLHJUJRAQ-MNOVXSKESA-N 1 3 301.228 2.862 20 0 DFADHO O=C(NC1CCCCC1)[C@@H]1CCC[N@H+](CCCN2CCCC2)C1 ZINC000371179279 428375212 /nfs/dbraw/zinc/37/52/12/428375212.db2.gz XBRMUMVQVKKTJD-QGZVFWFLSA-N 1 3 321.509 2.633 20 0 DFADHO O=C(NC1CCCCC1)[C@@H]1CCC[N@@H+](CCCN2CCCC2)C1 ZINC000371179279 428375216 /nfs/dbraw/zinc/37/52/16/428375216.db2.gz XBRMUMVQVKKTJD-QGZVFWFLSA-N 1 3 321.509 2.633 20 0 DFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2CC2CCCCC2)C1 ZINC000414687778 428376798 /nfs/dbraw/zinc/37/67/98/428376798.db2.gz IBGRHJAZYPZDFO-ROUUACIJSA-N 1 3 321.509 2.619 20 0 DFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2CC2CCCCC2)C1 ZINC000414687778 428376803 /nfs/dbraw/zinc/37/68/03/428376803.db2.gz IBGRHJAZYPZDFO-ROUUACIJSA-N 1 3 321.509 2.619 20 0 DFADHO CCN(C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000414693873 428378705 /nfs/dbraw/zinc/37/87/05/428378705.db2.gz MMJGRZXZBAABAW-NUJGCVRESA-N 1 3 315.461 2.502 20 0 DFADHO CCCCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)CCC ZINC000414700823 428379710 /nfs/dbraw/zinc/37/97/10/428379710.db2.gz ZVPXLEXMQLAASE-IAGOWNOFSA-N 1 3 311.514 2.865 20 0 DFADHO CCCCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)CCC ZINC000414700823 428379717 /nfs/dbraw/zinc/37/97/17/428379717.db2.gz ZVPXLEXMQLAASE-IAGOWNOFSA-N 1 3 311.514 2.865 20 0 DFADHO CCOCc1cc(CN2CCC([C@@H](C)[NH3+])CC2)ccc1OC ZINC000347088487 428439158 /nfs/dbraw/zinc/43/91/58/428439158.db2.gz FDJVWDZFHNBYHA-CQSZACIVSA-N 1 3 306.450 2.791 20 0 DFADHO Cc1nc(COc2ccc(CNC[C@H](C)C[NH3+])cc2)cs1 ZINC000414877878 428439963 /nfs/dbraw/zinc/43/99/63/428439963.db2.gz NMWRSMVAGYPGBZ-GFCCVEGCSA-N 1 3 305.447 2.715 20 0 DFADHO C[C@@H](C[NH3+])CNCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414876280 428440058 /nfs/dbraw/zinc/44/00/58/428440058.db2.gz LCEQDCWQNPVJHR-HNNXBMFYSA-N 1 3 321.428 2.619 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000357225748 428442612 /nfs/dbraw/zinc/44/26/12/428442612.db2.gz BLKSBECMQJIWDK-SXLOBPIMSA-N 1 3 315.505 2.828 20 0 DFADHO CC1(CNCc2cc(O)ccc2Br)CC[NH2+]CC1 ZINC000414897671 428448777 /nfs/dbraw/zinc/44/87/77/428448777.db2.gz FGDKXMBMSUOEOX-UHFFFAOYSA-N 1 3 313.239 2.634 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414904037 428452297 /nfs/dbraw/zinc/45/22/97/428452297.db2.gz JLQLXZHINLSDED-QAPCUYQASA-N 1 3 303.450 2.691 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414904037 428452301 /nfs/dbraw/zinc/45/23/01/428452301.db2.gz JLQLXZHINLSDED-QAPCUYQASA-N 1 3 303.450 2.691 20 0 DFADHO CC(C)c1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CC[NH2+]C2)cc1 ZINC000414902851 428452451 /nfs/dbraw/zinc/45/24/51/428452451.db2.gz HTENBXDRVQCEDG-HUUCEWRRSA-N 1 3 303.450 2.726 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C[C@@H]2C)c(Cl)c1 ZINC000414940899 428461974 /nfs/dbraw/zinc/46/19/74/428461974.db2.gz KZBQVRNORHGXJW-KCQAQPDRSA-N 1 3 323.868 2.953 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)c(Cl)c1 ZINC000414940899 428461977 /nfs/dbraw/zinc/46/19/77/428461977.db2.gz KZBQVRNORHGXJW-KCQAQPDRSA-N 1 3 323.868 2.953 20 0 DFADHO Cc1c([C@H](C)NCCCC[NH+](C)C)nnn1-c1ccccc1 ZINC000360855722 428465760 /nfs/dbraw/zinc/46/57/60/428465760.db2.gz FXVSWTIWLSXMFG-AWEZNQCLSA-N 1 3 301.438 2.568 20 0 DFADHO COc1cc(C[NH2+][C@@H](C)CN)ccc1OCc1ccccc1 ZINC000414946847 428465957 /nfs/dbraw/zinc/46/59/57/428465957.db2.gz TZRHFZSAXJTWCM-AWEZNQCLSA-N 1 3 300.402 2.711 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414948168 428468249 /nfs/dbraw/zinc/46/82/49/428468249.db2.gz XWLAGHSOEUHHKC-YWPYICTPSA-N 1 3 309.841 2.645 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414948168 428468254 /nfs/dbraw/zinc/46/82/54/428468254.db2.gz XWLAGHSOEUHHKC-YWPYICTPSA-N 1 3 309.841 2.645 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000414953421 428469067 /nfs/dbraw/zinc/46/90/67/428469067.db2.gz ROVWSUAUPSXDAR-PMPSAXMXSA-N 1 3 303.450 2.751 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)c(C)c1 ZINC000414953421 428469074 /nfs/dbraw/zinc/46/90/74/428469074.db2.gz ROVWSUAUPSXDAR-PMPSAXMXSA-N 1 3 303.450 2.751 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cc(Cl)c2c(c1)OCCO2 ZINC000414804357 428415236 /nfs/dbraw/zinc/41/52/36/428415236.db2.gz OQZDHBOVQQFAIQ-OCCSQVGLSA-N 1 3 310.825 2.718 20 0 DFADHO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000414796654 428415288 /nfs/dbraw/zinc/41/52/88/428415288.db2.gz HXHAVLAZYOYHSQ-ZQIUZPCESA-N 1 3 319.449 2.519 20 0 DFADHO COc1cccc(NC(=O)C[C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414796654 428415291 /nfs/dbraw/zinc/41/52/91/428415291.db2.gz HXHAVLAZYOYHSQ-ZQIUZPCESA-N 1 3 319.449 2.519 20 0 DFADHO COc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1OC(F)F ZINC000414797787 428416195 /nfs/dbraw/zinc/41/61/95/428416195.db2.gz PNXNTRYXSRIDCH-NWDGAFQWSA-N 1 3 300.349 2.514 20 0 DFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000414799699 428416567 /nfs/dbraw/zinc/41/65/67/428416567.db2.gz KIPWAARHWRMLEL-VBQJREDUSA-N 1 3 319.449 2.519 20 0 DFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414799699 428416569 /nfs/dbraw/zinc/41/65/69/428416569.db2.gz KIPWAARHWRMLEL-VBQJREDUSA-N 1 3 319.449 2.519 20 0 DFADHO [NH3+]C[C@@H]1CN(Cc2cc3ccccc3o2)CC12CCOCC2 ZINC000414797857 428417101 /nfs/dbraw/zinc/41/71/01/428417101.db2.gz YXEZNMYPFQSYMQ-OAHLLOKOSA-N 1 3 300.402 2.620 20 0 DFADHO C[C@H]([NH3+])CCNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414817839 428421382 /nfs/dbraw/zinc/42/13/82/428421382.db2.gz BWSYBUGXMIFJKU-NSHDSACASA-N 1 3 312.339 2.718 20 0 DFADHO CCOc1c(OC)cc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414813495 428422288 /nfs/dbraw/zinc/42/22/88/428422288.db2.gz YKHUSXFBSCDWJR-GJZGRUSLSA-N 1 3 322.449 2.710 20 0 DFADHO CCOC(=O)[C@H](CC)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378540901 428424537 /nfs/dbraw/zinc/42/45/37/428424537.db2.gz QZXKBEGGMUSTLM-KRWDZBQOSA-N 1 3 319.449 2.572 20 0 DFADHO COc1ccc2nc(CNCC[C@H]3CCC[NH2+]C3)sc2c1 ZINC000414830814 428426661 /nfs/dbraw/zinc/42/66/61/428426661.db2.gz CLYCETJMOFSWCD-GFCCVEGCSA-N 1 3 305.447 2.784 20 0 DFADHO CC(C)C[C@@H](CN)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414832052 428427190 /nfs/dbraw/zinc/42/71/90/428427190.db2.gz DDIXITLEEMVGCH-IBGZPJMESA-N 1 3 321.484 2.796 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414828749 428427963 /nfs/dbraw/zinc/42/79/63/428427963.db2.gz MOOMYAKRGLQUBC-JTUUTPGSSA-N 1 3 315.461 2.839 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414842009 428430759 /nfs/dbraw/zinc/43/07/59/428430759.db2.gz ZVPIVVXMDHCFLO-LSVZVQIISA-N 1 3 301.434 2.585 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(N)CCCCC1 ZINC000414846495 428432015 /nfs/dbraw/zinc/43/20/15/428432015.db2.gz SSFPVJPALVTHIW-HNNXBMFYSA-N 1 3 303.450 2.963 20 0 DFADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000392201802 428480354 /nfs/dbraw/zinc/48/03/54/428480354.db2.gz JOGUESHMPXDKFH-HZPDHXFCSA-N 1 3 323.481 2.531 20 0 DFADHO CN1CC=C(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000392221473 428481092 /nfs/dbraw/zinc/48/10/92/428481092.db2.gz ZVFAEFDYTVFFML-INIZCTEOSA-N 1 3 323.481 2.628 20 0 DFADHO CN1CC=C(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000392221474 428481536 /nfs/dbraw/zinc/48/15/36/428481536.db2.gz ZVFAEFDYTVFFML-MRXNPFEDSA-N 1 3 323.481 2.628 20 0 DFADHO CC[C@H](N)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414988314 428483228 /nfs/dbraw/zinc/48/32/28/428483228.db2.gz ZPONLISULTYSCV-LBPRGKRZSA-N 1 3 313.848 2.770 20 0 DFADHO CC[C@H]([NH3+])CNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414988314 428483232 /nfs/dbraw/zinc/48/32/32/428483232.db2.gz ZPONLISULTYSCV-LBPRGKRZSA-N 1 3 313.848 2.770 20 0 DFADHO Brc1cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cs1 ZINC000415010309 428487251 /nfs/dbraw/zinc/48/72/51/428487251.db2.gz OXPHEKCCZJYNGJ-NWDGAFQWSA-N 1 3 315.280 2.988 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@H](C)N ZINC000415012777 428488980 /nfs/dbraw/zinc/48/89/80/428488980.db2.gz JYPRCPIDJZBZRA-WDEREUQCSA-N 1 3 312.339 2.716 20 0 DFADHO Cc1nc(COc2ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc2)cs1 ZINC000415019151 428490623 /nfs/dbraw/zinc/49/06/23/428490623.db2.gz ROKAOKXDJHXKAR-NEPJUHHUSA-N 1 3 305.447 2.856 20 0 DFADHO C[C@H]([NH3+])[C@H](C)NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000415016996 428490695 /nfs/dbraw/zinc/49/06/95/428490695.db2.gz OVQZANBUFWNHQU-RYUDHWBXSA-N 1 3 313.848 2.769 20 0 DFADHO C[N@H+](CCOCC(F)F)CC1CCN(c2ccncc2)CC1 ZINC000372722464 428493373 /nfs/dbraw/zinc/49/33/73/428493373.db2.gz FZMMDFKFLBQEDD-UHFFFAOYSA-N 1 3 313.392 2.512 20 0 DFADHO C[N@@H+](CCOCC(F)F)CC1CCN(c2ccncc2)CC1 ZINC000372722464 428493378 /nfs/dbraw/zinc/49/33/78/428493378.db2.gz FZMMDFKFLBQEDD-UHFFFAOYSA-N 1 3 313.392 2.512 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000395368817 428496695 /nfs/dbraw/zinc/49/66/95/428496695.db2.gz OBZAYSHSELGOCX-MJGOQNOKSA-N 1 3 315.505 2.971 20 0 DFADHO Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CNCCCO1 ZINC000415046233 428497950 /nfs/dbraw/zinc/49/79/50/428497950.db2.gz URUQTFAHDAYJMG-JLJPHGGASA-N 1 3 308.853 2.944 20 0 DFADHO Clc1ccccc1[C@@H]1CCC[C@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000415046233 428497956 /nfs/dbraw/zinc/49/79/56/428497956.db2.gz URUQTFAHDAYJMG-JLJPHGGASA-N 1 3 308.853 2.944 20 0 DFADHO CCOCc1cc(CN2CCC(C[NH2+]C)CC2)ccc1OC ZINC000347230965 428503228 /nfs/dbraw/zinc/50/32/28/428503228.db2.gz XYFWYWRPPIVKFT-UHFFFAOYSA-N 1 3 306.450 2.663 20 0 DFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415068456 428509161 /nfs/dbraw/zinc/50/91/61/428509161.db2.gz RBJXEBCARVAHSZ-GUYCJALGSA-N 1 3 319.449 2.519 20 0 DFADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCc1nc(C)no1 ZINC000360957742 428510020 /nfs/dbraw/zinc/51/00/20/428510020.db2.gz MOJHKUSFTMHVQF-CVEARBPZSA-N 1 3 308.470 2.801 20 0 DFADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCCc1nc(C)no1 ZINC000360957742 428510024 /nfs/dbraw/zinc/51/00/24/428510024.db2.gz MOJHKUSFTMHVQF-CVEARBPZSA-N 1 3 308.470 2.801 20 0 DFADHO CC(C)(C)[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415082776 428513358 /nfs/dbraw/zinc/51/33/58/428513358.db2.gz MCCZQNMSMPKDGY-MAUKXSAKSA-N 1 3 317.477 2.561 20 0 DFADHO COc1ccc(F)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000360964244 428514024 /nfs/dbraw/zinc/51/40/24/428514024.db2.gz OQUPNOJOPNJXGK-GASCZTMLSA-N 1 3 324.440 2.813 20 0 DFADHO C[C@@H]([NH2+]C1CCNCC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000415087820 428516353 /nfs/dbraw/zinc/51/63/53/428516353.db2.gz VASUIDILOVZOHE-BEFAXECRSA-N 1 3 318.461 2.653 20 0 DFADHO CC(C)C[C@@H](N)C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000415103630 428520877 /nfs/dbraw/zinc/52/08/77/428520877.db2.gz KRAOJWYYEAGDKZ-CYBMUJFWSA-N 1 3 304.463 2.711 20 0 DFADHO C[C@@H](NC1CCC([NH3+])CC1)c1nc(-c2cccc(F)c2)no1 ZINC000415112717 428523137 /nfs/dbraw/zinc/52/31/37/428523137.db2.gz VVNBKGAZPZCSEX-GWMXKSKGSA-N 1 3 304.369 2.796 20 0 DFADHO COc1cccc(OCCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415115234 428524080 /nfs/dbraw/zinc/52/40/80/428524080.db2.gz GRMJNJRIXBWYMP-GUDVDZBRSA-N 1 3 318.461 2.974 20 0 DFADHO COC[C@@]1(C[NH2+]CCCc2c(F)cccc2Cl)CCCN1 ZINC000414958217 428471466 /nfs/dbraw/zinc/47/14/66/428471466.db2.gz RDHLVNJKTAJIKJ-INIZCTEOSA-N 1 3 314.832 2.770 20 0 DFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000390749341 428474280 /nfs/dbraw/zinc/47/42/80/428474280.db2.gz RPYJJUTWKGFSOZ-NVXWUHKLSA-N 1 3 319.493 2.647 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNCCC[C@@H]2CCC[NH2+]2)c1 ZINC000414964187 428474644 /nfs/dbraw/zinc/47/46/44/428474644.db2.gz LXWXRVROOYMSCK-CQSZACIVSA-N 1 3 310.825 2.748 20 0 DFADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)C1(C(=O)OC)CCC1 ZINC000353542948 428585730 /nfs/dbraw/zinc/58/57/30/428585730.db2.gz NXLZRJDDIVEDEA-HOTGVXAUSA-N 1 3 310.482 2.818 20 0 DFADHO CCc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415139415 428534391 /nfs/dbraw/zinc/53/43/91/428534391.db2.gz ZQJIREZIGSCFBR-OALUTQOASA-N 1 3 302.462 2.967 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000373285048 428539198 /nfs/dbraw/zinc/53/91/98/428539198.db2.gz NHTUEYCIHINZKD-QGZVFWFLSA-N 1 3 320.452 2.679 20 0 DFADHO C[C@H](NCCc1ccc(Br)s1)[C@@H]1CC[NH2+]C1 ZINC000400360521 428543458 /nfs/dbraw/zinc/54/34/58/428543458.db2.gz NLNRRQUURLLENQ-VHSXEESVSA-N 1 3 303.269 2.641 20 0 DFADHO CN(CCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353456687 428546393 /nfs/dbraw/zinc/54/63/93/428546393.db2.gz WFTAPSKLBFCPSO-ZCNNSNEGSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400449037 428546909 /nfs/dbraw/zinc/54/69/09/428546909.db2.gz OFKKIHMHFFMLPG-GOEBONIOSA-N 1 3 323.481 2.626 20 0 DFADHO C[C@@H](c1cnccn1)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000373352341 428553409 /nfs/dbraw/zinc/55/34/09/428553409.db2.gz DVHHIXIMXIPERB-GJZGRUSLSA-N 1 3 300.450 2.734 20 0 DFADHO C[C@@H](c1cnccn1)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000373352341 428553417 /nfs/dbraw/zinc/55/34/17/428553417.db2.gz DVHHIXIMXIPERB-GJZGRUSLSA-N 1 3 300.450 2.734 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccccc2-n2ccnc2)[C@H]2CCC[C@@H]21 ZINC000353494657 428563833 /nfs/dbraw/zinc/56/38/33/428563833.db2.gz DIIXSUGJCOKNNL-AOIWGVFYSA-N 1 3 310.445 2.835 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccccc2-n2ccnc2)[C@H]2CCC[C@@H]21 ZINC000353494657 428563836 /nfs/dbraw/zinc/56/38/36/428563836.db2.gz DIIXSUGJCOKNNL-AOIWGVFYSA-N 1 3 310.445 2.835 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H](CO)CC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000361435397 428568277 /nfs/dbraw/zinc/56/82/77/428568277.db2.gz LNABFJPLRMGAIG-FVQBIDKESA-N 1 3 312.404 2.645 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H](CO)CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000361435397 428568283 /nfs/dbraw/zinc/56/82/83/428568283.db2.gz LNABFJPLRMGAIG-FVQBIDKESA-N 1 3 312.404 2.645 20 0 DFADHO CC(C)C[N@@H+]1CCCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000361476436 428571669 /nfs/dbraw/zinc/57/16/69/428571669.db2.gz BWPAMMWFUDIYPD-UHFFFAOYSA-N 1 3 317.477 2.552 20 0 DFADHO CC(C)C[N@H+]1CCCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000361476436 428571671 /nfs/dbraw/zinc/57/16/71/428571671.db2.gz BWPAMMWFUDIYPD-UHFFFAOYSA-N 1 3 317.477 2.552 20 0 DFADHO CN1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@H]2CCC[C@H]21 ZINC000353514225 428573362 /nfs/dbraw/zinc/57/33/62/428573362.db2.gz BUDRJFKUCWOIJU-CEXWTWQISA-N 1 3 305.510 2.856 20 0 DFADHO COc1c(C)cc(CN2CCC(OCC[NH+](C)C)CC2)cc1C ZINC000353527290 428579015 /nfs/dbraw/zinc/57/90/15/428579015.db2.gz CEUGQJDWDUDENQ-UHFFFAOYSA-N 1 3 320.477 2.855 20 0 DFADHO C[NH+](C)CCOC1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000353571903 428599692 /nfs/dbraw/zinc/59/96/92/428599692.db2.gz IZTGWOUVBNUZBZ-UHFFFAOYSA-N 1 3 316.445 2.505 20 0 DFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358705425 428634191 /nfs/dbraw/zinc/63/41/91/428634191.db2.gz MFZJSFBRVPMQGE-SJORKVTESA-N 1 3 323.525 2.735 20 0 DFADHO C[C@H]1CN(C2CC2)C[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000361973955 428606521 /nfs/dbraw/zinc/60/65/21/428606521.db2.gz ZSPDAIPPYUHSOR-HNAYVOBHSA-N 1 3 305.510 2.856 20 0 DFADHO CCCCN(CC)C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000347573300 428606794 /nfs/dbraw/zinc/60/67/94/428606794.db2.gz UMVAYALNVHGBRM-UHFFFAOYSA-N 1 3 311.514 2.689 20 0 DFADHO CC(C)C[C@@H](CN(C)C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358595287 428609504 /nfs/dbraw/zinc/60/95/04/428609504.db2.gz LVDQVJMCAYIORK-INIZCTEOSA-N 1 3 311.514 2.591 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)CCc1ccccc1Cl ZINC000344031149 428612794 /nfs/dbraw/zinc/61/27/94/428612794.db2.gz PIGBZLSXFZTSPM-UHFFFAOYSA-N 1 3 311.901 2.698 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)CCc1ccccc1Cl ZINC000344031149 428612797 /nfs/dbraw/zinc/61/27/97/428612797.db2.gz PIGBZLSXFZTSPM-UHFFFAOYSA-N 1 3 311.901 2.698 20 0 DFADHO C[C@@H]1CCC[C@H]([NH2+]Cc2ccncc2OCCN(C)C)[C@H]1C ZINC000344042256 428616498 /nfs/dbraw/zinc/61/64/98/428616498.db2.gz JVVITUHFQGBCSA-VYDXJSESSA-N 1 3 305.466 2.936 20 0 DFADHO C[C@H](c1cc(F)ccc1F)N(C)CCCN(C)CC[NH+](C)C ZINC000344039129 428618649 /nfs/dbraw/zinc/61/86/49/428618649.db2.gz TYBIQJDLNSDUIQ-CQSZACIVSA-N 1 3 313.436 2.841 20 0 DFADHO CNCc1ccccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000415913110 428624468 /nfs/dbraw/zinc/62/44/68/428624468.db2.gz OXBTWSUCVDKGBE-UHFFFAOYSA-N 1 3 318.465 2.648 20 0 DFADHO CNCc1ccccc1NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000415920306 428625849 /nfs/dbraw/zinc/62/58/49/428625849.db2.gz JTGFTQVPHMRDSR-OAHLLOKOSA-N 1 3 318.465 2.792 20 0 DFADHO CNCc1cccc(NC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000415921616 428626549 /nfs/dbraw/zinc/62/65/49/428626549.db2.gz RVPQUIAMRXHKNZ-UHFFFAOYSA-N 1 3 318.465 2.840 20 0 DFADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000344302005 428628224 /nfs/dbraw/zinc/62/82/24/428628224.db2.gz VKJGFHHWQLKSBM-TVFCKZIOSA-N 1 3 306.494 2.902 20 0 DFADHO CNCc1cccc(NC(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000415925291 428629684 /nfs/dbraw/zinc/62/96/84/428629684.db2.gz ABZPBDIXVYMJRB-UHFFFAOYSA-N 1 3 318.465 2.792 20 0 DFADHO CNCc1cccc(NC(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000415925291 428629688 /nfs/dbraw/zinc/62/96/88/428629688.db2.gz ABZPBDIXVYMJRB-UHFFFAOYSA-N 1 3 318.465 2.792 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415937599 428631249 /nfs/dbraw/zinc/63/12/49/428631249.db2.gz XYOBYPZTHOVTLH-UHFFFAOYSA-N 1 3 318.465 2.746 20 0 DFADHO CCCCn1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c(C)n1 ZINC000353628789 428631533 /nfs/dbraw/zinc/63/15/33/428631533.db2.gz BWAZIROJPFGQDL-KURKYZTESA-N 1 3 304.482 2.954 20 0 DFADHO CN1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccccc1 ZINC000415965255 428637933 /nfs/dbraw/zinc/63/79/33/428637933.db2.gz XTASWUGMLMZVLH-QZTJIDSGSA-N 1 3 324.428 2.712 20 0 DFADHO COCC[C@H](COC)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000353649781 428639512 /nfs/dbraw/zinc/63/95/12/428639512.db2.gz ORFOPARTUMYOND-NXHRZFHOSA-N 1 3 312.498 2.671 20 0 DFADHO CN(C)C[C@H](NC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000415960363 428635041 /nfs/dbraw/zinc/63/50/41/428635041.db2.gz QCKDMZSVFVRFIN-KRWDZBQOSA-N 1 3 312.417 2.570 20 0 DFADHO C[C@@H](C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000263280023 274200174 /nfs/dbraw/zinc/20/01/74/274200174.db2.gz RPOAMUVPMFDQKO-HPFXQQBRSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@@H](C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000263280023 274200175 /nfs/dbraw/zinc/20/01/75/274200175.db2.gz RPOAMUVPMFDQKO-HPFXQQBRSA-N 1 3 317.477 2.559 20 0 DFADHO CO[C@@]1(C)CCCN(CC(C)C[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348230556 428668457 /nfs/dbraw/zinc/66/84/57/428668457.db2.gz HAOZMGHXOLHDOJ-ROUUACIJSA-N 1 3 312.498 2.624 20 0 DFADHO CO[C@@]1(C)CCCN(CC(C)C[N@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348230556 428668460 /nfs/dbraw/zinc/66/84/60/428668460.db2.gz HAOZMGHXOLHDOJ-ROUUACIJSA-N 1 3 312.498 2.624 20 0 DFADHO CN(C)[C@H](CC(=O)NCCCC[N@H+](C)C1CC1)c1ccccc1 ZINC000416242297 428698674 /nfs/dbraw/zinc/69/86/74/428698674.db2.gz FUPGLBCIFKXOJJ-GOSISDBHSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)[C@H](CC(=O)NCCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000416242297 428698681 /nfs/dbraw/zinc/69/86/81/428698681.db2.gz FUPGLBCIFKXOJJ-GOSISDBHSA-N 1 3 317.477 2.670 20 0 DFADHO c1ccc(CN2C[C@H]3CC[C@@H]([NH2+]CC4=CCCOC4)[C@@H]3C2)cc1 ZINC000374605484 428709541 /nfs/dbraw/zinc/70/95/41/428709541.db2.gz PGAXWZXMADZFIO-VAMGGRTRSA-N 1 3 312.457 2.833 20 0 DFADHO c1ccc(C[N@H+]2C[C@H]3CC[C@@H](NCC4=CCCOC4)[C@@H]3C2)cc1 ZINC000374605484 428709546 /nfs/dbraw/zinc/70/95/46/428709546.db2.gz PGAXWZXMADZFIO-VAMGGRTRSA-N 1 3 312.457 2.833 20 0 DFADHO c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](NCC4=CCCOC4)[C@@H]3C2)cc1 ZINC000374605484 428709549 /nfs/dbraw/zinc/70/95/49/428709549.db2.gz PGAXWZXMADZFIO-VAMGGRTRSA-N 1 3 312.457 2.833 20 0 DFADHO CCN1C[C@H](C)[C@H]([NH2+]CC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000344619675 428683811 /nfs/dbraw/zinc/68/38/11/428683811.db2.gz XDKWLNRFMHKVSU-JENIJYKNSA-N 1 3 303.494 2.827 20 0 DFADHO OCC[N@@H+](Cc1cccc(CN2CCCCC2)c1)CC1CC1 ZINC000411184811 428753272 /nfs/dbraw/zinc/75/32/72/428753272.db2.gz LRQYFFIMJGRQJY-UHFFFAOYSA-N 1 3 302.462 2.877 20 0 DFADHO OCC[N@H+](Cc1cccc(CN2CCCCC2)c1)CC1CC1 ZINC000411184811 428753276 /nfs/dbraw/zinc/75/32/76/428753276.db2.gz LRQYFFIMJGRQJY-UHFFFAOYSA-N 1 3 302.462 2.877 20 0 DFADHO C[C@@H](C(=O)N[C@@H](CN(C)C)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411185929 428754285 /nfs/dbraw/zinc/75/42/85/428754285.db2.gz OLBBKNCWSYEFGF-DFGXFYAUSA-N 1 3 317.477 2.667 20 0 DFADHO C[C@@H](C(=O)N[C@@H](CN(C)C)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411185929 428754291 /nfs/dbraw/zinc/75/42/91/428754291.db2.gz OLBBKNCWSYEFGF-DFGXFYAUSA-N 1 3 317.477 2.667 20 0 DFADHO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000353940076 428787650 /nfs/dbraw/zinc/78/76/50/428787650.db2.gz ACZQGEYHGIUIIN-MJGOQNOKSA-N 1 3 320.477 2.922 20 0 DFADHO Cc1nc(CO[C@@H]2CC[N@@H+](CC[C@H]3CCCCN3C)C2)cs1 ZINC000374933076 428789551 /nfs/dbraw/zinc/78/95/51/428789551.db2.gz URBAJZCMBOESJF-IAGOWNOFSA-N 1 3 323.506 2.917 20 0 DFADHO Cc1nc(CO[C@@H]2CC[N@H+](CC[C@H]3CCCCN3C)C2)cs1 ZINC000374933076 428789555 /nfs/dbraw/zinc/78/95/55/428789555.db2.gz URBAJZCMBOESJF-IAGOWNOFSA-N 1 3 323.506 2.917 20 0 DFADHO C[C@@H]1C[C@H]1CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000348561780 428789697 /nfs/dbraw/zinc/78/96/97/428789697.db2.gz YAOQXGCLVUDRDA-HOJAQTOUSA-N 1 3 313.489 2.535 20 0 DFADHO C[C@@H]1C[C@H]1CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000348561780 428789701 /nfs/dbraw/zinc/78/97/01/428789701.db2.gz YAOQXGCLVUDRDA-HOJAQTOUSA-N 1 3 313.489 2.535 20 0 DFADHO CC(C)[C@@](C)(NCc1cccc(C[NH+]2CCCCC2)c1)C(N)=O ZINC000411726101 428846507 /nfs/dbraw/zinc/84/65/07/428846507.db2.gz JJVZBTACESBYOC-LJQANCHMSA-N 1 3 317.477 2.662 20 0 DFADHO CCCCNC(=O)CCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411520627 428811763 /nfs/dbraw/zinc/81/17/63/428811763.db2.gz WJUAIHRATUICRI-CVEARBPZSA-N 1 3 309.498 2.535 20 0 DFADHO CCCCNC(=O)CCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411520627 428811767 /nfs/dbraw/zinc/81/17/67/428811767.db2.gz WJUAIHRATUICRI-CVEARBPZSA-N 1 3 309.498 2.535 20 0 DFADHO CCCCNC(=O)CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000411520627 428811771 /nfs/dbraw/zinc/81/17/71/428811771.db2.gz WJUAIHRATUICRI-CVEARBPZSA-N 1 3 309.498 2.535 20 0 DFADHO Cc1cccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CC2)n1 ZINC000375518944 428906656 /nfs/dbraw/zinc/90/66/56/428906656.db2.gz LRRVUFCVQIQSKY-AYHJJNSGSA-N 1 3 314.477 2.574 20 0 DFADHO CC(C)[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)cn1 ZINC000354089856 428858370 /nfs/dbraw/zinc/85/83/70/428858370.db2.gz GLADXRODTDEBGF-SFHVURJKSA-N 1 3 322.472 2.533 20 0 DFADHO CCN(CCC1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000359212691 428867401 /nfs/dbraw/zinc/86/74/01/428867401.db2.gz DZUHXNWSQVRSBL-GOSISDBHSA-N 1 3 315.461 2.504 20 0 DFADHO C[C@@H]1C[C@@H](O)CN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411877066 428876669 /nfs/dbraw/zinc/87/66/69/428876669.db2.gz QFSAQXXRKDBYHR-VQIMIIECSA-N 1 3 302.462 2.875 20 0 DFADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCCN(C)C ZINC000354133336 428878663 /nfs/dbraw/zinc/87/86/63/428878663.db2.gz DBYQGYXNBDJKCK-ROUUACIJSA-N 1 3 320.477 2.922 20 0 DFADHO CN(C)CCOCC[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000354203688 428914426 /nfs/dbraw/zinc/91/44/26/428914426.db2.gz JCMWPSIYVDBNDG-MSOLQXFVSA-N 1 3 320.477 2.538 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C)s1 ZINC000349077835 428914577 /nfs/dbraw/zinc/91/45/77/428914577.db2.gz QHSBMJZRBLWOPX-MRXNPFEDSA-N 1 3 309.523 2.904 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C)s1 ZINC000349077835 428914582 /nfs/dbraw/zinc/91/45/82/428914582.db2.gz QHSBMJZRBLWOPX-MRXNPFEDSA-N 1 3 309.523 2.904 20 0 DFADHO CC(C)c1ncc(CN(C)CCN(C)C2CC[NH+](C)CC2)s1 ZINC000349076693 428915175 /nfs/dbraw/zinc/91/51/75/428915175.db2.gz OZQIYMHPCKWALD-UHFFFAOYSA-N 1 3 324.538 2.724 20 0 DFADHO C[N@H+](Cc1ccc(F)cc1)C1CCN(C2CCOCC2)CC1 ZINC000363453305 428920772 /nfs/dbraw/zinc/92/07/72/428920772.db2.gz UYWZRWCXLRZBQD-UHFFFAOYSA-N 1 3 306.425 2.901 20 0 DFADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN(C2CCOCC2)CC1 ZINC000363453305 428920778 /nfs/dbraw/zinc/92/07/78/428920778.db2.gz UYWZRWCXLRZBQD-UHFFFAOYSA-N 1 3 306.425 2.901 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)NCC2CCCCC2)C[C@H]1C ZINC000354226268 428928653 /nfs/dbraw/zinc/92/86/53/428928653.db2.gz VXZQTQCOKRJJTO-SJLPKXTDSA-N 1 3 323.525 2.878 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)NCC2CCCCC2)C[C@H]1C ZINC000354226268 428928658 /nfs/dbraw/zinc/92/86/58/428928658.db2.gz VXZQTQCOKRJJTO-SJLPKXTDSA-N 1 3 323.525 2.878 20 0 DFADHO c1ccc(C[N@@H+]2CCC3(C2)CCN([C@H]2CCOC2)CC3)cc1 ZINC000375674163 428940618 /nfs/dbraw/zinc/94/06/18/428940618.db2.gz SEVFXFFBWUWXKU-SFHVURJKSA-N 1 3 300.446 2.763 20 0 DFADHO c1ccc(C[N@H+]2CCC3(C2)CCN([C@H]2CCOC2)CC3)cc1 ZINC000375674163 428940622 /nfs/dbraw/zinc/94/06/22/428940622.db2.gz SEVFXFFBWUWXKU-SFHVURJKSA-N 1 3 300.446 2.763 20 0 DFADHO c1nc([C@@H]2CCC[N@@H+](CCN3CCCCC3)C2)n2c1CCCC2 ZINC000375698606 428945129 /nfs/dbraw/zinc/94/51/29/428945129.db2.gz TWRJHNSPEUVUQF-QGZVFWFLSA-N 1 3 316.493 2.885 20 0 DFADHO c1nc([C@@H]2CCC[N@H+](CCN3CCCCC3)C2)n2c1CCCC2 ZINC000375698606 428945134 /nfs/dbraw/zinc/94/51/34/428945134.db2.gz TWRJHNSPEUVUQF-QGZVFWFLSA-N 1 3 316.493 2.885 20 0 DFADHO C[C@@H]1CCC[C@@H](CCN2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000363615490 428956411 /nfs/dbraw/zinc/95/64/11/428956411.db2.gz JLBILFIDQWDEKV-QYZOEREBSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1CCC[C@@H](CCN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000363615490 428956414 /nfs/dbraw/zinc/95/64/14/428956414.db2.gz JLBILFIDQWDEKV-QYZOEREBSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N1[C@H](C)CC[C@@H]1C ZINC000412125082 428960177 /nfs/dbraw/zinc/96/01/77/428960177.db2.gz GLKMXBIGTAKGDK-QKPAOTATSA-N 1 3 311.514 2.730 20 0 DFADHO Cc1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)cc1C ZINC000349321418 428961958 /nfs/dbraw/zinc/96/19/58/428961958.db2.gz XPFBDXKDOLXMBD-SFHVURJKSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)cc1C ZINC000349321418 428961961 /nfs/dbraw/zinc/96/19/61/428961961.db2.gz XPFBDXKDOLXMBD-SFHVURJKSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000349321418 428961966 /nfs/dbraw/zinc/96/19/66/428961966.db2.gz XPFBDXKDOLXMBD-SFHVURJKSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1ccsc1CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349325226 428962368 /nfs/dbraw/zinc/96/23/68/428962368.db2.gz CMLKGTWGZIXZHV-OAHLLOKOSA-N 1 3 307.507 2.657 20 0 DFADHO c1ccc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cncnc2)cc1 ZINC000423541402 428967978 /nfs/dbraw/zinc/96/79/78/428967978.db2.gz KUJPWXZSJDNPAK-JFRXWTBNSA-N 1 3 308.429 2.544 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCCCNC2)cc1OC ZINC000423549678 428972528 /nfs/dbraw/zinc/97/25/28/428972528.db2.gz HYRUPKFWABMTPE-GOEBONIOSA-N 1 3 306.450 2.675 20 0 DFADHO CCO[C@@H]1COCC[C@@H]1[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000354984684 429022358 /nfs/dbraw/zinc/02/23/58/429022358.db2.gz QCOOACCCTZHYQD-WZGPROSRSA-N 1 3 324.509 2.813 20 0 DFADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000423719086 429001905 /nfs/dbraw/zinc/00/19/05/429001905.db2.gz BVOZUSVYNHDJCP-QZTJIDSGSA-N 1 3 317.477 2.662 20 0 DFADHO CN(C)Cc1ccc(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000423719088 429003360 /nfs/dbraw/zinc/00/33/60/429003360.db2.gz BVOZUSVYNHDJCP-ZWKOTPCHSA-N 1 3 317.477 2.662 20 0 DFADHO CN[C@H](CC(C)(C)C)C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423721887 429004172 /nfs/dbraw/zinc/00/41/72/429004172.db2.gz CJNBJTRRKNGYTP-VVLHAWIVSA-N 1 3 323.525 2.874 20 0 DFADHO CN[C@H](CC(C)(C)C)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423721887 429004181 /nfs/dbraw/zinc/00/41/81/429004181.db2.gz CJNBJTRRKNGYTP-VVLHAWIVSA-N 1 3 323.525 2.874 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000423749578 429009551 /nfs/dbraw/zinc/00/95/51/429009551.db2.gz WGGALAITJKWZDK-YJBOKZPZSA-N 1 3 319.493 2.716 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000423749576 429010191 /nfs/dbraw/zinc/01/01/91/429010191.db2.gz WGGALAITJKWZDK-MAUKXSAKSA-N 1 3 319.493 2.716 20 0 DFADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423774179 429013979 /nfs/dbraw/zinc/01/39/79/429013979.db2.gz KSVCYCXRWLMPCY-SJORKVTESA-N 1 3 317.477 2.655 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000423768690 429014050 /nfs/dbraw/zinc/01/40/50/429014050.db2.gz FOSQBEBWUQWCDM-UXLLHSPISA-N 1 3 305.466 2.559 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000423768690 429014053 /nfs/dbraw/zinc/01/40/53/429014053.db2.gz FOSQBEBWUQWCDM-UXLLHSPISA-N 1 3 305.466 2.559 20 0 DFADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423456545 429090653 /nfs/dbraw/zinc/09/06/53/429090653.db2.gz DNGHDFUELXUVJO-HIFRSBDPSA-N 1 3 324.490 2.791 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H](C)O1 ZINC000423463357 429091891 /nfs/dbraw/zinc/09/18/91/429091891.db2.gz FTIQRCQLSYSUOC-ZFOGPFJYSA-N 1 3 306.425 2.674 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@H](C)O1 ZINC000423463357 429091892 /nfs/dbraw/zinc/09/18/92/429091892.db2.gz FTIQRCQLSYSUOC-ZFOGPFJYSA-N 1 3 306.425 2.674 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCc2cc(C)cc(N)c2)[C@@H](C)C1 ZINC000423473375 429092426 /nfs/dbraw/zinc/09/24/26/429092426.db2.gz HCDCIPPECLXVBS-LPHOPBHVSA-N 1 3 319.493 2.804 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCc2cc(C)cc(N)c2)[C@@H](C)C1 ZINC000423473375 429092429 /nfs/dbraw/zinc/09/24/29/429092429.db2.gz HCDCIPPECLXVBS-LPHOPBHVSA-N 1 3 319.493 2.804 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@H]1CCCOC1 ZINC000423474426 429093929 /nfs/dbraw/zinc/09/39/29/429093929.db2.gz OUKGMIJKIPXXHD-QSOKESPWSA-N 1 3 320.452 2.924 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000423478626 429095346 /nfs/dbraw/zinc/09/53/46/429095346.db2.gz UEWNKEOKGWLAPN-JXSMBQFASA-N 1 3 306.425 2.533 20 0 DFADHO COCCc1nc(C)c([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000423281700 429055734 /nfs/dbraw/zinc/05/57/34/429055734.db2.gz UKLLWTNRURPPQK-YUTCNCBUSA-N 1 3 311.495 2.809 20 0 DFADHO CCC(N)(CC)C[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000423287524 429058192 /nfs/dbraw/zinc/05/81/92/429058192.db2.gz MTWPFXLMQLCPMB-KRWDZBQOSA-N 1 3 303.450 2.587 20 0 DFADHO CCC(N)(CC)C[NH2+][C@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000423288610 429058973 /nfs/dbraw/zinc/05/89/73/429058973.db2.gz TYKSAVYLFSMVAE-SJLPKXTDSA-N 1 3 319.493 2.556 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423285676 429058999 /nfs/dbraw/zinc/05/89/99/429058999.db2.gz ZNCRZESJTLLCJC-KNJMJIDISA-N 1 3 313.489 2.899 20 0 DFADHO CCCC[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccccc1OC ZINC000423303974 429059904 /nfs/dbraw/zinc/05/99/04/429059904.db2.gz XVQCFHJQFYRSRL-KGLIPLIRSA-N 1 3 307.438 2.519 20 0 DFADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H](C)CN ZINC000423303808 429059933 /nfs/dbraw/zinc/05/99/33/429059933.db2.gz JOWJHBCIMBIQJQ-VHSXEESVSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@H](Cc1ccc(F)cc1Br)NC[C@@H](C)C[NH3+] ZINC000423303808 429059937 /nfs/dbraw/zinc/05/99/37/429059937.db2.gz JOWJHBCIMBIQJQ-VHSXEESVSA-N 1 3 303.219 2.704 20 0 DFADHO [NH3+]C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)C1CCCC1 ZINC000423935934 429060740 /nfs/dbraw/zinc/06/07/40/429060740.db2.gz BITUCRGWXFFMIK-SFHVURJKSA-N 1 3 315.461 2.530 20 0 DFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000423325507 429065823 /nfs/dbraw/zinc/06/58/23/429065823.db2.gz IVCUVIVIZPUKQS-YJBOKZPZSA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000423325507 429065827 /nfs/dbraw/zinc/06/58/27/429065827.db2.gz IVCUVIVIZPUKQS-YJBOKZPZSA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000423325503 429066314 /nfs/dbraw/zinc/06/63/14/429066314.db2.gz IVCUVIVIZPUKQS-CRAIPNDOSA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000423325503 429066316 /nfs/dbraw/zinc/06/63/16/429066316.db2.gz IVCUVIVIZPUKQS-CRAIPNDOSA-N 1 3 317.477 2.531 20 0 DFADHO C[C@@H]1C[C@@H](NC[C@]2(C)CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000423343596 429069168 /nfs/dbraw/zinc/06/91/68/429069168.db2.gz XACXHDQBMOOVMV-BHIYHBOVSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CCOCC1 ZINC000423483289 429097199 /nfs/dbraw/zinc/09/71/99/429097199.db2.gz YWXLCGCIGQZOFP-DKSSEZFCSA-N 1 3 320.452 2.924 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@]2(C)CCCNC2)c(C)c1OC ZINC000423349251 429070467 /nfs/dbraw/zinc/07/04/67/429070467.db2.gz VFSADICIXXRBBT-AUUYWEPGSA-N 1 3 320.477 2.923 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@]2(C)CCC[NH2+]C2)c(C)c1OC ZINC000423349251 429070471 /nfs/dbraw/zinc/07/04/71/429070471.db2.gz VFSADICIXXRBBT-AUUYWEPGSA-N 1 3 320.477 2.923 20 0 DFADHO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCCOC1 ZINC000423369277 429073830 /nfs/dbraw/zinc/07/38/30/429073830.db2.gz OASCIALIURPWCI-CTNYNGJSSA-N 1 3 324.415 2.815 20 0 DFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H](C)CCN2)c1 ZINC000423370827 429073970 /nfs/dbraw/zinc/07/39/70/429073970.db2.gz UQIATCZPQCPPMU-QAPCUYQASA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H](C)CCN2)c1 ZINC000423370827 429073974 /nfs/dbraw/zinc/07/39/74/429073974.db2.gz UQIATCZPQCPPMU-QAPCUYQASA-N 1 3 317.477 2.531 20 0 DFADHO Cc1c([C@H](C)N[C@H]2CC[C@H](C[NH3+])C2)nnn1-c1ccc(C)cc1 ZINC000423486322 429097262 /nfs/dbraw/zinc/09/72/62/429097262.db2.gz BUGDYNOZKUSXRU-BPUTZDHNSA-N 1 3 313.449 2.662 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@@H](NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000423380195 429076272 /nfs/dbraw/zinc/07/62/72/429076272.db2.gz HARKEFAYVSDYQY-BFYDXBDKSA-N 1 3 304.482 2.814 20 0 DFADHO C[N@H+](CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1)C1CCCC1 ZINC000423383930 429078551 /nfs/dbraw/zinc/07/85/51/429078551.db2.gz PMATYTSTRGNGAS-KRWDZBQOSA-N 1 3 317.477 2.703 20 0 DFADHO C[N@@H+](CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1)C1CCCC1 ZINC000423383930 429078555 /nfs/dbraw/zinc/07/85/55/429078555.db2.gz PMATYTSTRGNGAS-KRWDZBQOSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423397453 429079915 /nfs/dbraw/zinc/07/99/15/429079915.db2.gz SWLHKFYYCHKMRS-HRAATJIYSA-N 1 3 321.468 2.900 20 0 DFADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423384342 429080177 /nfs/dbraw/zinc/08/01/77/429080177.db2.gz KYODCTODYIKHLR-QEORTHHSSA-N 1 3 316.449 2.891 20 0 DFADHO CC1(C)CCCN[C@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000423404505 429080599 /nfs/dbraw/zinc/08/05/99/429080599.db2.gz IUEBBOUBHBPRGN-INIZCTEOSA-N 1 3 309.498 2.537 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)cc1OC ZINC000423407428 429080824 /nfs/dbraw/zinc/08/08/24/429080824.db2.gz VTSKGGZUOKVCIZ-OFQRWUPVSA-N 1 3 306.450 2.531 20 0 DFADHO COc1cc(C)c(C[C@H](C)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000423407428 429080827 /nfs/dbraw/zinc/08/08/27/429080827.db2.gz VTSKGGZUOKVCIZ-OFQRWUPVSA-N 1 3 306.450 2.531 20 0 DFADHO Cc1ccsc1[C@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423400742 429081600 /nfs/dbraw/zinc/08/16/00/429081600.db2.gz XCQRYNASQZIVOT-RYUDHWBXSA-N 1 3 321.412 2.543 20 0 DFADHO C/C=C\COc1ccc(CC[C@H](C)NC2[C@H]3C[NH2+]C[C@@H]23)cc1 ZINC000423418785 429086187 /nfs/dbraw/zinc/08/61/87/429086187.db2.gz AFLMHCCCZKMBJK-AJYFMTEUSA-N 1 3 300.446 2.770 20 0 DFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000434448992 429088718 /nfs/dbraw/zinc/08/87/18/429088718.db2.gz UKDBQSMVCRBRLI-QZTJIDSGSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000434448992 429088723 /nfs/dbraw/zinc/08/87/23/429088723.db2.gz UKDBQSMVCRBRLI-QZTJIDSGSA-N 1 3 319.493 2.527 20 0 DFADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CNCCCO1 ZINC000423492597 429098183 /nfs/dbraw/zinc/09/81/83/429098183.db2.gz NUSYHFBMOBUMLF-RDBSUJKOSA-N 1 3 319.474 2.756 20 0 DFADHO C[C@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)N(C)C1CC1 ZINC000424143229 429099177 /nfs/dbraw/zinc/09/91/77/429099177.db2.gz FNTNQDFFPMTFMQ-ZBFHGGJFSA-N 1 3 309.498 2.663 20 0 DFADHO CCN1CCC[C@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424156195 429100298 /nfs/dbraw/zinc/10/02/98/429100298.db2.gz NZJPULVYHDPODL-IRXDYDNUSA-N 1 3 309.498 2.665 20 0 DFADHO CN1CC[C@H]([NH2+][C@H](CN)C2CCCC2)C[C@@H]1c1ccccc1 ZINC000423506201 429100855 /nfs/dbraw/zinc/10/08/55/429100855.db2.gz OWXZYIGUOVBSPY-IPMKNSEASA-N 1 3 301.478 2.929 20 0 DFADHO CCN1CCC[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424156194 429101135 /nfs/dbraw/zinc/10/11/35/429101135.db2.gz NZJPULVYHDPODL-IAGOWNOFSA-N 1 3 309.498 2.665 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@@H](C[NH3+])C1CCCC1 ZINC000423504500 429101939 /nfs/dbraw/zinc/10/19/39/429101939.db2.gz GSTOFNFBVSLKIB-PBHICJAKSA-N 1 3 303.450 2.535 20 0 DFADHO CN1CC[C@@H]2CCN(C(=O)CC[C@H]([NH3+])CC3CCCCC3)[C@@H]2C1 ZINC000424175343 429103977 /nfs/dbraw/zinc/10/39/77/429103977.db2.gz PRPFQPYAWFDBLO-FGTMMUONSA-N 1 3 321.509 2.617 20 0 DFADHO NC1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C2CC3CC(C2)CC1C3 ZINC000423520606 429106636 /nfs/dbraw/zinc/10/66/36/429106636.db2.gz FFHOZZKRRRZHKQ-NFHVVUEESA-N 1 3 316.489 2.687 20 0 DFADHO [NH3+]C1(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C2CC3CC(C2)CC1C3 ZINC000423520606 429106639 /nfs/dbraw/zinc/10/66/39/429106639.db2.gz FFHOZZKRRRZHKQ-NFHVVUEESA-N 1 3 316.489 2.687 20 0 DFADHO NC1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C2CC3CC(C2)CC1C3 ZINC000423520605 429106725 /nfs/dbraw/zinc/10/67/25/429106725.db2.gz FFHOZZKRRRZHKQ-LGFJZOCGSA-N 1 3 316.489 2.687 20 0 DFADHO [NH3+]C1(CN[C@H]2[C@H]3CCO[C@H]3C23CCC3)C2CC3CC(C2)CC1C3 ZINC000423520605 429106728 /nfs/dbraw/zinc/10/67/28/429106728.db2.gz FFHOZZKRRRZHKQ-LGFJZOCGSA-N 1 3 316.489 2.687 20 0 DFADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CNCCCO2)c2ccccc12 ZINC000423524185 429108064 /nfs/dbraw/zinc/10/80/64/429108064.db2.gz SRORGAGOFCBIPR-LSDHHAIUSA-N 1 3 314.429 2.878 20 0 DFADHO Cc1ccccc1[C@@H](NC[C@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000423524167 429109140 /nfs/dbraw/zinc/10/91/40/429109140.db2.gz SPMGSZICIALQPT-MJGOQNOKSA-N 1 3 301.478 2.720 20 0 DFADHO COC[C@@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)C1CCCC1 ZINC000423532068 429110421 /nfs/dbraw/zinc/11/04/21/429110421.db2.gz UKFFGNHAXLNGCT-XQPWLTOXSA-N 1 3 306.494 2.935 20 0 DFADHO COC[C@@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)C1CCCC1 ZINC000423532068 429110425 /nfs/dbraw/zinc/11/04/25/429110425.db2.gz UKFFGNHAXLNGCT-XQPWLTOXSA-N 1 3 306.494 2.935 20 0 DFADHO CCN(C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)C1CCCCC1 ZINC000424285685 429120109 /nfs/dbraw/zinc/12/01/09/429120109.db2.gz GFWBAIUBFHCZNE-MRXNPFEDSA-N 1 3 321.509 2.632 20 0 DFADHO CC(C)CCC[C@H](C)NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297385 429121540 /nfs/dbraw/zinc/12/15/40/429121540.db2.gz SNIJMYNOXHGBIQ-DLBZAZTESA-N 1 3 323.525 2.781 20 0 DFADHO CCOC(=O)CC(C)(C)CCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376515937 429126486 /nfs/dbraw/zinc/12/64/86/429126486.db2.gz WDJNLQLUJTWFTH-BRWVUGGUSA-N 1 3 322.493 2.772 20 0 DFADHO CCOC(=O)CC(C)(C)CCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376515937 429126489 /nfs/dbraw/zinc/12/64/89/429126489.db2.gz WDJNLQLUJTWFTH-BRWVUGGUSA-N 1 3 322.493 2.772 20 0 DFADHO COc1ccc(-c2ccncc2)cc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000435377701 429136253 /nfs/dbraw/zinc/13/62/53/429136253.db2.gz FJZGXDUCUZQVNI-UHOSZYNNSA-N 1 3 323.440 2.926 20 0 DFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@@]1(C)c1cccs1 ZINC000364055692 429164646 /nfs/dbraw/zinc/16/46/46/429164646.db2.gz JKSNESRBXFLJEX-JJRVBVJISA-N 1 3 320.506 2.624 20 0 DFADHO CC[N@H+](CCC1CCN(Cc2ccnc(N)c2)CC1)CC1CC1 ZINC000488095685 429176158 /nfs/dbraw/zinc/17/61/58/429176158.db2.gz CIGZOKDHMJCUEN-UHFFFAOYSA-N 1 3 316.493 2.998 20 0 DFADHO CC[N@@H+](CCC1CCN(Cc2ccnc(N)c2)CC1)CC1CC1 ZINC000488095685 429176161 /nfs/dbraw/zinc/17/61/61/429176161.db2.gz CIGZOKDHMJCUEN-UHFFFAOYSA-N 1 3 316.493 2.998 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CNCc1c[nH]nc1-c1ccsc1 ZINC000436285346 429193917 /nfs/dbraw/zinc/19/39/17/429193917.db2.gz OCWHPUCFAGZOGP-OAHLLOKOSA-N 1 3 322.478 2.585 20 0 DFADHO C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCCN1C1CC1 ZINC000370083995 275394520 /nfs/dbraw/zinc/39/45/20/275394520.db2.gz SZLTXTYQYBMDBP-IBGZPJMESA-N 1 3 305.510 3.000 20 0 DFADHO CCC[N@@H+]1CC[C@@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495388028 429203908 /nfs/dbraw/zinc/20/39/08/429203908.db2.gz ORDGRXQFFZLREO-AWEZNQCLSA-N 1 3 313.486 2.611 20 0 DFADHO CCC[N@H+]1CC[C@@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495388028 429203910 /nfs/dbraw/zinc/20/39/10/429203910.db2.gz ORDGRXQFFZLREO-AWEZNQCLSA-N 1 3 313.486 2.611 20 0 DFADHO CCCN1CC[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495388028 429203914 /nfs/dbraw/zinc/20/39/14/429203914.db2.gz ORDGRXQFFZLREO-AWEZNQCLSA-N 1 3 313.486 2.611 20 0 DFADHO CC[C@H](C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[NH+](CC)CC ZINC000488888664 429204487 /nfs/dbraw/zinc/20/44/87/429204487.db2.gz IXZCOBKWSQJFQM-DLBZAZTESA-N 1 3 323.456 2.665 20 0 DFADHO COc1cc(CN2CCC[C@@H](CC[NH3+])C2)c(SC)cc1OC ZINC000442931682 429241550 /nfs/dbraw/zinc/24/15/50/429241550.db2.gz WKBFTPZSPWTYBR-ZDUSSCGKSA-N 1 3 324.490 2.987 20 0 DFADHO CCc1cccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000364928763 429268640 /nfs/dbraw/zinc/26/86/40/429268640.db2.gz GIZCYTXVAWGMJG-YLJYHZDGSA-N 1 3 315.505 2.707 20 0 DFADHO CCN1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449090773 429329624 /nfs/dbraw/zinc/32/96/24/429329624.db2.gz ODPAEZWHEDGPMX-AWEZNQCLSA-N 1 3 316.424 2.658 20 0 DFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000449105040 429333543 /nfs/dbraw/zinc/33/35/43/429333543.db2.gz BVLHHYXXUHUVTM-IRXDYDNUSA-N 1 3 319.493 2.738 20 0 DFADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C1 ZINC000449104596 429333769 /nfs/dbraw/zinc/33/37/69/429333769.db2.gz ANHMVKAGAUDFKO-GJYPPUQNSA-N 1 3 307.526 2.959 20 0 DFADHO CC[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CCC1 ZINC000449115745 429337092 /nfs/dbraw/zinc/33/70/92/429337092.db2.gz ILUHGYBHRMCJBX-GOSISDBHSA-N 1 3 317.477 2.646 20 0 DFADHO OC[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCCN1CCCCC1 ZINC000365267192 429291800 /nfs/dbraw/zinc/29/18/00/429291800.db2.gz NMWJYEPLEIIHJE-HKUYNNGSSA-N 1 3 302.462 2.748 20 0 DFADHO CC1CCN(C[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000490883085 429310364 /nfs/dbraw/zinc/31/03/64/429310364.db2.gz HFLPQOHJQRSRBP-FQEVSTJZSA-N 1 3 316.489 2.748 20 0 DFADHO CCOC(=O)c1cc(CNCCC2CC[NH+](CC)CC2)[nH]c1C ZINC000449171724 429348444 /nfs/dbraw/zinc/34/84/44/429348444.db2.gz UGMWZCVHGYMJTD-UHFFFAOYSA-N 1 3 321.465 2.711 20 0 DFADHO Cc1cnc([C@@H](C)CNCc2cc(C3CC[NH2+]CC3)no2)s1 ZINC000425894761 429349278 /nfs/dbraw/zinc/34/92/78/429349278.db2.gz GXRKOFZPNHXXQQ-NSHDSACASA-N 1 3 320.462 2.800 20 0 DFADHO CC(C)C[C@@H]1C[C@H](NCc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425894415 429349429 /nfs/dbraw/zinc/34/94/29/429349429.db2.gz GLIKTEVPGNMMGX-HZPDHXFCSA-N 1 3 321.465 2.825 20 0 DFADHO c1c(CNCC2Cc3ccccc3C2)onc1C1CC[NH2+]CC1 ZINC000425893354 429349442 /nfs/dbraw/zinc/34/94/42/429349442.db2.gz DKBBKXBGIVMVHY-UHFFFAOYSA-N 1 3 311.429 2.646 20 0 DFADHO Cc1nc(CCNCc2cc(C3CC[NH2+]CC3)no2)sc1C ZINC000425895423 429350993 /nfs/dbraw/zinc/35/09/93/429350993.db2.gz ILMQTMOWEXPYHR-UHFFFAOYSA-N 1 3 320.462 2.547 20 0 DFADHO CC(C)(CNCc1cc(C2CC[NH2+]CC2)no1)c1cccnc1 ZINC000425896792 429351854 /nfs/dbraw/zinc/35/18/54/429351854.db2.gz QWZHYASPPANLCP-UHFFFAOYSA-N 1 3 314.433 2.604 20 0 DFADHO CN[C@H](CC(C)(C)C)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000449194708 429355198 /nfs/dbraw/zinc/35/51/98/429355198.db2.gz XXFMLNKBIUKXCQ-GFCCVEGCSA-N 1 3 324.494 2.573 20 0 DFADHO CCCN1CCC([NH2+]CCN(CC)CCC(F)(F)F)CC1 ZINC000426035328 429360611 /nfs/dbraw/zinc/36/06/11/429360611.db2.gz JDQPRLJKDXGFAY-UHFFFAOYSA-N 1 3 309.420 2.725 20 0 DFADHO CCC[NH+]1CCC(NCCN(CC)CCC(F)(F)F)CC1 ZINC000426035328 429360613 /nfs/dbraw/zinc/36/06/13/429360613.db2.gz JDQPRLJKDXGFAY-UHFFFAOYSA-N 1 3 309.420 2.725 20 0 DFADHO Cc1cccc(CC[NH2+]Cc2ccnc(OCCN(C)C)c2)c1 ZINC000449226544 429361905 /nfs/dbraw/zinc/36/19/05/429361905.db2.gz XXJLEJUCKTYELR-UHFFFAOYSA-N 1 3 313.445 2.663 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CCC1 ZINC000449236043 429364196 /nfs/dbraw/zinc/36/41/96/429364196.db2.gz WMAYLBRQAHZXBT-RBUKOAKNSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@@H](C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)CN(C)C ZINC000491596465 429378815 /nfs/dbraw/zinc/37/88/15/429378815.db2.gz KOYZHKOIGDCENH-AWEZNQCLSA-N 1 3 306.450 2.929 20 0 DFADHO CC(C)c1nnc(CCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000426290605 429381638 /nfs/dbraw/zinc/38/16/38/429381638.db2.gz PSDCDAOKWFWRCN-MCIONIFRSA-N 1 3 308.495 2.666 20 0 DFADHO CC(C)c1nnc(CCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000426290605 429381642 /nfs/dbraw/zinc/38/16/42/429381642.db2.gz PSDCDAOKWFWRCN-MCIONIFRSA-N 1 3 308.495 2.666 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N(C)C ZINC000426392603 429387864 /nfs/dbraw/zinc/38/78/64/429387864.db2.gz XPBOIMKHJWUCCD-ROUUACIJSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N(C)C ZINC000426392603 429387869 /nfs/dbraw/zinc/38/78/69/429387869.db2.gz XPBOIMKHJWUCCD-ROUUACIJSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426404169 429388450 /nfs/dbraw/zinc/38/84/50/429388450.db2.gz HMEWRFUHZMULLN-IRXDYDNUSA-N 1 3 323.525 2.878 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426414543 429390572 /nfs/dbraw/zinc/39/05/72/429390572.db2.gz BSAYLPXVVVRKSH-SFHVURJKSA-N 1 3 321.509 2.584 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426414543 429390577 /nfs/dbraw/zinc/39/05/77/429390577.db2.gz BSAYLPXVVVRKSH-SFHVURJKSA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000373392963 275678902 /nfs/dbraw/zinc/67/89/02/275678902.db2.gz KNAWYTMPEMHQNM-FGTMMUONSA-N 1 3 307.526 2.959 20 0 DFADHO CN1CCC(CC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000366254896 429442426 /nfs/dbraw/zinc/44/24/26/429442426.db2.gz IYQWMHXIFOQKED-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CCC(CC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000366254896 429442429 /nfs/dbraw/zinc/44/24/29/429442429.db2.gz IYQWMHXIFOQKED-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO CCc1oc(CNC(C)(C)CCC[NH+](C)C)cc1C(=O)OC ZINC000449529738 429445960 /nfs/dbraw/zinc/44/59/60/429445960.db2.gz ZLHMRSFHZIWMIZ-UHFFFAOYSA-N 1 3 310.438 2.839 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(Br)cc1)[C@@H]1CCCNC1 ZINC000519138329 429448514 /nfs/dbraw/zinc/44/85/14/429448514.db2.gz WJOMMJIMABZRFL-GXTWGEPZSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H](NCCc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000519138329 429448516 /nfs/dbraw/zinc/44/85/16/429448516.db2.gz WJOMMJIMABZRFL-GXTWGEPZSA-N 1 3 311.267 2.969 20 0 DFADHO CN1CC[C@H](C[NH2+]Cc2cnc3cnccn23)[C@@H]1c1ccccc1 ZINC000366449780 429455348 /nfs/dbraw/zinc/45/53/48/429455348.db2.gz NPSZDKUKDGNPNM-APWZRJJASA-N 1 3 321.428 2.512 20 0 DFADHO CC(C)C[C@H](CNC(=O)CNC1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000519541804 429463205 /nfs/dbraw/zinc/46/32/05/429463205.db2.gz MRWNGSSVQWIZFI-CRAIPNDOSA-N 1 3 317.477 2.620 20 0 DFADHO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000449642870 429468687 /nfs/dbraw/zinc/46/86/87/429468687.db2.gz HFTJPJXKFOHFDX-YJBOKZPZSA-N 1 3 315.461 2.530 20 0 DFADHO C[N@H+](CCCCNC(=O)[C@@H]1CCCCN1C1CCCC1)C1CC1 ZINC000457163118 429415902 /nfs/dbraw/zinc/41/59/02/429415902.db2.gz GOGRBGKOJLETTP-SFHVURJKSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@@H+](CCCCNC(=O)[C@@H]1CCCCN1C1CCCC1)C1CC1 ZINC000457163118 429415906 /nfs/dbraw/zinc/41/59/06/429415906.db2.gz GOGRBGKOJLETTP-SFHVURJKSA-N 1 3 321.509 2.774 20 0 DFADHO CO[C@@H]1COCC[C@@H]1C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449449900 429419841 /nfs/dbraw/zinc/41/98/41/429419841.db2.gz AERJTXJTYRWQJX-QFHJOOASSA-N 1 3 324.509 2.671 20 0 DFADHO CO[C@@H]1COCC[C@@H]1CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449449900 429419845 /nfs/dbraw/zinc/41/98/45/429419845.db2.gz AERJTXJTYRWQJX-QFHJOOASSA-N 1 3 324.509 2.671 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1C=CCCC1 ZINC000427100068 429430457 /nfs/dbraw/zinc/43/04/57/429430457.db2.gz KOPYWINEYREPPV-ZWKOTPCHSA-N 1 3 321.509 2.607 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1C=CCCC1 ZINC000427100068 429430463 /nfs/dbraw/zinc/43/04/63/429430463.db2.gz KOPYWINEYREPPV-ZWKOTPCHSA-N 1 3 321.509 2.607 20 0 DFADHO COc1ccc(C[C@H](C)CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000427119741 429433936 /nfs/dbraw/zinc/43/39/36/429433936.db2.gz MFWSPELGOHPDNN-LXZKKBNFSA-N 1 3 306.425 2.697 20 0 DFADHO C[N@H+](C[C@H](O)CN[C@H]1C[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000520799773 429528701 /nfs/dbraw/zinc/52/87/01/429528701.db2.gz VEXTVTXQTORRIU-FRFSOERESA-N 1 3 308.853 2.631 20 0 DFADHO C[N@@H+](C[C@H](O)CN[C@H]1C[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000520799773 429528704 /nfs/dbraw/zinc/52/87/04/429528704.db2.gz VEXTVTXQTORRIU-FRFSOERESA-N 1 3 308.853 2.631 20 0 DFADHO CC1CCN(c2ccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cn2)CC1 ZINC000519613772 429472779 /nfs/dbraw/zinc/47/27/79/429472779.db2.gz NDTGYGSAISFFPW-IAGOWNOFSA-N 1 3 302.466 2.677 20 0 DFADHO C[NH+](C)C1CCC(NCc2nccn2Cc2ccccc2)CC1 ZINC000428232412 429501494 /nfs/dbraw/zinc/50/14/94/429501494.db2.gz ZAUONFFQUZRZTF-UHFFFAOYSA-N 1 3 312.461 2.894 20 0 DFADHO CCCCNC(=[NH2+])NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000366817871 429519815 /nfs/dbraw/zinc/51/98/15/429519815.db2.gz IDMPEUNMHGFQJP-GOSISDBHSA-N 1 3 302.466 2.813 20 0 DFADHO CC[C@@H](CC(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000449821698 429520333 /nfs/dbraw/zinc/52/03/33/429520333.db2.gz SDTUBSQQVFDPFB-INIZCTEOSA-N 1 3 323.525 2.734 20 0 DFADHO COc1cc(CN(C)Cc2ccc3c(c2)C[NH2+]CC3)ccc1O ZINC000521447375 429553633 /nfs/dbraw/zinc/55/36/33/429553633.db2.gz XVXBPACHTCQMPA-UHFFFAOYSA-N 1 3 312.413 2.679 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)CN(C)C ZINC000521624739 429558275 /nfs/dbraw/zinc/55/82/75/429558275.db2.gz IVZOEVWHIRPRMS-IEBWSBKVSA-N 1 3 315.505 2.971 20 0 DFADHO CCC[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1)N(C)C ZINC000367052059 429565128 /nfs/dbraw/zinc/56/51/28/429565128.db2.gz HMFUUCHJPZBINA-IIAWOOMASA-N 1 3 323.506 2.587 20 0 DFADHO CCC[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)N(C)C ZINC000367052059 429565131 /nfs/dbraw/zinc/56/51/31/429565131.db2.gz HMFUUCHJPZBINA-IIAWOOMASA-N 1 3 323.506 2.587 20 0 DFADHO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000377628942 275913315 /nfs/dbraw/zinc/91/33/15/275913315.db2.gz OYTILZSQKMYQOK-ICSRJNTNSA-N 1 3 319.537 2.938 20 0 DFADHO CN(CCCO)C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450404195 429619199 /nfs/dbraw/zinc/61/91/99/429619199.db2.gz CIZFDEPJISFWED-AWEZNQCLSA-N 1 3 304.425 2.591 20 0 DFADHO CC1=C[C@@H](C)C[C@@H](C[NH+]2CCC(CN3CCN(C)CC3)CC2)C1 ZINC000368219250 275918668 /nfs/dbraw/zinc/91/86/68/275918668.db2.gz AUVWXULWVMCVRC-YLJYHZDGSA-N 1 3 319.537 2.938 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000450427808 429624038 /nfs/dbraw/zinc/62/40/38/429624038.db2.gz GJBREPLAHYBAQG-ZIFCJYIRSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000450427808 429624042 /nfs/dbraw/zinc/62/40/42/429624042.db2.gz GJBREPLAHYBAQG-ZIFCJYIRSA-N 1 3 302.462 2.569 20 0 DFADHO CN(CCN1CC[C@@H](C[NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000450438276 429625331 /nfs/dbraw/zinc/62/53/31/429625331.db2.gz LTAGQIHZKXABAQ-FQEVSTJZSA-N 1 3 315.505 2.926 20 0 DFADHO CCc1ccc2nccc(N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)c2c1 ZINC000450452762 429629700 /nfs/dbraw/zinc/62/97/00/429629700.db2.gz ICFLXICAEWGFFC-GJZGRUSLSA-N 1 3 313.445 2.689 20 0 DFADHO CCc1ccc2nccc(N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)c2c1 ZINC000450452762 429629704 /nfs/dbraw/zinc/62/97/04/429629704.db2.gz ICFLXICAEWGFFC-GJZGRUSLSA-N 1 3 313.445 2.689 20 0 DFADHO Cc1nccn1C[C@H]1CCCN1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000450471391 429635202 /nfs/dbraw/zinc/63/52/02/429635202.db2.gz JYLUMRZCSAKNLZ-MSOLQXFVSA-N 1 3 304.482 2.919 20 0 DFADHO Cc1nccn1C[C@H]1CCCN1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000450471391 429635204 /nfs/dbraw/zinc/63/52/04/429635204.db2.gz JYLUMRZCSAKNLZ-MSOLQXFVSA-N 1 3 304.482 2.919 20 0 DFADHO CCC[C@@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)N(C)C ZINC000367183550 429593228 /nfs/dbraw/zinc/59/32/28/429593228.db2.gz GRMMBJIZJAUOBO-SFHVURJKSA-N 1 3 323.525 2.687 20 0 DFADHO OC[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1c1ccc(F)cc1 ZINC000429407611 429607096 /nfs/dbraw/zinc/60/70/96/429607096.db2.gz JXFMRGPSIDMENA-NCXUSEDFSA-N 1 3 318.436 2.508 20 0 DFADHO OC[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1c1ccc(F)cc1 ZINC000429407611 429607101 /nfs/dbraw/zinc/60/71/01/429607101.db2.gz JXFMRGPSIDMENA-NCXUSEDFSA-N 1 3 318.436 2.508 20 0 DFADHO CC(C)[NH+]1CCC(NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000429432745 429608132 /nfs/dbraw/zinc/60/81/32/429608132.db2.gz VGHLTODIGPYZMR-MOPGFXCFSA-N 1 3 320.452 2.754 20 0 DFADHO OC[C@H](CC(F)F)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000429453803 429609125 /nfs/dbraw/zinc/60/91/25/429609125.db2.gz RWLPWJIGNWXAQO-YYIAUSFCSA-N 1 3 324.415 2.503 20 0 DFADHO OC[C@H](CC(F)F)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000429453803 429609129 /nfs/dbraw/zinc/60/91/29/429609129.db2.gz RWLPWJIGNWXAQO-YYIAUSFCSA-N 1 3 324.415 2.503 20 0 DFADHO OC[C@H](CC(F)F)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000429453803 429609135 /nfs/dbraw/zinc/60/91/35/429609135.db2.gz RWLPWJIGNWXAQO-YYIAUSFCSA-N 1 3 324.415 2.503 20 0 DFADHO C[C@@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@H](N)c1ccccc1 ZINC000429512571 429612289 /nfs/dbraw/zinc/61/22/89/429612289.db2.gz ZGNNNIHJZQEBDC-GLJUWKHASA-N 1 3 311.429 2.659 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450373326 429612720 /nfs/dbraw/zinc/61/27/20/429612720.db2.gz TXIQXSJZDGWWCK-KBPBESRZSA-N 1 3 304.425 2.589 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000367518459 429664600 /nfs/dbraw/zinc/66/46/00/429664600.db2.gz IIVXYDRUDIYQTP-UFYCRDLUSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000367518459 429664605 /nfs/dbraw/zinc/66/46/05/429664605.db2.gz IIVXYDRUDIYQTP-UFYCRDLUSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000367518459 429664612 /nfs/dbraw/zinc/66/46/12/429664612.db2.gz IIVXYDRUDIYQTP-UFYCRDLUSA-N 1 3 324.472 2.894 20 0 DFADHO Cc1cnn(C)c1C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000367540061 429667298 /nfs/dbraw/zinc/66/72/98/429667298.db2.gz HMYCPABNYZKSPY-GOSISDBHSA-N 1 3 312.461 2.730 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)CC[C@@H]2CCC[NH2+]2)c1 ZINC000262566114 276110611 /nfs/dbraw/zinc/11/06/11/276110611.db2.gz WQIUDWLMGZEAKW-INIZCTEOSA-N 1 3 303.450 2.999 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2C[C@H](C)c3ccccc32)CC1 ZINC000289153776 276194986 /nfs/dbraw/zinc/19/49/86/276194986.db2.gz GOFVIPLCVRJKTF-QFBILLFUSA-N 1 3 301.478 2.852 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)cc3F)C2)[C@@H](C)C1 ZINC000366220836 276231498 /nfs/dbraw/zinc/23/14/98/276231498.db2.gz VZBJFZHYFFERMA-QRTARXTBSA-N 1 3 323.431 2.863 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)cc3F)C2)[C@@H](C)C1 ZINC000366220836 276231499 /nfs/dbraw/zinc/23/14/99/276231499.db2.gz VZBJFZHYFFERMA-QRTARXTBSA-N 1 3 323.431 2.863 20 0 DFADHO CC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000367621288 429686908 /nfs/dbraw/zinc/68/69/08/429686908.db2.gz ZVOCVNKCODMVOI-KURKYZTESA-N 1 3 301.434 2.607 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCCN(CCCc2nc(-c3ccccc3)no2)C1 ZINC000430583781 429696581 /nfs/dbraw/zinc/69/65/81/429696581.db2.gz TUJBPACJEXHYON-GOEBONIOSA-N 1 3 314.433 2.728 20 0 DFADHO Cc1cccn2c(CN3CC[C@H](C4CC[NH+](C)CC4)C3)cnc12 ZINC000367690008 429701117 /nfs/dbraw/zinc/70/11/17/429701117.db2.gz SVCRKISKBUCPCN-KRWDZBQOSA-N 1 3 312.461 2.806 20 0 DFADHO N[C@H]1CC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430651202 429705921 /nfs/dbraw/zinc/70/59/21/429705921.db2.gz VWDNRRPUXGHBSA-LBPRGKRZSA-N 1 3 302.340 2.897 20 0 DFADHO N[C@H]1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430651202 429705926 /nfs/dbraw/zinc/70/59/26/429705926.db2.gz VWDNRRPUXGHBSA-LBPRGKRZSA-N 1 3 302.340 2.897 20 0 DFADHO C[C@@H]1CN(CCC(=O)Nc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000430964947 429731633 /nfs/dbraw/zinc/73/16/33/429731633.db2.gz JUTKUYVGHXVAJG-RHSMWYFYSA-N 1 3 311.429 2.838 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000431062425 429737426 /nfs/dbraw/zinc/73/74/26/429737426.db2.gz QCTLHQKCCFCFNS-NVXWUHKLSA-N 1 3 315.461 2.600 20 0 DFADHO CCC[C@H](N)C(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000431034881 429738196 /nfs/dbraw/zinc/73/81/96/429738196.db2.gz PGJYWKZIXBKHMJ-NJAFHUGGSA-N 1 3 317.477 2.798 20 0 DFADHO CCC[C@H](N)C(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000431034881 429738202 /nfs/dbraw/zinc/73/82/02/429738202.db2.gz PGJYWKZIXBKHMJ-NJAFHUGGSA-N 1 3 317.477 2.798 20 0 DFADHO CCCN(CCC(=O)NCC1CCCCC1)C1CC[NH2+]CC1 ZINC000431074601 429738881 /nfs/dbraw/zinc/73/88/81/429738881.db2.gz WGDVMKXQIOBKHX-UHFFFAOYSA-N 1 3 309.498 2.537 20 0 DFADHO Cc1nc2c(n1[C@H]1CC[N@@H+](CC[C@H]3CCCN3C)C1)CCCC2 ZINC000432078723 429798901 /nfs/dbraw/zinc/79/89/01/429798901.db2.gz RHPKPFITLBIMMJ-SJORKVTESA-N 1 3 316.493 2.801 20 0 DFADHO Cc1nc2c(n1[C@H]1CC[N@H+](CC[C@H]3CCCN3C)C1)CCCC2 ZINC000432078723 429798903 /nfs/dbraw/zinc/79/89/03/429798903.db2.gz RHPKPFITLBIMMJ-SJORKVTESA-N 1 3 316.493 2.801 20 0 DFADHO Cc1nc2c(n1[C@H]1CCN(CC[C@H]3CCC[N@H+]3C)C1)CCCC2 ZINC000432078723 429798907 /nfs/dbraw/zinc/79/89/07/429798907.db2.gz RHPKPFITLBIMMJ-SJORKVTESA-N 1 3 316.493 2.801 20 0 DFADHO Cc1nc2c(n1[C@H]1CCN(CC[C@H]3CCC[N@@H+]3C)C1)CCCC2 ZINC000432078723 429798908 /nfs/dbraw/zinc/79/89/08/429798908.db2.gz RHPKPFITLBIMMJ-SJORKVTESA-N 1 3 316.493 2.801 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432093047 429800117 /nfs/dbraw/zinc/80/01/17/429800117.db2.gz ZYHGJNSRHMPBLJ-IRXDYDNUSA-N 1 3 316.493 2.883 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432093047 429800119 /nfs/dbraw/zinc/80/01/19/429800119.db2.gz ZYHGJNSRHMPBLJ-IRXDYDNUSA-N 1 3 316.493 2.883 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432093047 429800123 /nfs/dbraw/zinc/80/01/23/429800123.db2.gz ZYHGJNSRHMPBLJ-IRXDYDNUSA-N 1 3 316.493 2.883 20 0 DFADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432093047 429800125 /nfs/dbraw/zinc/80/01/25/429800125.db2.gz ZYHGJNSRHMPBLJ-IRXDYDNUSA-N 1 3 316.493 2.883 20 0 DFADHO CCC1([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)CCCC1 ZINC000451270345 429801259 /nfs/dbraw/zinc/80/12/59/429801259.db2.gz BXNRHZVMWCIYNH-KRWDZBQOSA-N 1 3 317.477 2.718 20 0 DFADHO FC1(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000527520579 429756890 /nfs/dbraw/zinc/75/68/90/429756890.db2.gz QKFRSOJUHNUSBT-UHFFFAOYSA-N 1 3 319.468 2.676 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000431727621 429779619 /nfs/dbraw/zinc/77/96/19/429779619.db2.gz LDHKCPFDDJSEJT-QGZVFWFLSA-N 1 3 323.525 2.831 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000431727621 429779623 /nfs/dbraw/zinc/77/96/23/429779623.db2.gz LDHKCPFDDJSEJT-QGZVFWFLSA-N 1 3 323.525 2.831 20 0 DFADHO C[C@@H]1C[N@H+](CCCNCc2ccc3cc[nH]c3c2)CCCO1 ZINC000527700539 429782066 /nfs/dbraw/zinc/78/20/66/429782066.db2.gz MCRMPTRDASZKGJ-OAHLLOKOSA-N 1 3 301.434 2.758 20 0 DFADHO C[C@@H]1C[N@@H+](CCCNCc2ccc3cc[nH]c3c2)CCCO1 ZINC000527700539 429782067 /nfs/dbraw/zinc/78/20/67/429782067.db2.gz MCRMPTRDASZKGJ-OAHLLOKOSA-N 1 3 301.434 2.758 20 0 DFADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000431788941 429782438 /nfs/dbraw/zinc/78/24/38/429782438.db2.gz OVLNNLVMCQZNCX-RDJZCZTQSA-N 1 3 309.498 2.630 20 0 DFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000431788941 429782440 /nfs/dbraw/zinc/78/24/40/429782440.db2.gz OVLNNLVMCQZNCX-RDJZCZTQSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H](CN1CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431912752 429789836 /nfs/dbraw/zinc/78/98/36/429789836.db2.gz JXEYIECEAQADRK-SJLPKXTDSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@H](CN1CCCCC1)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431912752 429789838 /nfs/dbraw/zinc/78/98/38/429789838.db2.gz JXEYIECEAQADRK-SJLPKXTDSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H](CN1CCCCC1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431914002 429790487 /nfs/dbraw/zinc/79/04/87/429790487.db2.gz PBPKFIOVKPENNX-WMZOPIPTSA-N 1 3 317.477 2.670 20 0 DFADHO CC(C)[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccnc1 ZINC000432413388 429822252 /nfs/dbraw/zinc/82/22/52/429822252.db2.gz LYTLKVSSSTVVQD-WMZOPIPTSA-N 1 3 305.466 2.869 20 0 DFADHO CC(C)[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccnc1 ZINC000432413388 429822255 /nfs/dbraw/zinc/82/22/55/429822255.db2.gz LYTLKVSSSTVVQD-WMZOPIPTSA-N 1 3 305.466 2.869 20 0 DFADHO OC1CC(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000432427588 429823975 /nfs/dbraw/zinc/82/39/75/429823975.db2.gz ZRIKDVOSAJIWDT-DRRJLQACSA-N 1 3 314.473 2.648 20 0 DFADHO C[N@H+](C[C@@H](O)CN1CC[C@@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745438 429911982 /nfs/dbraw/zinc/91/19/82/429911982.db2.gz PVOUMRDQRJMGDI-MSOLQXFVSA-N 1 3 320.452 2.849 20 0 DFADHO C[N@@H+](C[C@@H](O)CN1CC[C@@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745438 429911983 /nfs/dbraw/zinc/91/19/83/429911983.db2.gz PVOUMRDQRJMGDI-MSOLQXFVSA-N 1 3 320.452 2.849 20 0 DFADHO CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C(C)(C)C ZINC000639748356 429967921 /nfs/dbraw/zinc/96/79/21/429967921.db2.gz ZNGVYLTVVOLSKD-MOPGFXCFSA-N 1 3 315.505 2.923 20 0 DFADHO CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C(C)(C)C ZINC000639748356 429967923 /nfs/dbraw/zinc/96/79/23/429967923.db2.gz ZNGVYLTVVOLSKD-MOPGFXCFSA-N 1 3 315.505 2.923 20 0 DFADHO CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C(C)(C)C ZINC000639748362 429968870 /nfs/dbraw/zinc/96/88/70/429968870.db2.gz ZNGVYLTVVOLSKD-OALUTQOASA-N 1 3 315.505 2.923 20 0 DFADHO CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C(C)(C)C ZINC000639748362 429968873 /nfs/dbraw/zinc/96/88/73/429968873.db2.gz ZNGVYLTVVOLSKD-OALUTQOASA-N 1 3 315.505 2.923 20 0 DFADHO CC(C)N1CC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000558419612 429971635 /nfs/dbraw/zinc/97/16/35/429971635.db2.gz SGMLBTWPKHDWGJ-KRWDZBQOSA-N 1 3 302.462 2.874 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639791222 429982153 /nfs/dbraw/zinc/98/21/53/429982153.db2.gz JHNZZGIGHOTIHW-DLBZAZTESA-N 1 3 310.445 2.903 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639791222 429982157 /nfs/dbraw/zinc/98/21/57/429982157.db2.gz JHNZZGIGHOTIHW-DLBZAZTESA-N 1 3 310.445 2.903 20 0 DFADHO COc1ccc([C@@H](CN)C[NH+]2CCC(OC(C)C)CC2)cc1 ZINC000557336947 429937419 /nfs/dbraw/zinc/93/74/19/429937419.db2.gz XIXGUNBFWYBXMC-INIZCTEOSA-N 1 3 306.450 2.627 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](CCN2CCCN(c3ccncc3)CC2)C1 ZINC000639684153 429945792 /nfs/dbraw/zinc/94/57/92/429945792.db2.gz RYOBGHIDZOBCSC-ROUUACIJSA-N 1 3 316.493 2.572 20 0 DFADHO C/C(=C\c1ccccc1)C[N@@H+](C)CCCN(C)CCN(C)C ZINC000561981760 430104860 /nfs/dbraw/zinc/10/48/60/430104860.db2.gz FWYIEDUKJPUNGQ-FBMGVBCBSA-N 1 3 303.494 2.905 20 0 DFADHO C/C(=C\c1ccccc1)C[N@H+](C)CCCN(C)CCN(C)C ZINC000561981760 430104863 /nfs/dbraw/zinc/10/48/63/430104863.db2.gz FWYIEDUKJPUNGQ-FBMGVBCBSA-N 1 3 303.494 2.905 20 0 DFADHO Cc1nn(C)c2sc([C@@H](C)NC[C@@H]3CCC[N@H+](C)C3)cc12 ZINC000562042114 430106369 /nfs/dbraw/zinc/10/63/69/430106369.db2.gz UKRYOXXERPAUAH-OLZOCXBDSA-N 1 3 306.479 2.936 20 0 DFADHO Cc1nn(C)c2sc([C@@H](C)NC[C@@H]3CCC[N@@H+](C)C3)cc12 ZINC000562042114 430106374 /nfs/dbraw/zinc/10/63/74/430106374.db2.gz UKRYOXXERPAUAH-OLZOCXBDSA-N 1 3 306.479 2.936 20 0 DFADHO COc1ccc(C)cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241018 430108126 /nfs/dbraw/zinc/10/81/26/430108126.db2.gz OYYGOFSAMPGWLL-GOSISDBHSA-N 1 3 318.461 2.594 20 0 DFADHO CN(C)CCOc1ccccc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634679347 430074184 /nfs/dbraw/zinc/07/41/84/430074184.db2.gz RMCBUCRODRKQHK-INIZCTEOSA-N 1 3 306.450 2.674 20 0 DFADHO CC1(C)C[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)CCO1 ZINC000634681697 430076080 /nfs/dbraw/zinc/07/60/80/430076080.db2.gz VPUKJUXQLVMHRG-MRXNPFEDSA-N 1 3 303.450 2.845 20 0 DFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000562657784 430160521 /nfs/dbraw/zinc/16/05/21/430160521.db2.gz GZDCSTXFOKTTQP-FUHWJXTLSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000562657784 430160523 /nfs/dbraw/zinc/16/05/23/430160523.db2.gz GZDCSTXFOKTTQP-FUHWJXTLSA-N 1 3 321.509 2.630 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@]2(C)C2CCCCC2)CC1 ZINC000640221197 430119231 /nfs/dbraw/zinc/11/92/31/430119231.db2.gz UHYWPZLSKNDDNI-LJQANCHMSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@H+](CCO)C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000637832341 430142479 /nfs/dbraw/zinc/14/24/79/430142479.db2.gz HBAYGAPWFXXBLU-LJQANCHMSA-N 1 3 304.478 2.849 20 0 DFADHO C[N@@H+](CCO)C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000637832341 430142484 /nfs/dbraw/zinc/14/24/84/430142484.db2.gz HBAYGAPWFXXBLU-LJQANCHMSA-N 1 3 304.478 2.849 20 0 DFADHO CN1CCC[N@H+](CCCN[C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269835996 277051412 /nfs/dbraw/zinc/05/14/12/277051412.db2.gz ASDPMUZBFMAERY-KRWDZBQOSA-N 1 3 323.431 2.569 20 0 DFADHO CN1CCC[N@@H+](CCCN[C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269835996 277051415 /nfs/dbraw/zinc/05/14/15/277051415.db2.gz ASDPMUZBFMAERY-KRWDZBQOSA-N 1 3 323.431 2.569 20 0 DFADHO CC1CCN([C@H](CNCC23CC(C2)C[NH2+]3)c2cccs2)CC1 ZINC000634995708 430186861 /nfs/dbraw/zinc/18/68/61/430186861.db2.gz MUZXGBGSFWNJKX-UPTPFMHGSA-N 1 3 319.518 2.863 20 0 DFADHO CC1(C)[C@H]([NH2+]Cc2cccc3c2CCNC3)[C@@H]2CCCO[C@@H]21 ZINC000635007602 430194387 /nfs/dbraw/zinc/19/43/87/430194387.db2.gz FEGYWRYDTQDKJR-KSZLIROESA-N 1 3 300.446 2.626 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@H](N)Cc2ccccc2)C12CCC2 ZINC000635007989 430194556 /nfs/dbraw/zinc/19/45/56/430194556.db2.gz QMOBBEKQZBUZPN-OKZBNKHCSA-N 1 3 302.462 2.884 20 0 DFADHO CCO[C@@H]1C[C@H](NCC[C@H]([NH3+])Cc2ccccc2)C12CCC2 ZINC000635007989 430194558 /nfs/dbraw/zinc/19/45/58/430194558.db2.gz QMOBBEKQZBUZPN-OKZBNKHCSA-N 1 3 302.462 2.884 20 0 DFADHO CC1(C)[C@H]([NH2+]CC[C@H](N)Cc2ccccc2)[C@@H]2CCCO[C@@H]21 ZINC000635006884 430194825 /nfs/dbraw/zinc/19/48/25/430194825.db2.gz NCAXNFCYAILWTF-FJIDUMEYSA-N 1 3 302.462 2.740 20 0 DFADHO Cc1c([C@H](C)N[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccccc1 ZINC000635007532 430193377 /nfs/dbraw/zinc/19/33/77/430193377.db2.gz QYOZSWFFWCLWBU-BPUTZDHNSA-N 1 3 313.449 2.744 20 0 DFADHO c1ccc2c(c1)NCCC[C@@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007073 430193732 /nfs/dbraw/zinc/19/37/32/430193732.db2.gz DQADTBQVRWGFAY-SFHVURJKSA-N 1 3 323.444 2.850 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000367601822 277172047 /nfs/dbraw/zinc/17/20/47/277172047.db2.gz PRPQCXNFNJCABU-QZWWFDLISA-N 1 3 308.853 2.836 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H](O)c2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000367601822 277172048 /nfs/dbraw/zinc/17/20/48/277172048.db2.gz PRPQCXNFNJCABU-QZWWFDLISA-N 1 3 308.853 2.836 20 0 DFADHO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1-n1ccnn1 ZINC000635012370 430195609 /nfs/dbraw/zinc/19/56/09/430195609.db2.gz TXKZUJRPPRLWOX-HUUCEWRRSA-N 1 3 313.449 2.696 20 0 DFADHO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(-n2ccnn2)c1 ZINC000635011800 430195784 /nfs/dbraw/zinc/19/57/84/430195784.db2.gz PFJJEUDCXMWERJ-GDBMZVCRSA-N 1 3 313.449 2.696 20 0 DFADHO Cc1cc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(C)o1 ZINC000635008353 430196107 /nfs/dbraw/zinc/19/61/07/430196107.db2.gz JFTODLITHHQCCU-CYBMUJFWSA-N 1 3 300.406 2.874 20 0 DFADHO COc1ccsc1[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008448 430196527 /nfs/dbraw/zinc/19/65/27/430196527.db2.gz JWMLKYHCIUVDHO-GFCCVEGCSA-N 1 3 318.446 2.734 20 0 DFADHO CC1(C)CNCC[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000635011244 430196763 /nfs/dbraw/zinc/19/67/63/430196763.db2.gz MVMRHRHLHMZKFG-MBHSVXNSSA-N 1 3 308.388 2.590 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@H]1CCCNC1 ZINC000635013781 430198279 /nfs/dbraw/zinc/19/82/79/430198279.db2.gz VRRNARPRVMLPGG-VKZRIFJHSA-N 1 3 306.425 2.881 20 0 DFADHO COC[C@@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C1CC1 ZINC000090717392 277248971 /nfs/dbraw/zinc/24/89/71/277248971.db2.gz MEMXKUMRWSVJPH-RDTXWAMCSA-N 1 3 306.450 2.703 20 0 DFADHO Cn1cc(-c2ccc(CN[C@H]3CCCC[C@H]3C[NH3+])s2)cn1 ZINC000581595444 430223020 /nfs/dbraw/zinc/22/30/20/430223020.db2.gz AZUYDKQQLJHSJO-WFASDCNBSA-N 1 3 304.463 2.756 20 0 DFADHO Cn1c(CN2CCC(OCC[NH+](C)C)CC2)cc2ccccc21 ZINC000638061676 430223157 /nfs/dbraw/zinc/22/31/57/430223157.db2.gz LAEIPODEXCTPCY-UHFFFAOYSA-N 1 3 315.461 2.721 20 0 DFADHO CCN[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000638064381 430224676 /nfs/dbraw/zinc/22/46/76/430224676.db2.gz SUKINPZQDORATK-LSDHHAIUSA-N 1 3 303.450 2.855 20 0 DFADHO CCN[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000638064381 430224680 /nfs/dbraw/zinc/22/46/80/430224680.db2.gz SUKINPZQDORATK-LSDHHAIUSA-N 1 3 303.450 2.855 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000125320504 277398953 /nfs/dbraw/zinc/39/89/53/277398953.db2.gz RCZXYQHPGJHMHH-SFHVURJKSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000125320504 277398954 /nfs/dbraw/zinc/39/89/54/277398954.db2.gz RCZXYQHPGJHMHH-SFHVURJKSA-N 1 3 317.477 2.598 20 0 DFADHO COC(=O)CC1(NCc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000581491625 430214100 /nfs/dbraw/zinc/21/41/00/430214100.db2.gz BIHKLFPXTJKUHZ-UHFFFAOYSA-N 1 3 316.445 2.858 20 0 DFADHO O=c1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)c[nH]1 ZINC000638129843 430245835 /nfs/dbraw/zinc/24/58/35/430245835.db2.gz CKXUJWOMBGNNBC-UHFFFAOYSA-N 1 3 303.450 2.875 20 0 DFADHO c1ccc(-c2ncc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000566230255 430250287 /nfs/dbraw/zinc/25/02/87/430250287.db2.gz VTANGSAQAMFFHJ-OALUTQOASA-N 1 3 322.456 2.965 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635323717 430255259 /nfs/dbraw/zinc/25/52/59/430255259.db2.gz AVQBCCSJEIJFOC-SJLPKXTDSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635323717 430255260 /nfs/dbraw/zinc/25/52/60/430255260.db2.gz AVQBCCSJEIJFOC-SJLPKXTDSA-N 1 3 321.509 2.774 20 0 DFADHO CC(C)CC[C@H](N)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000638109869 430237118 /nfs/dbraw/zinc/23/71/18/430237118.db2.gz XAOSJNPMWFIADX-KRWDZBQOSA-N 1 3 321.465 2.719 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CC1(F)F ZINC000638272788 430290438 /nfs/dbraw/zinc/29/04/38/430290438.db2.gz CHKYJUVOAYIMCL-CXAGYDPISA-N 1 3 324.415 2.777 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC[C@H](OC)[C@H]1CCOC1 ZINC000638313366 430302367 /nfs/dbraw/zinc/30/23/67/430302367.db2.gz UUEPYIIFTBHKHK-OALUTQOASA-N 1 3 320.477 2.670 20 0 DFADHO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(CNC2CCCCC2)nn1 ZINC000641170022 430350568 /nfs/dbraw/zinc/35/05/68/430350568.db2.gz SWXNRAVFQBLEKU-SFHVURJKSA-N 1 3 319.497 2.963 20 0 DFADHO CC(C)[N@H+]1CCCC[C@H]1Cn1cc(CNC2CCCCC2)nn1 ZINC000641170022 430350573 /nfs/dbraw/zinc/35/05/73/430350573.db2.gz SWXNRAVFQBLEKU-SFHVURJKSA-N 1 3 319.497 2.963 20 0 DFADHO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(CNC2CCCCC2)nn1 ZINC000641170021 430350796 /nfs/dbraw/zinc/35/07/96/430350796.db2.gz SWXNRAVFQBLEKU-GOSISDBHSA-N 1 3 319.497 2.963 20 0 DFADHO CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(CNC2CCCCC2)nn1 ZINC000641170021 430350801 /nfs/dbraw/zinc/35/08/01/430350801.db2.gz SWXNRAVFQBLEKU-GOSISDBHSA-N 1 3 319.497 2.963 20 0 DFADHO CC(C)Oc1ccccc1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638399052 430330197 /nfs/dbraw/zinc/33/01/97/430330197.db2.gz BMZVWBUMDOZMDO-UHFFFAOYSA-N 1 3 320.477 2.799 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCc2ccc(F)c(Br)c2)C1 ZINC000568249236 430338942 /nfs/dbraw/zinc/33/89/42/430338942.db2.gz LKQUKLXBWXJREU-RYUDHWBXSA-N 1 3 315.230 2.990 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)C1 ZINC000568249236 430338947 /nfs/dbraw/zinc/33/89/47/430338947.db2.gz LKQUKLXBWXJREU-RYUDHWBXSA-N 1 3 315.230 2.990 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CS1 ZINC000638718162 430415311 /nfs/dbraw/zinc/41/53/11/430415311.db2.gz FEBKKBPTOOXFPG-RHSMWYFYSA-N 1 3 320.502 2.627 20 0 DFADHO CNC[C@@](C)(O)C[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000582969370 430352577 /nfs/dbraw/zinc/35/25/77/430352577.db2.gz AINGNIYOGZVJPB-SJLPKXTDSA-N 1 3 318.486 2.900 20 0 DFADHO CCOc1ccc(CC[NH2+][C@H]2CCC[C@@H](N)C2)cc1OCC ZINC000568415141 430359039 /nfs/dbraw/zinc/35/90/39/430359039.db2.gz IOECGFFQRFWPOA-CVEARBPZSA-N 1 3 306.450 2.886 20 0 DFADHO CCOc1ccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000568415141 430359044 /nfs/dbraw/zinc/35/90/44/430359044.db2.gz IOECGFFQRFWPOA-CVEARBPZSA-N 1 3 306.450 2.886 20 0 DFADHO CC(C)[C@@H]1C[C@H](NCc2ccncc2OCC[NH+](C)C)CS1 ZINC000568566751 430370957 /nfs/dbraw/zinc/37/09/57/430370957.db2.gz XGWQSGPASNJBDE-RDJZCZTQSA-N 1 3 323.506 2.642 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@@H]1CC1(F)F ZINC000638540060 430371429 /nfs/dbraw/zinc/37/14/29/430371429.db2.gz YEVWJDLKPKSJTC-BBRMVZONSA-N 1 3 312.404 2.803 20 0 DFADHO C[C@H](C(=O)N1CCCc2cccc(C[NH3+])c21)N1CCCCCC1 ZINC000638545154 430373670 /nfs/dbraw/zinc/37/36/70/430373670.db2.gz QBHDNHXZVGLFGG-OAHLLOKOSA-N 1 3 315.461 2.689 20 0 DFADHO CO[C@@H](C[NH2+]C[C@H]1CCCN(C(C)C)C1)Cc1ccccc1 ZINC000638566887 430378481 /nfs/dbraw/zinc/37/84/81/430378481.db2.gz QNBPYVYDEKYWEH-RTBURBONSA-N 1 3 304.478 2.954 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1CCCCC1 ZINC000638588791 430383750 /nfs/dbraw/zinc/38/37/50/430383750.db2.gz NRANZITZUDZQIQ-SJLPKXTDSA-N 1 3 307.526 2.961 20 0 DFADHO [NH3+]CCC1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000583326345 430384513 /nfs/dbraw/zinc/38/45/13/430384513.db2.gz WBCWMQJLQYPQNL-UHFFFAOYSA-N 1 3 302.397 2.777 20 0 DFADHO CCn1c2ccccc2nc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000568761792 430389249 /nfs/dbraw/zinc/38/92/49/430389249.db2.gz IMKWWMXXXJGOBR-JKSUJKDBSA-N 1 3 312.461 2.878 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)C1 ZINC000583575435 430408649 /nfs/dbraw/zinc/40/86/49/430408649.db2.gz FKYAVXHJNHFUQX-JHJVBQTASA-N 1 3 311.832 2.917 20 0 DFADHO C[C@@H]1CCCCN1CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548060658 430443841 /nfs/dbraw/zinc/44/38/41/430443841.db2.gz NVHVLDQFOJLYEP-MRXNPFEDSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H]1CCCCN1CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548060658 430443845 /nfs/dbraw/zinc/44/38/45/430443845.db2.gz NVHVLDQFOJLYEP-MRXNPFEDSA-N 1 3 309.498 2.632 20 0 DFADHO CN(CCN(C)c1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583999529 430449990 /nfs/dbraw/zinc/44/99/90/430449990.db2.gz NKIMGGJKNCZWJO-UHFFFAOYSA-N 1 3 309.457 2.901 20 0 DFADHO Cc1cc(C[NH2+]CC2CCN(c3ccncc3)CC2)sn1 ZINC000638837173 430450284 /nfs/dbraw/zinc/45/02/84/430450284.db2.gz QBSXASXLULMBNO-UHFFFAOYSA-N 1 3 302.447 2.853 20 0 DFADHO N[C@H]1CCC[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000584047280 430453383 /nfs/dbraw/zinc/45/33/83/430453383.db2.gz FKEZEKGTJNUVLK-ZWKOTPCHSA-N 1 3 300.402 2.966 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048123 430453610 /nfs/dbraw/zinc/45/36/10/430453610.db2.gz DLHTXCJNUFFTTL-SJLPKXTDSA-N 1 3 324.896 2.953 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048123 430453614 /nfs/dbraw/zinc/45/36/14/430453614.db2.gz DLHTXCJNUFFTTL-SJLPKXTDSA-N 1 3 324.896 2.953 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048123 430453619 /nfs/dbraw/zinc/45/36/19/430453619.db2.gz DLHTXCJNUFFTTL-SJLPKXTDSA-N 1 3 324.896 2.953 20 0 DFADHO [NH3+]C[C@H](NCc1cc(-n2ccnc2)cs1)C1CCCCC1 ZINC000569452044 430455070 /nfs/dbraw/zinc/45/50/70/430455070.db2.gz KJUZUCJTAQEWEX-INIZCTEOSA-N 1 3 304.463 2.931 20 0 DFADHO CC(C)(C[NH3+])C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638850750 430455609 /nfs/dbraw/zinc/45/56/09/430455609.db2.gz GVBCYRYNPHZSEW-KRWDZBQOSA-N 1 3 317.477 2.532 20 0 DFADHO c1cc2cc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)ccc2[nH]1 ZINC000584207543 430469279 /nfs/dbraw/zinc/46/92/79/430469279.db2.gz KOHIPQYCZYHXLW-INIZCTEOSA-N 1 3 313.445 2.758 20 0 DFADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000641804172 430478029 /nfs/dbraw/zinc/47/80/29/430478029.db2.gz JACOAGGWQHDMKK-CHWSQXEVSA-N 1 3 313.804 2.523 20 0 DFADHO CCCc1nc(C)c(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000641823618 430482609 /nfs/dbraw/zinc/48/26/09/430482609.db2.gz STXDVZSMBVDLAG-JYJNAYRXSA-N 1 3 321.465 2.654 20 0 DFADHO C[C@H]([NH2+]C1CC(n2cccn2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000638973180 430484713 /nfs/dbraw/zinc/48/47/13/430484713.db2.gz YFIDRLXOTSZYTK-LCMLCXGQSA-N 1 3 302.466 2.829 20 0 DFADHO C[N@H+](CCC(=O)N1CCCN(C(C)(C)C)CC1)C1CCCCC1 ZINC000548715170 430493953 /nfs/dbraw/zinc/49/39/53/430493953.db2.gz YPLYDIKXUCURJQ-UHFFFAOYSA-N 1 3 323.525 2.974 20 0 DFADHO C[N@@H+](CCC(=O)N1CCCN(C(C)(C)C)CC1)C1CCCCC1 ZINC000548715170 430493957 /nfs/dbraw/zinc/49/39/57/430493957.db2.gz YPLYDIKXUCURJQ-UHFFFAOYSA-N 1 3 323.525 2.974 20 0 DFADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cc1ccc(F)cc1 ZINC000569960993 430501594 /nfs/dbraw/zinc/50/15/94/430501594.db2.gz VLCHQHSJYOUJHN-IBGZPJMESA-N 1 3 320.452 2.726 20 0 DFADHO C[NH+](C)Cc1ccc(CNCCC(=O)Nc2ccccc2)cc1 ZINC000548832137 430503869 /nfs/dbraw/zinc/50/38/69/430503869.db2.gz ITPSHDMUKFXVJK-UHFFFAOYSA-N 1 3 311.429 2.867 20 0 DFADHO Cn1cc(-c2ccc(CNC[C@@H]3CCC[N@H+](C)C3)s2)cn1 ZINC000548872277 430507058 /nfs/dbraw/zinc/50/70/58/430507058.db2.gz OTJRTKYSNMDDGO-ZDUSSCGKSA-N 1 3 304.463 2.580 20 0 DFADHO Cn1cc(-c2ccc(CNC[C@@H]3CCC[N@@H+](C)C3)s2)cn1 ZINC000548872277 430507060 /nfs/dbraw/zinc/50/70/60/430507060.db2.gz OTJRTKYSNMDDGO-ZDUSSCGKSA-N 1 3 304.463 2.580 20 0 DFADHO CO[C@H](CNC(C)(C)CC[NH+]1CCCCCC1)[C@@H]1CCOC1 ZINC000639067449 430510855 /nfs/dbraw/zinc/51/08/55/430510855.db2.gz XRNVTXACBAVMSZ-IAGOWNOFSA-N 1 3 312.498 2.672 20 0 DFADHO Cc1nc2ccccc2nc1CN1CCCC12CC[NH+](C)CC2 ZINC000639081787 430516382 /nfs/dbraw/zinc/51/63/82/430516382.db2.gz LSAQVRIIXKIRPM-UHFFFAOYSA-N 1 3 310.445 2.998 20 0 DFADHO Cc1nc2ccccc2nc1C[N@H+]1CCCC12CCN(C)CC2 ZINC000639081787 430516385 /nfs/dbraw/zinc/51/63/85/430516385.db2.gz LSAQVRIIXKIRPM-UHFFFAOYSA-N 1 3 310.445 2.998 20 0 DFADHO Cc1nc2ccccc2nc1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000639081787 430516388 /nfs/dbraw/zinc/51/63/88/430516388.db2.gz LSAQVRIIXKIRPM-UHFFFAOYSA-N 1 3 310.445 2.998 20 0 DFADHO c1[nH]c2ncncc2c1CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000639117311 430532084 /nfs/dbraw/zinc/53/20/84/430532084.db2.gz GFICHSDXPDVFRK-MRXNPFEDSA-N 1 3 321.428 2.521 20 0 DFADHO c1[nH]c2ncncc2c1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000639117311 430532087 /nfs/dbraw/zinc/53/20/87/430532087.db2.gz GFICHSDXPDVFRK-MRXNPFEDSA-N 1 3 321.428 2.521 20 0 DFADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCCCCN1 ZINC000570572056 430554633 /nfs/dbraw/zinc/55/46/33/430554633.db2.gz XBLQBLXBAVJHSE-SFHVURJKSA-N 1 3 315.461 2.796 20 0 DFADHO COc1ccc(COCCN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000643441037 430600995 /nfs/dbraw/zinc/60/09/95/430600995.db2.gz OBLNZWQBNJCDJX-UXLLHSPISA-N 1 3 306.450 2.517 20 0 DFADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1cccc2c1CCNC2 ZINC000570675166 430566444 /nfs/dbraw/zinc/56/64/44/430566444.db2.gz RZDHYRVDQGRFDK-JKSUJKDBSA-N 1 3 301.434 2.569 20 0 DFADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1cccc2c1CCNC2 ZINC000570675165 430567187 /nfs/dbraw/zinc/56/71/87/430567187.db2.gz RZDHYRVDQGRFDK-HZPDHXFCSA-N 1 3 301.434 2.569 20 0 DFADHO CC[C@@H](C)[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)OC ZINC000639209966 430572806 /nfs/dbraw/zinc/57/28/06/430572806.db2.gz BVHXGFYEPPWCAX-WKUFJEKOSA-N 1 3 312.498 2.621 20 0 DFADHO CC[C@@H](C)[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)OC ZINC000639209966 430572809 /nfs/dbraw/zinc/57/28/09/430572809.db2.gz BVHXGFYEPPWCAX-WKUFJEKOSA-N 1 3 312.498 2.621 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@H](CN1CCCCC1)c1ccccc1 ZINC000643451858 430601628 /nfs/dbraw/zinc/60/16/28/430601628.db2.gz LJKZNCHVQSNWGC-RTBURBONSA-N 1 3 319.493 2.557 20 0 DFADHO Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCNCC3)C2)cc1F ZINC000643453138 430602105 /nfs/dbraw/zinc/60/21/05/430602105.db2.gz JJYWIVHZIKKEAB-KGLIPLIRSA-N 1 3 309.404 2.523 20 0 DFADHO C[C@H](NC[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000643453198 430602256 /nfs/dbraw/zinc/60/22/56/430602256.db2.gz ONYFTIIQGFRYTN-RRFJBIMHSA-N 1 3 307.869 2.754 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643452982 430602465 /nfs/dbraw/zinc/60/24/65/430602465.db2.gz BBYCYZRBJKEAGN-ZQIUZPCESA-N 1 3 307.869 2.883 20 0 DFADHO C[N@H+](C[C@@H](O)CNCC(C)(C)c1cccc(Cl)c1)C1CC1 ZINC000571040258 430599009 /nfs/dbraw/zinc/59/90/09/430599009.db2.gz YWWGVIJOXGOFTF-INIZCTEOSA-N 1 3 310.869 2.662 20 0 DFADHO C[N@@H+](C[C@@H](O)CNCC(C)(C)c1cccc(Cl)c1)C1CC1 ZINC000571040258 430599011 /nfs/dbraw/zinc/59/90/11/430599011.db2.gz YWWGVIJOXGOFTF-INIZCTEOSA-N 1 3 310.869 2.662 20 0 DFADHO CC[C@H](N)C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000571043172 430599128 /nfs/dbraw/zinc/59/91/28/430599128.db2.gz BOGJPXNQIMTYES-UAGQMJEPSA-N 1 3 305.466 2.605 20 0 DFADHO COc1ccc(COCCN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000643061219 430546345 /nfs/dbraw/zinc/54/63/45/430546345.db2.gz QWJVUTVBIHJHJO-IBGZPJMESA-N 1 3 318.461 2.676 20 0 DFADHO CCC(CC)[N@H+](CC)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000571798069 430653790 /nfs/dbraw/zinc/65/37/90/430653790.db2.gz UOLFBRXNEVJFKH-GOSISDBHSA-N 1 3 319.493 2.916 20 0 DFADHO CCC(CC)[N@@H+](CC)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000571798069 430653794 /nfs/dbraw/zinc/65/37/94/430653794.db2.gz UOLFBRXNEVJFKH-GOSISDBHSA-N 1 3 319.493 2.916 20 0 DFADHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000554882132 430654433 /nfs/dbraw/zinc/65/44/33/430654433.db2.gz GUPWBRUXWUPOHS-AWEZNQCLSA-N 1 3 321.431 2.723 20 0 DFADHO C[C@H](NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000643453184 430602711 /nfs/dbraw/zinc/60/27/11/430602711.db2.gz MOHWEZFMSFBOHO-SUNYJGFJSA-N 1 3 323.431 2.911 20 0 DFADHO Cc1ccc(CC[NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)cc1 ZINC000639308014 430604000 /nfs/dbraw/zinc/60/40/00/430604000.db2.gz JZLPKVJOOPOUQZ-NRFANRHFSA-N 1 3 324.468 2.894 20 0 DFADHO C[C@H](N[C@@H](CN1CCCC1)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000643458442 430603985 /nfs/dbraw/zinc/60/39/85/430603985.db2.gz PQXJJGPHDVFQAZ-WDSOQIARSA-N 1 3 301.478 2.801 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)[C@H]1CCCNC1 ZINC000643459101 430604223 /nfs/dbraw/zinc/60/42/23/430604223.db2.gz WBJSKBVINTWMNX-CABCVRRESA-N 1 3 318.461 2.713 20 0 DFADHO C[C@@H](NCC(C)(C)c1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000643459101 430604224 /nfs/dbraw/zinc/60/42/24/430604224.db2.gz WBJSKBVINTWMNX-CABCVRRESA-N 1 3 318.461 2.713 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(CC(F)F)CC1 ZINC000643460035 430604662 /nfs/dbraw/zinc/60/46/62/430604662.db2.gz NCLWLPATTUMFFX-UKRRQHHQSA-N 1 3 303.441 2.616 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CC1(F)F ZINC000639309425 430604744 /nfs/dbraw/zinc/60/47/44/430604744.db2.gz AHEZGGDCPORHCG-CJNGLKHVSA-N 1 3 309.404 2.927 20 0 DFADHO CO[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)CC(C)C ZINC000639311554 430606037 /nfs/dbraw/zinc/60/60/37/430606037.db2.gz NQNIXETVRNMSCG-IBGZPJMESA-N 1 3 319.493 2.944 20 0 DFADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CC1(F)F ZINC000639309427 430606586 /nfs/dbraw/zinc/60/65/86/430606586.db2.gz AHEZGGDCPORHCG-XJKSGUPXSA-N 1 3 309.404 2.927 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCCNCC2)cc1OC ZINC000643522786 430612501 /nfs/dbraw/zinc/61/25/01/430612501.db2.gz SMBZXEKETXDDIA-IJEWVQPXSA-N 1 3 306.450 2.928 20 0 DFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H]2C[C@H](F)CN2)CC1 ZINC000643538689 430613914 /nfs/dbraw/zinc/61/39/14/430613914.db2.gz RTYNCISOIKPXBG-HOCLYGCPSA-N 1 3 313.505 2.955 20 0 DFADHO COc1cc(F)c([C@@H](C)N[C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000643537056 430614500 /nfs/dbraw/zinc/61/45/00/430614500.db2.gz YNFRIUPPKAWAII-BZNIZROVSA-N 1 3 308.397 2.636 20 0 DFADHO COc1cc(C[C@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)ccn1 ZINC000639336242 430615187 /nfs/dbraw/zinc/61/51/87/430615187.db2.gz ABVZUWKJLAJAHS-MAUKXSAKSA-N 1 3 317.477 2.733 20 0 DFADHO COc1cc(C[C@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)ccn1 ZINC000639336242 430615189 /nfs/dbraw/zinc/61/51/89/430615189.db2.gz ABVZUWKJLAJAHS-MAUKXSAKSA-N 1 3 317.477 2.733 20 0 DFADHO COc1cc(C[C@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)ccn1 ZINC000639336242 430615191 /nfs/dbraw/zinc/61/51/91/430615191.db2.gz ABVZUWKJLAJAHS-MAUKXSAKSA-N 1 3 317.477 2.733 20 0 DFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNCC2(O)CCC2)C1 ZINC000571277360 430617463 /nfs/dbraw/zinc/61/74/63/430617463.db2.gz SQJFYWFTENREGA-INIZCTEOSA-N 1 3 302.462 2.923 20 0 DFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNCC2(O)CCC2)C1 ZINC000571277360 430617467 /nfs/dbraw/zinc/61/74/67/430617467.db2.gz SQJFYWFTENREGA-INIZCTEOSA-N 1 3 302.462 2.923 20 0 DFADHO [NH3+]C[C@H]1CC[C@H](CN[C@H](c2ccccc2)c2ccncn2)CC1 ZINC000571313389 430619516 /nfs/dbraw/zinc/61/95/16/430619516.db2.gz WZSWKRHZAZFTQE-GPMSIDNRSA-N 1 3 310.445 2.921 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000639359288 430620018 /nfs/dbraw/zinc/62/00/18/430620018.db2.gz KHVJXVREHPLMRM-NZSAHSFTSA-N 1 3 302.462 2.771 20 0 DFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3scnc3C3CC3)CC2)C1 ZINC000571385705 430624317 /nfs/dbraw/zinc/62/43/17/430624317.db2.gz WXBGPXPADCURQY-LSDHHAIUSA-N 1 3 321.490 2.739 20 0 DFADHO CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000554095006 430627929 /nfs/dbraw/zinc/62/79/29/430627929.db2.gz ASSJIYBFUPLCMD-IYWMVGAKSA-N 1 3 316.489 2.751 20 0 DFADHO COc1ccc([C@H](OC)[C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000571431469 430628115 /nfs/dbraw/zinc/62/81/15/430628115.db2.gz JGKHBXUEMVEIOZ-ILXVDBEPSA-N 1 3 306.450 2.749 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000571514210 430633096 /nfs/dbraw/zinc/63/30/96/430633096.db2.gz AEBPMFVEQXSSQZ-SWLSCSKDSA-N 1 3 323.868 2.955 20 0 DFADHO Cc1cccc(OC[C@@H](O)C[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC000571636879 430642089 /nfs/dbraw/zinc/64/20/89/430642089.db2.gz UDYDCYNAVLFBAF-MSOLQXFVSA-N 1 3 320.477 2.589 20 0 DFADHO c1cnc(CCN2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000639450961 430642479 /nfs/dbraw/zinc/64/24/79/430642479.db2.gz GAWOBMYGMXPYAD-UHFFFAOYSA-N 1 3 302.466 2.607 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3c2CCOC3)[C@H](C)C1 ZINC000639531844 430664398 /nfs/dbraw/zinc/66/43/98/430664398.db2.gz BMZNUDNDEAMKDQ-DNVCBOLYSA-N 1 3 302.462 2.921 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc3c2CCOC3)[C@H](C)C1 ZINC000639531844 430664400 /nfs/dbraw/zinc/66/44/00/430664400.db2.gz BMZNUDNDEAMKDQ-DNVCBOLYSA-N 1 3 302.462 2.921 20 0 DFADHO C[C@@H]1OCC[C@@H]1CN1CCC[C@H]([N@H+](C)C[C@H]2CCO[C@H]2C)CC1 ZINC000639546951 430668796 /nfs/dbraw/zinc/66/87/96/430668796.db2.gz NKLZOXVAABMZAJ-QTMHVTGLSA-N 1 3 324.509 2.623 20 0 DFADHO C[C@@H]1OCC[C@@H]1CN1CCC[C@H]([N@@H+](C)C[C@H]2CCO[C@H]2C)CC1 ZINC000639546951 430668800 /nfs/dbraw/zinc/66/88/00/430668800.db2.gz NKLZOXVAABMZAJ-QTMHVTGLSA-N 1 3 324.509 2.623 20 0 DFADHO C[C@@H]1OCC[C@@H]1CN(C)[C@H]1CCC[N@H+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639546951 430668802 /nfs/dbraw/zinc/66/88/02/430668802.db2.gz NKLZOXVAABMZAJ-QTMHVTGLSA-N 1 3 324.509 2.623 20 0 DFADHO C[C@@H]1OCC[C@@H]1CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639546951 430668805 /nfs/dbraw/zinc/66/88/05/430668805.db2.gz NKLZOXVAABMZAJ-QTMHVTGLSA-N 1 3 324.509 2.623 20 0 DFADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCc1cnccn1 ZINC000639580364 430675581 /nfs/dbraw/zinc/67/55/81/430675581.db2.gz MLZCHRJKXXXEHU-IRXDYDNUSA-N 1 3 324.472 2.765 20 0 DFADHO C[C@H](NCCc1nc(-c2ccncc2)cs1)[C@@H]1CCC[NH2+]C1 ZINC000572234162 430677561 /nfs/dbraw/zinc/67/75/61/430677561.db2.gz DLCVUKYVMIWFLG-DZGCQCFKSA-N 1 3 316.474 2.725 20 0 DFADHO C[C@H]([NH2+]CCc1nc(-c2ccncc2)cs1)[C@@H]1CCCNC1 ZINC000572234162 430677563 /nfs/dbraw/zinc/67/75/63/430677563.db2.gz DLCVUKYVMIWFLG-DZGCQCFKSA-N 1 3 316.474 2.725 20 0 DFADHO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ccc3c(c2)CNCC3)C1 ZINC000572295169 430680319 /nfs/dbraw/zinc/68/03/19/430680319.db2.gz XZUULPNGRQFJQA-MGPUTAFESA-N 1 3 316.489 2.999 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000556161870 430680530 /nfs/dbraw/zinc/68/05/30/430680530.db2.gz XTGCBXJQANNKHO-CCNLRDMRSA-N 1 3 315.461 2.927 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000556161870 430680532 /nfs/dbraw/zinc/68/05/32/430680532.db2.gz XTGCBXJQANNKHO-CCNLRDMRSA-N 1 3 315.461 2.927 20 0 DFADHO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ccc3c(c2)CNCC3)C1 ZINC000572295168 430680676 /nfs/dbraw/zinc/68/06/76/430680676.db2.gz XZUULPNGRQFJQA-FOIQADDNSA-N 1 3 316.489 2.999 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2(N)CCCCC2)C1 ZINC000165126808 278002158 /nfs/dbraw/zinc/00/21/58/278002158.db2.gz PEYQFFBSZBATLK-IYBDPMFKSA-N 1 3 309.498 2.522 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2(N)CCCCC2)C1 ZINC000165126808 278002159 /nfs/dbraw/zinc/00/21/59/278002159.db2.gz PEYQFFBSZBATLK-IYBDPMFKSA-N 1 3 309.498 2.522 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000187887356 278281165 /nfs/dbraw/zinc/28/11/65/278281165.db2.gz GQGNPCKNDMUMLB-WBAXXEDZSA-N 1 3 306.450 2.581 20 0 DFADHO C[C@H]1CCCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000354846906 278329363 /nfs/dbraw/zinc/32/93/63/278329363.db2.gz DOTZSINIVZNSEG-WMZOPIPTSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@H]1CCCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000354846906 278329364 /nfs/dbraw/zinc/32/93/64/278329364.db2.gz DOTZSINIVZNSEG-WMZOPIPTSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)C1CCCCC1 ZINC000556874959 430695432 /nfs/dbraw/zinc/69/54/32/430695432.db2.gz HRNARYJQZMABII-AKHDSKFASA-N 1 3 307.526 2.959 20 0 DFADHO CCC1(C[NH2+]Cc2ccc(OCCN(C)C)cc2)CCOCC1 ZINC000644432937 430732499 /nfs/dbraw/zinc/73/24/99/430732499.db2.gz BGVKMZSQURMYHR-UHFFFAOYSA-N 1 3 320.477 2.923 20 0 DFADHO Cc1nn(C(C)C)cc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657813533 430743285 /nfs/dbraw/zinc/74/32/85/430743285.db2.gz QNOXLNQTVPVDDX-UHFFFAOYSA-N 1 3 304.482 2.984 20 0 DFADHO C(NCC1CC[NH+](CC2CC2)CC1)c1nc2c(s1)CCC2 ZINC000657813570 430743903 /nfs/dbraw/zinc/74/39/03/430743903.db2.gz SAQKKZARGFJZIQ-UHFFFAOYSA-N 1 3 305.491 2.843 20 0 DFADHO CC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccsc1 ZINC000651228312 430744479 /nfs/dbraw/zinc/74/44/79/430744479.db2.gz OYYZQPSQNVTSLD-DOTOQJQBSA-N 1 3 307.507 2.957 20 0 DFADHO C[C@H](Cc1ccc2c(c1)CCCC2)NC[C@H](O)C[NH+]1CCCC1 ZINC000657847806 430753014 /nfs/dbraw/zinc/75/30/14/430753014.db2.gz XEBJDHVSNUVQFS-UZLBHIALSA-N 1 3 316.489 2.543 20 0 DFADHO COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000657869934 430756367 /nfs/dbraw/zinc/75/63/67/430756367.db2.gz AOQSHYLCMDDCLP-QZTJIDSGSA-N 1 3 312.498 2.528 20 0 DFADHO COC[C@@H](CC1CCOCC1)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000657869934 430756368 /nfs/dbraw/zinc/75/63/68/430756368.db2.gz AOQSHYLCMDDCLP-QZTJIDSGSA-N 1 3 312.498 2.528 20 0 DFADHO COC[C@@H](CC1CCOCC1)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000657869934 430756371 /nfs/dbraw/zinc/75/63/71/430756371.db2.gz AOQSHYLCMDDCLP-QZTJIDSGSA-N 1 3 312.498 2.528 20 0 DFADHO CC1(C)C[N@H+](CCCO)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664835686 430759021 /nfs/dbraw/zinc/75/90/21/430759021.db2.gz GHFYPLOKWWMFGK-LJQANCHMSA-N 1 3 316.489 2.991 20 0 DFADHO CC1(C)C[N@@H+](CCCO)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664835686 430759026 /nfs/dbraw/zinc/75/90/26/430759026.db2.gz GHFYPLOKWWMFGK-LJQANCHMSA-N 1 3 316.489 2.991 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]4C3(C)C)C2)CC1 ZINC000657881957 430759753 /nfs/dbraw/zinc/75/97/53/430759753.db2.gz ZZRSVLVCBKCOSX-BGTYHANMSA-N 1 3 305.510 2.569 20 0 DFADHO C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC1(O)CCN(C)CC1 ZINC000657887662 430761540 /nfs/dbraw/zinc/76/15/40/430761540.db2.gz NRLUENKMHSJBOG-MRXNPFEDSA-N 1 3 316.489 2.543 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]C2CC(CF)(CF)C2)C[C@H](C)O1 ZINC000657919531 430767614 /nfs/dbraw/zinc/76/76/14/430767614.db2.gz NAJZIYUVDHITQN-OKILXGFUSA-N 1 3 304.425 2.553 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CCC(C)(C)CC(C)(C)C2)CC1 ZINC000661626735 430778356 /nfs/dbraw/zinc/77/83/56/430778356.db2.gz LLVXAQCRLQBDHB-UHFFFAOYSA-N 1 3 323.525 2.735 20 0 DFADHO COc1ccsc1[C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000658105717 430812812 /nfs/dbraw/zinc/81/28/12/430812812.db2.gz CUNTXXXHEUDJOH-UONOGXRCSA-N 1 3 313.511 2.679 20 0 DFADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(F)cc1F ZINC000658109135 430815442 /nfs/dbraw/zinc/81/54/42/430815442.db2.gz QZLIWGTVVNADSB-UONOGXRCSA-N 1 3 313.436 2.887 20 0 DFADHO C[C@H](CCC1CC1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658135957 430820005 /nfs/dbraw/zinc/82/00/05/430820005.db2.gz FXTBNZGOGBGGMH-DNVCBOLYSA-N 1 3 302.462 2.922 20 0 DFADHO CC(C)C1CC([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000658141951 430822584 /nfs/dbraw/zinc/82/25/84/430822584.db2.gz YCPNTGKDFBGPJC-CTWPCTMYSA-N 1 3 302.462 2.777 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)C1 ZINC000658140287 430823907 /nfs/dbraw/zinc/82/39/07/430823907.db2.gz PLUSYSPCRQBKEQ-GOSISDBHSA-N 1 3 300.446 2.531 20 0 DFADHO COC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C(C)C ZINC000658168450 430834408 /nfs/dbraw/zinc/83/44/08/430834408.db2.gz XGTFDPIIRIXAGN-SFHVURJKSA-N 1 3 305.466 2.554 20 0 DFADHO CC[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)CCO1 ZINC000648446908 430790805 /nfs/dbraw/zinc/79/08/05/430790805.db2.gz IBNUHSLMCRONIU-ZWKOTPCHSA-N 1 3 320.477 2.717 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)[C@H]1CCCC[C@H]1C ZINC000648450654 430791742 /nfs/dbraw/zinc/79/17/42/430791742.db2.gz ZMABPLRHGFSSPP-NTDBWNAOSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc(OCCN(C)C)c1 ZINC000658058031 430795422 /nfs/dbraw/zinc/79/54/22/430795422.db2.gz LCZZZWBLBFJWAJ-ZBFHGGJFSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc2[nH]c(=O)oc2c1 ZINC000651454300 430799370 /nfs/dbraw/zinc/79/93/70/430799370.db2.gz AQBJAURWDDWKAL-HLVVYCRESA-N 1 3 301.390 2.809 20 0 DFADHO CO[C@@H](C[NH2+]C1CCN(CC(C)C)CC1)Cc1ccccc1 ZINC000648653742 430846657 /nfs/dbraw/zinc/84/66/57/430846657.db2.gz AMRYAOKDRYMZDH-LJQANCHMSA-N 1 3 304.478 2.954 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2cc3cnccc3o2)C[C@H](C)O1 ZINC000651721046 430858357 /nfs/dbraw/zinc/85/83/57/430858357.db2.gz RGWVVYKRASEBPY-GJZGRUSLSA-N 1 3 317.433 2.807 20 0 DFADHO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000665236597 430864764 /nfs/dbraw/zinc/86/47/64/430864764.db2.gz QJONQZHZQNLTNK-SQNIBIBYSA-N 1 3 301.478 2.942 20 0 DFADHO Fc1c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1OC1CC1 ZINC000665244049 430867227 /nfs/dbraw/zinc/86/72/27/430867227.db2.gz FNRXQPXJCPFWFB-VHDGCEQUSA-N 1 3 304.409 2.845 20 0 DFADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]CC2(N)CCCC2)cc1 ZINC000665247647 430867496 /nfs/dbraw/zinc/86/74/96/430867496.db2.gz GXKZFLSRJYIGRE-KRWDZBQOSA-N 1 3 313.449 2.579 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665267239 430876633 /nfs/dbraw/zinc/87/66/33/430876633.db2.gz SJLJMBSYQCZCQI-RDJZCZTQSA-N 1 3 316.493 2.906 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665267239 430876637 /nfs/dbraw/zinc/87/66/37/430876637.db2.gz SJLJMBSYQCZCQI-RDJZCZTQSA-N 1 3 316.493 2.906 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1sc(C)cc1Br ZINC000665266595 430876905 /nfs/dbraw/zinc/87/69/05/430876905.db2.gz FTNMTSUZQREQOF-SNVBAGLBSA-N 1 3 321.284 2.663 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658337947 430879557 /nfs/dbraw/zinc/87/95/57/430879557.db2.gz BLTOVRHKLUTGGU-WSIUPNEHSA-N 1 3 302.462 2.613 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658337947 430879560 /nfs/dbraw/zinc/87/95/60/430879560.db2.gz BLTOVRHKLUTGGU-WSIUPNEHSA-N 1 3 302.462 2.613 20 0 DFADHO CC(C)[C@H](N)CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000665281320 430881261 /nfs/dbraw/zinc/88/12/61/430881261.db2.gz ZNXUMVCTKCTDMU-NLGTXKQRSA-N 1 3 315.461 2.782 20 0 DFADHO CC(C)[C@H]([NH3+])CCNC1CCC2(CC1)c1ccccc1NC2=O ZINC000665281320 430881266 /nfs/dbraw/zinc/88/12/66/430881266.db2.gz ZNXUMVCTKCTDMU-NLGTXKQRSA-N 1 3 315.461 2.782 20 0 DFADHO Cc1ncc([C@@H](C)NCC2CC[NH+](CC3CC3)CC2)c(C)n1 ZINC000658355321 430882901 /nfs/dbraw/zinc/88/29/01/430882901.db2.gz IAUCTKSHXQVJSU-CYBMUJFWSA-N 1 3 302.466 2.866 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H]2CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658349918 430883576 /nfs/dbraw/zinc/88/35/76/430883576.db2.gz VPLRAMHVBLLZNM-UHOSZYNNSA-N 1 3 301.478 2.581 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H]2CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658349918 430883589 /nfs/dbraw/zinc/88/35/89/430883589.db2.gz VPLRAMHVBLLZNM-UHOSZYNNSA-N 1 3 301.478 2.581 20 0 DFADHO C[NH2+]CCCC(=O)N1CCC(N[C@H](C)c2cc(C)c(C)o2)CC1 ZINC000665288978 430886904 /nfs/dbraw/zinc/88/69/04/430886904.db2.gz CGJGMQFDHHUGSI-CQSZACIVSA-N 1 3 321.465 2.538 20 0 DFADHO COc1ccccc1-c1cc(CN[C@H](C)CCCC[NH3+])on1 ZINC000665299187 430888796 /nfs/dbraw/zinc/88/87/96/430888796.db2.gz IERBSFVRZOIMAE-CYBMUJFWSA-N 1 3 303.406 2.957 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC[C@@]2(CO)CCc3ccccc32)CC1 ZINC000651884825 430905785 /nfs/dbraw/zinc/90/57/85/430905785.db2.gz QJMHJEWQOTUBJZ-HXUWFJFHSA-N 1 3 316.489 2.715 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@@]2(CO)CCc3ccccc32)CC1 ZINC000651884825 430905786 /nfs/dbraw/zinc/90/57/86/430905786.db2.gz QJMHJEWQOTUBJZ-HXUWFJFHSA-N 1 3 316.489 2.715 20 0 DFADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)N1CCCCC1 ZINC000648845270 430912050 /nfs/dbraw/zinc/91/20/50/430912050.db2.gz QBPDIVMGIAVWGG-WMZOPIPTSA-N 1 3 323.525 2.686 20 0 DFADHO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(OCCN(C)C)cc2)C1 ZINC000648872456 430921627 /nfs/dbraw/zinc/92/16/27/430921627.db2.gz BTDHYBCNFWTYAR-GOSISDBHSA-N 1 3 319.493 2.542 20 0 DFADHO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(OCCN(C)C)cc2)C1 ZINC000648872456 430921631 /nfs/dbraw/zinc/92/16/31/430921631.db2.gz BTDHYBCNFWTYAR-GOSISDBHSA-N 1 3 319.493 2.542 20 0 DFADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652201153 430986427 /nfs/dbraw/zinc/98/64/27/430986427.db2.gz XCCVYNPRVQBFLH-ZFWWWQNUSA-N 1 3 324.465 2.951 20 0 DFADHO Cc1noc(C2CCC([NH2+]CCCN(C)CC(C)C)CC2)n1 ZINC000652221924 430991952 /nfs/dbraw/zinc/99/19/52/430991952.db2.gz AGMGYNIPZQWVRQ-UHFFFAOYSA-N 1 3 308.470 2.972 20 0 DFADHO CCN(Cc1ccc(Cl)s1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248782 431011924 /nfs/dbraw/zinc/01/19/24/431011924.db2.gz JHLOZLKRPSWPCE-NSHDSACASA-N 1 3 300.855 2.744 20 0 DFADHO CN(Cc1ccc(C(C)(C)C)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249169 431012004 /nfs/dbraw/zinc/01/20/04/431012004.db2.gz ILOMPSZKNLRDNB-QGZVFWFLSA-N 1 3 302.462 2.937 20 0 DFADHO FC1(F)Oc2ccc(CC[N@H+](C3CC3)C3CCNCC3)cc2O1 ZINC000662233492 431007739 /nfs/dbraw/zinc/00/77/39/431007739.db2.gz FCBMLCMWYJSWQE-UHFFFAOYSA-N 1 3 324.371 2.767 20 0 DFADHO FC1(F)Oc2ccc(CC[N@@H+](C3CC3)C3CCNCC3)cc2O1 ZINC000662233492 431007743 /nfs/dbraw/zinc/00/77/43/431007743.db2.gz FCBMLCMWYJSWQE-UHFFFAOYSA-N 1 3 324.371 2.767 20 0 DFADHO Fc1ccc(CC2CC[NH+](C[C@@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662257430 431019774 /nfs/dbraw/zinc/01/97/74/431019774.db2.gz OHXJZBJENFCZLA-SFHVURJKSA-N 1 3 318.436 2.601 20 0 DFADHO COc1ccccc1[C@H]1CCCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258503 431019860 /nfs/dbraw/zinc/01/98/60/431019860.db2.gz VOALQPCFQNFXJG-DOTOQJQBSA-N 1 3 316.445 2.743 20 0 DFADHO CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662258679 431020516 /nfs/dbraw/zinc/02/05/16/431020516.db2.gz YZBMQWPYERKXJW-MSOLQXFVSA-N 1 3 302.462 2.851 20 0 DFADHO CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662258679 431020519 /nfs/dbraw/zinc/02/05/19/431020519.db2.gz YZBMQWPYERKXJW-MSOLQXFVSA-N 1 3 302.462 2.851 20 0 DFADHO COc1cccc(SCCN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000662265201 431023127 /nfs/dbraw/zinc/02/31/27/431023127.db2.gz GIEXBMFOXASPQL-RRQGHBQHSA-N 1 3 306.475 2.847 20 0 DFADHO CNC[C@](C)(O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000652336860 431026226 /nfs/dbraw/zinc/02/62/26/431026226.db2.gz IJRLXBGAEFAUOY-PMACEKPBSA-N 1 3 310.441 2.605 20 0 DFADHO CNC[C@](C)(O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000652336860 431026230 /nfs/dbraw/zinc/02/62/30/431026230.db2.gz IJRLXBGAEFAUOY-PMACEKPBSA-N 1 3 310.441 2.605 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000655495500 431028425 /nfs/dbraw/zinc/02/84/25/431028425.db2.gz ZZKJIOJOCSRHGK-KRWDZBQOSA-N 1 3 317.477 2.799 20 0 DFADHO C[C@@H]1CCCN(CCc2nc3ccccc3n2C)[C@@H]1CC[NH3+] ZINC000652355574 431029155 /nfs/dbraw/zinc/02/91/55/431029155.db2.gz ADDFVIUEXAVRQP-GDBMZVCRSA-N 1 3 300.450 2.565 20 0 DFADHO C[C@@H]1CCC[N@H+](CCc2nc3ccccc3n2C)[C@@H]1CCN ZINC000652355574 431029161 /nfs/dbraw/zinc/02/91/61/431029161.db2.gz ADDFVIUEXAVRQP-GDBMZVCRSA-N 1 3 300.450 2.565 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCc2nc3ccccc3n2C)[C@@H]1CCN ZINC000652355574 431029164 /nfs/dbraw/zinc/02/91/64/431029164.db2.gz ADDFVIUEXAVRQP-GDBMZVCRSA-N 1 3 300.450 2.565 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCOc2ccc(F)cc2)C1 ZINC000652360788 431033025 /nfs/dbraw/zinc/03/30/25/431033025.db2.gz QJSNTBUHJWKBAN-KBAYOESNSA-N 1 3 322.424 2.565 20 0 DFADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290998 431034582 /nfs/dbraw/zinc/03/45/82/431034582.db2.gz AZKZOQAJOYNIOB-FUHWJXTLSA-N 1 3 323.525 2.591 20 0 DFADHO CCn1cc(CN(Cc2cccc3c2CC[NH2+]C3)C(C)C)cn1 ZINC000662287339 431035973 /nfs/dbraw/zinc/03/59/73/431035973.db2.gz ZCQDRIQRPGXMKC-UHFFFAOYSA-N 1 3 312.461 2.959 20 0 DFADHO C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313350 431045098 /nfs/dbraw/zinc/04/50/98/431045098.db2.gz LAFLMMPSZPVKAL-QBPKDAKJSA-N 1 3 309.498 2.521 20 0 DFADHO CC1(C)CN[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000645673795 431047591 /nfs/dbraw/zinc/04/75/91/431047591.db2.gz IRQHEBHMEZZEHA-KRWDZBQOSA-N 1 3 315.461 2.652 20 0 DFADHO CC[C@H](NC)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000662388447 431070090 /nfs/dbraw/zinc/07/00/90/431070090.db2.gz PJFLIAZRTHULMV-KRWDZBQOSA-N 1 3 303.450 2.855 20 0 DFADHO CN(C)C[C@@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000662356151 431056460 /nfs/dbraw/zinc/05/64/60/431056460.db2.gz NCHXPQHCRGYXOS-RBUKOAKNSA-N 1 3 323.440 2.640 20 0 DFADHO CN(CCN1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000649296962 431061014 /nfs/dbraw/zinc/06/10/14/431061014.db2.gz VIHGIIDKFIERQZ-RBUKOAKNSA-N 1 3 301.478 2.677 20 0 DFADHO CN(CCN1CCC[C@@H]1[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000649296962 431061016 /nfs/dbraw/zinc/06/10/16/431061016.db2.gz VIHGIIDKFIERQZ-RBUKOAKNSA-N 1 3 301.478 2.677 20 0 DFADHO CN(CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C)Cc1ccccc1 ZINC000649296962 431061020 /nfs/dbraw/zinc/06/10/20/431061020.db2.gz VIHGIIDKFIERQZ-RBUKOAKNSA-N 1 3 301.478 2.677 20 0 DFADHO CN(CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C)Cc1ccccc1 ZINC000649296962 431061021 /nfs/dbraw/zinc/06/10/21/431061021.db2.gz VIHGIIDKFIERQZ-RBUKOAKNSA-N 1 3 301.478 2.677 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000649315178 431065959 /nfs/dbraw/zinc/06/59/59/431065959.db2.gz RFZXLQJABORGCU-OAHLLOKOSA-N 1 3 318.465 2.505 20 0 DFADHO CC[C@H](NC)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000662388384 431068530 /nfs/dbraw/zinc/06/85/30/431068530.db2.gz NUOVIZFPDHRLFR-YOEHRIQHSA-N 1 3 303.450 2.998 20 0 DFADHO CC[C@H](NC)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000662388384 431068533 /nfs/dbraw/zinc/06/85/33/431068533.db2.gz NUOVIZFPDHRLFR-YOEHRIQHSA-N 1 3 303.450 2.998 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc2c1CNC2 ZINC000662389001 431068598 /nfs/dbraw/zinc/06/85/98/431068598.db2.gz RZGZYACGQUHVLD-OAHLLOKOSA-N 1 3 315.461 2.674 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc2c1CNC2 ZINC000662389001 431068600 /nfs/dbraw/zinc/06/86/00/431068600.db2.gz RZGZYACGQUHVLD-OAHLLOKOSA-N 1 3 315.461 2.674 20 0 DFADHO Fc1ccc(C[N@H+](CC2CC2)C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662255503 431015007 /nfs/dbraw/zinc/01/50/07/431015007.db2.gz QLYHKEMFYUZUIR-KRWDZBQOSA-N 1 3 304.409 2.559 20 0 DFADHO Fc1ccc(C[N@@H+](CC2CC2)C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662255503 431015018 /nfs/dbraw/zinc/01/50/18/431015018.db2.gz QLYHKEMFYUZUIR-KRWDZBQOSA-N 1 3 304.409 2.559 20 0 DFADHO C[C@@H]1C[C@H](c2ccccc2F)N(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253976 431015251 /nfs/dbraw/zinc/01/52/51/431015251.db2.gz CTZCVLQARFBKDA-CKEIUWERSA-N 1 3 304.409 2.730 20 0 DFADHO Clc1ccc([C@H]2CCCN2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251138 431016656 /nfs/dbraw/zinc/01/66/56/431016656.db2.gz ZVFMXXXNLQINFA-HZPDHXFCSA-N 1 3 306.837 2.998 20 0 DFADHO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)c1C ZINC000662256229 431017818 /nfs/dbraw/zinc/01/78/18/431017818.db2.gz JOJUBPZCXDXKNX-AEFFLSMTSA-N 1 3 300.446 2.961 20 0 DFADHO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)c1C ZINC000662256229 431017820 /nfs/dbraw/zinc/01/78/20/431017820.db2.gz JOJUBPZCXDXKNX-AEFFLSMTSA-N 1 3 300.446 2.961 20 0 DFADHO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)c1C ZINC000662256231 431018966 /nfs/dbraw/zinc/01/89/66/431018966.db2.gz JOJUBPZCXDXKNX-SJLPKXTDSA-N 1 3 300.446 2.961 20 0 DFADHO Cc1cccc([C@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)c1C ZINC000662256231 431018969 /nfs/dbraw/zinc/01/89/69/431018969.db2.gz JOJUBPZCXDXKNX-SJLPKXTDSA-N 1 3 300.446 2.961 20 0 DFADHO c1ccc(SC[C@@H]2CC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256354 431019322 /nfs/dbraw/zinc/01/93/22/431019322.db2.gz IMJLILDXSCJXNX-HZPDHXFCSA-N 1 3 318.486 2.622 20 0 DFADHO c1ccc(SC[C@@H]2CC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256354 431019330 /nfs/dbraw/zinc/01/93/30/431019330.db2.gz IMJLILDXSCJXNX-HZPDHXFCSA-N 1 3 318.486 2.622 20 0 DFADHO CC(C)[N@@H+]1CCCC[C@@H]1CN(C)C[C@@H]1CCc2nccn2C1 ZINC000649460668 431108611 /nfs/dbraw/zinc/10/86/11/431108611.db2.gz KBLODHVTGIUNID-DLBZAZTESA-N 1 3 304.482 2.640 20 0 DFADHO CC(C)[N@H+]1CCCC[C@@H]1CN(C)C[C@@H]1CCc2nccn2C1 ZINC000649460668 431108615 /nfs/dbraw/zinc/10/86/15/431108615.db2.gz KBLODHVTGIUNID-DLBZAZTESA-N 1 3 304.482 2.640 20 0 DFADHO O[C@H](CN[C@@H]1CCc2cccc(Cl)c2C1)C[NH+]1CCCCC1 ZINC000666085005 431111743 /nfs/dbraw/zinc/11/17/43/431111743.db2.gz PYGWVCYVCBLECH-HZPDHXFCSA-N 1 3 322.880 2.634 20 0 DFADHO CCCC[N@H+](C)CC1CCN(CCc2cncc(C)n2)CC1 ZINC000649489729 431119582 /nfs/dbraw/zinc/11/95/82/431119582.db2.gz FBUOQQASFKDOAA-UHFFFAOYSA-N 1 3 304.482 2.771 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(CCc2cncc(C)n2)CC1 ZINC000649489729 431119590 /nfs/dbraw/zinc/11/95/90/431119590.db2.gz FBUOQQASFKDOAA-UHFFFAOYSA-N 1 3 304.482 2.771 20 0 DFADHO CC[C@@H](NC)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000662584526 431123478 /nfs/dbraw/zinc/12/34/78/431123478.db2.gz PFLYBKAFVRAZQT-MRXNPFEDSA-N 1 3 321.490 2.811 20 0 DFADHO Cc1cccc2nc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cn21 ZINC000649418046 431096022 /nfs/dbraw/zinc/09/60/22/431096022.db2.gz XOULZRHSYLVDMQ-IAGOWNOFSA-N 1 3 312.461 2.854 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662523655 431105003 /nfs/dbraw/zinc/10/50/03/431105003.db2.gz QHZVCSCAIVPWRI-QAPCUYQASA-N 1 3 317.477 2.848 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@@H]1NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000271513520 279021714 /nfs/dbraw/zinc/02/17/14/279021714.db2.gz ODJMHFBOUSADMA-QRKUABHPSA-N 1 3 314.473 2.887 20 0 DFADHO C[C@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)C1CC[NH+](C)CC1 ZINC000666165800 431134419 /nfs/dbraw/zinc/13/44/19/431134419.db2.gz KDKGOIATEUOGOX-HZUKXOBISA-N 1 3 324.490 2.641 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000178158726 288102075 /nfs/dbraw/zinc/10/20/75/288102075.db2.gz NDFCZZNXJQTQEK-JTDSTZFVSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000124807207 288102231 /nfs/dbraw/zinc/10/22/31/288102231.db2.gz VAOZAMPYGWQFCR-BODMPHMZSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000124807207 288102234 /nfs/dbraw/zinc/10/22/34/288102234.db2.gz VAOZAMPYGWQFCR-BODMPHMZSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000124807207 288102236 /nfs/dbraw/zinc/10/22/36/288102236.db2.gz VAOZAMPYGWQFCR-BODMPHMZSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1cc(F)cc2c1OCOC2 ZINC000120696807 288102310 /nfs/dbraw/zinc/10/23/10/288102310.db2.gz QYYAUMOBJUNJOP-IGCXYCKISA-N 1 3 322.424 2.553 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1cc(F)cc2c1OCOC2 ZINC000120696807 288102311 /nfs/dbraw/zinc/10/23/11/288102311.db2.gz QYYAUMOBJUNJOP-IGCXYCKISA-N 1 3 322.424 2.553 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000133992646 279356371 /nfs/dbraw/zinc/35/63/71/279356371.db2.gz RQOJAEWRLQIWLE-OALUTQOASA-N 1 3 307.526 2.986 20 0 DFADHO C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000356858319 279388422 /nfs/dbraw/zinc/38/84/22/279388422.db2.gz XMHBDMBYEDPJSB-BTHPGYMESA-N 1 3 324.472 2.772 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2[NH2+]CCC2(C)C)c1 ZINC000662684452 431161895 /nfs/dbraw/zinc/16/18/95/431161895.db2.gz ZECAAEWHBDUVRI-INIZCTEOSA-N 1 3 303.450 2.855 20 0 DFADHO Cc1cncc(CCN2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000649567559 431164488 /nfs/dbraw/zinc/16/44/88/431164488.db2.gz WDKVVWMBCVTNTI-UHFFFAOYSA-N 1 3 316.493 2.916 20 0 DFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000662692862 431165761 /nfs/dbraw/zinc/16/57/61/431165761.db2.gz GZJLAMVBXUJMFG-ULQDDVLXSA-N 1 3 309.498 2.521 20 0 DFADHO Cn1c2cc(Cl)ccc2nc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826495 431171032 /nfs/dbraw/zinc/17/10/32/431171032.db2.gz GHGIFGAIFSMHMZ-BJHJDKERSA-N 1 3 306.841 2.657 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000646073977 431173777 /nfs/dbraw/zinc/17/37/77/431173777.db2.gz MRAXYWYEUISECR-HSALFYBXSA-N 1 3 316.489 2.929 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000646073977 431173781 /nfs/dbraw/zinc/17/37/81/431173781.db2.gz MRAXYWYEUISECR-HSALFYBXSA-N 1 3 316.489 2.929 20 0 DFADHO COCC[C@@H](c1ccccc1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105840 431188868 /nfs/dbraw/zinc/18/88/68/431188868.db2.gz JMHSTQXBCOHTAL-SFHVURJKSA-N 1 3 318.461 2.561 20 0 DFADHO Cc1ccccc1C[C@H]1CCCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC000659931529 431197712 /nfs/dbraw/zinc/19/77/12/431197712.db2.gz OWKMXPJUDXRTTO-RTBURBONSA-N 1 3 304.478 2.703 20 0 DFADHO Cc1ccccc1C[C@H]1CCCN1C[C@H](O)C[N@H+](C)C(C)C ZINC000659931529 431197716 /nfs/dbraw/zinc/19/77/16/431197716.db2.gz OWKMXPJUDXRTTO-RTBURBONSA-N 1 3 304.478 2.703 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000646014360 431147347 /nfs/dbraw/zinc/14/73/47/431147347.db2.gz CKFUGWYLNHLWQZ-MAUKXSAKSA-N 1 3 317.477 2.702 20 0 DFADHO CC1CCN([C@@H](CNC(=O)CC2([NH3+])CC2)c2cccs2)CC1 ZINC000662662599 431152949 /nfs/dbraw/zinc/15/29/49/431152949.db2.gz HWWPRZYNMQHEOH-AWEZNQCLSA-N 1 3 321.490 2.519 20 0 DFADHO N[C@@H](CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662668548 431156398 /nfs/dbraw/zinc/15/63/98/431156398.db2.gz OOPFMQILKYVBRF-WMZOPIPTSA-N 1 3 315.461 2.600 20 0 DFADHO N[C@@H](CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662668548 431156404 /nfs/dbraw/zinc/15/64/04/431156404.db2.gz OOPFMQILKYVBRF-WMZOPIPTSA-N 1 3 315.461 2.600 20 0 DFADHO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000666418925 431222119 /nfs/dbraw/zinc/22/21/19/431222119.db2.gz ITBJROQMDFEWQC-BEFAXECRSA-N 1 3 320.477 2.920 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000653043216 431240485 /nfs/dbraw/zinc/24/04/85/431240485.db2.gz HYUHCLLZRKHDIX-ROUUACIJSA-N 1 3 317.477 2.575 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662971690 431245910 /nfs/dbraw/zinc/24/59/10/431245910.db2.gz JOGOCXSORAXUMI-SFHVURJKSA-N 1 3 321.509 2.522 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)C1 ZINC000660114680 431276444 /nfs/dbraw/zinc/27/64/44/431276444.db2.gz JURFNLGHVZQFOV-AJYBTWMASA-N 1 3 319.537 2.913 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)C1 ZINC000660114680 431276447 /nfs/dbraw/zinc/27/64/47/431276447.db2.gz JURFNLGHVZQFOV-AJYBTWMASA-N 1 3 319.537 2.913 20 0 DFADHO CC(C)N1CCN(CCC[NH+]2CCC3(CC3(F)F)CC2)CC1 ZINC000649773881 431287068 /nfs/dbraw/zinc/28/70/68/431287068.db2.gz JKDPBPJPXPRLSY-UHFFFAOYSA-N 1 3 315.452 2.524 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646408826 431300532 /nfs/dbraw/zinc/30/05/32/431300532.db2.gz LRFJNOFXLUASIA-AEFFLSMTSA-N 1 3 317.477 2.718 20 0 DFADHO CC(C)[NH+]1CCC(N2CCN(C[C@@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC000660107539 431272622 /nfs/dbraw/zinc/27/26/22/431272622.db2.gz OAIHIEDCHTZVIJ-BCDXTJNWSA-N 1 3 305.510 2.523 20 0 DFADHO COc1cc2nccc(N3CCC[C@H](CC[NH3+])C3)c2cc1OC ZINC000663238672 431337016 /nfs/dbraw/zinc/33/70/16/431337016.db2.gz COWHZUXRWCMDBF-CYBMUJFWSA-N 1 3 315.417 2.817 20 0 DFADHO CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H]1CCCCO1 ZINC000656276685 431353337 /nfs/dbraw/zinc/35/33/37/431353337.db2.gz IBRSQCAUQVMWDX-ZWKOTPCHSA-N 1 3 303.450 2.988 20 0 DFADHO C[C@@H](O)CN(CC(C)(C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000656277622 431353824 /nfs/dbraw/zinc/35/38/24/431353824.db2.gz CVJMFRHFKBWYRV-MRXNPFEDSA-N 1 3 304.478 2.990 20 0 DFADHO C[C@@H](O)CN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000656277622 431353830 /nfs/dbraw/zinc/35/38/30/431353830.db2.gz CVJMFRHFKBWYRV-MRXNPFEDSA-N 1 3 304.478 2.990 20 0 DFADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000660276657 431353844 /nfs/dbraw/zinc/35/38/44/431353844.db2.gz ROMXXAISLMYMNF-CEXWTWQISA-N 1 3 319.537 2.772 20 0 DFADHO CN1Cc2ccccc2[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000656515920 431415215 /nfs/dbraw/zinc/41/52/15/431415215.db2.gz LGQSIVNCRDWOJD-HXUWFJFHSA-N 1 3 322.456 2.827 20 0 DFADHO Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666950878 431418906 /nfs/dbraw/zinc/41/89/06/431418906.db2.gz ONRDEVWYNKUXJH-LJQANCHMSA-N 1 3 324.472 2.780 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000653525837 431419704 /nfs/dbraw/zinc/41/97/04/431419704.db2.gz INIBHCIDVBNFDU-OALUTQOASA-N 1 3 304.478 2.562 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000653525837 431419711 /nfs/dbraw/zinc/41/97/11/431419711.db2.gz INIBHCIDVBNFDU-OALUTQOASA-N 1 3 304.478 2.562 20 0 DFADHO Brc1csc(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666950946 431419737 /nfs/dbraw/zinc/41/97/37/431419737.db2.gz SDROMSVZPALGGI-LLVKDONJSA-N 1 3 301.253 2.742 20 0 DFADHO Cc1nn(-c2cccc(F)c2)cc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666955351 431422565 /nfs/dbraw/zinc/42/25/65/431422565.db2.gz BEKTUGCMKICCID-QGZVFWFLSA-N 1 3 314.408 2.552 20 0 DFADHO COc1ccc(CN[C@H]2CC23CC[NH2+]CC3)c(Cl)c1OC ZINC000666952105 431423162 /nfs/dbraw/zinc/42/31/62/431423162.db2.gz GDPGUQDHLXXVKZ-ZDUSSCGKSA-N 1 3 310.825 2.589 20 0 DFADHO Brc1ccsc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666953667 431423443 /nfs/dbraw/zinc/42/34/43/431423443.db2.gz DQTKVOHUPXYYFV-LLVKDONJSA-N 1 3 301.253 2.742 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCCNCC1 ZINC000666858147 431387061 /nfs/dbraw/zinc/38/70/61/431387061.db2.gz ZZVUCEFEXGNPGF-CVEARBPZSA-N 1 3 306.450 2.757 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000666858114 431387178 /nfs/dbraw/zinc/38/71/78/431387178.db2.gz XTBILPBLCGNHBC-ZBFHGGJFSA-N 1 3 303.450 2.698 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@H]3C[C@]34CCC[NH2+]C4)n2)cc1 ZINC000653490545 431399756 /nfs/dbraw/zinc/39/97/56/431399756.db2.gz MUOVMTUQCHHFMZ-QAPCUYQASA-N 1 3 312.417 2.655 20 0 DFADHO c1cn(-c2csc(CN[C@H]3CC[NH2+]C4(CCC4)C3)c2)cn1 ZINC000666997062 431438308 /nfs/dbraw/zinc/43/83/08/431438308.db2.gz UUGFLFIXFRUWML-ZDUSSCGKSA-N 1 3 302.447 2.698 20 0 DFADHO c1cn(-c2csc(C[NH2+][C@H]3CCNC4(CCC4)C3)c2)cn1 ZINC000666997062 431438317 /nfs/dbraw/zinc/43/83/17/431438317.db2.gz UUGFLFIXFRUWML-ZDUSSCGKSA-N 1 3 302.447 2.698 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1)[NH2+]CC12CC(C1)CN2 ZINC000663499191 431445210 /nfs/dbraw/zinc/44/52/10/431445210.db2.gz BWFYTTGVHQSNRE-NUYPLMSZSA-N 1 3 309.251 2.722 20 0 DFADHO CC(C)[C@H]([NH3+])CCNCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000663498102 431446613 /nfs/dbraw/zinc/44/66/13/431446613.db2.gz LGUOWJYPXMQGPN-ZWKOTPCHSA-N 1 3 306.450 2.707 20 0 DFADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@@H](N)C(C)C ZINC000663504284 431449253 /nfs/dbraw/zinc/44/92/53/431449253.db2.gz YGEZKFVHMWJLFL-JKSUJKDBSA-N 1 3 308.466 2.988 20 0 DFADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)NCC[C@@H]([NH3+])C(C)C ZINC000663504284 431449258 /nfs/dbraw/zinc/44/92/58/431449258.db2.gz YGEZKFVHMWJLFL-JKSUJKDBSA-N 1 3 308.466 2.988 20 0 DFADHO CCN1CCN(c2cccc(N[C@@H](C)[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000667030917 431452103 /nfs/dbraw/zinc/45/21/03/431452103.db2.gz BVTFQBCYEUMMEW-DLBZAZTESA-N 1 3 316.493 2.629 20 0 DFADHO [NH3+]Cc1ccc(-c2noc(-c3cc4c(s3)CCNC4)n2)cc1 ZINC000656562566 431430079 /nfs/dbraw/zinc/43/00/79/431430079.db2.gz LAIDESPMZIBURG-UHFFFAOYSA-N 1 3 312.398 2.570 20 0 DFADHO COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)n1 ZINC000663468777 431434046 /nfs/dbraw/zinc/43/40/46/431434046.db2.gz MRWNXFAIERBOCK-WBVHZDCISA-N 1 3 317.477 2.733 20 0 DFADHO COc1cccc(C[C@@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663468777 431434053 /nfs/dbraw/zinc/43/40/53/431434053.db2.gz MRWNXFAIERBOCK-WBVHZDCISA-N 1 3 317.477 2.733 20 0 DFADHO COc1cccc(C[C@@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663468777 431434058 /nfs/dbraw/zinc/43/40/58/431434058.db2.gz MRWNXFAIERBOCK-WBVHZDCISA-N 1 3 317.477 2.733 20 0 DFADHO CCc1ccc([C@@H]2CC[N@H+](C[C@H](O)CN(C)C(C)C)C2)cc1 ZINC000660623496 431519670 /nfs/dbraw/zinc/51/96/70/431519670.db2.gz NSLWETRGKQWHCG-RTBURBONSA-N 1 3 304.478 2.739 20 0 DFADHO CCc1ccc([C@@H]2CC[N@@H+](C[C@H](O)CN(C)C(C)C)C2)cc1 ZINC000660623496 431519675 /nfs/dbraw/zinc/51/96/75/431519675.db2.gz NSLWETRGKQWHCG-RTBURBONSA-N 1 3 304.478 2.739 20 0 DFADHO CC(C)(C)n1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000656785216 431522328 /nfs/dbraw/zinc/52/23/28/431522328.db2.gz KRRLQRRGUCDZAH-KRWDZBQOSA-N 1 3 304.482 2.850 20 0 DFADHO Cc1cccc2ncc(CN3CCC([C@H]4CCC[NH2+]C4)CC3)n21 ZINC000656785876 431523232 /nfs/dbraw/zinc/52/32/32/431523232.db2.gz KILQYBRYXMJMPO-KRWDZBQOSA-N 1 3 312.461 2.854 20 0 DFADHO CCCn1cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cn1 ZINC000647248800 431527526 /nfs/dbraw/zinc/52/75/26/431527526.db2.gz GJTZSSJKKIAYTQ-MOPGFXCFSA-N 1 3 312.461 2.728 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000650226429 431490970 /nfs/dbraw/zinc/49/09/70/431490970.db2.gz JGVQZHRSMUBABM-HNNXBMFYSA-N 1 3 300.406 2.655 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000650226430 431491318 /nfs/dbraw/zinc/49/13/18/431491318.db2.gz JGVQZHRSMUBABM-OAHLLOKOSA-N 1 3 300.406 2.655 20 0 DFADHO CC[C@@H](c1cccc(OC)c1)[N@H+](C)C[C@@H](O)CN(C)C(C)C ZINC000660558419 431491817 /nfs/dbraw/zinc/49/18/17/431491817.db2.gz SOPHBUZPSIMOCX-WMZOPIPTSA-N 1 3 308.466 2.779 20 0 DFADHO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H](O)CN(C)C(C)C ZINC000660558419 431491822 /nfs/dbraw/zinc/49/18/22/431491822.db2.gz SOPHBUZPSIMOCX-WMZOPIPTSA-N 1 3 308.466 2.779 20 0 DFADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000660657672 431534198 /nfs/dbraw/zinc/53/41/98/431534198.db2.gz RYKWXPNOWHTDIM-IBGZPJMESA-N 1 3 310.445 2.790 20 0 DFADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000660657672 431534204 /nfs/dbraw/zinc/53/42/04/431534204.db2.gz RYKWXPNOWHTDIM-IBGZPJMESA-N 1 3 310.445 2.790 20 0 DFADHO COc1ccc(COCC[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000660658389 431534514 /nfs/dbraw/zinc/53/45/14/431534514.db2.gz FUPMPRGRRZEKSZ-LJQANCHMSA-N 1 3 318.461 2.630 20 0 DFADHO COc1ccc(COCC[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000660658389 431534517 /nfs/dbraw/zinc/53/45/17/431534517.db2.gz FUPMPRGRRZEKSZ-LJQANCHMSA-N 1 3 318.461 2.630 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](CC(C)C)c2ccncc2)CC1 ZINC000647282543 431535102 /nfs/dbraw/zinc/53/51/02/431535102.db2.gz CTWVPZRXIBWUMK-IBGZPJMESA-N 1 3 318.509 2.786 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661309 431535413 /nfs/dbraw/zinc/53/54/13/431535413.db2.gz CFKZDEFYOGGNJG-NEWSRXKRSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661309 431535420 /nfs/dbraw/zinc/53/54/20/431535420.db2.gz CFKZDEFYOGGNJG-NEWSRXKRSA-N 1 3 302.462 2.569 20 0 DFADHO Cc1ccc2c(c1)C[N@@H+](C[C@H](O)CN(C)C(C)C)C(C)(C)C2 ZINC000660657956 431537235 /nfs/dbraw/zinc/53/72/35/431537235.db2.gz RUSIQPWDWNLCQJ-GOSISDBHSA-N 1 3 304.478 2.833 20 0 DFADHO Cc1ccc2c(c1)C[N@H+](C[C@H](O)CN(C)C(C)C)C(C)(C)C2 ZINC000660657956 431537239 /nfs/dbraw/zinc/53/72/39/431537239.db2.gz RUSIQPWDWNLCQJ-GOSISDBHSA-N 1 3 304.478 2.833 20 0 DFADHO CCCCNC(=O)CC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660679694 431546874 /nfs/dbraw/zinc/54/68/74/431546874.db2.gz SKCDYCUOCAFEOG-UHFFFAOYSA-N 1 3 317.477 2.547 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cnc(C4CC4)s3)C2)C1 ZINC000650707582 431652789 /nfs/dbraw/zinc/65/27/89/431652789.db2.gz IZGYNUHTKWAQHT-IIAWOOMASA-N 1 3 321.490 2.739 20 0 DFADHO COc1ccc(C)cc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706472 431654058 /nfs/dbraw/zinc/65/40/58/431654058.db2.gz LQHKEOLCBNBRAF-IEZWGBDMSA-N 1 3 318.461 2.722 20 0 DFADHO COc1ccc(C)cc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650706475 431655050 /nfs/dbraw/zinc/65/50/50/431655050.db2.gz LQHKEOLCBNBRAF-WDYCEAGBSA-N 1 3 318.461 2.722 20 0 DFADHO COc1ccc(Br)cc1CNCCC1(C[NH3+])CC1 ZINC000650712173 431658931 /nfs/dbraw/zinc/65/89/31/431658931.db2.gz UIPAGIDKIZEHGU-UHFFFAOYSA-N 1 3 313.239 2.676 20 0 DFADHO CC[C@H]1CN(Cc2ccc(C)cc2-c2ccnn2C)CC[C@H]1[NH3+] ZINC000647497757 431607200 /nfs/dbraw/zinc/60/72/00/431607200.db2.gz UDYAOCBVLVTWGF-MAUKXSAKSA-N 1 3 312.461 2.955 20 0 DFADHO CC[NH+](CC)CCCC1CCN(Cc2ccc(N)nc2)CC1 ZINC000647518374 431614695 /nfs/dbraw/zinc/61/46/95/431614695.db2.gz DDKPBOFKYUCHSJ-UHFFFAOYSA-N 1 3 304.482 2.828 20 0 DFADHO C(c1nc2c(s1)CCC2)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542756 431621541 /nfs/dbraw/zinc/62/15/41/431621541.db2.gz BKZNNZLHYLIWPV-ZIAGYGMSSA-N 1 3 305.491 2.843 20 0 DFADHO Cc1nn(C(C)C)cc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544350 431623529 /nfs/dbraw/zinc/62/35/29/431623529.db2.gz ZEXKGCFCAKFSBH-IAGOWNOFSA-N 1 3 304.482 2.984 20 0 DFADHO NC[C@@H]1C[N@H+](Cc2ccccc2C2CC2)CC12CCOCC2 ZINC000647545434 431624643 /nfs/dbraw/zinc/62/46/43/431624643.db2.gz HACJLUDKDYDHQE-QGZVFWFLSA-N 1 3 300.446 2.751 20 0 DFADHO NC[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)CC12CCOCC2 ZINC000647545434 431624647 /nfs/dbraw/zinc/62/46/47/431624647.db2.gz HACJLUDKDYDHQE-QGZVFWFLSA-N 1 3 300.446 2.751 20 0 DFADHO [NH3+]C[C@@H]1CN(Cc2ccccc2C2CC2)CC12CCOCC2 ZINC000647545434 431624653 /nfs/dbraw/zinc/62/46/53/431624653.db2.gz HACJLUDKDYDHQE-QGZVFWFLSA-N 1 3 300.446 2.751 20 0 DFADHO Cn1c2ccccc2nc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543336 431626194 /nfs/dbraw/zinc/62/61/94/431626194.db2.gz LEKLSIAYWNMVQC-JKSUJKDBSA-N 1 3 312.461 2.785 20 0 DFADHO C[C@H]1CNC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000647550717 431628187 /nfs/dbraw/zinc/62/81/87/431628187.db2.gz DQPQRXBUMRTICQ-CJNGLKHVSA-N 1 3 323.431 2.517 20 0 DFADHO C[C@H]1C[NH2+]C[C@@H](NC2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000647550717 431628190 /nfs/dbraw/zinc/62/81/90/431628190.db2.gz DQPQRXBUMRTICQ-CJNGLKHVSA-N 1 3 323.431 2.517 20 0 DFADHO COc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1F ZINC000650722455 431665569 /nfs/dbraw/zinc/66/55/69/431665569.db2.gz UGZHDFAIJZPIRA-QGPMSJSTSA-N 1 3 322.424 2.695 20 0 DFADHO COc1cc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1C ZINC000650724171 431667677 /nfs/dbraw/zinc/66/76/77/431667677.db2.gz ZLFDTOKNPUSSLK-ZHALLVOQSA-N 1 3 318.461 2.864 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cnn3c2CCC3)C1 ZINC000657312914 431667943 /nfs/dbraw/zinc/66/79/43/431667943.db2.gz MCYZHWSOXVHYKG-IYBDPMFKSA-N 1 3 304.482 2.677 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cnn3c2CCC3)C1 ZINC000657312914 431667947 /nfs/dbraw/zinc/66/79/47/431667947.db2.gz MCYZHWSOXVHYKG-IYBDPMFKSA-N 1 3 304.482 2.677 20 0 DFADHO COCc1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650724139 431668651 /nfs/dbraw/zinc/66/86/51/431668651.db2.gz YQOOQCVMCPSADF-QRVBRYPASA-N 1 3 318.461 2.694 20 0 DFADHO CC1CC[NH+](CCCCNCc2ccnn2CC2CC2)CC1 ZINC000657313474 431670315 /nfs/dbraw/zinc/67/03/15/431670315.db2.gz SEIXTPWLJUAEDX-UHFFFAOYSA-N 1 3 304.482 2.895 20 0 DFADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000657337466 431683250 /nfs/dbraw/zinc/68/32/50/431683250.db2.gz VSVROEZJAXHPTB-FUHWJXTLSA-N 1 3 320.477 2.922 20 0 DFADHO C[C@@H](NCCC1CC[NH2+]CC1)c1ncc(Br)s1 ZINC000650762743 431683947 /nfs/dbraw/zinc/68/39/47/431683947.db2.gz IXFWVGQKBGDTGF-SECBINFHSA-N 1 3 318.284 2.946 20 0 DFADHO CCC[NH+]1CCC(CNCc2c(C3CCC3)cnn2C)CC1 ZINC000657346496 431688897 /nfs/dbraw/zinc/68/88/97/431688897.db2.gz DNANIUZCGXBQLJ-UHFFFAOYSA-N 1 3 304.482 2.899 20 0 DFADHO Cn1c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc2cccc(Cl)c21 ZINC000647795387 431689099 /nfs/dbraw/zinc/68/90/99/431689099.db2.gz PLZBJVWSNJQSOX-JHJVBQTASA-N 1 3 318.852 2.704 20 0 DFADHO Fc1cccc(N2CCCC2)c1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647797027 431692133 /nfs/dbraw/zinc/69/21/33/431692133.db2.gz VJKMNPGJDULWKY-ARFHVFGLSA-N 1 3 317.452 2.904 20 0 DFADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000647802470 431694840 /nfs/dbraw/zinc/69/48/40/431694840.db2.gz NOPNSMBXACRWIR-CQSZACIVSA-N 1 3 311.429 2.698 20 0 DFADHO C[C@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)[C@@H]1CCCNC1 ZINC000647801620 431694977 /nfs/dbraw/zinc/69/49/77/431694977.db2.gz ZRZWYHUJDWDORE-RRFJBIMHSA-N 1 3 306.475 2.908 20 0 DFADHO C[C@H](NCC[C@@H]1CSc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000647801620 431694981 /nfs/dbraw/zinc/69/49/81/431694981.db2.gz ZRZWYHUJDWDORE-RRFJBIMHSA-N 1 3 306.475 2.908 20 0 DFADHO CC[C@@H]1CN(CCC(=O)Nc2cccc(F)c2C)CC[C@H]1[NH3+] ZINC000647936285 431735602 /nfs/dbraw/zinc/73/56/02/431735602.db2.gz AUWAIHCCACIWGY-UKRRQHHQSA-N 1 3 307.413 2.522 20 0 DFADHO CC[C@@H]1CN(CCC(=O)Nc2ccccc2SC)CC[C@@H]1[NH3+] ZINC000647938301 431740775 /nfs/dbraw/zinc/74/07/75/431740775.db2.gz JHRVZKJKPXMLSW-KGLIPLIRSA-N 1 3 321.490 2.796 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000661128603 431743796 /nfs/dbraw/zinc/74/37/96/431743796.db2.gz KRQQBSDYUVICTO-KRWDZBQOSA-N 1 3 321.509 2.680 20 0 DFADHO Cc1c(Br)cncc1CNCC1=CC[N@H+](C)CC1 ZINC000657427824 431743986 /nfs/dbraw/zinc/74/39/86/431743986.db2.gz USQXGXKLCUBMBO-UHFFFAOYSA-N 1 3 310.239 2.504 20 0 DFADHO Cc1c(Br)cncc1CNCC1=CC[N@@H+](C)CC1 ZINC000657427824 431743991 /nfs/dbraw/zinc/74/39/91/431743991.db2.gz USQXGXKLCUBMBO-UHFFFAOYSA-N 1 3 310.239 2.504 20 0 DFADHO CC[N@H+](C[C@H](O)CN(C)C(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000647960384 431750507 /nfs/dbraw/zinc/75/05/07/431750507.db2.gz WCQABINCEMSYII-DOTOQJQBSA-N 1 3 308.466 2.779 20 0 DFADHO CC[N@@H+](C[C@H](O)CN(C)C(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000647960384 431750512 /nfs/dbraw/zinc/75/05/12/431750512.db2.gz WCQABINCEMSYII-DOTOQJQBSA-N 1 3 308.466 2.779 20 0 DFADHO CC[N@H+](C[C@@H](O)CN(C)C(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000647960386 431751752 /nfs/dbraw/zinc/75/17/52/431751752.db2.gz WCQABINCEMSYII-RDJZCZTQSA-N 1 3 308.466 2.779 20 0 DFADHO CC[N@@H+](C[C@@H](O)CN(C)C(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000647960386 431751757 /nfs/dbraw/zinc/75/17/57/431751757.db2.gz WCQABINCEMSYII-RDJZCZTQSA-N 1 3 308.466 2.779 20 0 DFADHO Cc1ccc(C[C@@H]2CCCN2C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000647964002 431757394 /nfs/dbraw/zinc/75/73/94/431757394.db2.gz MIARARXXYSDPPC-RBUKOAKNSA-N 1 3 304.478 2.703 20 0 DFADHO Cc1ccc(C[C@@H]2CCCN2C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000647964002 431757398 /nfs/dbraw/zinc/75/73/98/431757398.db2.gz MIARARXXYSDPPC-RBUKOAKNSA-N 1 3 304.478 2.703 20 0 DFADHO CN(C)CCC[N@H+](C)CCNc1nccc2cc(F)ccc21 ZINC000664246357 431716272 /nfs/dbraw/zinc/71/62/72/431716272.db2.gz YRVJLXIOCFLHFS-UHFFFAOYSA-N 1 3 304.413 2.669 20 0 DFADHO CN(C)CCC[N@@H+](C)CCNc1nccc2cc(F)ccc21 ZINC000664246357 431716280 /nfs/dbraw/zinc/71/62/80/431716280.db2.gz YRVJLXIOCFLHFS-UHFFFAOYSA-N 1 3 304.413 2.669 20 0 DFADHO c1cc(CN(C[C@H]2CC[NH2+]C2)C2CCCC2)cc2c1OCC2 ZINC000647884414 431717707 /nfs/dbraw/zinc/71/77/07/431717707.db2.gz MNSITIOCDKWRAK-INIZCTEOSA-N 1 3 300.446 2.976 20 0 DFADHO CC(C)Cn1nccc1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000648035747 431794500 /nfs/dbraw/zinc/79/45/00/431794500.db2.gz OIPOVLFGNZZMHH-QGZVFWFLSA-N 1 3 304.482 2.703 20 0 DFADHO COc1ccc([C@H](C)CN2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000648072012 431809217 /nfs/dbraw/zinc/80/92/17/431809217.db2.gz GTUCVHXPFGTSCM-MRXNPFEDSA-N 1 3 318.461 2.595 20 0 DFADHO Cc1ccccc1N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647988485 431766822 /nfs/dbraw/zinc/76/68/22/431766822.db2.gz QMJNOUKIURPZCN-UHFFFAOYSA-N 1 3 301.478 2.897 20 0 DFADHO NCc1cc(NC(=O)C2CCC([NH3+])CC2)cc(C(F)(F)F)c1 ZINC000648128766 431823748 /nfs/dbraw/zinc/82/37/48/431823748.db2.gz OMDIPQCFZLWWKY-UHFFFAOYSA-N 1 3 315.339 2.620 20 0 DFADHO Cc1ccncc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613902 431824985 /nfs/dbraw/zinc/82/49/85/431824985.db2.gz WEMHROLAWWNXQD-UHFFFAOYSA-N 1 3 310.445 2.787 20 0 DFADHO c1cc(CN2CCC(C[NH2+][C@H]3CCCSC3)CC2)ccn1 ZINC000657613944 431825092 /nfs/dbraw/zinc/82/50/92/431825092.db2.gz YDBKGSWAIIJCEM-KRWDZBQOSA-N 1 3 305.491 2.779 20 0 DFADHO c1cc(CN2CCC(C[NH2+]C3CCSCC3)CC2)ccn1 ZINC000657612240 431825944 /nfs/dbraw/zinc/82/59/44/431825944.db2.gz KBMSUYBSCFURFV-UHFFFAOYSA-N 1 3 305.491 2.779 20 0 DFADHO CN(C)C[C@H](NC(=O)CCC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000648154110 431827267 /nfs/dbraw/zinc/82/72/67/431827267.db2.gz ZITAHDNRDKCKKS-AWEZNQCLSA-N 1 3 311.857 2.576 20 0 DFADHO Cc1cccc2c1CC[C@@H]2[NH2+]CCCN1CCCN(C)CC1 ZINC000128266442 281270061 /nfs/dbraw/zinc/27/00/61/281270061.db2.gz UIKPIPCDUUZFKP-IBGZPJMESA-N 1 3 301.478 2.600 20 0 DFADHO Cc1ccccc1C1(O)CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000364052214 281335865 /nfs/dbraw/zinc/33/58/65/281335865.db2.gz BCTQHTJLPIHFIV-KRWDZBQOSA-N 1 3 302.462 2.763 20 0 DFADHO CCc1ccc([C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)N(C)C)cc1 ZINC000236981097 288563032 /nfs/dbraw/zinc/56/30/32/288563032.db2.gz WYNFWSHFZKKBKM-HKUYNNGSSA-N 1 3 317.477 2.500 20 0 DFADHO C[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)N1[C@H](C)CC[C@H]1C ZINC000153788171 289060630 /nfs/dbraw/zinc/06/06/30/289060630.db2.gz WRAAFQLGGVWTBY-ZACQAIPSSA-N 1 3 323.525 2.828 20 0 DFADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000363335387 289079131 /nfs/dbraw/zinc/07/91/31/289079131.db2.gz PLIKQSNIZUPAQK-RHSMWYFYSA-N 1 3 323.506 2.587 20 0 DFADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000363335387 289079133 /nfs/dbraw/zinc/07/91/33/289079133.db2.gz PLIKQSNIZUPAQK-RHSMWYFYSA-N 1 3 323.506 2.587 20 0 DFADHO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000278788920 290055193 /nfs/dbraw/zinc/05/51/93/290055193.db2.gz YPARTIQMDVFQCJ-MPGHIAIKSA-N 1 3 306.450 2.703 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@@H]1C ZINC000495095917 299903206 /nfs/dbraw/zinc/90/32/06/299903206.db2.gz YQZSIGFKHHEZJS-SPYBWZPUSA-N 1 3 302.462 2.777 20 0 DFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)cc1F ZINC000154363069 295298474 /nfs/dbraw/zinc/29/84/74/295298474.db2.gz JUUGQNWXCMMNOO-CQSZACIVSA-N 1 3 311.420 2.643 20 0 DFADHO Cc1ccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)c(C)c1 ZINC000154407833 295299726 /nfs/dbraw/zinc/29/97/26/295299726.db2.gz ZUQFPQSWZXGJKG-GOSISDBHSA-N 1 3 303.494 2.982 20 0 DFADHO CCOc1ccccc1[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154424918 295300171 /nfs/dbraw/zinc/30/01/71/295300171.db2.gz PNTAVKDGXYGYDS-KRWDZBQOSA-N 1 3 319.493 2.764 20 0 DFADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000154445766 295300403 /nfs/dbraw/zinc/30/04/03/295300403.db2.gz DHAHCQGPYROVAY-HNAYVOBHSA-N 1 3 319.468 2.676 20 0 DFADHO CCOc1ccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000154435942 295300492 /nfs/dbraw/zinc/30/04/92/295300492.db2.gz QJACZRGKSFJTGW-KRWDZBQOSA-N 1 3 319.493 2.764 20 0 DFADHO COc1cccc(C(C)CC(=O)NCC2(C)CCC[NH2+]C2)c1 ZINC000273009808 295324481 /nfs/dbraw/zinc/32/44/81/295324481.db2.gz ONOOYKOYMRAVEZ-KDOFPFPSSA-N 1 3 304.434 2.695 20 0 DFADHO CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000158147301 295358796 /nfs/dbraw/zinc/35/87/96/295358796.db2.gz QYFGGBXMYSCVGU-GOEBONIOSA-N 1 3 304.434 2.840 20 0 DFADHO CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000158147301 295358798 /nfs/dbraw/zinc/35/87/98/295358798.db2.gz QYFGGBXMYSCVGU-GOEBONIOSA-N 1 3 304.434 2.840 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C)C2)cc1NC(C)=O ZINC000158217422 295360388 /nfs/dbraw/zinc/36/03/88/295360388.db2.gz SLPIWHPDRJSDDO-HIFRSBDPSA-N 1 3 319.449 2.646 20 0 DFADHO C[C@@H]1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000397489853 295487976 /nfs/dbraw/zinc/48/79/76/295487976.db2.gz HHKCPTOOVSWZJH-AEFFLSMTSA-N 1 3 302.462 2.792 20 0 DFADHO Cc1ccc([C@H](C)NCC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000411462533 295541234 /nfs/dbraw/zinc/54/12/34/295541234.db2.gz QWQXHIFQUUALBD-INIZCTEOSA-N 1 3 317.477 2.635 20 0 DFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439831012 297139760 /nfs/dbraw/zinc/13/97/60/297139760.db2.gz BKTRQRJBHQVFQI-JFIYKMOQSA-N 1 3 321.509 2.773 20 0 DFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439831012 297139763 /nfs/dbraw/zinc/13/97/63/297139763.db2.gz BKTRQRJBHQVFQI-JFIYKMOQSA-N 1 3 321.509 2.773 20 0 DFADHO CCOc1ccccc1OCCN1CCC(C[NH+](C)C)CC1 ZINC000441209012 297175769 /nfs/dbraw/zinc/17/57/69/297175769.db2.gz YMKJEPIXAXVRBX-UHFFFAOYSA-N 1 3 306.450 2.738 20 0 DFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2c(s1)CCC2 ZINC000442877006 297209240 /nfs/dbraw/zinc/20/92/40/297209240.db2.gz QLJLPXDDWVEUMU-CQSZACIVSA-N 1 3 321.534 2.913 20 0 DFADHO CCc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443056538 297214064 /nfs/dbraw/zinc/21/40/64/297214064.db2.gz CWAFHYYLUJZBLR-ZBFHGGJFSA-N 1 3 303.450 2.637 20 0 DFADHO Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)c(C)c1 ZINC000443062689 297214350 /nfs/dbraw/zinc/21/43/50/297214350.db2.gz UZXKYCUBZUIFBG-IAGOWNOFSA-N 1 3 317.477 3.000 20 0 DFADHO [NH3+]CC[C@@H]1CCCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000443075134 297215308 /nfs/dbraw/zinc/21/53/08/297215308.db2.gz QYPCDGYSZJWZHV-BBRMVZONSA-N 1 3 321.852 2.506 20 0 DFADHO C[N@H+](Cc1ccccc1NC(=O)[C@H]1CCN1)C1CCCCC1 ZINC000444189420 297232445 /nfs/dbraw/zinc/23/24/45/297232445.db2.gz CXTXBYWJYMGNCZ-QGZVFWFLSA-N 1 3 301.434 2.752 20 0 DFADHO C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CCN1)C1CCCCC1 ZINC000444189420 297232446 /nfs/dbraw/zinc/23/24/46/297232446.db2.gz CXTXBYWJYMGNCZ-QGZVFWFLSA-N 1 3 301.434 2.752 20 0 DFADHO Cc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c(C)o1 ZINC000447572498 297308855 /nfs/dbraw/zinc/30/88/55/297308855.db2.gz CGMNZKIVDMMLFN-VHSSKADRSA-N 1 3 306.450 2.925 20 0 DFADHO C[C@H](NCCOCC[NH+](C)C)c1cccc(OC(F)(F)F)c1 ZINC000447591543 297309932 /nfs/dbraw/zinc/30/99/32/297309932.db2.gz DLIBMIWSIUAKOK-LBPRGKRZSA-N 1 3 320.355 2.814 20 0 DFADHO C[NH+](C)CCOCCN[C@H]1CCCOc2c(Cl)cccc21 ZINC000447599283 297310232 /nfs/dbraw/zinc/31/02/32/297310232.db2.gz JVIYJBCJQWVIIN-HNNXBMFYSA-N 1 3 312.841 2.722 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](CC[C@@H](C)c2ccccc2)CC1 ZINC000447736635 297314988 /nfs/dbraw/zinc/31/49/88/297314988.db2.gz OANNERPSCWQLAY-IAGOWNOFSA-N 1 3 304.478 2.957 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc3cccnc3o2)C1 ZINC000449039563 297395688 /nfs/dbraw/zinc/39/56/88/297395688.db2.gz ZWEBUHBHTZCUHM-INIZCTEOSA-N 1 3 317.433 2.761 20 0 DFADHO CN1CCN(CC2(C)CC[NH+](CC3=CCCCC3)CC2)CC1 ZINC000450746213 297680449 /nfs/dbraw/zinc/68/04/49/297680449.db2.gz QWNAKYASFDBPMB-UHFFFAOYSA-N 1 3 305.510 2.836 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ncccc2C)[C@H](C)C1 ZINC000453306799 298082299 /nfs/dbraw/zinc/08/22/99/298082299.db2.gz JFTKTEZJBNBLOH-IEBWSBKVSA-N 1 3 319.493 2.659 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ncccc2C)[C@H](C)C1 ZINC000453306799 298082301 /nfs/dbraw/zinc/08/23/01/298082301.db2.gz JFTKTEZJBNBLOH-IEBWSBKVSA-N 1 3 319.493 2.659 20 0 DFADHO O[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000453389505 298089342 /nfs/dbraw/zinc/08/93/42/298089342.db2.gz RKDZAJIEBFIQOG-IYWMVGAKSA-N 1 3 314.473 2.933 20 0 DFADHO O[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000453389505 298089345 /nfs/dbraw/zinc/08/93/45/298089345.db2.gz RKDZAJIEBFIQOG-IYWMVGAKSA-N 1 3 314.473 2.933 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000453392148 298089410 /nfs/dbraw/zinc/08/94/10/298089410.db2.gz ZHOBZMBTBPTZHD-HHXXYDBFSA-N 1 3 320.477 2.829 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ccc(C)cn2)[C@@H](C)C1 ZINC000453439153 298095826 /nfs/dbraw/zinc/09/58/26/298095826.db2.gz VWAKJFRWCRNQEN-PKOBYXMFSA-N 1 3 319.493 2.659 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ccc(C)cn2)[C@@H](C)C1 ZINC000453439153 298095829 /nfs/dbraw/zinc/09/58/29/298095829.db2.gz VWAKJFRWCRNQEN-PKOBYXMFSA-N 1 3 319.493 2.659 20 0 DFADHO C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000121976976 298152908 /nfs/dbraw/zinc/15/29/08/298152908.db2.gz QBPHECZQDSFGSZ-WCXIOVBPSA-N 1 3 309.498 2.628 20 0 DFADHO C[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000121976976 298152909 /nfs/dbraw/zinc/15/29/09/298152909.db2.gz QBPHECZQDSFGSZ-WCXIOVBPSA-N 1 3 309.498 2.628 20 0 DFADHO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000370633505 298873680 /nfs/dbraw/zinc/87/36/80/298873680.db2.gz HHUBBTRWZMMKBF-CABCVRRESA-N 1 3 313.555 2.665 20 0 DFADHO Cc1cc(NC(=O)[C@H](C2CC2)N2CCCC2)ccc1C[NH+](C)C ZINC000458274966 298897400 /nfs/dbraw/zinc/89/74/00/298897400.db2.gz XZKJVDYXUXJSMT-SFHVURJKSA-N 1 3 315.461 2.870 20 0 DFADHO CC(C)N1CCC([NH2+][C@@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000497047275 300152277 /nfs/dbraw/zinc/15/22/77/300152277.db2.gz QUWWCYREUSNCAS-QGZVFWFLSA-N 1 3 319.449 2.569 20 0 DFADHO COC(=O)Nc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000497106863 300162514 /nfs/dbraw/zinc/16/25/14/300162514.db2.gz MBWZURQKKKTZLL-GOEBONIOSA-N 1 3 305.422 2.515 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC000497169279 300172252 /nfs/dbraw/zinc/17/22/52/300172252.db2.gz UBXQTFKPEMALKI-HUUCEWRRSA-N 1 3 313.486 2.706 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC000497169279 300172253 /nfs/dbraw/zinc/17/22/53/300172253.db2.gz UBXQTFKPEMALKI-HUUCEWRRSA-N 1 3 313.486 2.706 20 0 DFADHO C[C@@H]([NH2+]CCc1ccccc1Br)[C@H]1CCCNC1 ZINC000515053313 300287037 /nfs/dbraw/zinc/28/70/37/300287037.db2.gz MXUHBPQAOQQNBN-OCCSQVGLSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H](NCCc1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000515053313 300287040 /nfs/dbraw/zinc/28/70/40/300287040.db2.gz MXUHBPQAOQQNBN-OCCSQVGLSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H](CC[NH2+]C[C@H](O)Cc1ccc(F)cc1)N1CCCCC1 ZINC000515054990 300287451 /nfs/dbraw/zinc/28/74/51/300287451.db2.gz DXCRPDNQMRMWTQ-MAUKXSAKSA-N 1 3 308.441 2.583 20 0 DFADHO C[C@H]1CCN(CCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000515062653 300288345 /nfs/dbraw/zinc/28/83/45/300288345.db2.gz KGEPKMCCISGBSM-RDJZCZTQSA-N 1 3 309.498 2.522 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000515074777 300289501 /nfs/dbraw/zinc/28/95/01/300289501.db2.gz YHVJTXMGJJNURU-ZWKOTPCHSA-N 1 3 312.461 2.973 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000515074777 300289504 /nfs/dbraw/zinc/28/95/04/300289504.db2.gz YHVJTXMGJJNURU-ZWKOTPCHSA-N 1 3 312.461 2.973 20 0 DFADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)CC(F)(F)F ZINC000515165949 300292865 /nfs/dbraw/zinc/29/28/65/300292865.db2.gz PZMVMZQUVBKZQX-OAHLLOKOSA-N 1 3 316.367 2.685 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000516491999 300345463 /nfs/dbraw/zinc/34/54/63/300345463.db2.gz QCIHVKWOIVLBDX-BBWFWOEESA-N 1 3 305.441 2.962 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000516491999 300345466 /nfs/dbraw/zinc/34/54/66/300345466.db2.gz QCIHVKWOIVLBDX-BBWFWOEESA-N 1 3 305.441 2.962 20 0 DFADHO CCOC[C@H](O)CNCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000517025138 300378039 /nfs/dbraw/zinc/37/80/39/300378039.db2.gz UFBYOCGABZRCPW-VQIMIIECSA-N 1 3 320.477 2.548 20 0 DFADHO CCOC[C@H](O)CNCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000517025138 300378042 /nfs/dbraw/zinc/37/80/42/300378042.db2.gz UFBYOCGABZRCPW-VQIMIIECSA-N 1 3 320.477 2.548 20 0 DFADHO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCNC12CCC2 ZINC000530178654 301026237 /nfs/dbraw/zinc/02/62/37/301026237.db2.gz PKNPHRQYZMPUIV-GUYCJALGSA-N 1 3 302.418 2.611 20 0 DFADHO COc1cccc(C[C@H]([NH2+][C@H]2CCNC23CCC3)C2CC2)c1 ZINC000530224319 301031947 /nfs/dbraw/zinc/03/19/47/301031947.db2.gz WBVGTOUEAODRRR-ROUUACIJSA-N 1 3 300.446 2.891 20 0 DFADHO C[C@@H]1CCN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000531728253 301106884 /nfs/dbraw/zinc/10/68/84/301106884.db2.gz KMOOMZDTRPFIOR-QWFCFKBJSA-N 1 3 315.505 2.971 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000531785872 301110383 /nfs/dbraw/zinc/11/03/83/301110383.db2.gz XUZPFIBQKMDIGO-SJLPKXTDSA-N 1 3 301.478 2.964 20 0 DFADHO OC1CC[NH+](CCCN[C@@H]2CCc3c2cccc3Cl)CC1 ZINC000532208297 301136419 /nfs/dbraw/zinc/13/64/19/301136419.db2.gz FYSLQHJUHMHHLQ-QGZVFWFLSA-N 1 3 308.853 2.764 20 0 DFADHO CN1CCCN(CCC[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000532215497 301137016 /nfs/dbraw/zinc/13/70/16/301137016.db2.gz ZYTGSSCHXQGTIT-GOSISDBHSA-N 1 3 321.896 2.945 20 0 DFADHO COc1cc(C)ccc1[C@@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000532459730 301154334 /nfs/dbraw/zinc/15/43/34/301154334.db2.gz ZRVIOPWTWNPMII-MRXNPFEDSA-N 1 3 319.493 2.680 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000534261965 301222013 /nfs/dbraw/zinc/22/20/13/301222013.db2.gz VQNYOXXOXAMBII-SFHVURJKSA-N 1 3 321.896 2.945 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000534315751 301227477 /nfs/dbraw/zinc/22/74/77/301227477.db2.gz VEQNCOBPPAHTKY-CVEARBPZSA-N 1 3 310.482 2.915 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000534315751 301227479 /nfs/dbraw/zinc/22/74/79/301227479.db2.gz VEQNCOBPPAHTKY-CVEARBPZSA-N 1 3 310.482 2.915 20 0 DFADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000536857492 301291686 /nfs/dbraw/zinc/29/16/86/301291686.db2.gz LPNYYEYFIQENNN-SOLBZPMBSA-N 1 3 312.498 2.671 20 0 DFADHO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCCCN2CCN(C)CC2)o1 ZINC000537237864 301296908 /nfs/dbraw/zinc/29/69/08/301296908.db2.gz UCSKTUFANRVGNI-NVXWUHKLSA-N 1 3 305.466 2.520 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000539688469 301346695 /nfs/dbraw/zinc/34/66/95/301346695.db2.gz JOCKQCAWLGMGLO-CRAIPNDOSA-N 1 3 319.518 2.988 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000539688469 301346698 /nfs/dbraw/zinc/34/66/98/301346698.db2.gz JOCKQCAWLGMGLO-CRAIPNDOSA-N 1 3 319.518 2.988 20 0 DFADHO CC(C)[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)cn1 ZINC000541849723 301398757 /nfs/dbraw/zinc/39/87/57/301398757.db2.gz HQXFDTWMFBIDGC-SFHVURJKSA-N 1 3 322.472 2.535 20 0 DFADHO C[NH+]1CCC(C)(CNCc2cnc(-c3ccccc3)nc2)CC1 ZINC000543729277 301435097 /nfs/dbraw/zinc/43/50/97/301435097.db2.gz UTTZTXKGKIHBEG-UHFFFAOYSA-N 1 3 310.445 2.965 20 0 DFADHO CC1(C)CC(NC[C@@H](O)Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000556419912 301796074 /nfs/dbraw/zinc/79/60/74/301796074.db2.gz PZHXTDJRJFPKKG-INIZCTEOSA-N 1 3 308.441 2.628 20 0 DFADHO CCOC[C@@H](O)CNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000562986636 302021564 /nfs/dbraw/zinc/02/15/64/302021564.db2.gz HORQDFGRAFOHSK-IBGZPJMESA-N 1 3 320.477 2.550 20 0 DFADHO C[C@H](NCCc1nc(-c2ccccn2)cs1)[C@H]1CCC[NH2+]C1 ZINC000563446113 302073890 /nfs/dbraw/zinc/07/38/90/302073890.db2.gz WBHNJSKKDCOLEK-KBPBESRZSA-N 1 3 316.474 2.725 20 0 DFADHO C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)[C@H]1CCCNC1 ZINC000563446113 302073892 /nfs/dbraw/zinc/07/38/92/302073892.db2.gz WBHNJSKKDCOLEK-KBPBESRZSA-N 1 3 316.474 2.725 20 0 DFADHO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000563492004 302076816 /nfs/dbraw/zinc/07/68/16/302076816.db2.gz CJOWTQBCWDYXPB-TWMKSMIVSA-N 1 3 309.498 2.581 20 0 DFADHO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000563492004 302076817 /nfs/dbraw/zinc/07/68/17/302076817.db2.gz CJOWTQBCWDYXPB-TWMKSMIVSA-N 1 3 309.498 2.581 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2C[C@H](F)CN2Cc2cccs2)C1 ZINC000564099393 302119258 /nfs/dbraw/zinc/11/92/58/302119258.db2.gz JXDGKRPFXBTBNP-YJNKXOJESA-N 1 3 311.470 2.520 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2C[C@H](F)CN2Cc2cccs2)C1 ZINC000564099391 302119439 /nfs/dbraw/zinc/11/94/39/302119439.db2.gz JXDGKRPFXBTBNP-XGUBFFRZSA-N 1 3 311.470 2.520 20 0 DFADHO CC(=O)Nc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000564823846 302161187 /nfs/dbraw/zinc/16/11/87/302161187.db2.gz NDGHXDFDQATXJC-QRVBRYPASA-N 1 3 315.461 2.698 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000565226734 302210244 /nfs/dbraw/zinc/21/02/44/302210244.db2.gz MQXYWBDYDMGAJO-CABCVRRESA-N 1 3 316.474 2.997 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCCc2nc(-c3ccncc3)cs2)C1 ZINC000565226734 302210247 /nfs/dbraw/zinc/21/02/47/302210247.db2.gz MQXYWBDYDMGAJO-CABCVRRESA-N 1 3 316.474 2.997 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000565661276 302235903 /nfs/dbraw/zinc/23/59/03/302235903.db2.gz RJJGBHSDOBRWNO-QAPCUYQASA-N 1 3 321.509 2.617 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000565661276 302235906 /nfs/dbraw/zinc/23/59/06/302235906.db2.gz RJJGBHSDOBRWNO-QAPCUYQASA-N 1 3 321.509 2.617 20 0 DFADHO CCN(C(=O)CCCC[NH3+])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000565890558 302247405 /nfs/dbraw/zinc/24/74/05/302247405.db2.gz UJYLNBGYVVPHAP-AEFFLSMTSA-N 1 3 317.477 2.799 20 0 DFADHO Cc1ncc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1C ZINC000566926757 302323438 /nfs/dbraw/zinc/32/34/38/302323438.db2.gz PCZVCEPHQQCPMB-YOEHRIQHSA-N 1 3 318.490 2.963 20 0 DFADHO Cc1ncc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1C ZINC000566926757 302323439 /nfs/dbraw/zinc/32/34/39/302323439.db2.gz PCZVCEPHQQCPMB-YOEHRIQHSA-N 1 3 318.490 2.963 20 0 DFADHO Cc1ncc(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)n1C ZINC000566926757 302323440 /nfs/dbraw/zinc/32/34/40/302323440.db2.gz PCZVCEPHQQCPMB-YOEHRIQHSA-N 1 3 318.490 2.963 20 0 DFADHO COC1CCN(C2(C[NH2+][C@H]3CCCCC[C@@H]3N)CCCC2)CC1 ZINC000567579876 302369537 /nfs/dbraw/zinc/36/95/37/302369537.db2.gz OWKVXHUZBCTDCZ-ROUUACIJSA-N 1 3 323.525 2.660 20 0 DFADHO C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000567897023 302397751 /nfs/dbraw/zinc/39/77/51/302397751.db2.gz UJJOYERGEYBLAC-HBMCJLEFSA-N 1 3 324.468 2.927 20 0 DFADHO C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000567897023 302397754 /nfs/dbraw/zinc/39/77/54/302397754.db2.gz UJJOYERGEYBLAC-HBMCJLEFSA-N 1 3 324.468 2.927 20 0 DFADHO CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000567897023 302397758 /nfs/dbraw/zinc/39/77/58/302397758.db2.gz UJJOYERGEYBLAC-HBMCJLEFSA-N 1 3 324.468 2.927 20 0 DFADHO Cc1ccccc1CCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180958900 316047485 /nfs/dbraw/zinc/04/74/85/316047485.db2.gz RCSQOQQSOGWCIW-UHFFFAOYSA-N 1 3 317.521 2.885 20 0 DFADHO Cc1ccccc1CCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180958900 316047489 /nfs/dbraw/zinc/04/74/89/316047489.db2.gz RCSQOQQSOGWCIW-UHFFFAOYSA-N 1 3 317.521 2.885 20 0 DFADHO CCO[C@@H]1C[C@@H](NCc2ccccc2OCC[NH+](C)C)C1(C)C ZINC000181627196 316065753 /nfs/dbraw/zinc/06/57/53/316065753.db2.gz NAWQQRMDSHCQGU-QZTJIDSGSA-N 1 3 320.477 2.920 20 0 DFADHO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000321067984 316255968 /nfs/dbraw/zinc/25/59/68/316255968.db2.gz BZXCFMJAFLVPAQ-SFHVURJKSA-N 1 3 309.413 2.574 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000321941629 316257777 /nfs/dbraw/zinc/25/77/77/316257777.db2.gz BJAMSVMEHQHPEW-MSOLQXFVSA-N 1 3 317.477 2.718 20 0 DFADHO COc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1OCC(C)C ZINC000414794759 316660053 /nfs/dbraw/zinc/66/00/53/316660053.db2.gz MCTSXQBCVCRDFE-HZPDHXFCSA-N 1 3 306.450 2.947 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cnc(-c2ccncc2)s1 ZINC000414793532 316660142 /nfs/dbraw/zinc/66/01/42/316660142.db2.gz DPCCSIUXSRTUQX-HIFRSBDPSA-N 1 3 302.447 2.812 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414800857 316662690 /nfs/dbraw/zinc/66/26/90/316662690.db2.gz LMWSVINIJDFEPM-QXAKKESOSA-N 1 3 318.461 2.852 20 0 DFADHO COC[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1CCCC1 ZINC000446757484 317022223 /nfs/dbraw/zinc/02/22/23/317022223.db2.gz BAKYFCCPJVGUOS-LJQANCHMSA-N 1 3 320.477 2.922 20 0 DFADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000450097938 317059783 /nfs/dbraw/zinc/05/97/83/317059783.db2.gz RQZDFGOLPGDWOI-NJAFHUGGSA-N 1 3 321.509 2.628 20 0 DFADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000450097938 317059786 /nfs/dbraw/zinc/05/97/86/317059786.db2.gz RQZDFGOLPGDWOI-NJAFHUGGSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450376139 317087572 /nfs/dbraw/zinc/08/75/72/317087572.db2.gz ZTGPEJOMBZMOGC-DKISHCGFSA-N 1 3 302.462 2.867 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000450497106 317098397 /nfs/dbraw/zinc/09/83/97/317098397.db2.gz CDCTWYTYCUUSFJ-NXWXRZEISA-N 1 3 302.462 2.567 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000450497106 317098399 /nfs/dbraw/zinc/09/83/99/317098399.db2.gz CDCTWYTYCUUSFJ-NXWXRZEISA-N 1 3 302.462 2.567 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000450497106 317098402 /nfs/dbraw/zinc/09/84/02/317098402.db2.gz CDCTWYTYCUUSFJ-NXWXRZEISA-N 1 3 302.462 2.567 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000450497106 317098405 /nfs/dbraw/zinc/09/84/05/317098405.db2.gz CDCTWYTYCUUSFJ-NXWXRZEISA-N 1 3 302.462 2.567 20 0 DFADHO CC(C)N1CCCC[C@@H]1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000450500325 317099436 /nfs/dbraw/zinc/09/94/36/317099436.db2.gz MWTYQTHWCUUAAJ-AEFFLSMTSA-N 1 3 303.450 2.798 20 0 DFADHO CC(C)N1CCCC[C@@H]1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000450500325 317099441 /nfs/dbraw/zinc/09/94/41/317099441.db2.gz MWTYQTHWCUUAAJ-AEFFLSMTSA-N 1 3 303.450 2.798 20 0 DFADHO COc1ncc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1Cl ZINC000453292277 317176437 /nfs/dbraw/zinc/17/64/37/317176437.db2.gz NIWJSRUCJWWECU-NWANDNLSSA-N 1 3 309.841 2.706 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@@H]2C)[C@@H]1SC ZINC000459366797 317322751 /nfs/dbraw/zinc/32/27/51/317322751.db2.gz BVNWLERQTYLERZ-JONQDZQNSA-N 1 3 300.512 2.750 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)[C@@H]1CC1(C)C ZINC000487556795 317347266 /nfs/dbraw/zinc/34/72/66/317347266.db2.gz IPPSDIFOWBKYGJ-QGTPRVQTSA-N 1 3 302.462 2.777 20 0 DFADHO C[C@H]1C[C@@H]1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000488421649 317391743 /nfs/dbraw/zinc/39/17/43/317391743.db2.gz SYSKTQDDQGVIJM-ZWKOTPCHSA-N 1 3 301.478 2.834 20 0 DFADHO CCC[C@H](CN1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000491132392 317551075 /nfs/dbraw/zinc/55/10/75/317551075.db2.gz IQBMHOPQBXAJOC-MOPGFXCFSA-N 1 3 301.478 2.550 20 0 DFADHO COC[C@H](C)C[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000556604709 317866827 /nfs/dbraw/zinc/86/68/27/317866827.db2.gz LJLGHEKLADUDIL-OAHLLOKOSA-N 1 3 306.450 2.532 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000566091207 317937165 /nfs/dbraw/zinc/93/71/65/317937165.db2.gz ARWCYZLVKKZCPN-TZMCWYRMSA-N 1 3 320.824 2.650 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)NCc1ccc(C[NH3+])cc1 ZINC000575312623 318073036 /nfs/dbraw/zinc/07/30/36/318073036.db2.gz YQVLPOOCZQDZFL-CYBMUJFWSA-N 1 3 315.392 2.791 20 0 DFADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000575861594 318088034 /nfs/dbraw/zinc/08/80/34/318088034.db2.gz BYAJYVMIEGDXAY-KZNAEPCWSA-N 1 3 320.477 2.506 20 0 DFADHO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000576220043 318111651 /nfs/dbraw/zinc/11/16/51/318111651.db2.gz AZEXYIDZIDJABS-ROUUACIJSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)(C)[C@@H](O)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000576220043 318111653 /nfs/dbraw/zinc/11/16/53/318111653.db2.gz AZEXYIDZIDJABS-ROUUACIJSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)(C)[C@@H](O)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000576220043 318111656 /nfs/dbraw/zinc/11/16/56/318111656.db2.gz AZEXYIDZIDJABS-ROUUACIJSA-N 1 3 304.478 2.548 20 0 DFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@H](c1ccccc1)c1cncnc1 ZINC000576744208 318146977 /nfs/dbraw/zinc/14/69/77/318146977.db2.gz ZWNRNKYQMWWKLK-CNCYXEHGSA-N 1 3 308.429 2.672 20 0 DFADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000576746438 318147068 /nfs/dbraw/zinc/14/70/68/318147068.db2.gz HZWRGYSSTGKZPG-SFTDATJTSA-N 1 3 324.468 2.702 20 0 DFADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000576746438 318147070 /nfs/dbraw/zinc/14/70/70/318147070.db2.gz HZWRGYSSTGKZPG-SFTDATJTSA-N 1 3 324.468 2.702 20 0 DFADHO Cc1cccc(OC[C@H](O)CN[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000577055188 318168173 /nfs/dbraw/zinc/16/81/73/318168173.db2.gz LMGUBXRIMZXAEN-SJLPKXTDSA-N 1 3 322.493 2.691 20 0 DFADHO C[C@@H](NC[C@@H](O)Cc1cccc(Cl)c1)C(C)(C)C[NH+](C)C ZINC000577366027 318188031 /nfs/dbraw/zinc/18/80/31/318188031.db2.gz MCPCBNUEAUIXJW-CJNGLKHVSA-N 1 3 312.885 2.809 20 0 DFADHO CC[C@@H]1CN(C[C@@H](O)C[N@H+](C)CC)CC[C@@H]1c1ccccc1 ZINC000577454580 318193245 /nfs/dbraw/zinc/19/32/45/318193245.db2.gz NRJKOJKMFBTEHW-NEWSRXKRSA-N 1 3 304.478 2.815 20 0 DFADHO CC[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CC)CC[C@@H]1c1ccccc1 ZINC000577454580 318193246 /nfs/dbraw/zinc/19/32/46/318193246.db2.gz NRJKOJKMFBTEHW-NEWSRXKRSA-N 1 3 304.478 2.815 20 0 DFADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000577740106 318213720 /nfs/dbraw/zinc/21/37/20/318213720.db2.gz GOZONXDGSVOFHU-SQWLQELKSA-N 1 3 314.433 2.818 20 0 DFADHO Cn1cc([C@H]2CN(CC[C@@H]3CCCC[N@@H+]3C)CC2(C)C)cn1 ZINC000578079726 318236608 /nfs/dbraw/zinc/23/66/08/318236608.db2.gz BKJIHPKPSAVMDF-DLBZAZTESA-N 1 3 304.482 2.720 20 0 DFADHO Cn1cc([C@H]2CN(CC[C@@H]3CCCC[N@H+]3C)CC2(C)C)cn1 ZINC000578079726 318236611 /nfs/dbraw/zinc/23/66/11/318236611.db2.gz BKJIHPKPSAVMDF-DLBZAZTESA-N 1 3 304.482 2.720 20 0 DFADHO c1cc(N2CCN(CCC[NH2+][C@H]3CCCC34CC4)CC2)ccn1 ZINC000578454368 318262468 /nfs/dbraw/zinc/26/24/68/318262468.db2.gz XPPOQVUPTLSHOL-SFHVURJKSA-N 1 3 314.477 2.516 20 0 DFADHO CCc1cccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000578658267 318276241 /nfs/dbraw/zinc/27/62/41/318276241.db2.gz ROZHUSPCUJKNPX-UHFFFAOYSA-N 1 3 315.505 2.897 20 0 DFADHO CC1CCN([C@@H](CNC(=O)CCCC[NH3+])c2cccs2)CC1 ZINC000579115987 318308225 /nfs/dbraw/zinc/30/82/25/318308225.db2.gz AFUBJZYMXBAIGX-HNNXBMFYSA-N 1 3 323.506 2.766 20 0 DFADHO C[C@@H](NCCOc1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000579341998 318323429 /nfs/dbraw/zinc/32/34/29/318323429.db2.gz IUTXGXIBFBSBRS-NEPJUHHUSA-N 1 3 300.805 2.836 20 0 DFADHO CC[C@@H](N)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000579706746 318348725 /nfs/dbraw/zinc/34/87/25/318348725.db2.gz YFWHXEXJGSKDJD-QGZVFWFLSA-N 1 3 303.450 2.637 20 0 DFADHO Cc1ncc2c(n1)CC[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000579825104 318356188 /nfs/dbraw/zinc/35/61/88/318356188.db2.gz MDCQGHIMNCHACH-RNIPGJKVSA-N 1 3 314.477 2.543 20 0 DFADHO Brc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000383818190 323305757 /nfs/dbraw/zinc/30/57/57/323305757.db2.gz HDWMDFMZVHISHR-PHIMTYICSA-N 1 3 315.280 2.942 20 0 DFADHO C[NH2+]CCC1CCN(Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000391428363 323345542 /nfs/dbraw/zinc/34/55/42/323345542.db2.gz ASBSDTFZRIQITR-AWEZNQCLSA-N 1 3 318.461 2.840 20 0 DFADHO C[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)CN1CCCCC1 ZINC000396377275 323353632 /nfs/dbraw/zinc/35/36/32/323353632.db2.gz UDYNUQOIBMLJGK-WLYUNCDWSA-N 1 3 322.415 2.934 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)CC(C)C)CC2)CC1 ZINC000580447343 323387366 /nfs/dbraw/zinc/38/73/66/323387366.db2.gz FKVVTIDVLWGBHD-INIZCTEOSA-N 1 3 323.525 2.734 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3c2cccc3C)CC1 ZINC000154459953 521680354 /nfs/dbraw/zinc/68/03/54/521680354.db2.gz OPSTYXBJQHSBOU-FQEVSTJZSA-N 1 3 315.505 2.990 20 0 DFADHO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000163910764 521996753 /nfs/dbraw/zinc/99/67/53/521996753.db2.gz BXTLMLQNYSAWSD-RLFYNMQTSA-N 1 3 308.466 2.685 20 0 DFADHO Cc1ccc(CC2(O)CC[NH+](CC[C@H]3CCCN3C)CC2)cc1 ZINC000366368587 524280391 /nfs/dbraw/zinc/28/03/91/524280391.db2.gz GBOFSVLIPGLVRZ-LJQANCHMSA-N 1 3 316.489 2.849 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(OCCN(C)C)cc1 ZINC000163307961 525389855 /nfs/dbraw/zinc/38/98/55/525389855.db2.gz OIKDPYJRFPBDAX-JZXOWHBKSA-N 1 3 320.477 2.829 20 0 DFADHO O[C@H](CCc1ccccc1)CNC1CC[NH+](C2CCCC2)CC1 ZINC000364955219 527683576 /nfs/dbraw/zinc/68/35/76/527683576.db2.gz LYXYMFPZQSNNNV-HXUWFJFHSA-N 1 3 316.489 2.977 20 0 DFADHO O[C@H](CCc1ccccc1)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000364955219 527683580 /nfs/dbraw/zinc/68/35/80/527683580.db2.gz LYXYMFPZQSNNNV-HXUWFJFHSA-N 1 3 316.489 2.977 20 0 DFADHO CCOc1cc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1O ZINC000316086465 528274321 /nfs/dbraw/zinc/27/43/21/528274321.db2.gz BKXPQWHABJBPAK-MQVJKMGUSA-N 1 3 304.434 2.896 20 0 DFADHO CCOc1cc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1O ZINC000316086465 528274324 /nfs/dbraw/zinc/27/43/24/528274324.db2.gz BKXPQWHABJBPAK-MQVJKMGUSA-N 1 3 304.434 2.896 20 0 DFADHO CCOc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)ccc1O ZINC000316086465 528274331 /nfs/dbraw/zinc/27/43/31/528274331.db2.gz BKXPQWHABJBPAK-MQVJKMGUSA-N 1 3 304.434 2.896 20 0 DFADHO CCCc1ccc2nccc(N3CCC([NH2+]CCO)CC3)c2c1 ZINC000297489999 528631088 /nfs/dbraw/zinc/63/10/88/528631088.db2.gz MJFFXIGQLGYBNR-UHFFFAOYSA-N 1 3 313.445 2.738 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000293076771 528990870 /nfs/dbraw/zinc/99/08/70/528990870.db2.gz MFJKUXUVOFOHIU-GOSISDBHSA-N 1 3 308.441 2.534 20 0 DFADHO CC(=O)c1ccccc1OCCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261850384 534925703 /nfs/dbraw/zinc/92/57/03/534925703.db2.gz ZTXNLCGXNILGQX-GOSISDBHSA-N 1 3 316.445 2.732 20 0 DFADHO CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)OCCO1 ZINC000245639597 535158175 /nfs/dbraw/zinc/15/81/75/535158175.db2.gz ALUDZGIUVBJIAP-NNZMDNLPSA-N 1 3 316.445 2.535 20 0 DFADHO CC(C)C[C@@H](C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170781905 535266403 /nfs/dbraw/zinc/26/64/03/535266403.db2.gz SFUHGUGUIRYCGC-MRXNPFEDSA-N 1 3 323.525 2.734 20 0 DFADHO CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000262703672 535528476 /nfs/dbraw/zinc/52/84/76/535528476.db2.gz KOSNFTUGWHRSKD-GOEBONIOSA-N 1 3 311.495 2.765 20 0 DFADHO CN(C)Cc1cccc(C(=O)Nc2cccc3c2C[NH2+]CC3)c1 ZINC000367499101 536029140 /nfs/dbraw/zinc/02/91/40/536029140.db2.gz ZLPFSMYODQDQOU-UHFFFAOYSA-N 1 3 309.413 2.646 20 0 DFADHO C[N@H+](CCNC1CCN(Cc2ccccn2)CC1)C1CCCC1 ZINC000361182900 536386730 /nfs/dbraw/zinc/38/67/30/536386730.db2.gz JVFOYWFXVXYEFS-UHFFFAOYSA-N 1 3 316.493 2.510 20 0 DFADHO C[N@@H+](CCNC1CCN(Cc2ccccn2)CC1)C1CCCC1 ZINC000361182900 536386734 /nfs/dbraw/zinc/38/67/34/536386734.db2.gz JVFOYWFXVXYEFS-UHFFFAOYSA-N 1 3 316.493 2.510 20 0 DFADHO COCCOc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000361762405 536677197 /nfs/dbraw/zinc/67/71/97/536677197.db2.gz CZPOYZLCVJGDPY-VYDXJSESSA-N 1 3 306.450 2.845 20 0 DFADHO COCCOc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000361762405 536677200 /nfs/dbraw/zinc/67/72/00/536677200.db2.gz CZPOYZLCVJGDPY-VYDXJSESSA-N 1 3 306.450 2.845 20 0 DFADHO c1ccc(N2C[C@@H]3CN(CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC000682027659 545778161 /nfs/dbraw/zinc/77/81/61/545778161.db2.gz GDNXELPXWVSFPT-OALUTQOASA-N 1 3 313.489 2.931 20 0 DFADHO O[C@H](CN1CCC(C[NH+]2CCCCCC2)CC1)CC(F)(F)F ZINC000682518238 545866748 /nfs/dbraw/zinc/86/67/48/545866748.db2.gz IVBAWTCTVHABFJ-HNNXBMFYSA-N 1 3 322.415 2.888 20 0 DFADHO C[N@@H+]1CCCN(CCCNCc2ccsc2Cl)CC1 ZINC000682941191 545945174 /nfs/dbraw/zinc/94/51/74/545945174.db2.gz XKAJTUWLJPGWOF-UHFFFAOYSA-N 1 3 301.887 2.519 20 0 DFADHO C[N@H+]1CCCN(CCCNCc2ccsc2Cl)CC1 ZINC000682941191 545945178 /nfs/dbraw/zinc/94/51/78/545945178.db2.gz XKAJTUWLJPGWOF-UHFFFAOYSA-N 1 3 301.887 2.519 20 0 DFADHO CN1CCC[N@H+](CCCNCc2ccsc2Cl)CC1 ZINC000682941191 545945168 /nfs/dbraw/zinc/94/51/68/545945168.db2.gz XKAJTUWLJPGWOF-UHFFFAOYSA-N 1 3 301.887 2.519 20 0 DFADHO CN1CCC[N@@H+](CCCNCc2ccsc2Cl)CC1 ZINC000682941191 545945170 /nfs/dbraw/zinc/94/51/70/545945170.db2.gz XKAJTUWLJPGWOF-UHFFFAOYSA-N 1 3 301.887 2.519 20 0 DFADHO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]CCCN(CC)CC ZINC000683142345 545979705 /nfs/dbraw/zinc/97/97/05/545979705.db2.gz PJTGWZDBWXCMGA-SJORKVTESA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H]1CC(C[NH2+]Cc2ccc(OCCN(C)C)cc2)C[C@@H](C)O1 ZINC000684931834 546304481 /nfs/dbraw/zinc/30/44/81/546304481.db2.gz YBRAZXACTXAWAM-HZPDHXFCSA-N 1 3 320.477 2.920 20 0 DFADHO CC(C)(C)c1ccc(CCNC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000685840486 546397448 /nfs/dbraw/zinc/39/74/48/546397448.db2.gz WWOOIIBRYLIZGU-LJQANCHMSA-N 1 3 318.505 2.963 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(F)nc2C)[C@H](C)C1 ZINC000278312515 214083688 /nfs/dbraw/zinc/08/36/88/214083688.db2.gz DCVSOSKBMYQKGL-PBHICJAKSA-N 1 3 323.456 2.756 20 0 DFADHO COCCOc1ccccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278507289 214198192 /nfs/dbraw/zinc/19/81/92/214198192.db2.gz PCAAWAGPIHIONU-UHFFFAOYSA-N 1 3 318.461 2.676 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCCN(CCCc2nc(-c3cccs3)no2)C1 ZINC000315340162 231140355 /nfs/dbraw/zinc/14/03/55/231140355.db2.gz FQDLBMXAYHBWNU-STQMWFEESA-N 1 3 320.462 2.790 20 0 DFADHO CN(C)CCOc1ccccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000278747793 214372526 /nfs/dbraw/zinc/37/25/26/214372526.db2.gz NTCONNGTCNCNPF-SZMVWBNQSA-N 1 3 318.461 2.530 20 0 DFADHO COc1cccc2cc([C@H](C)NCCOCC[NH+](C)C)oc21 ZINC000318826771 231175628 /nfs/dbraw/zinc/17/56/28/231175628.db2.gz KSBRPLFSTVRQHK-ZDUSSCGKSA-N 1 3 306.406 2.670 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000323623273 231217777 /nfs/dbraw/zinc/21/77/77/231217777.db2.gz DCDZKBSMMSABNN-XLIONFOSSA-N 1 3 315.505 2.623 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccc(Br)s2)C1 ZINC000226359693 398350950 /nfs/dbraw/zinc/35/09/50/398350950.db2.gz WITBCGYVHNMSDH-VHSXEESVSA-N 1 3 303.269 2.913 20 0 DFADHO CS[C@H]1CN(c2nccc3[nH]ccc32)C[C@H]1[NH+]1CCCC1 ZINC000596195875 398354473 /nfs/dbraw/zinc/35/44/73/398354473.db2.gz PIKZRAVIKLHQGJ-CABCVRRESA-N 1 3 302.447 2.579 20 0 DFADHO CNC(=O)c1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000596200032 398355240 /nfs/dbraw/zinc/35/52/40/398355240.db2.gz RCJMWPFDCYABQV-UHFFFAOYSA-N 1 3 317.477 2.598 20 0 DFADHO CNC(=O)c1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000596200032 398355243 /nfs/dbraw/zinc/35/52/43/398355243.db2.gz RCJMWPFDCYABQV-UHFFFAOYSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)C[C@@H](CN(C)C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000236754150 398364572 /nfs/dbraw/zinc/36/45/72/398364572.db2.gz HFXKTWMOHYGHHQ-DLBZAZTESA-N 1 3 305.466 2.559 20 0 DFADHO CC[C@@H](C)C[NH+]1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000088506488 185254475 /nfs/dbraw/zinc/25/44/75/185254475.db2.gz FOVYETURPSZJMF-GOSISDBHSA-N 1 3 303.494 2.782 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C(C)C ZINC000090038769 185279381 /nfs/dbraw/zinc/27/93/81/185279381.db2.gz ICUFQZYOKPGWOU-KRWDZBQOSA-N 1 3 305.466 2.502 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000167619272 197711154 /nfs/dbraw/zinc/71/11/54/197711154.db2.gz UAGVIAFIGMEPAQ-XIRDDKMYSA-N 1 3 317.477 2.750 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccnc1 ZINC000092740060 185337856 /nfs/dbraw/zinc/33/78/56/185337856.db2.gz WJIBNPDORHZGLD-KRWDZBQOSA-N 1 3 324.472 2.680 20 0 DFADHO CCOC(=O)c1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000592433626 398425764 /nfs/dbraw/zinc/42/57/64/398425764.db2.gz MOCJTZCNCLQNFW-GJZGRUSLSA-N 1 3 320.433 2.668 20 0 DFADHO COCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183125166 199541094 /nfs/dbraw/zinc/54/10/94/199541094.db2.gz MGILUHUJROSGMX-GBESFXJTSA-N 1 3 302.462 2.913 20 0 DFADHO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCCC1CC[NH2+]CC1 ZINC000592493585 398433665 /nfs/dbraw/zinc/43/36/65/398433665.db2.gz XDBHXNQFVRYGGJ-IKGGRYGDSA-N 1 3 308.466 2.572 20 0 DFADHO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCC1CC[NH2+]CC1 ZINC000592493583 398433929 /nfs/dbraw/zinc/43/39/29/398433929.db2.gz XDBHXNQFVRYGGJ-BBWFWOEESA-N 1 3 308.466 2.572 20 0 DFADHO C[C@H]1CCC[N@H+](CCNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000046381203 282376760 /nfs/dbraw/zinc/37/67/60/282376760.db2.gz WBWJPBGEXZJHHH-HNNXBMFYSA-N 1 3 318.465 2.602 20 0 DFADHO C[C@H]1CCC[N@@H+](CCNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000046381203 282376763 /nfs/dbraw/zinc/37/67/63/282376763.db2.gz WBWJPBGEXZJHHH-HNNXBMFYSA-N 1 3 318.465 2.602 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCc1nc(-c2ccccn2)cs1 ZINC000090044349 398474710 /nfs/dbraw/zinc/47/47/10/398474710.db2.gz PYIWJSCQHPEAFU-KGLIPLIRSA-N 1 3 316.474 2.677 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCc1nc(-c2ccccn2)cs1 ZINC000090044349 398474711 /nfs/dbraw/zinc/47/47/11/398474711.db2.gz PYIWJSCQHPEAFU-KGLIPLIRSA-N 1 3 316.474 2.677 20 0 DFADHO C[N@@H+]1CCCC12CCN([C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000459479724 299116894 /nfs/dbraw/zinc/11/68/94/299116894.db2.gz UZNHULWAVDRGSK-IBGZPJMESA-N 1 3 313.489 2.821 20 0 DFADHO C[N@H+]1CCCC12CCN([C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000459479724 299116896 /nfs/dbraw/zinc/11/68/96/299116896.db2.gz UZNHULWAVDRGSK-IBGZPJMESA-N 1 3 313.489 2.821 20 0 DFADHO CO[C@H](CC[NH2+]C1CCN(c2ccncc2)CC1)C(F)(F)F ZINC000459495343 299120979 /nfs/dbraw/zinc/12/09/79/299120979.db2.gz LVGNGGFWSJMMMF-CQSZACIVSA-N 1 3 317.355 2.607 20 0 DFADHO C[C@H]([NH2+]C1CCC(O)CC1)c1cccc(OCCN(C)C)c1 ZINC000090800316 398492549 /nfs/dbraw/zinc/49/25/49/398492549.db2.gz IPBJGPSJTRKDBD-OOHWJJMZSA-N 1 3 306.450 2.581 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272690135 210095279 /nfs/dbraw/zinc/09/52/79/210095279.db2.gz VOWCSDBGUZZXBK-ZIFCJYIRSA-N 1 3 303.494 2.827 20 0 DFADHO COc1ccc(C[NH2+]C[C@@H]2CCCN(C)C2)cc1OC(F)F ZINC000068722691 398522422 /nfs/dbraw/zinc/52/24/22/398522422.db2.gz VZAXZKFHDNDWCQ-ZDUSSCGKSA-N 1 3 314.376 2.728 20 0 DFADHO COCCC[NH+]1CCC(N[C@@H](c2cccnc2)C(C)C)CC1 ZINC000091317672 398526806 /nfs/dbraw/zinc/52/68/06/398526806.db2.gz MDAXLUVENTWSRJ-GOSISDBHSA-N 1 3 305.466 2.869 20 0 DFADHO C[C@@H](CN(C)C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000286880283 219206734 /nfs/dbraw/zinc/20/67/34/219206734.db2.gz CJYILLYTKWUTLQ-KANFNMMFSA-N 1 3 301.478 2.722 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(OC)cc2C)CC1 ZINC000414077863 295764473 /nfs/dbraw/zinc/76/44/73/295764473.db2.gz ZMTRNRBJUQSMAO-QGZVFWFLSA-N 1 3 319.493 2.682 20 0 DFADHO O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000459585277 299141643 /nfs/dbraw/zinc/14/16/43/299141643.db2.gz JVWBDDBYYAZUDJ-LASHMREHSA-N 1 3 314.473 2.790 20 0 DFADHO CC1(C)C[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)CCO1 ZINC000459595426 299143935 /nfs/dbraw/zinc/14/39/35/299143935.db2.gz MTGPUCDPMKOCLQ-HNNXBMFYSA-N 1 3 303.450 2.845 20 0 DFADHO COc1cccc(CNCC2(SC)CC[NH+](C)CC2)c1F ZINC000589326009 398545722 /nfs/dbraw/zinc/54/57/22/398545722.db2.gz CEJBXUSBIJEVBI-UHFFFAOYSA-N 1 3 312.454 2.751 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000272581194 210001330 /nfs/dbraw/zinc/00/13/30/210001330.db2.gz QOXDGPQYVLYHDI-VBSBHUPXSA-N 1 3 315.505 2.827 20 0 DFADHO N[C@@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000035323236 398551283 /nfs/dbraw/zinc/55/12/83/398551283.db2.gz YEAUPUGLWQWBBE-FQEVSTJZSA-N 1 3 309.457 2.941 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2[nH]nc3ccccc32)C[C@@H](C)O1 ZINC000589646239 398569204 /nfs/dbraw/zinc/56/92/04/398569204.db2.gz QOTGSGBIJBACFD-HUUCEWRRSA-N 1 3 316.449 2.542 20 0 DFADHO Cc1occc1C[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000414337028 295789238 /nfs/dbraw/zinc/78/92/38/295789238.db2.gz PQRNOTJROKFZMR-UHFFFAOYSA-N 1 3 302.418 2.861 20 0 DFADHO CSC1(C[NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CCC1 ZINC000597186121 398585301 /nfs/dbraw/zinc/58/53/01/398585301.db2.gz FJFVUYPTTQUOJF-QGZVFWFLSA-N 1 3 320.502 2.629 20 0 DFADHO C[NH+]1CCC(CNCc2ccsc2Br)CC1 ZINC000388521765 323331393 /nfs/dbraw/zinc/33/13/93/323331393.db2.gz ARMZXAYCESUZLW-UHFFFAOYSA-N 1 3 303.269 2.942 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1cccc(OCCN(C)C)c1 ZINC000152603529 186089126 /nfs/dbraw/zinc/08/91/26/186089126.db2.gz UAJOQWNCZVIPEF-OAHLLOKOSA-N 1 3 307.482 2.618 20 0 DFADHO C[C@H]1C[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)CCN1C ZINC000155663844 186100623 /nfs/dbraw/zinc/10/06/23/186100623.db2.gz CCBQFJKZWRUCTL-QFBILLFUSA-N 1 3 315.505 2.896 20 0 DFADHO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000093760723 398643395 /nfs/dbraw/zinc/64/33/95/398643395.db2.gz SNOMAWCZZXMEKO-INIZCTEOSA-N 1 3 308.491 2.954 20 0 DFADHO CSC[C@@H]1CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000093760723 398643397 /nfs/dbraw/zinc/64/33/97/398643397.db2.gz SNOMAWCZZXMEKO-INIZCTEOSA-N 1 3 308.491 2.954 20 0 DFADHO C[C@H]1C[C@@H](CN2CCN(Cc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414672329 295814268 /nfs/dbraw/zinc/81/42/68/295814268.db2.gz HFJDCJUUMUMWET-HOTGVXAUSA-N 1 3 321.896 2.846 20 0 DFADHO CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000414804369 295820898 /nfs/dbraw/zinc/82/08/98/295820898.db2.gz OSIIFGZTRYAKLJ-GDBMZVCRSA-N 1 3 309.498 2.521 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@H]2CCCNC2)cc1O ZINC000414819119 295821642 /nfs/dbraw/zinc/82/16/42/295821642.db2.gz GSNUXLGHHAAOLP-DZKIICNBSA-N 1 3 306.450 2.700 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414822245 295822257 /nfs/dbraw/zinc/82/22/57/295822257.db2.gz CLSIAWOZGLWIOJ-AEZOWIDVSA-N 1 3 321.852 2.930 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414829874 295823385 /nfs/dbraw/zinc/82/33/85/295823385.db2.gz BOWVPIVVNKDZIA-MNOVXSKESA-N 1 3 317.246 2.964 20 0 DFADHO CC[NH+]1CCC(CNCc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000378929423 398657603 /nfs/dbraw/zinc/65/76/03/398657603.db2.gz WRCXONTUJOKLRV-AWEZNQCLSA-N 1 3 318.461 2.840 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000414842615 295825293 /nfs/dbraw/zinc/82/52/93/295825293.db2.gz PFMQSNAMIWMEON-DGCLKSJQSA-N 1 3 311.857 2.811 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414838078 295824601 /nfs/dbraw/zinc/82/46/01/295824601.db2.gz KTFFURVBZYLWQE-WCQYABFASA-N 1 3 311.857 2.811 20 0 DFADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccccc2F)CC1 ZINC000171930396 198009712 /nfs/dbraw/zinc/00/97/12/198009712.db2.gz OBOFGRZFJWXOGR-UHFFFAOYSA-N 1 3 321.440 2.961 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414849734 295825805 /nfs/dbraw/zinc/82/58/05/295825805.db2.gz YLCDAJNYGLYTCU-CABCVRRESA-N 1 3 305.466 2.972 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414862413 295827794 /nfs/dbraw/zinc/82/77/94/295827794.db2.gz XOUPBYYPYSWFAA-UXLLHSPISA-N 1 3 317.477 2.944 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NCC[C@H]1CCC[NH2+]1 ZINC000414910450 295833650 /nfs/dbraw/zinc/83/36/50/295833650.db2.gz VNGSBEQPNMHSLK-TZMCWYRMSA-N 1 3 309.841 2.789 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000414929502 295836648 /nfs/dbraw/zinc/83/66/48/295836648.db2.gz RPIHFTIEPPURFN-OLZOCXBDSA-N 1 3 302.340 2.987 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414947227 295838843 /nfs/dbraw/zinc/83/88/43/295838843.db2.gz VSWWFHDFDMHZJM-IMJJTQAJSA-N 1 3 306.450 2.613 20 0 DFADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786277 398674148 /nfs/dbraw/zinc/67/41/48/398674148.db2.gz LZPZEZLZIONIIP-HOTGVXAUSA-N 1 3 311.514 2.732 20 0 DFADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786277 398674152 /nfs/dbraw/zinc/67/41/52/398674152.db2.gz LZPZEZLZIONIIP-HOTGVXAUSA-N 1 3 311.514 2.732 20 0 DFADHO Cn1c(CNCCC[C@H]2CCC[NH2+]2)nc2ccc(Cl)cc21 ZINC000414980448 295843675 /nfs/dbraw/zinc/84/36/75/295843675.db2.gz WYEJGEXQDNTMAK-ZDUSSCGKSA-N 1 3 306.841 2.849 20 0 DFADHO COc1ccc(CNC(C)(C)CCC[NH3+])c(Cl)c1OC ZINC000415006778 295846793 /nfs/dbraw/zinc/84/67/93/295846793.db2.gz AENYVKZJUFGRQS-UHFFFAOYSA-N 1 3 300.830 2.964 20 0 DFADHO COc1ccc(CN[C@@H](C)CCCC[NH3+])c(Cl)c1OC ZINC000415019416 295847896 /nfs/dbraw/zinc/84/78/96/295847896.db2.gz VUXYCSRBDKSWNU-NSHDSACASA-N 1 3 300.830 2.964 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](CNCc2ncc(Br)s2)C1 ZINC000415013231 295847308 /nfs/dbraw/zinc/84/73/08/295847308.db2.gz YEWDTQAKFPFVIK-RKDXNWHRSA-N 1 3 304.257 2.513 20 0 DFADHO [NH3+]C[C@H]1CC[C@@H](NCc2ccc(Br)cc2F)C1 ZINC000415029071 295848674 /nfs/dbraw/zinc/84/86/74/295848674.db2.gz DFMHYOQSEJOUHN-JOYOIKCWSA-N 1 3 301.203 2.805 20 0 DFADHO [NH3+]C[C@H]1CC[C@H](NCc2ccc(F)cc2Br)C1 ZINC000415037028 295849648 /nfs/dbraw/zinc/84/96/48/295849648.db2.gz LWAHWROISRXADK-CABZTGNLSA-N 1 3 301.203 2.805 20 0 DFADHO CC(C)N(C)c1ccc(CNCC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000459795480 299195729 /nfs/dbraw/zinc/19/57/29/299195729.db2.gz VKJRTLZXIFMDMD-MRXNPFEDSA-N 1 3 304.482 2.748 20 0 DFADHO CC(C)N(C)c1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000459795480 299195730 /nfs/dbraw/zinc/19/57/30/299195730.db2.gz VKJRTLZXIFMDMD-MRXNPFEDSA-N 1 3 304.482 2.748 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000415087635 295856636 /nfs/dbraw/zinc/85/66/36/295856636.db2.gz WGYMMVXCXREZLI-USXIJHARSA-N 1 3 306.425 2.887 20 0 DFADHO c1ccc2c(c1)CCOC21CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000415092763 295857124 /nfs/dbraw/zinc/85/71/24/295857124.db2.gz BFVCTUVPJHKAPG-MRXNPFEDSA-N 1 3 300.446 2.550 20 0 DFADHO COCc1cccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415106132 295858956 /nfs/dbraw/zinc/85/89/56/295858956.db2.gz JHNYPJZFNPJOGT-MOPGFXCFSA-N 1 3 318.461 2.551 20 0 DFADHO Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000073895166 398707731 /nfs/dbraw/zinc/70/77/31/398707731.db2.gz GKKWGAUDBTYUCC-SFHVURJKSA-N 1 3 320.477 2.539 20 0 DFADHO Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000073895166 398707733 /nfs/dbraw/zinc/70/77/33/398707733.db2.gz GKKWGAUDBTYUCC-SFHVURJKSA-N 1 3 320.477 2.539 20 0 DFADHO CCCC[C@@H](COC)NCc1ccncc1OCCC[NH+](C)C ZINC000290450416 282909481 /nfs/dbraw/zinc/90/94/81/282909481.db2.gz VZKBDLZNEISWTM-KRWDZBQOSA-N 1 3 323.481 2.707 20 0 DFADHO CN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000073988486 398715922 /nfs/dbraw/zinc/71/59/22/398715922.db2.gz HPYHCFHBDKYRAI-SFHVURJKSA-N 1 3 324.428 2.991 20 0 DFADHO CN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000073988486 398715925 /nfs/dbraw/zinc/71/59/25/398715925.db2.gz HPYHCFHBDKYRAI-SFHVURJKSA-N 1 3 324.428 2.991 20 0 DFADHO CCC[NH+]1CCC(N(C)C(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000236774767 202003370 /nfs/dbraw/zinc/00/33/70/202003370.db2.gz JZVLRGCIBLVUTB-CRAIPNDOSA-N 1 3 317.477 2.655 20 0 DFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccccc1CCN(C)C ZINC000415584394 295891895 /nfs/dbraw/zinc/89/18/95/295891895.db2.gz WMSUEXRLTXDXGI-INIZCTEOSA-N 1 3 320.481 2.628 20 0 DFADHO CCC[NH+]1CCC(N(C)C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000074227028 398733184 /nfs/dbraw/zinc/73/31/84/398733184.db2.gz RIJSPPCOGYXPLS-INIZCTEOSA-N 1 3 309.498 2.584 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)CC(C)C ZINC000415955467 295906000 /nfs/dbraw/zinc/90/60/00/295906000.db2.gz MZCNHLRZTSQYSC-UHFFFAOYSA-N 1 3 320.481 2.848 20 0 DFADHO C[N@@H+]1CC[C@H](NCCN2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000367616180 283136521 /nfs/dbraw/zinc/13/65/21/283136521.db2.gz LKJJSPCPCXGCAU-UFYCRDLUSA-N 1 3 313.489 2.507 20 0 DFADHO C[N@H+]1CC[C@H](NCCN2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000367616180 283136522 /nfs/dbraw/zinc/13/65/22/283136522.db2.gz LKJJSPCPCXGCAU-UFYCRDLUSA-N 1 3 313.489 2.507 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccsc1 ZINC000236826799 202028368 /nfs/dbraw/zinc/02/83/68/202028368.db2.gz DBIJHGIRONGSQK-UONOGXRCSA-N 1 3 311.495 2.621 20 0 DFADHO CCc1ccc([C@H](C[NH2+][C@@H]2CCN(C)C[C@@H]2C)N(C)C)cc1 ZINC000133850823 283164486 /nfs/dbraw/zinc/16/44/86/283164486.db2.gz ZQUSJUIYOXUYFG-IPELMVKDSA-N 1 3 303.494 2.782 20 0 DFADHO CCc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000133850823 283164492 /nfs/dbraw/zinc/16/44/92/283164492.db2.gz ZQUSJUIYOXUYFG-IPELMVKDSA-N 1 3 303.494 2.782 20 0 DFADHO CCc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000133850823 283164495 /nfs/dbraw/zinc/16/44/95/283164495.db2.gz ZQUSJUIYOXUYFG-IPELMVKDSA-N 1 3 303.494 2.782 20 0 DFADHO CC(C)c1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000119694097 398777876 /nfs/dbraw/zinc/77/78/76/398777876.db2.gz JFRRCMQIKMDRJE-UHFFFAOYSA-N 1 3 320.481 2.767 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000236882625 202051647 /nfs/dbraw/zinc/05/16/47/202051647.db2.gz LFGSEQVVCJIWGC-IEBWSBKVSA-N 1 3 317.477 2.718 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000236914835 202069021 /nfs/dbraw/zinc/06/90/21/202069021.db2.gz XURGSELJDOVYJV-WMLDXEAASA-N 1 3 303.450 2.984 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](N)CC(C)C)c1 ZINC000236905741 202063759 /nfs/dbraw/zinc/06/37/59/202063759.db2.gz GMCLELGOKOPKFN-KRWDZBQOSA-N 1 3 305.466 2.518 20 0 DFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(N)CCCCC2)C1 ZINC000236937979 202080712 /nfs/dbraw/zinc/08/07/12/202080712.db2.gz SMYQYYOINHQVEV-OAHLLOKOSA-N 1 3 309.498 2.665 20 0 DFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(N)CCCCC2)C1 ZINC000236937979 202080716 /nfs/dbraw/zinc/08/07/16/202080716.db2.gz SMYQYYOINHQVEV-OAHLLOKOSA-N 1 3 309.498 2.665 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000236930945 202077219 /nfs/dbraw/zinc/07/72/19/202077219.db2.gz UCWPVIZREFLWJN-YOEHRIQHSA-N 1 3 303.450 2.637 20 0 DFADHO CC[NH+](CC)[C@H](C)CNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416218483 295931087 /nfs/dbraw/zinc/93/10/87/295931087.db2.gz RKRGEFVTYYXMEU-NVXWUHKLSA-N 1 3 305.466 2.526 20 0 DFADHO Cc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(CN(C)C)c1 ZINC000237036356 202130343 /nfs/dbraw/zinc/13/03/43/202130343.db2.gz QXXDPEVKYUJERV-ZXFUBFMLSA-N 1 3 315.461 2.916 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000237062083 202138994 /nfs/dbraw/zinc/13/89/94/202138994.db2.gz KJWFDVSZOBUYSC-JKSUJKDBSA-N 1 3 309.498 2.665 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000126082942 283208969 /nfs/dbraw/zinc/20/89/69/283208969.db2.gz YZJAWRLVFUQBHU-IRXDYDNUSA-N 1 3 311.514 2.687 20 0 DFADHO CCC[N@H+](CCN1CCN(CC)CC1)CC1(SC)CCC1 ZINC000356348663 283259810 /nfs/dbraw/zinc/25/98/10/283259810.db2.gz WHHUODVUTHRVPM-UHFFFAOYSA-N 1 3 313.555 2.622 20 0 DFADHO CCC[N@@H+](CCN1CCN(CC)CC1)CC1(SC)CCC1 ZINC000356348663 283259815 /nfs/dbraw/zinc/25/98/15/283259815.db2.gz WHHUODVUTHRVPM-UHFFFAOYSA-N 1 3 313.555 2.622 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000151330094 283281526 /nfs/dbraw/zinc/28/15/26/283281526.db2.gz WFKFVUFHWANSGD-GJYPPUQNSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1cccc(Cn2ccnc2)c1 ZINC000151330094 283281529 /nfs/dbraw/zinc/28/15/29/283281529.db2.gz WFKFVUFHWANSGD-GJYPPUQNSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cccc(Cn2ccnc2)c1 ZINC000151330094 283281531 /nfs/dbraw/zinc/28/15/31/283281531.db2.gz WFKFVUFHWANSGD-GJYPPUQNSA-N 1 3 312.461 2.750 20 0 DFADHO COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000125609732 398807906 /nfs/dbraw/zinc/80/79/06/398807906.db2.gz HZSUHYLYVNGATJ-IEBWSBKVSA-N 1 3 304.478 2.956 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)[C@H]1C ZINC000354579107 291119678 /nfs/dbraw/zinc/11/96/78/291119678.db2.gz UECZTDNAXMKEKI-YDHLFZDLSA-N 1 3 310.482 2.863 20 0 DFADHO COC(=O)c1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000594606607 398830504 /nfs/dbraw/zinc/83/05/04/398830504.db2.gz JNIHSJNJDBWGJO-HNNXBMFYSA-N 1 3 320.433 2.538 20 0 DFADHO CC[C@@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000130504757 398845792 /nfs/dbraw/zinc/84/57/92/398845792.db2.gz RUCALALMYOYLAG-GOEBONIOSA-N 1 3 303.450 2.504 20 0 DFADHO CC[C@@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000130504988 398846004 /nfs/dbraw/zinc/84/60/04/398846004.db2.gz RUCALALMYOYLAG-GDBMZVCRSA-N 1 3 303.450 2.504 20 0 DFADHO COC(=O)c1cccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000594734534 398851420 /nfs/dbraw/zinc/85/14/20/398851420.db2.gz AMPSSFSSYXZBBU-SFHVURJKSA-N 1 3 316.445 2.685 20 0 DFADHO C[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)N1CCCCCC1 ZINC000175562804 283407929 /nfs/dbraw/zinc/40/79/29/283407929.db2.gz GYHKRKYBAYJWTD-HNNXBMFYSA-N 1 3 309.498 2.630 20 0 DFADHO CN1CCC(O)(C[NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000077450318 398904863 /nfs/dbraw/zinc/90/48/63/398904863.db2.gz QEHKFVIRRZAWIS-UHFFFAOYSA-N 1 3 318.461 2.554 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000187268958 200085535 /nfs/dbraw/zinc/08/55/35/200085535.db2.gz YJTHXAXCOWRMDH-CRAIPNDOSA-N 1 3 318.461 2.678 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000187268958 200085537 /nfs/dbraw/zinc/08/55/37/200085537.db2.gz YJTHXAXCOWRMDH-CRAIPNDOSA-N 1 3 318.461 2.678 20 0 DFADHO CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(F)c1 ZINC000187750597 200153039 /nfs/dbraw/zinc/15/30/39/200153039.db2.gz AAOLWGYQFWJTIM-SFHVURJKSA-N 1 3 307.457 2.892 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc([S@](C)=O)cc1 ZINC000599072022 398917111 /nfs/dbraw/zinc/91/71/11/398917111.db2.gz WVFJNWYIZFSDTL-GXZWQRSESA-N 1 3 308.491 2.807 20 0 DFADHO CN(C)C1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000417351452 296012903 /nfs/dbraw/zinc/01/29/03/296012903.db2.gz CPTZFKCDMIMEIG-GUDVDZBRSA-N 1 3 313.489 2.581 20 0 DFADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc2c(c1)OCCO2 ZINC000271896506 209305515 /nfs/dbraw/zinc/30/55/15/209305515.db2.gz UIGHZTWGCXPAJY-INIZCTEOSA-N 1 3 302.418 2.760 20 0 DFADHO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(CC[NH+](C)C)CC1 ZINC000056523610 398977969 /nfs/dbraw/zinc/97/79/69/398977969.db2.gz ZHTPIGAZEHJDNX-BRWVUGGUSA-N 1 3 323.525 2.543 20 0 DFADHO CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000056524633 398978022 /nfs/dbraw/zinc/97/80/22/398978022.db2.gz XDUDSNGNMCMXMS-WMZOPIPTSA-N 1 3 323.525 2.830 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000161648433 398978273 /nfs/dbraw/zinc/97/82/73/398978273.db2.gz AWDHJYDFLCZHAX-SFHVURJKSA-N 1 3 320.525 2.650 20 0 DFADHO CCC[C@@](C)(N)C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000361709959 283690393 /nfs/dbraw/zinc/69/03/93/283690393.db2.gz AMLIUTNBKVRTKJ-LJQANCHMSA-N 1 3 315.461 2.689 20 0 DFADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cccc(O)c1 ZINC000194872387 201304071 /nfs/dbraw/zinc/30/40/71/201304071.db2.gz RIWOLJXUPCDYAR-JYJNAYRXSA-N 1 3 306.450 2.932 20 0 DFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000417812355 296053910 /nfs/dbraw/zinc/05/39/10/296053910.db2.gz LEIDLRJNJJYIBJ-CVEARBPZSA-N 1 3 305.466 2.544 20 0 DFADHO Cc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]C2)c(CN(C)C)c1 ZINC000621648959 399008887 /nfs/dbraw/zinc/00/88/87/399008887.db2.gz CBRZKMJZVCRSOG-HNNXBMFYSA-N 1 3 303.450 2.775 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)CC[C@H]2CCC[NH2+]C2)c1 ZINC000621658144 399011478 /nfs/dbraw/zinc/01/14/78/399011478.db2.gz ALTJXLXRFFGJIE-OAHLLOKOSA-N 1 3 303.450 2.775 20 0 DFADHO CC[C@H](C)N[C@@H](CNC(=O)NC(C)(C)CCC[NH3+])c1ccco1 ZINC000418160640 296080963 /nfs/dbraw/zinc/08/09/63/296080963.db2.gz DKVFYMGJPGUOIR-KBPBESRZSA-N 1 3 324.469 2.526 20 0 DFADHO CC[C@@H](C)N[C@H](CNC(=O)NC(C)(C)CCC[NH3+])c1ccco1 ZINC000418160647 296080983 /nfs/dbraw/zinc/08/09/83/296080983.db2.gz DKVFYMGJPGUOIR-ZIAGYGMSSA-N 1 3 324.469 2.526 20 0 DFADHO CC[C@@H](C)N[C@H](CNC(=O)NCC([NH3+])(CC)CC)c1ccco1 ZINC000418158870 296080988 /nfs/dbraw/zinc/08/09/88/296080988.db2.gz BSNXJIPDKIKNNW-ZIAGYGMSSA-N 1 3 324.469 2.526 20 0 DFADHO CN1CCC(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000091824459 193112821 /nfs/dbraw/zinc/11/28/21/193112821.db2.gz ZDBPMYYPSCIYGH-UHFFFAOYSA-N 1 3 315.461 2.605 20 0 DFADHO C[N@H+]1CC=C(CNCc2cc(Br)cs2)CC1 ZINC000271780090 209207634 /nfs/dbraw/zinc/20/76/34/209207634.db2.gz DJGYJLJDRTXAJZ-UHFFFAOYSA-N 1 3 301.253 2.862 20 0 DFADHO C[N@@H+]1CC=C(CNCc2cc(Br)cs2)CC1 ZINC000271780090 209207637 /nfs/dbraw/zinc/20/76/37/209207637.db2.gz DJGYJLJDRTXAJZ-UHFFFAOYSA-N 1 3 301.253 2.862 20 0 DFADHO CCN1CCN(CCC[NH2+]Cc2ccc3occc3c2)CC1 ZINC000285416962 283985667 /nfs/dbraw/zinc/98/56/67/283985667.db2.gz JLRCUYHCBKTTBE-UHFFFAOYSA-N 1 3 301.434 2.550 20 0 DFADHO Cc1ccsc1C[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000337290181 284069459 /nfs/dbraw/zinc/06/94/59/284069459.db2.gz CTFFQRLGKUYIHX-UHFFFAOYSA-N 1 3 309.523 2.904 20 0 DFADHO Cc1ccsc1C[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000337290181 284069462 /nfs/dbraw/zinc/06/94/62/284069462.db2.gz CTFFQRLGKUYIHX-UHFFFAOYSA-N 1 3 309.523 2.904 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000261737107 203106694 /nfs/dbraw/zinc/10/66/94/203106694.db2.gz LLAPMFMDIPDPBA-HYVNUMGLSA-N 1 3 317.477 2.750 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000261752566 203109906 /nfs/dbraw/zinc/10/99/06/203109906.db2.gz PCWRJMWYWHFBIG-KBAYOESNSA-N 1 3 317.477 2.574 20 0 DFADHO CCN(Cc1ccc(C(=O)NCC[N@H+](C)C(C)C)cc1)C1CC1 ZINC000338432883 284112909 /nfs/dbraw/zinc/11/29/09/284112909.db2.gz ZQJZDASTGOMJPB-UHFFFAOYSA-N 1 3 317.477 2.741 20 0 DFADHO CCN(Cc1ccc(C(=O)NCC[N@@H+](C)C(C)C)cc1)C1CC1 ZINC000338432883 284112914 /nfs/dbraw/zinc/11/29/14/284112914.db2.gz ZQJZDASTGOMJPB-UHFFFAOYSA-N 1 3 317.477 2.741 20 0 DFADHO CCC[C@](C)(N)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000262133711 203207583 /nfs/dbraw/zinc/20/75/83/203207583.db2.gz NHXBSPFQSKFYJU-IBGZPJMESA-N 1 3 317.477 2.593 20 0 DFADHO Cc1ccc2ncc(CNCCCCC[NH+]3CCCC3)n2c1 ZINC000339500082 284143487 /nfs/dbraw/zinc/14/34/87/284143487.db2.gz MKVIZDSEMFZSGZ-UHFFFAOYSA-N 1 3 300.450 2.998 20 0 DFADHO CCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262682774 203380818 /nfs/dbraw/zinc/38/08/18/203380818.db2.gz YLYLABWWYKGKJT-NJAFHUGGSA-N 1 3 317.477 2.625 20 0 DFADHO CCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262682774 203380819 /nfs/dbraw/zinc/38/08/19/203380819.db2.gz YLYLABWWYKGKJT-NJAFHUGGSA-N 1 3 317.477 2.625 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000340332881 284177112 /nfs/dbraw/zinc/17/71/12/284177112.db2.gz IQNVWSRXUPBGQT-QGZVFWFLSA-N 1 3 303.450 2.870 20 0 DFADHO Cc1cc(N2CC[NH2+][C@@H](C)C2)c2cc(OC(F)F)ccc2n1 ZINC000420217232 296162910 /nfs/dbraw/zinc/16/29/10/296162910.db2.gz XGTQVCNCLBSJDJ-NSHDSACASA-N 1 3 307.344 2.943 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000296654697 296164297 /nfs/dbraw/zinc/16/42/97/296164297.db2.gz ZEFFHVNVGFXLLJ-PBHICJAKSA-N 1 3 306.450 2.845 20 0 DFADHO COCC1(CNc2c(C)cnc3c(C)cccc32)CC[NH2+]CC1 ZINC000420235136 296164505 /nfs/dbraw/zinc/16/45/05/296164505.db2.gz DNDKIQGEDWTVLI-UHFFFAOYSA-N 1 3 313.445 2.702 20 0 DFADHO CC(C)Oc1ccc2nccc(N3CCCO[C@@H](C[NH3+])C3)c2c1 ZINC000420271704 296167854 /nfs/dbraw/zinc/16/78/54/296167854.db2.gz BSQJFRAJGHPROD-HNNXBMFYSA-N 1 3 315.417 2.576 20 0 DFADHO CCS[C@H]1CC[C@@H]([N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420294532 296170470 /nfs/dbraw/zinc/17/04/70/296170470.db2.gz AZUAWFYBLXJIJI-OWSLCNJRSA-N 1 3 322.518 2.523 20 0 DFADHO CCS[C@H]1CC[C@@H]([N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420294532 296170471 /nfs/dbraw/zinc/17/04/71/296170471.db2.gz AZUAWFYBLXJIJI-OWSLCNJRSA-N 1 3 322.518 2.523 20 0 DFADHO CCS[C@H]1CC[C@@H](N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420294532 296170473 /nfs/dbraw/zinc/17/04/73/296170473.db2.gz AZUAWFYBLXJIJI-OWSLCNJRSA-N 1 3 322.518 2.523 20 0 DFADHO COc1ccc(CN(C)C[C@@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420296957 296171085 /nfs/dbraw/zinc/17/10/85/296171085.db2.gz CTRGZQLPTNHASR-QGZVFWFLSA-N 1 3 314.429 2.878 20 0 DFADHO COc1ccc(C[N@H+](C)C[C@@H](CN)c2ccc(OC)cc2)cc1 ZINC000420296957 296171086 /nfs/dbraw/zinc/17/10/86/296171086.db2.gz CTRGZQLPTNHASR-QGZVFWFLSA-N 1 3 314.429 2.878 20 0 DFADHO COc1ccc(C[N@@H+](C)C[C@@H](CN)c2ccc(OC)cc2)cc1 ZINC000420296957 296171088 /nfs/dbraw/zinc/17/10/88/296171088.db2.gz CTRGZQLPTNHASR-QGZVFWFLSA-N 1 3 314.429 2.878 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCN)[C@H]2CCCC[C@H]12 ZINC000420302084 296171678 /nfs/dbraw/zinc/17/16/78/296171678.db2.gz LZPAKPHMULSZLA-SIRPWMCASA-N 1 3 309.498 2.519 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCN)[C@H]2CCCC[C@H]12 ZINC000420302084 296171679 /nfs/dbraw/zinc/17/16/79/296171679.db2.gz LZPAKPHMULSZLA-SIRPWMCASA-N 1 3 309.498 2.519 20 0 DFADHO CCC[C@H](CN1CCC([N@H+](C)CCO)CC1)c1ccccc1 ZINC000271739364 209171486 /nfs/dbraw/zinc/17/14/86/209171486.db2.gz QCRSFYIYTHRIJP-GOSISDBHSA-N 1 3 304.478 2.959 20 0 DFADHO CCC[C@H](CN1CCC([N@@H+](C)CCO)CC1)c1ccccc1 ZINC000271739364 209171490 /nfs/dbraw/zinc/17/14/90/209171490.db2.gz QCRSFYIYTHRIJP-GOSISDBHSA-N 1 3 304.478 2.959 20 0 DFADHO CC(C)[C@@H](c1ccccc1Cl)N(C)CCN1CC[NH2+]CC1 ZINC000420300383 296171398 /nfs/dbraw/zinc/17/13/98/296171398.db2.gz KFYPCUOJOSFPRL-KRWDZBQOSA-N 1 3 309.885 2.874 20 0 DFADHO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420299288 296171482 /nfs/dbraw/zinc/17/14/82/296171482.db2.gz IRJOCBSCDZRXSB-SEVLPDGMSA-N 1 3 324.468 2.795 20 0 DFADHO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420299288 296171483 /nfs/dbraw/zinc/17/14/83/296171483.db2.gz IRJOCBSCDZRXSB-SEVLPDGMSA-N 1 3 324.468 2.795 20 0 DFADHO Cc1ccccc1CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420310018 296172848 /nfs/dbraw/zinc/17/28/48/296172848.db2.gz USDFIGRDQNFHMS-SFHVURJKSA-N 1 3 301.478 2.502 20 0 DFADHO Clc1ccccc1[C@H]1CNCCN1CC[C@H]1CCC[NH2+]C1 ZINC000420303198 296172276 /nfs/dbraw/zinc/17/22/76/296172276.db2.gz CGPUQTWEFOCEKB-RHSMWYFYSA-N 1 3 307.869 2.676 20 0 DFADHO CN(CC[C@H]1CC[NH2+]C1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000420306206 296172460 /nfs/dbraw/zinc/17/24/60/296172460.db2.gz ACMDCBQHDVHJIA-KDOFPFPSSA-N 1 3 316.424 2.580 20 0 DFADHO O=C(c1ccc(F)cc1)[C@@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420312282 296173251 /nfs/dbraw/zinc/17/32/51/296173251.db2.gz WQNDRNWJNBBYAF-GDBMZVCRSA-N 1 3 304.409 2.720 20 0 DFADHO COc1ccc([C@@H](C[NH3+])CN(C)CCc2cccs2)cc1 ZINC000420311470 296173490 /nfs/dbraw/zinc/17/34/90/296173490.db2.gz VZLJFSRPNXRYTR-HNNXBMFYSA-N 1 3 304.459 2.974 20 0 DFADHO COc1ccccc1[C@H]1CNCCN1CCC[NH+]1CCCCC1 ZINC000420308017 296172993 /nfs/dbraw/zinc/17/29/93/296172993.db2.gz JPAFPZXCBIRFMB-GOSISDBHSA-N 1 3 317.477 2.518 20 0 DFADHO Fc1cccc([C@@H]2CNCCN2CCC[NH+]2CCCCC2)c1 ZINC000420318362 296174424 /nfs/dbraw/zinc/17/44/24/296174424.db2.gz VWXXNPCZHKKVML-SFHVURJKSA-N 1 3 305.441 2.648 20 0 DFADHO CC[N@@H+](Cc1ccccc1C)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420319347 296174524 /nfs/dbraw/zinc/17/45/24/296174524.db2.gz PGUGFCQEUBRMQH-PMACEKPBSA-N 1 3 312.457 2.748 20 0 DFADHO CC[N@H+](Cc1ccccc1C)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420319347 296174525 /nfs/dbraw/zinc/17/45/25/296174525.db2.gz PGUGFCQEUBRMQH-PMACEKPBSA-N 1 3 312.457 2.748 20 0 DFADHO Cc1cccc(NC(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)c1C ZINC000420317491 296174025 /nfs/dbraw/zinc/17/40/25/296174025.db2.gz UOXJWICVVTUSKE-CVEARBPZSA-N 1 3 303.450 2.691 20 0 DFADHO COc1ccc([C@@H]2CCCCCN2CCN2CC[NH2+]CC2)cc1 ZINC000420315919 296174232 /nfs/dbraw/zinc/17/42/32/296174232.db2.gz LWSJOIJATHZXJG-IBGZPJMESA-N 1 3 317.477 2.518 20 0 DFADHO [NH3+]C[C@H]1CN([C@@H]2CCCc3ccc(F)cc32)CC12CCOCC2 ZINC000420325546 296175802 /nfs/dbraw/zinc/17/58/02/296175802.db2.gz IUMXWAMXGCLNCQ-MAUKXSAKSA-N 1 3 318.436 2.890 20 0 DFADHO NC[C@H]1C[N@H+](CCCc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420328753 296176065 /nfs/dbraw/zinc/17/60/65/296176065.db2.gz MYOXTHYLSKDAEI-INIZCTEOSA-N 1 3 322.880 2.960 20 0 DFADHO NC[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420328753 296176066 /nfs/dbraw/zinc/17/60/66/296176066.db2.gz MYOXTHYLSKDAEI-INIZCTEOSA-N 1 3 322.880 2.960 20 0 DFADHO COc1ccc(C)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000062252954 399167945 /nfs/dbraw/zinc/16/79/45/399167945.db2.gz LZSURZYEZWKVQT-CALCHBBNSA-N 1 3 320.477 2.983 20 0 DFADHO C[C@H](c1ccsc1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420361997 296180429 /nfs/dbraw/zinc/18/04/29/296180429.db2.gz AAXISLIREWVMRN-CVEARBPZSA-N 1 3 307.507 2.816 20 0 DFADHO C[C@H](CN(C)CCOCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420368445 296181659 /nfs/dbraw/zinc/18/16/59/296181659.db2.gz WXKIAIOCPGARRJ-LLVKDONJSA-N 1 3 321.248 2.668 20 0 DFADHO CCc1cccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420374635 296182335 /nfs/dbraw/zinc/18/23/35/296182335.db2.gz HQKQIPCPGTZUCT-RBUKOAKNSA-N 1 3 302.462 2.967 20 0 DFADHO Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CCNCC3(C)C)cc2)n1 ZINC000420373886 296182380 /nfs/dbraw/zinc/18/23/80/296182380.db2.gz ZMMBTXGOKMAJJY-SFHVURJKSA-N 1 3 312.461 2.967 20 0 DFADHO c1ccc2c(c1)cncc2N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000420383418 296183913 /nfs/dbraw/zinc/18/39/13/296183913.db2.gz ZQRFJJLDOQSQSR-UHFFFAOYSA-N 1 3 324.472 2.747 20 0 DFADHO C[C@H](c1ccsc1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000420383342 296183936 /nfs/dbraw/zinc/18/39/36/296183936.db2.gz ZILLVSPHWOSYHN-OAHLLOKOSA-N 1 3 307.507 2.816 20 0 DFADHO CC(C)N1CC[C@H]([NH2+]C[C@H](C)N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420404591 296186794 /nfs/dbraw/zinc/18/67/94/296186794.db2.gz MGLPEOCQXMQSJO-KNXALSJPSA-N 1 3 313.848 2.940 20 0 DFADHO Cc1cc(C)n(-c2ccc(CN3CC[C@@H](C)[C@H](C[NH3+])C3)cc2)n1 ZINC000420417298 296187859 /nfs/dbraw/zinc/18/78/59/296187859.db2.gz WHZCLHABHWWSJO-RDTXWAMCSA-N 1 3 312.461 2.906 20 0 DFADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282802933 217260187 /nfs/dbraw/zinc/26/01/87/217260187.db2.gz NIQYCOMSBSIDKH-CYBMUJFWSA-N 1 3 304.463 2.532 20 0 DFADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282802933 217260190 /nfs/dbraw/zinc/26/01/90/217260190.db2.gz NIQYCOMSBSIDKH-CYBMUJFWSA-N 1 3 304.463 2.532 20 0 DFADHO CC[C@H]1CN(C)CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000614331281 399209716 /nfs/dbraw/zinc/20/97/16/399209716.db2.gz PJXYWLCHEVHXIG-IRXDYDNUSA-N 1 3 321.509 2.584 20 0 DFADHO CC[C@H]1CN(C)CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000614331281 399209719 /nfs/dbraw/zinc/20/97/19/399209719.db2.gz PJXYWLCHEVHXIG-IRXDYDNUSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H](CN(C)CC[C@H]1CCCO1)C[N@H+](C)CC[C@@H]1CCCO1 ZINC000342607936 284379308 /nfs/dbraw/zinc/37/93/08/284379308.db2.gz RXWBECQQXYLWGV-NNZMDNLPSA-N 1 3 312.498 2.624 20 0 DFADHO C[C@H](CN(C)CC[C@H]1CCCO1)C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342607936 284379310 /nfs/dbraw/zinc/37/93/10/284379310.db2.gz RXWBECQQXYLWGV-NNZMDNLPSA-N 1 3 312.498 2.624 20 0 DFADHO C[C@@H](CN(C)CC[C@@H]1CCCO1)C[N@H+](C)CC[C@H]1CCCO1 ZINC000342607936 284379313 /nfs/dbraw/zinc/37/93/13/284379313.db2.gz RXWBECQQXYLWGV-NNZMDNLPSA-N 1 3 312.498 2.624 20 0 DFADHO C[C@@H](CN(C)CC[C@@H]1CCCO1)C[N@@H+](C)CC[C@H]1CCCO1 ZINC000342607936 284379316 /nfs/dbraw/zinc/37/93/16/284379316.db2.gz RXWBECQQXYLWGV-NNZMDNLPSA-N 1 3 312.498 2.624 20 0 DFADHO CCOC(=O)C1(C)CC(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000601275763 399268766 /nfs/dbraw/zinc/26/87/66/399268766.db2.gz DUKZQJWHBZPRDM-JYMZVQIXSA-N 1 3 322.493 2.961 20 0 DFADHO CCOC(=O)C1(C)CC(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000601275763 399268769 /nfs/dbraw/zinc/26/87/69/399268769.db2.gz DUKZQJWHBZPRDM-JYMZVQIXSA-N 1 3 322.493 2.961 20 0 DFADHO CCOC(=O)C1(C)CC([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000601275763 399268772 /nfs/dbraw/zinc/26/87/72/399268772.db2.gz DUKZQJWHBZPRDM-JYMZVQIXSA-N 1 3 322.493 2.961 20 0 DFADHO CN(CCN1CCCCC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622738496 399269550 /nfs/dbraw/zinc/26/95/50/399269550.db2.gz UTDJUWFVHIYOFU-GOSISDBHSA-N 1 3 321.509 2.728 20 0 DFADHO CN(CCN1CCCCC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000622738496 399269552 /nfs/dbraw/zinc/26/95/52/399269552.db2.gz UTDJUWFVHIYOFU-GOSISDBHSA-N 1 3 321.509 2.728 20 0 DFADHO NC(=O)[C@H]1CC[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000421349284 296246492 /nfs/dbraw/zinc/24/64/92/296246492.db2.gz ICBKCEHTGPIKRX-WKILWMFISA-N 1 3 321.509 2.665 20 0 DFADHO CCCN(C(=O)Nc1cccc(CN(C)C)c1)C1CC[NH2+]CC1 ZINC000623054229 399320242 /nfs/dbraw/zinc/32/02/42/399320242.db2.gz GMIBKEKDNGVPRK-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO Cc1cc(C[NH2+]CCCN(C)CCN(C)C)cc2cccnc12 ZINC000623087722 399324870 /nfs/dbraw/zinc/32/48/70/399324870.db2.gz FJHHAOMZJFNYOY-UHFFFAOYSA-N 1 3 314.477 2.516 20 0 DFADHO CCC[C@@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)N(C)C ZINC000615444501 399337332 /nfs/dbraw/zinc/33/73/32/399337332.db2.gz VHFGCDPMRYRARH-KRWDZBQOSA-N 1 3 323.525 2.830 20 0 DFADHO CO[C@H](C)CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268384780 206675021 /nfs/dbraw/zinc/67/50/21/206675021.db2.gz VWGUNCPODPLKIX-MRXNPFEDSA-N 1 3 319.493 2.732 20 0 DFADHO COc1cccc([C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)N(C)C)c1 ZINC000623335879 399364730 /nfs/dbraw/zinc/36/47/30/399364730.db2.gz JUWMJCOSLPKFGR-FUHWJXTLSA-N 1 3 319.493 2.760 20 0 DFADHO COc1cccc([C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)N(C)C)c1 ZINC000623335879 399364733 /nfs/dbraw/zinc/36/47/33/399364733.db2.gz JUWMJCOSLPKFGR-FUHWJXTLSA-N 1 3 319.493 2.760 20 0 DFADHO COc1cccc([C@@H](C[NH2+][C@H]2CCN(C)C(C)(C)C2)N(C)C)c1 ZINC000623335879 399364736 /nfs/dbraw/zinc/36/47/36/399364736.db2.gz JUWMJCOSLPKFGR-FUHWJXTLSA-N 1 3 319.493 2.760 20 0 DFADHO C[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2sccc2C1 ZINC000623347625 399369019 /nfs/dbraw/zinc/36/90/19/399369019.db2.gz GEAZEJPFWRCMEX-ZBFHGGJFSA-N 1 3 321.534 2.957 20 0 DFADHO C[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2sccc2C1 ZINC000623347625 399369021 /nfs/dbraw/zinc/36/90/21/399369021.db2.gz GEAZEJPFWRCMEX-ZBFHGGJFSA-N 1 3 321.534 2.957 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C(C)C)N(C)C ZINC000106427590 194212064 /nfs/dbraw/zinc/21/20/64/194212064.db2.gz LRDQWSQHVNHOOS-SFHVURJKSA-N 1 3 319.493 2.731 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)c1ccccc1 ZINC000106429005 194213546 /nfs/dbraw/zinc/21/35/46/194213546.db2.gz GUVWJGJUHGYDKX-QZTJIDSGSA-N 1 3 319.493 2.772 20 0 DFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC000106455135 194216244 /nfs/dbraw/zinc/21/62/44/194216244.db2.gz GWDCSJBJQZQLBI-GOSISDBHSA-N 1 3 319.493 2.731 20 0 DFADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000273750562 211026555 /nfs/dbraw/zinc/02/65/55/211026555.db2.gz TWRLZCCZPRZGIK-SFHVURJKSA-N 1 3 315.461 2.870 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccncc2Cl)C[C@H](C)O1 ZINC000623424981 399386868 /nfs/dbraw/zinc/38/68/68/399386868.db2.gz MYAWHKVJPBTZQK-KBPBESRZSA-N 1 3 311.857 2.714 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C1([NH3+])CCCCC1)c1ccccc1 ZINC000236873948 284813277 /nfs/dbraw/zinc/81/32/77/284813277.db2.gz YXWPSNHTFFXUKF-QGZVFWFLSA-N 1 3 317.477 2.847 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623484970 399399755 /nfs/dbraw/zinc/39/97/55/399399755.db2.gz JBMAHAJTQGCWRQ-SJLPKXTDSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623484970 399399757 /nfs/dbraw/zinc/39/97/57/399399757.db2.gz JBMAHAJTQGCWRQ-SJLPKXTDSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623484970 399399758 /nfs/dbraw/zinc/39/97/58/399399758.db2.gz JBMAHAJTQGCWRQ-SJLPKXTDSA-N 1 3 303.494 2.969 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422640027 296317222 /nfs/dbraw/zinc/31/72/22/296317222.db2.gz UNYNRRNFOUTDJM-GUTXKFCHSA-N 1 3 321.440 2.768 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000422640027 296317223 /nfs/dbraw/zinc/31/72/23/296317223.db2.gz UNYNRRNFOUTDJM-GUTXKFCHSA-N 1 3 321.440 2.768 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000422640027 296317224 /nfs/dbraw/zinc/31/72/24/296317224.db2.gz UNYNRRNFOUTDJM-GUTXKFCHSA-N 1 3 321.440 2.768 20 0 DFADHO C[C@@H](NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422699052 296318140 /nfs/dbraw/zinc/31/81/40/296318140.db2.gz CHOCCBAGXKSAIT-QAPCUYQASA-N 1 3 301.478 2.553 20 0 DFADHO Cc1cccc2oc(CCN[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)nc21 ZINC000268916848 207082967 /nfs/dbraw/zinc/08/29/67/207082967.db2.gz JEAFCGQNSAVOQN-QLFBSQMISA-N 1 3 301.434 2.997 20 0 DFADHO Cc1cccc2oc(CCN[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)nc21 ZINC000268916848 207082970 /nfs/dbraw/zinc/08/29/70/207082970.db2.gz JEAFCGQNSAVOQN-QLFBSQMISA-N 1 3 301.434 2.997 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422704045 296318855 /nfs/dbraw/zinc/31/88/55/296318855.db2.gz JRORZQGIOGTNFB-SZMVWBNQSA-N 1 3 312.498 2.848 20 0 DFADHO C[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])N1CCc2sccc2C1 ZINC000422707587 296319343 /nfs/dbraw/zinc/31/93/43/296319343.db2.gz AMYNXHBRSBOMAF-BMFZPTHFSA-N 1 3 307.507 2.744 20 0 DFADHO COc1ccc(CCN[C@H]2CCCCC[C@@H]2[NH3+])c(OC)c1OC ZINC000422709359 296319821 /nfs/dbraw/zinc/31/98/21/296319821.db2.gz YZLIYWKJUWDLLS-GJZGRUSLSA-N 1 3 322.449 2.505 20 0 DFADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CN)N1CCc2ccccc2C1 ZINC000422709961 296319919 /nfs/dbraw/zinc/31/99/19/296319919.db2.gz ZZWWFQKFKNOPRR-AEFFLSMTSA-N 1 3 301.478 2.540 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc3nsnc32)[C@@H](C)C1 ZINC000268953999 207118915 /nfs/dbraw/zinc/11/89/15/207118915.db2.gz SYBVQBHRNDBFCA-WFASDCNBSA-N 1 3 304.463 2.853 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc3nsnc32)[C@@H](C)C1 ZINC000268953999 207118916 /nfs/dbraw/zinc/11/89/16/207118916.db2.gz SYBVQBHRNDBFCA-WFASDCNBSA-N 1 3 304.463 2.853 20 0 DFADHO CCC(CC)[C@H](O)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422718881 296320898 /nfs/dbraw/zinc/32/08/98/296320898.db2.gz XXYMUPYPIALSBP-YQVWRLOYSA-N 1 3 318.461 2.629 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723535 296321635 /nfs/dbraw/zinc/32/16/35/296321635.db2.gz RSPXXKIXEJVWNO-FZKQIMNGSA-N 1 3 323.431 2.517 20 0 DFADHO CN(CCCNCc1c(F)ccc(F)c1Cl)CC[NH+](C)C ZINC000623576025 399420603 /nfs/dbraw/zinc/42/06/03/399420603.db2.gz AIFYEQAFLLGYMA-UHFFFAOYSA-N 1 3 319.827 2.591 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cc(F)cc(Br)c1 ZINC000422730483 296323122 /nfs/dbraw/zinc/32/31/22/296323122.db2.gz JTUQXFGMSGABTE-MFKMUULPSA-N 1 3 301.203 2.805 20 0 DFADHO CN1CCCC[C@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000623656998 399436534 /nfs/dbraw/zinc/43/65/34/399436534.db2.gz HJJWGULISIOBRX-MJGOQNOKSA-N 1 3 318.461 2.676 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cc(OC)ccc1OC ZINC000269097089 207238629 /nfs/dbraw/zinc/23/86/29/207238629.db2.gz SDQJBESLWCDXDD-GOEBONIOSA-N 1 3 324.465 2.711 20 0 DFADHO C[NH2+]CCC1CCN(Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000346655184 284918370 /nfs/dbraw/zinc/91/83/70/284918370.db2.gz FMQAUPSQSHKAFA-UHFFFAOYSA-N 1 3 315.465 2.834 20 0 DFADHO COC(=O)c1cc(CNCCCCC[NH+]2CCCCC2)[nH]c1C ZINC000602537075 399470047 /nfs/dbraw/zinc/47/00/47/399470047.db2.gz NJHKCLQOXWGMOP-UHFFFAOYSA-N 1 3 321.465 2.856 20 0 DFADHO C[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)c1cnccc1N ZINC000422741144 296324364 /nfs/dbraw/zinc/32/43/64/296324364.db2.gz OFTQZHCPXNWHIN-ZOBUZTSGSA-N 1 3 310.445 2.980 20 0 DFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422735509 296323778 /nfs/dbraw/zinc/32/37/78/296323778.db2.gz DZZJAKFGCCPALP-BNEJOLLZSA-N 1 3 306.425 2.676 20 0 DFADHO CC[C@H](NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422735800 296323875 /nfs/dbraw/zinc/32/38/75/296323875.db2.gz WRXKMUUJWYAJBE-GBESFXJTSA-N 1 3 301.478 2.944 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1cccc(-n2ccnc2)c1 ZINC000422747320 296325824 /nfs/dbraw/zinc/32/58/24/296325824.db2.gz PURSBJQIYBYLNM-JXFKEZNVSA-N 1 3 320.440 2.920 20 0 DFADHO CC(C)NC(=O)[C@@H]1CCC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422745735 296325336 /nfs/dbraw/zinc/32/53/36/296325336.db2.gz MTKHDJCCOLABPC-NONVJHHQSA-N 1 3 315.461 2.804 20 0 DFADHO COc1cccc([C@H](CN[C@@H](C)C[C@@H](C)[NH3+])N2CCCC2)c1 ZINC000422754341 296327245 /nfs/dbraw/zinc/32/72/45/296327245.db2.gz GVWSXQPOAKWYCF-VKJFTORMSA-N 1 3 305.466 2.548 20 0 DFADHO COc1cccc([C@H](CN[C@H](C)C[C@@H](C)[NH3+])N2CCCC2)c1 ZINC000422754340 296327347 /nfs/dbraw/zinc/32/73/47/296327347.db2.gz GVWSXQPOAKWYCF-RKVPGOIHSA-N 1 3 305.466 2.548 20 0 DFADHO c1ccc(OCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422756092 296327413 /nfs/dbraw/zinc/32/74/13/296327413.db2.gz LGIQTJZULBFODE-QUCCMNQESA-N 1 3 324.424 2.911 20 0 DFADHO c1ccc(OCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422756090 296327476 /nfs/dbraw/zinc/32/74/76/296327476.db2.gz LGIQTJZULBFODE-AZUAARDMSA-N 1 3 324.424 2.911 20 0 DFADHO C[C@H](NCC1(c2cccc(Cl)c2)CCOCC1)C1C[NH2+]C1 ZINC000422760362 296328193 /nfs/dbraw/zinc/32/81/93/296328193.db2.gz LXCATAJQRFAXOD-ZDUSSCGKSA-N 1 3 308.853 2.586 20 0 DFADHO C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C1CNC1 ZINC000422760362 296328194 /nfs/dbraw/zinc/32/81/94/296328194.db2.gz LXCATAJQRFAXOD-ZDUSSCGKSA-N 1 3 308.853 2.586 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCn1cnc2ccccc21 ZINC000422765311 296329094 /nfs/dbraw/zinc/32/90/94/296329094.db2.gz QTNQUWJPEQVMTK-CYBMUJFWSA-N 1 3 309.417 2.549 20 0 DFADHO C[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@H]1CCCCO1 ZINC000623866258 399482727 /nfs/dbraw/zinc/48/27/27/399482727.db2.gz PZQKDIKITHCUSX-CRAIPNDOSA-N 1 3 306.450 2.674 20 0 DFADHO Cc1cccc(N2CCC([NH2+][C@@H]3CCCCC[C@@H]3N)CC2)n1 ZINC000422765702 296329497 /nfs/dbraw/zinc/32/94/97/296329497.db2.gz RCGGGWAVXRJVHQ-DLBZAZTESA-N 1 3 302.466 2.608 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422782222 296331848 /nfs/dbraw/zinc/33/18/48/296331848.db2.gz FZDQXOUQUKAYDP-KSSFIOAISA-N 1 3 316.424 2.661 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422782222 296331850 /nfs/dbraw/zinc/33/18/50/296331850.db2.gz FZDQXOUQUKAYDP-KSSFIOAISA-N 1 3 316.424 2.661 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccccc1C(F)(F)F ZINC000422778668 296331363 /nfs/dbraw/zinc/33/13/63/296331363.db2.gz HVUYRLAUIZTEFB-SUHUHFCYSA-N 1 3 302.340 2.547 20 0 DFADHO CN(C)C1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)Cc2ccccc2C1 ZINC000422785243 296332330 /nfs/dbraw/zinc/33/23/30/296332330.db2.gz PFPGNRXJXFFYKB-VQTJNVASSA-N 1 3 321.468 2.820 20 0 DFADHO CN(C)C1(C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)CCCC1 ZINC000422791818 296333643 /nfs/dbraw/zinc/33/36/43/296333643.db2.gz VGKLCVATVKCALZ-QZTJIDSGSA-N 1 3 301.478 2.944 20 0 DFADHO CC[C@@H](NCCCn1cnc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422793336 296333815 /nfs/dbraw/zinc/33/38/15/296333815.db2.gz XZRQHEYZNMDIES-CVEARBPZSA-N 1 3 300.450 2.937 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCNc1ncc(Cl)cc1Cl ZINC000422795175 296333966 /nfs/dbraw/zinc/33/39/66/296333966.db2.gz ZUOAUSCCQBIHGZ-GWCFXTLKSA-N 1 3 317.264 2.778 20 0 DFADHO N[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422794209 296333978 /nfs/dbraw/zinc/33/39/78/296333978.db2.gz YLHLCEMWNWWYOH-IAGOWNOFSA-N 1 3 307.869 2.774 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422794209 296333979 /nfs/dbraw/zinc/33/39/79/296333979.db2.gz YLHLCEMWNWWYOH-IAGOWNOFSA-N 1 3 307.869 2.774 20 0 DFADHO Cc1ccc(O[C@H](C)CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422795502 296334384 /nfs/dbraw/zinc/33/43/84/296334384.db2.gz VTUXXPDUBPMUSN-QXCFHYIPSA-N 1 3 318.461 2.509 20 0 DFADHO C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)C[C@H](C)O1 ZINC000422795891 296334525 /nfs/dbraw/zinc/33/45/25/296334525.db2.gz IGOOYQHLYXSYSG-LTCOOKNTSA-N 1 3 317.477 2.609 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1nc(C(F)(F)F)cs1 ZINC000422801668 296335625 /nfs/dbraw/zinc/33/56/25/296335625.db2.gz CJIDZCOZWORQDC-NXEZZACHSA-N 1 3 307.385 2.682 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC000422797592 296334893 /nfs/dbraw/zinc/33/48/93/296334893.db2.gz NNJCARYBBNTVES-FGTMMUONSA-N 1 3 305.466 2.548 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@H]1CCC[C@H]1N)c1cccc(OC)c1 ZINC000422797592 296334894 /nfs/dbraw/zinc/33/48/94/296334894.db2.gz NNJCARYBBNTVES-FGTMMUONSA-N 1 3 305.466 2.548 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422796933 296334913 /nfs/dbraw/zinc/33/49/13/296334913.db2.gz ZMSWPUKTKHCXAE-KBXCAEBGSA-N 1 3 316.424 2.532 20 0 DFADHO CCN(CC)[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422798727 296335163 /nfs/dbraw/zinc/33/51/63/296335163.db2.gz SNRNFOCBMQLADV-SNRMKQJTSA-N 1 3 319.493 2.808 20 0 DFADHO c1ccc([C@@H]2C[C@H]([NH2+]CCN3CCCCCC3)CCN2)cc1 ZINC000422805527 296336062 /nfs/dbraw/zinc/33/60/62/296336062.db2.gz JHWXBTQOQUXGDD-MOPGFXCFSA-N 1 3 301.478 2.945 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCc2ccccc2C1)[C@@H]1CCCCN1 ZINC000422807020 296336773 /nfs/dbraw/zinc/33/67/73/296336773.db2.gz LOXRJYYPRCDPFI-UXHICEINSA-N 1 3 315.505 2.945 20 0 DFADHO CN(C)c1cc(CN[C@H]2CCCC[C@H]2C[NH3+])c2ccccc2n1 ZINC000422806476 296336735 /nfs/dbraw/zinc/33/67/35/296336735.db2.gz KXXUEJFGRACZAV-YOEHRIQHSA-N 1 3 312.461 2.908 20 0 DFADHO CN(C)c1cc(C[NH2+][C@H]2CCCC[C@H]2CN)c2ccccc2n1 ZINC000422806476 296336736 /nfs/dbraw/zinc/33/67/36/296336736.db2.gz KXXUEJFGRACZAV-YOEHRIQHSA-N 1 3 312.461 2.908 20 0 DFADHO CN(C)c1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])c2ccccc2n1 ZINC000422806473 296336739 /nfs/dbraw/zinc/33/67/39/296336739.db2.gz KXXUEJFGRACZAV-PBHICJAKSA-N 1 3 312.461 2.908 20 0 DFADHO CN(C)c1cc(C[NH2+][C@H]2CCCC[C@@H]2CN)c2ccccc2n1 ZINC000422806473 296336740 /nfs/dbraw/zinc/33/67/40/296336740.db2.gz KXXUEJFGRACZAV-PBHICJAKSA-N 1 3 312.461 2.908 20 0 DFADHO CN(C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422811095 296337377 /nfs/dbraw/zinc/33/73/77/296337377.db2.gz TZLNCYDFXTYYJU-GUDVDZBRSA-N 1 3 301.478 2.759 20 0 DFADHO Brc1ccccc1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422824947 296339534 /nfs/dbraw/zinc/33/95/34/296339534.db2.gz IOFHMXUCUINOBB-PBWFPOADSA-N 1 3 309.251 2.864 20 0 DFADHO CC[C@H](NCc1ccccc1OCCN(C)C)[C@H]1CCCC[NH2+]1 ZINC000422824846 296339617 /nfs/dbraw/zinc/33/96/17/296339617.db2.gz OQSDYOQIAHEZFJ-ZWKOTPCHSA-N 1 3 319.493 2.637 20 0 DFADHO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1CN)c1ccc2c(c1)OCCO2 ZINC000422824993 296339906 /nfs/dbraw/zinc/33/99/06/296339906.db2.gz OVDMQYZFLCACPV-ZBFHGGJFSA-N 1 3 318.461 2.843 20 0 DFADHO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422826008 296340128 /nfs/dbraw/zinc/34/01/28/296340128.db2.gz QLOCWLDVSUBHBG-QAPCUYQASA-N 1 3 313.445 2.757 20 0 DFADHO FC(F)(F)CN1CCC(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422821091 296339410 /nfs/dbraw/zinc/33/94/10/296339410.db2.gz UJYMUZDRCGVEPR-YIONKMFJSA-N 1 3 319.415 2.523 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422820213 296339424 /nfs/dbraw/zinc/33/94/24/296339424.db2.gz PLUBDIPFEHGQOV-ZWKOTPCHSA-N 1 3 312.461 2.581 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCc1nccn1Cc1ccccc1 ZINC000422820213 296339426 /nfs/dbraw/zinc/33/94/26/296339426.db2.gz PLUBDIPFEHGQOV-ZWKOTPCHSA-N 1 3 312.461 2.581 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)Cc1ccccc1 ZINC000422829491 296340756 /nfs/dbraw/zinc/34/07/56/296340756.db2.gz HPBRERQHLPYHJT-NEWSRXKRSA-N 1 3 303.494 2.527 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2C[NH2+]CC[C@H]2C)N2CCCC2)cc1 ZINC000422835887 296342131 /nfs/dbraw/zinc/34/21/31/296342131.db2.gz ZFBUJFPQEJLEIL-NEWSRXKRSA-N 1 3 301.478 2.720 20 0 DFADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422841298 296342825 /nfs/dbraw/zinc/34/28/25/296342825.db2.gz VOKLGYNWZWRPFU-VYDXJSESSA-N 1 3 307.507 2.548 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000422846391 296343968 /nfs/dbraw/zinc/34/39/68/296343968.db2.gz FJKDSWVNEAXUCH-FHLIZLRMSA-N 1 3 320.452 2.850 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000422865465 296347030 /nfs/dbraw/zinc/34/70/30/296347030.db2.gz YEIZORRIJBUCLL-ILZDJORESA-N 1 3 309.457 2.813 20 0 DFADHO c1cn(-c2ccccc2)nc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422857596 296345968 /nfs/dbraw/zinc/34/59/68/296345968.db2.gz HBQFJBSWUTVFKI-AQNXPRMDSA-N 1 3 324.472 2.925 20 0 DFADHO C[C@H](N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000422872822 296347914 /nfs/dbraw/zinc/34/79/14/296347914.db2.gz ITQQVDPBRSXMMU-RNIPGJKVSA-N 1 3 301.478 2.627 20 0 DFADHO CCOCCOCc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)c1 ZINC000422867546 296347475 /nfs/dbraw/zinc/34/74/75/296347475.db2.gz SHDROFAMKOFHPI-RBUKOAKNSA-N 1 3 320.477 2.989 20 0 DFADHO C[C@H](N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422873757 296348381 /nfs/dbraw/zinc/34/83/81/296348381.db2.gz MBFOMZVZAUHZIA-KCITZHQASA-N 1 3 301.478 2.770 20 0 DFADHO CCN(CCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)C1CC1 ZINC000422874771 296348742 /nfs/dbraw/zinc/34/87/42/296348742.db2.gz BBGCMODYNUBBAU-RTBURBONSA-N 1 3 317.477 2.562 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000347392388 285028488 /nfs/dbraw/zinc/02/84/88/285028488.db2.gz LCDJNMKAGBCWCY-SCTDSRPQSA-N 1 3 324.509 2.767 20 0 DFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H](N)CC2CCCCC2)cc1 ZINC000422883994 296350226 /nfs/dbraw/zinc/35/02/26/296350226.db2.gz DKEHKSKLSZNVNN-DYVFJYSZSA-N 1 3 303.450 2.620 20 0 DFADHO CCOc1ccc(C2(CN[C@H]3CCC[C@H]3[NH3+])CCOCC2)cc1 ZINC000422885962 296350415 /nfs/dbraw/zinc/35/04/15/296350415.db2.gz ZTHOIDQMHBJWJP-MSOLQXFVSA-N 1 3 318.461 2.603 20 0 DFADHO CC[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)[C@H]1CCCCN1 ZINC000422879086 296349400 /nfs/dbraw/zinc/34/94/00/296349400.db2.gz UKSLUBAWWFUYLX-VNQPRFMTSA-N 1 3 322.884 2.824 20 0 DFADHO CC[C@H](N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422879653 296349488 /nfs/dbraw/zinc/34/94/88/296349488.db2.gz VVJPCLYEIAVLRK-WNHJNPCNSA-N 1 3 301.478 2.770 20 0 DFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC[C@@H]1CCCS1 ZINC000422881799 296349664 /nfs/dbraw/zinc/34/96/64/296349664.db2.gz ZBRFKPZPECTCML-JLJPHGGASA-N 1 3 304.459 2.728 20 0 DFADHO COc1cc(OC)c(CCN[C@H]2CCCCC[C@@H]2[NH3+])c(OC)c1 ZINC000422886825 296350998 /nfs/dbraw/zinc/35/09/98/296350998.db2.gz JSRPFHXQGXGBPM-HOTGVXAUSA-N 1 3 322.449 2.505 20 0 DFADHO C[C@H](CO)N(CC[C@@H]1CCC[N@@H+]1C)C[C@@H](C)c1ccccc1 ZINC000347410319 285039161 /nfs/dbraw/zinc/03/91/61/285039161.db2.gz AKHRWUIXMYXYRM-LMMKCTJWSA-N 1 3 304.478 2.957 20 0 DFADHO C[C@H](CO)N(CC[C@@H]1CCC[N@H+]1C)C[C@@H](C)c1ccccc1 ZINC000347410319 285039164 /nfs/dbraw/zinc/03/91/64/285039164.db2.gz AKHRWUIXMYXYRM-LMMKCTJWSA-N 1 3 304.478 2.957 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000422904434 296353943 /nfs/dbraw/zinc/35/39/43/296353943.db2.gz PYCPUPZVOZJRON-WBVHZDCISA-N 1 3 316.424 2.927 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccsc1 ZINC000119968529 195071293 /nfs/dbraw/zinc/07/12/93/195071293.db2.gz WYCPLXXFSJIOOR-WBVHZDCISA-N 1 3 323.506 2.637 20 0 DFADHO c1c2ccccc2oc1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422919951 296355700 /nfs/dbraw/zinc/35/57/00/296355700.db2.gz LEBFMWRYAZLYSG-OKZBNKHCSA-N 1 3 314.429 2.722 20 0 DFADHO C[C@@H](NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000422910504 296355005 /nfs/dbraw/zinc/35/50/05/296355005.db2.gz QVCDVEGHNFEHEM-KDOFPFPSSA-N 1 3 321.896 2.892 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ccc(Cl)cn1 ZINC000422931028 296356965 /nfs/dbraw/zinc/35/69/65/296356965.db2.gz WQLSXHXPFGOUBG-LLVKDONJSA-N 1 3 320.824 2.627 20 0 DFADHO [NH3+]C1CCC(NCc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000422939722 296358401 /nfs/dbraw/zinc/35/84/01/296358401.db2.gz IGOKVCUQZDAWCD-UHFFFAOYSA-N 1 3 310.445 2.721 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1cccc(F)c1 ZINC000422935797 296357434 /nfs/dbraw/zinc/35/74/34/296357434.db2.gz DRZHVOWGTLVSMU-LBPRGKRZSA-N 1 3 303.381 2.717 20 0 DFADHO CC(C)c1noc(CCC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)n1 ZINC000422938096 296357811 /nfs/dbraw/zinc/35/78/11/296357811.db2.gz PIOYIXUIUMBWIR-HUUCEWRRSA-N 1 3 300.406 2.860 20 0 DFADHO C[C@H](CCCC[NH3+])NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000422946755 296359383 /nfs/dbraw/zinc/35/93/83/296359383.db2.gz PFELBAIZLAXVBG-OAHLLOKOSA-N 1 3 312.461 2.968 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOc1ccc(C(F)(F)F)cc1 ZINC000422948446 296359700 /nfs/dbraw/zinc/35/97/00/296359700.db2.gz RIFXUAKHZNIHPB-RISCZKNCSA-N 1 3 302.340 2.801 20 0 DFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000347502793 285061349 /nfs/dbraw/zinc/06/13/49/285061349.db2.gz IKOUWNUMTFZMMT-SFHVURJKSA-N 1 3 315.461 2.674 20 0 DFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000347502793 285061351 /nfs/dbraw/zinc/06/13/51/285061351.db2.gz IKOUWNUMTFZMMT-SFHVURJKSA-N 1 3 315.461 2.674 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(OC2CCCC2)cc1 ZINC000422948506 296359776 /nfs/dbraw/zinc/35/97/76/296359776.db2.gz SBAYLJVGUTXGAO-KYNGSXCRSA-N 1 3 318.461 2.850 20 0 DFADHO CC(C)c1noc(CCCN[C@H](Cc2ccccc2)[C@H](C)[NH3+])n1 ZINC000422943621 296358772 /nfs/dbraw/zinc/35/87/72/296358772.db2.gz YNSNNRPIOOOPIH-GOEBONIOSA-N 1 3 316.449 2.674 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCCOc1ccccc1C(F)(F)F ZINC000422958077 296361115 /nfs/dbraw/zinc/36/11/15/296361115.db2.gz OLTBFTNVIIHZJQ-DGCLKSJQSA-N 1 3 302.340 2.801 20 0 DFADHO C[C@H](NCCCC(=O)Nc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000422951301 296360006 /nfs/dbraw/zinc/36/00/06/296360006.db2.gz XXUUGFBYQFXFQX-STQMWFEESA-N 1 3 309.841 2.646 20 0 DFADHO C[C@@H](NCCCC(=O)Nc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000422951299 296360110 /nfs/dbraw/zinc/36/01/10/296360110.db2.gz XXUUGFBYQFXFQX-OLZOCXBDSA-N 1 3 309.841 2.646 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCNC(=O)c1cccs1 ZINC000422954322 296360246 /nfs/dbraw/zinc/36/02/46/296360246.db2.gz IBSLRQXWGPSEPE-HUUCEWRRSA-N 1 3 323.506 2.768 20 0 DFADHO CCN(CC)C(=O)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000422954381 296360305 /nfs/dbraw/zinc/36/03/05/296360305.db2.gz HLSLRGQHYOICMO-IXDOHACOSA-N 1 3 309.498 2.535 20 0 DFADHO CC(C)(CO)[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000422962234 296361491 /nfs/dbraw/zinc/36/14/91/296361491.db2.gz CFHYALHOBLTUMJ-KURKYZTESA-N 1 3 304.478 2.896 20 0 DFADHO c1cn2c(n1)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CCC2 ZINC000422963685 296361673 /nfs/dbraw/zinc/36/16/73/296361673.db2.gz GKHZFKZWEXXBFZ-LUKYLMHMSA-N 1 3 302.466 2.661 20 0 DFADHO CC[C@H](NC1CCN([C@H](C)c2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422965575 296362010 /nfs/dbraw/zinc/36/20/10/296362010.db2.gz LQVJKEASWPMXEH-MNEFBYGVSA-N 1 3 316.493 2.727 20 0 DFADHO CCc1noc(-c2ccc(CC[NH2+][C@H]3CCC[C@H]3CN)cc2)n1 ZINC000422957639 296361139 /nfs/dbraw/zinc/36/11/39/296361139.db2.gz NUEWRUZPQCCKGL-HOTGVXAUSA-N 1 3 314.433 2.559 20 0 DFADHO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)[C@@H]1CCCCN1 ZINC000422970730 296362991 /nfs/dbraw/zinc/36/29/91/296362991.db2.gz WTTRWQPFFIZOHE-MDZRGWNJSA-N 1 3 316.493 2.727 20 0 DFADHO C[C@@H](NC1CCN([C@H](C)c2ccncc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422970730 296362993 /nfs/dbraw/zinc/36/29/93/296362993.db2.gz WTTRWQPFFIZOHE-MDZRGWNJSA-N 1 3 316.493 2.727 20 0 DFADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)[C@H]2CCCCN2)CC1 ZINC000422970725 296363103 /nfs/dbraw/zinc/36/31/03/296363103.db2.gz WTTRWQPFFIZOHE-FRQCXROJSA-N 1 3 316.493 2.727 20 0 DFADHO C[C@H](c1ccncc1)N1CCC(N[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422970725 296363105 /nfs/dbraw/zinc/36/31/05/296363105.db2.gz WTTRWQPFFIZOHE-FRQCXROJSA-N 1 3 316.493 2.727 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000422967056 296362600 /nfs/dbraw/zinc/36/26/00/296362600.db2.gz SDEHPSBLLSBYJJ-DOTOQJQBSA-N 1 3 312.461 2.701 20 0 DFADHO CCCOc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)cn1 ZINC000422972675 296363463 /nfs/dbraw/zinc/36/34/63/296363463.db2.gz AGOAFELSILHCQG-MAUKXSAKSA-N 1 3 313.445 2.919 20 0 DFADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1CCCCN1 ZINC000422989033 296364721 /nfs/dbraw/zinc/36/47/21/296364721.db2.gz LKOVXCGCROOHDO-RBUKOAKNSA-N 1 3 316.493 2.808 20 0 DFADHO Cc1cn2c(n1)[C@H](CN[C@H](C)C[C@H]1CCCCC[NH2+]1)CCC2 ZINC000423004103 296366103 /nfs/dbraw/zinc/36/61/03/296366103.db2.gz JEHVFAFUEYILDE-HYVNUMGLSA-N 1 3 304.482 2.969 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1c[nH]c2ncccc12 ZINC000423006485 296366860 /nfs/dbraw/zinc/36/68/60/296366860.db2.gz VKYDTICJXUVPGN-GFCCVEGCSA-N 1 3 309.417 2.618 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3CO2)[C@H]2CCC[C@H]21 ZINC000624055695 399537737 /nfs/dbraw/zinc/53/77/37/399537737.db2.gz MRABSRFVGYJZKO-ZSYWTGECSA-N 1 3 300.446 2.590 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3CO2)[C@H]2CCC[C@H]21 ZINC000624055695 399537739 /nfs/dbraw/zinc/53/77/39/399537739.db2.gz MRABSRFVGYJZKO-ZSYWTGECSA-N 1 3 300.446 2.590 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](O)CCc1ccccc1 ZINC000423026454 296369084 /nfs/dbraw/zinc/36/90/84/296369084.db2.gz BGJODNKKMJOZTI-NEWSRXKRSA-N 1 3 304.478 2.881 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](O)CCc1ccccc1 ZINC000423026457 296369303 /nfs/dbraw/zinc/36/93/03/296369303.db2.gz BGJODNKKMJOZTI-QRQLOZEOSA-N 1 3 304.478 2.881 20 0 DFADHO Fc1cc(N2CC[C@H](N[C@H]3CCC[NH2+]CC3)C2)ccc1Cl ZINC000423025628 296369325 /nfs/dbraw/zinc/36/93/25/296369325.db2.gz ORQODEPIGXPHHT-STQMWFEESA-N 1 3 311.832 2.790 20 0 DFADHO COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423020868 296368454 /nfs/dbraw/zinc/36/84/54/296368454.db2.gz DAESMXYVNOIMBQ-OAGGEKHMSA-N 1 3 306.450 2.688 20 0 DFADHO CSC1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000602725047 399541668 /nfs/dbraw/zinc/54/16/68/399541668.db2.gz IMPDJJNMOFIRJB-UHFFFAOYSA-N 1 3 308.491 2.954 20 0 DFADHO COc1ccc(OC)c(CCC[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000423018796 296368613 /nfs/dbraw/zinc/36/86/13/296368613.db2.gz ZTRJGFJGNWQLND-RDJZCZTQSA-N 1 3 306.450 2.744 20 0 DFADHO Cc1cccc2c1C[C@H](N[C@@H]1CC[N@@H+](C)[C@H]3CCC[C@@H]31)CO2 ZINC000624070619 399543209 /nfs/dbraw/zinc/54/32/09/399543209.db2.gz LFHWPAFYBBHEPZ-IDCNUPLLSA-N 1 3 300.446 2.761 20 0 DFADHO Cc1cccc2c1C[C@H](N[C@@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)CO2 ZINC000624070619 399543213 /nfs/dbraw/zinc/54/32/13/399543213.db2.gz LFHWPAFYBBHEPZ-IDCNUPLLSA-N 1 3 300.446 2.761 20 0 DFADHO Fc1ccc(-c2noc(CCCN[C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000423030895 296369898 /nfs/dbraw/zinc/36/98/98/296369898.db2.gz KDUMGJWSYVWXQY-HNNXBMFYSA-N 1 3 318.396 2.540 20 0 DFADHO C[C@@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)C1CNC1 ZINC000423036752 296370666 /nfs/dbraw/zinc/37/06/66/296370666.db2.gz USEWSAWQGWANKR-SNVBAGLBSA-N 1 3 322.250 2.670 20 0 DFADHO C[C@@H](NCCc1c[nH]c2ccc(Br)cc12)C1C[NH2+]C1 ZINC000423036752 296370667 /nfs/dbraw/zinc/37/06/67/296370667.db2.gz USEWSAWQGWANKR-SNVBAGLBSA-N 1 3 322.250 2.670 20 0 DFADHO O[C@H](CCc1ccccc1)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423038250 296370703 /nfs/dbraw/zinc/37/07/03/296370703.db2.gz YAJHOVZZUSSMSP-UAFMIMERSA-N 1 3 316.489 2.881 20 0 DFADHO C[C@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000423038628 296370734 /nfs/dbraw/zinc/37/07/34/296370734.db2.gz DDZPNOPBFVTUOJ-XQQFMLRXSA-N 1 3 311.832 2.645 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1nn(C)c2ccccc12 ZINC000423045571 296371576 /nfs/dbraw/zinc/37/15/76/296371576.db2.gz CFKGTABHNLINPQ-ZDUSSCGKSA-N 1 3 323.444 2.629 20 0 DFADHO C[C@H](N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C)[C@@H]1CC[NH2+]C1 ZINC000423053374 296372516 /nfs/dbraw/zinc/37/25/16/296372516.db2.gz RUMLZZJADGGSJW-DZOHQFGASA-N 1 3 302.462 2.958 20 0 DFADHO Cc1cccc(C[C@H](CO)N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423053565 296372545 /nfs/dbraw/zinc/37/25/45/296372545.db2.gz ARJNPHIIAKQXGI-YSTOQKLRSA-N 1 3 316.489 2.799 20 0 DFADHO CN(C)[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423050022 296372101 /nfs/dbraw/zinc/37/21/01/296372101.db2.gz LBKYWULSYRZNOE-QLFBSQMISA-N 1 3 315.383 2.778 20 0 DFADHO CN(C)[C@H](C[NH2+][C@H]1CCC[C@H]1N)c1cccc(C(F)(F)F)c1 ZINC000423050022 296372102 /nfs/dbraw/zinc/37/21/02/296372102.db2.gz LBKYWULSYRZNOE-QLFBSQMISA-N 1 3 315.383 2.778 20 0 DFADHO Cc1oc2ccccc2c1CCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423050063 296372170 /nfs/dbraw/zinc/37/21/70/296372170.db2.gz LFCVISXZNPRDMM-AFAVFJNCSA-N 1 3 302.418 2.626 20 0 DFADHO Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000423050063 296372171 /nfs/dbraw/zinc/37/21/71/296372171.db2.gz LFCVISXZNPRDMM-AFAVFJNCSA-N 1 3 302.418 2.626 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1ccccc1N1CCCCC1 ZINC000423048488 296372210 /nfs/dbraw/zinc/37/22/10/296372210.db2.gz WMYUNQMWLVPCOD-QGZVFWFLSA-N 1 3 305.466 2.520 20 0 DFADHO Cc1cc(C(F)(F)F)ccc1CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423062110 296373497 /nfs/dbraw/zinc/37/34/97/296373497.db2.gz SKYRPFNUUMADKY-TUKIKUTGSA-N 1 3 316.367 2.856 20 0 DFADHO Cc1ccccc1[C@H]([C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000423064661 296374205 /nfs/dbraw/zinc/37/42/05/296374205.db2.gz ZKEMFHJTAMWDQR-XZJGIMNOSA-N 1 3 301.478 2.859 20 0 DFADHO CCN(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CCC(F)(F)F ZINC000423067882 296374425 /nfs/dbraw/zinc/37/44/25/296374425.db2.gz ALTMGCQLVLYVLP-ZNMIVQPWSA-N 1 3 321.431 2.771 20 0 DFADHO CC(C)n1ncc2c1C[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CC2 ZINC000423069550 296374438 /nfs/dbraw/zinc/37/44/38/296374438.db2.gz DUYKKBRBNXUMQE-BRSBDYLESA-N 1 3 316.493 2.832 20 0 DFADHO C[C@H](O)[C@](C)(CN[C@H]1CCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000423070159 296374562 /nfs/dbraw/zinc/37/45/62/296374562.db2.gz FQGSJQZOUMBNGU-NQYYFHDYSA-N 1 3 304.478 2.866 20 0 DFADHO CN(Cc1ccccc1)[C@@H](CN[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000423063736 296373880 /nfs/dbraw/zinc/37/38/80/296373880.db2.gz POBCBVKIFNWIOB-MOPGFXCFSA-N 1 3 301.478 2.629 20 0 DFADHO CCC(O)(CC)CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423074577 296375399 /nfs/dbraw/zinc/37/53/99/296375399.db2.gz UZYJSTNZRAYEON-VQIMIIECSA-N 1 3 318.461 2.773 20 0 DFADHO CCCOc1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c(C)c1 ZINC000423076155 296375506 /nfs/dbraw/zinc/37/55/06/296375506.db2.gz YGSUWTJQRGZRSL-JCGIZDLHSA-N 1 3 306.450 2.626 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000423097274 296377837 /nfs/dbraw/zinc/37/78/37/296377837.db2.gz QPCXPKFERQIBFY-MLHJIOFPSA-N 1 3 321.509 2.678 20 0 DFADHO CC(C)c1ccc(O[C@H](C)CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000423102260 296378671 /nfs/dbraw/zinc/37/86/71/296378671.db2.gz DSRZYEILKMSELQ-OHDICMOHSA-N 1 3 320.477 2.919 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc2c(c1)OCCO2 ZINC000624119720 399558946 /nfs/dbraw/zinc/55/89/46/399558946.db2.gz HZKHECUYCYRDQE-LSDHHAIUSA-N 1 3 304.434 2.840 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000616997973 399560170 /nfs/dbraw/zinc/56/01/70/399560170.db2.gz DPYXZCMDXBSCLJ-NVXWUHKLSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000616997973 399560173 /nfs/dbraw/zinc/56/01/73/399560173.db2.gz DPYXZCMDXBSCLJ-NVXWUHKLSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121625 399560285 /nfs/dbraw/zinc/56/02/85/399560285.db2.gz ZCCQZLYNLLSNEA-IRXDYDNUSA-N 1 3 317.477 2.750 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121625 399560288 /nfs/dbraw/zinc/56/02/88/399560288.db2.gz ZCCQZLYNLLSNEA-IRXDYDNUSA-N 1 3 317.477 2.750 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121625 399560291 /nfs/dbraw/zinc/56/02/91/399560291.db2.gz ZCCQZLYNLLSNEA-IRXDYDNUSA-N 1 3 317.477 2.750 20 0 DFADHO C[C@](CO)(CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423110605 296379511 /nfs/dbraw/zinc/37/95/11/296379511.db2.gz PGZUZQCLLPYDMO-IYWMVGAKSA-N 1 3 316.489 2.837 20 0 DFADHO CCCN1CCC[C@H]1C[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000423112933 296379984 /nfs/dbraw/zinc/37/99/84/296379984.db2.gz SVQCTXDVZOTIMN-CEXWTWQISA-N 1 3 301.478 2.944 20 0 DFADHO CC(C)Cc1ccc([C@@H](CN[C@@H](C)C2C[NH2+]C2)N(C)C)cc1 ZINC000423118511 296380860 /nfs/dbraw/zinc/38/08/60/296380860.db2.gz AXKAZMPLHBZCAL-HNAYVOBHSA-N 1 3 303.494 2.685 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423123701 296381004 /nfs/dbraw/zinc/38/10/04/296381004.db2.gz LQROWGMJTVSDAJ-MEBFFEOJSA-N 1 3 308.388 2.697 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000423121512 296381227 /nfs/dbraw/zinc/38/12/27/296381227.db2.gz IPNLHDZSFLOSDZ-HKUYNNGSSA-N 1 3 319.493 2.808 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](CO)C1CCCCC1 ZINC000423129543 296381864 /nfs/dbraw/zinc/38/18/64/296381864.db2.gz FFMCFMZQKXDJQX-ZYSHUDEJSA-N 1 3 304.478 2.723 20 0 DFADHO c1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423132253 296382787 /nfs/dbraw/zinc/38/27/87/296382787.db2.gz PCHUVSFWZFFHDM-VNTMZGSJSA-N 1 3 314.473 2.927 20 0 DFADHO Cn1ccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000158512182 197279843 /nfs/dbraw/zinc/27/98/43/197279843.db2.gz XFWGGBHKNSHLEK-UHFFFAOYSA-N 1 3 315.436 2.961 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423145844 296384512 /nfs/dbraw/zinc/38/45/12/296384512.db2.gz MUULHQCFUXSQBI-VERFIZQUSA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423145844 296384515 /nfs/dbraw/zinc/38/45/15/296384515.db2.gz MUULHQCFUXSQBI-VERFIZQUSA-N 1 3 308.853 2.928 20 0 DFADHO Cc1nc(CN[C@H](C)CCCC[NH3+])sc1Br ZINC000423157643 296386153 /nfs/dbraw/zinc/38/61/53/296386153.db2.gz MUMJLCGFJMTVOW-MRVPVSSYSA-N 1 3 306.273 2.821 20 0 DFADHO C[C@H](NCCOc1ccc(Cl)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000423159685 296386463 /nfs/dbraw/zinc/38/64/63/296386463.db2.gz PSDDCLIYMKIDJR-WDEREUQCSA-N 1 3 303.233 2.960 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423172195 296387603 /nfs/dbraw/zinc/38/76/03/296387603.db2.gz RTBQNWNDIRUAED-GLRJYAJPSA-N 1 3 312.816 2.677 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000423174025 296388098 /nfs/dbraw/zinc/38/80/98/296388098.db2.gz AZWKKBHKXSRZKD-GDAAHCPNSA-N 1 3 320.452 2.802 20 0 DFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)C1(O)CCCC1 ZINC000423168333 296387393 /nfs/dbraw/zinc/38/73/93/296387393.db2.gz UJWMTEXSBJXGJW-NVXWUHKLSA-N 1 3 304.478 2.866 20 0 DFADHO COc1cccc2c1C[C@H](N[C@H](Cc1ccccc1)[C@@H](C)[NH3+])C2 ZINC000423173619 296388309 /nfs/dbraw/zinc/38/83/09/296388309.db2.gz ZLEMFVSTFRWYIW-LSBZLQRGSA-N 1 3 310.441 2.711 20 0 DFADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000617011492 399572454 /nfs/dbraw/zinc/57/24/54/399572454.db2.gz GDZFNAVRBMOYQZ-WBVHZDCISA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000617011492 399572459 /nfs/dbraw/zinc/57/24/59/399572459.db2.gz GDZFNAVRBMOYQZ-WBVHZDCISA-N 1 3 321.509 2.630 20 0 DFADHO Cc1cccc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)c1F ZINC000294654143 224145609 /nfs/dbraw/zinc/14/56/09/224145609.db2.gz BPNJRMGRBXKZHR-HNNXBMFYSA-N 1 3 308.441 2.659 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C[C@H](C)O ZINC000157639691 197204136 /nfs/dbraw/zinc/20/41/36/197204136.db2.gz BLAKIKWWALVVLR-PMPSAXMXSA-N 1 3 308.466 2.685 20 0 DFADHO CO[C@H](c1ccccc1)[C@@H](C)NCCC[NH2+]Cc1cccnc1 ZINC000423194272 296390868 /nfs/dbraw/zinc/39/08/68/296390868.db2.gz YTQBWABBFNWJSJ-APWZRJJASA-N 1 3 313.445 2.927 20 0 DFADHO CCc1c2ccccc2oc1[C@@H](C)NCCCN1CC[NH2+]CC1 ZINC000423195574 296391126 /nfs/dbraw/zinc/39/11/26/296391126.db2.gz ZLGPHYDIDVARRJ-OAHLLOKOSA-N 1 3 315.461 2.941 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2c(F)cccc2F)CCC1 ZINC000423195688 296391152 /nfs/dbraw/zinc/39/11/52/296391152.db2.gz YBYSBDLPSKWRKN-XEZPLFJOSA-N 1 3 324.415 2.728 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423195688 296391153 /nfs/dbraw/zinc/39/11/53/296391153.db2.gz YBYSBDLPSKWRKN-XEZPLFJOSA-N 1 3 324.415 2.728 20 0 DFADHO CC[C@H](NCCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423199526 296391520 /nfs/dbraw/zinc/39/15/20/296391520.db2.gz BUAYDZFSHKUMQP-HNNXBMFYSA-N 1 3 316.276 2.939 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCNC2)c(C)c1OC ZINC000423212348 296392975 /nfs/dbraw/zinc/39/29/75/296392975.db2.gz IFOYKFCNFATPGB-JLJPHGGASA-N 1 3 320.477 2.921 20 0 DFADHO Cc1cc2cc([C@@H](C)NCCN3CC[NH2+]CC3)oc2cc1C ZINC000423211440 296392751 /nfs/dbraw/zinc/39/27/51/296392751.db2.gz YEFINESWHILYGX-OAHLLOKOSA-N 1 3 301.434 2.605 20 0 DFADHO COc1ccc(C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1OC ZINC000423214091 296393185 /nfs/dbraw/zinc/39/31/85/296393185.db2.gz LVSPHXADQANYSP-QIXHYMPYSA-N 1 3 318.461 2.816 20 0 DFADHO Cc1c([C@@H](C)NC2CCC([NH3+])CC2)nnn1-c1ccc(F)cc1 ZINC000423215798 296393349 /nfs/dbraw/zinc/39/33/49/296393349.db2.gz NNPQRTKUIDQZOB-VCANKDNSSA-N 1 3 317.412 2.635 20 0 DFADHO Cc1c([C@H](C)NC2CCC([NH3+])CC2)nnn1-c1ccc(F)cc1 ZINC000423215796 296393493 /nfs/dbraw/zinc/39/34/93/296393493.db2.gz NNPQRTKUIDQZOB-QGLTVNCISA-N 1 3 317.412 2.635 20 0 DFADHO COc1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1Br ZINC000423222729 296394283 /nfs/dbraw/zinc/39/42/83/296394283.db2.gz CHBRVBNSKBGEKO-VHSXEESVSA-N 1 3 301.228 2.846 20 0 DFADHO COC(=O)CCCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156963078 197153043 /nfs/dbraw/zinc/15/30/43/197153043.db2.gz JJOILZMNCOXNSQ-WMZOPIPTSA-N 1 3 318.461 2.925 20 0 DFADHO COC(=O)CCCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156963078 197153045 /nfs/dbraw/zinc/15/30/45/197153045.db2.gz JJOILZMNCOXNSQ-WMZOPIPTSA-N 1 3 318.461 2.925 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000423259513 296397600 /nfs/dbraw/zinc/39/76/00/296397600.db2.gz FCKGVNPNBLNCPY-YJBOKZPZSA-N 1 3 317.477 2.925 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCC[C@H]2CN)cc1OC ZINC000423270275 296399202 /nfs/dbraw/zinc/39/92/02/296399202.db2.gz IAGDNKYWVCPEIL-DZKIICNBSA-N 1 3 306.450 2.660 20 0 DFADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(C(=O)N(C)C)cc1 ZINC000423278061 296400227 /nfs/dbraw/zinc/40/02/27/296400227.db2.gz PCSIQRHEVFGDIJ-JQFCIGGWSA-N 1 3 303.450 2.557 20 0 DFADHO CC(C)(C)C1CCC(NCc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000629417140 399597503 /nfs/dbraw/zinc/59/75/03/399597503.db2.gz NJKMGALJFIWNSL-XUJLQICISA-N 1 3 305.470 2.507 20 0 DFADHO CCC(C)(C)C1CCC(NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000629420050 399598797 /nfs/dbraw/zinc/59/87/97/399598797.db2.gz RNCVUQFVBPMGEF-VMBOVVBDSA-N 1 3 319.497 2.897 20 0 DFADHO COC[C@@H](CC(C)C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000358035329 285218291 /nfs/dbraw/zinc/21/82/91/285218291.db2.gz IHNZRJBXYYACKJ-IXDOHACOSA-N 1 3 300.487 2.527 20 0 DFADHO Brc1ccc2c(c1)CC[C@@H](NC[C@@H]1CC[NH2+]C1)C2 ZINC000423347130 296406949 /nfs/dbraw/zinc/40/69/49/296406949.db2.gz QSQIQPCKGVFFBY-IAQYHMDHSA-N 1 3 309.251 2.506 20 0 DFADHO Brc1cccc2c1C[C@H](NC[C@@H]1CC[NH2+]C1)CC2 ZINC000423346975 296407126 /nfs/dbraw/zinc/40/71/26/296407126.db2.gz QLHCFPUXTYOILS-DGCLKSJQSA-N 1 3 309.251 2.506 20 0 DFADHO C[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)N1CCC(C)CC1 ZINC000423361265 296408479 /nfs/dbraw/zinc/40/84/79/296408479.db2.gz RJVCAGUITTZASO-CABCVRRESA-N 1 3 303.450 2.557 20 0 DFADHO C[C@H](Cc1cnccn1)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347900296 285232779 /nfs/dbraw/zinc/23/27/79/285232779.db2.gz JMLQZCYXZDJIBR-ZIFCJYIRSA-N 1 3 324.472 2.908 20 0 DFADHO C[C@H](Cc1cnccn1)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347900296 285232781 /nfs/dbraw/zinc/23/27/81/285232781.db2.gz JMLQZCYXZDJIBR-ZIFCJYIRSA-N 1 3 324.472 2.908 20 0 DFADHO CC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000423383082 296410944 /nfs/dbraw/zinc/41/09/44/296410944.db2.gz GNAWWEZNLCNDFC-QWHCGFSZSA-N 1 3 321.412 2.625 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423384340 296411016 /nfs/dbraw/zinc/41/10/16/296411016.db2.gz KYODCTODYIKHLR-DXCKQFNASA-N 1 3 316.449 2.891 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)cc1OC ZINC000423394639 296412097 /nfs/dbraw/zinc/41/20/97/296412097.db2.gz MVNABYGWUVANDW-KNCOVGOOSA-N 1 3 306.450 2.783 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000423430357 296416090 /nfs/dbraw/zinc/41/60/90/296416090.db2.gz UHMITFNLTFECFS-ROUUACIJSA-N 1 3 321.509 2.761 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC(C)(C)C1 ZINC000359040428 285247911 /nfs/dbraw/zinc/24/79/11/285247911.db2.gz KYICQEAPEGMPJB-DLBZAZTESA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC(C)(C)C1 ZINC000359040428 285247912 /nfs/dbraw/zinc/24/79/12/285247912.db2.gz KYICQEAPEGMPJB-DLBZAZTESA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H](CCCC[NH3+])N[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000423438645 296416670 /nfs/dbraw/zinc/41/66/70/296416670.db2.gz ROJYXDNFLIYZBR-SUMWQHHRSA-N 1 3 304.413 2.756 20 0 DFADHO C[NH+]1CCC2(CCN([C@H](C(=O)OC(C)(C)C)C3CC3)C2)CC1 ZINC000602877954 399612752 /nfs/dbraw/zinc/61/27/52/399612752.db2.gz MMIUQXLPGSKCAB-HNNXBMFYSA-N 1 3 308.466 2.524 20 0 DFADHO COC(=O)c1ccc([C@H](C)N2CCC3(C2)CC[NH+](C)CC3)o1 ZINC000602877070 399612774 /nfs/dbraw/zinc/61/27/74/399612774.db2.gz LKRWGRQQBULBPP-ZDUSSCGKSA-N 1 3 306.406 2.545 20 0 DFADHO Cc1nccn1CCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000347931214 285252964 /nfs/dbraw/zinc/25/29/64/285252964.db2.gz KUTANTXPSWQTRB-RDJZCZTQSA-N 1 3 304.482 2.824 20 0 DFADHO Cc1noc(CCC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)n1 ZINC000347943320 285261377 /nfs/dbraw/zinc/26/13/77/285261377.db2.gz WQLQFPIDOXRAOI-UKRRQHHQSA-N 1 3 306.454 2.553 20 0 DFADHO CCC[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)N(C)C ZINC000120572601 195193010 /nfs/dbraw/zinc/19/30/10/195193010.db2.gz JSNGWCZPFVGEOM-ABHNRTSZSA-N 1 3 323.525 2.876 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000359040434 285279156 /nfs/dbraw/zinc/27/91/56/285279156.db2.gz KYICQEAPEGMPJB-SJORKVTESA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000359040434 285279160 /nfs/dbraw/zinc/27/91/60/285279160.db2.gz KYICQEAPEGMPJB-SJORKVTESA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H](NCc1ccc[nH]c1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000624257718 399617861 /nfs/dbraw/zinc/61/78/61/399617861.db2.gz NWKHUGGNRNOALH-CQSZACIVSA-N 1 3 315.417 2.578 20 0 DFADHO [NH3+]C[C@H](NC(=O)C12CCCN1CCC2)c1ccc2ccccc2c1 ZINC000423592324 296431400 /nfs/dbraw/zinc/43/14/00/296431400.db2.gz DIHSHYIURUTBGN-SFHVURJKSA-N 1 3 323.440 2.584 20 0 DFADHO CCC[C@@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)N(C)C ZINC000423612803 296433802 /nfs/dbraw/zinc/43/38/02/296433802.db2.gz OQXUKCFTGFVGAG-ROUUACIJSA-N 1 3 313.445 2.686 20 0 DFADHO CC(C)[C@H](C(=O)N[C@@H](CN)c1ccc2ccccc2c1)[C@H](C)[NH3+] ZINC000423614614 296434050 /nfs/dbraw/zinc/43/40/50/296434050.db2.gz QOBQOVWKOHHSOH-KKXDTOCCSA-N 1 3 313.445 2.575 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000624270415 399623314 /nfs/dbraw/zinc/62/33/14/399623314.db2.gz QOFXJAMPHBLNSU-NEWSRXKRSA-N 1 3 301.478 2.581 20 0 DFADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000629520129 399634011 /nfs/dbraw/zinc/63/40/11/399634011.db2.gz DDHVGRVWDPHFSW-NSHDSACASA-N 1 3 302.340 2.864 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000617344516 399669372 /nfs/dbraw/zinc/66/93/72/399669372.db2.gz KOFWDKPSGHSBSK-WBVHZDCISA-N 1 3 321.509 2.773 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000617344516 399669375 /nfs/dbraw/zinc/66/93/75/399669375.db2.gz KOFWDKPSGHSBSK-WBVHZDCISA-N 1 3 321.509 2.773 20 0 DFADHO Fc1cc(Cl)ccc1N1CC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000629547479 399643756 /nfs/dbraw/zinc/64/37/56/399643756.db2.gz TUSFMGWAWQIPLU-UONOGXRCSA-N 1 3 311.832 2.790 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629547013 399643924 /nfs/dbraw/zinc/64/39/24/399643924.db2.gz RNXMENKFQLJPSE-NJZAAPMLSA-N 1 3 311.832 2.775 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629547013 399643929 /nfs/dbraw/zinc/64/39/29/399643929.db2.gz RNXMENKFQLJPSE-NJZAAPMLSA-N 1 3 311.832 2.775 20 0 DFADHO CC1(C)CC[C@H](CNC[C@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000629573011 399651924 /nfs/dbraw/zinc/65/19/24/399651924.db2.gz BNLGMSKBUPBDCH-SJORKVTESA-N 1 3 316.489 2.888 20 0 DFADHO CC(C)(CNC[C@@H](O)C[NH+]1CCCC1)Cc1cccc(Cl)c1 ZINC000629568996 399652380 /nfs/dbraw/zinc/65/23/80/399652380.db2.gz YNKPRQFEMVRYTB-QGZVFWFLSA-N 1 3 324.896 2.955 20 0 DFADHO CN1CCC[C@@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000090185491 542535077 /nfs/dbraw/zinc/53/50/77/542535077.db2.gz MKQQWBVSTOPETB-OALUTQOASA-N 1 3 315.505 2.971 20 0 DFADHO COC1(CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000090653291 542538892 /nfs/dbraw/zinc/53/88/92/542538892.db2.gz IEBIUKSVPKTYCC-WMZOPIPTSA-N 1 3 324.509 2.815 20 0 DFADHO COC1(C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000090653291 542538897 /nfs/dbraw/zinc/53/88/97/542538897.db2.gz IEBIUKSVPKTYCC-WMZOPIPTSA-N 1 3 324.509 2.815 20 0 DFADHO CN(CCc1nccs1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093843756 542555092 /nfs/dbraw/zinc/55/50/92/542555092.db2.gz AYSRNJWLZYXRCG-UHFFFAOYSA-N 1 3 319.474 2.758 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000617504791 399719930 /nfs/dbraw/zinc/71/99/30/399719930.db2.gz KMFQIPWMYOBVNS-IXDOHACOSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000617504791 399719935 /nfs/dbraw/zinc/71/99/35/399719935.db2.gz KMFQIPWMYOBVNS-IXDOHACOSA-N 1 3 311.514 2.591 20 0 DFADHO CC(C)CC1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCC1 ZINC000617506558 399720443 /nfs/dbraw/zinc/72/04/43/399720443.db2.gz SFFPMDXITUBMJS-INIZCTEOSA-N 1 3 311.514 2.591 20 0 DFADHO CC(C)CC1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCC1 ZINC000617506558 399720446 /nfs/dbraw/zinc/72/04/46/399720446.db2.gz SFFPMDXITUBMJS-INIZCTEOSA-N 1 3 311.514 2.591 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H](C[NH3+])c2ccccc2)c1 ZINC000423792840 296448713 /nfs/dbraw/zinc/44/87/13/296448713.db2.gz WEUXUNSITOEZAS-SFHVURJKSA-N 1 3 311.429 2.738 20 0 DFADHO CC[N@@H+]1CC[C@@H](NC[C@@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000133446324 285376571 /nfs/dbraw/zinc/37/65/71/285376571.db2.gz IGRSHESXTVRDGE-OLMNPRSZSA-N 1 3 307.457 2.748 20 0 DFADHO CC[N@H+]1CC[C@@H](NC[C@@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000133446324 285376572 /nfs/dbraw/zinc/37/65/72/285376572.db2.gz IGRSHESXTVRDGE-OLMNPRSZSA-N 1 3 307.457 2.748 20 0 DFADHO CCN1CC[C@@H]([NH2+]C[C@@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000133446324 285376573 /nfs/dbraw/zinc/37/65/73/285376573.db2.gz IGRSHESXTVRDGE-OLMNPRSZSA-N 1 3 307.457 2.748 20 0 DFADHO CC[N@H+](CCc1cnn(C)c1)Cc1ccc(CN(C)C)cc1 ZINC000626062235 399741390 /nfs/dbraw/zinc/74/13/90/399741390.db2.gz LTPQUVIBRZQYPO-UHFFFAOYSA-N 1 3 300.450 2.546 20 0 DFADHO CC[N@@H+](CCc1cnn(C)c1)Cc1ccc(CN(C)C)cc1 ZINC000626062235 399741394 /nfs/dbraw/zinc/74/13/94/399741394.db2.gz LTPQUVIBRZQYPO-UHFFFAOYSA-N 1 3 300.450 2.546 20 0 DFADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@H](OC)[C@H]1CCOC1 ZINC000626063936 399742476 /nfs/dbraw/zinc/74/24/76/399742476.db2.gz WAFIXKXYQHIJGN-OALUTQOASA-N 1 3 320.477 2.622 20 0 DFADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@H](OC)[C@H]1CCOC1 ZINC000626063936 399742479 /nfs/dbraw/zinc/74/24/79/399742479.db2.gz WAFIXKXYQHIJGN-OALUTQOASA-N 1 3 320.477 2.622 20 0 DFADHO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1cccc(OCCN(C)C)c1 ZINC000296589201 533408707 /nfs/dbraw/zinc/40/87/07/533408707.db2.gz UWGOHVGTNDQFDR-JKSUJKDBSA-N 1 3 308.466 2.686 20 0 DFADHO COc1cccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1OC(F)F ZINC000316671834 533518125 /nfs/dbraw/zinc/51/81/25/533518125.db2.gz VPDHDKDYILKULS-YPMHNXCESA-N 1 3 314.376 2.869 20 0 DFADHO C[C@H]([NH2+]CCN1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272442926 130031559 /nfs/dbraw/zinc/03/15/59/130031559.db2.gz ITYHTARTBMEXLV-ICSRJNTNSA-N 1 3 315.505 2.973 20 0 DFADHO CC[C@@H](C)CCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000617641055 399765759 /nfs/dbraw/zinc/76/57/59/399765759.db2.gz JIXBUUWZGFDAMV-MRXNPFEDSA-N 1 3 323.525 2.735 20 0 DFADHO Fc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CC2 ZINC000132999033 542644910 /nfs/dbraw/zinc/64/49/10/542644910.db2.gz KMTSRQKNBHXAOL-AUUYWEPGSA-N 1 3 318.436 2.904 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc3c(C)nn(C)c3s2)C1 ZINC000287259536 131271843 /nfs/dbraw/zinc/27/18/43/131271843.db2.gz AIULONCJUKTLAJ-CHWSQXEVSA-N 1 3 306.479 2.936 20 0 DFADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2cc3c(C)nn(C)c3s2)C1 ZINC000287259536 131271845 /nfs/dbraw/zinc/27/18/45/131271845.db2.gz AIULONCJUKTLAJ-CHWSQXEVSA-N 1 3 306.479 2.936 20 0 DFADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2cc3c(C)nn(C)c3s2)C1 ZINC000287259536 131271846 /nfs/dbraw/zinc/27/18/46/131271846.db2.gz AIULONCJUKTLAJ-CHWSQXEVSA-N 1 3 306.479 2.936 20 0 DFADHO C[C@@H]1CCN(CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000163840374 132124892 /nfs/dbraw/zinc/12/48/92/132124892.db2.gz TUPQAZHVKQARCS-OLZOCXBDSA-N 1 3 309.841 2.585 20 0 DFADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCO2 ZINC000166395855 542751652 /nfs/dbraw/zinc/75/16/52/542751652.db2.gz ZTGIMOSBJNEWRT-JKSUJKDBSA-N 1 3 316.445 2.909 20 0 DFADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCO2 ZINC000166395855 542751653 /nfs/dbraw/zinc/75/16/53/542751653.db2.gz ZTGIMOSBJNEWRT-JKSUJKDBSA-N 1 3 316.445 2.909 20 0 DFADHO COc1ccc(OCCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166294857 542751660 /nfs/dbraw/zinc/75/16/60/542751660.db2.gz IJOPBUUXKSAXEA-JKSUJKDBSA-N 1 3 304.434 2.681 20 0 DFADHO COc1ccc(OCCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166294857 542751662 /nfs/dbraw/zinc/75/16/62/542751662.db2.gz IJOPBUUXKSAXEA-JKSUJKDBSA-N 1 3 304.434 2.681 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1F ZINC000166618693 542751726 /nfs/dbraw/zinc/75/17/26/542751726.db2.gz FNXASUJODUITMB-IAGOWNOFSA-N 1 3 305.441 2.604 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1F ZINC000166618693 542751727 /nfs/dbraw/zinc/75/17/27/542751727.db2.gz FNXASUJODUITMB-IAGOWNOFSA-N 1 3 305.441 2.604 20 0 DFADHO CC(C)C[C@@H](N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000167790158 542753611 /nfs/dbraw/zinc/75/36/11/542753611.db2.gz AARFZAOEYHEPHL-CRAIPNDOSA-N 1 3 317.477 2.702 20 0 DFADHO CCCC[C@@H](CC)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000183636876 542801326 /nfs/dbraw/zinc/80/13/26/542801326.db2.gz DINMPQLWHIQKBM-MRXNPFEDSA-N 1 3 311.514 2.593 20 0 DFADHO CC1CCN([C@H](CNC(=O)CC(C)(C)[NH3+])c2cccs2)CC1 ZINC000236726276 542896665 /nfs/dbraw/zinc/89/66/65/542896665.db2.gz ZUNWGPJKROXDEF-CQSZACIVSA-N 1 3 323.506 2.765 20 0 DFADHO COC1CC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000309888651 543067100 /nfs/dbraw/zinc/06/71/00/543067100.db2.gz CTKWEANBLXCBBF-VWPKTGOWSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@H](CCc1ccccc1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388514 399843951 /nfs/dbraw/zinc/84/39/51/399843951.db2.gz HYEHFSULIOJPIM-UYAOXDASSA-N 1 3 315.505 2.720 20 0 DFADHO C[C@H](CCc1ccccc1)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388514 399843954 /nfs/dbraw/zinc/84/39/54/399843954.db2.gz HYEHFSULIOJPIM-UYAOXDASSA-N 1 3 315.505 2.720 20 0 DFADHO c1ccc(CN2CCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339069645 543140728 /nfs/dbraw/zinc/14/07/28/543140728.db2.gz YUTWNLHHIUMKSL-HSALFYBXSA-N 1 3 313.489 2.867 20 0 DFADHO c1ccc(CN2CCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069645 543140731 /nfs/dbraw/zinc/14/07/31/543140731.db2.gz YUTWNLHHIUMKSL-HSALFYBXSA-N 1 3 313.489 2.867 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000339233460 543141464 /nfs/dbraw/zinc/14/14/64/543141464.db2.gz CNRFVRSXMOVXOI-FUHWJXTLSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000339233460 543141466 /nfs/dbraw/zinc/14/14/66/543141466.db2.gz CNRFVRSXMOVXOI-FUHWJXTLSA-N 1 3 317.477 2.670 20 0 DFADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348103439 543183557 /nfs/dbraw/zinc/18/35/57/543183557.db2.gz BUPZXPQDHVYTHO-VQTJNVASSA-N 1 3 314.473 2.922 20 0 DFADHO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000353497487 543235875 /nfs/dbraw/zinc/23/58/75/543235875.db2.gz OTRHKQMCGIYENJ-MSOLQXFVSA-N 1 3 317.477 2.502 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@](C)(CO)Cc1ccccc1 ZINC000357815048 543264283 /nfs/dbraw/zinc/26/42/83/543264283.db2.gz VESMVOSHUFHWQY-RWQQGDIJSA-N 1 3 304.478 2.546 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@](C)(CO)Cc1ccccc1 ZINC000357815048 543264286 /nfs/dbraw/zinc/26/42/86/543264286.db2.gz VESMVOSHUFHWQY-RWQQGDIJSA-N 1 3 304.478 2.546 20 0 DFADHO C[NH+]1CCC(CCN[C@H](c2ccccc2)c2cncnc2)CC1 ZINC000349453487 285866207 /nfs/dbraw/zinc/86/62/07/285866207.db2.gz OJUFEYGRLBBDHD-LJQANCHMSA-N 1 3 310.445 2.888 20 0 DFADHO CS[C@H]1CC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000425352974 296571613 /nfs/dbraw/zinc/57/16/13/296571613.db2.gz MYMOWGFORYLOTI-MSOLQXFVSA-N 1 3 320.502 2.627 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000155667335 145217161 /nfs/dbraw/zinc/21/71/61/145217161.db2.gz XTYVPEIAWKBUQU-UONOGXRCSA-N 1 3 311.420 2.641 20 0 DFADHO C[C@@H](CO[C@@H]1CCOC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000166380204 145234451 /nfs/dbraw/zinc/23/44/51/145234451.db2.gz LFKIERCUDHZWLM-MAUKXSAKSA-N 1 3 310.482 2.567 20 0 DFADHO OC1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CCN(Cc2ccccc2)CC1 ZINC000414307956 543325709 /nfs/dbraw/zinc/32/57/09/543325709.db2.gz PSEPKELCEPQCLV-MOPGFXCFSA-N 1 3 314.473 2.792 20 0 DFADHO C[C@H](CC[NH3+])NCc1ccc(Br)c2cccnc12 ZINC000414900699 543327720 /nfs/dbraw/zinc/32/77/20/543327720.db2.gz WLLFIGWUONJBNV-SNVBAGLBSA-N 1 3 308.223 2.824 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414925498 543327907 /nfs/dbraw/zinc/32/79/07/543327907.db2.gz LWAQDAPDQHQXOD-OSAQELSMSA-N 1 3 309.841 2.917 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414925498 543327909 /nfs/dbraw/zinc/32/79/09/543327909.db2.gz LWAQDAPDQHQXOD-OSAQELSMSA-N 1 3 309.841 2.917 20 0 DFADHO C[C@@H]([NH3+])CCNCc1ccc(Br)c2cccnc12 ZINC000414821469 543327917 /nfs/dbraw/zinc/32/79/17/543327917.db2.gz LHMYGFGPXWAACJ-SNVBAGLBSA-N 1 3 308.223 2.824 20 0 DFADHO C[C@@H](C[NH3+])CNCc1ccc(Br)c2cccnc12 ZINC000414880865 543327963 /nfs/dbraw/zinc/32/79/63/543327963.db2.gz RFZONETTXRMPAA-JTQLQIEISA-N 1 3 308.223 2.682 20 0 DFADHO C[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000172413042 145302780 /nfs/dbraw/zinc/30/27/80/145302780.db2.gz MTQUGIPSIXHTBX-ZACQAIPSSA-N 1 3 321.509 2.725 20 0 DFADHO C[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000172413042 145302784 /nfs/dbraw/zinc/30/27/84/145302784.db2.gz MTQUGIPSIXHTBX-ZACQAIPSSA-N 1 3 321.509 2.725 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000414932952 543328447 /nfs/dbraw/zinc/32/84/47/543328447.db2.gz WGAQSELTOLEVTJ-ARFHVFGLSA-N 1 3 303.450 2.880 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H](N)C2)c(C)c1 ZINC000414932952 543328449 /nfs/dbraw/zinc/32/84/49/543328449.db2.gz WGAQSELTOLEVTJ-ARFHVFGLSA-N 1 3 303.450 2.880 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000414931390 543328452 /nfs/dbraw/zinc/32/84/52/543328452.db2.gz UMQWTCOQCJQNKH-NWDGAFQWSA-N 1 3 306.360 2.714 20 0 DFADHO CC[NH+](CC)C[C@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416163247 543332084 /nfs/dbraw/zinc/33/20/84/543332084.db2.gz XEZIXMDIHOIKQR-RDJZCZTQSA-N 1 3 305.466 2.526 20 0 DFADHO c1ccc2c(c1)nccc2N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000630545823 399901190 /nfs/dbraw/zinc/90/11/90/399901190.db2.gz NMSZXDSRDUNMID-MRXNPFEDSA-N 1 3 311.429 2.830 20 0 DFADHO Cc1scc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c1C ZINC000631090603 399978949 /nfs/dbraw/zinc/97/89/49/399978949.db2.gz HMFAQXDSAAYSFW-DLBZAZTESA-N 1 3 308.491 2.832 20 0 DFADHO COc1cc(F)cc(OC)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000631121054 399984545 /nfs/dbraw/zinc/98/45/45/399984545.db2.gz NPAYLRRIWVPPES-UHFFFAOYSA-N 1 3 322.424 2.807 20 0 DFADHO Cc1ccc([C@H](C)CN2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000628120709 399987503 /nfs/dbraw/zinc/98/75/03/399987503.db2.gz AQCNSLOOIJRAET-LJQANCHMSA-N 1 3 315.505 2.812 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2ccncc2Br)C1 ZINC000631157663 399992253 /nfs/dbraw/zinc/99/22/53/399992253.db2.gz DNHIHJRLDSAUMC-GFCCVEGCSA-N 1 3 312.255 2.666 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2ccncc2Br)C1 ZINC000631157663 399992255 /nfs/dbraw/zinc/99/22/55/399992255.db2.gz DNHIHJRLDSAUMC-GFCCVEGCSA-N 1 3 312.255 2.666 20 0 DFADHO Cc1ccc([C@@H](C)C[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000628201712 400000600 /nfs/dbraw/zinc/00/06/00/400000600.db2.gz QPGLJTBOAPCELO-KRWDZBQOSA-N 1 3 303.494 2.714 20 0 DFADHO COc1ccc(C[N@H+](C)C[C@H]2CCN(C)C2)cc1OC1CC1 ZINC000628243092 400007702 /nfs/dbraw/zinc/00/77/02/400007702.db2.gz CEWBSODHGQCRNQ-HNNXBMFYSA-N 1 3 304.434 2.620 20 0 DFADHO COc1ccc(C[N@@H+](C)C[C@H]2CCN(C)C2)cc1OC1CC1 ZINC000628243092 400007703 /nfs/dbraw/zinc/00/77/03/400007703.db2.gz CEWBSODHGQCRNQ-HNNXBMFYSA-N 1 3 304.434 2.620 20 0 DFADHO Cc1ccc([C@H](C)CN2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000628323083 400020615 /nfs/dbraw/zinc/02/06/15/400020615.db2.gz YWQKWGZKNJFLAX-QGZVFWFLSA-N 1 3 302.462 2.895 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H]2CCCOc3c(OC)cccc32)C1 ZINC000631570725 400052727 /nfs/dbraw/zinc/05/27/27/400052727.db2.gz XSZBEFRDTVRZPI-ZBFHGGJFSA-N 1 3 304.434 2.840 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCOc3c(OC)cccc32)C1 ZINC000631570720 400052895 /nfs/dbraw/zinc/05/28/95/400052895.db2.gz XSZBEFRDTVRZPI-GDBMZVCRSA-N 1 3 304.434 2.840 20 0 DFADHO c1cnc2c(c1)[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCC2 ZINC000631580147 400054061 /nfs/dbraw/zinc/05/40/61/400054061.db2.gz DGBKMCBNHQDUCP-HNAYVOBHSA-N 1 3 315.461 2.550 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000631661629 400063497 /nfs/dbraw/zinc/06/34/97/400063497.db2.gz AMRKBJGQDQGLIO-UMGGQSCQSA-N 1 3 315.505 2.827 20 0 DFADHO COC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000631665385 400063940 /nfs/dbraw/zinc/06/39/40/400063940.db2.gz XCSZGLROFBFRRJ-IPELMVKDSA-N 1 3 302.462 2.769 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2cccc3c2CCOC3)[C@@H]2CCC[C@@H]21 ZINC000631732585 400071006 /nfs/dbraw/zinc/07/10/06/400071006.db2.gz LLLKLUYDZGNJTF-FHWLQOOXSA-N 1 3 300.446 2.722 20 0 DFADHO C[N@H+]1CC[C@H](NCc2cccc3c2CCOC3)[C@@H]2CCC[C@@H]21 ZINC000631732585 400071007 /nfs/dbraw/zinc/07/10/07/400071007.db2.gz LLLKLUYDZGNJTF-FHWLQOOXSA-N 1 3 300.446 2.722 20 0 DFADHO CC(C)[C@H]1CN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCN1C ZINC000631793439 400075717 /nfs/dbraw/zinc/07/57/17/400075717.db2.gz GZZJVDUXHUFEKR-MISYRCLQSA-N 1 3 315.505 2.921 20 0 DFADHO CC(C)[C@H]1CN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000631793439 400075719 /nfs/dbraw/zinc/07/57/19/400075719.db2.gz GZZJVDUXHUFEKR-MISYRCLQSA-N 1 3 315.505 2.921 20 0 DFADHO Cc1cc(C)c(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(C)n1 ZINC000631829545 400078084 /nfs/dbraw/zinc/07/80/84/400078084.db2.gz TZSKAVRKZVGOIJ-BHIYHBOVSA-N 1 3 317.477 2.868 20 0 DFADHO Cc1cc(C)c(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(C)n1 ZINC000631828321 400078110 /nfs/dbraw/zinc/07/81/10/400078110.db2.gz LPULEUUONVSMSC-MOPGFXCFSA-N 1 3 317.477 2.725 20 0 DFADHO Cc1cc(C)c(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(C)n1 ZINC000631829546 400078166 /nfs/dbraw/zinc/07/81/66/400078166.db2.gz TZSKAVRKZVGOIJ-QRQLOZEOSA-N 1 3 317.477 2.868 20 0 DFADHO N[C@@H]1CCCCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000631832484 400078511 /nfs/dbraw/zinc/07/85/11/400078511.db2.gz GZOBVNYIIXLQME-CYBMUJFWSA-N 1 3 309.841 2.872 20 0 DFADHO N[C@@H]1CCCCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000631832484 400078512 /nfs/dbraw/zinc/07/85/12/400078512.db2.gz GZOBVNYIIXLQME-CYBMUJFWSA-N 1 3 309.841 2.872 20 0 DFADHO C[C@@H]1CN(Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C[NH3+] ZINC000631840901 400078883 /nfs/dbraw/zinc/07/88/83/400078883.db2.gz VZOBJEVXDROQAK-CRAIPNDOSA-N 1 3 311.429 2.687 20 0 DFADHO C[C@@H](NCCOCC[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000231786775 146016844 /nfs/dbraw/zinc/01/68/44/146016844.db2.gz PBPBLJWSEPQUJE-GFCCVEGCSA-N 1 3 302.365 2.517 20 0 DFADHO c1ccc(CN2CCC[C@H]([NH2+]C[C@@H]3CCN(C4CC4)C3)C2)cc1 ZINC000236595460 146022282 /nfs/dbraw/zinc/02/22/82/146022282.db2.gz KSPTZZXKXIIEJF-OALUTQOASA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(CN2CCC[C@H](NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000236595460 146022286 /nfs/dbraw/zinc/02/22/86/146022286.db2.gz KSPTZZXKXIIEJF-OALUTQOASA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(CN2CCC[C@H](NC[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000236595460 146022291 /nfs/dbraw/zinc/02/22/91/146022291.db2.gz KSPTZZXKXIIEJF-OALUTQOASA-N 1 3 313.489 2.725 20 0 DFADHO CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000236757601 146025431 /nfs/dbraw/zinc/02/54/31/146025431.db2.gz QIPRJNGYRPPHSZ-ZIAGYGMSSA-N 1 3 309.479 2.519 20 0 DFADHO C[C@@]1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCCCN1 ZINC000237546371 146046685 /nfs/dbraw/zinc/04/66/85/146046685.db2.gz VAPVVTRHINLRIK-IBGZPJMESA-N 1 3 321.509 2.633 20 0 DFADHO C[C@@]1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCCCN1 ZINC000237546371 146046688 /nfs/dbraw/zinc/04/66/88/146046688.db2.gz VAPVVTRHINLRIK-IBGZPJMESA-N 1 3 321.509 2.633 20 0 DFADHO C[C@@]1(C(=O)N2CCCN(CC3CCCCC3)CC2)CCCC[NH2+]1 ZINC000237546371 146046692 /nfs/dbraw/zinc/04/66/92/146046692.db2.gz VAPVVTRHINLRIK-IBGZPJMESA-N 1 3 321.509 2.633 20 0 DFADHO COc1cc(OC)cc([C@@H]2CC[N@H+](CC[C@@H]3CCCN3C)C2)c1 ZINC000245573391 146086103 /nfs/dbraw/zinc/08/61/03/146086103.db2.gz AFKLBBUEGZNNHL-WBVHZDCISA-N 1 3 318.461 2.977 20 0 DFADHO COc1cc(OC)cc([C@@H]2CC[N@@H+](CC[C@@H]3CCCN3C)C2)c1 ZINC000245573391 146086105 /nfs/dbraw/zinc/08/61/05/146086105.db2.gz AFKLBBUEGZNNHL-WBVHZDCISA-N 1 3 318.461 2.977 20 0 DFADHO Cc1nccn1CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000245696804 146094603 /nfs/dbraw/zinc/09/46/03/146094603.db2.gz QYZCLNBTVIDOQK-HKUYNNGSSA-N 1 3 316.493 2.920 20 0 DFADHO Cc1nccn1CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000245696804 146094605 /nfs/dbraw/zinc/09/46/05/146094605.db2.gz QYZCLNBTVIDOQK-HKUYNNGSSA-N 1 3 316.493 2.920 20 0 DFADHO Cc1nccn1CCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245696804 146094607 /nfs/dbraw/zinc/09/46/07/146094607.db2.gz QYZCLNBTVIDOQK-HKUYNNGSSA-N 1 3 316.493 2.920 20 0 DFADHO Cc1nccn1CCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245696804 146094610 /nfs/dbraw/zinc/09/46/10/146094610.db2.gz QYZCLNBTVIDOQK-HKUYNNGSSA-N 1 3 316.493 2.920 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000247008197 146158746 /nfs/dbraw/zinc/15/87/46/146158746.db2.gz KFNFUPAEOBEQKG-NUEKZKHPSA-N 1 3 304.434 2.981 20 0 DFADHO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1[C@H](C)CC[C@H]1C ZINC000249763434 146205820 /nfs/dbraw/zinc/20/58/20/146205820.db2.gz XZZLFZOWMGYSLY-TVFCKZIOSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1[C@H](C)CC[C@H]1C ZINC000249763434 146205821 /nfs/dbraw/zinc/20/58/21/146205821.db2.gz XZZLFZOWMGYSLY-TVFCKZIOSA-N 1 3 323.525 2.876 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261557847 146240963 /nfs/dbraw/zinc/24/09/63/146240963.db2.gz XRWHKRCEIVSMBU-MJGOQNOKSA-N 1 3 301.478 2.758 20 0 DFADHO CC[C@H]1C[C@@H](C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CCO1 ZINC000261702652 146261750 /nfs/dbraw/zinc/26/17/50/146261750.db2.gz JLPQFUOCOMQYIV-NQYYFHDYSA-N 1 3 302.462 2.866 20 0 DFADHO CC[C@H]1C[C@@H](C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CCO1 ZINC000261702652 146261754 /nfs/dbraw/zinc/26/17/54/146261754.db2.gz JLPQFUOCOMQYIV-NQYYFHDYSA-N 1 3 302.462 2.866 20 0 DFADHO [NH3+]CC[C@H]1CCCN(Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000261784073 146276166 /nfs/dbraw/zinc/27/61/66/146276166.db2.gz FRZZOVVSGUJZQV-CQSZACIVSA-N 1 3 302.397 2.572 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000261813570 146281376 /nfs/dbraw/zinc/28/13/76/146281376.db2.gz AEAZWKUWRSAYOG-KFWWJZLASA-N 1 3 321.431 2.771 20 0 DFADHO COc1ccccc1CC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261936980 146306173 /nfs/dbraw/zinc/30/61/73/146306173.db2.gz MELKINFWLSSNKQ-QGZVFWFLSA-N 1 3 302.462 2.949 20 0 DFADHO COc1ccccc1CC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000261936980 146306175 /nfs/dbraw/zinc/30/61/75/146306175.db2.gz MELKINFWLSSNKQ-QGZVFWFLSA-N 1 3 302.462 2.949 20 0 DFADHO c1cn2c(CN3CCC4(C3)CC[NH2+]CC4)c(C3CC3)nc2s1 ZINC000261944132 146306815 /nfs/dbraw/zinc/30/68/15/146306815.db2.gz FBYSRODMYFKKPP-UHFFFAOYSA-N 1 3 316.474 2.849 20 0 DFADHO Fc1ccccc1-c1n[nH]cc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000261962660 146310415 /nfs/dbraw/zinc/31/04/15/146310415.db2.gz HLBCNLUDLANTIF-UHFFFAOYSA-N 1 3 314.408 2.791 20 0 DFADHO CCC[C@](C)(N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000262036565 146326057 /nfs/dbraw/zinc/32/60/57/146326057.db2.gz ZTCQJPYKISODOO-KRWDZBQOSA-N 1 3 309.498 2.809 20 0 DFADHO C[C@@H]([NH3+])C1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000262104078 146334312 /nfs/dbraw/zinc/33/43/12/146334312.db2.gz JHXQKAJVJLGANZ-BEFAXECRSA-N 1 3 318.461 2.804 20 0 DFADHO C[NH2+]CC1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000262148795 146339279 /nfs/dbraw/zinc/33/92/79/146339279.db2.gz QTYFPSICGSZAGU-IBGZPJMESA-N 1 3 318.461 2.676 20 0 DFADHO CCCOc1ccc(OCCN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262560877 146371456 /nfs/dbraw/zinc/37/14/56/146371456.db2.gz VLLFYPTWBQUWIB-BMGDILEWSA-N 1 3 304.434 2.523 20 0 DFADHO C[NH+](C)CC1CCN(CCc2nc(-c3ccccc3)no2)CC1 ZINC000354377766 147013963 /nfs/dbraw/zinc/01/39/63/147013963.db2.gz BRFOIDAUMXHGSE-UHFFFAOYSA-N 1 3 314.433 2.553 20 0 DFADHO Cc1ccc2nccc(NC[C@@]3([NH+](C)C)CCSC3)c2c1 ZINC000354579478 147086197 /nfs/dbraw/zinc/08/61/97/147086197.db2.gz PHOYPVMDSPOHFF-KRWDZBQOSA-N 1 3 301.459 2.814 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2scnc2C2CC2)C1 ZINC000494954326 543416939 /nfs/dbraw/zinc/41/69/39/543416939.db2.gz RFBLIPNEIHHJHC-OAHLLOKOSA-N 1 3 323.506 2.953 20 0 DFADHO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000354814130 147160744 /nfs/dbraw/zinc/16/07/44/147160744.db2.gz FBFIGJPLMNGZRF-ROUUACIJSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000354814130 147160746 /nfs/dbraw/zinc/16/07/46/147160746.db2.gz FBFIGJPLMNGZRF-ROUUACIJSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000354814131 147161016 /nfs/dbraw/zinc/16/10/16/147161016.db2.gz FBFIGJPLMNGZRF-ZWKOTPCHSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000354814131 147161018 /nfs/dbraw/zinc/16/10/18/147161018.db2.gz FBFIGJPLMNGZRF-ZWKOTPCHSA-N 1 3 317.477 2.526 20 0 DFADHO C[N@H+](CC1CCOCC1)CC1CCN(c2ccncc2)CC1 ZINC000354864647 147183624 /nfs/dbraw/zinc/18/36/24/147183624.db2.gz VOYAVSAVSFUUHO-UHFFFAOYSA-N 1 3 303.450 2.656 20 0 DFADHO C[N@@H+](CC1CCOCC1)CC1CCN(c2ccncc2)CC1 ZINC000354864647 147183628 /nfs/dbraw/zinc/18/36/28/147183628.db2.gz VOYAVSAVSFUUHO-UHFFFAOYSA-N 1 3 303.450 2.656 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC1(C)C ZINC000355282774 147250547 /nfs/dbraw/zinc/25/05/47/147250547.db2.gz SBGGVIBBEKEUBW-IAGOWNOFSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC1(C)C ZINC000355282774 147250550 /nfs/dbraw/zinc/25/05/50/147250550.db2.gz SBGGVIBBEKEUBW-IAGOWNOFSA-N 1 3 323.525 2.687 20 0 DFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000356881313 147837602 /nfs/dbraw/zinc/83/76/02/147837602.db2.gz HSRLOKLIBHSRJW-HOTGVXAUSA-N 1 3 314.433 2.900 20 0 DFADHO CCOc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1OC ZINC000350145363 286010612 /nfs/dbraw/zinc/01/06/12/286010612.db2.gz HRYQICXBJNOHSS-UHFFFAOYSA-N 1 3 306.450 2.868 20 0 DFADHO CC[NH+](CC)CC1CCN(Cc2cnc(N(C)C)s2)CC1 ZINC000350145333 286010650 /nfs/dbraw/zinc/01/06/50/286010650.db2.gz HFGCRRSMSXUNRG-UHFFFAOYSA-N 1 3 310.511 2.763 20 0 DFADHO CC(C)C[C@H](CNC(=O)[C@@H](C(C)C)N1CCCCC1)[NH+](C)C ZINC000358047351 148224516 /nfs/dbraw/zinc/22/45/16/148224516.db2.gz QQTKSTQOODLIJP-IAGOWNOFSA-N 1 3 311.514 2.589 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCc1nc(-c2ccccn2)cs1 ZINC000358048712 148226768 /nfs/dbraw/zinc/22/67/68/148226768.db2.gz PYIWJSCQHPEAFU-ZIAGYGMSSA-N 1 3 316.474 2.677 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCc1nc(-c2ccccn2)cs1 ZINC000358048712 148226771 /nfs/dbraw/zinc/22/67/71/148226771.db2.gz PYIWJSCQHPEAFU-ZIAGYGMSSA-N 1 3 316.474 2.677 20 0 DFADHO Fc1ccc(CCNCc2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000425899072 296603899 /nfs/dbraw/zinc/60/38/99/296603899.db2.gz KLYOGDFHWYQQBU-UHFFFAOYSA-N 1 3 303.381 2.613 20 0 DFADHO COc1cccc(OCCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358145611 148259596 /nfs/dbraw/zinc/25/95/96/148259596.db2.gz AGINILBBJFPZSS-CVEARBPZSA-N 1 3 304.434 2.681 20 0 DFADHO COc1cccc(OCCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358145611 148259598 /nfs/dbraw/zinc/25/95/98/148259598.db2.gz AGINILBBJFPZSS-CVEARBPZSA-N 1 3 304.434 2.681 20 0 DFADHO CC(C)c1ccc2c(c1)[C@H](NC[C@]1(O)CC[N@H+](C)C1)CCC2 ZINC000358251567 148303895 /nfs/dbraw/zinc/30/38/95/148303895.db2.gz KRLXCTWLCMVXBS-RTBURBONSA-N 1 3 302.462 2.844 20 0 DFADHO CC(C)c1ccc2c(c1)[C@H](NC[C@]1(O)CC[N@@H+](C)C1)CCC2 ZINC000358251567 148303899 /nfs/dbraw/zinc/30/38/99/148303899.db2.gz KRLXCTWLCMVXBS-RTBURBONSA-N 1 3 302.462 2.844 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+]C[C@H](C)CN(C)C)cc1OC ZINC000425914065 296604363 /nfs/dbraw/zinc/60/43/63/296604363.db2.gz AUCMELHWWIKMMM-ZFWWWQNUSA-N 1 3 308.466 2.731 20 0 DFADHO C[C@@H](CC[S@](C)=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000358407286 148348951 /nfs/dbraw/zinc/34/89/51/148348951.db2.gz TZNOBQUUQCPCCT-XOBRGWDASA-N 1 3 300.512 2.530 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc(Cl)c1 ZINC000361183160 149048530 /nfs/dbraw/zinc/04/85/30/149048530.db2.gz OZHCAHPXFRGHRW-UKRRQHHQSA-N 1 3 323.868 2.578 20 0 DFADHO CC[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)N(CC)CC ZINC000361195002 149051262 /nfs/dbraw/zinc/05/12/62/149051262.db2.gz FJXXLIDAGQYILB-QGZVFWFLSA-N 1 3 309.498 2.630 20 0 DFADHO CN(C)Cc1ccc(-c2noc(C3(C[NH3+])CCCC3)n2)cc1 ZINC000350779113 286086934 /nfs/dbraw/zinc/08/69/34/286086934.db2.gz AFCALQQHDXYMLZ-UHFFFAOYSA-N 1 3 300.406 2.569 20 0 DFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000361838332 149233996 /nfs/dbraw/zinc/23/39/96/149233996.db2.gz SIBDEWJIUHUHBU-VQHPVUNQSA-N 1 3 309.498 2.628 20 0 DFADHO C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000351519217 286141437 /nfs/dbraw/zinc/14/14/37/286141437.db2.gz ODMJTPWRALMFCS-ATZDWAIDSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000351519217 286141439 /nfs/dbraw/zinc/14/14/39/286141439.db2.gz ODMJTPWRALMFCS-ATZDWAIDSA-N 1 3 302.462 2.567 20 0 DFADHO O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](CCCN2CCCC2)C1 ZINC000371334012 150025807 /nfs/dbraw/zinc/02/58/07/150025807.db2.gz CVSFOHUJYCPXOJ-SFHVURJKSA-N 1 3 322.880 2.805 20 0 DFADHO O[C@]1(Cc2cccc(Cl)c2)CC[N@@H+](CCCN2CCCC2)C1 ZINC000371334012 150025810 /nfs/dbraw/zinc/02/58/10/150025810.db2.gz CVSFOHUJYCPXOJ-SFHVURJKSA-N 1 3 322.880 2.805 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2c3ccccc3CC[C@H]2N(C)C)CC[N@@H+]1C ZINC000371484243 150054024 /nfs/dbraw/zinc/05/40/24/150054024.db2.gz BKJPALUGXNECEZ-YCEFEEMOSA-N 1 3 301.478 2.676 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2c3ccccc3CC[C@H]2N(C)C)CC[N@H+]1C ZINC000371484243 150054026 /nfs/dbraw/zinc/05/40/26/150054026.db2.gz BKJPALUGXNECEZ-YCEFEEMOSA-N 1 3 301.478 2.676 20 0 DFADHO CCN(CC)C(=[NH2+])NCC1CCN(Cc2ccccc2F)CC1 ZINC000371878762 150107624 /nfs/dbraw/zinc/10/76/24/150107624.db2.gz VBGBLBRDBXEVQR-UHFFFAOYSA-N 1 3 320.456 2.904 20 0 DFADHO CN(CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C)Cc1ccc(F)cc1 ZINC000372357558 150166251 /nfs/dbraw/zinc/16/62/51/150166251.db2.gz PTJHYSLTDGBHSL-RTBURBONSA-N 1 3 319.468 2.816 20 0 DFADHO CN(CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C)Cc1ccc(F)cc1 ZINC000372357558 150166253 /nfs/dbraw/zinc/16/62/53/150166253.db2.gz PTJHYSLTDGBHSL-RTBURBONSA-N 1 3 319.468 2.816 20 0 DFADHO Cc1ccc([O-])c(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000374282122 150335432 /nfs/dbraw/zinc/33/54/32/150335432.db2.gz FGKDSVXZZOKQDI-OAHLLOKOSA-N 1 3 315.461 2.792 20 0 DFADHO Cc1ccc([O-])c(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000374282122 150335435 /nfs/dbraw/zinc/33/54/35/150335435.db2.gz FGKDSVXZZOKQDI-OAHLLOKOSA-N 1 3 315.461 2.792 20 0 DFADHO Cc1ccc(C)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000374431189 150366513 /nfs/dbraw/zinc/36/65/13/150366513.db2.gz WKVUNZDEUYDTTR-GUDVDZBRSA-N 1 3 302.462 2.987 20 0 DFADHO Cc1sccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000351699657 286197287 /nfs/dbraw/zinc/19/72/87/286197287.db2.gz CJJARDYLIWRLMI-WMLDXEAASA-N 1 3 307.507 2.514 20 0 DFADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000351779660 286216735 /nfs/dbraw/zinc/21/67/35/286216735.db2.gz CFGOZUWLPKICST-ZACQAIPSSA-N 1 3 309.498 2.582 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000351857455 286233321 /nfs/dbraw/zinc/23/33/21/286233321.db2.gz BMALPNVHIOQEDT-AAEUAGOBSA-N 1 3 320.824 2.602 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000352018054 286270947 /nfs/dbraw/zinc/27/09/47/286270947.db2.gz MZZLCIAAZDTZTM-IEBWSBKVSA-N 1 3 300.446 2.940 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000352018054 286270950 /nfs/dbraw/zinc/27/09/50/286270950.db2.gz MZZLCIAAZDTZTM-IEBWSBKVSA-N 1 3 300.446 2.940 20 0 DFADHO CN1CC[C@@H](NCC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccccc1 ZINC000352099173 286291228 /nfs/dbraw/zinc/29/12/28/286291228.db2.gz FFPKZYGSSVJAKK-GUDVDZBRSA-N 1 3 301.478 2.896 20 0 DFADHO CN1CC[C@@H](NCC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccccc1 ZINC000352099173 286291230 /nfs/dbraw/zinc/29/12/30/286291230.db2.gz FFPKZYGSSVJAKK-GUDVDZBRSA-N 1 3 301.478 2.896 20 0 DFADHO CN1CC[C@H](NCC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccccc1 ZINC000352099175 286291322 /nfs/dbraw/zinc/29/13/22/286291322.db2.gz FFPKZYGSSVJAKK-QYZOEREBSA-N 1 3 301.478 2.896 20 0 DFADHO CN1CC[C@H](NCC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000352099175 286291323 /nfs/dbraw/zinc/29/13/23/286291323.db2.gz FFPKZYGSSVJAKK-QYZOEREBSA-N 1 3 301.478 2.896 20 0 DFADHO COCC1CCC([NH2+]Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000296444023 292264932 /nfs/dbraw/zinc/26/49/32/292264932.db2.gz NWYILXMJMNBSOY-UHFFFAOYSA-N 1 3 320.477 2.922 20 0 DFADHO Cc1sccc1C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000352895544 286496606 /nfs/dbraw/zinc/49/66/06/286496606.db2.gz XQYYYWMTKDMTJT-UHFFFAOYSA-N 1 3 321.534 2.906 20 0 DFADHO CC[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)C1(C(=O)OC)CCC1 ZINC000353339174 286617655 /nfs/dbraw/zinc/61/76/55/286617655.db2.gz VRFCUIQNHUBARL-JKSUJKDBSA-N 1 3 310.482 2.820 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H]2CCCOc3ccc(OC)cc32)C1 ZINC000246882349 158103955 /nfs/dbraw/zinc/10/39/55/158103955.db2.gz DZPXPUAGGRHCAQ-PBHICJAKSA-N 1 3 304.434 2.840 20 0 DFADHO Cc1ccc([C@H](C[NH2+][C@H]2CCN(C)[C@@H](C)C2)N2CCCC2)o1 ZINC000247066279 158118360 /nfs/dbraw/zinc/11/83/60/158118360.db2.gz PXRHZTPUEKLCHQ-XIRDDKMYSA-N 1 3 305.466 2.797 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000247062341 158118458 /nfs/dbraw/zinc/11/84/58/158118458.db2.gz PQIPJPJESQSSIA-WDSOQIARSA-N 1 3 303.494 2.918 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000247062341 158118461 /nfs/dbraw/zinc/11/84/61/158118461.db2.gz PQIPJPJESQSSIA-WDSOQIARSA-N 1 3 303.494 2.918 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000247062341 158118464 /nfs/dbraw/zinc/11/84/64/158118464.db2.gz PQIPJPJESQSSIA-WDSOQIARSA-N 1 3 303.494 2.918 20 0 DFADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000247224937 158123506 /nfs/dbraw/zinc/12/35/06/158123506.db2.gz XXEUJFPPZGLXAC-CVEARBPZSA-N 1 3 313.449 2.650 20 0 DFADHO CCc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)N(C)C)cc1 ZINC000247971026 158155402 /nfs/dbraw/zinc/15/54/02/158155402.db2.gz JJVUHZVLMHHSTC-IPELMVKDSA-N 1 3 303.494 2.924 20 0 DFADHO CCc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000247971026 158155404 /nfs/dbraw/zinc/15/54/04/158155404.db2.gz JJVUHZVLMHHSTC-IPELMVKDSA-N 1 3 303.494 2.924 20 0 DFADHO CCc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000247971026 158155405 /nfs/dbraw/zinc/15/54/05/158155405.db2.gz JJVUHZVLMHHSTC-IPELMVKDSA-N 1 3 303.494 2.924 20 0 DFADHO CCN(CC)CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000248041319 158158882 /nfs/dbraw/zinc/15/88/82/158158882.db2.gz SZDBTQHVQTZINZ-MJGOQNOKSA-N 1 3 318.509 2.614 20 0 DFADHO CCN1CC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000248067956 158160276 /nfs/dbraw/zinc/16/02/76/158160276.db2.gz ZZOAIRICSVPTKD-PXNSSMCTSA-N 1 3 315.505 2.971 20 0 DFADHO CC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)COC1 ZINC000248391066 158170656 /nfs/dbraw/zinc/17/06/56/158170656.db2.gz BXRDSAIHPOVZNF-GUDVDZBRSA-N 1 3 314.473 2.913 20 0 DFADHO CCOCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248389176 158171159 /nfs/dbraw/zinc/17/11/59/158171159.db2.gz AOALRBVAGMHLFR-IPMKNSEASA-N 1 3 302.462 2.913 20 0 DFADHO CCOCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248389176 158171160 /nfs/dbraw/zinc/17/11/60/158171160.db2.gz AOALRBVAGMHLFR-IPMKNSEASA-N 1 3 302.462 2.913 20 0 DFADHO CCOCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248389176 158171163 /nfs/dbraw/zinc/17/11/63/158171163.db2.gz AOALRBVAGMHLFR-IPMKNSEASA-N 1 3 302.462 2.913 20 0 DFADHO C[C@@H](c1ccc(F)cc1)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000355071960 158267140 /nfs/dbraw/zinc/26/71/40/158267140.db2.gz RLUUREFUDQDOTB-CVEARBPZSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@@H](c1ccc(F)cc1)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000355071960 158267141 /nfs/dbraw/zinc/26/71/41/158267141.db2.gz RLUUREFUDQDOTB-CVEARBPZSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@@H](c1ccc(F)cc1)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355071960 158267142 /nfs/dbraw/zinc/26/71/42/158267142.db2.gz RLUUREFUDQDOTB-CVEARBPZSA-N 1 3 319.468 2.987 20 0 DFADHO CC(C)[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000356872854 158317155 /nfs/dbraw/zinc/31/71/55/158317155.db2.gz PNAPAPPLOAJKHT-MANSERQUSA-N 1 3 302.462 2.504 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000357038810 158353615 /nfs/dbraw/zinc/35/36/15/158353615.db2.gz AAVWNLMRSULLPQ-OAHLLOKOSA-N 1 3 314.433 2.800 20 0 DFADHO c1nn(Cc2ccccc2)cc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357054480 158356483 /nfs/dbraw/zinc/35/64/83/158356483.db2.gz QCQZKLJDJDYKDE-FQEVSTJZSA-N 1 3 324.472 2.753 20 0 DFADHO Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358507457 158383458 /nfs/dbraw/zinc/38/34/58/158383458.db2.gz KKTIMNWMAPEXNX-MRXNPFEDSA-N 1 3 315.461 2.706 20 0 DFADHO CC1(C[NH2+]CC2CCN(Cc3ccccc3F)CC2)COC1 ZINC000375675505 158848879 /nfs/dbraw/zinc/84/88/79/158848879.db2.gz DTRORMAZSZPYTR-UHFFFAOYSA-N 1 3 306.425 2.664 20 0 DFADHO CC(C)C[C@H](CN(C)C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431852197 296853029 /nfs/dbraw/zinc/85/30/29/296853029.db2.gz VHUQFBILYKHGBM-QZTJIDSGSA-N 1 3 319.493 2.772 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000129016750 196012394 /nfs/dbraw/zinc/01/23/94/196012394.db2.gz UPTUBLZILRVHAD-BASYENTBSA-N 1 3 306.450 2.781 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000129016750 196012395 /nfs/dbraw/zinc/01/23/95/196012395.db2.gz UPTUBLZILRVHAD-BASYENTBSA-N 1 3 306.450 2.781 20 0 DFADHO C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000130729187 196104020 /nfs/dbraw/zinc/10/40/20/196104020.db2.gz YUAYXRVERHOGKT-JKSUJKDBSA-N 1 3 319.493 2.760 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)N(C)C1CC1 ZINC000130849024 196115623 /nfs/dbraw/zinc/11/56/23/196115623.db2.gz JGQPMSNOCXHGNP-KRWDZBQOSA-N 1 3 315.505 2.766 20 0 DFADHO C[C@@H](CSC(C)(C)C)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132957713 196299385 /nfs/dbraw/zinc/29/93/85/196299385.db2.gz JKDNDHAYMFYSPT-GJZGRUSLSA-N 1 3 314.539 2.997 20 0 DFADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000368051549 287283532 /nfs/dbraw/zinc/28/35/32/287283532.db2.gz NPRUBKIBVFYDCJ-FGTMMUONSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000368051549 287283533 /nfs/dbraw/zinc/28/35/33/287283533.db2.gz NPRUBKIBVFYDCJ-FGTMMUONSA-N 1 3 307.526 2.913 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(OC)cc1 ZINC000150970897 196610465 /nfs/dbraw/zinc/61/04/65/196610465.db2.gz DEPBFKNMOAWABL-LJQANCHMSA-N 1 3 319.493 2.762 20 0 DFADHO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000054806365 425891357 /nfs/dbraw/zinc/89/13/57/425891357.db2.gz SJGYDLLOYLDCHX-MRXNPFEDSA-N 1 3 318.465 2.602 20 0 DFADHO CCC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000054806365 425891358 /nfs/dbraw/zinc/89/13/58/425891358.db2.gz SJGYDLLOYLDCHX-MRXNPFEDSA-N 1 3 318.465 2.602 20 0 DFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000433372199 296909347 /nfs/dbraw/zinc/90/93/47/296909347.db2.gz DGIJRDCFPDFGQE-MSOLQXFVSA-N 1 3 317.477 2.622 20 0 DFADHO CN1CCC(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)(N2CCCCC2)CC1 ZINC000667879764 543696889 /nfs/dbraw/zinc/69/68/89/543696889.db2.gz AHVREOQPZSIRBK-SQNIBIBYSA-N 1 3 305.510 2.715 20 0 DFADHO OC1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000667756374 543673041 /nfs/dbraw/zinc/67/30/41/543673041.db2.gz TVWNDCBAPTYDBI-HOJAQTOUSA-N 1 3 314.473 2.922 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792565 543680419 /nfs/dbraw/zinc/68/04/19/543680419.db2.gz CSOVFVJTUHGBPA-AEFFLSMTSA-N 1 3 320.477 2.574 20 0 DFADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792565 543680420 /nfs/dbraw/zinc/68/04/20/543680420.db2.gz CSOVFVJTUHGBPA-AEFFLSMTSA-N 1 3 320.477 2.574 20 0 DFADHO CC[N@H+]1CC[C@@H](CN[C@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792565 543680421 /nfs/dbraw/zinc/68/04/21/543680421.db2.gz CSOVFVJTUHGBPA-AEFFLSMTSA-N 1 3 320.477 2.574 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667961946 543713931 /nfs/dbraw/zinc/71/39/31/543713931.db2.gz BYWKFWWZUNOURA-FCLVOEFKSA-N 1 3 300.446 2.531 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667961948 543713958 /nfs/dbraw/zinc/71/39/58/543713958.db2.gz BYWKFWWZUNOURA-OAOYMFHYSA-N 1 3 300.446 2.531 20 0 DFADHO C[C@H](CN1CCC(C)CC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668617005 543837332 /nfs/dbraw/zinc/83/73/32/543837332.db2.gz TXHIAWUQBDXETC-QGZVFWFLSA-N 1 3 316.493 2.760 20 0 DFADHO C[C@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)C(C)(C)C ZINC000670266956 544031027 /nfs/dbraw/zinc/03/10/27/544031027.db2.gz JNQBPVLRCBNFLY-QGZVFWFLSA-N 1 3 318.509 2.866 20 0 DFADHO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000671748410 544106077 /nfs/dbraw/zinc/10/60/77/544106077.db2.gz GUPFXFHBTVIOPA-RANZSIQMSA-N 1 3 316.445 2.981 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H](CO)c2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000672618896 544143761 /nfs/dbraw/zinc/14/37/61/544143761.db2.gz FLBCXEDYNNXXNV-BGTYHANMSA-N 1 3 322.880 2.878 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H](CO)c2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000672618896 544143762 /nfs/dbraw/zinc/14/37/62/544143762.db2.gz FLBCXEDYNNXXNV-BGTYHANMSA-N 1 3 322.880 2.878 20 0 DFADHO OC[C@H](CNC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000672619279 544143801 /nfs/dbraw/zinc/14/38/01/544143801.db2.gz LHFMWLHVHBKZBB-INIZCTEOSA-N 1 3 322.880 2.880 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H](CO)c2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000672618911 544144067 /nfs/dbraw/zinc/14/40/67/544144067.db2.gz FLBCXEDYNNXXNV-UBDQQSCGSA-N 1 3 322.880 2.878 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H](CO)c2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000672618911 544144069 /nfs/dbraw/zinc/14/40/69/544144069.db2.gz FLBCXEDYNNXXNV-UBDQQSCGSA-N 1 3 322.880 2.878 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc(OCCN(C)C)cc1 ZINC000675766792 544334463 /nfs/dbraw/zinc/33/44/63/544334463.db2.gz OLZFBANPVMRJEI-USXIJHARSA-N 1 3 306.450 2.581 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cccc(OCCN(C)C)c1 ZINC000675766218 544334612 /nfs/dbraw/zinc/33/46/12/544334612.db2.gz FFNIHHJTETZGJJ-XIRDDKMYSA-N 1 3 306.450 2.581 20 0 DFADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000675875124 544341494 /nfs/dbraw/zinc/34/14/94/544341494.db2.gz RGBXPLIWDMCSBQ-NZSAHSFTSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@H](N[C@@H]1CCCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000675884323 544341818 /nfs/dbraw/zinc/34/18/18/544341818.db2.gz SOZYACUASWJGMN-MAUKXSAKSA-N 1 3 315.461 2.502 20 0 DFADHO C[C@@H](N[C@H]1CCCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000675884325 544342029 /nfs/dbraw/zinc/34/20/29/544342029.db2.gz SOZYACUASWJGMN-QAPCUYQASA-N 1 3 315.461 2.502 20 0 DFADHO CC[C@@H](N[C@@H](C)C1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000675804515 544337754 /nfs/dbraw/zinc/33/77/54/544337754.db2.gz BGGZFODUGYIPIB-GOEBONIOSA-N 1 3 319.497 2.776 20 0 DFADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CCN1CCC2(CCCCC2)CC1 ZINC000442868241 297208874 /nfs/dbraw/zinc/20/88/74/297208874.db2.gz NJBLSFFJORPTCV-ZWKOTPCHSA-N 1 3 307.526 2.963 20 0 DFADHO COC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678128447 544605515 /nfs/dbraw/zinc/60/55/15/544605515.db2.gz VVOBHUPPBBBMPP-UHFFFAOYSA-N 1 3 318.461 2.772 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000678333589 544652701 /nfs/dbraw/zinc/65/27/01/544652701.db2.gz DRESFXLZYPSFRD-MJGOQNOKSA-N 1 3 318.461 2.628 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000678333589 544652702 /nfs/dbraw/zinc/65/27/02/544652702.db2.gz DRESFXLZYPSFRD-MJGOQNOKSA-N 1 3 318.461 2.628 20 0 DFADHO C[NH+](C)CCOc1ccc(CN2CCCOC(C)(C)C2)cc1 ZINC000678272014 544640287 /nfs/dbraw/zinc/64/02/87/544640287.db2.gz ZAKPLJPLOYTMMZ-UHFFFAOYSA-N 1 3 306.450 2.628 20 0 DFADHO C[C@@H]1COCCCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678275332 544641501 /nfs/dbraw/zinc/64/15/01/544641501.db2.gz VUJMHGYHDZZDFA-QGZVFWFLSA-N 1 3 318.461 2.772 20 0 DFADHO Cc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c(C)n1 ZINC000678598086 544699721 /nfs/dbraw/zinc/69/97/21/544699721.db2.gz AASSZXOJPIYFRC-ZYSHUDEJSA-N 1 3 317.477 2.727 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000678766117 544716850 /nfs/dbraw/zinc/71/68/50/544716850.db2.gz MBSSGEXYHYQVOR-PXNSSMCTSA-N 1 3 315.505 2.927 20 0 DFADHO CCN1C[C@H](C)[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000679074241 544779834 /nfs/dbraw/zinc/77/98/34/544779834.db2.gz AFMSBZCFQZDTLH-UKBAYJJMSA-N 1 3 307.526 2.959 20 0 DFADHO CO[C@@H]1CCCN(CC[C@@H](C)[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953998 544933460 /nfs/dbraw/zinc/93/34/60/544933460.db2.gz OBHIYUBYBUGDBY-KURKYZTESA-N 1 3 312.498 2.767 20 0 DFADHO CO[C@@H]1CCCN(CC[C@@H](C)[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953998 544933463 /nfs/dbraw/zinc/93/34/63/544933463.db2.gz OBHIYUBYBUGDBY-KURKYZTESA-N 1 3 312.498 2.767 20 0 DFADHO CO[C@@H]1CCC[N@@H+](CC[C@@H](C)N2CCC[C@H](OC)CC2)CC1 ZINC000679953998 544933465 /nfs/dbraw/zinc/93/34/65/544933465.db2.gz OBHIYUBYBUGDBY-KURKYZTESA-N 1 3 312.498 2.767 20 0 DFADHO CO[C@@H]1CCC[N@H+](CC[C@@H](C)N2CCC[C@H](OC)CC2)CC1 ZINC000679953998 544933468 /nfs/dbraw/zinc/93/34/68/544933468.db2.gz OBHIYUBYBUGDBY-KURKYZTESA-N 1 3 312.498 2.767 20 0 DFADHO COc1ccc2c(c1)CC[C@H](N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000680333502 544991761 /nfs/dbraw/zinc/99/17/61/544991761.db2.gz CSUGFWDWAUEKRU-KSZLIROESA-N 1 3 300.446 2.769 20 0 DFADHO COc1ccc2c(c1)CC[C@H](N[C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000680333502 544991764 /nfs/dbraw/zinc/99/17/64/544991764.db2.gz CSUGFWDWAUEKRU-KSZLIROESA-N 1 3 300.446 2.769 20 0 DFADHO COc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCN3CCC[C@H]3C1)C2 ZINC000680333502 544991767 /nfs/dbraw/zinc/99/17/67/544991767.db2.gz CSUGFWDWAUEKRU-KSZLIROESA-N 1 3 300.446 2.769 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N(CC)CC)CC1 ZINC000066960709 425907724 /nfs/dbraw/zinc/90/77/24/425907724.db2.gz VXOSFGYFOJUBRW-MRXNPFEDSA-N 1 3 311.514 2.687 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N(CC)CC)CC1 ZINC000066960709 425907725 /nfs/dbraw/zinc/90/77/25/425907725.db2.gz VXOSFGYFOJUBRW-MRXNPFEDSA-N 1 3 311.514 2.687 20 0 DFADHO CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)N1CCN(CC)CC1 ZINC000155718472 425924779 /nfs/dbraw/zinc/92/47/79/425924779.db2.gz RYXOCTLRWPDWKD-IAGOWNOFSA-N 1 3 319.493 2.762 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000046374554 425864853 /nfs/dbraw/zinc/86/48/53/425864853.db2.gz YEXPGMMCRWTPCQ-HNNXBMFYSA-N 1 3 318.465 2.744 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000046374554 425864854 /nfs/dbraw/zinc/86/48/54/425864854.db2.gz YEXPGMMCRWTPCQ-HNNXBMFYSA-N 1 3 318.465 2.744 20 0 DFADHO Clc1ccc(N2CCN(CCC3CC[NH2+]CC3)CC2)cc1 ZINC000036156141 425845439 /nfs/dbraw/zinc/84/54/39/425845439.db2.gz JVRFLQXSSLHZIH-UHFFFAOYSA-N 1 3 307.869 2.852 20 0 DFADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H]1CCCC1(C)C)c1ccccc1 ZINC000191852471 268016744 /nfs/dbraw/zinc/01/67/44/268016744.db2.gz MQKUJQSHVGOYTC-DLBZAZTESA-N 1 3 317.477 2.574 20 0 DFADHO CC(C)N1CCN(CCC[N@H+](C)CCc2cccs2)CC1 ZINC000192748266 268047254 /nfs/dbraw/zinc/04/72/54/268047254.db2.gz DNHHZLNIDOEUFF-UHFFFAOYSA-N 1 3 309.523 2.639 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+](C)CCc2cccs2)CC1 ZINC000192748266 268047261 /nfs/dbraw/zinc/04/72/61/268047261.db2.gz DNHHZLNIDOEUFF-UHFFFAOYSA-N 1 3 309.523 2.639 20 0 DFADHO COC(=O)[C@H]1CC[C@@H](NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000193874519 268082404 /nfs/dbraw/zinc/08/24/04/268082404.db2.gz GAXCPGAVMSZHPN-CWLKWCNXSA-N 1 3 322.493 2.961 20 0 DFADHO COC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000193874519 268082405 /nfs/dbraw/zinc/08/24/05/268082405.db2.gz GAXCPGAVMSZHPN-CWLKWCNXSA-N 1 3 322.493 2.961 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000237060374 268153378 /nfs/dbraw/zinc/15/33/78/268153378.db2.gz FQIKOSSGGUSLQO-IAGOWNOFSA-N 1 3 303.450 2.984 20 0 DFADHO CN(C)[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000237199492 268155001 /nfs/dbraw/zinc/15/50/01/268155001.db2.gz YWJGZPXPOBQQDP-OKZBNKHCSA-N 1 3 317.477 2.703 20 0 DFADHO Cc1nccn1CC[N@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC000270698801 268202534 /nfs/dbraw/zinc/20/25/34/268202534.db2.gz ZQJZDITZXNRYON-QGZVFWFLSA-N 1 3 312.461 2.788 20 0 DFADHO Cc1nccn1CC[N@@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC000270698801 268202537 /nfs/dbraw/zinc/20/25/37/268202537.db2.gz ZQJZDITZXNRYON-QGZVFWFLSA-N 1 3 312.461 2.788 20 0 DFADHO Cc1ccccc1C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000270852909 268226111 /nfs/dbraw/zinc/22/61/11/268226111.db2.gz HBJIGAOPMPPMBZ-UHFFFAOYSA-N 1 3 315.505 2.985 20 0 DFADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000271449288 268249581 /nfs/dbraw/zinc/24/95/81/268249581.db2.gz DHALJMZNHCPHHV-IGNZVWTISA-N 1 3 324.415 2.993 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CCCNc3ccccc32)CC1(C)C ZINC000282146117 268272076 /nfs/dbraw/zinc/27/20/76/268272076.db2.gz CKEVBDBXYQGXBW-SFHVURJKSA-N 1 3 316.493 2.549 20 0 DFADHO CCC[NH+]1CCC(N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000309834705 268335814 /nfs/dbraw/zinc/33/58/14/268335814.db2.gz UDHWQCYTFAPAMZ-ZIAGYGMSSA-N 1 3 313.486 2.752 20 0 DFADHO CCOC(=O)N1CCC(N[C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000316478618 268344502 /nfs/dbraw/zinc/34/45/02/268344502.db2.gz ZARPMXUVIYIQJQ-GDBMZVCRSA-N 1 3 311.470 2.508 20 0 DFADHO CC[C@@H](C(=O)NC[C@H](c1ccsc1)N(CC)CC)[NH+](C)C ZINC000124790681 425939204 /nfs/dbraw/zinc/93/92/04/425939204.db2.gz MNWOXFUCLJDKOC-LSDHHAIUSA-N 1 3 311.495 2.587 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000107351389 425989761 /nfs/dbraw/zinc/98/97/61/425989761.db2.gz AFDXCIYEPAPGAW-QGZVFWFLSA-N 1 3 309.498 2.585 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000125952032 425997599 /nfs/dbraw/zinc/99/75/99/425997599.db2.gz SYYMTHKVXFCEKQ-SFHVURJKSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000125952032 425997602 /nfs/dbraw/zinc/99/76/02/425997602.db2.gz SYYMTHKVXFCEKQ-SFHVURJKSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@H](CCn1cccn1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000158772780 425946980 /nfs/dbraw/zinc/94/69/80/425946980.db2.gz AKZBMCARSUSTHQ-MRXNPFEDSA-N 1 3 304.482 2.906 20 0 DFADHO CC(C)[C@H](CO)N(CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000125034310 425951108 /nfs/dbraw/zinc/95/11/08/425951108.db2.gz RVHFJGRQJGGJHM-OALUTQOASA-N 1 3 304.478 2.990 20 0 DFADHO CC(C)[C@H](CO)N(CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000125034310 425951110 /nfs/dbraw/zinc/95/11/10/425951110.db2.gz RVHFJGRQJGGJHM-OALUTQOASA-N 1 3 304.478 2.990 20 0 DFADHO CN(CCN1CC[NH+](CC2CCCC2)CC1)Cc1ccccc1 ZINC000108865583 426023658 /nfs/dbraw/zinc/02/36/58/426023658.db2.gz YEZCVBURISOBMA-UHFFFAOYSA-N 1 3 315.505 2.926 20 0 DFADHO Cn1ccnc1C[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000162131642 426053231 /nfs/dbraw/zinc/05/32/31/426053231.db2.gz ATJWCASFQYCELR-QGZVFWFLSA-N 1 3 304.482 2.551 20 0 DFADHO Cn1ccnc1C[C@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000162131642 426053234 /nfs/dbraw/zinc/05/32/34/426053234.db2.gz ATJWCASFQYCELR-QGZVFWFLSA-N 1 3 304.482 2.551 20 0 DFADHO Cn1ccnc1C[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000162131642 426053236 /nfs/dbraw/zinc/05/32/36/426053236.db2.gz ATJWCASFQYCELR-QGZVFWFLSA-N 1 3 304.482 2.551 20 0 DFADHO COc1ccc([C@@H](CCO)[NH2+]CCCN2CCCCC2)cc1 ZINC000162260366 426058256 /nfs/dbraw/zinc/05/82/56/426058256.db2.gz DRGDCDYWXSXVAQ-GOSISDBHSA-N 1 3 306.450 2.584 20 0 DFADHO CC[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@@H]1CCOC1 ZINC000162581062 426069345 /nfs/dbraw/zinc/06/93/45/426069345.db2.gz RDUROMDMZXOFEO-AEFFLSMTSA-N 1 3 306.450 2.532 20 0 DFADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2cnn(C)c2)CC1 ZINC000127931848 426093306 /nfs/dbraw/zinc/09/33/06/426093306.db2.gz RIXXJNZZBGCDJK-YJBOKZPZSA-N 1 3 304.482 2.595 20 0 DFADHO N[C@@H](CC(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000163278490 426095120 /nfs/dbraw/zinc/09/51/20/426095120.db2.gz MGNPDFMKKBBJFG-KRWDZBQOSA-N 1 3 303.450 2.505 20 0 DFADHO CC[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C)cc1 ZINC000127970849 426095160 /nfs/dbraw/zinc/09/51/60/426095160.db2.gz VIYSMWFFIOBIBP-ROUUACIJSA-N 1 3 317.477 2.623 20 0 DFADHO CC[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C)cc1 ZINC000127970849 426095163 /nfs/dbraw/zinc/09/51/63/426095163.db2.gz VIYSMWFFIOBIBP-ROUUACIJSA-N 1 3 317.477 2.623 20 0 DFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(Cl)c1 ZINC000128082437 426100975 /nfs/dbraw/zinc/10/09/75/426100975.db2.gz OZHCAHPXFRGHRW-ZFWWWQNUSA-N 1 3 323.868 2.578 20 0 DFADHO Cc1ccc([C@@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(C)c1 ZINC000128129884 426104089 /nfs/dbraw/zinc/10/40/89/426104089.db2.gz QJBZLNYGZYMPEQ-SJORKVTESA-N 1 3 317.477 2.541 20 0 DFADHO Cc1ccc([C@@H](C)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C)c1 ZINC000128129884 426104092 /nfs/dbraw/zinc/10/40/92/426104092.db2.gz QJBZLNYGZYMPEQ-SJORKVTESA-N 1 3 317.477 2.541 20 0 DFADHO CC[C@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000163933769 426110139 /nfs/dbraw/zinc/11/01/39/426110139.db2.gz DLBIXDOUMKNGKQ-SFHVURJKSA-N 1 3 303.494 2.973 20 0 DFADHO CC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000164846752 426118496 /nfs/dbraw/zinc/11/84/96/426118496.db2.gz RFMXQEBOQLZMEN-DAYGRLMNSA-N 1 3 317.477 2.518 20 0 DFADHO CC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000164846752 426118497 /nfs/dbraw/zinc/11/84/97/426118497.db2.gz RFMXQEBOQLZMEN-DAYGRLMNSA-N 1 3 317.477 2.518 20 0 DFADHO C[C@H](C(=O)NCCC[NH+]1CCCCCC1)N1[C@H](C)CC[C@H]1C ZINC000338029768 268604717 /nfs/dbraw/zinc/60/47/17/268604717.db2.gz OYLFRQURXYACRH-BRWVUGGUSA-N 1 3 309.498 2.630 20 0 DFADHO COC[C@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C(C)C ZINC000165877816 426124167 /nfs/dbraw/zinc/12/41/67/426124167.db2.gz XCAGOESIPSABGJ-YJBOKZPZSA-N 1 3 308.466 2.949 20 0 DFADHO C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(OCCN(C)C)cc1 ZINC000167019822 426131157 /nfs/dbraw/zinc/13/11/57/426131157.db2.gz DHAALFZRNBRDDG-MAUKXSAKSA-N 1 3 306.450 2.847 20 0 DFADHO Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H](CN(C)C)C3)cc2)n1 ZINC000114479579 426136799 /nfs/dbraw/zinc/13/67/99/426136799.db2.gz GTHLOKPVCVHSIJ-GOSISDBHSA-N 1 3 312.461 2.873 20 0 DFADHO Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H](CN(C)C)C3)cc2)n1 ZINC000114479579 426136802 /nfs/dbraw/zinc/13/68/02/426136802.db2.gz GTHLOKPVCVHSIJ-GOSISDBHSA-N 1 3 312.461 2.873 20 0 DFADHO FC(F)(F)COCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000075835786 426085716 /nfs/dbraw/zinc/08/57/16/426085716.db2.gz TXRRVNVLSQOJMU-AWEZNQCLSA-N 1 3 308.388 2.763 20 0 DFADHO FC(F)(F)COCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000075835786 426085719 /nfs/dbraw/zinc/08/57/19/426085719.db2.gz TXRRVNVLSQOJMU-AWEZNQCLSA-N 1 3 308.388 2.763 20 0 DFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000170718343 426147209 /nfs/dbraw/zinc/14/72/09/426147209.db2.gz JOZOCPFUKXUPLU-CQSZACIVSA-N 1 3 306.454 2.600 20 0 DFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000170718343 426147212 /nfs/dbraw/zinc/14/72/12/426147212.db2.gz JOZOCPFUKXUPLU-CQSZACIVSA-N 1 3 306.454 2.600 20 0 DFADHO CCC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(C)C ZINC000135640462 426224589 /nfs/dbraw/zinc/22/45/89/426224589.db2.gz HPSJMLSOYRYQAE-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO Cc1ccc([C@@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000118965416 426251963 /nfs/dbraw/zinc/25/19/63/426251963.db2.gz YRAGCCDGMCXHQU-RNIPGJKVSA-N 1 3 303.494 2.916 20 0 DFADHO Cc1ccc([C@@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000118965416 426251965 /nfs/dbraw/zinc/25/19/65/426251965.db2.gz YRAGCCDGMCXHQU-RNIPGJKVSA-N 1 3 303.494 2.916 20 0 DFADHO Cc1ccc([C@@H](C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)N(C)C)cc1 ZINC000118965416 426251966 /nfs/dbraw/zinc/25/19/66/426251966.db2.gz YRAGCCDGMCXHQU-RNIPGJKVSA-N 1 3 303.494 2.916 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CCN1C ZINC000174514308 426259206 /nfs/dbraw/zinc/25/92/06/426259206.db2.gz MBBLXPVEYUQWOP-APWZRJJASA-N 1 3 301.478 2.723 20 0 DFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc(F)cc(F)c1 ZINC000150978707 426269806 /nfs/dbraw/zinc/26/98/06/426269806.db2.gz JZCUAZKRGRGCEV-ZDUSSCGKSA-N 1 3 311.420 2.641 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)cc1 ZINC000150992019 426271328 /nfs/dbraw/zinc/27/13/28/426271328.db2.gz XIISEIIANXWUDH-GOSISDBHSA-N 1 3 307.457 2.892 20 0 DFADHO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000135331420 426214662 /nfs/dbraw/zinc/21/46/62/426214662.db2.gz UDFFDYXWFBKARI-MAUKXSAKSA-N 1 3 321.509 2.630 20 0 DFADHO CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000135331420 426214665 /nfs/dbraw/zinc/21/46/65/426214665.db2.gz UDFFDYXWFBKARI-MAUKXSAKSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)N1CCCCC1 ZINC000080718312 426215572 /nfs/dbraw/zinc/21/55/72/426215572.db2.gz GPRXUWOPRZFBKA-FBVQUNGASA-N 1 3 321.509 2.628 20 0 DFADHO CC(C)[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)N1CCCCC1 ZINC000080718312 426215576 /nfs/dbraw/zinc/21/55/76/426215576.db2.gz GPRXUWOPRZFBKA-FBVQUNGASA-N 1 3 321.509 2.628 20 0 DFADHO CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCN(CC)CC2)o1 ZINC000121401255 426339433 /nfs/dbraw/zinc/33/94/33/426339433.db2.gz HLQAPAYXDCUCNW-HZPDHXFCSA-N 1 3 307.482 2.766 20 0 DFADHO CCc1noc(C)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000119540422 426295769 /nfs/dbraw/zinc/29/57/69/426295769.db2.gz DEEYFFHKINKQBZ-UHFFFAOYSA-N 1 3 321.465 2.622 20 0 DFADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)N(C)C ZINC000151474879 426297403 /nfs/dbraw/zinc/29/74/03/426297403.db2.gz UFNXXUIIVLTWDU-SJLPKXTDSA-N 1 3 319.493 2.599 20 0 DFADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000151474879 426297406 /nfs/dbraw/zinc/29/74/06/426297406.db2.gz UFNXXUIIVLTWDU-SJLPKXTDSA-N 1 3 319.493 2.599 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2nc3c(cccc3F)n2C)[C@H](C)C1 ZINC000089673882 426301563 /nfs/dbraw/zinc/30/15/63/426301563.db2.gz YKMWETCHGFRWJE-HIFRSBDPSA-N 1 3 318.440 2.575 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2nc3c(cccc3F)n2C)[C@H](C)C1 ZINC000089673882 426301565 /nfs/dbraw/zinc/30/15/65/426301565.db2.gz YKMWETCHGFRWJE-HIFRSBDPSA-N 1 3 318.440 2.575 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(CCN3CCCc4ccccc43)CC[C@@H]21 ZINC000090552608 426327117 /nfs/dbraw/zinc/32/71/17/426327117.db2.gz RTFPNCSXUYPFJV-MOPGFXCFSA-N 1 3 313.489 2.855 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(CCN3CCCc4ccccc43)CC[C@@H]21 ZINC000090552608 426327120 /nfs/dbraw/zinc/32/71/20/426327120.db2.gz RTFPNCSXUYPFJV-MOPGFXCFSA-N 1 3 313.489 2.855 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](CCN3CCCc4ccccc43)CC[C@@H]21 ZINC000090552608 426327121 /nfs/dbraw/zinc/32/71/21/426327121.db2.gz RTFPNCSXUYPFJV-MOPGFXCFSA-N 1 3 313.489 2.855 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](CCN3CCCc4ccccc43)CC[C@@H]21 ZINC000090552608 426327123 /nfs/dbraw/zinc/32/71/23/426327123.db2.gz RTFPNCSXUYPFJV-MOPGFXCFSA-N 1 3 313.489 2.855 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000152104654 426327086 /nfs/dbraw/zinc/32/70/86/426327086.db2.gz TUFONLWTNSNCRV-GPMSIDNRSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(Cn2ccnc2)cc1 ZINC000152104654 426327089 /nfs/dbraw/zinc/32/70/89/426327089.db2.gz TUFONLWTNSNCRV-GPMSIDNRSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(Cn2ccnc2)cc1 ZINC000152104654 426327090 /nfs/dbraw/zinc/32/70/90/426327090.db2.gz TUFONLWTNSNCRV-GPMSIDNRSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000090659848 426329250 /nfs/dbraw/zinc/32/92/50/426329250.db2.gz QEIIEVODAHKLJJ-IJEWVQPXSA-N 1 3 314.433 2.597 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000090659848 426329252 /nfs/dbraw/zinc/32/92/52/426329252.db2.gz QEIIEVODAHKLJJ-IJEWVQPXSA-N 1 3 314.433 2.597 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000090659837 426329817 /nfs/dbraw/zinc/32/98/17/426329817.db2.gz QEIIEVODAHKLJJ-FMKPAKJESA-N 1 3 314.433 2.597 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000090659837 426329820 /nfs/dbraw/zinc/32/98/20/426329820.db2.gz QEIIEVODAHKLJJ-FMKPAKJESA-N 1 3 314.433 2.597 20 0 DFADHO Cc1c(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cnn1C ZINC000090887925 426333107 /nfs/dbraw/zinc/33/31/07/426333107.db2.gz UIQDDAGOAOFHIP-CQSZACIVSA-N 1 3 316.449 2.520 20 0 DFADHO CCc1nn(C)c(CC)c1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000152695888 426349740 /nfs/dbraw/zinc/34/97/40/426349740.db2.gz SFFQZRRAGNLWBZ-UHFFFAOYSA-N 1 3 318.509 2.853 20 0 DFADHO C[C@@H](C(=O)NC(C)(C)C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121762162 426353722 /nfs/dbraw/zinc/35/37/22/426353722.db2.gz IRRMHYYPUDGSAN-INIZCTEOSA-N 1 3 323.525 2.878 20 0 DFADHO CN1CCCN(CCC[NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000123184254 426418663 /nfs/dbraw/zinc/41/86/63/426418663.db2.gz SYBZSKYUMSLOQQ-UHFFFAOYSA-N 1 3 319.468 2.689 20 0 DFADHO CC(C)N(C(=O)CN1CCC(CCC[NH+](C)C)CC1)C(C)C ZINC000123318753 426426674 /nfs/dbraw/zinc/42/66/74/426426674.db2.gz ZOEBLKZKOAPJSU-UHFFFAOYSA-N 1 3 311.514 2.686 20 0 DFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC000123382632 426429757 /nfs/dbraw/zinc/42/97/57/426429757.db2.gz MJITWOMCILUSJB-UHFFFAOYSA-N 1 3 317.477 2.648 20 0 DFADHO C[NH+](C)CCCC1CCN(C[C@H](O)c2ccc(F)cc2)CC1 ZINC000123392087 426430813 /nfs/dbraw/zinc/43/08/13/426430813.db2.gz MCJRUHLSRHGYKP-SFHVURJKSA-N 1 3 308.441 2.913 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(OC)cc2F)CC1 ZINC000154230299 426431411 /nfs/dbraw/zinc/43/14/11/426431411.db2.gz KFWLETMBMYMGIN-OAHLLOKOSA-N 1 3 323.456 2.513 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000154248942 426432456 /nfs/dbraw/zinc/43/24/56/426432456.db2.gz RSOPCZSJQILQME-KRWDZBQOSA-N 1 3 319.518 2.841 20 0 DFADHO C[C@@H]1C[C@@H](NCc2cc(N(C)C)nc3ccccc23)CC[N@@H+]1C ZINC000154446111 426440610 /nfs/dbraw/zinc/44/06/10/426440610.db2.gz ODDMOTGIXNMWFN-ZBFHGGJFSA-N 1 3 312.461 2.873 20 0 DFADHO C[C@@H]1C[C@@H](NCc2cc(N(C)C)nc3ccccc23)CC[N@H+]1C ZINC000154446111 426440612 /nfs/dbraw/zinc/44/06/12/426440612.db2.gz ODDMOTGIXNMWFN-ZBFHGGJFSA-N 1 3 312.461 2.873 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3ccc(C)cc32)CC1 ZINC000154518603 426443814 /nfs/dbraw/zinc/44/38/14/426443814.db2.gz GHJPUMSQLXZPGR-HXUWFJFHSA-N 1 3 315.505 2.990 20 0 DFADHO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000341332203 269071017 /nfs/dbraw/zinc/07/10/17/269071017.db2.gz SOUXREDPZMDGRQ-WAARBJQMSA-N 1 3 302.462 2.646 20 0 DFADHO C[NH+]1CCC(NCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000177237726 426457939 /nfs/dbraw/zinc/45/79/39/426457939.db2.gz XVFHZFHLBOTCLC-UHFFFAOYSA-N 1 3 302.340 2.768 20 0 DFADHO C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000101629103 426485658 /nfs/dbraw/zinc/48/56/58/426485658.db2.gz YUEDSUYLLCLMNJ-XHSDSOJGSA-N 1 3 317.477 2.626 20 0 DFADHO C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000101629108 426485735 /nfs/dbraw/zinc/48/57/35/426485735.db2.gz YUEDSUYLLCLMNJ-OAGGEKHMSA-N 1 3 317.477 2.626 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@@H]2CCCN(C(C)C)C2=O)CC1 ZINC000177721755 426510551 /nfs/dbraw/zinc/51/05/51/426510551.db2.gz ORZSMPVHWMJXRV-GOSISDBHSA-N 1 3 323.525 2.830 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@@H]2CCCN(C(C)C)C2=O)CC1 ZINC000177721755 426510554 /nfs/dbraw/zinc/51/05/54/426510554.db2.gz ORZSMPVHWMJXRV-GOSISDBHSA-N 1 3 323.525 2.830 20 0 DFADHO C[C@H]([NH2+]CCCn1ccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272377007 426511825 /nfs/dbraw/zinc/51/18/25/426511825.db2.gz BLYZKIICOGYAQU-HKUYNNGSSA-N 1 3 312.461 2.773 20 0 DFADHO C[C@H]([NH2+]CCN1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272457481 426529641 /nfs/dbraw/zinc/52/96/41/426529641.db2.gz KARUTJLZOPQVBJ-HKUYNNGSSA-N 1 3 301.478 2.582 20 0 DFADHO C[C@@H]([NH2+]CCN1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272457486 426530156 /nfs/dbraw/zinc/53/01/56/426530156.db2.gz KARUTJLZOPQVBJ-MJGOQNOKSA-N 1 3 301.478 2.582 20 0 DFADHO CCC[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000272513571 426544421 /nfs/dbraw/zinc/54/44/21/426544421.db2.gz XYKNTPKYRKEUGY-QGZVFWFLSA-N 1 3 303.450 2.781 20 0 DFADHO CC(C)[C@H](CN1CCC([N@H+](C)CCO)CC1)c1ccccc1 ZINC000280303877 426546038 /nfs/dbraw/zinc/54/60/38/426546038.db2.gz PTCXTCYGXMUXLI-IBGZPJMESA-N 1 3 304.478 2.815 20 0 DFADHO CC(C)[C@H](CN1CCC([N@@H+](C)CCO)CC1)c1ccccc1 ZINC000280303877 426546041 /nfs/dbraw/zinc/54/60/41/426546041.db2.gz PTCXTCYGXMUXLI-IBGZPJMESA-N 1 3 304.478 2.815 20 0 DFADHO CCO[C@H]1C[C@@H]([NH2+]CCCN2CCC(C)CC2)C12CCOCC2 ZINC000186214513 426494017 /nfs/dbraw/zinc/49/40/17/426494017.db2.gz ZLGWKTCMXSJZTN-MSOLQXFVSA-N 1 3 324.509 2.672 20 0 DFADHO CCO[C@H]1C[C@@H](NCCC[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000186214513 426494021 /nfs/dbraw/zinc/49/40/21/426494021.db2.gz ZLGWKTCMXSJZTN-MSOLQXFVSA-N 1 3 324.509 2.672 20 0 DFADHO Fc1cc(CNC2CC[NH+](C3CC3)CC2)ccc1-n1ccnc1 ZINC000264529522 426567831 /nfs/dbraw/zinc/56/78/31/426567831.db2.gz HGDKAGVHFLMNAR-UHFFFAOYSA-N 1 3 314.408 2.728 20 0 DFADHO CC(C)c1nc([C@H](C)N[C@H](C)CC[NH+]2CCN(C)CC2)cs1 ZINC000186583145 426556301 /nfs/dbraw/zinc/55/63/01/426556301.db2.gz LUCDOTSUPAFRKY-CABCVRRESA-N 1 3 324.538 2.943 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1 ZINC000272560685 426558192 /nfs/dbraw/zinc/55/81/92/426558192.db2.gz NRAGFUQEPSASNH-HZPDHXFCSA-N 1 3 317.477 2.741 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1 ZINC000272560685 426558195 /nfs/dbraw/zinc/55/81/95/426558195.db2.gz NRAGFUQEPSASNH-HZPDHXFCSA-N 1 3 317.477 2.741 20 0 DFADHO CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000272574356 426563011 /nfs/dbraw/zinc/56/30/11/426563011.db2.gz PNAPAPPLOAJKHT-WJFTUGDTSA-N 1 3 302.462 2.504 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)Cc1cccc2cccnc21 ZINC000289370341 426637679 /nfs/dbraw/zinc/63/76/79/426637679.db2.gz IERMPNUIWASACB-UHFFFAOYSA-N 1 3 314.477 2.550 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)Cc1cccc2cccnc21 ZINC000289370341 426637682 /nfs/dbraw/zinc/63/76/82/426637682.db2.gz IERMPNUIWASACB-UHFFFAOYSA-N 1 3 314.477 2.550 20 0 DFADHO CN(CCC(=O)Nc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000231669683 426651944 /nfs/dbraw/zinc/65/19/44/426651944.db2.gz SKVDCKFUWHAQJI-HNNXBMFYSA-N 1 3 309.841 2.743 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000280784968 426655049 /nfs/dbraw/zinc/65/50/49/426655049.db2.gz FZSBITXEQFNGGH-UONOGXRCSA-N 1 3 310.869 2.878 20 0 DFADHO CCCN(CC1CC[NH2+]CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000236972158 426687050 /nfs/dbraw/zinc/68/70/50/426687050.db2.gz YTNNSRQBRUIESK-HNNXBMFYSA-N 1 3 303.450 2.725 20 0 DFADHO CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCCN3)cc2)CC1 ZINC000236637288 426668762 /nfs/dbraw/zinc/66/87/62/426668762.db2.gz WBBLBAHYLLNWPD-GOSISDBHSA-N 1 3 315.461 2.999 20 0 DFADHO C[C@H](CNC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000236710121 426679018 /nfs/dbraw/zinc/67/90/18/426679018.db2.gz MTCPDAVQBAPUGD-CRAIPNDOSA-N 1 3 308.441 2.612 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000236763697 426684690 /nfs/dbraw/zinc/68/46/90/426684690.db2.gz NGKLPILYDIXDPO-SFHVURJKSA-N 1 3 317.477 2.518 20 0 DFADHO CCCN(C(=O)CCC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000236755683 426685512 /nfs/dbraw/zinc/68/55/12/426685512.db2.gz JQOHURIYJSZMCQ-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO C[NH+](C)CCc1ccc(NC(=O)[C@@H](C2CC2)N2CCCC2)cc1 ZINC000273563998 426685671 /nfs/dbraw/zinc/68/56/71/426685671.db2.gz DUHXLIFRUWHELM-GOSISDBHSA-N 1 3 315.461 2.604 20 0 DFADHO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCN1CCCC1 ZINC000178411667 426623458 /nfs/dbraw/zinc/62/34/58/426623458.db2.gz HGBIYEWCYHBBFO-ZDUSSCGKSA-N 1 3 324.856 2.528 20 0 DFADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NCCC[NH+]1CCCC1 ZINC000178411667 426623460 /nfs/dbraw/zinc/62/34/60/426623460.db2.gz HGBIYEWCYHBBFO-ZDUSSCGKSA-N 1 3 324.856 2.528 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(OCCN(C)C)cc1 ZINC000178424447 426627166 /nfs/dbraw/zinc/62/71/66/426627166.db2.gz RNKGRCJZWNNTNJ-CVEARBPZSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@H]1C[C@H](NCCN2CCc3c(Cl)cccc3C2)CC[N@@H+]1C ZINC000187998146 426714218 /nfs/dbraw/zinc/71/42/18/426714218.db2.gz ZQFOZLNKWLNPTI-GOEBONIOSA-N 1 3 321.896 2.770 20 0 DFADHO C[C@H]1C[C@H](NCCN2CCc3c(Cl)cccc3C2)CC[N@H+]1C ZINC000187998146 426714222 /nfs/dbraw/zinc/71/42/22/426714222.db2.gz ZQFOZLNKWLNPTI-GOEBONIOSA-N 1 3 321.896 2.770 20 0 DFADHO NC[C@H](C(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000178791982 426695725 /nfs/dbraw/zinc/69/57/25/426695725.db2.gz GUCVOQCCURVMKV-SFHVURJKSA-N 1 3 317.477 2.501 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000290134154 426701469 /nfs/dbraw/zinc/70/14/69/426701469.db2.gz MAMFKOSCDSVLNW-WBVHZDCISA-N 1 3 303.450 2.629 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000290444154 426767340 /nfs/dbraw/zinc/76/73/40/426767340.db2.gz VRAKIBNEROBLGI-BHIYHBOVSA-N 1 3 301.478 2.723 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000290444154 426767342 /nfs/dbraw/zinc/76/73/42/426767342.db2.gz VRAKIBNEROBLGI-BHIYHBOVSA-N 1 3 301.478 2.723 20 0 DFADHO CC(C)[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245735930 426767628 /nfs/dbraw/zinc/76/76/28/426767628.db2.gz QUJGJYCYXJYEOA-RDGPPVDQSA-N 1 3 302.462 2.789 20 0 DFADHO CC(C)[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245735930 426767631 /nfs/dbraw/zinc/76/76/31/426767631.db2.gz QUJGJYCYXJYEOA-RDGPPVDQSA-N 1 3 302.462 2.789 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](c1cncc(F)c1)C1CC1 ZINC000281817809 426773320 /nfs/dbraw/zinc/77/33/20/426773320.db2.gz ZKFSVHSXBFUUBW-SJORKVTESA-N 1 3 309.429 2.618 20 0 DFADHO COCCOCc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290494687 426776604 /nfs/dbraw/zinc/77/66/04/426776604.db2.gz OTGDUJUTXDXNAM-APWZRJJASA-N 1 3 320.477 2.622 20 0 DFADHO COCCOCc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290494687 426776608 /nfs/dbraw/zinc/77/66/08/426776608.db2.gz OTGDUJUTXDXNAM-APWZRJJASA-N 1 3 320.477 2.622 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCN[C@H](c2nccn2C)C2CC2)C1 ZINC000245902853 426780222 /nfs/dbraw/zinc/78/02/22/426780222.db2.gz SNLWFDNAXCSGLF-WBVHZDCISA-N 1 3 304.482 2.973 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCN[C@H](c2nccn2C)C2CC2)C1 ZINC000245902853 426780227 /nfs/dbraw/zinc/78/02/27/426780227.db2.gz SNLWFDNAXCSGLF-WBVHZDCISA-N 1 3 304.482 2.973 20 0 DFADHO C[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000245945986 426784024 /nfs/dbraw/zinc/78/40/24/426784024.db2.gz WQOLYSDJUSMTCE-XWTMOSNGSA-N 1 3 321.509 2.725 20 0 DFADHO Cc1ccncc1CCC[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000290363447 426749099 /nfs/dbraw/zinc/74/90/99/426749099.db2.gz GYQPBJLKAFRLQI-IBGZPJMESA-N 1 3 301.478 2.986 20 0 DFADHO Cc1ccncc1CCC[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000290363447 426749105 /nfs/dbraw/zinc/74/91/05/426749105.db2.gz GYQPBJLKAFRLQI-IBGZPJMESA-N 1 3 301.478 2.986 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000290444159 426766094 /nfs/dbraw/zinc/76/60/94/426766094.db2.gz VRAKIBNEROBLGI-NEWSRXKRSA-N 1 3 301.478 2.723 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000290444159 426766097 /nfs/dbraw/zinc/76/60/97/426766097.db2.gz VRAKIBNEROBLGI-NEWSRXKRSA-N 1 3 301.478 2.723 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000179523665 426798227 /nfs/dbraw/zinc/79/82/27/426798227.db2.gz AMBRRVRRIJRYSO-KBEZCGTCSA-N 1 3 323.431 2.782 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000179523665 426798230 /nfs/dbraw/zinc/79/82/30/426798230.db2.gz AMBRRVRRIJRYSO-KBEZCGTCSA-N 1 3 323.431 2.782 20 0 DFADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000290658102 426813844 /nfs/dbraw/zinc/81/38/44/426813844.db2.gz ZLWRQWXAJOGLHL-KRWDZBQOSA-N 1 3 316.445 2.622 20 0 DFADHO CN1CCC[C@H](C[N@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000274790021 426837203 /nfs/dbraw/zinc/83/72/03/426837203.db2.gz NRMGJRXSAGHVKP-BLLLJJGKSA-N 1 3 314.832 2.786 20 0 DFADHO CN1CCC[C@H](C[N@@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000274790021 426837206 /nfs/dbraw/zinc/83/72/06/426837206.db2.gz NRMGJRXSAGHVKP-BLLLJJGKSA-N 1 3 314.832 2.786 20 0 DFADHO CC(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180159061 426840491 /nfs/dbraw/zinc/84/04/91/426840491.db2.gz BRGYAFVFNIOCQH-ZGXWSNOMSA-N 1 3 316.489 2.894 20 0 DFADHO O[C@H](CN1CCC[C@@H]2CCC[C@H]21)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000246016548 426790756 /nfs/dbraw/zinc/79/07/56/426790756.db2.gz UKVPWJUNWRTQRK-VPAKFMSCSA-N 1 3 306.494 2.876 20 0 DFADHO O[C@H](CN1CCC[C@@H]2CCC[C@H]21)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000246016548 426790761 /nfs/dbraw/zinc/79/07/61/426790761.db2.gz UKVPWJUNWRTQRK-VPAKFMSCSA-N 1 3 306.494 2.876 20 0 DFADHO O[C@@H](CN1CCC[C@@H]2CCC[C@@H]21)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000246016548 426790769 /nfs/dbraw/zinc/79/07/69/426790769.db2.gz UKVPWJUNWRTQRK-VPAKFMSCSA-N 1 3 306.494 2.876 20 0 DFADHO O[C@@H](CN1CCC[C@@H]2CCC[C@@H]21)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000246016548 426790773 /nfs/dbraw/zinc/79/07/73/426790773.db2.gz UKVPWJUNWRTQRK-VPAKFMSCSA-N 1 3 306.494 2.876 20 0 DFADHO C[N@H+](CCO)C1CCN([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000275785442 426917043 /nfs/dbraw/zinc/91/70/43/426917043.db2.gz YCJHPMHHBWABET-PMACEKPBSA-N 1 3 316.489 2.885 20 0 DFADHO C[N@@H+](CCO)C1CCN([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000275785442 426917047 /nfs/dbraw/zinc/91/70/47/426917047.db2.gz YCJHPMHHBWABET-PMACEKPBSA-N 1 3 316.489 2.885 20 0 DFADHO C[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000275786283 426917414 /nfs/dbraw/zinc/91/74/14/426917414.db2.gz IMRSDZMNPPACIW-OWCLPIDISA-N 1 3 317.477 2.991 20 0 DFADHO CC(C)([NH3+])CCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309882469 426918317 /nfs/dbraw/zinc/91/83/17/426918317.db2.gz JZSFOVJEPKTXJU-QGZVFWFLSA-N 1 3 317.477 2.532 20 0 DFADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282237964 426859872 /nfs/dbraw/zinc/85/98/72/426859872.db2.gz IYBCASZMQNVFGD-IRXDYDNUSA-N 1 3 303.494 2.794 20 0 DFADHO C[C@H](NCCCC[NH+](C)C)c1ncc(Br)cc1F ZINC000275283282 426866499 /nfs/dbraw/zinc/86/64/99/426866499.db2.gz FGLRCRUTYFRXEL-JTQLQIEISA-N 1 3 318.234 2.976 20 0 DFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000282286895 426872173 /nfs/dbraw/zinc/87/21/73/426872173.db2.gz LJOTYLUDPCROFQ-CYBMUJFWSA-N 1 3 311.420 2.641 20 0 DFADHO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccccc1CCN(C)C ZINC000275570362 426872682 /nfs/dbraw/zinc/87/26/82/426872682.db2.gz CLDCAFMTWYRPRH-HNNXBMFYSA-N 1 3 320.481 2.643 20 0 DFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1CCN(C)C ZINC000275570362 426872688 /nfs/dbraw/zinc/87/26/88/426872688.db2.gz CLDCAFMTWYRPRH-HNNXBMFYSA-N 1 3 320.481 2.643 20 0 DFADHO CC(C)OC1CC(NCc2ccccc2OCC[NH+](C)C)C1 ZINC000189527295 426878107 /nfs/dbraw/zinc/87/81/07/426878107.db2.gz CGIXDHHIFUVCME-UHFFFAOYSA-N 1 3 306.450 2.673 20 0 DFADHO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000282341520 426886931 /nfs/dbraw/zinc/88/69/31/426886931.db2.gz VHYQCHJVFCOOCS-HKUYNNGSSA-N 1 3 320.477 2.922 20 0 DFADHO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000282341552 426887411 /nfs/dbraw/zinc/88/74/11/426887411.db2.gz VHYQCHJVFCOOCS-PKOBYXMFSA-N 1 3 320.477 2.922 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCN2c3ccccc3C[C@@H]2C)[C@@H](C)C1 ZINC000246992888 426889291 /nfs/dbraw/zinc/88/92/91/426889291.db2.gz KWGNQSMKHMVUNA-BQFCYCMXSA-N 1 3 301.478 2.758 20 0 DFADHO CC[N@H+]1CC[C@H](NCCN2c3ccccc3C[C@@H]2C)[C@@H](C)C1 ZINC000246992888 426889299 /nfs/dbraw/zinc/88/92/99/426889299.db2.gz KWGNQSMKHMVUNA-BQFCYCMXSA-N 1 3 301.478 2.758 20 0 DFADHO C[C@@](O)(C[NH2+]C1CCN(C2CCCC2)CC1)c1cccs1 ZINC000305168436 426891306 /nfs/dbraw/zinc/89/13/06/426891306.db2.gz ZCGFBWCRXRPVAI-QGZVFWFLSA-N 1 3 308.491 2.952 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccccc1CCN(C)C ZINC000275761714 426911064 /nfs/dbraw/zinc/91/10/64/426911064.db2.gz CNMLYBFDJIYQAA-AWEZNQCLSA-N 1 3 305.466 2.896 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)CCN1C ZINC000247971783 426972325 /nfs/dbraw/zinc/97/23/25/426972325.db2.gz JLVJKFPHXHJOFG-BRWVUGGUSA-N 1 3 305.466 2.879 20 0 DFADHO CCCN(CCN[C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000181716431 426975422 /nfs/dbraw/zinc/97/54/22/426975422.db2.gz JCVVCPPRYMBUSH-CABCVRRESA-N 1 3 313.486 2.706 20 0 DFADHO CCCN(CCN[C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000181716431 426975429 /nfs/dbraw/zinc/97/54/29/426975429.db2.gz JCVVCPPRYMBUSH-CABCVRRESA-N 1 3 313.486 2.706 20 0 DFADHO COc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1Br ZINC000291782616 426987239 /nfs/dbraw/zinc/98/72/39/426987239.db2.gz UZQMZLBJTAHSFJ-LLVKDONJSA-N 1 3 315.255 2.745 20 0 DFADHO CCN(CCC[NH+](C)C)C(=O)Nc1ccccc1CCN(C)C ZINC000276123674 426989760 /nfs/dbraw/zinc/98/97/60/426989760.db2.gz BSPYBKZQXCSVMM-UHFFFAOYSA-N 1 3 320.481 2.596 20 0 DFADHO C[C@@H]1CCN(CC2(C[N@@H+]3CC[C@H](C)[C@@H](C)C3)COC2)C[C@@H]1C ZINC000248420088 426999555 /nfs/dbraw/zinc/99/95/55/426999555.db2.gz LMOSDEHIBGPUCS-MHORFTMASA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H]1CCN(CC2(C[N@H+]3CC[C@H](C)[C@@H](C)C3)COC2)C[C@@H]1C ZINC000248420088 426999562 /nfs/dbraw/zinc/99/95/62/426999562.db2.gz LMOSDEHIBGPUCS-MHORFTMASA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H]1CC[N@@H+](CC2(CN3CC[C@H](C)[C@@H](C)C3)COC2)C[C@@H]1C ZINC000248420088 426999569 /nfs/dbraw/zinc/99/95/69/426999569.db2.gz LMOSDEHIBGPUCS-MHORFTMASA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H]1CC[N@H+](CC2(CN3CC[C@H](C)[C@@H](C)C3)COC2)C[C@@H]1C ZINC000248420088 426999574 /nfs/dbraw/zinc/99/95/74/426999574.db2.gz LMOSDEHIBGPUCS-MHORFTMASA-N 1 3 308.510 2.959 20 0 DFADHO C[C@H](NC[C@@H](O)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248592994 427019452 /nfs/dbraw/zinc/01/94/52/427019452.db2.gz RULDFLQLFMDPOL-HQRMLTQVSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@H](NC[C@@H](O)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248592994 427019460 /nfs/dbraw/zinc/01/94/60/427019460.db2.gz RULDFLQLFMDPOL-HQRMLTQVSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248592994 427019465 /nfs/dbraw/zinc/01/94/65/427019465.db2.gz RULDFLQLFMDPOL-HQRMLTQVSA-N 1 3 316.489 2.833 20 0 DFADHO CCCN[C@H](C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000295963365 427030104 /nfs/dbraw/zinc/03/01/04/427030104.db2.gz IAILBARHDPCXKH-OAHLLOKOSA-N 1 3 303.450 2.652 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C(C2CC2)C2CC2)C1 ZINC000182269650 427044588 /nfs/dbraw/zinc/04/45/88/427044588.db2.gz FOVDXDFSMGYFQB-GOSISDBHSA-N 1 3 300.446 2.531 20 0 DFADHO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(CN(C)C)cc1 ZINC000276471300 427076118 /nfs/dbraw/zinc/07/61/18/427076118.db2.gz PGCSTTQTWHFYHT-UHFFFAOYSA-N 1 3 319.493 2.942 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337989181 427076936 /nfs/dbraw/zinc/07/69/36/427076936.db2.gz LGQCLGGZLPKILB-QZTJIDSGSA-N 1 3 313.505 2.912 20 0 DFADHO C[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])N(C)Cc1ccccc1 ZINC000296108958 427078209 /nfs/dbraw/zinc/07/82/09/427078209.db2.gz SGCAPMGFBOHWGA-KBAYOESNSA-N 1 3 317.477 2.531 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])c(CN(C)C)c1 ZINC000296157247 427095266 /nfs/dbraw/zinc/09/52/66/427095266.db2.gz WILHOGWOARLYSZ-HOCLYGCPSA-N 1 3 303.450 2.903 20 0 DFADHO C[N@H+](CCN1CCN(CCCCCF)CC1)Cc1ccccc1 ZINC000283901872 427096014 /nfs/dbraw/zinc/09/60/14/427096014.db2.gz BMSCGSPKNUDMEQ-UHFFFAOYSA-N 1 3 321.484 2.876 20 0 DFADHO C[N@@H+](CCN1CCN(CCCCCF)CC1)Cc1ccccc1 ZINC000283901872 427096018 /nfs/dbraw/zinc/09/60/18/427096018.db2.gz BMSCGSPKNUDMEQ-UHFFFAOYSA-N 1 3 321.484 2.876 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000268776371 427111186 /nfs/dbraw/zinc/11/11/86/427111186.db2.gz RPPBUSGCHFOSFG-GPMSIDNRSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccccc1Cn1ccnc1 ZINC000268776371 427111192 /nfs/dbraw/zinc/11/11/92/427111192.db2.gz RPPBUSGCHFOSFG-GPMSIDNRSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccccc1Cn1ccnc1 ZINC000268776371 427111197 /nfs/dbraw/zinc/11/11/97/427111197.db2.gz RPPBUSGCHFOSFG-GPMSIDNRSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000338058192 427119629 /nfs/dbraw/zinc/11/96/29/427119629.db2.gz KNCKQBKCTDNSCX-OWCLPIDISA-N 1 3 309.498 2.628 20 0 DFADHO Cc1c([C@H](C)NCCCC[NH+](C)C)nnn1-c1ccc(C)cc1 ZINC000268811078 427125464 /nfs/dbraw/zinc/12/54/64/427125464.db2.gz AWUQSBWXKDBNGX-HNNXBMFYSA-N 1 3 315.465 2.877 20 0 DFADHO CC[NH+]1CCC(N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000268831090 427135445 /nfs/dbraw/zinc/13/54/45/427135445.db2.gz OITKTTPIOQONDM-LJQANCHMSA-N 1 3 316.445 2.983 20 0 DFADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)[C@@H](C)OC)CC2)cc1 ZINC000268879314 427139650 /nfs/dbraw/zinc/13/96/50/427139650.db2.gz FGNGNUNVUMEYGG-JKSUJKDBSA-N 1 3 320.477 2.920 20 0 DFADHO C[C@H](CCCCO)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000296297923 427141197 /nfs/dbraw/zinc/14/11/97/427141197.db2.gz FULSVEBKMHDAQF-CVEARBPZSA-N 1 3 308.466 2.829 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)c2ccsc2S1 ZINC000268986273 427141254 /nfs/dbraw/zinc/14/12/54/427141254.db2.gz LPCJADMPBVQNCW-WCQYABFASA-N 1 3 312.504 2.720 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000268992482 427143201 /nfs/dbraw/zinc/14/32/01/427143201.db2.gz MTMWOJBHNFWOAT-HNNXBMFYSA-N 1 3 324.852 2.600 20 0 DFADHO COC[C@@H](NCCC1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182837888 427153734 /nfs/dbraw/zinc/15/37/34/427153734.db2.gz LUUOCMIRINVTAK-QGZVFWFLSA-N 1 3 312.404 2.974 20 0 DFADHO C[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(OCCN(C)C)cc1 ZINC000296359388 427157451 /nfs/dbraw/zinc/15/74/51/427157451.db2.gz IQWTYDZVWZYHBH-OAHLLOKOSA-N 1 3 308.466 2.686 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)CN1CCCC1)CC2 ZINC000162602269 271085593 /nfs/dbraw/zinc/08/55/93/271085593.db2.gz CIEQWQVUBWLBIU-CRAIPNDOSA-N 1 3 302.462 2.874 20 0 DFADHO [NH3+]CCCCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000237995899 271255088 /nfs/dbraw/zinc/25/50/88/271255088.db2.gz HGZQSMBOCHAYPB-GOSISDBHSA-N 1 3 317.477 2.676 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CCN(C2CCCC2)CC1 ZINC000303360595 271364192 /nfs/dbraw/zinc/36/41/92/271364192.db2.gz ZNTLNYJMHGUAIE-UHFFFAOYSA-N 1 3 323.525 2.975 20 0 DFADHO C[C@H]1C[C@@H](CCNCc2cncn2C)C[N@@H+]1Cc1ccccc1 ZINC000338196212 427186414 /nfs/dbraw/zinc/18/64/14/427186414.db2.gz NIBNKRDOLYRWHK-FUHWJXTLSA-N 1 3 312.461 2.810 20 0 DFADHO C[C@H]1C[C@@H](CCNCc2cncn2C)C[N@H+]1Cc1ccccc1 ZINC000338196212 427186417 /nfs/dbraw/zinc/18/64/17/427186417.db2.gz NIBNKRDOLYRWHK-FUHWJXTLSA-N 1 3 312.461 2.810 20 0 DFADHO CN1CCC[C@H]1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292894207 427204140 /nfs/dbraw/zinc/20/41/40/427204140.db2.gz ZABPZQFLLREPNW-ROUUACIJSA-N 1 3 302.462 2.964 20 0 DFADHO c1cn(CC[NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000183125692 427205904 /nfs/dbraw/zinc/20/59/04/427205904.db2.gz YDMPTQOCRNZBNN-ZCNNSNEGSA-N 1 3 324.472 2.773 20 0 DFADHO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000183237378 427230179 /nfs/dbraw/zinc/23/01/79/427230179.db2.gz MPNHODGFYCDKDZ-CABCVRRESA-N 1 3 311.470 2.508 20 0 DFADHO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NCCC[NH+]1CCCC1 ZINC000183237378 427230185 /nfs/dbraw/zinc/23/01/85/427230185.db2.gz MPNHODGFYCDKDZ-CABCVRRESA-N 1 3 311.470 2.508 20 0 DFADHO C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(N(C)CCCO)CC1 ZINC000183303482 427242459 /nfs/dbraw/zinc/24/24/59/427242459.db2.gz RBEJNZLWMODKRC-INIZCTEOSA-N 1 3 322.468 2.925 20 0 DFADHO CC(C)[NH+]1CCC(N(C)CCC(=O)N(C)c2ccccc2)CC1 ZINC000269728431 427264609 /nfs/dbraw/zinc/26/46/09/427264609.db2.gz WZSPIPZUUWWFFJ-UHFFFAOYSA-N 1 3 317.477 2.844 20 0 DFADHO OC[C@@H]1CCC[N@@H+]1CCCCN[C@H]1CCc2c1c(F)ccc2F ZINC000269901172 427302139 /nfs/dbraw/zinc/30/21/39/427302139.db2.gz GRUYXIQDQXPAJM-GUYCJALGSA-N 1 3 324.415 2.779 20 0 DFADHO OC[C@@H]1CCC[N@H+]1CCCCN[C@H]1CCc2c1c(F)ccc2F ZINC000269901172 427302145 /nfs/dbraw/zinc/30/21/45/427302145.db2.gz GRUYXIQDQXPAJM-GUYCJALGSA-N 1 3 324.415 2.779 20 0 DFADHO COc1cccc(CNCC2CC[NH+](CCC(C)C)CC2)n1 ZINC000191296769 427310845 /nfs/dbraw/zinc/31/08/45/427310845.db2.gz BZPIVCJIQGMLPE-UHFFFAOYSA-N 1 3 305.466 2.938 20 0 DFADHO C[NH+]1CCC(O)(CNCc2cc(Cl)ccc2Cl)CC1 ZINC000269877610 427296443 /nfs/dbraw/zinc/29/64/43/427296443.db2.gz QHJMIAMBYRDXTR-UHFFFAOYSA-N 1 3 303.233 2.540 20 0 DFADHO CC(C)(CCC[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000293576308 427370144 /nfs/dbraw/zinc/37/01/44/427370144.db2.gz CVGFOQIJYDJVFJ-UHFFFAOYSA-N 1 3 317.477 2.532 20 0 DFADHO CCO[C@@H]1C[C@H](NCc2cccc(C[NH+](C)C)c2)[C@@H]1SC ZINC000297313108 427397569 /nfs/dbraw/zinc/39/75/69/427397569.db2.gz BWXIDTJWAIENJY-BBWFWOEESA-N 1 3 308.491 2.747 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000293568108 427368139 /nfs/dbraw/zinc/36/81/39/427368139.db2.gz XVWGMSNFFYRDFP-AWEZNQCLSA-N 1 3 305.466 2.627 20 0 DFADHO CC(C)[NH+]1CCC(N[C@@H]2CCN(c3ccccc3F)C2)CC1 ZINC000293823662 427451172 /nfs/dbraw/zinc/45/11/72/427451172.db2.gz WDGFHKRMGOQROO-MRXNPFEDSA-N 1 3 305.441 2.867 20 0 DFADHO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000278788927 427451301 /nfs/dbraw/zinc/45/13/01/427451301.db2.gz YPARTIQMDVFQCJ-VKJFTORMSA-N 1 3 306.450 2.703 20 0 DFADHO Cc1cncc([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000184416434 427456516 /nfs/dbraw/zinc/45/65/16/427456516.db2.gz IMYKNRXMWCRKBQ-LZQZEXGQSA-N 1 3 317.477 2.809 20 0 DFADHO CN(C)Cc1ccc(C(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000293836607 427457413 /nfs/dbraw/zinc/45/74/13/427457413.db2.gz FDXJUFRBRATMOT-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO CC(C)C[C@H](CCO)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297818568 427460712 /nfs/dbraw/zinc/46/07/12/427460712.db2.gz YRDYCBYUUBSEDQ-INIZCTEOSA-N 1 3 305.466 2.685 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccnc(N)c1 ZINC000278871981 427484331 /nfs/dbraw/zinc/48/43/31/427484331.db2.gz OEMSPDADHQYDKV-CRAIPNDOSA-N 1 3 310.445 2.664 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccnc(N)c1 ZINC000278871981 427484336 /nfs/dbraw/zinc/48/43/36/427484336.db2.gz OEMSPDADHQYDKV-CRAIPNDOSA-N 1 3 310.445 2.664 20 0 DFADHO C[C@@H](CCO)C1(C[NH2+]C2CCN(c3ccncc3)CC2)CCC1 ZINC000297676584 427427957 /nfs/dbraw/zinc/42/79/57/427427957.db2.gz OXUUCPKURKQUMQ-INIZCTEOSA-N 1 3 317.477 2.829 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)[C@H]2C)C1 ZINC000293779563 427433261 /nfs/dbraw/zinc/43/32/61/427433261.db2.gz QBDWMIDZMICMHU-DFQSSKMNSA-N 1 3 315.505 2.971 20 0 DFADHO c1ccc([C@@H]2OCC[C@H]2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000191858112 427434750 /nfs/dbraw/zinc/43/47/50/427434750.db2.gz HWUKPECPGOSWPY-MANSERQUSA-N 1 3 300.446 2.981 20 0 DFADHO c1ccc([C@@H]2OCC[C@H]2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000191858112 427434759 /nfs/dbraw/zinc/43/47/59/427434759.db2.gz HWUKPECPGOSWPY-MANSERQUSA-N 1 3 300.446 2.981 20 0 DFADHO C[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000286150680 427438257 /nfs/dbraw/zinc/43/82/57/427438257.db2.gz PJPBJRBHFDTRAX-GDAAHCPNSA-N 1 3 302.462 2.648 20 0 DFADHO Cc1cncc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000184361863 427447144 /nfs/dbraw/zinc/44/71/44/427447144.db2.gz NGWQIBHXNXDVSP-HZPDHXFCSA-N 1 3 303.450 2.542 20 0 DFADHO COc1ccc(F)c(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000293957486 427502691 /nfs/dbraw/zinc/50/26/91/427502691.db2.gz PPCOMVIGXYDSHP-OAHLLOKOSA-N 1 3 306.425 2.998 20 0 DFADHO Cc1ccncc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000271352348 427504767 /nfs/dbraw/zinc/50/47/67/427504767.db2.gz DLLVJNGZWBOHHS-BBWFWOEESA-N 1 3 305.466 2.930 20 0 DFADHO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000271430165 427535102 /nfs/dbraw/zinc/53/51/02/427535102.db2.gz DJJZIPFJGSNUJK-HOTGVXAUSA-N 1 3 316.449 2.563 20 0 DFADHO Cc1ccc(NC2CC[NH+](C3CC3)CC2)c(OCCN(C)C)c1 ZINC000298240803 427544134 /nfs/dbraw/zinc/54/41/34/427544134.db2.gz CEJVDWZDXPBVGS-UHFFFAOYSA-N 1 3 317.477 2.974 20 0 DFADHO C[N@@H+](CCc1cn[nH]c1)CCC1CCN(c2ccncc2)CC1 ZINC000298245275 427544305 /nfs/dbraw/zinc/54/43/05/427544305.db2.gz CVWMYZLAZOZQCN-UHFFFAOYSA-N 1 3 313.449 2.586 20 0 DFADHO C[N@H+](CCc1cn[nH]c1)CCC1CCN(c2ccncc2)CC1 ZINC000298245275 427544312 /nfs/dbraw/zinc/54/43/12/427544312.db2.gz CVWMYZLAZOZQCN-UHFFFAOYSA-N 1 3 313.449 2.586 20 0 DFADHO c1cc(N2CCC([NH2+]CCCOC3CCCC3)CC2)ccn1 ZINC000298244134 427544351 /nfs/dbraw/zinc/54/43/51/427544351.db2.gz CSBPHLNPJRXCRR-UHFFFAOYSA-N 1 3 303.450 2.989 20 0 DFADHO C[C@](O)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccsc1 ZINC000298478586 427624183 /nfs/dbraw/zinc/62/41/83/427624183.db2.gz PIIXBULFIUMBRT-KRWDZBQOSA-N 1 3 317.458 2.609 20 0 DFADHO Cc1ccncc1[C@@H](C)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000271485618 427558088 /nfs/dbraw/zinc/55/80/88/427558088.db2.gz IXCKUQXTLDNIEC-CVEARBPZSA-N 1 3 303.450 2.542 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C)C2)c(-c2ccnn2C)c1 ZINC000338937613 427570372 /nfs/dbraw/zinc/57/03/72/427570372.db2.gz TUFCFFNSPOAKDY-MRXNPFEDSA-N 1 3 312.461 2.779 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C)C2)c(-c2ccnn2C)c1 ZINC000338937613 427570377 /nfs/dbraw/zinc/57/03/77/427570377.db2.gz TUFCFFNSPOAKDY-MRXNPFEDSA-N 1 3 312.461 2.779 20 0 DFADHO CCCCOCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000338940913 427572250 /nfs/dbraw/zinc/57/22/50/427572250.db2.gz ZMIDIDWKMGAXLQ-IAGOWNOFSA-N 1 3 312.498 2.624 20 0 DFADHO O[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1F ZINC000298516003 427634063 /nfs/dbraw/zinc/63/40/63/427634063.db2.gz RGBTUSWIPIRBSK-SFHVURJKSA-N 1 3 315.392 2.513 20 0 DFADHO Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192924486 427634644 /nfs/dbraw/zinc/63/46/44/427634644.db2.gz DVUVNVFIEWYDTD-SFHVURJKSA-N 1 3 312.461 2.649 20 0 DFADHO COc1ccc(O[C@H](C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192909148 427635388 /nfs/dbraw/zinc/63/53/88/427635388.db2.gz FWMCICJGYJQNJH-WZYMTQMTSA-N 1 3 304.434 2.677 20 0 DFADHO COc1ccc(O[C@H](C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192909148 427635398 /nfs/dbraw/zinc/63/53/98/427635398.db2.gz FWMCICJGYJQNJH-WZYMTQMTSA-N 1 3 304.434 2.677 20 0 DFADHO CCCN1CCC([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000192921040 427636793 /nfs/dbraw/zinc/63/67/93/427636793.db2.gz RYAHQYDCDICKMT-LJQANCHMSA-N 1 3 315.505 2.973 20 0 DFADHO Fc1ccc(OCC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298545188 427645169 /nfs/dbraw/zinc/64/51/69/427645169.db2.gz UAYIGLKTPRUYKX-UHFFFAOYSA-N 1 3 315.392 2.858 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cn3cccnc3n2)C1 ZINC000298561910 427648123 /nfs/dbraw/zinc/64/81/23/427648123.db2.gz WBEQGSCKYCEUMY-HZPDHXFCSA-N 1 3 315.465 2.577 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC000342291776 271983294 /nfs/dbraw/zinc/98/32/94/271983294.db2.gz NRSUTXZUVODMIY-SJORKVTESA-N 1 3 305.441 2.809 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000287632457 427658409 /nfs/dbraw/zinc/65/84/09/427658409.db2.gz UGPQEFMAAILBCX-RYRKJORJSA-N 1 3 320.477 2.950 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000342776428 272052940 /nfs/dbraw/zinc/05/29/40/272052940.db2.gz HAWNEFVYCPEWLQ-GOSISDBHSA-N 1 3 321.509 2.585 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000295043626 427670216 /nfs/dbraw/zinc/67/02/16/427670216.db2.gz FBYGSVBYKFHBKR-HZPDHXFCSA-N 1 3 303.450 2.903 20 0 DFADHO CN1CCCN(CCC[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343101793 272086295 /nfs/dbraw/zinc/08/62/95/272086295.db2.gz JFRIZPFNZPYJHR-SFHVURJKSA-N 1 3 321.896 2.945 20 0 DFADHO C[C@@H]1CN(CCCc2ccsc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000343719592 272207835 /nfs/dbraw/zinc/20/78/35/272207835.db2.gz KWEBTADATICQST-MRXNPFEDSA-N 1 3 321.534 2.781 20 0 DFADHO C[C@@H]1CN(CCCc2ccsc2)CC[N@H+]1C1CCN(C)CC1 ZINC000343719592 272207836 /nfs/dbraw/zinc/20/78/36/272207836.db2.gz KWEBTADATICQST-MRXNPFEDSA-N 1 3 321.534 2.781 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000344064380 272255099 /nfs/dbraw/zinc/25/50/99/272255099.db2.gz NSKQFKPEOZOYBZ-HNNXBMFYSA-N 1 3 305.457 2.627 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000344064380 272255100 /nfs/dbraw/zinc/25/51/00/272255100.db2.gz NSKQFKPEOZOYBZ-HNNXBMFYSA-N 1 3 305.457 2.627 20 0 DFADHO C[N@H+]1CC=C(CN[C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000344294594 272306438 /nfs/dbraw/zinc/30/64/38/272306438.db2.gz JEMHBOVTXFCAKP-IBGZPJMESA-N 1 3 308.429 2.612 20 0 DFADHO C[N@@H+]1CC=C(CN[C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000344294594 272306441 /nfs/dbraw/zinc/30/64/41/272306441.db2.gz JEMHBOVTXFCAKP-IBGZPJMESA-N 1 3 308.429 2.612 20 0 DFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000344662696 272353133 /nfs/dbraw/zinc/35/31/33/272353133.db2.gz KFVCWYUIEZAZRK-IAGOWNOFSA-N 1 3 321.509 2.630 20 0 DFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000344662696 272353135 /nfs/dbraw/zinc/35/31/35/272353135.db2.gz KFVCWYUIEZAZRK-IAGOWNOFSA-N 1 3 321.509 2.630 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193313654 427681894 /nfs/dbraw/zinc/68/18/94/427681894.db2.gz MCBIZNMAKSZKKG-HDDXRBDOSA-N 1 3 314.473 2.931 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193313654 427681900 /nfs/dbraw/zinc/68/19/00/427681900.db2.gz MCBIZNMAKSZKKG-HDDXRBDOSA-N 1 3 314.473 2.931 20 0 DFADHO COc1cc2nccc(N3CC[C@H](C[NH+](C)C)C3)c2cc1OC ZINC000298856603 427717996 /nfs/dbraw/zinc/71/79/96/427717996.db2.gz JGCCBLOJMXXDDZ-CYBMUJFWSA-N 1 3 315.417 2.640 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@@H]1C ZINC000336871835 427769210 /nfs/dbraw/zinc/76/92/10/427769210.db2.gz NIHCOZVZCQWWTA-XJKSGUPXSA-N 1 3 315.465 2.581 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@@H]1C ZINC000336871835 427769213 /nfs/dbraw/zinc/76/92/13/427769213.db2.gz NIHCOZVZCQWWTA-XJKSGUPXSA-N 1 3 315.465 2.581 20 0 DFADHO Cc1cccc2ncc(CNCCCCC[NH+]3CCCC3)n21 ZINC000339501373 427783960 /nfs/dbraw/zinc/78/39/60/427783960.db2.gz WFHSLSFEYYZXPA-UHFFFAOYSA-N 1 3 300.450 2.998 20 0 DFADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@H]1CCOC1 ZINC000336656111 427745737 /nfs/dbraw/zinc/74/57/37/427745737.db2.gz KQHWMTLLADATQW-AXDKOMKPSA-N 1 3 314.473 2.912 20 0 DFADHO COc1cc2nccc(NCC3=CC[N@H+](C)CC3)c2cc1OC ZINC000299081762 427748663 /nfs/dbraw/zinc/74/86/63/427748663.db2.gz VSOTUZGEUGNOMQ-UHFFFAOYSA-N 1 3 313.401 2.926 20 0 DFADHO COc1cc2nccc(NCC3=CC[N@@H+](C)CC3)c2cc1OC ZINC000299081762 427748666 /nfs/dbraw/zinc/74/86/66/427748666.db2.gz VSOTUZGEUGNOMQ-UHFFFAOYSA-N 1 3 313.401 2.926 20 0 DFADHO C[C@H](CCC[NH3+])NCc1cc(Br)cc2c1OCC2 ZINC000336791952 427751705 /nfs/dbraw/zinc/75/17/05/427751705.db2.gz PUVPQSYXYGBHDV-SNVBAGLBSA-N 1 3 313.239 2.601 20 0 DFADHO C[C@@H](NCCC[N@H+](C)C1CCCCC1)C(C)(C)n1cncn1 ZINC000340470296 427857329 /nfs/dbraw/zinc/85/73/29/427857329.db2.gz NVXWBZQWUAALKP-OAHLLOKOSA-N 1 3 307.486 2.646 20 0 DFADHO C[C@@H](NCCC[N@@H+](C)C1CCCCC1)C(C)(C)n1cncn1 ZINC000340470296 427857331 /nfs/dbraw/zinc/85/73/31/427857331.db2.gz NVXWBZQWUAALKP-OAHLLOKOSA-N 1 3 307.486 2.646 20 0 DFADHO C[C@@H]([NH2+]CCCN(C)C1CCCCC1)C(C)(C)n1cncn1 ZINC000340470296 427857334 /nfs/dbraw/zinc/85/73/34/427857334.db2.gz NVXWBZQWUAALKP-OAHLLOKOSA-N 1 3 307.486 2.646 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C[C@H]1C ZINC000359408057 427839632 /nfs/dbraw/zinc/83/96/32/427839632.db2.gz JWPSYFHWKNUAHZ-ZHCJQAHYSA-N 1 3 308.466 2.571 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000345657202 427848741 /nfs/dbraw/zinc/84/87/41/427848741.db2.gz VFUGDLBLFVBZDF-KZNAEPCWSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000345657202 427848747 /nfs/dbraw/zinc/84/87/47/427848747.db2.gz VFUGDLBLFVBZDF-KZNAEPCWSA-N 1 3 323.525 2.687 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H](C)c1cc(F)cc(F)c1 ZINC000349720340 427850052 /nfs/dbraw/zinc/85/00/52/427850052.db2.gz KPQSXCREUZSULK-ZDUSSCGKSA-N 1 3 300.393 2.974 20 0 DFADHO CC[C@@H](Cn1cncn1)NCc1ccccc1C[N@H+](C)C(C)C ZINC000340461604 427854767 /nfs/dbraw/zinc/85/47/67/427854767.db2.gz KIROTCLLNBSNOQ-SFHVURJKSA-N 1 3 315.465 2.687 20 0 DFADHO CC[C@@H](Cn1cncn1)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000340461604 427854773 /nfs/dbraw/zinc/85/47/73/427854773.db2.gz KIROTCLLNBSNOQ-SFHVURJKSA-N 1 3 315.465 2.687 20 0 DFADHO CC[N@H+](CCC1CCN(C[C@@H](O)C(F)(F)F)CC1)CC(C)C ZINC000359589263 427925136 /nfs/dbraw/zinc/92/51/36/427925136.db2.gz ZYTJJWOPDFALFC-OAHLLOKOSA-N 1 3 324.431 2.990 20 0 DFADHO CC[N@@H+](CCC1CCN(C[C@@H](O)C(F)(F)F)CC1)CC(C)C ZINC000359589263 427925138 /nfs/dbraw/zinc/92/51/38/427925138.db2.gz ZYTJJWOPDFALFC-OAHLLOKOSA-N 1 3 324.431 2.990 20 0 DFADHO CCSCC[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC000355731153 427866646 /nfs/dbraw/zinc/86/66/46/427866646.db2.gz GZSWHOFXIHXRRW-UHFFFAOYSA-N 1 3 321.534 2.667 20 0 DFADHO CC(C)[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)N1CCCCC1 ZINC000359519178 427887606 /nfs/dbraw/zinc/88/76/06/427887606.db2.gz RDSOECUCXBNBHO-ZWKOTPCHSA-N 1 3 323.525 2.830 20 0 DFADHO CC(C)[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)N1CCCCC1 ZINC000359519178 427887608 /nfs/dbraw/zinc/88/76/08/427887608.db2.gz RDSOECUCXBNBHO-ZWKOTPCHSA-N 1 3 323.525 2.830 20 0 DFADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000355790050 427893745 /nfs/dbraw/zinc/89/37/45/427893745.db2.gz HRXFRWYECGELJL-CWLKWCNXSA-N 1 3 317.477 2.524 20 0 DFADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000355790050 427893752 /nfs/dbraw/zinc/89/37/52/427893752.db2.gz HRXFRWYECGELJL-CWLKWCNXSA-N 1 3 317.477 2.524 20 0 DFADHO C[C@H](CC1CCOCC1)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000349971453 427911793 /nfs/dbraw/zinc/91/17/93/427911793.db2.gz JQFRLEONTAYULE-OQIJWPOYSA-N 1 3 324.509 2.623 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000337469176 427920466 /nfs/dbraw/zinc/92/04/66/427920466.db2.gz OPIRZWUTSFKONL-HUUCEWRRSA-N 1 3 321.431 2.675 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000337469176 427920469 /nfs/dbraw/zinc/92/04/69/427920469.db2.gz OPIRZWUTSFKONL-HUUCEWRRSA-N 1 3 321.431 2.675 20 0 DFADHO CC(C)COCC[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000337469788 427920611 /nfs/dbraw/zinc/92/06/11/427920611.db2.gz OUYJZKYBDXPISJ-RTBURBONSA-N 1 3 302.462 2.723 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000359587546 427923852 /nfs/dbraw/zinc/92/38/52/427923852.db2.gz FCILMUGATARLKM-SJORKVTESA-N 1 3 316.489 2.569 20 0 DFADHO C[C@@H](O)C[N@H+](C)C1CCN(C[C@H]2CCc3ccccc3C2)CC1 ZINC000359587546 427923857 /nfs/dbraw/zinc/92/38/57/427923857.db2.gz FCILMUGATARLKM-SJORKVTESA-N 1 3 316.489 2.569 20 0 DFADHO C[C@@H](O)C[N@@H+](C)C1CCN(C[C@H]2CCc3ccccc3C2)CC1 ZINC000359587546 427923859 /nfs/dbraw/zinc/92/38/59/427923859.db2.gz FCILMUGATARLKM-SJORKVTESA-N 1 3 316.489 2.569 20 0 DFADHO CCN(CC)c1ncc(CN2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000347023852 272712712 /nfs/dbraw/zinc/71/27/12/272712712.db2.gz QEHAUUGOLHVOQF-MRXNPFEDSA-N 1 3 322.522 2.953 20 0 DFADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc2c(c1)CCCC2 ZINC000341033212 427973692 /nfs/dbraw/zinc/97/36/92/427973692.db2.gz KMSQMHLBGXMDNC-HNAYVOBHSA-N 1 3 302.462 2.673 20 0 DFADHO CCC[NH+]1CCC(CNCc2cn3cc(C)ccc3n2)CC1 ZINC000341043706 427976095 /nfs/dbraw/zinc/97/60/95/427976095.db2.gz JDLOGQAIIHSJLD-UHFFFAOYSA-N 1 3 300.450 2.854 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)CN(C)C)[C@H]1Oc1ccccc1 ZINC000359716187 427986577 /nfs/dbraw/zinc/98/65/77/427986577.db2.gz MHIJQKQYKQNZBZ-KZNAEPCWSA-N 1 3 320.477 2.789 20 0 DFADHO c1cncc(CN2CCC([NH2+]CCCN3CCCCC3)CC2)c1 ZINC000359621607 427940413 /nfs/dbraw/zinc/94/04/13/427940413.db2.gz VLOIQEAGIWQUSH-UHFFFAOYSA-N 1 3 316.493 2.512 20 0 DFADHO C[C@@H](CCCC(F)(F)F)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000359636905 427946753 /nfs/dbraw/zinc/94/67/53/427946753.db2.gz JHCHKAOXXMFJEY-ZDUSSCGKSA-N 1 3 309.420 2.723 20 0 DFADHO C[C@@H]1C[N@@H+](CC2CCN(CCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000369583407 428006543 /nfs/dbraw/zinc/00/65/43/428006543.db2.gz ILKOKSXJHKGVMW-BETUJISGSA-N 1 3 308.388 2.760 20 0 DFADHO C[C@@H]1C[N@H+](CC2CCN(CCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000369583407 428006547 /nfs/dbraw/zinc/00/65/47/428006547.db2.gz ILKOKSXJHKGVMW-BETUJISGSA-N 1 3 308.388 2.760 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC[C@@H](O)CCc2ccccc2)CC1 ZINC000346282128 428106984 /nfs/dbraw/zinc/10/69/84/428106984.db2.gz VRYBNEJXABZLNK-SFHVURJKSA-N 1 3 304.478 2.833 20 0 DFADHO C[NH+]1CCC(N2CCC(NC(=O)CC3(C)CCCC3)CC2)CC1 ZINC000377351607 428110292 /nfs/dbraw/zinc/11/02/92/428110292.db2.gz BUCILMOGFAJSBU-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO CC(C)[C@@H]1C[C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)CS1 ZINC000377388223 428118648 /nfs/dbraw/zinc/11/86/48/428118648.db2.gz XDXFXQCDJCKVMZ-OIISXLGYSA-N 1 3 312.523 2.607 20 0 DFADHO COC(=O)c1cccc(CN(CCC[NH3+])CC2CCCC2)c1 ZINC000352541552 428143086 /nfs/dbraw/zinc/14/30/86/428143086.db2.gz ZCVUBXSTXSDUAJ-UHFFFAOYSA-N 1 3 304.434 2.814 20 0 DFADHO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000377628943 428176942 /nfs/dbraw/zinc/17/69/42/428176942.db2.gz OYTILZSQKMYQOK-QUCCMNQESA-N 1 3 319.537 2.938 20 0 DFADHO OC[C@@H]1C[N@H+](CCCN2CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000377715475 428205316 /nfs/dbraw/zinc/20/53/16/428205316.db2.gz FARIVKKCGHRZBB-WMZOPIPTSA-N 1 3 322.880 2.834 20 0 DFADHO OC[C@@H]1C[N@@H+](CCCN2CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000377715475 428205324 /nfs/dbraw/zinc/20/53/24/428205324.db2.gz FARIVKKCGHRZBB-WMZOPIPTSA-N 1 3 322.880 2.834 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1C[C@@H]1C ZINC000414107836 428209097 /nfs/dbraw/zinc/20/90/97/428209097.db2.gz ZGLNBHWCDOKARE-QGTPRVQTSA-N 1 3 317.477 2.502 20 0 DFADHO COC[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414172297 428225267 /nfs/dbraw/zinc/22/52/67/428225267.db2.gz DSXYHHYSYSCNQB-SUMWQHHRSA-N 1 3 312.404 2.974 20 0 DFADHO COC[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414172297 428225272 /nfs/dbraw/zinc/22/52/72/428225272.db2.gz DSXYHHYSYSCNQB-SUMWQHHRSA-N 1 3 312.404 2.974 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(CC)nc2)[C@@H](C)C1 ZINC000352760032 428235551 /nfs/dbraw/zinc/23/55/51/428235551.db2.gz NCTFNWQEUPYDPY-LPHOPBHVSA-N 1 3 319.493 2.871 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(CN(C)C)cc2)cn1 ZINC000414053119 428193148 /nfs/dbraw/zinc/19/31/48/428193148.db2.gz AKFWSHRHTBUTKX-OAHLLOKOSA-N 1 3 313.445 2.873 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cn1 ZINC000414074793 428198807 /nfs/dbraw/zinc/19/88/07/428198807.db2.gz OOJSFZLLLUAAJN-JKSUJKDBSA-N 1 3 305.466 2.733 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@H](C)C[NH+]2CCCCC2)cn1 ZINC000414074793 428198810 /nfs/dbraw/zinc/19/88/10/428198810.db2.gz OOJSFZLLLUAAJN-JKSUJKDBSA-N 1 3 305.466 2.733 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cn1 ZINC000414074791 428199012 /nfs/dbraw/zinc/19/90/12/428199012.db2.gz OOJSFZLLLUAAJN-HZPDHXFCSA-N 1 3 305.466 2.733 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC000414074791 428199016 /nfs/dbraw/zinc/19/90/16/428199016.db2.gz OOJSFZLLLUAAJN-HZPDHXFCSA-N 1 3 305.466 2.733 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNCc2ncc(CN(C)C)s2)C1 ZINC000352825602 428265485 /nfs/dbraw/zinc/26/54/85/428265485.db2.gz SRTLNMKARQMOFA-HNNXBMFYSA-N 1 3 324.538 2.806 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNCc2ncc(CN(C)C)s2)C1 ZINC000352825602 428265490 /nfs/dbraw/zinc/26/54/90/428265490.db2.gz SRTLNMKARQMOFA-HNNXBMFYSA-N 1 3 324.538 2.806 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370676901 428270072 /nfs/dbraw/zinc/27/00/72/428270072.db2.gz PERYGMJGVJJUKA-IPMKNSEASA-N 1 3 320.452 2.990 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370676901 428270076 /nfs/dbraw/zinc/27/00/76/428270076.db2.gz PERYGMJGVJJUKA-IPMKNSEASA-N 1 3 320.452 2.990 20 0 DFADHO [NH3+]CCCOC1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000346691988 428276767 /nfs/dbraw/zinc/27/67/67/428276767.db2.gz XGMAEXCMECJRHY-UHFFFAOYSA-N 1 3 306.381 2.902 20 0 DFADHO Cc1occc1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000414378670 428278172 /nfs/dbraw/zinc/27/81/72/428278172.db2.gz HHTLNIVIZBNZKZ-GASCZTMLSA-N 1 3 306.450 2.909 20 0 DFADHO Cc1occc1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000414378670 428278179 /nfs/dbraw/zinc/27/81/79/428278179.db2.gz HHTLNIVIZBNZKZ-GASCZTMLSA-N 1 3 306.450 2.909 20 0 DFADHO CC(C)Cn1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000377883364 428253574 /nfs/dbraw/zinc/25/35/74/428253574.db2.gz JHPBNZPKUJDJIF-SFHVURJKSA-N 1 3 304.482 2.703 20 0 DFADHO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)s1 ZINC000370625425 428256529 /nfs/dbraw/zinc/25/65/29/428256529.db2.gz XSNHHIRFSJMKDK-CABCVRRESA-N 1 3 307.507 2.876 20 0 DFADHO C[C@]1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCOC1 ZINC000356840452 428334524 /nfs/dbraw/zinc/33/45/24/428334524.db2.gz FLTZJFRJZSOUGP-UAFMIMERSA-N 1 3 314.473 2.913 20 0 DFADHO Cc1cccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000346833666 428337757 /nfs/dbraw/zinc/33/77/57/428337757.db2.gz MHKNMESRVSTDCX-CGTJXYLNSA-N 1 3 310.445 2.944 20 0 DFADHO CCN1CC[C@H]([NH2+]CC(C)(C)CN(C)Cc2ccccc2)C1 ZINC000414548647 428337775 /nfs/dbraw/zinc/33/77/75/428337775.db2.gz YBHFXHOHGUQTFF-SFHVURJKSA-N 1 3 303.494 2.828 20 0 DFADHO CCN1CC[C@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000414548647 428337777 /nfs/dbraw/zinc/33/77/77/428337777.db2.gz YBHFXHOHGUQTFF-SFHVURJKSA-N 1 3 303.494 2.828 20 0 DFADHO CCN1CC[C@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000414548647 428337780 /nfs/dbraw/zinc/33/77/80/428337780.db2.gz YBHFXHOHGUQTFF-SFHVURJKSA-N 1 3 303.494 2.828 20 0 DFADHO CC[C@@H](C)C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414560676 428338671 /nfs/dbraw/zinc/33/86/71/428338671.db2.gz XLJDWOBUHZEFPK-OAHLLOKOSA-N 1 3 317.477 2.520 20 0 DFADHO Cn1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2ccccc2)n1 ZINC000346838364 428339309 /nfs/dbraw/zinc/33/93/09/428339309.db2.gz XBGVGBWUUKMSQP-RYQLBKOJSA-N 1 3 310.445 2.646 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(Oc4cnccn4)cc3)C[C@H]21 ZINC000346839746 428339803 /nfs/dbraw/zinc/33/98/03/428339803.db2.gz SVUSKJODPMJGPB-CGTJXYLNSA-N 1 3 324.428 2.828 20 0 DFADHO C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000356858324 428339784 /nfs/dbraw/zinc/33/97/84/428339784.db2.gz XMHBDMBYEDPJSB-RSPOEFSDSA-N 1 3 324.472 2.772 20 0 DFADHO CC(C)C[C@@H](N)C[N@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000414750876 428392356 /nfs/dbraw/zinc/39/23/56/428392356.db2.gz YZQVPRQOILCNNF-SJORKVTESA-N 1 3 308.466 2.510 20 0 DFADHO CC(C)C[C@@H](N)C[N@@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000414750876 428392359 /nfs/dbraw/zinc/39/23/59/428392359.db2.gz YZQVPRQOILCNNF-SJORKVTESA-N 1 3 308.466 2.510 20 0 DFADHO COCCCN(CCc1ccc(OC)cc1)C[C@H]1CCC[NH2+]C1 ZINC000346989565 428397413 /nfs/dbraw/zinc/39/74/13/428397413.db2.gz RVJICUACJBDCRL-SFHVURJKSA-N 1 3 320.477 2.576 20 0 DFADHO COCCC[N@H+](CCc1ccc(OC)cc1)C[C@H]1CCCNC1 ZINC000346989565 428397421 /nfs/dbraw/zinc/39/74/21/428397421.db2.gz RVJICUACJBDCRL-SFHVURJKSA-N 1 3 320.477 2.576 20 0 DFADHO COCCC[N@@H+](CCc1ccc(OC)cc1)C[C@H]1CCCNC1 ZINC000346989565 428397423 /nfs/dbraw/zinc/39/74/23/428397423.db2.gz RVJICUACJBDCRL-SFHVURJKSA-N 1 3 320.477 2.576 20 0 DFADHO Cc1nn(-c2ccccc2)c(C)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763534 428398635 /nfs/dbraw/zinc/39/86/35/428398635.db2.gz CAXHGPWZINTCSS-HDICACEKSA-N 1 3 324.472 2.921 20 0 DFADHO c1nn(Cc2ccccc2)cc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780639 428405223 /nfs/dbraw/zinc/40/52/23/428405223.db2.gz LUKJVLCUHONJQC-VQTJNVASSA-N 1 3 324.472 2.753 20 0 DFADHO c1cn(-c2ccccc2)nc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787738 428410875 /nfs/dbraw/zinc/41/08/75/428410875.db2.gz VXWFQVAMNWDGGE-IAGOWNOFSA-N 1 3 310.445 2.694 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000414792849 428412735 /nfs/dbraw/zinc/41/27/35/428412735.db2.gz SXBBEFJKTCPRQP-MOPGFXCFSA-N 1 3 300.446 2.504 20 0 DFADHO C[C@H](c1ccccc1Cl)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414669071 428371538 /nfs/dbraw/zinc/37/15/38/428371538.db2.gz BEMTXNBNZNYQFL-ZIAGYGMSSA-N 1 3 323.868 2.530 20 0 DFADHO C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414669071 428371540 /nfs/dbraw/zinc/37/15/40/428371540.db2.gz BEMTXNBNZNYQFL-ZIAGYGMSSA-N 1 3 323.868 2.530 20 0 DFADHO CC(C)[NH+](CCN(C)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)C(C)C ZINC000357048312 428371885 /nfs/dbraw/zinc/37/18/85/428371885.db2.gz CTPYNXKVBBRWTE-BBWFWOEESA-N 1 3 311.514 2.825 20 0 DFADHO CC[C@@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000353077206 428376474 /nfs/dbraw/zinc/37/64/74/428376474.db2.gz DTENEAAGQDZDHK-SFHVURJKSA-N 1 3 319.493 2.732 20 0 DFADHO C[C@@H]1C[C@H](CN2CCCC[C@H]2c2nnc3n2CCCC3)CC[NH2+]1 ZINC000414690481 428376411 /nfs/dbraw/zinc/37/64/11/428376411.db2.gz IDXSDSILHSAVJW-OAGGEKHMSA-N 1 3 317.481 2.530 20 0 DFADHO Cc1ccccc1CN1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414684451 428377393 /nfs/dbraw/zinc/37/73/93/428377393.db2.gz VSHXEXCOUJJUMX-ROUUACIJSA-N 1 3 301.478 2.501 20 0 DFADHO CC(C)[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414688521 428377491 /nfs/dbraw/zinc/37/74/91/428377491.db2.gz DRDYLJGNVNKWLP-APWZRJJASA-N 1 3 317.477 2.513 20 0 DFADHO CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414688521 428377494 /nfs/dbraw/zinc/37/74/94/428377494.db2.gz DRDYLJGNVNKWLP-APWZRJJASA-N 1 3 317.477 2.513 20 0 DFADHO C[C@@H]1C[N@H+](CCCCC(F)(F)F)CC[C@@H]1N1CCN(C)CC1 ZINC000371301051 428383098 /nfs/dbraw/zinc/38/30/98/428383098.db2.gz CWZANTKCSRPXML-CABCVRRESA-N 1 3 321.431 2.677 20 0 DFADHO C[C@@H]1C[N@@H+](CCCCC(F)(F)F)CC[C@@H]1N1CCN(C)CC1 ZINC000371301051 428383103 /nfs/dbraw/zinc/38/31/03/428383103.db2.gz CWZANTKCSRPXML-CABCVRRESA-N 1 3 321.431 2.677 20 0 DFADHO C[C@@H]1CN(CCCCC(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371301051 428383108 /nfs/dbraw/zinc/38/31/08/428383108.db2.gz CWZANTKCSRPXML-CABCVRRESA-N 1 3 321.431 2.677 20 0 DFADHO CCN(CC)C(=O)CCC1CC[NH+](C[C@H](N)CC(C)C)CC1 ZINC000414713355 428384093 /nfs/dbraw/zinc/38/40/93/428384093.db2.gz OYOJEQCNRCXPCD-QGZVFWFLSA-N 1 3 311.514 2.720 20 0 DFADHO Cc1cn[nH]c1CN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000414733501 428387247 /nfs/dbraw/zinc/38/72/47/428387247.db2.gz JKVONYJLRMKHGL-HKUYNNGSSA-N 1 3 312.461 2.890 20 0 DFADHO Oc1ccc(Br)c(CNCC[C@@H]2CCC[NH2+]C2)c1 ZINC000414857021 428434829 /nfs/dbraw/zinc/43/48/29/428434829.db2.gz ZMQGXYFNQUVBJT-NSHDSACASA-N 1 3 313.239 2.634 20 0 DFADHO Clc1ccccc1CN1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC000414861088 428436157 /nfs/dbraw/zinc/43/61/57/428436157.db2.gz DXHOYUGFHZPUAY-MRXNPFEDSA-N 1 3 307.869 2.646 20 0 DFADHO CC(=O)Nc1ccccc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347086908 428438680 /nfs/dbraw/zinc/43/86/80/428438680.db2.gz CXKGDCIVZITBDH-KRWDZBQOSA-N 1 3 301.434 2.609 20 0 DFADHO N[C@H](C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC1 ZINC000414883898 428443931 /nfs/dbraw/zinc/44/39/31/428443931.db2.gz DWBZDMXLEFZHTD-CQSZACIVSA-N 1 3 324.350 2.718 20 0 DFADHO Cc1ccc(CNC[C@@]2(C)CCC[NH2+]C2)c(-c2cnn(C)c2)c1 ZINC000414901332 428448734 /nfs/dbraw/zinc/44/87/34/428448734.db2.gz FVVFGXRILUHXBN-IBGZPJMESA-N 1 3 312.461 2.875 20 0 DFADHO Cc1ccc(C[NH2+]C[C@@]2(C)CCCNC2)c(-c2cnn(C)c2)c1 ZINC000414901332 428448741 /nfs/dbraw/zinc/44/87/41/428448741.db2.gz FVVFGXRILUHXBN-IBGZPJMESA-N 1 3 312.461 2.875 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414906555 428452059 /nfs/dbraw/zinc/45/20/59/428452059.db2.gz MGXNWSSVSXUQCS-DYVFJYSZSA-N 1 3 307.413 2.522 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414906555 428452062 /nfs/dbraw/zinc/45/20/62/428452062.db2.gz MGXNWSSVSXUQCS-DYVFJYSZSA-N 1 3 307.413 2.522 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414902212 428452740 /nfs/dbraw/zinc/45/27/40/428452740.db2.gz GWDDRAPWMQJBNM-BEFAXECRSA-N 1 3 317.477 2.945 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414902212 428452744 /nfs/dbraw/zinc/45/27/44/428452744.db2.gz GWDDRAPWMQJBNM-BEFAXECRSA-N 1 3 317.477 2.945 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H]1CC[NH2+]C1 ZINC000414917021 428457560 /nfs/dbraw/zinc/45/75/60/428457560.db2.gz QUVCRQNXZVSAIC-STQMWFEESA-N 1 3 309.841 2.565 20 0 DFADHO C[C@@H]1CCNC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000414925369 428459258 /nfs/dbraw/zinc/45/92/58/428459258.db2.gz JMYCNDSUAAGHTJ-FPAYPSAMSA-N 1 3 301.478 2.627 20 0 DFADHO COc1cc(C)c(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)n1 ZINC000347136123 428463583 /nfs/dbraw/zinc/46/35/83/428463583.db2.gz UABUPNOKSUQEKC-KRWDZBQOSA-N 1 3 303.450 2.671 20 0 DFADHO CN(C(=O)CCC(C)(C)[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388557238 428464596 /nfs/dbraw/zinc/46/45/96/428464596.db2.gz YJXTYJLCTQRYTF-KRWDZBQOSA-N 1 3 317.477 2.627 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000388063073 428466377 /nfs/dbraw/zinc/46/63/77/428466377.db2.gz MLVKLFOINZDWMO-WBVHZDCISA-N 1 3 303.450 2.842 20 0 DFADHO FC(F)CN1CCC([NH2+]CCNC2CCCCCC2)CC1 ZINC000414797798 428415531 /nfs/dbraw/zinc/41/55/31/428415531.db2.gz BOGDSPDQGMQMFU-UHFFFAOYSA-N 1 3 303.441 2.618 20 0 DFADHO COc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)cc2c1OCO2 ZINC000414802480 428416509 /nfs/dbraw/zinc/41/65/09/428416509.db2.gz BRFADLVMZTZEAB-LBPRGKRZSA-N 1 3 314.385 2.733 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C[C@@H]2C)c(C)c1 ZINC000414948157 428469746 /nfs/dbraw/zinc/46/97/46/428469746.db2.gz XUCWMYLCZWUFPS-ZOBUZTSGSA-N 1 3 303.450 2.608 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)c(C)c1 ZINC000414948157 428469750 /nfs/dbraw/zinc/46/97/50/428469750.db2.gz XUCWMYLCZWUFPS-ZOBUZTSGSA-N 1 3 303.450 2.608 20 0 DFADHO [NH3+]C[C@H](NC1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000414813347 428422312 /nfs/dbraw/zinc/42/23/12/428422312.db2.gz YFEJZPFCZBAMGT-KRWDZBQOSA-N 1 3 307.869 2.631 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])CC(C)C)c1C ZINC000414832925 428426914 /nfs/dbraw/zinc/42/69/14/428426914.db2.gz FGCUEVNSCYGYAA-ZBFHGGJFSA-N 1 3 305.466 2.984 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NC[C@H]2CCC[NH2+]C2)c1C ZINC000414841044 428429046 /nfs/dbraw/zinc/42/90/46/428429046.db2.gz YUCBOFGDNFDRBR-ZBFHGGJFSA-N 1 3 303.450 2.610 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCNC2)c1C ZINC000414841044 428429054 /nfs/dbraw/zinc/42/90/54/428429054.db2.gz YUCBOFGDNFDRBR-ZBFHGGJFSA-N 1 3 303.450 2.610 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414844440 428429181 /nfs/dbraw/zinc/42/91/81/428429181.db2.gz RJDXRSUSSAOSSO-QWHCGFSZSA-N 1 3 311.857 2.811 20 0 DFADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCCC2)c1 ZINC000414841218 428430355 /nfs/dbraw/zinc/43/03/55/428430355.db2.gz LDZDFLMLHQHYLP-AWEZNQCLSA-N 1 3 319.449 2.664 20 0 DFADHO CCc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000372334173 428430736 /nfs/dbraw/zinc/43/07/36/428430736.db2.gz TVSYOUVXNOUURR-PXNSSMCTSA-N 1 3 315.505 2.707 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CNCCC3(F)F)CC2)C1 ZINC000414991131 428483706 /nfs/dbraw/zinc/48/37/06/428483706.db2.gz AJUAGSUUMYUDCJ-BMFZPTHFSA-N 1 3 315.452 2.616 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000360897335 428483753 /nfs/dbraw/zinc/48/37/53/428483753.db2.gz MAYSDQYRWKIVCX-DLBZAZTESA-N 1 3 304.478 2.642 20 0 DFADHO CC(C)N1CCc2nc(CNC[C@H]3CCC[C@H]([NH3+])C3)sc2C1 ZINC000415002331 428485974 /nfs/dbraw/zinc/48/59/74/428485974.db2.gz MBUBKHUVTGAQRK-KBPBESRZSA-N 1 3 322.522 2.517 20 0 DFADHO Fc1ccc2nc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)sc2c1 ZINC000415004321 428486316 /nfs/dbraw/zinc/48/63/16/428486316.db2.gz HNTUTAJYUMYJQE-GXTWGEPZSA-N 1 3 305.422 2.913 20 0 DFADHO Cn1c2cc(Cl)ccc2nc1CNC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414998171 428486339 /nfs/dbraw/zinc/48/63/39/428486339.db2.gz IAFPZAUJAUTDRE-DGCLKSJQSA-N 1 3 306.841 2.834 20 0 DFADHO Cn1c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)nc2ccc(Cl)cc21 ZINC000415005701 428487584 /nfs/dbraw/zinc/48/75/84/428487584.db2.gz JMEYMKFLDNQNRY-DZGCQCFKSA-N 1 3 318.852 2.704 20 0 DFADHO CC(C)(CCC[NH3+])NCc1cc2c(cc1OC(F)F)OCO2 ZINC000415017218 428490894 /nfs/dbraw/zinc/49/08/94/428490894.db2.gz RNUCEZUTLUHJSD-UHFFFAOYSA-N 1 3 316.348 2.624 20 0 DFADHO C[C@@H]([NH3+])[C@@H](C)NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000415016997 428490958 /nfs/dbraw/zinc/49/09/58/428490958.db2.gz OVQZANBUFWNHQU-VXGBXAGGSA-N 1 3 313.848 2.769 20 0 DFADHO [NH3+]C[C@@H]1CC[C@H](NCc2cc(F)ccc2Br)C1 ZINC000415037897 428495215 /nfs/dbraw/zinc/49/52/15/428495215.db2.gz MTRGKJUQEQTUGM-SKDRFNHKSA-N 1 3 301.203 2.805 20 0 DFADHO C[C@@H]1C[C@H](NC[C@H]2C[NH2+]CCCO2)C[C@@H](c2ccccc2)C1 ZINC000415041577 428497516 /nfs/dbraw/zinc/49/75/16/428497516.db2.gz PMVGKYFICYGNNJ-DSLXNQLJSA-N 1 3 302.462 2.927 20 0 DFADHO C[C@@H](CNC[C@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000415047666 428498160 /nfs/dbraw/zinc/49/81/60/428498160.db2.gz WBFOIDMKKTUUNT-SWLSCSKDSA-N 1 3 316.367 2.777 20 0 DFADHO C[C@@H](C[NH2+]C[C@H]1CNCCCO1)c1ccc(C(F)(F)F)cc1 ZINC000415047666 428498167 /nfs/dbraw/zinc/49/81/67/428498167.db2.gz WBFOIDMKKTUUNT-SWLSCSKDSA-N 1 3 316.367 2.777 20 0 DFADHO O=c1[nH]c2ccccc2cc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415053657 428500718 /nfs/dbraw/zinc/50/07/18/428500718.db2.gz OZCYIRZPEAMJJY-QAPCUYQASA-N 1 3 311.429 2.904 20 0 DFADHO CN(Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCO)CC1 ZINC000353358841 428501251 /nfs/dbraw/zinc/50/12/51/428501251.db2.gz YWKPFDGKLOMSRQ-UHFFFAOYSA-N 1 3 316.367 2.594 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@H](C[NH3+])C1CCCC1 ZINC000415063179 428506045 /nfs/dbraw/zinc/50/60/45/428506045.db2.gz GZGKOGIJJXDKCO-MLGOLLRUSA-N 1 3 307.413 2.650 20 0 DFADHO COc1ccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000415068454 428508789 /nfs/dbraw/zinc/50/87/89/428508789.db2.gz RBJXEBCARVAHSZ-CXAGYDPISA-N 1 3 319.449 2.519 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1C[C@H]1C ZINC000397555550 428511455 /nfs/dbraw/zinc/51/14/55/428511455.db2.gz LGVMNTSVDNHYNC-JFIYKMOQSA-N 1 3 302.462 2.648 20 0 DFADHO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000415082909 428511620 /nfs/dbraw/zinc/51/16/20/428511620.db2.gz PAQBRQUYNQYJLM-QRVBRYPASA-N 1 3 301.478 2.944 20 0 DFADHO CC(C)n1cnnc1[C@H]1CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000357392414 428511920 /nfs/dbraw/zinc/51/19/20/428511920.db2.gz SWONOUOJXWTPAW-JKSUJKDBSA-N 1 3 305.470 2.523 20 0 DFADHO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000357392414 428511925 /nfs/dbraw/zinc/51/19/25/428511925.db2.gz SWONOUOJXWTPAW-JKSUJKDBSA-N 1 3 305.470 2.523 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN[C@@H]1C ZINC000398113429 428516868 /nfs/dbraw/zinc/51/68/68/428516868.db2.gz DVDTXPIMNNXKQT-FPAYPSAMSA-N 1 3 301.478 2.627 20 0 DFADHO C[C@@H](NC1CCN(Cc2ccc(F)c(F)c2)CC1)[C@H]1CC[NH2+]C1 ZINC000415096322 428518914 /nfs/dbraw/zinc/51/89/14/428518914.db2.gz BCUKMLXXQQMNFW-HIFRSBDPSA-N 1 3 323.431 2.517 20 0 DFADHO Cc1nn(C)c(C)c1C[C@H](C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415113812 428524244 /nfs/dbraw/zinc/52/42/44/428524244.db2.gz SQRVFNXRVMCMFX-KEYYUXOJSA-N 1 3 306.498 2.868 20 0 DFADHO CSc1ccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415126986 428529824 /nfs/dbraw/zinc/52/98/24/428529824.db2.gz HNFGFKLNISGNHA-SJORKVTESA-N 1 3 318.486 2.609 20 0 DFADHO CC(C)CC[NH+]1CCC(CN[C@H](C)c2ccc(=O)[nH]n2)CC1 ZINC000353531497 428581232 /nfs/dbraw/zinc/58/12/32/428581232.db2.gz VJDNUJFTLNHETK-CQSZACIVSA-N 1 3 306.454 2.591 20 0 DFADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)C1(C(=O)OC)CCC1 ZINC000353542949 428586365 /nfs/dbraw/zinc/58/63/65/428586365.db2.gz NXLZRJDDIVEDEA-HZPDHXFCSA-N 1 3 310.482 2.818 20 0 DFADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CN1 ZINC000399115724 428534668 /nfs/dbraw/zinc/53/46/68/428534668.db2.gz FWTQJHOOSFBEIN-ZAWLATJESA-N 1 3 301.478 2.627 20 0 DFADHO Cc1ccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000415136690 428535980 /nfs/dbraw/zinc/53/59/80/428535980.db2.gz XOKDXIMLMLJIDM-DOTOQJQBSA-N 1 3 312.461 2.812 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000353438782 428536448 /nfs/dbraw/zinc/53/64/48/428536448.db2.gz VULKAKCOXXNUQI-AKHDSKFASA-N 1 3 301.478 2.752 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000353438782 428536452 /nfs/dbraw/zinc/53/64/52/428536452.db2.gz VULKAKCOXXNUQI-AKHDSKFASA-N 1 3 301.478 2.752 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000353438782 428536456 /nfs/dbraw/zinc/53/64/56/428536456.db2.gz VULKAKCOXXNUQI-AKHDSKFASA-N 1 3 301.478 2.752 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c1ccccc1 ZINC000399403692 428539966 /nfs/dbraw/zinc/53/99/66/428539966.db2.gz XDGPPGXFYNQQGK-KBAYOESNSA-N 1 3 319.493 2.805 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353451537 428542043 /nfs/dbraw/zinc/54/20/43/428542043.db2.gz AGXSRLSDUHYKGL-VNTMZGSJSA-N 1 3 315.505 2.622 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353451537 428542045 /nfs/dbraw/zinc/54/20/45/428542045.db2.gz AGXSRLSDUHYKGL-VNTMZGSJSA-N 1 3 315.505 2.622 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353451537 428542046 /nfs/dbraw/zinc/54/20/46/428542046.db2.gz AGXSRLSDUHYKGL-VNTMZGSJSA-N 1 3 315.505 2.622 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400502407 428545269 /nfs/dbraw/zinc/54/52/69/428545269.db2.gz IXGXWBJMQPWEBR-YRGRVCCFSA-N 1 3 311.267 2.968 20 0 DFADHO C[C@H](CC[NH+](C)C)N[C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400467584 428545930 /nfs/dbraw/zinc/54/59/30/428545930.db2.gz WQBDYFZCKTZTKX-RBSFLKMASA-N 1 3 313.486 2.704 20 0 DFADHO C[C@H](NC[C@]1(C)CCCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400442862 428546045 /nfs/dbraw/zinc/54/60/45/428546045.db2.gz ORTZYHYOGOKLQT-WDSOQIARSA-N 1 3 301.478 2.629 20 0 DFADHO CN(CCCO)C1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000353473470 428552931 /nfs/dbraw/zinc/55/29/31/428552931.db2.gz RYFGDTUHFMUVNI-MJGOQNOKSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@H](c1cnccn1)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000373352344 428554536 /nfs/dbraw/zinc/55/45/36/428554536.db2.gz DVHHIXIMXIPERB-HUUCEWRRSA-N 1 3 300.450 2.734 20 0 DFADHO C[C@H](c1cnccn1)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000373352344 428554544 /nfs/dbraw/zinc/55/45/44/428554544.db2.gz DVHHIXIMXIPERB-HUUCEWRRSA-N 1 3 300.450 2.734 20 0 DFADHO CC(C)N(C)CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000361328773 428557945 /nfs/dbraw/zinc/55/79/45/428557945.db2.gz QYKBXJYYPFGGOB-HKUYNNGSSA-N 1 3 303.494 2.969 20 0 DFADHO CCOC(C[N@H+](C)CC1CCN(c2ccncc2)CC1)OCC ZINC000373362787 428558445 /nfs/dbraw/zinc/55/84/45/428558445.db2.gz OUDCWNNJPYQSEF-UHFFFAOYSA-N 1 3 321.465 2.629 20 0 DFADHO CCOC(C[N@@H+](C)CC1CCN(c2ccncc2)CC1)OCC ZINC000373362787 428558450 /nfs/dbraw/zinc/55/84/50/428558450.db2.gz OUDCWNNJPYQSEF-UHFFFAOYSA-N 1 3 321.465 2.629 20 0 DFADHO COc1cc(C)c(CN2CCC[C@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000404365827 428568062 /nfs/dbraw/zinc/56/80/62/428568062.db2.gz HFSYXSWCEBVHKL-BBRMVZONSA-N 1 3 306.450 2.962 20 0 DFADHO CCOc1ccccc1OCCN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404399313 428569136 /nfs/dbraw/zinc/56/91/36/428569136.db2.gz QBKXFLBRISRFQU-JKSUJKDBSA-N 1 3 306.450 2.913 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)N(C)Cc1ccccc1 ZINC000353518012 428572243 /nfs/dbraw/zinc/57/22/43/428572243.db2.gz KAUQKPVGJZXJIS-VBSBHUPXSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)N(C)Cc1ccccc1 ZINC000353518012 428572246 /nfs/dbraw/zinc/57/22/46/428572246.db2.gz KAUQKPVGJZXJIS-VBSBHUPXSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)N(C)Cc1ccccc1 ZINC000353518012 428572250 /nfs/dbraw/zinc/57/22/50/428572250.db2.gz KAUQKPVGJZXJIS-VBSBHUPXSA-N 1 3 315.505 2.969 20 0 DFADHO COCCNc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000353513132 428572582 /nfs/dbraw/zinc/57/25/82/428572582.db2.gz FBEQMRSVUYKSTK-QRVBRYPASA-N 1 3 317.477 2.707 20 0 DFADHO COCCNc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000353513132 428572587 /nfs/dbraw/zinc/57/25/87/428572587.db2.gz FBEQMRSVUYKSTK-QRVBRYPASA-N 1 3 317.477 2.707 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2cccc(-n3ccnc3)c2)[C@@H]2CCC[C@H]21 ZINC000353521582 428576282 /nfs/dbraw/zinc/57/62/82/428576282.db2.gz QFJBQZPJWJNYTJ-GBESFXJTSA-N 1 3 310.445 2.835 20 0 DFADHO C[N@H+]1CC[C@H](NCc2cccc(-n3ccnc3)c2)[C@@H]2CCC[C@H]21 ZINC000353521582 428576289 /nfs/dbraw/zinc/57/62/89/428576289.db2.gz QFJBQZPJWJNYTJ-GBESFXJTSA-N 1 3 310.445 2.835 20 0 DFADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000361970014 428606962 /nfs/dbraw/zinc/60/69/62/428606962.db2.gz FEASUMZQBDYZOG-MTNOOBJLSA-N 1 3 315.505 2.683 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415900562 428619986 /nfs/dbraw/zinc/61/99/86/428619986.db2.gz UBIBYENDJACOBP-AWEZNQCLSA-N 1 3 318.465 2.574 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415900562 428619992 /nfs/dbraw/zinc/61/99/92/428619992.db2.gz UBIBYENDJACOBP-AWEZNQCLSA-N 1 3 318.465 2.574 20 0 DFADHO C[C@@H](Cc1cnccn1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000358660465 428622413 /nfs/dbraw/zinc/62/24/13/428622413.db2.gz GKRHLJGYUFBWJJ-HNNXBMFYSA-N 1 3 302.466 2.794 20 0 DFADHO C[C@@H](Cc1cnccn1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000358660465 428622421 /nfs/dbraw/zinc/62/24/21/428622421.db2.gz GKRHLJGYUFBWJJ-HNNXBMFYSA-N 1 3 302.466 2.794 20 0 DFADHO CNCc1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000415924958 428629592 /nfs/dbraw/zinc/62/95/92/428629592.db2.gz ZHMOUMWIPHQVCB-OAHLLOKOSA-N 1 3 318.465 2.650 20 0 DFADHO Cc1ncc(CN2CC[C@@H](Nc3cc[nH+]cc3C)[C@H](C)C2)s1 ZINC000373517494 428595374 /nfs/dbraw/zinc/59/53/74/428595374.db2.gz DALYNJZZLYKKDR-CXAGYDPISA-N 1 3 316.474 2.899 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CC2CCN(C)CC2)C1 ZINC000347521243 428595807 /nfs/dbraw/zinc/59/58/07/428595807.db2.gz LGTBGLYIHVEYLQ-CALCHBBNSA-N 1 3 323.525 2.593 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CC2CCN(C)CC2)C1 ZINC000347521243 428595811 /nfs/dbraw/zinc/59/58/11/428595811.db2.gz LGTBGLYIHVEYLQ-CALCHBBNSA-N 1 3 323.525 2.593 20 0 DFADHO COCC[C@H](COC)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353642426 428636699 /nfs/dbraw/zinc/63/66/99/428636699.db2.gz LMRBAWNAFDSOHJ-QXAKKESOSA-N 1 3 320.477 2.538 20 0 DFADHO COCC[C@H](COC)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353642426 428636702 /nfs/dbraw/zinc/63/67/02/428636702.db2.gz LMRBAWNAFDSOHJ-QXAKKESOSA-N 1 3 320.477 2.538 20 0 DFADHO C[NH2+]Cc1cccc(NC(=O)NC[C@H]2N(C)CCCC2(C)C)c1 ZINC000415958645 428635776 /nfs/dbraw/zinc/63/57/76/428635776.db2.gz LXSDDJVIUCBZAL-MRXNPFEDSA-N 1 3 318.465 2.648 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000415994248 428644277 /nfs/dbraw/zinc/64/42/77/428644277.db2.gz HPEINUZDKUSHFA-UHFFFAOYSA-N 1 3 316.449 2.676 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000353658297 428645109 /nfs/dbraw/zinc/64/51/09/428645109.db2.gz KWLVRWFZNKVSEM-NJAFHUGGSA-N 1 3 324.472 2.767 20 0 DFADHO C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000416022808 428651536 /nfs/dbraw/zinc/65/15/36/428651536.db2.gz ZJSXFVDMPYEURK-INIZCTEOSA-N 1 3 318.465 2.648 20 0 DFADHO CCC[NH+]1CCC(NC[C@H](CO)c2ccccc2Cl)CC1 ZINC000348321255 428707170 /nfs/dbraw/zinc/70/71/70/428707170.db2.gz MNWZSWXVUWWEEB-CQSZACIVSA-N 1 3 310.869 2.880 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CC4=CCCOC4)[C@@H]3C2)cc1 ZINC000374605485 428709934 /nfs/dbraw/zinc/70/99/34/428709934.db2.gz PGAXWZXMADZFIO-XUVXKRRUSA-N 1 3 312.457 2.833 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCC4=CCCOC4)[C@@H]3C2)cc1 ZINC000374605485 428709937 /nfs/dbraw/zinc/70/99/37/428709937.db2.gz PGAXWZXMADZFIO-XUVXKRRUSA-N 1 3 312.457 2.833 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCC4=CCCOC4)[C@@H]3C2)cc1 ZINC000374605485 428709944 /nfs/dbraw/zinc/70/99/44/428709944.db2.gz PGAXWZXMADZFIO-XUVXKRRUSA-N 1 3 312.457 2.833 20 0 DFADHO CCn1cc(CCN[C@@H]2CCCC[C@H]2C[NH+](CC)CC)cn1 ZINC000348359998 428718299 /nfs/dbraw/zinc/71/82/99/428718299.db2.gz BKYFQQRDTBJNIJ-ZWKOTPCHSA-N 1 3 306.498 2.936 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCc1cnn(CC)c1 ZINC000348359998 428718302 /nfs/dbraw/zinc/71/83/02/428718302.db2.gz BKYFQQRDTBJNIJ-ZWKOTPCHSA-N 1 3 306.498 2.936 20 0 DFADHO C[C@H](CC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)N1CCCCC1 ZINC000348362445 428721768 /nfs/dbraw/zinc/72/17/68/428721768.db2.gz AFADGZYMDYXKIV-MGPQQGTHSA-N 1 3 308.388 2.950 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](CO)c1ccccc1Cl ZINC000348383610 428729292 /nfs/dbraw/zinc/72/92/92/428729292.db2.gz DPDBMTQPTKYBLP-WVZRYYJFSA-N 1 3 310.869 2.734 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](CO)c1ccccc1Cl ZINC000348383610 428729297 /nfs/dbraw/zinc/72/92/97/428729297.db2.gz DPDBMTQPTKYBLP-WVZRYYJFSA-N 1 3 310.869 2.734 20 0 DFADHO CCN1CCCC[C@@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416163549 428680512 /nfs/dbraw/zinc/68/05/12/428680512.db2.gz YFPXUXRXKQLWHU-QZTJIDSGSA-N 1 3 317.477 2.670 20 0 DFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CCCCCn2cccn2)C1 ZINC000348264920 428685416 /nfs/dbraw/zinc/68/54/16/428685416.db2.gz BXEOIMNNQYYPAU-SFHVURJKSA-N 1 3 304.482 2.717 20 0 DFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCCCCn2cccn2)C1 ZINC000348264920 428685421 /nfs/dbraw/zinc/68/54/21/428685421.db2.gz BXEOIMNNQYYPAU-SFHVURJKSA-N 1 3 304.482 2.717 20 0 DFADHO CN(CC1CC1)C[C@@H]1CC[N@H+](CCCCCn2cccn2)C1 ZINC000348264920 428685424 /nfs/dbraw/zinc/68/54/24/428685424.db2.gz BXEOIMNNQYYPAU-SFHVURJKSA-N 1 3 304.482 2.717 20 0 DFADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CCCCCn2cccn2)C1 ZINC000348264920 428685429 /nfs/dbraw/zinc/68/54/29/428685429.db2.gz BXEOIMNNQYYPAU-SFHVURJKSA-N 1 3 304.482 2.717 20 0 DFADHO CC(C)(C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)CN1CCCC1 ZINC000348273675 428689929 /nfs/dbraw/zinc/68/99/29/428689929.db2.gz AUANRQANXAMCNA-QWHCGFSZSA-N 1 3 308.388 2.808 20 0 DFADHO COCCCOc1ccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000353869352 428756308 /nfs/dbraw/zinc/75/63/08/428756308.db2.gz QRGWDSXPMZWRRE-CRAIPNDOSA-N 1 3 306.450 2.532 20 0 DFADHO COCCCOc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000353869352 428756313 /nfs/dbraw/zinc/75/63/13/428756313.db2.gz QRGWDSXPMZWRRE-CRAIPNDOSA-N 1 3 306.450 2.532 20 0 DFADHO COCCCOc1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000353869365 428756636 /nfs/dbraw/zinc/75/66/36/428756636.db2.gz QRGWDSXPMZWRRE-YJBOKZPZSA-N 1 3 306.450 2.532 20 0 DFADHO COCCCOc1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000353869365 428756640 /nfs/dbraw/zinc/75/66/40/428756640.db2.gz QRGWDSXPMZWRRE-YJBOKZPZSA-N 1 3 306.450 2.532 20 0 DFADHO CC[NH+](CC)CCOC1CCN(CCc2cncs2)CC1 ZINC000411293258 428774199 /nfs/dbraw/zinc/77/41/99/428774199.db2.gz AEKZRZLNMZSCLV-UHFFFAOYSA-N 1 3 311.495 2.508 20 0 DFADHO OCC[C@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411309124 428776548 /nfs/dbraw/zinc/77/65/48/428776548.db2.gz JBXJDNURTMQLSR-QGZVFWFLSA-N 1 3 302.462 2.877 20 0 DFADHO OCC[C@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411309124 428776554 /nfs/dbraw/zinc/77/65/54/428776554.db2.gz JBXJDNURTMQLSR-QGZVFWFLSA-N 1 3 302.462 2.877 20 0 DFADHO CC[C@@H]1C[N@H+](Cc2cccc(CN3CCCCC3)c2)C[C@@H]1O ZINC000411424745 428793509 /nfs/dbraw/zinc/79/35/09/428793509.db2.gz NQEVYSYXPWYKJI-MOPGFXCFSA-N 1 3 302.462 2.875 20 0 DFADHO CC[C@@H]1C[N@@H+](Cc2cccc(CN3CCCCC3)c2)C[C@@H]1O ZINC000411424745 428793513 /nfs/dbraw/zinc/79/35/13/428793513.db2.gz NQEVYSYXPWYKJI-MOPGFXCFSA-N 1 3 302.462 2.875 20 0 DFADHO CC[C@@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1O ZINC000411424745 428793518 /nfs/dbraw/zinc/79/35/18/428793518.db2.gz NQEVYSYXPWYKJI-MOPGFXCFSA-N 1 3 302.462 2.875 20 0 DFADHO C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000411117651 428743114 /nfs/dbraw/zinc/74/31/14/428743114.db2.gz LXCNHDSDEFIUQB-MJGOQNOKSA-N 1 3 301.478 2.677 20 0 DFADHO C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000411117651 428743117 /nfs/dbraw/zinc/74/31/17/428743117.db2.gz LXCNHDSDEFIUQB-MJGOQNOKSA-N 1 3 301.478 2.677 20 0 DFADHO Cc1ccccc1[C@H](C)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411438105 428796271 /nfs/dbraw/zinc/79/62/71/428796271.db2.gz MIZDWUAGLCOYPD-INIZCTEOSA-N 1 3 317.477 2.635 20 0 DFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CCC1(O)CCC1 ZINC000411427393 428797178 /nfs/dbraw/zinc/79/71/78/428797178.db2.gz IMZTWOFWXFOCSP-UHFFFAOYSA-N 1 3 317.477 2.925 20 0 DFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CCC1(O)CCC1 ZINC000411427393 428797183 /nfs/dbraw/zinc/79/71/83/428797183.db2.gz IMZTWOFWXFOCSP-UHFFFAOYSA-N 1 3 317.477 2.925 20 0 DFADHO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(CN4CCCCC4)c3)C[C@H]12 ZINC000411499584 428805212 /nfs/dbraw/zinc/80/52/12/428805212.db2.gz DERRIAIANLXDQK-HSALFYBXSA-N 1 3 314.473 2.875 20 0 DFADHO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(CN4CCCCC4)c3)C[C@H]12 ZINC000411499584 428805215 /nfs/dbraw/zinc/80/52/15/428805215.db2.gz DERRIAIANLXDQK-HSALFYBXSA-N 1 3 314.473 2.875 20 0 DFADHO CCCNC(=O)CCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000411518631 428812008 /nfs/dbraw/zinc/81/20/08/428812008.db2.gz PVVSJTFJHNAMLV-JKSUJKDBSA-N 1 3 309.498 2.535 20 0 DFADHO CCCCNC(=O)CCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411520633 428812099 /nfs/dbraw/zinc/81/20/99/428812099.db2.gz WJUAIHRATUICRI-JKSUJKDBSA-N 1 3 309.498 2.535 20 0 DFADHO CCCCNC(=O)CCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411520633 428812105 /nfs/dbraw/zinc/81/21/05/428812105.db2.gz WJUAIHRATUICRI-JKSUJKDBSA-N 1 3 309.498 2.535 20 0 DFADHO CCCCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000411520633 428812111 /nfs/dbraw/zinc/81/21/11/428812111.db2.gz WJUAIHRATUICRI-JKSUJKDBSA-N 1 3 309.498 2.535 20 0 DFADHO O[C@@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)CC12CC2 ZINC000411559713 428816195 /nfs/dbraw/zinc/81/61/95/428816195.db2.gz APLDJIIWDRPNEH-GOSISDBHSA-N 1 3 300.446 2.629 20 0 DFADHO CCCNC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359116190 428825235 /nfs/dbraw/zinc/82/52/35/428825235.db2.gz PNUKCBOIGRGMPU-SJLPKXTDSA-N 1 3 317.477 2.545 20 0 DFADHO CCCNC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359116190 428825240 /nfs/dbraw/zinc/82/52/40/428825240.db2.gz PNUKCBOIGRGMPU-SJLPKXTDSA-N 1 3 317.477 2.545 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000375229830 428826828 /nfs/dbraw/zinc/82/68/28/428826828.db2.gz POYJSAVQOQAWHL-LPHOPBHVSA-N 1 3 310.445 2.707 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000375229830 428826833 /nfs/dbraw/zinc/82/68/33/428826833.db2.gz POYJSAVQOQAWHL-LPHOPBHVSA-N 1 3 310.445 2.707 20 0 DFADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000354198056 428909669 /nfs/dbraw/zinc/90/96/69/428909669.db2.gz CTIGQMBSJRGYOV-KRWDZBQOSA-N 1 3 316.493 2.762 20 0 DFADHO C[C@H]1C[C@@H](O)CN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411877065 428874214 /nfs/dbraw/zinc/87/42/14/428874214.db2.gz QFSAQXXRKDBYHR-QFBILLFUSA-N 1 3 302.462 2.875 20 0 DFADHO C[N@@H+]1CCC[C@@H](N2CCN(CCCCc3ccccc3)CC2)C1 ZINC000375401686 428875294 /nfs/dbraw/zinc/87/52/94/428875294.db2.gz HKXYVPRAOKIIMS-HXUWFJFHSA-N 1 3 315.505 2.721 20 0 DFADHO C[N@H+]1CCC[C@@H](N2CCN(CCCCc3ccccc3)CC2)C1 ZINC000375401686 428875303 /nfs/dbraw/zinc/87/53/03/428875303.db2.gz HKXYVPRAOKIIMS-HXUWFJFHSA-N 1 3 315.505 2.721 20 0 DFADHO CCC[C@@H](C[N@@H+]1CC[C@@H](N2CCNCC2)C1)c1ccccc1 ZINC000348973667 428890596 /nfs/dbraw/zinc/89/05/96/428890596.db2.gz IJHYRTRJGSWERY-RBUKOAKNSA-N 1 3 301.478 2.550 20 0 DFADHO CCC[C@@H](C[N@H+]1CC[C@@H](N2CCNCC2)C1)c1ccccc1 ZINC000348973667 428890601 /nfs/dbraw/zinc/89/06/01/428890601.db2.gz IJHYRTRJGSWERY-RBUKOAKNSA-N 1 3 301.478 2.550 20 0 DFADHO OC[C@@]1(Cc2ccccc2)CCCN1CCC[NH+]1CCCC1 ZINC000375470846 428892927 /nfs/dbraw/zinc/89/29/27/428892927.db2.gz QRSNWZYKARHHTQ-IBGZPJMESA-N 1 3 302.462 2.542 20 0 DFADHO COC(=O)CCCNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375479364 428893918 /nfs/dbraw/zinc/89/39/18/428893918.db2.gz AOCSDRJOQHFYOT-SJLPKXTDSA-N 1 3 304.434 2.612 20 0 DFADHO COC(=O)CCCNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375479364 428893924 /nfs/dbraw/zinc/89/39/24/428893924.db2.gz AOCSDRJOQHFYOT-SJLPKXTDSA-N 1 3 304.434 2.612 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(Cl)o1 ZINC000349077878 428914598 /nfs/dbraw/zinc/91/45/98/428914598.db2.gz QPBXBXFGIJSGIG-AWEZNQCLSA-N 1 3 313.873 2.781 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(Cl)o1 ZINC000349077878 428914603 /nfs/dbraw/zinc/91/46/03/428914603.db2.gz QPBXBXFGIJSGIG-AWEZNQCLSA-N 1 3 313.873 2.781 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000359321730 428918643 /nfs/dbraw/zinc/91/86/43/428918643.db2.gz LRBZRUOUFIFGSC-SFHVURJKSA-N 1 3 302.462 2.964 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2)C[C@H]1C ZINC000354212005 428918958 /nfs/dbraw/zinc/91/89/58/428918958.db2.gz ZBHBPSCQTJEIRJ-NVXWUHKLSA-N 1 3 303.450 2.820 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2)C[C@H]1C ZINC000354212005 428918960 /nfs/dbraw/zinc/91/89/60/428918960.db2.gz ZBHBPSCQTJEIRJ-NVXWUHKLSA-N 1 3 303.450 2.820 20 0 DFADHO CC(C)c1nccn1C[C@H]1CCCN1CC[C@H]1CCC[N@@H+]1C ZINC000363480352 428925359 /nfs/dbraw/zinc/92/53/59/428925359.db2.gz XIZSPMWSTLYNSC-IAGOWNOFSA-N 1 3 304.482 2.955 20 0 DFADHO CC(C)c1nccn1C[C@H]1CCCN1CC[C@H]1CCC[N@H+]1C ZINC000363480352 428925363 /nfs/dbraw/zinc/92/53/63/428925363.db2.gz XIZSPMWSTLYNSC-IAGOWNOFSA-N 1 3 304.482 2.955 20 0 DFADHO COc1cc(C)nc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000349190183 428936191 /nfs/dbraw/zinc/93/61/91/428936191.db2.gz MNXIWKLWGRZYDD-MRXNPFEDSA-N 1 3 303.450 2.562 20 0 DFADHO Cc1cc([C@H]([NH2+]C[C@H](O)CN2CCCC2)C2CC2)ccc1F ZINC000359376086 428945275 /nfs/dbraw/zinc/94/52/75/428945275.db2.gz UCJNQIDNTGTPIT-FUHWJXTLSA-N 1 3 306.425 2.632 20 0 DFADHO Cc1cc(F)ccc1[C@@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000363589142 428947835 /nfs/dbraw/zinc/94/78/35/428947835.db2.gz KQSOJHRWVFDTCC-IBGZPJMESA-N 1 3 320.452 2.975 20 0 DFADHO Nc1cc(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000420314870 428957660 /nfs/dbraw/zinc/95/76/60/428957660.db2.gz RBMWCIZJXSZDAL-MOPGFXCFSA-N 1 3 324.472 2.836 20 0 DFADHO C[C@H](CC[NH+](C)C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412149169 428964909 /nfs/dbraw/zinc/96/49/09/428964909.db2.gz QALXUMARAIEEIE-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C1CCOCC1 ZINC000354331579 428972458 /nfs/dbraw/zinc/97/24/58/428972458.db2.gz DTMICWLYORKNJP-MRXNPFEDSA-N 1 3 320.477 2.574 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000423778312 429016219 /nfs/dbraw/zinc/01/62/19/429016219.db2.gz CRNPVEBUSMHQTQ-NVXWUHKLSA-N 1 3 303.450 2.903 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000375928518 429019072 /nfs/dbraw/zinc/01/90/72/429019072.db2.gz AYRPXOWDDFYDGP-GOSISDBHSA-N 1 3 321.509 2.773 20 0 DFADHO CCN(CCC[NH+](C)C)C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423798508 429023131 /nfs/dbraw/zinc/02/31/31/429023131.db2.gz PTCPBOSARWMHRM-MRXNPFEDSA-N 1 3 305.466 2.513 20 0 DFADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCCc3n[nH]cc32)c1 ZINC000375788458 428972991 /nfs/dbraw/zinc/97/29/91/428972991.db2.gz ITAJRKWCVVDNKQ-KRWDZBQOSA-N 1 3 314.433 2.517 20 0 DFADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000423579894 428974450 /nfs/dbraw/zinc/97/44/50/428974450.db2.gz WVFURDQEOJAFDM-QGZVFWFLSA-N 1 3 324.472 2.726 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc3c(c2)OCCCO3)[C@@H]2CCC[C@@H]21 ZINC000375808461 428982297 /nfs/dbraw/zinc/98/22/97/428982297.db2.gz RVPOXBPLWWENDI-ULQDDVLXSA-N 1 3 316.445 2.810 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc3c(c2)OCCCO3)[C@@H]2CCC[C@@H]21 ZINC000375808461 428982303 /nfs/dbraw/zinc/98/23/03/428982303.db2.gz RVPOXBPLWWENDI-ULQDDVLXSA-N 1 3 316.445 2.810 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@@H]2CCC[C@@H]21 ZINC000375808461 428982308 /nfs/dbraw/zinc/98/23/08/428982308.db2.gz RVPOXBPLWWENDI-ULQDDVLXSA-N 1 3 316.445 2.810 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000363779708 428990565 /nfs/dbraw/zinc/99/05/65/428990565.db2.gz AYINQAGQQBVCJL-WRWLIDTKSA-N 1 3 313.489 2.678 20 0 DFADHO [NH3+]CC1(CC(=O)N2CCN(C3CCCCC3)CC2)CCCCC1 ZINC000423716529 429001875 /nfs/dbraw/zinc/00/18/75/429001875.db2.gz XOBYBTCVHRQMOX-UHFFFAOYSA-N 1 3 321.509 2.763 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423718034 429002162 /nfs/dbraw/zinc/00/21/62/429002162.db2.gz ATYULRAKXFLBND-KRWDZBQOSA-N 1 3 317.477 2.702 20 0 DFADHO C[NH+](C)Cc1ccc(CNC(=O)[C@H](N)CC2CCCCC2)cc1 ZINC000423717684 429002583 /nfs/dbraw/zinc/00/25/83/429002583.db2.gz AOOJZQICRYLSKC-GOSISDBHSA-N 1 3 317.477 2.662 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@]1(CC)CCC[NH2+]1 ZINC000423743864 429006750 /nfs/dbraw/zinc/00/67/50/429006750.db2.gz MZQUEKVQTMWVRX-IBGZPJMESA-N 1 3 317.477 2.629 20 0 DFADHO C[C@@]1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCCCN1 ZINC000423770106 429014422 /nfs/dbraw/zinc/01/44/22/429014422.db2.gz HDPSMBDGQCLBDS-IBGZPJMESA-N 1 3 315.461 2.796 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000423448653 429089859 /nfs/dbraw/zinc/08/98/59/429089859.db2.gz VGYZPPURGJFAEO-MSOLQXFVSA-N 1 3 321.509 2.619 20 0 DFADHO C[C@H](CCC[NH3+])N[C@@H](C)c1ncc(Br)cc1F ZINC000423455702 429091261 /nfs/dbraw/zinc/09/12/61/429091261.db2.gz MZTROIYROIXLFH-BDAKNGLRSA-N 1 3 304.207 2.761 20 0 DFADHO C[C@H](Cc1ccc(F)cc1Br)N[C@H](C)[C@H](C)[NH3+] ZINC000423464216 429092384 /nfs/dbraw/zinc/09/23/84/429092384.db2.gz LYDQKCJNZCBSMR-KXUCPTDWSA-N 1 3 303.219 2.845 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cc(C)cc(N)c2)[C@H](C)C1 ZINC000423473378 429095218 /nfs/dbraw/zinc/09/52/18/429095218.db2.gz HCDCIPPECLXVBS-VQIMIIECSA-N 1 3 319.493 2.804 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCc2cc(C)cc(N)c2)[C@H](C)C1 ZINC000423473378 429095223 /nfs/dbraw/zinc/09/52/23/429095223.db2.gz HCDCIPPECLXVBS-VQIMIIECSA-N 1 3 319.493 2.804 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000423847315 429035701 /nfs/dbraw/zinc/03/57/01/429035701.db2.gz PZQOQFPVSBJWPU-SUMDDJOVSA-N 1 3 317.477 2.531 20 0 DFADHO CC1CC[NH+](CCc2cccc(NC(=O)C3(N)CCC3)c2)CC1 ZINC000423858064 429040436 /nfs/dbraw/zinc/04/04/36/429040436.db2.gz ZTKSGASOHADOMX-UHFFFAOYSA-N 1 3 315.461 2.781 20 0 DFADHO CO[C@H]1CCCN(C/C=C/C[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000376066573 429051913 /nfs/dbraw/zinc/05/19/13/429051913.db2.gz ICLZLBCFOLQHQY-ZFRRBFPSSA-N 1 3 310.482 2.544 20 0 DFADHO CO[C@H]1CCCN(C/C=C/C[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000376066573 429051915 /nfs/dbraw/zinc/05/19/15/429051915.db2.gz ICLZLBCFOLQHQY-ZFRRBFPSSA-N 1 3 310.482 2.544 20 0 DFADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(-n3cnnn3)cc2)cc1 ZINC000423291776 429057790 /nfs/dbraw/zinc/05/77/90/429057790.db2.gz JUKRHAAADALSTE-KBPBESRZSA-N 1 3 322.416 2.533 20 0 DFADHO C[C@H](Cc1ccc(F)cc1Br)NCC(C)(C)[NH3+] ZINC000423286700 429058939 /nfs/dbraw/zinc/05/89/39/429058939.db2.gz IHFFAQUYBWFGFK-SECBINFHSA-N 1 3 303.219 2.846 20 0 DFADHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423311069 429060439 /nfs/dbraw/zinc/06/04/39/429060439.db2.gz BHIHDBRSGSIOQL-RBUKOAKNSA-N 1 3 311.429 2.701 20 0 DFADHO CC(C)(C(=O)NCCC[NH+]1CCCCC1)[C@@H](N)c1ccccc1 ZINC000423306618 429061346 /nfs/dbraw/zinc/06/13/46/429061346.db2.gz FDTOLVJBDHRKCO-KRWDZBQOSA-N 1 3 317.477 2.705 20 0 DFADHO N[C@H](C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1)C1CC1 ZINC000423315533 429062327 /nfs/dbraw/zinc/06/23/27/429062327.db2.gz IWTRUQVYSRXNJQ-ZACQAIPSSA-N 1 3 308.853 2.757 20 0 DFADHO COc1cc(F)c([C@@H](C)NCC2(C)CC[NH2+]CC2)cc1OC ZINC000423323615 429064747 /nfs/dbraw/zinc/06/47/47/429064747.db2.gz IGHCRLHKTMVKJW-GFCCVEGCSA-N 1 3 310.413 2.883 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2C[C@@H](C)CCN2)c1 ZINC000423327929 429066267 /nfs/dbraw/zinc/06/62/67/429066267.db2.gz NJAWNRKCFMBGDB-MAUKXSAKSA-N 1 3 317.477 2.533 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CCCNC2)C1 ZINC000423347509 429069935 /nfs/dbraw/zinc/06/99/35/429069935.db2.gz RLPZTYRQRQJSOX-XYJFISCASA-N 1 3 310.482 2.868 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]CC2(N)CCC2)cc1Br ZINC000423343227 429070309 /nfs/dbraw/zinc/07/03/09/429070309.db2.gz ZQIRUSJUSKFLPW-SNVBAGLBSA-N 1 3 313.239 2.990 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423363733 429071153 /nfs/dbraw/zinc/07/11/53/429071153.db2.gz VCWHTZHGGVUARV-IAGOWNOFSA-N 1 3 309.498 2.521 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423363733 429071156 /nfs/dbraw/zinc/07/11/56/429071156.db2.gz VCWHTZHGGVUARV-IAGOWNOFSA-N 1 3 309.498 2.521 20 0 DFADHO COc1ccc(C[C@H](C)NCC[C@H]2CCC[NH2+]2)c(C)c1OC ZINC000423358497 429071359 /nfs/dbraw/zinc/07/13/59/429071359.db2.gz NOYKVHUHYMOIBP-XJKSGUPXSA-N 1 3 306.450 2.675 20 0 DFADHO CC1(C)CCCN[C@@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000423357218 429072806 /nfs/dbraw/zinc/07/28/06/429072806.db2.gz LUPBKNJANNXMPC-QGZVFWFLSA-N 1 3 321.509 2.535 20 0 DFADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423369492 429074807 /nfs/dbraw/zinc/07/48/07/429074807.db2.gz DWUOSZBURNWCNK-YUTCNCBUSA-N 1 3 301.434 2.837 20 0 DFADHO C[C@@H]1[NH2+]CCC[C@H]1NC1CCN(c2ccc(F)cc2F)CC1 ZINC000423365528 429075125 /nfs/dbraw/zinc/07/51/25/429075125.db2.gz BVVXVLSFHMFTFQ-BLLLJJGKSA-N 1 3 309.404 2.664 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452169987 429078236 /nfs/dbraw/zinc/07/82/36/429078236.db2.gz HLJTVEQFFHETLI-KRWDZBQOSA-N 1 3 323.525 2.831 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)c2ccccc21 ZINC000423391990 429079154 /nfs/dbraw/zinc/07/91/54/429079154.db2.gz XGBNAOGMIXEFOT-ZZCKCESHSA-N 1 3 316.445 2.898 20 0 DFADHO C[C@@H]1[C@@H](N[C@H]2CCC[NH2+][C@H]2C)CCCN1Cc1ccccc1 ZINC000423398731 429081372 /nfs/dbraw/zinc/08/13/72/429081372.db2.gz VIKHUJOUVGAQKS-NBMJBFSESA-N 1 3 301.478 2.770 20 0 DFADHO C[C@@H]1[C@@H]([NH2+][C@H]2CCCN[C@H]2C)CCCN1Cc1ccccc1 ZINC000423398731 429081377 /nfs/dbraw/zinc/08/13/77/429081377.db2.gz VIKHUJOUVGAQKS-NBMJBFSESA-N 1 3 301.478 2.770 20 0 DFADHO COC[C@@]1(C[NH2+][C@@H](COCc2ccccc2)C(C)C)CCCN1 ZINC000423412864 429084050 /nfs/dbraw/zinc/08/40/50/429084050.db2.gz IXEWKGIXBLRKLE-OALUTQOASA-N 1 3 320.477 2.586 20 0 DFADHO N[C@@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)c1ccccc1 ZINC000424073071 429087368 /nfs/dbraw/zinc/08/73/68/429087368.db2.gz DZQVMXYIPPPDPM-ROUUACIJSA-N 1 3 317.477 2.881 20 0 DFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000434448991 429087844 /nfs/dbraw/zinc/08/78/44/429087844.db2.gz UKDBQSMVCRBRLI-MSOLQXFVSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000434448991 429087847 /nfs/dbraw/zinc/08/78/47/429087847.db2.gz UKDBQSMVCRBRLI-MSOLQXFVSA-N 1 3 319.493 2.527 20 0 DFADHO COc1cc2nccc(N3CC[N@@H+]4CCC[C@@H]4C3)c2cc1OC ZINC000413132229 429143702 /nfs/dbraw/zinc/14/37/02/429143702.db2.gz SXQBYPAWDOHRDS-CYBMUJFWSA-N 1 3 313.401 2.536 20 0 DFADHO COc1cc2nccc(N3CC[N@H+]4CCC[C@@H]4C3)c2cc1OC ZINC000413132229 429143705 /nfs/dbraw/zinc/14/37/05/429143705.db2.gz SXQBYPAWDOHRDS-CYBMUJFWSA-N 1 3 313.401 2.536 20 0 DFADHO C[NH+]1CCC2(CCCN(Cc3cccc4c3OCO4)C2)CC1 ZINC000376671425 429157815 /nfs/dbraw/zinc/15/78/15/429157815.db2.gz KUIOGTZEMKRUBB-UHFFFAOYSA-N 1 3 302.418 2.723 20 0 DFADHO CCN1CCC(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424145030 429098191 /nfs/dbraw/zinc/09/81/91/429098191.db2.gz YIILDYVFDHKPRA-INIZCTEOSA-N 1 3 309.498 2.665 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424138614 429098452 /nfs/dbraw/zinc/09/84/52/429098452.db2.gz CSYFDPBMADCZEQ-HFTRVMKXSA-N 1 3 321.509 2.663 20 0 DFADHO Clc1ccc([C@@H]2CC[C@@H](NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000423494982 429098568 /nfs/dbraw/zinc/09/85/68/429098568.db2.gz TULJFMICBMHIKL-OIISXLGYSA-N 1 3 308.853 2.944 20 0 DFADHO C[C@@H]1C[C@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CCN1C ZINC000424139051 429099324 /nfs/dbraw/zinc/09/93/24/429099324.db2.gz DVAPAQPXHNYHTQ-DJIMGWMZSA-N 1 3 309.498 2.663 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CNCCCO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423493959 429099662 /nfs/dbraw/zinc/09/96/62/429099662.db2.gz RLMUTWHGUOZGFX-FVCCEPFGSA-N 1 3 314.882 2.862 20 0 DFADHO C[C@@H](NC[C@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423493959 429099665 /nfs/dbraw/zinc/09/96/65/429099665.db2.gz RLMUTWHGUOZGFX-FVCCEPFGSA-N 1 3 314.882 2.862 20 0 DFADHO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CNCCCO1 ZINC000423494669 429099761 /nfs/dbraw/zinc/09/97/61/429099761.db2.gz SOHIRFLAMVHJCB-JSGCOSHPSA-N 1 3 316.367 2.605 20 0 DFADHO Cn1nccc1[C@H]1CCC[C@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)C1 ZINC000423506508 429101326 /nfs/dbraw/zinc/10/13/26/429101326.db2.gz HWMWKTUQTWYHHA-CADBVGFASA-N 1 3 324.472 2.792 20 0 DFADHO CCN(C(=O)CC[C@H](C)[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000434685996 429104283 /nfs/dbraw/zinc/10/42/83/429104283.db2.gz SMRRMUQGFDIGTG-XYJFISCASA-N 1 3 317.477 2.798 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN[C@H](C)[C@H]2C)cc1 ZINC000434671488 429105000 /nfs/dbraw/zinc/10/50/00/429105000.db2.gz UWMMNSWYRRYAKT-HZPDHXFCSA-N 1 3 317.477 2.741 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN[C@H](C)[C@H]2C)cc1 ZINC000434671488 429105004 /nfs/dbraw/zinc/10/50/04/429105004.db2.gz UWMMNSWYRRYAKT-HZPDHXFCSA-N 1 3 317.477 2.741 20 0 DFADHO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1(C)C ZINC000423517793 429106478 /nfs/dbraw/zinc/10/64/78/429106478.db2.gz BXOASPCLFOVNQK-QZMALGSESA-N 1 3 306.494 2.789 20 0 DFADHO CO[C@@H]1[C@@H](C)[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000423517793 429106482 /nfs/dbraw/zinc/10/64/82/429106482.db2.gz BXOASPCLFOVNQK-QZMALGSESA-N 1 3 306.494 2.789 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424181396 429106996 /nfs/dbraw/zinc/10/69/96/429106996.db2.gz RBXUDRPQBXXANG-NXHRZFHOSA-N 1 3 323.525 2.863 20 0 DFADHO c1ccc([C@@H]2CNC[C@H]2[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000423525658 429108220 /nfs/dbraw/zinc/10/82/20/429108220.db2.gz KUKCJPIUTYDLDW-MFKWGIFDSA-N 1 3 314.473 2.927 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCCO2)c2ccccc12 ZINC000423524182 429108319 /nfs/dbraw/zinc/10/83/19/429108319.db2.gz SRORGAGOFCBIPR-CABCVRRESA-N 1 3 314.429 2.878 20 0 DFADHO Cc1ccccc1[C@@H](NC[C@@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000423524165 429109154 /nfs/dbraw/zinc/10/91/54/429109154.db2.gz SPMGSZICIALQPT-HKUYNNGSSA-N 1 3 301.478 2.720 20 0 DFADHO CC1(C)[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)[C@H]2CCCO[C@@H]21 ZINC000423521167 429109309 /nfs/dbraw/zinc/10/93/09/429109309.db2.gz FYBHTDBQWUFMOA-AHHWSCLSSA-N 1 3 318.505 2.933 20 0 DFADHO CC1(C)[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@H]2CCCO[C@@H]21 ZINC000423521167 429109311 /nfs/dbraw/zinc/10/93/11/429109311.db2.gz FYBHTDBQWUFMOA-AHHWSCLSSA-N 1 3 318.505 2.933 20 0 DFADHO Cc1ccc(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1C ZINC000424287472 429119126 /nfs/dbraw/zinc/11/91/26/429119126.db2.gz IVXUZLXQUDGYRD-INIZCTEOSA-N 1 3 315.461 2.706 20 0 DFADHO CC(=O)c1ccccc1OCCN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424292973 429121653 /nfs/dbraw/zinc/12/16/53/429121653.db2.gz PBXMTCHCSYSZNJ-HNNXBMFYSA-N 1 3 316.445 2.732 20 0 DFADHO C[C@H](CCc1ccco1)NCc1cc(C2CC[NH2+]CC2)no1 ZINC000424375608 429131906 /nfs/dbraw/zinc/13/19/06/429131906.db2.gz KNSNCPIJZAWNHR-CYBMUJFWSA-N 1 3 303.406 2.846 20 0 DFADHO CCN(Cc1ccc(OCCOC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435388918 429135467 /nfs/dbraw/zinc/13/54/67/429135467.db2.gz IBARIECUXYHSKO-QGZVFWFLSA-N 1 3 306.450 2.676 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC000435377098 429136212 /nfs/dbraw/zinc/13/62/12/429136212.db2.gz YBDZZRUGNXMIIJ-MRXNPFEDSA-N 1 3 314.433 2.942 20 0 DFADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OCc2cccnc2)cc1 ZINC000435376563 429137687 /nfs/dbraw/zinc/13/76/87/429137687.db2.gz RQKKVSFMKWVPAM-QAPCUYQASA-N 1 3 311.429 2.830 20 0 DFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000494889140 429161054 /nfs/dbraw/zinc/16/10/54/429161054.db2.gz JTNYENJDFVYVIX-MBOZVWFJSA-N 1 3 315.505 2.958 20 0 DFADHO COc1ccc(CNCC2CC[NH+](CCC(C)C)CC2)cn1 ZINC000436309774 429195005 /nfs/dbraw/zinc/19/50/05/429195005.db2.gz VUVMFBUMIQIAEY-UHFFFAOYSA-N 1 3 305.466 2.938 20 0 DFADHO C[C@@H]1C[C@H](N(C)CC(C)(C)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495393014 429205423 /nfs/dbraw/zinc/20/54/23/429205423.db2.gz JNHODAZMLJYGPQ-ZIAGYGMSSA-N 1 3 313.486 2.704 20 0 DFADHO C[C@@H]1C[C@H](N(C)CC(C)(C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495393014 429205425 /nfs/dbraw/zinc/20/54/25/429205425.db2.gz JNHODAZMLJYGPQ-ZIAGYGMSSA-N 1 3 313.486 2.704 20 0 DFADHO Cn1cc(CN2CCC[C@@H](CC[NH3+])C2)c(-c2cccs2)n1 ZINC000442929596 429241096 /nfs/dbraw/zinc/24/10/96/429241096.db2.gz SBBGLWCUHQZSEO-ZDUSSCGKSA-N 1 3 304.463 2.709 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294702349 533689509 /nfs/dbraw/zinc/68/95/09/533689509.db2.gz BGKZTINGLANMEP-HZTRTUMWSA-N 1 3 301.434 2.619 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294702349 533689518 /nfs/dbraw/zinc/68/95/18/533689518.db2.gz BGKZTINGLANMEP-HZTRTUMWSA-N 1 3 301.434 2.619 20 0 DFADHO C[N@H+](CC1CCN(c2ccncc2)CC1)C[C@@H]1CCC=CO1 ZINC000364765868 429262764 /nfs/dbraw/zinc/26/27/64/429262764.db2.gz YSANUNWEJURWBB-SFHVURJKSA-N 1 3 301.434 2.923 20 0 DFADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)C[C@@H]1CCC=CO1 ZINC000364765868 429262770 /nfs/dbraw/zinc/26/27/70/429262770.db2.gz YSANUNWEJURWBB-SFHVURJKSA-N 1 3 301.434 2.923 20 0 DFADHO COC1(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCOCC1 ZINC000365462941 429323901 /nfs/dbraw/zinc/32/39/01/429323901.db2.gz QMLXKYKUNVHYCX-SFHVURJKSA-N 1 3 324.509 2.770 20 0 DFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000449107604 429335288 /nfs/dbraw/zinc/33/52/88/429335288.db2.gz MZXJAFZHKZCSHQ-IAGOWNOFSA-N 1 3 319.493 2.950 20 0 DFADHO CC(C)[C@H](O)CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449143298 429343622 /nfs/dbraw/zinc/34/36/22/429343622.db2.gz PYSNAKCKMAVIIO-QFBILLFUSA-N 1 3 304.478 2.689 20 0 DFADHO CC[C@@H]([NH2+]C1CCNCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496098859 429306918 /nfs/dbraw/zinc/30/69/18/429306918.db2.gz FDTLXWRMLLBSAV-HUUCEWRRSA-N 1 3 311.470 2.506 20 0 DFADHO CC[C@@H](NC1CC[NH2+]CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496098859 429306923 /nfs/dbraw/zinc/30/69/23/429306923.db2.gz FDTLXWRMLLBSAV-HUUCEWRRSA-N 1 3 311.470 2.506 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)c(Cl)c1OC ZINC000517758087 429397453 /nfs/dbraw/zinc/39/74/53/429397453.db2.gz YNMLJKBXYZFYNG-QWHCGFSZSA-N 1 3 312.841 2.759 20 0 DFADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@H](N)C2)c(Cl)c1OC ZINC000517758087 429397457 /nfs/dbraw/zinc/39/74/57/429397457.db2.gz YNMLJKBXYZFYNG-QWHCGFSZSA-N 1 3 312.841 2.759 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)N ZINC000517891748 429402666 /nfs/dbraw/zinc/40/26/66/429402666.db2.gz SKPYKSZPUNPSST-JTQLQIEISA-N 1 3 317.355 2.749 20 0 DFADHO C[C@H]([NH2+]CC1=CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449405440 429406321 /nfs/dbraw/zinc/40/63/21/429406321.db2.gz YMPRRBMTWLQGCC-QFBILLFUSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@H](NCC1=CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449405440 429406324 /nfs/dbraw/zinc/40/63/24/429406324.db2.gz YMPRRBMTWLQGCC-QFBILLFUSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@H](NCC1=CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449405440 429406326 /nfs/dbraw/zinc/40/63/26/429406326.db2.gz YMPRRBMTWLQGCC-QFBILLFUSA-N 1 3 300.446 2.833 20 0 DFADHO Cc1cnc([C@H](C)CNCc2cc(C3CC[NH2+]CC3)no2)s1 ZINC000425894760 429348813 /nfs/dbraw/zinc/34/88/13/429348813.db2.gz GXRKOFZPNHXXQQ-LLVKDONJSA-N 1 3 320.462 2.800 20 0 DFADHO CN(Cc1ccccc1-c1ccnn1C)C[C@@H]1CCC[N@H+](C)C1 ZINC000507367313 429349359 /nfs/dbraw/zinc/34/93/59/429349359.db2.gz LBCSGSRVTHCMSM-MRXNPFEDSA-N 1 3 312.461 2.861 20 0 DFADHO CN(Cc1ccccc1-c1ccnn1C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000507367313 429349363 /nfs/dbraw/zinc/34/93/63/429349363.db2.gz LBCSGSRVTHCMSM-MRXNPFEDSA-N 1 3 312.461 2.861 20 0 DFADHO CC1=C[C@H](C)C[C@H](C[NH+]2CCN([C@@H]3CCCN(C)C3)CC2)C1 ZINC000365665256 429358313 /nfs/dbraw/zinc/35/83/13/429358313.db2.gz FHELSSZFIBMOPX-YTQUADARSA-N 1 3 305.510 2.691 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCCC23CCC3)ccn1 ZINC000449223479 429361624 /nfs/dbraw/zinc/36/16/24/429361624.db2.gz ODGUQLGHAXSINR-MRXNPFEDSA-N 1 3 303.450 2.834 20 0 DFADHO CCN(CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)CCC(F)(F)F ZINC000426052898 429363378 /nfs/dbraw/zinc/36/33/78/429363378.db2.gz ULUVABFTQQFMBC-HZSPNIEDSA-N 1 3 309.420 2.579 20 0 DFADHO CCN(CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)CCC(F)(F)F ZINC000426052898 429363381 /nfs/dbraw/zinc/36/33/81/429363381.db2.gz ULUVABFTQQFMBC-HZSPNIEDSA-N 1 3 309.420 2.579 20 0 DFADHO CCOC(=O)c1cc(C[NH2+]CC2(CN(C)C)CCCC2)[nH]c1C ZINC000449241528 429366243 /nfs/dbraw/zinc/36/62/43/429366243.db2.gz BOHSYBVIGVXPMP-UHFFFAOYSA-N 1 3 321.465 2.711 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000449323930 429387210 /nfs/dbraw/zinc/38/72/10/429387210.db2.gz BTUMEGLNEYXHAV-HXUWFJFHSA-N 1 3 323.440 2.618 20 0 DFADHO CCOC(=O)[C@@H]1CCCC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000449515107 429440303 /nfs/dbraw/zinc/44/03/03/429440303.db2.gz YKVXIAXZUZERHU-CVEARBPZSA-N 1 3 310.482 2.961 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000518999534 429443691 /nfs/dbraw/zinc/44/36/91/429443691.db2.gz DZEXSSQJFLSLNC-DZGCQCFKSA-N 1 3 309.841 2.918 20 0 DFADHO C[N@@H+]1CCC[C@H](CCN[C@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000519110501 429448600 /nfs/dbraw/zinc/44/86/00/429448600.db2.gz AGVKMLNWJKMJGI-ZBFHGGJFSA-N 1 3 305.470 2.748 20 0 DFADHO C[N@H+]1CCC[C@H](CCN[C@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000519110501 429448603 /nfs/dbraw/zinc/44/86/03/429448603.db2.gz AGVKMLNWJKMJGI-ZBFHGGJFSA-N 1 3 305.470 2.748 20 0 DFADHO CC1CCC(O)(CN(C)C2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000366433296 429451063 /nfs/dbraw/zinc/45/10/63/429451063.db2.gz VYQAWJVFXUDSSY-UHFFFAOYSA-N 1 3 324.509 2.503 20 0 DFADHO CC(C)C[C@@H](CNC(=O)CNC1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000519541817 429463522 /nfs/dbraw/zinc/46/35/22/429463522.db2.gz MRWNGSSVQWIZFI-YJBOKZPZSA-N 1 3 317.477 2.620 20 0 DFADHO CN(C)C/C=C\C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000491861384 429422833 /nfs/dbraw/zinc/42/28/33/429422833.db2.gz AMLCTGVLLYZTMK-SREVYHEPSA-N 1 3 315.461 2.771 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1C=CCCC1 ZINC000427100067 429431827 /nfs/dbraw/zinc/43/18/27/429431827.db2.gz KOPYWINEYREPPV-ROUUACIJSA-N 1 3 321.509 2.607 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1C=CCCC1 ZINC000427100067 429431828 /nfs/dbraw/zinc/43/18/28/429431828.db2.gz KOPYWINEYREPPV-ROUUACIJSA-N 1 3 321.509 2.607 20 0 DFADHO C[N@H+](C[C@@H](O)CN[C@H]1C[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000520799774 429529300 /nfs/dbraw/zinc/52/93/00/429529300.db2.gz VEXTVTXQTORRIU-QRTARXTBSA-N 1 3 308.853 2.631 20 0 DFADHO C[N@@H+](C[C@@H](O)CN[C@H]1C[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000520799774 429529303 /nfs/dbraw/zinc/52/93/03/429529303.db2.gz VEXTVTXQTORRIU-QRTARXTBSA-N 1 3 308.853 2.631 20 0 DFADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000366866706 429529564 /nfs/dbraw/zinc/52/95/64/429529564.db2.gz RUDHPQPHYFVOPH-CALCHBBNSA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)CCCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000457500275 429477235 /nfs/dbraw/zinc/47/72/35/429477235.db2.gz BYMXCNXEKRKNET-UHFFFAOYSA-N 1 3 323.525 2.878 20 0 DFADHO C[NH+]1CCC(CCNC(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000449837959 429521984 /nfs/dbraw/zinc/52/19/84/429521984.db2.gz YNNUFBXIMYUMAT-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO C=Cn1cc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)cn1 ZINC000366999498 429555540 /nfs/dbraw/zinc/55/55/40/429555540.db2.gz WKUBFPUBLDWFRO-LJQANCHMSA-N 1 3 310.445 2.985 20 0 DFADHO C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)CN(C)C ZINC000521624741 429558893 /nfs/dbraw/zinc/55/88/93/429558893.db2.gz IVZOEVWHIRPRMS-PKOBYXMFSA-N 1 3 315.505 2.971 20 0 DFADHO CN(CCCO)C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450404196 429618092 /nfs/dbraw/zinc/61/80/92/429618092.db2.gz CIZFDEPJISFWED-CQSZACIVSA-N 1 3 304.425 2.591 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccccc2)CN1C1CC1 ZINC000367337194 429623827 /nfs/dbraw/zinc/62/38/27/429623827.db2.gz YDMNYFJPQAYRKZ-HGKSCXNLSA-N 1 3 313.489 2.894 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C)[C@@H]2c2ccccc2)CN1C1CC1 ZINC000367337197 429624496 /nfs/dbraw/zinc/62/44/96/429624496.db2.gz YDMNYFJPQAYRKZ-PHXBYCTMSA-N 1 3 313.489 2.894 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000450438097 429626215 /nfs/dbraw/zinc/62/62/15/429626215.db2.gz JWYDSTRZYDWBSN-NEWSRXKRSA-N 1 3 304.478 2.957 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000450438097 429626217 /nfs/dbraw/zinc/62/62/17/429626217.db2.gz JWYDSTRZYDWBSN-NEWSRXKRSA-N 1 3 304.478 2.957 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@H](C[NH3+])CC(C)C)cc1)C1CC1 ZINC000429318580 429599881 /nfs/dbraw/zinc/59/98/81/429599881.db2.gz RNCSPCIGDMXQHK-KRWDZBQOSA-N 1 3 317.477 2.774 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)[C@H](C)C1 ZINC000429460196 429609376 /nfs/dbraw/zinc/60/93/76/429609376.db2.gz XENYQWQLLOQGNC-OAOYMFHYSA-N 1 3 320.452 2.612 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)[C@H](C)C1 ZINC000429460196 429609379 /nfs/dbraw/zinc/60/93/79/429609379.db2.gz XENYQWQLLOQGNC-OAOYMFHYSA-N 1 3 320.452 2.612 20 0 DFADHO CC(C)[C@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)N1CCCCC1 ZINC000429499875 429612583 /nfs/dbraw/zinc/61/25/83/429612583.db2.gz BHANOMQHRKEQPJ-CRAIPNDOSA-N 1 3 317.477 2.833 20 0 DFADHO COCCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000367586631 429677405 /nfs/dbraw/zinc/67/74/05/429677405.db2.gz HVDBRSKQRHLFOA-AYHJJNSGSA-N 1 3 318.461 2.817 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H]1CCCc2c(O)cccc21 ZINC000361001989 276100100 /nfs/dbraw/zinc/10/01/00/276100100.db2.gz HSQJGEXXZDIRCS-QGZVFWFLSA-N 1 3 306.450 2.718 20 0 DFADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCCc1nc(C)no1 ZINC000360957744 276109326 /nfs/dbraw/zinc/10/93/26/276109326.db2.gz MOJHKUSFTMHVQF-HZPDHXFCSA-N 1 3 308.470 2.801 20 0 DFADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCCc1nc(C)no1 ZINC000360957744 276109327 /nfs/dbraw/zinc/10/93/27/276109327.db2.gz MOJHKUSFTMHVQF-HZPDHXFCSA-N 1 3 308.470 2.801 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccnc(N3CCCC3)c2)[C@H]2CCC[C@@H]21 ZINC000367639288 429691452 /nfs/dbraw/zinc/69/14/52/429691452.db2.gz UTFFWAKWNHYVLE-SQNIBIBYSA-N 1 3 314.477 2.644 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccnc(N3CCCC3)c2)[C@H]2CCC[C@@H]21 ZINC000367639288 429691457 /nfs/dbraw/zinc/69/14/57/429691457.db2.gz UTFFWAKWNHYVLE-SQNIBIBYSA-N 1 3 314.477 2.644 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@H]2CCC[C@@H]21 ZINC000367639288 429691461 /nfs/dbraw/zinc/69/14/61/429691461.db2.gz UTFFWAKWNHYVLE-SQNIBIBYSA-N 1 3 314.477 2.644 20 0 DFADHO CCN(C(=O)CC(C)(C)[NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000237047002 276298286 /nfs/dbraw/zinc/29/82/86/276298286.db2.gz KNYCDUDGIJDPEU-RDJZCZTQSA-N 1 3 317.477 2.798 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCn1nc(C)cc1C ZINC000450763122 429692739 /nfs/dbraw/zinc/69/27/39/429692739.db2.gz SZJKMPOXSIBNMR-ROUUACIJSA-N 1 3 306.498 2.990 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCn1nc(C)cc1C ZINC000450763122 429692746 /nfs/dbraw/zinc/69/27/46/429692746.db2.gz SZJKMPOXSIBNMR-ROUUACIJSA-N 1 3 306.498 2.990 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104262123 276361733 /nfs/dbraw/zinc/36/17/33/276361733.db2.gz CXUBIUBGQFROIJ-FGTMMUONSA-N 1 3 323.525 2.735 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104262123 276361734 /nfs/dbraw/zinc/36/17/34/276361734.db2.gz CXUBIUBGQFROIJ-FGTMMUONSA-N 1 3 323.525 2.735 20 0 DFADHO CN(CCOC1CCC1)[C@H]1CCC[N@H+](CCOC2CCC2)CC1 ZINC000367736166 429708711 /nfs/dbraw/zinc/70/87/11/429708711.db2.gz CQLBKJDEZIRLQO-KRWDZBQOSA-N 1 3 324.509 2.911 20 0 DFADHO CN(CCOC1CCC1)[C@H]1CCC[N@@H+](CCOC2CCC2)CC1 ZINC000367736166 429708714 /nfs/dbraw/zinc/70/87/14/429708714.db2.gz CQLBKJDEZIRLQO-KRWDZBQOSA-N 1 3 324.509 2.911 20 0 DFADHO CN1CCC([NH2+][C@H]2C[C@@H](C3CC3)N(Cc3ccccc3)C2)CC1 ZINC000367893974 429738818 /nfs/dbraw/zinc/73/88/18/429738818.db2.gz AOKUDSYQTSXWOR-PMACEKPBSA-N 1 3 313.489 2.723 20 0 DFADHO CCCN(CCCOc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000431081199 429740275 /nfs/dbraw/zinc/74/02/75/429740275.db2.gz OWAYLUHZGQOYKC-UHFFFAOYSA-N 1 3 306.450 2.928 20 0 DFADHO Cc1nc2c(n1[C@@H]1CC[N@@H+](CC[C@@H]3CCCN3C)C1)CCCC2 ZINC000432078720 429797813 /nfs/dbraw/zinc/79/78/13/429797813.db2.gz RHPKPFITLBIMMJ-DLBZAZTESA-N 1 3 316.493 2.801 20 0 DFADHO Cc1nc2c(n1[C@@H]1CC[N@H+](CC[C@@H]3CCCN3C)C1)CCCC2 ZINC000432078720 429797818 /nfs/dbraw/zinc/79/78/18/429797818.db2.gz RHPKPFITLBIMMJ-DLBZAZTESA-N 1 3 316.493 2.801 20 0 DFADHO Cc1nc2c(n1[C@@H]1CCN(CC[C@@H]3CCC[N@H+]3C)C1)CCCC2 ZINC000432078720 429797822 /nfs/dbraw/zinc/79/78/22/429797822.db2.gz RHPKPFITLBIMMJ-DLBZAZTESA-N 1 3 316.493 2.801 20 0 DFADHO Cc1nc2c(n1[C@@H]1CCN(CC[C@@H]3CCC[N@@H+]3C)C1)CCCC2 ZINC000432078720 429797828 /nfs/dbraw/zinc/79/78/28/429797828.db2.gz RHPKPFITLBIMMJ-DLBZAZTESA-N 1 3 316.493 2.801 20 0 DFADHO Cc1nc2c(n1[C@H]1CC[N@@H+](CC[C@@H]3CCCN3C)C1)CCCC2 ZINC000432078722 429799213 /nfs/dbraw/zinc/79/92/13/429799213.db2.gz RHPKPFITLBIMMJ-IRXDYDNUSA-N 1 3 316.493 2.801 20 0 DFADHO Cc1nc2c(n1[C@H]1CC[N@H+](CC[C@@H]3CCCN3C)C1)CCCC2 ZINC000432078722 429799217 /nfs/dbraw/zinc/79/92/17/429799217.db2.gz RHPKPFITLBIMMJ-IRXDYDNUSA-N 1 3 316.493 2.801 20 0 DFADHO Cc1nc2c(n1[C@H]1CCN(CC[C@@H]3CCC[N@H+]3C)C1)CCCC2 ZINC000432078722 429799218 /nfs/dbraw/zinc/79/92/18/429799218.db2.gz RHPKPFITLBIMMJ-IRXDYDNUSA-N 1 3 316.493 2.801 20 0 DFADHO Cc1nc2c(n1[C@H]1CCN(CC[C@@H]3CCC[N@@H+]3C)C1)CCCC2 ZINC000432078722 429799220 /nfs/dbraw/zinc/79/92/20/429799220.db2.gz RHPKPFITLBIMMJ-IRXDYDNUSA-N 1 3 316.493 2.801 20 0 DFADHO Cn1cccc1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000367958642 429753087 /nfs/dbraw/zinc/75/30/87/429753087.db2.gz FBVVSOLMXAXDBJ-RBUKOAKNSA-N 1 3 309.457 2.979 20 0 DFADHO Cn1cccc1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000367958642 429753090 /nfs/dbraw/zinc/75/30/90/429753090.db2.gz FBVVSOLMXAXDBJ-RBUKOAKNSA-N 1 3 309.457 2.979 20 0 DFADHO C[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@H]1CC1(C)C ZINC000486943354 429755832 /nfs/dbraw/zinc/75/58/32/429755832.db2.gz WKOXDQUVPANDTE-RHSMWYFYSA-N 1 3 317.477 2.502 20 0 DFADHO c1ccc(C[N@H+]2CC[C@H]3CN(CC4=CCCOC4)C[C@@H]3C2)cc1 ZINC000367967377 429755911 /nfs/dbraw/zinc/75/59/11/429755911.db2.gz UWOOXKBWBMLTCK-PMACEKPBSA-N 1 3 312.457 2.787 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@H]3CN(CC4=CCCOC4)C[C@@H]3C2)cc1 ZINC000367967377 429755915 /nfs/dbraw/zinc/75/59/15/429755915.db2.gz UWOOXKBWBMLTCK-PMACEKPBSA-N 1 3 312.457 2.787 20 0 DFADHO c1ccc(C[N@H+]2CC[C@@H]3CN(CC4=CCCOC4)C[C@@H]3C2)cc1 ZINC000367967378 429756340 /nfs/dbraw/zinc/75/63/40/429756340.db2.gz UWOOXKBWBMLTCK-UXHICEINSA-N 1 3 312.457 2.787 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(CC4=CCCOC4)C[C@@H]3C2)cc1 ZINC000367967378 429756343 /nfs/dbraw/zinc/75/63/43/429756343.db2.gz UWOOXKBWBMLTCK-UXHICEINSA-N 1 3 312.457 2.787 20 0 DFADHO C[C@@H](CNC(=O)C[C@H](c1ccccc1)N(C)C)C[NH+]1CCCC1 ZINC000431724894 429779664 /nfs/dbraw/zinc/77/96/64/429779664.db2.gz XGIHTAIIPMTDGJ-FUHWJXTLSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@H]1CCCCN1CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431745479 429780935 /nfs/dbraw/zinc/78/09/35/429780935.db2.gz QSQZPGYXOAJYJS-WMZOPIPTSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@H]1CCCCN1CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431741295 429781669 /nfs/dbraw/zinc/78/16/69/429781669.db2.gz JKRNNHWOJWCUOO-WMZOPIPTSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@H]1CCCCN1CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431741295 429781673 /nfs/dbraw/zinc/78/16/73/429781673.db2.gz JKRNNHWOJWCUOO-WMZOPIPTSA-N 1 3 321.509 2.774 20 0 DFADHO Cn1cc(-c2nc(CNC3CCC([NH+](C)C)CC3)cs2)cn1 ZINC000527722800 429785299 /nfs/dbraw/zinc/78/52/99/429785299.db2.gz ZBVGGAXDXLBYQY-UHFFFAOYSA-N 1 3 319.478 2.506 20 0 DFADHO CSC1(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCC1 ZINC000368107602 429789355 /nfs/dbraw/zinc/78/93/55/429789355.db2.gz GKHJTDJKPPSTPZ-SJPCQFCGSA-N 1 3 323.550 2.515 20 0 DFADHO CSC1(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCC1 ZINC000368107602 429789359 /nfs/dbraw/zinc/78/93/59/429789359.db2.gz GKHJTDJKPPSTPZ-SJPCQFCGSA-N 1 3 323.550 2.515 20 0 DFADHO COc1cccc([C@H](C[NH2+]C2CCN(C(C)C)CC2)OC)c1 ZINC000527920584 429821895 /nfs/dbraw/zinc/82/18/95/429821895.db2.gz NUYQJJVHNSBQSX-SFHVURJKSA-N 1 3 306.450 2.845 20 0 DFADHO CC(C)[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000432831844 429844691 /nfs/dbraw/zinc/84/46/91/429844691.db2.gz VYMMNBMBVYWEIE-SLFFLAALSA-N 1 3 316.489 2.990 20 0 DFADHO CC(C)[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000432831844 429844692 /nfs/dbraw/zinc/84/46/92/429844692.db2.gz VYMMNBMBVYWEIE-SLFFLAALSA-N 1 3 316.489 2.990 20 0 DFADHO c1ccc(COC2CC(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000493888957 429846410 /nfs/dbraw/zinc/84/64/10/429846410.db2.gz QTOREDBQUQSQIC-BTRQGYIVSA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(COC2CC(N[C@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000493888957 429846415 /nfs/dbraw/zinc/84/64/15/429846415.db2.gz QTOREDBQUQSQIC-BTRQGYIVSA-N 1 3 300.446 2.951 20 0 DFADHO C[C@@]1(CNC(=[NH2+])Nc2ccccn2)CCN(Cc2ccccc2)C1 ZINC000368532450 429863504 /nfs/dbraw/zinc/86/35/04/429863504.db2.gz YUKCTBASEKNICU-IBGZPJMESA-N 1 3 323.444 2.930 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2c2cccn2C)CC1 ZINC000369206875 429919309 /nfs/dbraw/zinc/91/93/09/429919309.db2.gz WXRBYKCEDXEPHY-IBGZPJMESA-N 1 3 318.509 2.578 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2c2cccn2C)CC1 ZINC000369206875 429919310 /nfs/dbraw/zinc/91/93/10/429919310.db2.gz WXRBYKCEDXEPHY-IBGZPJMESA-N 1 3 318.509 2.578 20 0 DFADHO C[C@H](C[C@H](C)[NH2+]CC1=CCN(C)CC1)NC(=O)OC(C)(C)C ZINC000494418802 429871273 /nfs/dbraw/zinc/87/12/73/429871273.db2.gz QXRUQZYYQPEWPQ-UONOGXRCSA-N 1 3 311.470 2.530 20 0 DFADHO CC[C@]1(CN[C@H]2CC[N@H+](C)C[C@@H]2C)OCCc2ccccc21 ZINC000558500704 429975670 /nfs/dbraw/zinc/97/56/70/429975670.db2.gz JTUSYJUWPVWSFE-ZYSHUDEJSA-N 1 3 302.462 2.794 20 0 DFADHO CC[C@]1(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)OCCc2ccccc21 ZINC000558500704 429975671 /nfs/dbraw/zinc/97/56/71/429975671.db2.gz JTUSYJUWPVWSFE-ZYSHUDEJSA-N 1 3 302.462 2.794 20 0 DFADHO Clc1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCO2 ZINC000574277509 430028199 /nfs/dbraw/zinc/02/81/99/430028199.db2.gz KZJPBVCWFIVVQT-KBPBESRZSA-N 1 3 322.836 2.890 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000574338983 430033540 /nfs/dbraw/zinc/03/35/40/430033540.db2.gz ISYZLQAWKRCIQV-OLZOCXBDSA-N 1 3 302.340 2.987 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccc(OC(F)(F)F)cc2)C1 ZINC000574338983 430033545 /nfs/dbraw/zinc/03/35/45/430033545.db2.gz ISYZLQAWKRCIQV-OLZOCXBDSA-N 1 3 302.340 2.987 20 0 DFADHO CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000574499182 430047081 /nfs/dbraw/zinc/04/70/81/430047081.db2.gz MDJXQTPCSMDFHA-CRAIPNDOSA-N 1 3 321.509 2.678 20 0 DFADHO COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CCNCC(C)(C)C1)C2 ZINC000634733959 430093630 /nfs/dbraw/zinc/09/36/30/430093630.db2.gz SQHVGPPTBGDYHU-HZPDHXFCSA-N 1 3 302.462 2.920 20 0 DFADHO CC(C)(C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H](N)c1ccccc1 ZINC000634763477 430106527 /nfs/dbraw/zinc/10/65/27/430106527.db2.gz XMCAVFNFFOPGQH-HZPDHXFCSA-N 1 3 317.477 2.607 20 0 DFADHO C[C@@H](c1ccccc1F)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240953 430107195 /nfs/dbraw/zinc/10/71/95/430107195.db2.gz OGOHVFNXZRJIOL-HOCLYGCPSA-N 1 3 306.425 2.977 20 0 DFADHO COCC1(NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000560557742 430055371 /nfs/dbraw/zinc/05/53/71/430055371.db2.gz YFFLGDKIIGLFSK-AEFFLSMTSA-N 1 3 324.509 2.815 20 0 DFADHO COCC1([NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000560557742 430055374 /nfs/dbraw/zinc/05/53/74/430055374.db2.gz YFFLGDKIIGLFSK-AEFFLSMTSA-N 1 3 324.509 2.815 20 0 DFADHO CCc1ccccc1[C@H](N)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000560966703 430071261 /nfs/dbraw/zinc/07/12/61/430071261.db2.gz LDRBDCRSXVJYLW-NCXUSEDFSA-N 1 3 301.478 2.759 20 0 DFADHO COc1cccc2c1C[C@@H](NC1CC[NH+](CC3CC3)CC1)C2 ZINC000581057641 430173980 /nfs/dbraw/zinc/17/39/80/430173980.db2.gz ZFMFZMBVQJRBEO-KRWDZBQOSA-N 1 3 300.446 2.626 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000580639001 430140677 /nfs/dbraw/zinc/14/06/77/430140677.db2.gz AIOOGUYNPNFODR-QAPCUYQASA-N 1 3 303.450 2.691 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(C)CCCNC2)c1 ZINC000580639001 430140681 /nfs/dbraw/zinc/14/06/81/430140681.db2.gz AIOOGUYNPNFODR-QAPCUYQASA-N 1 3 303.450 2.691 20 0 DFADHO COc1cccc(C[C@@H](C)[NH2+]CC[C@@H](N)Cc2ccccc2)n1 ZINC000635005350 430194590 /nfs/dbraw/zinc/19/45/90/430194590.db2.gz IFGPTTCUCFUJIH-NVXWUHKLSA-N 1 3 313.445 2.571 20 0 DFADHO COc1cccc(C[C@@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000635005350 430194595 /nfs/dbraw/zinc/19/45/95/430194595.db2.gz IFGPTTCUCFUJIH-NVXWUHKLSA-N 1 3 313.445 2.571 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CCCCN2CCN(C)CC2)c2ccccc21 ZINC000581215610 430187943 /nfs/dbraw/zinc/18/79/43/430187943.db2.gz VIWMKHXFIWKNTE-APWZRJJASA-N 1 3 301.478 2.852 20 0 DFADHO Brc1cccc2c1C[C@@H]1[C@H](N[C@@H]3CCC[NH2+]CC3)[C@H]21 ZINC000634997740 430189256 /nfs/dbraw/zinc/18/92/56/430189256.db2.gz RKVDRVMFOJFBIH-SUZRMVIJSA-N 1 3 321.262 2.819 20 0 DFADHO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](n3cc(CN)nn3)C2)s1 ZINC000635000316 430189647 /nfs/dbraw/zinc/18/96/47/430189647.db2.gz LTLKXZVYHKGRLI-ZDUSSCGKSA-N 1 3 319.478 2.543 20 0 DFADHO CC(C)(C)c1ccc(C[N@H+]2CC[C@H](n3cc(CN)nn3)C2)s1 ZINC000635000316 430189652 /nfs/dbraw/zinc/18/96/52/430189652.db2.gz LTLKXZVYHKGRLI-ZDUSSCGKSA-N 1 3 319.478 2.543 20 0 DFADHO C[C@H](N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000634997855 430190297 /nfs/dbraw/zinc/19/02/97/430190297.db2.gz UWMXQEQMEOSYRY-ASAMYOCWSA-N 1 3 321.262 2.675 20 0 DFADHO Brc1cccc2c1C[C@@H]1[C@H](N[C@H]3CCC[NH2+]CC3)[C@H]21 ZINC000634997738 430190610 /nfs/dbraw/zinc/19/06/10/430190610.db2.gz RKVDRVMFOJFBIH-CEFQPYBMSA-N 1 3 321.262 2.819 20 0 DFADHO CNC(=O)c1cccc(CN(C)CCCC[NH+]2CCCCC2)c1 ZINC000640531207 430191519 /nfs/dbraw/zinc/19/15/19/430191519.db2.gz LPYNQRJZQBHMSO-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO C[C@@]1(CN[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[NH2+]C1 ZINC000635001161 430192494 /nfs/dbraw/zinc/19/24/94/430192494.db2.gz IOPCTTAGHVKGBP-ZJIFWQFVSA-N 1 3 321.262 2.676 20 0 DFADHO CN(CCCC[NH+]1CCCCC1)Cc1ccc(N(C)C)nc1 ZINC000640534184 430193179 /nfs/dbraw/zinc/19/31/79/430193179.db2.gz MYDROFZKDIXHBS-UHFFFAOYSA-N 1 3 304.482 2.846 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](N)Cc2ccccc2)C12CCC2 ZINC000635007990 430193751 /nfs/dbraw/zinc/19/37/51/430193751.db2.gz QMOBBEKQZBUZPN-RCCFBDPRSA-N 1 3 302.462 2.884 20 0 DFADHO CCO[C@@H]1C[C@@H](NCC[C@H]([NH3+])Cc2ccccc2)C12CCC2 ZINC000635007990 430193755 /nfs/dbraw/zinc/19/37/55/430193755.db2.gz QMOBBEKQZBUZPN-RCCFBDPRSA-N 1 3 302.462 2.884 20 0 DFADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000581357463 430201247 /nfs/dbraw/zinc/20/12/47/430201247.db2.gz VAEAIIMTKKPBBJ-RBSFLKMASA-N 1 3 300.450 2.862 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3c2CCNC3)C1 ZINC000635011987 430195108 /nfs/dbraw/zinc/19/51/08/430195108.db2.gz RZOUZGDAYMHZOG-CRAIPNDOSA-N 1 3 324.472 2.882 20 0 DFADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cccc3c2CCNC3)C12CCC2 ZINC000635008641 430195243 /nfs/dbraw/zinc/19/52/43/430195243.db2.gz FYCOSDUIWPVWQI-JEBQAFNWSA-N 1 3 300.446 2.626 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@@H]3CC[NH2+]CC[C@@H]3C)C2)cc1 ZINC000635011651 430195668 /nfs/dbraw/zinc/19/56/68/430195668.db2.gz GCBZIFJJCQMJTK-YTQUADARSA-N 1 3 301.478 2.547 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010269 430196156 /nfs/dbraw/zinc/19/61/56/430196156.db2.gz RLHNRCBGDIXFQC-AUUYWEPGSA-N 1 3 308.429 2.837 20 0 DFADHO C[C@@H](N[C@H]1CCCCCN(Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000635020902 430197815 /nfs/dbraw/zinc/19/78/15/430197815.db2.gz NNATWJAHBZKDKC-APWZRJJASA-N 1 3 301.478 2.629 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@H]3CCCC[C@@H]3C[NH3+])C2)cc1 ZINC000635013689 430198188 /nfs/dbraw/zinc/19/81/88/430198188.db2.gz VCKWLSNCPAEJGK-QYZOEREBSA-N 1 3 301.478 2.676 20 0 DFADHO C[C@@H](N[C@@H]1CCCCCN(Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000635020908 430198713 /nfs/dbraw/zinc/19/87/13/430198713.db2.gz NNATWJAHBZKDKC-VQIMIIECSA-N 1 3 301.478 2.629 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638133948 430248551 /nfs/dbraw/zinc/24/85/51/430248551.db2.gz LTDZBZNCGSHYJO-ROUUACIJSA-N 1 3 301.478 2.787 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638133948 430248554 /nfs/dbraw/zinc/24/85/54/430248554.db2.gz LTDZBZNCGSHYJO-ROUUACIJSA-N 1 3 301.478 2.787 20 0 DFADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638133948 430248559 /nfs/dbraw/zinc/24/85/59/430248559.db2.gz LTDZBZNCGSHYJO-ROUUACIJSA-N 1 3 301.478 2.787 20 0 DFADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638133948 430248562 /nfs/dbraw/zinc/24/85/62/430248562.db2.gz LTDZBZNCGSHYJO-ROUUACIJSA-N 1 3 301.478 2.787 20 0 DFADHO c1ccc(-c2ncc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000566230257 430250014 /nfs/dbraw/zinc/25/00/14/430250014.db2.gz VTANGSAQAMFFHJ-RTBURBONSA-N 1 3 322.456 2.965 20 0 DFADHO C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)c1nc(-c2ccccc2)no1 ZINC000566482070 430265707 /nfs/dbraw/zinc/26/57/07/430265707.db2.gz RRTKKGDUQXXLLJ-BPLDGKMQSA-N 1 3 300.406 2.700 20 0 DFADHO CC(C)[N@@H+]1CC[C@H](CNCc2cc(-n3ccnc3)cs2)C1 ZINC000566526039 430267531 /nfs/dbraw/zinc/26/75/31/430267531.db2.gz DVIJEFDMLWXREN-CQSZACIVSA-N 1 3 304.463 2.754 20 0 DFADHO CC(C)[N@H+]1CC[C@H](CNCc2cc(-n3ccnc3)cs2)C1 ZINC000566526039 430267536 /nfs/dbraw/zinc/26/75/36/430267536.db2.gz DVIJEFDMLWXREN-CQSZACIVSA-N 1 3 304.463 2.754 20 0 DFADHO CC(C)N1CC[C@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000566526039 430267541 /nfs/dbraw/zinc/26/75/41/430267541.db2.gz DVIJEFDMLWXREN-CQSZACIVSA-N 1 3 304.463 2.754 20 0 DFADHO CN(C)CCOc1cccc(C[NH2+]C[C@H](O)CC2CCCC2)c1 ZINC000582117338 430268508 /nfs/dbraw/zinc/26/85/08/430268508.db2.gz NAMZZZAJQDVEPU-GOSISDBHSA-N 1 3 320.477 2.658 20 0 DFADHO CN(C)CCOc1cccc(C[NH2+]C[C@@H](O)CC2CCCC2)c1 ZINC000582117339 430269880 /nfs/dbraw/zinc/26/98/80/430269880.db2.gz NAMZZZAJQDVEPU-SFHVURJKSA-N 1 3 320.477 2.658 20 0 DFADHO CN[C@H](C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000582132214 430271202 /nfs/dbraw/zinc/27/12/02/430271202.db2.gz FATHLKIOBYKSKA-CQSZACIVSA-N 1 3 303.450 2.998 20 0 DFADHO CN[C@H](C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000582132214 430271207 /nfs/dbraw/zinc/27/12/07/430271207.db2.gz FATHLKIOBYKSKA-CQSZACIVSA-N 1 3 303.450 2.998 20 0 DFADHO CC[NH2+][C@H](C)C(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000638079618 430229207 /nfs/dbraw/zinc/22/92/07/430229207.db2.gz PASJAOLPKUOSCI-JFIYKMOQSA-N 1 3 317.477 2.668 20 0 DFADHO COc1cncc(CN2CCC(CCC[NH+](C)C)CC2)c1C ZINC000638119793 430240843 /nfs/dbraw/zinc/24/08/43/430240843.db2.gz AIVKZXUFVCONLQ-UHFFFAOYSA-N 1 3 305.466 2.952 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@H]2C)[C@]12CCCO2 ZINC000638302681 430298371 /nfs/dbraw/zinc/29/83/71/430298371.db2.gz KWOYSOWWCRLULH-XMTFNYHQSA-N 1 3 310.482 2.567 20 0 DFADHO CCC(CC)[C@@H](CNCCCc1cnn(C)c1)[NH+]1CCCC1 ZINC000638349810 430312305 /nfs/dbraw/zinc/31/23/05/430312305.db2.gz WDFAXEOOCZOKOV-GOSISDBHSA-N 1 3 306.498 2.843 20 0 DFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)[C@@H]1CC2CCC1CC2 ZINC000638360946 430317801 /nfs/dbraw/zinc/31/78/01/430317801.db2.gz XIHQUFVXQYBWDY-UGXKVIGPSA-N 1 3 307.526 2.818 20 0 DFADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)c2ccccc21 ZINC000582660036 430321299 /nfs/dbraw/zinc/32/12/99/430321299.db2.gz KYOBLXKQGAFYCG-VUCTXSBTSA-N 1 3 312.392 2.534 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC[C@@H](OC)[C@@H]2CCOC2)c1 ZINC000638382115 430325033 /nfs/dbraw/zinc/32/50/33/430325033.db2.gz SCLYPSNNEFZGKU-RTBURBONSA-N 1 3 320.477 2.670 20 0 DFADHO CN(C)CCOc1cccc(C[NH2+]CC2CCSCC2)c1 ZINC000638382590 430325147 /nfs/dbraw/zinc/32/51/47/430325147.db2.gz XSVXOYLQVMKHIB-UHFFFAOYSA-N 1 3 308.491 2.860 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC[C@@H](OC)[C@H]2CCOC2)c1 ZINC000638382112 430325715 /nfs/dbraw/zinc/32/57/15/430325715.db2.gz SCLYPSNNEFZGKU-RBUKOAKNSA-N 1 3 320.477 2.670 20 0 DFADHO CC(C)C[C@@H](CN(C)C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000546015799 430342507 /nfs/dbraw/zinc/34/25/07/430342507.db2.gz WUMZCIVHFLOLCJ-INIZCTEOSA-N 1 3 311.514 2.734 20 0 DFADHO CC(C)C[C@@H](CN(C)C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546015799 430342510 /nfs/dbraw/zinc/34/25/10/430342510.db2.gz WUMZCIVHFLOLCJ-INIZCTEOSA-N 1 3 311.514 2.734 20 0 DFADHO CO[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000638701026 430411974 /nfs/dbraw/zinc/41/19/74/430411974.db2.gz NDBMVZPHPWPLRU-XVLXNVKGSA-N 1 3 302.462 2.849 20 0 DFADHO CO[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000638701026 430411979 /nfs/dbraw/zinc/41/19/79/430411979.db2.gz NDBMVZPHPWPLRU-XVLXNVKGSA-N 1 3 302.462 2.849 20 0 DFADHO c1ccc(CCN2CC[C@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000638522090 430367665 /nfs/dbraw/zinc/36/76/65/430367665.db2.gz XAVLUODCPKGBTJ-MOPGFXCFSA-N 1 3 302.462 2.710 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc(OCCN(C)C)c1 ZINC000186788867 277628883 /nfs/dbraw/zinc/62/88/83/277628883.db2.gz PAXTXTXBISOWJQ-ZTFGCOKTSA-N 1 3 306.450 2.581 20 0 DFADHO Cc1ccc(CCNC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000638669703 430405051 /nfs/dbraw/zinc/40/50/51/430405051.db2.gz VPNALJIKAOSLGT-SFHVURJKSA-N 1 3 302.462 2.628 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)C1 ZINC000583575434 430407202 /nfs/dbraw/zinc/40/72/02/430407202.db2.gz FKYAVXHJNHFUQX-FRRDWIJNSA-N 1 3 311.832 2.917 20 0 DFADHO CN(C)CCN(C(=O)CC[N@H+](C)C1CCCCC1)C1CCCC1 ZINC000548061866 430443564 /nfs/dbraw/zinc/44/35/64/430443564.db2.gz IEYWZLSWORTROG-UHFFFAOYSA-N 1 3 323.525 2.974 20 0 DFADHO CN(C)CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC000548061866 430443568 /nfs/dbraw/zinc/44/35/68/430443568.db2.gz IEYWZLSWORTROG-UHFFFAOYSA-N 1 3 323.525 2.974 20 0 DFADHO CCO[C@@H]1C[C@@H](NCc2cccc(C[NH+](C)C)c2)[C@]12CCCO2 ZINC000638851750 430455292 /nfs/dbraw/zinc/45/52/92/430455292.db2.gz RPKYGWHCNKFRSA-GUDVDZBRSA-N 1 3 318.461 2.564 20 0 DFADHO C[C@H]([NH3+])CCC(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852288 430455917 /nfs/dbraw/zinc/45/59/17/430455917.db2.gz XBYUYBQOTOSBHD-WMZOPIPTSA-N 1 3 317.477 2.675 20 0 DFADHO CC[C@H](CSc1ccccc1)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000569476260 430457519 /nfs/dbraw/zinc/45/75/19/430457519.db2.gz UBCJXIGNCODEMX-ZBFHGGJFSA-N 1 3 308.491 2.602 20 0 DFADHO CC[C@H](CSc1ccccc1)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000569476260 430457523 /nfs/dbraw/zinc/45/75/23/430457523.db2.gz UBCJXIGNCODEMX-ZBFHGGJFSA-N 1 3 308.491 2.602 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)N(C)C ZINC000638867171 430460939 /nfs/dbraw/zinc/46/09/39/430460939.db2.gz YZRAWBIDCTYJJM-AYBZRNKSSA-N 1 3 301.478 2.894 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@H]3CCC[C@H]([NH3+])C3)C2)c1 ZINC000584183158 430466683 /nfs/dbraw/zinc/46/66/83/430466683.db2.gz WRMJWSOMHYSXOB-JYJNAYRXSA-N 1 3 303.450 2.524 20 0 DFADHO COc1cccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H](N)C3)C2)c1 ZINC000584183158 430466688 /nfs/dbraw/zinc/46/66/88/430466688.db2.gz WRMJWSOMHYSXOB-JYJNAYRXSA-N 1 3 303.450 2.524 20 0 DFADHO CC[NH+](CC)CC[C@H](CO)N[C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000641769414 430467509 /nfs/dbraw/zinc/46/75/09/430467509.db2.gz BEAPPALERDMSPG-NZSAHSFTSA-N 1 3 319.493 2.790 20 0 DFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548393309 430470165 /nfs/dbraw/zinc/47/01/65/430470165.db2.gz HPIWZEVSJOZUFE-INIZCTEOSA-N 1 3 323.525 2.830 20 0 DFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548393309 430470167 /nfs/dbraw/zinc/47/01/67/430470167.db2.gz HPIWZEVSJOZUFE-INIZCTEOSA-N 1 3 323.525 2.830 20 0 DFADHO COc1cc(C[C@H](C)[NH2+]C[C@@H]2CCCN(CC(C)C)C2)ccn1 ZINC000638788013 430432839 /nfs/dbraw/zinc/43/28/39/430432839.db2.gz ZYGJPJIRFKQVDI-WMZOPIPTSA-N 1 3 319.493 2.979 20 0 DFADHO COc1cc(C[C@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)ccn1 ZINC000638788013 430432842 /nfs/dbraw/zinc/43/28/42/430432842.db2.gz ZYGJPJIRFKQVDI-WMZOPIPTSA-N 1 3 319.493 2.979 20 0 DFADHO COc1cc(C[C@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)ccn1 ZINC000638788013 430432846 /nfs/dbraw/zinc/43/28/46/430432846.db2.gz ZYGJPJIRFKQVDI-WMZOPIPTSA-N 1 3 319.493 2.979 20 0 DFADHO C[C@@H]([NH2+]C1CC(n2cccn2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000638973181 430485238 /nfs/dbraw/zinc/48/52/38/430485238.db2.gz YFIDRLXOTSZYTK-MHAAMQRSSA-N 1 3 302.466 2.829 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000569817127 430488260 /nfs/dbraw/zinc/48/82/60/430488260.db2.gz MGIJEWFEDJJCCQ-CQSZACIVSA-N 1 3 318.465 2.574 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000569817127 430488261 /nfs/dbraw/zinc/48/82/61/430488261.db2.gz MGIJEWFEDJJCCQ-CQSZACIVSA-N 1 3 318.465 2.574 20 0 DFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)c1 ZINC000639064057 430509656 /nfs/dbraw/zinc/50/96/56/430509656.db2.gz BWXNPFRAXFROEY-KRWDZBQOSA-N 1 3 323.440 2.841 20 0 DFADHO CO[C@@H](CNC(C)(C)CC[NH+]1CCCCCC1)[C@H]1CCOC1 ZINC000639067451 430510460 /nfs/dbraw/zinc/51/04/60/430510460.db2.gz XRNVTXACBAVMSZ-IRXDYDNUSA-N 1 3 312.498 2.672 20 0 DFADHO CC[NH+]1CCC(NCCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000642516250 430516454 /nfs/dbraw/zinc/51/64/54/430516454.db2.gz DZTKBOVGFVNWRW-UHFFFAOYSA-N 1 3 309.841 2.743 20 0 DFADHO CO[C@@H](Cc1ccccc1)C[N@@H+]1CCCC12CCN(C)CC2 ZINC000639082828 430517401 /nfs/dbraw/zinc/51/74/01/430517401.db2.gz YAIUWLVSQDKHQS-SFHVURJKSA-N 1 3 302.462 2.804 20 0 DFADHO CO[C@@H](Cc1ccccc1)C[N@H+]1CCCC12CCN(C)CC2 ZINC000639082828 430517404 /nfs/dbraw/zinc/51/74/04/430517404.db2.gz YAIUWLVSQDKHQS-SFHVURJKSA-N 1 3 302.462 2.804 20 0 DFADHO C[C@@H]1C[C@@H](Nc2cccc3c2OCC[C@@H]3N(C)C)CC[N@@H+]1C ZINC000639114628 430530100 /nfs/dbraw/zinc/53/01/00/430530100.db2.gz GMEZFRCLRCFAJY-KEYYUXOJSA-N 1 3 303.450 2.966 20 0 DFADHO C[C@@H]1C[C@@H](Nc2cccc3c2OCC[C@@H]3N(C)C)CC[N@H+]1C ZINC000639114628 430530103 /nfs/dbraw/zinc/53/01/03/430530103.db2.gz GMEZFRCLRCFAJY-KEYYUXOJSA-N 1 3 303.450 2.966 20 0 DFADHO COc1ccc(COCCN[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000643078010 430549397 /nfs/dbraw/zinc/54/93/97/430549397.db2.gz OKQDABDRNDOAQV-GOSISDBHSA-N 1 3 306.450 2.709 20 0 DFADHO Cc1scc(C[NH+]2CCC(CN3CCN(C)CC3)CC2)c1C ZINC000639169103 430553486 /nfs/dbraw/zinc/55/34/86/430553486.db2.gz CFGCFPHFZBKIMX-UHFFFAOYSA-N 1 3 321.534 2.824 20 0 DFADHO Cn1ccnc1[C@H](C1CC1)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639176482 430557085 /nfs/dbraw/zinc/55/70/85/430557085.db2.gz HVCGXSNCFMCGBT-IRXDYDNUSA-N 1 3 302.466 2.535 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000639180278 430557919 /nfs/dbraw/zinc/55/79/19/430557919.db2.gz WDOONZKUVDOURU-OTWHNJEPSA-N 1 3 302.462 2.660 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000639180278 430557921 /nfs/dbraw/zinc/55/79/21/430557921.db2.gz WDOONZKUVDOURU-OTWHNJEPSA-N 1 3 302.462 2.660 20 0 DFADHO CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000639177767 430559708 /nfs/dbraw/zinc/55/97/08/430559708.db2.gz WTNBWQMHHDFPMV-UXHICEINSA-N 1 3 316.489 2.908 20 0 DFADHO CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000639177767 430559711 /nfs/dbraw/zinc/55/97/11/430559711.db2.gz WTNBWQMHHDFPMV-UXHICEINSA-N 1 3 316.489 2.908 20 0 DFADHO C[C@@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccncc1Cl ZINC000643346177 430588062 /nfs/dbraw/zinc/58/80/62/430588062.db2.gz GTIWAWFKASKGQK-ZIAGYGMSSA-N 1 3 322.884 2.554 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000570928315 430589794 /nfs/dbraw/zinc/58/97/94/430589794.db2.gz CMOUCUHGBSFOOX-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO C[N@@H+]1C[C@@H](CNCc2ccc(CO)cc2)[C@H](c2ccccc2)C1 ZINC000639285231 430597853 /nfs/dbraw/zinc/59/78/53/430597853.db2.gz CAIMHZBUDVCCFC-UXHICEINSA-N 1 3 310.441 2.614 20 0 DFADHO C[N@H+]1C[C@@H](CNCc2ccc(CO)cc2)[C@H](c2ccccc2)C1 ZINC000639285231 430597857 /nfs/dbraw/zinc/59/78/57/430597857.db2.gz CAIMHZBUDVCCFC-UXHICEINSA-N 1 3 310.441 2.614 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000554714544 430650416 /nfs/dbraw/zinc/65/04/16/430650416.db2.gz BYWKFWWZUNOURA-JEDBISTDSA-N 1 3 300.446 2.531 20 0 DFADHO Cc1ccc(NC(=O)CCN[C@@H](CC[NH+](C)C)C(C)(C)C)nc1 ZINC000571754163 430650664 /nfs/dbraw/zinc/65/06/64/430650664.db2.gz KIVHTKXCNPYVJC-HNNXBMFYSA-N 1 3 320.481 2.675 20 0 DFADHO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCCC[C@@H]3CN)c2c1 ZINC000643453946 430603186 /nfs/dbraw/zinc/60/31/86/430603186.db2.gz NKGFZJYWRDKQTO-CXAGYDPISA-N 1 3 301.434 2.826 20 0 DFADHO CCN(Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1)C1CC1 ZINC000571101778 430603353 /nfs/dbraw/zinc/60/33/53/430603353.db2.gz CSLSMLYPMLIFHI-RHSMWYFYSA-N 1 3 315.461 2.623 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462719 430604245 /nfs/dbraw/zinc/60/42/45/430604245.db2.gz CQLXXVPSLZQNFY-BJJXKVORSA-N 1 3 309.404 2.651 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462719 430604247 /nfs/dbraw/zinc/60/42/47/430604247.db2.gz CQLXXVPSLZQNFY-BJJXKVORSA-N 1 3 309.404 2.651 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)[C@H]1CCCNC1 ZINC000643459102 430604695 /nfs/dbraw/zinc/60/46/95/430604695.db2.gz WBJSKBVINTWMNX-GJZGRUSLSA-N 1 3 318.461 2.713 20 0 DFADHO C[C@H](NCC(C)(C)c1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000643459102 430604697 /nfs/dbraw/zinc/60/46/97/430604697.db2.gz WBJSKBVINTWMNX-GJZGRUSLSA-N 1 3 318.461 2.713 20 0 DFADHO C[C@H](NCCCc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000643469445 430605417 /nfs/dbraw/zinc/60/54/17/430605417.db2.gz WEVUGOSFPXMUKA-JSGCOSHPSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(-n3cnnn3)c2)cc1 ZINC000643513899 430611041 /nfs/dbraw/zinc/61/10/41/430611041.db2.gz IUWRRSIVZXUCNZ-KGLIPLIRSA-N 1 3 322.416 2.533 20 0 DFADHO C[C@@H](N)C[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000643528372 430613165 /nfs/dbraw/zinc/61/31/65/430613165.db2.gz IHMXCJKTEUSERX-HUUCEWRRSA-N 1 3 324.428 2.911 20 0 DFADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(-n2ccnn2)c1 ZINC000643523727 430613373 /nfs/dbraw/zinc/61/33/73/430613373.db2.gz MCYNJAJIUPXSCX-CQSZACIVSA-N 1 3 319.412 2.721 20 0 DFADHO c1c2c(nn1-c1ccccc1)CCC[C@@H]2N[C@@H]1CC12CC[NH2+]CC2 ZINC000643536666 430613880 /nfs/dbraw/zinc/61/38/80/430613880.db2.gz UJKAUXKJCDRVLY-PKOBYXMFSA-N 1 3 322.456 2.981 20 0 DFADHO Cc1noc(C2CCC([NH2+][C@@H]3CCNC4(CCC4)C3)CC2)n1 ZINC000643548534 430615972 /nfs/dbraw/zinc/61/59/72/430615972.db2.gz QNHOLMVWEABFFI-YMAMQOFZSA-N 1 3 304.438 2.669 20 0 DFADHO Cc1cccc(OC[C@H](O)C[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC000571636880 430642166 /nfs/dbraw/zinc/64/21/66/430642166.db2.gz UDYDCYNAVLFBAF-QZTJIDSGSA-N 1 3 320.477 2.589 20 0 DFADHO COc1ccccc1OCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000571669403 430644761 /nfs/dbraw/zinc/64/47/61/430644761.db2.gz LCZSHEVNKFFNPA-YESZJQIVSA-N 1 3 318.461 2.974 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)c1ccsc1 ZINC000572123281 430673150 /nfs/dbraw/zinc/67/31/50/430673150.db2.gz HFWWBAZFAWVHPQ-JKSUJKDBSA-N 1 3 323.506 2.779 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)CCN1Cc1ccccc1 ZINC000353652341 278028885 /nfs/dbraw/zinc/02/88/85/278028885.db2.gz WIOCEMDAIJCGAC-KBAYOESNSA-N 1 3 324.472 2.910 20 0 DFADHO C[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000247381117 278150779 /nfs/dbraw/zinc/15/07/79/278150779.db2.gz UHRBKIQXRTXHQJ-OWCLPIDISA-N 1 3 321.509 2.771 20 0 DFADHO CCCN(CCCc1cncn1C)CC[NH+]1CCCCCC1 ZINC000572613539 430692682 /nfs/dbraw/zinc/69/26/82/430692682.db2.gz FWBMADCMRKBRFG-UHFFFAOYSA-N 1 3 306.498 2.941 20 0 DFADHO CN1CCN(CCCC[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000556837500 430693970 /nfs/dbraw/zinc/69/39/70/430693970.db2.gz HTEBEUVKHAIAOQ-SNAWJCMRSA-N 1 3 323.431 2.595 20 0 DFADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000572678023 430694366 /nfs/dbraw/zinc/69/43/66/430694366.db2.gz FSYAPOYWTRDCDH-MJGOQNOKSA-N 1 3 313.445 2.510 20 0 DFADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@@]1(O)CC[N@H+](C)C1 ZINC000572678023 430694367 /nfs/dbraw/zinc/69/43/67/430694367.db2.gz FSYAPOYWTRDCDH-MJGOQNOKSA-N 1 3 313.445 2.510 20 0 DFADHO C[C@H](c1ccccc1)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367117327 278310705 /nfs/dbraw/zinc/31/07/05/278310705.db2.gz NZDDJPBTGHXGFK-APWZRJJASA-N 1 3 301.478 2.848 20 0 DFADHO C[C@H](c1ccccc1)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367117327 278310706 /nfs/dbraw/zinc/31/07/06/278310706.db2.gz NZDDJPBTGHXGFK-APWZRJJASA-N 1 3 301.478 2.848 20 0 DFADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)(C)n1cncn1 ZINC000377086790 278335515 /nfs/dbraw/zinc/33/55/15/278335515.db2.gz PMPQAMIWJLXTSP-OAHLLOKOSA-N 1 3 319.497 2.788 20 0 DFADHO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)C(C)(C)n1cncn1 ZINC000377086790 278335517 /nfs/dbraw/zinc/33/55/17/278335517.db2.gz PMPQAMIWJLXTSP-OAHLLOKOSA-N 1 3 319.497 2.788 20 0 DFADHO Cc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c2ccccc2n1 ZINC000664598241 430702832 /nfs/dbraw/zinc/70/28/32/430702832.db2.gz GFQKIUOMQZIIOD-INIZCTEOSA-N 1 3 311.429 2.579 20 0 DFADHO Cc1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c2ccccc2n1 ZINC000664598241 430702835 /nfs/dbraw/zinc/70/28/35/430702835.db2.gz GFQKIUOMQZIIOD-INIZCTEOSA-N 1 3 311.429 2.579 20 0 DFADHO CC(C)(C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H](N)c1ccccc1 ZINC000648187450 430703247 /nfs/dbraw/zinc/70/32/47/430703247.db2.gz QJDVIOGTIUFJDZ-HOTGVXAUSA-N 1 3 315.461 2.504 20 0 DFADHO CN1CCN(CCCC[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000644375787 430726031 /nfs/dbraw/zinc/72/60/31/430726031.db2.gz SUDGDFBTEZMCAO-UHFFFAOYSA-N 1 3 315.505 2.683 20 0 DFADHO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)CCO1 ZINC000648427708 430782026 /nfs/dbraw/zinc/78/20/26/430782026.db2.gz OQAMPUBBCFHZBJ-IAGOWNOFSA-N 1 3 306.450 2.674 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]CCCc2ccco2)cc1 ZINC000657780623 430732970 /nfs/dbraw/zinc/73/29/70/430732970.db2.gz UXLFLFLGDMXPFA-UHFFFAOYSA-N 1 3 302.418 2.942 20 0 DFADHO CCc1nn(C)c(CC)c1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657813711 430743268 /nfs/dbraw/zinc/74/32/68/430743268.db2.gz YINPRPUYGGIDFK-UHFFFAOYSA-N 1 3 318.509 2.757 20 0 DFADHO O=C(CC[NH2+]C[C@H]1CCN(C2CC2)C1)Nc1cccc(Cl)c1 ZINC000644531746 430745225 /nfs/dbraw/zinc/74/52/25/430745225.db2.gz AXHHLEVRHQBGAO-CYBMUJFWSA-N 1 3 321.852 2.743 20 0 DFADHO O=C(CCNC[C@H]1CC[N@@H+](C2CC2)C1)Nc1cccc(Cl)c1 ZINC000644531746 430745229 /nfs/dbraw/zinc/74/52/29/430745229.db2.gz AXHHLEVRHQBGAO-CYBMUJFWSA-N 1 3 321.852 2.743 20 0 DFADHO O=C(CCNC[C@H]1CC[N@H+](C2CC2)C1)Nc1cccc(Cl)c1 ZINC000644531746 430745233 /nfs/dbraw/zinc/74/52/33/430745233.db2.gz AXHHLEVRHQBGAO-CYBMUJFWSA-N 1 3 321.852 2.743 20 0 DFADHO COC[C@@H](CC1CCOCC1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000657827359 430746073 /nfs/dbraw/zinc/74/60/73/430746073.db2.gz ZIZAUIWDANSDQL-OAHLLOKOSA-N 1 3 312.498 2.717 20 0 DFADHO COC[C@@H](CC1CCOCC1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000657827359 430746079 /nfs/dbraw/zinc/74/60/79/430746079.db2.gz ZIZAUIWDANSDQL-OAHLLOKOSA-N 1 3 312.498 2.717 20 0 DFADHO CC(C)[C@H](NC[C@H](O)C[NH+](C)C)c1ccc2c(c1)CCCC2 ZINC000657876635 430758661 /nfs/dbraw/zinc/75/86/61/430758661.db2.gz YRKNEUDWUJGECA-OALUTQOASA-N 1 3 304.478 2.775 20 0 DFADHO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)CCO1 ZINC000648427709 430783584 /nfs/dbraw/zinc/78/35/84/430783584.db2.gz OQAMPUBBCFHZBJ-IRXDYDNUSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cc2cnccc2o1 ZINC000657882125 430760961 /nfs/dbraw/zinc/76/09/61/430760961.db2.gz XUJQKOANILJVSH-HOCLYGCPSA-N 1 3 317.433 2.715 20 0 DFADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cc2cnccc2o1 ZINC000657882125 430760965 /nfs/dbraw/zinc/76/09/65/430760965.db2.gz XUJQKOANILJVSH-HOCLYGCPSA-N 1 3 317.433 2.715 20 0 DFADHO COC[C@H](CC1CCOCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000657899947 430763595 /nfs/dbraw/zinc/76/35/95/430763595.db2.gz DZNPXEVESJZIDH-SFHVURJKSA-N 1 3 324.509 2.815 20 0 DFADHO CC(C)[NH+]1CCC(O)(CN[C@H](C)c2cc3cnccc3o2)CC1 ZINC000657907250 430765598 /nfs/dbraw/zinc/76/55/98/430765598.db2.gz HNXYHSFVGSAAQI-CQSZACIVSA-N 1 3 317.433 2.714 20 0 DFADHO CCOC1CCC([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000657918431 430766773 /nfs/dbraw/zinc/76/67/73/430766773.db2.gz CIELTDSVSYGMJP-VYMRPNJYSA-N 1 3 312.498 2.813 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+]C[C@H](O)C(C)(C)C)cc2)CC1 ZINC000644641938 430778797 /nfs/dbraw/zinc/77/87/97/430778797.db2.gz AOSILJMFTCYLHO-SFHVURJKSA-N 1 3 320.477 2.656 20 0 DFADHO COc1ccccc1[C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106301 430812905 /nfs/dbraw/zinc/81/29/05/430812905.db2.gz BBKQJTYJUHZZTG-JKSUJKDBSA-N 1 3 307.482 2.618 20 0 DFADHO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658136226 430820731 /nfs/dbraw/zinc/82/07/31/430820731.db2.gz CIZLFJYQXHJIGD-QYZOEREBSA-N 1 3 302.462 2.922 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3CCF)cc2)C1 ZINC000658134925 430820797 /nfs/dbraw/zinc/82/07/97/430820797.db2.gz CFNAYMITCUVYDN-IPMKNSEASA-N 1 3 320.452 2.871 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)cc2)C1 ZINC000658134342 430820994 /nfs/dbraw/zinc/82/09/94/430820994.db2.gz AKJPYQBCHXMBSA-AQNXPRMDSA-N 1 3 314.473 2.922 20 0 DFADHO c1cc(CN2CCC(C[NH2+][C@@H]3COC4(CCC4)C3)CC2)ccn1 ZINC000658162096 430831341 /nfs/dbraw/zinc/83/13/41/430831341.db2.gz BQNMCBDDNBOOGM-SFHVURJKSA-N 1 3 315.461 2.595 20 0 DFADHO CCC1(CC)CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000661675404 430800973 /nfs/dbraw/zinc/80/09/73/430800973.db2.gz VVEOMCVGTCUYQG-UHFFFAOYSA-N 1 3 323.525 2.878 20 0 DFADHO COC[C@H](CC[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)OC ZINC000658085429 430805310 /nfs/dbraw/zinc/80/53/10/430805310.db2.gz XFBPAFRTGVWVJE-NJAFHUGGSA-N 1 3 312.498 2.671 20 0 DFADHO COC[C@H](CCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)OC ZINC000658085429 430805315 /nfs/dbraw/zinc/80/53/15/430805315.db2.gz XFBPAFRTGVWVJE-NJAFHUGGSA-N 1 3 312.498 2.671 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H]2CCN(C3CCCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000658230493 430845623 /nfs/dbraw/zinc/84/56/23/430845623.db2.gz ZEJLJSIFPJYKBF-BVBHFADKSA-N 1 3 305.510 2.856 20 0 DFADHO Cc1cc(F)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665200656 430853891 /nfs/dbraw/zinc/85/38/91/430853891.db2.gz BUIDOIOSJQLKOI-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO Cc1cc(F)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665200656 430853892 /nfs/dbraw/zinc/85/38/92/430853892.db2.gz BUIDOIOSJQLKOI-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO C[C@@H]([NH2+]CC1CCC(O)CC1)c1cccc(OCCN(C)C)c1 ZINC000658282650 430860493 /nfs/dbraw/zinc/86/04/93/430860493.db2.gz BTSVQMPICLRATP-KLHKWILBSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@@H]1[C@@H]([NH2+]CC2(N)CCCC2)CCCN1Cc1ccccc1 ZINC000665247002 430868244 /nfs/dbraw/zinc/86/82/44/430868244.db2.gz SXUOURINBSFMJT-AEFFLSMTSA-N 1 3 301.478 2.901 20 0 DFADHO C[C@@H]1[C@@H](NCC2([NH3+])CCCC2)CCCN1Cc1ccccc1 ZINC000665247002 430868249 /nfs/dbraw/zinc/86/82/49/430868249.db2.gz SXUOURINBSFMJT-AEFFLSMTSA-N 1 3 301.478 2.901 20 0 DFADHO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@@H]1CCCOC1 ZINC000665254174 430869673 /nfs/dbraw/zinc/86/96/73/430869673.db2.gz JFYWGFUYEMOLGC-MOIQIXESSA-N 1 3 306.425 2.676 20 0 DFADHO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCCOC1 ZINC000665253334 430869927 /nfs/dbraw/zinc/86/99/27/430869927.db2.gz OASCIALIURPWCI-SCFUHWHPSA-N 1 3 324.415 2.815 20 0 DFADHO C[C@@H](CCCCO)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253135 430870724 /nfs/dbraw/zinc/87/07/24/430870724.db2.gz HWELABXLZNZYOV-DXCKQFNASA-N 1 3 312.404 2.551 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294195 430889428 /nfs/dbraw/zinc/88/94/28/430889428.db2.gz JYVBQVLMEGZQBC-HDMKZQKVSA-N 1 3 306.450 2.598 20 0 DFADHO C[C@@H](NCC1(Cc2ccc(Br)cc2)CC1)C1C[NH2+]C1 ZINC000665265248 430874039 /nfs/dbraw/zinc/87/40/39/430874039.db2.gz SWLXLNFCPAIYJB-GFCCVEGCSA-N 1 3 323.278 2.969 20 0 DFADHO C[C@@H]([NH2+]CC1(Cc2ccc(Br)cc2)CC1)C1CNC1 ZINC000665265248 430874042 /nfs/dbraw/zinc/87/40/42/430874042.db2.gz SWLXLNFCPAIYJB-GFCCVEGCSA-N 1 3 323.278 2.969 20 0 DFADHO Brc1ccc2c(c1)CC[C@H]([NH2+]CC13CC(C1)CN3)C2 ZINC000665276366 430879150 /nfs/dbraw/zinc/87/91/50/430879150.db2.gz AZDUWXUUPQDURS-AJQRCPHMSA-N 1 3 321.262 2.648 20 0 DFADHO C[NH+](C)CCOc1ccc(CN2CCSC[C@@H]2C2CC2)cc1 ZINC000648752518 430879900 /nfs/dbraw/zinc/87/99/00/430879900.db2.gz JXLPOXSILVAICE-GOSISDBHSA-N 1 3 320.502 2.954 20 0 DFADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000665280730 430881917 /nfs/dbraw/zinc/88/19/17/430881917.db2.gz JVNGGHJRTNGBHQ-IUODEOHRSA-N 1 3 303.450 2.940 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658349915 430882638 /nfs/dbraw/zinc/88/26/38/430882638.db2.gz VPLRAMHVBLLZNM-NEWSRXKRSA-N 1 3 301.478 2.581 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H]2CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658349915 430882640 /nfs/dbraw/zinc/88/26/40/430882640.db2.gz VPLRAMHVBLLZNM-NEWSRXKRSA-N 1 3 301.478 2.581 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@H]2CCN2Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000658349386 430883043 /nfs/dbraw/zinc/88/30/43/430883043.db2.gz SVZPXQYWQNXAJT-YRPNKDGESA-N 1 3 313.489 2.723 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@H]2CCN2Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000658349386 430883045 /nfs/dbraw/zinc/88/30/45/430883045.db2.gz SVZPXQYWQNXAJT-YRPNKDGESA-N 1 3 313.489 2.723 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+](C)[C@H](CO)CC(C)(C)C)cc1 ZINC000648781845 430888276 /nfs/dbraw/zinc/88/82/76/430888276.db2.gz VCQLARJICFCMCR-KRWDZBQOSA-N 1 3 322.493 2.856 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+](C)[C@H](CO)CC(C)(C)C)cc1 ZINC000648781845 430888285 /nfs/dbraw/zinc/88/82/85/430888285.db2.gz VCQLARJICFCMCR-KRWDZBQOSA-N 1 3 322.493 2.856 20 0 DFADHO [NH3+]CC1CCC(N[C@H]2CCc3ccccc3-n3ccnc32)CC1 ZINC000665299881 430891583 /nfs/dbraw/zinc/89/15/83/430891583.db2.gz UYHLKSWJIQWFIW-PREGVCBESA-N 1 3 310.445 2.967 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000648794061 430892839 /nfs/dbraw/zinc/89/28/39/430892839.db2.gz LLKMOWMUTYMZJE-KRWDZBQOSA-N 1 3 320.477 2.610 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000648794061 430892843 /nfs/dbraw/zinc/89/28/43/430892843.db2.gz LLKMOWMUTYMZJE-KRWDZBQOSA-N 1 3 320.477 2.610 20 0 DFADHO CO[C@H]([C@H](C)[NH2+]Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000648797000 430895813 /nfs/dbraw/zinc/89/58/13/430895813.db2.gz CGVKBEOINOESOW-KBXCAEBGSA-N 1 3 306.450 2.530 20 0 DFADHO Fc1cccn2cc(CNCCCCC[NH+]3CCCC3)nc12 ZINC000645200007 430933860 /nfs/dbraw/zinc/93/38/60/430933860.db2.gz YDHREKNRQBKYLM-UHFFFAOYSA-N 1 3 304.413 2.829 20 0 DFADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)CN2CCC(C)CC2)c1 ZINC000659019905 430942346 /nfs/dbraw/zinc/94/23/46/430942346.db2.gz UDRFVRFOCRGXCI-HNNXBMFYSA-N 1 3 318.465 2.648 20 0 DFADHO C[NH2+]Cc1cccc(NC(=O)N[C@H](C)CN2CCC(C)CC2)c1 ZINC000659019906 430942382 /nfs/dbraw/zinc/94/23/82/430942382.db2.gz UDRFVRFOCRGXCI-OAHLLOKOSA-N 1 3 318.465 2.648 20 0 DFADHO COc1ccc(-c2cc(CN3CCC(C[NH3+])CC3)on2)cc1 ZINC000662236408 431007768 /nfs/dbraw/zinc/00/77/68/431007768.db2.gz XKRGQFRSNVLZFS-UHFFFAOYSA-N 1 3 301.390 2.521 20 0 DFADHO CC(C)C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(F)cc1 ZINC000652143219 430971030 /nfs/dbraw/zinc/97/10/30/430971030.db2.gz SJGFMHCAPTUYHQ-MSOLQXFVSA-N 1 3 308.441 2.959 20 0 DFADHO c1ccc(C(NC[C@H]2CCC3(C[NH2+]C3)O2)c2ccccc2)cc1 ZINC000662258570 431020458 /nfs/dbraw/zinc/02/04/58/431020458.db2.gz KKIWEKZGHSFAJG-GOSISDBHSA-N 1 3 308.425 2.887 20 0 DFADHO Cc1cc(C)n([C@@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000652339211 431025921 /nfs/dbraw/zinc/02/59/21/431025921.db2.gz IBOMJNCIMZPBHQ-HXUWFJFHSA-N 1 3 324.472 2.983 20 0 DFADHO Fc1cccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1OC(F)F ZINC000662273003 431027954 /nfs/dbraw/zinc/02/79/54/431027954.db2.gz JGPAWXFRWBIPPV-TXEJJXNPSA-N 1 3 314.351 2.859 20 0 DFADHO C[C@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)[C@@H]1CCN ZINC000652354746 431030915 /nfs/dbraw/zinc/03/09/15/431030915.db2.gz HFQPJEVXEBSWBU-GOEBONIOSA-N 1 3 320.433 2.634 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)[C@@H]1CCN ZINC000652354746 431030919 /nfs/dbraw/zinc/03/09/19/431030919.db2.gz HFQPJEVXEBSWBU-GOEBONIOSA-N 1 3 320.433 2.634 20 0 DFADHO C[C@H]1CCCN(CCCOc2ccc3c(c2)OCO3)[C@@H]1CC[NH3+] ZINC000652354746 431030924 /nfs/dbraw/zinc/03/09/24/431030924.db2.gz HFQPJEVXEBSWBU-GOEBONIOSA-N 1 3 320.433 2.634 20 0 DFADHO c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@H](N4CCNCC4)C3)C2)cc1 ZINC000662277636 431031001 /nfs/dbraw/zinc/03/10/01/431031001.db2.gz RAEYHOFLWFZDPK-RLLQIKCJSA-N 1 3 313.489 2.550 20 0 DFADHO c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@H](N4CCNCC4)C3)C2)cc1 ZINC000662277636 431031004 /nfs/dbraw/zinc/03/10/04/431031004.db2.gz RAEYHOFLWFZDPK-RLLQIKCJSA-N 1 3 313.489 2.550 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCOc2ccccc2F)C1 ZINC000652360376 431032239 /nfs/dbraw/zinc/03/22/39/431032239.db2.gz GHQGYXWWULHCAT-KYJSFNMBSA-N 1 3 322.424 2.565 20 0 DFADHO c1cc(CN2CCC[C@H](OC3CCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662283684 431032337 /nfs/dbraw/zinc/03/23/37/431032337.db2.gz JJXUNEAAOGNPLB-SFHVURJKSA-N 1 3 300.446 2.866 20 0 DFADHO CC(C)([NH3+])CCC(=O)NCc1ccccc1CN1CCCCC1 ZINC000649282282 431055765 /nfs/dbraw/zinc/05/57/65/431055765.db2.gz QXCYZFWDBWCRSS-UHFFFAOYSA-N 1 3 317.477 2.806 20 0 DFADHO CC(C)([NH3+])CCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000649293801 431056990 /nfs/dbraw/zinc/05/69/90/431056990.db2.gz JDYFRPJMRSHZFT-QGZVFWFLSA-N 1 3 317.477 2.847 20 0 DFADHO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000649315177 431064791 /nfs/dbraw/zinc/06/47/91/431064791.db2.gz RFZXLQJABORGCU-HNNXBMFYSA-N 1 3 318.465 2.505 20 0 DFADHO CN(Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249216 431013433 /nfs/dbraw/zinc/01/34/33/431013433.db2.gz JRQMBZPEBHYILF-GFCCVEGCSA-N 1 3 315.244 2.946 20 0 DFADHO O=C(C[C@H]1NCc2ccccc21)NCC[NH2+]C1CCCCCC1 ZINC000659292277 431014171 /nfs/dbraw/zinc/01/41/71/431014171.db2.gz AETSGEGUFLRYLI-GOSISDBHSA-N 1 3 315.461 2.650 20 0 DFADHO CC(C)[C@H](CNC(=O)C1(N)CC2(CCC2)C1)[NH+]1CCC(C)CC1 ZINC000659293006 431014360 /nfs/dbraw/zinc/01/43/60/431014360.db2.gz TYXZOWKCMYKDGD-INIZCTEOSA-N 1 3 321.509 2.521 20 0 DFADHO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000662249925 431015276 /nfs/dbraw/zinc/01/52/76/431015276.db2.gz VLICTKVZKJHBQI-MAUKXSAKSA-N 1 3 300.446 2.808 20 0 DFADHO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000662249925 431015280 /nfs/dbraw/zinc/01/52/80/431015280.db2.gz VLICTKVZKJHBQI-MAUKXSAKSA-N 1 3 300.446 2.808 20 0 DFADHO Clc1ccc(CN(C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662250281 431016999 /nfs/dbraw/zinc/01/69/99/431016999.db2.gz DAZHTVIBLHNIIK-MRXNPFEDSA-N 1 3 306.837 2.825 20 0 DFADHO C[C@@H]1C[N@H+](C[C@@H]2CCC3(CNC3)O2)CC[C@H]1c1ccccc1 ZINC000662257538 431018836 /nfs/dbraw/zinc/01/88/36/431018836.db2.gz POTRFTZIJIJPKU-BPQIPLTHSA-N 1 3 300.446 2.633 20 0 DFADHO C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CNC3)O2)CC[C@H]1c1ccccc1 ZINC000662257538 431018841 /nfs/dbraw/zinc/01/88/41/431018841.db2.gz POTRFTZIJIJPKU-BPQIPLTHSA-N 1 3 300.446 2.633 20 0 DFADHO CCN(CCC[NH+](CC)CC)C(=O)c1cc2c(s1)CCNC2 ZINC000662535420 431108865 /nfs/dbraw/zinc/10/88/65/431108865.db2.gz REXNQZBRHIAUKU-UHFFFAOYSA-N 1 3 323.506 2.588 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000645927559 431117398 /nfs/dbraw/zinc/11/73/98/431117398.db2.gz SPUGYNZRLKEVSB-GDBMZVCRSA-N 1 3 305.466 2.605 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)C[C@@H]2NCc3ccccc32)c1 ZINC000662399235 431071254 /nfs/dbraw/zinc/07/12/54/431071254.db2.gz QFYYOFGBKPZKRI-SFHVURJKSA-N 1 3 309.413 2.969 20 0 DFADHO CN1CCC[C@H](CNC(=O)CCC(C)(C)[NH3+])[C@@H]1c1cccs1 ZINC000649340912 431071465 /nfs/dbraw/zinc/07/14/65/431071465.db2.gz AMILREJCCAWCOT-CZUORRHYSA-N 1 3 323.506 2.765 20 0 DFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1CNC2 ZINC000662428493 431078894 /nfs/dbraw/zinc/07/88/94/431078894.db2.gz CICPVJZLEQZAPS-MRXNPFEDSA-N 1 3 315.461 2.674 20 0 DFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1CNC2 ZINC000662428493 431078900 /nfs/dbraw/zinc/07/89/00/431078900.db2.gz CICPVJZLEQZAPS-MRXNPFEDSA-N 1 3 315.461 2.674 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000649378640 431081248 /nfs/dbraw/zinc/08/12/48/431081248.db2.gz PWUCBOIBZCNLED-MRXNPFEDSA-N 1 3 321.509 2.761 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000649378640 431081252 /nfs/dbraw/zinc/08/12/52/431081252.db2.gz PWUCBOIBZCNLED-MRXNPFEDSA-N 1 3 321.509 2.761 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000649378639 431081329 /nfs/dbraw/zinc/08/13/29/431081329.db2.gz PWUCBOIBZCNLED-INIZCTEOSA-N 1 3 321.509 2.761 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000649378639 431081334 /nfs/dbraw/zinc/08/13/34/431081334.db2.gz PWUCBOIBZCNLED-INIZCTEOSA-N 1 3 321.509 2.761 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655689055 431082342 /nfs/dbraw/zinc/08/23/42/431082342.db2.gz UELAQYOAZCFMMC-LJQANCHMSA-N 1 3 315.505 2.908 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662458461 431087714 /nfs/dbraw/zinc/08/77/14/431087714.db2.gz MKWZTHVWMWORHJ-SJLPKXTDSA-N 1 3 315.461 2.602 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662458461 431087722 /nfs/dbraw/zinc/08/77/22/431087722.db2.gz MKWZTHVWMWORHJ-SJLPKXTDSA-N 1 3 315.461 2.602 20 0 DFADHO CCc1ccccc1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655716613 431095847 /nfs/dbraw/zinc/09/58/47/431095847.db2.gz ZHKQOHOEEFWFGC-LJQANCHMSA-N 1 3 302.462 2.982 20 0 DFADHO CC(C)[NH+](CCCNC(=O)c1cc2c(s1)CCNC2)C(C)C ZINC000662486788 431096152 /nfs/dbraw/zinc/09/61/52/431096152.db2.gz RAWRCIUCCSFVSV-UHFFFAOYSA-N 1 3 323.506 2.633 20 0 DFADHO CCN(CCC[NH+](CC)CC)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662535841 431108371 /nfs/dbraw/zinc/10/83/71/431108371.db2.gz UVVFSUYQLSCSBA-SFHVURJKSA-N 1 3 317.477 2.801 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000662594454 431129173 /nfs/dbraw/zinc/12/91/73/431129173.db2.gz SSXIUSDRKVLYDU-HZPDHXFCSA-N 1 3 309.498 2.521 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000662594454 431129180 /nfs/dbraw/zinc/12/91/80/431129180.db2.gz SSXIUSDRKVLYDU-HZPDHXFCSA-N 1 3 309.498 2.521 20 0 DFADHO CC[N@H+](CC[C@@H]1CCCN1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000120621058 279212597 /nfs/dbraw/zinc/21/25/97/279212597.db2.gz FHWBPSFYSAIUJN-SFHVURJKSA-N 1 3 317.477 2.695 20 0 DFADHO CC[N@@H+](CC[C@@H]1CCCN1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000120621058 279212599 /nfs/dbraw/zinc/21/25/99/279212599.db2.gz FHWBPSFYSAIUJN-SFHVURJKSA-N 1 3 317.477 2.695 20 0 DFADHO CCN(C[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1)CC(F)(F)F ZINC000124944758 279221927 /nfs/dbraw/zinc/22/19/27/279221927.db2.gz PTNXZBYJELGRMM-GJZGRUSLSA-N 1 3 321.431 2.677 20 0 DFADHO CCN(C[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1)CC(F)(F)F ZINC000124944758 279221929 /nfs/dbraw/zinc/22/19/29/279221929.db2.gz PTNXZBYJELGRMM-GJZGRUSLSA-N 1 3 321.431 2.677 20 0 DFADHO CCN1CCCC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000354266423 279277697 /nfs/dbraw/zinc/27/76/97/279277697.db2.gz NMDURNVAMONPIO-ZWKOTPCHSA-N 1 3 317.477 2.588 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2[NH2+]CCC2(C)C)c1 ZINC000662684453 431163303 /nfs/dbraw/zinc/16/33/03/431163303.db2.gz ZECAAEWHBDUVRI-MRXNPFEDSA-N 1 3 303.450 2.855 20 0 DFADHO COCC1(C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000655818012 431163690 /nfs/dbraw/zinc/16/36/90/431163690.db2.gz PEZNCLHJVPIJQK-OAHLLOKOSA-N 1 3 306.450 2.704 20 0 DFADHO COCC1(C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000655817473 431164887 /nfs/dbraw/zinc/16/48/87/431164887.db2.gz LFMXFHOJTLBEGA-OAHLLOKOSA-N 1 3 306.450 2.704 20 0 DFADHO CCN(C(=O)CC1([NH3+])CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000662693874 431166062 /nfs/dbraw/zinc/16/60/62/431166062.db2.gz MKUQPRJFOBIGMI-RDJZCZTQSA-N 1 3 315.461 2.552 20 0 DFADHO CC(C)[NH2+]CCC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000646071465 431168043 /nfs/dbraw/zinc/16/80/43/431168043.db2.gz NWRIEGGBHWNMQJ-YOEHRIQHSA-N 1 3 323.506 2.635 20 0 DFADHO C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000655824565 431172516 /nfs/dbraw/zinc/17/25/16/431172516.db2.gz MENJAWLMNWCDQS-BJHJDKERSA-N 1 3 302.340 2.841 20 0 DFADHO COCC[C@H](c1ccccc1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105839 431188993 /nfs/dbraw/zinc/18/89/93/431188993.db2.gz JMHSTQXBCOHTAL-GOSISDBHSA-N 1 3 318.461 2.561 20 0 DFADHO C[NH+]1CCC2(CC1)CN(CCCCOc1ccccc1)CCO2 ZINC000646104507 431190322 /nfs/dbraw/zinc/19/03/22/431190322.db2.gz OOTCHUZJVLBVSL-UHFFFAOYSA-N 1 3 318.461 2.642 20 0 DFADHO CC(C)[C@@H]([NH3+])CC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000646014361 431148065 /nfs/dbraw/zinc/14/80/65/431148065.db2.gz CKFUGWYLNHLWQZ-QAPCUYQASA-N 1 3 317.477 2.702 20 0 DFADHO N[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662668546 431156212 /nfs/dbraw/zinc/15/62/12/431156212.db2.gz OOPFMQILKYVBRF-FUHWJXTLSA-N 1 3 315.461 2.600 20 0 DFADHO N[C@H](CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662668546 431156218 /nfs/dbraw/zinc/15/62/18/431156218.db2.gz OOPFMQILKYVBRF-FUHWJXTLSA-N 1 3 315.461 2.600 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662673448 431159188 /nfs/dbraw/zinc/15/91/88/431159188.db2.gz KZQIJXCSPJTBDA-SFHVURJKSA-N 1 3 315.461 2.552 20 0 DFADHO CCC[NH+]1CCC(N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000666353043 431203109 /nfs/dbraw/zinc/20/31/09/431203109.db2.gz QMDLBORNYOGXTC-OALUTQOASA-N 1 3 301.478 2.896 20 0 DFADHO CCCN1CCC([NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000666353043 431203113 /nfs/dbraw/zinc/20/31/13/431203113.db2.gz QMDLBORNYOGXTC-OALUTQOASA-N 1 3 301.478 2.896 20 0 DFADHO O[C@@H]1CCC[C@H]1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000660013406 431233468 /nfs/dbraw/zinc/23/34/68/431233468.db2.gz XEDAXKXARXRJBX-IYWMVGAKSA-N 1 3 314.473 2.886 20 0 DFADHO O[C@@H]1CCC[C@H]1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000660013406 431233478 /nfs/dbraw/zinc/23/34/78/431233478.db2.gz XEDAXKXARXRJBX-IYWMVGAKSA-N 1 3 314.473 2.886 20 0 DFADHO CN1CCC[C@@H](N2CC[NH+](C[C@@H]3CCCCC3(C)C)CC2)C1 ZINC000660074806 431258631 /nfs/dbraw/zinc/25/86/31/431258631.db2.gz QMAFGRSGJCZGEQ-ZWKOTPCHSA-N 1 3 307.526 2.915 20 0 DFADHO CO[C@H](CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C1CCCCC1 ZINC000660118442 431276567 /nfs/dbraw/zinc/27/65/67/431276567.db2.gz UYOOKTZGWVLOOS-INDMIFKZSA-N 1 3 324.509 2.765 20 0 DFADHO FC1(F)C[C@@H]1OCCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000660122390 431281560 /nfs/dbraw/zinc/28/15/60/431281560.db2.gz WKJFUFALXOTRCX-INIZCTEOSA-N 1 3 316.436 2.999 20 0 DFADHO CCC[NH2+][C@@H](C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646408829 431300772 /nfs/dbraw/zinc/30/07/72/431300772.db2.gz LRFJNOFXLUASIA-WMZOPIPTSA-N 1 3 317.477 2.718 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[NH2+]CC1)c1ccsc1 ZINC000653110063 431271456 /nfs/dbraw/zinc/27/14/56/431271456.db2.gz WSAPOBSQAVQRON-GOEBONIOSA-N 1 3 323.506 2.637 20 0 DFADHO C[C@@H]1C[NH+](CC2CCN(CCC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000369583408 288152847 /nfs/dbraw/zinc/15/28/47/288152847.db2.gz ILKOKSXJHKGVMW-CHWSQXEVSA-N 1 3 308.388 2.760 20 0 DFADHO CC(C)[C@@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253437 431336598 /nfs/dbraw/zinc/33/65/98/431336598.db2.gz UFOOOFABEIOLCB-MRXNPFEDSA-N 1 3 321.490 2.796 20 0 DFADHO COc1ccccc1C[C@@H](NC[C@H](O)C[N@H+](C)C(C)C)C(C)C ZINC000660257756 431345841 /nfs/dbraw/zinc/34/58/41/431345841.db2.gz WSSSPTZPBPRXCC-ZWKOTPCHSA-N 1 3 322.493 2.553 20 0 DFADHO COc1ccccc1C[C@@H](NC[C@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000660257756 431345846 /nfs/dbraw/zinc/34/58/46/431345846.db2.gz WSSSPTZPBPRXCC-ZWKOTPCHSA-N 1 3 322.493 2.553 20 0 DFADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@@]1(C)Cc1ccccc1 ZINC000660291147 431363002 /nfs/dbraw/zinc/36/30/02/431363002.db2.gz VLWGRKDKHFPANM-MOPGFXCFSA-N 1 3 304.478 2.785 20 0 DFADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@@]1(C)Cc1ccccc1 ZINC000660291147 431363008 /nfs/dbraw/zinc/36/30/08/431363008.db2.gz VLWGRKDKHFPANM-MOPGFXCFSA-N 1 3 304.478 2.785 20 0 DFADHO COc1cccc(CN[C@@H]2CC23CC[NH2+]CC3)c1OC(C)C ZINC000666950790 431419230 /nfs/dbraw/zinc/41/92/30/431419230.db2.gz HZPUBHQYOGKNAG-MRXNPFEDSA-N 1 3 304.434 2.714 20 0 DFADHO c1ccc(OCc2cccnc2)c(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666954517 431422340 /nfs/dbraw/zinc/42/23/40/431422340.db2.gz XCAAFRJOVJZFOQ-LJQANCHMSA-N 1 3 323.440 2.892 20 0 DFADHO COc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)c(Cl)c1OC ZINC000666952104 431422915 /nfs/dbraw/zinc/42/29/15/431422915.db2.gz GDPGUQDHLXXVKZ-CYBMUJFWSA-N 1 3 310.825 2.589 20 0 DFADHO C[C@H](CNCCC(=O)N(C)c1ccccc1)C[NH+]1CCCCC1 ZINC000663357285 431381962 /nfs/dbraw/zinc/38/19/62/431381962.db2.gz ILLIYTVZMGRYIA-QGZVFWFLSA-N 1 3 317.477 2.751 20 0 DFADHO C[C@H](C[NH2+]CCC(=O)N(C)c1ccccc1)CN1CCCCC1 ZINC000663357285 431381970 /nfs/dbraw/zinc/38/19/70/431381970.db2.gz ILLIYTVZMGRYIA-QGZVFWFLSA-N 1 3 317.477 2.751 20 0 DFADHO CN(C(=O)CCN[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC000663360572 431385317 /nfs/dbraw/zinc/38/53/17/431385317.db2.gz XMICFNWTGQQFBE-KRWDZBQOSA-N 1 3 319.493 2.996 20 0 DFADHO CC[C@@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000663369225 431390478 /nfs/dbraw/zinc/39/04/78/431390478.db2.gz ZESZMGJRWMQRDA-QZTJIDSGSA-N 1 3 302.462 2.649 20 0 DFADHO C[C@@H](NCc1cnccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000663475376 431437302 /nfs/dbraw/zinc/43/73/02/431437302.db2.gz WQRDGKSZUPZVCS-LLVKDONJSA-N 1 3 301.356 2.920 20 0 DFADHO CN(CCC[NH+]1CCCC1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660463709 431442071 /nfs/dbraw/zinc/44/20/71/431442071.db2.gz GBBRLQNAKHMWMJ-QGZVFWFLSA-N 1 3 323.525 2.689 20 0 DFADHO CCc1ccccc1[C@H](N)CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000647084391 431455793 /nfs/dbraw/zinc/45/57/93/431455793.db2.gz WPVZNUQWDGXZGG-SJLPKXTDSA-N 1 3 317.477 2.630 20 0 DFADHO CCc1ccccc1[C@H](N)CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000647084391 431455803 /nfs/dbraw/zinc/45/58/03/431455803.db2.gz WPVZNUQWDGXZGG-SJLPKXTDSA-N 1 3 317.477 2.630 20 0 DFADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C12CCC2 ZINC000663468554 431435330 /nfs/dbraw/zinc/43/53/30/431435330.db2.gz MBYYMOXIYHDUCV-NRSFXHEJSA-N 1 3 306.494 2.902 20 0 DFADHO CN1CC[C@]2(CC[N@H+](CCc3ccc4c(c3)OC(F)(F)O4)C2)C1 ZINC000660614790 431516803 /nfs/dbraw/zinc/51/68/03/431516803.db2.gz AFQCWTYFKQLUNH-INIZCTEOSA-N 1 3 324.371 2.578 20 0 DFADHO CN1CC[C@]2(CC[N@@H+](CCc3ccc4c(c3)OC(F)(F)O4)C2)C1 ZINC000660614790 431516808 /nfs/dbraw/zinc/51/68/08/431516808.db2.gz AFQCWTYFKQLUNH-INIZCTEOSA-N 1 3 324.371 2.578 20 0 DFADHO CCN(C)c1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656783357 431519378 /nfs/dbraw/zinc/51/93/78/431519378.db2.gz PWJALFULLALBTF-GOSISDBHSA-N 1 3 316.493 2.749 20 0 DFADHO COc1cc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000656784326 431520036 /nfs/dbraw/zinc/52/00/36/431520036.db2.gz COFCIYYGUMCZBX-QGZVFWFLSA-N 1 3 318.461 2.915 20 0 DFADHO COc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c(OC)c1 ZINC000656785949 431522605 /nfs/dbraw/zinc/52/26/05/431522605.db2.gz NTNFYJXUFYOCCX-MRXNPFEDSA-N 1 3 318.461 2.915 20 0 DFADHO C[C@H](NC[C@H]1CCN(c2ccccc2Cl)C1)[C@H]1CC[NH2+]C1 ZINC000656787596 431523113 /nfs/dbraw/zinc/52/31/13/431523113.db2.gz OJZZRGBSALXRME-ZNMIVQPWSA-N 1 3 307.869 2.754 20 0 DFADHO C[C@H](NC[C@@H]1CCN(c2ccccc2Cl)C1)[C@H]1CC[NH2+]C1 ZINC000656787593 431523844 /nfs/dbraw/zinc/52/38/44/431523844.db2.gz OJZZRGBSALXRME-KKUMJFAQSA-N 1 3 307.869 2.754 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(N)CCCC1 ZINC000656788810 431526598 /nfs/dbraw/zinc/52/65/98/431526598.db2.gz CRMYBHMNIVRPAZ-CQSZACIVSA-N 1 3 303.450 2.827 20 0 DFADHO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284353790 279918438 /nfs/dbraw/zinc/91/84/38/279918438.db2.gz MMLSLGHFEDUJOI-KXBFYZLASA-N 1 3 318.461 2.674 20 0 DFADHO CCCN1CCC([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)CC1 ZINC000647344625 431558997 /nfs/dbraw/zinc/55/89/97/431558997.db2.gz VTDHRHDAOQUSAC-QUCCMNQESA-N 1 3 315.505 2.796 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661313 431534443 /nfs/dbraw/zinc/53/44/43/431534443.db2.gz CFKZDEFYOGGNJG-QRQLOZEOSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661313 431534446 /nfs/dbraw/zinc/53/44/46/431534446.db2.gz CFKZDEFYOGGNJG-QRQLOZEOSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(C)C3(CCCCC3)C2)C1 ZINC000660673391 431545562 /nfs/dbraw/zinc/54/55/62/431545562.db2.gz SJVOTROXZXKESR-QZTJIDSGSA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)[C@@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)c2ccccc21 ZINC000278793788 280031560 /nfs/dbraw/zinc/03/15/60/280031560.db2.gz QOQSUKPLRXHMAH-ROUUACIJSA-N 1 3 302.462 2.917 20 0 DFADHO CC[C@@H](Cc1ccccc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128491563 280162258 /nfs/dbraw/zinc/16/22/58/280162258.db2.gz ZMHPDOZGMJFYEE-IBGZPJMESA-N 1 3 303.494 2.625 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)N1CCCCC1 ZINC000354632306 280174531 /nfs/dbraw/zinc/17/45/31/280174531.db2.gz LYTHRPVNRUVCSL-FGTMMUONSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)N1CCCCC1 ZINC000354632306 280174532 /nfs/dbraw/zinc/17/45/32/280174532.db2.gz LYTHRPVNRUVCSL-FGTMMUONSA-N 1 3 323.525 2.734 20 0 DFADHO Cc1cc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1F ZINC000650707080 431653026 /nfs/dbraw/zinc/65/30/26/431653026.db2.gz YDBQHQPLNPAWRU-BQFCYCMXSA-N 1 3 306.425 2.852 20 0 DFADHO CC(C)N1CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657294350 431654459 /nfs/dbraw/zinc/65/44/59/431654459.db2.gz NWHAEGNSWYMFLV-IBGZPJMESA-N 1 3 318.461 2.817 20 0 DFADHO C[C@@H]1CCCN(Cc2cc(-n3ccnc3)cs2)[C@H]1CC[NH3+] ZINC000650711109 431656226 /nfs/dbraw/zinc/65/62/26/431656226.db2.gz ITZVOTVNMQJBSG-CJNGLKHVSA-N 1 3 304.463 2.883 20 0 DFADHO C[C@@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)[C@H]1CCN ZINC000650711109 431656230 /nfs/dbraw/zinc/65/62/30/431656230.db2.gz ITZVOTVNMQJBSG-CJNGLKHVSA-N 1 3 304.463 2.883 20 0 DFADHO C[C@@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)[C@H]1CCN ZINC000650711109 431656234 /nfs/dbraw/zinc/65/62/34/431656234.db2.gz ITZVOTVNMQJBSG-CJNGLKHVSA-N 1 3 304.463 2.883 20 0 DFADHO COCCOc1cccc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000650710880 431657725 /nfs/dbraw/zinc/65/77/25/431657725.db2.gz BLTTWCBVEFMPBR-YJBOKZPZSA-N 1 3 306.450 2.661 20 0 DFADHO Cc1ccccc1CN1CCCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000647513774 431611762 /nfs/dbraw/zinc/61/17/62/431611762.db2.gz CAUHPTSUPBCQDE-IBGZPJMESA-N 1 3 301.478 2.502 20 0 DFADHO CCO[C@@H]1C[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C[C@H]1CN ZINC000650714319 431660767 /nfs/dbraw/zinc/66/07/67/431660767.db2.gz YPPCMSVVQJYNFP-NXWXRZEISA-N 1 3 302.462 2.792 20 0 DFADHO CCO[C@@H]1C[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C[C@H]1CN ZINC000650714319 431660772 /nfs/dbraw/zinc/66/07/72/431660772.db2.gz YPPCMSVVQJYNFP-NXWXRZEISA-N 1 3 302.462 2.792 20 0 DFADHO Cc1ccc(-c2nn(C)cc2CN2CCC[C@@H](CC[NH3+])C2)o1 ZINC000647535815 431619348 /nfs/dbraw/zinc/61/93/48/431619348.db2.gz RRAWQOKEDRTRIC-AWEZNQCLSA-N 1 3 302.422 2.549 20 0 DFADHO C(c1nc2c(s1)CCC2)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542755 431621523 /nfs/dbraw/zinc/62/15/23/431621523.db2.gz BKZNNZLHYLIWPV-UONOGXRCSA-N 1 3 305.491 2.843 20 0 DFADHO Cn1c2ccccc2nc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543334 431624444 /nfs/dbraw/zinc/62/44/44/431624444.db2.gz LEKLSIAYWNMVQC-HOTGVXAUSA-N 1 3 312.461 2.785 20 0 DFADHO COc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1O ZINC000647543879 431625688 /nfs/dbraw/zinc/62/56/88/431625688.db2.gz TVUJASFXAAUPAE-HZPDHXFCSA-N 1 3 304.434 2.612 20 0 DFADHO FC(F)(F)c1csc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647550476 431627252 /nfs/dbraw/zinc/62/72/52/431627252.db2.gz RUYSCPFSUBBSLH-LPEHRKFASA-N 1 3 305.369 2.640 20 0 DFADHO COc1ccc(C)cc1CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650721868 431664875 /nfs/dbraw/zinc/66/48/75/431664875.db2.gz DTMVLUJFXQVYLS-SCTDSRPQSA-N 1 3 318.461 2.864 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cnc(C3CC3)s2)C1 ZINC000650723914 431666150 /nfs/dbraw/zinc/66/61/50/431666150.db2.gz VTLNPSPAORHLHM-VNQPRFMTSA-N 1 3 321.490 2.881 20 0 DFADHO COc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1C ZINC000650721856 431666171 /nfs/dbraw/zinc/66/61/71/431666171.db2.gz DGYDTMVZIXGVIE-SCTDSRPQSA-N 1 3 318.461 2.864 20 0 DFADHO CCOc1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650721748 431666904 /nfs/dbraw/zinc/66/69/04/431666904.db2.gz ABZRWEFCYWIBFG-QRQLOZEOSA-N 1 3 318.461 2.946 20 0 DFADHO C[C@@H](NCCC1(C[NH3+])CC1)c1ncc(Br)s1 ZINC000650745610 431677340 /nfs/dbraw/zinc/67/73/40/431677340.db2.gz KNGBVAUFTCUNKG-MRVPVSSYSA-N 1 3 304.257 2.685 20 0 DFADHO Cc1ncc(C[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)n1C ZINC000657335101 431682707 /nfs/dbraw/zinc/68/27/07/431682707.db2.gz LJRHAXQVCNLFKZ-SFHVURJKSA-N 1 3 312.461 2.730 20 0 DFADHO CC(C)COC[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccco1 ZINC000647793208 431690443 /nfs/dbraw/zinc/69/04/43/431690443.db2.gz PNJIGLKHVLEDKP-HZMVEIRTSA-N 1 3 306.450 2.971 20 0 DFADHO Cc1cccc2nc(CC[NH2+][C@@H]3C[C@H](N)c4ccccc43)cn21 ZINC000647804142 431693762 /nfs/dbraw/zinc/69/37/62/431693762.db2.gz JUPGAOCLOMVJSS-ZWKOTPCHSA-N 1 3 306.413 2.920 20 0 DFADHO C[C@@H]1SCC[C@@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000647804651 431695157 /nfs/dbraw/zinc/69/51/57/431695157.db2.gz WWFUDAHUWLUJIP-FAYQHZLMSA-N 1 3 304.459 2.726 20 0 DFADHO C[C@@H]1SCC[C@@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000647804657 431695171 /nfs/dbraw/zinc/69/51/71/431695171.db2.gz WWFUDAHUWLUJIP-MKVSYHDVSA-N 1 3 304.459 2.726 20 0 DFADHO CCOc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)c(C)c1 ZINC000657397500 431725960 /nfs/dbraw/zinc/72/59/60/431725960.db2.gz WZZIYACHLKEDKH-UHFFFAOYSA-N 1 3 320.477 2.719 20 0 DFADHO Cc1cccc2[nH]c(CNCC3(O)CC[NH+](C(C)C)CC3)cc21 ZINC000657396990 431726395 /nfs/dbraw/zinc/72/63/95/431726395.db2.gz IALNNWZQXQMZOP-UHFFFAOYSA-N 1 3 315.461 2.801 20 0 DFADHO CC[C@H]1CN(CCC(=O)Nc2ccccc2SC)CC[C@@H]1[NH3+] ZINC000647938300 431741405 /nfs/dbraw/zinc/74/14/05/431741405.db2.gz JHRVZKJKPXMLSW-KBPBESRZSA-N 1 3 321.490 2.796 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000647965079 431756599 /nfs/dbraw/zinc/75/65/99/431756599.db2.gz FVJISMNJBLTEAE-SJORKVTESA-N 1 3 322.518 2.802 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000647965079 431756606 /nfs/dbraw/zinc/75/66/06/431756606.db2.gz FVJISMNJBLTEAE-SJORKVTESA-N 1 3 322.518 2.802 20 0 DFADHO Fc1ccccc1OCCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975879 431763186 /nfs/dbraw/zinc/76/31/86/431763186.db2.gz HDVWKRKPZAADAZ-CVEARBPZSA-N 1 3 306.425 2.916 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(Cl)c(F)c1 ZINC000657573319 431815494 /nfs/dbraw/zinc/81/54/94/431815494.db2.gz JFDCAAILNRYYJM-ZDUSSCGKSA-N 1 3 315.864 2.841 20 0 DFADHO Cn1nc(C(F)(F)F)cc1CNCCCCC[NH+]1CCCC1 ZINC000657474438 431772269 /nfs/dbraw/zinc/77/22/69/431772269.db2.gz JIPPIFSGDWTHAG-UHFFFAOYSA-N 1 3 318.387 2.795 20 0 DFADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccsc3)cc2)C1 ZINC000657593705 431820193 /nfs/dbraw/zinc/82/01/93/431820193.db2.gz CBQKIQFLKMYJRF-KRWDZBQOSA-N 1 3 302.443 2.605 20 0 DFADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccsc3)cc2)C1 ZINC000657593705 431820199 /nfs/dbraw/zinc/82/01/99/431820199.db2.gz CBQKIQFLKMYJRF-KRWDZBQOSA-N 1 3 302.443 2.605 20 0 DFADHO Cc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657596743 431820908 /nfs/dbraw/zinc/82/09/08/431820908.db2.gz YJYMOWUHBYGWJB-HXUWFJFHSA-N 1 3 310.441 2.851 20 0 DFADHO Cc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657596743 431820913 /nfs/dbraw/zinc/82/09/13/431820913.db2.gz YJYMOWUHBYGWJB-HXUWFJFHSA-N 1 3 310.441 2.851 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000295043630 280809289 /nfs/dbraw/zinc/80/92/89/280809289.db2.gz FBYGSVBYKFHBKR-JKSUJKDBSA-N 1 3 303.450 2.903 20 0 DFADHO FC1(F)C[C@H]1OCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000657618292 431827172 /nfs/dbraw/zinc/82/71/72/431827172.db2.gz FNTJKTGGZZEARF-OAHLLOKOSA-N 1 3 302.409 2.797 20 0 DFADHO C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000247451377 289277885 /nfs/dbraw/zinc/27/78/85/289277885.db2.gz ZDVVPEJALHRUHY-XDNAFOTISA-N 1 3 321.509 2.725 20 0 DFADHO C[N@@H+]1CC[C@H](NCCN2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000367616178 290218499 /nfs/dbraw/zinc/21/84/99/290218499.db2.gz LKJJSPCPCXGCAU-HSALFYBXSA-N 1 3 313.489 2.507 20 0 DFADHO C[N@H+]1CC[C@H](NCCN2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000367616178 290218502 /nfs/dbraw/zinc/21/85/02/290218502.db2.gz LKJJSPCPCXGCAU-HSALFYBXSA-N 1 3 313.489 2.507 20 0 DFADHO Cc1cc(N2CCC([N@@H+](C)C[C@H](C)O)CC2)c2ccccc2n1 ZINC000436442343 297003782 /nfs/dbraw/zinc/00/37/82/297003782.db2.gz BCCFGWDDHJGSLQ-HNNXBMFYSA-N 1 3 313.445 2.825 20 0 DFADHO Cc1cc(N2CCC([N@H+](C)C[C@H](C)O)CC2)c2ccccc2n1 ZINC000436442343 297003783 /nfs/dbraw/zinc/00/37/83/297003783.db2.gz BCCFGWDDHJGSLQ-HNNXBMFYSA-N 1 3 313.445 2.825 20 0 DFADHO COc1cc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc(OC)c1OC ZINC000293316086 295023501 /nfs/dbraw/zinc/02/35/01/295023501.db2.gz FKJAHGZXRZOYDD-OLZOCXBDSA-N 1 3 310.438 2.561 20 0 DFADHO COc1cc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)ccc1F ZINC000154134523 295292758 /nfs/dbraw/zinc/29/27/58/295292758.db2.gz WRTMRZNNUWSYHG-CQSZACIVSA-N 1 3 323.456 2.511 20 0 DFADHO Cc1cc(C)cc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)c1 ZINC000154337893 295297568 /nfs/dbraw/zinc/29/75/68/295297568.db2.gz KHTLGJVBLIFUOK-SFHVURJKSA-N 1 3 303.494 2.982 20 0 DFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)C(C)(C)c1ccccc1 ZINC000154344463 295297719 /nfs/dbraw/zinc/29/77/19/295297719.db2.gz MZDXRADRPHDVMQ-SFHVURJKSA-N 1 3 317.521 2.970 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000154344351 295297805 /nfs/dbraw/zinc/29/78/05/295297805.db2.gz QZCFFXZYEZTOCB-HXUWFJFHSA-N 1 3 315.505 2.625 20 0 DFADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158129128 295358723 /nfs/dbraw/zinc/35/87/23/295358723.db2.gz UNGWTGMXTXNCBG-UONOGXRCSA-N 1 3 315.461 2.909 20 0 DFADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158129128 295358725 /nfs/dbraw/zinc/35/87/25/295358725.db2.gz UNGWTGMXTXNCBG-UONOGXRCSA-N 1 3 315.461 2.909 20 0 DFADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C)C2)cc1NC(C)=O ZINC000158217288 295360423 /nfs/dbraw/zinc/36/04/23/295360423.db2.gz SLPIWHPDRJSDDO-ZFWWWQNUSA-N 1 3 319.449 2.646 20 0 DFADHO CCC[C@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccccn1 ZINC000158626593 295365143 /nfs/dbraw/zinc/36/51/43/295365143.db2.gz ZTWRDQVYTVVTNB-SFHVURJKSA-N 1 3 318.509 2.930 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370763278 295462680 /nfs/dbraw/zinc/46/26/80/295462680.db2.gz HXKDXLMAYQBLQD-VVBDHPJYSA-N 1 3 309.498 2.519 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC000440112995 297144615 /nfs/dbraw/zinc/14/46/15/297144615.db2.gz YRJBGXBYDZTYCX-QGZVFWFLSA-N 1 3 321.509 2.773 20 0 DFADHO CC[C@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000441347283 297180726 /nfs/dbraw/zinc/18/07/26/297180726.db2.gz AANWXSXUECQIFR-QGZVFWFLSA-N 1 3 303.494 2.796 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(C[C@H](C)[NH3+])[C@H]2CCCC[C@H]12 ZINC000442664208 297199758 /nfs/dbraw/zinc/19/97/58/297199758.db2.gz LSTWOYKMMMBGOR-ROIMOXLHSA-N 1 3 309.498 2.518 20 0 DFADHO C[C@H]1C[C@@H](C[NH3+])CN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000442788783 297206345 /nfs/dbraw/zinc/20/63/45/297206345.db2.gz IZMODPCAWJAIDH-RYUDHWBXSA-N 1 3 320.824 2.602 20 0 DFADHO CC(C)n1ncc2cc(CN3CCC[C@@H](CC[NH3+])C3)cnc21 ZINC000442920133 297211108 /nfs/dbraw/zinc/21/11/08/297211108.db2.gz GLVRAVFPTZWLJL-AWEZNQCLSA-N 1 3 301.438 2.573 20 0 DFADHO CSc1ccc(NC(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443057649 297213978 /nfs/dbraw/zinc/21/39/78/297213978.db2.gz HNWRXCXWDZDKHT-UONOGXRCSA-N 1 3 321.490 2.796 20 0 DFADHO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000443059888 297214087 /nfs/dbraw/zinc/21/40/87/297214087.db2.gz NSKOZGIEXGMHPF-BBWFWOEESA-N 1 3 317.477 2.622 20 0 DFADHO CC1(C)CCCN(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000444626625 297242264 /nfs/dbraw/zinc/24/22/64/297242264.db2.gz AFJXMALODLUMDF-QGZVFWFLSA-N 1 3 321.509 2.632 20 0 DFADHO CC1(C)CCCN(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000444626625 297242265 /nfs/dbraw/zinc/24/22/65/297242265.db2.gz AFJXMALODLUMDF-QGZVFWFLSA-N 1 3 321.509 2.632 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC3(CCCC3)C2)CC1 ZINC000445849575 297269377 /nfs/dbraw/zinc/26/93/77/297269377.db2.gz MFEXELCIRPFJNK-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO CN(CC(O)C[N@H+](C)C[C@@H]1CC=CCC1)C[C@@H]1CC=CCC1 ZINC000447302071 297300045 /nfs/dbraw/zinc/30/00/45/297300045.db2.gz OHPXUUDSOFCCOO-QZTJIDSGSA-N 1 3 306.494 2.924 20 0 DFADHO CN(CC(O)C[N@@H+](C)C[C@@H]1CC=CCC1)C[C@@H]1CC=CCC1 ZINC000447302071 297300047 /nfs/dbraw/zinc/30/00/47/297300047.db2.gz OHPXUUDSOFCCOO-QZTJIDSGSA-N 1 3 306.494 2.924 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1)C1CC1 ZINC000447506629 297305743 /nfs/dbraw/zinc/30/57/43/297305743.db2.gz DHGUVYKZAYXGLV-YOEHRIQHSA-N 1 3 315.461 2.541 20 0 DFADHO Cc1cccc(CCN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000449048572 297397676 /nfs/dbraw/zinc/39/76/76/297397676.db2.gz PWAKVBHXAMCJOC-IPMKNSEASA-N 1 3 302.462 2.721 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCn2ccnc2)CC1 ZINC000449062784 297398923 /nfs/dbraw/zinc/39/89/23/297398923.db2.gz MUFGEYZDOVOIKS-QGZVFWFLSA-N 1 3 312.461 2.568 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCn2ccnc2)CC1 ZINC000449062783 297399063 /nfs/dbraw/zinc/39/90/63/297399063.db2.gz MUFGEYZDOVOIKS-KRWDZBQOSA-N 1 3 312.461 2.568 20 0 DFADHO CSC1(CNCc2cc3cccnc3o2)CC[NH+](C)CC1 ZINC000449338526 297448788 /nfs/dbraw/zinc/44/87/88/297448788.db2.gz SEZSXNIHLFJFPL-UHFFFAOYSA-N 1 3 305.447 2.745 20 0 DFADHO CC1CCC(N2CCN(C(=O)C[C@H]3CCCC[C@@H]3[NH3+])CC2)CC1 ZINC000449350780 297451923 /nfs/dbraw/zinc/45/19/23/297451923.db2.gz NIUHWJZTCNLOAD-FPQWYMTMSA-N 1 3 321.509 2.617 20 0 DFADHO CC(C)N1CCN(C2CC[NH+](CC3CC(F)(F)C3)CC2)CC1 ZINC000450636517 297659920 /nfs/dbraw/zinc/65/99/20/297659920.db2.gz NCMICABMGHPOTD-UHFFFAOYSA-N 1 3 315.452 2.522 20 0 DFADHO C[N@@H+]1CC[C@@](O)(CN[C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453192362 298070456 /nfs/dbraw/zinc/07/04/56/298070456.db2.gz GKZCHOFCBZVUBS-DLBZAZTESA-N 1 3 308.853 2.837 20 0 DFADHO C[N@H+]1CC[C@@](O)(CN[C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453192362 298070458 /nfs/dbraw/zinc/07/04/58/298070458.db2.gz GKZCHOFCBZVUBS-DLBZAZTESA-N 1 3 308.853 2.837 20 0 DFADHO C[C@H]([NH2+][C@@H]1COCC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000453358121 298086563 /nfs/dbraw/zinc/08/65/63/298086563.db2.gz JUSYSXCDNDFUGH-WMLDXEAASA-N 1 3 306.450 2.703 20 0 DFADHO CN1CCC(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000456261704 298483338 /nfs/dbraw/zinc/48/33/38/298483338.db2.gz GDIHWIAMQOIHAO-QGZVFWFLSA-N 1 3 301.434 2.516 20 0 DFADHO C[NH+]1CCC(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000456684045 298569392 /nfs/dbraw/zinc/56/93/92/298569392.db2.gz BVRVCZQOPJGJOF-UHFFFAOYSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@H]([NH3+])CCC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000193302893 298953460 /nfs/dbraw/zinc/95/34/60/298953460.db2.gz LKEUCXBUTCSDFD-WMZOPIPTSA-N 1 3 317.477 2.703 20 0 DFADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1ccccc1 ZINC000513045231 300256736 /nfs/dbraw/zinc/25/67/36/300256736.db2.gz CXENLWAFFLBVEX-RDJZCZTQSA-N 1 3 303.450 2.868 20 0 DFADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1ccccc1 ZINC000513045231 300256739 /nfs/dbraw/zinc/25/67/39/300256739.db2.gz CXENLWAFFLBVEX-RDJZCZTQSA-N 1 3 303.450 2.868 20 0 DFADHO C[C@H]1C[C@@H](CCNCc2ccnn2C)C[N@@H+]1Cc1ccccc1 ZINC000513493590 300257900 /nfs/dbraw/zinc/25/79/00/300257900.db2.gz BNXFQEUTLLGBTN-FUHWJXTLSA-N 1 3 312.461 2.810 20 0 DFADHO C[C@H]1C[C@@H](CCNCc2ccnn2C)C[N@H+]1Cc1ccccc1 ZINC000513493590 300257902 /nfs/dbraw/zinc/25/79/02/300257902.db2.gz BNXFQEUTLLGBTN-FUHWJXTLSA-N 1 3 312.461 2.810 20 0 DFADHO CCC[N@@H+]1CC[C@H](CNCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000514855820 300275462 /nfs/dbraw/zinc/27/54/62/300275462.db2.gz CHTOGIPJWNTRMP-CQSZACIVSA-N 1 3 323.868 2.990 20 0 DFADHO CCC[N@H+]1CC[C@H](CNCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000514855820 300275466 /nfs/dbraw/zinc/27/54/66/300275466.db2.gz CHTOGIPJWNTRMP-CQSZACIVSA-N 1 3 323.868 2.990 20 0 DFADHO CCCN1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000514855820 300275468 /nfs/dbraw/zinc/27/54/68/300275468.db2.gz CHTOGIPJWNTRMP-CQSZACIVSA-N 1 3 323.868 2.990 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@H](C)[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000514930476 300279678 /nfs/dbraw/zinc/27/96/78/300279678.db2.gz IIKSZSYBDCDBER-ZACQAIPSSA-N 1 3 317.477 2.642 20 0 DFADHO COc1ccccc1N1CCC([NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000515803470 300321141 /nfs/dbraw/zinc/32/11/41/300321141.db2.gz IBGUCYFJCRVPHV-HOTGVXAUSA-N 1 3 317.477 2.642 20 0 DFADHO C[C@H](CNC[C@@H](O)Cc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000516048455 300327427 /nfs/dbraw/zinc/32/74/27/300327427.db2.gz HGGBZWYKTYGQJK-PBHICJAKSA-N 1 3 310.869 2.565 20 0 DFADHO C[C@H](C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)CN1CCCC1 ZINC000516048455 300327428 /nfs/dbraw/zinc/32/74/28/300327428.db2.gz HGGBZWYKTYGQJK-PBHICJAKSA-N 1 3 310.869 2.565 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(-c2cccnc2)c1 ZINC000516173919 300332713 /nfs/dbraw/zinc/33/27/13/300332713.db2.gz MUSKRZDQPKWMMW-ZOCIIQOWSA-N 1 3 311.429 2.591 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000517230091 300388432 /nfs/dbraw/zinc/38/84/32/300388432.db2.gz XVCHVLIWLGCKNP-RHSMWYFYSA-N 1 3 303.450 2.819 20 0 DFADHO COc1ccc(CNCC2(SC)CC[NH+](C)CC2)c(F)c1 ZINC000517574765 300400283 /nfs/dbraw/zinc/40/02/83/300400283.db2.gz IACOJTMYOBBCRR-UHFFFAOYSA-N 1 3 312.454 2.751 20 0 DFADHO [NH3+][C@H](CCC(=O)Nc1cccc2c1CCNC2)c1ccccc1 ZINC000519691604 300470261 /nfs/dbraw/zinc/47/02/61/300470261.db2.gz ZOSJYZOEBKCCKV-QGZVFWFLSA-N 1 3 309.413 2.751 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000520838224 300511459 /nfs/dbraw/zinc/51/14/59/300511459.db2.gz UKAXJUPJAPQURV-GOEBONIOSA-N 1 3 323.506 2.637 20 0 DFADHO C[NH+](C)CCC1CCN([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528350785 300774164 /nfs/dbraw/zinc/77/41/64/300774164.db2.gz FLFINFRCSKUSRD-SFHVURJKSA-N 1 3 321.509 2.584 20 0 DFADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000530024877 301005716 /nfs/dbraw/zinc/00/57/16/301005716.db2.gz YBBUOLKQMGCWRY-ZWKOTPCHSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000530024877 301005717 /nfs/dbraw/zinc/00/57/17/301005717.db2.gz YBBUOLKQMGCWRY-ZWKOTPCHSA-N 1 3 319.493 2.527 20 0 DFADHO CO[C@@H](Cc1ccc(F)cc1)C[N@H+](C1CC1)C1CCNCC1 ZINC000530206642 301029026 /nfs/dbraw/zinc/02/90/26/301029026.db2.gz MDMPNHICQNKUFG-SFHVURJKSA-N 1 3 306.425 2.600 20 0 DFADHO CO[C@@H](Cc1ccc(F)cc1)C[N@@H+](C1CC1)C1CCNCC1 ZINC000530206642 301029027 /nfs/dbraw/zinc/02/90/27/301029027.db2.gz MDMPNHICQNKUFG-SFHVURJKSA-N 1 3 306.425 2.600 20 0 DFADHO CO[C@H](CN1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000530218382 301030429 /nfs/dbraw/zinc/03/04/29/301030429.db2.gz FSUCFHGFFXTSDK-SJLPKXTDSA-N 1 3 306.425 2.835 20 0 DFADHO Cc1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1F ZINC000530248645 301033856 /nfs/dbraw/zinc/03/38/56/301033856.db2.gz NOWWSBPROOWLNK-QGZVFWFLSA-N 1 3 306.425 2.725 20 0 DFADHO CC[C@H]1CCC[C@@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000531708171 301105299 /nfs/dbraw/zinc/10/52/99/301105299.db2.gz GBGNVRASSGDAIJ-HKUYNNGSSA-N 1 3 316.493 2.762 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccccc1OCCN(C)C)C1CCOCC1 ZINC000532205594 301136563 /nfs/dbraw/zinc/13/65/63/301136563.db2.gz PUDPDJWAPHSLCO-GOSISDBHSA-N 1 3 320.477 2.922 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000532239085 301138990 /nfs/dbraw/zinc/13/89/90/301138990.db2.gz MCLHNCGXBYFDRY-JKSUJKDBSA-N 1 3 303.450 2.644 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NCC[N@H+]2CC[C@H](C)C2)c1 ZINC000532239085 301138992 /nfs/dbraw/zinc/13/89/92/301138992.db2.gz MCLHNCGXBYFDRY-JKSUJKDBSA-N 1 3 303.450 2.644 20 0 DFADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(N2CCOCC2)c1 ZINC000532506873 301157147 /nfs/dbraw/zinc/15/71/47/301157147.db2.gz XPILRHKBRGNMRD-IRXDYDNUSA-N 1 3 317.477 2.516 20 0 DFADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOCC2)c1 ZINC000532506873 301157148 /nfs/dbraw/zinc/15/71/48/301157148.db2.gz XPILRHKBRGNMRD-IRXDYDNUSA-N 1 3 317.477 2.516 20 0 DFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532549629 301159707 /nfs/dbraw/zinc/15/97/07/301159707.db2.gz FURGPYFEGMCBCW-DKNRTOFZSA-N 1 3 308.388 2.685 20 0 DFADHO CC1(C)CCC[C@@H](CN2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000535070023 301247491 /nfs/dbraw/zinc/24/74/91/301247491.db2.gz MGEHFUPPKQXVRA-GOSISDBHSA-N 1 3 307.526 2.916 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN([C@H]2CCCN(C)C2=O)CC1 ZINC000537607183 301305865 /nfs/dbraw/zinc/30/58/65/301305865.db2.gz SBTPGXKQEBACME-AEFFLSMTSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN([C@H]2CCCN(C)C2=O)CC1 ZINC000537607183 301305868 /nfs/dbraw/zinc/30/58/68/301305868.db2.gz SBTPGXKQEBACME-AEFFLSMTSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000539688471 301346486 /nfs/dbraw/zinc/34/64/86/301346486.db2.gz JOCKQCAWLGMGLO-QAPCUYQASA-N 1 3 319.518 2.988 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000539688471 301346488 /nfs/dbraw/zinc/34/64/88/301346488.db2.gz JOCKQCAWLGMGLO-QAPCUYQASA-N 1 3 319.518 2.988 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2=CCN(C)CC2)c1 ZINC000540605000 301365813 /nfs/dbraw/zinc/36/58/13/301365813.db2.gz CJQJCQCEAQEUMC-OAHLLOKOSA-N 1 3 301.434 2.564 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000552005047 301675340 /nfs/dbraw/zinc/67/53/40/301675340.db2.gz JJPPBSKCORGQNB-KZNAEPCWSA-N 1 3 323.525 2.545 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000562958941 302017945 /nfs/dbraw/zinc/01/79/45/302017945.db2.gz YOTPTIUQDUFDMB-GDIGMMSISA-N 1 3 311.429 2.591 20 0 DFADHO CC(=O)N1CC[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])c2ccccc21 ZINC000562960386 302018604 /nfs/dbraw/zinc/01/86/04/302018604.db2.gz OALLJGZKZPLFTK-UAGQMJEPSA-N 1 3 301.434 2.591 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(N3CCCCCC3)nc2)C1 ZINC000563427312 302071561 /nfs/dbraw/zinc/07/15/61/302071561.db2.gz XODIDMQGVHWFII-DLBZAZTESA-N 1 3 302.466 2.822 20 0 DFADHO CC(C)NCC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000563450260 302074616 /nfs/dbraw/zinc/07/46/16/302074616.db2.gz BZEORANDWXOSMU-UHFFFAOYSA-N 1 3 317.477 2.898 20 0 DFADHO Cc1ccc(OC[C@@H](O)C[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC000564077814 302117169 /nfs/dbraw/zinc/11/71/69/302117169.db2.gz WEWSYXODXGAVCB-ROUUACIJSA-N 1 3 320.477 2.589 20 0 DFADHO C[C@@H](NCCC(=O)Nc1cccc(F)c1)C(C)(C)C[NH+](C)C ZINC000564854248 302164795 /nfs/dbraw/zinc/16/47/95/302164795.db2.gz MWKVLRCBRHMWLV-CYBMUJFWSA-N 1 3 309.429 2.720 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000565225618 302210293 /nfs/dbraw/zinc/21/02/93/302210293.db2.gz GHZFJYGLACTDMF-UONOGXRCSA-N 1 3 320.824 2.792 20 0 DFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000565652547 302235212 /nfs/dbraw/zinc/23/52/12/302235212.db2.gz XAWWXKDXXRCADO-ZACQAIPSSA-N 1 3 310.869 2.706 20 0 DFADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CCCCC[NH2+]2)N(C)C)cc1 ZINC000566011855 302253285 /nfs/dbraw/zinc/25/32/85/302253285.db2.gz IIHPFVDHQWAFDK-QZTJIDSGSA-N 1 3 317.477 2.500 20 0 DFADHO C[C@@H](NCc1cc(N(C)C)nc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000566089587 302258329 /nfs/dbraw/zinc/25/83/29/302258329.db2.gz UQWYNCAZRQXCOY-HUUCEWRRSA-N 1 3 312.461 2.779 20 0 DFADHO C[C@H](CC[NH+](C)C)NC[C@H](O)Cc1ccc2ccccc2c1 ZINC000566615374 302299374 /nfs/dbraw/zinc/29/93/74/302299374.db2.gz IKWDZLUQZNTHPO-DNVCBOLYSA-N 1 3 300.446 2.673 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)C1 ZINC000566865848 302318752 /nfs/dbraw/zinc/31/87/52/302318752.db2.gz FQPXWHCKGUUGSP-UONOGXRCSA-N 1 3 307.404 2.510 20 0 DFADHO C[C@H](CC1CCCC1)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000566990245 302327714 /nfs/dbraw/zinc/32/77/14/302327714.db2.gz VUGPAZZRWHJMLM-MRXNPFEDSA-N 1 3 309.498 2.537 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000567102852 302335716 /nfs/dbraw/zinc/33/57/16/302335716.db2.gz XKNRRFWTCUNCEV-RUGDWHBFSA-N 1 3 315.461 2.847 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)CN2CCC(C)CC2)c1 ZINC000567250196 302345568 /nfs/dbraw/zinc/34/55/68/302345568.db2.gz DAJPHRXOROCHTE-OAHLLOKOSA-N 1 3 318.465 2.696 20 0 DFADHO CSc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)CN1CCCC1)CCC2 ZINC000567269542 302346615 /nfs/dbraw/zinc/34/66/15/302346615.db2.gz KOSWDBPWTSHMTL-YJBOKZPZSA-N 1 3 320.502 2.832 20 0 DFADHO CC[C@H](C)[C@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000567484162 302362806 /nfs/dbraw/zinc/36/28/06/302362806.db2.gz IMQBUAVADQYUSW-HOTGVXAUSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H](N[C@@H]1CCN(c2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000567641191 302375753 /nfs/dbraw/zinc/37/57/53/302375753.db2.gz KHMJRKMZEIJEMZ-SQWLQELKSA-N 1 3 307.869 2.896 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)[C@@H]1CCCNC1 ZINC000567641191 302375755 /nfs/dbraw/zinc/37/57/55/302375755.db2.gz KHMJRKMZEIJEMZ-SQWLQELKSA-N 1 3 307.869 2.896 20 0 DFADHO CC(=O)N1CC[C@H]([NH2+][C@H]2CCCCC[C@H]2N)c2ccccc21 ZINC000567648425 302376366 /nfs/dbraw/zinc/37/63/66/302376366.db2.gz QGCHHVPNEQLIEL-IKGGRYGDSA-N 1 3 301.434 2.734 20 0 DFADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)C(C)(C)N)ccc21 ZINC000567785090 302389100 /nfs/dbraw/zinc/38/91/00/302389100.db2.gz XQHRMLOPQFNYNM-UHFFFAOYSA-N 1 3 316.449 2.659 20 0 DFADHO CN(C)Cc1cccc(NC(=O)C[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000570687071 302587173 /nfs/dbraw/zinc/58/71/73/302587173.db2.gz RZTRJKNQNSTXCN-KRWDZBQOSA-N 1 3 311.429 2.647 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000570699100 302588141 /nfs/dbraw/zinc/58/81/41/302588141.db2.gz PLFWFCCCSPLPSM-XDNAFOTISA-N 1 3 321.509 2.820 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC[C@@H](O)CC(F)(F)F)c1 ZINC000573953726 302732997 /nfs/dbraw/zinc/73/29/97/302732997.db2.gz LYDSDAAAWQNPQY-HNNXBMFYSA-N 1 3 318.383 2.931 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)[C@@H]1CCCNC1 ZINC000574307559 302752236 /nfs/dbraw/zinc/75/22/36/302752236.db2.gz ISQNBPNVJHMJMG-ARFHVFGLSA-N 1 3 305.441 2.630 20 0 DFADHO CCC[C@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cccnc1 ZINC000185021556 316178306 /nfs/dbraw/zinc/17/83/06/316178306.db2.gz DQVDFLHABIABEK-AEFFLSMTSA-N 1 3 304.482 2.538 20 0 DFADHO C[C@H](NCCC(=O)NC1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749713 316191697 /nfs/dbraw/zinc/19/16/97/316191697.db2.gz HEKGKQKZRAETCX-JKSUJKDBSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@H](NCCC(=O)NC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749713 316191702 /nfs/dbraw/zinc/19/17/02/316191702.db2.gz HEKGKQKZRAETCX-JKSUJKDBSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@H]([NH2+]CCC(=O)NC1CCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185749713 316191706 /nfs/dbraw/zinc/19/17/06/316191706.db2.gz HEKGKQKZRAETCX-JKSUJKDBSA-N 1 3 321.509 2.678 20 0 DFADHO CCC[C@H]1CCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000185862288 316193255 /nfs/dbraw/zinc/19/32/55/316193255.db2.gz JWCSNRZCOQALHM-KRWDZBQOSA-N 1 3 309.498 2.630 20 0 DFADHO COc1cc2c(cc1CN1CCC([C@H](C)[NH3+])CC1)O[C@@H](C)C2 ZINC000317054550 316246989 /nfs/dbraw/zinc/24/69/89/316246989.db2.gz XGHOBTRNSCQBHB-STQMWFEESA-N 1 3 304.434 2.578 20 0 DFADHO CCn1c2ccccc2nc1CNCC1(C)CC[NH+](C)CC1 ZINC000318751175 316249649 /nfs/dbraw/zinc/24/96/49/316249649.db2.gz ZDIIUCYQUIURIK-UHFFFAOYSA-N 1 3 300.450 2.878 20 0 DFADHO CN1CC[C@@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000350022761 316373860 /nfs/dbraw/zinc/37/38/60/316373860.db2.gz IZPQIAQGGQHZPV-MRXNPFEDSA-N 1 3 312.417 2.752 20 0 DFADHO CN(C)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CCCC1 ZINC000426409165 316817250 /nfs/dbraw/zinc/81/72/50/316817250.db2.gz GCCRAKWBCOFYGJ-UHFFFAOYSA-N 1 3 323.525 2.831 20 0 DFADHO COC[C@@H]1CCCCN1CC(C)C[N@@H+]1CCCC[C@H]1COC ZINC000452039434 317120451 /nfs/dbraw/zinc/12/04/51/317120451.db2.gz OHOUKGXWKPBOSQ-ROUUACIJSA-N 1 3 312.498 2.624 20 0 DFADHO COC[C@@H]1CCCCN1CC(C)C[N@H+]1CCCC[C@H]1COC ZINC000452039434 317120455 /nfs/dbraw/zinc/12/04/55/317120455.db2.gz OHOUKGXWKPBOSQ-ROUUACIJSA-N 1 3 312.498 2.624 20 0 DFADHO C[NH+](C)CCCN[C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453067344 317159107 /nfs/dbraw/zinc/15/91/07/317159107.db2.gz ZEQWEHJZJDGMDF-IRXDYDNUSA-N 1 3 310.869 2.971 20 0 DFADHO CCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453081185 317160617 /nfs/dbraw/zinc/16/06/17/317160617.db2.gz PKKJOVCVBUJUOF-AQNXPRMDSA-N 1 3 315.505 2.971 20 0 DFADHO Cn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453104352 317163051 /nfs/dbraw/zinc/16/30/51/317163051.db2.gz ZHQIZBORIDMNON-XUVXKRRUSA-N 1 3 324.472 2.953 20 0 DFADHO COCCSCCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000488278032 317380529 /nfs/dbraw/zinc/38/05/29/317380529.db2.gz IFHHJTYYPIMKAN-HOTGVXAUSA-N 1 3 314.539 2.999 20 0 DFADHO C[C@@H]1C[C@H]1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000488410080 317390745 /nfs/dbraw/zinc/39/07/45/317390745.db2.gz HZRMTQCSOFETTP-QUCCMNQESA-N 1 3 315.505 2.830 20 0 DFADHO CC(C)C1CC([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1 ZINC000488422533 317391682 /nfs/dbraw/zinc/39/16/82/317391682.db2.gz MGEJQJRIRFMKJZ-UHFFFAOYSA-N 1 3 307.526 2.961 20 0 DFADHO CO[C@@H](CN1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000530222408 317776647 /nfs/dbraw/zinc/77/66/47/317776647.db2.gz MVLUISZRAXJUME-MSOLQXFVSA-N 1 3 306.425 2.977 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000565903520 317932531 /nfs/dbraw/zinc/93/25/31/317932531.db2.gz JDQAFYISWJJPDS-LSDHHAIUSA-N 1 3 303.381 2.883 20 0 DFADHO CSC[C@@H](O)CNCc1ccccc1C[NH+]1CCCCCC1 ZINC000566118724 317937935 /nfs/dbraw/zinc/93/79/35/317937935.db2.gz YOTTUBFJFPEMMW-SFHVURJKSA-N 1 3 322.518 2.876 20 0 DFADHO CC[NH+]1CCC(NC[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000575040405 318058655 /nfs/dbraw/zinc/05/86/55/318058655.db2.gz WXNNASRPTYENEH-FQEVSTJZSA-N 1 3 312.457 2.817 20 0 DFADHO COc1cncc(/C=C\CCN2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000575744557 318080272 /nfs/dbraw/zinc/08/02/72/318080272.db2.gz CPEFKQWFXREJOG-LKIHTYOGSA-N 1 3 301.434 2.521 20 0 DFADHO COc1cncc(/C=C\CCN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000575744557 318080275 /nfs/dbraw/zinc/08/02/75/318080275.db2.gz CPEFKQWFXREJOG-LKIHTYOGSA-N 1 3 301.434 2.521 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000576389419 318122857 /nfs/dbraw/zinc/12/28/57/318122857.db2.gz QVLYCVYLINXZCF-QGZVFWFLSA-N 1 3 318.465 2.696 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000576389419 318122860 /nfs/dbraw/zinc/12/28/60/318122860.db2.gz QVLYCVYLINXZCF-QGZVFWFLSA-N 1 3 318.465 2.696 20 0 DFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)[NH+]1CCC(C)CC1 ZINC000576728652 318146300 /nfs/dbraw/zinc/14/63/00/318146300.db2.gz REZMXYIDVFPKEN-CQSZACIVSA-N 1 3 316.449 2.532 20 0 DFADHO CC[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000577739727 318213906 /nfs/dbraw/zinc/21/39/06/318213906.db2.gz DJKWDVMFEDIZBK-XKGZKEIXSA-N 1 3 315.505 2.801 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CO1 ZINC000577952260 318227869 /nfs/dbraw/zinc/22/78/69/318227869.db2.gz ARLHVITXOHGEMY-HLLBOEOZSA-N 1 3 316.445 2.742 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000578127549 318239623 /nfs/dbraw/zinc/23/96/23/318239623.db2.gz CVJYNZLMWIKZCM-TZMCWYRMSA-N 1 3 307.413 2.535 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000578127549 318239624 /nfs/dbraw/zinc/23/96/24/318239624.db2.gz CVJYNZLMWIKZCM-TZMCWYRMSA-N 1 3 307.413 2.535 20 0 DFADHO C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@H]1CCCNC1 ZINC000578433962 318260455 /nfs/dbraw/zinc/26/04/55/318260455.db2.gz RPSCRDDDPNMZFA-ZFWWWQNUSA-N 1 3 321.431 2.629 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@H]3CCCCC[C@@H]3[NH3+])C2)c1 ZINC000579699317 318348470 /nfs/dbraw/zinc/34/84/70/318348470.db2.gz ANXNXYNEBXYQKR-SNRMKQJTSA-N 1 3 317.477 2.914 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@H]3CCCCC[C@H]3[NH3+])C2)c1 ZINC000579699314 318348488 /nfs/dbraw/zinc/34/84/88/318348488.db2.gz ANXNXYNEBXYQKR-IPELMVKDSA-N 1 3 317.477 2.914 20 0 DFADHO COCC[N@H+](C)CC[C@@H](N[C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000579860903 318359522 /nfs/dbraw/zinc/35/95/22/318359522.db2.gz WPUUTUCSZIDANB-GUDVDZBRSA-N 1 3 320.477 2.589 20 0 DFADHO COCC[N@@H+](C)CC[C@@H](N[C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000579860903 318359525 /nfs/dbraw/zinc/35/95/25/318359525.db2.gz WPUUTUCSZIDANB-GUDVDZBRSA-N 1 3 320.477 2.589 20 0 DFADHO C[C@@H]1CC[C@@H](NCC2([NH3+])CCCCCC2)[C@H](n2cncn2)C1 ZINC000579944617 318364854 /nfs/dbraw/zinc/36/48/54/318364854.db2.gz HXWPKXFEYQQXTQ-BZUAXINKSA-N 1 3 305.470 2.649 20 0 DFADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000580065185 318372833 /nfs/dbraw/zinc/37/28/33/318372833.db2.gz NLLFVHSUHULVHP-RDJZCZTQSA-N 1 3 310.869 2.565 20 0 DFADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000580065185 318372835 /nfs/dbraw/zinc/37/28/35/318372835.db2.gz NLLFVHSUHULVHP-RDJZCZTQSA-N 1 3 310.869 2.565 20 0 DFADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000580065185 318372836 /nfs/dbraw/zinc/37/28/36/318372836.db2.gz NLLFVHSUHULVHP-RDJZCZTQSA-N 1 3 310.869 2.565 20 0 DFADHO CN(CCNC(=O)[C@@H]([NH3+])CC1CCCCC1)Cc1ccccc1 ZINC000386747857 323319931 /nfs/dbraw/zinc/31/99/31/323319931.db2.gz FUIWMESFTMBJBT-SFHVURJKSA-N 1 3 317.477 2.532 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cccc(OCCN(C)C)c1 ZINC000387312450 323323832 /nfs/dbraw/zinc/32/38/32/323323832.db2.gz OJZMSXBRENSXGO-RVKKMQEKSA-N 1 3 305.466 2.768 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1cccc(OCCN(C)C)c1 ZINC000387312450 323323833 /nfs/dbraw/zinc/32/38/33/323323833.db2.gz OJZMSXBRENSXGO-RVKKMQEKSA-N 1 3 305.466 2.768 20 0 DFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000387494159 323325499 /nfs/dbraw/zinc/32/54/99/323325499.db2.gz AZVXJSLAKOGOIW-WBVHZDCISA-N 1 3 319.493 2.647 20 0 DFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC1CC[NH+](CC)CC1 ZINC000387640211 323326568 /nfs/dbraw/zinc/32/65/68/323326568.db2.gz HZLWDPVXUFSEPL-CQSZACIVSA-N 1 3 313.486 2.706 20 0 DFADHO Cn1cc([C@H](NC[C@H]2CC[C@H](C[NH3+])CC2)c2ccccc2)cn1 ZINC000580302288 323367218 /nfs/dbraw/zinc/36/72/18/323367218.db2.gz GKWWXURXNLWWDT-GPMSIDNRSA-N 1 3 312.461 2.864 20 0 DFADHO COc1cncc(/C=C/CC[N@@H+]2CC[C@H](CN3CCCC3)C2)c1 ZINC000580307321 323367744 /nfs/dbraw/zinc/36/77/44/323367744.db2.gz MOSPNLWSCWNLNH-OBNPVOHOSA-N 1 3 315.461 2.911 20 0 DFADHO COc1cncc(/C=C/CC[N@H+]2CC[C@H](CN3CCCC3)C2)c1 ZINC000580307321 323367749 /nfs/dbraw/zinc/36/77/49/323367749.db2.gz MOSPNLWSCWNLNH-OBNPVOHOSA-N 1 3 315.461 2.911 20 0 DFADHO C[C@H](Cc1ccsc1)[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000580498786 323392494 /nfs/dbraw/zinc/39/24/94/323392494.db2.gz ASJRIKJNNBSAAE-MRXNPFEDSA-N 1 3 321.534 2.639 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2cccn2)c(F)c1 ZINC000581021994 323466088 /nfs/dbraw/zinc/46/60/88/323466088.db2.gz HQYTTWMWEUWPNH-AEGPPILISA-N 1 3 302.397 2.932 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+]CC3(O)CCCC3)cc2)CC1 ZINC000583200108 323813229 /nfs/dbraw/zinc/81/32/29/323813229.db2.gz PDJXVDNMNDPPBA-UHFFFAOYSA-N 1 3 318.461 2.554 20 0 DFADHO COc1ccccc1N1CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000583451365 323858608 /nfs/dbraw/zinc/85/86/08/323858608.db2.gz SJGIWUISSJBZPD-ZBFHGGJFSA-N 1 3 303.450 2.524 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000295043621 533867767 /nfs/dbraw/zinc/86/77/67/533867767.db2.gz FBYGSVBYKFHBKR-HOTGVXAUSA-N 1 3 303.450 2.903 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(C)C ZINC000154721122 519809140 /nfs/dbraw/zinc/80/91/40/519809140.db2.gz YKYGOXNYVCOJNJ-ZWKOTPCHSA-N 1 3 323.525 2.687 20 0 DFADHO Cc1ccc2nccc(N3CCC([N@H+](C)CCCO)CC3)c2c1 ZINC000302159509 534520094 /nfs/dbraw/zinc/52/00/94/534520094.db2.gz OLJLUAMCWBWUSM-UHFFFAOYSA-N 1 3 313.445 2.826 20 0 DFADHO Cc1ccc2nccc(N3CCC([N@@H+](C)CCCO)CC3)c2c1 ZINC000302159509 534520103 /nfs/dbraw/zinc/52/01/03/534520103.db2.gz OLJLUAMCWBWUSM-UHFFFAOYSA-N 1 3 313.445 2.826 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3c2cccc3C)CC1 ZINC000154459843 521680491 /nfs/dbraw/zinc/68/04/91/521680491.db2.gz OPSTYXBJQHSBOU-HXUWFJFHSA-N 1 3 315.505 2.990 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000163269364 521710616 /nfs/dbraw/zinc/71/06/16/521710616.db2.gz SNZDXKJLJICYNC-HOTGVXAUSA-N 1 3 315.461 2.806 20 0 DFADHO CCc1nc(C)c([C@@H](C)NC2CC[NH+](CCOC)CC2)s1 ZINC000154819358 522219805 /nfs/dbraw/zinc/21/98/05/522219805.db2.gz FHSYZLNHGLGRKC-GFCCVEGCSA-N 1 3 311.495 2.775 20 0 DFADHO Cc1[nH+]c2ccccc2c(NC[C@@H](C)N2CCN(C)CC2)c1C ZINC000302101707 534670968 /nfs/dbraw/zinc/67/09/68/534670968.db2.gz VILNZHRBEWPWOY-CQSZACIVSA-N 1 3 312.461 2.899 20 0 DFADHO CN(Cc1ccccc1)[C@H]1CCC[N@H+](CCC2OCCO2)CC1 ZINC000363839751 523350178 /nfs/dbraw/zinc/35/01/78/523350178.db2.gz ZNEMZVXEAIEJSM-SFHVURJKSA-N 1 3 318.461 2.736 20 0 DFADHO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](CCC2OCCO2)CC1 ZINC000363839751 523350195 /nfs/dbraw/zinc/35/01/95/523350195.db2.gz ZNEMZVXEAIEJSM-SFHVURJKSA-N 1 3 318.461 2.736 20 0 DFADHO C[N@H+](Cc1ccccc1)[C@H]1CCCN(CCC2OCCO2)CC1 ZINC000363839751 523350201 /nfs/dbraw/zinc/35/02/01/523350201.db2.gz ZNEMZVXEAIEJSM-SFHVURJKSA-N 1 3 318.461 2.736 20 0 DFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(CCC2OCCO2)CC1 ZINC000363839751 523350216 /nfs/dbraw/zinc/35/02/16/523350216.db2.gz ZNEMZVXEAIEJSM-SFHVURJKSA-N 1 3 318.461 2.736 20 0 DFADHO Cc1nccn1CCN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310320787 534774720 /nfs/dbraw/zinc/77/47/20/534774720.db2.gz YPIAYMWLCUCSPL-WOJBJXKFSA-N 1 3 324.472 2.645 20 0 DFADHO Cc1nccn1CCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310320787 534774721 /nfs/dbraw/zinc/77/47/21/534774721.db2.gz YPIAYMWLCUCSPL-WOJBJXKFSA-N 1 3 324.472 2.645 20 0 DFADHO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@H]23)c1 ZINC000315478638 527084229 /nfs/dbraw/zinc/08/42/29/527084229.db2.gz KXKBPBANJCDEJF-MORSLUCNSA-N 1 3 301.434 2.922 20 0 DFADHO FC(F)COCC[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000364820573 527693310 /nfs/dbraw/zinc/69/33/10/527693310.db2.gz ZZJIUZUEIJMUGL-UHFFFAOYSA-N 1 3 304.425 2.902 20 0 DFADHO CC(C)CC[NH+]1CCC(CNCc2cn3cccnc3n2)CC1 ZINC000297562281 527725469 /nfs/dbraw/zinc/72/54/69/527725469.db2.gz HGALPGRRQWFZHR-UHFFFAOYSA-N 1 3 315.465 2.577 20 0 DFADHO CC(C)OCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310017776 527963311 /nfs/dbraw/zinc/96/33/11/527963311.db2.gz PFBYBKTZSYKSQF-OALUTQOASA-N 1 3 302.462 2.865 20 0 DFADHO CC(C)OCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310017776 527963317 /nfs/dbraw/zinc/96/33/17/527963317.db2.gz PFBYBKTZSYKSQF-OALUTQOASA-N 1 3 302.462 2.865 20 0 DFADHO CCOC(=O)c1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)[nH]c1C ZINC000295684671 528167638 /nfs/dbraw/zinc/16/76/38/528167638.db2.gz LEMKBLVWVMZLFI-VHRNVKJDSA-N 1 3 319.449 2.605 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000178203072 535143364 /nfs/dbraw/zinc/14/33/64/535143364.db2.gz XMIMDSYREHMCRL-UHFFFAOYSA-N 1 3 321.509 2.584 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000262009958 535675388 /nfs/dbraw/zinc/67/53/88/535675388.db2.gz WINZATVMULRDOI-KZNAEPCWSA-N 1 3 317.477 2.561 20 0 DFADHO O[C@@H](CN1CCC(C[NH+]2CCCCCC2)CC1)CC(F)(F)F ZINC000682518239 545866926 /nfs/dbraw/zinc/86/69/26/545866926.db2.gz IVBAWTCTVHABFJ-OAHLLOKOSA-N 1 3 322.415 2.888 20 0 DFADHO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000684149277 546159529 /nfs/dbraw/zinc/15/95/29/546159529.db2.gz WPZAFDGKTZWLBY-FUHWJXTLSA-N 1 3 320.477 2.752 20 0 DFADHO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000684149277 546159532 /nfs/dbraw/zinc/15/95/32/546159532.db2.gz WPZAFDGKTZWLBY-FUHWJXTLSA-N 1 3 320.477 2.752 20 0 DFADHO CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCCN(C)C)c2)C1 ZINC000684371127 546202364 /nfs/dbraw/zinc/20/23/64/546202364.db2.gz LBWZOIBMNSOPCO-SJORKVTESA-N 1 3 306.450 2.674 20 0 DFADHO CO[C@@H]1CCC[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)C1 ZINC000684375713 546204236 /nfs/dbraw/zinc/20/42/36/546204236.db2.gz AEBVRJODSGRCAZ-PKOBYXMFSA-N 1 3 320.477 2.717 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+]Cc3ccc(C(F)F)cc3)C2)CC1 ZINC000684378924 546205008 /nfs/dbraw/zinc/20/50/08/546205008.db2.gz MHYRDLIMBVNCMO-MRXNPFEDSA-N 1 3 323.431 2.882 20 0 DFADHO CO[C@H](C)CN(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685447468 546351201 /nfs/dbraw/zinc/35/12/01/546351201.db2.gz BAPBTQURRUCSDQ-MRXNPFEDSA-N 1 3 306.450 2.628 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@@H]2CCOc3ccccc32)C1 ZINC000685471119 546357743 /nfs/dbraw/zinc/35/77/43/546357743.db2.gz NCIFZMROXMLMNM-XYJFISCASA-N 1 3 300.446 2.969 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@@H]2CCOc3ccccc32)C1 ZINC000685471119 546357745 /nfs/dbraw/zinc/35/77/45/546357745.db2.gz NCIFZMROXMLMNM-XYJFISCASA-N 1 3 300.446 2.969 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)Cc1cccc2cnccc21 ZINC000685475835 546359380 /nfs/dbraw/zinc/35/93/80/546359380.db2.gz MQKVBUJHTIUJFD-UHFFFAOYSA-N 1 3 314.477 2.550 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)Cc1cccc2cnccc21 ZINC000685475835 546359383 /nfs/dbraw/zinc/35/93/83/546359383.db2.gz MQKVBUJHTIUJFD-UHFFFAOYSA-N 1 3 314.477 2.550 20 0 DFADHO COc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278626219 214284912 /nfs/dbraw/zinc/28/49/12/214284912.db2.gz RRYVIAYAOJREAW-JKSUJKDBSA-N 1 3 306.450 2.847 20 0 DFADHO COc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278626219 214284915 /nfs/dbraw/zinc/28/49/15/214284915.db2.gz RRYVIAYAOJREAW-JKSUJKDBSA-N 1 3 306.450 2.847 20 0 DFADHO CCCCN1CCC([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000079000045 185144238 /nfs/dbraw/zinc/14/42/38/185144238.db2.gz MUIRSYZCGNZULS-UHFFFAOYSA-N 1 3 304.434 2.812 20 0 DFADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(N2CCOC2=O)cc1 ZINC000181296636 199278343 /nfs/dbraw/zinc/27/83/43/199278343.db2.gz FVJIYMIMZZVPIQ-GOEBONIOSA-N 1 3 317.433 2.778 20 0 DFADHO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000066045385 398356245 /nfs/dbraw/zinc/35/62/45/398356245.db2.gz FMGGPCYOGACZSL-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](N)CC(C)C)c1ccccc1 ZINC000236833320 398364055 /nfs/dbraw/zinc/36/40/55/398364055.db2.gz HUSXUXHDHHJDGQ-SJORKVTESA-N 1 3 305.466 2.559 20 0 DFADHO CC(C)OC1CC([NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000459331134 299082597 /nfs/dbraw/zinc/08/25/97/299082597.db2.gz URXYQSCUGRDUGB-FDCMFXBMSA-N 1 3 324.509 2.764 20 0 DFADHO C[NH+](C)CCOc1cccc(CNCc2ccc(O)cc2)c1 ZINC000237204349 398368108 /nfs/dbraw/zinc/36/81/08/398368108.db2.gz PTOGZOUEDWJIMF-UHFFFAOYSA-N 1 3 300.402 2.622 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCCOC(C)(C)C ZINC000354729267 282215880 /nfs/dbraw/zinc/21/58/80/282215880.db2.gz ISIYFYBDEOZZNP-ZACQAIPSSA-N 1 3 312.498 2.765 20 0 DFADHO C[C@H]1C[C@H](NCCOCC[NH+](C)C)c2ccsc2S1 ZINC000219312183 300521913 /nfs/dbraw/zinc/52/19/13/300521913.db2.gz KEWXUGRDASNXCO-AAEUAGOBSA-N 1 3 300.493 2.841 20 0 DFADHO C(C1CCCC1)N1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000459386444 299093159 /nfs/dbraw/zinc/09/31/59/299093159.db2.gz HFEMEYGXWPYCST-UHFFFAOYSA-N 1 3 305.510 2.857 20 0 DFADHO COCCc1nc(C)c([C@H](C)[NH2+]CC(C)(C)CN(C)C)s1 ZINC000092719510 185336314 /nfs/dbraw/zinc/33/63/14/185336314.db2.gz UWRWKDLXVRWXOW-LBPRGKRZSA-N 1 3 313.511 2.879 20 0 DFADHO c1cc(N2CCC([NH2+]C3CCN(CC4CC4)CC3)CC2)ccn1 ZINC000459394983 299094996 /nfs/dbraw/zinc/09/49/96/299094996.db2.gz SVDNHZAJIFCKKH-UHFFFAOYSA-N 1 3 314.477 2.514 20 0 DFADHO CCc1nc(CC[NH2+]C2CCN(c3ccncc3)CC2)cs1 ZINC000298249846 529734733 /nfs/dbraw/zinc/73/47/33/529734733.db2.gz DGEZDMQTDQIMTQ-UHFFFAOYSA-N 1 3 316.474 2.902 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000066960751 398410974 /nfs/dbraw/zinc/41/09/74/398410974.db2.gz OFJVFKXFINQVBJ-HOTGVXAUSA-N 1 3 311.514 2.734 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000066960751 398410975 /nfs/dbraw/zinc/41/09/75/398410975.db2.gz OFJVFKXFINQVBJ-HOTGVXAUSA-N 1 3 311.514 2.734 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000066960753 398410984 /nfs/dbraw/zinc/41/09/84/398410984.db2.gz OFJVFKXFINQVBJ-JKSUJKDBSA-N 1 3 311.514 2.734 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000066960753 398410985 /nfs/dbraw/zinc/41/09/85/398410985.db2.gz OFJVFKXFINQVBJ-JKSUJKDBSA-N 1 3 311.514 2.734 20 0 DFADHO C[C@@H](C(=O)N(CCC[NH3+])CC1CCCC1)[C@@H](N)c1ccccc1 ZINC000357352111 295712506 /nfs/dbraw/zinc/71/25/06/295712506.db2.gz LILQGWQVGGAZPU-CRAIPNDOSA-N 1 3 317.477 2.690 20 0 DFADHO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCC1CC[NH2+]CC1 ZINC000592493588 398433650 /nfs/dbraw/zinc/43/36/50/398433650.db2.gz XDBHXNQFVRYGGJ-ULQDDVLXSA-N 1 3 308.466 2.572 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCOCC1 ZINC000089215628 398444039 /nfs/dbraw/zinc/44/40/39/398444039.db2.gz YGNCVCNYKDRVND-OAHLLOKOSA-N 1 3 303.450 2.703 20 0 DFADHO C[C@@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)N1CCCCCC1 ZINC000374100306 295719260 /nfs/dbraw/zinc/71/92/60/295719260.db2.gz DILMNIPNHNXOBT-KRWDZBQOSA-N 1 3 321.509 2.585 20 0 DFADHO CC1(c2ccccc2)CC(NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000459460563 299111933 /nfs/dbraw/zinc/11/19/33/299111933.db2.gz FTGPEPDIRNEZOR-JLAWEPINSA-N 1 3 302.462 2.543 20 0 DFADHO CCO[C@@H]1C[C@H](NCC2(C[NH+](C)C)CCCC2)[C@H]1SC ZINC000459476266 299116025 /nfs/dbraw/zinc/11/60/25/299116025.db2.gz HKJYQMOWUPRFLG-RRFJBIMHSA-N 1 3 300.512 2.607 20 0 DFADHO CO[C@@H](CC[NH2+]C1CCN(c2ccncc2)CC1)C(F)(F)F ZINC000459495342 299120599 /nfs/dbraw/zinc/12/05/99/299120599.db2.gz LVGNGGFWSJMMMF-AWEZNQCLSA-N 1 3 317.355 2.607 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1ncc(Cl)cc1Cl ZINC000090450564 398486355 /nfs/dbraw/zinc/48/63/55/398486355.db2.gz GLVNJPFCUIWIQX-GWCFXTLKSA-N 1 3 318.248 2.697 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ncc(Cl)cc1Cl ZINC000090450564 398486357 /nfs/dbraw/zinc/48/63/57/398486357.db2.gz GLVNJPFCUIWIQX-GWCFXTLKSA-N 1 3 318.248 2.697 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1ncc(Cl)cc1Cl ZINC000090450563 398486626 /nfs/dbraw/zinc/48/66/26/398486626.db2.gz GLVNJPFCUIWIQX-MFKMUULPSA-N 1 3 318.248 2.697 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ncc(Cl)cc1Cl ZINC000090450563 398486630 /nfs/dbraw/zinc/48/66/30/398486630.db2.gz GLVNJPFCUIWIQX-MFKMUULPSA-N 1 3 318.248 2.697 20 0 DFADHO C[C@H](CCNC1CC[NH+](C2CCCCC2)CC1)[S@@](C)=O ZINC000090516812 398488140 /nfs/dbraw/zinc/48/81/40/398488140.db2.gz JDZPIRQODXPLQT-VLIAUNLRSA-N 1 3 300.512 2.530 20 0 DFADHO CCOc1cc(C[N@@H+]2CCCC23CCN(C)CC3)ccc1O ZINC000459521466 299124367 /nfs/dbraw/zinc/12/43/67/299124367.db2.gz TZXYJJGGXWXAKL-UHFFFAOYSA-N 1 3 304.434 2.851 20 0 DFADHO CCOc1cc(C[N@H+]2CCCC23CCN(C)CC3)ccc1O ZINC000459521466 299124370 /nfs/dbraw/zinc/12/43/70/299124370.db2.gz TZXYJJGGXWXAKL-UHFFFAOYSA-N 1 3 304.434 2.851 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cccc(-c2cnn(C)c2)c1 ZINC000090920331 398496736 /nfs/dbraw/zinc/49/67/36/398496736.db2.gz YPFZWLHXZBSCED-ZRGWGRIASA-N 1 3 312.461 2.905 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cccc(-c2cnn(C)c2)c1 ZINC000090920331 398496739 /nfs/dbraw/zinc/49/67/39/398496739.db2.gz YPFZWLHXZBSCED-ZRGWGRIASA-N 1 3 312.461 2.905 20 0 DFADHO C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000272691510 210097831 /nfs/dbraw/zinc/09/78/31/210097831.db2.gz POABDWRNGIPBCB-RSPOEFSDSA-N 1 3 316.489 2.895 20 0 DFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000588773414 398507005 /nfs/dbraw/zinc/50/70/05/398507005.db2.gz MWWJPROXHHGVKX-KRWDZBQOSA-N 1 3 318.465 2.743 20 0 DFADHO C[C@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCO[C@H]1C1CC1 ZINC000459540944 299129046 /nfs/dbraw/zinc/12/90/46/299129046.db2.gz VSKJDHLSTZBGBS-RBUKOAKNSA-N 1 3 315.461 2.845 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCN1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272674584 210078842 /nfs/dbraw/zinc/07/88/42/210078842.db2.gz QOFXJAMPHBLNSU-QXAKKESOSA-N 1 3 301.478 2.581 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(CN(C)C)c2)cn1 ZINC000414074011 295764155 /nfs/dbraw/zinc/76/41/55/295764155.db2.gz WLJBPJCUDZVOAP-OAHLLOKOSA-N 1 3 313.445 2.873 20 0 DFADHO C[C@@]1(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CCCCN1 ZINC000317388421 398535435 /nfs/dbraw/zinc/53/54/35/398535435.db2.gz GJWWOSVBDOIIMY-SFHVURJKSA-N 1 3 301.434 2.753 20 0 DFADHO C[C@@H](c1cccnc1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000069016929 398543462 /nfs/dbraw/zinc/54/34/62/398543462.db2.gz NMMKCLCTTASKLD-ZACQAIPSSA-N 1 3 317.477 2.964 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000323689595 398560437 /nfs/dbraw/zinc/56/04/37/398560437.db2.gz RFFWHRXCSQLCHE-SFHVURJKSA-N 1 3 323.525 2.863 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000323689595 398560441 /nfs/dbraw/zinc/56/04/41/398560441.db2.gz RFFWHRXCSQLCHE-SFHVURJKSA-N 1 3 323.525 2.863 20 0 DFADHO Cc1ccc(CNC2CCC([NH+]3CCC(C)CC3)CC2)nn1 ZINC000414362596 295792750 /nfs/dbraw/zinc/79/27/50/295792750.db2.gz FIWWLMGFYUEMGR-UHFFFAOYSA-N 1 3 302.466 2.918 20 0 DFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000092742006 398598089 /nfs/dbraw/zinc/59/80/89/398598089.db2.gz DLOLXAWMSMEJRA-ZNMIVQPWSA-N 1 3 309.429 2.761 20 0 DFADHO CSC[C@H]1CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000093760721 398643152 /nfs/dbraw/zinc/64/31/52/398643152.db2.gz SNOMAWCZZXMEKO-MRXNPFEDSA-N 1 3 308.491 2.954 20 0 DFADHO CSC[C@H]1CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000093760721 398643154 /nfs/dbraw/zinc/64/31/54/398643154.db2.gz SNOMAWCZZXMEKO-MRXNPFEDSA-N 1 3 308.491 2.954 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000274256835 282713000 /nfs/dbraw/zinc/71/30/00/282713000.db2.gz JGFHFELEDRWTMB-DLBZAZTESA-N 1 3 302.462 2.615 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]CC2(CCO)CCCC2)cc1 ZINC000072925731 398648680 /nfs/dbraw/zinc/64/86/80/398648680.db2.gz MKOKZLXMMROIEB-UHFFFAOYSA-N 1 3 320.477 2.659 20 0 DFADHO C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[C@@H](N)c1ccccc1 ZINC000237504138 186298652 /nfs/dbraw/zinc/29/86/52/186298652.db2.gz SOILJWYCTHNAEN-XYJFISCASA-N 1 3 317.477 2.703 20 0 DFADHO C[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[C@@H](N)c1ccccc1 ZINC000237504138 186298654 /nfs/dbraw/zinc/29/86/54/186298654.db2.gz SOILJWYCTHNAEN-XYJFISCASA-N 1 3 317.477 2.703 20 0 DFADHO COc1cc(OC)c(CNCC[C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000459726066 299174071 /nfs/dbraw/zinc/17/40/71/299174071.db2.gz GDMNSBQDQCYKPE-AWEZNQCLSA-N 1 3 322.449 2.534 20 0 DFADHO COc1cc(OC)c(CNCC[C@@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000459726066 299174076 /nfs/dbraw/zinc/17/40/76/299174076.db2.gz GDMNSBQDQCYKPE-AWEZNQCLSA-N 1 3 322.449 2.534 20 0 DFADHO COc1cc(OC)c(OC)cc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459735003 299176699 /nfs/dbraw/zinc/17/66/99/299176699.db2.gz PGZZMZJMUNHSMO-CQSZACIVSA-N 1 3 322.449 2.534 20 0 DFADHO COc1cc(OC)c(OC)cc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459735003 299176701 /nfs/dbraw/zinc/17/67/01/299176701.db2.gz PGZZMZJMUNHSMO-CQSZACIVSA-N 1 3 322.449 2.534 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNCC[C@@H]2CCC[NH2+]C2)c1 ZINC000414835897 295824155 /nfs/dbraw/zinc/82/41/55/295824155.db2.gz IRVPNQUPCNPGER-LBPRGKRZSA-N 1 3 310.825 2.606 20 0 DFADHO COc1ccc(OC(F)F)c(CNCC[C@H]2CCC[NH2+]C2)c1 ZINC000414851212 295826009 /nfs/dbraw/zinc/82/60/09/295826009.db2.gz NUAYVTZGJZRDCT-GFCCVEGCSA-N 1 3 314.376 2.776 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000172047212 198030528 /nfs/dbraw/zinc/03/05/28/198030528.db2.gz HJLNSHYUFDRZMP-INIZCTEOSA-N 1 3 318.465 2.554 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000172047212 198030530 /nfs/dbraw/zinc/03/05/30/198030530.db2.gz HJLNSHYUFDRZMP-INIZCTEOSA-N 1 3 318.465 2.554 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414862415 295827791 /nfs/dbraw/zinc/82/77/91/295827791.db2.gz XOUPBYYPYSWFAA-YQQAZPJKSA-N 1 3 317.477 2.944 20 0 DFADHO Cc1nc(COc2ccc(CN[C@@H](C)CC[NH3+])cc2)cs1 ZINC000414898869 295832065 /nfs/dbraw/zinc/83/20/65/295832065.db2.gz UEXSHQITGPYVKA-LBPRGKRZSA-N 1 3 305.447 2.857 20 0 DFADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)NCC[C@H]1CCC[NH2+]1 ZINC000414901709 295832492 /nfs/dbraw/zinc/83/24/92/295832492.db2.gz GOIIYGIRZXMNTF-JKSUJKDBSA-N 1 3 306.450 2.757 20 0 DFADHO CC[N@H+](CCCNC1CC(CC(=O)OC)C1)C1CCCCC1 ZINC000593660934 398667102 /nfs/dbraw/zinc/66/71/02/398667102.db2.gz RXJKRHNKXQHIKA-UHFFFAOYSA-N 1 3 310.482 2.962 20 0 DFADHO CC[N@@H+](CCCNC1CC(CC(=O)OC)C1)C1CCCCC1 ZINC000593660934 398667105 /nfs/dbraw/zinc/66/71/05/398667105.db2.gz RXJKRHNKXQHIKA-UHFFFAOYSA-N 1 3 310.482 2.962 20 0 DFADHO CCC[C@@H](C)NC(=O)[C@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786276 398673764 /nfs/dbraw/zinc/67/37/64/398673764.db2.gz LZPZEZLZIONIIP-CVEARBPZSA-N 1 3 311.514 2.732 20 0 DFADHO CCC[C@@H](C)NC(=O)[C@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786276 398673767 /nfs/dbraw/zinc/67/37/67/398673767.db2.gz LZPZEZLZIONIIP-CVEARBPZSA-N 1 3 311.514 2.732 20 0 DFADHO COc1ccc2nc(CNC[C@@H]3CCC[C@H]([NH3+])C3)sc2c1 ZINC000414996800 295845233 /nfs/dbraw/zinc/84/52/33/295845233.db2.gz GRNINDFXAHATAW-NEPJUHHUSA-N 1 3 305.447 2.912 20 0 DFADHO CC(C)[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C1CC1 ZINC000124772534 282871187 /nfs/dbraw/zinc/87/11/87/282871187.db2.gz BAATVSJNNAGAMW-SFHVURJKSA-N 1 3 307.526 2.961 20 0 DFADHO COc1ccc(C(C)(C)CNC[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000415078551 295855318 /nfs/dbraw/zinc/85/53/18/295855318.db2.gz IWLMIFUNGXXICO-SFHVURJKSA-N 1 3 306.450 2.571 20 0 DFADHO COc1ccc(C(C)(C)CN[C@@H](C)[C@H]2CC[NH2+]C2)cc1OC ZINC000415074673 295854759 /nfs/dbraw/zinc/85/47/59/295854759.db2.gz DCNIJZWVPGFVIY-KBPBESRZSA-N 1 3 306.450 2.569 20 0 DFADHO FC(F)(F)Oc1ccccc1CCNC[C@H]1CCC[NH2+]C1 ZINC000415080000 295855670 /nfs/dbraw/zinc/85/56/70/295855670.db2.gz IOWUTGAAXNWNRI-LBPRGKRZSA-N 1 3 302.340 2.717 20 0 DFADHO CC(C)CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)C(C)(C)C ZINC000415082825 295855799 /nfs/dbraw/zinc/85/57/99/295855799.db2.gz MLNORYHBGOZRJW-CVEARBPZSA-N 1 3 311.514 2.624 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000415087630 295856624 /nfs/dbraw/zinc/85/66/24/295856624.db2.gz WGYMMVXCXREZLI-UAGQMJEPSA-N 1 3 306.425 2.887 20 0 DFADHO C[C@]1(CNC2CCN(Cc3ccc(F)c(F)c3)CC2)CC[NH2+]C1 ZINC000415097742 295857620 /nfs/dbraw/zinc/85/76/20/295857620.db2.gz DIMQKMBCIRWKPP-SFHVURJKSA-N 1 3 323.431 2.518 20 0 DFADHO C[C@H](Cc1ccccc1Br)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000415115314 295860097 /nfs/dbraw/zinc/86/00/97/295860097.db2.gz GXZPAHXQPDVPHB-YRGRVCCFSA-N 1 3 311.267 2.968 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000174520161 198345597 /nfs/dbraw/zinc/34/55/97/198345597.db2.gz LNIWMWYABVOBAC-GOSISDBHSA-N 1 3 317.477 2.528 20 0 DFADHO CCOc1cccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415130290 295862570 /nfs/dbraw/zinc/86/25/70/295862570.db2.gz WSYMAXJYULTCAQ-MJGOQNOKSA-N 1 3 318.461 2.804 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000236769960 202000556 /nfs/dbraw/zinc/00/05/56/202000556.db2.gz TUXFLJLMHBHLHQ-SFHVURJKSA-N 1 3 317.477 2.518 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129276710 283008981 /nfs/dbraw/zinc/00/89/81/283008981.db2.gz HLSUTNSRUDRCHA-LSDHHAIUSA-N 1 3 321.431 2.725 20 0 DFADHO CC[NH+](CC)CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000074164432 398728073 /nfs/dbraw/zinc/72/80/73/398728073.db2.gz KOWGKERHTCZJPB-UHFFFAOYSA-N 1 3 317.433 2.566 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130483015 283050542 /nfs/dbraw/zinc/05/05/42/283050542.db2.gz VOPKHNONRSGRSD-PMACEKPBSA-N 1 3 315.505 2.940 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C[C@H]1C ZINC000591282625 398745361 /nfs/dbraw/zinc/74/53/61/398745361.db2.gz HUUABTLMQYOZSP-QKPAOTATSA-N 1 3 308.466 2.619 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415981448 295908319 /nfs/dbraw/zinc/90/83/19/295908319.db2.gz JEGKWQBMNKBPKL-UHFFFAOYSA-N 1 3 318.465 2.746 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2cnc(C3CC3)s2)C[C@H](C)O1 ZINC000134251495 283178669 /nfs/dbraw/zinc/17/86/69/283178669.db2.gz OMAKULVALHFKNE-KBPBESRZSA-N 1 3 323.506 3.000 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000236947441 202086347 /nfs/dbraw/zinc/08/63/47/202086347.db2.gz ZQYPNMLDCGTSTH-PBHICJAKSA-N 1 3 305.466 2.518 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000237000785 202116076 /nfs/dbraw/zinc/11/60/76/202116076.db2.gz QRLOKGSBZVYCIA-BQFCYCMXSA-N 1 3 323.525 2.863 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000237000785 202116079 /nfs/dbraw/zinc/11/60/79/202116079.db2.gz QRLOKGSBZVYCIA-BQFCYCMXSA-N 1 3 323.525 2.863 20 0 DFADHO Cc1ccc(NC(=O)CCC2CC[NH2+]CC2)c(CN(C)C)c1 ZINC000237036429 202129798 /nfs/dbraw/zinc/12/97/98/202129798.db2.gz VSTIMQJQQZPGJA-UHFFFAOYSA-N 1 3 303.450 2.775 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000237023890 202125607 /nfs/dbraw/zinc/12/56/07/202125607.db2.gz KJWFDVSZOBUYSC-HOTGVXAUSA-N 1 3 309.498 2.665 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000237082133 202146684 /nfs/dbraw/zinc/14/66/84/202146684.db2.gz KKKDJEPTALZLPI-WMLDXEAASA-N 1 3 305.466 2.516 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000237082133 202146687 /nfs/dbraw/zinc/14/66/87/202146687.db2.gz KKKDJEPTALZLPI-WMLDXEAASA-N 1 3 305.466 2.516 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000365754236 283209553 /nfs/dbraw/zinc/20/95/53/283209553.db2.gz UEEBPJOLWATJNS-SJORKVTESA-N 1 3 309.498 2.584 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1OC ZINC000237221476 202194077 /nfs/dbraw/zinc/19/40/77/202194077.db2.gz HEHIXVXLSOCVCN-JKSUJKDBSA-N 1 3 320.477 2.956 20 0 DFADHO COC(=O)c1cc(CN2CCC(CC[NH+](C)C)CC2)c(C)o1 ZINC000050031384 398802974 /nfs/dbraw/zinc/80/29/74/398802974.db2.gz WJCSLTXYQBZKJU-UHFFFAOYSA-N 1 3 308.422 2.538 20 0 DFADHO C[C@H]1C[C@@H](N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000179523673 199050690 /nfs/dbraw/zinc/05/06/90/199050690.db2.gz AMBRRVRRIJRYSO-MZTNWIODSA-N 1 3 323.431 2.782 20 0 DFADHO C[C@H]1C[C@@H](N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000179523673 199050692 /nfs/dbraw/zinc/05/06/92/199050692.db2.gz AMBRRVRRIJRYSO-MZTNWIODSA-N 1 3 323.431 2.782 20 0 DFADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)c(C)o1 ZINC000594599583 398828218 /nfs/dbraw/zinc/82/82/18/398828218.db2.gz HMYCDWAVPUHZLJ-CQSZACIVSA-N 1 3 322.449 2.976 20 0 DFADHO COC(=O)c1cc(CNCCCC[N@H+]2CCC[C@@H](C)C2)c(C)o1 ZINC000594599583 398828221 /nfs/dbraw/zinc/82/82/21/398828221.db2.gz HMYCDWAVPUHZLJ-CQSZACIVSA-N 1 3 322.449 2.976 20 0 DFADHO CCC[NH+]1CCC(CNCc2cc(C(=O)OC)oc2C)CC1 ZINC000594611432 398831971 /nfs/dbraw/zinc/83/19/71/398831971.db2.gz FDNNTOOVFJQPQO-UHFFFAOYSA-N 1 3 308.422 2.586 20 0 DFADHO c1cn(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000180104910 199117715 /nfs/dbraw/zinc/11/77/15/199117715.db2.gz QZNVZVAGKPDTTM-YQQQUEKLSA-N 1 3 310.445 2.668 20 0 DFADHO c1cn(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000180104910 199117716 /nfs/dbraw/zinc/11/77/16/199117716.db2.gz QZNVZVAGKPDTTM-YQQQUEKLSA-N 1 3 310.445 2.668 20 0 DFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(N[C@H]2CCCOC2)C3)cc1 ZINC000180126160 199120109 /nfs/dbraw/zinc/12/01/09/199120109.db2.gz QEIXJLQUGJNOCV-QBUWPKIASA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(N[C@H]2CCCOC2)C3)cc1 ZINC000180126160 199120111 /nfs/dbraw/zinc/12/01/11/199120111.db2.gz QEIXJLQUGJNOCV-QBUWPKIASA-N 1 3 300.446 2.951 20 0 DFADHO CC[C@@H](COC)[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180166630 199126331 /nfs/dbraw/zinc/12/63/31/199126331.db2.gz XCVPNHCBSZQBKS-VJANTYMQSA-N 1 3 302.462 2.912 20 0 DFADHO CC(C)N1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000076519388 398859689 /nfs/dbraw/zinc/85/96/89/398859689.db2.gz XZJBMVXSYDLJKT-LJQANCHMSA-N 1 3 315.505 2.971 20 0 DFADHO CC(C)N1CCC([NH2+]C[C@](C)(O)c2ccc(F)cc2F)CC1 ZINC000180458606 199161391 /nfs/dbraw/zinc/16/13/91/199161391.db2.gz JXNJIVPJOCXRPP-KRWDZBQOSA-N 1 3 312.404 2.635 20 0 DFADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000594938440 398877075 /nfs/dbraw/zinc/87/70/75/398877075.db2.gz WDMFDGKIKWASSB-RKTXRCNFSA-N 1 3 308.466 2.571 20 0 DFADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000594938440 398877080 /nfs/dbraw/zinc/87/70/80/398877080.db2.gz WDMFDGKIKWASSB-RKTXRCNFSA-N 1 3 308.466 2.571 20 0 DFADHO Cc1cc(C)cc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000180953965 199233061 /nfs/dbraw/zinc/23/30/61/199233061.db2.gz DROIMVPHYFGCRG-UHFFFAOYSA-N 1 3 303.494 2.761 20 0 DFADHO Cc1cc(C)cc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000180953965 199233063 /nfs/dbraw/zinc/23/30/63/199233063.db2.gz DROIMVPHYFGCRG-UHFFFAOYSA-N 1 3 303.494 2.761 20 0 DFADHO COC(=O)c1coc([C@H](C)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000595102457 398906072 /nfs/dbraw/zinc/90/60/72/398906072.db2.gz IEEIOZREMFIRMT-ZDUSSCGKSA-N 1 3 320.433 2.839 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C[C@H]1C ZINC000599071636 398917222 /nfs/dbraw/zinc/91/72/22/398917222.db2.gz RQJDPVFZPKGJFM-WCXIOVBPSA-N 1 3 310.482 2.676 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C2(N)CCCCC2)C1 ZINC000237548185 202279692 /nfs/dbraw/zinc/27/96/92/202279692.db2.gz RTUXHWGLVIKGPO-GJZGRUSLSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(CN(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000237606682 202300398 /nfs/dbraw/zinc/30/03/98/202300398.db2.gz KJHZORYBZDLDPV-HOCLYGCPSA-N 1 3 303.450 2.713 20 0 DFADHO Cc1nccnc1[C@@H](C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000188167042 200203604 /nfs/dbraw/zinc/20/36/04/200203604.db2.gz ZILLLEBGHYHKNO-OAHLLOKOSA-N 1 3 311.433 2.747 20 0 DFADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000237674272 202325031 /nfs/dbraw/zinc/32/50/31/202325031.db2.gz VHSHEMPFMLPUSM-CQSZACIVSA-N 1 3 321.431 2.867 20 0 DFADHO C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cccc(OCCN(C)C)c1 ZINC000281155347 216116622 /nfs/dbraw/zinc/11/66/22/216116622.db2.gz OTTVRMWAVMGOTJ-CRAIPNDOSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1cccc(OCCN(C)C)c1 ZINC000281155356 216116754 /nfs/dbraw/zinc/11/67/54/216116754.db2.gz OTTVRMWAVMGOTJ-QAPCUYQASA-N 1 3 320.477 2.829 20 0 DFADHO CN(C)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000417353031 296013242 /nfs/dbraw/zinc/01/32/42/296013242.db2.gz HUFLRYCNFIYIJO-REPLKXPHSA-N 1 3 313.489 2.866 20 0 DFADHO CN(C)C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000417353031 296013243 /nfs/dbraw/zinc/01/32/43/296013243.db2.gz HUFLRYCNFIYIJO-REPLKXPHSA-N 1 3 313.489 2.866 20 0 DFADHO CN(C)C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000417353031 296013244 /nfs/dbraw/zinc/01/32/44/296013244.db2.gz HUFLRYCNFIYIJO-REPLKXPHSA-N 1 3 313.489 2.866 20 0 DFADHO C[C@@H]([NH3+])CCC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000193291127 296017502 /nfs/dbraw/zinc/01/75/02/296017502.db2.gz OPTJUDLENZLGRD-HUUCEWRRSA-N 1 3 323.506 2.765 20 0 DFADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@H]1CCOC1 ZINC000471872720 299311927 /nfs/dbraw/zinc/31/19/27/299311927.db2.gz RALMXKHWTURQFE-QYZOEREBSA-N 1 3 302.462 2.695 20 0 DFADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H]1CCOC1 ZINC000471872720 299311930 /nfs/dbraw/zinc/31/19/30/299311930.db2.gz RALMXKHWTURQFE-QYZOEREBSA-N 1 3 302.462 2.695 20 0 DFADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000158658317 398959501 /nfs/dbraw/zinc/95/95/01/398959501.db2.gz OVBRHDCNFYAUKM-HUUCEWRRSA-N 1 3 317.468 2.674 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC2CCN(CC(F)F)CC2)C1 ZINC000158658317 398959507 /nfs/dbraw/zinc/95/95/07/398959507.db2.gz OVBRHDCNFYAUKM-HUUCEWRRSA-N 1 3 317.468 2.674 20 0 DFADHO COc1cc([C@@H](C)NCC2=CC[N@H+](C)CC2)cc(OC)c1OC ZINC000271895566 209305807 /nfs/dbraw/zinc/30/58/07/209305807.db2.gz UCFPBQGRVYCEJO-CYBMUJFWSA-N 1 3 320.433 2.625 20 0 DFADHO COc1cc([C@@H](C)NCC2=CC[N@@H+](C)CC2)cc(OC)c1OC ZINC000271895566 209305811 /nfs/dbraw/zinc/30/58/11/209305811.db2.gz UCFPBQGRVYCEJO-CYBMUJFWSA-N 1 3 320.433 2.625 20 0 DFADHO COc1cc([C@H](C)NCC2=CC[N@H+](C)CC2)cc(OC)c1OC ZINC000271896397 209305355 /nfs/dbraw/zinc/30/53/55/209305355.db2.gz UCFPBQGRVYCEJO-ZDUSSCGKSA-N 1 3 320.433 2.625 20 0 DFADHO COc1cc([C@H](C)NCC2=CC[N@@H+](C)CC2)cc(OC)c1OC ZINC000271896397 209305357 /nfs/dbraw/zinc/30/53/57/209305357.db2.gz UCFPBQGRVYCEJO-ZDUSSCGKSA-N 1 3 320.433 2.625 20 0 DFADHO COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC1=CCN(C)CC1 ZINC000271868056 209281773 /nfs/dbraw/zinc/28/17/73/209281773.db2.gz LVYNIURATXVZSA-SFHVURJKSA-N 1 3 306.425 2.625 20 0 DFADHO CC(C)[NH2+]CCC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000166852480 398993426 /nfs/dbraw/zinc/99/34/26/398993426.db2.gz AUXAXBOOHOXDFM-UHFFFAOYSA-N 1 3 318.465 2.519 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1=CCN(C)CC1 ZINC000271848698 209264300 /nfs/dbraw/zinc/26/43/00/209264300.db2.gz IIFSNBJEMWHHGV-ZDUSSCGKSA-N 1 3 321.852 2.909 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000621651890 399008972 /nfs/dbraw/zinc/00/89/72/399008972.db2.gz RUZKKJOCXJPQQL-ZNMIVQPWSA-N 1 3 318.465 2.551 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000621651890 399008977 /nfs/dbraw/zinc/00/89/77/399008977.db2.gz RUZKKJOCXJPQQL-ZNMIVQPWSA-N 1 3 318.465 2.551 20 0 DFADHO CCC[NH+]1CCC(CNCc2ccccc2C(=O)N(C)C)CC1 ZINC000417909107 296062684 /nfs/dbraw/zinc/06/26/84/296062684.db2.gz HSODHBQFXKOIEN-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO CC(CN1CCCOC(C)(C)C1)C[N@@H+]1CCCOC(C)(C)C1 ZINC000605575692 399034285 /nfs/dbraw/zinc/03/42/85/399034285.db2.gz PFGVPWGAJWWSGN-UHFFFAOYSA-N 1 3 312.498 2.624 20 0 DFADHO CC(CN1CCCOC(C)(C)C1)C[N@H+]1CCCOC(C)(C)C1 ZINC000605575692 399034286 /nfs/dbraw/zinc/03/42/86/399034286.db2.gz PFGVPWGAJWWSGN-UHFFFAOYSA-N 1 3 312.498 2.624 20 0 DFADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC1(N(C)C)CC1 ZINC000418114330 296079237 /nfs/dbraw/zinc/07/92/37/296079237.db2.gz LGDNCVGEKXVFHH-UHFFFAOYSA-N 1 3 303.494 2.828 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H](C)CCCC[NH3+])cc1 ZINC000418352569 296087670 /nfs/dbraw/zinc/08/76/70/296087670.db2.gz MTCBLMBCRUICBX-RHSMWYFYSA-N 1 3 320.481 2.627 20 0 DFADHO CC[N@H+](CCC(=O)OC(C)C)Cc1ccc(CN(C)C)cc1 ZINC000599658543 399048555 /nfs/dbraw/zinc/04/85/55/399048555.db2.gz BBNLKNSAOJCUDN-UHFFFAOYSA-N 1 3 306.450 2.912 20 0 DFADHO CC[N@@H+](CCC(=O)OC(C)C)Cc1ccc(CN(C)C)cc1 ZINC000599658543 399048558 /nfs/dbraw/zinc/04/85/58/399048558.db2.gz BBNLKNSAOJCUDN-UHFFFAOYSA-N 1 3 306.450 2.912 20 0 DFADHO N[C@]12CCC[C@@H]1C[N@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000621780945 399076187 /nfs/dbraw/zinc/07/61/87/399076187.db2.gz XNYHHATWOYSJJK-UZLBHIALSA-N 1 3 323.440 2.982 20 0 DFADHO N[C@]12CCC[C@@H]1C[N@@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000621780945 399076194 /nfs/dbraw/zinc/07/61/94/399076194.db2.gz XNYHHATWOYSJJK-UZLBHIALSA-N 1 3 323.440 2.982 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CCOCC3CCC3)CC2)C[C@H](C)O1 ZINC000419192534 296127494 /nfs/dbraw/zinc/12/74/94/296127494.db2.gz PBXBZGARHZNTFG-CALCHBBNSA-N 1 3 324.509 2.624 20 0 DFADHO CC[C@H](CN1CCC[C@H]([N@H+](C)C[C@@H](CC)OC)CC1)OC ZINC000419247564 296129819 /nfs/dbraw/zinc/12/98/19/296129819.db2.gz XFZGZFCMKDCAEY-GVDBMIGSSA-N 1 3 300.487 2.623 20 0 DFADHO CC[C@H](CN1CCC[C@H]([N@@H+](C)C[C@@H](CC)OC)CC1)OC ZINC000419247564 296129820 /nfs/dbraw/zinc/12/98/20/296129820.db2.gz XFZGZFCMKDCAEY-GVDBMIGSSA-N 1 3 300.487 2.623 20 0 DFADHO CC[C@H](CN(C)[C@H]1CCC[N@H+](C[C@@H](CC)OC)CC1)OC ZINC000419247564 296129822 /nfs/dbraw/zinc/12/98/22/296129822.db2.gz XFZGZFCMKDCAEY-GVDBMIGSSA-N 1 3 300.487 2.623 20 0 DFADHO CC[C@H](CN(C)[C@H]1CCC[N@@H+](C[C@@H](CC)OC)CC1)OC ZINC000419247564 296129823 /nfs/dbraw/zinc/12/98/23/296129823.db2.gz XFZGZFCMKDCAEY-GVDBMIGSSA-N 1 3 300.487 2.623 20 0 DFADHO C[C@@H]1CCC[C@@](CNC(=O)C[C@H](N)c2ccccc2)([NH+](C)C)C1 ZINC000261844425 203132946 /nfs/dbraw/zinc/13/29/46/203132946.db2.gz ZDKZKBXNQRVTDX-HHXXYDBFSA-N 1 3 317.477 2.703 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000262006814 203172941 /nfs/dbraw/zinc/17/29/41/203172941.db2.gz VUNLUWPYMYLYLW-RCCFBDPRSA-N 1 3 317.477 2.703 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262111958 203201948 /nfs/dbraw/zinc/20/19/48/203201948.db2.gz HCHWIHGEGBTCSE-MAUKXSAKSA-N 1 3 317.477 2.662 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262111958 203201950 /nfs/dbraw/zinc/20/19/50/203201950.db2.gz HCHWIHGEGBTCSE-MAUKXSAKSA-N 1 3 317.477 2.662 20 0 DFADHO CCC[C@](C)(N)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000262711653 203389199 /nfs/dbraw/zinc/38/91/99/203389199.db2.gz QTKHLNOFWPTIIS-SFHVURJKSA-N 1 3 305.466 2.661 20 0 DFADHO CCC[C@](C)(N)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000262711653 203389201 /nfs/dbraw/zinc/38/92/01/203389201.db2.gz QTKHLNOFWPTIIS-SFHVURJKSA-N 1 3 305.466 2.661 20 0 DFADHO CN(C)Cc1ccc(C(=O)NCCC[NH2+]C2CCCCC2)cc1 ZINC000419908609 296151127 /nfs/dbraw/zinc/15/11/27/296151127.db2.gz IVCDGQKYMIHKLO-UHFFFAOYSA-N 1 3 317.477 2.790 20 0 DFADHO C[C@@H](NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000282445857 217002007 /nfs/dbraw/zinc/00/20/07/217002007.db2.gz UUJCTRCOVNDPHP-CYBMUJFWSA-N 1 3 311.420 2.641 20 0 DFADHO C[C@@H](NCCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000282445857 217002008 /nfs/dbraw/zinc/00/20/08/217002008.db2.gz UUJCTRCOVNDPHP-CYBMUJFWSA-N 1 3 311.420 2.641 20 0 DFADHO Cc1cc(N2CC[NH2+]C[C@@H]2C)c2cc(OC(F)F)ccc2n1 ZINC000420180100 296160650 /nfs/dbraw/zinc/16/06/50/296160650.db2.gz WNTKTFLANQQNKT-NSHDSACASA-N 1 3 307.344 2.943 20 0 DFADHO Cc1cc(NCC[C@H]2CC[NH2+]C2)c2cc(OC(F)F)ccc2n1 ZINC000420184201 296161136 /nfs/dbraw/zinc/16/11/36/296161136.db2.gz ICNKZVOAFVSJFV-GFCCVEGCSA-N 1 3 321.371 2.978 20 0 DFADHO CCOc1cc2nccc(N3CCC[C@@H]3C[NH3+])c2cc1OCC ZINC000420205800 296162245 /nfs/dbraw/zinc/16/22/45/296162245.db2.gz UNDWVELHIJZLTK-CYBMUJFWSA-N 1 3 315.417 2.960 20 0 DFADHO CCOc1cc2nccc(N3CC[C@@H]([NH3+])[C@@H]3C)c2cc1OCC ZINC000420246797 296165335 /nfs/dbraw/zinc/16/53/35/296165335.db2.gz GHUUUZZDYQUENN-GXTWGEPZSA-N 1 3 315.417 2.958 20 0 DFADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccccc2C)CC1 ZINC000264642863 204049399 /nfs/dbraw/zinc/04/93/99/204049399.db2.gz VTJZTUZHQHWEOD-GOSISDBHSA-N 1 3 320.477 2.541 20 0 DFADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2C)CC1 ZINC000264642863 204049402 /nfs/dbraw/zinc/04/94/02/204049402.db2.gz VTJZTUZHQHWEOD-GOSISDBHSA-N 1 3 320.477 2.541 20 0 DFADHO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420294531 296170547 /nfs/dbraw/zinc/17/05/47/296170547.db2.gz AZUAWFYBLXJIJI-MHORFTMASA-N 1 3 322.518 2.523 20 0 DFADHO CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420294531 296170548 /nfs/dbraw/zinc/17/05/48/296170548.db2.gz AZUAWFYBLXJIJI-MHORFTMASA-N 1 3 322.518 2.523 20 0 DFADHO CCS[C@@H]1CC[C@H](N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420294531 296170549 /nfs/dbraw/zinc/17/05/49/296170549.db2.gz AZUAWFYBLXJIJI-MHORFTMASA-N 1 3 322.518 2.523 20 0 DFADHO CCCN(CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccccc1C ZINC000420300475 296171742 /nfs/dbraw/zinc/17/17/42/296171742.db2.gz HNUIBFFVVBEAAP-MRXNPFEDSA-N 1 3 303.450 2.645 20 0 DFADHO Cc1cc(C)cc(NC(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000420302167 296171747 /nfs/dbraw/zinc/17/17/47/296171747.db2.gz BGSZKCBPFQYYNM-CVEARBPZSA-N 1 3 303.450 2.691 20 0 DFADHO CC(C)[C@@](C)(C[NH3+])NCCOc1ccccc1Br ZINC000420298683 296171320 /nfs/dbraw/zinc/17/13/20/296171320.db2.gz FQXHZSFODUPDNB-CQSZACIVSA-N 1 3 315.255 2.791 20 0 DFADHO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420299286 296171421 /nfs/dbraw/zinc/17/14/21/296171421.db2.gz IRJOCBSCDZRXSB-DBOLQNLKSA-N 1 3 324.468 2.795 20 0 DFADHO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420299286 296171422 /nfs/dbraw/zinc/17/14/22/296171422.db2.gz IRJOCBSCDZRXSB-DBOLQNLKSA-N 1 3 324.468 2.795 20 0 DFADHO Clc1ccccc1[C@@H]1CNCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420303202 296172107 /nfs/dbraw/zinc/17/21/07/296172107.db2.gz CGPUQTWEFOCEKB-YOEHRIQHSA-N 1 3 307.869 2.676 20 0 DFADHO COC(=O)CCC[N@@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000420304603 296172126 /nfs/dbraw/zinc/17/21/26/296172126.db2.gz FDFLAYBHKWDVBG-ZWKOTPCHSA-N 1 3 318.461 2.612 20 0 DFADHO COC(=O)CCC[N@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000420304603 296172127 /nfs/dbraw/zinc/17/21/27/296172127.db2.gz FDFLAYBHKWDVBG-ZWKOTPCHSA-N 1 3 318.461 2.612 20 0 DFADHO CCc1ccccc1NC(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000420302411 296171849 /nfs/dbraw/zinc/17/18/49/296171849.db2.gz FYVSJXFMQHIKBU-HNNXBMFYSA-N 1 3 315.461 2.652 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCN)[C@H]2CCCC[C@@H]12 ZINC000420302087 296171863 /nfs/dbraw/zinc/17/18/63/296171863.db2.gz LZPAKPHMULSZLA-VIQHNZTISA-N 1 3 309.498 2.519 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCN)[C@H]2CCCC[C@@H]12 ZINC000420302087 296171864 /nfs/dbraw/zinc/17/18/64/296171864.db2.gz LZPAKPHMULSZLA-VIQHNZTISA-N 1 3 309.498 2.519 20 0 DFADHO CCN(CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1c(C)cccc1C ZINC000420306592 296172692 /nfs/dbraw/zinc/17/26/92/296172692.db2.gz QLZJTZWHRNCJFZ-INIZCTEOSA-N 1 3 303.450 2.563 20 0 DFADHO C[C@@H]([NH3+])CN1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000420307904 296172989 /nfs/dbraw/zinc/17/29/89/296172989.db2.gz CEJRPYCOSTTXDX-CPZBXZKTSA-N 1 3 305.510 2.558 20 0 DFADHO Clc1cccc([C@H]2CNCCN2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420322563 296174812 /nfs/dbraw/zinc/17/48/12/296174812.db2.gz WSKYJUJFCADDLK-RHSMWYFYSA-N 1 3 307.869 2.676 20 0 DFADHO C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328161 296176213 /nfs/dbraw/zinc/17/62/13/296176213.db2.gz DWPFVIDOPQRVIM-MCIONIFRSA-N 1 3 321.852 2.598 20 0 DFADHO Cc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331192 296176556 /nfs/dbraw/zinc/17/65/56/296176556.db2.gz BSXLTWQZAAZNQR-YESZJQIVSA-N 1 3 315.461 2.644 20 0 DFADHO Cc1cccc(NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420347148 296178543 /nfs/dbraw/zinc/17/85/43/296178543.db2.gz XRIYZECWOTTZDF-YESZJQIVSA-N 1 3 315.461 2.562 20 0 DFADHO CC1(C)CNCC[C@H]1[NH2+]CCOc1ccc(F)cc1Cl ZINC000420355970 296179336 /nfs/dbraw/zinc/17/93/36/296179336.db2.gz FVXHFLPDOJZTQQ-CQSZACIVSA-N 1 3 300.805 2.836 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCC2 ZINC000282506279 217047877 /nfs/dbraw/zinc/04/78/77/217047877.db2.gz YNYIXVUCDRHZEI-IBGZPJMESA-N 1 3 315.505 2.988 20 0 DFADHO Cc1ccc([C@@H](NCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000420371098 296181835 /nfs/dbraw/zinc/18/18/35/296181835.db2.gz KGSGWPVVAVUVFC-FQEVSTJZSA-N 1 3 309.457 2.579 20 0 DFADHO [NH3+]C[C@H](NCCOCCOc1ccccc1)C1CCCCC1 ZINC000420373438 296182494 /nfs/dbraw/zinc/18/24/94/296182494.db2.gz RAUAQIZSQBQXTQ-SFHVURJKSA-N 1 3 306.450 2.579 20 0 DFADHO Cn1c2ccccc2nc1CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420378070 296183019 /nfs/dbraw/zinc/18/30/19/296183019.db2.gz BBWLAKZYJNYAMB-WBVHZDCISA-N 1 3 312.461 2.580 20 0 DFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOC2CCCCCC2)CC1 ZINC000420384008 296184148 /nfs/dbraw/zinc/18/41/48/296184148.db2.gz RBUOVWXFIQFHOB-RBUKOAKNSA-N 1 3 324.509 2.944 20 0 DFADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1F ZINC000420387759 296184379 /nfs/dbraw/zinc/18/43/79/296184379.db2.gz GNMYUXHSWXWYEV-RHSMWYFYSA-N 1 3 319.424 2.618 20 0 DFADHO COc1cccc([C@H](C)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420385726 296184527 /nfs/dbraw/zinc/18/45/27/296184527.db2.gz HWPBFAIMNZYPHK-YJLNNSPDSA-N 1 3 318.461 2.975 20 0 DFADHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCC1CCCCC1 ZINC000420395051 296185765 /nfs/dbraw/zinc/18/57/65/296185765.db2.gz KQGOFKQUOAHLOW-MSOLQXFVSA-N 1 3 321.509 2.537 20 0 DFADHO c1ccc(OCCOCCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420401706 296186573 /nfs/dbraw/zinc/18/65/73/296186573.db2.gz PRNVKJINXSQVRW-PKOBYXMFSA-N 1 3 318.461 2.546 20 0 DFADHO CN(C)Cc1ccccc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000486985365 299435954 /nfs/dbraw/zinc/43/59/54/299435954.db2.gz IPUMMQZQODRCPI-UHFFFAOYSA-N 1 3 317.477 2.598 20 0 DFADHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N(CC)CC ZINC000618661078 399200161 /nfs/dbraw/zinc/20/01/61/399200161.db2.gz NQHDJLGIFSBUKK-WBVHZDCISA-N 1 3 309.498 2.630 20 0 DFADHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)N(CC)CC ZINC000618661078 399200164 /nfs/dbraw/zinc/20/01/64/399200164.db2.gz NQHDJLGIFSBUKK-WBVHZDCISA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)CCn1cccn1 ZINC000081013317 399202912 /nfs/dbraw/zinc/20/29/12/399202912.db2.gz YOIQEIBEUQBFBW-MJGOQNOKSA-N 1 3 312.461 2.726 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)CCn1cccn1 ZINC000081013317 399202914 /nfs/dbraw/zinc/20/29/14/399202914.db2.gz YOIQEIBEUQBFBW-MJGOQNOKSA-N 1 3 312.461 2.726 20 0 DFADHO CC[C@H]1CN(C)CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000614331282 399209850 /nfs/dbraw/zinc/20/98/50/399209850.db2.gz PJXYWLCHEVHXIG-SJORKVTESA-N 1 3 321.509 2.584 20 0 DFADHO CC[C@H]1CN(C)CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000614331282 399209853 /nfs/dbraw/zinc/20/98/53/399209853.db2.gz PJXYWLCHEVHXIG-SJORKVTESA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)N1CCN(CCC[NH2+]C2(c3ccccc3)CC2)CC1 ZINC000283429902 217608685 /nfs/dbraw/zinc/60/86/85/217608685.db2.gz WVVVICVLSBSOHY-UHFFFAOYSA-N 1 3 301.478 2.681 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NCC2([NH3+])CCCCC2)c1 ZINC000623053511 399320205 /nfs/dbraw/zinc/32/02/05/399320205.db2.gz IANGVBOVMFLREQ-UHFFFAOYSA-N 1 3 304.438 2.531 20 0 DFADHO CN(C)CCN(C)CCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000623088450 399324738 /nfs/dbraw/zinc/32/47/38/399324738.db2.gz MQWNXAGSVMLNAQ-UHFFFAOYSA-N 1 3 317.399 2.679 20 0 DFADHO CN(C)CCN(C)CCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000623088049 399324788 /nfs/dbraw/zinc/32/47/88/399324788.db2.gz UEJPFFNVYZPJGG-HKUYNNGSSA-N 1 3 318.509 2.581 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2sccc2C1 ZINC000623347622 399368585 /nfs/dbraw/zinc/36/85/85/399368585.db2.gz GEAZEJPFWRCMEX-GDBMZVCRSA-N 1 3 321.534 2.957 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2sccc2C1 ZINC000623347622 399368588 /nfs/dbraw/zinc/36/85/88/399368588.db2.gz GEAZEJPFWRCMEX-GDBMZVCRSA-N 1 3 321.534 2.957 20 0 DFADHO C[N@@H+]1CC[C@@H](NCc2ccccc2Cn2ccnc2)CC1(C)C ZINC000623351623 399369793 /nfs/dbraw/zinc/36/97/93/399369793.db2.gz YGCSGDGJWIVXIR-GOSISDBHSA-N 1 3 312.461 2.894 20 0 DFADHO C[N@H+]1CC[C@@H](NCc2ccccc2Cn2ccnc2)CC1(C)C ZINC000623351623 399369795 /nfs/dbraw/zinc/36/97/95/399369795.db2.gz YGCSGDGJWIVXIR-GOSISDBHSA-N 1 3 312.461 2.894 20 0 DFADHO CN1CC[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC1(C)C ZINC000623351623 399369797 /nfs/dbraw/zinc/36/97/97/399369797.db2.gz YGCSGDGJWIVXIR-GOSISDBHSA-N 1 3 312.461 2.894 20 0 DFADHO COc1ccc(OC)c(CCN[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623379567 399376456 /nfs/dbraw/zinc/37/64/56/399376456.db2.gz YGPALQSYVQBJFK-OAHLLOKOSA-N 1 3 306.450 2.709 20 0 DFADHO COc1ccc(OC)c(CCN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623379567 399376459 /nfs/dbraw/zinc/37/64/59/399376459.db2.gz YGPALQSYVQBJFK-OAHLLOKOSA-N 1 3 306.450 2.709 20 0 DFADHO C[C@@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413425 399383435 /nfs/dbraw/zinc/38/34/35/399383435.db2.gz VKAGJFVRKYBMON-FUHWJXTLSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413425 399383440 /nfs/dbraw/zinc/38/34/40/399383440.db2.gz VKAGJFVRKYBMON-FUHWJXTLSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413425 399383443 /nfs/dbraw/zinc/38/34/43/399383443.db2.gz VKAGJFVRKYBMON-FUHWJXTLSA-N 1 3 303.494 2.969 20 0 DFADHO COc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623418504 399385290 /nfs/dbraw/zinc/38/52/90/399385290.db2.gz SOJFYDMTJDFQHW-UKRRQHHQSA-N 1 3 304.434 2.981 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc3n[nH]cc32)C[C@@H](C)O1 ZINC000623425314 399386674 /nfs/dbraw/zinc/38/66/74/399386674.db2.gz XWIIMHAJRQTTEE-HUUCEWRRSA-N 1 3 316.449 2.542 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000623445945 399391771 /nfs/dbraw/zinc/39/17/71/399391771.db2.gz LADOBIVKJOTLOG-UONOGXRCSA-N 1 3 322.884 2.776 20 0 DFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000623445945 399391775 /nfs/dbraw/zinc/39/17/75/399391775.db2.gz LADOBIVKJOTLOG-UONOGXRCSA-N 1 3 322.884 2.776 20 0 DFADHO c1csc(CCNC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000268834608 207001516 /nfs/dbraw/zinc/00/15/16/207001516.db2.gz UBIKQNWIOXWHFX-UHFFFAOYSA-N 1 3 315.486 2.982 20 0 DFADHO CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)c2ccccc21 ZINC000623474925 399397560 /nfs/dbraw/zinc/39/75/60/399397560.db2.gz VNXKPGXFQYQQBG-RDJZCZTQSA-N 1 3 315.461 2.947 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)[C@H]1CCOC1 ZINC000268862326 207030671 /nfs/dbraw/zinc/03/06/71/207030671.db2.gz FLFUZMHOKSKVDT-UXLLHSPISA-N 1 3 306.450 2.703 20 0 DFADHO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000268889780 207059695 /nfs/dbraw/zinc/05/96/95/207059695.db2.gz ZXYGDIOEWUMPQL-DOTOQJQBSA-N 1 3 306.450 2.581 20 0 DFADHO CC[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@@H]1CCCCN1 ZINC000422687311 296317994 /nfs/dbraw/zinc/31/79/94/296317994.db2.gz BLSUVIORONYOGH-OALUTQOASA-N 1 3 316.493 2.556 20 0 DFADHO CC[C@H](NC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422687311 296317995 /nfs/dbraw/zinc/31/79/95/296317995.db2.gz BLSUVIORONYOGH-OALUTQOASA-N 1 3 316.493 2.556 20 0 DFADHO C[C@H](NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000422699051 296318279 /nfs/dbraw/zinc/31/82/79/296318279.db2.gz CHOCCBAGXKSAIT-MAUKXSAKSA-N 1 3 301.478 2.553 20 0 DFADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1CN)N1CCc2ccccc2C1 ZINC000422703483 296318376 /nfs/dbraw/zinc/31/83/76/296318376.db2.gz NFDTVEJNPYFVRN-IEBWSBKVSA-N 1 3 315.505 2.930 20 0 DFADHO Cc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422706197 296318821 /nfs/dbraw/zinc/31/88/21/296318821.db2.gz SZNVNNYSVIZGMT-GUDVDZBRSA-N 1 3 302.462 2.593 20 0 DFADHO CC(C)N(C(=O)[C@H](C)N1CCC(CC[NH+](C)C)CC1)C(C)C ZINC000056524054 184015104 /nfs/dbraw/zinc/01/51/04/184015104.db2.gz HAZWHNRYFADUBC-INIZCTEOSA-N 1 3 311.514 2.684 20 0 DFADHO COc1ccccc1[C@H](CN[C@H](C)C[C@H](C)[NH3+])N1CCCCC1 ZINC000422709300 296319864 /nfs/dbraw/zinc/31/98/64/296319864.db2.gz KIBXIXCPUVAJQN-JZXOWHBKSA-N 1 3 319.493 2.938 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](C)N1CCc2ccccc21 ZINC000422709728 296319912 /nfs/dbraw/zinc/31/99/12/296319912.db2.gz DVHOPVQZCUIBLY-ABSDTBQOSA-N 1 3 323.484 2.986 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)N1CCc2sccc2C1 ZINC000422709118 296319947 /nfs/dbraw/zinc/31/99/47/296319947.db2.gz CUGLOVJQAQAQHI-FMKPAKJESA-N 1 3 307.507 2.602 20 0 DFADHO C[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])N1CCc2sccc2C1 ZINC000422709118 296319949 /nfs/dbraw/zinc/31/99/49/296319949.db2.gz CUGLOVJQAQAQHI-FMKPAKJESA-N 1 3 307.507 2.602 20 0 DFADHO CCC(CC)[C@H](O)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422718882 296321027 /nfs/dbraw/zinc/32/10/27/296321027.db2.gz XXYMUPYPIALSBP-ZHALLVOQSA-N 1 3 318.461 2.629 20 0 DFADHO Fc1ccc(CN2CCC([NH2+][C@@H]3CCCNCC3)CC2)cc1 ZINC000422724192 296321858 /nfs/dbraw/zinc/32/18/58/296321858.db2.gz UVICAYGFLJDOJQ-QGZVFWFLSA-N 1 3 305.441 2.522 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000623545046 399413040 /nfs/dbraw/zinc/41/30/40/399413040.db2.gz YMHCTCPEYZTJDK-ZWKOTPCHSA-N 1 3 304.478 2.669 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000623545046 399413042 /nfs/dbraw/zinc/41/30/42/399413042.db2.gz YMHCTCPEYZTJDK-ZWKOTPCHSA-N 1 3 304.478 2.669 20 0 DFADHO C[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC000422720765 296321284 /nfs/dbraw/zinc/32/12/84/296321284.db2.gz TWCKNILJWJPIRK-MNEFBYGVSA-N 1 3 301.478 2.683 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422721054 296321308 /nfs/dbraw/zinc/32/13/08/296321308.db2.gz NHQUZFJFZSQZDH-RDTXWAMCSA-N 1 3 323.431 2.646 20 0 DFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000602278717 399417882 /nfs/dbraw/zinc/41/78/82/399417882.db2.gz YUPYYQXJYIVPKF-LJQANCHMSA-N 1 3 315.505 2.897 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422725448 296322155 /nfs/dbraw/zinc/32/21/55/296322155.db2.gz YAQJEVBSMVYGNP-MAUKXSAKSA-N 1 3 305.441 2.507 20 0 DFADHO CCc1ccc([C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000422729471 296322715 /nfs/dbraw/zinc/32/27/15/296322715.db2.gz IDWGLGIKUQBFEL-OTWHNJEPSA-N 1 3 303.494 2.959 20 0 DFADHO CN1CCCC[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000623656494 399436579 /nfs/dbraw/zinc/43/65/79/399436579.db2.gz VJKLZAZKHDHVJD-LJQANCHMSA-N 1 3 315.505 2.973 20 0 DFADHO CC(C)(O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000269064914 207213557 /nfs/dbraw/zinc/21/35/57/207213557.db2.gz VJQWMRNORSHEAO-ROUUACIJSA-N 1 3 302.462 2.744 20 0 DFADHO CC(C)(O)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000269064914 207213561 /nfs/dbraw/zinc/21/35/61/207213561.db2.gz VJQWMRNORSHEAO-ROUUACIJSA-N 1 3 302.462 2.744 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000269073039 207221164 /nfs/dbraw/zinc/22/11/64/207221164.db2.gz NDBCLUADJPFNPN-HOCLYGCPSA-N 1 3 324.465 2.711 20 0 DFADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000623723959 399451568 /nfs/dbraw/zinc/45/15/68/399451568.db2.gz LYFYZMDXCQCZEA-BASYENTBSA-N 1 3 306.450 2.529 20 0 DFADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000063195093 184277737 /nfs/dbraw/zinc/27/77/37/184277737.db2.gz DAQLWBOAZSDVJU-SWLSCSKDSA-N 1 3 309.841 2.870 20 0 DFADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000063195093 184277738 /nfs/dbraw/zinc/27/77/38/184277738.db2.gz DAQLWBOAZSDVJU-SWLSCSKDSA-N 1 3 309.841 2.870 20 0 DFADHO COC(=O)c1[nH]c(CNCCCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000602513760 399465472 /nfs/dbraw/zinc/46/54/72/399465472.db2.gz CPLLFUAPDISHEQ-HNNXBMFYSA-N 1 3 321.465 2.854 20 0 DFADHO COC(=O)c1[nH]c(CNCCCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC000602513760 399465476 /nfs/dbraw/zinc/46/54/76/399465476.db2.gz CPLLFUAPDISHEQ-HNNXBMFYSA-N 1 3 321.465 2.854 20 0 DFADHO COc1ccccc1/C=C\CN1CCC(OCCC[NH3+])CC1 ZINC000346677682 284922123 /nfs/dbraw/zinc/92/21/23/284922123.db2.gz KXHDKKMNOHUGIG-DAXSKMNVSA-N 1 3 304.434 2.538 20 0 DFADHO CCOC(=O)c1ccc(CNCCCC[N@@H+]2CCCC[C@H]2C)[nH]1 ZINC000602515843 399465919 /nfs/dbraw/zinc/46/59/19/399465919.db2.gz ZRXGFWRXHVVFOD-OAHLLOKOSA-N 1 3 321.465 2.936 20 0 DFADHO CCOC(=O)c1ccc(CNCCCC[N@H+]2CCCC[C@H]2C)[nH]1 ZINC000602515843 399465921 /nfs/dbraw/zinc/46/59/21/399465921.db2.gz ZRXGFWRXHVVFOD-OAHLLOKOSA-N 1 3 321.465 2.936 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C)c2cnccc2N)C1 ZINC000422741141 296324460 /nfs/dbraw/zinc/32/44/60/296324460.db2.gz OFTQZHCPXNWHIN-UXLLHSPISA-N 1 3 310.445 2.980 20 0 DFADHO CC[C@@H](NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422735798 296323699 /nfs/dbraw/zinc/32/36/99/296323699.db2.gz WRXKMUUJWYAJBE-CEXWTWQISA-N 1 3 301.478 2.944 20 0 DFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422735511 296323865 /nfs/dbraw/zinc/32/38/65/296323865.db2.gz DZZJAKFGCCPALP-NKGKWGDASA-N 1 3 306.425 2.676 20 0 DFADHO CCN1CCC[C@H](N[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000422738521 296323998 /nfs/dbraw/zinc/32/39/98/296323998.db2.gz JOBAXRSLEQYDAQ-QXAKKESOSA-N 1 3 317.477 2.562 20 0 DFADHO CC1CCN([C@H](CN[C@@H]2CCC[C@H]2[NH3+])c2ccccc2)CC1 ZINC000422745459 296325233 /nfs/dbraw/zinc/32/52/33/296325233.db2.gz XTORXNAOPKOAJT-GUDVDZBRSA-N 1 3 301.478 2.929 20 0 DFADHO C[C@H](N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422740773 296324511 /nfs/dbraw/zinc/32/45/11/296324511.db2.gz NEAVPSSHOBPAGI-RNIPGJKVSA-N 1 3 301.478 2.942 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1cnccc1N ZINC000422741142 296324578 /nfs/dbraw/zinc/32/45/78/296324578.db2.gz OFTQZHCPXNWHIN-YQQAZPJKSA-N 1 3 310.445 2.980 20 0 DFADHO CC[C@H](N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422745660 296325395 /nfs/dbraw/zinc/32/53/95/296325395.db2.gz VKMFMCAWJTWHQW-NQYYFHDYSA-N 1 3 301.478 2.942 20 0 DFADHO COc1ccccc1[C@H](CN[C@H](C)C[C@H](C)[NH3+])N1CCCC1 ZINC000422749005 296326300 /nfs/dbraw/zinc/32/63/00/296326300.db2.gz WZUOCZKPQBWKPK-UXLLHSPISA-N 1 3 305.466 2.548 20 0 DFADHO Clc1cccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422763299 296328711 /nfs/dbraw/zinc/32/87/11/296328711.db2.gz NDWGGLYIIGNCLX-IXDOHACOSA-N 1 3 308.853 2.629 20 0 DFADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000422762997 296328874 /nfs/dbraw/zinc/32/88/74/296328874.db2.gz OHWHDMSXRZNWAE-JKSUJKDBSA-N 1 3 308.853 2.858 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422762364 296328910 /nfs/dbraw/zinc/32/89/10/296328910.db2.gz NRBQXNSBKGLZIX-YNEHKIRRSA-N 1 3 313.392 2.582 20 0 DFADHO CC(C)(C)C[C@H](O)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422767052 296329487 /nfs/dbraw/zinc/32/94/87/296329487.db2.gz SDTWHBUCESZYIV-GMBSWORKSA-N 1 3 318.461 2.629 20 0 DFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1(N(C)C)CCCCC1 ZINC000422767152 296329561 /nfs/dbraw/zinc/32/95/61/296329561.db2.gz YERGWPKUCSBTKQ-SJLPKXTDSA-N 1 3 303.494 2.799 20 0 DFADHO C[C@@H](NCCCOc1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000422778230 296331385 /nfs/dbraw/zinc/33/13/85/296331385.db2.gz GXCKAZZZRAHYIM-SNVBAGLBSA-N 1 3 303.233 2.960 20 0 DFADHO C[C@@H]([NH2+]CCCOc1ccc(Cl)cc1Cl)C1CNC1 ZINC000422778230 296331386 /nfs/dbraw/zinc/33/13/86/296331386.db2.gz GXCKAZZZRAHYIM-SNVBAGLBSA-N 1 3 303.233 2.960 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C12CCC2 ZINC000422783253 296332445 /nfs/dbraw/zinc/33/24/45/296332445.db2.gz NXFDXNWKPJHQTK-KBRIMQKVSA-N 1 3 303.450 2.847 20 0 DFADHO CCO[C@@H]1C[C@H](N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])C12CCC2 ZINC000422787269 296332729 /nfs/dbraw/zinc/33/27/29/296332729.db2.gz UKZQGDFIXIEXPT-LEUOFYLZSA-N 1 3 302.462 2.882 20 0 DFADHO CCC[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1)N(C)C ZINC000422792310 296333653 /nfs/dbraw/zinc/33/36/53/296333653.db2.gz DIHREUNQBMQPDK-IRXDYDNUSA-N 1 3 305.466 2.656 20 0 DFADHO COc1ccc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422791509 296333829 /nfs/dbraw/zinc/33/38/29/296333829.db2.gz QGJGMLLCQZHODT-GBESFXJTSA-N 1 3 318.461 2.974 20 0 DFADHO C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2C[C@H](N)c3ccccc32)C[C@@H](C)O1 ZINC000422795888 296334320 /nfs/dbraw/zinc/33/43/20/296334320.db2.gz IGOOYQHLYXSYSG-KJWYOANISA-N 1 3 317.477 2.609 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422796934 296334768 /nfs/dbraw/zinc/33/47/68/296334768.db2.gz ZMSWPUKTKHCXAE-KDOFPFPSSA-N 1 3 316.424 2.532 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422795477 296334479 /nfs/dbraw/zinc/33/44/79/296334479.db2.gz VRDCSKMZVNRKGH-UTRMSSBJSA-N 1 3 318.461 2.973 20 0 DFADHO CCN(CC)[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000422797435 296334699 /nfs/dbraw/zinc/33/46/99/296334699.db2.gz MNDCWTLCRJXIHQ-HHXXYDBFSA-N 1 3 319.493 2.666 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC000422797545 296334724 /nfs/dbraw/zinc/33/47/24/296334724.db2.gz NFXIPUGYVCDGCA-QGZVFWFLSA-N 1 3 315.461 2.554 20 0 DFADHO CCN(CC)[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000422797436 296334793 /nfs/dbraw/zinc/33/47/93/296334793.db2.gz MNDCWTLCRJXIHQ-KVSKMBFKSA-N 1 3 319.493 2.666 20 0 DFADHO CC[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422801464 296335687 /nfs/dbraw/zinc/33/56/87/296335687.db2.gz BZKJSABIYSSHRS-ATZDWAIDSA-N 1 3 301.478 2.553 20 0 DFADHO c1cn(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000422803955 296335908 /nfs/dbraw/zinc/33/59/08/296335908.db2.gz DRMNARZRDWGDTD-HSALFYBXSA-N 1 3 324.472 2.942 20 0 DFADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cnccc1N ZINC000422810649 296337199 /nfs/dbraw/zinc/33/71/99/296337199.db2.gz SAYQVCUFYGEHPL-HNNXBMFYSA-N 1 3 310.445 2.941 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000422814512 296337902 /nfs/dbraw/zinc/33/79/02/296337902.db2.gz VFZBGHGTTVAEEM-QAETUUGQSA-N 1 3 319.493 2.511 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422814510 296337977 /nfs/dbraw/zinc/33/79/77/296337977.db2.gz VFZBGHGTTVAEEM-LUKYLMHMSA-N 1 3 319.493 2.511 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000422812082 296337566 /nfs/dbraw/zinc/33/75/66/296337566.db2.gz XEKPAFDKASUGDL-SJCJKPOMSA-N 1 3 318.490 2.864 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000422818668 296338978 /nfs/dbraw/zinc/33/89/78/296338978.db2.gz GVPIVWOXBLPBOQ-VBNZEHGJSA-N 1 3 310.869 2.960 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC(C)(C)c1cccc(Cl)c1 ZINC000422818668 296338979 /nfs/dbraw/zinc/33/89/79/296338979.db2.gz GVPIVWOXBLPBOQ-VBNZEHGJSA-N 1 3 310.869 2.960 20 0 DFADHO CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000631844721 399506476 /nfs/dbraw/zinc/50/64/76/399506476.db2.gz LRNGSDNGVNDCQL-KDOFPFPSSA-N 1 3 313.449 2.868 20 0 DFADHO CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000631844721 399506480 /nfs/dbraw/zinc/50/64/80/399506480.db2.gz LRNGSDNGVNDCQL-KDOFPFPSSA-N 1 3 313.449 2.868 20 0 DFADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422818925 296339115 /nfs/dbraw/zinc/33/91/15/296339115.db2.gz HNEVZVRHUBEQIQ-KBPBESRZSA-N 1 3 302.340 2.735 20 0 DFADHO c1c(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc2ccccn12 ZINC000422815819 296338462 /nfs/dbraw/zinc/33/84/62/296338462.db2.gz CNNWRQAYQFVDTR-OKZBNKHCSA-N 1 3 312.461 2.777 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(COCC(F)(F)F)cc1 ZINC000422826653 296339986 /nfs/dbraw/zinc/33/99/86/296339986.db2.gz RGHGLWHZVVWDTG-CABCVRRESA-N 1 3 316.367 2.983 20 0 DFADHO CCN(CC)[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422828728 296340602 /nfs/dbraw/zinc/34/06/02/296340602.db2.gz GPKJUCMUMGBEJP-QRQLOZEOSA-N 1 3 303.494 2.670 20 0 DFADHO c1csc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422839587 296342349 /nfs/dbraw/zinc/34/23/49/296342349.db2.gz QTQKGDKNZSGTHX-RHSMWYFYSA-N 1 3 315.442 2.531 20 0 DFADHO COc1ccccc1N1CCC([NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000422839650 296342398 /nfs/dbraw/zinc/34/23/98/296342398.db2.gz RCKLAPBYBLSZMC-WBVHZDCISA-N 1 3 317.477 2.642 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)Cc1ccccc1 ZINC000422832872 296341542 /nfs/dbraw/zinc/34/15/42/296341542.db2.gz LMEBSIPEUGATHE-YSIASYRMSA-N 1 3 317.521 2.917 20 0 DFADHO C[C@@H](NC[C@H]1CCCN(Cc2cccs2)C1)[C@H]1CCC[NH2+]1 ZINC000422834944 296341734 /nfs/dbraw/zinc/34/17/34/296341734.db2.gz HZWQVDBPUJQBGD-BFYDXBDKSA-N 1 3 307.507 2.690 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422841416 296342605 /nfs/dbraw/zinc/34/26/05/296342605.db2.gz CYNDZILFAMIEIM-IAOVAPTHSA-N 1 3 306.425 2.589 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2ccc(F)cc2)CCC1 ZINC000422841416 296342607 /nfs/dbraw/zinc/34/26/07/296342607.db2.gz CYNDZILFAMIEIM-IAOVAPTHSA-N 1 3 306.425 2.589 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1ccc(Oc2ccccc2)nc1 ZINC000422850496 296344558 /nfs/dbraw/zinc/34/45/58/296344558.db2.gz VXAQDDRWYNLCAL-INIZCTEOSA-N 1 3 315.417 2.717 20 0 DFADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000422845260 296343738 /nfs/dbraw/zinc/34/37/38/296343738.db2.gz BINCSMNCIKANCY-BRWVUGGUSA-N 1 3 317.477 2.629 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccnc(OCC(F)(F)F)c1 ZINC000422854023 296345310 /nfs/dbraw/zinc/34/53/10/296345310.db2.gz CITRNHJRNBHXJV-STQMWFEESA-N 1 3 317.355 2.630 20 0 DFADHO CCOCCOCc1cccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422858530 296345925 /nfs/dbraw/zinc/34/59/25/296345925.db2.gz IWUCVOGPFMXSJA-QFBILLFUSA-N 1 3 320.477 2.717 20 0 DFADHO C[C@@H]1CCCN(CC[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000422860045 296346043 /nfs/dbraw/zinc/34/60/43/296346043.db2.gz KYPYJLGANPPQPC-QRQLOZEOSA-N 1 3 301.478 2.801 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000422859639 296346234 /nfs/dbraw/zinc/34/62/34/296346234.db2.gz KOCYLIPBYKPGCT-OLZOCXBDSA-N 1 3 309.841 2.565 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1ccc(F)cc1CSC ZINC000422860068 296346239 /nfs/dbraw/zinc/34/62/39/296346239.db2.gz HWAOVWVVEQGNBH-HNNXBMFYSA-N 1 3 300.443 2.532 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422871237 296347942 /nfs/dbraw/zinc/34/79/42/296347942.db2.gz YLQLBTPOQZUZPL-WWGRRREGSA-N 1 3 309.404 2.521 20 0 DFADHO Cc1ccccc1C1(CN[C@@H](C)[C@@H]2CC[NH2+]C2)CCOCC1 ZINC000422883341 296350274 /nfs/dbraw/zinc/35/02/74/296350274.db2.gz UULKZCDPWLLFGP-DLBZAZTESA-N 1 3 302.462 2.631 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422880394 296349435 /nfs/dbraw/zinc/34/94/35/296349435.db2.gz OAHAKSDVKYKBOX-QGTPRVQTSA-N 1 3 320.452 2.979 20 0 DFADHO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1cnccc1N ZINC000422882330 296349779 /nfs/dbraw/zinc/34/97/79/296349779.db2.gz ZYEYLDOBORHEFY-HLLBOEOZSA-N 1 3 310.445 2.808 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])N2CCCC2)o1 ZINC000422885393 296350646 /nfs/dbraw/zinc/35/06/46/296350646.db2.gz YLRDWUNRFZGZJB-ZACQAIPSSA-N 1 3 305.466 2.975 20 0 DFADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCCCC[C@H]2N)N2CCCC2)o1 ZINC000422885393 296350647 /nfs/dbraw/zinc/35/06/47/296350647.db2.gz YLRDWUNRFZGZJB-ZACQAIPSSA-N 1 3 305.466 2.975 20 0 DFADHO COc1cccc(N2CC[C@H](CN[C@H](C)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422899833 296352825 /nfs/dbraw/zinc/35/28/25/296352825.db2.gz IGZQBYHTSXWDIU-MDZRGWNJSA-N 1 3 317.477 2.642 20 0 DFADHO COc1ccc(C)cc1C1(CN[C@@H](C)C[C@@H](C)[NH3+])CCOCC1 ZINC000422901881 296353079 /nfs/dbraw/zinc/35/30/79/296353079.db2.gz SQYJXTVOPKCNEP-CVEARBPZSA-N 1 3 320.477 2.767 20 0 DFADHO COc1ccc(C)cc1C1(C[NH2+][C@@H](C)C[C@@H](C)N)CCOCC1 ZINC000422901881 296353080 /nfs/dbraw/zinc/35/30/80/296353080.db2.gz SQYJXTVOPKCNEP-CVEARBPZSA-N 1 3 320.477 2.767 20 0 DFADHO CCc1nc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)cs1 ZINC000422901448 296353108 /nfs/dbraw/zinc/35/31/08/296353108.db2.gz KVHHWSHFDLTMAB-NSHDSACASA-N 1 3 304.463 2.761 20 0 DFADHO COc1ccc(C)cc1C1(CN[C@H]2CCC[C@@H]2[NH3+])CCOCC1 ZINC000422902151 296353290 /nfs/dbraw/zinc/35/32/90/296353290.db2.gz TVBWSHZWDXKGNA-IRXDYDNUSA-N 1 3 318.461 2.521 20 0 DFADHO Fc1ccc(N2CC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422905476 296354201 /nfs/dbraw/zinc/35/42/01/296354201.db2.gz ZDSDOMYAZJZKOP-JTUUTPGSSA-N 1 3 303.425 2.525 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000422908677 296354751 /nfs/dbraw/zinc/35/47/51/296354751.db2.gz YYRKLDDVOSZGOQ-HZPDHXFCSA-N 1 3 302.397 2.761 20 0 DFADHO FC(F)n1c(CCN[C@@H]2CCC[NH2+]CC2)nc2ccccc21 ZINC000422906730 296354450 /nfs/dbraw/zinc/35/44/50/296354450.db2.gz AJYHKCMLKRMGPS-GFCCVEGCSA-N 1 3 308.376 2.706 20 0 DFADHO C[C@H](O)CC(C)(C)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422919436 296355856 /nfs/dbraw/zinc/35/58/56/296355856.db2.gz JYINRFWRXWIXHN-GMBSWORKSA-N 1 3 318.461 2.629 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1nc2ccccc2n1C(F)F ZINC000422911203 296355023 /nfs/dbraw/zinc/35/50/23/296355023.db2.gz KHEVIUUXWWSHOP-NEPJUHHUSA-N 1 3 308.376 2.691 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422911203 296355024 /nfs/dbraw/zinc/35/50/24/296355024.db2.gz KHEVIUUXWWSHOP-NEPJUHHUSA-N 1 3 308.376 2.691 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422928056 296356518 /nfs/dbraw/zinc/35/65/18/296356518.db2.gz IQOYTTXPIIPGKU-QZTJIDSGSA-N 1 3 315.461 2.530 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422930608 296356851 /nfs/dbraw/zinc/35/68/51/296356851.db2.gz VFYUKLUQBMFNKE-AAEUAGOBSA-N 1 3 320.355 2.990 20 0 DFADHO C[C@@H](CCCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000422927434 296356319 /nfs/dbraw/zinc/35/63/19/296356319.db2.gz YUPUXVWKTTUXNU-SWLSCSKDSA-N 1 3 309.841 2.552 20 0 DFADHO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1N)N1CCc2ccccc2C1 ZINC000422937661 296358010 /nfs/dbraw/zinc/35/80/10/296358010.db2.gz JQDSGKOALUKEBI-QRVBRYPASA-N 1 3 301.478 2.539 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])N1CCc2ccccc2C1 ZINC000422937661 296358014 /nfs/dbraw/zinc/35/80/14/296358014.db2.gz JQDSGKOALUKEBI-QRVBRYPASA-N 1 3 301.478 2.539 20 0 DFADHO c1cc2c(cc1[C@H](N[C@H]1CCC[NH2+]CC1)C1CC1)OCCO2 ZINC000422938571 296358376 /nfs/dbraw/zinc/35/83/76/296358376.db2.gz HEZRGCYVTDVYFR-MAUKXSAKSA-N 1 3 302.418 2.641 20 0 DFADHO Fc1ccc(CCN[C@@H]2CCC[NH2+]CC2)cc1Br ZINC000422943266 296358643 /nfs/dbraw/zinc/35/86/43/296358643.db2.gz XUJOYLJJQXTSDH-GFCCVEGCSA-N 1 3 315.230 2.862 20 0 DFADHO Fc1ccc(CC[NH2+][C@@H]2CCCNCC2)cc1Br ZINC000422943266 296358644 /nfs/dbraw/zinc/35/86/44/296358644.db2.gz XUJOYLJJQXTSDH-GFCCVEGCSA-N 1 3 315.230 2.862 20 0 DFADHO C[C@@H](NCC1(c2ccc(Cl)cc2)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000422935801 296357462 /nfs/dbraw/zinc/35/74/62/296357462.db2.gz DTCODCCBVJOUDT-HUUCEWRRSA-N 1 3 322.880 2.976 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCCOc1cccc(Br)c1 ZINC000422949353 296359602 /nfs/dbraw/zinc/35/96/02/296359602.db2.gz TUCVISYVZTZCBE-WDEREUQCSA-N 1 3 301.228 2.543 20 0 DFADHO c1cc(CN2CCSCC2)cc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422955029 296360727 /nfs/dbraw/zinc/36/07/27/296360727.db2.gz KLVWMNVVYVFTMV-JWTNVVGKSA-N 1 3 317.502 2.930 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000422956238 296360755 /nfs/dbraw/zinc/36/07/55/296360755.db2.gz OVHVXRLDYBLMSP-DOTOQJQBSA-N 1 3 313.445 2.981 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCCOc1cccc2cccnc21 ZINC000422956238 296360756 /nfs/dbraw/zinc/36/07/56/296360756.db2.gz OVHVXRLDYBLMSP-DOTOQJQBSA-N 1 3 313.445 2.981 20 0 DFADHO CC[C@](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000602695862 399524363 /nfs/dbraw/zinc/52/43/63/399524363.db2.gz PSJDZTZAPDRRLQ-SZVBFZGTSA-N 1 3 318.461 2.580 20 0 DFADHO CC[C@](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000602695862 399524368 /nfs/dbraw/zinc/52/43/68/399524368.db2.gz PSJDZTZAPDRRLQ-SZVBFZGTSA-N 1 3 318.461 2.580 20 0 DFADHO C[C@H](Nc1cccc(CN2CCSCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000422957653 296361058 /nfs/dbraw/zinc/36/10/58/296361058.db2.gz USUJLBKAXLEJLN-GOEBONIOSA-N 1 3 305.491 2.645 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]1NCCCc1nc(-c2ccncc2)cs1 ZINC000422958221 296361110 /nfs/dbraw/zinc/36/11/10/296361110.db2.gz XCXXCTOGWWUGHT-KGLIPLIRSA-N 1 3 302.447 2.607 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCNC(=O)c1cccs1 ZINC000422954321 296360206 /nfs/dbraw/zinc/36/02/06/296360206.db2.gz IBSLRQXWGPSEPE-GJZGRUSLSA-N 1 3 323.506 2.768 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000422953708 296360382 /nfs/dbraw/zinc/36/03/82/296360382.db2.gz GGMPMNSOEJDEPC-QZTJIDSGSA-N 1 3 315.461 2.559 20 0 DFADHO CC[C@H](C[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1)N1CCCC1 ZINC000422961371 296361407 /nfs/dbraw/zinc/36/14/07/296361407.db2.gz BLUNGACYFYDSOG-QRVBRYPASA-N 1 3 301.478 2.944 20 0 DFADHO c1ccc(C2CC(N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422963000 296361572 /nfs/dbraw/zinc/36/15/72/296361572.db2.gz DYMZFOOMRASONM-KFPRQRBHSA-N 1 3 300.446 2.679 20 0 DFADHO C[C@@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000422963043 296361749 /nfs/dbraw/zinc/36/17/49/296361749.db2.gz FFEBTZQNTNCDPR-JTDSTZFVSA-N 1 3 316.493 2.585 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000422965509 296362261 /nfs/dbraw/zinc/36/22/61/296362261.db2.gz LERQNYDTHFPAFJ-MJGOQNOKSA-N 1 3 318.461 2.599 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)C[C@H](C)N ZINC000422968080 296362430 /nfs/dbraw/zinc/36/24/30/296362430.db2.gz VLZRIXHXKRKNOM-GJZGRUSLSA-N 1 3 300.450 2.829 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422968080 296362431 /nfs/dbraw/zinc/36/24/31/296362431.db2.gz VLZRIXHXKRKNOM-GJZGRUSLSA-N 1 3 300.450 2.829 20 0 DFADHO c1ccc(CO[C@@H]2CCC[C@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422987353 296364319 /nfs/dbraw/zinc/36/43/19/296364319.db2.gz GAMMUHHDMSIUKR-YZYRWKSTSA-N 1 3 300.446 2.997 20 0 DFADHO Oc1ccccc1CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422975736 296363313 /nfs/dbraw/zinc/36/33/13/296363313.db2.gz UAOMGIKCRWGBME-XLIONFOSSA-N 1 3 324.424 2.780 20 0 DFADHO CC(C)(C)C[C@H](CO)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422997384 296365283 /nfs/dbraw/zinc/36/52/83/296365283.db2.gz OAHBSATXWPLFHF-IDHHARJASA-N 1 3 318.461 2.629 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422991305 296364534 /nfs/dbraw/zinc/36/45/34/296364534.db2.gz AVLLKGBUYTUFIE-CHWSQXEVSA-N 1 3 317.355 2.729 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000422991258 296364684 /nfs/dbraw/zinc/36/46/84/296364684.db2.gz AQYDNPMOQWSQNV-NVXWUHKLSA-N 1 3 318.509 2.867 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000422991258 296364685 /nfs/dbraw/zinc/36/46/85/296364685.db2.gz AQYDNPMOQWSQNV-NVXWUHKLSA-N 1 3 318.509 2.867 20 0 DFADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005117 296366266 /nfs/dbraw/zinc/36/62/66/296366266.db2.gz QTUDHVUEWWFZDY-ZIAGYGMSSA-N 1 3 302.340 2.735 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C)[C@H](O)Cc1ccccc1 ZINC000422996702 296365305 /nfs/dbraw/zinc/36/53/05/296365305.db2.gz MVTAKJORLJHNPC-ZAWLATJESA-N 1 3 304.478 2.879 20 0 DFADHO Cc1cc(C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)n(-c2ccccc2)n1 ZINC000422999555 296365598 /nfs/dbraw/zinc/36/55/98/296365598.db2.gz SQSOTOLMGDPGSH-QTXGHNMQSA-N 1 3 324.472 2.984 20 0 DFADHO COc1cccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423009631 296367143 /nfs/dbraw/zinc/36/71/43/296367143.db2.gz WBDNGVMRJNAWQS-YESZJQIVSA-N 1 3 303.450 2.533 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(CCO)CCCCC1 ZINC000423006350 296366641 /nfs/dbraw/zinc/36/66/41/296366641.db2.gz OHXRWSYTHBHSAU-AWEZNQCLSA-N 1 3 305.466 2.832 20 0 DFADHO CC(C)C[C@@H](N[C@H](C)CCCC[NH3+])C(=O)Nc1nccs1 ZINC000423014134 296367765 /nfs/dbraw/zinc/36/77/65/296367765.db2.gz HJTXGXXVPBIEQO-CHWSQXEVSA-N 1 3 312.483 2.603 20 0 DFADHO c1ccc2c(c1)CC(CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423013846 296367871 /nfs/dbraw/zinc/36/78/71/296367871.db2.gz NMQXUMXNVUPLMZ-SLFFLAALSA-N 1 3 314.473 2.538 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000423012820 296367413 /nfs/dbraw/zinc/36/74/13/296367413.db2.gz LNWHJWRAQAXNCZ-RYGJVYDSSA-N 1 3 324.472 2.945 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2CN)cc1OC ZINC000423025857 296369208 /nfs/dbraw/zinc/36/92/08/296369208.db2.gz PGQADBQAQZYKMU-USXIJHARSA-N 1 3 320.477 2.990 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H]3CCC[C@H]3[NH3+])c2)CC1 ZINC000423021540 296368717 /nfs/dbraw/zinc/36/87/17/296368717.db2.gz CDKDULSUVOEEKG-MSOLQXFVSA-N 1 3 302.466 2.509 20 0 DFADHO CC(C)N1CCN(c2cccc(NC3CCC([NH3+])CC3)c2)CC1 ZINC000423034086 296370139 /nfs/dbraw/zinc/37/01/39/296370139.db2.gz XFSYXGDHSGOPDZ-UHFFFAOYSA-N 1 3 316.493 2.899 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H](C)C[C@@H](C)[NH3+])c2)CC1 ZINC000423028840 296369678 /nfs/dbraw/zinc/36/96/78/296369678.db2.gz RKRMVJKUTRMSSZ-HZPDHXFCSA-N 1 3 304.482 2.755 20 0 DFADHO COc1ccc(C[C@H](C)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000423028994 296369680 /nfs/dbraw/zinc/36/96/80/296369680.db2.gz ULVRKVUIGMVUQY-JTUUTPGSSA-N 1 3 318.461 2.755 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC000423030874 296369929 /nfs/dbraw/zinc/36/99/29/296369929.db2.gz KBDRUYCQQUKJHD-LSDHHAIUSA-N 1 3 304.482 2.764 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000423030871 296369956 /nfs/dbraw/zinc/36/99/56/296369956.db2.gz KBDRUYCQQUKJHD-CABCVRRESA-N 1 3 304.482 2.764 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423030941 296370021 /nfs/dbraw/zinc/37/00/21/296370021.db2.gz KJHQFBPSQSGLTL-RYUDHWBXSA-N 1 3 306.385 2.524 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423030941 296370022 /nfs/dbraw/zinc/37/00/22/296370022.db2.gz KJHQFBPSQSGLTL-RYUDHWBXSA-N 1 3 306.385 2.524 20 0 DFADHO C[C@@H](CCC[NH3+])N[C@@H](CCO)c1ccccc1Br ZINC000423033540 296370081 /nfs/dbraw/zinc/37/00/81/296370081.db2.gz OPEDPSRIDNLFSE-FZMZJTMJSA-N 1 3 315.255 2.590 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000423043968 296371268 /nfs/dbraw/zinc/37/12/68/296371268.db2.gz QGLYXVAQBJTVLV-MJGOQNOKSA-N 1 3 320.477 2.588 20 0 DFADHO Cn1nc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423050623 296372217 /nfs/dbraw/zinc/37/22/17/296372217.db2.gz LORDGWZJBWWEAD-OIISXLGYSA-N 1 3 312.461 2.626 20 0 DFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423053073 296372302 /nfs/dbraw/zinc/37/23/02/296372302.db2.gz RZRALHZIDPUAQX-NZSAHSFTSA-N 1 3 303.494 2.873 20 0 DFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423053072 296372331 /nfs/dbraw/zinc/37/23/31/296372331.db2.gz RZRALHZIDPUAQX-BHIYHBOVSA-N 1 3 303.494 2.873 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423058918 296373252 /nfs/dbraw/zinc/37/32/52/296373252.db2.gz KSDJEXGKJNLULO-YSTOQKLRSA-N 1 3 316.489 2.799 20 0 DFADHO COC[C@H](CCC[NH3+])NC[C@H](c1ccccc1)C(F)(F)F ZINC000423059552 296373605 /nfs/dbraw/zinc/37/36/05/296373605.db2.gz FTZKZIGWRVYYTA-UONOGXRCSA-N 1 3 304.356 2.676 20 0 DFADHO C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)CNC2)C1CCCCC1 ZINC000347643663 285110768 /nfs/dbraw/zinc/11/07/68/285110768.db2.gz BESHMTCFEBCCFI-SFHVURJKSA-N 1 3 315.461 2.530 20 0 DFADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000159281603 197341950 /nfs/dbraw/zinc/34/19/50/197341950.db2.gz JXNCKPMTKWYFJK-HNNXBMFYSA-N 1 3 306.450 2.847 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423068848 296374523 /nfs/dbraw/zinc/37/45/23/296374523.db2.gz CXMQDGXRVNZOHJ-WCQYABFASA-N 1 3 317.355 2.586 20 0 DFADHO CN(Cc1ccccc1)[C@H](CN[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000423063738 296373725 /nfs/dbraw/zinc/37/37/25/296373725.db2.gz POBCBVKIFNWIOB-RBUKOAKNSA-N 1 3 301.478 2.629 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@H](C)c1ccc(Br)s1 ZINC000423062710 296373929 /nfs/dbraw/zinc/37/39/29/296373929.db2.gz UTBMWCILFBRROI-ZJUUUORDSA-N 1 3 321.284 2.915 20 0 DFADHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnccc1N ZINC000423086752 296376658 /nfs/dbraw/zinc/37/66/58/296376658.db2.gz NYGKZMXBLKMSQB-RDJZCZTQSA-N 1 3 310.445 2.667 20 0 DFADHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnccc1N ZINC000423086752 296376659 /nfs/dbraw/zinc/37/66/59/296376659.db2.gz NYGKZMXBLKMSQB-RDJZCZTQSA-N 1 3 310.445 2.667 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cnccc1N ZINC000423086752 296376661 /nfs/dbraw/zinc/37/66/61/296376661.db2.gz NYGKZMXBLKMSQB-RDJZCZTQSA-N 1 3 310.445 2.667 20 0 DFADHO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnccc1N ZINC000423086753 296376848 /nfs/dbraw/zinc/37/68/48/296376848.db2.gz NYGKZMXBLKMSQB-WBVHZDCISA-N 1 3 310.445 2.667 20 0 DFADHO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnccc1N ZINC000423086753 296376849 /nfs/dbraw/zinc/37/68/49/296376849.db2.gz NYGKZMXBLKMSQB-WBVHZDCISA-N 1 3 310.445 2.667 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cnccc1N ZINC000423086753 296376852 /nfs/dbraw/zinc/37/68/52/296376852.db2.gz NYGKZMXBLKMSQB-WBVHZDCISA-N 1 3 310.445 2.667 20 0 DFADHO OCC1(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC2(CCC2)C1 ZINC000423089248 296376974 /nfs/dbraw/zinc/37/69/74/296376974.db2.gz RVPYBIBIECYWQB-GVDBMIGSSA-N 1 3 306.494 2.830 20 0 DFADHO OCC1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC2(CCC2)C1 ZINC000423089249 296377092 /nfs/dbraw/zinc/37/70/92/296377092.db2.gz RVPYBIBIECYWQB-IXDOHACOSA-N 1 3 306.494 2.830 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423083337 296376412 /nfs/dbraw/zinc/37/64/12/296376412.db2.gz FVNHFBSIGPPRKL-JFRPJSFFSA-N 1 3 306.425 2.804 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000423089356 296377301 /nfs/dbraw/zinc/37/73/01/296377301.db2.gz UXPSUVLCWKJFQI-ZHALLVOQSA-N 1 3 301.478 2.881 20 0 DFADHO CC1(c2ccccc2)CC(N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423094412 296377447 /nfs/dbraw/zinc/37/74/47/296377447.db2.gz BRLKRMDRWQERKT-RWSSSABPSA-N 1 3 314.473 2.853 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](CO)CC1CCCC1 ZINC000423101010 296378356 /nfs/dbraw/zinc/37/83/56/296378356.db2.gz NIGVTPHXKPGHLA-SNRMKQJTSA-N 1 3 304.478 2.723 20 0 DFADHO CCCN(C)[C@H](CN[C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423111772 296379736 /nfs/dbraw/zinc/37/97/36/296379736.db2.gz WNNZFXHTOBZMNC-CXAGYDPISA-N 1 3 309.885 2.920 20 0 DFADHO C[C@](CO)(CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423110607 296379805 /nfs/dbraw/zinc/37/98/05/296379805.db2.gz PGZUZQCLLPYDMO-UAFMIMERSA-N 1 3 316.489 2.837 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1c[nH]c2cccc(Br)c12 ZINC000423120719 296380845 /nfs/dbraw/zinc/38/08/45/296380845.db2.gz HLPIJJIACSBKPN-OLZOCXBDSA-N 1 3 322.250 2.942 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423123802 296380923 /nfs/dbraw/zinc/38/09/23/296380923.db2.gz FHUPMYOLJNHBSC-YPMHNXCESA-N 1 3 301.356 2.750 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCc1cccc(C(F)(F)F)n1 ZINC000423123802 296380924 /nfs/dbraw/zinc/38/09/24/296380924.db2.gz FHUPMYOLJNHBSC-YPMHNXCESA-N 1 3 301.356 2.750 20 0 DFADHO CC(C)c1nnc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000423128537 296382049 /nfs/dbraw/zinc/38/20/49/296382049.db2.gz KVWNLMCPFYJGOS-MJBXVCDLSA-N 1 3 308.495 2.714 20 0 DFADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)c(Cl)c1OC ZINC000423133580 296382576 /nfs/dbraw/zinc/38/25/76/296382576.db2.gz KZKOPUKTUNUZSU-CHWSQXEVSA-N 1 3 312.841 2.617 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2C[NH3+])c(Cl)c1OC ZINC000423133580 296382577 /nfs/dbraw/zinc/38/25/77/296382577.db2.gz KZKOPUKTUNUZSU-CHWSQXEVSA-N 1 3 312.841 2.617 20 0 DFADHO Cc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C2 ZINC000423133766 296382475 /nfs/dbraw/zinc/38/24/75/296382475.db2.gz CWBZVNYWKRNTLB-RHSMWYFYSA-N 1 3 311.429 2.811 20 0 DFADHO C[C@@H](NCc1ccn(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158446410 197273275 /nfs/dbraw/zinc/27/32/75/197273275.db2.gz IVMGYTVWXXDZBW-OAHLLOKOSA-N 1 3 301.434 2.816 20 0 DFADHO CO[C@@H]([C@H](C)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423149423 296385558 /nfs/dbraw/zinc/38/55/58/296385558.db2.gz AOOFFUDFJRMNBK-BIGGFVEDSA-N 1 3 316.445 2.645 20 0 DFADHO CSc1ccc([C@H](CN[C@H](C)[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000423147639 296385104 /nfs/dbraw/zinc/38/51/04/296385104.db2.gz SLWGFOFHFIALKI-UNEWFSDZSA-N 1 3 307.507 2.599 20 0 DFADHO c1ccc2c(c1)SC[C@@H]2CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423147131 296385187 /nfs/dbraw/zinc/38/51/87/296385187.db2.gz RCLBCNPGGMIPEP-QMCVQRASSA-N 1 3 318.486 2.623 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000423157675 296386247 /nfs/dbraw/zinc/38/62/47/296386247.db2.gz MWUNWXFMBWXLEQ-XHDPSFHLSA-N 1 3 300.805 2.965 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423157675 296386248 /nfs/dbraw/zinc/38/62/48/296386248.db2.gz MWUNWXFMBWXLEQ-XHDPSFHLSA-N 1 3 300.805 2.965 20 0 DFADHO C[NH+](C)[C@H](CC(=O)NC[C@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000617009388 399570773 /nfs/dbraw/zinc/57/07/73/399570773.db2.gz XZWHIZVMYLAITB-IAGOWNOFSA-N 1 3 317.477 2.668 20 0 DFADHO Cc1ccc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000423160982 296386587 /nfs/dbraw/zinc/38/65/87/296386587.db2.gz IGBWUOKJOUIKDR-QUCCMNQESA-N 1 3 323.440 2.778 20 0 DFADHO C[N@H+](CCC(=O)NC[C@H]1CCN1C(C)(C)C)C1CCCCC1 ZINC000617010192 399571459 /nfs/dbraw/zinc/57/14/59/399571459.db2.gz KNLWIRVJPRLZLP-MRXNPFEDSA-N 1 3 309.498 2.630 20 0 DFADHO C[N@@H+](CCC(=O)NC[C@H]1CCN1C(C)(C)C)C1CCCCC1 ZINC000617010192 399571465 /nfs/dbraw/zinc/57/14/65/399571465.db2.gz KNLWIRVJPRLZLP-MRXNPFEDSA-N 1 3 309.498 2.630 20 0 DFADHO Cc1ccc2cc([C@@H](C)NCCCN3CC[NH2+]CC3)oc2c1 ZINC000423175474 296388054 /nfs/dbraw/zinc/38/80/54/296388054.db2.gz APUHTGOUELUAFW-OAHLLOKOSA-N 1 3 301.434 2.687 20 0 DFADHO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C1CCNCC1 ZINC000423175396 296388186 /nfs/dbraw/zinc/38/81/86/296388186.db2.gz AETDVJXBMHJGQY-JTQLQIEISA-N 1 3 315.230 2.861 20 0 DFADHO C[C@@H](Cc1ccc(F)cc1Br)NC1CC[NH2+]CC1 ZINC000423175396 296388188 /nfs/dbraw/zinc/38/81/88/296388188.db2.gz AETDVJXBMHJGQY-JTQLQIEISA-N 1 3 315.230 2.861 20 0 DFADHO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCN ZINC000423177481 296388460 /nfs/dbraw/zinc/38/84/60/296388460.db2.gz DZPFPHAKKFHTCX-QPUJVOFHSA-N 1 3 301.253 2.780 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CS1 ZINC000423176900 296388551 /nfs/dbraw/zinc/38/85/51/296388551.db2.gz GNJVCPHICZZRQL-IARIHHJXSA-N 1 3 304.459 2.726 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCCNC2)cc1OC ZINC000423205191 296392249 /nfs/dbraw/zinc/39/22/49/296392249.db2.gz BCUDXUILJVBNGU-ARFHVFGLSA-N 1 3 320.477 2.921 20 0 DFADHO COc1cc(C)c(C[C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423205191 296392251 /nfs/dbraw/zinc/39/22/51/296392251.db2.gz BCUDXUILJVBNGU-ARFHVFGLSA-N 1 3 320.477 2.921 20 0 DFADHO Cc1ccc([C@@H](NCCN2CC[NH2+]CC2)c2ccccc2)c(C)c1 ZINC000423211445 296392898 /nfs/dbraw/zinc/39/28/98/296392898.db2.gz YEQKMIAGAZQCLR-NRFANRHFSA-N 1 3 323.484 2.888 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H](NC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423216967 296393370 /nfs/dbraw/zinc/39/33/70/296393370.db2.gz STGHYHAUNOLJAD-QGTPRVQTSA-N 1 3 316.445 2.757 20 0 DFADHO Cn1cc([C@@H](NCC[C@@H]2CCC[NH2+]C2)c2cccc(F)c2)cn1 ZINC000423256758 296397448 /nfs/dbraw/zinc/39/74/48/296397448.db2.gz FWBWMCSQBQCAML-KSSFIOAISA-N 1 3 316.424 2.628 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@H](C)Cc1ccc(F)cc1Br ZINC000423270712 296399271 /nfs/dbraw/zinc/39/92/71/296399271.db2.gz IDKDIQMYZSDRKP-WDEREUQCSA-N 1 3 317.246 2.964 20 0 DFADHO CC(C)(C)C1CCC(CNCc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000629405345 399595116 /nfs/dbraw/zinc/59/51/16/399595116.db2.gz JATHSWWDIODDJY-DQPZFDDXSA-N 1 3 319.497 2.755 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423273424 296399521 /nfs/dbraw/zinc/39/95/21/296399521.db2.gz KQHGQNRSCMYTNA-XJKSGUPXSA-N 1 3 306.454 2.850 20 0 DFADHO C[C@@H](CNCc1cn([C@H]2CC[NH2+]C2)nn1)CC1CCCCC1 ZINC000629407025 399595560 /nfs/dbraw/zinc/59/55/60/399595560.db2.gz VRUNFNQSJWPARF-PBHICJAKSA-N 1 3 305.470 2.509 20 0 DFADHO CCC[NH+]1CCC(NC(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423303674 296402452 /nfs/dbraw/zinc/40/24/52/296402452.db2.gz JFBABCOPMIDDAI-QGZVFWFLSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H](NCCCC[NH3+])c1ccccc1I ZINC000423330031 296405294 /nfs/dbraw/zinc/40/52/94/296405294.db2.gz LQYHXAULESYDAI-SNVBAGLBSA-N 1 3 318.202 2.681 20 0 DFADHO CC1(C)CCCN[C@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000423357217 296408129 /nfs/dbraw/zinc/40/81/29/296408129.db2.gz LUPBKNJANNXMPC-KRWDZBQOSA-N 1 3 321.509 2.535 20 0 DFADHO OC(CN1CCC[C@H](C2CC2)C1)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344052860 285231836 /nfs/dbraw/zinc/23/18/36/285231836.db2.gz INCLPPQNQYUYRX-ROUUACIJSA-N 1 3 306.494 2.591 20 0 DFADHO OC(CN1CCC[C@H](C2CC2)C1)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344052860 285231840 /nfs/dbraw/zinc/23/18/40/285231840.db2.gz INCLPPQNQYUYRX-ROUUACIJSA-N 1 3 306.494 2.591 20 0 DFADHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423387082 296411394 /nfs/dbraw/zinc/41/13/94/296411394.db2.gz HMFAEYLWNOUMNO-LRDDRELGSA-N 1 3 309.404 2.521 20 0 DFADHO CC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423395408 296412210 /nfs/dbraw/zinc/41/22/10/296412210.db2.gz SNQWKDLQKOKECW-LSDHHAIUSA-N 1 3 315.383 2.563 20 0 DFADHO COc1ccc([C@@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(OC)c1 ZINC000423446172 296417373 /nfs/dbraw/zinc/41/73/73/296417373.db2.gz SPFSVIPPBIGJPO-OAUYIBNBSA-N 1 3 304.434 2.743 20 0 DFADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000423434969 296416510 /nfs/dbraw/zinc/41/65/10/296416510.db2.gz KXCWYUJACWRUCS-AFAVFJNCSA-N 1 3 305.441 2.930 20 0 DFADHO Cc1c([C@H](C)N[C@H](C)CCC[NH3+])nnn1-c1ccc(C)cc1 ZINC000423454847 296417920 /nfs/dbraw/zinc/41/79/20/296417920.db2.gz MBORBHNJVJVKLZ-KGLIPLIRSA-N 1 3 301.438 2.662 20 0 DFADHO CCOC[C@H]1CCC[C@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423515496 296424851 /nfs/dbraw/zinc/42/48/51/296424851.db2.gz AARLDLVICOSUPT-OEOKKZFJSA-N 1 3 306.494 2.935 20 0 DFADHO COc1ccc(C[N@H+](C)C[C@H]2CCN(C)C2)cc1OC(F)F ZINC000120659305 195211066 /nfs/dbraw/zinc/21/10/66/195211066.db2.gz PJYKKHIAAQCCTK-ZDUSSCGKSA-N 1 3 314.376 2.680 20 0 DFADHO COc1ccc(C[N@@H+](C)C[C@H]2CCN(C)C2)cc1OC(F)F ZINC000120659305 195211067 /nfs/dbraw/zinc/21/10/67/195211067.db2.gz PJYKKHIAAQCCTK-ZDUSSCGKSA-N 1 3 314.376 2.680 20 0 DFADHO [NH3+]C[C@@H](NC(=O)C12CCCN1CCC2)c1ccc2ccccc2c1 ZINC000423592323 296431388 /nfs/dbraw/zinc/43/13/88/296431388.db2.gz DIHSHYIURUTBGN-GOSISDBHSA-N 1 3 323.440 2.584 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000271603266 209050658 /nfs/dbraw/zinc/05/06/58/209050658.db2.gz ZUWBXNKARRQMAU-INMHGKMJSA-N 1 3 306.450 2.845 20 0 DFADHO COCCOCc1ccc(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000289528911 221043498 /nfs/dbraw/zinc/04/34/98/221043498.db2.gz BSPPRZQWJPBEBF-MOPGFXCFSA-N 1 3 320.477 2.812 20 0 DFADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1cccc(-c2ccncc2)c1 ZINC000629521866 399634743 /nfs/dbraw/zinc/63/47/43/399634743.db2.gz SOSMQZKQRWVOPC-OAHLLOKOSA-N 1 3 311.429 2.907 20 0 DFADHO C[NH2+]CCOCCN[C@@H]1CCSc2c(Cl)cccc21 ZINC000629528594 399636904 /nfs/dbraw/zinc/63/69/04/399636904.db2.gz DLGXPRXGFQCLGE-CYBMUJFWSA-N 1 3 300.855 2.703 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)nc2)C1 ZINC000289951602 221337932 /nfs/dbraw/zinc/33/79/32/221337932.db2.gz WOMCLDNRKBNZGY-VXGBXAGGSA-N 1 3 312.255 2.837 20 0 DFADHO Cc1cc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc(C)c1O ZINC000289967797 221347877 /nfs/dbraw/zinc/34/78/77/221347877.db2.gz BOPKKRVCHYPJJO-INIZCTEOSA-N 1 3 318.461 2.600 20 0 DFADHO C[NH2+]CCOCCN[C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000629529912 399638063 /nfs/dbraw/zinc/63/80/63/399638063.db2.gz QGWGBWUCNRFNTD-ZDUSSCGKSA-N 1 3 303.233 2.806 20 0 DFADHO CC[C@H](NCCOCCC[NH3+])c1cc(Cl)ccc1OC ZINC000629534526 399639167 /nfs/dbraw/zinc/63/91/67/399639167.db2.gz AMTCVZCBSCJREM-AWEZNQCLSA-N 1 3 300.830 2.755 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000290033330 221391742 /nfs/dbraw/zinc/39/17/42/221391742.db2.gz RYWUOLXITCUBGK-IRXDYDNUSA-N 1 3 303.450 2.855 20 0 DFADHO CN(CCOCC[NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000629577914 399653506 /nfs/dbraw/zinc/65/35/06/399653506.db2.gz FJXXRKUJEKKVSB-UHFFFAOYSA-N 1 3 314.429 2.673 20 0 DFADHO CC(C)c1ccc(O[C@@H](C)C[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000629581112 399653994 /nfs/dbraw/zinc/65/39/94/399653994.db2.gz NMHSBGBXUCKOGE-FUHWJXTLSA-N 1 3 320.477 2.624 20 0 DFADHO CC[C@H](c1ccc(Br)cc1)N(C)CCOCC[NH3+] ZINC000629577443 399654235 /nfs/dbraw/zinc/65/42/35/399654235.db2.gz IAQMRMXOTJPSBO-CQSZACIVSA-N 1 3 315.255 2.807 20 0 DFADHO CCc1ccc(C2CC[NH+](C[C@@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000629584091 399656328 /nfs/dbraw/zinc/65/63/28/399656328.db2.gz NWVRQSUGMQAEIY-IBGZPJMESA-N 1 3 314.473 2.949 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)C1 ZINC000629544641 399643044 /nfs/dbraw/zinc/64/30/44/399643044.db2.gz JTAUJSUPNOZEDD-MGPQQGTHSA-N 1 3 311.832 2.917 20 0 DFADHO CC(C)(CNC[C@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000629559936 399649097 /nfs/dbraw/zinc/64/90/97/399649097.db2.gz VOLVCURVLZTGKF-INIZCTEOSA-N 1 3 310.869 2.664 20 0 DFADHO Fc1ccc(/C=C/CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000629672633 399684883 /nfs/dbraw/zinc/68/48/83/399684883.db2.gz NQGONVVWXCXZBE-SNDJDQCESA-N 1 3 318.436 2.929 20 0 DFADHO C[NH+](C)CCc1ccc(-c2ccc(N3CCNCC3)cc2)cc1 ZINC000629732406 399706035 /nfs/dbraw/zinc/70/60/35/399706035.db2.gz UOYSYNUSABHZQW-UHFFFAOYSA-N 1 3 309.457 2.867 20 0 DFADHO COC1(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000090650845 542538047 /nfs/dbraw/zinc/53/80/47/542538047.db2.gz DNVNYMCDDUCCIK-AEFFLSMTSA-N 1 3 324.509 2.815 20 0 DFADHO COC1(C[NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000090650845 542538052 /nfs/dbraw/zinc/53/80/52/542538052.db2.gz DNVNYMCDDUCCIK-AEFFLSMTSA-N 1 3 324.509 2.815 20 0 DFADHO CCOC[C@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093418938 542554013 /nfs/dbraw/zinc/55/40/13/542554013.db2.gz QIVZKJHHSDTIQU-SFHVURJKSA-N 1 3 320.477 2.876 20 0 DFADHO CCOC[C@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093418938 542554016 /nfs/dbraw/zinc/55/40/16/542554016.db2.gz QIVZKJHHSDTIQU-SFHVURJKSA-N 1 3 320.477 2.876 20 0 DFADHO C[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)S1 ZINC000092540359 542548405 /nfs/dbraw/zinc/54/84/05/542548405.db2.gz BZJNHOUJARCTCW-GASCZTMLSA-N 1 3 308.491 2.953 20 0 DFADHO OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000295039839 224397361 /nfs/dbraw/zinc/39/73/61/224397361.db2.gz MNVXLULSBYGWQB-JAZQRGJZSA-N 1 3 314.473 2.648 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C2CC2)cc1 ZINC000617502090 399719057 /nfs/dbraw/zinc/71/90/57/399719057.db2.gz BRUVUWZQXCBEDS-HNNXBMFYSA-N 1 3 317.477 2.566 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C2CC2)cc1 ZINC000617502090 399719061 /nfs/dbraw/zinc/71/90/61/399719061.db2.gz BRUVUWZQXCBEDS-HNNXBMFYSA-N 1 3 317.477 2.566 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000617506795 399720849 /nfs/dbraw/zinc/72/08/49/399720849.db2.gz ZFAIWVIQHWMSJJ-JKSUJKDBSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000617506795 399720851 /nfs/dbraw/zinc/72/08/51/399720851.db2.gz ZFAIWVIQHWMSJJ-JKSUJKDBSA-N 1 3 311.514 2.591 20 0 DFADHO CCC[NH+]1CCC(N[C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000348085777 285337224 /nfs/dbraw/zinc/33/72/24/285337224.db2.gz MXISVAADMVMYCL-OAHLLOKOSA-N 1 3 313.449 2.792 20 0 DFADHO CN(C)Cc1ccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000348100221 285348925 /nfs/dbraw/zinc/34/89/25/285348925.db2.gz FNTPZHOPAUIKFJ-GJZGRUSLSA-N 1 3 316.367 2.948 20 0 DFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000121101134 195293661 /nfs/dbraw/zinc/29/36/61/195293661.db2.gz NCRIQRJXMTXPAZ-HOTGVXAUSA-N 1 3 307.457 2.750 20 0 DFADHO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(OCCN(C)C)cc1 ZINC000121340562 542584658 /nfs/dbraw/zinc/58/46/58/542584658.db2.gz MMHPGVMYPWWOBN-NUJGCVRESA-N 1 3 320.477 2.829 20 0 DFADHO Cc1cccc2c1CC[C@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000154351903 542688573 /nfs/dbraw/zinc/68/85/73/542688573.db2.gz NGBWTKYWLZVFLR-LJQANCHMSA-N 1 3 301.478 2.600 20 0 DFADHO C[NH2+]C1(CNC(=O)c2cccc(CN3CCCCC3)c2)CCC1 ZINC000630002904 399788972 /nfs/dbraw/zinc/78/89/72/399788972.db2.gz NGHPBKLVXNFEDC-UHFFFAOYSA-N 1 3 315.461 2.544 20 0 DFADHO C[C@H](CCNC(=O)c1oc2ccccc2c1CN(C)C)[NH+](C)C ZINC000617752139 399790078 /nfs/dbraw/zinc/79/00/78/399790078.db2.gz KIEHWJGNNVFQNL-CYBMUJFWSA-N 1 3 317.433 2.564 20 0 DFADHO CN(C)CCc1ccccc1NC(=O)NC1(C[NH3+])CCCCC1 ZINC000632938259 399800836 /nfs/dbraw/zinc/80/08/36/399800836.db2.gz SZMIZKNNAOYCAI-UHFFFAOYSA-N 1 3 318.465 2.574 20 0 DFADHO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000180426203 542784323 /nfs/dbraw/zinc/78/43/23/542784323.db2.gz UFOWLARRHSKYIA-MAUKXSAKSA-N 1 3 312.461 2.933 20 0 DFADHO [NH3+]C1CCC(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000621488045 399813885 /nfs/dbraw/zinc/81/38/85/399813885.db2.gz SNWVXJJYGZJHEC-NRXISQOPSA-N 1 3 321.490 2.519 20 0 DFADHO CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000236695394 542896397 /nfs/dbraw/zinc/89/63/97/542896397.db2.gz FLEVQMCMKULAAS-ROUUACIJSA-N 1 3 317.477 2.531 20 0 DFADHO CCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@@H]1CCN(CC)C1 ZINC000617925487 399834937 /nfs/dbraw/zinc/83/49/37/399834937.db2.gz MOTMQADZLFTKCM-QGZVFWFLSA-N 1 3 309.498 2.584 20 0 DFADHO CCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CCN(CC)C1 ZINC000617925487 399834942 /nfs/dbraw/zinc/83/49/42/399834942.db2.gz MOTMQADZLFTKCM-QGZVFWFLSA-N 1 3 309.498 2.584 20 0 DFADHO CCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCN(CC)C1 ZINC000617924918 399835083 /nfs/dbraw/zinc/83/50/83/399835083.db2.gz BBVBETHKZGMTSO-ZWKOTPCHSA-N 1 3 317.477 2.622 20 0 DFADHO C[C@@H]1C[C@@H](CCNCc2cncnc2)C[N@@H+]1Cc1ccccc1 ZINC000338195241 543135151 /nfs/dbraw/zinc/13/51/51/543135151.db2.gz MFKCAAFZUMESKZ-SJLPKXTDSA-N 1 3 310.445 2.867 20 0 DFADHO C[C@@H]1C[C@@H](CCNCc2cncnc2)C[N@H+]1Cc1ccccc1 ZINC000338195241 543135153 /nfs/dbraw/zinc/13/51/53/543135153.db2.gz MFKCAAFZUMESKZ-SJLPKXTDSA-N 1 3 310.445 2.867 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1F ZINC000339067238 543140489 /nfs/dbraw/zinc/14/04/89/543140489.db2.gz FNXASUJODUITMB-SJORKVTESA-N 1 3 305.441 2.604 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1F ZINC000339067238 543140493 /nfs/dbraw/zinc/14/04/93/543140493.db2.gz FNXASUJODUITMB-SJORKVTESA-N 1 3 305.441 2.604 20 0 DFADHO CN(C)Cc1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1F ZINC000339067236 543140609 /nfs/dbraw/zinc/14/06/09/543140609.db2.gz FNXASUJODUITMB-IRXDYDNUSA-N 1 3 305.441 2.604 20 0 DFADHO CN(C)Cc1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1F ZINC000339067236 543140611 /nfs/dbraw/zinc/14/06/11/543140611.db2.gz FNXASUJODUITMB-IRXDYDNUSA-N 1 3 305.441 2.604 20 0 DFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CC[C@H]1C1CC1 ZINC000343993149 543169833 /nfs/dbraw/zinc/16/98/33/543169833.db2.gz ROIVPGZAQWLEFA-DLBZAZTESA-N 1 3 303.450 2.690 20 0 DFADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000348128952 543183662 /nfs/dbraw/zinc/18/36/62/543183662.db2.gz WRFBOBPNQDYJHR-VQTJNVASSA-N 1 3 314.473 2.922 20 0 DFADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000348128953 543183982 /nfs/dbraw/zinc/18/39/82/543183982.db2.gz WRFBOBPNQDYJHR-WOJBJXKFSA-N 1 3 314.473 2.922 20 0 DFADHO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000353628854 543237177 /nfs/dbraw/zinc/23/71/77/543237177.db2.gz CNBYNPOHANALIR-MSOLQXFVSA-N 1 3 317.477 2.502 20 0 DFADHO CCC[NH+]1CCC(NC[C@](C)(CO)Cc2ccccc2)CC1 ZINC000357781509 543263760 /nfs/dbraw/zinc/26/37/60/543263760.db2.gz ARNUEWMHQYUPBN-LJQANCHMSA-N 1 3 304.478 2.692 20 0 DFADHO OC1(C[NH2+]C(C2CC2)C2CC2)CCN(Cc2ccccc2)CC1 ZINC000397503729 543311004 /nfs/dbraw/zinc/31/10/04/543311004.db2.gz GZQWASLKVFVRPJ-UHFFFAOYSA-N 1 3 314.473 2.792 20 0 DFADHO CC[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1OC)N(CC)CC ZINC000633373378 399893999 /nfs/dbraw/zinc/89/39/99/399893999.db2.gz JLASCTZXIUQBMJ-INIZCTEOSA-N 1 3 321.465 2.816 20 0 DFADHO C[C@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000633943133 399963197 /nfs/dbraw/zinc/96/31/97/399963197.db2.gz CPHZAKVURRZEAO-BRWVUGGUSA-N 1 3 321.509 2.725 20 0 DFADHO CC[C@@H](C(=O)N1CCC(CC)([NH+]2CCCC2)CC1)N(CC)CC ZINC000633954111 399964963 /nfs/dbraw/zinc/96/49/63/399964963.db2.gz WCJIOZUHIAQJIE-KRWDZBQOSA-N 1 3 323.525 2.974 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000634122291 399985265 /nfs/dbraw/zinc/98/52/65/399985265.db2.gz VKMRSQUOOVYMGA-MRXNPFEDSA-N 1 3 309.498 2.584 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2ccncc2Br)C1 ZINC000631157664 399992207 /nfs/dbraw/zinc/99/22/07/399992207.db2.gz DNHIHJRLDSAUMC-LBPRGKRZSA-N 1 3 312.255 2.666 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2ccncc2Br)C1 ZINC000631157664 399992209 /nfs/dbraw/zinc/99/22/09/399992209.db2.gz DNHIHJRLDSAUMC-LBPRGKRZSA-N 1 3 312.255 2.666 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(C3CC3)o2)C[C@@H](C)O1 ZINC000628218305 400003430 /nfs/dbraw/zinc/00/34/30/400003430.db2.gz ARLUJFGZCHXRDY-ZIAGYGMSSA-N 1 3 307.438 2.531 20 0 DFADHO CN1CCCC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000628425431 400031519 /nfs/dbraw/zinc/03/15/19/400031519.db2.gz KNZCVRLGJPVLEY-QGZVFWFLSA-N 1 3 302.462 2.876 20 0 DFADHO C[N@@H+]1CCCC[C@H](CNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000628748934 400052487 /nfs/dbraw/zinc/05/24/87/400052487.db2.gz ZKMMGIYIEGNUOA-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@H+]1CCCC[C@H](CNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000628748934 400052489 /nfs/dbraw/zinc/05/24/89/400052489.db2.gz ZKMMGIYIEGNUOA-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO Cc1ccc(NC(=O)CN[C@@H](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000631647840 400061610 /nfs/dbraw/zinc/06/16/10/400061610.db2.gz IYVBAJFEJCCCJD-ZDUSSCGKSA-N 1 3 323.868 2.907 20 0 DFADHO Cc1ccc(NC(=O)CN[C@H](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000631647837 400061670 /nfs/dbraw/zinc/06/16/70/400061670.db2.gz IYVBAJFEJCCCJD-CYBMUJFWSA-N 1 3 323.868 2.907 20 0 DFADHO C[C@H](Cc1cnccn1)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000631661717 400063424 /nfs/dbraw/zinc/06/34/24/400063424.db2.gz BWGPIIKVZWELRF-LMMKCTJWSA-N 1 3 324.472 2.765 20 0 DFADHO C[C@H](Cc1cnccn1)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631661717 400063427 /nfs/dbraw/zinc/06/34/27/400063427.db2.gz BWGPIIKVZWELRF-LMMKCTJWSA-N 1 3 324.472 2.765 20 0 DFADHO C[C@H](Cc1cnccn1)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631661717 400063429 /nfs/dbraw/zinc/06/34/29/400063429.db2.gz BWGPIIKVZWELRF-LMMKCTJWSA-N 1 3 324.472 2.765 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000631663343 400063836 /nfs/dbraw/zinc/06/38/36/400063836.db2.gz IOHFEHWIGLHPPR-SCTDSRPQSA-N 1 3 312.461 2.629 20 0 DFADHO C[C@H](Cn1cccn1)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631663343 400063837 /nfs/dbraw/zinc/06/38/37/400063837.db2.gz IOHFEHWIGLHPPR-SCTDSRPQSA-N 1 3 312.461 2.629 20 0 DFADHO C[C@H](Cn1cccn1)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631663343 400063839 /nfs/dbraw/zinc/06/38/39/400063839.db2.gz IOHFEHWIGLHPPR-SCTDSRPQSA-N 1 3 312.461 2.629 20 0 DFADHO CCN1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667164 400064440 /nfs/dbraw/zinc/06/44/40/400064440.db2.gz LQBNNVGIFBKRPB-MJGOQNOKSA-N 1 3 315.505 2.828 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000631754509 400072512 /nfs/dbraw/zinc/07/25/12/400072512.db2.gz JPULCJVKSKIPGX-RFQIPJPRSA-N 1 3 308.388 2.664 20 0 DFADHO C[C@@H]1CN(Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000631840041 400078871 /nfs/dbraw/zinc/07/88/71/400078871.db2.gz OVDPKKSGQUZIOI-DGCLKSJQSA-N 1 3 302.340 2.654 20 0 DFADHO C[C@@H]1CN(Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000631839827 400078880 /nfs/dbraw/zinc/07/88/80/400078880.db2.gz LKCSOFUDYNYBNN-YPMHNXCESA-N 1 3 302.340 2.654 20 0 DFADHO C[C@H]([NH2+]CCOCCN(C)C)C1CCC(C(F)(F)F)CC1 ZINC000433085886 543348280 /nfs/dbraw/zinc/34/82/80/543348280.db2.gz YDIMNAWCMFXDNV-HSBZDZAISA-N 1 3 310.404 2.911 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C(=O)CC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000237465671 146044442 /nfs/dbraw/zinc/04/44/42/146044442.db2.gz MSJCBFGLZRXRNE-WBVHZDCISA-N 1 3 317.477 2.625 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](C)Oc2cccc(OC)c2)[C@@H](C)C1 ZINC000247104362 146161396 /nfs/dbraw/zinc/16/13/96/146161396.db2.gz OUZXXSNKXXTTBD-MPGHIAIKSA-N 1 3 306.450 2.782 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](C)Oc2cccc(OC)c2)[C@@H](C)C1 ZINC000247104362 146161397 /nfs/dbraw/zinc/16/13/97/146161397.db2.gz OUZXXSNKXXTTBD-MPGHIAIKSA-N 1 3 306.450 2.782 20 0 DFADHO C[C@@H](CCC1CC1)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000249003960 146182547 /nfs/dbraw/zinc/18/25/47/146182547.db2.gz NNLAYFFXDGKXME-HNAYVOBHSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@H](O)C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000249060147 146185609 /nfs/dbraw/zinc/18/56/09/146185609.db2.gz ZRNFHBDEFNISKE-ZUWIJXEISA-N 1 3 302.462 2.756 20 0 DFADHO C[C@H](O)C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000249060147 146185611 /nfs/dbraw/zinc/18/56/11/146185611.db2.gz ZRNFHBDEFNISKE-ZUWIJXEISA-N 1 3 302.462 2.756 20 0 DFADHO C[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000249764200 146205446 /nfs/dbraw/zinc/20/54/46/146205446.db2.gz YGZBOKXTWWVPAX-OWCLPIDISA-N 1 3 309.498 2.628 20 0 DFADHO OCCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000250095561 146209685 /nfs/dbraw/zinc/20/96/85/146209685.db2.gz QSOUVRMGXCVXPX-GUDVDZBRSA-N 1 3 314.473 2.649 20 0 DFADHO C[N@H+](CCc1ccc(Br)cc1)C[C@H]1CCCNC1 ZINC000258891447 146236712 /nfs/dbraw/zinc/23/67/12/146236712.db2.gz CQFCVDMOORJGEG-AWEZNQCLSA-N 1 3 311.267 2.923 20 0 DFADHO C[N@@H+](CCc1ccc(Br)cc1)C[C@H]1CCCNC1 ZINC000258891447 146236714 /nfs/dbraw/zinc/23/67/14/146236714.db2.gz CQFCVDMOORJGEG-AWEZNQCLSA-N 1 3 311.267 2.923 20 0 DFADHO C[C@@]1(CN(Cc2ccccc2)CC2CCOCC2)CC[NH2+]C1 ZINC000261684017 146259567 /nfs/dbraw/zinc/25/95/67/146259567.db2.gz ANGVLLPQDNYDPC-LJQANCHMSA-N 1 3 302.462 2.915 20 0 DFADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000261738285 146268188 /nfs/dbraw/zinc/26/81/88/146268188.db2.gz NQSAUFXYDKTMIZ-GJZGRUSLSA-N 1 3 319.424 2.708 20 0 DFADHO c1cc2c(cc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)OCCO2 ZINC000261752561 146270671 /nfs/dbraw/zinc/27/06/71/146270671.db2.gz PCPXVPFBINSVQU-ZACQAIPSSA-N 1 3 316.445 2.511 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(c2ccccn2)CC1 ZINC000261762159 146272171 /nfs/dbraw/zinc/27/21/71/146272171.db2.gz PYSXJHMAAWRXNF-WMZOPIPTSA-N 1 3 316.493 2.951 20 0 DFADHO COc1ccc(CC2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261776840 146274849 /nfs/dbraw/zinc/27/48/49/146274849.db2.gz NNXLJBYOTNEYDP-IBGZPJMESA-N 1 3 302.462 2.949 20 0 DFADHO CCCOc1ccc(OCCN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261816882 146281814 /nfs/dbraw/zinc/28/18/14/146281814.db2.gz GZBZZOFBMVFKEQ-KFKAGJAMSA-N 1 3 318.461 2.913 20 0 DFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@H](N)c1ccccc1 ZINC000261820232 146282609 /nfs/dbraw/zinc/28/26/09/146282609.db2.gz WMKZSHKMACZLQE-SFHVURJKSA-N 1 3 319.493 2.903 20 0 DFADHO CC[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261892527 146296600 /nfs/dbraw/zinc/29/66/00/146296600.db2.gz UEJLUGIUWXMUPT-RBUKOAKNSA-N 1 3 301.478 2.582 20 0 DFADHO C[C@@H]([NH3+])C1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000261989882 146316734 /nfs/dbraw/zinc/31/67/34/146316734.db2.gz SFNRELSWPWKZFX-CQSZACIVSA-N 1 3 316.424 2.630 20 0 DFADHO COc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c(OC)c1 ZINC000262033275 146324676 /nfs/dbraw/zinc/32/46/76/146324676.db2.gz ZDSDLGOSHKWIQD-KRWDZBQOSA-N 1 3 304.434 2.668 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3ccccc3Cl)C[C@@H]21 ZINC000262099668 146332930 /nfs/dbraw/zinc/33/29/30/146332930.db2.gz ISSDVUPJBCMQMZ-KCQAQPDRSA-N 1 3 321.852 2.728 20 0 DFADHO CCC[C@](C)(N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000262095161 146333617 /nfs/dbraw/zinc/33/36/17/146333617.db2.gz BHCGPSPJMLXYTM-SFHVURJKSA-N 1 3 309.498 2.619 20 0 DFADHO CCC[C@](C)(N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000262095161 146333619 /nfs/dbraw/zinc/33/36/19/146333619.db2.gz BHCGPSPJMLXYTM-SFHVURJKSA-N 1 3 309.498 2.619 20 0 DFADHO [NH3+]CC[C@H]1CCCN(CCOc2ccc(F)cc2Cl)C1 ZINC000262145374 146339208 /nfs/dbraw/zinc/33/92/08/146339208.db2.gz QJNNWBKAWVZFQM-GFCCVEGCSA-N 1 3 300.805 2.919 20 0 DFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262353519 146353422 /nfs/dbraw/zinc/35/34/22/146353422.db2.gz UUMISOUNDKPJEJ-OLQSNFDLSA-N 1 3 321.509 2.519 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000354409424 147027222 /nfs/dbraw/zinc/02/72/22/147027222.db2.gz SLFLIVVDYIUAQE-QZTJIDSGSA-N 1 3 323.525 2.878 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000354409424 147027225 /nfs/dbraw/zinc/02/72/25/147027225.db2.gz SLFLIVVDYIUAQE-QZTJIDSGSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C(C)(C)C1 ZINC000354849822 147175775 /nfs/dbraw/zinc/17/57/75/147175775.db2.gz MAQCTGBHWFYAID-NVXWUHKLSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C(C)(C)C1 ZINC000354849822 147175778 /nfs/dbraw/zinc/17/57/78/147175778.db2.gz MAQCTGBHWFYAID-NVXWUHKLSA-N 1 3 317.477 2.526 20 0 DFADHO Cc1cccc2c1CC[C@@H]2NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000358304380 148322025 /nfs/dbraw/zinc/32/20/25/148322025.db2.gz RWANGIWOKXLHLG-SLFFLAALSA-N 1 3 314.473 2.950 20 0 DFADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)F ZINC000358573118 148389608 /nfs/dbraw/zinc/38/96/08/148389608.db2.gz QSQPFBMBAVODFK-QBPKDAKJSA-N 1 3 324.415 2.503 20 0 DFADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)F ZINC000358573118 148389613 /nfs/dbraw/zinc/38/96/13/148389613.db2.gz QSQPFBMBAVODFK-QBPKDAKJSA-N 1 3 324.415 2.503 20 0 DFADHO O[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C(F)F ZINC000358573118 148389618 /nfs/dbraw/zinc/38/96/18/148389618.db2.gz QSQPFBMBAVODFK-QBPKDAKJSA-N 1 3 324.415 2.503 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361045714 149016597 /nfs/dbraw/zinc/01/65/97/149016597.db2.gz MEWFTURCVGAMPK-GOSISDBHSA-N 1 3 304.482 2.860 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(CCCn2ccnc2)CC1 ZINC000361045714 149016598 /nfs/dbraw/zinc/01/65/98/149016598.db2.gz MEWFTURCVGAMPK-GOSISDBHSA-N 1 3 304.482 2.860 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC(CCCn2ccnc2)CC1 ZINC000361045714 149016601 /nfs/dbraw/zinc/01/66/01/149016601.db2.gz MEWFTURCVGAMPK-GOSISDBHSA-N 1 3 304.482 2.860 20 0 DFADHO CCC[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000361163185 149043494 /nfs/dbraw/zinc/04/34/94/149043494.db2.gz JHBHSODZJZERCE-QZTJIDSGSA-N 1 3 317.477 2.705 20 0 DFADHO CCC[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000361163185 149043495 /nfs/dbraw/zinc/04/34/95/149043495.db2.gz JHBHSODZJZERCE-QZTJIDSGSA-N 1 3 317.477 2.705 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000361395519 149104726 /nfs/dbraw/zinc/10/47/26/149104726.db2.gz OTMFVEOYVHWXSD-OALUTQOASA-N 1 3 303.494 2.605 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000361395519 149104730 /nfs/dbraw/zinc/10/47/30/149104730.db2.gz OTMFVEOYVHWXSD-OALUTQOASA-N 1 3 303.494 2.605 20 0 DFADHO Cc1cccc(CCC[NH+]2CCC(N(C)C[C@@H](C)O)CC2)c1 ZINC000350836800 286094603 /nfs/dbraw/zinc/09/46/03/286094603.db2.gz OTBDXIPEFGPWNJ-QGZVFWFLSA-N 1 3 304.478 2.705 20 0 DFADHO CCC1(CC)CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000362584970 149315531 /nfs/dbraw/zinc/31/55/31/149315531.db2.gz AIRNFLCWFKPEHK-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000371280290 150014733 /nfs/dbraw/zinc/01/47/33/150014733.db2.gz OQRMRMYLZWPHGL-KURKYZTESA-N 1 3 315.461 2.552 20 0 DFADHO C[N@H+](C[C@H](O)CN[C@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000351571691 286157242 /nfs/dbraw/zinc/15/72/42/286157242.db2.gz AVKXVJIWHPXFJX-RTBURBONSA-N 1 3 302.462 2.963 20 0 DFADHO C[N@@H+](C[C@H](O)CN[C@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000351571691 286157243 /nfs/dbraw/zinc/15/72/43/286157243.db2.gz AVKXVJIWHPXFJX-RTBURBONSA-N 1 3 302.462 2.963 20 0 DFADHO CN(CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C)Cc1ccc(F)cc1 ZINC000372357557 150166344 /nfs/dbraw/zinc/16/63/44/150166344.db2.gz PTJHYSLTDGBHSL-RBUKOAKNSA-N 1 3 319.468 2.816 20 0 DFADHO CN(CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C)Cc1ccc(F)cc1 ZINC000372357557 150166346 /nfs/dbraw/zinc/16/63/46/150166346.db2.gz PTJHYSLTDGBHSL-RBUKOAKNSA-N 1 3 319.468 2.816 20 0 DFADHO C[C@@H]([NH2+]CCc1cnccn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372355317 150167319 /nfs/dbraw/zinc/16/73/19/150167319.db2.gz LOTQDJORXWGBDV-SJLPKXTDSA-N 1 3 310.445 2.519 20 0 DFADHO C[C@@H](NCCc1cnccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372355317 150167321 /nfs/dbraw/zinc/16/73/21/150167321.db2.gz LOTQDJORXWGBDV-SJLPKXTDSA-N 1 3 310.445 2.519 20 0 DFADHO C[C@@H](NCCc1cnccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372355317 150167323 /nfs/dbraw/zinc/16/73/23/150167323.db2.gz LOTQDJORXWGBDV-SJLPKXTDSA-N 1 3 310.445 2.519 20 0 DFADHO Cc1ccc(C)c(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000372364084 150167824 /nfs/dbraw/zinc/16/78/24/150167824.db2.gz DERZILQEPDIMPI-HXUWFJFHSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1ccc(C)c(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000372364084 150167827 /nfs/dbraw/zinc/16/78/27/150167827.db2.gz DERZILQEPDIMPI-HXUWFJFHSA-N 1 3 315.505 2.904 20 0 DFADHO CSC[C@@H](O)C[N@@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000372922624 150203080 /nfs/dbraw/zinc/20/30/80/150203080.db2.gz IZPBODNYYUMFEB-MSOLQXFVSA-N 1 3 322.518 2.697 20 0 DFADHO CSC[C@@H](O)C[N@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000372922624 150203082 /nfs/dbraw/zinc/20/30/82/150203082.db2.gz IZPBODNYYUMFEB-MSOLQXFVSA-N 1 3 322.518 2.697 20 0 DFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CN1C1CC1 ZINC000372967067 150208815 /nfs/dbraw/zinc/20/88/15/150208815.db2.gz SWWJDLFHQYTAHK-RVKKMQEKSA-N 1 3 319.493 2.525 20 0 DFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CN1C1CC1 ZINC000372967067 150208817 /nfs/dbraw/zinc/20/88/17/150208817.db2.gz SWWJDLFHQYTAHK-RVKKMQEKSA-N 1 3 319.493 2.525 20 0 DFADHO C[C@H](CCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000373912657 150276901 /nfs/dbraw/zinc/27/69/01/150276901.db2.gz QMEKZUMRJYOCAL-UYAOXDASSA-N 1 3 315.505 2.892 20 0 DFADHO C[C@H](CCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000373912657 150276905 /nfs/dbraw/zinc/27/69/05/150276905.db2.gz QMEKZUMRJYOCAL-UYAOXDASSA-N 1 3 315.505 2.892 20 0 DFADHO C[C@@H]1[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000374232555 150327760 /nfs/dbraw/zinc/32/77/60/150327760.db2.gz VXNKVGJPZMWPNY-WDSOQIARSA-N 1 3 315.505 2.794 20 0 DFADHO c1cnc(CC[NH2+]C2CCN(CC3CCCCC3)CC2)cn1 ZINC000374986362 150378687 /nfs/dbraw/zinc/37/86/87/150378687.db2.gz ADGZNPWJKQFRPZ-UHFFFAOYSA-N 1 3 302.466 2.653 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2cccc3ccccc32)C1 ZINC000351857424 286233339 /nfs/dbraw/zinc/23/33/39/286233339.db2.gz BEWOVQZKKAOYKV-GOEBONIOSA-N 1 3 311.429 2.838 20 0 DFADHO CC(C)N1CCN(CCC[NH+]2CCC(C)(C3CC3)CC2)CC1 ZINC000352176517 286312335 /nfs/dbraw/zinc/31/23/35/286312335.db2.gz PXRHWWNYYOOVEJ-UHFFFAOYSA-N 1 3 307.526 2.915 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000352191463 286315711 /nfs/dbraw/zinc/31/57/11/286315711.db2.gz VHMBKLINIPYHSY-GOSISDBHSA-N 1 3 319.493 2.744 20 0 DFADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000352411797 286366742 /nfs/dbraw/zinc/36/67/42/286366742.db2.gz YXYPZCLWAZIMLL-HOTGVXAUSA-N 1 3 321.509 2.773 20 0 DFADHO Cn1c2ccccc2nc1CCN(CCC[NH3+])CC1CCCC1 ZINC000352504600 286391250 /nfs/dbraw/zinc/39/12/50/286391250.db2.gz SANJSXCIHFSPAG-UHFFFAOYSA-N 1 3 314.477 2.957 20 0 DFADHO Cn1c2ccccc2nc1CC[N@H+](CCCN)CC1CCCC1 ZINC000352504600 286391251 /nfs/dbraw/zinc/39/12/51/286391251.db2.gz SANJSXCIHFSPAG-UHFFFAOYSA-N 1 3 314.477 2.957 20 0 DFADHO Cn1c2ccccc2nc1CC[N@@H+](CCCN)CC1CCCC1 ZINC000352504600 286391252 /nfs/dbraw/zinc/39/12/52/286391252.db2.gz SANJSXCIHFSPAG-UHFFFAOYSA-N 1 3 314.477 2.957 20 0 DFADHO CSC1(CNCc2cn3cc(C)ccc3n2)CC[NH+](C)CC1 ZINC000353212763 286580981 /nfs/dbraw/zinc/58/09/81/286580981.db2.gz RNZFKBZOBCAFGA-UHFFFAOYSA-N 1 3 318.490 2.560 20 0 DFADHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H](C)[C@@H](N)c2ccccc2)cc1 ZINC000429512575 296747598 /nfs/dbraw/zinc/74/75/98/296747598.db2.gz ZGNNNIHJZQEBDC-SUNYJGFJSA-N 1 3 311.429 2.659 20 0 DFADHO CC[C@H](O)CN1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000185310338 158052959 /nfs/dbraw/zinc/05/29/59/158052959.db2.gz SKILEZHFDHLYHG-INIZCTEOSA-N 1 3 313.445 2.745 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](C)Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000246939814 158106820 /nfs/dbraw/zinc/10/68/20/158106820.db2.gz GUVLYRJWRXDJIL-VKJFTORMSA-N 1 3 306.450 2.782 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](C)Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000246939814 158106826 /nfs/dbraw/zinc/10/68/26/158106826.db2.gz GUVLYRJWRXDJIL-VKJFTORMSA-N 1 3 306.450 2.782 20 0 DFADHO CCCNC(=O)c1cccc(C[NH2+][C@H]2CCN(CC)C[C@H]2C)c1 ZINC000246970068 158109797 /nfs/dbraw/zinc/10/97/97/158109797.db2.gz JAWOTQAROGZZSE-QAPCUYQASA-N 1 3 317.477 2.646 20 0 DFADHO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000247944578 158153717 /nfs/dbraw/zinc/15/37/17/158153717.db2.gz DKPBXZSLYSOBQP-HDMKZQKVSA-N 1 3 308.466 2.685 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc(OCCN(C)C)cc1 ZINC000248130055 158161511 /nfs/dbraw/zinc/16/15/11/158161511.db2.gz OIKDPYJRFPBDAX-LZLYRXPVSA-N 1 3 320.477 2.829 20 0 DFADHO CN1CCC[C@H]2C[N@H+](CCCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000248435403 158176362 /nfs/dbraw/zinc/17/63/62/158176362.db2.gz ACUPIHGVBNNMEG-HOTGVXAUSA-N 1 3 310.482 2.915 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](CCCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000248435403 158176366 /nfs/dbraw/zinc/17/63/66/158176366.db2.gz ACUPIHGVBNNMEG-HOTGVXAUSA-N 1 3 310.482 2.915 20 0 DFADHO O[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000248569671 158184638 /nfs/dbraw/zinc/18/46/38/158184638.db2.gz LTJZAKCUCRPPCO-PMACEKPBSA-N 1 3 316.489 2.788 20 0 DFADHO O[C@@H](CCc1ccccc1)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000248569671 158184641 /nfs/dbraw/zinc/18/46/41/158184641.db2.gz LTJZAKCUCRPPCO-PMACEKPBSA-N 1 3 316.489 2.788 20 0 DFADHO COc1ccsc1[C@H](C)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000248654254 158194881 /nfs/dbraw/zinc/19/48/81/158194881.db2.gz ZIVQJTXAKVPTCM-KBPBESRZSA-N 1 3 312.479 2.644 20 0 DFADHO COc1ccsc1[C@H](C)NCCCC[N@H+]1CCC[C@H]1CO ZINC000248654254 158194884 /nfs/dbraw/zinc/19/48/84/158194884.db2.gz ZIVQJTXAKVPTCM-KBPBESRZSA-N 1 3 312.479 2.644 20 0 DFADHO OCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248819673 158203000 /nfs/dbraw/zinc/20/30/00/158203000.db2.gz WIJMHSOQMFLVGN-IPMKNSEASA-N 1 3 302.462 2.649 20 0 DFADHO C[C@H](c1ccccc1F)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000355062933 158264167 /nfs/dbraw/zinc/26/41/67/158264167.db2.gz HSWFKBOSYNPGKT-JKSUJKDBSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@H](c1ccccc1F)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000355062933 158264169 /nfs/dbraw/zinc/26/41/69/158264169.db2.gz HSWFKBOSYNPGKT-JKSUJKDBSA-N 1 3 319.468 2.987 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccccc1CCN(C)C ZINC000356873535 158318911 /nfs/dbraw/zinc/31/89/11/158318911.db2.gz RITLVRVXITZQIL-KRWDZBQOSA-N 1 3 305.466 2.896 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000358670746 158397546 /nfs/dbraw/zinc/39/75/46/158397546.db2.gz WVOGERNTSWJGKM-ZHALLVOQSA-N 1 3 303.494 2.969 20 0 DFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@](C)(O)C1 ZINC000129518727 196054837 /nfs/dbraw/zinc/05/48/37/196054837.db2.gz HHHRPXIJLDNUBG-IBGZPJMESA-N 1 3 304.478 2.991 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@](C)(O)C1 ZINC000129518727 196054839 /nfs/dbraw/zinc/05/48/39/196054839.db2.gz HHHRPXIJLDNUBG-IBGZPJMESA-N 1 3 304.478 2.991 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)N(C)C1CC1 ZINC000130875193 196119088 /nfs/dbraw/zinc/11/90/88/196119088.db2.gz ZFTVOFNEDCBLPB-HOTGVXAUSA-N 1 3 319.493 2.760 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)N(C)C ZINC000131605455 196183761 /nfs/dbraw/zinc/18/37/61/196183761.db2.gz PGSBRMBXXDZTPM-ROUUACIJSA-N 1 3 323.525 2.543 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000133094823 196310731 /nfs/dbraw/zinc/31/07/31/196310731.db2.gz BGNPDPZSAWFFFF-HZPDHXFCSA-N 1 3 318.461 2.847 20 0 DFADHO C[C@@H]1C[C@@H](NC[C@@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000134138967 196365112 /nfs/dbraw/zinc/36/51/12/196365112.db2.gz QMLLMNWKHNCOEB-PMPSAXMXSA-N 1 3 307.507 2.957 20 0 DFADHO C[C@@H]1C[C@@H](NC[C@@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000134138967 196365113 /nfs/dbraw/zinc/36/51/13/196365113.db2.gz QMLLMNWKHNCOEB-PMPSAXMXSA-N 1 3 307.507 2.957 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)CCN1C ZINC000134138967 196365114 /nfs/dbraw/zinc/36/51/14/196365114.db2.gz QMLLMNWKHNCOEB-PMPSAXMXSA-N 1 3 307.507 2.957 20 0 DFADHO c1cc(-c2ccc(CNCC3CC[NH+](C4CC4)CC3)o2)n[nH]1 ZINC000433338061 296908163 /nfs/dbraw/zinc/90/81/63/296908163.db2.gz UJPVLUWFVDAOQE-UHFFFAOYSA-N 1 3 300.406 2.634 20 0 DFADHO NCc1cccc(NC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000667727729 543668121 /nfs/dbraw/zinc/66/81/21/543668121.db2.gz HOBYUWIZBLTPIJ-UHFFFAOYSA-N 1 3 304.438 2.579 20 0 DFADHO CN1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccccc1 ZINC000667734968 543670036 /nfs/dbraw/zinc/67/00/36/543670036.db2.gz CUIHWKRWZVHDSP-QZTJIDSGSA-N 1 3 324.428 2.712 20 0 DFADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000667756375 543673276 /nfs/dbraw/zinc/67/32/76/543673276.db2.gz TVWNDCBAPTYDBI-YZGWKJHDSA-N 1 3 314.473 2.922 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668172856 543759022 /nfs/dbraw/zinc/75/90/22/543759022.db2.gz VFBGTFINUUTSBP-AYOQOUSVSA-N 1 3 318.461 2.626 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668172856 543759023 /nfs/dbraw/zinc/75/90/23/543759023.db2.gz VFBGTFINUUTSBP-AYOQOUSVSA-N 1 3 318.461 2.626 20 0 DFADHO C[NH+](C)CCC[C@@H]1CN(C[C@H]2C[C@H]2c2ccccc2)CCO1 ZINC000668785857 543867880 /nfs/dbraw/zinc/86/78/80/543867880.db2.gz ZIGLXGSDYJAWQA-QRVBRYPASA-N 1 3 302.462 2.833 20 0 DFADHO COCC1CCC([NH2+]Cc2ccccc2OCCN(C)C)CC1 ZINC000296595438 226029990 /nfs/dbraw/zinc/02/99/90/226029990.db2.gz XZRWYNNOANTIJM-UHFFFAOYSA-N 1 3 320.477 2.922 20 0 DFADHO CO[C@H](Cc1ccccc1)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000296673781 226108915 /nfs/dbraw/zinc/10/89/15/226108915.db2.gz HGSLHYAVCSQGKB-RTBURBONSA-N 1 3 302.462 2.662 20 0 DFADHO CO[C@H](Cc1ccccc1)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000296673781 226108919 /nfs/dbraw/zinc/10/89/19/226108919.db2.gz HGSLHYAVCSQGKB-RTBURBONSA-N 1 3 302.462 2.662 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000671309027 544067122 /nfs/dbraw/zinc/06/71/22/544067122.db2.gz GDUPGUBRDSBKKK-RTBURBONSA-N 1 3 318.461 2.770 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000671309027 544067125 /nfs/dbraw/zinc/06/71/25/544067125.db2.gz GDUPGUBRDSBKKK-RTBURBONSA-N 1 3 318.461 2.770 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671750353 544106479 /nfs/dbraw/zinc/10/64/79/544106479.db2.gz SQJDRIMKCUPUQC-JSGCOSHPSA-N 1 3 321.421 2.541 20 0 DFADHO CCC[C@@]1([NH2+]Cc2ccc(OCCN(C)C)cc2)CCOC1 ZINC000671726615 544103203 /nfs/dbraw/zinc/10/32/03/544103203.db2.gz ZDDQORFZNDSDIT-GOSISDBHSA-N 1 3 306.450 2.676 20 0 DFADHO CO[C@@]1(C)C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1(C)C ZINC000297334677 227024138 /nfs/dbraw/zinc/02/41/38/227024138.db2.gz DAUQDWSZWTWKSN-WMZOPIPTSA-N 1 3 303.450 2.844 20 0 DFADHO CO[C@]1(C)C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1(C)C ZINC000297334674 227026491 /nfs/dbraw/zinc/02/64/91/227026491.db2.gz DAUQDWSZWTWKSN-FUHWJXTLSA-N 1 3 303.450 2.844 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cccc(N(C)C)c2)C1 ZINC000673757103 544196299 /nfs/dbraw/zinc/19/62/99/544196299.db2.gz MISYAAXSDOECJT-LJQANCHMSA-N 1 3 319.493 2.685 20 0 DFADHO CC[C@H](CN1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674094527 544220074 /nfs/dbraw/zinc/22/00/74/544220074.db2.gz OXMCEDLOPLXDJU-IAGOWNOFSA-N 1 3 321.509 2.632 20 0 DFADHO CC[C@H](CN1CCCC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674094527 544220077 /nfs/dbraw/zinc/22/00/77/544220077.db2.gz OXMCEDLOPLXDJU-IAGOWNOFSA-N 1 3 321.509 2.632 20 0 DFADHO CCN1CCC([NH2+]Cc2ccnn2CCc2ccccc2)CC1 ZINC000675930084 544345182 /nfs/dbraw/zinc/34/51/82/544345182.db2.gz FKLNJISFXLNMTR-UHFFFAOYSA-N 1 3 312.461 2.700 20 0 DFADHO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000676571142 544386192 /nfs/dbraw/zinc/38/61/92/544386192.db2.gz AMIGIJKMGUNWDU-FUHWJXTLSA-N 1 3 306.450 2.674 20 0 DFADHO COc1ccccc1OCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677242384 544458265 /nfs/dbraw/zinc/45/82/65/544458265.db2.gz ZMNZEIIKKAAOJE-HZPDHXFCSA-N 1 3 304.434 2.681 20 0 DFADHO COc1ccccc1OCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677242384 544458267 /nfs/dbraw/zinc/45/82/67/544458267.db2.gz ZMNZEIIKKAAOJE-HZPDHXFCSA-N 1 3 304.434 2.681 20 0 DFADHO C[C@@H]1C[N@H+](C/C=C\c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000677904575 544563209 /nfs/dbraw/zinc/56/32/09/544563209.db2.gz UWYJDVFHZKYBDF-UVTBNNFDSA-N 1 3 313.489 2.658 20 0 DFADHO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000677904575 544563214 /nfs/dbraw/zinc/56/32/14/544563214.db2.gz UWYJDVFHZKYBDF-UVTBNNFDSA-N 1 3 313.489 2.658 20 0 DFADHO CC[C@H](CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000678258767 544634557 /nfs/dbraw/zinc/63/45/57/544634557.db2.gz MQAFYBPPYBCRSO-UYAOXDASSA-N 1 3 315.505 2.892 20 0 DFADHO CC[C@H](CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000678258767 544634558 /nfs/dbraw/zinc/63/45/58/544634558.db2.gz MQAFYBPPYBCRSO-UYAOXDASSA-N 1 3 315.505 2.892 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000678135928 544608275 /nfs/dbraw/zinc/60/82/75/544608275.db2.gz KHFSIDMNLYWCIT-QGZVFWFLSA-N 1 3 318.461 2.628 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000678135928 544608278 /nfs/dbraw/zinc/60/82/78/544608278.db2.gz KHFSIDMNLYWCIT-QGZVFWFLSA-N 1 3 318.461 2.628 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(C)nc2C)CC1 ZINC000678411303 544668692 /nfs/dbraw/zinc/66/86/92/544668692.db2.gz KMVLULRLWXOIHW-KRWDZBQOSA-N 1 3 318.509 2.767 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(C)nc2C)CC1 ZINC000678411304 544669131 /nfs/dbraw/zinc/66/91/31/544669131.db2.gz KMVLULRLWXOIHW-QGZVFWFLSA-N 1 3 318.509 2.767 20 0 DFADHO Cc1cccc(C)c1CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000678722195 544712082 /nfs/dbraw/zinc/71/20/82/544712082.db2.gz YOCRCJWKYAXNET-IBGZPJMESA-N 1 3 315.505 2.904 20 0 DFADHO Cc1cccc(C)c1CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000678722195 544712085 /nfs/dbraw/zinc/71/20/85/544712085.db2.gz YOCRCJWKYAXNET-IBGZPJMESA-N 1 3 315.505 2.904 20 0 DFADHO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000678733789 544714150 /nfs/dbraw/zinc/71/41/50/544714150.db2.gz QNSXPOYRQPIXRI-SJLPKXTDSA-N 1 3 306.450 2.532 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(F)cc1 ZINC000678957125 544756672 /nfs/dbraw/zinc/75/66/72/544756672.db2.gz SAAQDPVDHKAKOJ-QAPCUYQASA-N 1 3 319.468 2.687 20 0 DFADHO C[C@H]1C[C@@H](Nc2cccc(CN3CCC(O)CC3)c2)CC[N@@H+]1C ZINC000679053041 544775455 /nfs/dbraw/zinc/77/54/55/544775455.db2.gz XPZBIWLJSQHXKX-YJBOKZPZSA-N 1 3 317.477 2.538 20 0 DFADHO C[C@H]1C[C@@H](Nc2cccc(CN3CCC(O)CC3)c2)CC[N@H+]1C ZINC000679053041 544775460 /nfs/dbraw/zinc/77/54/60/544775460.db2.gz XPZBIWLJSQHXKX-YJBOKZPZSA-N 1 3 317.477 2.538 20 0 DFADHO CC(C)(O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000679721599 544905785 /nfs/dbraw/zinc/90/57/85/544905785.db2.gz PFUUYVPDIUGFAX-OKZBNKHCSA-N 1 3 302.462 2.648 20 0 DFADHO CC(C)N1CCC(O)(C[NH2+]Cc2cccc3cnccc32)CC1 ZINC000679931886 544928503 /nfs/dbraw/zinc/92/85/03/544928503.db2.gz TVPZRJDPYNDSKF-UHFFFAOYSA-N 1 3 313.445 2.560 20 0 DFADHO COc1ccc2c(c1)CC[C@H](N[C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000680333500 544991776 /nfs/dbraw/zinc/99/17/76/544991776.db2.gz CSUGFWDWAUEKRU-BZSNNMDCSA-N 1 3 300.446 2.769 20 0 DFADHO COc1ccc2c(c1)CC[C@H](N[C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000680333500 544991779 /nfs/dbraw/zinc/99/17/79/544991779.db2.gz CSUGFWDWAUEKRU-BZSNNMDCSA-N 1 3 300.446 2.769 20 0 DFADHO COc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCN3CCC[C@H]3C1)C2 ZINC000680333500 544991784 /nfs/dbraw/zinc/99/17/84/544991784.db2.gz CSUGFWDWAUEKRU-BZSNNMDCSA-N 1 3 300.446 2.769 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(F)cc2F)C[C@H](C)O1 ZINC000062253068 425900118 /nfs/dbraw/zinc/90/01/18/425900118.db2.gz MXSMDKVVEOOGEA-KBPBESRZSA-N 1 3 312.404 2.944 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000067453052 425910688 /nfs/dbraw/zinc/91/06/88/425910688.db2.gz AOPOLVNEQGYMJH-OKILXGFUSA-N 1 3 312.404 2.944 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000155609425 425923457 /nfs/dbraw/zinc/92/34/57/425923457.db2.gz FDCYVPQANKLEAT-ZIAGYGMSSA-N 1 3 311.420 2.641 20 0 DFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH+]1CCC(C)CC1 ZINC000155992151 425931533 /nfs/dbraw/zinc/93/15/33/425931533.db2.gz HHZWMTQXKHANFA-INIZCTEOSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)[NH+](CCNC(=O)c1ccc(CN(C)C)cc1)C(C)C ZINC000069179398 425931765 /nfs/dbraw/zinc/93/17/65/425931765.db2.gz MLBVMPGRIZJYDE-UHFFFAOYSA-N 1 3 305.466 2.597 20 0 DFADHO CC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC)N(C)C ZINC000124673167 425932492 /nfs/dbraw/zinc/93/24/92/425932492.db2.gz RYSQQWZDVDBHSP-SJORKVTESA-N 1 3 305.466 2.526 20 0 DFADHO CN1CCC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000044533913 425856855 /nfs/dbraw/zinc/85/68/55/425856855.db2.gz CFHKEHRDUIRNFJ-LBPRGKRZSA-N 1 3 310.825 2.543 20 0 DFADHO CN(C)CCN(C(=O)C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000195386260 268133993 /nfs/dbraw/zinc/13/39/93/268133993.db2.gz CGCXFBLFWXXIKQ-UHFFFAOYSA-N 1 3 321.509 2.584 20 0 DFADHO Fc1ccc(Br)cc1CNCC[C@@H]1CC[NH2+]C1 ZINC000259107867 268168713 /nfs/dbraw/zinc/16/87/13/268168713.db2.gz UYZVLCDVHPAXIL-JTQLQIEISA-N 1 3 301.203 2.677 20 0 DFADHO COc1ccc(CN2CCC(CC[NH3+])CC2)cc1OC(F)F ZINC000315329749 268343142 /nfs/dbraw/zinc/34/31/42/268343142.db2.gz CZCOFACSYHGPLJ-UHFFFAOYSA-N 1 3 314.376 2.857 20 0 DFADHO Fc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)cc1 ZINC000323867066 268350337 /nfs/dbraw/zinc/35/03/37/268350337.db2.gz KSEDFMZDODRBSL-GASCZTMLSA-N 1 3 315.392 2.912 20 0 DFADHO CCc1cc(N2CCN(C[C@@H](O)CC)CC2)c2ccccc2[nH+]1 ZINC000125268295 425962700 /nfs/dbraw/zinc/96/27/00/425962700.db2.gz LAPYEORUPTZOAT-INIZCTEOSA-N 1 3 313.445 2.690 20 0 DFADHO CC(=O)NC1CCC([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000161857184 426042416 /nfs/dbraw/zinc/04/24/16/426042416.db2.gz HNXSGCRFZLOQMR-DVHLICQRSA-N 1 3 321.509 2.676 20 0 DFADHO C(CN1CCCC1)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000162182288 426055703 /nfs/dbraw/zinc/05/57/03/426055703.db2.gz PPDJGVCVEJNTJH-GOSISDBHSA-N 1 3 310.482 2.522 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000075216526 426067968 /nfs/dbraw/zinc/06/79/68/426067968.db2.gz ZNJLBHPJLMIMAB-KRWDZBQOSA-N 1 3 317.477 2.552 20 0 DFADHO CC(C)NC(=O)Nc1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000128022506 426098010 /nfs/dbraw/zinc/09/80/10/426098010.db2.gz FTNOUPSNVMSOQX-PBHICJAKSA-N 1 3 318.465 2.646 20 0 DFADHO CC(C)NC(=O)Nc1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000128022506 426098014 /nfs/dbraw/zinc/09/80/14/426098014.db2.gz FTNOUPSNVMSOQX-PBHICJAKSA-N 1 3 318.465 2.646 20 0 DFADHO C[C@H](CCc1ccccc1F)[NH2+]CCCN1CCCN(C)CC1 ZINC000128401393 426115266 /nfs/dbraw/zinc/11/52/66/426115266.db2.gz IGFFCQLLNFCXPN-QGZVFWFLSA-N 1 3 321.484 2.764 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCCOc2ccccc21 ZINC000166015814 426125401 /nfs/dbraw/zinc/12/54/01/426125401.db2.gz OYDCOFAXYKVELU-WBVHZDCISA-N 1 3 306.450 2.847 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000166676319 426129038 /nfs/dbraw/zinc/12/90/38/426129038.db2.gz NVVZUYBWHZJXQA-SFHVURJKSA-N 1 3 317.477 2.662 20 0 DFADHO C[C@@H](C(=O)N[C@H](CN(C)C)c1ccccc1)[NH+]1CCCCCC1 ZINC000114227387 426129343 /nfs/dbraw/zinc/12/93/43/426129343.db2.gz LEOBCSVKPRILAK-FUHWJXTLSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000128720062 426130516 /nfs/dbraw/zinc/13/05/16/426130516.db2.gz ATSNCFSQZYBDEL-HNAYVOBHSA-N 1 3 319.468 2.676 20 0 DFADHO C[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(OCCN(C)C)cc1 ZINC000167019604 426130755 /nfs/dbraw/zinc/13/07/55/426130755.db2.gz DHAALFZRNBRDDG-YJBOKZPZSA-N 1 3 306.450 2.847 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN(C)C2CCC(C)(C)CC2)CC1 ZINC000127631975 426078114 /nfs/dbraw/zinc/07/81/14/426078114.db2.gz AIIKUCMFVGMRJK-UHFFFAOYSA-N 1 3 323.525 2.876 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130482006 426160000 /nfs/dbraw/zinc/16/00/00/426160000.db2.gz YAROHGIQCMSESF-PMACEKPBSA-N 1 3 315.505 2.940 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000132333472 426168475 /nfs/dbraw/zinc/16/84/75/426168475.db2.gz OLHYFVNNCHZFOC-APWZRJJASA-N 1 3 301.478 2.581 20 0 DFADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000133302513 426172664 /nfs/dbraw/zinc/17/26/64/426172664.db2.gz AMYDXYHIALEMNV-KBMXLJTQSA-N 1 3 304.434 2.981 20 0 DFADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000133302513 426172666 /nfs/dbraw/zinc/17/26/66/426172666.db2.gz AMYDXYHIALEMNV-KBMXLJTQSA-N 1 3 304.434 2.981 20 0 DFADHO CC[NH+]1CCN([C@@H](C)CNc2ccnc3cc(F)ccc32)CC1 ZINC000084789279 426245134 /nfs/dbraw/zinc/24/51/34/426245134.db2.gz NYNLFDRXTPUEGS-AWEZNQCLSA-N 1 3 316.424 2.812 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000151042367 426274508 /nfs/dbraw/zinc/27/45/08/426274508.db2.gz AFPGZNNXZCTOLM-HLLBOEOZSA-N 1 3 302.466 2.500 20 0 DFADHO Cc1cccc2c1CC[C@@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150953037 426268764 /nfs/dbraw/zinc/26/87/64/426268764.db2.gz YQNOKYUMKLGYGN-IBGZPJMESA-N 1 3 301.478 2.598 20 0 DFADHO Cc1cccc2c1CC[C@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150953078 426269227 /nfs/dbraw/zinc/26/92/27/426269227.db2.gz YQNOKYUMKLGYGN-LJQANCHMSA-N 1 3 301.478 2.598 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000150991496 426270915 /nfs/dbraw/zinc/27/09/15/426270915.db2.gz NBAPRYLIWPXMNU-LJQANCHMSA-N 1 3 301.478 2.680 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000150983152 426271440 /nfs/dbraw/zinc/27/14/40/426271440.db2.gz BKSQTVBNRXRBTI-SFHVURJKSA-N 1 3 317.477 2.516 20 0 DFADHO CC[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OC)cc1 ZINC000151366257 426291819 /nfs/dbraw/zinc/29/18/19/426291819.db2.gz JIVIYJGLLVRLNJ-SFHVURJKSA-N 1 3 306.450 2.583 20 0 DFADHO CC1CCC(N2CCC([N@H+](C)CC[C@H]3CCOC3=O)CC2)CC1 ZINC000120381770 426310031 /nfs/dbraw/zinc/31/00/31/426310031.db2.gz LIJZPSJPSNPMNH-PQUAAJSLSA-N 1 3 322.493 2.915 20 0 DFADHO CC1CCC(N2CCC([N@@H+](C)CC[C@H]3CCOC3=O)CC2)CC1 ZINC000120381770 426310033 /nfs/dbraw/zinc/31/00/33/426310033.db2.gz LIJZPSJPSNPMNH-PQUAAJSLSA-N 1 3 322.493 2.915 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1cc(F)cc2c1OCOC2 ZINC000120697131 426313207 /nfs/dbraw/zinc/31/32/07/426313207.db2.gz QYYAUMOBJUNJOP-IIYDPXPESA-N 1 3 322.424 2.553 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1cc(F)cc2c1OCOC2 ZINC000120697131 426313210 /nfs/dbraw/zinc/31/32/10/426313210.db2.gz QYYAUMOBJUNJOP-IIYDPXPESA-N 1 3 322.424 2.553 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCN(C)Cc1ccccc1 ZINC000121233779 426327692 /nfs/dbraw/zinc/32/76/92/426327692.db2.gz QNYGDPVGWWAIBM-ZIFCJYIRSA-N 1 3 303.494 2.827 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCN(C)Cc1ccccc1 ZINC000121233636 426328106 /nfs/dbraw/zinc/32/81/06/426328106.db2.gz QNYGDPVGWWAIBM-ZHALLVOQSA-N 1 3 303.494 2.827 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000121234127 426328331 /nfs/dbraw/zinc/32/83/31/426328331.db2.gz WOVZUGXDNJEFTM-UWVAXJGDSA-N 1 3 315.505 2.969 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000090585190 426329030 /nfs/dbraw/zinc/32/90/30/426329030.db2.gz NVRRXPYLBQOPSF-IRXDYDNUSA-N 1 3 311.514 2.591 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585190 426329034 /nfs/dbraw/zinc/32/90/34/426329034.db2.gz NVRRXPYLBQOPSF-IRXDYDNUSA-N 1 3 311.514 2.591 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000090585190 426329036 /nfs/dbraw/zinc/32/90/36/426329036.db2.gz NVRRXPYLBQOPSF-IRXDYDNUSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@H]1C[C@H](NCCc2nc(C(F)(F)F)cs2)CC[N@@H+]1C ZINC000152192838 426331091 /nfs/dbraw/zinc/33/10/91/426331091.db2.gz GEFFGBOPBIWHRA-VHSXEESVSA-N 1 3 307.385 2.777 20 0 DFADHO C[C@H]1C[C@H](NCCc2nc(C(F)(F)F)cs2)CC[N@H+]1C ZINC000152192838 426331096 /nfs/dbraw/zinc/33/10/96/426331096.db2.gz GEFFGBOPBIWHRA-VHSXEESVSA-N 1 3 307.385 2.777 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCc1nc(C(F)(F)F)cs1 ZINC000152212507 426332259 /nfs/dbraw/zinc/33/22/59/426332259.db2.gz GALIRLNRTSAZFC-ZJUUUORDSA-N 1 3 307.385 2.634 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCc1nc(C(F)(F)F)cs1 ZINC000152212507 426332261 /nfs/dbraw/zinc/33/22/61/426332261.db2.gz GALIRLNRTSAZFC-ZJUUUORDSA-N 1 3 307.385 2.634 20 0 DFADHO CN(CC1=CCCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119327713 426279313 /nfs/dbraw/zinc/27/93/13/426279313.db2.gz HLFQUFQELYBVEW-UHFFFAOYSA-N 1 3 300.446 2.930 20 0 DFADHO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000151183972 426282434 /nfs/dbraw/zinc/28/24/34/426282434.db2.gz PQZVCUXJTARPDQ-DOTOQJQBSA-N 1 3 308.466 2.685 20 0 DFADHO CC(C)[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000122830194 426397189 /nfs/dbraw/zinc/39/71/89/426397189.db2.gz VZPLBBDPJQJQSF-KKUMJFAQSA-N 1 3 313.486 2.608 20 0 DFADHO CC(C)[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000122830194 426397191 /nfs/dbraw/zinc/39/71/91/426397191.db2.gz VZPLBBDPJQJQSF-KKUMJFAQSA-N 1 3 313.486 2.608 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000153688737 426400413 /nfs/dbraw/zinc/40/04/13/426400413.db2.gz UJYCAYGLJDXIBS-CJNGLKHVSA-N 1 3 316.424 2.892 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000153688737 426400415 /nfs/dbraw/zinc/40/04/15/426400415.db2.gz UJYCAYGLJDXIBS-CJNGLKHVSA-N 1 3 316.424 2.892 20 0 DFADHO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1F ZINC000153688737 426400419 /nfs/dbraw/zinc/40/04/19/426400419.db2.gz UJYCAYGLJDXIBS-CJNGLKHVSA-N 1 3 316.424 2.892 20 0 DFADHO CN1CCC[C@H](C[N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000152378594 426341830 /nfs/dbraw/zinc/34/18/30/426341830.db2.gz PBCQJWULQIKSLQ-ZDUSSCGKSA-N 1 3 324.852 2.885 20 0 DFADHO CN1CCC[C@H](C[N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000152378594 426341832 /nfs/dbraw/zinc/34/18/32/426341832.db2.gz PBCQJWULQIKSLQ-ZDUSSCGKSA-N 1 3 324.852 2.885 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000152596577 426348197 /nfs/dbraw/zinc/34/81/97/426348197.db2.gz PQKLVWATHFSVCJ-GPMSIDNRSA-N 1 3 312.461 2.750 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2c(C)noc2C)CC1 ZINC000122196741 426363730 /nfs/dbraw/zinc/36/37/30/426363730.db2.gz OBGRUCZQNGXGAG-UHFFFAOYSA-N 1 3 323.481 2.862 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2c(C)noc2C)CC1 ZINC000122196741 426363733 /nfs/dbraw/zinc/36/37/33/426363733.db2.gz OBGRUCZQNGXGAG-UHFFFAOYSA-N 1 3 323.481 2.862 20 0 DFADHO CCC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(C)C ZINC000122322893 426369279 /nfs/dbraw/zinc/36/92/79/426369279.db2.gz YNFJQBUXWWSMFH-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO CC(=O)Oc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000123069206 426412804 /nfs/dbraw/zinc/41/28/04/426412804.db2.gz BNVVCGIBRMDLDA-UHFFFAOYSA-N 1 3 316.445 2.920 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](CC(C)C)c2ccccn2)CC1 ZINC000154227036 426431550 /nfs/dbraw/zinc/43/15/50/426431550.db2.gz GRMBAOBIEBYMKH-LJQANCHMSA-N 1 3 318.509 2.786 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000154262153 426433119 /nfs/dbraw/zinc/43/31/19/426433119.db2.gz NSGTWKDOMFAMRL-GOSISDBHSA-N 1 3 303.494 2.982 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000154449522 426441763 /nfs/dbraw/zinc/44/17/63/426441763.db2.gz FWOJTNVCBGNZNO-IBGZPJMESA-N 1 3 319.468 2.820 20 0 DFADHO C[C@@H](CCc1ccccc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000177302850 426465455 /nfs/dbraw/zinc/46/54/55/426465455.db2.gz WEDBYGGZPJOTQZ-SFHVURJKSA-N 1 3 303.494 2.625 20 0 DFADHO C[NH+]1CCC(NCCOc2ccccc2C(F)(F)F)CC1 ZINC000177314624 426467427 /nfs/dbraw/zinc/46/74/27/426467427.db2.gz DJOJGYQQGXOKSV-UHFFFAOYSA-N 1 3 302.340 2.768 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000124152563 426472598 /nfs/dbraw/zinc/47/25/98/426472598.db2.gz VTSODIWNQJSNBT-LSDHHAIUSA-N 1 3 304.434 2.840 20 0 DFADHO CCN(CC)CC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272365336 426507370 /nfs/dbraw/zinc/50/73/70/426507370.db2.gz OBBSNNPJHVJEHH-MJGOQNOKSA-N 1 3 303.494 2.828 20 0 DFADHO CCSCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177508111 426490934 /nfs/dbraw/zinc/49/09/34/426490934.db2.gz NXLWLYRZXAIVMR-HZPDHXFCSA-N 1 3 314.539 2.951 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CCN1C ZINC000195135920 426501688 /nfs/dbraw/zinc/50/16/88/426501688.db2.gz XQICSZKVXIJUAK-NZSAHSFTSA-N 1 3 301.478 2.581 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C12CCOCC2 ZINC000186321559 426503645 /nfs/dbraw/zinc/50/36/45/426503645.db2.gz TXBQMSOKKWMWIX-OKZBNKHCSA-N 1 3 324.509 2.671 20 0 DFADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1cn[nH]c1 ZINC000272602691 426569929 /nfs/dbraw/zinc/56/99/29/426569929.db2.gz URUICGMQZVVDJR-RGIVZKHGSA-N 1 3 310.445 2.971 20 0 DFADHO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000178116581 426574458 /nfs/dbraw/zinc/57/44/58/426574458.db2.gz OYQZLRNZCIGZMT-CRAIPNDOSA-N 1 3 308.466 2.685 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCN(C)CC2)c2ccccc21 ZINC000289102573 426584082 /nfs/dbraw/zinc/58/40/82/426584082.db2.gz CFYAMWIOEXRXSI-VQIMIIECSA-N 1 3 301.478 2.852 20 0 DFADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000178256298 426594863 /nfs/dbraw/zinc/59/48/63/426594863.db2.gz NJZAHRNGLFGICT-JLCFBVMHSA-N 1 3 320.502 2.949 20 0 DFADHO Cc1cc(N2CCC([N@H+](C)CCCO)CC2)c2ccccc2n1 ZINC000265222932 426599446 /nfs/dbraw/zinc/59/94/46/426599446.db2.gz OUWMXKQLWJNKRE-UHFFFAOYSA-N 1 3 313.445 2.826 20 0 DFADHO Cc1cc(N2CCC([N@@H+](C)CCCO)CC2)c2ccccc2n1 ZINC000265222932 426599448 /nfs/dbraw/zinc/59/94/48/426599448.db2.gz OUWMXKQLWJNKRE-UHFFFAOYSA-N 1 3 313.445 2.826 20 0 DFADHO COc1cc(C)c([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1C ZINC000273162146 426604393 /nfs/dbraw/zinc/60/43/93/426604393.db2.gz KQXWHKMXAODTQA-INIZCTEOSA-N 1 3 320.477 2.809 20 0 DFADHO CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000272574355 426562504 /nfs/dbraw/zinc/56/25/04/426562504.db2.gz PNAPAPPLOAJKHT-NCXUSEDFSA-N 1 3 302.462 2.504 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000273269810 426632141 /nfs/dbraw/zinc/63/21/41/426632141.db2.gz UYZQODWYRIVPRS-HNNXBMFYSA-N 1 3 323.481 2.645 20 0 DFADHO CN(C)CC[N@H+](C)CCCN(C)Cc1ccc2ccccc2n1 ZINC000289363384 426635754 /nfs/dbraw/zinc/63/57/54/426635754.db2.gz HODHUUADEVQHEO-UHFFFAOYSA-N 1 3 314.477 2.550 20 0 DFADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1ccc2ccccc2n1 ZINC000289363384 426635760 /nfs/dbraw/zinc/63/57/60/426635760.db2.gz HODHUUADEVQHEO-UHFFFAOYSA-N 1 3 314.477 2.550 20 0 DFADHO CCCOc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000178522983 426647006 /nfs/dbraw/zinc/64/70/06/426647006.db2.gz PLDXUJUAVAMHSD-INIZCTEOSA-N 1 3 320.477 2.973 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000236910943 426686906 /nfs/dbraw/zinc/68/69/06/426686906.db2.gz XMZQTLRIQHYXSU-CGTJXYLNSA-N 1 3 317.477 2.703 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000236910943 426686911 /nfs/dbraw/zinc/68/69/11/426686911.db2.gz XMZQTLRIQHYXSU-CGTJXYLNSA-N 1 3 317.477 2.703 20 0 DFADHO CN1CCCN(CCC[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280820485 426663468 /nfs/dbraw/zinc/66/34/68/426663468.db2.gz KAARZWNUMPHQIY-IBGZPJMESA-N 1 3 316.493 2.540 20 0 DFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000236636760 426668866 /nfs/dbraw/zinc/66/88/66/426668866.db2.gz FMIJJUZNSQLZEY-GOSISDBHSA-N 1 3 317.477 2.728 20 0 DFADHO C[C@@H](CNC[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000236707216 426678918 /nfs/dbraw/zinc/67/89/18/426678918.db2.gz MTCPDAVQBAPUGD-YJBOKZPZSA-N 1 3 308.441 2.612 20 0 DFADHO CC[C@H](COC)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000178699168 426679483 /nfs/dbraw/zinc/67/94/83/426679483.db2.gz VVANBWDPGCNSSE-GOSISDBHSA-N 1 3 319.493 2.603 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C[C@@H](O)CCc2ccccc2)CC1 ZINC000273260699 426630415 /nfs/dbraw/zinc/63/04/15/426630415.db2.gz XXAAHVRPGCUSFD-IBGZPJMESA-N 1 3 304.478 2.785 20 0 DFADHO C[C@@H]1C[C@H](NCC2=CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000187741778 426688716 /nfs/dbraw/zinc/68/87/16/426688716.db2.gz QEPRSXNKBZYTJX-GDBMZVCRSA-N 1 3 323.481 2.626 20 0 DFADHO C[C@@H]1C[C@H](NCC2=CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000187741778 426688720 /nfs/dbraw/zinc/68/87/20/426688720.db2.gz QEPRSXNKBZYTJX-GDBMZVCRSA-N 1 3 323.481 2.626 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000178829442 426703449 /nfs/dbraw/zinc/70/34/49/426703449.db2.gz AQGHLZZXSGASOA-SOLBZPMBSA-N 1 3 315.461 2.916 20 0 DFADHO [NH3+]Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000237961624 426698325 /nfs/dbraw/zinc/69/83/25/426698325.db2.gz LVZSOGAQMVJQHE-UHFFFAOYSA-N 1 3 323.440 2.540 20 0 DFADHO CC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)OC ZINC000290245502 426724297 /nfs/dbraw/zinc/72/42/97/426724297.db2.gz SWSUYVCDZLMQCQ-ZSYWTGECSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000290245502 426724299 /nfs/dbraw/zinc/72/42/99/426724299.db2.gz SWSUYVCDZLMQCQ-ZSYWTGECSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000290245502 426724302 /nfs/dbraw/zinc/72/43/02/426724302.db2.gz SWSUYVCDZLMQCQ-ZSYWTGECSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)OC ZINC000290245500 426725007 /nfs/dbraw/zinc/72/50/07/426725007.db2.gz SWSUYVCDZLMQCQ-WJFTUGDTSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)OC ZINC000290245500 426725012 /nfs/dbraw/zinc/72/50/12/426725012.db2.gz SWSUYVCDZLMQCQ-WJFTUGDTSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)OC ZINC000290245500 426725015 /nfs/dbraw/zinc/72/50/15/426725015.db2.gz SWSUYVCDZLMQCQ-WJFTUGDTSA-N 1 3 302.462 2.912 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179104497 426752253 /nfs/dbraw/zinc/75/22/53/426752253.db2.gz JHBVOKFXGLXLLS-HNNXBMFYSA-N 1 3 324.900 2.803 20 0 DFADHO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282124905 426834423 /nfs/dbraw/zinc/83/44/23/426834423.db2.gz AZKJWPGZWOBZRL-MAUKXSAKSA-N 1 3 301.478 2.536 20 0 DFADHO COC(C)(C)C[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180170643 426840206 /nfs/dbraw/zinc/84/02/06/426840206.db2.gz VBDSXHNZKJDUCY-BZSNNMDCSA-N 1 3 302.462 2.912 20 0 DFADHO CCc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282145473 426840298 /nfs/dbraw/zinc/84/02/98/426840298.db2.gz CJBVZEHLDOCCRN-MRXNPFEDSA-N 1 3 303.494 2.926 20 0 DFADHO Cc1cc([C@@H](C)NCC2CCN(c3cc[nH+]cc3)CC2)nn1C ZINC000282155437 426841164 /nfs/dbraw/zinc/84/11/64/426841164.db2.gz LKWDQDADKNQJGD-OAHLLOKOSA-N 1 3 313.449 2.691 20 0 DFADHO Cc1ccc(CC[C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282180181 426847223 /nfs/dbraw/zinc/84/72/23/426847223.db2.gz FOFQDLNAPDCUIP-GOSISDBHSA-N 1 3 317.521 2.932 20 0 DFADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563547 426793215 /nfs/dbraw/zinc/79/32/15/426793215.db2.gz SLZXGORMCGBFLE-MOPGFXCFSA-N 1 3 314.473 2.970 20 0 DFADHO CN1CC[C@H]2[C@H](CCC[N@H+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563547 426793219 /nfs/dbraw/zinc/79/32/19/426793219.db2.gz SLZXGORMCGBFLE-MOPGFXCFSA-N 1 3 314.473 2.970 20 0 DFADHO c1ccc(C[N@H+]2CC[C@@H]3CN(C[C@@H]4CCCO4)C[C@H]3C2)cc1 ZINC000309954998 426920285 /nfs/dbraw/zinc/92/02/85/426920285.db2.gz IEZZAPMJLTYDHO-QRVBRYPASA-N 1 3 300.446 2.619 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(C[C@@H]4CCCO4)C[C@H]3C2)cc1 ZINC000309954998 426920287 /nfs/dbraw/zinc/92/02/87/426920287.db2.gz IEZZAPMJLTYDHO-QRVBRYPASA-N 1 3 300.446 2.619 20 0 DFADHO Cn1cc([C@H](NCC2CC[NH+](C)CC2)c2cccc(F)c2)cn1 ZINC000180459438 426860882 /nfs/dbraw/zinc/86/08/82/426860882.db2.gz QLPIULVDGPVTEB-GOSISDBHSA-N 1 3 316.424 2.580 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CCCc3cc(F)ccc32)CC1(C)C ZINC000282267382 426866968 /nfs/dbraw/zinc/86/69/68/426866968.db2.gz KIAUKCVFRJCNLI-SFHVURJKSA-N 1 3 319.468 2.819 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(OCCN(C)C)cc1 ZINC000305106343 426879497 /nfs/dbraw/zinc/87/94/97/426879497.db2.gz DDENMNBBNKOYIB-KVSKMBFKSA-N 1 3 320.477 2.829 20 0 DFADHO CC[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)N(CC)CC ZINC000275643848 426887289 /nfs/dbraw/zinc/88/72/89/426887289.db2.gz MAJQGKOHWHOPAN-KRWDZBQOSA-N 1 3 305.466 2.850 20 0 DFADHO Cc1cc(C)cc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282350002 426888500 /nfs/dbraw/zinc/88/85/00/426888500.db2.gz PEUPBKCLVRRTHC-QGZVFWFLSA-N 1 3 303.494 2.980 20 0 DFADHO C[C@H]1CSC[C@@H]1[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000295299591 426895882 /nfs/dbraw/zinc/89/58/82/426895882.db2.gz XMCOUADCZGZEPE-YOEHRIQHSA-N 1 3 308.491 2.511 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000247068016 426897323 /nfs/dbraw/zinc/89/73/23/426897323.db2.gz ODWDRIZPRKSFIX-WBAXXEDZSA-N 1 3 307.457 2.748 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000247068016 426897331 /nfs/dbraw/zinc/89/73/31/426897331.db2.gz ODWDRIZPRKSFIX-WBAXXEDZSA-N 1 3 307.457 2.748 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000247068016 426897337 /nfs/dbraw/zinc/89/73/37/426897337.db2.gz ODWDRIZPRKSFIX-WBAXXEDZSA-N 1 3 307.457 2.748 20 0 DFADHO c1ccc(CCN2CCC([NH2+]CCCN3CCCC3)CC2)cc1 ZINC000337650313 426900029 /nfs/dbraw/zinc/90/00/29/426900029.db2.gz JSNZDCNHUVIFTM-UHFFFAOYSA-N 1 3 315.505 2.769 20 0 DFADHO CCN1CC[C@H]([NH2+]CCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247189346 426913589 /nfs/dbraw/zinc/91/35/89/426913589.db2.gz VQVPEPVIDAPFJZ-PXNSSMCTSA-N 1 3 315.505 2.755 20 0 DFADHO COc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1OC(F)F ZINC000291676305 426949543 /nfs/dbraw/zinc/94/95/43/426949543.db2.gz HEJUQBSLIQKWGU-LLVKDONJSA-N 1 3 302.365 2.584 20 0 DFADHO CCC[C@H](C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C)N(C)C ZINC000337953386 427056601 /nfs/dbraw/zinc/05/66/01/427056601.db2.gz YTFGUOFMDAHUMP-MSOLQXFVSA-N 1 3 319.493 2.698 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C)nc2C)[C@H](C)C1 ZINC000190002397 426996358 /nfs/dbraw/zinc/99/63/58/426996358.db2.gz QZJSSZYPZJIDIM-DNVCBOLYSA-N 1 3 319.493 2.925 20 0 DFADHO CCCC[C@@H](COC)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000248445958 427001610 /nfs/dbraw/zinc/00/16/10/427001610.db2.gz MTGFCVJDNCJHMM-RBUKOAKNSA-N 1 3 320.477 2.548 20 0 DFADHO CCN(CCC[NH+](C)C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000276243960 427014750 /nfs/dbraw/zinc/01/47/50/427014750.db2.gz PQNDPCLYWSOOJX-UHFFFAOYSA-N 1 3 317.477 2.696 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)N(C)Cc2ccccc2)CCN1C ZINC000248583920 427015470 /nfs/dbraw/zinc/01/54/70/427015470.db2.gz WXGHQJMIFOEYKC-LSTHTHJFSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H]1C[C@@H](N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000182159635 427017932 /nfs/dbraw/zinc/01/79/32/427017932.db2.gz WNPDFAMKCRACET-XYZKALLWSA-N 1 3 310.388 2.867 20 0 DFADHO C[C@H]1C[C@@H](N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000182159635 427017936 /nfs/dbraw/zinc/01/79/36/427017936.db2.gz WNPDFAMKCRACET-XYZKALLWSA-N 1 3 310.388 2.867 20 0 DFADHO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000249063238 427083307 /nfs/dbraw/zinc/08/33/07/427083307.db2.gz PZGQHVQFRBDEEC-DJIMGWMZSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CCO1 ZINC000283825790 427085374 /nfs/dbraw/zinc/08/53/74/427085374.db2.gz DNBISZAPVQIZKK-NVXWUHKLSA-N 1 3 318.461 2.817 20 0 DFADHO C[C@H](CNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000338002921 427086788 /nfs/dbraw/zinc/08/67/88/427086788.db2.gz SSDWUOKPPAZSFT-NQNKBUKLSA-N 1 3 309.498 2.627 20 0 DFADHO C[C@H](CNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)[N@H+]1CCCC[C@H]1C ZINC000338002921 427086793 /nfs/dbraw/zinc/08/67/93/427086793.db2.gz SSDWUOKPPAZSFT-NQNKBUKLSA-N 1 3 309.498 2.627 20 0 DFADHO CC1CC[NH+](Cc2ccc(NC(=O)C3(N)CCC3)cc2)CC1 ZINC000296147311 427092881 /nfs/dbraw/zinc/09/28/81/427092881.db2.gz VRGMGWAJPAVYBL-UHFFFAOYSA-N 1 3 301.434 2.738 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc2c(c1)CC(=O)N2C ZINC000268701292 427094731 /nfs/dbraw/zinc/09/47/31/427094731.db2.gz ABJCIDSWDZBVFC-OAHLLOKOSA-N 1 3 315.461 2.732 20 0 DFADHO CC[C@@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC000268709503 427097853 /nfs/dbraw/zinc/09/78/53/427097853.db2.gz CREKEQRFRKJYNA-HOCLYGCPSA-N 1 3 305.466 2.572 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCCc2c(O)cccc21 ZINC000283949869 427104567 /nfs/dbraw/zinc/10/45/67/427104567.db2.gz FRPVXAWRQZFGEB-WMLDXEAASA-N 1 3 306.450 2.716 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000268823650 427127643 /nfs/dbraw/zinc/12/76/43/427127643.db2.gz OSEJWTZHFRQRMO-HOTGVXAUSA-N 1 3 317.477 2.533 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000268823650 427127650 /nfs/dbraw/zinc/12/76/50/427127650.db2.gz OSEJWTZHFRQRMO-HOTGVXAUSA-N 1 3 317.477 2.533 20 0 DFADHO C[C@@H]1CC[C@H](C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)O1 ZINC000190651718 427152669 /nfs/dbraw/zinc/15/26/69/427152669.db2.gz SVBZBWDTWFYUHY-VXIBKDFQSA-N 1 3 324.509 2.765 20 0 DFADHO C[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)[C@@H](N)c1ccccc1 ZINC000165005906 271094661 /nfs/dbraw/zinc/09/46/61/271094661.db2.gz URWPHYXLILXWHM-CRAIPNDOSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)[C@@H](N)c1ccccc1 ZINC000165005906 271094664 /nfs/dbraw/zinc/09/46/64/271094664.db2.gz URWPHYXLILXWHM-CRAIPNDOSA-N 1 3 317.477 2.703 20 0 DFADHO CC1CCN(CCC[NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000227404622 271235433 /nfs/dbraw/zinc/23/54/33/271235433.db2.gz CPLDQRYDZKSCBT-UHFFFAOYSA-N 1 3 313.486 2.613 20 0 DFADHO CC1CC[NH+](CCCNCCCNC(=O)OC(C)(C)C)CC1 ZINC000227404622 271235436 /nfs/dbraw/zinc/23/54/36/271235436.db2.gz CPLDQRYDZKSCBT-UHFFFAOYSA-N 1 3 313.486 2.613 20 0 DFADHO C[C@@H](C[NH2+]CCCNC(=O)OC(C)(C)C)CN1CCCCC1 ZINC000227409694 271235624 /nfs/dbraw/zinc/23/56/24/271235624.db2.gz DJUZXYHNFFDVND-HNNXBMFYSA-N 1 3 313.486 2.613 20 0 DFADHO [NH3+]CCCCCCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000237988929 271254606 /nfs/dbraw/zinc/25/46/06/271254606.db2.gz DBCQCNLWXMOLQI-GOSISDBHSA-N 1 3 317.477 2.676 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000238020980 271256548 /nfs/dbraw/zinc/25/65/48/271256548.db2.gz YDEWEEMXVIVVLG-QZTJIDSGSA-N 1 3 315.461 2.530 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC000303394882 271364442 /nfs/dbraw/zinc/36/44/42/271364442.db2.gz XGRHAFKBAZGUTK-GTAWCEEGSA-N 1 3 313.489 2.866 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC000303394882 271364445 /nfs/dbraw/zinc/36/44/45/271364445.db2.gz XGRHAFKBAZGUTK-GTAWCEEGSA-N 1 3 313.489 2.866 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CCN1 ZINC000333344100 271371194 /nfs/dbraw/zinc/37/11/94/271371194.db2.gz YUTKJOFFOQOZEU-PPXVZNSRSA-N 1 3 313.445 2.549 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000338199953 427189124 /nfs/dbraw/zinc/18/91/24/427189124.db2.gz PBWCWEBWJQONBI-CXAGYDPISA-N 1 3 323.431 2.568 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000293312394 427281980 /nfs/dbraw/zinc/28/19/80/427281980.db2.gz FFEIPRPPAOBLAJ-VYDXJSESSA-N 1 3 305.441 2.724 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000293312394 427281986 /nfs/dbraw/zinc/28/19/86/427281986.db2.gz FFEIPRPPAOBLAJ-VYDXJSESSA-N 1 3 305.441 2.724 20 0 DFADHO C[C@H](Cc1cccc(Cl)c1)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000338428471 427317244 /nfs/dbraw/zinc/31/72/44/427317244.db2.gz DHXVMERSEAEWAI-CRAIPNDOSA-N 1 3 324.896 2.953 20 0 DFADHO Cn1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c(C(C)(C)C)n1 ZINC000261824739 427341636 /nfs/dbraw/zinc/34/16/36/427341636.db2.gz AWDXFSYHVOOWTD-MRXNPFEDSA-N 1 3 304.482 2.682 20 0 DFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000261969746 427347915 /nfs/dbraw/zinc/34/79/15/427347915.db2.gz CUQJNJBNMUQMGF-NUJGCVRESA-N 1 3 319.493 2.766 20 0 DFADHO CCN(C)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cn1 ZINC000191221926 427289485 /nfs/dbraw/zinc/28/94/85/427289485.db2.gz BFORZFALSCYVCV-ALOPSCKCSA-N 1 3 302.466 2.643 20 0 DFADHO COC(=O)C(C)(C)CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000338563028 427381246 /nfs/dbraw/zinc/38/12/46/427381246.db2.gz HGXCWCDKBIJTOJ-ZBFHGGJFSA-N 1 3 308.466 2.524 20 0 DFADHO COC(=O)C(C)(C)CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000338563028 427381254 /nfs/dbraw/zinc/38/12/54/427381254.db2.gz HGXCWCDKBIJTOJ-ZBFHGGJFSA-N 1 3 308.466 2.524 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC000191599644 427384913 /nfs/dbraw/zinc/38/49/13/427384913.db2.gz GWUPHUJEUKFRDS-LJQANCHMSA-N 1 3 316.493 2.635 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC000191599644 427384918 /nfs/dbraw/zinc/38/49/18/427384918.db2.gz GWUPHUJEUKFRDS-LJQANCHMSA-N 1 3 316.493 2.635 20 0 DFADHO C[C@H](C[NH2+]C1CCN(c2ccc(F)cc2F)CC1)CN(C)C ZINC000293694170 427408680 /nfs/dbraw/zinc/40/86/80/427408680.db2.gz NXFVKVALZBSARG-CYBMUJFWSA-N 1 3 311.420 2.721 20 0 DFADHO FC(F)(F)c1ccnc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000293711886 427414329 /nfs/dbraw/zinc/41/43/29/427414329.db2.gz MWMLCVWTXVBKQC-GJZGRUSLSA-N 1 3 313.367 2.859 20 0 DFADHO FC(F)(F)c1ccnc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000293711886 427414335 /nfs/dbraw/zinc/41/43/35/427414335.db2.gz MWMLCVWTXVBKQC-GJZGRUSLSA-N 1 3 313.367 2.859 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000293718545 427414742 /nfs/dbraw/zinc/41/47/42/427414742.db2.gz PKHRMYUTDAQWHY-CABCVRRESA-N 1 3 305.466 2.753 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)NC[C@@H](C)C[NH+](C)C ZINC000293718545 427414750 /nfs/dbraw/zinc/41/47/50/427414750.db2.gz PKHRMYUTDAQWHY-CABCVRRESA-N 1 3 305.466 2.753 20 0 DFADHO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCCN(CC)CC)C1 ZINC000191462649 427356499 /nfs/dbraw/zinc/35/64/99/427356499.db2.gz CEDKHAJYSHOWLA-IRXDYDNUSA-N 1 3 311.514 2.735 20 0 DFADHO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCCN(CC)CC)C1 ZINC000191462649 427356503 /nfs/dbraw/zinc/35/65/03/427356503.db2.gz CEDKHAJYSHOWLA-IRXDYDNUSA-N 1 3 311.514 2.735 20 0 DFADHO CO[C@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C1CC1 ZINC000293563149 427363966 /nfs/dbraw/zinc/36/39/66/427363966.db2.gz ASCLGONBBPQTMT-KBXCAEBGSA-N 1 3 306.450 2.703 20 0 DFADHO CO[C@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C1CC1 ZINC000293563156 427364370 /nfs/dbraw/zinc/36/43/70/427364370.db2.gz ASCLGONBBPQTMT-RDTXWAMCSA-N 1 3 306.450 2.703 20 0 DFADHO FC(F)(F)c1cccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000293775556 427432112 /nfs/dbraw/zinc/43/21/12/427432112.db2.gz SMVOZTRIQHKATC-KGLIPLIRSA-N 1 3 313.367 2.859 20 0 DFADHO FC(F)(F)c1cccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000293775556 427432117 /nfs/dbraw/zinc/43/21/17/427432117.db2.gz SMVOZTRIQHKATC-KGLIPLIRSA-N 1 3 313.367 2.859 20 0 DFADHO O[C@@H](CN[C@@H](Cc1ccccc1Cl)C1CC1)C[NH+]1CCCC1 ZINC000293785122 427434933 /nfs/dbraw/zinc/43/49/33/427434933.db2.gz QJUZPWPPICHSQA-WMZOPIPTSA-N 1 3 322.880 2.707 20 0 DFADHO Clc1ccc(CC[NH2+]C2CCN(c3ccncc3)CC2)cn1 ZINC000297716833 427435527 /nfs/dbraw/zinc/43/55/27/427435527.db2.gz RNSXMYAZGRLZGO-UHFFFAOYSA-N 1 3 316.836 2.931 20 0 DFADHO Cc1nc(CC[NH2+]C2CCN(c3ccncc3)CC2)sc1C ZINC000297747752 427443767 /nfs/dbraw/zinc/44/37/67/427443767.db2.gz UCQWTZDWMMDSBT-UHFFFAOYSA-N 1 3 316.474 2.956 20 0 DFADHO Cc1cncc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000184361881 427445990 /nfs/dbraw/zinc/44/59/90/427445990.db2.gz NGWQIBHXNXDVSP-JKSUJKDBSA-N 1 3 303.450 2.542 20 0 DFADHO c1cc(N2CCC([NH2+][C@H]3CCCC34CCOCC4)CC2)ccn1 ZINC000298162228 427524900 /nfs/dbraw/zinc/52/49/00/427524900.db2.gz SQVJTYSHSYPYAN-SFHVURJKSA-N 1 3 315.461 2.989 20 0 DFADHO CN(CCc1cccc(Cl)c1)CC[N@H+](C)C1CCN(C)CC1 ZINC000298115181 427526298 /nfs/dbraw/zinc/52/62/98/427526298.db2.gz ORAAQCPNSDCKLD-UHFFFAOYSA-N 1 3 323.912 2.840 20 0 DFADHO CN(CCc1cccc(Cl)c1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000298115181 427526305 /nfs/dbraw/zinc/52/63/05/427526305.db2.gz ORAAQCPNSDCKLD-UHFFFAOYSA-N 1 3 323.912 2.840 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](O)c1c(F)cccc1F ZINC000271449053 427540922 /nfs/dbraw/zinc/54/09/22/427540922.db2.gz FKMASLDVUXWQQL-LVRJZDEYSA-N 1 3 312.404 2.849 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](O)c1c(F)cccc1F ZINC000271449053 427540927 /nfs/dbraw/zinc/54/09/27/427540927.db2.gz FKMASLDVUXWQQL-LVRJZDEYSA-N 1 3 312.404 2.849 20 0 DFADHO O[C@H](Cc1ccc(F)cc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000338911329 427553244 /nfs/dbraw/zinc/55/32/44/427553244.db2.gz JXBLUCPEIZHCGE-LJQANCHMSA-N 1 3 320.452 2.537 20 0 DFADHO CCC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccnc1 ZINC000184983001 427571125 /nfs/dbraw/zinc/57/11/25/427571125.db2.gz LKYTVWOJNCOGBE-GOSISDBHSA-N 1 3 304.482 2.538 20 0 DFADHO CCC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccnc1 ZINC000184982985 427571292 /nfs/dbraw/zinc/57/12/92/427571292.db2.gz LKYTVWOJNCOGBE-SFHVURJKSA-N 1 3 304.482 2.538 20 0 DFADHO COc1ccccc1[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000271524077 427573403 /nfs/dbraw/zinc/57/34/03/427573403.db2.gz PVULXHYMCRSZII-WBAXXEDZSA-N 1 3 318.461 2.724 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1C ZINC000339009699 427623104 /nfs/dbraw/zinc/62/31/04/427623104.db2.gz GKXCITQSJHMAEP-JCGIZDLHSA-N 1 3 308.441 2.534 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1C ZINC000339009699 427623109 /nfs/dbraw/zinc/62/31/09/427623109.db2.gz GKXCITQSJHMAEP-JCGIZDLHSA-N 1 3 308.441 2.534 20 0 DFADHO COCCOc1ccc([C@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271822374 427588873 /nfs/dbraw/zinc/58/88/73/427588873.db2.gz CQGMCBBLKCRANI-HNNXBMFYSA-N 1 3 304.434 2.624 20 0 DFADHO COc1ccc2c(c1)[C@@H](NCC1=CC[N@H+](C)CC1)CCCO2 ZINC000271873339 427592873 /nfs/dbraw/zinc/59/28/73/427592873.db2.gz NJIQTQSZBVEXGN-KRWDZBQOSA-N 1 3 302.418 2.760 20 0 DFADHO COc1ccc2c(c1)[C@@H](NCC1=CC[N@@H+](C)CC1)CCCO2 ZINC000271873339 427592879 /nfs/dbraw/zinc/59/28/79/427592879.db2.gz NJIQTQSZBVEXGN-KRWDZBQOSA-N 1 3 302.418 2.760 20 0 DFADHO C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)N1CCc2sccc2C1 ZINC000192751748 427601183 /nfs/dbraw/zinc/60/11/83/427601183.db2.gz MSZXAIGWVVVECV-HZTRTUMWSA-N 1 3 319.518 2.710 20 0 DFADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCc2sccc2C1 ZINC000192751748 427601187 /nfs/dbraw/zinc/60/11/87/427601187.db2.gz MSZXAIGWVVVECV-HZTRTUMWSA-N 1 3 319.518 2.710 20 0 DFADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCc2sccc2C1 ZINC000192751748 427601195 /nfs/dbraw/zinc/60/11/95/427601195.db2.gz MSZXAIGWVVVECV-HZTRTUMWSA-N 1 3 319.518 2.710 20 0 DFADHO CC1(C)CC([NH2+]C2CCN(CC(F)(F)F)CC2)CC(C)(C)N1 ZINC000192944554 427638514 /nfs/dbraw/zinc/63/85/14/427638514.db2.gz FUSZMIDXSJTKPL-UHFFFAOYSA-N 1 3 321.431 2.912 20 0 DFADHO CC1(C)CC(NC2CCN(CC(F)(F)F)CC2)CC(C)(C)[NH2+]1 ZINC000192944554 427638521 /nfs/dbraw/zinc/63/85/21/427638521.db2.gz FUSZMIDXSJTKPL-UHFFFAOYSA-N 1 3 321.431 2.912 20 0 DFADHO CN(c1ccccc1CN[C@@H]1C[C@@H]1C(F)F)C1CC[NH+](C)CC1 ZINC000342242725 271974637 /nfs/dbraw/zinc/97/46/37/271974637.db2.gz WKHBKFSVUMKAIF-JKSUJKDBSA-N 1 3 323.431 2.960 20 0 DFADHO C[C@H]1CC2(CN1Cc1nc(-c3ccccc3)no1)CC[NH2+]CC2 ZINC000333546144 427645009 /nfs/dbraw/zinc/64/50/09/427645009.db2.gz IRPWGSMYKCYJOH-AWEZNQCLSA-N 1 3 312.417 2.701 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+]C1CCC2(CC2)CC1 ZINC000342419331 272008404 /nfs/dbraw/zinc/00/84/04/272008404.db2.gz JPDHPMZXGUIVAW-UHFFFAOYSA-N 1 3 303.450 2.834 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000342787929 272054085 /nfs/dbraw/zinc/05/40/85/272054085.db2.gz OFFVDKIKJOGJMG-MRXNPFEDSA-N 1 3 311.514 2.878 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000343446774 272148567 /nfs/dbraw/zinc/14/85/67/272148567.db2.gz MENMKLFNFJDPAZ-QGZVFWFLSA-N 1 3 324.440 2.770 20 0 DFADHO C[C@H](CCO)CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000295054599 427675225 /nfs/dbraw/zinc/67/52/25/427675225.db2.gz GBMBAYCBNPAGLZ-OJAHFUOMSA-N 1 3 316.489 2.895 20 0 DFADHO C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343891609 272233316 /nfs/dbraw/zinc/23/33/16/272233316.db2.gz YVSKKWSJOIWMFQ-GJYPPUQNSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343891609 272233318 /nfs/dbraw/zinc/23/33/18/272233318.db2.gz YVSKKWSJOIWMFQ-GJYPPUQNSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccncc1OCCN(C)C ZINC000343920960 272237981 /nfs/dbraw/zinc/23/79/81/272237981.db2.gz DJQKNZAXOQIIIJ-GJZGRUSLSA-N 1 3 305.466 2.936 20 0 DFADHO Cc1nn(C)cc1C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272239844 427680741 /nfs/dbraw/zinc/68/07/41/427680741.db2.gz WIEWOADNOFKVLG-MAUKXSAKSA-N 1 3 312.461 2.729 20 0 DFADHO COc1cccc([C@@H](C)[N@H+](C)CCCN(C)CCN(C)C)c1 ZINC000344028081 272251701 /nfs/dbraw/zinc/25/17/01/272251701.db2.gz MGIFAJWYBDUIMI-MRXNPFEDSA-N 1 3 307.482 2.572 20 0 DFADHO COc1cccc([C@@H](C)[N@@H+](C)CCCN(C)CCN(C)C)c1 ZINC000344028081 272251703 /nfs/dbraw/zinc/25/17/03/272251703.db2.gz MGIFAJWYBDUIMI-MRXNPFEDSA-N 1 3 307.482 2.572 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344137801 272271875 /nfs/dbraw/zinc/27/18/75/272271875.db2.gz SMKUTJUHAOOMFZ-IBGZPJMESA-N 1 3 319.468 2.819 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)Nc2ccc(CN(C)C)cc2)CC1 ZINC000344262738 272299876 /nfs/dbraw/zinc/29/98/76/272299876.db2.gz JZHYOKYDYPXOCK-UHFFFAOYSA-N 1 3 303.450 2.807 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000345000150 272391985 /nfs/dbraw/zinc/39/19/85/272391985.db2.gz IVHOMMKBHUBHSP-ADHGMGHFSA-N 1 3 321.509 2.723 20 0 DFADHO Cc1cc(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c2ccccc2n1 ZINC000333758227 427685472 /nfs/dbraw/zinc/68/54/72/427685472.db2.gz CCVLKAPGLQSKFW-APWZRJJASA-N 1 3 311.429 2.876 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2NCCCC2(C)C)CC1 ZINC000336872356 427768797 /nfs/dbraw/zinc/76/87/97/427768797.db2.gz MEHBCJHNPLMMGY-QGZVFWFLSA-N 1 3 323.525 2.735 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2NCCCC2(C)C)CC1 ZINC000336872356 427768800 /nfs/dbraw/zinc/76/88/00/427768800.db2.gz MEHBCJHNPLMMGY-QGZVFWFLSA-N 1 3 323.525 2.735 20 0 DFADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)C(C)(C)C)CC2)CC1 ZINC000339544573 427791310 /nfs/dbraw/zinc/79/13/10/427791310.db2.gz HGNFUISODXUJLG-UHFFFAOYSA-N 1 3 323.525 2.734 20 0 DFADHO CCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000194097599 427730154 /nfs/dbraw/zinc/73/01/54/427730154.db2.gz CVAQWFSGABXFBY-UHFFFAOYSA-N 1 3 317.477 2.629 20 0 DFADHO Cc1sccc1C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000339300196 427753867 /nfs/dbraw/zinc/75/38/67/427753867.db2.gz BTQKFTZQULABHK-IAGOWNOFSA-N 1 3 308.491 2.914 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C[C@@](C)(O)C(F)(F)F)CC1 ZINC000337140534 427804515 /nfs/dbraw/zinc/80/45/15/427804515.db2.gz RFRGYHGDJNVDHG-CQSZACIVSA-N 1 3 310.404 2.744 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C[C@@](C)(O)C(F)(F)F)CC1 ZINC000337140534 427804518 /nfs/dbraw/zinc/80/45/18/427804518.db2.gz RFRGYHGDJNVDHG-CQSZACIVSA-N 1 3 310.404 2.744 20 0 DFADHO CC[NH+](CC)CCOC1CCN(CCc2c(C)noc2C)CC1 ZINC000339666284 427809468 /nfs/dbraw/zinc/80/94/68/427809468.db2.gz SVEPFHXUTLBCKA-UHFFFAOYSA-N 1 3 323.481 2.657 20 0 DFADHO COC(C)(C)[C@H](C)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000340480506 427857772 /nfs/dbraw/zinc/85/77/72/427857772.db2.gz PJORIHPCPUVYAJ-HNNXBMFYSA-N 1 3 308.466 2.573 20 0 DFADHO CC(C)C[C@@H](C)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000337194661 427813075 /nfs/dbraw/zinc/81/30/75/427813075.db2.gz WJCDTENKTHPXRM-KAKFPZCNSA-N 1 3 307.526 2.911 20 0 DFADHO CC(C)C[C@@H](C)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000337194661 427813076 /nfs/dbraw/zinc/81/30/76/427813076.db2.gz WJCDTENKTHPXRM-KAKFPZCNSA-N 1 3 307.526 2.911 20 0 DFADHO CCc1cc(N2CCN([C@H](C)COC)CC2)c2ccccc2[nH+]1 ZINC000301764519 427822796 /nfs/dbraw/zinc/82/27/96/427822796.db2.gz AUDCHGDNHGYGEQ-OAHLLOKOSA-N 1 3 313.445 2.954 20 0 DFADHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1ccccc1F ZINC000337279548 427830314 /nfs/dbraw/zinc/83/03/14/427830314.db2.gz UJFGOTQLSAMBIJ-UHFFFAOYSA-N 1 3 307.413 2.572 20 0 DFADHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1ccccc1F ZINC000337279548 427830315 /nfs/dbraw/zinc/83/03/15/427830315.db2.gz UJFGOTQLSAMBIJ-UHFFFAOYSA-N 1 3 307.413 2.572 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000337311221 427837530 /nfs/dbraw/zinc/83/75/30/427837530.db2.gz CAUHMPZNMVVWJW-QZTJIDSGSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000337311221 427837534 /nfs/dbraw/zinc/83/75/34/427837534.db2.gz CAUHMPZNMVVWJW-QZTJIDSGSA-N 1 3 321.509 2.630 20 0 DFADHO CCCN(C)CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000345673538 427853570 /nfs/dbraw/zinc/85/35/70/427853570.db2.gz HUKSBATVQFWROP-OAHLLOKOSA-N 1 3 305.466 2.574 20 0 DFADHO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000340473224 427856562 /nfs/dbraw/zinc/85/65/62/427856562.db2.gz DNPQTYYLRIXOFO-OAHLLOKOSA-N 1 3 320.477 2.546 20 0 DFADHO CN(CCCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])Cc1ccccc1 ZINC000345693817 427862916 /nfs/dbraw/zinc/86/29/16/427862916.db2.gz OZNSGSGUKAXKRE-PKOBYXMFSA-N 1 3 317.477 2.532 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)C(C)C ZINC000340515004 427870205 /nfs/dbraw/zinc/87/02/05/427870205.db2.gz LIKZRRGGANXQKJ-IAGOWNOFSA-N 1 3 311.514 2.543 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)C(C)C ZINC000340515004 427870208 /nfs/dbraw/zinc/87/02/08/427870208.db2.gz LIKZRRGGANXQKJ-IAGOWNOFSA-N 1 3 311.514 2.543 20 0 DFADHO CC[C@H](C)N[C@@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1ccco1 ZINC000359543516 427903198 /nfs/dbraw/zinc/90/31/98/427903198.db2.gz NCBKGMBKJLSYFO-ZNMIVQPWSA-N 1 3 323.481 2.992 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](c1ccccc1Cl)N(C)C ZINC000359551204 427904766 /nfs/dbraw/zinc/90/47/66/427904766.db2.gz JRDUARLANNMISX-XYPHTWIQSA-N 1 3 309.885 2.873 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](c1ccccc1Cl)N(C)C ZINC000359551204 427904767 /nfs/dbraw/zinc/90/47/67/427904767.db2.gz JRDUARLANNMISX-XYPHTWIQSA-N 1 3 309.885 2.873 20 0 DFADHO O=C(C[N@@H+]1CCCC12CCCCC2)NC1CCN(C2CC2)CC1 ZINC000340230677 427960292 /nfs/dbraw/zinc/96/02/92/427960292.db2.gz MBSIBECJENDWGQ-UHFFFAOYSA-N 1 3 319.493 2.528 20 0 DFADHO O=C(C[N@H+]1CCCC12CCCCC2)NC1CCN(C2CC2)CC1 ZINC000340230677 427960297 /nfs/dbraw/zinc/96/02/97/427960297.db2.gz MBSIBECJENDWGQ-UHFFFAOYSA-N 1 3 319.493 2.528 20 0 DFADHO CN1CC[C@H]([NH2+][C@H]2CCc3cn[nH]c3C2)C[C@@H]1c1ccccc1 ZINC000340262553 427971422 /nfs/dbraw/zinc/97/14/22/427971422.db2.gz LNBFOVVVAQRBPI-JENIJYKNSA-N 1 3 310.445 2.692 20 0 DFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc(CN(C)C)cc1 ZINC000341034948 427975608 /nfs/dbraw/zinc/97/56/08/427975608.db2.gz HPBICYZXQWEQMS-HZPDHXFCSA-N 1 3 317.477 2.741 20 0 DFADHO CCC[N@H+](C)C[C@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000340288315 427979332 /nfs/dbraw/zinc/97/93/32/427979332.db2.gz IGYKDLLBOOPJOV-UXHICEINSA-N 1 3 315.505 2.925 20 0 DFADHO CCC[N@@H+](C)C[C@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000340288315 427979338 /nfs/dbraw/zinc/97/93/38/427979338.db2.gz IGYKDLLBOOPJOV-UXHICEINSA-N 1 3 315.505 2.925 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)CN(C)C)[C@@H]1Oc1ccccc1 ZINC000359716185 427986313 /nfs/dbraw/zinc/98/63/13/427986313.db2.gz MHIJQKQYKQNZBZ-KURKYZTESA-N 1 3 320.477 2.789 20 0 DFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1ccsc1Cl ZINC000359731208 427992476 /nfs/dbraw/zinc/99/24/76/427992476.db2.gz AEOSGBYDGMYIQX-ZDUSSCGKSA-N 1 3 302.871 2.728 20 0 DFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1ccsc1Cl ZINC000359731208 427992483 /nfs/dbraw/zinc/99/24/83/427992483.db2.gz AEOSGBYDGMYIQX-ZDUSSCGKSA-N 1 3 302.871 2.728 20 0 DFADHO CC(C)N(C)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000359641226 427949358 /nfs/dbraw/zinc/94/93/58/427949358.db2.gz MVQXSNUGZQDNRG-IEBWSBKVSA-N 1 3 318.509 2.612 20 0 DFADHO C[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@@]1(C)CCCO1 ZINC000340189070 427949422 /nfs/dbraw/zinc/94/94/22/427949422.db2.gz UNUYMWHUBZKFNZ-MAUKXSAKSA-N 1 3 306.450 2.674 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+]C[C@H]3CCCOC3)cc2)CC1 ZINC000341253104 428028954 /nfs/dbraw/zinc/02/89/54/428028954.db2.gz JJVTYNVUUFJXJH-QGZVFWFLSA-N 1 3 318.461 2.676 20 0 DFADHO C[C@H](CCc1cccc(F)c1)[NH+]1CCC(N(C)C[C@H](C)O)CC1 ZINC000341332797 428033788 /nfs/dbraw/zinc/03/37/88/428033788.db2.gz WQWQQQFGEFSQTB-CVEARBPZSA-N 1 3 322.468 2.924 20 0 DFADHO CCCN(CC[NH+](CC)CC)C(=O)c1cccc(CN(C)C)c1 ZINC000359850044 428046199 /nfs/dbraw/zinc/04/61/99/428046199.db2.gz PGGDUEVGKWAVIM-UHFFFAOYSA-N 1 3 319.493 2.942 20 0 DFADHO CC[NH+](CC)CCCC1CCN(CC(=O)N(C)C(C)C)CC1 ZINC000359874107 428057905 /nfs/dbraw/zinc/05/79/05/428057905.db2.gz MEBQNXNXQAFWQJ-UHFFFAOYSA-N 1 3 311.514 2.687 20 0 DFADHO c1ccc(C[N@@H+]2C[C@H](NCC3=CCCOC3)C[C@@H]2C2CC2)cc1 ZINC000376824994 428006339 /nfs/dbraw/zinc/00/63/39/428006339.db2.gz ZMXGHGVOQPIJHF-WOJBJXKFSA-N 1 3 312.457 2.976 20 0 DFADHO c1ccc(C[N@H+]2C[C@H](NCC3=CCCOC3)C[C@@H]2C2CC2)cc1 ZINC000376824994 428006342 /nfs/dbraw/zinc/00/63/42/428006342.db2.gz ZMXGHGVOQPIJHF-WOJBJXKFSA-N 1 3 312.457 2.976 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCSC2)CC1 ZINC000346217122 428077125 /nfs/dbraw/zinc/07/71/25/428077125.db2.gz XNEBJBPJGGXJCP-KRWDZBQOSA-N 1 3 319.518 2.814 20 0 DFADHO C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)N1CCCCCC1 ZINC000346225533 428080113 /nfs/dbraw/zinc/08/01/13/428080113.db2.gz ULWIUZAVDIQZEE-SJORKVTESA-N 1 3 309.498 2.584 20 0 DFADHO C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)N1CCCCCC1 ZINC000346225533 428080117 /nfs/dbraw/zinc/08/01/17/428080117.db2.gz ULWIUZAVDIQZEE-SJORKVTESA-N 1 3 309.498 2.584 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000351860490 428113388 /nfs/dbraw/zinc/11/33/88/428113388.db2.gz ISVCTVPWCGDRJJ-AAEUAGOBSA-N 1 3 320.824 2.602 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCN(CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000351861185 428114126 /nfs/dbraw/zinc/11/41/26/428114126.db2.gz JIQZJLVSXPWYML-RYUDHWBXSA-N 1 3 302.340 2.753 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000351864650 428116453 /nfs/dbraw/zinc/11/64/53/428116453.db2.gz YTBADYOSXAQKJQ-NVXWUHKLSA-N 1 3 311.429 2.830 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1cccc(-c2nccn2C)c1 ZINC000360056848 428136479 /nfs/dbraw/zinc/13/64/79/428136479.db2.gz IZUOOWXHMYKQQJ-IIDMSEBBSA-N 1 3 312.461 2.905 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cccc(-c2nccn2C)c1 ZINC000360056848 428136484 /nfs/dbraw/zinc/13/64/84/428136484.db2.gz IZUOOWXHMYKQQJ-IIDMSEBBSA-N 1 3 312.461 2.905 20 0 DFADHO CN(C/C=C/Cl)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370190543 428154721 /nfs/dbraw/zinc/15/47/21/428154721.db2.gz HZUTVGNMJQRFAT-YCRREMRBSA-N 1 3 313.917 2.867 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(CC)CCN1CCCCCC1 ZINC000360241639 428220625 /nfs/dbraw/zinc/22/06/25/428220625.db2.gz LZSJYDRYDKFKEG-KRWDZBQOSA-N 1 3 311.514 2.878 20 0 DFADHO Cc1cc2ncc([C@@H](C)NCC[C@@H]3CCC[N@H+](C)C3)c(C)n2n1 ZINC000414169646 428221494 /nfs/dbraw/zinc/22/14/94/428221494.db2.gz BFZUEDBUUUUVJF-ZBFHGGJFSA-N 1 3 315.465 2.729 20 0 DFADHO Cc1cc2ncc([C@@H](C)NCC[C@@H]3CCC[N@@H+](C)C3)c(C)n2n1 ZINC000414169646 428221499 /nfs/dbraw/zinc/22/14/99/428221499.db2.gz BFZUEDBUUUUVJF-ZBFHGGJFSA-N 1 3 315.465 2.729 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@H]1C[C@@H]1C ZINC000414065836 428196089 /nfs/dbraw/zinc/19/60/89/428196089.db2.gz GMIIHMGEIKJIEN-WDSOQIARSA-N 1 3 316.493 2.618 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@H]1C[C@H]1C ZINC000414076699 428199532 /nfs/dbraw/zinc/19/95/32/428199532.db2.gz QIALKSYJXPOFAA-GJYPPUQNSA-N 1 3 301.478 2.568 20 0 DFADHO [NH3+]CC1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000346679656 428271912 /nfs/dbraw/zinc/27/19/12/428271912.db2.gz ZZYRGUYMPWQBCD-UHFFFAOYSA-N 1 3 302.340 2.798 20 0 DFADHO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000370688282 428276571 /nfs/dbraw/zinc/27/65/71/428276571.db2.gz FYCQFESFTCJVSN-WBVHZDCISA-N 1 3 319.468 2.515 20 0 DFADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OCc2ccncc2)cc1 ZINC000346693421 428277316 /nfs/dbraw/zinc/27/73/16/428277316.db2.gz NAPZSTKZYMMDDC-YJBOKZPZSA-N 1 3 311.429 2.830 20 0 DFADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cccc(OCc2ccccn2)c1 ZINC000346693184 428278037 /nfs/dbraw/zinc/27/80/37/428278037.db2.gz LFHJBKKWOIZOLX-WBVHZDCISA-N 1 3 311.429 2.830 20 0 DFADHO OC1(C[NH2+][C@@H]2CCC23CCC3)CCN(Cc2ccccc2)CC1 ZINC000414305111 428254991 /nfs/dbraw/zinc/25/49/91/428254991.db2.gz NERGHNDPCRPCES-GOSISDBHSA-N 1 3 314.473 2.936 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000370627518 428258326 /nfs/dbraw/zinc/25/83/26/428258326.db2.gz CDKWBHNNKGYBNK-LGWLGOQQSA-N 1 3 323.431 2.862 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000370627518 428258334 /nfs/dbraw/zinc/25/83/34/428258334.db2.gz CDKWBHNNKGYBNK-LGWLGOQQSA-N 1 3 323.431 2.862 20 0 DFADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000370637667 428260878 /nfs/dbraw/zinc/26/08/78/428260878.db2.gz VNYHSZXXYMEGEO-FUHWJXTLSA-N 1 3 301.478 2.814 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1ccc(F)c(F)c1F ZINC000346801514 428324468 /nfs/dbraw/zinc/32/44/68/428324468.db2.gz SQGYJVUGLKFWKY-UHIISALHSA-N 1 3 300.368 2.965 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1ccc(F)c(F)c1F ZINC000346801514 428324473 /nfs/dbraw/zinc/32/44/73/428324473.db2.gz SQGYJVUGLKFWKY-UHIISALHSA-N 1 3 300.368 2.965 20 0 DFADHO Cc1nn(C(C)(C)C)c(C)c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346832599 428336918 /nfs/dbraw/zinc/33/69/18/428336918.db2.gz LPPJGWASZSFCHY-BHYGNILZSA-N 1 3 304.482 2.814 20 0 DFADHO COc1ccc(CC2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346842257 428343083 /nfs/dbraw/zinc/34/30/83/428343083.db2.gz HVXGJRRJJAQTEZ-SFHVURJKSA-N 1 3 302.462 2.949 20 0 DFADHO COc1ccc(CC2CC[NH+](C[C@H]3CCCNC3)CC2)cc1 ZINC000346842257 428343087 /nfs/dbraw/zinc/34/30/87/428343087.db2.gz HVXGJRRJJAQTEZ-SFHVURJKSA-N 1 3 302.462 2.949 20 0 DFADHO CC(C)N(C)CCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000356876373 428345224 /nfs/dbraw/zinc/34/52/24/428345224.db2.gz RHGWHOLSQYSAGJ-UHFFFAOYSA-N 1 3 309.420 2.723 20 0 DFADHO CC(C)CSCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000378248768 428345563 /nfs/dbraw/zinc/34/55/63/428345563.db2.gz ZXGRQFAXQHESDA-IXDOHACOSA-N 1 3 314.539 2.949 20 0 DFADHO C[C@H](c1ccc(F)cc1)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371426848 428389195 /nfs/dbraw/zinc/38/91/95/428389195.db2.gz ZHPDZFIZOWFFPF-BEFAXECRSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@H](c1ccc(F)cc1)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371426848 428389202 /nfs/dbraw/zinc/38/92/02/428389202.db2.gz ZHPDZFIZOWFFPF-BEFAXECRSA-N 1 3 319.468 2.987 20 0 DFADHO CC(C)N(CC(=O)Nc1ccc(F)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414737814 428391317 /nfs/dbraw/zinc/39/13/17/428391317.db2.gz OLERBICWQSGLMU-GJZGRUSLSA-N 1 3 321.440 2.863 20 0 DFADHO C[C@@H]1C[C@H](CN2CCNC[C@@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000414739233 428391404 /nfs/dbraw/zinc/39/14/04/428391404.db2.gz PWQQDGLNJVBZAG-CKEIUWERSA-N 1 3 307.869 2.674 20 0 DFADHO CC(C)C[C@H](N)C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000414761314 428394616 /nfs/dbraw/zinc/39/46/16/428394616.db2.gz SPWXTRMMWFGQCM-SFHVURJKSA-N 1 3 304.478 2.677 20 0 DFADHO C[C@H](c1ccc(F)cc1)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000378436611 428395470 /nfs/dbraw/zinc/39/54/70/428395470.db2.gz QOKZQWSJEJTXHS-SJORKVTESA-N 1 3 319.468 2.846 20 0 DFADHO CCOC(=O)CC[N@H+](C)C1CCN(C2CCC(C)CC2)CC1 ZINC000371502903 428396355 /nfs/dbraw/zinc/39/63/55/428396355.db2.gz CYQICTYBHDJTOE-UHFFFAOYSA-N 1 3 310.482 2.915 20 0 DFADHO CCOC(=O)CC[N@@H+](C)C1CCN(C2CCC(C)CC2)CC1 ZINC000371502903 428396360 /nfs/dbraw/zinc/39/63/60/428396360.db2.gz CYQICTYBHDJTOE-UHFFFAOYSA-N 1 3 310.482 2.915 20 0 DFADHO Cc1ccccc1-n1nccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414764379 428397740 /nfs/dbraw/zinc/39/77/40/428397740.db2.gz DFZDUOUNIFERGU-CALCHBBNSA-N 1 3 310.445 2.612 20 0 DFADHO OCCCN(C[C@H]1CCC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000346994680 428399173 /nfs/dbraw/zinc/39/91/73/428399173.db2.gz UXRAOQGNIKCXJM-LPHOPBHVSA-N 1 3 302.462 2.748 20 0 DFADHO OCCCN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000346994679 428400209 /nfs/dbraw/zinc/40/02/09/428400209.db2.gz UXRAOQGNIKCXJM-APWZRJJASA-N 1 3 302.462 2.748 20 0 DFADHO CCN(CC)c1ncc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414778564 428403691 /nfs/dbraw/zinc/40/36/91/428403691.db2.gz JCMGGNQXVUGYGD-GJZGRUSLSA-N 1 3 322.522 2.811 20 0 DFADHO CCCc1cccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414776281 428405685 /nfs/dbraw/zinc/40/56/85/428405685.db2.gz GXAZDSZBYCHGIU-GOSISDBHSA-N 1 3 302.462 2.826 20 0 DFADHO c1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000414787196 428410893 /nfs/dbraw/zinc/41/08/93/428410893.db2.gz VIQBMQMDLXXSDA-HZPDHXFCSA-N 1 3 316.445 2.669 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@H]1CN ZINC000414794151 428412327 /nfs/dbraw/zinc/41/23/27/428412327.db2.gz FHDSCWPHMDAQMJ-QRTARXTBSA-N 1 3 303.450 2.683 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@H]1CCC[C@H]1C[NH3+] ZINC000414794151 428412331 /nfs/dbraw/zinc/41/23/31/428412331.db2.gz FHDSCWPHMDAQMJ-QRTARXTBSA-N 1 3 303.450 2.683 20 0 DFADHO COc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000414790097 428413138 /nfs/dbraw/zinc/41/31/38/428413138.db2.gz ZLEDZNBCYRDCIR-CABCVRRESA-N 1 3 304.434 2.525 20 0 DFADHO CC1(C)Cc2cc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)ccc2O1 ZINC000414676039 428372370 /nfs/dbraw/zinc/37/23/70/428372370.db2.gz UQTZPWBAXMFDSM-UAGQMJEPSA-N 1 3 300.446 2.959 20 0 DFADHO Cc1ccccc1CN1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414684450 428377038 /nfs/dbraw/zinc/37/70/38/428377038.db2.gz VSHXEXCOUJJUMX-QZTJIDSGSA-N 1 3 301.478 2.501 20 0 DFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2CCC2CCCC2)C1 ZINC000414715436 428386274 /nfs/dbraw/zinc/38/62/74/428386274.db2.gz WUGCARZAYWNWCL-QZTJIDSGSA-N 1 3 321.509 2.619 20 0 DFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2CCC2CCCC2)C1 ZINC000414715436 428386276 /nfs/dbraw/zinc/38/62/76/428386276.db2.gz WUGCARZAYWNWCL-QZTJIDSGSA-N 1 3 321.509 2.619 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000414953414 428470174 /nfs/dbraw/zinc/47/01/74/428470174.db2.gz ROVWSUAUPSXDAR-HRCADAONSA-N 1 3 303.450 2.751 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)c(C)c1 ZINC000414953414 428470178 /nfs/dbraw/zinc/47/01/78/428470178.db2.gz ROVWSUAUPSXDAR-HRCADAONSA-N 1 3 303.450 2.751 20 0 DFADHO COc1ccccc1/C=C\CNCCC[NH2+]Cc1cccnc1 ZINC000414869063 428439181 /nfs/dbraw/zinc/43/91/81/428439181.db2.gz BGWOHWIRPKCQSP-UITAMQMPSA-N 1 3 311.429 2.873 20 0 DFADHO CCOc1c(OC)cc(CN2CCC([C@@H](C)[NH3+])CC2)cc1OC ZINC000347098838 428445050 /nfs/dbraw/zinc/44/50/50/428445050.db2.gz ITNMFSANZZTQLE-CYBMUJFWSA-N 1 3 322.449 2.662 20 0 DFADHO N[C@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000414888005 428447446 /nfs/dbraw/zinc/44/74/46/428447446.db2.gz JMCHUFZOGIDAQU-QGZVFWFLSA-N 1 3 307.869 2.631 20 0 DFADHO [NH3+][C@H](CNC1CCN(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000414888005 428447451 /nfs/dbraw/zinc/44/74/51/428447451.db2.gz JMCHUFZOGIDAQU-QGZVFWFLSA-N 1 3 307.869 2.631 20 0 DFADHO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379655312 428450479 /nfs/dbraw/zinc/45/04/79/428450479.db2.gz LLCUFQLWCSCUJD-MSOLQXFVSA-N 1 3 317.477 2.531 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000414902370 428451433 /nfs/dbraw/zinc/45/14/33/428451433.db2.gz HFMUECPDORAXIN-QRQLOZEOSA-N 1 3 301.478 2.801 20 0 DFADHO Cc1cc(C)c(C[NH+]2CCC(N(C)C[C@H](C)O)CC2)c(C)c1 ZINC000353258254 428454355 /nfs/dbraw/zinc/45/43/55/428454355.db2.gz LRMVFKROUFXNBF-KRWDZBQOSA-N 1 3 304.478 2.889 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@]2(C)CCC[NH2+]C2)c(C)c1 ZINC000414920519 428456911 /nfs/dbraw/zinc/45/69/11/428456911.db2.gz ZOKXWMXFSKIXNV-VQIMIIECSA-N 1 3 317.477 3.000 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(C)CCCNC2)c(C)c1 ZINC000414920519 428456916 /nfs/dbraw/zinc/45/69/16/428456916.db2.gz ZOKXWMXFSKIXNV-VQIMIIECSA-N 1 3 317.477 3.000 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CC[NH2+]C2)cc1Cl ZINC000414916207 428457275 /nfs/dbraw/zinc/45/72/75/428457275.db2.gz PBBSHMQEFPIHHK-OLZOCXBDSA-N 1 3 309.841 2.565 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000342792731 428458637 /nfs/dbraw/zinc/45/86/37/428458637.db2.gz XLGGPRBBXPNCNY-UHFFFAOYSA-N 1 3 323.525 2.831 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C[C@H]2C)c(Cl)c1 ZINC000414940900 428462024 /nfs/dbraw/zinc/46/20/24/428462024.db2.gz KZBQVRNORHGXJW-VNHYZAJKSA-N 1 3 323.868 2.953 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)c(Cl)c1 ZINC000414940900 428462028 /nfs/dbraw/zinc/46/20/28/428462028.db2.gz KZBQVRNORHGXJW-VNHYZAJKSA-N 1 3 323.868 2.953 20 0 DFADHO COc1cc(C)c(CN2CCC([C@H]3CCC[NH2+]3)CC2)c(C)n1 ZINC000347136126 428463024 /nfs/dbraw/zinc/46/30/24/428463024.db2.gz UABUPNOKSUQEKC-QGZVFWFLSA-N 1 3 303.450 2.671 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414951856 428467736 /nfs/dbraw/zinc/46/77/36/428467736.db2.gz QFCQDHIMUPWEPF-JMSVASOKSA-N 1 3 309.841 2.787 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414951856 428467742 /nfs/dbraw/zinc/46/77/42/428467742.db2.gz QFCQDHIMUPWEPF-JMSVASOKSA-N 1 3 309.841 2.787 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414951972 428468171 /nfs/dbraw/zinc/46/81/71/428468171.db2.gz QFCQDHIMUPWEPF-TYNCELHUSA-N 1 3 309.841 2.787 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414951972 428468175 /nfs/dbraw/zinc/46/81/75/428468175.db2.gz QFCQDHIMUPWEPF-TYNCELHUSA-N 1 3 309.841 2.787 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2CN)c1C ZINC000414809004 428417907 /nfs/dbraw/zinc/41/79/07/428417907.db2.gz SZYMIXDPALXEKP-YSVLISHTSA-N 1 3 303.450 2.738 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@@H]2C[NH3+])c1C ZINC000414809004 428417912 /nfs/dbraw/zinc/41/79/12/428417912.db2.gz SZYMIXDPALXEKP-YSVLISHTSA-N 1 3 303.450 2.738 20 0 DFADHO CCC(N)(CC)C[NH2+][C@@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000414810018 428418815 /nfs/dbraw/zinc/41/88/15/428418815.db2.gz NGRZLKUTVDAJRV-ZDUSSCGKSA-N 1 3 307.438 2.519 20 0 DFADHO CCc1noc(C)c1CN1CCC(OCC[NH+](CC)CC)CC1 ZINC000342368830 428420361 /nfs/dbraw/zinc/42/03/61/428420361.db2.gz ILHDVHZYKCYHKG-UHFFFAOYSA-N 1 3 323.481 2.868 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCCNC2)cc1OC ZINC000414820460 428420718 /nfs/dbraw/zinc/42/07/18/428420718.db2.gz JLXIJKAHCFVVBB-LZWOXQAQSA-N 1 3 306.450 2.613 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000414820460 428420723 /nfs/dbraw/zinc/42/07/23/428420723.db2.gz JLXIJKAHCFVVBB-LZWOXQAQSA-N 1 3 306.450 2.613 20 0 DFADHO C[C@H]([NH3+])CCN[C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414819838 428422985 /nfs/dbraw/zinc/42/29/85/428422985.db2.gz IKAZPCGZDSPURG-UWVGGRQHSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@H](N)CC[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414819838 428422992 /nfs/dbraw/zinc/42/29/92/428422992.db2.gz IKAZPCGZDSPURG-UWVGGRQHSA-N 1 3 303.219 2.846 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC000414826900 428423725 /nfs/dbraw/zinc/42/37/25/428423725.db2.gz JXYREXZNOCAZNN-HUUCEWRRSA-N 1 3 303.450 2.555 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000414826900 428423728 /nfs/dbraw/zinc/42/37/28/428423728.db2.gz JXYREXZNOCAZNN-HUUCEWRRSA-N 1 3 303.450 2.555 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@H](C)Cc1ccc(Br)cc1F ZINC000414831576 428426739 /nfs/dbraw/zinc/42/67/39/428426739.db2.gz DDYCXGOCLUWXOC-GHMZBOCLSA-N 1 3 317.246 2.964 20 0 DFADHO Fc1cccc(Br)c1CNCC[C@H]1CC[NH2+]C1 ZINC000414832294 428427570 /nfs/dbraw/zinc/42/75/70/428427570.db2.gz OKWNGMJUGXEZLE-SNVBAGLBSA-N 1 3 301.203 2.677 20 0 DFADHO CCC[N@H+](Cc1cc(-n2ccnc2)cs1)C1CCNCC1 ZINC000347072499 428432883 /nfs/dbraw/zinc/43/28/83/428432883.db2.gz QYOJUCUODOHULE-UHFFFAOYSA-N 1 3 304.463 2.898 20 0 DFADHO CCC[N@@H+](Cc1cc(-n2ccnc2)cs1)C1CCNCC1 ZINC000347072499 428432887 /nfs/dbraw/zinc/43/28/87/428432887.db2.gz QYOJUCUODOHULE-UHFFFAOYSA-N 1 3 304.463 2.898 20 0 DFADHO CCCN(Cc1cc(-n2ccnc2)cs1)C1CC[NH2+]CC1 ZINC000347072499 428432892 /nfs/dbraw/zinc/43/28/92/428432892.db2.gz QYOJUCUODOHULE-UHFFFAOYSA-N 1 3 304.463 2.898 20 0 DFADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000392196586 428481840 /nfs/dbraw/zinc/48/18/40/428481840.db2.gz DGQUMGAMOOATEW-HZPDHXFCSA-N 1 3 323.481 2.674 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](CNCc2cc(O)ccc2Br)C1 ZINC000414991757 428481771 /nfs/dbraw/zinc/48/17/71/428481771.db2.gz JPRBVRPLTCQQEK-PWSUYJOCSA-N 1 3 313.239 2.762 20 0 DFADHO Brc1ccsc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415003062 428485620 /nfs/dbraw/zinc/48/56/20/428485620.db2.gz FJKPKZISVDWTFZ-CMPLNLGQSA-N 1 3 315.280 2.988 20 0 DFADHO Cn1c2cc(Cl)ccc2nc1CNC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414998172 428485698 /nfs/dbraw/zinc/48/56/98/428485698.db2.gz IAFPZAUJAUTDRE-WCQYABFASA-N 1 3 306.841 2.834 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](CNCc2csc(-c3ccccn3)n2)C1 ZINC000414999354 428485816 /nfs/dbraw/zinc/48/58/16/428485816.db2.gz RSPJJSBCQZMZNZ-QWHCGFSZSA-N 1 3 302.447 2.812 20 0 DFADHO CC(C)C[C@H](N[C@H](C)c1cccc(F)c1)C(=O)NCC[NH+](C)C ZINC000347193856 428488515 /nfs/dbraw/zinc/48/85/15/428488515.db2.gz JKUIMPXYDLZRNW-PBHICJAKSA-N 1 3 323.456 2.569 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCCOC3)CC2)C[C@@H](C)O1 ZINC000342922422 428490515 /nfs/dbraw/zinc/49/05/15/428490515.db2.gz WHDFEYCMHUOQJQ-LMMKCTJWSA-N 1 3 324.509 2.624 20 0 DFADHO CCn1nc(CNC[C@H]2CC[C@H](C[NH3+])CC2)c2ccccc21 ZINC000415019213 428491383 /nfs/dbraw/zinc/49/13/83/428491383.db2.gz DMQHDAHDLVRLJE-SHTZXODSSA-N 1 3 300.450 2.911 20 0 DFADHO CN(Cc1ccc(F)cn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000372730443 428496182 /nfs/dbraw/zinc/49/61/82/428496182.db2.gz WVUFOGCMWPQYIO-UHFFFAOYSA-N 1 3 314.408 2.964 20 0 DFADHO Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CNCCCO1 ZINC000415046236 428498566 /nfs/dbraw/zinc/49/85/66/428498566.db2.gz URUQTFAHDAYJMG-UKPHBRMFSA-N 1 3 308.853 2.944 20 0 DFADHO Clc1ccccc1[C@@H]1CCC[C@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000415046236 428498572 /nfs/dbraw/zinc/49/85/72/428498572.db2.gz URUQTFAHDAYJMG-UKPHBRMFSA-N 1 3 308.853 2.944 20 0 DFADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000415041581 428498916 /nfs/dbraw/zinc/49/89/16/428498916.db2.gz PMVGKYFICYGNNJ-NQYYFHDYSA-N 1 3 302.462 2.927 20 0 DFADHO C[C@H]1C[C@@H]([NH2+][C@H]2CCCN[C@H]2C)CCN1Cc1ccccc1 ZINC000396622637 428501214 /nfs/dbraw/zinc/50/12/14/428501214.db2.gz VGNBOPACNOYJAK-CAMMJAKZSA-N 1 3 301.478 2.770 20 0 DFADHO Cc1cc(C)n2c(CN[C@H](CCC[NH3+])c3ccccc3)cnc2n1 ZINC000415060286 428505809 /nfs/dbraw/zinc/50/58/09/428505809.db2.gz WERHHXPRLWRLMP-GOSISDBHSA-N 1 3 323.444 2.916 20 0 DFADHO [NH3+]CCC[C@@H](NCc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000415062123 428507468 /nfs/dbraw/zinc/50/74/68/428507468.db2.gz ZSHCZXRZTWSZHH-LJQANCHMSA-N 1 3 321.428 2.837 20 0 DFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CN1C1CC1 ZINC000372967065 428508076 /nfs/dbraw/zinc/50/80/76/428508076.db2.gz SWWJDLFHQYTAHK-RKVPGOIHSA-N 1 3 319.493 2.525 20 0 DFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CN1C1CC1 ZINC000372967065 428508077 /nfs/dbraw/zinc/50/80/77/428508077.db2.gz SWWJDLFHQYTAHK-RKVPGOIHSA-N 1 3 319.493 2.525 20 0 DFADHO Fc1ccc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000415074882 428509276 /nfs/dbraw/zinc/50/92/76/428509276.db2.gz AYDBPFPXAXMCGG-IMJJTQAJSA-N 1 3 310.388 2.854 20 0 DFADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000397338207 428510780 /nfs/dbraw/zinc/51/07/80/428510780.db2.gz CLDUSZJNSPYPAX-MCIONIFRSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1CN ZINC000397338207 428510784 /nfs/dbraw/zinc/51/07/84/428510784.db2.gz CLDUSZJNSPYPAX-MCIONIFRSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1CN ZINC000397338207 428510789 /nfs/dbraw/zinc/51/07/89/428510789.db2.gz CLDUSZJNSPYPAX-MCIONIFRSA-N 1 3 323.868 2.974 20 0 DFADHO Cc1nnsc1CNCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397487098 428511412 /nfs/dbraw/zinc/51/14/12/428511412.db2.gz DBZQRWZOBMSWAT-UHFFFAOYSA-N 1 3 316.474 2.848 20 0 DFADHO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000357392413 428511379 /nfs/dbraw/zinc/51/13/79/428511379.db2.gz SWONOUOJXWTPAW-HZPDHXFCSA-N 1 3 305.470 2.523 20 0 DFADHO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000357392413 428511384 /nfs/dbraw/zinc/51/13/84/428511384.db2.gz SWONOUOJXWTPAW-HZPDHXFCSA-N 1 3 305.470 2.523 20 0 DFADHO C[C@@H](NCCc1ccccc1OC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000415078886 428512256 /nfs/dbraw/zinc/51/22/56/428512256.db2.gz HBZPNEMUTPIEPI-YPMHNXCESA-N 1 3 302.340 2.715 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1(C)CC1 ZINC000397484310 428512502 /nfs/dbraw/zinc/51/25/02/428512502.db2.gz ACWJOVLJPUWJEM-INIZCTEOSA-N 1 3 302.462 2.792 20 0 DFADHO C[C@H](C[C@H]1CCC[NH2+]1)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000415079168 428512952 /nfs/dbraw/zinc/51/29/52/428512952.db2.gz HSASFWCMPXOWOD-JTDSTZFVSA-N 1 3 316.493 2.727 20 0 DFADHO Cc1cc(C)n(-c2ccccc2C[NH2+]C[C@H](N)CC(C)C)n1 ZINC000415076782 428513335 /nfs/dbraw/zinc/51/33/35/428513335.db2.gz BKFIZWGQFUGJTL-QGZVFWFLSA-N 1 3 300.450 2.952 20 0 DFADHO Clc1ccccc1N1CCC[C@H](NC[C@H]2CCC[NH2+]C2)C1 ZINC000415085203 428515351 /nfs/dbraw/zinc/51/53/51/428515351.db2.gz QMQRHZFDBAZUMC-GJZGRUSLSA-N 1 3 307.869 2.898 20 0 DFADHO c1sc(CCCNC[C@@H]2CCC[NH2+]C2)nc1-c1ccncc1 ZINC000415088623 428516372 /nfs/dbraw/zinc/51/63/72/428516372.db2.gz WJCHLLOVZUFXSU-CQSZACIVSA-N 1 3 316.474 2.727 20 0 DFADHO c1sc(CCC[NH2+]C[C@@H]2CCCNC2)nc1-c1ccncc1 ZINC000415088623 428516377 /nfs/dbraw/zinc/51/63/77/428516377.db2.gz WJCHLLOVZUFXSU-CQSZACIVSA-N 1 3 316.474 2.727 20 0 DFADHO C[C@H]([NH2+]C1CCNCC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000415087823 428516650 /nfs/dbraw/zinc/51/66/50/428516650.db2.gz VASUIDILOVZOHE-KXBFYZLASA-N 1 3 318.461 2.653 20 0 DFADHO C[C@@]1(CNCCCc2nc(-c3ccncc3)cs2)CC[NH2+]C1 ZINC000415088232 428516738 /nfs/dbraw/zinc/51/67/38/428516738.db2.gz VVMLBKFSMBIAQQ-KRWDZBQOSA-N 1 3 316.474 2.727 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN[C@@H]1C ZINC000398113437 428517706 /nfs/dbraw/zinc/51/77/06/428517706.db2.gz DVDTXPIMNNXKQT-ZAWLATJESA-N 1 3 301.478 2.627 20 0 DFADHO C[C@@H](NC[C@@H]1CC[NH2+][C@H](C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000415094032 428519845 /nfs/dbraw/zinc/51/98/45/428519845.db2.gz DEHJXYZLGWMUSP-JHJVBQTASA-N 1 3 318.396 2.914 20 0 DFADHO CC(C)(C)C[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1(C)C ZINC000415115407 428524483 /nfs/dbraw/zinc/52/44/83/428524483.db2.gz DRPMNHXBODIPHB-HOTGVXAUSA-N 1 3 323.525 2.720 20 0 DFADHO CC(C)(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1(C)C ZINC000415115407 428524486 /nfs/dbraw/zinc/52/44/86/428524486.db2.gz DRPMNHXBODIPHB-HOTGVXAUSA-N 1 3 323.525 2.720 20 0 DFADHO CN1CCN(CC2(C)CC[NH+](CCC3CCCC3)CC2)CC1 ZINC000373253505 428528946 /nfs/dbraw/zinc/52/89/46/428528946.db2.gz ANYHIPSOSJKYIE-UHFFFAOYSA-N 1 3 307.526 2.916 20 0 DFADHO CCOc1ccccc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415122001 428529605 /nfs/dbraw/zinc/52/96/05/428529605.db2.gz JBGCYUSNIRUXAT-MJGOQNOKSA-N 1 3 318.461 2.804 20 0 DFADHO COc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1C ZINC000415123556 428530380 /nfs/dbraw/zinc/53/03/80/428530380.db2.gz LFBPKFKRTDZZLM-MJGOQNOKSA-N 1 3 318.461 2.722 20 0 DFADHO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCOCCN(C)C ZINC000360882748 428475658 /nfs/dbraw/zinc/47/56/58/428475658.db2.gz GNYJYDFZPDHVPJ-ZDUSSCGKSA-N 1 3 318.383 2.804 20 0 DFADHO CN(C)CCOC1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000353529677 428581633 /nfs/dbraw/zinc/58/16/33/428581633.db2.gz KJXOVOLVVNMXAZ-UHFFFAOYSA-N 1 3 301.434 2.711 20 0 DFADHO CC(=O)N1CCC[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000373466594 428583720 /nfs/dbraw/zinc/58/37/20/428583720.db2.gz DDJWZIBPWXSPFN-KRWDZBQOSA-N 1 3 321.509 2.632 20 0 DFADHO Cc1cc(F)ccc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415136548 428534263 /nfs/dbraw/zinc/53/42/63/428534263.db2.gz XFTUFBMDNGWDDQ-ZWKOTPCHSA-N 1 3 306.425 2.852 20 0 DFADHO Fc1ccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000415139999 428534357 /nfs/dbraw/zinc/53/43/57/428534357.db2.gz MNAHRIVCMFLFII-DSLXNQLJSA-N 1 3 317.452 2.915 20 0 DFADHO Fc1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000415140001 428535431 /nfs/dbraw/zinc/53/54/31/428535431.db2.gz MNAHRIVCMFLFII-JCHJZTRSSA-N 1 3 317.452 2.915 20 0 DFADHO C[C@@H](NCC1(N(C)Cc2ccccc2)CCC1)[C@H]1CC[NH2+]C1 ZINC000400365876 428544487 /nfs/dbraw/zinc/54/44/87/428544487.db2.gz DZQUPNTVGNDDDB-AEFFLSMTSA-N 1 3 301.478 2.629 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1cccs1 ZINC000353456370 428544990 /nfs/dbraw/zinc/54/49/90/428544990.db2.gz VSLARSYPDMLRKM-KLHDSHLOSA-N 1 3 307.507 2.813 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1cccs1 ZINC000353456370 428544991 /nfs/dbraw/zinc/54/49/91/428544991.db2.gz VSLARSYPDMLRKM-KLHDSHLOSA-N 1 3 307.507 2.813 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)c1cccs1 ZINC000353456370 428544996 /nfs/dbraw/zinc/54/49/96/428544996.db2.gz VSLARSYPDMLRKM-KLHDSHLOSA-N 1 3 307.507 2.813 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400502406 428545545 /nfs/dbraw/zinc/54/55/45/428545545.db2.gz IXGXWBJMQPWEBR-MBNYWOFBSA-N 1 3 311.267 2.968 20 0 DFADHO C[C@H](NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400757438 428549446 /nfs/dbraw/zinc/54/94/46/428549446.db2.gz XIIYKCRLCURUST-WDSOQIARSA-N 1 3 301.478 2.629 20 0 DFADHO Brc1sccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401070453 428550380 /nfs/dbraw/zinc/55/03/80/428550380.db2.gz KCEZFJAFERBHJF-ZMLRMANQSA-N 1 3 315.280 2.988 20 0 DFADHO Cc1cc(C)cc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000343737686 428570194 /nfs/dbraw/zinc/57/01/94/428570194.db2.gz RNBGPXHLVXFPRC-SFHVURJKSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1cc(C)cc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000343737686 428570197 /nfs/dbraw/zinc/57/01/97/428570197.db2.gz RNBGPXHLVXFPRC-SFHVURJKSA-N 1 3 315.505 2.904 20 0 DFADHO COC1(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)CCCC1 ZINC000361580060 428578793 /nfs/dbraw/zinc/57/87/93/428578793.db2.gz VSKIJOFLUNPMFI-CALCHBBNSA-N 1 3 324.509 2.767 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccccc1CCN(C)C ZINC000415569868 428599336 /nfs/dbraw/zinc/59/93/36/428599336.db2.gz LLHQKVSWAVNDSO-WMLDXEAASA-N 1 3 318.465 2.524 20 0 DFADHO COc1ccccc1/C=C\CN1CCC(OCC[NH+](C)C)CC1 ZINC000353571916 428600032 /nfs/dbraw/zinc/60/00/32/428600032.db2.gz JBLDOYUFDVCCPC-VURMDHGXSA-N 1 3 318.461 2.751 20 0 DFADHO C[NH+](C)CCOCCN[C@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000353595358 428614456 /nfs/dbraw/zinc/61/44/56/428614456.db2.gz JQZZRRGWLQWWJQ-ZWKOTPCHSA-N 1 3 324.440 2.604 20 0 DFADHO CNCc1ccccc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000415894925 428619106 /nfs/dbraw/zinc/61/91/06/428619106.db2.gz AIAZDUMXWKGWAQ-UHFFFAOYSA-N 1 3 306.454 2.648 20 0 DFADHO CCN(CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)CCC(F)(F)F ZINC000353608005 428619137 /nfs/dbraw/zinc/61/91/37/428619137.db2.gz QUOHMZNVIKGBBM-KFWWJZLASA-N 1 3 321.431 2.723 20 0 DFADHO CCN(CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)CCC(F)(F)F ZINC000353608005 428619141 /nfs/dbraw/zinc/61/91/41/428619141.db2.gz QUOHMZNVIKGBBM-KFWWJZLASA-N 1 3 321.431 2.723 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)CC(C)C)c1 ZINC000415901028 428620610 /nfs/dbraw/zinc/62/06/10/428620610.db2.gz BKLLHCFTMHYHFG-UHFFFAOYSA-N 1 3 320.481 2.848 20 0 DFADHO COc1ccc(CN2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cn1 ZINC000362107077 428623624 /nfs/dbraw/zinc/62/36/24/428623624.db2.gz SRGVFSQKTFBCPQ-INIZCTEOSA-N 1 3 315.461 2.787 20 0 DFADHO COc1ccc(CN2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)cn1 ZINC000362107077 428623627 /nfs/dbraw/zinc/62/36/27/428623627.db2.gz SRGVFSQKTFBCPQ-INIZCTEOSA-N 1 3 315.461 2.787 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)C(C)C ZINC000415921914 428626351 /nfs/dbraw/zinc/62/63/51/428626351.db2.gz RVZLWFXKKRYIDC-UHFFFAOYSA-N 1 3 306.454 2.600 20 0 DFADHO C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000415919598 428627409 /nfs/dbraw/zinc/62/74/09/428627409.db2.gz NLPODAIJZCLJNE-OAHLLOKOSA-N 1 3 318.465 2.648 20 0 DFADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358705412 428634787 /nfs/dbraw/zinc/63/47/87/428634787.db2.gz MFZJSFBRVPMQGE-DLBZAZTESA-N 1 3 323.525 2.735 20 0 DFADHO CCCCn1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c(C)n1 ZINC000353628790 428631914 /nfs/dbraw/zinc/63/19/14/428631914.db2.gz BWAZIROJPFGQDL-KZNAEPCWSA-N 1 3 304.482 2.954 20 0 DFADHO CNCc1cccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000415945187 428633363 /nfs/dbraw/zinc/63/33/63/428633363.db2.gz RAWFHFKQFWSNPA-UHFFFAOYSA-N 1 3 318.465 2.648 20 0 DFADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CCC12CCC2 ZINC000343937087 428595967 /nfs/dbraw/zinc/59/59/67/428595967.db2.gz PPAIGPXYJUNHEV-KRWDZBQOSA-N 1 3 303.450 2.834 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000416001904 428645875 /nfs/dbraw/zinc/64/58/75/428645875.db2.gz CNMXUJQMCNVJQK-ZDUSSCGKSA-N 1 3 304.438 2.532 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000416001904 428645880 /nfs/dbraw/zinc/64/58/80/428645880.db2.gz CNMXUJQMCNVJQK-ZDUSSCGKSA-N 1 3 304.438 2.532 20 0 DFADHO Cc1cccc(NC[C@H]2CCCN2CC[C@@H]2CCC[N@H+]2C)n1 ZINC000362400187 428733748 /nfs/dbraw/zinc/73/37/48/428733748.db2.gz FQJDYSASXJRPEC-DLBZAZTESA-N 1 3 302.466 2.751 20 0 DFADHO Cc1cccc(NC[C@H]2CCCN2CC[C@@H]2CCC[N@@H+]2C)n1 ZINC000362400187 428733752 /nfs/dbraw/zinc/73/37/52/428733752.db2.gz FQJDYSASXJRPEC-DLBZAZTESA-N 1 3 302.466 2.751 20 0 DFADHO COc1cc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1F ZINC000348355954 428718568 /nfs/dbraw/zinc/71/85/68/428718568.db2.gz NDDBVBQKZCSLHP-CQSZACIVSA-N 1 3 323.456 2.511 20 0 DFADHO CCn1cc(CC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cn1 ZINC000348376060 428725989 /nfs/dbraw/zinc/72/59/89/428725989.db2.gz IYCRZYZPQBZYMN-DOTOQJQBSA-N 1 3 304.482 2.688 20 0 DFADHO CCn1cc(CCN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000348376060 428725995 /nfs/dbraw/zinc/72/59/95/428725995.db2.gz IYCRZYZPQBZYMN-DOTOQJQBSA-N 1 3 304.482 2.688 20 0 DFADHO CCn1cc(CCN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000348376060 428725998 /nfs/dbraw/zinc/72/59/98/428725998.db2.gz IYCRZYZPQBZYMN-DOTOQJQBSA-N 1 3 304.482 2.688 20 0 DFADHO CC1CC[NH+](CCCCN[C@@H]2CCCc3nn(C)cc32)CC1 ZINC000358915016 428729291 /nfs/dbraw/zinc/72/92/91/428729291.db2.gz NJKAFFSHHHJABV-QGZVFWFLSA-N 1 3 304.482 2.899 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](CO)c2ccccc2Cl)[C@H](C)C1 ZINC000348403399 428733215 /nfs/dbraw/zinc/73/32/15/428733215.db2.gz LVGGUHNOEFFESI-KEYYUXOJSA-N 1 3 310.869 2.736 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](CO)c2ccccc2Cl)[C@H](C)C1 ZINC000348403399 428733218 /nfs/dbraw/zinc/73/32/18/428733218.db2.gz LVGGUHNOEFFESI-KEYYUXOJSA-N 1 3 310.869 2.736 20 0 DFADHO CC(C)N1CCC[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416201494 428690883 /nfs/dbraw/zinc/69/08/83/428690883.db2.gz GEPORBPTIOULJP-ZWKOTPCHSA-N 1 3 317.477 2.668 20 0 DFADHO CCC[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353753636 428694924 /nfs/dbraw/zinc/69/49/24/428694924.db2.gz MCTLREPFHZMMQJ-NJAFHUGGSA-N 1 3 317.477 2.531 20 0 DFADHO CCC[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353753636 428694928 /nfs/dbraw/zinc/69/49/28/428694928.db2.gz MCTLREPFHZMMQJ-NJAFHUGGSA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416232389 428695585 /nfs/dbraw/zinc/69/55/85/428695585.db2.gz FOAJIJHLEJJFCX-DOTOQJQBSA-N 1 3 305.466 2.524 20 0 DFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416232389 428695588 /nfs/dbraw/zinc/69/55/88/428695588.db2.gz FOAJIJHLEJJFCX-DOTOQJQBSA-N 1 3 305.466 2.524 20 0 DFADHO COCCCOc1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000353869354 428755937 /nfs/dbraw/zinc/75/59/37/428755937.db2.gz QRGWDSXPMZWRRE-MAUKXSAKSA-N 1 3 306.450 2.532 20 0 DFADHO COCCCOc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000353869354 428755942 /nfs/dbraw/zinc/75/59/42/428755942.db2.gz QRGWDSXPMZWRRE-MAUKXSAKSA-N 1 3 306.450 2.532 20 0 DFADHO COCCCOc1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000353869356 428756280 /nfs/dbraw/zinc/75/62/80/428756280.db2.gz QRGWDSXPMZWRRE-QAPCUYQASA-N 1 3 306.450 2.532 20 0 DFADHO COCCCOc1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000353869356 428756284 /nfs/dbraw/zinc/75/62/84/428756284.db2.gz QRGWDSXPMZWRRE-QAPCUYQASA-N 1 3 306.450 2.532 20 0 DFADHO CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1)CC(C)C ZINC000359014568 428772208 /nfs/dbraw/zinc/77/22/08/428772208.db2.gz VDCSPFRGCYLDJG-SFHVURJKSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1)CC(C)C ZINC000359014568 428772211 /nfs/dbraw/zinc/77/22/11/428772211.db2.gz VDCSPFRGCYLDJG-SFHVURJKSA-N 1 3 323.525 2.687 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cccc(C)n2)[C@H](C)C1 ZINC000359018763 428775556 /nfs/dbraw/zinc/77/55/56/428775556.db2.gz YZPOWTDHMRXMJV-APWZRJJASA-N 1 3 319.493 2.659 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCc2cccc(C)n2)[C@H](C)C1 ZINC000359018763 428775562 /nfs/dbraw/zinc/77/55/62/428775562.db2.gz YZPOWTDHMRXMJV-APWZRJJASA-N 1 3 319.493 2.659 20 0 DFADHO COC[C@@](C)(CCO)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411320790 428776624 /nfs/dbraw/zinc/77/66/24/428776624.db2.gz CDUJXOQXRUARHK-LJQANCHMSA-N 1 3 320.477 2.550 20 0 DFADHO OC[C@@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411150287 428749908 /nfs/dbraw/zinc/74/99/08/428749908.db2.gz VVYZTCCAYUJRMJ-LJQANCHMSA-N 1 3 302.462 2.877 20 0 DFADHO CCOC[C@@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000375305096 428848321 /nfs/dbraw/zinc/84/83/21/428848321.db2.gz YVQGTTSQKVBGGS-OAHLLOKOSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CC2CCN(C)CC2)C1 ZINC000362669183 428798716 /nfs/dbraw/zinc/79/87/16/428798716.db2.gz UHTKWDQGAIPKMM-SOLBZPMBSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CC2CCN(C)CC2)C1 ZINC000362669183 428798720 /nfs/dbraw/zinc/79/87/20/428798720.db2.gz UHTKWDQGAIPKMM-SOLBZPMBSA-N 1 3 321.509 2.582 20 0 DFADHO CNC(=O)[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)C(C)C ZINC000411470416 428803811 /nfs/dbraw/zinc/80/38/11/428803811.db2.gz OJSGQOOQHTXDPF-GOSISDBHSA-N 1 3 317.477 2.533 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2c(C)cccc2C)CC1 ZINC000411526092 428811450 /nfs/dbraw/zinc/81/14/50/428811450.db2.gz LUKSDEFJZUVYHN-MRXNPFEDSA-N 1 3 317.477 2.555 20 0 DFADHO CC(C)(C)c1ccc(CCNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000359100693 428816574 /nfs/dbraw/zinc/81/65/74/428816574.db2.gz XORMDMSGDMXEBW-SFHVURJKSA-N 1 3 304.478 2.573 20 0 DFADHO C[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC[C@H]1O ZINC000411568506 428819347 /nfs/dbraw/zinc/81/93/47/428819347.db2.gz LBKIJANSAYASSG-QFBILLFUSA-N 1 3 302.462 2.875 20 0 DFADHO CC[C@H]1CCCC[C@@H]1N(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411599731 428823265 /nfs/dbraw/zinc/82/32/65/428823265.db2.gz COJQVPOITCRGDG-WMZOPIPTSA-N 1 3 323.525 2.876 20 0 DFADHO c1ccc2c(NC[C@H]3CCC[C@@H]3N3CCOCC3)cc[nH+]c2c1 ZINC000363007855 428840020 /nfs/dbraw/zinc/84/00/20/428840020.db2.gz PBJKRRAKAUMGPQ-BEFAXECRSA-N 1 3 311.429 2.570 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CCN1CCC1CC[NH2+]CC1 ZINC000359200529 428862260 /nfs/dbraw/zinc/86/22/60/428862260.db2.gz YWZSZRNCVUOQKN-KRWDZBQOSA-N 1 3 301.478 2.582 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CCCCCF)CC2)C[C@H](C)O1 ZINC000375393126 428871625 /nfs/dbraw/zinc/87/16/25/428871625.db2.gz XLXCWLAVRJXZRW-IYBDPMFKSA-N 1 3 300.462 2.947 20 0 DFADHO C[N@@H+]1CCC[C@H](N2CCN(CCCCc3ccccc3)CC2)C1 ZINC000375401683 428876211 /nfs/dbraw/zinc/87/62/11/428876211.db2.gz HKXYVPRAOKIIMS-FQEVSTJZSA-N 1 3 315.505 2.721 20 0 DFADHO C[N@H+]1CCC[C@H](N2CCN(CCCCc3ccccc3)CC2)C1 ZINC000375401683 428876215 /nfs/dbraw/zinc/87/62/15/428876215.db2.gz HKXYVPRAOKIIMS-FQEVSTJZSA-N 1 3 315.505 2.721 20 0 DFADHO Cc1cccc([C@H](C)NCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000411884915 428878961 /nfs/dbraw/zinc/87/89/61/428878961.db2.gz XBPZQLCWUMVELX-INIZCTEOSA-N 1 3 317.477 2.635 20 0 DFADHO COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)c(C)n1 ZINC000354166322 428894564 /nfs/dbraw/zinc/89/45/64/428894564.db2.gz KUARYDYOUPZDBY-SFHVURJKSA-N 1 3 303.450 2.625 20 0 DFADHO COc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)c(C)n1 ZINC000354166322 428894568 /nfs/dbraw/zinc/89/45/68/428894568.db2.gz KUARYDYOUPZDBY-SFHVURJKSA-N 1 3 303.450 2.625 20 0 DFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN(C)C)cc2)[C@H]1C ZINC000354163305 428895359 /nfs/dbraw/zinc/89/53/59/428895359.db2.gz MFFXYURNEIKNEG-JCGIZDLHSA-N 1 3 318.461 2.816 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(OC)c1 ZINC000349029510 428902737 /nfs/dbraw/zinc/90/27/37/428902737.db2.gz JOXNQJJZMFVSRF-GOSISDBHSA-N 1 3 319.493 2.543 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(OC)c1 ZINC000349029510 428902742 /nfs/dbraw/zinc/90/27/42/428902742.db2.gz JOXNQJJZMFVSRF-GOSISDBHSA-N 1 3 319.493 2.543 20 0 DFADHO C[C@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)N1CCCCCC1 ZINC000345505072 428913496 /nfs/dbraw/zinc/91/34/96/428913496.db2.gz JLEYIJWQSWLQBE-BRWVUGGUSA-N 1 3 309.498 2.630 20 0 DFADHO CC(C)[C@H](CNC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000354206482 428915402 /nfs/dbraw/zinc/91/54/02/428915402.db2.gz CPWGUWALBXGQNF-OALUTQOASA-N 1 3 304.478 2.863 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000349082333 428917371 /nfs/dbraw/zinc/91/73/71/428917371.db2.gz QSRYJKGHQGOWTK-INIZCTEOSA-N 1 3 309.498 2.632 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2)C[C@H]1C ZINC000354212007 428919003 /nfs/dbraw/zinc/91/90/03/428919003.db2.gz ZBHBPSCQTJEIRJ-WBVHZDCISA-N 1 3 303.450 2.820 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2)C[C@H]1C ZINC000354212007 428919007 /nfs/dbraw/zinc/91/90/07/428919007.db2.gz ZBHBPSCQTJEIRJ-WBVHZDCISA-N 1 3 303.450 2.820 20 0 DFADHO COc1ccc([C@H](O)[C@H]2CCCN2CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000363460017 428921321 /nfs/dbraw/zinc/92/13/21/428921321.db2.gz VQJVBYHHHSGEKF-QRQLOZEOSA-N 1 3 318.461 2.677 20 0 DFADHO COc1ccc([C@H](O)[C@H]2CCCN2CC[C@H]2CCC[N@H+]2C)cc1 ZINC000363460017 428921325 /nfs/dbraw/zinc/92/13/25/428921325.db2.gz VQJVBYHHHSGEKF-QRQLOZEOSA-N 1 3 318.461 2.677 20 0 DFADHO Cc1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)c(C)c1 ZINC000349296280 428956785 /nfs/dbraw/zinc/95/67/85/428956785.db2.gz LKXUQQOKAMDAKB-SFHVURJKSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)c(C)c1 ZINC000349296280 428956788 /nfs/dbraw/zinc/95/67/88/428956788.db2.gz LKXUQQOKAMDAKB-SFHVURJKSA-N 1 3 315.505 2.904 20 0 DFADHO CN1CCC([NH+]2CCC(CCNCc3ccco3)CC2)CC1 ZINC000363661404 428961977 /nfs/dbraw/zinc/96/19/77/428961977.db2.gz JNXMGGNZVZILSU-UHFFFAOYSA-N 1 3 305.466 2.566 20 0 DFADHO CN(C)C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000423775925 429017161 /nfs/dbraw/zinc/01/71/61/429017161.db2.gz PTGOKXBMFVUCHG-NUEKZKHPSA-N 1 3 323.868 2.576 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000432938208 428975059 /nfs/dbraw/zinc/97/50/59/428975059.db2.gz KPNLTIOORRPEBZ-CALCHBBNSA-N 1 3 324.509 2.624 20 0 DFADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccco1 ZINC000423574418 428976286 /nfs/dbraw/zinc/97/62/86/428976286.db2.gz PKOQMPZPVKIDSW-MRXNPFEDSA-N 1 3 313.445 2.924 20 0 DFADHO c1ccc([C@@H]2C[C@@H]2CN2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000349561341 429005474 /nfs/dbraw/zinc/00/54/74/429005474.db2.gz IHUZYYGOZUWRDY-UXHICEINSA-N 1 3 313.489 2.504 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CCCCC1 ZINC000354809738 429009487 /nfs/dbraw/zinc/00/94/87/429009487.db2.gz IVSZEMXJSAKLOV-ZWKOTPCHSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CCCCC1 ZINC000354809738 429009491 /nfs/dbraw/zinc/00/94/91/429009491.db2.gz IVSZEMXJSAKLOV-ZWKOTPCHSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423440804 429089342 /nfs/dbraw/zinc/08/93/42/429089342.db2.gz OVYQEMWJDDDLBR-RYGJVYDSSA-N 1 3 324.472 2.970 20 0 DFADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423456544 429091176 /nfs/dbraw/zinc/09/11/76/429091176.db2.gz DNGHDFUELXUVJO-DZGCQCFKSA-N 1 3 324.490 2.791 20 0 DFADHO CC(C)N1CCC([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000424127891 429094442 /nfs/dbraw/zinc/09/44/42/429094442.db2.gz DQJZNYZUINCYRF-UHFFFAOYSA-N 1 3 312.360 2.971 20 0 DFADHO C[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCCO1 ZINC000423476126 429095444 /nfs/dbraw/zinc/09/54/44/429095444.db2.gz QPYIJQZVOCOVAR-AETAKHFUSA-N 1 3 306.425 2.676 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@H]1CCCO1 ZINC000423476126 429095445 /nfs/dbraw/zinc/09/54/45/429095445.db2.gz QPYIJQZVOCOVAR-AETAKHFUSA-N 1 3 306.425 2.676 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@H]1CCOC1 ZINC000423478624 429095487 /nfs/dbraw/zinc/09/54/87/429095487.db2.gz UEWNKEOKGWLAPN-GRZALLJUSA-N 1 3 306.425 2.533 20 0 DFADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(-n3cnnn3)cc2)cc1 ZINC000423291779 429057883 /nfs/dbraw/zinc/05/78/83/429057883.db2.gz JUKRHAAADALSTE-ZIAGYGMSSA-N 1 3 322.416 2.533 20 0 DFADHO CCC([NH3+])(CC)CNC1CCC2(CC1)c1ccccc1NC2=O ZINC000423287498 429058563 /nfs/dbraw/zinc/05/85/63/429058563.db2.gz MQYPUCDYSYFWDO-UHFFFAOYSA-N 1 3 315.461 2.926 20 0 DFADHO C[C@@H](C[NH3+])CN[C@H]1CCc2c1ccc(F)c2Br ZINC000423308130 429059743 /nfs/dbraw/zinc/05/97/43/429059743.db2.gz NXUCKNOLPJNNIN-UFBFGSQYSA-N 1 3 301.203 2.760 20 0 DFADHO CCC[NH+]1CCC(NC(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423303672 429059845 /nfs/dbraw/zinc/05/98/45/429059845.db2.gz JFBABCOPMIDDAI-KRWDZBQOSA-N 1 3 317.477 2.703 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000423309772 429060576 /nfs/dbraw/zinc/06/05/76/429060576.db2.gz QQVPDHVCGLLGPB-QGZVFWFLSA-N 1 3 309.498 2.666 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423312522 429061916 /nfs/dbraw/zinc/06/19/16/429061916.db2.gz DGXROVQCWLCLEM-LRDDRELGSA-N 1 3 304.438 2.604 20 0 DFADHO C[C@H](Cc1ccc(F)cc1Br)NC[C@H]([NH3+])C1CC1 ZINC000423311549 429063173 /nfs/dbraw/zinc/06/31/73/429063173.db2.gz BYPNQQKDWJNTJA-OTYXRUKQSA-N 1 3 315.230 2.846 20 0 DFADHO [NH3+][C@H](CN[C@@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000423319073 429063454 /nfs/dbraw/zinc/06/34/54/429063454.db2.gz LNVWTKZOXSQBAL-HUUCEWRRSA-N 1 3 309.251 2.633 20 0 DFADHO Brc1cccc2c1C[C@@H](NC[C@H]1CC[NH2+]C1)CC2 ZINC000423346974 429069700 /nfs/dbraw/zinc/06/97/00/429069700.db2.gz QLHCFPUXTYOILS-AAEUAGOBSA-N 1 3 309.251 2.506 20 0 DFADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CCCOCC2)cc1F ZINC000423361068 429071351 /nfs/dbraw/zinc/07/13/51/429071351.db2.gz GOGHITKGNUSSOO-ZQIUZPCESA-N 1 3 310.388 2.569 20 0 DFADHO CCc1ccccc1[C@H](N)CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000423990350 429071384 /nfs/dbraw/zinc/07/13/84/429071384.db2.gz ZEAJIPWDVIMLGE-FGTMMUONSA-N 1 3 317.477 2.663 20 0 DFADHO CC[N@H+](CCNC(=O)C(C)(C)[C@H](N)c1ccccc1)C(C)C ZINC000423383784 429077509 /nfs/dbraw/zinc/07/75/09/429077509.db2.gz FFNBOWHXCKJVIB-MRXNPFEDSA-N 1 3 305.466 2.559 20 0 DFADHO CC[N@@H+](CCNC(=O)C(C)(C)[C@H](N)c1ccccc1)C(C)C ZINC000423383784 429077510 /nfs/dbraw/zinc/07/75/10/429077510.db2.gz FFNBOWHXCKJVIB-MRXNPFEDSA-N 1 3 305.466 2.559 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)cc1OC ZINC000423394635 429079829 /nfs/dbraw/zinc/07/98/29/429079829.db2.gz MVNABYGWUVANDW-FQLMCAECSA-N 1 3 306.450 2.783 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)N[C@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000423384016 429080271 /nfs/dbraw/zinc/08/02/71/429080271.db2.gz PXGKJQVEGNMKFN-CTASWTNQSA-N 1 3 306.450 2.926 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H](CN)c1ccc2ccccc2c1 ZINC000423408381 429080742 /nfs/dbraw/zinc/08/07/42/429080742.db2.gz XJZXBPNWRIMWCO-VOBQZIQPSA-N 1 3 309.457 2.912 20 0 DFADHO CC[NH+]1CCC(CCNC(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000423408039 429081247 /nfs/dbraw/zinc/08/12/47/429081247.db2.gz NYRVZLQZKMKJQL-KRWDZBQOSA-N 1 3 309.498 2.522 20 0 DFADHO COC[C@@]1(C[NH2+][C@H](C)Cc2coc3ccccc23)CCCN1 ZINC000423413234 429082923 /nfs/dbraw/zinc/08/29/23/429082923.db2.gz JVTPRLRUIAUKHM-KDOFPFPSSA-N 1 3 302.418 2.722 20 0 DFADHO CC[C@@H]([NH3+])CN[C@H](C)Cc1ccc(F)cc1Br ZINC000423486629 429097589 /nfs/dbraw/zinc/09/75/89/429097589.db2.gz ZUBLUQHYLWLPOI-BXKDBHETSA-N 1 3 303.219 2.846 20 0 DFADHO c1ccc([C@@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cncnc2)cc1 ZINC000423433362 429087336 /nfs/dbraw/zinc/08/73/36/429087336.db2.gz JQHYSULQOATKHS-IPMKNSEASA-N 1 3 308.429 2.544 20 0 DFADHO COC[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423428992 429087908 /nfs/dbraw/zinc/08/79/08/429087908.db2.gz HAMMENDBZJIRAL-IAOVAPTHSA-N 1 3 310.388 2.630 20 0 DFADHO C[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)c1ncc(Br)cc1F ZINC000423494078 429099061 /nfs/dbraw/zinc/09/90/61/429099061.db2.gz CTGCRQVJNMVZIJ-NGZCFLSTSA-N 1 3 316.218 2.761 20 0 DFADHO C[C@@H]1C[C@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CN1C1CC1 ZINC000424138980 429099222 /nfs/dbraw/zinc/09/92/22/429099222.db2.gz CTWDVHAKBMWYCZ-PVAVHDDUSA-N 1 3 321.509 2.806 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)N[C@H](C[NH3+])C1CCCC1 ZINC000423504503 429100661 /nfs/dbraw/zinc/10/06/61/429100661.db2.gz GSTOFNFBVSLKIB-WMLDXEAASA-N 1 3 303.450 2.535 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H](CN)C2CCCC2)C[C@H]1c1ccccc1 ZINC000423506198 429101822 /nfs/dbraw/zinc/10/18/22/429101822.db2.gz OWXZYIGUOVBSPY-FHWLQOOXSA-N 1 3 301.478 2.929 20 0 DFADHO COCCOc1ccc([C@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000423510787 429103031 /nfs/dbraw/zinc/10/30/31/429103031.db2.gz OAXSAAQPPATJGP-RVKKMQEKSA-N 1 3 306.450 2.690 20 0 DFADHO COCCOc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000423510787 429103034 /nfs/dbraw/zinc/10/30/34/429103034.db2.gz OAXSAAQPPATJGP-RVKKMQEKSA-N 1 3 306.450 2.690 20 0 DFADHO COCCOc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000423510787 429103037 /nfs/dbraw/zinc/10/30/37/429103037.db2.gz OAXSAAQPPATJGP-RVKKMQEKSA-N 1 3 306.450 2.690 20 0 DFADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H](C)[C@](C)(CN)C2)CN1Cc1ccccc1 ZINC000423508260 429104685 /nfs/dbraw/zinc/10/46/85/429104685.db2.gz KOKBRWAMZHNHBN-PSBWJHGTSA-N 1 3 301.478 2.566 20 0 DFADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H](C)[C@](C)(CN)C2)CN1Cc1ccccc1 ZINC000423508260 429104688 /nfs/dbraw/zinc/10/46/88/429104688.db2.gz KOKBRWAMZHNHBN-PSBWJHGTSA-N 1 3 301.478 2.566 20 0 DFADHO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C[C@@]1(C)CN ZINC000423515331 429106023 /nfs/dbraw/zinc/10/60/23/429106023.db2.gz VEZRBWUDNWMPGL-NXWXRZEISA-N 1 3 301.478 2.739 20 0 DFADHO C[C@@H]1C[N@H+]([C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C[C@@]1(C)CN ZINC000423515331 429106028 /nfs/dbraw/zinc/10/60/28/429106028.db2.gz VEZRBWUDNWMPGL-NXWXRZEISA-N 1 3 301.478 2.739 20 0 DFADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423515495 429106132 /nfs/dbraw/zinc/10/61/32/429106132.db2.gz AARLDLVICOSUPT-HWZUTKJVSA-N 1 3 306.494 2.935 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCCO2)c2ccccc12 ZINC000423524184 429108500 /nfs/dbraw/zinc/10/85/00/429108500.db2.gz SRORGAGOFCBIPR-HUUCEWRRSA-N 1 3 314.429 2.878 20 0 DFADHO CC1(C)[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)[C@@H]2CCCO[C@@H]21 ZINC000423521169 429109557 /nfs/dbraw/zinc/10/95/57/429109557.db2.gz FYBHTDBQWUFMOA-NFHVVUEESA-N 1 3 318.505 2.933 20 0 DFADHO CC1(C)[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H]2CCCO[C@@H]21 ZINC000423521169 429109560 /nfs/dbraw/zinc/10/95/60/429109560.db2.gz FYBHTDBQWUFMOA-NFHVVUEESA-N 1 3 318.505 2.933 20 0 DFADHO CC(C)N(C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)C1CCCC1 ZINC000424288682 429121190 /nfs/dbraw/zinc/12/11/90/429121190.db2.gz KYLDAQYKCGXWOG-MRXNPFEDSA-N 1 3 321.509 2.630 20 0 DFADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1C ZINC000435130024 429125267 /nfs/dbraw/zinc/12/52/67/429125267.db2.gz PKHVJSVMOABZJL-KBPBESRZSA-N 1 3 302.422 2.974 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1C ZINC000435130024 429125272 /nfs/dbraw/zinc/12/52/72/429125272.db2.gz PKHVJSVMOABZJL-KBPBESRZSA-N 1 3 302.422 2.974 20 0 DFADHO C[C@H]1CN(CCC2CC[NH+](CCOC3CCC3)CC2)C[C@H](C)O1 ZINC000376525542 429128239 /nfs/dbraw/zinc/12/82/39/429128239.db2.gz KDGRPFDEMQNASK-IRXDYDNUSA-N 1 3 324.509 2.767 20 0 DFADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000424333694 429128642 /nfs/dbraw/zinc/12/86/42/429128642.db2.gz MKUNAKPAORXJRP-ZIAGYGMSSA-N 1 3 302.340 2.987 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CCOC3CCC3)CC2)C[C@H](C)O1 ZINC000376525540 429128744 /nfs/dbraw/zinc/12/87/44/429128744.db2.gz KDGRPFDEMQNASK-CALCHBBNSA-N 1 3 324.509 2.767 20 0 DFADHO C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2N)CCN1Cc1ccccc1 ZINC000424367891 429132025 /nfs/dbraw/zinc/13/20/25/429132025.db2.gz OINSZJKNADNPGO-GDAAHCPNSA-N 1 3 301.478 2.899 20 0 DFADHO C[C@@H]1CC2(CN1Cc1cnn(Cc3ccccc3)c1)CC[NH2+]CC2 ZINC000424371278 429132101 /nfs/dbraw/zinc/13/21/01/429132101.db2.gz DIRVPHRZYXCPDO-QGZVFWFLSA-N 1 3 324.472 2.895 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2N)CCN1Cc1ccccc1 ZINC000424367989 429132196 /nfs/dbraw/zinc/13/21/96/429132196.db2.gz OINSZJKNADNPGO-NXWXRZEISA-N 1 3 301.478 2.899 20 0 DFADHO CCN(CC)c1ncc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000424385150 429133218 /nfs/dbraw/zinc/13/32/18/429133218.db2.gz WABPQFLLTFTBAL-AWEZNQCLSA-N 1 3 322.522 2.953 20 0 DFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)[C@H]3C)cc2)CC1 ZINC000494890037 429161919 /nfs/dbraw/zinc/16/19/19/429161919.db2.gz LWPLMJIOOLQLAZ-MBOZVWFJSA-N 1 3 315.505 2.958 20 0 DFADHO CC(C)[C@](C)(O)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000364352797 429189572 /nfs/dbraw/zinc/18/95/72/429189572.db2.gz LKLNPYSADPGZKV-GOSISDBHSA-N 1 3 305.466 2.637 20 0 DFADHO CC(C)[C@](C)(O)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000364352797 429189575 /nfs/dbraw/zinc/18/95/75/429189575.db2.gz LKLNPYSADPGZKV-GOSISDBHSA-N 1 3 305.466 2.637 20 0 DFADHO CC[NH+](CC)CC1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000436244187 429191667 /nfs/dbraw/zinc/19/16/67/429191667.db2.gz CEWOIUFTRSNSAL-BBWFWOEESA-N 1 3 323.525 2.828 20 0 DFADHO c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2CCN(C3CC3)C2)cs1 ZINC000436292602 429194047 /nfs/dbraw/zinc/19/40/47/429194047.db2.gz SVHISAYUCKUEST-GFCCVEGCSA-N 1 3 302.447 2.712 20 0 DFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495428748 429206971 /nfs/dbraw/zinc/20/69/71/429206971.db2.gz BCFGYWBWJYYQKE-ZIAGYGMSSA-N 1 3 313.486 2.752 20 0 DFADHO C[NH+](C)[C@@H]1CCC[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495428748 429206975 /nfs/dbraw/zinc/20/69/75/429206975.db2.gz BCFGYWBWJYYQKE-ZIAGYGMSSA-N 1 3 313.486 2.752 20 0 DFADHO C[C@H]1C[C@H](C[NH3+])CN1CCOc1ccc(OC(F)(F)F)cc1 ZINC000442769161 429235870 /nfs/dbraw/zinc/23/58/70/429235870.db2.gz MYJUBQXQMJLUFP-NWDGAFQWSA-N 1 3 318.339 2.633 20 0 DFADHO C=Cn1cc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000364763988 429263492 /nfs/dbraw/zinc/26/34/92/429263492.db2.gz JBFZRPBEXNRZSI-UHFFFAOYSA-N 1 3 311.433 2.727 20 0 DFADHO CN1CCC[C@H](CNC(=O)C(C)(C)[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000364848544 429267434 /nfs/dbraw/zinc/26/74/34/429267434.db2.gz ALWZTTYUDIOLHL-UKRRQHHQSA-N 1 3 323.868 2.576 20 0 DFADHO CCc1cccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000364928762 429269462 /nfs/dbraw/zinc/26/94/62/429269462.db2.gz GIZCYTXVAWGMJG-XLIONFOSSA-N 1 3 315.505 2.707 20 0 DFADHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CCCC[C@H]1O ZINC000364986972 429271126 /nfs/dbraw/zinc/27/11/26/429271126.db2.gz LLQYXADKPPCFLL-ZWKOTPCHSA-N 1 3 303.450 2.533 20 0 DFADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CCCC[C@H]1O ZINC000364986972 429271130 /nfs/dbraw/zinc/27/11/30/429271130.db2.gz LLQYXADKPPCFLL-ZWKOTPCHSA-N 1 3 303.450 2.533 20 0 DFADHO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000425352980 429272857 /nfs/dbraw/zinc/27/28/57/429272857.db2.gz MYMOWGFORYLOTI-ZWKOTPCHSA-N 1 3 320.502 2.627 20 0 DFADHO C[N@H+](C[C@H](O)CN1CC(C)(C)C[C@@H]1c1ccccc1)C1CC1 ZINC000425542744 429319341 /nfs/dbraw/zinc/31/93/41/429319341.db2.gz OSLHHKGHTSGQKN-ZWKOTPCHSA-N 1 3 302.462 2.915 20 0 DFADHO C[N@@H+](C[C@H](O)CN1CC(C)(C)C[C@@H]1c1ccccc1)C1CC1 ZINC000425542744 429319347 /nfs/dbraw/zinc/31/93/47/429319347.db2.gz OSLHHKGHTSGQKN-ZWKOTPCHSA-N 1 3 302.462 2.915 20 0 DFADHO C[C@H](Cc1ccoc1)[NH2+]Cc1ccccc1OCCN(C)C ZINC000449103476 429332224 /nfs/dbraw/zinc/33/22/24/429332224.db2.gz BCQVVWCKXVZMNF-OAHLLOKOSA-N 1 3 302.418 2.941 20 0 DFADHO Cc1cnn(CCCCCN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000365535753 429337192 /nfs/dbraw/zinc/33/71/92/429337192.db2.gz IFCQRCPFSWOYTA-GUDVDZBRSA-N 1 3 316.493 2.778 20 0 DFADHO Cc1cnn(CCCCCN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000365535753 429337198 /nfs/dbraw/zinc/33/71/98/429337198.db2.gz IFCQRCPFSWOYTA-GUDVDZBRSA-N 1 3 316.493 2.778 20 0 DFADHO CO[C@H](CN1CCC[C@@H]([N@H+](C)C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425791 429294385 /nfs/dbraw/zinc/29/43/85/429294385.db2.gz UWFRSDZTODFGGS-GUDVDZBRSA-N 1 3 324.509 2.623 20 0 DFADHO CO[C@H](CN1CCC[C@@H]([N@@H+](C)C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425791 429294391 /nfs/dbraw/zinc/29/43/91/429294391.db2.gz UWFRSDZTODFGGS-GUDVDZBRSA-N 1 3 324.509 2.623 20 0 DFADHO CO[C@H](CN(C)[C@@H]1CCC[N@H+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425791 429294392 /nfs/dbraw/zinc/29/43/92/429294392.db2.gz UWFRSDZTODFGGS-GUDVDZBRSA-N 1 3 324.509 2.623 20 0 DFADHO CO[C@H](CN(C)[C@@H]1CCC[N@@H+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425791 429294397 /nfs/dbraw/zinc/29/43/97/429294397.db2.gz UWFRSDZTODFGGS-GUDVDZBRSA-N 1 3 324.509 2.623 20 0 DFADHO CN(C)[C@@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000365407765 429313239 /nfs/dbraw/zinc/31/32/39/429313239.db2.gz SOKIQIQGKVANFH-QGZVFWFLSA-N 1 3 323.525 2.687 20 0 DFADHO CN(C)[C@@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000365407765 429313241 /nfs/dbraw/zinc/31/32/41/429313241.db2.gz SOKIQIQGKVANFH-QGZVFWFLSA-N 1 3 323.525 2.687 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)Cc2cccc(F)c2)CC1 ZINC000449361552 429396624 /nfs/dbraw/zinc/39/66/24/429396624.db2.gz KYNAUSSYRSUDTC-KRWDZBQOSA-N 1 3 308.441 2.582 20 0 DFADHO C[C@@H](CNCc1cc(C2CC[NH2+]CC2)no1)CC(F)(F)F ZINC000425893989 429349464 /nfs/dbraw/zinc/34/94/64/429349464.db2.gz FFHGSOOALILVJP-SNVBAGLBSA-N 1 3 305.344 2.820 20 0 DFADHO Cc1cccc(CCNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000449183251 429352663 /nfs/dbraw/zinc/35/26/63/429352663.db2.gz FHTLGSBPJQCBQA-PMACEKPBSA-N 1 3 316.489 2.895 20 0 DFADHO C[C@H](C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)CN(C)C ZINC000425951314 429353599 /nfs/dbraw/zinc/35/35/99/429353599.db2.gz MMDBPBMAOJCWFS-CABCVRRESA-N 1 3 303.450 2.662 20 0 DFADHO CN1CC[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449265852 429371164 /nfs/dbraw/zinc/37/11/64/429371164.db2.gz RWSVERLOLVBULG-MRXNPFEDSA-N 1 3 304.434 2.622 20 0 DFADHO CN1CC[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449265852 429371169 /nfs/dbraw/zinc/37/11/69/429371169.db2.gz RWSVERLOLVBULG-MRXNPFEDSA-N 1 3 304.434 2.622 20 0 DFADHO CN1CCN(CC[NH2+]Cc2cccc3ccoc32)CC1(C)C ZINC000449299360 429379827 /nfs/dbraw/zinc/37/98/27/429379827.db2.gz ADWOPAZHLKDTML-UHFFFAOYSA-N 1 3 301.434 2.548 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366259233 429441905 /nfs/dbraw/zinc/44/19/05/429441905.db2.gz NCZXLYZLPXPVDN-KBRIMQKVSA-N 1 3 319.424 2.759 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000366259233 429441913 /nfs/dbraw/zinc/44/19/13/429441913.db2.gz NCZXLYZLPXPVDN-KBRIMQKVSA-N 1 3 319.424 2.759 20 0 DFADHO CN1CCC(CC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000366254897 429442858 /nfs/dbraw/zinc/44/28/58/429442858.db2.gz IYQWMHXIFOQKED-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CCC(CC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000366254897 429442860 /nfs/dbraw/zinc/44/28/60/429442860.db2.gz IYQWMHXIFOQKED-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H](Cc1cnn(C)c1)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449584098 429456912 /nfs/dbraw/zinc/45/69/12/429456912.db2.gz JJPLZAJIMHPWTD-GJYPPUQNSA-N 1 3 318.509 2.984 20 0 DFADHO C[C@@H](Cc1cnn(C)c1)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449584098 429456916 /nfs/dbraw/zinc/45/69/16/429456916.db2.gz JJPLZAJIMHPWTD-GJYPPUQNSA-N 1 3 318.509 2.984 20 0 DFADHO CCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)COC1 ZINC000449601386 429459716 /nfs/dbraw/zinc/45/97/16/429459716.db2.gz RJJIUQGBXYKEEO-GUDVDZBRSA-N 1 3 314.473 2.913 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(NC(C)=O)CC1 ZINC000427720472 429467950 /nfs/dbraw/zinc/46/79/50/429467950.db2.gz NFRNKXVRKIBUMO-MKCYZYCBSA-N 1 3 323.525 2.924 20 0 DFADHO CO[C@@H]1COCC[C@@H]1C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449462487 429425043 /nfs/dbraw/zinc/42/50/43/429425043.db2.gz VHTUOSKRJPMMFP-QFHJOOASSA-N 1 3 324.509 2.671 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000294910425 275748372 /nfs/dbraw/zinc/74/83/72/275748372.db2.gz CCECRYGOQWOEQS-KZNAEPCWSA-N 1 3 317.477 2.834 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC000427878590 429475402 /nfs/dbraw/zinc/47/54/02/429475402.db2.gz WBJRFYHKAPIDDO-OAHLLOKOSA-N 1 3 305.466 2.598 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC000427878590 429475405 /nfs/dbraw/zinc/47/54/05/429475405.db2.gz WBJRFYHKAPIDDO-OAHLLOKOSA-N 1 3 305.466 2.598 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCn3ccnc3C2)CC1 ZINC000427873362 429476531 /nfs/dbraw/zinc/47/65/31/429476531.db2.gz KVVWIVGNZGQTKK-BPQIPLTHSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCn3ccnc3C2)CC1 ZINC000427873362 429476534 /nfs/dbraw/zinc/47/65/34/429476534.db2.gz KVVWIVGNZGQTKK-BPQIPLTHSA-N 1 3 316.493 2.831 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC1CC[NH+](C2CCCC2)CC1 ZINC000519761589 429486944 /nfs/dbraw/zinc/48/69/44/429486944.db2.gz CUKYXZIYZSVYFR-CQSZACIVSA-N 1 3 316.493 2.906 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)C2CCC2)CC1 ZINC000449739974 429493536 /nfs/dbraw/zinc/49/35/36/429493536.db2.gz NALKLKRYNFTZPD-UZLBHIALSA-N 1 3 316.489 2.833 20 0 DFADHO CN1CC=C(C[NH2+]C2CCN(Cc3cccs3)CC2)CC1 ZINC000366698549 429497098 /nfs/dbraw/zinc/49/70/98/429497098.db2.gz SMRYKGLKHJJEKZ-UHFFFAOYSA-N 1 3 305.491 2.564 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000428499786 429530941 /nfs/dbraw/zinc/53/09/41/429530941.db2.gz IYUUABVJAIEPIT-IRXDYDNUSA-N 1 3 311.514 2.734 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000428499786 429530944 /nfs/dbraw/zinc/53/09/44/429530944.db2.gz IYUUABVJAIEPIT-IRXDYDNUSA-N 1 3 311.514 2.734 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)C1 ZINC000521899486 429568575 /nfs/dbraw/zinc/56/85/75/429568575.db2.gz YDPXTVKHGOKSST-UPJWGTAASA-N 1 3 311.832 2.917 20 0 DFADHO Cc1nccn1CCCCN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429024188 429572930 /nfs/dbraw/zinc/57/29/30/429572930.db2.gz WSTYBVQHHNFATJ-SOLBZPMBSA-N 1 3 304.482 2.634 20 0 DFADHO Cc1nccn1CCCCN1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429024188 429572933 /nfs/dbraw/zinc/57/29/33/429572933.db2.gz WSTYBVQHHNFATJ-SOLBZPMBSA-N 1 3 304.482 2.634 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)CCN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000450557935 429647950 /nfs/dbraw/zinc/64/79/50/429647950.db2.gz DHUNHPYLHMIWRR-PKOBYXMFSA-N 1 3 303.494 2.781 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)CCN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000450557935 429647954 /nfs/dbraw/zinc/64/79/54/429647954.db2.gz DHUNHPYLHMIWRR-PKOBYXMFSA-N 1 3 303.494 2.781 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000450561262 429648967 /nfs/dbraw/zinc/64/89/67/429648967.db2.gz GXKOTHYEMZXSQC-NBMJBFSESA-N 1 3 304.478 2.813 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000450561262 429648971 /nfs/dbraw/zinc/64/89/71/429648971.db2.gz GXKOTHYEMZXSQC-NBMJBFSESA-N 1 3 304.478 2.813 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1)C1CC1 ZINC000429275745 429595135 /nfs/dbraw/zinc/59/51/35/429595135.db2.gz LJMJGPWXVYJTMX-FUHWJXTLSA-N 1 3 315.461 2.528 20 0 DFADHO CC(C)[NH+]1CCC(NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000429432746 429607552 /nfs/dbraw/zinc/60/75/52/429607552.db2.gz VGHLTODIGPYZMR-OALUTQOASA-N 1 3 320.452 2.754 20 0 DFADHO OC[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1c1ccc(F)cc1 ZINC000429407609 429608142 /nfs/dbraw/zinc/60/81/42/429608142.db2.gz JXFMRGPSIDMENA-FCGDIQPGSA-N 1 3 318.436 2.508 20 0 DFADHO OC[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1c1ccc(F)cc1 ZINC000429407609 429608145 /nfs/dbraw/zinc/60/81/45/429608145.db2.gz JXFMRGPSIDMENA-FCGDIQPGSA-N 1 3 318.436 2.508 20 0 DFADHO Cc1nccn1CCCCN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429409124 429608379 /nfs/dbraw/zinc/60/83/79/429608379.db2.gz OACCFTUNGRFMGO-INIZCTEOSA-N 1 3 304.482 2.778 20 0 DFADHO Cc1nccn1CCCCN1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000429409124 429608380 /nfs/dbraw/zinc/60/83/80/429608380.db2.gz OACCFTUNGRFMGO-INIZCTEOSA-N 1 3 304.482 2.778 20 0 DFADHO Cc1nccn1CCCC[N@H+]1CCN(C2CCC2)C[C@@H](C)C1 ZINC000429409124 429608385 /nfs/dbraw/zinc/60/83/85/429608385.db2.gz OACCFTUNGRFMGO-INIZCTEOSA-N 1 3 304.482 2.778 20 0 DFADHO Cc1nccn1CCCC[N@@H+]1CCN(C2CCC2)C[C@@H](C)C1 ZINC000429409124 429608388 /nfs/dbraw/zinc/60/83/88/429608388.db2.gz OACCFTUNGRFMGO-INIZCTEOSA-N 1 3 304.482 2.778 20 0 DFADHO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000367539337 429667570 /nfs/dbraw/zinc/66/75/70/429667570.db2.gz YRUUNJBICRTDNK-QBIMZIAESA-N 1 3 304.482 2.507 20 0 DFADHO CC[NH+]1CCC(NC[C@]2(CC)OCCc3ccccc32)CC1 ZINC000289801365 276151174 /nfs/dbraw/zinc/15/11/74/276151174.db2.gz NWUMNXWTIRTPBT-IBGZPJMESA-N 1 3 302.462 2.939 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000367597616 429680367 /nfs/dbraw/zinc/68/03/67/429680367.db2.gz BXZHUZQHYUPXSC-SJORKVTESA-N 1 3 322.497 2.978 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000154300476 276195153 /nfs/dbraw/zinc/19/51/53/276195153.db2.gz PTZZTUMEWSPBRV-INIZCTEOSA-N 1 3 307.507 2.743 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2cc(F)cc3c2OCOC3)[C@@H](C)C1 ZINC000247047387 276216673 /nfs/dbraw/zinc/21/66/73/276216673.db2.gz OOBVYWZZHLLPNP-SUMWQHHRSA-N 1 3 322.424 2.555 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2cc(F)cc3c2OCOC3)[C@@H](C)C1 ZINC000247047387 276216674 /nfs/dbraw/zinc/21/66/74/276216674.db2.gz OOBVYWZZHLLPNP-SUMWQHHRSA-N 1 3 322.424 2.555 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccnc(N3CCCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000367639285 429691410 /nfs/dbraw/zinc/69/14/10/429691410.db2.gz UTFFWAKWNHYVLE-BZSNNMDCSA-N 1 3 314.477 2.644 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccnc(N3CCCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000367639285 429691417 /nfs/dbraw/zinc/69/14/17/429691417.db2.gz UTFFWAKWNHYVLE-BZSNNMDCSA-N 1 3 314.477 2.644 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000367639285 429691423 /nfs/dbraw/zinc/69/14/23/429691423.db2.gz UTFFWAKWNHYVLE-BZSNNMDCSA-N 1 3 314.477 2.644 20 0 DFADHO CCOC(=O)C1(C)CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000353929413 276273274 /nfs/dbraw/zinc/27/32/74/276273274.db2.gz MECBSLUZHDPIBG-BNQMIIOLSA-N 1 3 308.466 2.715 20 0 DFADHO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000367681917 429699588 /nfs/dbraw/zinc/69/95/88/429699588.db2.gz DUSSSRTZCRRSHR-IEBWSBKVSA-N 1 3 307.526 2.772 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(C(F)F)cc2)CC1 ZINC000525988423 429692939 /nfs/dbraw/zinc/69/29/39/429692939.db2.gz UCUREDZQTAOQPS-UHFFFAOYSA-N 1 3 312.404 2.949 20 0 DFADHO CC[NH+](CC)C[C@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000271254541 276334536 /nfs/dbraw/zinc/33/45/36/276334536.db2.gz GGNGRCUBQFQSNX-UXHICEINSA-N 1 3 315.505 2.925 20 0 DFADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000430580949 429695300 /nfs/dbraw/zinc/69/53/00/429695300.db2.gz GRKVUATURROSLW-OAHLLOKOSA-N 1 3 313.392 2.599 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430578345 429696141 /nfs/dbraw/zinc/69/61/41/429696141.db2.gz YLUXZRDCLJAKBE-STQMWFEESA-N 1 3 309.841 2.728 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN(C)CC[C@H]([NH3+])C(C)C ZINC000430579270 429696939 /nfs/dbraw/zinc/69/69/39/429696939.db2.gz YJPYPELGLQXHNX-HNNXBMFYSA-N 1 3 309.429 2.768 20 0 DFADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC(C[NH3+])CC1 ZINC000430605948 429701827 /nfs/dbraw/zinc/70/18/27/429701827.db2.gz TYHFTKOJXSVKHE-CYBMUJFWSA-N 1 3 323.868 2.530 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2CCC3(CC[NH2+]C3)CC2)o1 ZINC000430933360 429724401 /nfs/dbraw/zinc/72/44/01/429724401.db2.gz IANLERDJAJHMAI-UHFFFAOYSA-N 1 3 300.406 2.554 20 0 DFADHO CSc1ccccc1NC(=O)CCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430959972 429729925 /nfs/dbraw/zinc/72/99/25/429729925.db2.gz FYZVVUDNSNHNMO-KGLIPLIRSA-N 1 3 321.490 2.796 20 0 DFADHO CSc1ccccc1NC(=O)CCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430959974 429730131 /nfs/dbraw/zinc/73/01/31/429730131.db2.gz FYZVVUDNSNHNMO-ZIAGYGMSSA-N 1 3 321.490 2.796 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000367872065 429733163 /nfs/dbraw/zinc/73/31/63/429733163.db2.gz WPAUZWDOOGOGAU-MSOLQXFVSA-N 1 3 306.425 2.593 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000367872065 429733167 /nfs/dbraw/zinc/73/31/67/429733167.db2.gz WPAUZWDOOGOGAU-MSOLQXFVSA-N 1 3 306.425 2.593 20 0 DFADHO CN1CCC([NH2+][C@@H]2C[C@H](C3CC3)N(Cc3ccccc3)C2)CC1 ZINC000367893977 429738092 /nfs/dbraw/zinc/73/80/92/429738092.db2.gz AOKUDSYQTSXWOR-WOJBJXKFSA-N 1 3 313.489 2.723 20 0 DFADHO CCC[N@H+](CCOCCOc1ccccc1)C1CCNCC1 ZINC000431079207 429739432 /nfs/dbraw/zinc/73/94/32/429739432.db2.gz XXUZDSQCWGRWTO-UHFFFAOYSA-N 1 3 306.450 2.546 20 0 DFADHO CCC[N@@H+](CCOCCOc1ccccc1)C1CCNCC1 ZINC000431079207 429739434 /nfs/dbraw/zinc/73/94/34/429739434.db2.gz XXUZDSQCWGRWTO-UHFFFAOYSA-N 1 3 306.450 2.546 20 0 DFADHO CCCN(CCOCCOc1ccccc1)C1CC[NH2+]CC1 ZINC000431079207 429739436 /nfs/dbraw/zinc/73/94/36/429739436.db2.gz XXUZDSQCWGRWTO-UHFFFAOYSA-N 1 3 306.450 2.546 20 0 DFADHO CCCN(CCC(=O)Nc1cccc(F)c1C)C1CC[NH2+]CC1 ZINC000431070840 429740204 /nfs/dbraw/zinc/74/02/04/429740204.db2.gz ZLVVIJOSDBEACM-UHFFFAOYSA-N 1 3 321.440 2.927 20 0 DFADHO CCC1([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)CCCC1 ZINC000451270347 429801875 /nfs/dbraw/zinc/80/18/75/429801875.db2.gz BXNRHZVMWCIYNH-QGZVFWFLSA-N 1 3 317.477 2.718 20 0 DFADHO Cc1n[nH]cc1C[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000367958555 429752328 /nfs/dbraw/zinc/75/23/28/429752328.db2.gz DPNPLVBLPOKZSY-IEBWSBKVSA-N 1 3 310.445 2.672 20 0 DFADHO Cc1n[nH]cc1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000367958555 429752333 /nfs/dbraw/zinc/75/23/33/429752333.db2.gz DPNPLVBLPOKZSY-IEBWSBKVSA-N 1 3 310.445 2.672 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CC1(C)C ZINC000486972870 429756727 /nfs/dbraw/zinc/75/67/27/429756727.db2.gz TYAQPTRHIKCHLA-VQIMIIECSA-N 1 3 315.505 2.958 20 0 DFADHO C[C@H](CCNC(=O)c1ccccc1CN(C)C)[NH+]1CCCCC1 ZINC000487006109 429759515 /nfs/dbraw/zinc/75/95/15/429759515.db2.gz HURPZRFDHRALAV-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO CCC[NH+]1CCC(NC(=O)C[C@H](c2ccccc2)N(C)C)CC1 ZINC000431614309 429773547 /nfs/dbraw/zinc/77/35/47/429773547.db2.gz NFTLKFDBMTZVSD-GOSISDBHSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1)CN(C)C ZINC000451171348 429778640 /nfs/dbraw/zinc/77/86/40/429778640.db2.gz ISAKERSXAXALKA-ZDUSSCGKSA-N 1 3 304.413 2.514 20 0 DFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527692313 429780348 /nfs/dbraw/zinc/78/03/48/429780348.db2.gz SBFFKQFNKAFFPU-DPZWOIPNSA-N 1 3 314.473 2.777 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368072732 429781340 /nfs/dbraw/zinc/78/13/40/429781340.db2.gz PZLKGTPZXTUKFV-MOPGFXCFSA-N 1 3 302.462 2.844 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368072732 429781341 /nfs/dbraw/zinc/78/13/41/429781341.db2.gz PZLKGTPZXTUKFV-MOPGFXCFSA-N 1 3 302.462 2.844 20 0 DFADHO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000431906937 429789468 /nfs/dbraw/zinc/78/94/68/429789468.db2.gz KEKQEKPYGZJAPP-NVXWUHKLSA-N 1 3 309.498 2.630 20 0 DFADHO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000431906936 429790315 /nfs/dbraw/zinc/79/03/15/429790315.db2.gz KEKQEKPYGZJAPP-DOTOQJQBSA-N 1 3 309.498 2.630 20 0 DFADHO CN(C)c1ccncc1CNC[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000368281340 429824411 /nfs/dbraw/zinc/82/44/11/429824411.db2.gz BJARFKWBDHQZMR-XLIONFOSSA-N 1 3 324.472 2.930 20 0 DFADHO CN(C)c1ccncc1CNC[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000368281340 429824413 /nfs/dbraw/zinc/82/44/13/429824413.db2.gz BJARFKWBDHQZMR-XLIONFOSSA-N 1 3 324.472 2.930 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CC4COC4)[C@H]3C2)cc1 ZINC000528027400 429838356 /nfs/dbraw/zinc/83/83/56/429838356.db2.gz SWKDCIZXVIDWIB-GBESFXJTSA-N 1 3 300.446 2.523 20 0 DFADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CC4COC4)[C@@H]3C2)cc1 ZINC000528024955 429839048 /nfs/dbraw/zinc/83/90/48/429839048.db2.gz FHZXYLLGRRPMSX-ZCNNSNEGSA-N 1 3 314.473 2.913 20 0 DFADHO CC(C)[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000432831846 429844957 /nfs/dbraw/zinc/84/49/57/429844957.db2.gz VYMMNBMBVYWEIE-VAMGGRTRSA-N 1 3 316.489 2.990 20 0 DFADHO CC(C)[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000432831846 429844960 /nfs/dbraw/zinc/84/49/60/429844960.db2.gz VYMMNBMBVYWEIE-VAMGGRTRSA-N 1 3 316.489 2.990 20 0 DFADHO COc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000368479075 429855748 /nfs/dbraw/zinc/85/57/48/429855748.db2.gz YVUPSNNVZOAJQO-KDOFPFPSSA-N 1 3 316.445 2.983 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000528409006 429886224 /nfs/dbraw/zinc/88/62/24/429886224.db2.gz VSLJPFZOANSFPK-QXAKKESOSA-N 1 3 320.452 2.799 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000528409006 429886225 /nfs/dbraw/zinc/88/62/25/429886225.db2.gz VSLJPFZOANSFPK-QXAKKESOSA-N 1 3 320.452 2.799 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000528409006 429886227 /nfs/dbraw/zinc/88/62/27/429886227.db2.gz VSLJPFZOANSFPK-QXAKKESOSA-N 1 3 320.452 2.799 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000528409006 429886229 /nfs/dbraw/zinc/88/62/29/429886229.db2.gz VSLJPFZOANSFPK-QXAKKESOSA-N 1 3 320.452 2.799 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)CC1 ZINC000369122241 429914292 /nfs/dbraw/zinc/91/42/92/429914292.db2.gz OFDQODWBCMBDIP-RTBURBONSA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)CC1 ZINC000369122241 429914294 /nfs/dbraw/zinc/91/42/94/429914294.db2.gz OFDQODWBCMBDIP-RTBURBONSA-N 1 3 307.526 2.915 20 0 DFADHO Cc1ccc(O)c(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000369136845 429915714 /nfs/dbraw/zinc/91/57/14/429915714.db2.gz AKWYOSLOONSXAT-QGZVFWFLSA-N 1 3 311.429 2.707 20 0 DFADHO Cc1ccc(O)c(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000369136845 429915715 /nfs/dbraw/zinc/91/57/15/429915715.db2.gz AKWYOSLOONSXAT-QGZVFWFLSA-N 1 3 311.429 2.707 20 0 DFADHO CC(C)CC[C@H](O)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000573476589 429956445 /nfs/dbraw/zinc/95/64/45/429956445.db2.gz UTVZSIKZFDZQKC-PMACEKPBSA-N 1 3 318.505 2.938 20 0 DFADHO CC(C)CC[C@H](O)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000573476589 429956446 /nfs/dbraw/zinc/95/64/46/429956446.db2.gz UTVZSIKZFDZQKC-PMACEKPBSA-N 1 3 318.505 2.938 20 0 DFADHO CC(C)CC[C@H](O)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000573476589 429956449 /nfs/dbraw/zinc/95/64/49/429956449.db2.gz UTVZSIKZFDZQKC-PMACEKPBSA-N 1 3 318.505 2.938 20 0 DFADHO CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C(C)(C)C ZINC000639748377 429968073 /nfs/dbraw/zinc/96/80/73/429968073.db2.gz ZNGVYLTVVOLSKD-RBUKOAKNSA-N 1 3 315.505 2.923 20 0 DFADHO CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C(C)(C)C ZINC000639748377 429968074 /nfs/dbraw/zinc/96/80/74/429968074.db2.gz ZNGVYLTVVOLSKD-RBUKOAKNSA-N 1 3 315.505 2.923 20 0 DFADHO COc1ccc([C@H](CN)C[NH+]2CCC(OC(C)C)CC2)cc1 ZINC000557336949 429936183 /nfs/dbraw/zinc/93/61/83/429936183.db2.gz XIXGUNBFWYBXMC-MRXNPFEDSA-N 1 3 306.450 2.627 20 0 DFADHO c1cc(C[N@@H+]2CCCN(c3ccncc3)CC2)c2c(c1)COCC2 ZINC000639685207 429946696 /nfs/dbraw/zinc/94/66/96/429946696.db2.gz QBENTLIWFSVOGQ-UHFFFAOYSA-N 1 3 323.440 2.867 20 0 DFADHO c1cc(C[N@H+]2CCCN(c3ccncc3)CC2)c2c(c1)COCC2 ZINC000639685207 429946700 /nfs/dbraw/zinc/94/67/00/429946700.db2.gz QBENTLIWFSVOGQ-UHFFFAOYSA-N 1 3 323.440 2.867 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccncc1Cl ZINC000529566716 430031349 /nfs/dbraw/zinc/03/13/49/430031349.db2.gz FRRBWHHNZXJANS-MRXNPFEDSA-N 1 3 324.900 2.583 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccncc1Cl ZINC000529566716 430031350 /nfs/dbraw/zinc/03/13/50/430031350.db2.gz FRRBWHHNZXJANS-MRXNPFEDSA-N 1 3 324.900 2.583 20 0 DFADHO C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000573912453 429992406 /nfs/dbraw/zinc/99/24/06/429992406.db2.gz ROADHLSFWQJURV-SQWLQELKSA-N 1 3 307.869 2.896 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CCCNC1 ZINC000573912453 429992410 /nfs/dbraw/zinc/99/24/10/429992410.db2.gz ROADHLSFWQJURV-SQWLQELKSA-N 1 3 307.869 2.896 20 0 DFADHO O[C@@]1(CN2CCCC(F)(F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639889674 430013686 /nfs/dbraw/zinc/01/36/86/430013686.db2.gz HDSCZRPNUTZTGF-QGZVFWFLSA-N 1 3 324.415 2.745 20 0 DFADHO O[C@@]1(CN2CCCC(F)(F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639889674 430013689 /nfs/dbraw/zinc/01/36/89/430013689.db2.gz HDSCZRPNUTZTGF-QGZVFWFLSA-N 1 3 324.415 2.745 20 0 DFADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CCC1 ZINC000574170980 430018566 /nfs/dbraw/zinc/01/85/66/430018566.db2.gz PQLBRGNAHMALCB-UHFFFAOYSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733097 430093113 /nfs/dbraw/zinc/09/31/13/430093113.db2.gz XAXOOJCCPJMWIA-CJNGLKHVSA-N 1 3 321.440 2.911 20 0 DFADHO C[C@@H](CC(=O)N1CCCCCC1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732496 430093276 /nfs/dbraw/zinc/09/32/76/430093276.db2.gz HRGVPLKJRSZALL-HOTGVXAUSA-N 1 3 309.498 2.535 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734006 430093449 /nfs/dbraw/zinc/09/34/49/430093449.db2.gz UNZNLJFJRLSQHZ-CZUORRHYSA-N 1 3 321.440 2.911 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733099 430093757 /nfs/dbraw/zinc/09/37/57/430093757.db2.gz XAXOOJCCPJMWIA-XJKSGUPXSA-N 1 3 321.440 2.911 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCNCC(C)(C)C1)CC2 ZINC000634733620 430094056 /nfs/dbraw/zinc/09/40/56/430094056.db2.gz JRADOPJZRLHDGF-SJORKVTESA-N 1 3 302.462 2.920 20 0 DFADHO CC(C)(C)c1ncc2c(n1)CCN(CC[C@@H]1CCC[NH2+]C1)C2 ZINC000530225256 430106255 /nfs/dbraw/zinc/10/62/55/430106255.db2.gz UYQZJJTWWQRHKM-AWEZNQCLSA-N 1 3 302.466 2.522 20 0 DFADHO CC(C)CCC[C@H](C)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000560547024 430053599 /nfs/dbraw/zinc/05/35/99/430053599.db2.gz DJMYRLUZBMIPFK-KRWDZBQOSA-N 1 3 311.514 2.783 20 0 DFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000561060904 430073464 /nfs/dbraw/zinc/07/34/64/430073464.db2.gz SOTZYVAWLZUGSQ-OKILXGFUSA-N 1 3 316.449 2.674 20 0 DFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000561060904 430073466 /nfs/dbraw/zinc/07/34/66/430073466.db2.gz SOTZYVAWLZUGSQ-OKILXGFUSA-N 1 3 316.449 2.674 20 0 DFADHO c1ccc2c(c1)OC[C@@H](CCNC1CC[NH+](CC3CC3)CC1)O2 ZINC000561160929 430080505 /nfs/dbraw/zinc/08/05/05/430080505.db2.gz LCJOYAJOHUCZLP-QGZVFWFLSA-N 1 3 316.445 2.681 20 0 DFADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC1(CO)CC(c2ccccc2)C1 ZINC000580946273 430164956 /nfs/dbraw/zinc/16/49/56/430164956.db2.gz TYULXPHKKVCOFR-IAFLDTSXSA-N 1 3 302.462 2.792 20 0 DFADHO Cc1ccc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000581005957 430168804 /nfs/dbraw/zinc/16/88/04/430168804.db2.gz JLEQIBUOBXHOTJ-HKUYNNGSSA-N 1 3 312.413 2.976 20 0 DFADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2cccn2)c(F)c1 ZINC000581021995 430172482 /nfs/dbraw/zinc/17/24/82/430172482.db2.gz HQYTTWMWEUWPNH-CFVMTHIKSA-N 1 3 302.397 2.932 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000580639754 430140747 /nfs/dbraw/zinc/14/07/47/430140747.db2.gz NGONETPVCSUQMC-DTWKUNHWSA-N 1 3 324.778 2.881 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000580639000 430140886 /nfs/dbraw/zinc/14/08/86/430140886.db2.gz AIOOGUYNPNFODR-MAUKXSAKSA-N 1 3 303.450 2.691 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(C)CCCNC2)c1 ZINC000580639000 430140890 /nfs/dbraw/zinc/14/08/90/430140890.db2.gz AIOOGUYNPNFODR-MAUKXSAKSA-N 1 3 303.450 2.691 20 0 DFADHO C[C@H]1C[N@H+](CCCNCc2ccc3[nH]ccc3c2)CCCO1 ZINC000580657849 430142143 /nfs/dbraw/zinc/14/21/43/430142143.db2.gz AHBXGJFEVHWITC-HNNXBMFYSA-N 1 3 301.434 2.758 20 0 DFADHO C[C@H]1C[N@@H+](CCCNCc2ccc3[nH]ccc3c2)CCCO1 ZINC000580657849 430142148 /nfs/dbraw/zinc/14/21/48/430142148.db2.gz AHBXGJFEVHWITC-HNNXBMFYSA-N 1 3 301.434 2.758 20 0 DFADHO CN1CCC([NH+]2CCC(N[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000371980222 277027233 /nfs/dbraw/zinc/02/72/33/277027233.db2.gz XAIWMVCGNXZQNO-HXUWFJFHSA-N 1 3 313.489 2.822 20 0 DFADHO CN1CCC(N2CCC([NH2+][C@@H]3CCc4ccccc43)CC2)CC1 ZINC000371980222 277027234 /nfs/dbraw/zinc/02/72/34/277027234.db2.gz XAIWMVCGNXZQNO-HXUWFJFHSA-N 1 3 313.489 2.822 20 0 DFADHO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCCN2C)o1 ZINC000368755696 277037840 /nfs/dbraw/zinc/03/78/40/277037840.db2.gz CYWAAKVSIXAMDS-RDJZCZTQSA-N 1 3 319.449 2.537 20 0 DFADHO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCCN2C)o1 ZINC000368755696 277037842 /nfs/dbraw/zinc/03/78/42/277037842.db2.gz CYWAAKVSIXAMDS-RDJZCZTQSA-N 1 3 319.449 2.537 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000314684200 277046301 /nfs/dbraw/zinc/04/63/01/277046301.db2.gz AMMLDWQWFGDERW-UONOGXRCSA-N 1 3 308.388 2.640 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000314684200 277046303 /nfs/dbraw/zinc/04/63/03/277046303.db2.gz AMMLDWQWFGDERW-UONOGXRCSA-N 1 3 308.388 2.640 20 0 DFADHO Brc1cccc2c1C[C@@H]1[C@H](NC[C@@H]3CCC[NH2+]C3)[C@H]21 ZINC000634997166 430187232 /nfs/dbraw/zinc/18/72/32/430187232.db2.gz FDXVAZVGXHAVBF-SUZRMVIJSA-N 1 3 321.262 2.676 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]CC[C@@H](N)Cc2ccccc2)cn1 ZINC000635004913 430194712 /nfs/dbraw/zinc/19/47/12/430194712.db2.gz GETHSPKFSMYMPJ-MAUKXSAKSA-N 1 3 313.445 2.571 20 0 DFADHO COc1ccc(C[C@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)cn1 ZINC000635004913 430194716 /nfs/dbraw/zinc/19/47/16/430194716.db2.gz GETHSPKFSMYMPJ-MAUKXSAKSA-N 1 3 313.445 2.571 20 0 DFADHO Cn1cc([C@@H](N[C@H]2CC[C@H](C[NH3+])CC2)c2cccc(F)c2)cn1 ZINC000635006735 430194815 /nfs/dbraw/zinc/19/48/15/430194815.db2.gz NCLSIPVFBNPNEW-KKXDTOCCSA-N 1 3 316.424 2.756 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000581200392 430188371 /nfs/dbraw/zinc/18/83/71/430188371.db2.gz GNOZKCFEXFEFPG-MSOLQXFVSA-N 1 3 308.441 2.535 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000581200392 430188374 /nfs/dbraw/zinc/18/83/74/430188374.db2.gz GNOZKCFEXFEFPG-MSOLQXFVSA-N 1 3 308.441 2.535 20 0 DFADHO CN(CCCC[NH+]1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000640534693 430193435 /nfs/dbraw/zinc/19/34/35/430193435.db2.gz RVYDLZOKOFBISQ-OKZBNKHCSA-N 1 3 321.509 2.632 20 0 DFADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC[C@H](N)Cc2ccccc2)C12CCC2 ZINC000635007753 430193834 /nfs/dbraw/zinc/19/38/34/430193834.db2.gz PGCBFUGWLPISMX-LAVFITLUSA-N 1 3 302.462 2.740 20 0 DFADHO c1cncc([C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)C2CCC2)c1 ZINC000635011275 430195209 /nfs/dbraw/zinc/19/52/09/430195209.db2.gz YQIBJFPRPNXYJM-IBGZPJMESA-N 1 3 323.444 2.840 20 0 DFADHO COc1cccc2c1CC[C@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635009498 430195359 /nfs/dbraw/zinc/19/53/59/430195359.db2.gz NSKHRPJSAKDQEZ-QGZVFWFLSA-N 1 3 324.428 2.599 20 0 DFADHO c1cncc([C@H](Nc2cc(N3CCNCC3)cc[nH+]2)C2CCC2)c1 ZINC000635011276 430196216 /nfs/dbraw/zinc/19/62/16/430196216.db2.gz YQIBJFPRPNXYJM-LJQANCHMSA-N 1 3 323.444 2.840 20 0 DFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(F)c(F)c1 ZINC000635010846 430196331 /nfs/dbraw/zinc/19/63/31/430196331.db2.gz WDMCNYXYSJGPJZ-GFCCVEGCSA-N 1 3 318.371 2.943 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@H](C)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000635010788 430196484 /nfs/dbraw/zinc/19/64/84/430196484.db2.gz BJLNDSAKKLPQPG-NEWSRXKRSA-N 1 3 301.478 2.547 20 0 DFADHO CNC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000358269318 277243106 /nfs/dbraw/zinc/24/31/06/277243106.db2.gz UOPREWCUARDSMO-HPBDAGMYSA-N 1 3 321.509 2.534 20 0 DFADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000358269318 277243107 /nfs/dbraw/zinc/24/31/07/277243107.db2.gz UOPREWCUARDSMO-HPBDAGMYSA-N 1 3 321.509 2.534 20 0 DFADHO CCN(Cc1ccc(C(=O)NCCC[NH2+]C2CC2)cc1)C1CC1 ZINC000581372420 430203120 /nfs/dbraw/zinc/20/31/20/430203120.db2.gz GPZYLZIKSZACAK-UHFFFAOYSA-N 1 3 315.461 2.543 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCc2ccccc2OC(F)(F)F)C1 ZINC000581439706 430210149 /nfs/dbraw/zinc/21/01/49/430210149.db2.gz FLDDFJDGXUSCHN-STQMWFEESA-N 1 3 302.340 2.987 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC000581439706 430210154 /nfs/dbraw/zinc/21/01/54/430210154.db2.gz FLDDFJDGXUSCHN-STQMWFEESA-N 1 3 302.340 2.987 20 0 DFADHO C[N@@H+]1CC[C@@H](CC(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000635266971 430242534 /nfs/dbraw/zinc/24/25/34/430242534.db2.gz HZRUDVVMEXOIHZ-KRWDZBQOSA-N 1 3 315.461 2.953 20 0 DFADHO C[N@H+]1CC[C@@H](CC(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000635266971 430242537 /nfs/dbraw/zinc/24/25/37/430242537.db2.gz HZRUDVVMEXOIHZ-KRWDZBQOSA-N 1 3 315.461 2.953 20 0 DFADHO Cn1nc2c(c1CN1CCC(CCC[NH+](C)C)CC1)CCCC2 ZINC000638122952 430244659 /nfs/dbraw/zinc/24/46/59/430244659.db2.gz STKZGINLILREGM-UHFFFAOYSA-N 1 3 318.509 2.853 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000581894978 430249058 /nfs/dbraw/zinc/24/90/58/430249058.db2.gz NYERHODYCPDGSV-RVKKMQEKSA-N 1 3 302.418 2.768 20 0 DFADHO CC(C)CC[C@H](N)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638068310 430225342 /nfs/dbraw/zinc/22/53/42/430225342.db2.gz WTXDLLKQQVDAHA-BBWFWOEESA-N 1 3 311.514 2.624 20 0 DFADHO CC(C)CC[C@H](N)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638068310 430225346 /nfs/dbraw/zinc/22/53/46/430225346.db2.gz WTXDLLKQQVDAHA-BBWFWOEESA-N 1 3 311.514 2.624 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000638086869 430231041 /nfs/dbraw/zinc/23/10/41/430231041.db2.gz KXDKBOBYSLBZFS-QGZVFWFLSA-N 1 3 309.498 2.521 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC[C@@H](OC)[C@@H]1CCOC1 ZINC000638313368 430302683 /nfs/dbraw/zinc/30/26/83/430302683.db2.gz UUEPYIIFTBHKHK-RTBURBONSA-N 1 3 320.477 2.670 20 0 DFADHO C[NH+](C)CC1(CNC[C@H](O)CCc2ccccc2)CCCC1 ZINC000582482558 430304318 /nfs/dbraw/zinc/30/43/18/430304318.db2.gz IUDNXLLOQRLFMN-GOSISDBHSA-N 1 3 304.478 2.692 20 0 DFADHO CN(CC(=O)N[C@@H](CCC[NH3+])c1ccccc1)CC(C)(C)C ZINC000638330255 430306816 /nfs/dbraw/zinc/30/68/16/430306816.db2.gz UBORAMVKZRGLBY-INIZCTEOSA-N 1 3 305.466 2.561 20 0 DFADHO CN(C)CCN1CCC([NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638356007 430313899 /nfs/dbraw/zinc/31/38/99/430313899.db2.gz LEQZAWUNTMFGKN-WOJBJXKFSA-N 1 3 315.505 2.796 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCOc2cccc(Br)c2)C1 ZINC000568107714 430318668 /nfs/dbraw/zinc/31/86/68/430318668.db2.gz WITLKWXOMNZXTP-OLZOCXBDSA-N 1 3 313.239 2.687 20 0 DFADHO Cc1nnsc1CNCC1CC[NH+](Cc2cccs2)CC1 ZINC000638457820 430348449 /nfs/dbraw/zinc/34/84/49/430348449.db2.gz YCBJHIOFEUDPEJ-UHFFFAOYSA-N 1 3 322.503 2.910 20 0 DFADHO C[C@@H](CN1CCCCC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298434524 277573405 /nfs/dbraw/zinc/57/34/05/277573405.db2.gz NDWOHIRJNWIUTD-INIZCTEOSA-N 1 3 302.466 2.514 20 0 DFADHO C[C@@H](CO)[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638710798 430415229 /nfs/dbraw/zinc/41/52/29/430415229.db2.gz CSNHNOLLYNMCJV-LPHOPBHVSA-N 1 3 304.478 2.895 20 0 DFADHO C[C@@H](CO)NC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638710798 430415233 /nfs/dbraw/zinc/41/52/33/430415233.db2.gz CSNHNOLLYNMCJV-LPHOPBHVSA-N 1 3 304.478 2.895 20 0 DFADHO C[C@@H](CO)NC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638710798 430415236 /nfs/dbraw/zinc/41/52/36/430415236.db2.gz CSNHNOLLYNMCJV-LPHOPBHVSA-N 1 3 304.478 2.895 20 0 DFADHO CCC[C@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)OC ZINC000638721021 430416862 /nfs/dbraw/zinc/41/68/62/430416862.db2.gz VLMPAGKOPJGSFF-LJQANCHMSA-N 1 3 320.477 2.548 20 0 DFADHO COCCC[NH+]1CCC(NCC(C)(C)Oc2ccccc2)CC1 ZINC000638483610 430356068 /nfs/dbraw/zinc/35/60/68/430356068.db2.gz MQUWSPSEFYFZLB-UHFFFAOYSA-N 1 3 320.477 2.935 20 0 DFADHO COCC1(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CCC1 ZINC000638521832 430366164 /nfs/dbraw/zinc/36/61/64/430366164.db2.gz QGLFIGOTGXAWMU-IBGZPJMESA-N 1 3 316.489 2.957 20 0 DFADHO [NH3+]Cc1cccc2c1N(C(=O)C[C@@H]1NCc3ccccc31)CCC2 ZINC000638542970 430372169 /nfs/dbraw/zinc/37/21/69/430372169.db2.gz PCJAQZPVZGHSNK-SFHVURJKSA-N 1 3 321.424 2.659 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCCc3cccc(CN)c32)cc1 ZINC000638544360 430373566 /nfs/dbraw/zinc/37/35/66/430373566.db2.gz UMNZVVAOZORGOV-ZDUSSCGKSA-N 1 3 309.413 2.758 20 0 DFADHO CC(C)CC[C@@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000568618387 430376001 /nfs/dbraw/zinc/37/60/01/430376001.db2.gz MMWFCBKYXMZOSK-GOSISDBHSA-N 1 3 305.466 2.685 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000568768005 430392571 /nfs/dbraw/zinc/39/25/71/430392571.db2.gz CXKWVYNWUGMMBG-KGLIPLIRSA-N 1 3 320.824 2.792 20 0 DFADHO [NH3+]CCC1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000583443799 430395112 /nfs/dbraw/zinc/39/51/12/430395112.db2.gz CYAXHOCJHAOSCE-UHFFFAOYSA-N 1 3 302.397 2.777 20 0 DFADHO CO[C@@H](CNC1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCCC1 ZINC000638667809 430404735 /nfs/dbraw/zinc/40/47/35/430404735.db2.gz DPCBVPXWNGBXDW-APWZRJJASA-N 1 3 324.509 2.672 20 0 DFADHO CC[C@@H](C)[C@H]1CCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000583557711 430406270 /nfs/dbraw/zinc/40/62/70/430406270.db2.gz XFCYRFAJEHMFRH-SJLPKXTDSA-N 1 3 323.525 2.876 20 0 DFADHO CN1CCN(CCCC[NH2+]Cc2cccc3ccoc32)CC1 ZINC000569307034 430440895 /nfs/dbraw/zinc/44/08/95/430440895.db2.gz WGKSGYGDPDXOEH-UHFFFAOYSA-N 1 3 301.434 2.550 20 0 DFADHO [NH3+][C@@H]1CCCCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000638819289 430443652 /nfs/dbraw/zinc/44/36/52/430443652.db2.gz IRZVBTMEKVDFQZ-GOSISDBHSA-N 1 3 315.461 2.626 20 0 DFADHO CO[C@H](CNCc1ccccc1C[N@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000638853405 430455870 /nfs/dbraw/zinc/45/58/70/430455870.db2.gz FJAHMPPFQWEFON-RTBURBONSA-N 1 3 320.477 2.668 20 0 DFADHO CO[C@H](CNCc1ccccc1C[N@@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000638853405 430455875 /nfs/dbraw/zinc/45/58/75/430455875.db2.gz FJAHMPPFQWEFON-RTBURBONSA-N 1 3 320.477 2.668 20 0 DFADHO CCC1([NH+]2CCCC2)CCN(C(=O)C2(N)CCCCC2)CC1 ZINC000638862664 430459196 /nfs/dbraw/zinc/45/91/96/430459196.db2.gz YWCDRVRHKCLUNO-UHFFFAOYSA-N 1 3 307.482 2.515 20 0 DFADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000641808935 430480423 /nfs/dbraw/zinc/48/04/23/430480423.db2.gz VCLPGSPQPBLOFO-IRXDYDNUSA-N 1 3 311.429 2.884 20 0 DFADHO C[C@@H](CCCC(F)(F)F)[NH2+]CCCCN1CCN(C)CC1 ZINC000547828541 430426106 /nfs/dbraw/zinc/42/61/06/430426106.db2.gz ZUDLWGDVPCMURG-AWEZNQCLSA-N 1 3 309.420 2.725 20 0 DFADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000638969365 430483761 /nfs/dbraw/zinc/48/37/61/430483761.db2.gz GKTWMSFVAORVBW-VQHPVUNQSA-N 1 3 321.509 2.676 20 0 DFADHO CN(C)C[C@@H]1CCCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000569910561 430496589 /nfs/dbraw/zinc/49/65/89/430496589.db2.gz RMILDQXHHCNDMW-ZWKOTPCHSA-N 1 3 317.477 2.622 20 0 DFADHO CCCc1ccc(C[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000642341425 430511889 /nfs/dbraw/zinc/51/18/89/430511889.db2.gz VNHJSVKHIYUISF-UHFFFAOYSA-N 1 3 303.494 2.755 20 0 DFADHO C[C@@H]1CCCc2ccccc2[C@@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000570202045 430521948 /nfs/dbraw/zinc/52/19/48/430521948.db2.gz AZCXCNRBYFYLRA-LSBZLQRGSA-N 1 3 302.462 2.745 20 0 DFADHO C[C@@H]1CCCc2ccccc2[C@@H]1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000570202045 430521951 /nfs/dbraw/zinc/52/19/51/430521951.db2.gz AZCXCNRBYFYLRA-LSBZLQRGSA-N 1 3 302.462 2.745 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000642630959 430522485 /nfs/dbraw/zinc/52/24/85/430522485.db2.gz SHQHVKPJJNYCOC-JQHSSLGASA-N 1 3 315.461 2.929 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000642630959 430522488 /nfs/dbraw/zinc/52/24/88/430522488.db2.gz SHQHVKPJJNYCOC-JQHSSLGASA-N 1 3 315.461 2.929 20 0 DFADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106186 430526876 /nfs/dbraw/zinc/52/68/76/430526876.db2.gz WXDHGZMETXSQEI-QZTJIDSGSA-N 1 3 301.478 2.929 20 0 DFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106186 430526879 /nfs/dbraw/zinc/52/68/79/430526879.db2.gz WXDHGZMETXSQEI-QZTJIDSGSA-N 1 3 301.478 2.929 20 0 DFADHO C[NH+](C)[C@@H]1CCCN(C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106186 430526881 /nfs/dbraw/zinc/52/68/81/430526881.db2.gz WXDHGZMETXSQEI-QZTJIDSGSA-N 1 3 301.478 2.929 20 0 DFADHO COc1cc(C[C@@H](C)NC2CC([NH+]3CCCCC3)C2)ccn1 ZINC000639124818 430534022 /nfs/dbraw/zinc/53/40/22/430534022.db2.gz MOYLTBHWULAGFD-ODIFPOPNSA-N 1 3 303.450 2.628 20 0 DFADHO CSC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000570508633 430549472 /nfs/dbraw/zinc/54/94/72/430549472.db2.gz CYOMXHFCGJYRDA-YJBOKZPZSA-N 1 3 322.518 2.732 20 0 DFADHO CSC[C@@H](O)CNCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000570508633 430549473 /nfs/dbraw/zinc/54/94/73/430549473.db2.gz CYOMXHFCGJYRDA-YJBOKZPZSA-N 1 3 322.518 2.732 20 0 DFADHO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)[C@@H]1CC1(F)F ZINC000639185146 430562797 /nfs/dbraw/zinc/56/27/97/430562797.db2.gz HGQIBVFLONKPQS-OCCSQVGLSA-N 1 3 313.392 2.545 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000570699099 430570054 /nfs/dbraw/zinc/57/00/54/430570054.db2.gz PLFWFCCCSPLPSM-VSZNYVQBSA-N 1 3 321.509 2.820 20 0 DFADHO CC(C)[C@H]1CC[C@H]1[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000552043304 430581366 /nfs/dbraw/zinc/58/13/66/430581366.db2.gz GYSQBYJBUHFWPB-QZTJIDSGSA-N 1 3 307.526 2.961 20 0 DFADHO COc1ccc2[nH]cc(CC[NH2+][C@@H](C)[C@@H]3CCCNC3)c2c1 ZINC000643453870 430601938 /nfs/dbraw/zinc/60/19/38/430601938.db2.gz DQUJNDHBYSFDMU-UONOGXRCSA-N 1 3 301.434 2.697 20 0 DFADHO CC(C)[N@H+](Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCOC1 ZINC000643346441 430589041 /nfs/dbraw/zinc/58/90/41/430589041.db2.gz NRGPLBKJWKBTLV-QGZVFWFLSA-N 1 3 306.450 2.626 20 0 DFADHO CC(C)[N@@H+](Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCOC1 ZINC000643346441 430589044 /nfs/dbraw/zinc/58/90/44/430589044.db2.gz NRGPLBKJWKBTLV-QGZVFWFLSA-N 1 3 306.450 2.626 20 0 DFADHO C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)(N(C)C)C1 ZINC000552223292 430591135 /nfs/dbraw/zinc/59/11/35/430591135.db2.gz MMNAGPYQIJMRFD-LFDJNIOPSA-N 1 3 307.526 2.959 20 0 DFADHO Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CCC[C@H](N)C3)cc2)n1 ZINC000570984962 430594116 /nfs/dbraw/zinc/59/41/16/430594116.db2.gz ADDMSNYRQJAIID-ROUUACIJSA-N 1 3 312.461 2.891 20 0 DFADHO Cc1cc(C)n(-c2ccc(CCN[C@H]3CCC[C@H]([NH3+])C3)cc2)n1 ZINC000570984962 430594118 /nfs/dbraw/zinc/59/41/18/430594118.db2.gz ADDMSNYRQJAIID-ROUUACIJSA-N 1 3 312.461 2.891 20 0 DFADHO C[N@@H+]1CCC[C@@H](N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000643374888 430595313 /nfs/dbraw/zinc/59/53/13/430595313.db2.gz YPYTUFNPRRRALY-ZCNNSNEGSA-N 1 3 313.489 2.502 20 0 DFADHO C[N@H+]1CCC[C@@H](N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000643374888 430595317 /nfs/dbraw/zinc/59/53/17/430595317.db2.gz YPYTUFNPRRRALY-ZCNNSNEGSA-N 1 3 313.489 2.502 20 0 DFADHO CC[C@H](C)[C@H](CNC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)OC ZINC000639286854 430597829 /nfs/dbraw/zinc/59/78/29/430597829.db2.gz UZBZSJXYYTZAHX-NQYYFHDYSA-N 1 3 304.478 2.983 20 0 DFADHO CC[C@H](C)[C@H](CNC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)OC ZINC000639286854 430597833 /nfs/dbraw/zinc/59/78/33/430597833.db2.gz UZBZSJXYYTZAHX-NQYYFHDYSA-N 1 3 304.478 2.983 20 0 DFADHO COc1ccc(COCCN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000643061220 430545914 /nfs/dbraw/zinc/54/59/14/430545914.db2.gz QWJVUTVBIHJHJO-LJQANCHMSA-N 1 3 318.461 2.676 20 0 DFADHO C[C@@H](C(=O)Nc1ccccc1CN(C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000554727473 430651144 /nfs/dbraw/zinc/65/11/44/430651144.db2.gz DAZFLODWGIGSRG-KFWWJZLASA-N 1 3 303.450 2.948 20 0 DFADHO COc1cccc([C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)c1 ZINC000571821142 430654785 /nfs/dbraw/zinc/65/47/85/430654785.db2.gz NIMAUVMKMUTQFX-AOIWGVFYSA-N 1 3 317.477 2.692 20 0 DFADHO COc1cccc2c1OC[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000643451970 430603083 /nfs/dbraw/zinc/60/30/83/430603083.db2.gz GEEKFZRNZBQJCJ-YYIAUSFCSA-N 1 3 316.445 2.509 20 0 DFADHO C[C@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000643462965 430603760 /nfs/dbraw/zinc/60/37/60/430603760.db2.gz UQHFBPUKQPDTNG-GZBFAFLISA-N 1 3 309.404 2.521 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CCCNC1 ZINC000643462965 430603762 /nfs/dbraw/zinc/60/37/62/430603762.db2.gz UQHFBPUKQPDTNG-GZBFAFLISA-N 1 3 309.404 2.521 20 0 DFADHO C[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CS1 ZINC000639312211 430605673 /nfs/dbraw/zinc/60/56/73/430605673.db2.gz SWKCKDCINCFSAX-YOEHRIQHSA-N 1 3 305.491 2.777 20 0 DFADHO Cc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)sn1 ZINC000639310819 430605723 /nfs/dbraw/zinc/60/57/23/430605723.db2.gz HRMQCHQRTSVKFG-UHFFFAOYSA-N 1 3 316.474 2.848 20 0 DFADHO C[C@@H](NCCCc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000643469446 430605862 /nfs/dbraw/zinc/60/58/62/430605862.db2.gz WEVUGOSFPXMUKA-OCCSQVGLSA-N 1 3 311.267 2.969 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000643474434 430607256 /nfs/dbraw/zinc/60/72/56/430607256.db2.gz LVBDLPMLRXLVRO-FRIZHTMISA-N 1 3 313.445 2.664 20 0 DFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCCOCC1CCC1 ZINC000643481268 430607788 /nfs/dbraw/zinc/60/77/88/430607788.db2.gz BPCZQYODVTYYLY-IEBWSBKVSA-N 1 3 316.445 2.649 20 0 DFADHO C[C@@H](N)C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000643528370 430613123 /nfs/dbraw/zinc/61/31/23/430613123.db2.gz IHMXCJKTEUSERX-CABCVRRESA-N 1 3 324.428 2.911 20 0 DFADHO Cn1cc([C@H](NC[C@@H]2CCC[C@H]([NH3+])C2)c2cccc(F)c2)cn1 ZINC000643541143 430614577 /nfs/dbraw/zinc/61/45/77/430614577.db2.gz PKJKJPLTSDEYFV-JEBQAFNWSA-N 1 3 316.424 2.756 20 0 DFADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1cc(-c2ccccc2)nn1C ZINC000643536936 430614623 /nfs/dbraw/zinc/61/46/23/430614623.db2.gz YWKIQHINFXZAGZ-KSSFIOAISA-N 1 3 310.445 2.880 20 0 DFADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000643547566 430616023 /nfs/dbraw/zinc/61/60/23/430616023.db2.gz HCPWZZUVLFOFNC-HOCLYGCPSA-N 1 3 311.433 2.593 20 0 DFADHO CN1CCCC[C@@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639345910 430617543 /nfs/dbraw/zinc/61/75/43/430617543.db2.gz CLJPEEFZJXYGJD-ROUUACIJSA-N 1 3 301.478 2.834 20 0 DFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3scnc3C3CC3)CC2)C1 ZINC000571385702 430624169 /nfs/dbraw/zinc/62/41/69/430624169.db2.gz WXBGPXPADCURQY-CABCVRRESA-N 1 3 321.490 2.739 20 0 DFADHO C[C@H]([NH2+]C1CCNCC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000571651870 430644477 /nfs/dbraw/zinc/64/44/77/430644477.db2.gz DJXPZXXGMDJWQS-AWEZNQCLSA-N 1 3 324.428 2.737 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000571669411 430644755 /nfs/dbraw/zinc/64/47/55/430644755.db2.gz NJTALCOGAWJGAD-KBPBESRZSA-N 1 3 323.868 2.955 20 0 DFADHO CC[N@H+](CCC1CCN(CCc2cnccn2)CC1)CC1CC1 ZINC000639558951 430671008 /nfs/dbraw/zinc/67/10/08/430671008.db2.gz LOLDQLUZWWLCJR-UHFFFAOYSA-N 1 3 316.493 2.853 20 0 DFADHO CC[N@@H+](CCC1CCN(CCc2cnccn2)CC1)CC1CC1 ZINC000639558951 430671010 /nfs/dbraw/zinc/67/10/10/430671010.db2.gz LOLDQLUZWWLCJR-UHFFFAOYSA-N 1 3 316.493 2.853 20 0 DFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc[nH]c(=O)c1 ZINC000639589033 430678008 /nfs/dbraw/zinc/67/80/08/430678008.db2.gz IKYWQAYSAAJNFV-MAUKXSAKSA-N 1 3 311.429 2.787 20 0 DFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc[nH]c(=O)c1 ZINC000639589033 430678010 /nfs/dbraw/zinc/67/80/10/430678010.db2.gz IKYWQAYSAAJNFV-MAUKXSAKSA-N 1 3 311.429 2.787 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCc2cnc(SC3CCCC3)nc2)C1 ZINC000572257321 430678525 /nfs/dbraw/zinc/67/85/25/430678525.db2.gz MGQCKMCVLQGSFB-LSDHHAIUSA-N 1 3 320.506 2.913 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C1 ZINC000572257321 430678527 /nfs/dbraw/zinc/67/85/27/430678527.db2.gz MGQCKMCVLQGSFB-LSDHHAIUSA-N 1 3 320.506 2.913 20 0 DFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1F ZINC000268929651 278343718 /nfs/dbraw/zinc/34/37/18/278343718.db2.gz QIZKNDCRPYBYOJ-HIFRSBDPSA-N 1 3 312.404 2.852 20 0 DFADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1F ZINC000268929651 278343720 /nfs/dbraw/zinc/34/37/20/278343720.db2.gz QIZKNDCRPYBYOJ-HIFRSBDPSA-N 1 3 312.404 2.852 20 0 DFADHO C[C@H](CCNC[C@@H](O)CCc1ccccc1)[NH+]1CCCCC1 ZINC000572715232 430695557 /nfs/dbraw/zinc/69/55/57/430695557.db2.gz WWVZJNHGLLUWRD-MJGOQNOKSA-N 1 3 304.478 2.834 20 0 DFADHO C[C@H](CC[NH2+]C[C@@H](O)CCc1ccccc1)N1CCCCC1 ZINC000572715232 430695558 /nfs/dbraw/zinc/69/55/58/430695558.db2.gz WWVZJNHGLLUWRD-MJGOQNOKSA-N 1 3 304.478 2.834 20 0 DFADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000664719785 430730881 /nfs/dbraw/zinc/73/08/81/430730881.db2.gz ZPWMRMDZPSJSQC-GOEBONIOSA-N 1 3 305.466 2.559 20 0 DFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000664719785 430730884 /nfs/dbraw/zinc/73/08/84/430730884.db2.gz ZPWMRMDZPSJSQC-GOEBONIOSA-N 1 3 305.466 2.559 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H]2CCOC2(C)C)cc1 ZINC000657784885 430734345 /nfs/dbraw/zinc/73/43/45/430734345.db2.gz HCIJOQSSVUSWJE-INIZCTEOSA-N 1 3 306.450 2.532 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC[C@](C)(O)C(F)(F)F ZINC000644513842 430738652 /nfs/dbraw/zinc/73/86/52/430738652.db2.gz XNJVLJPJMIRTQD-HNNXBMFYSA-N 1 3 318.383 2.931 20 0 DFADHO CC(C)Cn1nccc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657816120 430743737 /nfs/dbraw/zinc/74/37/37/430743737.db2.gz VNOWJKFSILWSKY-UHFFFAOYSA-N 1 3 304.482 2.751 20 0 DFADHO COc1cccc(CNCC2CC[NH+](CC3CC3)CC2)c1OC ZINC000657812509 430744453 /nfs/dbraw/zinc/74/44/53/430744453.db2.gz QIAKZWQLEXEGTB-UHFFFAOYSA-N 1 3 318.461 2.915 20 0 DFADHO C[C@H](CNCCC(=O)Nc1ccccc1F)C[NH+]1CCCCC1 ZINC000644525776 430744680 /nfs/dbraw/zinc/74/46/80/430744680.db2.gz GXOLDCBXQSCCHD-OAHLLOKOSA-N 1 3 321.440 2.866 20 0 DFADHO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1F)CN1CCCCC1 ZINC000644525776 430744686 /nfs/dbraw/zinc/74/46/86/430744686.db2.gz GXOLDCBXQSCCHD-OAHLLOKOSA-N 1 3 321.440 2.866 20 0 DFADHO Cn1cc(CNCC2CC[NH+](CC3CC3)CC2)c(C(F)F)n1 ZINC000657816534 430744904 /nfs/dbraw/zinc/74/49/04/430744904.db2.gz WVYZATPIUOWZSW-UHFFFAOYSA-N 1 3 312.408 2.569 20 0 DFADHO CC(C)N1CCN(CCC[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)CC1 ZINC000661517855 430746194 /nfs/dbraw/zinc/74/61/94/430746194.db2.gz WROWMRHBZAVMKA-FXAWDEMLSA-N 1 3 315.505 2.721 20 0 DFADHO COC1([C@@H](C)NCc2ccccc2OCC[NH+](C)C)CCC1 ZINC000657860677 430754927 /nfs/dbraw/zinc/75/49/27/430754927.db2.gz BZXYLNVKYRVAHF-OAHLLOKOSA-N 1 3 306.450 2.674 20 0 DFADHO c1ccc(CC[N@@H+]2CC[C@@H](CN[C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000657867803 430757774 /nfs/dbraw/zinc/75/77/74/430757774.db2.gz PKFMLLPORLIZOC-OALUTQOASA-N 1 3 314.473 2.852 20 0 DFADHO c1ccc(CC[N@H+]2CC[C@@H](CN[C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000657867803 430757778 /nfs/dbraw/zinc/75/77/78/430757778.db2.gz PKFMLLPORLIZOC-OALUTQOASA-N 1 3 314.473 2.852 20 0 DFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2cnccc2o1 ZINC000658003574 430783709 /nfs/dbraw/zinc/78/37/09/430783709.db2.gz SPZQXYRYATUARB-AWEZNQCLSA-N 1 3 316.449 2.504 20 0 DFADHO CCOC1CCC([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000657918430 430767078 /nfs/dbraw/zinc/76/70/78/430767078.db2.gz CIELTDSVSYGMJP-OQSMONGASA-N 1 3 312.498 2.813 20 0 DFADHO COc1ccc(C)cc1[C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000658108334 430815684 /nfs/dbraw/zinc/81/56/84/430815684.db2.gz NCGNNFVQCGJYNE-IRXDYDNUSA-N 1 3 321.509 2.926 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCCSCC3)cc2)C1 ZINC000658136327 430821228 /nfs/dbraw/zinc/82/12/28/430821228.db2.gz HVCJOZWDBMQEPW-ROUUACIJSA-N 1 3 320.502 2.629 20 0 DFADHO C[C@H](NCc1cccc(C(F)(F)F)n1)C1CC[NH+](C)CC1 ZINC000651386910 430784500 /nfs/dbraw/zinc/78/45/00/430784500.db2.gz ZEUJVYFLSAMHCG-NSHDSACASA-N 1 3 301.356 2.920 20 0 DFADHO COC[C@H](CC[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)OC ZINC000658085431 430806611 /nfs/dbraw/zinc/80/66/11/430806611.db2.gz XFBPAFRTGVWVJE-SZMVWBNQSA-N 1 3 312.498 2.671 20 0 DFADHO COC[C@H](CCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)OC ZINC000658085431 430806614 /nfs/dbraw/zinc/80/66/14/430806614.db2.gz XFBPAFRTGVWVJE-SZMVWBNQSA-N 1 3 312.498 2.671 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H]2CCN(C3CCCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000658230496 430845710 /nfs/dbraw/zinc/84/57/10/430845710.db2.gz ZEJLJSIFPJYKBF-YSHGAJCASA-N 1 3 305.510 2.856 20 0 DFADHO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccc(OCCN(C)C)cc1 ZINC000658250441 430852930 /nfs/dbraw/zinc/85/29/30/430852930.db2.gz FGHPSOLJEXLEGW-QGTPRVQTSA-N 1 3 318.461 2.581 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[C@H](O)C34CCC4)CC2)C1 ZINC000658257518 430855034 /nfs/dbraw/zinc/85/50/34/430855034.db2.gz YSXMZWPSGMBOCX-SPUZQDLCSA-N 1 3 306.494 2.923 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3C[C@H](O)C34CCC4)CC2)C1 ZINC000658257518 430855037 /nfs/dbraw/zinc/85/50/37/430855037.db2.gz YSXMZWPSGMBOCX-SPUZQDLCSA-N 1 3 306.494 2.923 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)cc1 ZINC000648781846 430889246 /nfs/dbraw/zinc/88/92/46/430889246.db2.gz VCQLARJICFCMCR-QGZVFWFLSA-N 1 3 322.493 2.856 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)cc1 ZINC000648781846 430889249 /nfs/dbraw/zinc/88/92/49/430889249.db2.gz VCQLARJICFCMCR-QGZVFWFLSA-N 1 3 322.493 2.856 20 0 DFADHO COc1ccc(-c2cc(CN[C@@H](C)CCCC[NH3+])on2)cc1 ZINC000665262226 430875005 /nfs/dbraw/zinc/87/50/05/430875005.db2.gz WLIOJKMQQPPMKH-ZDUSSCGKSA-N 1 3 303.406 2.957 20 0 DFADHO Fc1ccc2c(c1)OC[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000665266694 430877130 /nfs/dbraw/zinc/87/71/30/430877130.db2.gz HXJLBKQDROITTA-YYIAUSFCSA-N 1 3 304.409 2.640 20 0 DFADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC23CC(C2)CN3)cc1OC ZINC000665280028 430880728 /nfs/dbraw/zinc/88/07/28/430880728.db2.gz RJZRFGKHBNFDRD-WVGCRTDUSA-N 1 3 304.434 2.537 20 0 DFADHO Cc1ncc([C@H](C)NCC2CC[NH+](CC3CC3)CC2)c(C)n1 ZINC000658355324 430882494 /nfs/dbraw/zinc/88/24/94/430882494.db2.gz IAUCTKSHXQVJSU-ZDUSSCGKSA-N 1 3 302.466 2.866 20 0 DFADHO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)C1CNC1 ZINC000665283050 430882978 /nfs/dbraw/zinc/88/29/78/430882978.db2.gz GNBJGKIQKQHIBL-XHDPSFHLSA-N 1 3 311.267 2.968 20 0 DFADHO CC[C@H](Cc1ccc(Br)cc1)N[C@@H](C)C1C[NH2+]C1 ZINC000665283050 430882981 /nfs/dbraw/zinc/88/29/81/430882981.db2.gz GNBJGKIQKQHIBL-XHDPSFHLSA-N 1 3 311.267 2.968 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@H]2CCN2Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000658349389 430883088 /nfs/dbraw/zinc/88/30/88/430883088.db2.gz SVZPXQYWQNXAJT-ZGXWSNOMSA-N 1 3 313.489 2.723 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@H]2CCN2Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000658349389 430883090 /nfs/dbraw/zinc/88/30/90/430883090.db2.gz SVZPXQYWQNXAJT-ZGXWSNOMSA-N 1 3 313.489 2.723 20 0 DFADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)N1CCCCC1 ZINC000648845269 430910364 /nfs/dbraw/zinc/91/03/64/430910364.db2.gz QBPDIVMGIAVWGG-SJLPKXTDSA-N 1 3 323.525 2.686 20 0 DFADHO COC[C@@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000648867129 430920403 /nfs/dbraw/zinc/92/04/03/430920403.db2.gz SGKFYUJQWSDWCL-GOSISDBHSA-N 1 3 320.477 2.876 20 0 DFADHO COC[C@@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000648867129 430920409 /nfs/dbraw/zinc/92/04/09/430920409.db2.gz SGKFYUJQWSDWCL-GOSISDBHSA-N 1 3 320.477 2.876 20 0 DFADHO c1cc([C@@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCO2)ccn1 ZINC000651966098 430928400 /nfs/dbraw/zinc/92/84/00/430928400.db2.gz PDUVMBPBWWJLPG-MHORFTMASA-N 1 3 301.434 2.518 20 0 DFADHO c1cc([C@@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)CCO2)ccn1 ZINC000651966098 430928405 /nfs/dbraw/zinc/92/84/05/430928405.db2.gz PDUVMBPBWWJLPG-MHORFTMASA-N 1 3 301.434 2.518 20 0 DFADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cc[nH]c(=O)c1 ZINC000645191382 430929610 /nfs/dbraw/zinc/92/96/10/430929610.db2.gz XQVPBJZWAXSDBG-AWEZNQCLSA-N 1 3 315.417 2.578 20 0 DFADHO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccccc1CN1CCCCC1 ZINC000645226210 430941938 /nfs/dbraw/zinc/94/19/38/430941938.db2.gz NNVBBSMLQSYPGQ-SFHVURJKSA-N 1 3 317.477 2.662 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2CC2CCC2)CC1 ZINC000662158790 430984275 /nfs/dbraw/zinc/98/42/75/430984275.db2.gz XIBUDZBSGHUFAB-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO CN(Cc1cccc2c1CC[NH2+]C2)C[C@@H]1COc2ccccc2O1 ZINC000662249652 431012196 /nfs/dbraw/zinc/01/21/96/431012196.db2.gz RKUSGIGKXSXBEG-QGZVFWFLSA-N 1 3 324.424 2.604 20 0 DFADHO CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000645467094 431011096 /nfs/dbraw/zinc/01/10/96/431011096.db2.gz VWQFNSQSIZZSBO-KRWDZBQOSA-N 1 3 303.450 2.984 20 0 DFADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCCCC1 ZINC000655348568 430969952 /nfs/dbraw/zinc/96/99/52/430969952.db2.gz BZJOXLHHELASOX-OKZBNKHCSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCCCC1 ZINC000655348568 430969957 /nfs/dbraw/zinc/96/99/57/430969957.db2.gz BZJOXLHHELASOX-OKZBNKHCSA-N 1 3 321.509 2.630 20 0 DFADHO Clc1ccc([C@H]2CC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256609 431019573 /nfs/dbraw/zinc/01/95/73/431019573.db2.gz WZPWUSSWDHGGOR-GOEBONIOSA-N 1 3 306.837 2.650 20 0 DFADHO Clc1ccc([C@H]2CC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256609 431019579 /nfs/dbraw/zinc/01/95/79/431019579.db2.gz WZPWUSSWDHGGOR-GOEBONIOSA-N 1 3 306.837 2.650 20 0 DFADHO CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662258682 431020227 /nfs/dbraw/zinc/02/02/27/431020227.db2.gz YZBMQWPYERKXJW-ZWKOTPCHSA-N 1 3 302.462 2.851 20 0 DFADHO CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662258682 431020231 /nfs/dbraw/zinc/02/02/31/431020231.db2.gz YZBMQWPYERKXJW-ZWKOTPCHSA-N 1 3 302.462 2.851 20 0 DFADHO C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662257834 431020538 /nfs/dbraw/zinc/02/05/38/431020538.db2.gz RMGFDLPMXOZMES-RTBURBONSA-N 1 3 314.473 2.852 20 0 DFADHO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662257834 431020540 /nfs/dbraw/zinc/02/05/40/431020540.db2.gz RMGFDLPMXOZMES-RTBURBONSA-N 1 3 314.473 2.852 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc3c2CNC3)C1 ZINC000662389606 431069224 /nfs/dbraw/zinc/06/92/24/431069224.db2.gz UDTSTULPHYKRRG-OAHLLOKOSA-N 1 3 315.461 2.532 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc3c2CNC3)C1 ZINC000662389606 431069229 /nfs/dbraw/zinc/06/92/29/431069229.db2.gz UDTSTULPHYKRRG-OAHLLOKOSA-N 1 3 315.461 2.532 20 0 DFADHO Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339995 431025863 /nfs/dbraw/zinc/02/58/63/431025863.db2.gz WVCWMGKMEMKZIX-IBGZPJMESA-N 1 3 310.445 2.711 20 0 DFADHO CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3NCC3(C)C)cc2)CC1 ZINC000645543956 431029074 /nfs/dbraw/zinc/02/90/74/431029074.db2.gz OKCHOIXTJKXPAP-QGZVFWFLSA-N 1 3 315.461 2.855 20 0 DFADHO C[C@H]1CCCN(CCc2nc(-c3ccccc3)no2)[C@@H]1CC[NH3+] ZINC000652355197 431029770 /nfs/dbraw/zinc/02/97/70/431029770.db2.gz QUCIVOOZCCGHCZ-GOEBONIOSA-N 1 3 314.433 2.728 20 0 DFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](OC(C)C)C2)cc1 ZINC000652353198 431030640 /nfs/dbraw/zinc/03/06/40/431030640.db2.gz OXNIYUXSERISFD-WMZOPIPTSA-N 1 3 306.450 2.627 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H](OC(C)C)C2)cc1 ZINC000652353198 431030647 /nfs/dbraw/zinc/03/06/47/431030647.db2.gz OXNIYUXSERISFD-WMZOPIPTSA-N 1 3 306.450 2.627 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H](OC(C)C)C2)cc1 ZINC000652353198 431030653 /nfs/dbraw/zinc/03/06/53/431030653.db2.gz OXNIYUXSERISFD-WMZOPIPTSA-N 1 3 306.450 2.627 20 0 DFADHO C[C@H]1CCCN(CCOCCOc2ccccc2)[C@H]1CC[NH3+] ZINC000652354440 431031050 /nfs/dbraw/zinc/03/10/50/431031050.db2.gz YRDDRJKXJVQBLN-WMZOPIPTSA-N 1 3 306.450 2.531 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)[C@H]1CCN ZINC000652354748 431031268 /nfs/dbraw/zinc/03/12/68/431031268.db2.gz HFQPJEVXEBSWBU-ZBFHGGJFSA-N 1 3 320.433 2.634 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)[C@H]1CCN ZINC000652354748 431031274 /nfs/dbraw/zinc/03/12/74/431031274.db2.gz HFQPJEVXEBSWBU-ZBFHGGJFSA-N 1 3 320.433 2.634 20 0 DFADHO C[C@@H]1CCCN(CCCOc2ccc3c(c2)OCO3)[C@H]1CC[NH3+] ZINC000652354748 431031279 /nfs/dbraw/zinc/03/12/79/431031279.db2.gz HFQPJEVXEBSWBU-ZBFHGGJFSA-N 1 3 320.433 2.634 20 0 DFADHO OCCCN(Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662286849 431034616 /nfs/dbraw/zinc/03/46/16/431034616.db2.gz SRBVUCGWUHHSLM-UHFFFAOYSA-N 1 3 310.441 2.717 20 0 DFADHO COc1c(C)cnc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1C ZINC000662293791 431035007 /nfs/dbraw/zinc/03/50/07/431035007.db2.gz NVCUPOYPMNIZHD-QGZVFWFLSA-N 1 3 317.477 2.919 20 0 DFADHO C[C@H](C(=O)NC1CCCCC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298032 431038447 /nfs/dbraw/zinc/03/84/47/431038447.db2.gz UEGVHVHOXPJIOL-WBVHZDCISA-N 1 3 321.509 2.535 20 0 DFADHO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cccc3c2CCNC3)cn1 ZINC000662310262 431041916 /nfs/dbraw/zinc/04/19/16/431041916.db2.gz IYZHJSNXGXNIDD-OXQOHEQNSA-N 1 3 324.472 2.567 20 0 DFADHO C[C@@H]1CCCN(CC(=O)N(C)C2CCCCC2)[C@@H]1CCC[NH3+] ZINC000662312912 431042263 /nfs/dbraw/zinc/04/22/63/431042263.db2.gz AFXMEVPDYKVGPP-NVXWUHKLSA-N 1 3 309.498 2.617 20 0 DFADHO Cc1ccc2nc(CN3CCC[C@@H](C)[C@H]3CCC[NH3+])cn2c1 ZINC000662313284 431044392 /nfs/dbraw/zinc/04/43/92/431044392.db2.gz JOIUPXMGDXBEGD-NVXWUHKLSA-N 1 3 300.450 2.982 20 0 DFADHO C[C@@H]1CCCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313355 431044758 /nfs/dbraw/zinc/04/47/58/431044758.db2.gz LAFLMMPSZPVKAL-YLFCFFPRSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662352423 431055607 /nfs/dbraw/zinc/05/56/07/431055607.db2.gz VBRHFPCARVOMLH-QAPCUYQASA-N 1 3 315.461 2.602 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662352423 431055611 /nfs/dbraw/zinc/05/56/11/431055611.db2.gz VBRHFPCARVOMLH-QAPCUYQASA-N 1 3 315.461 2.602 20 0 DFADHO CCc1ccc2nccc(NCC[NH+]3CCC(OC)CC3)c2c1 ZINC000649294675 431058390 /nfs/dbraw/zinc/05/83/90/431058390.db2.gz NWIYKJHPYURHIT-UHFFFAOYSA-N 1 3 313.445 2.742 20 0 DFADHO Cc1nccn1[C@@H]1CCCN(CC[N@@H+](C)Cc2ccccc2)C1 ZINC000649296966 431059341 /nfs/dbraw/zinc/05/93/41/431059341.db2.gz VXIOVOLRNCUQRI-LJQANCHMSA-N 1 3 312.461 2.960 20 0 DFADHO Cc1nccn1[C@@H]1CCCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000649296966 431059346 /nfs/dbraw/zinc/05/93/46/431059346.db2.gz VXIOVOLRNCUQRI-LJQANCHMSA-N 1 3 312.461 2.960 20 0 DFADHO CC(C)([NH3+])CCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000649308948 431062200 /nfs/dbraw/zinc/06/22/00/431062200.db2.gz JJIBJVNGBVRRPK-AWEZNQCLSA-N 1 3 323.506 2.594 20 0 DFADHO C[NH+](C)CCc1ccc(NC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000659284273 431012434 /nfs/dbraw/zinc/01/24/34/431012434.db2.gz CVDVJPQPESRYEP-IBGZPJMESA-N 1 3 323.440 2.964 20 0 DFADHO CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662248497 431013487 /nfs/dbraw/zinc/01/34/87/431013487.db2.gz DGUGUUDIMMSWBB-ROUUACIJSA-N 1 3 316.445 2.743 20 0 DFADHO CCOc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662248497 431013488 /nfs/dbraw/zinc/01/34/88/431013488.db2.gz DGUGUUDIMMSWBB-ROUUACIJSA-N 1 3 316.445 2.743 20 0 DFADHO C[C@@H](CNC(=O)C[C@H]1NCc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000659291472 431013761 /nfs/dbraw/zinc/01/37/61/431013761.db2.gz GUEXDCUJDVMHGN-RVKKMQEKSA-N 1 3 315.461 2.600 20 0 DFADHO C[C@@H](CNC(=O)C[C@H]1NCc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000659291472 431013763 /nfs/dbraw/zinc/01/37/63/431013763.db2.gz GUEXDCUJDVMHGN-RVKKMQEKSA-N 1 3 315.461 2.600 20 0 DFADHO C[C@H](CNC(=O)C[C@@H]1NCc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000659291469 431014473 /nfs/dbraw/zinc/01/44/73/431014473.db2.gz GUEXDCUJDVMHGN-RKVPGOIHSA-N 1 3 315.461 2.600 20 0 DFADHO C[C@H](CNC(=O)C[C@@H]1NCc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000659291469 431014479 /nfs/dbraw/zinc/01/44/79/431014479.db2.gz GUEXDCUJDVMHGN-RKVPGOIHSA-N 1 3 315.461 2.600 20 0 DFADHO CC(C)C[N@H+](CCc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662251493 431014703 /nfs/dbraw/zinc/01/47/03/431014703.db2.gz FRAXMPMMXZUYTK-SFHVURJKSA-N 1 3 302.462 2.708 20 0 DFADHO CC(C)C[N@@H+](CCc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662251493 431014709 /nfs/dbraw/zinc/01/47/09/431014709.db2.gz FRAXMPMMXZUYTK-SFHVURJKSA-N 1 3 302.462 2.708 20 0 DFADHO CC(C)[C@@H](CNC(=O)C1(N)CC2(CCC2)C1)[NH+]1CCC(C)CC1 ZINC000659293011 431014799 /nfs/dbraw/zinc/01/47/99/431014799.db2.gz TYXZOWKCMYKDGD-MRXNPFEDSA-N 1 3 321.509 2.521 20 0 DFADHO c1ccc(C[N@H+](CC2CCC2)C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662254910 431015392 /nfs/dbraw/zinc/01/53/92/431015392.db2.gz UXKWJMBMEBJWQQ-GOSISDBHSA-N 1 3 300.446 2.810 20 0 DFADHO c1ccc(C[N@@H+](CC2CCC2)C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662254910 431015393 /nfs/dbraw/zinc/01/53/93/431015393.db2.gz UXKWJMBMEBJWQQ-GOSISDBHSA-N 1 3 300.446 2.810 20 0 DFADHO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCC3(CNC3)O2)C12CCCCC2 ZINC000662255707 431016161 /nfs/dbraw/zinc/01/61/61/431016161.db2.gz DPZQMHRLBWTBNX-BRWVUGGUSA-N 1 3 322.493 2.567 20 0 DFADHO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCC3(CNC3)O2)C12CCCCC2 ZINC000662255707 431016165 /nfs/dbraw/zinc/01/61/65/431016165.db2.gz DPZQMHRLBWTBNX-BRWVUGGUSA-N 1 3 322.493 2.567 20 0 DFADHO c1ccc(CC[C@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662251107 431017338 /nfs/dbraw/zinc/01/73/38/431017338.db2.gz YWUUMXVSCNPRPH-QZTJIDSGSA-N 1 3 300.446 2.605 20 0 DFADHO c1ccc(CC[C@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662251107 431017339 /nfs/dbraw/zinc/01/73/39/431017339.db2.gz YWUUMXVSCNPRPH-QZTJIDSGSA-N 1 3 300.446 2.605 20 0 DFADHO Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662258103 431019084 /nfs/dbraw/zinc/01/90/84/431019084.db2.gz SCGYBKRWJNMUNQ-MSOLQXFVSA-N 1 3 300.446 2.523 20 0 DFADHO Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662258103 431019087 /nfs/dbraw/zinc/01/90/87/431019087.db2.gz SCGYBKRWJNMUNQ-MSOLQXFVSA-N 1 3 300.446 2.523 20 0 DFADHO Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662257931 431019131 /nfs/dbraw/zinc/01/91/31/431019131.db2.gz RILADUXQLAKZOA-ZWKOTPCHSA-N 1 3 300.446 2.523 20 0 DFADHO Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662257931 431019134 /nfs/dbraw/zinc/01/91/34/431019134.db2.gz RILADUXQLAKZOA-ZWKOTPCHSA-N 1 3 300.446 2.523 20 0 DFADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CS1 ZINC000655750985 431113855 /nfs/dbraw/zinc/11/38/55/431113855.db2.gz ILEPVSCJTNOKLH-OLMNPRSZSA-N 1 3 320.502 2.627 20 0 DFADHO Cc1cnccc1CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000645811329 431079233 /nfs/dbraw/zinc/07/92/33/431079233.db2.gz KWRNOJDADFTNES-UHFFFAOYSA-N 1 3 317.477 2.509 20 0 DFADHO Cc1ccc(NC(=O)c2cccc3c2C[NH2+]C3)c(CN(C)C)c1 ZINC000662460079 431086520 /nfs/dbraw/zinc/08/65/20/431086520.db2.gz PQUGLTJACPJKPJ-UHFFFAOYSA-N 1 3 309.413 2.912 20 0 DFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]2c2ccccn2)cc1 ZINC000649411724 431093356 /nfs/dbraw/zinc/09/33/56/431093356.db2.gz ZHBFLMFZHIJING-LPHOPBHVSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000649411724 431093361 /nfs/dbraw/zinc/09/33/61/431093361.db2.gz ZHBFLMFZHIJING-LPHOPBHVSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000649411724 431093364 /nfs/dbraw/zinc/09/33/64/431093364.db2.gz ZHBFLMFZHIJING-LPHOPBHVSA-N 1 3 311.429 2.970 20 0 DFADHO CCCN(C[C@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000649411912 431094613 /nfs/dbraw/zinc/09/46/13/431094613.db2.gz TVEYAQWXLWDVJN-VQTJNVASSA-N 1 3 315.505 2.973 20 0 DFADHO CCc1ccccc1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655716612 431095506 /nfs/dbraw/zinc/09/55/06/431095506.db2.gz ZHKQOHOEEFWFGC-IBGZPJMESA-N 1 3 302.462 2.982 20 0 DFADHO Cc1ccc2nc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000649417797 431095901 /nfs/dbraw/zinc/09/59/01/431095901.db2.gz HFRDUCQBQDCMLA-IAGOWNOFSA-N 1 3 312.461 2.854 20 0 DFADHO CC(C)[NH+](CCCNC(=O)C[C@H]1NCc2ccccc21)C(C)C ZINC000662487581 431095976 /nfs/dbraw/zinc/09/59/76/431095976.db2.gz YPJNJPAEAYXXDV-GOSISDBHSA-N 1 3 317.477 2.846 20 0 DFADHO CC[C@H]([NH2+]C)C(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000662502198 431098434 /nfs/dbraw/zinc/09/84/34/431098434.db2.gz JQHISQILVNJGRO-SZMVWBNQSA-N 1 3 317.477 2.668 20 0 DFADHO C[C@@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)C1CC[NH+](C)CC1 ZINC000666165799 431133364 /nfs/dbraw/zinc/13/33/64/431133364.db2.gz KDKGOIATEUOGOX-DIOULYMOSA-N 1 3 324.490 2.641 20 0 DFADHO CC(C)C[C@H](N)C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000166560520 279174846 /nfs/dbraw/zinc/17/48/46/279174846.db2.gz IIGQJJWDNWJGGE-VJFUWPCTSA-N 1 3 323.525 2.861 20 0 DFADHO CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361527789 279273578 /nfs/dbraw/zinc/27/35/78/279273578.db2.gz SXNDEHUGSYKCEX-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361527789 279273579 /nfs/dbraw/zinc/27/35/79/279273579.db2.gz SXNDEHUGSYKCEX-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361495209 279300404 /nfs/dbraw/zinc/30/04/04/279300404.db2.gz CQJMQSMBDGESGJ-FUHWJXTLSA-N 1 3 321.509 2.584 20 0 DFADHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361495209 279300407 /nfs/dbraw/zinc/30/04/07/279300407.db2.gz CQJMQSMBDGESGJ-FUHWJXTLSA-N 1 3 321.509 2.584 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000192665594 279357399 /nfs/dbraw/zinc/35/73/99/279357399.db2.gz RIDJLFBTHBVPCV-IBGZPJMESA-N 1 3 316.493 2.551 20 0 DFADHO CCC[NH+]1CCC(N(C)C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662691516 431163357 /nfs/dbraw/zinc/16/33/57/431163357.db2.gz SNUBGMLLUNATLN-SFHVURJKSA-N 1 3 315.461 2.554 20 0 DFADHO Cc1cc(CNC2CC[NH+](CCO)CC2)ccc1C(F)(F)F ZINC000666262698 431169500 /nfs/dbraw/zinc/16/95/00/431169500.db2.gz YZZDHFJDSQGFSS-UHFFFAOYSA-N 1 3 316.367 2.560 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000646071431 431170227 /nfs/dbraw/zinc/17/02/27/431170227.db2.gz HQBHNMSNWYXUNT-CKEIUWERSA-N 1 3 323.506 2.621 20 0 DFADHO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000655851598 431185991 /nfs/dbraw/zinc/18/59/91/431185991.db2.gz ZIBPASFQNQGMCM-ORQFMDKSSA-N 1 3 316.445 2.981 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@@H]3CCCOC3)C2)s1 ZINC000649603488 431190309 /nfs/dbraw/zinc/19/03/09/431190309.db2.gz OWANMJRLQYUEQF-JKSUJKDBSA-N 1 3 308.491 2.989 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H]3CCCOC3)C2)s1 ZINC000649603488 431190316 /nfs/dbraw/zinc/19/03/16/431190316.db2.gz OWANMJRLQYUEQF-JKSUJKDBSA-N 1 3 308.491 2.989 20 0 DFADHO CC(C)[C@@H]([NH3+])CC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000646014362 431148748 /nfs/dbraw/zinc/14/87/48/431148748.db2.gz CKFUGWYLNHLWQZ-YJBOKZPZSA-N 1 3 317.477 2.702 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659864454 431155831 /nfs/dbraw/zinc/15/58/31/431155831.db2.gz LGWXHDIYHXOSGF-DQCOHUIHSA-N 1 3 305.510 2.523 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659864454 431155834 /nfs/dbraw/zinc/15/58/34/431155834.db2.gz LGWXHDIYHXOSGF-DQCOHUIHSA-N 1 3 305.510 2.523 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C(=O)CCCC[NH3+])CCN1Cc1ccccc1 ZINC000646046039 431159374 /nfs/dbraw/zinc/15/93/74/431159374.db2.gz AKZZPWPNDGQBTM-AEFFLSMTSA-N 1 3 317.477 2.627 20 0 DFADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000655909412 431213733 /nfs/dbraw/zinc/21/37/33/431213733.db2.gz JBRYBDPKSKOIML-SJORKVTESA-N 1 3 316.449 2.544 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000656201588 431305436 /nfs/dbraw/zinc/30/54/36/431305436.db2.gz SCGMUHIEGCMZNI-QGTPRVQTSA-N 1 3 302.466 2.516 20 0 DFADHO CC(C)Oc1ccc2nccc(N3CC[C@@H](F)[C@H]([NH3+])C3)c2c1 ZINC000663277384 431351701 /nfs/dbraw/zinc/35/17/01/431351701.db2.gz NILJEBBYIOPGBQ-HUUCEWRRSA-N 1 3 303.381 2.898 20 0 DFADHO C[C@H](O)CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000656280234 431352788 /nfs/dbraw/zinc/35/27/88/431352788.db2.gz XJKUSGYIILZPRY-INIZCTEOSA-N 1 3 318.461 2.506 20 0 DFADHO FC(F)(F)Oc1ccccc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666950871 431419082 /nfs/dbraw/zinc/41/90/82/431419082.db2.gz OFQBYYITYGIZHY-CYBMUJFWSA-N 1 3 300.324 2.817 20 0 DFADHO Clc1cc(CN[C@@H]2CC23CC[NH2+]CC3)cc2c1OCCCO2 ZINC000666950798 431419474 /nfs/dbraw/zinc/41/94/74/431419474.db2.gz ILLBTKCUYTWOFP-OAHLLOKOSA-N 1 3 322.836 2.733 20 0 DFADHO Fc1ccc(Br)c(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952534 431423398 /nfs/dbraw/zinc/42/33/98/431423398.db2.gz ZWJCTKRVENDFLU-CYBMUJFWSA-N 1 3 313.214 2.820 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)N[C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000666858086 431386184 /nfs/dbraw/zinc/38/61/84/431386184.db2.gz WIUXPWFRUKZVDW-CVEARBPZSA-N 1 3 303.450 2.752 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCC[NH2+]CC2)c1C ZINC000666857759 431387279 /nfs/dbraw/zinc/38/72/79/431387279.db2.gz HYPANMJJEHZVKX-GOEBONIOSA-N 1 3 303.450 2.752 20 0 DFADHO c1ccc2c(c1)CN(CC[NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000656474068 431400918 /nfs/dbraw/zinc/40/09/18/431400918.db2.gz LFOHRMBCBLPLCM-UHFFFAOYSA-N 1 3 322.456 2.656 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+]CCc3cccc(Cl)c3)C2)CC1 ZINC000656499055 431409248 /nfs/dbraw/zinc/40/92/48/431409248.db2.gz GPMLZMWKUZJAQX-KRWDZBQOSA-N 1 3 321.896 2.641 20 0 DFADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C[C@H]2C1 ZINC000663463651 431428336 /nfs/dbraw/zinc/42/83/36/431428336.db2.gz AQPBKDOSYUZHBZ-NTZUZEMLSA-N 1 3 306.494 2.902 20 0 DFADHO COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466044 431432711 /nfs/dbraw/zinc/43/27/11/431432711.db2.gz NIYAZKXSRCSADB-RBUKOAKNSA-N 1 3 324.509 2.530 20 0 DFADHO COC[C@@H](CC1CCOCC1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466044 431432716 /nfs/dbraw/zinc/43/27/16/431432716.db2.gz NIYAZKXSRCSADB-RBUKOAKNSA-N 1 3 324.509 2.530 20 0 DFADHO COC[C@@H](CC1CCOCC1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466044 431432721 /nfs/dbraw/zinc/43/27/21/431432721.db2.gz NIYAZKXSRCSADB-RBUKOAKNSA-N 1 3 324.509 2.530 20 0 DFADHO CCc1noc(C2CCC([NH2+][C@@H]3CCNC4(CCC4)C3)CC2)n1 ZINC000666995310 431436910 /nfs/dbraw/zinc/43/69/10/431436910.db2.gz JZAVPYNZNDWXTN-YMAMQOFZSA-N 1 3 318.465 2.923 20 0 DFADHO COc1cc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000656784325 431519221 /nfs/dbraw/zinc/51/92/21/431519221.db2.gz COFCIYYGUMCZBX-KRWDZBQOSA-N 1 3 318.461 2.915 20 0 DFADHO Cc1cccn2c(CN3CCC([C@H]4CCC[NH2+]C4)CC3)cnc12 ZINC000656785958 431522847 /nfs/dbraw/zinc/52/28/47/431522847.db2.gz OGLIXUPRTKOINE-KRWDZBQOSA-N 1 3 312.461 2.854 20 0 DFADHO Cn1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c(C(C)(C)C)n1 ZINC000656786182 431522856 /nfs/dbraw/zinc/52/28/56/431522856.db2.gz LWOGODQWOGJCKC-INIZCTEOSA-N 1 3 318.509 2.929 20 0 DFADHO Cc1cccc2ncc(CN3CCC([C@@H]4CCC[NH2+]C4)CC3)n21 ZINC000656786084 431523410 /nfs/dbraw/zinc/52/34/10/431523410.db2.gz KILQYBRYXMJMPO-QGZVFWFLSA-N 1 3 312.461 2.854 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)CN1C1CC1 ZINC000647248767 431527197 /nfs/dbraw/zinc/52/71/97/431527197.db2.gz BQRMRHRQAUTDKT-LBKNJMOBSA-N 1 3 313.489 2.547 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@H]1CCc1ccccc1 ZINC000656701536 431487328 /nfs/dbraw/zinc/48/73/28/431487328.db2.gz XCWPJXFHTGEXJX-OALUTQOASA-N 1 3 304.478 2.785 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@H]1CCc1ccccc1 ZINC000656701536 431487333 /nfs/dbraw/zinc/48/73/33/431487333.db2.gz XCWPJXFHTGEXJX-OALUTQOASA-N 1 3 304.478 2.785 20 0 DFADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000647343969 431559047 /nfs/dbraw/zinc/55/90/47/431559047.db2.gz GTFJNXSCJSSPBN-OJAHFUOMSA-N 1 3 315.505 2.652 20 0 DFADHO CC(C)C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccncc1 ZINC000647302530 431545037 /nfs/dbraw/zinc/54/50/37/431545037.db2.gz DJWYSEYXNRPPRD-GOSISDBHSA-N 1 3 318.509 2.784 20 0 DFADHO Cc1cccc2c1CC(C)(C)[N@H+](C[C@H](O)CN(C)C(C)C)C2 ZINC000660672065 431545424 /nfs/dbraw/zinc/54/54/24/431545424.db2.gz SKNKMYRLRFIWRF-QGZVFWFLSA-N 1 3 304.478 2.833 20 0 DFADHO Cc1cccc2c1CC(C)(C)[N@@H+](C[C@H](O)CN(C)C(C)C)C2 ZINC000660672065 431545426 /nfs/dbraw/zinc/54/54/26/431545426.db2.gz SKNKMYRLRFIWRF-QGZVFWFLSA-N 1 3 304.478 2.833 20 0 DFADHO O[C@H]1CCC[C@@H](CN2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000660675261 431545973 /nfs/dbraw/zinc/54/59/73/431545973.db2.gz HAXWWUYPYMKGDH-MJGOQNOKSA-N 1 3 302.462 2.792 20 0 DFADHO C[C@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2ccccc21 ZINC000290478852 280010118 /nfs/dbraw/zinc/01/01/18/280010118.db2.gz XHZOJTKNXGSNGP-YJBOKZPZSA-N 1 3 301.478 2.851 20 0 DFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)N1CCCCCC1 ZINC000360217535 288197300 /nfs/dbraw/zinc/19/73/00/288197300.db2.gz GPVKWAYMGNHPRH-SJORKVTESA-N 1 3 309.498 2.632 20 0 DFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)N1CCCCCC1 ZINC000360217535 288197301 /nfs/dbraw/zinc/19/73/01/288197301.db2.gz GPVKWAYMGNHPRH-SJORKVTESA-N 1 3 309.498 2.632 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH+]1CCCCC1)N1CCCCC1 ZINC000354571802 280172271 /nfs/dbraw/zinc/17/22/71/280172271.db2.gz GDWUZSWKNJZURP-QZTJIDSGSA-N 1 3 323.525 2.735 20 0 DFADHO Cc1cc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1F ZINC000650707083 431653939 /nfs/dbraw/zinc/65/39/39/431653939.db2.gz YDBQHQPLNPAWRU-XYJFISCASA-N 1 3 306.425 2.852 20 0 DFADHO Cc1ccc(F)c(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650706668 431655166 /nfs/dbraw/zinc/65/51/66/431655166.db2.gz PYLWVXGCRBWWFC-QILLFSRXSA-N 1 3 306.425 2.852 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2ccc(N)nc2)CC1 ZINC000647515401 431612697 /nfs/dbraw/zinc/61/26/97/431612697.db2.gz CFLFVAZPPNCMBV-UHFFFAOYSA-N 1 3 324.472 2.838 20 0 DFADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2ccc(N)nc2)CC1 ZINC000647515401 431612704 /nfs/dbraw/zinc/61/27/04/431612704.db2.gz CFLFVAZPPNCMBV-UHFFFAOYSA-N 1 3 324.472 2.838 20 0 DFADHO NCCC[N@@H+](Cc1ccccc1-n1cncn1)CC1CCCC1 ZINC000647541402 431621400 /nfs/dbraw/zinc/62/14/00/431621400.db2.gz UBHZKTSLMNTHNT-UHFFFAOYSA-N 1 3 313.449 2.608 20 0 DFADHO NCCC[N@H+](Cc1ccccc1-n1cncn1)CC1CCCC1 ZINC000647541402 431621405 /nfs/dbraw/zinc/62/14/05/431621405.db2.gz UBHZKTSLMNTHNT-UHFFFAOYSA-N 1 3 313.449 2.608 20 0 DFADHO c1cc2c(c(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c1)OCO2 ZINC000647542943 431624074 /nfs/dbraw/zinc/62/40/74/431624074.db2.gz FAVXDTGZRLBEBL-HUUCEWRRSA-N 1 3 302.418 2.627 20 0 DFADHO CCOc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543421 431624909 /nfs/dbraw/zinc/62/49/09/431624909.db2.gz NDZHTBXXEZKQLQ-CVEARBPZSA-N 1 3 303.450 2.692 20 0 DFADHO Cc1cccn2c(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cnc12 ZINC000647543408 431625499 /nfs/dbraw/zinc/62/54/99/431625499.db2.gz MUOPTNOKKDEAHL-SJORKVTESA-N 1 3 312.461 2.854 20 0 DFADHO COc1ccc(OC)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543308 431625803 /nfs/dbraw/zinc/62/58/03/431625803.db2.gz KXFWDWZRHBMNQK-JKSUJKDBSA-N 1 3 318.461 2.915 20 0 DFADHO CCN(C)c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543314 431625896 /nfs/dbraw/zinc/62/58/96/431625896.db2.gz KXMJTOTVCOIHPM-QZTJIDSGSA-N 1 3 316.493 2.749 20 0 DFADHO Cc1cccc2nc(CCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cn21 ZINC000647554267 431631074 /nfs/dbraw/zinc/63/10/74/431631074.db2.gz VOTNTKJLOSGXSU-KZNAEPCWSA-N 1 3 312.461 2.696 20 0 DFADHO C[NH2+]Cc1ccccc1CNCc1ccc(OCCOC)cc1 ZINC000650719460 431661742 /nfs/dbraw/zinc/66/17/42/431661742.db2.gz QSWGXSKPNGQITR-UHFFFAOYSA-N 1 3 314.429 2.721 20 0 DFADHO COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000657308468 431665091 /nfs/dbraw/zinc/66/50/91/431665091.db2.gz ZRQSEFGLEIGFNT-NVXWUHKLSA-N 1 3 318.461 2.674 20 0 DFADHO CCOc1ccc(C[NH2+]CCCCN2CCN(C)CC2)c(C)c1 ZINC000657308118 431667233 /nfs/dbraw/zinc/66/72/33/431667233.db2.gz NTXLHYMCSFRQDF-UHFFFAOYSA-N 1 3 319.493 2.511 20 0 DFADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000657314824 431671560 /nfs/dbraw/zinc/67/15/60/431671560.db2.gz AZDRKGREBIHNID-RDJZCZTQSA-N 1 3 306.450 2.532 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2ccccc2F)CCC1 ZINC000650740748 431674449 /nfs/dbraw/zinc/67/44/49/431674449.db2.gz PZJUBQSHAOQYCD-GRDNDAEWSA-N 1 3 306.425 2.589 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740748 431674451 /nfs/dbraw/zinc/67/44/51/431674451.db2.gz PZJUBQSHAOQYCD-GRDNDAEWSA-N 1 3 306.425 2.589 20 0 DFADHO CCCOc1ccc(C[NH2+]C[C@H](O)CN2CCCCC2)c(C)c1 ZINC000657325812 431677767 /nfs/dbraw/zinc/67/77/67/431677767.db2.gz LJIPYEIKTUHUEE-SFHVURJKSA-N 1 3 320.477 2.720 20 0 DFADHO CCCCOc1ncccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793165 431689356 /nfs/dbraw/zinc/68/93/56/431689356.db2.gz NEWIRZOAVAXQGW-DJIMGWMZSA-N 1 3 303.450 2.738 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647801465 431694751 /nfs/dbraw/zinc/69/47/51/431694751.db2.gz WKEFGJDUSJIMHE-QLFBSQMISA-N 1 3 306.475 2.908 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNCc1ccnn1-c1ccncc1 ZINC000657359049 431701415 /nfs/dbraw/zinc/70/14/15/431701415.db2.gz QDZKCRWQDPELSE-MRXNPFEDSA-N 1 3 313.449 2.621 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNCc1ccnn1-c1ccncc1 ZINC000657359049 431701420 /nfs/dbraw/zinc/70/14/20/431701420.db2.gz QDZKCRWQDPELSE-MRXNPFEDSA-N 1 3 313.449 2.621 20 0 DFADHO CC[C@@H]1CCCCN1CC[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657359049 431701427 /nfs/dbraw/zinc/70/14/27/431701427.db2.gz QDZKCRWQDPELSE-MRXNPFEDSA-N 1 3 313.449 2.621 20 0 DFADHO CC[C@H]1C[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CO1 ZINC000657460523 431765070 /nfs/dbraw/zinc/76/50/70/431765070.db2.gz ZRDYZJGKYBSVOC-IRXDYDNUSA-N 1 3 318.461 2.817 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000647964154 431754607 /nfs/dbraw/zinc/75/46/07/431754607.db2.gz VJCKSAOBOBXKNS-RBUKOAKNSA-N 1 3 304.478 2.741 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000647964154 431754615 /nfs/dbraw/zinc/75/46/15/431754615.db2.gz VJCKSAOBOBXKNS-RBUKOAKNSA-N 1 3 304.478 2.741 20 0 DFADHO Cc1ccc(C(C)(C)C[N@@H+](C)C[C@@H](O)CN(C)C(C)C)cc1 ZINC000647965017 431757329 /nfs/dbraw/zinc/75/73/29/431757329.db2.gz BXMPIJGSYMACNH-GOSISDBHSA-N 1 3 306.494 2.906 20 0 DFADHO Cc1ccc(C(C)(C)C[N@H+](C)C[C@@H](O)CN(C)C(C)C)cc1 ZINC000647965017 431757334 /nfs/dbraw/zinc/75/73/34/431757334.db2.gz BXMPIJGSYMACNH-GOSISDBHSA-N 1 3 306.494 2.906 20 0 DFADHO Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000657452707 431760175 /nfs/dbraw/zinc/76/01/75/431760175.db2.gz IKTBHCYNJPHAFV-KRWDZBQOSA-N 1 3 324.472 2.909 20 0 DFADHO C[C@H](C(=O)NC1CCCCC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976907 431761832 /nfs/dbraw/zinc/76/18/32/431761832.db2.gz VYDFFCFDQHXQQX-IKGGRYGDSA-N 1 3 321.509 2.535 20 0 DFADHO CCCn1nccc1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000657499385 431788763 /nfs/dbraw/zinc/78/87/63/431788763.db2.gz DLWROSZGECSOOA-MJGOQNOKSA-N 1 3 312.461 2.728 20 0 DFADHO CC[C@H](C(=O)N[C@@H](CN(C)C)c1ccccc1)[NH+](CC)CC ZINC000274166415 280683013 /nfs/dbraw/zinc/68/30/13/280683013.db2.gz NACHQDDISFEPJA-DLBZAZTESA-N 1 3 305.466 2.526 20 0 DFADHO Fc1cccc(F)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657536214 431800839 /nfs/dbraw/zinc/80/08/39/431800839.db2.gz HICYNIXVMZFEFW-UHFFFAOYSA-N 1 3 324.415 2.945 20 0 DFADHO Cc1cc(C)c(CN2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000648071508 431809128 /nfs/dbraw/zinc/80/91/28/431809128.db2.gz GAMMCRJMNDHIQQ-UHFFFAOYSA-N 1 3 302.462 2.908 20 0 DFADHO CC(C)CC[NH+]1CCC(CNCc2cnc3ccnn3c2)CC1 ZINC000648019548 431785433 /nfs/dbraw/zinc/78/54/33/431785433.db2.gz GSDMYLPKNOOCQQ-UHFFFAOYSA-N 1 3 315.465 2.577 20 0 DFADHO Cc1ccc([C@@H](O)CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171138696 280951339 /nfs/dbraw/zinc/95/13/39/280951339.db2.gz OQELIEAFFGHBFS-IBGZPJMESA-N 1 3 302.462 2.836 20 0 DFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000370638792 281356435 /nfs/dbraw/zinc/35/64/35/281356435.db2.gz ZHDXKWMPDVGZJV-SJORKVTESA-N 1 3 301.478 2.814 20 0 DFADHO C[N@H+](CCOc1ccccc1)C1CCN(C2CCOCC2)CC1 ZINC000362425487 289076172 /nfs/dbraw/zinc/07/61/72/289076172.db2.gz QHYRJMWDEQEMQI-UHFFFAOYSA-N 1 3 318.461 2.641 20 0 DFADHO C[N@@H+](CCOc1ccccc1)C1CCN(C2CCOCC2)CC1 ZINC000362425487 289076175 /nfs/dbraw/zinc/07/61/75/289076175.db2.gz QHYRJMWDEQEMQI-UHFFFAOYSA-N 1 3 318.461 2.641 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCCOC(C)(C)C ZINC000354729265 289333914 /nfs/dbraw/zinc/33/39/14/289333914.db2.gz ISIYFYBDEOZZNP-IKGGRYGDSA-N 1 3 312.498 2.765 20 0 DFADHO C[C@H](C(=O)NC1CCCCC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374173161 289347764 /nfs/dbraw/zinc/34/77/64/289347764.db2.gz HCKASYPORZFIPG-MRXNPFEDSA-N 1 3 321.509 2.632 20 0 DFADHO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2CCCN2CCCCC2)n1 ZINC000372544136 293246199 /nfs/dbraw/zinc/24/61/99/293246199.db2.gz GBLQGGLYWBCYNG-SFHVURJKSA-N 1 3 319.497 2.625 20 0 DFADHO Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2CCCN2CCCCC2)n1 ZINC000372544136 293246201 /nfs/dbraw/zinc/24/62/01/293246201.db2.gz GBLQGGLYWBCYNG-SFHVURJKSA-N 1 3 319.497 2.625 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437870764 297073043 /nfs/dbraw/zinc/07/30/43/297073043.db2.gz SSLAZBQQFCQNKG-JZXOWHBKSA-N 1 3 321.509 2.773 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437870764 297073044 /nfs/dbraw/zinc/07/30/44/297073044.db2.gz SSLAZBQQFCQNKG-JZXOWHBKSA-N 1 3 321.509 2.773 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@@H]1C ZINC000495095915 299903329 /nfs/dbraw/zinc/90/33/29/299903329.db2.gz YQZSIGFKHHEZJS-CLCXKQKWSA-N 1 3 302.462 2.777 20 0 DFADHO CCC(CC)(CNC(=O)CNC1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000154661455 295304320 /nfs/dbraw/zinc/30/43/20/295304320.db2.gz MUWJJGGYRGWYPB-OAHLLOKOSA-N 1 3 317.477 2.764 20 0 DFADHO C[C@@H]1C[C@@H](C)CN(CC2(C[N@H+]3C[C@H](C)C[C@H](C)C3)COC2)C1 ZINC000157330196 295347325 /nfs/dbraw/zinc/34/73/25/295347325.db2.gz PFQFHBYITXJHGN-TVFCKZIOSA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H]1C[C@@H](C)CN(CC2(C[N@@H+]3C[C@H](C)C[C@H](C)C3)COC2)C1 ZINC000157330196 295347326 /nfs/dbraw/zinc/34/73/26/295347326.db2.gz PFQFHBYITXJHGN-TVFCKZIOSA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CC2(CN3C[C@H](C)C[C@H](C)C3)COC2)C1 ZINC000157330196 295347329 /nfs/dbraw/zinc/34/73/29/295347329.db2.gz PFQFHBYITXJHGN-TVFCKZIOSA-N 1 3 308.510 2.959 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]CCCN1C[C@@H](C)C[C@H](C)C1 ZINC000158680018 295366233 /nfs/dbraw/zinc/36/62/33/295366233.db2.gz YTJKOPXHIRFGGH-ULQDDVLXSA-N 1 3 311.514 2.591 20 0 DFADHO CC[NH+](CC)CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411250979 295533807 /nfs/dbraw/zinc/53/38/07/295533807.db2.gz GYJGIZLKTPLNQH-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO CC[C@H]1CCCCN1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438569951 297099137 /nfs/dbraw/zinc/09/91/37/297099137.db2.gz UZGNSSXLOALYIR-WMZOPIPTSA-N 1 3 321.509 2.774 20 0 DFADHO CC[C@H]1CCCCN1CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438569951 297099139 /nfs/dbraw/zinc/09/91/39/297099139.db2.gz UZGNSSXLOALYIR-WMZOPIPTSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@H](CNC(=O)[C@H]1CCCN1C1CCCC1)C[NH+]1CCCCC1 ZINC000438568776 297099280 /nfs/dbraw/zinc/09/92/80/297099280.db2.gz QQOGSRDWWUAFDA-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N(C)c2ccccc2)C[C@H]1C ZINC000441150303 297173157 /nfs/dbraw/zinc/17/31/57/297173157.db2.gz CYANHOXCABDTSR-AEFFLSMTSA-N 1 3 317.477 2.844 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N(C)c2ccccc2)C[C@H]1C ZINC000441150303 297173158 /nfs/dbraw/zinc/17/31/58/297173158.db2.gz CYANHOXCABDTSR-AEFFLSMTSA-N 1 3 317.477 2.844 20 0 DFADHO CC(C)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)cn1 ZINC000442878432 297209260 /nfs/dbraw/zinc/20/92/60/297209260.db2.gz TZCTUXWKSXHASZ-QGZVFWFLSA-N 1 3 322.472 2.533 20 0 DFADHO CCC[C@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443060877 297214387 /nfs/dbraw/zinc/21/43/87/297214387.db2.gz PXYMRJRIKGUTJA-WMZOPIPTSA-N 1 3 317.477 2.705 20 0 DFADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccc(C)cn2)CC1 ZINC000447314313 297300909 /nfs/dbraw/zinc/30/09/09/297300909.db2.gz MQQXXRQZJPUGCQ-UHFFFAOYSA-N 1 3 318.465 2.525 20 0 DFADHO Cc1cccc(CCN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000449048570 297397708 /nfs/dbraw/zinc/39/77/08/297397708.db2.gz PWAKVBHXAMCJOC-GBESFXJTSA-N 1 3 302.462 2.721 20 0 DFADHO C[C@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000245945966 298022835 /nfs/dbraw/zinc/02/28/35/298022835.db2.gz WQOLYSDJUSMTCE-XDNAFOTISA-N 1 3 321.509 2.725 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21)N(C)C ZINC000453117714 298063913 /nfs/dbraw/zinc/06/39/13/298063913.db2.gz ZNQQIKQNXSKDQL-VBSBHUPXSA-N 1 3 315.505 2.969 20 0 DFADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccncc1 ZINC000453157525 298067718 /nfs/dbraw/zinc/06/77/18/298067718.db2.gz GOIHOFFJEWUILP-FHWLQOOXSA-N 1 3 317.477 2.890 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453179636 298069069 /nfs/dbraw/zinc/06/90/69/298069069.db2.gz UYYOJGIXIOTDQQ-AKHDSKFASA-N 1 3 300.446 2.808 20 0 DFADHO c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453179636 298069071 /nfs/dbraw/zinc/06/90/71/298069071.db2.gz UYYOJGIXIOTDQQ-AKHDSKFASA-N 1 3 300.446 2.808 20 0 DFADHO CC(C)OCCOC1CCN([C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000453354434 298086680 /nfs/dbraw/zinc/08/66/80/298086680.db2.gz JSCXVVDDUVRRLA-SJORKVTESA-N 1 3 310.482 2.519 20 0 DFADHO CC(C)OCCOC1CCN([C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000453354434 298086682 /nfs/dbraw/zinc/08/66/82/298086682.db2.gz JSCXVVDDUVRRLA-SJORKVTESA-N 1 3 310.482 2.519 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(N2CCOC2=O)c1 ZINC000496161541 300023944 /nfs/dbraw/zinc/02/39/44/300023944.db2.gz NQCFDTGFFIJJAG-APHBMKBZSA-N 1 3 303.406 2.564 20 0 DFADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCOC2=O)c1 ZINC000496284984 300040955 /nfs/dbraw/zinc/04/09/55/300040955.db2.gz QDTJAOADEAKHND-CFVMTHIKSA-N 1 3 303.406 2.564 20 0 DFADHO O[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000507461401 300235818 /nfs/dbraw/zinc/23/58/18/300235818.db2.gz LUHLBRUZSLPQSK-VYJAJWGXSA-N 1 3 314.473 2.790 20 0 DFADHO CC(C)N(CCCc1cncn1C)CC[NH+]1CCCCCC1 ZINC000514947782 300281549 /nfs/dbraw/zinc/28/15/49/300281549.db2.gz KFKAEFMVUNUKMN-UHFFFAOYSA-N 1 3 306.498 2.939 20 0 DFADHO C[C@H](Cc1ccsc1)NCc1cc(C2CC[NH2+]CC2)no1 ZINC000515414902 300305866 /nfs/dbraw/zinc/30/58/66/300305866.db2.gz XHZXJXPHEAQNOX-GFCCVEGCSA-N 1 3 305.447 2.924 20 0 DFADHO CN1CCC[C@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000515654470 300316724 /nfs/dbraw/zinc/31/67/24/300316724.db2.gz SUGSTEDGBWPAJG-IAGOWNOFSA-N 1 3 309.498 2.522 20 0 DFADHO C[C@H](CNC[C@H](O)Cc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000516048458 300327489 /nfs/dbraw/zinc/32/74/89/300327489.db2.gz HGGBZWYKTYGQJK-RHSMWYFYSA-N 1 3 310.869 2.565 20 0 DFADHO C[C@H](C[NH2+]C[C@H](O)Cc1cccc(Cl)c1)CN1CCCC1 ZINC000516048458 300327492 /nfs/dbraw/zinc/32/74/92/300327492.db2.gz HGGBZWYKTYGQJK-RHSMWYFYSA-N 1 3 310.869 2.565 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000516492001 300345324 /nfs/dbraw/zinc/34/53/24/300345324.db2.gz QCIHVKWOIVLBDX-ULQDDVLXSA-N 1 3 305.441 2.962 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000516492001 300345325 /nfs/dbraw/zinc/34/53/25/300345325.db2.gz QCIHVKWOIVLBDX-ULQDDVLXSA-N 1 3 305.441 2.962 20 0 DFADHO CCOC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000517025136 300377815 /nfs/dbraw/zinc/37/78/15/300377815.db2.gz UFBYOCGABZRCPW-LPHOPBHVSA-N 1 3 320.477 2.548 20 0 DFADHO CCOC[C@@H](O)CNCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000517025136 300377818 /nfs/dbraw/zinc/37/78/18/300377818.db2.gz UFBYOCGABZRCPW-LPHOPBHVSA-N 1 3 320.477 2.548 20 0 DFADHO C[C@H]([NH2+]C1CCN(C2CCN(C)CC2)CC1)C1CC(F)(F)C1 ZINC000529536972 300945888 /nfs/dbraw/zinc/94/58/88/300945888.db2.gz BPOFNLMNUKPPHU-ZDUSSCGKSA-N 1 3 315.452 2.568 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1cccc2c1OC(F)(F)O2 ZINC000530216210 301029857 /nfs/dbraw/zinc/02/98/57/301029857.db2.gz OAVPBOIGHUSTCT-DGCLKSJQSA-N 1 3 312.360 2.528 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530216210 301029860 /nfs/dbraw/zinc/02/98/60/301029860.db2.gz OAVPBOIGHUSTCT-DGCLKSJQSA-N 1 3 312.360 2.528 20 0 DFADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)N(CC)CC ZINC000531049002 301077314 /nfs/dbraw/zinc/07/73/14/301077314.db2.gz ZOPXYABYYDTCJE-QGZVFWFLSA-N 1 3 311.514 2.686 20 0 DFADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)N(CC)CC ZINC000531049002 301077316 /nfs/dbraw/zinc/07/73/16/301077316.db2.gz ZOPXYABYYDTCJE-QGZVFWFLSA-N 1 3 311.514 2.686 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000531785871 301110394 /nfs/dbraw/zinc/11/03/94/301110394.db2.gz XUZPFIBQKMDIGO-FUHWJXTLSA-N 1 3 301.478 2.964 20 0 DFADHO CC[C@H]([NH2+]Cc1ccccc1OCCN(C)C)C1CCOCC1 ZINC000532205595 301136375 /nfs/dbraw/zinc/13/63/75/301136375.db2.gz PUDPDJWAPHSLCO-SFHVURJKSA-N 1 3 320.477 2.922 20 0 DFADHO COc1cc(C)ccc1[C@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000532459727 301154185 /nfs/dbraw/zinc/15/41/85/301154185.db2.gz ZRVIOPWTWNPMII-INIZCTEOSA-N 1 3 319.493 2.680 20 0 DFADHO Cc1cc(C)c2c(c1)[C@H]([NH2+]CC1(O)CCN(C)CC1)CCCO2 ZINC000269069437 301211549 /nfs/dbraw/zinc/21/15/49/301211549.db2.gz WOVQOBWPYPMLCI-QGZVFWFLSA-N 1 3 318.461 2.563 20 0 DFADHO CCc1ccc(CCN(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000536452303 301274426 /nfs/dbraw/zinc/27/44/26/301274426.db2.gz CAPFGDQUYPNPBG-UHFFFAOYSA-N 1 3 317.521 2.749 20 0 DFADHO CCc1ccc(CCN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000536452303 301274428 /nfs/dbraw/zinc/27/44/28/301274428.db2.gz CAPFGDQUYPNPBG-UHFFFAOYSA-N 1 3 317.521 2.749 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(Cc2cnc(N(C)C)s2)CC1 ZINC000536652201 301285686 /nfs/dbraw/zinc/28/56/86/301285686.db2.gz KPYHQSCPOMSXJQ-UHFFFAOYSA-N 1 3 310.511 2.761 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(Cc2cnc(N(C)C)s2)CC1 ZINC000536652201 301285689 /nfs/dbraw/zinc/28/56/89/301285689.db2.gz KPYHQSCPOMSXJQ-UHFFFAOYSA-N 1 3 310.511 2.761 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN([C@H]2CCCN(C)C2=O)CC1 ZINC000537607189 301305822 /nfs/dbraw/zinc/30/58/22/301305822.db2.gz SBTPGXKQEBACME-WMZOPIPTSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN([C@H]2CCCN(C)C2=O)CC1 ZINC000537607189 301305825 /nfs/dbraw/zinc/30/58/25/301305825.db2.gz SBTPGXKQEBACME-WMZOPIPTSA-N 1 3 321.509 2.584 20 0 DFADHO CC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccn(C)n1 ZINC000544570511 301453355 /nfs/dbraw/zinc/45/33/55/301453355.db2.gz XNZQZPQDSCUOLA-QGZVFWFLSA-N 1 3 313.449 2.772 20 0 DFADHO O=C(C[NH2+][C@H]1CCC[C@@H](C2CC2)C1)NCCN1CCCCCC1 ZINC000552064822 301679644 /nfs/dbraw/zinc/67/96/44/301679644.db2.gz RIDYUVBCYKOHSU-MSOLQXFVSA-N 1 3 321.509 2.537 20 0 DFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])N(C)C)cc1 ZINC000263217900 301795500 /nfs/dbraw/zinc/79/55/00/301795500.db2.gz LGCPIEXLSYZIFV-JENIJYKNSA-N 1 3 317.477 2.622 20 0 DFADHO C[NH+](C)CCCCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000560696581 301911003 /nfs/dbraw/zinc/91/10/03/301911003.db2.gz LMYQUZIKUMHRAL-GOSISDBHSA-N 1 3 317.477 2.672 20 0 DFADHO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000562063600 301950631 /nfs/dbraw/zinc/95/06/31/301950631.db2.gz FAIJPEWZQJLTSZ-NVXWUHKLSA-N 1 3 308.466 2.542 20 0 DFADHO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000562063601 301950652 /nfs/dbraw/zinc/95/06/52/301950652.db2.gz FAIJPEWZQJLTSZ-RDJZCZTQSA-N 1 3 308.466 2.542 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000562958942 302017897 /nfs/dbraw/zinc/01/78/97/302017897.db2.gz YOTPTIUQDUFDMB-JVPBZIDWSA-N 1 3 311.429 2.591 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000562959263 302018371 /nfs/dbraw/zinc/01/83/71/302018371.db2.gz OSOCPCIAXPTAFC-ZACQAIPSSA-N 1 3 307.869 2.946 20 0 DFADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000562959263 302018375 /nfs/dbraw/zinc/01/83/75/302018375.db2.gz OSOCPCIAXPTAFC-ZACQAIPSSA-N 1 3 307.869 2.946 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000562960440 302018547 /nfs/dbraw/zinc/01/85/47/302018547.db2.gz XXENWZIUQSSERO-HUUCEWRRSA-N 1 3 316.474 2.855 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCc1nc(-c2ccncc2)cs1 ZINC000562960440 302018548 /nfs/dbraw/zinc/01/85/48/302018548.db2.gz XXENWZIUQSSERO-HUUCEWRRSA-N 1 3 316.474 2.855 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC(C)(C)C)CC2)CC1 ZINC000563377458 302068235 /nfs/dbraw/zinc/06/82/35/302068235.db2.gz QDHCHVQLLPJHKD-UHFFFAOYSA-N 1 3 323.525 2.735 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000563422713 302071077 /nfs/dbraw/zinc/07/10/77/302071077.db2.gz ASOLRJLXDCYMST-QWHCGFSZSA-N 1 3 317.355 2.729 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000563422713 302071079 /nfs/dbraw/zinc/07/10/79/302071079.db2.gz ASOLRJLXDCYMST-QWHCGFSZSA-N 1 3 317.355 2.729 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000563422714 302071150 /nfs/dbraw/zinc/07/11/50/302071150.db2.gz ASOLRJLXDCYMST-STQMWFEESA-N 1 3 317.355 2.729 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000563422714 302071152 /nfs/dbraw/zinc/07/11/52/302071152.db2.gz ASOLRJLXDCYMST-STQMWFEESA-N 1 3 317.355 2.729 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000563422709 302071353 /nfs/dbraw/zinc/07/13/53/302071353.db2.gz ASOLRJLXDCYMST-CHWSQXEVSA-N 1 3 317.355 2.729 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000563422709 302071354 /nfs/dbraw/zinc/07/13/54/302071354.db2.gz ASOLRJLXDCYMST-CHWSQXEVSA-N 1 3 317.355 2.729 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000563582679 302084189 /nfs/dbraw/zinc/08/41/89/302084189.db2.gz QUHBLZCLFTZFAI-LJQANCHMSA-N 1 3 316.493 2.540 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1)C1CC1 ZINC000563961195 302112237 /nfs/dbraw/zinc/11/22/37/302112237.db2.gz ZBUNWFDHNQWQHT-KBPBESRZSA-N 1 3 303.450 2.527 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000564649639 302147086 /nfs/dbraw/zinc/14/70/86/302147086.db2.gz HVGJEGHEAZWQIB-UXLLHSPISA-N 1 3 303.450 2.819 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000564649639 302147088 /nfs/dbraw/zinc/14/70/88/302147088.db2.gz HVGJEGHEAZWQIB-UXLLHSPISA-N 1 3 303.450 2.819 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cncc(Br)c1 ZINC000564742275 302155721 /nfs/dbraw/zinc/15/57/21/302155721.db2.gz YBPTUXHOFGGWQH-NWDGAFQWSA-N 1 3 324.266 2.979 20 0 DFADHO C[C@H]1C[C@H]([NH2+]C2CC(N(C)C)C2)CCN1Cc1ccccc1 ZINC000565218806 302209100 /nfs/dbraw/zinc/20/91/00/302209100.db2.gz PCKPQNRBTDVMCO-XMZVIZOASA-N 1 3 301.478 2.722 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000565225619 302210384 /nfs/dbraw/zinc/21/03/84/302210384.db2.gz GHZFJYGLACTDMF-ZIAGYGMSSA-N 1 3 320.824 2.792 20 0 DFADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000565887591 302246988 /nfs/dbraw/zinc/24/69/88/302246988.db2.gz WQCZLTBAUMROQB-ZHALLVOQSA-N 1 3 304.478 2.719 20 0 DFADHO CC(C)C[N@H+]1CC[C@H](CNC[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000565887591 302246992 /nfs/dbraw/zinc/24/69/92/302246992.db2.gz WQCZLTBAUMROQB-ZHALLVOQSA-N 1 3 304.478 2.719 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(NC(=O)c3cccnc3)cc2)C1 ZINC000566020540 302254314 /nfs/dbraw/zinc/25/43/14/302254314.db2.gz TZYOLWWKXSQHHY-WMZOPIPTSA-N 1 3 324.428 2.693 20 0 DFADHO COc1ccccc1OCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000566089375 302258411 /nfs/dbraw/zinc/25/84/11/302258411.db2.gz HXBQKQDOCBXYBM-ZDUSSCGKSA-N 1 3 315.417 2.587 20 0 DFADHO C[C@H](NCc1cc(N(C)C)nc2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000566089586 302258620 /nfs/dbraw/zinc/25/86/20/302258620.db2.gz UQWYNCAZRQXCOY-GJZGRUSLSA-N 1 3 312.461 2.779 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)CCc2ccccc2)C1 ZINC000566114539 302260678 /nfs/dbraw/zinc/26/06/78/302260678.db2.gz IZPINZIHWADANS-VQTJNVASSA-N 1 3 318.505 2.938 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)CCc2ccccc2)C1 ZINC000566114539 302260682 /nfs/dbraw/zinc/26/06/82/302260682.db2.gz IZPINZIHWADANS-VQTJNVASSA-N 1 3 318.505 2.938 20 0 DFADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000566114539 302260684 /nfs/dbraw/zinc/26/06/84/302260684.db2.gz IZPINZIHWADANS-VQTJNVASSA-N 1 3 318.505 2.938 20 0 DFADHO CCC(CC)(CNC(=O)[C@H](C)NC)[NH2+][C@@H](C)c1ccccc1 ZINC000567248574 302344833 /nfs/dbraw/zinc/34/48/33/302344833.db2.gz HFNBZMZWFGEEJV-GJZGRUSLSA-N 1 3 305.466 2.620 20 0 DFADHO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@]1(C)CCCNC1 ZINC000567471858 302361540 /nfs/dbraw/zinc/36/15/40/302361540.db2.gz PRGSIXTVFSKWHR-KSSFIOAISA-N 1 3 300.450 2.863 20 0 DFADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@]1(C)CCCNC1 ZINC000567471859 302361641 /nfs/dbraw/zinc/36/16/41/302361641.db2.gz PRGSIXTVFSKWHR-RDTXWAMCSA-N 1 3 300.450 2.863 20 0 DFADHO C[C@@H](NCCc1cccc(C(F)(F)F)n1)[C@H]1CCC[NH2+]C1 ZINC000567490145 302363809 /nfs/dbraw/zinc/36/38/09/302363809.db2.gz VVCTVFRSGZHEJQ-NEPJUHHUSA-N 1 3 301.356 2.621 20 0 DFADHO COC1CCN(C2(C[NH2+][C@@H]3CCCCC[C@H]3N)CCCC2)CC1 ZINC000567579875 302369813 /nfs/dbraw/zinc/36/98/13/302369813.db2.gz OWKVXHUZBCTDCZ-QZTJIDSGSA-N 1 3 323.525 2.660 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000567642378 302375778 /nfs/dbraw/zinc/37/57/78/302375778.db2.gz RELFOFGVAIHTKU-FUHWJXTLSA-N 1 3 324.428 2.551 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000567642377 302376006 /nfs/dbraw/zinc/37/60/06/302376006.db2.gz RELFOFGVAIHTKU-AEFFLSMTSA-N 1 3 324.428 2.551 20 0 DFADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)C1CCCCC1 ZINC000572356358 302657367 /nfs/dbraw/zinc/65/73/67/302657367.db2.gz HBWSIKKGCGQVLG-SFHVURJKSA-N 1 3 320.477 2.658 20 0 DFADHO CC[C@H]1CCC[C@H](CN2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000182958132 316124007 /nfs/dbraw/zinc/12/40/07/316124007.db2.gz KGNVAFMDKOCPLG-OALUTQOASA-N 1 3 307.526 2.916 20 0 DFADHO CC[C@@H]1CCC[C@H](CN2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000182958116 316124604 /nfs/dbraw/zinc/12/46/04/316124604.db2.gz KGNVAFMDKOCPLG-MOPGFXCFSA-N 1 3 307.526 2.916 20 0 DFADHO CCC[C@@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cccnc1 ZINC000185021576 316177827 /nfs/dbraw/zinc/17/78/27/316177827.db2.gz DQVDFLHABIABEK-SJLPKXTDSA-N 1 3 304.482 2.538 20 0 DFADHO C[C@H](NCCC(=O)NC1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749754 316191085 /nfs/dbraw/zinc/19/10/85/316191085.db2.gz HEKGKQKZRAETCX-HOTGVXAUSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@H](NCCC(=O)NC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749754 316191088 /nfs/dbraw/zinc/19/10/88/316191088.db2.gz HEKGKQKZRAETCX-HOTGVXAUSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@H]([NH2+]CCC(=O)NC1CCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000185749754 316191092 /nfs/dbraw/zinc/19/10/92/316191092.db2.gz HEKGKQKZRAETCX-HOTGVXAUSA-N 1 3 321.509 2.678 20 0 DFADHO [NH3+][C@H](CCC(=O)N1CC[C@H](N2CCCCC2)C1)c1ccccc1 ZINC000321394266 316256571 /nfs/dbraw/zinc/25/65/71/316256571.db2.gz OZNVQGFJCWYIST-ZWKOTPCHSA-N 1 3 315.461 2.553 20 0 DFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000346098800 316318203 /nfs/dbraw/zinc/31/82/03/316318203.db2.gz LSGVYNFVYCPRRO-DZGCQCFKSA-N 1 3 323.868 2.578 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2c(C)noc2C)[C@@H](C)C1 ZINC000346598441 316318856 /nfs/dbraw/zinc/31/88/56/316318856.db2.gz GABTYLNPFGUMNL-KSSFIOAISA-N 1 3 323.481 2.561 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCc2c(C)noc2C)[C@@H](C)C1 ZINC000346598441 316318859 /nfs/dbraw/zinc/31/88/59/316318859.db2.gz GABTYLNPFGUMNL-KSSFIOAISA-N 1 3 323.481 2.561 20 0 DFADHO CCOc1cc(CN[C@@H]2CCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000414788635 316657111 /nfs/dbraw/zinc/65/71/11/316657111.db2.gz DROLWSMRUBNGGO-CHWSQXEVSA-N 1 3 314.376 2.904 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414796338 316660810 /nfs/dbraw/zinc/66/08/10/316660810.db2.gz HOIXSBZMMQHBEN-WCQYABFASA-N 1 3 320.330 2.984 20 0 DFADHO CC[C@@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)N(CC)CC ZINC000423951955 316783918 /nfs/dbraw/zinc/78/39/18/316783918.db2.gz PNHYSTRIHRTKMR-ZDUSSCGKSA-N 1 3 324.494 2.669 20 0 DFADHO CCc1cc(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000450300449 317080986 /nfs/dbraw/zinc/08/09/86/317080986.db2.gz CXPHWTSNWAHJEU-IYBDPMFKSA-N 1 3 317.477 2.970 20 0 DFADHO Cc1cnc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cn1 ZINC000453406443 317183751 /nfs/dbraw/zinc/18/37/51/317183751.db2.gz QYJVEBBDOOKENJ-UHFFFAOYSA-N 1 3 302.466 2.714 20 0 DFADHO CCO[C@@H]1C[C@H](NCc2ccc(C[NH+](C)C)cc2)[C@@H]1SC ZINC000459380765 317324926 /nfs/dbraw/zinc/32/49/26/317324926.db2.gz QTXFTABXKYGSGQ-BBWFWOEESA-N 1 3 308.491 2.747 20 0 DFADHO CC(C)N1CCC(O)(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488434513 317392786 /nfs/dbraw/zinc/39/27/86/317392786.db2.gz PIJXNBPFXXIQFC-GJZGRUSLSA-N 1 3 314.539 2.732 20 0 DFADHO COc1ccc(C(C)(C)CN[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000573385699 318017350 /nfs/dbraw/zinc/01/73/50/318017350.db2.gz GJHOOHORHKVIEI-CABCVRRESA-N 1 3 306.450 2.841 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H](N)C2)cc1OC ZINC000573385699 318017348 /nfs/dbraw/zinc/01/73/48/318017348.db2.gz GJHOOHORHKVIEI-CABCVRRESA-N 1 3 306.450 2.841 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)Cc2ccccc2)C1 ZINC000574512341 318022716 /nfs/dbraw/zinc/02/27/16/318022716.db2.gz LMADPDSPJXGEFZ-RBUKOAKNSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)Cc2ccccc2)C1 ZINC000574512341 318022719 /nfs/dbraw/zinc/02/27/19/318022719.db2.gz LMADPDSPJXGEFZ-RBUKOAKNSA-N 1 3 304.478 2.548 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)Cn1cccn1 ZINC000575019356 318057684 /nfs/dbraw/zinc/05/76/84/318057684.db2.gz SDBBZQMTQBRGLM-INIZCTEOSA-N 1 3 304.482 2.906 20 0 DFADHO COc1ccc(C[C@H](C)CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000575059148 318060246 /nfs/dbraw/zinc/06/02/46/318060246.db2.gz HWVKVNPNJILHJN-NUEKZKHPSA-N 1 3 306.425 2.554 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(COC3CCOCC3)cc2)C1 ZINC000577527789 318199781 /nfs/dbraw/zinc/19/97/81/318199781.db2.gz BYYJVPKLLIQUKP-ZWKOTPCHSA-N 1 3 318.461 2.742 20 0 DFADHO CC[N@H+](C)Cc1cccc(CNC[C@](C)(O)C(F)(F)F)c1 ZINC000577621927 318205768 /nfs/dbraw/zinc/20/57/68/318205768.db2.gz LPVXKIDKZJLNKV-AWEZNQCLSA-N 1 3 304.356 2.541 20 0 DFADHO CC[N@@H+](C)Cc1cccc(CNC[C@](C)(O)C(F)(F)F)c1 ZINC000577621927 318205770 /nfs/dbraw/zinc/20/57/70/318205770.db2.gz LPVXKIDKZJLNKV-AWEZNQCLSA-N 1 3 304.356 2.541 20 0 DFADHO CC1CC[NH+](CCc2cccc(NC(=O)CNC3CC3)c2)CC1 ZINC000577741014 318214169 /nfs/dbraw/zinc/21/41/69/318214169.db2.gz QUUBNQNVTKFWEK-UHFFFAOYSA-N 1 3 315.461 2.652 20 0 DFADHO C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCCN(C)C2)CCCN1Cc1ccccc1 ZINC000577873240 318223620 /nfs/dbraw/zinc/22/36/20/318223620.db2.gz UTKBFSPLTBOTIJ-HOJAQTOUSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1NCCCC1(C)C)c1cccc(-n2ccnn2)c1 ZINC000578005456 318231435 /nfs/dbraw/zinc/23/14/35/318231435.db2.gz NIFQRQLPUKHKGI-PBHICJAKSA-N 1 3 313.449 2.696 20 0 DFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000578127173 318239728 /nfs/dbraw/zinc/23/97/28/318239728.db2.gz GGKYFOBNEQLAOF-RCCFBDPRSA-N 1 3 320.477 2.506 20 0 DFADHO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCC(CC[NH3+])CC1 ZINC000578329714 318254051 /nfs/dbraw/zinc/25/40/51/318254051.db2.gz LJKIKCJPLHOZKM-CVEARBPZSA-N 1 3 317.477 2.622 20 0 DFADHO CC(C)NC1(CO)CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000578518695 318266451 /nfs/dbraw/zinc/26/64/51/318266451.db2.gz DVHMTCFJOAOBLN-QGZVFWFLSA-N 1 3 316.489 2.616 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618586 318273232 /nfs/dbraw/zinc/27/32/32/318273232.db2.gz HXGUAVGJIYASFX-ZIFCJYIRSA-N 1 3 304.478 2.861 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618586 318273235 /nfs/dbraw/zinc/27/32/35/318273235.db2.gz HXGUAVGJIYASFX-ZIFCJYIRSA-N 1 3 304.478 2.861 20 0 DFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618586 318273238 /nfs/dbraw/zinc/27/32/38/318273238.db2.gz HXGUAVGJIYASFX-ZIFCJYIRSA-N 1 3 304.478 2.861 20 0 DFADHO CCN1CCN(Cc2ccc(N[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000579005299 318301402 /nfs/dbraw/zinc/30/14/02/318301402.db2.gz UNKBAXQVWGTJHG-PKOBYXMFSA-N 1 3 316.493 2.506 20 0 DFADHO Cc1ncncc1[C@H](C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000579025030 318302941 /nfs/dbraw/zinc/30/29/41/318302941.db2.gz WEDWJTFUONNYAP-AWEZNQCLSA-N 1 3 311.433 2.747 20 0 DFADHO C[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)C1CCCCCC1 ZINC000579343154 318323388 /nfs/dbraw/zinc/32/33/88/318323388.db2.gz JEXBKPRUQMTOGY-ZDUSSCGKSA-N 1 3 305.470 2.720 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)C[C@@H]1C ZINC000579577879 318339864 /nfs/dbraw/zinc/33/98/64/318339864.db2.gz PSIWQQZCUDIDHW-LUKYLMHMSA-N 1 3 310.482 2.674 20 0 DFADHO [NH3+]Cc1ccc(CNCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000579712182 318349218 /nfs/dbraw/zinc/34/92/18/318349218.db2.gz ONTBDSNELGPBKE-UHFFFAOYSA-N 1 3 318.804 2.860 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000579733942 318351522 /nfs/dbraw/zinc/35/15/22/318351522.db2.gz PYWFGUXDHBISFV-CABCVRRESA-N 1 3 318.396 2.668 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000579733942 318351525 /nfs/dbraw/zinc/35/15/25/318351525.db2.gz PYWFGUXDHBISFV-CABCVRRESA-N 1 3 318.396 2.668 20 0 DFADHO CC(C)[NH+]1CCC(N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000381001175 323292454 /nfs/dbraw/zinc/29/24/54/323292454.db2.gz OOAOHPGKXJBIKP-ZIAGYGMSSA-N 1 3 313.486 2.751 20 0 DFADHO CC(C)[NH+]1CCC(N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000381001174 323293239 /nfs/dbraw/zinc/29/32/39/323293239.db2.gz OOAOHPGKXJBIKP-UONOGXRCSA-N 1 3 313.486 2.751 20 0 DFADHO CCOC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000381784850 323295630 /nfs/dbraw/zinc/29/56/30/323295630.db2.gz HDJWJYCCVOSJKY-JCHJZTRSSA-N 1 3 302.462 2.912 20 0 DFADHO CCOC[C@H](C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000381784850 323295634 /nfs/dbraw/zinc/29/56/34/323295634.db2.gz HDJWJYCCVOSJKY-JCHJZTRSSA-N 1 3 302.462 2.912 20 0 DFADHO CCOC[C@H](C)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000381784850 323295636 /nfs/dbraw/zinc/29/56/36/323295636.db2.gz HDJWJYCCVOSJKY-JCHJZTRSSA-N 1 3 302.462 2.912 20 0 DFADHO CC(C)[N@H+](C)CCCNCC(C)(C)NC(=O)OC(C)(C)C ZINC000381976142 323296785 /nfs/dbraw/zinc/29/67/85/323296785.db2.gz LUTWRZVLOJCBEP-UHFFFAOYSA-N 1 3 301.475 2.610 20 0 DFADHO CC(C)[N@@H+](C)CCCNCC(C)(C)NC(=O)OC(C)(C)C ZINC000381976142 323296788 /nfs/dbraw/zinc/29/67/88/323296788.db2.gz LUTWRZVLOJCBEP-UHFFFAOYSA-N 1 3 301.475 2.610 20 0 DFADHO CC(C)N(C)CCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000381976142 323296792 /nfs/dbraw/zinc/29/67/92/323296792.db2.gz LUTWRZVLOJCBEP-UHFFFAOYSA-N 1 3 301.475 2.610 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000384490364 323307099 /nfs/dbraw/zinc/30/70/99/323307099.db2.gz SVJHSAIYYWNUNX-YOEHRIQHSA-N 1 3 303.450 2.855 20 0 DFADHO COc1cc(CN2CCC(CC[NH3+])CC2)ccc1OC(F)F ZINC000387025798 323321937 /nfs/dbraw/zinc/32/19/37/323321937.db2.gz DKEVJHJGZFSGKU-UHFFFAOYSA-N 1 3 314.376 2.857 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCN(C(C)C)C1)CC2 ZINC000387574354 323326085 /nfs/dbraw/zinc/32/60/85/323326085.db2.gz OMBWQSTXVNXCNS-CRAIPNDOSA-N 1 3 302.462 2.872 20 0 DFADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000391723563 323346508 /nfs/dbraw/zinc/34/65/08/323346508.db2.gz FBJGETMAVPUDMR-LSDHHAIUSA-N 1 3 319.449 2.603 20 0 DFADHO CC1CCN(CCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000396380803 323353422 /nfs/dbraw/zinc/35/34/22/323353422.db2.gz VODPUCAOKUPJDK-UHFFFAOYSA-N 1 3 322.415 2.934 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCO[C@H](c2cncn2C)C1 ZINC000581245738 323495871 /nfs/dbraw/zinc/49/58/71/323495871.db2.gz UWZLZLHNDNQWDZ-CVYDXHPNSA-N 1 3 320.481 2.541 20 0 DFADHO COc1ccc([C@@H](C)NCCOCC[NH+](C)C)cc1Cl ZINC000581422884 323520754 /nfs/dbraw/zinc/52/07/54/323520754.db2.gz ABPYRSHNRQSSNV-GFCCVEGCSA-N 1 3 300.830 2.577 20 0 DFADHO COC[C@@](C)(O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000582527232 323686791 /nfs/dbraw/zinc/68/67/91/323686791.db2.gz UWTDCGNTIUGUKX-SFHVURJKSA-N 1 3 314.514 2.653 20 0 DFADHO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccnc2cc(F)ccc21 ZINC000302294217 533918517 /nfs/dbraw/zinc/91/85/17/533918517.db2.gz XCGXBBYVUOUBSD-CQSZACIVSA-N 1 3 316.424 2.812 20 0 DFADHO C[C@H](CCO)CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000297461264 533964199 /nfs/dbraw/zinc/96/41/99/533964199.db2.gz XVYDDCRVEWRYIW-HOTGVXAUSA-N 1 3 308.466 2.686 20 0 DFADHO Cc1cc2ccccc2c(NC2CCN(CC[NH+](C)C)CC2)n1 ZINC000302026259 534118434 /nfs/dbraw/zinc/11/84/34/534118434.db2.gz GWQNHJFHWYONHM-UHFFFAOYSA-N 1 3 312.461 2.981 20 0 DFADHO Cc1cc2ccccc2c(NC2CC[NH+](CCN(C)C)CC2)n1 ZINC000302026259 534118440 /nfs/dbraw/zinc/11/84/40/534118440.db2.gz GWQNHJFHWYONHM-UHFFFAOYSA-N 1 3 312.461 2.981 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4OCC[C@@H]43)CC2)ccn1 ZINC000297320353 534468803 /nfs/dbraw/zinc/46/88/03/534468803.db2.gz CFUYKNRXOHUPHW-KZNAEPCWSA-N 1 3 301.434 2.598 20 0 DFADHO CCN(CC)CCC[N@H+](C)C1CCN(Cc2cc(C)no2)CC1 ZINC000365189391 520591564 /nfs/dbraw/zinc/59/15/64/520591564.db2.gz BOORTWPZENBFDD-UHFFFAOYSA-N 1 3 322.497 2.611 20 0 DFADHO CCN(CC)CCC[N@@H+](C)C1CCN(Cc2cc(C)no2)CC1 ZINC000365189391 520591569 /nfs/dbraw/zinc/59/15/69/520591569.db2.gz BOORTWPZENBFDD-UHFFFAOYSA-N 1 3 322.497 2.611 20 0 DFADHO CC[NH+](CC)CCCN(C)C1CCN(Cc2cc(C)no2)CC1 ZINC000365189391 520591575 /nfs/dbraw/zinc/59/15/75/520591575.db2.gz BOORTWPZENBFDD-UHFFFAOYSA-N 1 3 322.497 2.611 20 0 DFADHO CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000366330346 521112236 /nfs/dbraw/zinc/11/22/36/521112236.db2.gz QTKUIVYYRNREFN-CWRNSKLLSA-N 1 3 323.868 2.576 20 0 DFADHO CCOC(CN1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1)OCC ZINC000364915350 521631219 /nfs/dbraw/zinc/63/12/19/521631219.db2.gz OARQTTKSVBAIFU-HNNXBMFYSA-N 1 3 310.482 2.582 20 0 DFADHO CCOC(CN1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1)OCC ZINC000364915350 521631222 /nfs/dbraw/zinc/63/12/22/521631222.db2.gz OARQTTKSVBAIFU-HNNXBMFYSA-N 1 3 310.482 2.582 20 0 DFADHO C[NH+](C)CCSC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000368498643 521806923 /nfs/dbraw/zinc/80/69/23/521806923.db2.gz JLTODXLFQHQWOA-QGZVFWFLSA-N 1 3 308.491 2.572 20 0 DFADHO C[NH+]1CCC(N2CC[C@H](NCc3sccc3Cl)C2)CC1 ZINC000365939544 523771719 /nfs/dbraw/zinc/77/17/19/523771719.db2.gz ARSABQVJTWTRBH-LBPRGKRZSA-N 1 3 313.898 2.660 20 0 DFADHO CN1CCN(CC2(C)CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000363804826 523895617 /nfs/dbraw/zinc/89/56/17/523895617.db2.gz WKJRKBNNYNGULH-UHFFFAOYSA-N 1 3 307.526 2.916 20 0 DFADHO C[C@@H](CCc1cccc(F)c1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128384797 524527607 /nfs/dbraw/zinc/52/76/07/524527607.db2.gz SDXIKPYCYBQEQW-KRWDZBQOSA-N 1 3 321.484 2.764 20 0 DFADHO C[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(=O)[nH]n1 ZINC000365118669 525397425 /nfs/dbraw/zinc/39/74/25/525397425.db2.gz WGKNGEHBTFOTBS-QQFBHYJXSA-N 1 3 318.465 2.876 20 0 DFADHO C[C@H](C(=O)N1CCC([NH2+]C2CCCC2)CC1)N1CCCCCC1 ZINC000365647885 525956928 /nfs/dbraw/zinc/95/69/28/525956928.db2.gz RJAFERLRNKISPZ-MRXNPFEDSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@H](c1cnccn1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364176015 526163697 /nfs/dbraw/zinc/16/36/97/526163697.db2.gz ZBJUNTFCRMPTRS-OAHLLOKOSA-N 1 3 311.433 2.781 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)cc1 ZINC000295002586 528143839 /nfs/dbraw/zinc/14/38/39/528143839.db2.gz IGXFZPBSJCTRTE-KURKYZTESA-N 1 3 317.477 2.560 20 0 DFADHO CCOC(=O)c1cc(C[NH2+]C2CCN(C3CCC3)CC2)[nH]c1C ZINC000296586341 528167991 /nfs/dbraw/zinc/16/79/91/528167991.db2.gz XGFWVAWITDDNCI-UHFFFAOYSA-N 1 3 319.449 2.606 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000292549664 528497364 /nfs/dbraw/zinc/49/73/64/528497364.db2.gz SLJVVCJXCFHJAM-NVXWUHKLSA-N 1 3 317.477 2.750 20 0 DFADHO CCN(CC)C(=[NH2+])NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000361802120 535391775 /nfs/dbraw/zinc/39/17/75/535391775.db2.gz AAKYJVHAXGIXGV-KRWDZBQOSA-N 1 3 302.466 2.765 20 0 DFADHO CC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1CCOC1 ZINC000357850364 535803277 /nfs/dbraw/zinc/80/32/77/535803277.db2.gz LMZZHPBVCZOQFP-SJLPKXTDSA-N 1 3 303.450 2.703 20 0 DFADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000262177844 535848036 /nfs/dbraw/zinc/84/80/36/535848036.db2.gz RLTALRHSJVRQFD-NWANDNLSSA-N 1 3 311.495 2.621 20 0 DFADHO CCc1cccc(F)c1CNCCCC[N@@H+]1CCC[C@@H]1CO ZINC000354351104 535889983 /nfs/dbraw/zinc/88/99/83/535889983.db2.gz JOYLWKFMZIYTEJ-MRXNPFEDSA-N 1 3 308.441 2.715 20 0 DFADHO CCc1cccc(F)c1CNCCCC[N@H+]1CCC[C@@H]1CO ZINC000354351104 535889986 /nfs/dbraw/zinc/88/99/86/535889986.db2.gz JOYLWKFMZIYTEJ-MRXNPFEDSA-N 1 3 308.441 2.715 20 0 DFADHO CN1CCC2(CCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)CC1 ZINC000355047109 536349102 /nfs/dbraw/zinc/34/91/02/536349102.db2.gz XJDXKTYAGDFKIK-UHFFFAOYSA-N 1 3 316.474 2.994 20 0 DFADHO CN1CCC2(CCC[N@H+]2Cc2cc(-n3ccnc3)cs2)CC1 ZINC000355047109 536349105 /nfs/dbraw/zinc/34/91/05/536349105.db2.gz XJDXKTYAGDFKIK-UHFFFAOYSA-N 1 3 316.474 2.994 20 0 DFADHO C[NH2+]CCc1ccccc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000261854566 536447038 /nfs/dbraw/zinc/44/70/38/536447038.db2.gz JTZOFAOOXZWKHZ-UHFFFAOYSA-N 1 3 311.429 2.762 20 0 DFADHO CN(CC(C)(C)C[N@H+](C)Cc1ccccc1)CC1(O)CCC1 ZINC000355363168 536480578 /nfs/dbraw/zinc/48/05/78/536480578.db2.gz KAECKRNMGVFFPJ-UHFFFAOYSA-N 1 3 304.478 2.991 20 0 DFADHO CN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC1(O)CCC1 ZINC000355363168 536480580 /nfs/dbraw/zinc/48/05/80/536480580.db2.gz KAECKRNMGVFFPJ-UHFFFAOYSA-N 1 3 304.478 2.991 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C2CC2)cc1 ZINC000682231541 545821060 /nfs/dbraw/zinc/82/10/60/545821060.db2.gz OXGWHXSJQLVFND-UHFFFAOYSA-N 1 3 318.465 2.521 20 0 DFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)C1CCC(F)(F)CC1 ZINC000682732796 545907355 /nfs/dbraw/zinc/90/73/55/545907355.db2.gz QIZJXGUZKWFIDS-HNNXBMFYSA-N 1 3 317.468 2.818 20 0 DFADHO CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCOC1 ZINC000685438619 546349202 /nfs/dbraw/zinc/34/92/02/546349202.db2.gz JXPRWUJVYOTMHS-SFHVURJKSA-N 1 3 318.461 2.772 20 0 DFADHO CCOC1CC([N@H+](C)Cc2ccc(OCCN(C)C)cc2)C1 ZINC000685472395 546357934 /nfs/dbraw/zinc/35/79/34/546357934.db2.gz ZONNKXCLHPPXSE-UHFFFAOYSA-N 1 3 306.450 2.626 20 0 DFADHO CCOC1CC([N@@H+](C)Cc2ccc(OCCN(C)C)cc2)C1 ZINC000685472395 546357937 /nfs/dbraw/zinc/35/79/37/546357937.db2.gz ZONNKXCLHPPXSE-UHFFFAOYSA-N 1 3 306.450 2.626 20 0 DFADHO OC1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000305861046 231076748 /nfs/dbraw/zinc/07/67/48/231076748.db2.gz LUHLBRUZSLPQSK-RDLPGAODSA-N 1 3 314.473 2.790 20 0 DFADHO COc1cc2nccc(N3CCC([NH+](C)C)CC3)c2cc1OC ZINC000413084818 295675014 /nfs/dbraw/zinc/67/50/14/295675014.db2.gz APDVBUVRCGPRIG-UHFFFAOYSA-N 1 3 315.417 2.782 20 0 DFADHO Cc1cc(C)n(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)n1 ZINC000318487785 231170274 /nfs/dbraw/zinc/17/02/74/231170274.db2.gz ROCAYGCNXKYRRW-RCCFBDPRSA-N 1 3 304.482 2.790 20 0 DFADHO Cc1ccc(OCCCN2CCC(OCCC[NH3+])CC2)cc1C ZINC000321515077 231203637 /nfs/dbraw/zinc/20/36/37/231203637.db2.gz KPSJATNJTBBFTP-UHFFFAOYSA-N 1 3 320.477 2.902 20 0 DFADHO COc1ccc(Br)c(CNCCCC[NH+](C)C)c1 ZINC000087788073 185231650 /nfs/dbraw/zinc/23/16/50/185231650.db2.gz DWWKYCYKFZJBSQ-UHFFFAOYSA-N 1 3 315.255 2.889 20 0 DFADHO CCc1cc(N2CCN(CCO)C(C)(C)C2)c2ccccc2[nH+]1 ZINC000302500955 529535168 /nfs/dbraw/zinc/53/51/68/529535168.db2.gz CSIRHCVYBUDBSO-UHFFFAOYSA-N 1 3 313.445 2.690 20 0 DFADHO Cc1cc(C)c(C[NH2+]CCCN2CCCN(C)CC2)c(C)c1 ZINC000237110446 398368041 /nfs/dbraw/zinc/36/80/41/398368041.db2.gz LWCQRHLWTYIBGY-UHFFFAOYSA-N 1 3 303.494 2.729 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CCCC1 ZINC000090038625 185279166 /nfs/dbraw/zinc/27/91/66/185279166.db2.gz PGUNONDVUGARDX-OAHLLOKOSA-N 1 3 317.477 2.646 20 0 DFADHO C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccncc1 ZINC000090523899 185300283 /nfs/dbraw/zinc/30/02/83/185300283.db2.gz BCQMAWOLGGFCJC-JLSDUUJJSA-N 1 3 303.450 2.500 20 0 DFADHO CCN(CC)[C@@H](CNC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000459387983 299093440 /nfs/dbraw/zinc/09/34/40/299093440.db2.gz KKNGPSACSWVUIG-KRWDZBQOSA-N 1 3 305.466 2.879 20 0 DFADHO CCN(CC)[C@@H](C[NH2+]C1CCN(C2CC2)CC1)c1ccco1 ZINC000459387983 299093442 /nfs/dbraw/zinc/09/34/42/299093442.db2.gz KKNGPSACSWVUIG-KRWDZBQOSA-N 1 3 305.466 2.879 20 0 DFADHO COC(=O)CCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821378 185343771 /nfs/dbraw/zinc/34/37/71/185343771.db2.gz VQPLHTDZCUFMOV-UHFFFAOYSA-N 1 3 319.449 2.573 20 0 DFADHO COC(=O)CCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821378 185343772 /nfs/dbraw/zinc/34/37/72/185343772.db2.gz VQPLHTDZCUFMOV-UHFFFAOYSA-N 1 3 319.449 2.573 20 0 DFADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000066994663 398412366 /nfs/dbraw/zinc/41/23/66/398412366.db2.gz LKKNLMNZBGTIPA-UHFFFAOYSA-N 1 3 317.477 2.790 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)[C@@H]1SC ZINC000459427344 299103506 /nfs/dbraw/zinc/10/35/06/299103506.db2.gz NCJRTEJTLVRNEQ-JONQDZQNSA-N 1 3 300.512 2.605 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)[C@@H]1SC ZINC000459427344 299103511 /nfs/dbraw/zinc/10/35/11/299103511.db2.gz NCJRTEJTLVRNEQ-JONQDZQNSA-N 1 3 300.512 2.605 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)[C@@H]1SC ZINC000459427344 299103515 /nfs/dbraw/zinc/10/35/15/299103515.db2.gz NCJRTEJTLVRNEQ-JONQDZQNSA-N 1 3 300.512 2.605 20 0 DFADHO CCOC(=O)c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000592433628 398425741 /nfs/dbraw/zinc/42/57/41/398425741.db2.gz MOCJTZCNCLQNFW-LSDHHAIUSA-N 1 3 320.433 2.668 20 0 DFADHO C[N@H+](CCCNC(=O)[C@H]1NCCCC1(C)C)C1CCCCC1 ZINC000319624545 529891227 /nfs/dbraw/zinc/89/12/27/529891227.db2.gz FSJAHEOPKTZIJL-MRXNPFEDSA-N 1 3 309.498 2.535 20 0 DFADHO C[N@@H+](CCCNC(=O)[C@H]1NCCCC1(C)C)C1CCCCC1 ZINC000319624545 529891228 /nfs/dbraw/zinc/89/12/28/529891228.db2.gz FSJAHEOPKTZIJL-MRXNPFEDSA-N 1 3 309.498 2.535 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccsc1 ZINC000262263070 398430778 /nfs/dbraw/zinc/43/07/78/398430778.db2.gz GWALBDDQXDMJMC-VNQPRFMTSA-N 1 3 323.506 2.765 20 0 DFADHO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000459464201 299112959 /nfs/dbraw/zinc/11/29/59/299112959.db2.gz IGMPRVZZLMGWCM-IYBDPMFKSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000459466172 299113466 /nfs/dbraw/zinc/11/34/66/299113466.db2.gz OSCLWSOCZSIQLX-HZPDHXFCSA-N 1 3 305.510 2.856 20 0 DFADHO CCO[C@@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)[C@H]1SC ZINC000459516749 299123645 /nfs/dbraw/zinc/12/36/45/299123645.db2.gz IIJJEMIQGCONSU-RBSFLKMASA-N 1 3 300.512 2.607 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)CN2CCCC2)[C@H]1SC ZINC000459516749 299123647 /nfs/dbraw/zinc/12/36/47/299123647.db2.gz IIJJEMIQGCONSU-RBSFLKMASA-N 1 3 300.512 2.607 20 0 DFADHO COc1ccc(OC)c(CCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090888326 398495817 /nfs/dbraw/zinc/49/58/17/398495817.db2.gz LJNCNAURCIFYFW-DLBZAZTESA-N 1 3 318.461 2.853 20 0 DFADHO COc1ccc(OC)c(CCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090888326 398495821 /nfs/dbraw/zinc/49/58/21/398495821.db2.gz LJNCNAURCIFYFW-DLBZAZTESA-N 1 3 318.461 2.853 20 0 DFADHO OCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000279612119 215004837 /nfs/dbraw/zinc/00/48/37/215004837.db2.gz QZGQBOJMUJVGIK-GBESFXJTSA-N 1 3 302.462 2.649 20 0 DFADHO C[C@H]1C[C@@H](NCCN2CC=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000279649234 215031767 /nfs/dbraw/zinc/03/17/67/215031767.db2.gz DXPQZCKXAMGOOE-ICSRJNTNSA-N 1 3 313.489 2.891 20 0 DFADHO C[C@H]1C[C@@H](NCCN2CC=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000279649234 215031771 /nfs/dbraw/zinc/03/17/71/215031771.db2.gz DXPQZCKXAMGOOE-ICSRJNTNSA-N 1 3 313.489 2.891 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](c2cccnc2)C(C)C)CC1 ZINC000091285199 398524928 /nfs/dbraw/zinc/52/49/28/398524928.db2.gz AGHGGFDXQRVXNR-LJQANCHMSA-N 1 3 318.509 2.786 20 0 DFADHO CC(C)[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccnc1 ZINC000091343599 398526736 /nfs/dbraw/zinc/52/67/36/398526736.db2.gz VSSMFIZORVMKQX-VQIMIIECSA-N 1 3 317.477 2.869 20 0 DFADHO CC(C)=CCC[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414206319 295777861 /nfs/dbraw/zinc/77/78/61/295777861.db2.gz YFKTWPVUBDMOIU-GOSISDBHSA-N 1 3 323.525 2.508 20 0 DFADHO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1Cl ZINC000597051659 398556739 /nfs/dbraw/zinc/55/67/39/398556739.db2.gz WJGSRTFMNSAIDR-ZDUSSCGKSA-N 1 3 322.836 2.701 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1ccc(OCCN(C)C)cc1 ZINC000414342555 295790009 /nfs/dbraw/zinc/79/00/09/295790009.db2.gz PZLHYAKWEQOLIJ-BQFCYCMXSA-N 1 3 320.477 2.829 20 0 DFADHO CCN1CCC(NC(=O)C[N@H+](CC2CC2)C2CCCCC2)CC1 ZINC000069608137 398577484 /nfs/dbraw/zinc/57/74/84/398577484.db2.gz HDIWRVGWWTUWSF-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO CCN1CCC(NC(=O)C[N@@H+](CC2CC2)C2CCCCC2)CC1 ZINC000069608137 398577487 /nfs/dbraw/zinc/57/74/87/398577487.db2.gz HDIWRVGWWTUWSF-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO CS[C@@H]1CC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000597193101 398586792 /nfs/dbraw/zinc/58/67/92/398586792.db2.gz VDHMPIMYUOSHSA-DLBZAZTESA-N 1 3 305.491 2.777 20 0 DFADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(CCNC(C)=O)cc2)CC1 ZINC000092720540 398597514 /nfs/dbraw/zinc/59/75/14/398597514.db2.gz DFURFRPWXFPZLR-HNNXBMFYSA-N 1 3 317.477 2.500 20 0 DFADHO COCCOc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152407901 186069097 /nfs/dbraw/zinc/06/90/97/186069097.db2.gz DSQWRCJCJANGPJ-HOTGVXAUSA-N 1 3 318.461 2.847 20 0 DFADHO COCCOc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152407901 186069098 /nfs/dbraw/zinc/06/90/98/186069098.db2.gz DSQWRCJCJANGPJ-HOTGVXAUSA-N 1 3 318.461 2.847 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155700715 186104469 /nfs/dbraw/zinc/10/44/69/186104469.db2.gz WIUQGLOXSRNGRW-IDCNUPLLSA-N 1 3 317.477 2.529 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155700715 186104470 /nfs/dbraw/zinc/10/44/70/186104470.db2.gz WIUQGLOXSRNGRW-IDCNUPLLSA-N 1 3 317.477 2.529 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155700830 186104626 /nfs/dbraw/zinc/10/46/26/186104626.db2.gz WIUQGLOXSRNGRW-LMSBXDPUSA-N 1 3 317.477 2.529 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155700830 186104628 /nfs/dbraw/zinc/10/46/28/186104628.db2.gz WIUQGLOXSRNGRW-LMSBXDPUSA-N 1 3 317.477 2.529 20 0 DFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](N)C(C)(C)C ZINC000164145927 186150639 /nfs/dbraw/zinc/15/06/39/186150639.db2.gz JELDEUMTGNDPDU-MRXNPFEDSA-N 1 3 305.466 2.516 20 0 DFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](N)C(C)(C)C ZINC000164145927 186150641 /nfs/dbraw/zinc/15/06/41/186150641.db2.gz JELDEUMTGNDPDU-MRXNPFEDSA-N 1 3 305.466 2.516 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](Cc2cccc(-c3cnn(C)c3)c2)C1 ZINC000093770556 398644511 /nfs/dbraw/zinc/64/45/11/398644511.db2.gz ZZQRHOAZZLLDSY-QGZVFWFLSA-N 1 3 312.461 2.861 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](Cc2cccc(-c3cnn(C)c3)c2)C1 ZINC000093770556 398644513 /nfs/dbraw/zinc/64/45/13/398644513.db2.gz ZZQRHOAZZLLDSY-QGZVFWFLSA-N 1 3 312.461 2.861 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(CN(C)C)c1)C1CC[NH2+]CC1 ZINC000237480146 186295546 /nfs/dbraw/zinc/29/55/46/186295546.db2.gz RRWOGHXQHIDUCU-CQSZACIVSA-N 1 3 303.450 2.713 20 0 DFADHO COc1ccc(CNCC[C@H]2CCC[N@H+](C)C2)c(OC)c1OC ZINC000459724443 299173395 /nfs/dbraw/zinc/17/33/95/299173395.db2.gz DQXUEWMVTUDZSA-CQSZACIVSA-N 1 3 322.449 2.534 20 0 DFADHO COc1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)c(OC)c1OC ZINC000459724443 299173397 /nfs/dbraw/zinc/17/33/97/299173397.db2.gz DQXUEWMVTUDZSA-CQSZACIVSA-N 1 3 322.449 2.534 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414830114 295823396 /nfs/dbraw/zinc/82/33/96/295823396.db2.gz BUWILYFCCYKXQM-LSDHHAIUSA-N 1 3 305.466 2.972 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+]CC2=CCN(C)CC2)cc1O ZINC000277221175 213375926 /nfs/dbraw/zinc/37/59/26/213375926.db2.gz MBEWEDKSGBLIFV-AWEZNQCLSA-N 1 3 304.434 2.573 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)c1C ZINC000414860079 295827292 /nfs/dbraw/zinc/82/72/92/295827292.db2.gz VEVWXGSTLLSXJR-UAGQMJEPSA-N 1 3 317.477 2.998 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN(C)CC(C)C)C[C@@H]1C ZINC000593647343 398664667 /nfs/dbraw/zinc/66/46/67/398664667.db2.gz XPECNBJOPFZKAI-GVDBMIGSSA-N 1 3 312.498 2.922 20 0 DFADHO COc1ccc(C[C@@H](C)C[NH2+]C[C@]2(C)CCCNC2)cc1F ZINC000414899627 295832313 /nfs/dbraw/zinc/83/23/13/295832313.db2.gz CPRIFKMMYVGLJQ-RDTXWAMCSA-N 1 3 308.441 2.992 20 0 DFADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CC[NH2+]C1 ZINC000414916231 295834569 /nfs/dbraw/zinc/83/45/69/295834569.db2.gz PEAVQLMDOVGRJZ-LSDHHAIUSA-N 1 3 303.450 2.726 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1NCCc2ccccc21 ZINC000414955485 295840367 /nfs/dbraw/zinc/84/03/67/295840367.db2.gz NDYYNXOJZGHSHH-AYBZRNKSSA-N 1 3 301.478 2.774 20 0 DFADHO COc1ccc2nc(CNC[C@H]3CCC[C@H]([NH3+])C3)sc2c1 ZINC000414996805 295845273 /nfs/dbraw/zinc/84/52/73/295845273.db2.gz GRNINDFXAHATAW-RYUDHWBXSA-N 1 3 305.447 2.912 20 0 DFADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000414996581 295845331 /nfs/dbraw/zinc/84/53/31/295845331.db2.gz GNCBIERAGSXTCY-KYJSFNMBSA-N 1 3 306.425 2.535 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000590818852 398681022 /nfs/dbraw/zinc/68/10/22/398681022.db2.gz AHUCECXUTBVLCO-KRWDZBQOSA-N 1 3 318.461 2.879 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000590818852 398681023 /nfs/dbraw/zinc/68/10/23/398681023.db2.gz AHUCECXUTBVLCO-KRWDZBQOSA-N 1 3 318.461 2.879 20 0 DFADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415037265 295849811 /nfs/dbraw/zinc/84/98/11/295849811.db2.gz MTBSLVKDJUAJEH-QXCZDIPSSA-N 1 3 300.446 2.917 20 0 DFADHO Cc1nn(C)c2ncc(CN[C@@H](CCC[NH3+])c3ccccc3)cc12 ZINC000415046488 295850888 /nfs/dbraw/zinc/85/08/88/295850888.db2.gz CNULHXPNLSFJDV-SFHVURJKSA-N 1 3 323.444 2.847 20 0 DFADHO Cc1nn(C)c2ncc(CN[C@H](CCC[NH3+])c3ccccc3)cc12 ZINC000415046483 295850678 /nfs/dbraw/zinc/85/06/78/295850678.db2.gz CNULHXPNLSFJDV-GOSISDBHSA-N 1 3 323.444 2.847 20 0 DFADHO CCOc1cc(C[NH2+][C@H]2CCN(CC)C[C@H]2C)ccc1OC ZINC000173362222 198206842 /nfs/dbraw/zinc/20/68/42/198206842.db2.gz BLJJSPORPVFCQY-ZBFHGGJFSA-N 1 3 306.450 2.914 20 0 DFADHO CCCCC1CCC([NH2+]C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000415088234 295856479 /nfs/dbraw/zinc/85/64/79/295856479.db2.gz VVQHCNXMAFPSDW-AQFXKWCLSA-N 1 3 309.498 2.522 20 0 DFADHO CCN1CCN(c2ccc(NC[C@@H]([NH3+])CC(C)C)c(C)c2)CC1 ZINC000415122989 295861064 /nfs/dbraw/zinc/86/10/64/295861064.db2.gz OWQYZIJSNFNTEQ-KRWDZBQOSA-N 1 3 318.509 2.922 20 0 DFADHO CCN1CCN(c2ccc(N[C@H]3CCC[NH2+]CC3)c(C)c2)CC1 ZINC000415127147 295861806 /nfs/dbraw/zinc/86/18/06/295861806.db2.gz VHNSYRDPSVGDRZ-KRWDZBQOSA-N 1 3 316.493 2.691 20 0 DFADHO Cc1ccc(-c2cccc(CN3CCC(O)(C[NH3+])CC3)c2)cc1 ZINC000415147327 295864898 /nfs/dbraw/zinc/86/48/98/295864898.db2.gz ZUNBZTCURAMNKL-UHFFFAOYSA-N 1 3 310.441 2.948 20 0 DFADHO CN1CCN(CC2CC[NH+]([C@@H]3CCc4ccccc43)CC2)CC1 ZINC000368052439 282945900 /nfs/dbraw/zinc/94/59/00/282945900.db2.gz VZNRMDQSWXCVHJ-HXUWFJFHSA-N 1 3 313.489 2.633 20 0 DFADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000236771480 202001648 /nfs/dbraw/zinc/00/16/48/202001648.db2.gz OJQYBYDLEFJGJC-MAUKXSAKSA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236795769 202014013 /nfs/dbraw/zinc/01/40/13/202014013.db2.gz IDFVLCRHLZIRFE-PBHICJAKSA-N 1 3 303.450 2.840 20 0 DFADHO CC(C)[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236795769 202014018 /nfs/dbraw/zinc/01/40/18/202014018.db2.gz IDFVLCRHLZIRFE-PBHICJAKSA-N 1 3 303.450 2.840 20 0 DFADHO O=C(C[C@H]1CC[NH2+]C1)Nc1cccc(CN2CCCCC2)c1 ZINC000130451187 283049667 /nfs/dbraw/zinc/04/96/67/283049667.db2.gz BIVKYLLZRBNLEU-OAHLLOKOSA-N 1 3 301.434 2.611 20 0 DFADHO CCC[C@H](CCc1ccccc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000462121412 299222411 /nfs/dbraw/zinc/22/24/11/299222411.db2.gz ONDLNZUFTQKUQZ-GOSISDBHSA-N 1 3 304.478 2.834 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@]2(C)OCCc3sccc32)[C@@H]2CCC[C@@H]21 ZINC000353630056 283138822 /nfs/dbraw/zinc/13/88/22/283138822.db2.gz LTXXMOADTCSZPD-MBGYTDRXSA-N 1 3 320.502 2.998 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@]2(C)OCCc3sccc32)[C@@H]2CCC[C@@H]21 ZINC000353630056 283138824 /nfs/dbraw/zinc/13/88/24/283138824.db2.gz LTXXMOADTCSZPD-MBGYTDRXSA-N 1 3 320.502 2.998 20 0 DFADHO C[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)N1CCC(C)CC1 ZINC000184229276 199690601 /nfs/dbraw/zinc/69/06/01/199690601.db2.gz LOFPACVNIKHSOQ-MRXNPFEDSA-N 1 3 309.498 2.522 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000236832057 202029836 /nfs/dbraw/zinc/02/98/36/202029836.db2.gz LFGSEQVVCJIWGC-PKOBYXMFSA-N 1 3 317.477 2.718 20 0 DFADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000236935990 202079965 /nfs/dbraw/zinc/07/99/65/202079965.db2.gz SKDHOPPFXJTJKW-NXHRZFHOSA-N 1 3 317.477 2.622 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000236947948 202087800 /nfs/dbraw/zinc/08/78/00/202087800.db2.gz KKKDJEPTALZLPI-PBHICJAKSA-N 1 3 305.466 2.516 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236947948 202087803 /nfs/dbraw/zinc/08/78/03/202087803.db2.gz KKKDJEPTALZLPI-PBHICJAKSA-N 1 3 305.466 2.516 20 0 DFADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000236941421 202083234 /nfs/dbraw/zinc/08/32/34/202083234.db2.gz RLTALRHSJVRQFD-SNPRPXQTSA-N 1 3 311.495 2.621 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000237018472 202124308 /nfs/dbraw/zinc/12/43/08/202124308.db2.gz XURGSELJDOVYJV-RHSMWYFYSA-N 1 3 303.450 2.984 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000237080029 202145728 /nfs/dbraw/zinc/14/57/28/202145728.db2.gz KEYMMAIHCBAGNO-WMLDXEAASA-N 1 3 305.466 2.518 20 0 DFADHO CCN1CCC(NC(=O)C[N@H+](C(C)C)C2CCCCC2)CC1 ZINC000150946885 283271896 /nfs/dbraw/zinc/27/18/96/283271896.db2.gz CBARNXZSHLNGCO-UHFFFAOYSA-N 1 3 309.498 2.630 20 0 DFADHO CCN1CCC(NC(=O)C[N@@H+](C(C)C)C2CCCCC2)CC1 ZINC000150946885 283271902 /nfs/dbraw/zinc/27/19/02/283271902.db2.gz CBARNXZSHLNGCO-UHFFFAOYSA-N 1 3 309.498 2.630 20 0 DFADHO CC[NH+](CC)CCCNC(=O)C1CCN(CC=C(C)C)CC1 ZINC000151002179 283273612 /nfs/dbraw/zinc/27/36/12/283273612.db2.gz BJBZPTKERGEPHW-UHFFFAOYSA-N 1 3 309.498 2.513 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000151330036 283281397 /nfs/dbraw/zinc/28/13/97/283281397.db2.gz WFKFVUFHWANSGD-MDZRGWNJSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1cccc(Cn2ccnc2)c1 ZINC000151330036 283281400 /nfs/dbraw/zinc/28/14/00/283281400.db2.gz WFKFVUFHWANSGD-MDZRGWNJSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cccc(Cn2ccnc2)c1 ZINC000151330036 283281403 /nfs/dbraw/zinc/28/14/03/283281403.db2.gz WFKFVUFHWANSGD-MDZRGWNJSA-N 1 3 312.461 2.750 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccccc1F ZINC000180109199 199118880 /nfs/dbraw/zinc/11/88/80/199118880.db2.gz MOKSUSMSOYBLTK-SFHVURJKSA-N 1 3 307.457 2.894 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000152892173 283343584 /nfs/dbraw/zinc/34/35/84/283343584.db2.gz MXEHXWGFFGLVAO-HNNXBMFYSA-N 1 3 323.456 2.513 20 0 DFADHO C[C@H](CSCCF)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000595019667 398893305 /nfs/dbraw/zinc/89/33/05/398893305.db2.gz PBOCNVQTFDSPBK-ILXRZTDVSA-N 1 3 306.491 2.557 20 0 DFADHO C[C@H](CSCCF)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000595019668 398893353 /nfs/dbraw/zinc/89/33/53/398893353.db2.gz PBOCNVQTFDSPBK-KFWWJZLASA-N 1 3 306.491 2.557 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)[C@@H](C)c1ccccc1 ZINC000128277625 299292964 /nfs/dbraw/zinc/29/29/64/299292964.db2.gz LDOWLQIASHMEMA-MSOLQXFVSA-N 1 3 303.494 2.796 20 0 DFADHO CN1c2ccc(C[NH2+]CCCN3CCCCC3)cc2CCC1=O ZINC000187102908 200061947 /nfs/dbraw/zinc/06/19/47/200061947.db2.gz YPEQQRFUBPTUJK-UHFFFAOYSA-N 1 3 315.461 2.561 20 0 DFADHO CN(C)[C@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000281019010 216025436 /nfs/dbraw/zinc/02/54/36/216025436.db2.gz ZDZAGPZHVDXTEA-SFHVURJKSA-N 1 3 302.462 2.970 20 0 DFADHO CN(C)[C@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000281019010 216025439 /nfs/dbraw/zinc/02/54/39/216025439.db2.gz ZDZAGPZHVDXTEA-SFHVURJKSA-N 1 3 302.462 2.970 20 0 DFADHO C[NH+](C)[C@H]1CCCN(CCCc2ccc3c(c2)CCO3)CC1 ZINC000281019010 216025442 /nfs/dbraw/zinc/02/54/42/216025442.db2.gz ZDZAGPZHVDXTEA-SFHVURJKSA-N 1 3 302.462 2.970 20 0 DFADHO COC(=O)CC1CCC([NH2+]C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC000599025548 398909763 /nfs/dbraw/zinc/90/97/63/398909763.db2.gz BWHUYPWUIBBZTQ-CGZBRXJRSA-N 1 3 310.482 2.818 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(F)c1 ZINC000187968049 200184927 /nfs/dbraw/zinc/18/49/27/200184927.db2.gz DCGSJPIRVQFZTO-GOSISDBHSA-N 1 3 307.457 2.894 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)C[C@@H]1C ZINC000599071634 398917316 /nfs/dbraw/zinc/91/73/16/398917316.db2.gz RQJDPVFZPKGJFM-LUKYLMHMSA-N 1 3 310.482 2.676 20 0 DFADHO C[C@H](C(=O)NCC[NH2+]C1CCCCCC1)[C@H](N)c1ccccc1 ZINC000237570424 202288331 /nfs/dbraw/zinc/28/83/31/202288331.db2.gz YWOSDECRYGDDSU-YJBOKZPZSA-N 1 3 317.477 2.751 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C2(N)CCCCC2)C1 ZINC000237713891 202334939 /nfs/dbraw/zinc/33/49/39/202334939.db2.gz RTUXHWGLVIKGPO-GASCZTMLSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C2(N)CCCCC2)C1 ZINC000237713891 202334943 /nfs/dbraw/zinc/33/49/43/202334943.db2.gz RTUXHWGLVIKGPO-GASCZTMLSA-N 1 3 309.498 2.521 20 0 DFADHO N[C@@H](CC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000237883781 202379785 /nfs/dbraw/zinc/37/97/85/202379785.db2.gz KDXXEIFLSNDNMV-SFHVURJKSA-N 1 3 317.477 2.849 20 0 DFADHO NC1(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCCC1 ZINC000237930355 202395607 /nfs/dbraw/zinc/39/56/07/202395607.db2.gz YFDCOVQAWGARIP-UHFFFAOYSA-N 1 3 315.461 2.560 20 0 DFADHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000158658202 398959327 /nfs/dbraw/zinc/95/93/27/398959327.db2.gz OVBRHDCNFYAUKM-GJZGRUSLSA-N 1 3 317.468 2.674 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC2CCN(CC(F)F)CC2)C1 ZINC000158658202 398959329 /nfs/dbraw/zinc/95/93/29/398959329.db2.gz OVBRHDCNFYAUKM-GJZGRUSLSA-N 1 3 317.468 2.674 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000161648574 398977964 /nfs/dbraw/zinc/97/79/64/398977964.db2.gz AWDHJYDFLCZHAX-GOSISDBHSA-N 1 3 320.525 2.650 20 0 DFADHO CCOC(=O)CC[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000162019343 398979910 /nfs/dbraw/zinc/97/99/10/398979910.db2.gz CFMYSNUCKJUODG-QGZVFWFLSA-N 1 3 310.482 2.918 20 0 DFADHO C[C@@H](CN1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000604885260 398980185 /nfs/dbraw/zinc/98/01/85/398980185.db2.gz UPGNNULJAPXHAW-HKUYNNGSSA-N 1 3 301.478 2.502 20 0 DFADHO C[C@@H](CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000604885260 398980189 /nfs/dbraw/zinc/98/01/89/398980189.db2.gz UPGNNULJAPXHAW-HKUYNNGSSA-N 1 3 301.478 2.502 20 0 DFADHO CN(C)Cc1cccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000193957751 201153249 /nfs/dbraw/zinc/15/32/49/201153249.db2.gz IYVJSGQETONJHL-FGTMMUONSA-N 1 3 300.446 2.795 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000417783758 296050523 /nfs/dbraw/zinc/05/05/23/296050523.db2.gz ACBCRQLGFXQQHR-SJORKVTESA-N 1 3 317.477 2.704 20 0 DFADHO CC(C)(C(=O)N[C@H](C[NH3+])C1CCCCC1)[C@@H](N)c1ccccc1 ZINC000417800401 296052180 /nfs/dbraw/zinc/05/21/80/296052180.db2.gz SOGCASGBLSWAMM-SJORKVTESA-N 1 3 317.477 2.736 20 0 DFADHO CCc1cccc(F)c1C[NH2+]C[C@@H](C)CN1CCN(CC)CC1 ZINC000474734783 299338933 /nfs/dbraw/zinc/33/89/33/299338933.db2.gz JHOFNVVKEQQFFJ-MRXNPFEDSA-N 1 3 321.484 2.751 20 0 DFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(CO)c1 ZINC000271838403 209258088 /nfs/dbraw/zinc/25/80/88/209258088.db2.gz BFUAEZSEBBSPTK-IXDOHACOSA-N 1 3 320.477 2.719 20 0 DFADHO CC[C@@H](C)C[N@H+](CC)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475034593 299341408 /nfs/dbraw/zinc/34/14/08/299341408.db2.gz ODXSEUODIXIIJR-SJLPKXTDSA-N 1 3 319.493 2.774 20 0 DFADHO CC[C@@H](C)C[N@@H+](CC)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475034593 299341411 /nfs/dbraw/zinc/34/14/11/299341411.db2.gz ODXSEUODIXIIJR-SJLPKXTDSA-N 1 3 319.493 2.774 20 0 DFADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000271811115 209235728 /nfs/dbraw/zinc/23/57/28/209235728.db2.gz AURPKFKTPVHZAA-INIZCTEOSA-N 1 3 310.445 2.844 20 0 DFADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000271811115 209235729 /nfs/dbraw/zinc/23/57/29/209235729.db2.gz AURPKFKTPVHZAA-INIZCTEOSA-N 1 3 310.445 2.844 20 0 DFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000605397966 399016927 /nfs/dbraw/zinc/01/69/27/399016927.db2.gz GOIZFKQYKQKOAU-INIZCTEOSA-N 1 3 318.465 2.744 20 0 DFADHO COc1ccc(OC(F)F)c(CNCC2=CC[N@H+](C)CC2)c1 ZINC000271775194 209204502 /nfs/dbraw/zinc/20/45/02/209204502.db2.gz CJWPWPHQGNAGPD-UHFFFAOYSA-N 1 3 312.360 2.648 20 0 DFADHO COc1ccc(OC(F)F)c(CNCC2=CC[N@@H+](C)CC2)c1 ZINC000271775194 209204504 /nfs/dbraw/zinc/20/45/04/209204504.db2.gz CJWPWPHQGNAGPD-UHFFFAOYSA-N 1 3 312.360 2.648 20 0 DFADHO CCC[C@](C)(N)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545208 203075017 /nfs/dbraw/zinc/07/50/17/203075017.db2.gz JQMSQMHRUDDNDJ-IEZWGBDMSA-N 1 3 317.477 2.531 20 0 DFADHO CCC[C@](C)(N)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261545208 203075021 /nfs/dbraw/zinc/07/50/21/203075021.db2.gz JQMSQMHRUDDNDJ-IEZWGBDMSA-N 1 3 317.477 2.531 20 0 DFADHO CCOc1cc(C[N@H+](C)CC2CCN(C)CC2)ccc1OC ZINC000093088902 193202248 /nfs/dbraw/zinc/20/22/48/193202248.db2.gz GUHSQMLAXYDJHG-UHFFFAOYSA-N 1 3 306.450 2.868 20 0 DFADHO CCOc1cc(C[N@@H+](C)CC2CCN(C)CC2)ccc1OC ZINC000093088902 193202251 /nfs/dbraw/zinc/20/22/51/193202251.db2.gz GUHSQMLAXYDJHG-UHFFFAOYSA-N 1 3 306.450 2.868 20 0 DFADHO CCC[C@@](C)(N)C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000261969709 203164134 /nfs/dbraw/zinc/16/41/34/203164134.db2.gz PWMYPBGHPCGBTJ-FUHWJXTLSA-N 1 3 305.466 2.703 20 0 DFADHO C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[C@H](N)c1ccccc1 ZINC000262681442 203379992 /nfs/dbraw/zinc/37/99/92/203379992.db2.gz XKMGCYIECDJXHE-SZMVWBNQSA-N 1 3 317.477 2.655 20 0 DFADHO C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[C@H](N)c1ccccc1 ZINC000262681442 203379994 /nfs/dbraw/zinc/37/99/94/203379994.db2.gz XKMGCYIECDJXHE-SZMVWBNQSA-N 1 3 317.477 2.655 20 0 DFADHO COc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1O ZINC000093688495 193289742 /nfs/dbraw/zinc/28/97/42/193289742.db2.gz JREDFWAOHUXELX-UHFFFAOYSA-N 1 3 306.450 2.955 20 0 DFADHO COC(=O)c1cc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000595900964 399128157 /nfs/dbraw/zinc/12/81/57/399128157.db2.gz QJKYHDWNVMYVQR-OAHLLOKOSA-N 1 3 322.474 2.746 20 0 DFADHO CCOc1cc2nccc(N3CC[C@@H](C[NH3+])C3)c2cc1OCC ZINC000420175295 296160320 /nfs/dbraw/zinc/16/03/20/296160320.db2.gz VBBPXPGYKHZUCU-ZDUSSCGKSA-N 1 3 315.417 2.817 20 0 DFADHO CCOc1cc2nccc(N3CC[C@H](C[NH3+])C3)c2cc1OCC ZINC000420175294 296160382 /nfs/dbraw/zinc/16/03/82/296160382.db2.gz VBBPXPGYKHZUCU-CYBMUJFWSA-N 1 3 315.417 2.817 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnn(C(C)C)c2)[C@@H](C)C1 ZINC000341007977 284228045 /nfs/dbraw/zinc/22/80/45/284228045.db2.gz JSECZKNANLVNPL-FUHWJXTLSA-N 1 3 322.497 2.691 20 0 DFADHO CCc1c(C)nc2ccccc2c1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000420252458 296165864 /nfs/dbraw/zinc/16/58/64/296165864.db2.gz BCCOGCIJTNRILO-MRXNPFEDSA-N 1 3 324.472 2.590 20 0 DFADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420279925 296168592 /nfs/dbraw/zinc/16/85/92/296168592.db2.gz XTXASAQXVIHMTO-IUODEOHRSA-N 1 3 309.841 2.870 20 0 DFADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420279925 296168594 /nfs/dbraw/zinc/16/85/94/296168594.db2.gz XTXASAQXVIHMTO-IUODEOHRSA-N 1 3 309.841 2.870 20 0 DFADHO CCOc1cc2nccc(N3C[C@@H](C)[C@@H]([NH3+])C3)c2cc1OCC ZINC000420283923 296169245 /nfs/dbraw/zinc/16/92/45/296169245.db2.gz UDBPAPRKGFKWQY-OCCSQVGLSA-N 1 3 315.417 2.816 20 0 DFADHO C(CN1CCC(C[NH+]2CCCCCC2)CC1)OC[C@@H]1CCCO1 ZINC000607356831 399159377 /nfs/dbraw/zinc/15/93/77/399159377.db2.gz AFPQBFZYTWMKSI-IBGZPJMESA-N 1 3 324.509 2.770 20 0 DFADHO Cc1ccccc1[C@@H]1CC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420299481 296171364 /nfs/dbraw/zinc/17/13/64/296171364.db2.gz ITVMVORHQAAGDC-GIVPXCGWSA-N 1 3 324.468 2.715 20 0 DFADHO Cc1ccccc1[C@@H]1CC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420299481 296171365 /nfs/dbraw/zinc/17/13/65/296171365.db2.gz ITVMVORHQAAGDC-GIVPXCGWSA-N 1 3 324.468 2.715 20 0 DFADHO Cc1ccccc1[C@@H]1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299481 296171366 /nfs/dbraw/zinc/17/13/66/296171366.db2.gz ITVMVORHQAAGDC-GIVPXCGWSA-N 1 3 324.468 2.715 20 0 DFADHO Cc1cc(C)cc(NC(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000420304314 296172346 /nfs/dbraw/zinc/17/23/46/296172346.db2.gz IOSJNSKZYYLGNG-MRXNPFEDSA-N 1 3 315.461 2.706 20 0 DFADHO CC(C)[N@H+](C[C@@H](C)N)C[C@@H](O)COc1cccc2ccccc21 ZINC000420302981 296172359 /nfs/dbraw/zinc/17/23/59/296172359.db2.gz KEHONDIVGLGETH-NVXWUHKLSA-N 1 3 316.445 2.637 20 0 DFADHO CC(C)[N@@H+](C[C@@H](C)N)C[C@@H](O)COc1cccc2ccccc21 ZINC000420302981 296172360 /nfs/dbraw/zinc/17/23/60/296172360.db2.gz KEHONDIVGLGETH-NVXWUHKLSA-N 1 3 316.445 2.637 20 0 DFADHO C[NH2+]CCC1CCN(Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000420307321 296172523 /nfs/dbraw/zinc/17/25/23/296172523.db2.gz LUYHFHNCKWHANG-UHFFFAOYSA-N 1 3 301.356 2.922 20 0 DFADHO O=C(c1ccc(F)cc1)[C@@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420312285 296173449 /nfs/dbraw/zinc/17/34/49/296173449.db2.gz WQNDRNWJNBBYAF-GOEBONIOSA-N 1 3 304.409 2.720 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCOc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000420313483 296173827 /nfs/dbraw/zinc/17/38/27/296173827.db2.gz UCEFFYLGBFHJGJ-NORZTCDRSA-N 1 3 312.816 2.917 20 0 DFADHO CCOc1ccccc1NC(=O)CCN1CCCC[C@@H]1CC[NH3+] ZINC000420314367 296173870 /nfs/dbraw/zinc/17/38/70/296173870.db2.gz KSRCHVYADJPSIP-OAHLLOKOSA-N 1 3 319.449 2.617 20 0 DFADHO Clc1cccc([C@@H]2CNCCN2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420322565 296174740 /nfs/dbraw/zinc/17/47/40/296174740.db2.gz WSKYJUJFCADDLK-YOEHRIQHSA-N 1 3 307.869 2.676 20 0 DFADHO FC(F)(F)c1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000420331621 296176376 /nfs/dbraw/zinc/17/63/76/296176376.db2.gz RAZYCSCLZNZZFB-QWHCGFSZSA-N 1 3 313.367 2.922 20 0 DFADHO C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327690 296176004 /nfs/dbraw/zinc/17/60/04/296176004.db2.gz DNWLSXNEVMQGPP-MELADBBJSA-N 1 3 321.852 2.598 20 0 DFADHO CCCN1CCC([N@H+](C)Cc2ccc3c(c2)ncn3C)CC1 ZINC000271723878 209158313 /nfs/dbraw/zinc/15/83/13/209158313.db2.gz KWRGEKGRDRLSEO-UHFFFAOYSA-N 1 3 300.450 2.880 20 0 DFADHO CCCN1CCC([N@@H+](C)Cc2ccc3c(c2)ncn3C)CC1 ZINC000271723878 209158315 /nfs/dbraw/zinc/15/83/15/209158315.db2.gz KWRGEKGRDRLSEO-UHFFFAOYSA-N 1 3 300.450 2.880 20 0 DFADHO Cc1cc(C)cc(NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420339003 296177582 /nfs/dbraw/zinc/17/75/82/296177582.db2.gz LJXCDZZEXPVSHG-DLBZAZTESA-N 1 3 315.461 2.563 20 0 DFADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)Nc1ccccc1Cl ZINC000420356371 296179150 /nfs/dbraw/zinc/17/91/50/296179150.db2.gz GHKDRAWOHXSVLK-CQSZACIVSA-N 1 3 309.841 2.646 20 0 DFADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000420356371 296179151 /nfs/dbraw/zinc/17/91/51/296179151.db2.gz GHKDRAWOHXSVLK-CQSZACIVSA-N 1 3 309.841 2.646 20 0 DFADHO CC1(C)CNCC[C@H]1[NH2+]CCCc1nc(-c2cccs2)no1 ZINC000420358460 296179683 /nfs/dbraw/zinc/17/96/83/296179683.db2.gz ITYTUBKWWYFYFD-CYBMUJFWSA-N 1 3 320.462 2.708 20 0 DFADHO CC1(C)C[NH2+]CC[C@H]1NCCCc1nc(-c2cccs2)no1 ZINC000420358460 296179684 /nfs/dbraw/zinc/17/96/84/296179684.db2.gz ITYTUBKWWYFYFD-CYBMUJFWSA-N 1 3 320.462 2.708 20 0 DFADHO C[C@H](CC(=O)OC(C)(C)C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596096637 399171804 /nfs/dbraw/zinc/17/18/04/399171804.db2.gz WCCFJGSUEMBKOG-GDBMZVCRSA-N 1 3 310.482 2.818 20 0 DFADHO C[C@H](CC(=O)OC(C)(C)C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096637 399171811 /nfs/dbraw/zinc/17/18/11/399171811.db2.gz WCCFJGSUEMBKOG-GDBMZVCRSA-N 1 3 310.482 2.818 20 0 DFADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000596096637 399171817 /nfs/dbraw/zinc/17/18/17/399171817.db2.gz WCCFJGSUEMBKOG-GDBMZVCRSA-N 1 3 310.482 2.818 20 0 DFADHO C[C@H](c1ccsc1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420362006 296180492 /nfs/dbraw/zinc/18/04/92/296180492.db2.gz AAXISLIREWVMRN-HZPDHXFCSA-N 1 3 307.507 2.816 20 0 DFADHO C[C@@H](c1cccc(F)c1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420369037 296181667 /nfs/dbraw/zinc/18/16/67/296181667.db2.gz XJQYNAFYKFXMTB-DLBZAZTESA-N 1 3 319.468 2.894 20 0 DFADHO COc1cccc([C@H](C)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420374998 296182290 /nfs/dbraw/zinc/18/22/90/296182290.db2.gz IFMCCRJPGYYYFE-ZOCIIQOWSA-N 1 3 318.461 2.975 20 0 DFADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420383279 296183975 /nfs/dbraw/zinc/18/39/75/296183975.db2.gz FNYDQPVJAIDGAZ-XGXHKWSGSA-N 1 3 324.509 2.800 20 0 DFADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420382948 296184127 /nfs/dbraw/zinc/18/41/27/296184127.db2.gz QADNZUMEUUAYHP-OQIJWPOYSA-N 1 3 324.509 2.800 20 0 DFADHO c1cc(CCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000420390170 296184755 /nfs/dbraw/zinc/18/47/55/296184755.db2.gz HYQIYNQMLALTQN-MSOLQXFVSA-N 1 3 300.446 2.628 20 0 DFADHO COCc1cccc(OCC2(C[N@H+]3C[C@H](N)[C@@H](C)C3)CCC2)c1 ZINC000420390002 296184769 /nfs/dbraw/zinc/18/47/69/296184769.db2.gz XTVCWPXFTJPOMV-YJBOKZPZSA-N 1 3 318.461 2.661 20 0 DFADHO COCc1cccc(OCC2(C[N@@H+]3C[C@H](N)[C@@H](C)C3)CCC2)c1 ZINC000420390002 296184771 /nfs/dbraw/zinc/18/47/71/296184771.db2.gz XTVCWPXFTJPOMV-YJBOKZPZSA-N 1 3 318.461 2.661 20 0 DFADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(F)c1 ZINC000420390943 296185498 /nfs/dbraw/zinc/18/54/98/296185498.db2.gz IBDNHWMSNBMRPP-RHSMWYFYSA-N 1 3 319.424 2.618 20 0 DFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCSc2ccccc2)CC1 ZINC000420389059 296185037 /nfs/dbraw/zinc/18/50/37/296185037.db2.gz XTVAJLLCUDFDNG-ROUUACIJSA-N 1 3 320.502 2.997 20 0 DFADHO [NH3+]CCOCCN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000420401304 296186549 /nfs/dbraw/zinc/18/65/49/296186549.db2.gz JCEOMGWMJUSNME-AWEZNQCLSA-N 1 3 302.340 2.721 20 0 DFADHO COc1cc2nccc(N(C)C[C@H]3CCC[N@@H+]3C)c2cc1OC ZINC000420628641 296193815 /nfs/dbraw/zinc/19/38/15/296193815.db2.gz BIMFECPPOLOZKF-CYBMUJFWSA-N 1 3 315.417 2.782 20 0 DFADHO COc1cc2nccc(N(C)C[C@H]3CCC[N@H+]3C)c2cc1OC ZINC000420628641 296193816 /nfs/dbraw/zinc/19/38/16/296193816.db2.gz BIMFECPPOLOZKF-CYBMUJFWSA-N 1 3 315.417 2.782 20 0 DFADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000614331279 399209866 /nfs/dbraw/zinc/20/98/66/399209866.db2.gz PJXYWLCHEVHXIG-DLBZAZTESA-N 1 3 321.509 2.584 20 0 DFADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000614331279 399209868 /nfs/dbraw/zinc/20/98/68/399209868.db2.gz PJXYWLCHEVHXIG-DLBZAZTESA-N 1 3 321.509 2.584 20 0 DFADHO Cc1ccc([C@@H]([NH2+]CC2(O)CCN(C)CC2)C2CCCC2)o1 ZINC000342802504 284416569 /nfs/dbraw/zinc/41/65/69/284416569.db2.gz NFHZMUMCUJISIC-KRWDZBQOSA-N 1 3 306.450 2.866 20 0 DFADHO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000421028824 296228309 /nfs/dbraw/zinc/22/83/09/296228309.db2.gz UOLHOBGZEVGAHG-PMPSAXMXSA-N 1 3 310.482 2.770 20 0 DFADHO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000421028824 296228311 /nfs/dbraw/zinc/22/83/11/296228311.db2.gz UOLHOBGZEVGAHG-PMPSAXMXSA-N 1 3 310.482 2.770 20 0 DFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc2c(c1)CNC2 ZINC000261636201 284614381 /nfs/dbraw/zinc/61/43/81/284614381.db2.gz DNIIPGHAHDSXMH-UHFFFAOYSA-N 1 3 317.477 2.730 20 0 DFADHO CC[C@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)N(CC)CC ZINC000344648563 284666334 /nfs/dbraw/zinc/66/63/34/284666334.db2.gz DGJSZNMGKXTANU-IAGOWNOFSA-N 1 3 311.514 2.734 20 0 DFADHO CN1CCN(CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1Cc1ccccc1 ZINC000284681262 218131085 /nfs/dbraw/zinc/13/10/85/218131085.db2.gz GXXGDZLXLUWOQN-PMACEKPBSA-N 1 3 315.505 2.720 20 0 DFADHO CN1CCN(CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1Cc1ccccc1 ZINC000284681262 218131087 /nfs/dbraw/zinc/13/10/87/218131087.db2.gz GXXGDZLXLUWOQN-PMACEKPBSA-N 1 3 315.505 2.720 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623338313 399365599 /nfs/dbraw/zinc/36/55/99/399365599.db2.gz UVTRMUKKKLVGQE-ZWKOTPCHSA-N 1 3 301.478 2.723 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623338313 399365600 /nfs/dbraw/zinc/36/56/00/399365600.db2.gz UVTRMUKKKLVGQE-ZWKOTPCHSA-N 1 3 301.478 2.723 20 0 DFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623338313 399365602 /nfs/dbraw/zinc/36/56/02/399365602.db2.gz UVTRMUKKKLVGQE-ZWKOTPCHSA-N 1 3 301.478 2.723 20 0 DFADHO CCC(=O)Nc1cccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000623361194 399371925 /nfs/dbraw/zinc/37/19/25/399371925.db2.gz QUVQCHSMKBSWJK-INIZCTEOSA-N 1 3 303.450 2.998 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCNCC(C)(C)C2)C[C@H]1C ZINC000601974819 399372509 /nfs/dbraw/zinc/37/25/09/399372509.db2.gz VVBQIMMIFRZMOB-FXUDXRNXSA-N 1 3 310.482 2.722 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C(C)C)N(C)C ZINC000106427588 194211212 /nfs/dbraw/zinc/21/12/12/194211212.db2.gz LRDQWSQHVNHOOS-GOSISDBHSA-N 1 3 319.493 2.731 20 0 DFADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000268837200 207003326 /nfs/dbraw/zinc/00/33/26/207003326.db2.gz SMZJEOJRYBWVKK-ZDUSSCGKSA-N 1 3 316.392 2.907 20 0 DFADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000268837200 207003330 /nfs/dbraw/zinc/00/33/30/207003330.db2.gz SMZJEOJRYBWVKK-ZDUSSCGKSA-N 1 3 316.392 2.907 20 0 DFADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000268837198 207001874 /nfs/dbraw/zinc/00/18/74/207001874.db2.gz SMZJEOJRYBWVKK-CYBMUJFWSA-N 1 3 316.392 2.907 20 0 DFADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000268837198 207001875 /nfs/dbraw/zinc/00/18/75/207001875.db2.gz SMZJEOJRYBWVKK-CYBMUJFWSA-N 1 3 316.392 2.907 20 0 DFADHO CC(C)Oc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000268837612 207003747 /nfs/dbraw/zinc/00/37/47/207003747.db2.gz MFTFVGBMQRBIQS-MRXNPFEDSA-N 1 3 320.477 2.971 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000268863644 207034079 /nfs/dbraw/zinc/03/40/79/207034079.db2.gz GQGNPCKNDMUMLB-JCGIZDLHSA-N 1 3 306.450 2.581 20 0 DFADHO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)c2ccccc21 ZINC000623474924 399397494 /nfs/dbraw/zinc/39/74/94/399397494.db2.gz VNXKPGXFQYQQBG-NVXWUHKLSA-N 1 3 315.461 2.947 20 0 DFADHO C[C@@H]1C[C@H](C)[N@H+](CCCOCCc2ccccc2)C[C@@H]1CN ZINC000422625259 296316508 /nfs/dbraw/zinc/31/65/08/296316508.db2.gz BBZZKSNSMNVIBY-AOIWGVFYSA-N 1 3 304.478 2.941 20 0 DFADHO C[C@@H]1C[C@H](C)[N@@H+](CCCOCCc2ccccc2)C[C@@H]1CN ZINC000422625259 296316510 /nfs/dbraw/zinc/31/65/10/296316510.db2.gz BBZZKSNSMNVIBY-AOIWGVFYSA-N 1 3 304.478 2.941 20 0 DFADHO C[C@@H]1C[C@H](C)N(CCCOCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000422625259 296316513 /nfs/dbraw/zinc/31/65/13/296316513.db2.gz BBZZKSNSMNVIBY-AOIWGVFYSA-N 1 3 304.478 2.941 20 0 DFADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)COC)cc1OC ZINC000268901895 207072051 /nfs/dbraw/zinc/07/20/51/207072051.db2.gz WVTVJHIKZSYHRT-HNNXBMFYSA-N 1 3 324.465 2.540 20 0 DFADHO COc1ccc(CCC[NH2+][C@@H]2CCCC[C@@H]2CN)cc1OC ZINC000422699167 296318303 /nfs/dbraw/zinc/31/83/03/296318303.db2.gz AHEXUUPDTBLVPX-HZPDHXFCSA-N 1 3 306.450 2.744 20 0 DFADHO CN1CC[C@@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623511075 399404868 /nfs/dbraw/zinc/40/48/68/399404868.db2.gz YZUYLXQFQJOIPC-RTBURBONSA-N 1 3 315.505 2.971 20 0 DFADHO CCCCN(C)CCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422706642 296319536 /nfs/dbraw/zinc/31/95/36/296319536.db2.gz FQLMHVWFMVQQEK-RTBURBONSA-N 1 3 319.493 2.810 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422706946 296319346 /nfs/dbraw/zinc/31/93/46/296319346.db2.gz VHWIGAOGXURHNZ-SMDDNHRTSA-N 1 3 315.230 2.848 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1cc(Br)ccc1F ZINC000422706946 296319348 /nfs/dbraw/zinc/31/93/48/296319348.db2.gz VHWIGAOGXURHNZ-SMDDNHRTSA-N 1 3 315.230 2.848 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NCC[N@H+](C)C1CCCCC1 ZINC000422706446 296319449 /nfs/dbraw/zinc/31/94/49/296319449.db2.gz UJIPQLHEUALPBA-AWEZNQCLSA-N 1 3 304.482 2.764 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NCC[N@@H+](C)C1CCCCC1 ZINC000422706446 296319452 /nfs/dbraw/zinc/31/94/52/296319452.db2.gz UJIPQLHEUALPBA-AWEZNQCLSA-N 1 3 304.482 2.764 20 0 DFADHO Brc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000422713289 296320253 /nfs/dbraw/zinc/32/02/53/296320253.db2.gz JJRZOUHBEJIGLH-ZACCUICWSA-N 1 3 315.280 2.926 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422713556 296320353 /nfs/dbraw/zinc/32/03/53/296320353.db2.gz PXCJFDQKCHEKIG-FGTMMUONSA-N 1 3 320.452 2.850 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623531163 399409903 /nfs/dbraw/zinc/40/99/03/399409903.db2.gz KXGFPCXENGNOIL-GJZGRUSLSA-N 1 3 305.441 2.867 20 0 DFADHO C[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623531163 399409905 /nfs/dbraw/zinc/40/99/05/399409905.db2.gz KXGFPCXENGNOIL-GJZGRUSLSA-N 1 3 305.441 2.867 20 0 DFADHO C[NH+](C)CCCC(C)(C)NCc1cn(-c2ccc(F)cc2)nn1 ZINC000623539880 399411786 /nfs/dbraw/zinc/41/17/86/399411786.db2.gz AHYINHUSOYMVBT-UHFFFAOYSA-N 1 3 319.428 2.616 20 0 DFADHO CCC(CC)C(=O)N1CCC(N[C@H](CC)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422723524 296321660 /nfs/dbraw/zinc/32/16/60/296321660.db2.gz RRYSJUPAIKZZGB-MSOLQXFVSA-N 1 3 323.525 2.924 20 0 DFADHO CN(C)C[C@H](Cc1ccccc1)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422719952 296321448 /nfs/dbraw/zinc/32/14/48/296321448.db2.gz RSBONDJPZRHGDJ-FFZOFVMBSA-N 1 3 309.457 2.894 20 0 DFADHO N[C@H]1CCCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000422726149 296322194 /nfs/dbraw/zinc/32/21/94/296322194.db2.gz DGHHXZPXSVTBHB-OALUTQOASA-N 1 3 301.478 2.901 20 0 DFADHO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1cnccc1N ZINC000422727225 296322587 /nfs/dbraw/zinc/32/25/87/296322587.db2.gz BUOVKJDRGYVNCP-KXBFYZLASA-N 1 3 310.445 2.982 20 0 DFADHO C[C@H](CC[NH+](C)C)N[C@H](C)c1cccc(N2CCOCC2)c1 ZINC000268995762 207151262 /nfs/dbraw/zinc/15/12/62/207151262.db2.gz KNCHSFQGNYBWIP-HZPDHXFCSA-N 1 3 305.466 2.514 20 0 DFADHO CN1CCCC[C@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000623657767 399437879 /nfs/dbraw/zinc/43/78/79/399437879.db2.gz YQRDHIVQNBUADT-CQSZACIVSA-N 1 3 304.463 2.755 20 0 DFADHO C[N@@H+]1CCCC[C@H](CNCc2cc(-n3ccnc3)cs2)C1 ZINC000623657767 399437881 /nfs/dbraw/zinc/43/78/81/399437881.db2.gz YQRDHIVQNBUADT-CQSZACIVSA-N 1 3 304.463 2.755 20 0 DFADHO C[N@H+]1CCCC[C@H](CNCc2cc(-n3ccnc3)cs2)C1 ZINC000623657767 399437884 /nfs/dbraw/zinc/43/78/84/399437884.db2.gz YQRDHIVQNBUADT-CQSZACIVSA-N 1 3 304.463 2.755 20 0 DFADHO CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000269054471 207202178 /nfs/dbraw/zinc/20/21/78/207202178.db2.gz ITSVDSYZEGWIRU-HZPDHXFCSA-N 1 3 308.466 2.686 20 0 DFADHO COC(=O)C(C)(C)[C@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000611322977 399462337 /nfs/dbraw/zinc/46/23/37/399462337.db2.gz ILVCBTGNVQPSPZ-HOTGVXAUSA-N 1 3 310.482 2.772 20 0 DFADHO COC(=O)C(C)(C)[C@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000611322977 399462339 /nfs/dbraw/zinc/46/23/39/399462339.db2.gz ILVCBTGNVQPSPZ-HOTGVXAUSA-N 1 3 310.482 2.772 20 0 DFADHO COC(=O)c1[nH]c(CNCCCC[NH+]2CCC(C)CC2)cc1C ZINC000602513142 399464924 /nfs/dbraw/zinc/46/49/24/399464924.db2.gz DGFAVGZKNDYMOS-UHFFFAOYSA-N 1 3 321.465 2.711 20 0 DFADHO C[NH2+]CCC1CCN(Cc2cccc(OCCCOC)c2)CC1 ZINC000346692814 284928039 /nfs/dbraw/zinc/92/80/39/284928039.db2.gz JDYSGBYBEBDJJK-UHFFFAOYSA-N 1 3 320.477 2.923 20 0 DFADHO CC[C@@H]([NH2+]CCN1CCc2sccc2C1)[C@@H]1CCCCN1 ZINC000422738502 296324174 /nfs/dbraw/zinc/32/41/74/296324174.db2.gz JMPWAHBVDGZJIF-CVEARBPZSA-N 1 3 307.507 2.617 20 0 DFADHO COc1ccccc1[C@H](CN[C@H]1CCC[C@H]1C[NH3+])N1CCCC1 ZINC000422748588 296325574 /nfs/dbraw/zinc/32/55/74/296325574.db2.gz VEZJIGUZQNOSTF-SZMVWBNQSA-N 1 3 317.477 2.549 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000269234190 207360472 /nfs/dbraw/zinc/36/04/72/207360472.db2.gz FKWKGESJOJXXEX-AEFFLSMTSA-N 1 3 319.493 2.951 20 0 DFADHO CN(C)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1N)c1c(F)cccc1F ZINC000422745628 296325369 /nfs/dbraw/zinc/32/53/69/296325369.db2.gz MPTOPCXHFXBECJ-HRCADAONSA-N 1 3 311.420 2.817 20 0 DFADHO COc1ccccc1[C@H](CN[C@@H](C)C[C@H](C)[NH3+])N1CCCC1 ZINC000422749007 296326089 /nfs/dbraw/zinc/32/60/89/296326089.db2.gz WZUOCZKPQBWKPK-ZOBUZTSGSA-N 1 3 305.466 2.548 20 0 DFADHO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422750012 296326224 /nfs/dbraw/zinc/32/62/24/296326224.db2.gz BVWDHTIVKDCZKS-JKSUJKDBSA-N 1 3 300.450 2.842 20 0 DFADHO CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)cc1OCC ZINC000422751866 296326422 /nfs/dbraw/zinc/32/64/22/296326422.db2.gz DDKUBMIDYOIRDI-HZPDHXFCSA-N 1 3 306.450 2.744 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000422755250 296327275 /nfs/dbraw/zinc/32/72/75/296327275.db2.gz GMTAPDUGUVQCBE-BHYGNILZSA-N 1 3 305.441 2.820 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422755250 296327276 /nfs/dbraw/zinc/32/72/76/296327276.db2.gz GMTAPDUGUVQCBE-BHYGNILZSA-N 1 3 305.441 2.820 20 0 DFADHO C[C@@H](NCC1(c2cccc(Cl)c2)CCOCC1)C1C[NH2+]C1 ZINC000422760361 296328014 /nfs/dbraw/zinc/32/80/14/296328014.db2.gz LXCATAJQRFAXOD-CYBMUJFWSA-N 1 3 308.853 2.586 20 0 DFADHO C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C1CNC1 ZINC000422760361 296328016 /nfs/dbraw/zinc/32/80/16/296328016.db2.gz LXCATAJQRFAXOD-CYBMUJFWSA-N 1 3 308.853 2.586 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422759739 296328162 /nfs/dbraw/zinc/32/81/62/296328162.db2.gz LGJWPLYDWFEUQJ-VBNZEHGJSA-N 1 3 312.454 2.650 20 0 DFADHO COc1ccc([C@H](CN[C@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000422760592 296328451 /nfs/dbraw/zinc/32/84/51/296328451.db2.gz QILPCFNZKBMEMK-HKUYNNGSSA-N 1 3 317.477 2.564 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](CO)Cc1ccc(F)cc1 ZINC000422762346 296328826 /nfs/dbraw/zinc/32/88/26/296328826.db2.gz NNVSQDFJQAXDRA-SZVBFZGTSA-N 1 3 322.468 2.877 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422771103 296330396 /nfs/dbraw/zinc/33/03/96/296330396.db2.gz XQHNWCWJMNJELE-RHSMWYFYSA-N 1 3 306.425 2.591 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@H]3CC[NH2+]CC[C@@H]3C)C2)c1 ZINC000422770059 296330405 /nfs/dbraw/zinc/33/04/05/296330405.db2.gz WHVAJLFCZIWDRY-BXWFABGCSA-N 1 3 317.477 2.642 20 0 DFADHO CCOc1cc(CCC[NH2+][C@@H]2CCC[C@@H]2CN)ccc1OC ZINC000422768935 296330002 /nfs/dbraw/zinc/33/00/02/296330002.db2.gz ZSNATKYWMAOLOW-HZPDHXFCSA-N 1 3 306.450 2.744 20 0 DFADHO CCOc1cc(CCC[NH2+][C@H]2CCC[C@@H]2CN)ccc1OC ZINC000422768933 296330072 /nfs/dbraw/zinc/33/00/72/296330072.db2.gz ZSNATKYWMAOLOW-CVEARBPZSA-N 1 3 306.450 2.744 20 0 DFADHO COc1ccc([C@H](CN[C@H](C)C[C@H](C)[NH3+])N2CCCCC2)cc1 ZINC000422769176 296330097 /nfs/dbraw/zinc/33/00/97/296330097.db2.gz UTEZNCGNAQIHTL-FCEWJHQRSA-N 1 3 319.493 2.938 20 0 DFADHO COc1ccc([C@H](C)CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)cc1 ZINC000422776074 296331020 /nfs/dbraw/zinc/33/10/20/296331020.db2.gz CCANNDZMOVBZGV-DTTOXWODSA-N 1 3 306.450 2.531 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000422780853 296331839 /nfs/dbraw/zinc/33/18/39/296331839.db2.gz KUOBNWSEHQNLQD-DXEWXGHRSA-N 1 3 303.450 2.703 20 0 DFADHO C[C@@H](CCCC[NH3+])N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422777613 296331725 /nfs/dbraw/zinc/33/17/25/296331725.db2.gz FVIHQVVUGQKUNF-ZFWWWQNUSA-N 1 3 323.868 2.943 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCn1cnc2ccccc21 ZINC000422781430 296332091 /nfs/dbraw/zinc/33/20/91/296332091.db2.gz KNVXCORZDNVMNV-CQSZACIVSA-N 1 3 323.444 2.939 20 0 DFADHO CN(C)C1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)Cc2ccccc2C1 ZINC000422785240 296332293 /nfs/dbraw/zinc/33/22/93/296332293.db2.gz PFPGNRXJXFFYKB-UXHICEINSA-N 1 3 321.468 2.820 20 0 DFADHO C[C@@H](NCCc1csc(-c2ccccc2)n1)[C@H]1CC[NH2+]C1 ZINC000422785690 296332778 /nfs/dbraw/zinc/33/27/78/296332778.db2.gz NVKCNPOMGOFELM-HIFRSBDPSA-N 1 3 301.459 2.940 20 0 DFADHO C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)COCC1CCOCC1 ZINC000422791252 296333273 /nfs/dbraw/zinc/33/32/73/296333273.db2.gz VVFBIWYOBIIEQB-GUDVDZBRSA-N 1 3 324.509 2.720 20 0 DFADHO CCOC(=O)[C@](C)(CN[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000602629745 399496741 /nfs/dbraw/zinc/49/67/41/399496741.db2.gz JFZOUASKDOWEMU-HHXXYDBFSA-N 1 3 318.461 2.580 20 0 DFADHO CCOC(=O)[C@](C)(CN[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000602629745 399496743 /nfs/dbraw/zinc/49/67/43/399496743.db2.gz JFZOUASKDOWEMU-HHXXYDBFSA-N 1 3 318.461 2.580 20 0 DFADHO CCC[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1)N(C)C ZINC000422792311 296333805 /nfs/dbraw/zinc/33/38/05/296333805.db2.gz DIHREUNQBMQPDK-SJORKVTESA-N 1 3 305.466 2.656 20 0 DFADHO Cc1ccc(O[C@H](C)CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422795501 296334363 /nfs/dbraw/zinc/33/43/63/296334363.db2.gz VTUXXPDUBPMUSN-OQIJWPOYSA-N 1 3 318.461 2.509 20 0 DFADHO CN(C)CCOc1cccc(N[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623949518 399501700 /nfs/dbraw/zinc/50/17/00/399501700.db2.gz UROGEDSHXPRCLI-INIZCTEOSA-N 1 3 305.466 2.912 20 0 DFADHO CN(C)CCOc1cccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623949518 399501702 /nfs/dbraw/zinc/50/17/02/399501702.db2.gz UROGEDSHXPRCLI-INIZCTEOSA-N 1 3 305.466 2.912 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000269251629 207387245 /nfs/dbraw/zinc/38/72/45/207387245.db2.gz ZFFZQPYGPMZDFI-CRAIPNDOSA-N 1 3 317.477 2.518 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000269251629 207387253 /nfs/dbraw/zinc/38/72/53/207387253.db2.gz ZFFZQPYGPMZDFI-CRAIPNDOSA-N 1 3 317.477 2.518 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])cc1 ZINC000422797535 296334954 /nfs/dbraw/zinc/33/49/54/296334954.db2.gz NDQHYZKXPWTIMG-XYPHTWIQSA-N 1 3 305.466 2.545 20 0 DFADHO c1cc2c(cc1C1(C[NH2+]C3CCNCC3)CCCC1)OCCO2 ZINC000422797606 296334962 /nfs/dbraw/zinc/33/49/62/296334962.db2.gz NNXRMNHFHYRBNK-UHFFFAOYSA-N 1 3 316.445 2.611 20 0 DFADHO c1cc2c(cc1C1(CNC3CC[NH2+]CC3)CCCC1)OCCO2 ZINC000422797606 296334964 /nfs/dbraw/zinc/33/49/64/296334964.db2.gz NNXRMNHFHYRBNK-UHFFFAOYSA-N 1 3 316.445 2.611 20 0 DFADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422800033 296335153 /nfs/dbraw/zinc/33/51/53/296335153.db2.gz ZDZREKCNCJTOCU-JKSUJKDBSA-N 1 3 316.445 2.739 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1nc(C(F)(F)F)cs1 ZINC000422801670 296335410 /nfs/dbraw/zinc/33/54/10/296335410.db2.gz CJIDZCOZWORQDC-VHSXEESVSA-N 1 3 307.385 2.682 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1cc(Cl)ccc1OC(F)F ZINC000422809015 296336891 /nfs/dbraw/zinc/33/68/91/296336891.db2.gz LRUCRKNGFIIHEC-GFCCVEGCSA-N 1 3 322.783 2.785 20 0 DFADHO C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)c1cnccc1N ZINC000422810039 296337133 /nfs/dbraw/zinc/33/71/33/296337133.db2.gz QWFMRCTXMLUUIT-HNNXBMFYSA-N 1 3 310.445 2.593 20 0 DFADHO C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1cnccc1N ZINC000422810039 296337134 /nfs/dbraw/zinc/33/71/34/296337134.db2.gz QWFMRCTXMLUUIT-HNNXBMFYSA-N 1 3 310.445 2.593 20 0 DFADHO C[C@H]([NH2+]CCCN1CCc2ccccc2C1)c1cnccc1N ZINC000422810039 296337135 /nfs/dbraw/zinc/33/71/35/296337135.db2.gz QWFMRCTXMLUUIT-HNNXBMFYSA-N 1 3 310.445 2.593 20 0 DFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1CCc2ccccc21 ZINC000422806560 296336655 /nfs/dbraw/zinc/33/66/55/296336655.db2.gz NPXJJGFSMNPJNO-YLJYHZDGSA-N 1 3 323.484 2.987 20 0 DFADHO C[C@@H](NCCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422817737 296338792 /nfs/dbraw/zinc/33/87/92/296338792.db2.gz IDSXOGLIBYEXIP-HIFRSBDPSA-N 1 3 321.431 2.771 20 0 DFADHO CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000631844722 399506288 /nfs/dbraw/zinc/50/62/88/399506288.db2.gz LRNGSDNGVNDCQL-KSSFIOAISA-N 1 3 313.449 2.868 20 0 DFADHO CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000631844722 399506291 /nfs/dbraw/zinc/50/62/91/399506291.db2.gz LRNGSDNGVNDCQL-KSSFIOAISA-N 1 3 313.449 2.868 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ccc(F)cc1F ZINC000422819717 296339068 /nfs/dbraw/zinc/33/90/68/296339068.db2.gz NQPQCUFAPSNQGH-LLVKDONJSA-N 1 3 321.371 2.857 20 0 DFADHO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)C[C@@H]1CN ZINC000631841744 399507002 /nfs/dbraw/zinc/50/70/02/399507002.db2.gz PDSLJOBFWFVELB-ZBFHGGJFSA-N 1 3 311.429 2.695 20 0 DFADHO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)C[C@@H]1CN ZINC000631841744 399507010 /nfs/dbraw/zinc/50/70/10/399507010.db2.gz PDSLJOBFWFVELB-ZBFHGGJFSA-N 1 3 311.429 2.695 20 0 DFADHO C[C@@H]1CN(CCC(=O)Nc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000631841744 399507012 /nfs/dbraw/zinc/50/70/12/399507012.db2.gz PDSLJOBFWFVELB-ZBFHGGJFSA-N 1 3 311.429 2.695 20 0 DFADHO COC(=O)c1csc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000602661061 399507505 /nfs/dbraw/zinc/50/75/05/399507505.db2.gz CBSRQQCBVIEUFQ-CQSZACIVSA-N 1 3 322.474 2.698 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000422825351 296339915 /nfs/dbraw/zinc/33/99/15/296339915.db2.gz JOQOUPSCFMTRKS-WFASDCNBSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1ccccc1Br ZINC000422825351 296339916 /nfs/dbraw/zinc/33/99/16/296339916.db2.gz JOQOUPSCFMTRKS-WFASDCNBSA-N 1 3 311.267 2.969 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cnc(N(CC)CC)s2)CC1 ZINC000347012296 285001916 /nfs/dbraw/zinc/00/19/16/285001916.db2.gz HFPBESRRYVIPCN-UHFFFAOYSA-N 1 3 310.511 2.811 20 0 DFADHO COc1ccccc1N1CCC([NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000422839648 296342461 /nfs/dbraw/zinc/34/24/61/296342461.db2.gz RCKLAPBYBLSZMC-NVXWUHKLSA-N 1 3 317.477 2.642 20 0 DFADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000422832443 296341508 /nfs/dbraw/zinc/34/15/08/296341508.db2.gz VBPDDGDJQSJVOV-IAGOWNOFSA-N 1 3 306.413 2.995 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000422836737 296342009 /nfs/dbraw/zinc/34/20/09/296342009.db2.gz RWUXJWSUVWFGCF-MOPGFXCFSA-N 1 3 303.494 2.671 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2C[NH2+]CC[C@H]2C)N2CCCC2)cc1 ZINC000422835890 296342064 /nfs/dbraw/zinc/34/20/64/296342064.db2.gz ZFBUJFPQEJLEIL-QRQLOZEOSA-N 1 3 301.478 2.720 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422844087 296343351 /nfs/dbraw/zinc/34/33/51/296343351.db2.gz KTUPTJDIHXDOAR-HZPDHXFCSA-N 1 3 311.539 2.598 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422844559 296343507 /nfs/dbraw/zinc/34/35/07/296343507.db2.gz MEZLTBWFJXTNST-KBPBESRZSA-N 1 3 312.417 2.549 20 0 DFADHO CC(C)COc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)cc1 ZINC000422854450 296345216 /nfs/dbraw/zinc/34/52/16/296345216.db2.gz ASQLXOHVJICLPU-ATZDWAIDSA-N 1 3 320.477 2.606 20 0 DFADHO CC(C)COc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422854450 296345218 /nfs/dbraw/zinc/34/52/18/296345218.db2.gz ASQLXOHVJICLPU-ATZDWAIDSA-N 1 3 320.477 2.606 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000118780870 194924869 /nfs/dbraw/zinc/92/48/69/194924869.db2.gz OLJGBZCXOWPGJT-INIZCTEOSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422856631 296345539 /nfs/dbraw/zinc/34/55/39/296345539.db2.gz XFFBOGOTKYBPEV-PEDHHIEDSA-N 1 3 308.388 2.697 20 0 DFADHO CSCc1cc(F)ccc1CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422860646 296346504 /nfs/dbraw/zinc/34/65/04/296346504.db2.gz INKWCTXJQSNKRZ-HFBAOOFYSA-N 1 3 312.454 2.531 20 0 DFADHO COc1ccc(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000422863050 296346660 /nfs/dbraw/zinc/34/66/60/296346660.db2.gz QZOOQFOJTCXZEP-XYPWUTKMSA-N 1 3 318.461 2.854 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000422864190 296346715 /nfs/dbraw/zinc/34/67/15/296346715.db2.gz ULXFGYCXUDFYTQ-WBVHZDCISA-N 1 3 310.445 2.778 20 0 DFADHO Cc1ccncc1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000269602688 207668059 /nfs/dbraw/zinc/66/80/59/207668059.db2.gz WLCSJDZLZVTROQ-IRXDYDNUSA-N 1 3 317.477 2.711 20 0 DFADHO Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)c(N2CCOCC2)c1 ZINC000422867735 296347507 /nfs/dbraw/zinc/34/75/07/296347507.db2.gz SSEHSYCCFSRASU-ROUUACIJSA-N 1 3 317.477 2.581 20 0 DFADHO COCc1cccc(OCC2(C[N@@H+]3C[C@H](N)C[C@@H]3C)CCC2)c1 ZINC000631860926 399511445 /nfs/dbraw/zinc/51/14/45/399511445.db2.gz ROSKPQRGWIAEBU-DOTOQJQBSA-N 1 3 318.461 2.804 20 0 DFADHO COCc1cccc(OCC2(C[N@H+]3C[C@H](N)C[C@@H]3C)CCC2)c1 ZINC000631860926 399511452 /nfs/dbraw/zinc/51/14/52/399511452.db2.gz ROSKPQRGWIAEBU-DOTOQJQBSA-N 1 3 318.461 2.804 20 0 DFADHO CCOCCOCc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2N)c1 ZINC000422867547 296347556 /nfs/dbraw/zinc/34/75/56/296347556.db2.gz SHDROFAMKOFHPI-RTBURBONSA-N 1 3 320.477 2.989 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000422878299 296349085 /nfs/dbraw/zinc/34/90/85/296349085.db2.gz SQDPVITZCJRODI-KRWDZBQOSA-N 1 3 309.498 2.713 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422874534 296348454 /nfs/dbraw/zinc/34/84/54/296348454.db2.gz AIBAONOFTUJNFB-FPCVCCKLSA-N 1 3 318.509 2.866 20 0 DFADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000422873664 296348538 /nfs/dbraw/zinc/34/85/38/296348538.db2.gz AYVJZERBFSYILO-RWMBFGLXSA-N 1 3 304.438 2.747 20 0 DFADHO Cc1ccccc1C1(CN[C@H](C)[C@H]2CC[NH2+]C2)CCOCC1 ZINC000422883348 296350148 /nfs/dbraw/zinc/35/01/48/296350148.db2.gz UULKZCDPWLLFGP-SJORKVTESA-N 1 3 302.462 2.631 20 0 DFADHO C[C@H]([NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1cnccc1N ZINC000422882334 296349629 /nfs/dbraw/zinc/34/96/29/296349629.db2.gz ZYEYLDOBORHEFY-VYDXJSESSA-N 1 3 310.445 2.808 20 0 DFADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnccc1N ZINC000422887715 296351031 /nfs/dbraw/zinc/35/10/31/296351031.db2.gz YZVXWQDCEBHGHZ-XHSDSOJGSA-N 1 3 304.482 2.903 20 0 DFADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnccc1N ZINC000422887715 296351032 /nfs/dbraw/zinc/35/10/32/296351032.db2.gz YZVXWQDCEBHGHZ-XHSDSOJGSA-N 1 3 304.482 2.903 20 0 DFADHO C[C@@H](NCC(C)(C)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000422884672 296350631 /nfs/dbraw/zinc/35/06/31/296350631.db2.gz SOIKKFYWSWEYHW-LLVKDONJSA-N 1 3 311.267 2.924 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)c1ccc(Br)cc1)C1CNC1 ZINC000422884672 296350632 /nfs/dbraw/zinc/35/06/32/296350632.db2.gz SOIKKFYWSWEYHW-LLVKDONJSA-N 1 3 311.267 2.924 20 0 DFADHO COc1cccc(N2CC[C@@H](CN[C@@H](C)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422899814 296352737 /nfs/dbraw/zinc/35/27/37/296352737.db2.gz IGZQBYHTSXWDIU-BXWFABGCSA-N 1 3 317.477 2.642 20 0 DFADHO C[C@@H](NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422902674 296353378 /nfs/dbraw/zinc/35/33/78/296353378.db2.gz UXUMDLNGNJFPSF-RVKKMQEKSA-N 1 3 305.441 2.772 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422902727 296353485 /nfs/dbraw/zinc/35/34/85/296353485.db2.gz VEHVZEKNTQKYSW-IAGOWNOFSA-N 1 3 302.466 2.822 20 0 DFADHO Cc1nc(CCN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])sc1C ZINC000422895058 296352207 /nfs/dbraw/zinc/35/22/07/296352207.db2.gz VDJXQVNOLCLLBT-LRDDRELGSA-N 1 3 303.475 2.851 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1F ZINC000422904879 296353949 /nfs/dbraw/zinc/35/39/49/296353949.db2.gz QYDHZMKXGKHXGP-SUMWQHHRSA-N 1 3 316.424 2.798 20 0 DFADHO C[C@H](N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000422906482 296354336 /nfs/dbraw/zinc/35/43/36/296354336.db2.gz JWCYKOPVLVEYAK-RRFJBIMHSA-N 1 3 323.431 2.517 20 0 DFADHO Fc1ccc(N2CC[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422905477 296354422 /nfs/dbraw/zinc/35/44/22/296354422.db2.gz ZDSDOMYAZJZKOP-KTFSGNIMSA-N 1 3 303.425 2.525 20 0 DFADHO COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCCC[C@@H]3CN)C2)c1 ZINC000422907624 296354702 /nfs/dbraw/zinc/35/47/02/296354702.db2.gz XGRFFJGNDREMJT-GPMSIDNRSA-N 1 3 317.477 2.629 20 0 DFADHO CC[C@H](Nc1cccc(OCCN(C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422909612 296354738 /nfs/dbraw/zinc/35/47/38/296354738.db2.gz GLPNAFCRMBEYKY-ZWKOTPCHSA-N 1 3 305.466 2.960 20 0 DFADHO CSC1(CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)CCOCC1 ZINC000422917260 296355308 /nfs/dbraw/zinc/35/53/08/296355308.db2.gz FSXJRUGSYOBPLF-CABCVRRESA-N 1 3 300.512 2.799 20 0 DFADHO Cc1cccc(NCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422919867 296355586 /nfs/dbraw/zinc/35/55/86/296355586.db2.gz LCCFPTQCBFAKEH-GVDBMIGSSA-N 1 3 302.466 2.702 20 0 DFADHO CCN1CCN(Cc2ccc(NC3CCC([NH3+])CC3)cc2)CC1 ZINC000422920456 296355835 /nfs/dbraw/zinc/35/58/35/296355835.db2.gz MCCZGVCSYHSXKP-UHFFFAOYSA-N 1 3 316.493 2.506 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422926754 296356075 /nfs/dbraw/zinc/35/60/75/296356075.db2.gz DVGSTILNHRGYAK-RYQLBKOJSA-N 1 3 302.462 2.741 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422926764 296356079 /nfs/dbraw/zinc/35/60/79/296356079.db2.gz DYGKVENPNFCOEX-CABCVRRESA-N 1 3 303.450 2.528 20 0 DFADHO CC[C@H](Cc1ccccc1Br)[NH2+][C@H](C)C1CNC1 ZINC000422928199 296356499 /nfs/dbraw/zinc/35/64/99/296356499.db2.gz JLYXNRRATFLWPK-BXUZGUMPSA-N 1 3 311.267 2.968 20 0 DFADHO CC[C@H](Cc1ccccc1Br)N[C@H](C)C1C[NH2+]C1 ZINC000422928199 296356501 /nfs/dbraw/zinc/35/65/01/296356501.db2.gz JLYXNRRATFLWPK-BXUZGUMPSA-N 1 3 311.267 2.968 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422929136 296356632 /nfs/dbraw/zinc/35/66/32/296356632.db2.gz OIXDXBFPLLCSLL-STQMWFEESA-N 1 3 302.340 2.845 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1ccccc1OC(F)(F)F ZINC000422929136 296356633 /nfs/dbraw/zinc/35/66/33/296356633.db2.gz OIXDXBFPLLCSLL-STQMWFEESA-N 1 3 302.340 2.845 20 0 DFADHO [NH3+][C@H]1CCC[C@@H]1NCCc1ccc(F)c(Br)c1 ZINC000422931309 296356770 /nfs/dbraw/zinc/35/67/70/296356770.db2.gz BMAUVIKAEWIBAL-STQMWFEESA-N 1 3 301.203 2.600 20 0 DFADHO CC[C@@H](NCCCc1ccc2c(c1)OCCO2)[C@H]1CCCC[NH2+]1 ZINC000422929638 296356856 /nfs/dbraw/zinc/35/68/56/296356856.db2.gz QVQSGHSTBPSQBE-IAGOWNOFSA-N 1 3 318.461 2.901 20 0 DFADHO COc1cc(OC)cc(OCCC[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000422931896 296357279 /nfs/dbraw/zinc/35/72/79/296357279.db2.gz YJEONKQVPMNHOV-KDOFPFPSSA-N 1 3 322.449 2.580 20 0 DFADHO Cc1cccc(NCCN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000422924108 296356234 /nfs/dbraw/zinc/35/62/34/296356234.db2.gz XQPYIRXIVWSOHT-ZWKOTPCHSA-N 1 3 310.445 2.885 20 0 DFADHO O=C(CCC[NH2+][C@H]1CCCNCC1)Nc1ccc(Cl)cc1 ZINC000422938221 296358161 /nfs/dbraw/zinc/35/81/61/296358161.db2.gz GZESLAPAQXTOGF-AWEZNQCLSA-N 1 3 309.841 2.790 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOc1cccc(Br)c1 ZINC000422943345 296358570 /nfs/dbraw/zinc/35/85/70/296358570.db2.gz LCJPEEMREQYPJI-FZMZJTMJSA-N 1 3 313.239 2.545 20 0 DFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347501857 285060782 /nfs/dbraw/zinc/06/07/82/285060782.db2.gz MUYWVOYFWFDPCK-CQSZACIVSA-N 1 3 315.461 2.530 20 0 DFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347501857 285060784 /nfs/dbraw/zinc/06/07/84/285060784.db2.gz MUYWVOYFWFDPCK-CQSZACIVSA-N 1 3 315.461 2.530 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOc1ccc(Br)cc1 ZINC000422944676 296358967 /nfs/dbraw/zinc/35/89/67/296358967.db2.gz LWIVZPTUBITRHC-RISCZKNCSA-N 1 3 313.239 2.545 20 0 DFADHO C[C@@H](N[C@@H](C)Cc1ccc(F)c(Br)c1)C1C[NH2+]C1 ZINC000422945822 296358991 /nfs/dbraw/zinc/35/89/91/296358991.db2.gz VHHWEVHZVZXAKS-VHSXEESVSA-N 1 3 315.230 2.717 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)c(Br)c1)C1CNC1 ZINC000422945822 296358992 /nfs/dbraw/zinc/35/89/92/296358992.db2.gz VHHWEVHZVZXAKS-VHSXEESVSA-N 1 3 315.230 2.717 20 0 DFADHO CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000422946664 296359213 /nfs/dbraw/zinc/35/92/13/296359213.db2.gz XAEYGXJHOXKWEQ-QZTJIDSGSA-N 1 3 317.477 2.966 20 0 DFADHO C[C@@H](NCCOc1ccc(C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000422949084 296359806 /nfs/dbraw/zinc/35/98/06/296359806.db2.gz SRANRFQYUWVMHB-NEPJUHHUSA-N 1 3 302.340 2.672 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422956962 296360642 /nfs/dbraw/zinc/36/06/42/296360642.db2.gz RSNZYPAAUPDNJY-LSDHHAIUSA-N 1 3 316.474 2.855 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCCCc1nc(-c2ccncc2)cs1 ZINC000422956965 296360572 /nfs/dbraw/zinc/36/05/72/296360572.db2.gz RSPWDLZVGUGDSA-QWHCGFSZSA-N 1 3 304.463 2.853 20 0 DFADHO C[C@H](C[C@H](C)N)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422956965 296360574 /nfs/dbraw/zinc/36/05/74/296360574.db2.gz RSPWDLZVGUGDSA-QWHCGFSZSA-N 1 3 304.463 2.853 20 0 DFADHO C[C@H](NCC1(c2ccccc2Cl)CCOCC1)C1C[NH2+]C1 ZINC000422959988 296361363 /nfs/dbraw/zinc/36/13/63/296361363.db2.gz UXHWDIULDLGRDU-ZDUSSCGKSA-N 1 3 308.853 2.586 20 0 DFADHO C[C@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)C1CNC1 ZINC000422959988 296361364 /nfs/dbraw/zinc/36/13/64/296361364.db2.gz UXHWDIULDLGRDU-ZDUSSCGKSA-N 1 3 308.853 2.586 20 0 DFADHO c1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422963001 296361631 /nfs/dbraw/zinc/36/16/31/296361631.db2.gz DYMZFOOMRASONM-LTFXXXRZSA-N 1 3 300.446 2.679 20 0 DFADHO c1cn2c(n1)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CCC2 ZINC000422963688 296361713 /nfs/dbraw/zinc/36/17/13/296361713.db2.gz GKHZFKZWEXXBFZ-YLFCFFPRSA-N 1 3 302.466 2.661 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCNc1cccc(Br)c1 ZINC000422963297 296361760 /nfs/dbraw/zinc/36/17/60/296361760.db2.gz IEWPKIILLVXMRE-RISCZKNCSA-N 1 3 312.255 2.578 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000422963297 296361762 /nfs/dbraw/zinc/36/17/62/296361762.db2.gz IEWPKIILLVXMRE-RISCZKNCSA-N 1 3 312.255 2.578 20 0 DFADHO CCC(CC)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N)N(C)C ZINC000422962709 296361806 /nfs/dbraw/zinc/36/18/06/296361806.db2.gz GMUXUJFQKSHAKT-SNRMKQJTSA-N 1 3 305.510 2.901 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCCNc1cccc(Br)c1 ZINC000422966689 296361975 /nfs/dbraw/zinc/36/19/75/296361975.db2.gz RSLYDQMYHOBHAQ-QWRGUYRKSA-N 1 3 300.244 2.576 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422965247 296362155 /nfs/dbraw/zinc/36/21/55/296362155.db2.gz OCWMWVVPLRYKES-DFNIBXOVSA-N 1 3 324.472 2.986 20 0 DFADHO CC(C)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N)N1CCCC1 ZINC000422967108 296362765 /nfs/dbraw/zinc/36/27/65/296362765.db2.gz SJQAOPNPHTXEDX-QRQLOZEOSA-N 1 3 303.494 2.655 20 0 DFADHO N[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c2ccccc21 ZINC000422978752 296363584 /nfs/dbraw/zinc/36/35/84/296363584.db2.gz KMFDPSOWBKLBCE-LXGCGDOSSA-N 1 3 321.424 2.806 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOc1cccc(C(C)(C)C)c1 ZINC000422983284 296364033 /nfs/dbraw/zinc/36/40/33/296364033.db2.gz SPAOZKALLBUYTK-WBAXXEDZSA-N 1 3 320.477 2.705 20 0 DFADHO CC(C)(C)C[C@H](CO)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422997386 296365254 /nfs/dbraw/zinc/36/52/54/296365254.db2.gz OAHBSATXWPLFHF-SIXWZSSISA-N 1 3 318.461 2.629 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000422996758 296365329 /nfs/dbraw/zinc/36/53/29/296365329.db2.gz UHVQCMDPLMECBD-CYBMUJFWSA-N 1 3 304.482 2.762 20 0 DFADHO CC(C)N1CCC([NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000422996741 296365351 /nfs/dbraw/zinc/36/53/51/296365351.db2.gz UFUPWSBGGRRKDN-RBUKOAKNSA-N 1 3 301.478 2.942 20 0 DFADHO CCC(CC)[C@H](CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)OC ZINC000423001099 296365768 /nfs/dbraw/zinc/36/57/68/296365768.db2.gz WMSHUIMKLQAWPA-XDNAFOTISA-N 1 3 312.498 2.574 20 0 DFADHO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000423005334 296366316 /nfs/dbraw/zinc/36/63/16/296366316.db2.gz RMPFAMLAMJEQSC-UHOSZYNNSA-N 1 3 303.494 2.655 20 0 DFADHO Cc1cn2c(n1)[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])CCC2 ZINC000423005531 296366423 /nfs/dbraw/zinc/36/64/23/296366423.db2.gz MLMICPHZGXITIJ-SZMVWBNQSA-N 1 3 312.461 2.617 20 0 DFADHO Cc1cn2c(n1)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CCC2 ZINC000423006144 296366582 /nfs/dbraw/zinc/36/65/82/296366582.db2.gz OGAYEJHMJREWMR-XWTMOSNGSA-N 1 3 316.493 2.969 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cnc(C2CC2)nc1 ZINC000423009538 296366908 /nfs/dbraw/zinc/36/69/08/296366908.db2.gz DFANCWDSKYQACM-YOEHRIQHSA-N 1 3 302.466 2.797 20 0 DFADHO C[C@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CC[NH2+]C1 ZINC000423020667 296368358 /nfs/dbraw/zinc/36/83/58/296368358.db2.gz CNKPYQRBVZAKLQ-AVGNSLFASA-N 1 3 311.832 2.645 20 0 DFADHO CC[C@H]([NH2+][C@H]1COc2cc(OC)ccc2C1)[C@@H]1CCCCN1 ZINC000423021363 296369014 /nfs/dbraw/zinc/36/90/14/296369014.db2.gz FBBYWQYJTPWZPH-PVAVHDDUSA-N 1 3 304.434 2.509 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@H]1CCCOc2c(Cl)cccc21 ZINC000423026019 296369162 /nfs/dbraw/zinc/36/91/62/296369162.db2.gz MTDUUXZMODDLET-DOMZBBRYSA-N 1 3 312.841 2.897 20 0 DFADHO COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423025896 296369316 /nfs/dbraw/zinc/36/93/16/296369316.db2.gz PKWKVYHLLRJMAS-BZUAXINKSA-N 1 3 306.450 2.817 20 0 DFADHO COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423020870 296368596 /nfs/dbraw/zinc/36/85/96/296368596.db2.gz DAESMXYVNOIMBQ-PMPSAXMXSA-N 1 3 306.450 2.688 20 0 DFADHO Fc1ccc([C@H]2C[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000423033788 296370192 /nfs/dbraw/zinc/37/01/92/296370192.db2.gz GYBDAXBBFZDBCF-GFHHTVLPSA-N 1 3 304.409 2.918 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H](C)[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000423033509 296370321 /nfs/dbraw/zinc/37/03/21/296370321.db2.gz WZBYTXNAZQUTLR-DLBZAZTESA-N 1 3 316.493 2.627 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423030940 296370041 /nfs/dbraw/zinc/37/00/41/296370041.db2.gz KJHQFBPSQSGLTL-NWDGAFQWSA-N 1 3 306.385 2.524 20 0 DFADHO C[C@H](C[C@H](C)N)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423030940 296370043 /nfs/dbraw/zinc/37/00/43/296370043.db2.gz KJHQFBPSQSGLTL-NWDGAFQWSA-N 1 3 306.385 2.524 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccccc1N1CCCCC1 ZINC000423041994 296371093 /nfs/dbraw/zinc/37/10/93/296371093.db2.gz KCLKCYKIIULZMP-JQHSSLGASA-N 1 3 317.477 2.519 20 0 DFADHO Cn1cc([C@H](NC2CCC([NH3+])CC2)c2ccc(F)cc2)cn1 ZINC000423052297 296372572 /nfs/dbraw/zinc/37/25/72/296372572.db2.gz PMXLQLRTCYKIJC-OFLPRAFFSA-N 1 3 302.397 2.508 20 0 DFADHO Cn1nc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423050627 296372227 /nfs/dbraw/zinc/37/22/27/296372227.db2.gz LORDGWZJBWWEAD-USXIJHARSA-N 1 3 312.461 2.626 20 0 DFADHO Cc1ccccc1C[C@H](CO)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423058458 296373255 /nfs/dbraw/zinc/37/32/55/296373255.db2.gz JNDYMDYURJRFJI-FUMNGEBKSA-N 1 3 316.489 2.799 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423058916 296373283 /nfs/dbraw/zinc/37/32/83/296373283.db2.gz KSDJEXGKJNLULO-IYWMVGAKSA-N 1 3 316.489 2.799 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000423061452 296373508 /nfs/dbraw/zinc/37/35/08/296373508.db2.gz QRTKWRCJVAGRKC-KBXCAEBGSA-N 1 3 321.896 2.805 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423061452 296373509 /nfs/dbraw/zinc/37/35/09/296373509.db2.gz QRTKWRCJVAGRKC-KBXCAEBGSA-N 1 3 321.896 2.805 20 0 DFADHO Cc1cc(C(F)(F)F)ccc1CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423062107 296373533 /nfs/dbraw/zinc/37/35/33/296373533.db2.gz SKYRPFNUUMADKY-BYCMXARLSA-N 1 3 316.367 2.856 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000423057968 296373006 /nfs/dbraw/zinc/37/30/06/296373006.db2.gz BDBRNRHABVZYFL-WBAXXEDZSA-N 1 3 308.441 2.880 20 0 DFADHO Cc1cccc(C[C@H](CO)N[C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000423057605 296373076 /nfs/dbraw/zinc/37/30/76/296373076.db2.gz HMNSTKHHPNTMOW-NZSAHSFTSA-N 1 3 304.478 2.799 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423066777 296374224 /nfs/dbraw/zinc/37/42/24/296374224.db2.gz XVTSTXHPCCICIM-AVGNSLFASA-N 1 3 315.383 3.000 20 0 DFADHO CC[C@H]([NH2+]CCN(CC)CCC(F)(F)F)[C@H]1CCCCN1 ZINC000423070204 296374913 /nfs/dbraw/zinc/37/49/13/296374913.db2.gz FSNROUOBVVNJIX-UONOGXRCSA-N 1 3 309.420 2.771 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000423078768 296375968 /nfs/dbraw/zinc/37/59/68/296375968.db2.gz PGMAHFKCWHWSNH-CQSZACIVSA-N 1 3 304.482 2.621 20 0 DFADHO C[C@@H](NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423080348 296376062 /nfs/dbraw/zinc/37/60/62/296376062.db2.gz ABWXKBHENHXOOD-WPPJOMGTSA-N 1 3 319.415 2.522 20 0 DFADHO [NH3+][C@H]1CCC[C@@H]1NCCc1cccc(OCC(F)(F)F)c1 ZINC000423096606 296378017 /nfs/dbraw/zinc/37/80/17/296378017.db2.gz PPGFRSNWFSCMTL-KBPBESRZSA-N 1 3 302.340 2.640 20 0 DFADHO CC[C@@H](NC1CCN(c2nccs2)CC1)[C@H]1CCCC[NH2+]1 ZINC000423095310 296377487 /nfs/dbraw/zinc/37/74/87/296377487.db2.gz DQNMKLCPLOPAEZ-HUUCEWRRSA-N 1 3 308.495 2.622 20 0 DFADHO C[C@H](NCCc1cccc(OCC(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000423099893 296378298 /nfs/dbraw/zinc/37/82/98/296378298.db2.gz UOHPCSLJFUFJNX-JSGCOSHPSA-N 1 3 316.367 2.758 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121455 399560264 /nfs/dbraw/zinc/56/02/64/399560264.db2.gz WUUGTLMBKWRPKT-LSDHHAIUSA-N 1 3 321.440 2.864 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121455 399560269 /nfs/dbraw/zinc/56/02/69/399560269.db2.gz WUUGTLMBKWRPKT-LSDHHAIUSA-N 1 3 321.440 2.864 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121455 399560272 /nfs/dbraw/zinc/56/02/72/399560272.db2.gz WUUGTLMBKWRPKT-LSDHHAIUSA-N 1 3 321.440 2.864 20 0 DFADHO C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000624122941 399561443 /nfs/dbraw/zinc/56/14/43/399561443.db2.gz BKEQVISOGSGNGC-HOTGVXAUSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000624122941 399561445 /nfs/dbraw/zinc/56/14/45/399561445.db2.gz BKEQVISOGSGNGC-HOTGVXAUSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(-n2ccnn2)c1 ZINC000624122941 399561450 /nfs/dbraw/zinc/56/14/50/399561450.db2.gz BKEQVISOGSGNGC-HOTGVXAUSA-N 1 3 313.449 2.650 20 0 DFADHO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000624123953 399562793 /nfs/dbraw/zinc/56/27/93/399562793.db2.gz UPSNWPZTDSPNIF-IXDOHACOSA-N 1 3 304.482 2.768 20 0 DFADHO C[C@H]([NH2+]CCc1c[nH]c2cccc(Br)c12)C1CNC1 ZINC000423121342 296381139 /nfs/dbraw/zinc/38/11/39/296381139.db2.gz IJUULPMGIXATAM-JTQLQIEISA-N 1 3 322.250 2.670 20 0 DFADHO C[C@H](NCCc1c[nH]c2cccc(Br)c12)C1C[NH2+]C1 ZINC000423121342 296381140 /nfs/dbraw/zinc/38/11/40/296381140.db2.gz IJUULPMGIXATAM-JTQLQIEISA-N 1 3 322.250 2.670 20 0 DFADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423128571 296381795 /nfs/dbraw/zinc/38/17/95/296381795.db2.gz LCFRSDXXZCVPDS-RXABAKJHSA-N 1 3 318.436 2.818 20 0 DFADHO COc1ccc(CCN[C@H](C)C[C@@H](C)[NH3+])c(Cl)c1OC ZINC000423129183 296382023 /nfs/dbraw/zinc/38/20/23/296382023.db2.gz DZNGJLIQVAOXCO-GHMZBOCLSA-N 1 3 300.830 2.615 20 0 DFADHO COc1ccc(CC[NH2+][C@H](C)C[C@@H](C)N)c(Cl)c1OC ZINC000423129183 296382025 /nfs/dbraw/zinc/38/20/25/296382025.db2.gz DZNGJLIQVAOXCO-GHMZBOCLSA-N 1 3 300.830 2.615 20 0 DFADHO c1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423132252 296382593 /nfs/dbraw/zinc/38/25/93/296382593.db2.gz PCHUVSFWZFFHDM-MTQWCTHYSA-N 1 3 314.473 2.927 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423133373 296382811 /nfs/dbraw/zinc/38/28/11/296382811.db2.gz KDQJAOZTPHVPNO-GOEBONIOSA-N 1 3 320.506 2.771 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1cnc(SC2CCCC2)nc1 ZINC000423133373 296382813 /nfs/dbraw/zinc/38/28/13/296382813.db2.gz KDQJAOZTPHVPNO-GOEBONIOSA-N 1 3 320.506 2.771 20 0 DFADHO CC(C)Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000423136789 296383004 /nfs/dbraw/zinc/38/30/04/296383004.db2.gz ZLILBXDAUICZMH-QRVBRYPASA-N 1 3 303.494 2.957 20 0 DFADHO CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2N)N(C)C)cc1 ZINC000423136789 296383007 /nfs/dbraw/zinc/38/30/07/296383007.db2.gz ZLILBXDAUICZMH-QRVBRYPASA-N 1 3 303.494 2.957 20 0 DFADHO C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCCCN1 ZINC000423136327 296383191 /nfs/dbraw/zinc/38/31/91/296383191.db2.gz PBUCJVNGORUWHX-FZMZJTMJSA-N 1 3 301.356 2.763 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](O)Cc1cccc(F)c1 ZINC000423142415 296384185 /nfs/dbraw/zinc/38/41/85/296384185.db2.gz AKIZMVHXDSUQGL-FHLIZLRMSA-N 1 3 308.441 2.630 20 0 DFADHO CCc1cc(CCCN2CCC(C[NH+]3CCCC3)CC2)on1 ZINC000347734047 285151338 /nfs/dbraw/zinc/15/13/38/285151338.db2.gz LLIVTRSXNOUCQA-UHFFFAOYSA-N 1 3 305.466 2.977 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000423146675 296384841 /nfs/dbraw/zinc/38/48/41/296384841.db2.gz PYBPKVBHTHJHRV-JWSRLSBWSA-N 1 3 310.388 2.684 20 0 DFADHO c1ccc2c(c1)SC[C@@H]2CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423147133 296385162 /nfs/dbraw/zinc/38/51/62/296385162.db2.gz RCLBCNPGGMIPEP-RKTXRCNFSA-N 1 3 318.486 2.623 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000423152478 296385335 /nfs/dbraw/zinc/38/53/35/296385335.db2.gz FGFPGYCVHUYJFX-XHDPSFHLSA-N 1 3 300.805 2.836 20 0 DFADHO C[C@@H](NCCOc1ccc(Cl)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000423159683 296386492 /nfs/dbraw/zinc/38/64/92/296386492.db2.gz PSDDCLIYMKIDJR-MNOVXSKESA-N 1 3 303.233 2.960 20 0 DFADHO COc1ccc([C@H](CO)CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000423171508 296387927 /nfs/dbraw/zinc/38/79/27/296387927.db2.gz ORZWKLAPPVXACC-SZMVWBNQSA-N 1 3 320.477 2.672 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000423174026 296388030 /nfs/dbraw/zinc/38/80/30/296388030.db2.gz AZWKKBHKXSRZKD-JCHJZTRSSA-N 1 3 320.452 2.802 20 0 DFADHO Cc1cccc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1F ZINC000294654147 224144822 /nfs/dbraw/zinc/14/48/22/224144822.db2.gz BPNJRMGRBXKZHR-OAHLLOKOSA-N 1 3 308.441 2.659 20 0 DFADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1(N)CCCCC1 ZINC000423181752 296389223 /nfs/dbraw/zinc/38/92/23/296389223.db2.gz PKXJPMMNFHTVMV-FUHWJXTLSA-N 1 3 316.493 2.543 20 0 DFADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000423181752 296389225 /nfs/dbraw/zinc/38/92/25/296389225.db2.gz PKXJPMMNFHTVMV-FUHWJXTLSA-N 1 3 316.493 2.543 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CC2(N)CCCCC2)CN1Cc1ccccc1 ZINC000423183447 296389733 /nfs/dbraw/zinc/38/97/33/296389733.db2.gz RXXXJHTXHWOAGO-AEFFLSMTSA-N 1 3 301.478 2.901 20 0 DFADHO C[C@@H]1C[C@H](NCC2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC000423183447 296389734 /nfs/dbraw/zinc/38/97/34/296389734.db2.gz RXXXJHTXHWOAGO-AEFFLSMTSA-N 1 3 301.478 2.901 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1cc(C)ccc1Br ZINC000423186368 296389762 /nfs/dbraw/zinc/38/97/62/296389762.db2.gz ONHVXRDIRDVMAK-CYBMUJFWSA-N 1 3 315.255 2.601 20 0 DFADHO C[C@H](NCCCN1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000423187192 296390045 /nfs/dbraw/zinc/39/00/45/296390045.db2.gz XJNFHTQAWOWDGD-LBPRGKRZSA-N 1 3 316.276 2.939 20 0 DFADHO Fc1ccc([C@H](C[C@@H]2CCOC2)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000423210597 296392722 /nfs/dbraw/zinc/39/27/22/296392722.db2.gz KBRJHDWLDGAJRB-MPGHIAIKSA-N 1 3 306.425 2.883 20 0 DFADHO C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1Cc1ccccc1 ZINC000423209504 296392766 /nfs/dbraw/zinc/39/27/66/296392766.db2.gz GHYGYJQJNQIVPN-BJYDCXRDSA-N 1 3 313.489 2.912 20 0 DFADHO CCN(C#N)CC[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000602812580 399586477 /nfs/dbraw/zinc/58/64/77/399586477.db2.gz TXVMLZXUKDLKBH-IAGOWNOFSA-N 1 3 314.477 2.536 20 0 DFADHO C[C@H](CCC1CCCCC1)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629406485 399594773 /nfs/dbraw/zinc/59/47/73/399594773.db2.gz WQTMOKNGDOXCGL-PBHICJAKSA-N 1 3 305.470 2.651 20 0 DFADHO CCO[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])[C@@H]1Oc1ccccc1 ZINC000423267629 296398659 /nfs/dbraw/zinc/39/86/59/296398659.db2.gz CZCHYASZAWKCLU-FTWQHDNSSA-N 1 3 318.461 2.719 20 0 DFADHO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423269081 296398771 /nfs/dbraw/zinc/39/87/71/296398771.db2.gz GZYHSZCBHPFQAR-WHOFXGATSA-N 1 3 301.434 2.694 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@H](C)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423278025 296399816 /nfs/dbraw/zinc/39/98/16/296399816.db2.gz QJMDCBGVNJPYHZ-JLJPHGGASA-N 1 3 318.465 2.995 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000423296111 296402029 /nfs/dbraw/zinc/40/20/29/296402029.db2.gz GDNRVFHEWSMVPI-ZIAGYGMSSA-N 1 3 306.454 2.806 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000423309770 296402859 /nfs/dbraw/zinc/40/28/59/296402859.db2.gz QQVPDHVCGLLGPB-KRWDZBQOSA-N 1 3 309.498 2.666 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)NCc2cccc(CN(C)C)c2)cc1 ZINC000423323893 296404329 /nfs/dbraw/zinc/40/43/29/296404329.db2.gz PDEVFGYBISDNCN-AWEZNQCLSA-N 1 3 311.429 2.698 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)c1ccsc1 ZINC000423332791 296405718 /nfs/dbraw/zinc/40/57/18/296405718.db2.gz RDGZLDIUMTYBOK-VNQPRFMTSA-N 1 3 323.506 2.635 20 0 DFADHO Fc1ccc([C@H](C[C@H]2CCCO2)NCC2=CC[NH2+]CC2)cc1 ZINC000423357315 296408145 /nfs/dbraw/zinc/40/81/45/296408145.db2.gz SFISSELZIMPNAN-MSOLQXFVSA-N 1 3 304.409 2.945 20 0 DFADHO COCCOc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000423366139 296408986 /nfs/dbraw/zinc/40/89/86/296408986.db2.gz BOGFTKDMGUJFFJ-CWRNSKLLSA-N 1 3 322.449 2.641 20 0 DFADHO Cc1ccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000423381051 296410541 /nfs/dbraw/zinc/41/05/41/296410541.db2.gz HPVHSMDNZBOTIO-WCQYABFASA-N 1 3 321.412 2.543 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC000625653470 399606056 /nfs/dbraw/zinc/60/60/56/399606056.db2.gz KPBLGWFJEKMRES-IYBDPMFKSA-N 1 3 317.468 2.626 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC000625653470 399606059 /nfs/dbraw/zinc/60/60/59/399606059.db2.gz KPBLGWFJEKMRES-IYBDPMFKSA-N 1 3 317.468 2.626 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)cc1OC ZINC000423394637 296411966 /nfs/dbraw/zinc/41/19/66/296411966.db2.gz MVNABYGWUVANDW-HGTKMLMNSA-N 1 3 306.450 2.783 20 0 DFADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCCC[C@H]2C)cn1C ZINC000347916887 285244018 /nfs/dbraw/zinc/24/40/18/285244018.db2.gz KXKPBHZOQZLLBY-OAHLLOKOSA-N 1 3 321.465 2.556 20 0 DFADHO COC(=O)c1cc(CNCCCC[N@H+]2CCCC[C@H]2C)cn1C ZINC000347916887 285244023 /nfs/dbraw/zinc/24/40/23/285244023.db2.gz KXKPBHZOQZLLBY-OAHLLOKOSA-N 1 3 321.465 2.556 20 0 DFADHO C/C=C/COc1ccc(CC[C@H](C)NC2[C@H]3C[NH2+]C[C@@H]23)cc1 ZINC000423418786 296414928 /nfs/dbraw/zinc/41/49/28/296414928.db2.gz AFLMHCCCZKMBJK-CSZNPGHTSA-N 1 3 300.446 2.770 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000423430355 296416185 /nfs/dbraw/zinc/41/61/85/296416185.db2.gz UHMITFNLTFECFS-MSOLQXFVSA-N 1 3 321.509 2.761 20 0 DFADHO CCC[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)N(C)C ZINC000120383368 195156084 /nfs/dbraw/zinc/15/60/84/195156084.db2.gz HBYHLHZCQWXSRR-SFHVURJKSA-N 1 3 323.525 2.831 20 0 DFADHO O=C1Nc2ccccc2C12CCC([NH2+]CCCNC1CC1)CC2 ZINC000423524223 296425884 /nfs/dbraw/zinc/42/58/84/296425884.db2.gz JAZHOSLFRFRXGM-UHFFFAOYSA-N 1 3 313.445 2.551 20 0 DFADHO C[C@H](CC1CCOCC1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423534221 296427190 /nfs/dbraw/zinc/42/71/90/296427190.db2.gz ZQXNSMVXSICIIE-OCUVBNDUSA-N 1 3 306.494 2.935 20 0 DFADHO COc1ccc([C@H](OC)[C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000271586625 209036663 /nfs/dbraw/zinc/03/66/63/209036663.db2.gz XPCLERFQMXSRSQ-ILXVDBEPSA-N 1 3 306.450 2.844 20 0 DFADHO COc1ccc([C@H](OC)[C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000271586625 209036665 /nfs/dbraw/zinc/03/66/65/209036665.db2.gz XPCLERFQMXSRSQ-ILXVDBEPSA-N 1 3 306.450 2.844 20 0 DFADHO Cc1cnccc1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000294882944 224284316 /nfs/dbraw/zinc/28/43/16/224284316.db2.gz QXDVPGMDNDFNQI-IAGOWNOFSA-N 1 3 317.477 2.711 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000289860411 221275023 /nfs/dbraw/zinc/27/50/23/221275023.db2.gz LCNIASWXWUMKOH-BFYDXBDKSA-N 1 3 317.477 2.620 20 0 DFADHO C[NH2+]CCOCCN[C@@H]1CCSc2ccc(Cl)cc21 ZINC000629528888 399636960 /nfs/dbraw/zinc/63/69/60/399636960.db2.gz MJQIYKDFDGKHKA-CYBMUJFWSA-N 1 3 300.855 2.703 20 0 DFADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000289967556 221348688 /nfs/dbraw/zinc/34/86/88/221348688.db2.gz NERKVTNYCXUGTB-ZWKOTPCHSA-N 1 3 315.461 2.999 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(Br)nc1 ZINC000289974202 221353820 /nfs/dbraw/zinc/35/38/20/221353820.db2.gz XNHLZRBUVQGASI-NEPJUHHUSA-N 1 3 324.266 2.979 20 0 DFADHO C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000294946834 224331435 /nfs/dbraw/zinc/33/14/35/224331435.db2.gz FEHNVBDVAYPTKQ-NJAFHUGGSA-N 1 3 304.503 2.892 20 0 DFADHO CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000629576381 399653411 /nfs/dbraw/zinc/65/34/11/399653411.db2.gz UIMOQFAMMZKVNX-IRXDYDNUSA-N 1 3 318.436 2.915 20 0 DFADHO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000629576381 399653412 /nfs/dbraw/zinc/65/34/12/399653412.db2.gz UIMOQFAMMZKVNX-IRXDYDNUSA-N 1 3 318.436 2.915 20 0 DFADHO O[C@@H](CN[C@H]1C[C@H](c2cccc(Cl)c2)C1)C[NH+]1CCCC1 ZINC000629576683 399653536 /nfs/dbraw/zinc/65/35/36/399653536.db2.gz BRWMQBAOQGAIQX-XIRDDKMYSA-N 1 3 308.853 2.632 20 0 DFADHO c1ccc(SCCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000629590449 399657817 /nfs/dbraw/zinc/65/78/17/399657817.db2.gz AXWNLCLAKCTPCK-KRWDZBQOSA-N 1 3 320.502 2.869 20 0 DFADHO CC(C)(C)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000617347386 399672572 /nfs/dbraw/zinc/67/25/72/399672572.db2.gz LMCLSNPEPIMQJG-JKSUJKDBSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000617347386 399672575 /nfs/dbraw/zinc/67/25/75/399672575.db2.gz LMCLSNPEPIMQJG-JKSUJKDBSA-N 1 3 321.509 2.630 20 0 DFADHO FC(F)(F)C1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000629550583 399645069 /nfs/dbraw/zinc/64/50/69/399645069.db2.gz NXUHKZQFRDHDGL-HZSPNIEDSA-N 1 3 320.399 2.856 20 0 DFADHO CC(C)CC[C@@H]1CC[C@H](NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000629549769 399645938 /nfs/dbraw/zinc/64/59/38/399645938.db2.gz LHAQFLOMLWURJR-VYDXJSESSA-N 1 3 305.470 2.507 20 0 DFADHO CC(C)(CNC[C@H](O)C[NH+]1CCCC1)Cc1cccc(Cl)c1 ZINC000629568982 399652504 /nfs/dbraw/zinc/65/25/04/399652504.db2.gz YNKPRQFEMVRYTB-KRWDZBQOSA-N 1 3 324.896 2.955 20 0 DFADHO CN(CCOCC[NH3+])Cc1ccc(-c2ccc(F)cc2)s1 ZINC000629661585 399679760 /nfs/dbraw/zinc/67/97/60/399679760.db2.gz CWYHPSURIJTAQW-UHFFFAOYSA-N 1 3 308.422 2.961 20 0 DFADHO CN(CCOCC[NH3+])Cc1ccc(-c2cccc(F)c2)s1 ZINC000629662191 399680859 /nfs/dbraw/zinc/68/08/59/399680859.db2.gz GCBNFSQPAVLEIV-UHFFFAOYSA-N 1 3 308.422 2.961 20 0 DFADHO COc1ccc(C[C@H](C)CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1F ZINC000629669891 399684186 /nfs/dbraw/zinc/68/41/86/399684186.db2.gz YVHCFIHYXVDAEG-ZOCIIQOWSA-N 1 3 320.452 2.944 20 0 DFADHO Cc1cc(-c2ccccc2CN2CCN(C)CC2)ccc1C[NH3+] ZINC000629735370 399707434 /nfs/dbraw/zinc/70/74/34/399707434.db2.gz TUGNGZJACKQBRB-UHFFFAOYSA-N 1 3 309.457 2.868 20 0 DFADHO C[C@@H]([NH3+])Cc1ccc(-c2ccccc2CN2CCN(C)CC2)cc1 ZINC000629734919 399707598 /nfs/dbraw/zinc/70/75/98/399707598.db2.gz AJFVTRUETVXYTP-QGZVFWFLSA-N 1 3 323.484 2.991 20 0 DFADHO COCC[C@H](C)[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000088546712 542527427 /nfs/dbraw/zinc/52/74/27/542527427.db2.gz UPEFYFIYWOXLNH-YESZJQIVSA-N 1 3 312.498 2.623 20 0 DFADHO COCC[C@H](C)[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000088546713 542527953 /nfs/dbraw/zinc/52/79/53/542527953.db2.gz UPEFYFIYWOXLNH-ULQDDVLXSA-N 1 3 312.498 2.623 20 0 DFADHO CCCN1CCC([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000088670593 542528961 /nfs/dbraw/zinc/52/89/61/542528961.db2.gz SOIDRABGOANWHZ-FXAWDEMLSA-N 1 3 315.505 2.971 20 0 DFADHO Cc1oc(C(C)C)cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507627 399720030 /nfs/dbraw/zinc/72/00/30/399720030.db2.gz CUZMTXAVULSIHK-AWEZNQCLSA-N 1 3 323.481 2.713 20 0 DFADHO Cc1oc(C(C)C)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507627 399720035 /nfs/dbraw/zinc/72/00/35/399720035.db2.gz CUZMTXAVULSIHK-AWEZNQCLSA-N 1 3 323.481 2.713 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000617504804 399720055 /nfs/dbraw/zinc/72/00/55/399720055.db2.gz KTGMDFQHVYWKMR-ULQDDVLXSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000617504804 399720061 /nfs/dbraw/zinc/72/00/61/399720061.db2.gz KTGMDFQHVYWKMR-ULQDDVLXSA-N 1 3 311.514 2.591 20 0 DFADHO CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507952 399720649 /nfs/dbraw/zinc/72/06/49/399720649.db2.gz PNYCXBKDWLOQRK-GVDBMIGSSA-N 1 3 311.514 2.591 20 0 DFADHO CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507952 399720653 /nfs/dbraw/zinc/72/06/53/399720653.db2.gz PNYCXBKDWLOQRK-GVDBMIGSSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000617505567 399720478 /nfs/dbraw/zinc/72/04/78/399720478.db2.gz IKTHDHZHPURHLI-JQHSSLGASA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000617505567 399720481 /nfs/dbraw/zinc/72/04/81/399720481.db2.gz IKTHDHZHPURHLI-JQHSSLGASA-N 1 3 323.525 2.591 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000423749577 296443301 /nfs/dbraw/zinc/44/33/01/296443301.db2.gz WGGALAITJKWZDK-QAPCUYQASA-N 1 3 319.493 2.716 20 0 DFADHO CCCOc1ccc(C[N@H+](C)C[C@H]2CCN(C)C2)cc1OC ZINC000121023143 195282049 /nfs/dbraw/zinc/28/20/49/195282049.db2.gz KHQXBKRYRLTMNL-INIZCTEOSA-N 1 3 306.450 2.868 20 0 DFADHO CCCOc1ccc(C[N@@H+](C)C[C@H]2CCN(C)C2)cc1OC ZINC000121023143 195282051 /nfs/dbraw/zinc/28/20/51/195282051.db2.gz KHQXBKRYRLTMNL-INIZCTEOSA-N 1 3 306.450 2.868 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000423788462 296447976 /nfs/dbraw/zinc/44/79/76/296447976.db2.gz SHGUNBCBKFXIDQ-SZMVWBNQSA-N 1 3 315.461 2.916 20 0 DFADHO Cc1cnc(CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000348140404 285377540 /nfs/dbraw/zinc/37/75/40/285377540.db2.gz KCGICKLOCVCOBF-MJGOQNOKSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cnc(CCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000348140404 285377545 /nfs/dbraw/zinc/37/75/45/285377545.db2.gz KCGICKLOCVCOBF-MJGOQNOKSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cnc(CCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000348140404 285377551 /nfs/dbraw/zinc/37/75/51/285377551.db2.gz KCGICKLOCVCOBF-MJGOQNOKSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cnc(CC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000348140402 285377615 /nfs/dbraw/zinc/37/76/15/285377615.db2.gz KCGICKLOCVCOBF-HKUYNNGSSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cnc(CCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000348140402 285377620 /nfs/dbraw/zinc/37/76/20/285377620.db2.gz KCGICKLOCVCOBF-HKUYNNGSSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cnc(CCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000348140402 285377623 /nfs/dbraw/zinc/37/76/23/285377623.db2.gz KCGICKLOCVCOBF-HKUYNNGSSA-N 1 3 324.472 2.828 20 0 DFADHO CC[N@H+](CCCc1nc(C)no1)Cc1ccc(CN(C)C)cc1 ZINC000626062808 399741107 /nfs/dbraw/zinc/74/11/07/399741107.db2.gz HJAZXSBOIMOMJI-UHFFFAOYSA-N 1 3 316.449 2.894 20 0 DFADHO CC[N@@H+](CCCc1nc(C)no1)Cc1ccc(CN(C)C)cc1 ZINC000626062808 399741109 /nfs/dbraw/zinc/74/11/09/399741109.db2.gz HJAZXSBOIMOMJI-UHFFFAOYSA-N 1 3 316.449 2.894 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]C1CCN(CC(C)C)CC1)CO2 ZINC000295819173 533272364 /nfs/dbraw/zinc/27/23/64/533272364.db2.gz DGZGZWUPXLQDDH-KRWDZBQOSA-N 1 3 318.461 2.709 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCc2c1cc(F)cc2F ZINC000121528858 542585311 /nfs/dbraw/zinc/58/53/11/542585311.db2.gz DLHFASCDZJPJHB-CXAGYDPISA-N 1 3 312.404 2.899 20 0 DFADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000603432617 399774904 /nfs/dbraw/zinc/77/49/04/399774904.db2.gz JKGLJXASADUORW-STQMWFEESA-N 1 3 318.339 2.679 20 0 DFADHO CN(CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCC1 ZINC000629973369 399776846 /nfs/dbraw/zinc/77/68/46/399776846.db2.gz FHKXHYAVPBJOTQ-UHFFFAOYSA-N 1 3 321.509 2.585 20 0 DFADHO C/C=C/C[C@@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000626162674 399781421 /nfs/dbraw/zinc/78/14/21/399781421.db2.gz XPQXQYBRTHZFJJ-LAQIPUCWSA-N 1 3 321.509 2.654 20 0 DFADHO CCC[NH+]1CCC(NCCc2cn3cccc(C)c3n2)CC1 ZINC000156283093 542700846 /nfs/dbraw/zinc/70/08/46/542700846.db2.gz JHMZNGFOWZPNIQ-UHFFFAOYSA-N 1 3 300.450 2.649 20 0 DFADHO C[C@H](CCNC(=O)c1ccc(CN2CCCCC2)cc1)[NH+](C)C ZINC000617748002 399788025 /nfs/dbraw/zinc/78/80/25/399788025.db2.gz JHLOVVYYCJWTOV-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C1CCOCC1 ZINC000162601323 542738330 /nfs/dbraw/zinc/73/83/30/542738330.db2.gz VHLMFASSEJIVER-HNNXBMFYSA-N 1 3 306.450 2.532 20 0 DFADHO Cc1ccc(CC[NH2+]Cc2ccc(OCCN(C)C)cc2)o1 ZINC000613261245 399833474 /nfs/dbraw/zinc/83/34/74/399833474.db2.gz RKYQNHBLRZVEPZ-UHFFFAOYSA-N 1 3 302.418 2.861 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN(C)C)c1C ZINC000293770347 543021394 /nfs/dbraw/zinc/02/13/94/543021394.db2.gz SPCQCNORGXDVMK-HIFRSBDPSA-N 1 3 305.466 2.808 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NC[C@@H](C)C[NH+](C)C)c1C ZINC000293770347 543021396 /nfs/dbraw/zinc/02/13/96/543021396.db2.gz SPCQCNORGXDVMK-HIFRSBDPSA-N 1 3 305.466 2.808 20 0 DFADHO CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(CC)C1 ZINC000617928287 399837971 /nfs/dbraw/zinc/83/79/71/399837971.db2.gz MVZIYMYNEHGLQH-FUHWJXTLSA-N 1 3 321.509 2.584 20 0 DFADHO CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(CC)C1 ZINC000617928287 399837973 /nfs/dbraw/zinc/83/79/73/399837973.db2.gz MVZIYMYNEHGLQH-FUHWJXTLSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000305126434 543054941 /nfs/dbraw/zinc/05/49/41/543054941.db2.gz LIRKKXHQHPHMKX-OAHLLOKOSA-N 1 3 306.450 2.583 20 0 DFADHO CC1CCC(O)(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000315809325 543072512 /nfs/dbraw/zinc/07/25/12/543072512.db2.gz BXPZUJLIRUCVST-UHFFFAOYSA-N 1 3 303.450 2.581 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc2c1CCNC2 ZINC000322294186 543088681 /nfs/dbraw/zinc/08/86/81/543088681.db2.gz RWPHFLDPMMISHR-HNNXBMFYSA-N 1 3 317.477 2.573 20 0 DFADHO CCCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000328264102 543095636 /nfs/dbraw/zinc/09/56/36/543095636.db2.gz NUVIVHHSGYSDOX-RLLQIKCJSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H]1C[C@H](CCNCc2cncnc2)C[N@@H+]1Cc1ccccc1 ZINC000338195237 543135173 /nfs/dbraw/zinc/13/51/73/543135173.db2.gz MFKCAAFZUMESKZ-AEFFLSMTSA-N 1 3 310.445 2.867 20 0 DFADHO C[C@@H]1C[C@H](CCNCc2cncnc2)C[N@H+]1Cc1ccccc1 ZINC000338195237 543135174 /nfs/dbraw/zinc/13/51/74/543135174.db2.gz MFKCAAFZUMESKZ-AEFFLSMTSA-N 1 3 310.445 2.867 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1cccc(CN(C)C)c1 ZINC000339245207 543142072 /nfs/dbraw/zinc/14/20/72/543142072.db2.gz GYHWIOAJVPZBCO-MRXNPFEDSA-N 1 3 317.477 2.629 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1cccc(CN(C)C)c1 ZINC000339245207 543142073 /nfs/dbraw/zinc/14/20/73/543142073.db2.gz GYHWIOAJVPZBCO-MRXNPFEDSA-N 1 3 317.477 2.629 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000348385281 543184965 /nfs/dbraw/zinc/18/49/65/543184965.db2.gz WAOXBLBNPUPJMZ-CEXWTWQISA-N 1 3 300.446 2.531 20 0 DFADHO COC1(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CCCCC1 ZINC000361544067 292112233 /nfs/dbraw/zinc/11/22/33/292112233.db2.gz RQKUXVVVPOCWID-IXDOHACOSA-N 1 3 310.482 2.519 20 0 DFADHO Cn1cc([C@H](NC2CCC([NH+](C)C)CC2)c2ccccc2)cn1 ZINC000353667306 543237541 /nfs/dbraw/zinc/23/75/41/543237541.db2.gz CFWZEGBURIBITN-CTWPCTMYSA-N 1 3 312.461 2.972 20 0 DFADHO CC(C)[NH+]1CCC(NC[C@](C)(CO)Cc2ccccc2)CC1 ZINC000358054656 543265507 /nfs/dbraw/zinc/26/55/07/543265507.db2.gz LQCZMONEOAJLLS-LJQANCHMSA-N 1 3 304.478 2.690 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCN(C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381802326 543298228 /nfs/dbraw/zinc/29/82/28/543298228.db2.gz UOGITISPMPBAHK-QXAKKESOSA-N 1 3 301.478 2.581 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C(C)(C)N)cc2)C1 ZINC000164837734 145226119 /nfs/dbraw/zinc/22/61/19/145226119.db2.gz YJJNWOCJBSSGCN-GJZGRUSLSA-N 1 3 317.477 2.518 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2(N)CCCCC2)C1 ZINC000165127030 145229360 /nfs/dbraw/zinc/22/93/60/145229360.db2.gz PEYQFFBSZBATLK-HZPDHXFCSA-N 1 3 309.498 2.522 20 0 DFADHO C[C@H](CO[C@@H]1CCOC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000166380320 145234898 /nfs/dbraw/zinc/23/48/98/145234898.db2.gz LFKIERCUDHZWLM-CRAIPNDOSA-N 1 3 310.482 2.567 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414925501 543327867 /nfs/dbraw/zinc/32/78/67/543327867.db2.gz LWAQDAPDQHQXOD-ZLDLUXBVSA-N 1 3 309.841 2.917 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414925501 543327871 /nfs/dbraw/zinc/32/78/71/543327871.db2.gz LWAQDAPDQHQXOD-ZLDLUXBVSA-N 1 3 309.841 2.917 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000631108653 399982148 /nfs/dbraw/zinc/98/21/48/399982148.db2.gz DSAWZBZKPJCKID-CRAIPNDOSA-N 1 3 311.429 2.787 20 0 DFADHO C[C@@H](NCc1ccc(=O)[nH]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000631108653 399982149 /nfs/dbraw/zinc/98/21/49/399982149.db2.gz DSAWZBZKPJCKID-CRAIPNDOSA-N 1 3 311.429 2.787 20 0 DFADHO C[C@@H](NCc1ccc(=O)[nH]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631108653 399982150 /nfs/dbraw/zinc/98/21/50/399982150.db2.gz DSAWZBZKPJCKID-CRAIPNDOSA-N 1 3 311.429 2.787 20 0 DFADHO CC(=O)Nc1cccc(C[NH2+]C2CCN(C3CCC3)CC2)c1 ZINC000631054867 399970601 /nfs/dbraw/zinc/97/06/01/399970601.db2.gz YFMQATDVJVHVJT-UHFFFAOYSA-N 1 3 301.434 2.752 20 0 DFADHO Cc1ccc([C@@H](C)C[NH+]2CCC(N(C)CCCO)CC2)cc1 ZINC000628175309 399996811 /nfs/dbraw/zinc/99/68/11/399996811.db2.gz RYRBBQSEVGXFQL-KRWDZBQOSA-N 1 3 304.478 2.877 20 0 DFADHO Cc1ccc([C@H](C)C[NH+]2CCC(N(C)CCCO)CC2)cc1 ZINC000628175310 399997025 /nfs/dbraw/zinc/99/70/25/399997025.db2.gz RYRBBQSEVGXFQL-QGZVFWFLSA-N 1 3 304.478 2.877 20 0 DFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000628748970 400052322 /nfs/dbraw/zinc/05/23/22/400052322.db2.gz ZKMMGIYIEGNUOA-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@H+]1CCCC[C@@H](CNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000628748970 400052323 /nfs/dbraw/zinc/05/23/23/400052323.db2.gz ZKMMGIYIEGNUOA-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H](CCc1c[nH]c2ccccc12)NC[C@H](O)C[NH+]1CCCC1 ZINC000631572371 400053002 /nfs/dbraw/zinc/05/30/02/400053002.db2.gz QDUHGEKIIUHQON-RDJZCZTQSA-N 1 3 315.461 2.535 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3ncccc32)C[C@@H](C)O1 ZINC000631596971 400056753 /nfs/dbraw/zinc/05/67/53/400056753.db2.gz ORTBXMQCLHMKTC-JFIYKMOQSA-N 1 3 317.477 2.938 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2cccc3c2CCOC3)[C@H]2CCC[C@@H]21 ZINC000631732587 400070959 /nfs/dbraw/zinc/07/09/59/400070959.db2.gz LLLKLUYDZGNJTF-QYZOEREBSA-N 1 3 300.446 2.722 20 0 DFADHO C[N@H+]1CC[C@H](NCc2cccc3c2CCOC3)[C@H]2CCC[C@@H]21 ZINC000631732587 400070960 /nfs/dbraw/zinc/07/09/60/400070960.db2.gz LLLKLUYDZGNJTF-QYZOEREBSA-N 1 3 300.446 2.722 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000631810870 400076955 /nfs/dbraw/zinc/07/69/55/400076955.db2.gz GQGNPCKNDMUMLB-OLMNPRSZSA-N 1 3 306.450 2.581 20 0 DFADHO C[C@H]1CN(Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC000631839377 400078992 /nfs/dbraw/zinc/07/89/92/400078992.db2.gz FRFFGFJNIYDJKX-YJBOKZPZSA-N 1 3 311.429 2.687 20 0 DFADHO C[C@H](NCCOCC[NH+](C)C)c1cccc(Br)c1 ZINC000219316432 146000556 /nfs/dbraw/zinc/00/05/56/146000556.db2.gz OIQYJSVZCCOLGU-LBPRGKRZSA-N 1 3 315.255 2.678 20 0 DFADHO CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000236757195 146025543 /nfs/dbraw/zinc/02/55/43/146025543.db2.gz XWSXFRRQTBGNFJ-HUUCEWRRSA-N 1 3 311.495 2.765 20 0 DFADHO CCN(C(=O)[C@H](C)C[NH2+]C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000237034785 146035065 /nfs/dbraw/zinc/03/50/65/146035065.db2.gz GMNACYPXEQXIOG-SOLBZPMBSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)N1[C@H](C)CC[C@H]1C ZINC000245201346 146063174 /nfs/dbraw/zinc/06/31/74/146063174.db2.gz HOSVSTHAZHXAHR-BZUAXINKSA-N 1 3 317.477 2.626 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000245590639 146085489 /nfs/dbraw/zinc/08/54/89/146085489.db2.gz GGERRKVELQDFOZ-SJLPKXTDSA-N 1 3 310.482 2.521 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246541222 146143466 /nfs/dbraw/zinc/14/34/66/146143466.db2.gz VXSFIYQFNXBELC-YJBOKZPZSA-N 1 3 306.450 2.532 20 0 DFADHO CC[N@H+]1CC[C@H](NCCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246541222 146143468 /nfs/dbraw/zinc/14/34/68/146143468.db2.gz VXSFIYQFNXBELC-YJBOKZPZSA-N 1 3 306.450 2.532 20 0 DFADHO CN(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC000249056516 146183997 /nfs/dbraw/zinc/18/39/97/146183997.db2.gz YRQGTHBVDLXYKV-HQSKLWIPSA-N 1 3 305.441 2.643 20 0 DFADHO CN(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC000249056516 146183998 /nfs/dbraw/zinc/18/39/98/146183998.db2.gz YRQGTHBVDLXYKV-HQSKLWIPSA-N 1 3 305.441 2.643 20 0 DFADHO CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc(F)c1 ZINC000249056516 146183999 /nfs/dbraw/zinc/18/39/99/146183999.db2.gz YRQGTHBVDLXYKV-HQSKLWIPSA-N 1 3 305.441 2.643 20 0 DFADHO c1ccc(CCN2CC[C@@H](C[NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000249050805 146184699 /nfs/dbraw/zinc/18/46/99/146184699.db2.gz XJXYSKAVSGEFJY-RBUKOAKNSA-N 1 3 300.446 2.833 20 0 DFADHO c1ccc(CC[N@@H+]2CC[C@@H](CNC[C@H]3CCC=CO3)C2)cc1 ZINC000249050805 146184702 /nfs/dbraw/zinc/18/47/02/146184702.db2.gz XJXYSKAVSGEFJY-RBUKOAKNSA-N 1 3 300.446 2.833 20 0 DFADHO c1ccc(CC[N@H+]2CC[C@@H](CNC[C@H]3CCC=CO3)C2)cc1 ZINC000249050805 146184708 /nfs/dbraw/zinc/18/47/08/146184708.db2.gz XJXYSKAVSGEFJY-RBUKOAKNSA-N 1 3 300.446 2.833 20 0 DFADHO C(CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)C[NH+]1CCCCC1 ZINC000249348525 146194340 /nfs/dbraw/zinc/19/43/40/146194340.db2.gz KBXLNPIXIHCMAY-PKOBYXMFSA-N 1 3 305.510 2.811 20 0 DFADHO [NH3+]C[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000261607729 146245884 /nfs/dbraw/zinc/24/58/84/146245884.db2.gz AGXJVIFFOSPJLV-MSOLQXFVSA-N 1 3 324.424 2.632 20 0 DFADHO [NH3+][C@@H]1C[C@H](NC2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000261613504 146246953 /nfs/dbraw/zinc/24/69/53/146246953.db2.gz BIZKJAFGXMJRRE-MSOLQXFVSA-N 1 3 308.429 2.785 20 0 DFADHO c1ccc(N2CCC(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000261668895 146256311 /nfs/dbraw/zinc/25/63/11/146256311.db2.gz GZRYCBJSEPRLJN-RCCFBDPRSA-N 1 3 314.477 2.561 20 0 DFADHO c1cc2c(cc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)OCCO2 ZINC000261752555 146270461 /nfs/dbraw/zinc/27/04/61/146270461.db2.gz PCPXVPFBINSVQU-BBWFWOEESA-N 1 3 316.445 2.511 20 0 DFADHO Cc1ncsc1CC[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261788053 146275856 /nfs/dbraw/zinc/27/58/56/146275856.db2.gz PXLCOYYAFIQFIV-CVEARBPZSA-N 1 3 301.459 2.668 20 0 DFADHO Cc1ncsc1CC[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261788053 146275859 /nfs/dbraw/zinc/27/58/59/146275859.db2.gz PXLCOYYAFIQFIV-CVEARBPZSA-N 1 3 301.459 2.668 20 0 DFADHO Cc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261817032 146281626 /nfs/dbraw/zinc/28/16/26/146281626.db2.gz IBDITNVLLNRCGJ-IPELMVKDSA-N 1 3 310.445 2.565 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000261813578 146281770 /nfs/dbraw/zinc/28/17/70/146281770.db2.gz AEAZWKUWRSAYOG-RBSFLKMASA-N 1 3 321.431 2.771 20 0 DFADHO CCCOc1ccc(OCCN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261816880 146281855 /nfs/dbraw/zinc/28/18/55/146281855.db2.gz GZBZZOFBMVFKEQ-IPELMVKDSA-N 1 3 318.461 2.913 20 0 DFADHO Cn1cc(-c2ccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)s2)cn1 ZINC000261825363 146283521 /nfs/dbraw/zinc/28/35/21/146283521.db2.gz IRBOFPDDHKSCKN-VBNZEHGJSA-N 1 3 316.474 2.708 20 0 DFADHO C[C@@H]([NH3+])C1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000262104083 146334484 /nfs/dbraw/zinc/33/44/84/146334484.db2.gz JHXQKAJVJLGANZ-DNVCBOLYSA-N 1 3 318.461 2.804 20 0 DFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC2(C1)CC[NH2+]CC2 ZINC000262141059 146338110 /nfs/dbraw/zinc/33/81/10/146338110.db2.gz ZBROTRHAKGKNEQ-UHFFFAOYSA-N 1 3 304.482 2.830 20 0 DFADHO CCCN(CCOc1ccccc1OCC)C1CC[NH2+]CC1 ZINC000262334155 146352150 /nfs/dbraw/zinc/35/21/50/146352150.db2.gz SVIIDRXDXSJKLG-UHFFFAOYSA-N 1 3 306.450 2.928 20 0 DFADHO CCC[N@H+](CCOc1ccccc1OCC)C1CCNCC1 ZINC000262334155 146352152 /nfs/dbraw/zinc/35/21/52/146352152.db2.gz SVIIDRXDXSJKLG-UHFFFAOYSA-N 1 3 306.450 2.928 20 0 DFADHO CCC[N@@H+](CCOc1ccccc1OCC)C1CCNCC1 ZINC000262334155 146352156 /nfs/dbraw/zinc/35/21/56/146352156.db2.gz SVIIDRXDXSJKLG-UHFFFAOYSA-N 1 3 306.450 2.928 20 0 DFADHO CCC[C@@](C)(N)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000262573685 146374134 /nfs/dbraw/zinc/37/41/34/146374134.db2.gz NOMFDBCGHJDATO-LEOMRAHMSA-N 1 3 309.498 2.663 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)N1CCCCC1 ZINC000354661315 147108520 /nfs/dbraw/zinc/10/85/20/147108520.db2.gz NTXMIMSYLQDTHO-KZNAEPCWSA-N 1 3 323.525 2.876 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)N1CCCCC1 ZINC000354661315 147108522 /nfs/dbraw/zinc/10/85/22/147108522.db2.gz NTXMIMSYLQDTHO-KZNAEPCWSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2scnc2C2CC2)CC1 ZINC000494937363 543416804 /nfs/dbraw/zinc/41/68/04/543416804.db2.gz LRKOLQQOYKYEDV-CYBMUJFWSA-N 1 3 323.506 2.545 20 0 DFADHO Cc1cc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)on1 ZINC000354864549 147182786 /nfs/dbraw/zinc/18/27/86/147182786.db2.gz VENCRQAYOJZPKR-UHFFFAOYSA-N 1 3 300.406 2.726 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355213565 147225180 /nfs/dbraw/zinc/22/51/80/147225180.db2.gz FKGMNOPPAKKVNG-KPFFTGBYSA-N 1 3 313.489 2.581 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355213564 147225554 /nfs/dbraw/zinc/22/55/54/147225554.db2.gz FKGMNOPPAKKVNG-IMFGXOCKSA-N 1 3 313.489 2.581 20 0 DFADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000516673028 543424156 /nfs/dbraw/zinc/42/41/56/543424156.db2.gz IBWXOBVZHAUXEL-OALUTQOASA-N 1 3 302.462 2.948 20 0 DFADHO N[C@@H]1C[C@@H]([NH2+]CCNc2ccc3ccccc3n2)c2ccccc21 ZINC000576744524 543454055 /nfs/dbraw/zinc/45/40/55/543454055.db2.gz PSQBIYXCRVPRCT-IEBWSBKVSA-N 1 3 318.424 3.381 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000357788818 148122592 /nfs/dbraw/zinc/12/25/92/148122592.db2.gz DBNVKSQLODAJSZ-SUMWQHHRSA-N 1 3 317.408 2.953 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000357788818 148122597 /nfs/dbraw/zinc/12/25/97/148122597.db2.gz DBNVKSQLODAJSZ-SUMWQHHRSA-N 1 3 317.408 2.953 20 0 DFADHO COc1cccc(C[C@H](C)[NH2+]CC(C)(C)CN2CCCC2)n1 ZINC000357845080 148146289 /nfs/dbraw/zinc/14/62/89/148146289.db2.gz GLSGWSMZRCFNMB-HNNXBMFYSA-N 1 3 305.466 2.733 20 0 DFADHO COc1cccc(C[C@H](C)NCC(C)(C)C[NH+]2CCCC2)n1 ZINC000357845080 148146293 /nfs/dbraw/zinc/14/62/93/148146293.db2.gz GLSGWSMZRCFNMB-HNNXBMFYSA-N 1 3 305.466 2.733 20 0 DFADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1CCOC1 ZINC000357850361 148149729 /nfs/dbraw/zinc/14/97/29/148149729.db2.gz LMZZHPBVCZOQFP-AEFFLSMTSA-N 1 3 303.450 2.703 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCOC2CCCC2)[C@@H](C)C1 ZINC000358016756 148213480 /nfs/dbraw/zinc/21/34/80/148213480.db2.gz HLDHBOYJRWONFG-WMZOPIPTSA-N 1 3 312.498 2.672 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCOC2CCCC2)[C@@H](C)C1 ZINC000358016756 148213482 /nfs/dbraw/zinc/21/34/82/148213482.db2.gz HLDHBOYJRWONFG-WMZOPIPTSA-N 1 3 312.498 2.672 20 0 DFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000358502022 148380579 /nfs/dbraw/zinc/38/05/79/148380579.db2.gz UQXSWOPLCRIMTQ-AWEZNQCLSA-N 1 3 319.424 2.537 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](CCN2CCN(C3CCCCC3)CC2)C1 ZINC000660010316 543524181 /nfs/dbraw/zinc/52/41/81/543524181.db2.gz JHRQTOTVWRRFNJ-ROUUACIJSA-N 1 3 307.526 2.915 20 0 DFADHO CC[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@H]1CCOC1 ZINC000361176104 149047965 /nfs/dbraw/zinc/04/79/65/149047965.db2.gz UEZVKZYWOPJMPA-PKOBYXMFSA-N 1 3 320.477 2.574 20 0 DFADHO Cc1ccccc1[C@H](C)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361341912 149089954 /nfs/dbraw/zinc/08/99/54/149089954.db2.gz SEHOTYLZYIJFKT-INIZCTEOSA-N 1 3 317.477 2.588 20 0 DFADHO Cc1cccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000361346306 149091722 /nfs/dbraw/zinc/09/17/22/149091722.db2.gz NTCIRSWBSHFDDF-INIZCTEOSA-N 1 3 317.477 2.588 20 0 DFADHO C[C@H]1CCC[C@H](C[NH2+]Cc2ccnc(OCCN(C)C)c2)C1 ZINC000350834632 286094138 /nfs/dbraw/zinc/09/41/38/286094138.db2.gz RLIIAHRJXQPLMD-HOTGVXAUSA-N 1 3 305.466 2.938 20 0 DFADHO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccnc(OCCN(C)C)c2)C1 ZINC000350834631 286094226 /nfs/dbraw/zinc/09/42/26/286094226.db2.gz RLIIAHRJXQPLMD-CVEARBPZSA-N 1 3 305.466 2.938 20 0 DFADHO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccnc(OCCN(C)C)c2)C1 ZINC000350834634 286094236 /nfs/dbraw/zinc/09/42/36/286094236.db2.gz RLIIAHRJXQPLMD-HZPDHXFCSA-N 1 3 305.466 2.938 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(OCC(F)(F)F)c3)C[C@H]12 ZINC000351472250 286128590 /nfs/dbraw/zinc/12/85/90/286128590.db2.gz AHTUXBPBOLYIDR-VHDGCEQUSA-N 1 3 314.351 2.797 20 0 DFADHO Cc1cc(C)n(-c2ccc(CN3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2)n1 ZINC000351479511 286130745 /nfs/dbraw/zinc/13/07/45/286130745.db2.gz RIZIOUGDKFODCM-UHOSZYNNSA-N 1 3 310.445 2.658 20 0 DFADHO Cc1nc(C[C@@H]2CCC[N@@H+](CC[C@H]3CCCCN3C)C2)no1 ZINC000351545333 286149257 /nfs/dbraw/zinc/14/92/57/286149257.db2.gz OWTPDHKGCIYNLX-JKSUJKDBSA-N 1 3 306.454 2.507 20 0 DFADHO Cc1nc(C[C@@H]2CCC[N@H+](CC[C@H]3CCCCN3C)C2)no1 ZINC000351545333 286149260 /nfs/dbraw/zinc/14/92/60/286149260.db2.gz OWTPDHKGCIYNLX-JKSUJKDBSA-N 1 3 306.454 2.507 20 0 DFADHO Cc1nc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCCCN3C)C2)no1 ZINC000351545329 286149320 /nfs/dbraw/zinc/14/93/20/286149320.db2.gz OWTPDHKGCIYNLX-HOTGVXAUSA-N 1 3 306.454 2.507 20 0 DFADHO Cc1nc(C[C@@H]2CCC[N@H+](CC[C@@H]3CCCCN3C)C2)no1 ZINC000351545329 286149323 /nfs/dbraw/zinc/14/93/23/286149323.db2.gz OWTPDHKGCIYNLX-HOTGVXAUSA-N 1 3 306.454 2.507 20 0 DFADHO Cc1ccnc(NC[C@H]2CCN(CCC[NH+]3CCCC3)C2)c1 ZINC000371203550 150002047 /nfs/dbraw/zinc/00/20/47/150002047.db2.gz BFRSPMIIPZLWAE-QGZVFWFLSA-N 1 3 302.466 2.610 20 0 DFADHO Cc1ccnc(NC[C@H]2CC[N@H+](CCCN3CCCC3)C2)c1 ZINC000371203550 150002049 /nfs/dbraw/zinc/00/20/49/150002049.db2.gz BFRSPMIIPZLWAE-QGZVFWFLSA-N 1 3 302.466 2.610 20 0 DFADHO Cc1ccnc(NC[C@H]2CC[N@@H+](CCCN3CCCC3)C2)c1 ZINC000371203550 150002052 /nfs/dbraw/zinc/00/20/52/150002052.db2.gz BFRSPMIIPZLWAE-QGZVFWFLSA-N 1 3 302.466 2.610 20 0 DFADHO C[NH+](C)CC1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000371392330 150037923 /nfs/dbraw/zinc/03/79/23/150037923.db2.gz MPWUNUPSSFVMCO-UHFFFAOYSA-N 1 3 316.424 2.989 20 0 DFADHO CC[N@@H+]1CC[C@H](NCc2ccccc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000371433550 150046561 /nfs/dbraw/zinc/04/65/61/150046561.db2.gz XIBVSJJPJMRHGC-KXBFYZLASA-N 1 3 312.461 2.907 20 0 DFADHO CC[N@H+]1CC[C@H](NCc2ccccc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000371433550 150046563 /nfs/dbraw/zinc/04/65/63/150046563.db2.gz XIBVSJJPJMRHGC-KXBFYZLASA-N 1 3 312.461 2.907 20 0 DFADHO CN1CC=C(C[NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000371498992 150056250 /nfs/dbraw/zinc/05/62/50/150056250.db2.gz AMOZRWIGCWEZQI-UHFFFAOYSA-N 1 3 317.452 2.642 20 0 DFADHO Cc1cc(F)ccc1CN1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000371689812 150081768 /nfs/dbraw/zinc/08/17/68/150081768.db2.gz SIUZKKBMXLUULU-KRWDZBQOSA-N 1 3 319.468 2.594 20 0 DFADHO CCCNC(=[NH2+])NCC1CCN(Cc2ccccc2F)CC1 ZINC000371877991 150107728 /nfs/dbraw/zinc/10/77/28/150107728.db2.gz DEIUETATHWCESK-UHFFFAOYSA-N 1 3 306.429 2.562 20 0 DFADHO O=C(Nc1cccc(CN2CCCCC2)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000372433015 150173116 /nfs/dbraw/zinc/17/31/16/150173116.db2.gz ZNUOQHUQTCTAKR-MJGOQNOKSA-N 1 3 313.445 2.611 20 0 DFADHO Cc1cccc(C[C@@H](CO)[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000372762351 150182370 /nfs/dbraw/zinc/18/23/70/150182370.db2.gz FWYGLCWXXOEQTA-IBGZPJMESA-N 1 3 316.489 2.895 20 0 DFADHO C[N@H+](C[C@H]1CC12CCN(CCC(=O)OC(C)(C)C)CC2)C1CC1 ZINC000372842076 150192144 /nfs/dbraw/zinc/19/21/44/150192144.db2.gz NTWNNQSTRGOOHD-OAHLLOKOSA-N 1 3 322.493 2.915 20 0 DFADHO C[N@@H+](C[C@H]1CC12CCN(CCC(=O)OC(C)(C)C)CC2)C1CC1 ZINC000372842076 150192145 /nfs/dbraw/zinc/19/21/45/150192145.db2.gz NTWNNQSTRGOOHD-OAHLLOKOSA-N 1 3 322.493 2.915 20 0 DFADHO CC[C@@H](C)NC(=[NH2+])NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000374006042 150291280 /nfs/dbraw/zinc/29/12/80/150291280.db2.gz ODZCXUIKYYGASA-QAPCUYQASA-N 1 3 302.466 2.811 20 0 DFADHO Cc1cccc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374259381 150331702 /nfs/dbraw/zinc/33/17/02/150331702.db2.gz OZOXXKGMQSGPGT-KRWDZBQOSA-N 1 3 301.478 2.595 20 0 DFADHO Cc1cccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374259381 150331706 /nfs/dbraw/zinc/33/17/06/150331706.db2.gz OZOXXKGMQSGPGT-KRWDZBQOSA-N 1 3 301.478 2.595 20 0 DFADHO Cc1cccc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000374259381 150331709 /nfs/dbraw/zinc/33/17/09/150331709.db2.gz OZOXXKGMQSGPGT-KRWDZBQOSA-N 1 3 301.478 2.595 20 0 DFADHO C[NH+](C)CCOc1ccccc1N1CCN(CC2CCC2)CC1 ZINC000426998138 296646392 /nfs/dbraw/zinc/64/63/92/296646392.db2.gz OSSUUFRMNNWTGX-UHFFFAOYSA-N 1 3 317.477 2.549 20 0 DFADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@@H](C)N1CCCCCC1 ZINC000351793020 286219511 /nfs/dbraw/zinc/21/95/11/286219511.db2.gz ZTSCLSMYAKWNAT-QGZVFWFLSA-N 1 3 309.498 2.585 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C12CCOCC2 ZINC000186321588 286283610 /nfs/dbraw/zinc/28/36/10/286283610.db2.gz TXBQMSOKKWMWIX-RCCFBDPRSA-N 1 3 324.509 2.671 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNCc2cnn(CC(F)F)c2)C1 ZINC000352132043 286300316 /nfs/dbraw/zinc/30/03/16/286300316.db2.gz YHQORNKWOVVCTH-CQSZACIVSA-N 1 3 314.424 2.750 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cnn(CC(F)F)c2)C1 ZINC000352132043 286300318 /nfs/dbraw/zinc/30/03/18/286300318.db2.gz YHQORNKWOVVCTH-CQSZACIVSA-N 1 3 314.424 2.750 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000352139997 286302182 /nfs/dbraw/zinc/30/21/82/286302182.db2.gz IRXAUKXAZOHSBT-IAGOWNOFSA-N 1 3 305.466 2.572 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000352156352 286307298 /nfs/dbraw/zinc/30/72/98/286307298.db2.gz JIZGCWPWYQQXQQ-CVEARBPZSA-N 1 3 311.514 2.780 20 0 DFADHO CCN1CCC[C@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352273770 286333790 /nfs/dbraw/zinc/33/37/90/286333790.db2.gz QEPLKIZLASEWCD-MRXNPFEDSA-N 1 3 312.461 2.909 20 0 DFADHO CC[N@@H+]1CCC[C@H](CNCc2ccccc2-c2ccnn2C)C1 ZINC000352273770 286333792 /nfs/dbraw/zinc/33/37/92/286333792.db2.gz QEPLKIZLASEWCD-MRXNPFEDSA-N 1 3 312.461 2.909 20 0 DFADHO CC[N@H+]1CCC[C@H](CNCc2ccccc2-c2ccnn2C)C1 ZINC000352273770 286333793 /nfs/dbraw/zinc/33/37/93/286333793.db2.gz QEPLKIZLASEWCD-MRXNPFEDSA-N 1 3 312.461 2.909 20 0 DFADHO [NH3+]CC[C@H]1CCCCN1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000352495172 286388156 /nfs/dbraw/zinc/38/81/56/286388156.db2.gz JERZOFYDIZGIHN-IEBWSBKVSA-N 1 3 318.461 2.948 20 0 DFADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000429339816 296743859 /nfs/dbraw/zinc/74/38/59/296743859.db2.gz RWIVCLUNZGKFSN-IAGOWNOFSA-N 1 3 301.434 2.569 20 0 DFADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(=O)[nH]n1 ZINC000353439214 286645023 /nfs/dbraw/zinc/64/50/23/286645023.db2.gz IFWIYRYNNKXWKM-RBSFLKMASA-N 1 3 306.454 2.591 20 0 DFADHO CN(C)Cc1cccc(C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000185084599 158044526 /nfs/dbraw/zinc/04/45/26/158044526.db2.gz VDUPUWAWXJNOIW-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](C)C1 ZINC000246491534 158094235 /nfs/dbraw/zinc/09/42/35/158094235.db2.gz RZPKWAIMSBLXCG-FUHWJXTLSA-N 1 3 305.466 2.617 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ncccc3Cl)C2)[C@H](C)C1 ZINC000246945527 158106450 /nfs/dbraw/zinc/10/64/50/158106450.db2.gz HDJSGZZQANSSOY-YCPHGPKFSA-N 1 3 322.884 2.634 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ncccc3Cl)C2)[C@H](C)C1 ZINC000246945527 158106453 /nfs/dbraw/zinc/10/64/53/158106453.db2.gz HDJSGZZQANSSOY-YCPHGPKFSA-N 1 3 322.884 2.634 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000247987771 158155206 /nfs/dbraw/zinc/15/52/06/158155206.db2.gz IZTBVOJDZCALAA-SXLOBPIMSA-N 1 3 315.505 2.971 20 0 DFADHO COC(C)(C)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248419414 158175181 /nfs/dbraw/zinc/17/51/81/158175181.db2.gz VBDSXHNZKJDUCY-RCCFBDPRSA-N 1 3 302.462 2.912 20 0 DFADHO COC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CC1 ZINC000248418023 158175339 /nfs/dbraw/zinc/17/53/39/158175339.db2.gz SAEUNOXVGQXAMS-NMLBUPMWSA-N 1 3 314.473 2.912 20 0 DFADHO C[N@H+](CCc1cccnc1)CC1CCN(c2ccncc2)CC1 ZINC000354888148 158240845 /nfs/dbraw/zinc/24/08/45/158240845.db2.gz CSAFUBPWUFOIMW-UHFFFAOYSA-N 1 3 310.445 2.868 20 0 DFADHO C[N@@H+](CCc1cccnc1)CC1CCN(c2ccncc2)CC1 ZINC000354888148 158240846 /nfs/dbraw/zinc/24/08/46/158240846.db2.gz CSAFUBPWUFOIMW-UHFFFAOYSA-N 1 3 310.445 2.868 20 0 DFADHO CC[N@H+](CCC1CC1)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000355034702 158257496 /nfs/dbraw/zinc/25/74/96/158257496.db2.gz FRLYFAOXGUYGIS-SFHVURJKSA-N 1 3 317.477 2.528 20 0 DFADHO CC[N@@H+](CCC1CC1)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000355034702 158257498 /nfs/dbraw/zinc/25/74/98/158257498.db2.gz FRLYFAOXGUYGIS-SFHVURJKSA-N 1 3 317.477 2.528 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cccc2cc[nH]c21 ZINC000355209126 158299174 /nfs/dbraw/zinc/29/91/74/158299174.db2.gz QYXDZCZIMVFRNJ-FGTMMUONSA-N 1 3 313.445 2.851 20 0 DFADHO COc1ccc(CN(CCOCC[NH3+])Cc2ccccc2)cc1 ZINC000357086063 158362492 /nfs/dbraw/zinc/36/24/92/158362492.db2.gz RJRQHOYKNYXIDT-UHFFFAOYSA-N 1 3 314.429 2.673 20 0 DFADHO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC(C[NH3+])CC1 ZINC000430605950 296800063 /nfs/dbraw/zinc/80/00/63/296800063.db2.gz TYHFTKOJXSVKHE-ZDUSSCGKSA-N 1 3 323.868 2.530 20 0 DFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430952096 296814506 /nfs/dbraw/zinc/81/45/06/296814506.db2.gz XTISBFDCEULKHR-YJBOKZPZSA-N 1 3 317.477 2.655 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000354928889 287012714 /nfs/dbraw/zinc/01/27/14/287012714.db2.gz GLBXEKYLVWGJED-YYIAUSFCSA-N 1 3 309.498 2.628 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000354928889 287012715 /nfs/dbraw/zinc/01/27/15/287012715.db2.gz GLBXEKYLVWGJED-YYIAUSFCSA-N 1 3 309.498 2.628 20 0 DFADHO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000360289781 287213832 /nfs/dbraw/zinc/21/38/32/287213832.db2.gz BIUAPEINPNNIIB-RHSMWYFYSA-N 1 3 321.509 2.534 20 0 DFADHO C[C@H]1C[C@@H](N(C)CCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000131783000 196198848 /nfs/dbraw/zinc/19/88/48/196198848.db2.gz SAPYDSBSJNRROV-HKUYNNGSSA-N 1 3 312.461 2.868 20 0 DFADHO C[C@H]1C[C@@H](N(C)CCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000131783000 196198849 /nfs/dbraw/zinc/19/88/49/196198849.db2.gz SAPYDSBSJNRROV-HKUYNNGSSA-N 1 3 312.461 2.868 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)cc1NC(C)=O ZINC000132158311 196231357 /nfs/dbraw/zinc/23/13/57/196231357.db2.gz PJTKGOXXXUMKBR-CYBMUJFWSA-N 1 3 321.465 2.892 20 0 DFADHO CCN1CC[C@@H]([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977476 196301398 /nfs/dbraw/zinc/30/13/98/196301398.db2.gz NZHWDEOMENFHDE-PIKOESSRSA-N 1 3 315.505 2.969 20 0 DFADHO CC[N@@H+]1CC[C@@H](N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977476 196301399 /nfs/dbraw/zinc/30/13/99/196301399.db2.gz NZHWDEOMENFHDE-PIKOESSRSA-N 1 3 315.505 2.969 20 0 DFADHO CC[N@H+]1CC[C@@H](N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977476 196301401 /nfs/dbraw/zinc/30/14/01/196301401.db2.gz NZHWDEOMENFHDE-PIKOESSRSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc(CN)c1 ZINC000667731604 543668280 /nfs/dbraw/zinc/66/82/80/543668280.db2.gz YDGYTXMDERZRHF-ZNMIVQPWSA-N 1 3 318.465 2.633 20 0 DFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc(CN)c1 ZINC000667731604 543668283 /nfs/dbraw/zinc/66/82/83/543668283.db2.gz YDGYTXMDERZRHF-ZNMIVQPWSA-N 1 3 318.465 2.633 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc(CN)c1 ZINC000667731273 543668753 /nfs/dbraw/zinc/66/87/53/543668753.db2.gz OWAYHPGPPJKUAQ-OAHLLOKOSA-N 1 3 318.465 2.921 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cccc(CN)c1 ZINC000667731273 543668756 /nfs/dbraw/zinc/66/87/56/543668756.db2.gz OWAYHPGPPJKUAQ-OAHLLOKOSA-N 1 3 318.465 2.921 20 0 DFADHO C[C@H](CCNC(=O)Nc1cccc(CN)c1)[NH+]1CCCCC1 ZINC000667736554 543670562 /nfs/dbraw/zinc/67/05/62/543670562.db2.gz IFXIJKALQQCBAE-CQSZACIVSA-N 1 3 304.438 2.531 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668172858 543759658 /nfs/dbraw/zinc/75/96/58/543759658.db2.gz VFBGTFINUUTSBP-MNEFBYGVSA-N 1 3 318.461 2.626 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668172858 543759660 /nfs/dbraw/zinc/75/96/60/543759660.db2.gz VFBGTFINUUTSBP-MNEFBYGVSA-N 1 3 318.461 2.626 20 0 DFADHO COC[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000668188417 543762746 /nfs/dbraw/zinc/76/27/46/543762746.db2.gz HQDOUXKRGYYVOP-VQIMIIECSA-N 1 3 318.461 2.628 20 0 DFADHO COC[C@@H](C)Oc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000668188417 543762749 /nfs/dbraw/zinc/76/27/49/543762749.db2.gz HQDOUXKRGYYVOP-VQIMIIECSA-N 1 3 318.461 2.628 20 0 DFADHO COCCC1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000668472099 543811637 /nfs/dbraw/zinc/81/16/37/543811637.db2.gz CRJKWIUCPWEBQO-UHFFFAOYSA-N 1 3 318.461 2.630 20 0 DFADHO C[C@H]1C[C@H](NCC2CCN(c3cc[nH+]cc3)CC2)c2nccn21 ZINC000296670293 226107375 /nfs/dbraw/zinc/10/73/75/226107375.db2.gz FVKVQRBMPCWJLP-YOEHRIQHSA-N 1 3 311.433 2.790 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@H]2OCCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000671752000 544106462 /nfs/dbraw/zinc/10/64/62/544106462.db2.gz KAYDXVMETPQGPE-XWSJACJDSA-N 1 3 300.446 2.763 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@H]2OCCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000671752000 544106465 /nfs/dbraw/zinc/10/64/65/544106465.db2.gz KAYDXVMETPQGPE-XWSJACJDSA-N 1 3 300.446 2.763 20 0 DFADHO c1[nH]c2nccnc2c1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000290964489 222034825 /nfs/dbraw/zinc/03/48/25/222034825.db2.gz WSPIVZDTVVOSKZ-UHFFFAOYSA-N 1 3 321.428 2.712 20 0 DFADHO C[C@@H]([NH2+]Cc1c[nH]c2nccnc12)[C@H]1CCCN(C2CCC2)C1 ZINC000290971421 222039754 /nfs/dbraw/zinc/03/97/54/222039754.db2.gz XKSMJWWKMWFWAS-KGLIPLIRSA-N 1 3 313.449 2.701 20 0 DFADHO COc1cccc([C@@H](C)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000674049781 544216156 /nfs/dbraw/zinc/21/61/56/544216156.db2.gz ZKGIJSZORMWVCG-DNVCBOLYSA-N 1 3 318.461 2.989 20 0 DFADHO C[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(OCCN(C)C)cc1 ZINC000297461270 227196803 /nfs/dbraw/zinc/19/68/03/227196803.db2.gz XVYDDCRVEWRYIW-JKSUJKDBSA-N 1 3 308.466 2.686 20 0 DFADHO CCCc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000675485133 544315344 /nfs/dbraw/zinc/31/53/44/544315344.db2.gz JCIVGNFKMLBFKC-UHFFFAOYSA-N 1 3 304.478 2.964 20 0 DFADHO Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000675876212 544341241 /nfs/dbraw/zinc/34/12/41/544341241.db2.gz WLVPZJTYAGUGOK-CABCVRRESA-N 1 3 307.507 2.876 20 0 DFADHO C[C@H](N[C@H]1CCCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000675884327 544341826 /nfs/dbraw/zinc/34/18/26/544341826.db2.gz SOZYACUASWJGMN-YJBOKZPZSA-N 1 3 315.461 2.502 20 0 DFADHO CCO[C@@H]1CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000676414147 544375687 /nfs/dbraw/zinc/37/56/87/544375687.db2.gz PFDQGNNNTIEXCW-GOSISDBHSA-N 1 3 306.450 2.628 20 0 DFADHO C[C@H](CO)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000678044269 544586868 /nfs/dbraw/zinc/58/68/68/544586868.db2.gz NVABFELHZMEBIU-WDSOQIARSA-N 1 3 302.462 2.601 20 0 DFADHO C[C@H](CO)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000678044269 544586870 /nfs/dbraw/zinc/58/68/70/544586870.db2.gz NVABFELHZMEBIU-WDSOQIARSA-N 1 3 302.462 2.601 20 0 DFADHO CC[C@H](C[NH2+]CCCN1CCCN(C)CC1)c1ccccc1 ZINC000678074325 544594671 /nfs/dbraw/zinc/59/46/71/544594671.db2.gz GAWRSOSENCVIMV-GOSISDBHSA-N 1 3 303.494 2.797 20 0 DFADHO CC(C)[NH2+]C1CCN(Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000678225840 544623868 /nfs/dbraw/zinc/62/38/68/544623868.db2.gz VHKMJQYVWFTDMC-UHFFFAOYSA-N 1 3 319.493 2.589 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCOc4ccccc43)CC[C@H]21 ZINC000678340896 544654955 /nfs/dbraw/zinc/65/49/55/544654955.db2.gz SDHFYAYQJXKSGW-LZLYRXPVSA-N 1 3 300.446 2.969 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCOc4ccccc43)CC[C@H]21 ZINC000678340896 544654957 /nfs/dbraw/zinc/65/49/57/544654957.db2.gz SDHFYAYQJXKSGW-LZLYRXPVSA-N 1 3 300.446 2.969 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCOc4ccccc43)CC[C@H]21 ZINC000678340896 544654960 /nfs/dbraw/zinc/65/49/60/544654960.db2.gz SDHFYAYQJXKSGW-LZLYRXPVSA-N 1 3 300.446 2.969 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCOc4ccccc43)CC[C@H]21 ZINC000678340896 544654963 /nfs/dbraw/zinc/65/49/63/544654963.db2.gz SDHFYAYQJXKSGW-LZLYRXPVSA-N 1 3 300.446 2.969 20 0 DFADHO CC(C)[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccnc1 ZINC000678686350 544710570 /nfs/dbraw/zinc/71/05/70/544710570.db2.gz OXLVAIBYSKMEKS-PKOBYXMFSA-N 1 3 316.493 2.537 20 0 DFADHO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000678765869 544716773 /nfs/dbraw/zinc/71/67/73/544716773.db2.gz HLEOJKAXZKHESS-FXAWDEMLSA-N 1 3 315.505 2.927 20 0 DFADHO CCc1nc2ccccc2n1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000679024735 544770218 /nfs/dbraw/zinc/77/02/18/544770218.db2.gz JHBRDHSETVJWNO-HZPDHXFCSA-N 1 3 312.461 2.815 20 0 DFADHO CCc1nc2ccccc2n1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000679024735 544770221 /nfs/dbraw/zinc/77/02/21/544770221.db2.gz JHBRDHSETVJWNO-HZPDHXFCSA-N 1 3 312.461 2.815 20 0 DFADHO Cc1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(OCCN(C)C)c1 ZINC000679148941 544792650 /nfs/dbraw/zinc/79/26/50/544792650.db2.gz WGFGIRUZRNKDSP-HZPDHXFCSA-N 1 3 305.466 2.830 20 0 DFADHO Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OCCN(C)C)c1 ZINC000679148941 544792653 /nfs/dbraw/zinc/79/26/53/544792653.db2.gz WGFGIRUZRNKDSP-HZPDHXFCSA-N 1 3 305.466 2.830 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000679359347 544841856 /nfs/dbraw/zinc/84/18/56/544841856.db2.gz BQUUDESOYIOEMI-HKUYNNGSSA-N 1 3 320.477 2.610 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000679359347 544841859 /nfs/dbraw/zinc/84/18/59/544841859.db2.gz BQUUDESOYIOEMI-HKUYNNGSSA-N 1 3 320.477 2.610 20 0 DFADHO OCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000679722209 544905378 /nfs/dbraw/zinc/90/53/78/544905378.db2.gz ZBWIKNPQLNXLKG-CEXWTWQISA-N 1 3 314.473 2.649 20 0 DFADHO Cc1[nH+]c2ccccc2c(N2CCN(C(C)(C)CO)CC2)c1C ZINC000680056733 544951379 /nfs/dbraw/zinc/95/13/79/544951379.db2.gz XYBZBZGZXWVQLZ-UHFFFAOYSA-N 1 3 313.445 2.745 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC4CSC4)[C@H]3C2)cc1 ZINC000680334234 544992335 /nfs/dbraw/zinc/99/23/35/544992335.db2.gz KMFBAKVRZGQSCU-SZMVWBNQSA-N 1 3 302.487 2.992 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC4CSC4)[C@H]3C2)cc1 ZINC000680334234 544992339 /nfs/dbraw/zinc/99/23/39/544992339.db2.gz KMFBAKVRZGQSCU-SZMVWBNQSA-N 1 3 302.487 2.992 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C4CSC4)[C@H]3C2)cc1 ZINC000680334234 544992343 /nfs/dbraw/zinc/99/23/43/544992343.db2.gz KMFBAKVRZGQSCU-SZMVWBNQSA-N 1 3 302.487 2.992 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000680148595 544964214 /nfs/dbraw/zinc/96/42/14/544964214.db2.gz FFXSDCGEOJXPLE-MOPGFXCFSA-N 1 3 318.461 2.674 20 0 DFADHO C[C@@H]([NH2+]CCCc1cnn(C)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000680401424 545004749 /nfs/dbraw/zinc/00/47/49/545004749.db2.gz ZCVLUJUAJVNOTC-WBVHZDCISA-N 1 3 304.482 2.595 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(F)ccc2F)C[C@H](C)O1 ZINC000062252860 425899866 /nfs/dbraw/zinc/89/98/66/425899866.db2.gz PUORNFMCLZJNGV-OKILXGFUSA-N 1 3 312.404 2.944 20 0 DFADHO CN(C)Cc1cccc(C(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000155790691 425928086 /nfs/dbraw/zinc/92/80/86/425928086.db2.gz NZXZOWVRVVTCSH-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CN(C)Cc1cccc(C(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000155790691 425928092 /nfs/dbraw/zinc/92/80/92/425928092.db2.gz NZXZOWVRVVTCSH-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@H](CC[NH2+][C@H]1CCN(C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000156209740 425933974 /nfs/dbraw/zinc/93/39/74/425933974.db2.gz SKGLPIVQOKXOMS-LMMKCTJWSA-N 1 3 303.494 2.827 20 0 DFADHO CC(C)c1nc([C@H](C)NC2CCN(CC[NH+](C)C)CC2)cs1 ZINC000186236252 267809812 /nfs/dbraw/zinc/80/98/12/267809812.db2.gz VGROADCMVQCMRE-AWEZNQCLSA-N 1 3 324.538 2.943 20 0 DFADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000037484257 425848159 /nfs/dbraw/zinc/84/81/59/425848159.db2.gz NZEZAOWJMPKXEA-JTQLQIEISA-N 1 3 303.269 2.942 20 0 DFADHO CCN1CC[C@@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000037484291 425848233 /nfs/dbraw/zinc/84/82/33/425848233.db2.gz XDNYKDQSJHCEHO-JTQLQIEISA-N 1 3 303.269 2.942 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)[C@H]3CCCC[C@@H]32)CC1 ZINC000192794057 268047952 /nfs/dbraw/zinc/04/79/52/268047952.db2.gz RMSOVXWODOKRKQ-QRVBRYPASA-N 1 3 307.526 2.913 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)[C@H]3CCCC[C@@H]32)CC1 ZINC000192794057 268047955 /nfs/dbraw/zinc/04/79/55/268047955.db2.gz RMSOVXWODOKRKQ-QRVBRYPASA-N 1 3 307.526 2.913 20 0 DFADHO OC(CN1C[C@@H]2CCCC[C@@H]2C1)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000194613787 268109533 /nfs/dbraw/zinc/10/95/33/268109533.db2.gz KAEOMULSUNOGSK-USTZCAOPSA-N 1 3 306.494 2.591 20 0 DFADHO OC(CN1C[C@@H]2CCCC[C@@H]2C1)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000194613787 268109534 /nfs/dbraw/zinc/10/95/34/268109534.db2.gz KAEOMULSUNOGSK-USTZCAOPSA-N 1 3 306.494 2.591 20 0 DFADHO C[C@@H](CC(N)=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000267258827 268180384 /nfs/dbraw/zinc/18/03/84/268180384.db2.gz PUBRSUCDUCTRME-OAGGEKHMSA-N 1 3 317.477 2.518 20 0 DFADHO CCC[C@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000296361325 268303014 /nfs/dbraw/zinc/30/30/14/268303014.db2.gz RWMWPAPCSGUZTL-SFHVURJKSA-N 1 3 305.466 2.781 20 0 DFADHO CCC[C@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000296361325 268303018 /nfs/dbraw/zinc/30/30/18/268303018.db2.gz RWMWPAPCSGUZTL-SFHVURJKSA-N 1 3 305.466 2.781 20 0 DFADHO CC(C)c1nnc2n1C[C@@H](N[C@H](C)C[C@@H]1CCCCC[NH2+]1)CC2 ZINC000333231028 268384831 /nfs/dbraw/zinc/38/48/31/268384831.db2.gz BZJMITBGEDXERI-PMPSAXMXSA-N 1 3 319.497 2.617 20 0 DFADHO C[C@@H](CCC[NH3+])NCc1cc(Br)cc2c1OCC2 ZINC000336791951 268434957 /nfs/dbraw/zinc/43/49/57/268434957.db2.gz PUVPQSYXYGBHDV-JTQLQIEISA-N 1 3 313.239 2.601 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCN2CCCC2=O)CC1 ZINC000158845604 425948822 /nfs/dbraw/zinc/94/88/22/425948822.db2.gz TUSRGUBGYNFGCP-KRWDZBQOSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCN2CCCC2=O)CC1 ZINC000158845604 425948824 /nfs/dbraw/zinc/94/88/24/425948824.db2.gz TUSRGUBGYNFGCP-KRWDZBQOSA-N 1 3 321.509 2.585 20 0 DFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000125417880 425970775 /nfs/dbraw/zinc/97/07/75/425970775.db2.gz FQAPGUSJBBXVRF-AEFFLSMTSA-N 1 3 321.509 2.725 20 0 DFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000125417880 425970777 /nfs/dbraw/zinc/97/07/77/425970777.db2.gz FQAPGUSJBBXVRF-AEFFLSMTSA-N 1 3 321.509 2.725 20 0 DFADHO c1nc(CCNC2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000108942194 426024630 /nfs/dbraw/zinc/02/46/30/426024630.db2.gz QAYVFBJNUYOUCY-UHFFFAOYSA-N 1 3 315.486 2.982 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C(C)(C)C ZINC000126729264 426034715 /nfs/dbraw/zinc/03/47/15/426034715.db2.gz IKFWUHAPTRGOSN-MRXNPFEDSA-N 1 3 303.494 2.958 20 0 DFADHO CC(C)[NH+](CCCNC(=O)c1ccc(CN(C)C)cc1)C(C)C ZINC000074335704 426046313 /nfs/dbraw/zinc/04/63/13/426046313.db2.gz CQSDUGXHKNQQKB-UHFFFAOYSA-N 1 3 319.493 2.987 20 0 DFADHO C[C@@H]([NH2+]CCCn1cccn1)c1cccc(OCCN(C)C)c1 ZINC000127027494 426047306 /nfs/dbraw/zinc/04/73/06/426047306.db2.gz GUXAUVWGQZSZMR-MRXNPFEDSA-N 1 3 316.449 2.564 20 0 DFADHO CCC[C@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)N(C)C ZINC000161996885 426048122 /nfs/dbraw/zinc/04/81/22/426048122.db2.gz LKVNIRAOYMRLOZ-NVXWUHKLSA-N 1 3 319.493 2.962 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162419964 426064493 /nfs/dbraw/zinc/06/44/93/426064493.db2.gz UWYDRYKFXGDWTN-NUJGCVRESA-N 1 3 316.493 2.890 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CNCc1cc2cc(OC)ccc2o1 ZINC000126483526 426021717 /nfs/dbraw/zinc/02/17/17/426021717.db2.gz QPKFRYIZYUAZHR-MRXNPFEDSA-N 1 3 320.433 2.888 20 0 DFADHO CCc1ccc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128260106 426109951 /nfs/dbraw/zinc/10/99/51/426109951.db2.gz XJMFGWWVYMMZIV-KRWDZBQOSA-N 1 3 303.494 2.927 20 0 DFADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1cc(F)ccc1F ZINC000128262780 426110468 /nfs/dbraw/zinc/11/04/68/426110468.db2.gz HZSGFWLRQWPMGM-AWEZNQCLSA-N 1 3 311.420 2.643 20 0 DFADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1cc(F)ccc1F ZINC000128262780 426110471 /nfs/dbraw/zinc/11/04/71/426110471.db2.gz HZSGFWLRQWPMGM-AWEZNQCLSA-N 1 3 311.420 2.643 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc2c(c1)CCC2 ZINC000128301565 426111455 /nfs/dbraw/zinc/11/14/55/426111455.db2.gz HKAZAMTZXPBVSZ-KRWDZBQOSA-N 1 3 315.505 2.854 20 0 DFADHO CCN1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000076458385 426111856 /nfs/dbraw/zinc/11/18/56/426111856.db2.gz CHNCJTOESAIWKP-GOSISDBHSA-N 1 3 301.478 2.582 20 0 DFADHO Cc1ccccc1C[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128466878 426118697 /nfs/dbraw/zinc/11/86/97/426118697.db2.gz PVCVIODFJLUZRH-SFHVURJKSA-N 1 3 303.494 2.543 20 0 DFADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1ccccc1Cl ZINC000128472219 426119044 /nfs/dbraw/zinc/11/90/44/426119044.db2.gz OBFSIZCQEHKSOW-AWEZNQCLSA-N 1 3 311.857 2.974 20 0 DFADHO CC(C)[NH2+]CCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000165895892 426124320 /nfs/dbraw/zinc/12/43/20/426124320.db2.gz UCXMMVMGINYUCP-GOSISDBHSA-N 1 3 317.477 2.545 20 0 DFADHO COC[C@@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C(C)C ZINC000165898295 426124821 /nfs/dbraw/zinc/12/48/21/426124821.db2.gz MTXVDNRCQGKNMS-CRAIPNDOSA-N 1 3 308.466 2.949 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@]1(CC)CCC[NH2+]1)c1ccccc1 ZINC000128688307 426129292 /nfs/dbraw/zinc/12/92/92/426129292.db2.gz PETJOLUBBVHKNB-HKUYNNGSSA-N 1 3 317.477 2.718 20 0 DFADHO CSCC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171631366 426201041 /nfs/dbraw/zinc/20/10/41/426201041.db2.gz XOBDAZDJSDPMLE-SFHVURJKSA-N 1 3 322.518 2.727 20 0 DFADHO CSCC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171631366 426201043 /nfs/dbraw/zinc/20/10/43/426201043.db2.gz XOBDAZDJSDPMLE-SFHVURJKSA-N 1 3 322.518 2.727 20 0 DFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C2CCCC2)cc1 ZINC000130184801 426150157 /nfs/dbraw/zinc/15/01/57/426150157.db2.gz IRVNQEIEHNRSAF-UHFFFAOYSA-N 1 3 315.461 2.544 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1cccc(F)c1)N(C)C ZINC000133464166 426178594 /nfs/dbraw/zinc/17/85/94/426178594.db2.gz VVEHBQKUZZQMJP-DTDBQYNISA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1cccc(F)c1)N(C)C ZINC000133464166 426178597 /nfs/dbraw/zinc/17/85/97/426178597.db2.gz VVEHBQKUZZQMJP-DTDBQYNISA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000133464166 426178598 /nfs/dbraw/zinc/17/85/98/426178598.db2.gz VVEHBQKUZZQMJP-DTDBQYNISA-N 1 3 307.457 2.747 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173321960 426238457 /nfs/dbraw/zinc/23/84/57/426238457.db2.gz GODFXYNQFSDGLY-KGLIPLIRSA-N 1 3 311.420 2.641 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000119113352 426264266 /nfs/dbraw/zinc/26/42/66/426264266.db2.gz JVPHIVISLZFTGN-UMGGQSCQSA-N 1 3 315.505 2.969 20 0 DFADHO Cc1ccc(C)c([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c1 ZINC000150960511 426269605 /nfs/dbraw/zinc/26/96/05/426269605.db2.gz UHMWOLDOAOZXFE-QGZVFWFLSA-N 1 3 303.494 2.980 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000150993951 426271602 /nfs/dbraw/zinc/27/16/02/426271602.db2.gz CBVHTITWDKYAAL-GOSISDBHSA-N 1 3 321.896 2.943 20 0 DFADHO CC(=O)N1CCC(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000151032143 426272987 /nfs/dbraw/zinc/27/29/87/426272987.db2.gz WKZLCAJNJMXJDN-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000152104561 426327002 /nfs/dbraw/zinc/32/70/02/426327002.db2.gz TUFONLWTNSNCRV-GJYPPUQNSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(Cn2ccnc2)cc1 ZINC000152104561 426327003 /nfs/dbraw/zinc/32/70/03/426327003.db2.gz TUFONLWTNSNCRV-GJYPPUQNSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(Cn2ccnc2)cc1 ZINC000152104561 426327007 /nfs/dbraw/zinc/32/70/07/426327007.db2.gz TUFONLWTNSNCRV-GJYPPUQNSA-N 1 3 312.461 2.750 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](CCN2CCCc3ccccc32)C1 ZINC000090551757 426327989 /nfs/dbraw/zinc/32/79/89/426327989.db2.gz HIHPPMCPCPNZPA-KRWDZBQOSA-N 1 3 301.478 2.713 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](CCN2CCCc3ccccc32)C1 ZINC000090551757 426327990 /nfs/dbraw/zinc/32/79/90/426327990.db2.gz HIHPPMCPCPNZPA-KRWDZBQOSA-N 1 3 301.478 2.713 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000175159214 426283629 /nfs/dbraw/zinc/28/36/29/426283629.db2.gz DGLOUKJZKXPCBF-SJORKVTESA-N 1 3 318.465 2.743 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000176004041 426345102 /nfs/dbraw/zinc/34/51/02/426345102.db2.gz KSRXYVPEWIMOJJ-PBHICJAKSA-N 1 3 318.465 2.552 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000176004041 426345104 /nfs/dbraw/zinc/34/51/04/426345104.db2.gz KSRXYVPEWIMOJJ-PBHICJAKSA-N 1 3 318.465 2.552 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)N2CCCC2)o1 ZINC000154030558 426419926 /nfs/dbraw/zinc/41/99/26/426419926.db2.gz MJRKKOJOPLBJTH-UAGQMJEPSA-N 1 3 305.466 2.655 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)N2CCCC2)o1 ZINC000154030558 426419928 /nfs/dbraw/zinc/41/99/28/426419928.db2.gz MJRKKOJOPLBJTH-UAGQMJEPSA-N 1 3 305.466 2.655 20 0 DFADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C)C[C@@H]2C)N2CCCC2)o1 ZINC000154030558 426419931 /nfs/dbraw/zinc/41/99/31/426419931.db2.gz MJRKKOJOPLBJTH-UAGQMJEPSA-N 1 3 305.466 2.655 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000154478318 426442977 /nfs/dbraw/zinc/44/29/77/426442977.db2.gz PLKCHVKMTQSSSO-PXNSSMCTSA-N 1 3 315.505 2.927 20 0 DFADHO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000341068939 269037842 /nfs/dbraw/zinc/03/78/42/269037842.db2.gz ZDKLSLWNFQGTPO-VQIMIIECSA-N 1 3 304.478 2.992 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177216926 426455542 /nfs/dbraw/zinc/45/55/42/426455542.db2.gz SHXHNFMVYGMDPI-CVEARBPZSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000177488557 426488844 /nfs/dbraw/zinc/48/88/44/426488844.db2.gz ANEAPTVAYOFASP-SCTDSRPQSA-N 1 3 324.509 2.767 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272395609 426516302 /nfs/dbraw/zinc/51/63/02/426516302.db2.gz DGPPHVKTBMFAJU-UYAOXDASSA-N 1 3 315.505 2.973 20 0 DFADHO Cc1nc(CC[NH2+]C2CCN(c3ccncc3)CC2)cs1 ZINC000226323878 426620838 /nfs/dbraw/zinc/62/08/38/426620838.db2.gz NLTNDSOFQJGBAT-UHFFFAOYSA-N 1 3 302.447 2.648 20 0 DFADHO COCC[NH+]1CCC(N[C@@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000289238936 426610536 /nfs/dbraw/zinc/61/05/36/426610536.db2.gz MRIQPHCTRJQKEG-MRXNPFEDSA-N 1 3 322.424 2.522 20 0 DFADHO COCC[NH+]1CCC(N[C@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000289238935 426611144 /nfs/dbraw/zinc/61/11/44/426611144.db2.gz MRIQPHCTRJQKEG-INIZCTEOSA-N 1 3 322.424 2.522 20 0 DFADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1cnn(C)c1 ZINC000272562502 426558563 /nfs/dbraw/zinc/55/85/63/426558563.db2.gz NXDIRDIXOXFNFD-SMMRIJLZSA-N 1 3 324.472 2.981 20 0 DFADHO CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000272574354 426562865 /nfs/dbraw/zinc/56/28/65/426562865.db2.gz PNAPAPPLOAJKHT-INDMIFKZSA-N 1 3 302.462 2.504 20 0 DFADHO CC(C)[NH2+]C1CCN(CCN(C)Cc2ccc(F)cc2)CC1 ZINC000187237902 426641706 /nfs/dbraw/zinc/64/17/06/426641706.db2.gz NCKROBOADLPMAB-UHFFFAOYSA-N 1 3 307.457 2.720 20 0 DFADHO CCN(CC(=O)Nc1c(C)cccc1C)CC1CC[NH2+]CC1 ZINC000237008290 426686707 /nfs/dbraw/zinc/68/67/07/426686707.db2.gz VHODDHIHYNEFEB-UHFFFAOYSA-N 1 3 303.450 2.563 20 0 DFADHO CN(CCC(=O)Nc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231670230 426652242 /nfs/dbraw/zinc/65/22/42/426652242.db2.gz FCALOSRFFZKDQI-CYBMUJFWSA-N 1 3 309.841 2.743 20 0 DFADHO Cc1cc(F)ccc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000289419620 426652606 /nfs/dbraw/zinc/65/26/06/426652606.db2.gz IXFWVFIJWPEJJH-UHFFFAOYSA-N 1 3 319.468 2.594 20 0 DFADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000289486877 426668588 /nfs/dbraw/zinc/66/85/88/426668588.db2.gz YOHSEAMOXSNWAF-JLSDUUJJSA-N 1 3 323.431 2.784 20 0 DFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1(N)CCCCC1 ZINC000236654253 426671735 /nfs/dbraw/zinc/67/17/35/426671735.db2.gz GITMBUDDBGMPGK-UHFFFAOYSA-N 1 3 317.477 2.805 20 0 DFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1(N)CCCCC1 ZINC000236654253 426671740 /nfs/dbraw/zinc/67/17/40/426671740.db2.gz GITMBUDDBGMPGK-UHFFFAOYSA-N 1 3 317.477 2.805 20 0 DFADHO CC1CC[NH+](CCCCNC(=O)C[C@H](N)c2ccccc2)CC1 ZINC000236696593 426677600 /nfs/dbraw/zinc/67/76/00/426677600.db2.gz AIJRSAYGJGUWPO-SFHVURJKSA-N 1 3 317.477 2.705 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000178410804 426624647 /nfs/dbraw/zinc/62/46/47/426624647.db2.gz YZHUGKKNUDCABR-QVKFZJNVSA-N 1 3 308.491 2.951 20 0 DFADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000237439290 426690822 /nfs/dbraw/zinc/69/08/22/426690822.db2.gz SYCSQSIQBXWUIU-DJIMGWMZSA-N 1 3 317.477 2.529 20 0 DFADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000237439290 426690827 /nfs/dbraw/zinc/69/08/27/426690827.db2.gz SYCSQSIQBXWUIU-DJIMGWMZSA-N 1 3 317.477 2.529 20 0 DFADHO CN1CCC[C@H](CNC(=O)C2([NH3+])CCCC2)[C@@H]1c1cccs1 ZINC000237123235 426689200 /nfs/dbraw/zinc/68/92/00/426689200.db2.gz APHFMKODIRFGNK-UKRRQHHQSA-N 1 3 321.490 2.519 20 0 DFADHO O[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000187884265 426703597 /nfs/dbraw/zinc/70/35/97/426703597.db2.gz WOBKMHWOVIVDIS-SLHNCBLASA-N 1 3 314.473 2.790 20 0 DFADHO COC[C@H](NCCC[NH+](C(C)C)C(C)C)C1CCOCC1 ZINC000188100146 426721351 /nfs/dbraw/zinc/72/13/51/426721351.db2.gz NHAIXTOHWBFSQJ-KRWDZBQOSA-N 1 3 300.487 2.527 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000281815790 426771139 /nfs/dbraw/zinc/77/11/39/426771139.db2.gz ZFZYSMBZQBCTAN-RHSMWYFYSA-N 1 3 324.440 2.768 20 0 DFADHO CCC[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccccn1 ZINC000245776438 426772349 /nfs/dbraw/zinc/77/23/49/426772349.db2.gz ADXMFXVSVAMXLU-DLBZAZTESA-N 1 3 305.466 2.749 20 0 DFADHO CCC[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccccn1 ZINC000245776438 426772355 /nfs/dbraw/zinc/77/23/55/426772355.db2.gz ADXMFXVSVAMXLU-DLBZAZTESA-N 1 3 305.466 2.749 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000188809270 426790036 /nfs/dbraw/zinc/79/00/36/426790036.db2.gz RRXDODXMXCMHHQ-AWEZNQCLSA-N 1 3 310.404 2.744 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000188809270 426790039 /nfs/dbraw/zinc/79/00/39/426790039.db2.gz RRXDODXMXCMHHQ-AWEZNQCLSA-N 1 3 310.404 2.744 20 0 DFADHO Cn1cnc2cc(C[N@@H+]3CC[C@H](C4CCN(C)CC4)C3)ccc21 ZINC000290530990 426784451 /nfs/dbraw/zinc/78/44/51/426784451.db2.gz QRYNTBJRLPKEIA-KRWDZBQOSA-N 1 3 312.461 2.737 20 0 DFADHO Cn1cnc2cc(C[N@H+]3CC[C@H](C4CCN(C)CC4)C3)ccc21 ZINC000290530990 426784457 /nfs/dbraw/zinc/78/44/57/426784457.db2.gz QRYNTBJRLPKEIA-KRWDZBQOSA-N 1 3 312.461 2.737 20 0 DFADHO Cc1cccc2c1ncc(C)c2N1CCC([N@H+](C)CCO)CC1 ZINC000274188303 426723878 /nfs/dbraw/zinc/72/38/78/426723878.db2.gz QIEAWRDQWISQNE-UHFFFAOYSA-N 1 3 313.445 2.745 20 0 DFADHO Cc1cccc2c1ncc(C)c2N1CCC([N@@H+](C)CCO)CC1 ZINC000274188303 426723880 /nfs/dbraw/zinc/72/38/80/426723880.db2.gz QIEAWRDQWISQNE-UHFFFAOYSA-N 1 3 313.445 2.745 20 0 DFADHO CCN1CCN(c2ccccc2N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000245563358 426752696 /nfs/dbraw/zinc/75/26/96/426752696.db2.gz MQAYSUHLVBBMDU-DLBZAZTESA-N 1 3 316.493 2.723 20 0 DFADHO CCN1CCN(c2ccccc2N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000245563358 426752699 /nfs/dbraw/zinc/75/26/99/426752699.db2.gz MQAYSUHLVBBMDU-DLBZAZTESA-N 1 3 316.493 2.723 20 0 DFADHO C[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000266933947 426798715 /nfs/dbraw/zinc/79/87/15/426798715.db2.gz NNPVIROSGFIBLZ-RBSFLKMASA-N 1 3 303.450 2.948 20 0 DFADHO CN1CCC([C@H]2CC[N@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000290601173 426802739 /nfs/dbraw/zinc/80/27/39/426802739.db2.gz VYYOJMLXNYTDBR-SFHVURJKSA-N 1 3 300.446 2.785 20 0 DFADHO CN1CCC([C@H]2CC[N@@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000290601173 426802743 /nfs/dbraw/zinc/80/27/43/426802743.db2.gz VYYOJMLXNYTDBR-SFHVURJKSA-N 1 3 300.446 2.785 20 0 DFADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000246281751 426815961 /nfs/dbraw/zinc/81/59/61/426815961.db2.gz MPJJFOHGHCTSPS-TWMKSMIVSA-N 1 3 321.509 2.534 20 0 DFADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000290679905 426817874 /nfs/dbraw/zinc/81/78/74/426817874.db2.gz HRXFRWYECGELJL-MVJTYMMSSA-N 1 3 317.477 2.524 20 0 DFADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000290679905 426817877 /nfs/dbraw/zinc/81/78/77/426817877.db2.gz HRXFRWYECGELJL-MVJTYMMSSA-N 1 3 317.477 2.524 20 0 DFADHO CC(C)(O)CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000274759829 426831426 /nfs/dbraw/zinc/83/14/26/426831426.db2.gz DFYIYGGFXMCYEK-RCCFBDPRSA-N 1 3 302.462 2.648 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1(C)C ZINC000282141649 426837332 /nfs/dbraw/zinc/83/73/32/426837332.db2.gz CCCMWIWUFJMWMQ-MOPGFXCFSA-N 1 3 315.505 2.938 20 0 DFADHO Cc1ccccc1C[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282210468 426854602 /nfs/dbraw/zinc/85/46/02/426854602.db2.gz DHKYXWHKLVHHJN-KRWDZBQOSA-N 1 3 303.494 2.542 20 0 DFADHO CCn1nc(CN(C)CC2CC[NH+](C)CC2)c2ccccc21 ZINC000274550650 426791176 /nfs/dbraw/zinc/79/11/76/426791176.db2.gz IMUZDGYHRMAOJP-UHFFFAOYSA-N 1 3 300.450 2.830 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000188809253 426791236 /nfs/dbraw/zinc/79/12/36/426791236.db2.gz RRXDODXMXCMHHQ-CQSZACIVSA-N 1 3 310.404 2.744 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000188809253 426791238 /nfs/dbraw/zinc/79/12/38/426791238.db2.gz RRXDODXMXCMHHQ-CQSZACIVSA-N 1 3 310.404 2.744 20 0 DFADHO C[C@H](CCc1cccc(F)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282277079 426870132 /nfs/dbraw/zinc/87/01/32/426870132.db2.gz KUVQSXOVFDPCHR-MRXNPFEDSA-N 1 3 321.484 2.762 20 0 DFADHO C[C@@H]1C[C@H](NCc2ccc(OCCC[NH+](C)C)cc2)[C@@H](C)O1 ZINC000295243585 426876082 /nfs/dbraw/zinc/87/60/82/426876082.db2.gz SXNOBZJZDISRQT-RKVPGOIHSA-N 1 3 306.450 2.673 20 0 DFADHO C[C@@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000246905481 426877809 /nfs/dbraw/zinc/87/78/09/426877809.db2.gz FPNMRPBZGPCWFT-PNBKFKSVSA-N 1 3 321.534 2.813 20 0 DFADHO C[C@@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000246905481 426877818 /nfs/dbraw/zinc/87/78/18/426877818.db2.gz FPNMRPBZGPCWFT-PNBKFKSVSA-N 1 3 321.534 2.813 20 0 DFADHO C[C@@H]([NH2+]CC1(N(C)C)CCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000275626340 426883371 /nfs/dbraw/zinc/88/33/71/426883371.db2.gz AMDSKGAELZNUAF-IEBWSBKVSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2sccc2C1 ZINC000247000252 426888933 /nfs/dbraw/zinc/88/89/33/426888933.db2.gz LNBXDCRPFTYRJH-YCPHGPKFSA-N 1 3 307.507 2.567 20 0 DFADHO C[C@@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2sccc2C1 ZINC000247000252 426888938 /nfs/dbraw/zinc/88/89/38/426888938.db2.gz LNBXDCRPFTYRJH-YCPHGPKFSA-N 1 3 307.507 2.567 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CC2 ZINC000282415087 426907156 /nfs/dbraw/zinc/90/71/56/426907156.db2.gz SIEFTEPXXFIQCR-SFHVURJKSA-N 1 3 301.478 2.598 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)CN1Cc1ccccc1 ZINC000247139824 426907384 /nfs/dbraw/zinc/90/73/84/426907384.db2.gz QTIYVGYNRMSCCF-GNVJSZRZSA-N 1 3 315.505 2.968 20 0 DFADHO CC(C)(C)OC1CC(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000305866834 426912932 /nfs/dbraw/zinc/91/29/32/426912932.db2.gz ZVYGECHYPIKLLM-OPQOLIRYSA-N 1 3 324.509 2.690 20 0 DFADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000314587246 426929948 /nfs/dbraw/zinc/92/99/48/426929948.db2.gz DTAUIBKZRRIWLM-MCIONIFRSA-N 1 3 308.388 2.950 20 0 DFADHO O[C@H](CN1CCC(CCC[NH+]2CCCC2)CC1)CC(F)(F)F ZINC000189743519 426939816 /nfs/dbraw/zinc/93/98/16/426939816.db2.gz ZQCMFVUAHCWLPU-HNNXBMFYSA-N 1 3 322.415 2.888 20 0 DFADHO COc1ccccc1[C@@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000283424564 427013909 /nfs/dbraw/zinc/01/39/09/427013909.db2.gz WMFKUNUYSCJLCV-QGZVFWFLSA-N 1 3 319.493 2.762 20 0 DFADHO CC(C)N1CCN(CCC[NH2+]C2(c3cccc(F)c3)CC2)CC1 ZINC000283434300 427014473 /nfs/dbraw/zinc/01/44/73/427014473.db2.gz XGFRDIILRBMNBY-UHFFFAOYSA-N 1 3 319.468 2.821 20 0 DFADHO CC[C@@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)N(CC)CC ZINC000276246956 427016744 /nfs/dbraw/zinc/01/67/44/427016744.db2.gz MVAFYABXHPNZPH-SFHVURJKSA-N 1 3 319.493 2.527 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C(C2CC2)C2CC2)C1 ZINC000182269627 427044801 /nfs/dbraw/zinc/04/48/01/427044801.db2.gz FOVDXDFSMGYFQB-SFHVURJKSA-N 1 3 300.446 2.531 20 0 DFADHO COCC[NH+]1CCC(N[C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296075514 427067390 /nfs/dbraw/zinc/06/73/90/427067390.db2.gz SIEJDPHBUAXGKR-OAHLLOKOSA-N 1 3 323.868 2.813 20 0 DFADHO C[C@@H](C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@H](C)[NH3+] ZINC000248988382 427072382 /nfs/dbraw/zinc/07/23/82/427072382.db2.gz GTKIMNUQJQSVSP-QLFBSQMISA-N 1 3 323.506 2.621 20 0 DFADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CCO1 ZINC000283825789 427084724 /nfs/dbraw/zinc/08/47/24/427084724.db2.gz DNBISZAPVQIZKK-DOTOQJQBSA-N 1 3 318.461 2.817 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@H]2CC[C@H]2C2CCC2)ccn1 ZINC000338004366 427087828 /nfs/dbraw/zinc/08/78/28/427087828.db2.gz YTWMWLYTNFLXGC-IRXDYDNUSA-N 1 3 303.450 2.690 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(N)CCC2)cc1 ZINC000296169095 427097199 /nfs/dbraw/zinc/09/71/99/427097199.db2.gz XCHWXPLTLIILAL-CQSZACIVSA-N 1 3 301.434 2.881 20 0 DFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(N)CCC2)cc1 ZINC000296169095 427097203 /nfs/dbraw/zinc/09/72/03/427097203.db2.gz XCHWXPLTLIILAL-CQSZACIVSA-N 1 3 301.434 2.881 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000249378405 427108530 /nfs/dbraw/zinc/10/85/30/427108530.db2.gz NTMWTVNGMUTSCV-KGLIPLIRSA-N 1 3 322.449 2.705 20 0 DFADHO c1ccc(CN2CCC([NH2+][C@H]3CCN4CCCC[C@H]34)CC2)cc1 ZINC000268767800 427108472 /nfs/dbraw/zinc/10/84/72/427108472.db2.gz KGFDHEAQMWXIPI-VQTJNVASSA-N 1 3 313.489 2.867 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000268776375 427111835 /nfs/dbraw/zinc/11/18/35/427111835.db2.gz RPPBUSGCHFOSFG-MDZRGWNJSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccccc1Cn1ccnc1 ZINC000268776375 427111844 /nfs/dbraw/zinc/11/18/44/427111844.db2.gz RPPBUSGCHFOSFG-MDZRGWNJSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccccc1Cn1ccnc1 ZINC000268776375 427111852 /nfs/dbraw/zinc/11/18/52/427111852.db2.gz RPPBUSGCHFOSFG-MDZRGWNJSA-N 1 3 312.461 2.750 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000268806944 427122413 /nfs/dbraw/zinc/12/24/13/427122413.db2.gz JJORCPZLSBTCII-IBGZPJMESA-N 1 3 319.468 2.820 20 0 DFADHO COc1ccsc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000268813357 427125583 /nfs/dbraw/zinc/12/55/83/427125583.db2.gz UTQLWLBHRAZWEW-ZIAGYGMSSA-N 1 3 312.479 2.736 20 0 DFADHO CC[C@H](C)[C@@H](C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000268830873 427131716 /nfs/dbraw/zinc/13/17/16/427131716.db2.gz SFGVTMMHBBKXNL-DLBZAZTESA-N 1 3 304.482 2.618 20 0 DFADHO C[C@H](CCCO)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000296327535 427149249 /nfs/dbraw/zinc/14/92/49/427149249.db2.gz HCPSQJNIKMLDAH-CVEARBPZSA-N 1 3 308.466 2.686 20 0 DFADHO CN(C)CCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000166406897 271096210 /nfs/dbraw/zinc/09/62/10/271096210.db2.gz LPSCBWWCBYHZQH-ALOPSCKCSA-N 1 3 315.461 2.502 20 0 DFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC[NH2+]C(C)(C)C ZINC000174236423 271134114 /nfs/dbraw/zinc/13/41/14/271134114.db2.gz RQNBKJJOVPIUIN-UHFFFAOYSA-N 1 3 317.433 2.612 20 0 DFADHO COC[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C(C)C ZINC000284311323 427176560 /nfs/dbraw/zinc/17/65/60/427176560.db2.gz JMFSHWVQQWBKFT-LJQANCHMSA-N 1 3 320.477 2.920 20 0 DFADHO CN1CC[C@H](NCCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000284318902 427181054 /nfs/dbraw/zinc/18/10/54/427181054.db2.gz POQDRDGQBQGDQR-RBUKOAKNSA-N 1 3 301.478 2.897 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1cccc(OCCN(C)C)c1 ZINC000296486224 427198261 /nfs/dbraw/zinc/19/82/61/427198261.db2.gz OLEWEPMVOPLLOD-LSDHHAIUSA-N 1 3 308.466 2.827 20 0 DFADHO C[C@H](O)[C@](C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000253351278 427199690 /nfs/dbraw/zinc/19/96/90/427199690.db2.gz IYRIMFFUHZMMKF-RNQOJCNYSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@H](O)[C@](C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000253351278 427199696 /nfs/dbraw/zinc/19/96/96/427199696.db2.gz IYRIMFFUHZMMKF-RNQOJCNYSA-N 1 3 316.489 2.833 20 0 DFADHO Cc1nc2ccccc2nc1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292916571 427203602 /nfs/dbraw/zinc/20/36/02/427203602.db2.gz HXNWUTYEXBGAPC-IBGZPJMESA-N 1 3 310.445 2.856 20 0 DFADHO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292916571 427203605 /nfs/dbraw/zinc/20/36/05/427203605.db2.gz HXNWUTYEXBGAPC-IBGZPJMESA-N 1 3 310.445 2.856 20 0 DFADHO COCCC[NH2+][C@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183125234 427203760 /nfs/dbraw/zinc/20/37/60/427203760.db2.gz MGILUHUJROSGMX-QYZOEREBSA-N 1 3 302.462 2.913 20 0 DFADHO C[C@H](CC[NH2+]C1CCN(CC(F)(F)F)CC1)N1CCCCC1 ZINC000183226696 427226818 /nfs/dbraw/zinc/22/68/18/427226818.db2.gz KWJWZHKZCZIMFD-CQSZACIVSA-N 1 3 321.431 2.867 20 0 DFADHO CC1=CC[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CC1 ZINC000285423673 427227537 /nfs/dbraw/zinc/22/75/37/427227537.db2.gz YHHVKGYZLBYCRP-RTBURBONSA-N 1 3 300.446 2.842 20 0 DFADHO Cc1ccncc1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000269602686 427228875 /nfs/dbraw/zinc/22/88/75/427228875.db2.gz WLCSJDZLZVTROQ-IAGOWNOFSA-N 1 3 317.477 2.711 20 0 DFADHO CC[NH+](CC)CCOc1ccccc1CNCC1(C)COC1 ZINC000285504763 427252352 /nfs/dbraw/zinc/25/23/52/427252352.db2.gz QJFHJIHNGYMLLY-UHFFFAOYSA-N 1 3 306.450 2.533 20 0 DFADHO C[C@@H]1C[N@H+](CCCNCc2cccc3cc[nH]c32)CCCO1 ZINC000277646328 427271359 /nfs/dbraw/zinc/27/13/59/427271359.db2.gz DGSJYUWZZQHFRH-OAHLLOKOSA-N 1 3 301.434 2.758 20 0 DFADHO C[C@@H]1C[N@@H+](CCCNCc2cccc3cc[nH]c32)CCCO1 ZINC000277646328 427271365 /nfs/dbraw/zinc/27/13/65/427271365.db2.gz DGSJYUWZZQHFRH-OAHLLOKOSA-N 1 3 301.434 2.758 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@@H](O)c1ccccc1Cl)C2 ZINC000285568028 427276205 /nfs/dbraw/zinc/27/62/05/427276205.db2.gz SEEPWUWCGMKWMJ-DVJFUJMWSA-N 1 3 308.853 2.930 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@@H](O)c1ccccc1Cl)C2 ZINC000285568028 427276212 /nfs/dbraw/zinc/27/62/12/427276212.db2.gz SEEPWUWCGMKWMJ-DVJFUJMWSA-N 1 3 308.853 2.930 20 0 DFADHO CC(C)[C@H](O)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000293363411 427300155 /nfs/dbraw/zinc/30/01/55/427300155.db2.gz ONLWHPSZOBVGRS-RTBURBONSA-N 1 3 302.462 2.601 20 0 DFADHO CC(C)[C@H](O)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000293363411 427300162 /nfs/dbraw/zinc/30/01/62/427300162.db2.gz ONLWHPSZOBVGRS-RTBURBONSA-N 1 3 302.462 2.601 20 0 DFADHO CC[C@@H]1C[C@H](C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CCO1 ZINC000261702654 427338962 /nfs/dbraw/zinc/33/89/62/427338962.db2.gz JLPQFUOCOMQYIV-OWYHZJEWSA-N 1 3 302.462 2.866 20 0 DFADHO CC[C@@H]1C[C@H](C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CCO1 ZINC000261702654 427338967 /nfs/dbraw/zinc/33/89/67/427338967.db2.gz JLPQFUOCOMQYIV-OWYHZJEWSA-N 1 3 302.462 2.866 20 0 DFADHO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000261907579 427342732 /nfs/dbraw/zinc/34/27/32/427342732.db2.gz HEWGKWQTURGZSW-NVXWUHKLSA-N 1 3 317.477 2.703 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](OC)c2ccccc2)C1 ZINC000338549510 427373998 /nfs/dbraw/zinc/37/39/98/427373998.db2.gz RRQOQEFNCRZPPN-MOPGFXCFSA-N 1 3 320.477 2.807 20 0 DFADHO C[C@@]1(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCCCN1 ZINC000262959412 427384498 /nfs/dbraw/zinc/38/44/98/427384498.db2.gz JXUVVLDSBVQCMJ-AWEZNQCLSA-N 1 3 315.339 2.635 20 0 DFADHO CC(C)[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CCO1 ZINC000297297794 427391179 /nfs/dbraw/zinc/39/11/79/427391179.db2.gz AXXAUHWIZXRMMK-WMZOPIPTSA-N 1 3 303.450 2.844 20 0 DFADHO CC(C)(CCC[NH3+])NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000293691006 427407629 /nfs/dbraw/zinc/40/76/29/427407629.db2.gz PBXXWEVSBICFPJ-KRWDZBQOSA-N 1 3 317.477 2.532 20 0 DFADHO CN(C)CCN(Cc1ccccc1F)C(=O)CCCCCC[NH3+] ZINC000286055864 427413202 /nfs/dbraw/zinc/41/32/02/427413202.db2.gz LNLWKHGWOMOYPK-UHFFFAOYSA-N 1 3 323.456 2.625 20 0 DFADHO COC[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000297790253 427455127 /nfs/dbraw/zinc/45/51/27/427455127.db2.gz WTYDRUJYJUFMET-INIZCTEOSA-N 1 3 301.390 2.621 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN(C)C)c(C)c1 ZINC000293874519 427474995 /nfs/dbraw/zinc/47/49/95/427474995.db2.gz YITQMZSGRQXHJP-ZBFHGGJFSA-N 1 3 305.466 2.808 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@@H](C)C[NH+](C)C)c(C)c1 ZINC000293874519 427475003 /nfs/dbraw/zinc/47/50/03/427475003.db2.gz YITQMZSGRQXHJP-ZBFHGGJFSA-N 1 3 305.466 2.808 20 0 DFADHO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297691299 427429651 /nfs/dbraw/zinc/42/96/51/427429651.db2.gz PWEKEJJNNAKFFK-QAPCUYQASA-N 1 3 303.450 2.701 20 0 DFADHO O[C@H](CN[C@H](Cc1ccccc1Cl)C1CC1)C[NH+]1CCCC1 ZINC000293785119 427435824 /nfs/dbraw/zinc/43/58/24/427435824.db2.gz QJUZPWPPICHSQA-SJLPKXTDSA-N 1 3 322.880 2.707 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000338689026 427440641 /nfs/dbraw/zinc/44/06/41/427440641.db2.gz BIIIHQYFMQYDJA-YZGWKJHDSA-N 1 3 315.505 2.796 20 0 DFADHO CCOc1cc(CN2CCC(CC[NH+](C)C)CC2)ccc1O ZINC000297961105 427491569 /nfs/dbraw/zinc/49/15/69/427491569.db2.gz WLWHCFWYRCSXQY-UHFFFAOYSA-N 1 3 306.450 2.955 20 0 DFADHO C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000278930760 427505712 /nfs/dbraw/zinc/50/57/12/427505712.db2.gz LERCVDCGDRRSTO-JCHJZTRSSA-N 1 3 302.462 2.648 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(OCCN(C)C)cc1 ZINC000271430172 427534414 /nfs/dbraw/zinc/53/44/14/427534414.db2.gz DJJZIPFJGSNUJK-JKSUJKDBSA-N 1 3 316.449 2.563 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC1([C@@H](O)c2ccccc2)CC1 ZINC000271479739 427555888 /nfs/dbraw/zinc/55/58/88/427555888.db2.gz IUXKNURTFXUUKC-LMSBXDPUSA-N 1 3 302.462 2.819 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC1([C@@H](O)c2ccccc2)CC1 ZINC000271479739 427555895 /nfs/dbraw/zinc/55/58/95/427555895.db2.gz IUXKNURTFXUUKC-LMSBXDPUSA-N 1 3 302.462 2.819 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@H]2CCC[C@H]2CCF)ccn1 ZINC000286318458 427490581 /nfs/dbraw/zinc/49/05/81/427490581.db2.gz XUQNUOURYBHDLN-HOTGVXAUSA-N 1 3 309.429 2.640 20 0 DFADHO c1cc(CNCC2CC[NH+](C3CC3)CC2)n(-c2ccccc2)n1 ZINC000279101058 427558955 /nfs/dbraw/zinc/55/89/55/427558955.db2.gz JGCFWBAVOMEUOM-UHFFFAOYSA-N 1 3 310.445 2.836 20 0 DFADHO C[C@H]1COCC[C@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000192536447 427559391 /nfs/dbraw/zinc/55/93/91/427559391.db2.gz DGNUVCQUAIFKPL-YTQUADARSA-N 1 3 302.462 2.566 20 0 DFADHO Cc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)c(CN(C)C)c1 ZINC000192551510 427562603 /nfs/dbraw/zinc/56/26/03/427562603.db2.gz UUTYNJHAONAVES-UHFFFAOYSA-N 1 3 315.461 2.870 20 0 DFADHO Oc1ccc(CCC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298304766 427564628 /nfs/dbraw/zinc/56/46/28/427564628.db2.gz HSEJRRDCAFKOJH-UHFFFAOYSA-N 1 3 311.429 2.978 20 0 DFADHO CCC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1cccnc1 ZINC000185013651 427577458 /nfs/dbraw/zinc/57/74/58/427577458.db2.gz FGRJIBFZROMSHS-SFHVURJKSA-N 1 3 304.482 2.540 20 0 DFADHO CN(C)[C@H](C[NH2+]C1CCN(C2CC2)CC1)c1cccc(F)c1 ZINC000298363313 427586346 /nfs/dbraw/zinc/58/63/46/427586346.db2.gz KFEUEIOEVVUNOB-GOSISDBHSA-N 1 3 305.441 2.645 20 0 DFADHO CN(C)[C@H](CNC1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000298363313 427586353 /nfs/dbraw/zinc/58/63/53/427586353.db2.gz KFEUEIOEVVUNOB-GOSISDBHSA-N 1 3 305.441 2.645 20 0 DFADHO COc1ccc2c(c1)[C@H](NCC1=CC[N@H+](C)CC1)CCCO2 ZINC000271873342 427591600 /nfs/dbraw/zinc/59/16/00/427591600.db2.gz NJIQTQSZBVEXGN-QGZVFWFLSA-N 1 3 302.418 2.760 20 0 DFADHO COc1ccc2c(c1)[C@H](NCC1=CC[N@@H+](C)CC1)CCCO2 ZINC000271873342 427591606 /nfs/dbraw/zinc/59/16/06/427591606.db2.gz NJIQTQSZBVEXGN-QGZVFWFLSA-N 1 3 302.418 2.760 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@](C)(O)c1cccc(Cl)c1 ZINC000185309134 427631073 /nfs/dbraw/zinc/63/10/73/427631073.db2.gz NJHNSADWEJUFBN-KFZJALRRSA-N 1 3 310.869 2.866 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@](C)(O)c1cccc(Cl)c1 ZINC000185309134 427631078 /nfs/dbraw/zinc/63/10/78/427631078.db2.gz NJHNSADWEJUFBN-KFZJALRRSA-N 1 3 310.869 2.866 20 0 DFADHO CC(C)[C@@H]1CCC[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000333608760 427660220 /nfs/dbraw/zinc/66/02/20/427660220.db2.gz RQKDFARGWDQMAQ-HUUCEWRRSA-N 1 3 305.470 2.576 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[NH2+][C@@H]1C)c1ccsc1 ZINC000342765241 272052105 /nfs/dbraw/zinc/05/21/05/272052105.db2.gz MZJUZIVBWAAVRA-VNQPRFMTSA-N 1 3 323.506 2.635 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000294910417 427667093 /nfs/dbraw/zinc/66/70/93/427667093.db2.gz CCECRYGOQWOEQS-FGTMMUONSA-N 1 3 317.477 2.834 20 0 DFADHO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCOCCN(C)C)C1 ZINC000343463465 272153324 /nfs/dbraw/zinc/15/33/24/272153324.db2.gz ZGOZGERAGVJQMR-IRXDYDNUSA-N 1 3 305.466 2.584 20 0 DFADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC(C[NH+](CC)CC)CC1 ZINC000343573121 272173108 /nfs/dbraw/zinc/17/31/08/272173108.db2.gz AWEGAPGNLPKTPP-HOTGVXAUSA-N 1 3 311.514 2.734 20 0 DFADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000343641135 272191384 /nfs/dbraw/zinc/19/13/84/272191384.db2.gz NXUQHLQVBQUJLU-MSOLQXFVSA-N 1 3 321.509 2.774 20 0 DFADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000343641135 272191386 /nfs/dbraw/zinc/19/13/86/272191386.db2.gz NXUQHLQVBQUJLU-MSOLQXFVSA-N 1 3 321.509 2.774 20 0 DFADHO CC(C)C1CC(NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000343921869 272238289 /nfs/dbraw/zinc/23/82/89/272238289.db2.gz FFIAUNYKCNEBJH-UHFFFAOYSA-N 1 3 305.466 2.936 20 0 DFADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C1(C)C ZINC000344070464 272256572 /nfs/dbraw/zinc/25/65/72/272256572.db2.gz SMUYZBZXZMCGJD-ZOFXXKQRSA-N 1 3 312.498 2.525 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000344106998 272264816 /nfs/dbraw/zinc/26/48/16/272264816.db2.gz UREJQYKVWZPOLP-SJORKVTESA-N 1 3 303.450 2.690 20 0 DFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1cccc(OC)c1 ZINC000344133673 272270413 /nfs/dbraw/zinc/27/04/13/272270413.db2.gz QLZWTAKIDGMTEV-UHFFFAOYSA-N 1 3 319.493 2.545 20 0 DFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1cccc(OC)c1 ZINC000344133673 272270416 /nfs/dbraw/zinc/27/04/16/272270416.db2.gz QLZWTAKIDGMTEV-UHFFFAOYSA-N 1 3 319.493 2.545 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344137802 272271827 /nfs/dbraw/zinc/27/18/27/272271827.db2.gz SMKUTJUHAOOMFZ-LJQANCHMSA-N 1 3 319.468 2.819 20 0 DFADHO COc1cc(NC(C)=O)ccc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000344296005 272307424 /nfs/dbraw/zinc/30/74/24/272307424.db2.gz LGKZKRHCFYUASG-ZDUSSCGKSA-N 1 3 317.433 2.566 20 0 DFADHO COc1cc(NC(C)=O)ccc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000344296005 272307425 /nfs/dbraw/zinc/30/74/25/272307425.db2.gz LGKZKRHCFYUASG-ZDUSSCGKSA-N 1 3 317.433 2.566 20 0 DFADHO C[C@@H]([NH3+])CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000193313865 427683580 /nfs/dbraw/zinc/68/35/80/427683580.db2.gz DEHNEPPIGZXATQ-NUJGCVRESA-N 1 3 317.477 2.625 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344719590 272359819 /nfs/dbraw/zinc/35/98/19/272359819.db2.gz YMHDFVGOSHJPIE-DLBZAZTESA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344719590 272359821 /nfs/dbraw/zinc/35/98/21/272359821.db2.gz YMHDFVGOSHJPIE-DLBZAZTESA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)N1CCCCCC1 ZINC000344740263 272364638 /nfs/dbraw/zinc/36/46/38/272364638.db2.gz LCSPAAIDYCLGOZ-SJORKVTESA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)N1CCCCCC1 ZINC000344740263 272364641 /nfs/dbraw/zinc/36/46/41/272364641.db2.gz LCSPAAIDYCLGOZ-SJORKVTESA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCCN1CCCC1 ZINC000193459826 427695003 /nfs/dbraw/zinc/69/50/03/427695003.db2.gz COKCORGCYLNEPF-MRXNPFEDSA-N 1 3 313.449 2.746 20 0 DFADHO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCCN1CCCC1 ZINC000193459826 427695007 /nfs/dbraw/zinc/69/50/07/427695007.db2.gz COKCORGCYLNEPF-MRXNPFEDSA-N 1 3 313.449 2.746 20 0 DFADHO CC(C)[NH+]1CCC(N[C@@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287845941 427703519 /nfs/dbraw/zinc/70/35/19/427703519.db2.gz WMPQQPNIHQNPMD-HNNXBMFYSA-N 1 3 313.449 2.791 20 0 DFADHO Cc1nccn1CCCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336854739 427760596 /nfs/dbraw/zinc/76/05/96/427760596.db2.gz FXYIKQVZPOFKCT-SFHVURJKSA-N 1 3 304.482 2.635 20 0 DFADHO Cc1nccn1CCCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336854739 427760599 /nfs/dbraw/zinc/76/05/99/427760599.db2.gz FXYIKQVZPOFKCT-SFHVURJKSA-N 1 3 304.482 2.635 20 0 DFADHO CCN1CC[C@H]([N@H+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@@H]1C ZINC000336871832 427769064 /nfs/dbraw/zinc/76/90/64/427769064.db2.gz NIHCOZVZCQWWTA-BBRMVZONSA-N 1 3 315.465 2.581 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@@H]1C ZINC000336871832 427769068 /nfs/dbraw/zinc/76/90/68/427769068.db2.gz NIHCOZVZCQWWTA-BBRMVZONSA-N 1 3 315.465 2.581 20 0 DFADHO CN(CCCc1ccc2c(c1)CCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000339409614 427770286 /nfs/dbraw/zinc/77/02/86/427770286.db2.gz HXKBZOWSNBGPMG-JWTNVVGKSA-N 1 3 300.446 2.769 20 0 DFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300201769 427772120 /nfs/dbraw/zinc/77/21/20/427772120.db2.gz AMTPKTXKWARXFK-YHUYYLMFSA-N 1 3 323.481 2.649 20 0 DFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300201769 427772122 /nfs/dbraw/zinc/77/21/22/427772122.db2.gz AMTPKTXKWARXFK-YHUYYLMFSA-N 1 3 323.481 2.649 20 0 DFADHO c1ccc(CCCO[C@@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000339427851 427773097 /nfs/dbraw/zinc/77/30/97/427773097.db2.gz DZNIPFUCSRVSBP-RBUKOAKNSA-N 1 3 302.462 2.710 20 0 DFADHO Cc1cnn(CCN(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000336695493 427747562 /nfs/dbraw/zinc/74/75/62/427747562.db2.gz AHVBMAHNUHNBTH-UHFFFAOYSA-N 1 3 312.461 2.788 20 0 DFADHO Cc1sccc1C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000339300195 427754299 /nfs/dbraw/zinc/75/42/99/427754299.db2.gz BTQKFTZQULABHK-DLBZAZTESA-N 1 3 308.491 2.914 20 0 DFADHO NC[C@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000337044391 427791690 /nfs/dbraw/zinc/79/16/90/427791690.db2.gz DQJKPVVOBKKLCL-GJZGRUSLSA-N 1 3 316.367 2.630 20 0 DFADHO NC[C@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000337044391 427791692 /nfs/dbraw/zinc/79/16/92/427791692.db2.gz DQJKPVVOBKKLCL-GJZGRUSLSA-N 1 3 316.367 2.630 20 0 DFADHO [NH3+]C[C@H]1CN(CCCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000337044391 427791694 /nfs/dbraw/zinc/79/16/94/427791694.db2.gz DQJKPVVOBKKLCL-GJZGRUSLSA-N 1 3 316.367 2.630 20 0 DFADHO CCc1cc(N2CCN(CCOC)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000301769119 427822567 /nfs/dbraw/zinc/82/25/67/427822567.db2.gz CVYWFBRHCQVTGM-OAHLLOKOSA-N 1 3 313.445 2.954 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H]1CCCOc2ccc(F)cc21 ZINC000349674520 427840761 /nfs/dbraw/zinc/84/07/61/427840761.db2.gz ZBPZCGMSEQGLSH-QGZVFWFLSA-N 1 3 324.440 2.987 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)COC(C)C)[C@H](C)C1 ZINC000337328689 427846236 /nfs/dbraw/zinc/84/62/36/427846236.db2.gz FBKNYFUWGJSNFQ-ZACQAIPSSA-N 1 3 300.487 2.527 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)COC(C)C)[C@H](C)C1 ZINC000337328689 427846240 /nfs/dbraw/zinc/84/62/40/427846240.db2.gz FBKNYFUWGJSNFQ-ZACQAIPSSA-N 1 3 300.487 2.527 20 0 DFADHO CCC(CC)CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000345660273 427848166 /nfs/dbraw/zinc/84/81/66/427848166.db2.gz YSRUVBISTKNICG-KRWDZBQOSA-N 1 3 311.514 2.687 20 0 DFADHO CCC(CC)CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000345660273 427848172 /nfs/dbraw/zinc/84/81/72/427848172.db2.gz YSRUVBISTKNICG-KRWDZBQOSA-N 1 3 311.514 2.687 20 0 DFADHO Cc1[nH+]c2ccccc2c(N2CCN(C[C@H](C)O)[C@H](C)C2)c1C ZINC000302088408 427850572 /nfs/dbraw/zinc/85/05/72/427850572.db2.gz OJOWKKMOZJQOSR-KGLIPLIRSA-N 1 3 313.445 2.743 20 0 DFADHO CC[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000359498614 427877938 /nfs/dbraw/zinc/87/79/38/427877938.db2.gz YFOQWKMOTMYTSO-GOSISDBHSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000355790052 427895257 /nfs/dbraw/zinc/89/52/57/427895257.db2.gz HRXFRWYECGELJL-CYGHRXIMSA-N 1 3 317.477 2.524 20 0 DFADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000355790052 427895262 /nfs/dbraw/zinc/89/52/62/427895262.db2.gz HRXFRWYECGELJL-CYGHRXIMSA-N 1 3 317.477 2.524 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](c1ccccc1Cl)N(C)C ZINC000359551203 427904902 /nfs/dbraw/zinc/90/49/02/427904902.db2.gz JRDUARLANNMISX-XOKHGSTOSA-N 1 3 309.885 2.873 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](c1ccccc1Cl)N(C)C ZINC000359551203 427904907 /nfs/dbraw/zinc/90/49/07/427904907.db2.gz JRDUARLANNMISX-XOKHGSTOSA-N 1 3 309.885 2.873 20 0 DFADHO C[NH2+]CCC1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000346668513 272667961 /nfs/dbraw/zinc/66/79/61/272667961.db2.gz IRFUTLFYJMEYII-UHFFFAOYSA-N 1 3 304.434 2.669 20 0 DFADHO COC1(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCCC1 ZINC000359700166 427979017 /nfs/dbraw/zinc/97/90/17/427979017.db2.gz MJVNCSVRGPGDGY-MSOLQXFVSA-N 1 3 324.509 2.693 20 0 DFADHO CCC[N@H+](C)C[C@@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000340288316 427979379 /nfs/dbraw/zinc/97/93/79/427979379.db2.gz IGYKDLLBOOPJOV-VQTJNVASSA-N 1 3 315.505 2.925 20 0 DFADHO CCC[N@@H+](C)C[C@@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000340288316 427979383 /nfs/dbraw/zinc/97/93/83/427979383.db2.gz IGYKDLLBOOPJOV-VQTJNVASSA-N 1 3 315.505 2.925 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)CN(C)C)[C@@H]1Oc1ccccc1 ZINC000359716183 427986637 /nfs/dbraw/zinc/98/66/37/427986637.db2.gz MHIJQKQYKQNZBZ-KSZLIROESA-N 1 3 320.477 2.789 20 0 DFADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(C(=O)OC)cc1 ZINC000340188849 427949235 /nfs/dbraw/zinc/94/92/35/427949235.db2.gz QKLQEKKEZUCRJT-WMLDXEAASA-N 1 3 304.434 2.856 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000356103466 428023613 /nfs/dbraw/zinc/02/36/13/428023613.db2.gz VEDZIPYRAAMDFB-HOTGVXAUSA-N 1 3 319.493 2.790 20 0 DFADHO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCN(C)Cc1ccc(F)cc1 ZINC000359850524 428045845 /nfs/dbraw/zinc/04/58/45/428045845.db2.gz AUHNPRRQXGMPGH-QFBILLFUSA-N 1 3 319.468 2.816 20 0 DFADHO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCN(C)Cc1ccc(F)cc1 ZINC000359850524 428045850 /nfs/dbraw/zinc/04/58/50/428045850.db2.gz AUHNPRRQXGMPGH-QFBILLFUSA-N 1 3 319.468 2.816 20 0 DFADHO C[C@H](Cc1nc(-c2ccccc2)no1)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000359884532 428060568 /nfs/dbraw/zinc/06/05/68/428060568.db2.gz YMVVXGFJUPMEGB-IJEWVQPXSA-N 1 3 314.433 2.740 20 0 DFADHO C[C@H](Cc1nc(-c2ccccc2)no1)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000359884532 428060573 /nfs/dbraw/zinc/06/05/73/428060573.db2.gz YMVVXGFJUPMEGB-IJEWVQPXSA-N 1 3 314.433 2.740 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000351853930 428110750 /nfs/dbraw/zinc/11/07/50/428110750.db2.gz PRKPBSFVDZVJOD-YPMHNXCESA-N 1 3 302.340 2.797 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000351859265 428112984 /nfs/dbraw/zinc/11/29/84/428112984.db2.gz GEDKBYKBFLLWJK-MAUKXSAKSA-N 1 3 311.429 2.830 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000360027743 428124119 /nfs/dbraw/zinc/12/41/19/428124119.db2.gz OEDUBXUFULEGOL-NVXWUHKLSA-N 1 3 318.461 2.805 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000360027743 428124124 /nfs/dbraw/zinc/12/41/24/428124124.db2.gz OEDUBXUFULEGOL-NVXWUHKLSA-N 1 3 318.461 2.805 20 0 DFADHO CC(C)[C@@H](CNC(=[NH2+])N1CCC(C)CC1)N1CCC(C)CC1 ZINC000341635892 428134923 /nfs/dbraw/zinc/13/49/23/428134923.db2.gz QFYRXYZDLWELJN-QGZVFWFLSA-N 1 3 308.514 2.999 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000346360631 428140600 /nfs/dbraw/zinc/14/06/00/428140600.db2.gz JGLAFRRCRFZMPF-HAGHYFMRSA-N 1 3 314.473 2.913 20 0 DFADHO CC(=O)Nc1ccccc1CN(CCC[NH3+])CC1CCCC1 ZINC000352545730 428145551 /nfs/dbraw/zinc/14/55/51/428145551.db2.gz LFXWMQKRBPRTGC-UHFFFAOYSA-N 1 3 303.450 2.986 20 0 DFADHO CSC1(CNCc2cnc(C(C)(C)C)nc2)CC[NH+](C)CC1 ZINC000356364596 428146309 /nfs/dbraw/zinc/14/63/09/428146309.db2.gz MBANCHRPJIKMAO-UHFFFAOYSA-N 1 3 322.522 2.691 20 0 DFADHO CCCNC(=[NH2+])NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000370167564 428148710 /nfs/dbraw/zinc/14/87/10/428148710.db2.gz QZNNQKSOFIBSSC-DZGCQCFKSA-N 1 3 308.857 2.857 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000341699030 428161547 /nfs/dbraw/zinc/16/15/47/428161547.db2.gz QHGAIDLKJRCZQD-OAHLLOKOSA-N 1 3 324.852 2.600 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000360109838 428165292 /nfs/dbraw/zinc/16/52/92/428165292.db2.gz JLYFNIXFEDOXMG-GASCZTMLSA-N 1 3 303.450 2.602 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCC[C@@H]1C ZINC000346424613 428167556 /nfs/dbraw/zinc/16/75/56/428167556.db2.gz DLQHUPQAPSZNEY-OKZBNKHCSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCC[C@@H]1C ZINC000346424613 428167562 /nfs/dbraw/zinc/16/75/62/428167562.db2.gz DLQHUPQAPSZNEY-OKZBNKHCSA-N 1 3 323.525 2.687 20 0 DFADHO CSC1(C[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CCC1 ZINC000356433421 428176405 /nfs/dbraw/zinc/17/64/05/428176405.db2.gz RFXGIDJLEYSETL-QGZVFWFLSA-N 1 3 320.502 2.629 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000414103091 428205339 /nfs/dbraw/zinc/20/53/39/428205339.db2.gz NGLQUZAFPOOXBR-DOTOQJQBSA-N 1 3 305.466 2.731 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000414103091 428205344 /nfs/dbraw/zinc/20/53/44/428205344.db2.gz NGLQUZAFPOOXBR-DOTOQJQBSA-N 1 3 305.466 2.731 20 0 DFADHO Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(CN(C)C)c1 ZINC000377742821 428214464 /nfs/dbraw/zinc/21/44/64/428214464.db2.gz IGGHBOSESPRHJC-DLBZAZTESA-N 1 3 315.461 2.631 20 0 DFADHO COc1c[nH+]ccc1N1CCN(c2ccnc3ccccc32)CC1 ZINC000360239010 428217282 /nfs/dbraw/zinc/21/72/82/428217282.db2.gz ABCVSDHJCRRCGH-UHFFFAOYSA-N 1 3 320.396 2.965 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000370488017 428223312 /nfs/dbraw/zinc/22/33/12/428223312.db2.gz KFMAWNJSOSNOCN-ROUUACIJSA-N 1 3 321.509 2.585 20 0 DFADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000370488017 428223316 /nfs/dbraw/zinc/22/33/16/428223316.db2.gz KFMAWNJSOSNOCN-ROUUACIJSA-N 1 3 321.509 2.585 20 0 DFADHO COC(=O)c1csc([C@H](C)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000414184681 428227170 /nfs/dbraw/zinc/22/71/70/428227170.db2.gz OCSCKBCIGRYGEN-QWHCGFSZSA-N 1 3 310.463 2.917 20 0 DFADHO COC(=O)c1csc([C@H](C)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414184681 428227176 /nfs/dbraw/zinc/22/71/76/428227176.db2.gz OCSCKBCIGRYGEN-QWHCGFSZSA-N 1 3 310.463 2.917 20 0 DFADHO CCN(CC)CCC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352750315 428232192 /nfs/dbraw/zinc/23/21/92/428232192.db2.gz PSHBNAHXIZCQEI-UHFFFAOYSA-N 1 3 300.450 2.909 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(CC)nc2)[C@H](C)C1 ZINC000352760034 428233850 /nfs/dbraw/zinc/23/38/50/428233850.db2.gz NCTFNWQEUPYDPY-VQIMIIECSA-N 1 3 319.493 2.871 20 0 DFADHO COc1cccc(OC)c1CNC1CCC(C[NH+](C)C)CC1 ZINC000352756920 428234252 /nfs/dbraw/zinc/23/42/52/428234252.db2.gz SJGHBQUZQXLMLI-UHFFFAOYSA-N 1 3 306.450 2.914 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]CCCN2CCCC[C@H]2C)cn1 ZINC000414075181 428199728 /nfs/dbraw/zinc/19/97/28/428199728.db2.gz XKUNWCLJLAFYAC-HZPDHXFCSA-N 1 3 305.466 2.875 20 0 DFADHO COc1ccc(C[C@@H](C)NCCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000414075181 428199732 /nfs/dbraw/zinc/19/97/32/428199732.db2.gz XKUNWCLJLAFYAC-HZPDHXFCSA-N 1 3 305.466 2.875 20 0 DFADHO COc1ccc(C[C@@H](C)NCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000414075181 428199735 /nfs/dbraw/zinc/19/97/35/428199735.db2.gz XKUNWCLJLAFYAC-HZPDHXFCSA-N 1 3 305.466 2.875 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414352104 428267002 /nfs/dbraw/zinc/26/70/02/428267002.db2.gz SLMBEHNXBONBLM-SZXPJGKVSA-N 1 3 305.441 2.723 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414352104 428267004 /nfs/dbraw/zinc/26/70/04/428267004.db2.gz SLMBEHNXBONBLM-SZXPJGKVSA-N 1 3 305.441 2.723 20 0 DFADHO CCN1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000414347449 428268012 /nfs/dbraw/zinc/26/80/12/428268012.db2.gz QZUUIDOFWBHLMA-WTGUMLROSA-N 1 3 313.489 2.866 20 0 DFADHO CCN1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414347449 428268017 /nfs/dbraw/zinc/26/80/17/428268017.db2.gz QZUUIDOFWBHLMA-WTGUMLROSA-N 1 3 313.489 2.866 20 0 DFADHO CCN1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414347449 428268021 /nfs/dbraw/zinc/26/80/21/428268021.db2.gz QZUUIDOFWBHLMA-WTGUMLROSA-N 1 3 313.489 2.866 20 0 DFADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cccc(OCC(F)(F)F)c1 ZINC000346694594 428275616 /nfs/dbraw/zinc/27/56/16/428275616.db2.gz VBCWJSZBRRCRNO-AAEUAGOBSA-N 1 3 302.340 2.797 20 0 DFADHO Cc1cc(F)ccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000370709059 428282270 /nfs/dbraw/zinc/28/22/70/428282270.db2.gz IMGHEMABMJDVMB-APWZRJJASA-N 1 3 319.468 2.592 20 0 DFADHO Cc1cc(F)ccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000370709059 428282272 /nfs/dbraw/zinc/28/22/72/428282272.db2.gz IMGHEMABMJDVMB-APWZRJJASA-N 1 3 319.468 2.592 20 0 DFADHO c1ccc2c(c1)COC21CC[NH+](CCCN2CCCC2)CC1 ZINC000360417600 428288919 /nfs/dbraw/zinc/28/89/19/428288919.db2.gz DMBBMVBVENFZJS-UHFFFAOYSA-N 1 3 300.446 2.994 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C)[C@@H]2c2cccs2)CCN1C ZINC000370620101 428254229 /nfs/dbraw/zinc/25/42/29/428254229.db2.gz KOMKAZMPNICXGC-DLTWYDFYSA-N 1 3 307.507 2.813 20 0 DFADHO Cc1nn(C(C)C)cc1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000377885405 428256462 /nfs/dbraw/zinc/25/64/62/428256462.db2.gz SUOIBSLMLMTQFX-QGZVFWFLSA-N 1 3 304.482 2.936 20 0 DFADHO CC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccs1 ZINC000370633503 428257178 /nfs/dbraw/zinc/25/71/78/428257178.db2.gz HHQRNGNBQPBDIN-HOCLYGCPSA-N 1 3 307.507 2.957 20 0 DFADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000370637668 428258990 /nfs/dbraw/zinc/25/89/90/428258990.db2.gz VNYHSZXXYMEGEO-SJLPKXTDSA-N 1 3 301.478 2.814 20 0 DFADHO CCN1CC[C@H]([NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)C1 ZINC000414330928 428260353 /nfs/dbraw/zinc/26/03/53/428260353.db2.gz CKUQEFACDPWXJH-XLIONFOSSA-N 1 3 315.505 2.766 20 0 DFADHO CCN1CC[C@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000414330928 428260359 /nfs/dbraw/zinc/26/03/59/428260359.db2.gz CKUQEFACDPWXJH-XLIONFOSSA-N 1 3 315.505 2.766 20 0 DFADHO c1ccc2c(c1)CCN2CC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346821492 428331303 /nfs/dbraw/zinc/33/13/03/428331303.db2.gz AIGCQBYEQBVVPE-SFHVURJKSA-N 1 3 313.489 2.761 20 0 DFADHO c1ccc2c(c1)CCN2CC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000346821492 428331306 /nfs/dbraw/zinc/33/13/06/428331306.db2.gz AIGCQBYEQBVVPE-SFHVURJKSA-N 1 3 313.489 2.761 20 0 DFADHO COCCCOc1cccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000346826689 428335199 /nfs/dbraw/zinc/33/51/99/428335199.db2.gz MAMGBGLPXPSRQI-YTQUADARSA-N 1 3 318.461 2.661 20 0 DFADHO COCCCOc1cccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000346826686 428335499 /nfs/dbraw/zinc/33/54/99/428335499.db2.gz MAMGBGLPXPSRQI-QXAKKESOSA-N 1 3 318.461 2.661 20 0 DFADHO CCc1cccnc1[C@@H](C)[NH2+]CCCCN1CCN(CC)CC1 ZINC000356882911 428348590 /nfs/dbraw/zinc/34/85/90/428348590.db2.gz VSHWXYRICWQOAF-QGZVFWFLSA-N 1 3 318.509 2.712 20 0 DFADHO CCc1cccnc1[C@H](C)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000356887504 428350022 /nfs/dbraw/zinc/35/00/22/428350022.db2.gz YOWYGPGAWFLSJL-RDJZCZTQSA-N 1 3 305.466 2.532 20 0 DFADHO CCc1cccnc1[C@H](C)NCCCC[N@H+]1CCC[C@H]1CO ZINC000356887504 428350025 /nfs/dbraw/zinc/35/00/25/428350025.db2.gz YOWYGPGAWFLSJL-RDJZCZTQSA-N 1 3 305.466 2.532 20 0 DFADHO OC[C@H](Cc1ccc(F)cc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000378403577 428387867 /nfs/dbraw/zinc/38/78/67/428387867.db2.gz NMMYQKIMQQXNTO-SFHVURJKSA-N 1 3 320.452 2.726 20 0 DFADHO C[C@@H]1C[C@@H](CN2CCNC[C@@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000414739235 428390438 /nfs/dbraw/zinc/39/04/38/428390438.db2.gz PWQQDGLNJVBZAG-JKIFEVAISA-N 1 3 307.869 2.674 20 0 DFADHO CC(C)N(CC(=O)Nc1ccc(F)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414737813 428391657 /nfs/dbraw/zinc/39/16/57/428391657.db2.gz OLERBICWQSGLMU-CABCVRRESA-N 1 3 321.440 2.863 20 0 DFADHO Cn1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2cccs2)n1 ZINC000414771170 428398086 /nfs/dbraw/zinc/39/80/86/428398086.db2.gz QIQBSAUUVJVIMD-OKILXGFUSA-N 1 3 316.474 2.580 20 0 DFADHO Fc1cccc(N2CCCC2)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414769872 428398499 /nfs/dbraw/zinc/39/84/99/428398499.db2.gz NXURYXIERJTBBV-IYBDPMFKSA-N 1 3 317.452 2.857 20 0 DFADHO [NH3+]C[C@H]1CN(C/C=C/c2ccc(F)cc2)CC12CCOCC2 ZINC000414773726 428402385 /nfs/dbraw/zinc/40/23/85/428402385.db2.gz DULMABGVLVTDJC-PYKQWIPUSA-N 1 3 304.409 2.526 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(OCC(F)(F)F)cc1 ZINC000414786018 428410632 /nfs/dbraw/zinc/41/06/32/428410632.db2.gz APWIMKWASHMULO-GXTWGEPZSA-N 1 3 302.340 2.845 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(OCc2ccncc2)cc1 ZINC000414788667 428411043 /nfs/dbraw/zinc/41/10/43/428411043.db2.gz DSOUVMDYBUXRHZ-IEBWSBKVSA-N 1 3 311.429 2.878 20 0 DFADHO COCCCCN1CCC[C@H]([N@H+](C)CCCCOC)CC1 ZINC000371097385 428360384 /nfs/dbraw/zinc/36/03/84/428360384.db2.gz BOCTTXDMXHBUSP-KRWDZBQOSA-N 1 3 300.487 2.626 20 0 DFADHO COCCCCN1CCC[C@H]([N@@H+](C)CCCCOC)CC1 ZINC000371097385 428360387 /nfs/dbraw/zinc/36/03/87/428360387.db2.gz BOCTTXDMXHBUSP-KRWDZBQOSA-N 1 3 300.487 2.626 20 0 DFADHO Cc1cccc(CN2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414672566 428371171 /nfs/dbraw/zinc/37/11/71/428371171.db2.gz ATNFYYRQSHVZBI-IEBWSBKVSA-N 1 3 301.478 2.501 20 0 DFADHO CC[C@H](c1ccccc1)[N@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414681378 428372874 /nfs/dbraw/zinc/37/28/74/428372874.db2.gz VYHURAVXBKYJGP-FUHWJXTLSA-N 1 3 317.477 2.657 20 0 DFADHO CC[C@H](c1ccccc1)[N@@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414681378 428372879 /nfs/dbraw/zinc/37/28/79/428372879.db2.gz VYHURAVXBKYJGP-FUHWJXTLSA-N 1 3 317.477 2.657 20 0 DFADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000353081712 428379202 /nfs/dbraw/zinc/37/92/02/428379202.db2.gz OEPQHUVKVKGWIK-HOJAQTOUSA-N 1 3 315.505 2.828 20 0 DFADHO C[C@@H]1C[C@H](CN2CCO[C@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC000414702398 428381819 /nfs/dbraw/zinc/38/18/19/428381819.db2.gz BJIVGDKPAZXEDY-BHIYHBOVSA-N 1 3 302.462 2.708 20 0 DFADHO CC(C)C[C@H](CN)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414853158 428433460 /nfs/dbraw/zinc/43/34/60/428433460.db2.gz RZMVMURUIOVMBT-LJQANCHMSA-N 1 3 303.494 2.657 20 0 DFADHO COCCN1CCC([NH2+]C[C@@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000414849162 428434184 /nfs/dbraw/zinc/43/41/84/428434184.db2.gz QVYNFVUHMAYCHP-LJQANCHMSA-N 1 3 319.493 2.510 20 0 DFADHO C[NH2+]CCCN[C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414859012 428435802 /nfs/dbraw/zinc/43/58/02/428435802.db2.gz LTXVUDZPWDANCR-SNVBAGLBSA-N 1 3 303.219 2.718 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@@H](C)C[NH3+] ZINC000414885883 428446115 /nfs/dbraw/zinc/44/61/15/428446115.db2.gz XPOOEIXDCPWUEN-WDEREUQCSA-N 1 3 317.355 2.607 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H](C)CN ZINC000414885883 428446121 /nfs/dbraw/zinc/44/61/21/428446121.db2.gz XPOOEIXDCPWUEN-WDEREUQCSA-N 1 3 317.355 2.607 20 0 DFADHO N[C@@H](C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)C1CC1 ZINC000414888983 428446746 /nfs/dbraw/zinc/44/67/46/428446746.db2.gz FUYSXBFJULUQFZ-KRWDZBQOSA-N 1 3 306.413 2.852 20 0 DFADHO CN(C(=[NH2+])NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000378643507 428447545 /nfs/dbraw/zinc/44/75/45/428447545.db2.gz UKEMBLZCRZBAJJ-INIZCTEOSA-N 1 3 300.450 2.517 20 0 DFADHO C[C@@H]([NH3+])C1CCN(Cc2c(C3CC3)nc3sccn23)CC1 ZINC000347115839 428454136 /nfs/dbraw/zinc/45/41/36/428454136.db2.gz UFLCOGITAKJLTR-LLVKDONJSA-N 1 3 304.463 2.832 20 0 DFADHO c1ccc(CN2CCN(CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000381477200 428454616 /nfs/dbraw/zinc/45/46/16/428454616.db2.gz AAGJLCQSBHKJCC-UHFFFAOYSA-N 1 3 301.478 2.584 20 0 DFADHO Cn1c(CNCC2(C)CC[NH2+]CC2)nc2cc(Cl)ccc21 ZINC000414910094 428454817 /nfs/dbraw/zinc/45/48/17/428454817.db2.gz SHRSGPGZFXXTQJ-UHFFFAOYSA-N 1 3 306.841 2.706 20 0 DFADHO CC(C)(C)CC(=O)N1CCC(NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000414925266 428459160 /nfs/dbraw/zinc/45/91/60/428459160.db2.gz IITISMCTAKYVIG-INIZCTEOSA-N 1 3 323.525 2.781 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCN1 ZINC000414944853 428467008 /nfs/dbraw/zinc/46/70/08/428467008.db2.gz HLGSNUWDFIJJNK-PSBWJHGTSA-N 1 3 301.478 2.770 20 0 DFADHO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000414796650 428416382 /nfs/dbraw/zinc/41/63/82/428416382.db2.gz HXHAVLAZYOYHSQ-VBQJREDUSA-N 1 3 319.449 2.519 20 0 DFADHO COc1cccc(NC(=O)C[C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414796650 428416388 /nfs/dbraw/zinc/41/63/88/428416388.db2.gz HXHAVLAZYOYHSQ-VBQJREDUSA-N 1 3 319.449 2.519 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H]2CN)c(C)c1 ZINC000414798476 428416478 /nfs/dbraw/zinc/41/64/78/428416478.db2.gz JGGNCSQPHHJSHV-ZOBUZTSGSA-N 1 3 303.450 2.738 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000414798476 428416486 /nfs/dbraw/zinc/41/64/86/428416486.db2.gz JGGNCSQPHHJSHV-ZOBUZTSGSA-N 1 3 303.450 2.738 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414811011 428418630 /nfs/dbraw/zinc/41/86/30/428418630.db2.gz VWBVDZRMEVPQIT-DVOMOZLQSA-N 1 3 307.413 2.650 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414811011 428418636 /nfs/dbraw/zinc/41/86/36/428418636.db2.gz VWBVDZRMEVPQIT-DVOMOZLQSA-N 1 3 307.413 2.650 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414810988 428419243 /nfs/dbraw/zinc/41/92/43/428419243.db2.gz VULNFTWGWBNWPI-ZOBUZTSGSA-N 1 3 303.450 2.819 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000414810988 428419247 /nfs/dbraw/zinc/41/92/47/428419247.db2.gz VULNFTWGWBNWPI-ZOBUZTSGSA-N 1 3 303.450 2.819 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414811013 428419967 /nfs/dbraw/zinc/41/99/67/428419967.db2.gz VWBVDZRMEVPQIT-WWGRRREGSA-N 1 3 307.413 2.650 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000414811013 428419972 /nfs/dbraw/zinc/41/99/72/428419972.db2.gz VWBVDZRMEVPQIT-WWGRRREGSA-N 1 3 307.413 2.650 20 0 DFADHO CSc1cc2c(cc1CN[C@@H]1CCCC[C@H]1C[NH3+])OCCO2 ZINC000414812576 428421004 /nfs/dbraw/zinc/42/10/04/428421004.db2.gz XLWXOJRLMBZCGX-GXTWGEPZSA-N 1 3 322.474 2.787 20 0 DFADHO CN(C[C@H](O)Cc1cccc(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000347048015 428425196 /nfs/dbraw/zinc/42/51/96/428425196.db2.gz HRWRFZGNRXRIAQ-DOTOQJQBSA-N 1 3 310.869 2.517 20 0 DFADHO CN(C[C@H](O)Cc1cccc(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000347048015 428425203 /nfs/dbraw/zinc/42/52/03/428425203.db2.gz HRWRFZGNRXRIAQ-DOTOQJQBSA-N 1 3 310.869 2.517 20 0 DFADHO c1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c2c(c1)OCCCO2 ZINC000347053552 428426466 /nfs/dbraw/zinc/42/64/66/428426466.db2.gz SNNBOIMWRXYWDE-QGZVFWFLSA-N 1 3 316.445 2.812 20 0 DFADHO C[C@@H](CCc1ccc2c(c1)OCO2)NCC1([NH3+])CCCCC1 ZINC000414838413 428429705 /nfs/dbraw/zinc/42/97/05/428429705.db2.gz HZXBDTUOHWOWDZ-AWEZNQCLSA-N 1 3 304.434 2.988 20 0 DFADHO CC(C)N1CCc2nc(CNC[C@@H]3CCC[C@H]([NH3+])C3)sc2C1 ZINC000415002332 428485950 /nfs/dbraw/zinc/48/59/50/428485950.db2.gz MBUBKHUVTGAQRK-KGLIPLIRSA-N 1 3 322.522 2.517 20 0 DFADHO Fc1cccc(N2CCCC2)c1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415001447 428486267 /nfs/dbraw/zinc/48/62/67/428486267.db2.gz CJFCOOYLHROBHL-MAUKXSAKSA-N 1 3 317.452 2.904 20 0 DFADHO [NH3+]C[C@H]1CC[C@@H](NCc2c(F)cccc2Br)C1 ZINC000415029976 428493756 /nfs/dbraw/zinc/49/37/56/428493756.db2.gz FJDRAXZPWRRCCV-VHSXEESVSA-N 1 3 301.203 2.805 20 0 DFADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CNCCCO1 ZINC000415044580 428497667 /nfs/dbraw/zinc/49/76/67/428497667.db2.gz SFXSYKYEYQFFRB-DOMZBBRYSA-N 1 3 316.367 2.605 20 0 DFADHO c1cn(-c2csc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2)cn1 ZINC000415041430 428497746 /nfs/dbraw/zinc/49/77/46/428497746.db2.gz LKIWTENLLLCINH-WMLDXEAASA-N 1 3 316.474 2.898 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN[C@H]2C)CCN1Cc1ccccc1 ZINC000396622656 428502001 /nfs/dbraw/zinc/50/20/01/428502001.db2.gz VGNBOPACNOYJAK-NEPXVJNWSA-N 1 3 301.478 2.770 20 0 DFADHO CC(C)C[C@@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)NCCN(C)C ZINC000347231837 428502966 /nfs/dbraw/zinc/50/29/66/428502966.db2.gz PMLGJLAJXWRUOF-DOTOQJQBSA-N 1 3 311.514 2.637 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415061741 428507808 /nfs/dbraw/zinc/50/78/08/428507808.db2.gz XDSSKVVVHBEFFS-PBFPGSCMSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415061741 428507811 /nfs/dbraw/zinc/50/78/11/428507811.db2.gz XDSSKVVVHBEFFS-PBFPGSCMSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCn1cnc2ccccc21 ZINC000415074543 428508697 /nfs/dbraw/zinc/50/86/97/428508697.db2.gz AOCNSZWLFBGBCE-HZPDHXFCSA-N 1 3 300.450 2.937 20 0 DFADHO CC(C)[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000415072860 428510397 /nfs/dbraw/zinc/51/03/97/428510397.db2.gz AFSNEYHBLPBFBD-JOQOYGCGSA-N 1 3 304.434 2.743 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@@H](C[NH3+])C1CCCC1 ZINC000415071249 428510576 /nfs/dbraw/zinc/51/05/76/428510576.db2.gz WHMRLTMEROEIEZ-YOEHRIQHSA-N 1 3 303.450 2.819 20 0 DFADHO CC(C)[C@H](N[C@H](C)[C@@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000415072863 428511143 /nfs/dbraw/zinc/51/11/43/428511143.db2.gz AFSNEYHBLPBFBD-SIIHOXLZSA-N 1 3 304.434 2.743 20 0 DFADHO COc1ccc([C@H](CNCC(C)(C)[NH3+])N2CCCCC2)cc1 ZINC000415085632 428514805 /nfs/dbraw/zinc/51/48/05/428514805.db2.gz QMLKDOPRWBRMCC-KRWDZBQOSA-N 1 3 305.466 2.549 20 0 DFADHO COc1ccc([C@H](C[NH2+]CC(C)(C)N)N2CCCCC2)cc1 ZINC000415085632 428514809 /nfs/dbraw/zinc/51/48/09/428514809.db2.gz QMLKDOPRWBRMCC-KRWDZBQOSA-N 1 3 305.466 2.549 20 0 DFADHO COc1ccc(C(C)(C)CN[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000415087268 428516932 /nfs/dbraw/zinc/51/69/32/428516932.db2.gz VTUQHMATZBXCGJ-OAHLLOKOSA-N 1 3 306.450 2.713 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCCNCC2)cc1OC ZINC000415087268 428516938 /nfs/dbraw/zinc/51/69/38/428516938.db2.gz VTUQHMATZBXCGJ-OAHLLOKOSA-N 1 3 306.450 2.713 20 0 DFADHO CN1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@@H]2CCC[C@H]21 ZINC000353392374 428517486 /nfs/dbraw/zinc/51/74/86/428517486.db2.gz GIXFAAMXRQXSHF-CWRNSKLLSA-N 1 3 310.388 2.806 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOc2ccc(F)cc2F)[C@@H]2CCC[C@H]21 ZINC000353392374 428517492 /nfs/dbraw/zinc/51/74/92/428517492.db2.gz GIXFAAMXRQXSHF-CWRNSKLLSA-N 1 3 310.388 2.806 20 0 DFADHO C[N@H+]1CC[C@H](NCCOc2ccc(F)cc2F)[C@@H]2CCC[C@H]21 ZINC000353392374 428517497 /nfs/dbraw/zinc/51/74/97/428517497.db2.gz GIXFAAMXRQXSHF-CWRNSKLLSA-N 1 3 310.388 2.806 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccc1F ZINC000415097263 428517456 /nfs/dbraw/zinc/51/74/56/428517456.db2.gz CMDVZFFWBFEGPJ-QXAKKESOSA-N 1 3 319.468 2.898 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1F ZINC000415097260 428519290 /nfs/dbraw/zinc/51/92/90/428519290.db2.gz CMDVZFFWBFEGPJ-BHIYHBOVSA-N 1 3 319.468 2.898 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000398084371 428520211 /nfs/dbraw/zinc/52/02/11/428520211.db2.gz SXNMURRJYRLERS-WBVHZDCISA-N 1 3 317.477 2.531 20 0 DFADHO C[C@H](Cc1ccccc1Br)[NH2+]C[C@H]1CCCNC1 ZINC000415124843 428528312 /nfs/dbraw/zinc/52/83/12/428528312.db2.gz RRDPOEUNSDDMTP-OLZOCXBDSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H](Cc1ccccc1Br)NC[C@H]1CCC[NH2+]C1 ZINC000415124843 428528317 /nfs/dbraw/zinc/52/83/17/428528317.db2.gz RRDPOEUNSDDMTP-OLZOCXBDSA-N 1 3 311.267 2.969 20 0 DFADHO COc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1C ZINC000415123554 428529451 /nfs/dbraw/zinc/52/94/51/428529451.db2.gz LFBPKFKRTDZZLM-HKUYNNGSSA-N 1 3 318.461 2.722 20 0 DFADHO COc1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1C ZINC000415127255 428530007 /nfs/dbraw/zinc/53/00/07/428530007.db2.gz QQMNJLYCBQTTRX-IEBWSBKVSA-N 1 3 318.461 2.722 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1NCCc2ccccc21 ZINC000414955489 428471684 /nfs/dbraw/zinc/47/16/84/428471684.db2.gz NDYYNXOJZGHSHH-SZVBFZGTSA-N 1 3 301.478 2.774 20 0 DFADHO CCN1CCN(c2ccc(N[C@@H]3CCC[NH2+]CC3)c(C)c2)CC1 ZINC000415127149 428530549 /nfs/dbraw/zinc/53/05/49/428530549.db2.gz VHNSYRDPSVGDRZ-QGZVFWFLSA-N 1 3 316.493 2.691 20 0 DFADHO c1csc(CCC[NH2+]C2CCN(c3ccncc3)CC2)n1 ZINC000391186214 428478107 /nfs/dbraw/zinc/47/81/07/428478107.db2.gz NBDKEPDQPHWFHX-UHFFFAOYSA-N 1 3 302.447 2.729 20 0 DFADHO CN(C)CCOC1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000353545395 428587261 /nfs/dbraw/zinc/58/72/61/428587261.db2.gz DDQSNOUARKHTKK-PKOBYXMFSA-N 1 3 302.462 2.833 20 0 DFADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc2c(c1)CNC2 ZINC000347494687 428591710 /nfs/dbraw/zinc/59/17/10/428591710.db2.gz CFNQSDNSSIBDAG-UHFFFAOYSA-N 1 3 315.461 2.626 20 0 DFADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc2c(c1)CNC2 ZINC000347494687 428591714 /nfs/dbraw/zinc/59/17/14/428591714.db2.gz CFNQSDNSSIBDAG-UHFFFAOYSA-N 1 3 315.461 2.626 20 0 DFADHO CCCC[C@@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000353433791 428534042 /nfs/dbraw/zinc/53/40/42/428534042.db2.gz ABTQZFYYYAKANL-GOSISDBHSA-N 1 3 317.477 2.532 20 0 DFADHO COCCSCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000373292750 428539778 /nfs/dbraw/zinc/53/97/78/428539778.db2.gz KQHVRGKWNSWMRF-INIZCTEOSA-N 1 3 300.512 2.564 20 0 DFADHO COCCSCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000373292750 428539782 /nfs/dbraw/zinc/53/97/82/428539782.db2.gz KQHVRGKWNSWMRF-INIZCTEOSA-N 1 3 300.512 2.564 20 0 DFADHO COCCSCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000373292750 428539785 /nfs/dbraw/zinc/53/97/85/428539785.db2.gz KQHVRGKWNSWMRF-INIZCTEOSA-N 1 3 300.512 2.564 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353451533 428543749 /nfs/dbraw/zinc/54/37/49/428543749.db2.gz AGXSRLSDUHYKGL-HAGHYFMRSA-N 1 3 315.505 2.622 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353451533 428543752 /nfs/dbraw/zinc/54/37/52/428543752.db2.gz AGXSRLSDUHYKGL-HAGHYFMRSA-N 1 3 315.505 2.622 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353451533 428543758 /nfs/dbraw/zinc/54/37/58/428543758.db2.gz AGXSRLSDUHYKGL-HAGHYFMRSA-N 1 3 315.505 2.622 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1cccs1 ZINC000353456375 428545737 /nfs/dbraw/zinc/54/57/37/428545737.db2.gz VSLARSYPDMLRKM-ZJIFWQFVSA-N 1 3 307.507 2.813 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1cccs1 ZINC000353456375 428545743 /nfs/dbraw/zinc/54/57/43/428545743.db2.gz VSLARSYPDMLRKM-ZJIFWQFVSA-N 1 3 307.507 2.813 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)c1cccs1 ZINC000353456375 428545746 /nfs/dbraw/zinc/54/57/46/428545746.db2.gz VSLARSYPDMLRKM-ZJIFWQFVSA-N 1 3 307.507 2.813 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C1CC1)N1CCCC1)CC(C)C ZINC000353458769 428546192 /nfs/dbraw/zinc/54/61/92/428546192.db2.gz KKKYLXAKANQZGD-QZTJIDSGSA-N 1 3 323.525 2.734 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1cccc(F)c1 ZINC000353460271 428548895 /nfs/dbraw/zinc/54/88/95/428548895.db2.gz KQDPKXVKBSSYCX-WJFTUGDTSA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1cccc(F)c1 ZINC000353460271 428548900 /nfs/dbraw/zinc/54/89/00/428548900.db2.gz KQDPKXVKBSSYCX-WJFTUGDTSA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)c1cccc(F)c1 ZINC000353460271 428548903 /nfs/dbraw/zinc/54/89/03/428548903.db2.gz KQDPKXVKBSSYCX-WJFTUGDTSA-N 1 3 319.468 2.891 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC1CCN(Cc2ccccn2)CC1 ZINC000353487083 428559762 /nfs/dbraw/zinc/55/97/62/428559762.db2.gz ZXQOELPHBYFGRB-KRWDZBQOSA-N 1 3 318.509 2.756 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC1CCN(Cc2ccccn2)CC1 ZINC000353487083 428559766 /nfs/dbraw/zinc/55/97/66/428559766.db2.gz ZXQOELPHBYFGRB-KRWDZBQOSA-N 1 3 318.509 2.756 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccccc2-n2ccnc2)[C@@H]2CCC[C@H]21 ZINC000353494659 428565756 /nfs/dbraw/zinc/56/57/56/428565756.db2.gz DIIXSUGJCOKNNL-JENIJYKNSA-N 1 3 310.445 2.835 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccccc2-n2ccnc2)[C@@H]2CCC[C@H]21 ZINC000353494659 428565760 /nfs/dbraw/zinc/56/57/60/428565760.db2.gz DIIXSUGJCOKNNL-JENIJYKNSA-N 1 3 310.445 2.835 20 0 DFADHO CC[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C)c1 ZINC000353522960 428574146 /nfs/dbraw/zinc/57/41/46/428574146.db2.gz SZAZQMUDYZOOFA-QZTJIDSGSA-N 1 3 317.477 2.623 20 0 DFADHO CC[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C)c1 ZINC000353522960 428574149 /nfs/dbraw/zinc/57/41/49/428574149.db2.gz SZAZQMUDYZOOFA-QZTJIDSGSA-N 1 3 317.477 2.623 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@H](CCCO)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353518517 428575344 /nfs/dbraw/zinc/57/53/44/428575344.db2.gz LFOQXWMPTDHURX-RDGPPVDQSA-N 1 3 302.462 2.963 20 0 DFADHO C[N@H+]1CC[C@H](N[C@H](CCCO)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353518517 428575349 /nfs/dbraw/zinc/57/53/49/428575349.db2.gz LFOQXWMPTDHURX-RDGPPVDQSA-N 1 3 302.462 2.963 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@H](CCCO)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353518518 428576120 /nfs/dbraw/zinc/57/61/20/428576120.db2.gz LFOQXWMPTDHURX-YRXWBPOGSA-N 1 3 302.462 2.963 20 0 DFADHO C[N@H+]1CC[C@H](N[C@H](CCCO)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353518518 428576126 /nfs/dbraw/zinc/57/61/26/428576126.db2.gz LFOQXWMPTDHURX-YRXWBPOGSA-N 1 3 302.462 2.963 20 0 DFADHO CC(C)N1CCC([NH2+][C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000343996868 428601950 /nfs/dbraw/zinc/60/19/50/428601950.db2.gz UFLDLXWHJSJNHL-KRWDZBQOSA-N 1 3 303.494 2.969 20 0 DFADHO CC(C)[NH+]1CCC(N[C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000343996868 428601953 /nfs/dbraw/zinc/60/19/53/428601953.db2.gz UFLDLXWHJSJNHL-KRWDZBQOSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccncc2OCCN(C)C)[C@H]1C ZINC000344042254 428618541 /nfs/dbraw/zinc/61/85/41/428618541.db2.gz JVVITUHFQGBCSA-HLLBOEOZSA-N 1 3 305.466 2.936 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@H]2CCC[C@@H]21 ZINC000353611816 428619074 /nfs/dbraw/zinc/61/90/74/428619074.db2.gz FRLWAEZYGCOJMD-SQNIBIBYSA-N 1 3 315.461 2.975 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)NCCN2CCCC2)cc1)C(C)C ZINC000358681394 428624881 /nfs/dbraw/zinc/62/48/81/428624881.db2.gz HTQSJFZZQNWDOG-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)NCCN2CCCC2)cc1)C(C)C ZINC000358681394 428624886 /nfs/dbraw/zinc/62/48/86/428624886.db2.gz HTQSJFZZQNWDOG-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CNCc1cccc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)c1 ZINC000415930191 428628365 /nfs/dbraw/zinc/62/83/65/428628365.db2.gz JSHMMLDVHVAITL-UHFFFAOYSA-N 1 3 320.481 2.989 20 0 DFADHO CN(C)C[C@@H](NC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000415960364 428634838 /nfs/dbraw/zinc/63/48/38/428634838.db2.gz QCKDMZSVFVRFIN-QGZVFWFLSA-N 1 3 312.417 2.570 20 0 DFADHO CNCc1cccc(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000415939557 428632597 /nfs/dbraw/zinc/63/25/97/428632597.db2.gz CJTSNSUJNBAHRY-MRXNPFEDSA-N 1 3 318.465 2.505 20 0 DFADHO CNCc1cccc(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000415939557 428632599 /nfs/dbraw/zinc/63/25/99/428632599.db2.gz CJTSNSUJNBAHRY-MRXNPFEDSA-N 1 3 318.465 2.505 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000358722943 428640666 /nfs/dbraw/zinc/64/06/66/428640666.db2.gz LKWZEJBIGSLATK-BWPNAZKDSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H](NCC1=CCCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000348213932 428661034 /nfs/dbraw/zinc/66/10/34/428661034.db2.gz JOZOQICBTKOBCB-HNNXBMFYSA-N 1 3 304.434 2.624 20 0 DFADHO C[C@H]([NH2+]CC1=CCCOC1)c1ccc(OCCN(C)C)cc1 ZINC000348213932 428661038 /nfs/dbraw/zinc/66/10/38/428661038.db2.gz JOZOQICBTKOBCB-HNNXBMFYSA-N 1 3 304.434 2.624 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000167481061 274339834 /nfs/dbraw/zinc/33/98/34/274339834.db2.gz CQXJHWSMZOMVMV-UMPJEAMMSA-N 1 3 323.431 2.862 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000167481061 274339835 /nfs/dbraw/zinc/33/98/35/274339835.db2.gz CQXJHWSMZOMVMV-UMPJEAMMSA-N 1 3 323.431 2.862 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000358774967 428670004 /nfs/dbraw/zinc/67/00/04/428670004.db2.gz OEAHSGFGNKTALJ-FHLIZLRMSA-N 1 3 316.493 2.900 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000358774967 428670009 /nfs/dbraw/zinc/67/00/09/428670009.db2.gz OEAHSGFGNKTALJ-FHLIZLRMSA-N 1 3 316.493 2.900 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000362252237 428674708 /nfs/dbraw/zinc/67/47/08/428674708.db2.gz WIAPZLNKQFAEHL-HOTGVXAUSA-N 1 3 310.482 2.915 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000362252237 428674713 /nfs/dbraw/zinc/67/47/13/428674713.db2.gz WIAPZLNKQFAEHL-HOTGVXAUSA-N 1 3 310.482 2.915 20 0 DFADHO CN(C)Cc1cccc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1 ZINC000416333055 428719745 /nfs/dbraw/zinc/71/97/45/428719745.db2.gz JREZRGNXLDYNRE-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO CCCN1CCC([NH2+]Cc2ccc(C[S@](C)=O)cc2)CC1 ZINC000353818352 428732180 /nfs/dbraw/zinc/73/21/80/428732180.db2.gz PAIZSIJVEOPQHD-NRFANRHFSA-N 1 3 308.491 2.529 20 0 DFADHO CCN1CCCC[C@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416163551 428680485 /nfs/dbraw/zinc/68/04/85/428680485.db2.gz YFPXUXRXKQLWHU-ZWKOTPCHSA-N 1 3 317.477 2.670 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348262030 428681469 /nfs/dbraw/zinc/68/14/69/428681469.db2.gz HZDZAOSDNFLQQH-UXHICEINSA-N 1 3 315.505 2.797 20 0 DFADHO CCC[N@H+](CC)CCNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416171582 428681703 /nfs/dbraw/zinc/68/17/03/428681703.db2.gz RBPJNSMPFLZXJP-KRWDZBQOSA-N 1 3 305.466 2.528 20 0 DFADHO CCC[N@@H+](CC)CCNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416171582 428681708 /nfs/dbraw/zinc/68/17/08/428681708.db2.gz RBPJNSMPFLZXJP-KRWDZBQOSA-N 1 3 305.466 2.528 20 0 DFADHO C1C[C@@]2(CO1)C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)CCO2 ZINC000374525989 428693540 /nfs/dbraw/zinc/69/35/40/428693540.db2.gz DGCCLWYYPLLKDO-MJGOQNOKSA-N 1 3 322.493 2.711 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416232674 428695643 /nfs/dbraw/zinc/69/56/43/428695643.db2.gz GLKOECDYALDUEP-FUHWJXTLSA-N 1 3 319.493 2.916 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416232674 428695646 /nfs/dbraw/zinc/69/56/46/428695646.db2.gz GLKOECDYALDUEP-FUHWJXTLSA-N 1 3 319.493 2.916 20 0 DFADHO CC(CCN1CCOCC1(C)C)CC[N@@H+]1CCOCC1(C)C ZINC000411184003 428753133 /nfs/dbraw/zinc/75/31/33/428753133.db2.gz JYBIZWXCRJRQOJ-UHFFFAOYSA-N 1 3 312.498 2.624 20 0 DFADHO CC(CCN1CCOCC1(C)C)CC[N@H+]1CCOCC1(C)C ZINC000411184003 428753136 /nfs/dbraw/zinc/75/31/36/428753136.db2.gz JYBIZWXCRJRQOJ-UHFFFAOYSA-N 1 3 312.498 2.624 20 0 DFADHO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000353941251 428787480 /nfs/dbraw/zinc/78/74/80/428787480.db2.gz FTNNBRLSJNTRGQ-IEBWSBKVSA-N 1 3 320.477 2.922 20 0 DFADHO C[C@@H]1C[C@H]1CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000348561783 428788039 /nfs/dbraw/zinc/78/80/39/428788039.db2.gz YAOQXGCLVUDRDA-YZGWKJHDSA-N 1 3 313.489 2.535 20 0 DFADHO C[C@@H]1C[C@H]1CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000348561783 428788044 /nfs/dbraw/zinc/78/80/44/428788044.db2.gz YAOQXGCLVUDRDA-YZGWKJHDSA-N 1 3 313.489 2.535 20 0 DFADHO CC[C@@H]1C[N@H+](Cc2cccc(CN3CCCCC3)c2)C[C@H]1O ZINC000411424757 428797760 /nfs/dbraw/zinc/79/77/60/428797760.db2.gz NQEVYSYXPWYKJI-RTBURBONSA-N 1 3 302.462 2.875 20 0 DFADHO CC[C@@H]1C[N@@H+](Cc2cccc(CN3CCCCC3)c2)C[C@H]1O ZINC000411424757 428797764 /nfs/dbraw/zinc/79/77/64/428797764.db2.gz NQEVYSYXPWYKJI-RTBURBONSA-N 1 3 302.462 2.875 20 0 DFADHO CC[C@@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000411424757 428797771 /nfs/dbraw/zinc/79/77/71/428797771.db2.gz NQEVYSYXPWYKJI-RTBURBONSA-N 1 3 302.462 2.875 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc(C)cc2C)CC1 ZINC000411454894 428801093 /nfs/dbraw/zinc/80/10/93/428801093.db2.gz ZNUHQOHJMYFHHO-INIZCTEOSA-N 1 3 317.477 2.555 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000411484316 428805763 /nfs/dbraw/zinc/80/57/63/428805763.db2.gz DTCBQAXUQCAOJV-BPQIPLTHSA-N 1 3 323.525 2.637 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)N(C)C ZINC000362806357 428806841 /nfs/dbraw/zinc/80/68/41/428806841.db2.gz NHHUAUPTOYIPCI-AEFFLSMTSA-N 1 3 303.494 2.827 20 0 DFADHO CC[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1cccs1 ZINC000411514543 428807436 /nfs/dbraw/zinc/80/74/36/428807436.db2.gz RZQNMNLXSXRINZ-OAHLLOKOSA-N 1 3 323.506 2.778 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359117263 428825496 /nfs/dbraw/zinc/82/54/96/428825496.db2.gz SFRMQAJNIVDHAN-DFQSSKMNSA-N 1 3 315.505 2.971 20 0 DFADHO COCCCN(CCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411615670 428825689 /nfs/dbraw/zinc/82/56/89/428825689.db2.gz RUZJMEWVXDZHSX-UHFFFAOYSA-N 1 3 320.477 2.503 20 0 DFADHO C[NH+](C)CCOCCNCc1ccc(-c2c(F)cccc2F)o1 ZINC000354189212 428906763 /nfs/dbraw/zinc/90/67/63/428906763.db2.gz HDOQBPOAPAEVMH-UHFFFAOYSA-N 1 3 324.371 2.893 20 0 DFADHO C[C@@H]1C[C@@H]1c1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000349059421 428908740 /nfs/dbraw/zinc/90/87/40/428908740.db2.gz BMDHZSGKWGWSHM-QAPCUYQASA-N 1 3 319.493 2.861 20 0 DFADHO CC1(C)C[C@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CO1 ZINC000417893144 428870425 /nfs/dbraw/zinc/87/04/25/428870425.db2.gz DVZLZNCQJVWEIS-MSOLQXFVSA-N 1 3 302.462 2.708 20 0 DFADHO CC1(C)C[C@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000417893144 428870428 /nfs/dbraw/zinc/87/04/28/428870428.db2.gz DVZLZNCQJVWEIS-MSOLQXFVSA-N 1 3 302.462 2.708 20 0 DFADHO OC[C@]1(Cc2ccccc2)CCCN1CCC[NH+]1CCCC1 ZINC000375470847 428891226 /nfs/dbraw/zinc/89/12/26/428891226.db2.gz QRSNWZYKARHHTQ-LJQANCHMSA-N 1 3 302.462 2.542 20 0 DFADHO CN1CC[NH+](C[C@@H]2CCCN(c3ccnc4ccccc43)C2)CC1 ZINC000363406042 428911582 /nfs/dbraw/zinc/91/15/82/428911582.db2.gz KQIZKHKVESQGTH-KRWDZBQOSA-N 1 3 324.472 2.699 20 0 DFADHO C[N@@H+]1CCC[C@]2(CCN(Cc3cc(-n4ccnc4)cs3)C2)C1 ZINC000354176759 428899146 /nfs/dbraw/zinc/89/91/46/428899146.db2.gz LTYHDROLAULHOI-KRWDZBQOSA-N 1 3 316.474 2.852 20 0 DFADHO C[N@H+]1CCC[C@]2(CCN(Cc3cc(-n4ccnc4)cs3)C2)C1 ZINC000354176759 428899150 /nfs/dbraw/zinc/89/91/50/428899150.db2.gz LTYHDROLAULHOI-KRWDZBQOSA-N 1 3 316.474 2.852 20 0 DFADHO Cc1cc(CNCCOCC[NH+](C)C)c(OC(F)F)cc1C ZINC000354186270 428905508 /nfs/dbraw/zinc/90/55/08/428905508.db2.gz HQFSISKBIXSIHK-UHFFFAOYSA-N 1 3 316.392 2.573 20 0 DFADHO C[NH+](C)CCOCCNCc1cccc(OC2CCCC2)c1 ZINC000354208713 428918434 /nfs/dbraw/zinc/91/84/34/428918434.db2.gz WMXMSVSBWPUWTQ-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H](C)N1CCCCCC1 ZINC000359322120 428920414 /nfs/dbraw/zinc/92/04/14/428920414.db2.gz NCCPRPCLPVDCMR-SJORKVTESA-N 1 3 309.498 2.632 20 0 DFADHO CCOC(=O)c1coc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000349195593 428937083 /nfs/dbraw/zinc/93/70/83/428937083.db2.gz SUDVMZUIJJZLSO-OAHLLOKOSA-N 1 3 320.433 2.620 20 0 DFADHO COC(=O)[C@@H](C)C[N@@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000375673341 428938679 /nfs/dbraw/zinc/93/86/79/428938679.db2.gz FPODCWWEHKMPFV-WMZOPIPTSA-N 1 3 318.461 2.782 20 0 DFADHO COC(=O)[C@@H](C)C[N@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000375673341 428938683 /nfs/dbraw/zinc/93/86/83/428938683.db2.gz FPODCWWEHKMPFV-WMZOPIPTSA-N 1 3 318.461 2.782 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)[C@@H]2CCC[C@H]21 ZINC000375788564 428971885 /nfs/dbraw/zinc/97/18/85/428971885.db2.gz JAYQVJDCYSWUNS-MELADBBJSA-N 1 3 311.376 2.645 20 0 DFADHO Nc1cc(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000420314877 428956779 /nfs/dbraw/zinc/95/67/79/428956779.db2.gz RBMWCIZJXSZDAL-RTBURBONSA-N 1 3 324.472 2.836 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@@H](O)c1cccc(Cl)c1)C2 ZINC000375765433 428966050 /nfs/dbraw/zinc/96/60/50/428966050.db2.gz VTGCRJHMPGGQGC-FCLJQHQZSA-N 1 3 308.853 2.930 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@@H](O)c1cccc(Cl)c1)C2 ZINC000375765433 428966051 /nfs/dbraw/zinc/96/60/51/428966051.db2.gz VTGCRJHMPGGQGC-FCLJQHQZSA-N 1 3 308.853 2.930 20 0 DFADHO COc1cc(C)c(C[C@@H](C)[NH2+][C@H]2CCCCNC2)cc1OC ZINC000423549680 428972389 /nfs/dbraw/zinc/97/23/89/428972389.db2.gz HYRUPKFWABMTPE-ZBFHGGJFSA-N 1 3 306.450 2.675 20 0 DFADHO Cc1ccc(CCN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000363681211 428968627 /nfs/dbraw/zinc/96/86/27/428968627.db2.gz USHFLCGTBSHARH-GOSISDBHSA-N 1 3 315.505 2.638 20 0 DFADHO Cc1ccc(CCN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000363681211 428968634 /nfs/dbraw/zinc/96/86/34/428968634.db2.gz USHFLCGTBSHARH-GOSISDBHSA-N 1 3 315.505 2.638 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCCNC2)c(C)c1OC ZINC000423545871 428968726 /nfs/dbraw/zinc/96/87/26/428968726.db2.gz DXCJSRHSUAPKHG-CZUORRHYSA-N 1 3 306.450 2.675 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCCCNC2)cc1OC ZINC000423549679 428970929 /nfs/dbraw/zinc/97/09/29/428970929.db2.gz HYRUPKFWABMTPE-HOCLYGCPSA-N 1 3 306.450 2.675 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H](C[NH3+])c2ccccc2)c1 ZINC000423792839 429020902 /nfs/dbraw/zinc/02/09/02/429020902.db2.gz WEUXUNSITOEZAS-GOSISDBHSA-N 1 3 311.429 2.738 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000423797558 429022397 /nfs/dbraw/zinc/02/23/97/429022397.db2.gz HXVLVSPADVOSPO-JQHSSLGASA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000423797558 429022402 /nfs/dbraw/zinc/02/24/02/429022402.db2.gz HXVLVSPADVOSPO-JQHSSLGASA-N 1 3 317.477 2.559 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@@H](C)C2 ZINC000180078187 274773849 /nfs/dbraw/zinc/77/38/49/274773849.db2.gz RXUSROOQZHDMNW-JXFKEZNVSA-N 1 3 315.505 2.844 20 0 DFADHO CN(C)[C@H](CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000433360438 429027626 /nfs/dbraw/zinc/02/76/26/429027626.db2.gz FZHWRKWGMDLPJN-KZNAEPCWSA-N 1 3 317.477 2.668 20 0 DFADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccco1 ZINC000423574408 428974309 /nfs/dbraw/zinc/97/43/09/428974309.db2.gz PKOQMPZPVKIDSW-INIZCTEOSA-N 1 3 313.445 2.924 20 0 DFADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)N[C@H]1CCCc2ccccc21 ZINC000433492938 429033740 /nfs/dbraw/zinc/03/37/40/429033740.db2.gz HHKHKJAKARNSBQ-PKOBYXMFSA-N 1 3 317.477 2.533 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000363779703 428990460 /nfs/dbraw/zinc/99/04/60/428990460.db2.gz AYINQAGQQBVCJL-OXFYSEKESA-N 1 3 313.489 2.678 20 0 DFADHO Cc1cccc(N2CCC([NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)CC2)n1 ZINC000363791592 428994581 /nfs/dbraw/zinc/99/45/81/428994581.db2.gz TXPNALLYMJSDBD-YXJHDRRASA-N 1 3 316.493 2.677 20 0 DFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)[C@@H]1C ZINC000354579104 429000110 /nfs/dbraw/zinc/00/01/10/429000110.db2.gz UECZTDNAXMKEKI-VNHYZAJKSA-N 1 3 310.482 2.863 20 0 DFADHO C[NH+](C)CC1CCC(NC(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000423752275 429009604 /nfs/dbraw/zinc/00/96/04/429009604.db2.gz VXYKFTYJHAACIJ-JCYILVPMSA-N 1 3 309.498 2.521 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000423749124 429009786 /nfs/dbraw/zinc/00/97/86/429009786.db2.gz VJKHDSNUOQRHRN-LJQANCHMSA-N 1 3 317.477 2.629 20 0 DFADHO CC(C)CN(C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000423763913 429011842 /nfs/dbraw/zinc/01/18/42/429011842.db2.gz SCHFNRKHFQRMNC-SJORKVTESA-N 1 3 323.525 2.591 20 0 DFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H](N)CC1CCCCC1 ZINC000423453029 429090386 /nfs/dbraw/zinc/09/03/86/429090386.db2.gz ZXQGOIOHRXUNOD-DLBZAZTESA-N 1 3 309.498 2.617 20 0 DFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H](N)CC1CCCCC1 ZINC000423453029 429090389 /nfs/dbraw/zinc/09/03/89/429090389.db2.gz ZXQGOIOHRXUNOD-DLBZAZTESA-N 1 3 309.498 2.617 20 0 DFADHO C[C@@H]1C[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CN1C1CC1 ZINC000424138975 429097787 /nfs/dbraw/zinc/09/77/87/429097787.db2.gz CTWDVHAKBMWYCZ-DJIMGWMZSA-N 1 3 321.509 2.806 20 0 DFADHO C[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000423476128 429095315 /nfs/dbraw/zinc/09/53/15/429095315.db2.gz QPYIJQZVOCOVAR-PLYYQAHHSA-N 1 3 306.425 2.676 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000423476128 429095319 /nfs/dbraw/zinc/09/53/19/429095319.db2.gz QPYIJQZVOCOVAR-PLYYQAHHSA-N 1 3 306.425 2.676 20 0 DFADHO COC1([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000421844933 429039072 /nfs/dbraw/zinc/03/90/72/429039072.db2.gz PCIKPIGVBQKPGS-BBWFWOEESA-N 1 3 312.498 2.813 20 0 DFADHO COC[C@@H]1CCCCN1C/C=C/C[N@@H+]1CCCC[C@H]1COC ZINC000452043304 429042238 /nfs/dbraw/zinc/04/22/38/429042238.db2.gz VFDNMLLJHVKAOM-VUOWKATKSA-N 1 3 310.482 2.544 20 0 DFADHO COC[C@@H]1CCCCN1C/C=C/C[N@H+]1CCCC[C@H]1COC ZINC000452043304 429042243 /nfs/dbraw/zinc/04/22/43/429042243.db2.gz VFDNMLLJHVKAOM-VUOWKATKSA-N 1 3 310.482 2.544 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H](C)[NH3+] ZINC000423299927 429060282 /nfs/dbraw/zinc/06/02/82/429060282.db2.gz CSVMGQOEMALCIP-DZKIICNBSA-N 1 3 323.506 2.621 20 0 DFADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423303377 429060707 /nfs/dbraw/zinc/06/07/07/429060707.db2.gz WYVZRXWAIWSNEZ-VHSXEESVSA-N 1 3 318.202 2.537 20 0 DFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423335826 429067479 /nfs/dbraw/zinc/06/74/79/429067479.db2.gz XKGDGUFQMLXVRX-SJORKVTESA-N 1 3 317.477 2.655 20 0 DFADHO Cc1c([C@H](C)NCCCC[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000423337504 429068084 /nfs/dbraw/zinc/06/80/84/429068084.db2.gz RAPPQNKOMKIXOH-NSHDSACASA-N 1 3 307.829 2.619 20 0 DFADHO CCOC(=O)c1oc2c(c1C)[C@@H](NCC1=CC[NH2+]CC1)CCC2 ZINC000423338078 429068365 /nfs/dbraw/zinc/06/83/65/429068365.db2.gz ASBISUVZSYJFEE-AWEZNQCLSA-N 1 3 318.417 2.651 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@]2(C)CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000423343598 429069286 /nfs/dbraw/zinc/06/92/86/429069286.db2.gz XACXHDQBMOOVMV-NEWSRXKRSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@H](Cc1ccc(F)cc1Br)NC[C@H]1CC[NH2+]C1 ZINC000423345964 429070694 /nfs/dbraw/zinc/07/06/94/429070694.db2.gz PHAZWQZSUBVJMT-MNOVXSKESA-N 1 3 315.230 2.718 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+]C[C@]2(C)CCCNC2)cc1OC ZINC000423351919 429070709 /nfs/dbraw/zinc/07/07/09/429070709.db2.gz ZVAWSDZHUMTSGQ-HNAYVOBHSA-N 1 3 320.477 2.923 20 0 DFADHO COc1cc(C)c(C[C@H](C)NC[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000423351919 429070713 /nfs/dbraw/zinc/07/07/13/429070713.db2.gz ZVAWSDZHUMTSGQ-HNAYVOBHSA-N 1 3 320.477 2.923 20 0 DFADHO C[NH+](C)CC1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423344313 429070740 /nfs/dbraw/zinc/07/07/40/429070740.db2.gz XPJOTECUDPDUGX-KRWDZBQOSA-N 1 3 317.477 2.513 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(c2ccc(F)cc2F)CC1 ZINC000423362603 429071503 /nfs/dbraw/zinc/07/15/03/429071503.db2.gz NCTQODJOEKQOAB-MLGOLLRUSA-N 1 3 309.404 2.521 20 0 DFADHO Brc1ccc2c(c1)[C@@H](NCC1=CC[NH2+]CC1)CC2 ZINC000423356344 429071912 /nfs/dbraw/zinc/07/19/12/429071912.db2.gz QLYKTJDXDCCHAK-HNNXBMFYSA-N 1 3 307.235 2.946 20 0 DFADHO CC(C)[C@H](C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)[C@@H](C)[NH3+] ZINC000423357495 429072875 /nfs/dbraw/zinc/07/28/75/429072875.db2.gz IEOKXZRUSDOPHO-AHCXZYCDSA-N 1 3 317.477 2.558 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423369490 429075365 /nfs/dbraw/zinc/07/53/65/429075365.db2.gz DWUOSZBURNWCNK-IACUBPJLSA-N 1 3 301.434 2.837 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423397454 429078812 /nfs/dbraw/zinc/07/88/12/429078812.db2.gz SWLHKFYYCHKMRS-IERDGZPVSA-N 1 3 321.468 2.900 20 0 DFADHO CC1(C)CCCN[C@@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000423404506 429081041 /nfs/dbraw/zinc/08/10/41/429081041.db2.gz IUEBBOUBHBPRGN-MRXNPFEDSA-N 1 3 309.498 2.537 20 0 DFADHO CCC[N@H+](CC)CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423433184 429087897 /nfs/dbraw/zinc/08/78/97/429087897.db2.gz MZNJMTDPJIEIJF-INIZCTEOSA-N 1 3 305.466 2.561 20 0 DFADHO CCC[N@@H+](CC)CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423433184 429087899 /nfs/dbraw/zinc/08/78/99/429087899.db2.gz MZNJMTDPJIEIJF-INIZCTEOSA-N 1 3 305.466 2.561 20 0 DFADHO COc1cc2nccc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)c2cc1OC ZINC000413155895 429150566 /nfs/dbraw/zinc/15/05/66/429150566.db2.gz DEBISQVIXFQRIF-STQMWFEESA-N 1 3 315.417 2.569 20 0 DFADHO COc1cc2nccc(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2cc1OC ZINC000413155895 429150569 /nfs/dbraw/zinc/15/05/69/429150569.db2.gz DEBISQVIXFQRIF-STQMWFEESA-N 1 3 315.417 2.569 20 0 DFADHO CCN(CCC(=O)Nc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435626420 429154821 /nfs/dbraw/zinc/15/48/21/429154821.db2.gz OKERPFADDVFCRF-INIZCTEOSA-N 1 3 307.413 2.618 20 0 DFADHO CC[N@H+](CCC(=O)Nc1cccc(F)c1)[C@H]1CCCNCC1 ZINC000435626420 429154826 /nfs/dbraw/zinc/15/48/26/429154826.db2.gz OKERPFADDVFCRF-INIZCTEOSA-N 1 3 307.413 2.618 20 0 DFADHO CC[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@H]1CCCNCC1 ZINC000435626420 429154833 /nfs/dbraw/zinc/15/48/33/429154833.db2.gz OKERPFADDVFCRF-INIZCTEOSA-N 1 3 307.413 2.618 20 0 DFADHO CCN(CCC(=O)NCC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435630206 429155716 /nfs/dbraw/zinc/15/57/16/429155716.db2.gz WJNISOWUPODLIR-KRWDZBQOSA-N 1 3 309.498 2.537 20 0 DFADHO CC[N@H+](CCC(=O)NCC1CCCCC1)[C@H]1CCCNCC1 ZINC000435630206 429155720 /nfs/dbraw/zinc/15/57/20/429155720.db2.gz WJNISOWUPODLIR-KRWDZBQOSA-N 1 3 309.498 2.537 20 0 DFADHO CC[N@@H+](CCC(=O)NCC1CCCCC1)[C@H]1CCCNCC1 ZINC000435630206 429155722 /nfs/dbraw/zinc/15/57/22/429155722.db2.gz WJNISOWUPODLIR-KRWDZBQOSA-N 1 3 309.498 2.537 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CNCCCO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423493961 429099736 /nfs/dbraw/zinc/09/97/36/429099736.db2.gz RLMUTWHGUOZGFX-QNWHQSFQSA-N 1 3 314.882 2.862 20 0 DFADHO C[C@H](NC[C@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423493961 429099738 /nfs/dbraw/zinc/09/97/38/429099738.db2.gz RLMUTWHGUOZGFX-QNWHQSFQSA-N 1 3 314.882 2.862 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@H](C[NH3+])C1CCCC1 ZINC000423504502 429101297 /nfs/dbraw/zinc/10/12/97/429101297.db2.gz GSTOFNFBVSLKIB-RHSMWYFYSA-N 1 3 303.450 2.535 20 0 DFADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H](C)[C@](C)(CN)C2)CN1Cc1ccccc1 ZINC000423508262 429104068 /nfs/dbraw/zinc/10/40/68/429104068.db2.gz KOKBRWAMZHNHBN-UKBAYJJMSA-N 1 3 301.478 2.566 20 0 DFADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H](C)[C@](C)(CN)C2)CN1Cc1ccccc1 ZINC000423508262 429104072 /nfs/dbraw/zinc/10/40/72/429104072.db2.gz KOKBRWAMZHNHBN-UKBAYJJMSA-N 1 3 301.478 2.566 20 0 DFADHO C[C@H]([C@@H]1CCN(Cc2ccccc2)C1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423508253 429104197 /nfs/dbraw/zinc/10/41/97/429104197.db2.gz KNXMTTWNYULCMN-HNBVOPMISA-N 1 3 315.505 2.814 20 0 DFADHO C[C@H]([C@@H]1CCN(Cc2ccccc2)C1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423508253 429104199 /nfs/dbraw/zinc/10/41/99/429104199.db2.gz KNXMTTWNYULCMN-HNBVOPMISA-N 1 3 315.505 2.814 20 0 DFADHO C[C@@H]1C[N@@H+]([C@H]2CCCN(Cc3ccccc3)[C@@H]2C)C[C@@]1(C)CN ZINC000423507374 429104508 /nfs/dbraw/zinc/10/45/08/429104508.db2.gz JSXLSWSVAQWXIT-IZBJGVDFSA-N 1 3 315.505 2.956 20 0 DFADHO C[C@@H]1C[N@H+]([C@H]2CCCN(Cc3ccccc3)[C@@H]2C)C[C@@]1(C)CN ZINC000423507374 429104512 /nfs/dbraw/zinc/10/45/12/429104512.db2.gz JSXLSWSVAQWXIT-IZBJGVDFSA-N 1 3 315.505 2.956 20 0 DFADHO CCO[C@@H]1C[C@@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)[C@@H]1Oc1ccccc1 ZINC000423516424 429106301 /nfs/dbraw/zinc/10/63/01/429106301.db2.gz WVLCWBKHQCYFLT-RXABAKJHSA-N 1 3 318.461 2.528 20 0 DFADHO CCO[C@@H]1C[C@@H]([N@@H+]2C[C@@H](C)[C@](C)(CN)C2)[C@@H]1Oc1ccccc1 ZINC000423516424 429106306 /nfs/dbraw/zinc/10/63/06/429106306.db2.gz WVLCWBKHQCYFLT-RXABAKJHSA-N 1 3 318.461 2.528 20 0 DFADHO CCO[C@@H]1C[C@@H]([N@H+]2C[C@@H](C)[C@](C)(CN)C2)[C@@H]1Oc1ccccc1 ZINC000423516424 429106307 /nfs/dbraw/zinc/10/63/07/429106307.db2.gz WVLCWBKHQCYFLT-RXABAKJHSA-N 1 3 318.461 2.528 20 0 DFADHO C[C@@H](c1cccc(N2CCCC2=O)c1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423518166 429106411 /nfs/dbraw/zinc/10/64/11/429106411.db2.gz YXBQOEUZRWJZLY-ZRGWGRIASA-N 1 3 315.461 2.791 20 0 DFADHO C[C@@H](c1cccc(N2CCCC2=O)c1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423518166 429106415 /nfs/dbraw/zinc/10/64/15/429106415.db2.gz YXBQOEUZRWJZLY-ZRGWGRIASA-N 1 3 315.461 2.791 20 0 DFADHO C[C@@H](c1cccc(N2CCCC2=O)c1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423518166 429106420 /nfs/dbraw/zinc/10/64/20/429106420.db2.gz YXBQOEUZRWJZLY-ZRGWGRIASA-N 1 3 315.461 2.791 20 0 DFADHO CCO[C@@H]1C[C@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)[C@H]1Oc1ccccc1 ZINC000423516423 429107005 /nfs/dbraw/zinc/10/70/05/429107005.db2.gz WVLCWBKHQCYFLT-RSRPTUBKSA-N 1 3 318.461 2.528 20 0 DFADHO CCO[C@@H]1C[C@H]([N@@H+]2C[C@@H](C)[C@](C)(CN)C2)[C@H]1Oc1ccccc1 ZINC000423516423 429107010 /nfs/dbraw/zinc/10/70/10/429107010.db2.gz WVLCWBKHQCYFLT-RSRPTUBKSA-N 1 3 318.461 2.528 20 0 DFADHO CCO[C@@H]1C[C@H]([N@H+]2C[C@@H](C)[C@](C)(CN)C2)[C@H]1Oc1ccccc1 ZINC000423516423 429107015 /nfs/dbraw/zinc/10/70/15/429107015.db2.gz WVLCWBKHQCYFLT-RSRPTUBKSA-N 1 3 318.461 2.528 20 0 DFADHO Cc1ccc([C@@H](NC[C@H]2C[NH2+]CCN2C)C2CCCC2)cc1 ZINC000423522873 429109361 /nfs/dbraw/zinc/10/93/61/429109361.db2.gz RXGKEHOWSRQVNG-MOPGFXCFSA-N 1 3 301.478 2.720 20 0 DFADHO CCc1ccc(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424285565 429119671 /nfs/dbraw/zinc/11/96/71/429119671.db2.gz FWBZYRPENDSOSX-HNNXBMFYSA-N 1 3 315.461 2.652 20 0 DFADHO CCc1cccc(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424283812 429119867 /nfs/dbraw/zinc/11/98/67/429119867.db2.gz CGLLYVPMJFHJJL-HNNXBMFYSA-N 1 3 315.461 2.652 20 0 DFADHO CC(=O)c1ccccc1OCCN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424292977 429121002 /nfs/dbraw/zinc/12/10/02/429121002.db2.gz PBXMTCHCSYSZNJ-OAHLLOKOSA-N 1 3 316.445 2.732 20 0 DFADHO C[C@H]1CC2(CN1Cc1nc3cccnc3s1)CC[NH2+]CC2 ZINC000424295963 429121428 /nfs/dbraw/zinc/12/14/28/429121428.db2.gz RTQIIZIZKORHBH-LBPRGKRZSA-N 1 3 302.447 2.655 20 0 DFADHO Cc1ccc(C)c(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424302562 429122877 /nfs/dbraw/zinc/12/28/77/429122877.db2.gz ZXFMTWWORBCIMT-MRXNPFEDSA-N 1 3 315.461 2.706 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1C ZINC000435130026 429125230 /nfs/dbraw/zinc/12/52/30/429125230.db2.gz PKHVJSVMOABZJL-UONOGXRCSA-N 1 3 302.422 2.974 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1C ZINC000435130026 429125234 /nfs/dbraw/zinc/12/52/34/429125234.db2.gz PKHVJSVMOABZJL-UONOGXRCSA-N 1 3 302.422 2.974 20 0 DFADHO COC(=O)CC1CC(NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000424351023 429130439 /nfs/dbraw/zinc/13/04/39/429130439.db2.gz OWFALUAYIZKYBF-VMBOVVBDSA-N 1 3 308.466 2.715 20 0 DFADHO COC(=O)CC1CC(NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000424351023 429130441 /nfs/dbraw/zinc/13/04/41/429130441.db2.gz OWFALUAYIZKYBF-VMBOVVBDSA-N 1 3 308.466 2.715 20 0 DFADHO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1OC(F)F ZINC000424389128 429132778 /nfs/dbraw/zinc/13/27/78/429132778.db2.gz ZZPQLQGVJCVLCL-VXGBXAGGSA-N 1 3 300.349 2.656 20 0 DFADHO C[C@@H]1CC2(CN1Cc1cnc3ccc(Cl)cn13)CC[NH2+]CC2 ZINC000424381174 429133306 /nfs/dbraw/zinc/13/33/06/429133306.db2.gz QPJJXRYQUWZEMH-CYBMUJFWSA-N 1 3 318.852 2.952 20 0 DFADHO CCC1(CC)[C@H](NCc2cc(C3CC[NH2+]CC3)no2)C[C@H]1OC ZINC000424379875 429133512 /nfs/dbraw/zinc/13/35/12/429133512.db2.gz PKFHDJJJWQCMFM-IAGOWNOFSA-N 1 3 321.465 2.825 20 0 DFADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OCc2cccnc2)cc1 ZINC000435376564 429135983 /nfs/dbraw/zinc/13/59/83/429135983.db2.gz RQKKVSFMKWVPAM-YJBOKZPZSA-N 1 3 311.429 2.830 20 0 DFADHO C[C@@H](C[C@H](C)[NH2+]CCCN1CCCC1)NC(=O)OC(C)(C)C ZINC000494659624 429140195 /nfs/dbraw/zinc/14/01/95/429140195.db2.gz QMBMEMUFMLMURG-GJZGRUSLSA-N 1 3 313.486 2.754 20 0 DFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@]1(C)c1cccs1 ZINC000364055693 429164926 /nfs/dbraw/zinc/16/49/26/429164926.db2.gz JKSNESRBXFLJEX-VBQJREDUSA-N 1 3 320.506 2.624 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCNC)[C@@H]2CCCC[C@@H]12 ZINC000435873147 429169308 /nfs/dbraw/zinc/16/93/08/429169308.db2.gz BKETXGNSQBKDHM-NNPSNHGLSA-N 1 3 323.525 2.780 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCNC)[C@@H]2CCCC[C@@H]12 ZINC000435873147 429169311 /nfs/dbraw/zinc/16/93/11/429169311.db2.gz BKETXGNSQBKDHM-NNPSNHGLSA-N 1 3 323.525 2.780 20 0 DFADHO COc1cccc2c1CC[C@H](N[C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000365251487 429286091 /nfs/dbraw/zinc/28/60/91/429286091.db2.gz XFUWTTLTOAOCMO-ULQDDVLXSA-N 1 3 300.446 2.769 20 0 DFADHO COc1cccc2c1CC[C@H](N[C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000365251487 429286095 /nfs/dbraw/zinc/28/60/95/429286095.db2.gz XFUWTTLTOAOCMO-ULQDDVLXSA-N 1 3 300.446 2.769 20 0 DFADHO COc1cccc2c1CC[C@H]([NH2+][C@H]1CCN3CCC[C@H]3C1)C2 ZINC000365251487 429286101 /nfs/dbraw/zinc/28/61/01/429286101.db2.gz XFUWTTLTOAOCMO-ULQDDVLXSA-N 1 3 300.446 2.769 20 0 DFADHO CCOc1cc2nccc(NC[C@@H](C)[NH+](C)C)c2cc1OCC ZINC000443426702 429249637 /nfs/dbraw/zinc/24/96/37/429249637.db2.gz KTQQHNILYZMPKC-CYBMUJFWSA-N 1 3 317.433 2.816 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000444148061 429266393 /nfs/dbraw/zinc/26/63/93/429266393.db2.gz AKIBOOCLCWNPAN-HNNXBMFYSA-N 1 3 321.440 2.736 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000444148061 429266397 /nfs/dbraw/zinc/26/63/97/429266397.db2.gz AKIBOOCLCWNPAN-HNNXBMFYSA-N 1 3 321.440 2.736 20 0 DFADHO CC(C)(C)OC(=O)NC1CC(N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000495842512 429278331 /nfs/dbraw/zinc/27/83/31/429278331.db2.gz WKVMLVSELMIWHZ-NFOMZHRRSA-N 1 3 323.481 2.649 20 0 DFADHO CC(C)(C)OC(=O)NC1CC(N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000495842512 429278336 /nfs/dbraw/zinc/27/83/36/429278336.db2.gz WKVMLVSELMIWHZ-NFOMZHRRSA-N 1 3 323.481 2.649 20 0 DFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCCc2cnccn2)C3)cc1 ZINC000365217614 429280966 /nfs/dbraw/zinc/28/09/66/429280966.db2.gz FQMCCILUUKQRAN-OWZKRDHZSA-N 1 3 322.456 2.804 20 0 DFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCCc2cnccn2)C3)cc1 ZINC000365217614 429280972 /nfs/dbraw/zinc/28/09/72/429280972.db2.gz FQMCCILUUKQRAN-OWZKRDHZSA-N 1 3 322.456 2.804 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CCC1 ZINC000449109433 429333926 /nfs/dbraw/zinc/33/39/26/429333926.db2.gz WSDVLCBOXGUSQO-LJQANCHMSA-N 1 3 316.493 2.762 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCCOC2)CC1 ZINC000449121459 429338913 /nfs/dbraw/zinc/33/89/13/429338913.db2.gz HURDSTYXXVIMNB-APWZRJJASA-N 1 3 302.462 2.851 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000449134206 429340365 /nfs/dbraw/zinc/34/03/65/429340365.db2.gz HNEYPLULCVCSIP-IJEWVQPXSA-N 1 3 323.506 2.635 20 0 DFADHO CC[C@@H](CN1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000506017419 429345152 /nfs/dbraw/zinc/34/51/52/429345152.db2.gz RMIUOZOJJQFJQP-IBGZPJMESA-N 1 3 315.505 2.894 20 0 DFADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000457118314 429408394 /nfs/dbraw/zinc/40/83/94/429408394.db2.gz MPNWKDUJNCCITD-SJLPKXTDSA-N 1 3 321.509 2.582 20 0 DFADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000457118314 429408398 /nfs/dbraw/zinc/40/83/98/429408398.db2.gz MPNWKDUJNCCITD-SJLPKXTDSA-N 1 3 321.509 2.582 20 0 DFADHO Cc1ccsc1CCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425896961 429351033 /nfs/dbraw/zinc/35/10/33/429351033.db2.gz RRWWYZJCCRLFQW-UHFFFAOYSA-N 1 3 305.447 2.844 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CCC1 ZINC000449236044 429363000 /nfs/dbraw/zinc/36/30/00/429363000.db2.gz WMAYLBRQAHZXBT-RTBURBONSA-N 1 3 302.462 2.922 20 0 DFADHO CN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000365782536 429372089 /nfs/dbraw/zinc/37/20/89/429372089.db2.gz DJGCLECLOXWVNY-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO CN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000365782536 429372094 /nfs/dbraw/zinc/37/20/94/429372094.db2.gz DJGCLECLOXWVNY-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+]CC2CC(F)(F)C2)CC1 ZINC000491581552 429376828 /nfs/dbraw/zinc/37/68/28/429376828.db2.gz NNYLAWOQEOPCBJ-UHFFFAOYSA-N 1 3 323.431 2.963 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cccc2ccoc21 ZINC000449326426 429388473 /nfs/dbraw/zinc/38/84/73/429388473.db2.gz VSBKXMRIGAJYIP-UHFFFAOYSA-N 1 3 315.461 2.891 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccc2ccoc21 ZINC000449326426 429388477 /nfs/dbraw/zinc/38/84/77/429388477.db2.gz VSBKXMRIGAJYIP-UHFFFAOYSA-N 1 3 315.461 2.891 20 0 DFADHO C[C@H](Cc1cnn(C)c1)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449582681 429456067 /nfs/dbraw/zinc/45/60/67/429456067.db2.gz GXHXVZUUOJSAOU-MDZRGWNJSA-N 1 3 318.509 2.984 20 0 DFADHO C[C@H](Cc1cnn(C)c1)[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000449582681 429456073 /nfs/dbraw/zinc/45/60/73/429456073.db2.gz GXHXVZUUOJSAOU-MDZRGWNJSA-N 1 3 318.509 2.984 20 0 DFADHO CC(C)N1CC[C@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000519524719 429462141 /nfs/dbraw/zinc/46/21/41/429462141.db2.gz VGQHFTOSOFEBNF-KRWDZBQOSA-N 1 3 309.498 2.582 20 0 DFADHO CC(C)N1CC[C@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000519524719 429462145 /nfs/dbraw/zinc/46/21/45/429462145.db2.gz VGQHFTOSOFEBNF-KRWDZBQOSA-N 1 3 309.498 2.582 20 0 DFADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCC(NC(C)=O)CC1 ZINC000427720277 429467856 /nfs/dbraw/zinc/46/78/56/429467856.db2.gz NFRNKXVRKIBUMO-LWSMDNFKSA-N 1 3 323.525 2.924 20 0 DFADHO COc1ccc(C[C@H](C)CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000427119740 429432496 /nfs/dbraw/zinc/43/24/96/429432496.db2.gz MFWSPELGOHPDNN-JLJPHGGASA-N 1 3 306.425 2.697 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000427871814 429475550 /nfs/dbraw/zinc/47/55/50/429475550.db2.gz IYUUABVJAIEPIT-SJORKVTESA-N 1 3 311.514 2.734 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000427871814 429475553 /nfs/dbraw/zinc/47/55/53/429475553.db2.gz IYUUABVJAIEPIT-SJORKVTESA-N 1 3 311.514 2.734 20 0 DFADHO OC[C@@]1(CNC2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000519733881 429482567 /nfs/dbraw/zinc/48/25/67/429482567.db2.gz MPDPZVURZVWQTF-PMACEKPBSA-N 1 3 314.473 2.617 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCC2)CCN1Cc1ccccc1 ZINC000520428176 429514320 /nfs/dbraw/zinc/51/43/20/429514320.db2.gz MYVCSRDKUCBEDB-IEBWSBKVSA-N 1 3 301.478 2.725 20 0 DFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCCN1C1CCCC1 ZINC000449810446 429515918 /nfs/dbraw/zinc/51/59/18/429515918.db2.gz LXVRZHUNBBCNHQ-NXHRZFHOSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCCN1C1CCCC1 ZINC000449810446 429515922 /nfs/dbraw/zinc/51/59/22/429515922.db2.gz LXVRZHUNBBCNHQ-NXHRZFHOSA-N 1 3 319.493 2.527 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)c1 ZINC000366977100 429551416 /nfs/dbraw/zinc/55/14/16/429551416.db2.gz LJZXIVGZBNXVGD-FUHWJXTLSA-N 1 3 315.461 2.870 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)c1 ZINC000366977100 429551419 /nfs/dbraw/zinc/55/14/19/429551419.db2.gz LJZXIVGZBNXVGD-FUHWJXTLSA-N 1 3 315.461 2.870 20 0 DFADHO CCN1CCC(NC(=O)C[N@H+](CCC(C)C)C2CCCC2)CC1 ZINC000521816076 429564337 /nfs/dbraw/zinc/56/43/37/429564337.db2.gz JFJPDRZFLVTLMQ-UHFFFAOYSA-N 1 3 323.525 2.878 20 0 DFADHO CCN1CCC(NC(=O)C[N@@H+](CCC(C)C)C2CCCC2)CC1 ZINC000521816076 429564340 /nfs/dbraw/zinc/56/43/40/429564340.db2.gz JFJPDRZFLVTLMQ-UHFFFAOYSA-N 1 3 323.525 2.878 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000367049866 429565451 /nfs/dbraw/zinc/56/54/51/429565451.db2.gz JVEJYWGPZBWXKK-SFHVURJKSA-N 1 3 318.461 2.676 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000428499785 429531817 /nfs/dbraw/zinc/53/18/17/429531817.db2.gz IYUUABVJAIEPIT-DLBZAZTESA-N 1 3 311.514 2.734 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000428499785 429531821 /nfs/dbraw/zinc/53/18/21/429531821.db2.gz IYUUABVJAIEPIT-DLBZAZTESA-N 1 3 311.514 2.734 20 0 DFADHO C[NH+]1CCC2(CCCN(C[C@@H](O)c3c(F)cccc3F)C2)CC1 ZINC000366916943 429540492 /nfs/dbraw/zinc/54/04/92/429540492.db2.gz YFZBXGLNVSCYGE-MRXNPFEDSA-N 1 3 324.415 2.806 20 0 DFADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000373459573 275913125 /nfs/dbraw/zinc/91/31/25/275913125.db2.gz MORRMPVTZXFSCF-JENIJYKNSA-N 1 3 305.510 2.737 20 0 DFADHO CCC[C@@H](C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)N(C)C ZINC000367189545 429593697 /nfs/dbraw/zinc/59/36/97/429593697.db2.gz ZOBYVHLPTRPSQC-VJFUWPCTSA-N 1 3 323.525 2.876 20 0 DFADHO CCC[C@H](C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)N(C)C ZINC000367189546 429593941 /nfs/dbraw/zinc/59/39/41/429593941.db2.gz ZOBYVHLPTRPSQC-VMWRSERWSA-N 1 3 323.525 2.876 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000523115931 429600755 /nfs/dbraw/zinc/60/07/55/429600755.db2.gz GAPDUMYSBYNUCQ-IXDOHACOSA-N 1 3 323.525 2.827 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000523115931 429600759 /nfs/dbraw/zinc/60/07/59/429600759.db2.gz GAPDUMYSBYNUCQ-IXDOHACOSA-N 1 3 323.525 2.827 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450340145 429605772 /nfs/dbraw/zinc/60/57/72/429605772.db2.gz UPOBZVYIJRXJLB-VQIMIIECSA-N 1 3 304.478 2.956 20 0 DFADHO CCc1ccc2nccc(N3CC[NH+]([C@H](CC)CO)CC3)c2c1 ZINC000450362741 429611103 /nfs/dbraw/zinc/61/11/03/429611103.db2.gz SINLJHWLYMBOEJ-MRXNPFEDSA-N 1 3 313.445 2.690 20 0 DFADHO CN1CCN(CCCC[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000525875010 429684033 /nfs/dbraw/zinc/68/40/33/429684033.db2.gz FLPOFNSETRXNCV-UHFFFAOYSA-N 1 3 313.848 2.596 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000133992249 276194629 /nfs/dbraw/zinc/19/46/29/276194629.db2.gz RQOJAEWRLQIWLE-MOPGFXCFSA-N 1 3 307.526 2.986 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2cc(F)cc3c2OCOC3)[C@H](C)C1 ZINC000120682165 276216780 /nfs/dbraw/zinc/21/67/80/276216780.db2.gz OOBVYWZZHLLPNP-CXAGYDPISA-N 1 3 322.424 2.555 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2cc(F)cc3c2OCOC3)[C@H](C)C1 ZINC000120682165 276216782 /nfs/dbraw/zinc/21/67/82/276216782.db2.gz OOBVYWZZHLLPNP-CXAGYDPISA-N 1 3 322.424 2.555 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3cccn3)cc2)[C@H]2CCC[C@@H]21 ZINC000367613080 429685914 /nfs/dbraw/zinc/68/59/14/429685914.db2.gz FEFPKNVSXQJIFX-AABGKKOBSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc(Cn3cccn3)cc2)[C@H]2CCC[C@@H]21 ZINC000367613080 429685920 /nfs/dbraw/zinc/68/59/20/429685920.db2.gz FEFPKNVSXQJIFX-AABGKKOBSA-N 1 3 324.472 2.894 20 0 DFADHO CCOC(=O)C1(C)CCC([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000354513295 276273393 /nfs/dbraw/zinc/27/33/93/276273393.db2.gz PNYXLKREVNTQDE-BNQMIIOLSA-N 1 3 310.482 2.961 20 0 DFADHO CN(CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Cc1ccc(F)cc1 ZINC000367617737 429686320 /nfs/dbraw/zinc/68/63/20/429686320.db2.gz REFKDWHUZHEHQY-QRVBRYPASA-N 1 3 319.468 2.720 20 0 DFADHO CN(CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)Cc1ccc(F)cc1 ZINC000367617737 429686324 /nfs/dbraw/zinc/68/63/24/429686324.db2.gz REFKDWHUZHEHQY-QRVBRYPASA-N 1 3 319.468 2.720 20 0 DFADHO CCC[C@H](C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)N(C)C ZINC000274596558 276282124 /nfs/dbraw/zinc/28/21/24/276282124.db2.gz LNQNKAZEOHOXMK-USXIJHARSA-N 1 3 305.466 2.524 20 0 DFADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000430591043 429699290 /nfs/dbraw/zinc/69/92/90/429699290.db2.gz JNONHGFIHWPAPJ-OAHLLOKOSA-N 1 3 311.857 2.974 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000271254542 276332130 /nfs/dbraw/zinc/33/21/30/276332130.db2.gz GGNGRCUBQFQSNX-VQTJNVASSA-N 1 3 315.505 2.925 20 0 DFADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[C@H](C)CCN2)c1 ZINC000262518113 276335062 /nfs/dbraw/zinc/33/50/62/276335062.db2.gz NTLCVYFHLJJCRI-RHSMWYFYSA-N 1 3 303.450 2.855 20 0 DFADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)Nc1ccc(Cl)cc1F ZINC000430580538 429697079 /nfs/dbraw/zinc/69/70/79/429697079.db2.gz RZDZMRMZJUZHNN-OAHLLOKOSA-N 1 3 315.820 2.771 20 0 DFADHO CCCN(C(=O)C[C@@H](C)[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000430689797 429709398 /nfs/dbraw/zinc/70/93/98/429709398.db2.gz BEBJGXPVAUEPAI-SJLPKXTDSA-N 1 3 317.477 2.627 20 0 DFADHO C[C@@H](CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000430748240 429714077 /nfs/dbraw/zinc/71/40/77/429714077.db2.gz PNUOWNIULKBGAC-NBOOPKSLSA-N 1 3 317.477 2.702 20 0 DFADHO C[C@@H](CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000430748240 429714082 /nfs/dbraw/zinc/71/40/82/429714082.db2.gz PNUOWNIULKBGAC-NBOOPKSLSA-N 1 3 317.477 2.702 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H](N)c2ccccc2)C[C@H]1C ZINC000430797351 429717343 /nfs/dbraw/zinc/71/73/43/429717343.db2.gz OMTBLZVFQZNEEQ-LMSBXDPUSA-N 1 3 317.477 2.654 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H](N)c2ccccc2)C[C@H]1C ZINC000430797351 429717347 /nfs/dbraw/zinc/71/73/47/429717347.db2.gz OMTBLZVFQZNEEQ-LMSBXDPUSA-N 1 3 317.477 2.654 20 0 DFADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000367810042 429721338 /nfs/dbraw/zinc/72/13/38/429721338.db2.gz MHSLMVIGXZEMTM-CQSZACIVSA-N 1 3 307.413 2.777 20 0 DFADHO NC1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCCC1 ZINC000431057859 429738256 /nfs/dbraw/zinc/73/82/56/429738256.db2.gz KECAZCVQJXXNNF-UHFFFAOYSA-N 1 3 315.461 2.925 20 0 DFADHO CN(CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000431047079 429738319 /nfs/dbraw/zinc/73/83/19/429738319.db2.gz WRTMSRHKVFQABW-MSOLQXFVSA-N 1 3 317.477 2.532 20 0 DFADHO C[N@H+](CCN1CCCCC1)CC1CCN(c2ccncc2)CC1 ZINC000367906496 429740929 /nfs/dbraw/zinc/74/09/29/429740929.db2.gz RDVLLDLQVJDJSQ-UHFFFAOYSA-N 1 3 316.493 2.716 20 0 DFADHO C[N@@H+](CCN1CCCCC1)CC1CCN(c2ccncc2)CC1 ZINC000367906496 429740931 /nfs/dbraw/zinc/74/09/31/429740931.db2.gz RDVLLDLQVJDJSQ-UHFFFAOYSA-N 1 3 316.493 2.716 20 0 DFADHO Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000367958553 429752015 /nfs/dbraw/zinc/75/20/15/429752015.db2.gz DPNPLVBLPOKZSY-HKUYNNGSSA-N 1 3 310.445 2.672 20 0 DFADHO Cc1n[nH]cc1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000367958553 429752017 /nfs/dbraw/zinc/75/20/17/429752017.db2.gz DPNPLVBLPOKZSY-HKUYNNGSSA-N 1 3 310.445 2.672 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]C/C=C\c2ccncc2)C[C@H](C)O1 ZINC000486940920 429755494 /nfs/dbraw/zinc/75/54/94/429755494.db2.gz QIIJCPKITOJCJR-YKZUCCNHSA-N 1 3 303.450 2.574 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@H]1CC1(C)C ZINC000486968776 429757567 /nfs/dbraw/zinc/75/75/67/429757567.db2.gz OOLZSPIMPICOCN-SJLPKXTDSA-N 1 3 316.493 2.618 20 0 DFADHO C[NH+]1CCC(CC(=O)NCCN2CC=C(C(C)(C)C)CC2)CC1 ZINC000487067875 429764327 /nfs/dbraw/zinc/76/43/27/429764327.db2.gz HPVKHSHRPYLSTQ-UHFFFAOYSA-N 1 3 321.509 2.513 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2[C@@H]1CCc2ccccc21 ZINC000368017759 429767309 /nfs/dbraw/zinc/76/73/09/429767309.db2.gz IDEBVVOVFCOFQH-NXWXRZEISA-N 1 3 300.446 2.857 20 0 DFADHO CC(C)N1CCC([NH2+]C[C@@]2(C)OCCc3sccc32)CC1 ZINC000368055325 429776219 /nfs/dbraw/zinc/77/62/19/429776219.db2.gz NMJOSBJTQYKPFE-QGZVFWFLSA-N 1 3 308.491 2.998 20 0 DFADHO C[C@H]1CCCCN1CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431741291 429780909 /nfs/dbraw/zinc/78/09/09/429780909.db2.gz JKRNNHWOJWCUOO-FUHWJXTLSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@H]1CCCCN1CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431741291 429780911 /nfs/dbraw/zinc/78/09/11/429780911.db2.gz JKRNNHWOJWCUOO-FUHWJXTLSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H]1CCCCN1CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431741293 429781287 /nfs/dbraw/zinc/78/12/87/429781287.db2.gz JKRNNHWOJWCUOO-SJLPKXTDSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H]1CCCCN1CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431741293 429781291 /nfs/dbraw/zinc/78/12/91/429781291.db2.gz JKRNNHWOJWCUOO-SJLPKXTDSA-N 1 3 321.509 2.774 20 0 DFADHO CC(C)C[C@@H](CN(C)C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431852199 429787536 /nfs/dbraw/zinc/78/75/36/429787536.db2.gz VHUQFBILYKHGBM-ZWKOTPCHSA-N 1 3 319.493 2.772 20 0 DFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000432415553 429822168 /nfs/dbraw/zinc/82/21/68/429822168.db2.gz NJYHZIKHMJSRNA-JKSUJKDBSA-N 1 3 318.461 2.868 20 0 DFADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000432415553 429822169 /nfs/dbraw/zinc/82/21/69/429822169.db2.gz NJYHZIKHMJSRNA-JKSUJKDBSA-N 1 3 318.461 2.868 20 0 DFADHO CC(C)[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccnc1 ZINC000432413385 429822220 /nfs/dbraw/zinc/82/22/20/429822220.db2.gz LYTLKVSSSTVVQD-AEFFLSMTSA-N 1 3 305.466 2.869 20 0 DFADHO CC(C)[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccnc1 ZINC000432413385 429822222 /nfs/dbraw/zinc/82/22/22/429822222.db2.gz LYTLKVSSSTVVQD-AEFFLSMTSA-N 1 3 305.466 2.869 20 0 DFADHO C[C@@H]1[C@H]([NH2+]CCCN2CCCN(C)CC2)C[C@@H]1c1ccccc1 ZINC000368355581 429836606 /nfs/dbraw/zinc/83/66/06/429836606.db2.gz XWSWFDJPOBSKPN-YSIASYRMSA-N 1 3 315.505 2.796 20 0 DFADHO COCC[NH+]1CCC(NCc2ccc3nc(C)sc3c2)CC1 ZINC000494362443 429869148 /nfs/dbraw/zinc/86/91/48/429869148.db2.gz AZSSBTRBMITMFQ-UHFFFAOYSA-N 1 3 319.474 2.805 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368445209 429850369 /nfs/dbraw/zinc/85/03/69/429850369.db2.gz ITNNDCRKWAOJEX-JFIYKMOQSA-N 1 3 315.461 2.644 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368445209 429850373 /nfs/dbraw/zinc/85/03/73/429850373.db2.gz ITNNDCRKWAOJEX-JFIYKMOQSA-N 1 3 315.461 2.644 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CC12CC2 ZINC000527859229 429811475 /nfs/dbraw/zinc/81/14/75/429811475.db2.gz OAUIBCOAPCAQPQ-HNAYVOBHSA-N 1 3 314.473 2.922 20 0 DFADHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@H]1CC12CC2 ZINC000527872005 429813069 /nfs/dbraw/zinc/81/30/69/429813069.db2.gz WIZCBSAGBZOVEH-IAGOWNOFSA-N 1 3 305.510 2.715 20 0 DFADHO CCCN1CCN(C2CC[NH+](Cc3ccc(C)cc3)CC2)CC1 ZINC000369158113 429916959 /nfs/dbraw/zinc/91/69/59/429916959.db2.gz WBGVXGVGDQHTCH-UHFFFAOYSA-N 1 3 315.505 2.987 20 0 DFADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@H](N)C2)cc1OC(F)F ZINC000573458929 429955103 /nfs/dbraw/zinc/95/51/03/429955103.db2.gz KOYXYZACOYSQSX-QWHCGFSZSA-N 1 3 314.376 2.699 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)cc1OC(F)F ZINC000573458929 429955107 /nfs/dbraw/zinc/95/51/07/429955107.db2.gz KOYXYZACOYSQSX-QWHCGFSZSA-N 1 3 314.376 2.699 20 0 DFADHO CCc1noc(-c2ccc(CCN[C@H]3CCC[C@H]([NH3+])C3)cc2)n1 ZINC000573505695 429958236 /nfs/dbraw/zinc/95/82/36/429958236.db2.gz LEIXWBREKSFMHN-HOTGVXAUSA-N 1 3 314.433 2.701 20 0 DFADHO CCc1noc(-c2ccc(CC[NH2+][C@H]3CCC[C@H](N)C3)cc2)n1 ZINC000573505695 429958240 /nfs/dbraw/zinc/95/82/40/429958240.db2.gz LEIXWBREKSFMHN-HOTGVXAUSA-N 1 3 314.433 2.701 20 0 DFADHO CN(C)CCNc1ccc(-c2cccc(C[N@H+](C)C3CC3)c2)cn1 ZINC000629708111 429962764 /nfs/dbraw/zinc/96/27/64/429962764.db2.gz AUNBOBSPNNWGGH-UHFFFAOYSA-N 1 3 324.472 3.316 20 0 DFADHO CN(C)CCNc1ccc(-c2cccc(C[N@@H+](C)C3CC3)c2)cn1 ZINC000629708111 429962767 /nfs/dbraw/zinc/96/27/67/429962767.db2.gz AUNBOBSPNNWGGH-UHFFFAOYSA-N 1 3 324.472 3.316 20 0 DFADHO CC(C)N(C(=O)CN1CCC2(C1)CC[NH+](C)CC2)C1CCCC1 ZINC000639758940 429972839 /nfs/dbraw/zinc/97/28/39/429972839.db2.gz YGTAUVULWMULJP-UHFFFAOYSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H](N[C@H](C[NH3+])C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000573711273 429975683 /nfs/dbraw/zinc/97/56/83/429975683.db2.gz ANSOTHRCPAVLTA-KBXCAEBGSA-N 1 3 313.449 2.826 20 0 DFADHO Cc1ccc(CC2(O)CC[NH+](CCCN3CCCC3)CC2)cc1 ZINC000369407318 429939107 /nfs/dbraw/zinc/93/91/07/429939107.db2.gz GJGZRMYQHDILHP-UHFFFAOYSA-N 1 3 316.489 2.850 20 0 DFADHO Cc1cnc(CC[N@@H+]2CCCN(c3ccncc3)CC2)c(C)c1 ZINC000639683121 429945899 /nfs/dbraw/zinc/94/58/99/429945899.db2.gz HMIIADMYJGNJGW-UHFFFAOYSA-N 1 3 310.445 2.848 20 0 DFADHO Cc1cnc(CC[N@H+]2CCCN(c3ccncc3)CC2)c(C)c1 ZINC000639683121 429945903 /nfs/dbraw/zinc/94/59/03/429945903.db2.gz HMIIADMYJGNJGW-UHFFFAOYSA-N 1 3 310.445 2.848 20 0 DFADHO Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c(C)c1 ZINC000573437431 429951350 /nfs/dbraw/zinc/95/13/50/429951350.db2.gz AIVPBPAJXYTRKQ-FGTMMUONSA-N 1 3 320.477 2.506 20 0 DFADHO C[C@H](NC[C@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558968544 429994953 /nfs/dbraw/zinc/99/49/53/429994953.db2.gz HCCBNNVMFNOLQW-LEAZDLGRSA-N 1 3 316.489 2.861 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CC(F)(F)C1 ZINC000529540062 430023660 /nfs/dbraw/zinc/02/36/60/430023660.db2.gz DSXVASAKTWVHIO-SUMWQHHRSA-N 1 3 324.415 2.777 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733096 430093700 /nfs/dbraw/zinc/09/37/00/430093700.db2.gz XAXOOJCCPJMWIA-BBRMVZONSA-N 1 3 321.440 2.911 20 0 DFADHO Cc1nn(C)c2sc([C@H](C)NC[C@H]3CCC[N@H+](C)C3)cc12 ZINC000562042115 430106490 /nfs/dbraw/zinc/10/64/90/430106490.db2.gz UKRYOXXERPAUAH-QWHCGFSZSA-N 1 3 306.479 2.936 20 0 DFADHO Cc1nn(C)c2sc([C@H](C)NC[C@H]3CCC[N@@H+](C)C3)cc12 ZINC000562042115 430106494 /nfs/dbraw/zinc/10/64/94/430106494.db2.gz UKRYOXXERPAUAH-QWHCGFSZSA-N 1 3 306.479 2.936 20 0 DFADHO CC1(C)C[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)CCO1 ZINC000634681696 430075958 /nfs/dbraw/zinc/07/59/58/430075958.db2.gz VPUKJUXQLVMHRG-INIZCTEOSA-N 1 3 303.450 2.845 20 0 DFADHO c1cnc2cc(CN3CCC(C[NH+]4CCCC4)CC3)ccc2n1 ZINC000637904112 430166999 /nfs/dbraw/zinc/16/69/99/430166999.db2.gz ALSSQYCKOLOSFN-UHFFFAOYSA-N 1 3 310.445 2.938 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCc4ccccc43)C2)CC1 ZINC000370637904 277028011 /nfs/dbraw/zinc/02/80/11/277028011.db2.gz VVEODUGCJMZBHO-YLJYHZDGSA-N 1 3 313.489 2.822 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273621792 277032099 /nfs/dbraw/zinc/03/20/99/277032099.db2.gz ZHGGVVPHHHBUCO-INIZCTEOSA-N 1 3 308.853 2.764 20 0 DFADHO CN1CCC[N@H+](CCCN[C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269836000 277051445 /nfs/dbraw/zinc/05/14/45/277051445.db2.gz ASDPMUZBFMAERY-QGZVFWFLSA-N 1 3 323.431 2.569 20 0 DFADHO CN1CCC[N@@H+](CCCN[C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269836000 277051446 /nfs/dbraw/zinc/05/14/46/277051446.db2.gz ASDPMUZBFMAERY-QGZVFWFLSA-N 1 3 323.431 2.569 20 0 DFADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c1 ZINC000581185772 430186724 /nfs/dbraw/zinc/18/67/24/430186724.db2.gz GWQOPSWUXBXVEQ-FGTMMUONSA-N 1 3 320.477 2.506 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000271049634 277059829 /nfs/dbraw/zinc/05/98/29/277059829.db2.gz WQBUBOKGMJUEEW-RTBURBONSA-N 1 3 302.462 2.744 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000271049634 277059830 /nfs/dbraw/zinc/05/98/30/277059830.db2.gz WQBUBOKGMJUEEW-RTBURBONSA-N 1 3 302.462 2.744 20 0 DFADHO CN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000581130968 430180754 /nfs/dbraw/zinc/18/07/54/430180754.db2.gz AYUGSKUDYRMGAB-GOSISDBHSA-N 1 3 301.478 2.725 20 0 DFADHO CN1CCC[C@H]1CC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000292894208 277078946 /nfs/dbraw/zinc/07/89/46/277078946.db2.gz ZABPZQFLLREPNW-ZWKOTPCHSA-N 1 3 302.462 2.964 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635006803 430194744 /nfs/dbraw/zinc/19/47/44/430194744.db2.gz SYAHKANWQMJKGI-NAXVBUTDSA-N 1 3 321.262 2.804 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635006803 430194746 /nfs/dbraw/zinc/19/47/46/430194746.db2.gz SYAHKANWQMJKGI-NAXVBUTDSA-N 1 3 321.262 2.804 20 0 DFADHO c1ccc2c(c1)NCCC[C@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007072 430194754 /nfs/dbraw/zinc/19/47/54/430194754.db2.gz DQADTBQVRWGFAY-GOSISDBHSA-N 1 3 323.444 2.850 20 0 DFADHO C[C@@H](N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000635001423 430191123 /nfs/dbraw/zinc/19/11/23/430191123.db2.gz RVFAQYBAYYRSEG-ZTIHKXHJSA-N 1 3 321.262 2.675 20 0 DFADHO Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2cccc3c2CCNC3)C1 ZINC000635011994 430195327 /nfs/dbraw/zinc/19/53/27/430195327.db2.gz RZOUZGDAYMHZOG-YJBOKZPZSA-N 1 3 324.472 2.882 20 0 DFADHO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1-n1ccnn1 ZINC000635012368 430196057 /nfs/dbraw/zinc/19/60/57/430196057.db2.gz TXKZUJRPPRLWOX-CABCVRRESA-N 1 3 313.449 2.696 20 0 DFADHO CSC[C@H](O)CNCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000581305314 430197551 /nfs/dbraw/zinc/19/75/51/430197551.db2.gz CGMWWFOPFSSWPK-GOSISDBHSA-N 1 3 322.518 2.732 20 0 DFADHO c1ccc(CN2CCCCC[C@H](NC3CC[NH2+]CC3)C2)cc1 ZINC000635016488 430198360 /nfs/dbraw/zinc/19/83/60/430198360.db2.gz CCCKPUKSCCVHGM-IBGZPJMESA-N 1 3 301.478 2.773 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@@H]3CCCC[C@H]3C[NH3+])C2)cc1 ZINC000635013688 430198463 /nfs/dbraw/zinc/19/84/63/430198463.db2.gz VCKWLSNCPAEJGK-GBESFXJTSA-N 1 3 301.478 2.676 20 0 DFADHO CCN[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000638064379 430223967 /nfs/dbraw/zinc/22/39/67/430223967.db2.gz SUKINPZQDORATK-HUUCEWRRSA-N 1 3 303.450 2.855 20 0 DFADHO CCN[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000638064379 430223971 /nfs/dbraw/zinc/22/39/71/430223971.db2.gz SUKINPZQDORATK-HUUCEWRRSA-N 1 3 303.450 2.855 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN(Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000565488379 430215280 /nfs/dbraw/zinc/21/52/80/430215280.db2.gz FTNKJNZSCCLHTF-CRAIPNDOSA-N 1 3 320.477 2.608 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN(Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000565488379 430215285 /nfs/dbraw/zinc/21/52/85/430215285.db2.gz FTNKJNZSCCLHTF-CRAIPNDOSA-N 1 3 320.477 2.608 20 0 DFADHO Cc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)c(-n2cc(Cl)cn2)n1 ZINC000581834992 430243823 /nfs/dbraw/zinc/24/38/23/430243823.db2.gz IPOBRAHTGBDEJN-GJZGRUSLSA-N 1 3 319.840 2.589 20 0 DFADHO CC(C)CC[C@H](N)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000638131278 430246696 /nfs/dbraw/zinc/24/66/96/430246696.db2.gz LDIYIGUSDYJJKL-KRWDZBQOSA-N 1 3 311.514 2.624 20 0 DFADHO c1ccc(-c2ncc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000566230256 430250694 /nfs/dbraw/zinc/25/06/94/430250694.db2.gz VTANGSAQAMFFHJ-RBUKOAKNSA-N 1 3 322.456 2.965 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000638205368 430274266 /nfs/dbraw/zinc/27/42/66/430274266.db2.gz PLVNJFSVNQGHFT-ROUUACIJSA-N 1 3 313.445 2.719 20 0 DFADHO CC[NH+](CC)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC000635447021 430281086 /nfs/dbraw/zinc/28/10/86/430281086.db2.gz IKHZILDEJFHKED-UHFFFAOYSA-N 1 3 311.514 2.545 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000638086961 430229698 /nfs/dbraw/zinc/22/96/98/430229698.db2.gz YASNSIYSGGKGFA-MSOLQXFVSA-N 1 3 323.525 2.720 20 0 DFADHO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000542852047 430230320 /nfs/dbraw/zinc/23/03/20/430230320.db2.gz OSWWUPLURXVNBR-ATZDWAIDSA-N 1 3 302.462 2.922 20 0 DFADHO OC1CCN(Cc2ccc(C[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)cc2)CC1 ZINC000638273806 430290022 /nfs/dbraw/zinc/29/00/22/430290022.db2.gz LBIHNQJVBXBBTO-REPLKXPHSA-N 1 3 314.473 2.779 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC000635494345 430293826 /nfs/dbraw/zinc/29/38/26/430293826.db2.gz HXPVOOZUYSOLLQ-HNNXBMFYSA-N 1 3 317.477 2.574 20 0 DFADHO CN(C)CCC[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000638289396 430295006 /nfs/dbraw/zinc/29/50/06/430295006.db2.gz HPKMZKLTADPLNU-PKOBYXMFSA-N 1 3 301.478 2.896 20 0 DFADHO CN(C)CCC[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000638289395 430295037 /nfs/dbraw/zinc/29/50/37/430295037.db2.gz HPKMZKLTADPLNU-MJGOQNOKSA-N 1 3 301.478 2.896 20 0 DFADHO Cc1ccc(C[C@@H]2CCCN(C[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000582449337 430301479 /nfs/dbraw/zinc/30/14/79/430301479.db2.gz XAUVWTJQVSBJSS-ICSRJNTNSA-N 1 3 316.489 2.705 20 0 DFADHO Cc1ccc(C[C@@H]2CCCN(C[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000582449337 430301484 /nfs/dbraw/zinc/30/14/84/430301484.db2.gz XAUVWTJQVSBJSS-ICSRJNTNSA-N 1 3 316.489 2.705 20 0 DFADHO CCC(CC)[C@H](CN[C@@H](C)C[C@@H]1CCCC(=O)N1)[NH+]1CCCC1 ZINC000638349968 430311478 /nfs/dbraw/zinc/31/14/78/430311478.db2.gz XPERVCOPUGEIBC-SZMVWBNQSA-N 1 3 323.525 2.924 20 0 DFADHO CN1CCN(CCCC[NH2+]CC2C3CC4CC(C3)CC2C4)CC1 ZINC000638359160 430315331 /nfs/dbraw/zinc/31/53/31/430315331.db2.gz HISSQWFPDJEWAK-UHFFFAOYSA-N 1 3 319.537 2.676 20 0 DFADHO CCCN1CC[C@@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638409115 430332912 /nfs/dbraw/zinc/33/29/12/430332912.db2.gz JDRPFTQHXDEFNG-ZWKOTPCHSA-N 1 3 301.478 2.834 20 0 DFADHO CC(C)(C)O[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCCC2)C12CCC2 ZINC000638412352 430333918 /nfs/dbraw/zinc/33/39/18/430333918.db2.gz OETNEUMMQIKPJH-GVDBMIGSSA-N 1 3 324.509 2.549 20 0 DFADHO C[C@@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2cccn2)c(F)c1 ZINC000568248105 430338023 /nfs/dbraw/zinc/33/80/23/430338023.db2.gz HQYTTWMWEUWPNH-BPLDGKMQSA-N 1 3 302.397 2.932 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CS1 ZINC000638718161 430415554 /nfs/dbraw/zinc/41/55/54/430415554.db2.gz FEBKKBPTOOXFPG-PBHICJAKSA-N 1 3 320.502 2.627 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CCCc1cncn1C ZINC000569017075 430416202 /nfs/dbraw/zinc/41/62/02/430416202.db2.gz FAJMPZNGNZPPJW-QGZVFWFLSA-N 1 3 312.461 2.559 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CCCc1cncn1C ZINC000569017075 430416206 /nfs/dbraw/zinc/41/62/06/430416206.db2.gz FAJMPZNGNZPPJW-QGZVFWFLSA-N 1 3 312.461 2.559 20 0 DFADHO CN(CC(=O)N1CCC(CCC[NH+](C)C)CC1)CC(C)(C)C ZINC000635754054 430367693 /nfs/dbraw/zinc/36/76/93/430367693.db2.gz UJJMIDRBAQNSOZ-UHFFFAOYSA-N 1 3 311.514 2.545 20 0 DFADHO CCSc1cccc(C[NH2+]CCCCN2CCN(C)CC2)c1 ZINC000546728742 430367826 /nfs/dbraw/zinc/36/78/26/430367826.db2.gz BFDZCTQVYVTNJY-UHFFFAOYSA-N 1 3 321.534 2.916 20 0 DFADHO Cc1ncc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1C ZINC000583155672 430370785 /nfs/dbraw/zinc/37/07/85/430370785.db2.gz ZILWZPYKHMCTLI-QAPCUYQASA-N 1 3 312.461 2.871 20 0 DFADHO C[C@@H](C(=O)N1CCCc2cccc(C[NH3+])c21)N1CCCCCC1 ZINC000638545152 430374107 /nfs/dbraw/zinc/37/41/07/430374107.db2.gz QBHDNHXZVGLFGG-HNNXBMFYSA-N 1 3 315.461 2.689 20 0 DFADHO C[C@H](O)C[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638796840 430436756 /nfs/dbraw/zinc/43/67/56/430436756.db2.gz MSNOCJZTECTOEX-LPHOPBHVSA-N 1 3 304.478 2.895 20 0 DFADHO C[C@H](O)CNC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638796840 430436758 /nfs/dbraw/zinc/43/67/58/430436758.db2.gz MSNOCJZTECTOEX-LPHOPBHVSA-N 1 3 304.478 2.895 20 0 DFADHO C[C@H](O)CNC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638796840 430436762 /nfs/dbraw/zinc/43/67/62/430436762.db2.gz MSNOCJZTECTOEX-LPHOPBHVSA-N 1 3 304.478 2.895 20 0 DFADHO C[C@H](O)[C@](C)(CN[C@@H](C)[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000583928629 430442430 /nfs/dbraw/zinc/44/24/30/430442430.db2.gz MEMMXIPVBVZEHC-DKKFBQAASA-N 1 3 304.478 2.594 20 0 DFADHO C[C@H](O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CCCNC1)Cc1ccccc1 ZINC000583928629 430442438 /nfs/dbraw/zinc/44/24/38/430442438.db2.gz MEMMXIPVBVZEHC-DKKFBQAASA-N 1 3 304.478 2.594 20 0 DFADHO C[C@@H](O)[C@](C)(CN[C@@H](C)[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000583928631 430442857 /nfs/dbraw/zinc/44/28/57/430442857.db2.gz MEMMXIPVBVZEHC-NBMJBFSESA-N 1 3 304.478 2.594 20 0 DFADHO C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)[C@H]1CCCNC1)Cc1ccccc1 ZINC000583928631 430442862 /nfs/dbraw/zinc/44/28/62/430442862.db2.gz MEMMXIPVBVZEHC-NBMJBFSESA-N 1 3 304.478 2.594 20 0 DFADHO C[C@H]1CCCCN1CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548060657 430444512 /nfs/dbraw/zinc/44/45/12/430444512.db2.gz NVHVLDQFOJLYEP-INIZCTEOSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@H]1CCCCN1CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548060657 430444515 /nfs/dbraw/zinc/44/45/15/430444515.db2.gz NVHVLDQFOJLYEP-INIZCTEOSA-N 1 3 309.498 2.632 20 0 DFADHO CCCCN1CCC([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000641711991 430450777 /nfs/dbraw/zinc/45/07/77/430450777.db2.gz HLIHYTJTDLIHFP-UHFFFAOYSA-N 1 3 302.422 2.623 20 0 DFADHO CCn1cc(C[NH2+]CC2=CCN(C)CC2)c(-c2ccccc2)n1 ZINC000641746410 430458436 /nfs/dbraw/zinc/45/84/36/430458436.db2.gz WXCMMDUUTWPXJW-UHFFFAOYSA-N 1 3 310.445 2.922 20 0 DFADHO CCn1cc(CNCC2=CC[N@H+](C)CC2)c(-c2ccccc2)n1 ZINC000641746410 430458439 /nfs/dbraw/zinc/45/84/39/430458439.db2.gz WXCMMDUUTWPXJW-UHFFFAOYSA-N 1 3 310.445 2.922 20 0 DFADHO CCn1cc(CNCC2=CC[N@@H+](C)CC2)c(-c2ccccc2)n1 ZINC000641746410 430458443 /nfs/dbraw/zinc/45/84/43/430458443.db2.gz WXCMMDUUTWPXJW-UHFFFAOYSA-N 1 3 310.445 2.922 20 0 DFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548394264 430468847 /nfs/dbraw/zinc/46/88/47/430468847.db2.gz OPMJDPSYLKIZGY-KRWDZBQOSA-N 1 3 323.525 2.878 20 0 DFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548394264 430468850 /nfs/dbraw/zinc/46/88/50/430468850.db2.gz OPMJDPSYLKIZGY-KRWDZBQOSA-N 1 3 323.525 2.878 20 0 DFADHO O=C(CC[NH2+]C[C@H]1CCN(C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000569686684 430477119 /nfs/dbraw/zinc/47/71/19/430477119.db2.gz TXHOFEPYIRTBGC-CYBMUJFWSA-N 1 3 321.852 2.743 20 0 DFADHO O=C(CCNC[C@H]1CC[N@@H+](C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000569686684 430477123 /nfs/dbraw/zinc/47/71/23/430477123.db2.gz TXHOFEPYIRTBGC-CYBMUJFWSA-N 1 3 321.852 2.743 20 0 DFADHO O=C(CCNC[C@H]1CC[N@H+](C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000569686684 430477129 /nfs/dbraw/zinc/47/71/29/430477129.db2.gz TXHOFEPYIRTBGC-CYBMUJFWSA-N 1 3 321.852 2.743 20 0 DFADHO CC(C)[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC1CC1 ZINC000547786457 430421597 /nfs/dbraw/zinc/42/15/97/430421597.db2.gz OPVTZKOLPFTDEV-SFHVURJKSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC1CC1 ZINC000547786457 430421601 /nfs/dbraw/zinc/42/16/01/430421601.db2.gz OPVTZKOLPFTDEV-SFHVURJKSA-N 1 3 317.477 2.526 20 0 DFADHO CN(C)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000569084969 430421723 /nfs/dbraw/zinc/42/17/23/430421723.db2.gz NGKKFSXGXOXPOG-SFHVURJKSA-N 1 3 324.428 2.714 20 0 DFADHO CCCc1nc(C)c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)o1 ZINC000641823009 430482566 /nfs/dbraw/zinc/48/25/66/430482566.db2.gz OZWGLFUQMWHDDW-INIZCTEOSA-N 1 3 321.465 2.526 20 0 DFADHO CCC[C@H](CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)OC ZINC000638970291 430484160 /nfs/dbraw/zinc/48/41/60/430484160.db2.gz KVOYMNHWOVITRK-RTBURBONSA-N 1 3 320.477 2.548 20 0 DFADHO CCC[C@H](CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO)OC ZINC000638970291 430484162 /nfs/dbraw/zinc/48/41/62/430484162.db2.gz KVOYMNHWOVITRK-RTBURBONSA-N 1 3 320.477 2.548 20 0 DFADHO CCc1[nH+]c2ccccc2c(N2CCO[C@H](CN(C)C)C2)c1C ZINC000548782028 430501459 /nfs/dbraw/zinc/50/14/59/430501459.db2.gz XPMKJVPDPGXNAW-OAHLLOKOSA-N 1 3 313.445 2.872 20 0 DFADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cc1ccc(F)cc1 ZINC000569960995 430501562 /nfs/dbraw/zinc/50/15/62/430501562.db2.gz VLCHQHSJYOUJHN-LJQANCHMSA-N 1 3 320.452 2.726 20 0 DFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH3+])c2ccccc21)N(CC)CC ZINC000639068621 430510413 /nfs/dbraw/zinc/51/04/13/430510413.db2.gz YDZCXQATDLJTSZ-ZBFHGGJFSA-N 1 3 303.450 2.586 20 0 DFADHO N[C@H](CC(=O)N1CC[C@@H](C[NH3+])c2ccccc21)c1ccccc1 ZINC000639067650 430510824 /nfs/dbraw/zinc/51/08/24/430510824.db2.gz KFUYZQFCAHSULZ-DOTOQJQBSA-N 1 3 309.413 2.556 20 0 DFADHO COc1cc(C[C@H](C)[NH2+]CC(C)(C)CN2CCCC2)ccn1 ZINC000639102344 430525168 /nfs/dbraw/zinc/52/51/68/430525168.db2.gz KCNKNUZMFSEGPE-HNNXBMFYSA-N 1 3 305.466 2.733 20 0 DFADHO COc1cc(C[C@H](C)NCC(C)(C)C[NH+]2CCCC2)ccn1 ZINC000639102344 430525170 /nfs/dbraw/zinc/52/51/70/430525170.db2.gz KCNKNUZMFSEGPE-HNNXBMFYSA-N 1 3 305.466 2.733 20 0 DFADHO CN(CCC[NH+]1CCCC1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639131973 430537819 /nfs/dbraw/zinc/53/78/19/430537819.db2.gz CINOTZTVOGPDIM-SFHVURJKSA-N 1 3 301.478 2.931 20 0 DFADHO COc1ccc(COCCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000643064218 430547744 /nfs/dbraw/zinc/54/77/44/430547744.db2.gz XLPGSNNYAFOHBL-PKOBYXMFSA-N 1 3 318.461 2.676 20 0 DFADHO CSC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000570508632 430549217 /nfs/dbraw/zinc/54/92/17/430549217.db2.gz CYOMXHFCGJYRDA-QAPCUYQASA-N 1 3 322.518 2.732 20 0 DFADHO CSC[C@@H](O)CNCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000570508632 430549221 /nfs/dbraw/zinc/54/92/21/430549221.db2.gz CYOMXHFCGJYRDA-QAPCUYQASA-N 1 3 322.518 2.732 20 0 DFADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccnn3CC3CCC3)C2)CC1 ZINC000639176798 430556438 /nfs/dbraw/zinc/55/64/38/430556438.db2.gz LAEHOYABIMKXPO-GOSISDBHSA-N 1 3 316.493 2.847 20 0 DFADHO CCN1CCC([N@@H+]2CCCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000643255261 430567364 /nfs/dbraw/zinc/56/73/64/430567364.db2.gz QLNNPVIWNDNYSK-QGZVFWFLSA-N 1 3 316.493 2.635 20 0 DFADHO CCN1CCC([N@H+]2CCCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000643255261 430567366 /nfs/dbraw/zinc/56/73/66/430567366.db2.gz QLNNPVIWNDNYSK-QGZVFWFLSA-N 1 3 316.493 2.635 20 0 DFADHO CC[NH+]1CCC(N2CCCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000643255261 430567371 /nfs/dbraw/zinc/56/73/71/430567371.db2.gz QLNNPVIWNDNYSK-QGZVFWFLSA-N 1 3 316.493 2.635 20 0 DFADHO COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@@H](N)c3ccccc31)C2 ZINC000643451954 430601618 /nfs/dbraw/zinc/60/16/18/430601618.db2.gz CVVWAMSBXZUXSA-KBRIMQKVSA-N 1 3 310.397 2.733 20 0 DFADHO CC(C)CN1CCCC[C@@H]1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000552062657 430582601 /nfs/dbraw/zinc/58/26/01/430582601.db2.gz CGDHHUSETGNKCB-HCXYKTFWSA-N 1 3 307.526 2.959 20 0 DFADHO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C)[C@H]3CCC[C@@H]31)CCO2 ZINC000552065203 430583703 /nfs/dbraw/zinc/58/37/03/430583703.db2.gz JTEUCXXDNVCZRE-BGTYHANMSA-N 1 3 316.445 2.981 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453261 430602001 /nfs/dbraw/zinc/60/20/01/430602001.db2.gz VAGZKVXZVSEBKO-DEYYWGMASA-N 1 3 323.431 2.898 20 0 DFADHO C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)(N(C)C)C1 ZINC000552223293 430590753 /nfs/dbraw/zinc/59/07/53/430590753.db2.gz MMNAGPYQIJMRFD-NNIGNNQHSA-N 1 3 307.526 2.959 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453173 430602416 /nfs/dbraw/zinc/60/24/16/430602416.db2.gz LTZXPIMNOOHGKV-DCGLDWPTSA-N 1 3 309.404 2.508 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456668 430603099 /nfs/dbraw/zinc/60/30/99/430603099.db2.gz VTTGOPBGSRTEAA-TUKIKUTGSA-N 1 3 316.367 2.590 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1ccc(C(F)(F)F)cc1 ZINC000643456668 430603103 /nfs/dbraw/zinc/60/31/03/430603103.db2.gz VTTGOPBGSRTEAA-TUKIKUTGSA-N 1 3 316.367 2.590 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)cc2)C1 ZINC000639307752 430604482 /nfs/dbraw/zinc/60/44/82/430604482.db2.gz GYADUEQSMVUVKS-YSTOQKLRSA-N 1 3 314.473 2.779 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000643474435 430606578 /nfs/dbraw/zinc/60/65/78/430606578.db2.gz LVBDLPMLRXLVRO-RFUYNDQBSA-N 1 3 313.445 2.664 20 0 DFADHO OCc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000643478188 430607654 /nfs/dbraw/zinc/60/76/54/430607654.db2.gz BCLKZDJJKNKDSK-GBESFXJTSA-N 1 3 302.462 2.622 20 0 DFADHO OCc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)cc1 ZINC000643478188 430607656 /nfs/dbraw/zinc/60/76/56/430607656.db2.gz BCLKZDJJKNKDSK-GBESFXJTSA-N 1 3 302.462 2.622 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC000553177852 430610954 /nfs/dbraw/zinc/61/09/54/430610954.db2.gz SODROYCBFTWMAN-WMZOPIPTSA-N 1 3 317.477 2.528 20 0 DFADHO CO[C@@H](C[NH2+]C[C@@H]1CCCN(CC2CC2)C1)Cc1ccccc1 ZINC000639338806 430615246 /nfs/dbraw/zinc/61/52/46/430615246.db2.gz WTBHYLCCVMVQTF-VQTJNVASSA-N 1 3 316.489 2.956 20 0 DFADHO Cc1noc(C2CCC([NH2+][C@H]3CCNC4(CCC4)C3)CC2)n1 ZINC000643548533 430615535 /nfs/dbraw/zinc/61/55/35/430615535.db2.gz QNHOLMVWEABFFI-NRXISQOPSA-N 1 3 304.438 2.669 20 0 DFADHO CN1CCCC[C@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639345908 430617606 /nfs/dbraw/zinc/61/76/06/430617606.db2.gz CLJPEEFZJXYGJD-QZTJIDSGSA-N 1 3 301.478 2.834 20 0 DFADHO CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000554095008 430628319 /nfs/dbraw/zinc/62/83/19/430628319.db2.gz ASSJIYBFUPLCMD-VNTMZGSJSA-N 1 3 316.489 2.751 20 0 DFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000571620749 430641177 /nfs/dbraw/zinc/64/11/77/430641177.db2.gz OMNLBMZENCKAJN-SFHVURJKSA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000571620749 430641178 /nfs/dbraw/zinc/64/11/78/430641178.db2.gz OMNLBMZENCKAJN-SFHVURJKSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)[C@@H]1CCCNC1 ZINC000572111563 430672263 /nfs/dbraw/zinc/67/22/63/430672263.db2.gz DPBJGGJGRJACFD-CGTJXYLNSA-N 1 3 304.478 2.766 20 0 DFADHO C[C@H](NC[C@H](c1ccccc1)C(C)(C)CO)[C@@H]1CCC[NH2+]C1 ZINC000572111563 430672265 /nfs/dbraw/zinc/67/22/65/430672265.db2.gz DPBJGGJGRJACFD-CGTJXYLNSA-N 1 3 304.478 2.766 20 0 DFADHO CC[NH+](CC)CCCC1CCN(CCc2cnccn2)CC1 ZINC000639575445 430674458 /nfs/dbraw/zinc/67/44/58/430674458.db2.gz CRVDKHORDOHZMB-UHFFFAOYSA-N 1 3 304.482 2.853 20 0 DFADHO C[C@H](NCCNc1ncc(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000572234309 430677287 /nfs/dbraw/zinc/67/72/87/430677287.db2.gz RCNLGRSWCHFOAJ-QWRGUYRKSA-N 1 3 317.264 2.778 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc[nH]c(=O)c1 ZINC000639589032 430677641 /nfs/dbraw/zinc/67/76/41/430677641.db2.gz IKYWQAYSAAJNFV-CRAIPNDOSA-N 1 3 311.429 2.787 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc[nH]c(=O)c1 ZINC000639589032 430677644 /nfs/dbraw/zinc/67/76/44/430677644.db2.gz IKYWQAYSAAJNFV-CRAIPNDOSA-N 1 3 311.429 2.787 20 0 DFADHO C[C@H](NCCc1nc(-c2ccncc2)cs1)[C@H]1CCC[NH2+]C1 ZINC000572234165 430677729 /nfs/dbraw/zinc/67/77/29/430677729.db2.gz DLCVUKYVMIWFLG-ZFWWWQNUSA-N 1 3 316.474 2.725 20 0 DFADHO C[C@H]([NH2+]CCc1nc(-c2ccncc2)cs1)[C@H]1CCCNC1 ZINC000572234165 430677732 /nfs/dbraw/zinc/67/77/32/430677732.db2.gz DLCVUKYVMIWFLG-ZFWWWQNUSA-N 1 3 316.474 2.725 20 0 DFADHO C[C@H](CC[S@](C)=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000358407284 278175668 /nfs/dbraw/zinc/17/56/68/278175668.db2.gz TZNOBQUUQCPCCT-VLIAUNLRSA-N 1 3 300.512 2.530 20 0 DFADHO C[C@H](CNC(=O)[C@@H](C)[C@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000261851154 278204742 /nfs/dbraw/zinc/20/47/42/278204742.db2.gz ZYYWFMIONKMLDV-RYRKJORJSA-N 1 3 317.477 2.561 20 0 DFADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000556843126 430694809 /nfs/dbraw/zinc/69/48/09/430694809.db2.gz HQZAICLJVHNWIT-MRXNPFEDSA-N 1 3 323.525 2.593 20 0 DFADHO c1cc(-c2ccc(CNCC3CC[NH+](CC4CC4)CC3)o2)n[nH]1 ZINC000657813708 430744297 /nfs/dbraw/zinc/74/42/97/430744297.db2.gz YHWJWBGATCUFTH-UHFFFAOYSA-N 1 3 314.433 2.881 20 0 DFADHO CC[C@H](Cc1ccc(Cl)cc1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000657847382 430752463 /nfs/dbraw/zinc/75/24/63/430752463.db2.gz UYFPCBCLECTXCU-IAGOWNOFSA-N 1 3 310.869 2.707 20 0 DFADHO COC[C@H](CC1CCOCC1)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000657844174 430753368 /nfs/dbraw/zinc/75/33/68/430753368.db2.gz OVUYPSZDVMHWHB-AEFFLSMTSA-N 1 3 312.498 2.530 20 0 DFADHO COC[C@H](CC1CCOCC1)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000657844174 430753376 /nfs/dbraw/zinc/75/33/76/430753376.db2.gz OVUYPSZDVMHWHB-AEFFLSMTSA-N 1 3 312.498 2.530 20 0 DFADHO CN(Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1COCCO1 ZINC000661615336 430774937 /nfs/dbraw/zinc/77/49/37/430774937.db2.gz ZXOZDCKWNOGZAD-IBGZPJMESA-N 1 3 318.461 2.520 20 0 DFADHO C[N@H+](C[C@H](O)CN[C@H]1C[C@H](c2ccccc2Cl)C1)C1CC1 ZINC000644654953 430780553 /nfs/dbraw/zinc/78/05/53/430780553.db2.gz BZCDFQSSXXQCBQ-UMVBOHGHSA-N 1 3 308.853 2.631 20 0 DFADHO C[N@@H+](C[C@H](O)CN[C@H]1C[C@H](c2ccccc2Cl)C1)C1CC1 ZINC000644654953 430780557 /nfs/dbraw/zinc/78/05/57/430780557.db2.gz BZCDFQSSXXQCBQ-UMVBOHGHSA-N 1 3 308.853 2.631 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCCC34CC4)cc2)C1 ZINC000658139299 430823788 /nfs/dbraw/zinc/82/37/88/430823788.db2.gz QNARDTOKSQPNMJ-MSOLQXFVSA-N 1 3 300.446 2.676 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H](C3CC3)C3CCC3)cc2)C1 ZINC000658139848 430824334 /nfs/dbraw/zinc/82/43/34/430824334.db2.gz TTWZTYNXAZIKJQ-WOJBJXKFSA-N 1 3 314.473 2.922 20 0 DFADHO c1cc(CN2CCC(C[NH2+][C@H]3COC4(CCC4)C3)CC2)ccn1 ZINC000658162095 430831391 /nfs/dbraw/zinc/83/13/91/430831391.db2.gz BQNMCBDDNBOOGM-GOSISDBHSA-N 1 3 315.461 2.595 20 0 DFADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CCOC1 ZINC000658166791 430834349 /nfs/dbraw/zinc/83/43/49/430834349.db2.gz OVIDCAHKMWPPRP-RTBURBONSA-N 1 3 317.477 2.698 20 0 DFADHO CC[C@H]1C[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)CCO1 ZINC000648446905 430790581 /nfs/dbraw/zinc/79/05/81/430790581.db2.gz IBNUHSLMCRONIU-MSOLQXFVSA-N 1 3 320.477 2.717 20 0 DFADHO C[N@@H+]1C[C@@H](CN[C@H]2COC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000658041625 430792201 /nfs/dbraw/zinc/79/22/01/430792201.db2.gz DUPCZJBYNHDYDL-KURKYZTESA-N 1 3 300.446 2.633 20 0 DFADHO C[N@H+]1C[C@@H](CN[C@H]2COC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000658041625 430792204 /nfs/dbraw/zinc/79/22/04/430792204.db2.gz DUPCZJBYNHDYDL-KURKYZTESA-N 1 3 300.446 2.633 20 0 DFADHO CC[C@H]1C[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)CCO1 ZINC000648494060 430806576 /nfs/dbraw/zinc/80/65/76/430806576.db2.gz PEJMXLCGXCBXFH-AEFFLSMTSA-N 1 3 303.450 2.845 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000658252059 430853171 /nfs/dbraw/zinc/85/31/71/430853171.db2.gz IJDCJZVPJIKBFZ-BZZMCLGOSA-N 1 3 306.494 2.923 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000665240632 430867019 /nfs/dbraw/zinc/86/70/19/430867019.db2.gz PMNUWMQYJVLLJB-MOPGFXCFSA-N 1 3 316.493 2.543 20 0 DFADHO C[C@H](NCC1([NH3+])CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000665249766 430868420 /nfs/dbraw/zinc/86/84/20/430868420.db2.gz YTQCTAMTHCNITR-HNNXBMFYSA-N 1 3 305.466 2.549 20 0 DFADHO CC[C@@H](NCC1(CC(=O)NC)CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000665274983 430878577 /nfs/dbraw/zinc/87/85/77/430878577.db2.gz ADTCTFJKOLLRQA-HZPDHXFCSA-N 1 3 309.498 2.583 20 0 DFADHO CNC(=O)CC1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CCCCC1 ZINC000665275845 430879455 /nfs/dbraw/zinc/87/94/55/430879455.db2.gz TXDPVTHHOZJOIE-DLBZAZTESA-N 1 3 315.461 2.807 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294197 430889589 /nfs/dbraw/zinc/88/95/89/430889589.db2.gz JYVBQVLMEGZQBC-RLFYNMQTSA-N 1 3 306.450 2.598 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1 ZINC000665289760 430886003 /nfs/dbraw/zinc/88/60/03/430886003.db2.gz WPDGSBXYGDIOEE-BSDSXHPESA-N 1 3 315.461 2.587 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1 ZINC000665289760 430886004 /nfs/dbraw/zinc/88/60/04/430886004.db2.gz WPDGSBXYGDIOEE-BSDSXHPESA-N 1 3 315.461 2.587 20 0 DFADHO c1nnn(-c2ccccc2)c1CNCCCCC[NH+]1CCCC1 ZINC000651817337 430886174 /nfs/dbraw/zinc/88/61/74/430886174.db2.gz IGXRQUNUUITZCK-UHFFFAOYSA-N 1 3 313.449 2.623 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]CCC[C@H]2CCOC2)cc1 ZINC000648815686 430902325 /nfs/dbraw/zinc/90/23/25/430902325.db2.gz OFPSXMNBZKBNSI-KRWDZBQOSA-N 1 3 306.450 2.533 20 0 DFADHO OC[C@H](CCF)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000652020150 430938488 /nfs/dbraw/zinc/93/84/88/430938488.db2.gz MJNZOLLHVRDHGX-YDZRNGNQSA-N 1 3 320.452 2.597 20 0 DFADHO OC[C@H](CCF)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000652020150 430938489 /nfs/dbraw/zinc/93/84/89/430938489.db2.gz MJNZOLLHVRDHGX-YDZRNGNQSA-N 1 3 320.452 2.597 20 0 DFADHO OC[C@H](CCF)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000652020150 430938493 /nfs/dbraw/zinc/93/84/93/430938493.db2.gz MJNZOLLHVRDHGX-YDZRNGNQSA-N 1 3 320.452 2.597 20 0 DFADHO C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662148481 430981913 /nfs/dbraw/zinc/98/19/13/430981913.db2.gz KTBOQLLUQYSTQY-QRWLVFNGSA-N 1 3 314.473 2.767 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCCN(CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662244450 431012232 /nfs/dbraw/zinc/01/22/32/431012232.db2.gz GXDDKYJCPVOBKY-WCQYABFASA-N 1 3 312.360 2.610 20 0 DFADHO CCCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@H]1CCN(C)C1 ZINC000648997152 430964749 /nfs/dbraw/zinc/96/47/49/430964749.db2.gz KATUJCPKDPLDJU-KRWDZBQOSA-N 1 3 309.498 2.584 20 0 DFADHO CCCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@H]1CCN(C)C1 ZINC000648997152 430964753 /nfs/dbraw/zinc/96/47/53/430964753.db2.gz KATUJCPKDPLDJU-KRWDZBQOSA-N 1 3 309.498 2.584 20 0 DFADHO C[N@H+](CCC(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CCCCC1 ZINC000655349946 430970564 /nfs/dbraw/zinc/97/05/64/430970564.db2.gz MTXPIBLGKOWGLB-ROUUACIJSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@@H+](CCC(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CCCCC1 ZINC000655349946 430970568 /nfs/dbraw/zinc/97/05/68/430970568.db2.gz MTXPIBLGKOWGLB-ROUUACIJSA-N 1 3 321.509 2.774 20 0 DFADHO Cc1nccn1[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652339343 431025387 /nfs/dbraw/zinc/02/53/87/431025387.db2.gz OODNPSYZMMEERO-LJQANCHMSA-N 1 3 310.445 2.674 20 0 DFADHO CC[N@H+](CCCNC(=O)C1(N)CC2(CCC2)C1)C1CCCCC1 ZINC000659327584 431028337 /nfs/dbraw/zinc/02/83/37/431028337.db2.gz PZNLHSBMLNYGFV-UHFFFAOYSA-N 1 3 321.509 2.809 20 0 DFADHO CC[N@@H+](CCCNC(=O)C1(N)CC2(CCC2)C1)C1CCCCC1 ZINC000659327584 431028340 /nfs/dbraw/zinc/02/83/40/431028340.db2.gz PZNLHSBMLNYGFV-UHFFFAOYSA-N 1 3 321.509 2.809 20 0 DFADHO CCc1nc2c(s1)[C@H](N(C)C[C@H]1CCC3(C[NH2+]C3)O1)CCC2 ZINC000662278280 431029520 /nfs/dbraw/zinc/02/95/20/431029520.db2.gz DPJVIZXFDMVZFC-TZMCWYRMSA-N 1 3 321.490 2.536 20 0 DFADHO C[C@@H]1CCCN(Cc2nc(-c3ccco3)no2)[C@@H]1CCC[NH3+] ZINC000662313232 431044297 /nfs/dbraw/zinc/04/42/97/431044297.db2.gz HKIBAIWJOLXKRE-CHWSQXEVSA-N 1 3 304.394 2.669 20 0 DFADHO CC[C@H]1CCCCN1C(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313338 431044789 /nfs/dbraw/zinc/04/47/89/431044789.db2.gz KMJLDNFBCUDSIG-IXDOHACOSA-N 1 3 309.498 2.617 20 0 DFADHO C[NH+](C)CCC[C@@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)CCO1 ZINC000662324857 431045857 /nfs/dbraw/zinc/04/58/57/431045857.db2.gz ZIGLXGSDYJAWQA-OTWHNJEPSA-N 1 3 302.462 2.833 20 0 DFADHO COc1ccc(-c2cc(CN3CCC([C@@H](C)[NH3+])CC3)on2)cc1 ZINC000662245566 431012421 /nfs/dbraw/zinc/01/24/21/431012421.db2.gz KWLFHVNHJORTSS-CYBMUJFWSA-N 1 3 315.417 2.909 20 0 DFADHO CCc1oc2ccccc2c1CN(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249156 431012972 /nfs/dbraw/zinc/01/29/72/431012972.db2.gz RAZYCKSSHONLDI-CQSZACIVSA-N 1 3 314.429 2.948 20 0 DFADHO CN(Cc1ccc2c(c1)OCO2)Cc1cccc2c1CC[NH2+]C2 ZINC000662248744 431013581 /nfs/dbraw/zinc/01/35/81/431013581.db2.gz JCGAKRBOBCAIOL-UHFFFAOYSA-N 1 3 310.397 2.693 20 0 DFADHO C[NH+](C)CC[C@@H](NC(=O)C[C@@H]1NCc2ccccc21)C(C)(C)C ZINC000659293672 431014116 /nfs/dbraw/zinc/01/41/16/431014116.db2.gz XKZIOXDBLYSFGM-DLBZAZTESA-N 1 3 317.477 2.704 20 0 DFADHO Fc1ccccc1C1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254895 431015460 /nfs/dbraw/zinc/01/54/60/431015460.db2.gz MMLVKUWHJNDXFY-OAHLLOKOSA-N 1 3 304.409 2.526 20 0 DFADHO c1ccc(C[C@H]2CCCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662256156 431015600 /nfs/dbraw/zinc/01/56/00/431015600.db2.gz HJUHFLUKPSLOMF-QZTJIDSGSA-N 1 3 300.446 2.605 20 0 DFADHO c1ccc(C[C@H]2CCCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662256156 431015604 /nfs/dbraw/zinc/01/56/04/431015604.db2.gz HJUHFLUKPSLOMF-QZTJIDSGSA-N 1 3 300.446 2.605 20 0 DFADHO CCc1ccc(CN(C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662250971 431016255 /nfs/dbraw/zinc/01/62/55/431016255.db2.gz UMDAQRBWHRXOKK-GOSISDBHSA-N 1 3 300.446 2.734 20 0 DFADHO O=C(C[C@H]1NCc2ccccc21)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000659298302 431016327 /nfs/dbraw/zinc/01/63/27/431016327.db2.gz ZBKHARQYHMPGSW-GOSISDBHSA-N 1 3 307.397 2.505 20 0 DFADHO CC[N@H+](C[C@H]1CCC2(CNC2)O1)[C@@H](C)c1cccc(OC)c1 ZINC000662252139 431017212 /nfs/dbraw/zinc/01/72/12/431017212.db2.gz KJEXOBLPSDWTMM-WMLDXEAASA-N 1 3 304.434 2.599 20 0 DFADHO CC[N@@H+](C[C@H]1CCC2(CNC2)O1)[C@@H](C)c1cccc(OC)c1 ZINC000662252139 431017214 /nfs/dbraw/zinc/01/72/14/431017214.db2.gz KJEXOBLPSDWTMM-WMLDXEAASA-N 1 3 304.434 2.599 20 0 DFADHO Cc1ccc(C[C@@H]2CCC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256148 431017316 /nfs/dbraw/zinc/01/73/16/431017316.db2.gz HDZAXVIJGNBRJS-OALUTQOASA-N 1 3 314.473 2.771 20 0 DFADHO Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256148 431017318 /nfs/dbraw/zinc/01/73/18/431017318.db2.gz HDZAXVIJGNBRJS-OALUTQOASA-N 1 3 314.473 2.771 20 0 DFADHO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662254052 431017328 /nfs/dbraw/zinc/01/73/28/431017328.db2.gz DPOPYCDNDXFQBY-CZUORRHYSA-N 1 3 308.853 2.724 20 0 DFADHO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662254052 431017331 /nfs/dbraw/zinc/01/73/31/431017331.db2.gz DPOPYCDNDXFQBY-CZUORRHYSA-N 1 3 308.853 2.724 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(C2CCN(C)CC2)CC1)[C@H]1CC1(C)C ZINC000666086537 431110799 /nfs/dbraw/zinc/11/07/99/431110799.db2.gz DPZFBPGOQMKGJR-QZTJIDSGSA-N 1 3 307.526 2.959 20 0 DFADHO Cc1ccc([C@H](CNC(=O)C[C@@H]([NH3+])C(C)C)N2CCCC2)cc1 ZINC000645801973 431077997 /nfs/dbraw/zinc/07/79/97/431077997.db2.gz YLINIFGZDRSEEH-MSOLQXFVSA-N 1 3 317.477 2.622 20 0 DFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000649411726 431093197 /nfs/dbraw/zinc/09/31/97/431093197.db2.gz ZHBFLMFZHIJING-VQIMIIECSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000649411726 431093200 /nfs/dbraw/zinc/09/32/00/431093200.db2.gz ZHBFLMFZHIJING-VQIMIIECSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000649411726 431093208 /nfs/dbraw/zinc/09/32/08/431093208.db2.gz ZHBFLMFZHIJING-VQIMIIECSA-N 1 3 311.429 2.970 20 0 DFADHO C[C@H](c1cccnc1)N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000649414594 431096894 /nfs/dbraw/zinc/09/68/94/431096894.db2.gz KFVKXVZHOUCLQV-QGZVFWFLSA-N 1 3 316.493 2.540 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cncnc2C)[C@@H](C)C1 ZINC000655716500 431097012 /nfs/dbraw/zinc/09/70/12/431097012.db2.gz UNFKRDLIYDENJW-LESCRADOSA-N 1 3 320.481 2.573 20 0 DFADHO CCN(C(=O)[C@H](C)C[NH2+]C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368453030 279009074 /nfs/dbraw/zinc/00/90/74/279009074.db2.gz GMNACYPXEQXIOG-JFIYKMOQSA-N 1 3 317.477 2.526 20 0 DFADHO Cc1cncc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184325308 279025612 /nfs/dbraw/zinc/02/56/12/279025612.db2.gz JYERLNJRTNSYEV-IXDOHACOSA-N 1 3 305.466 2.930 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000371517501 288104979 /nfs/dbraw/zinc/10/49/79/288104979.db2.gz FDRGTELHYOWOPG-ZJXIFLPPSA-N 1 3 315.505 2.998 20 0 DFADHO Cc1nc2ccccc2n1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261818069 279129622 /nfs/dbraw/zinc/12/96/22/279129622.db2.gz WJGNDXBQYHBUPG-ZACQAIPSSA-N 1 3 312.461 2.855 20 0 DFADHO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000122284176 279223216 /nfs/dbraw/zinc/22/32/16/279223216.db2.gz XZZLFZOWMGYSLY-ZJPYXAASSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000122284176 279223217 /nfs/dbraw/zinc/22/32/17/279223217.db2.gz XZZLFZOWMGYSLY-ZJPYXAASSA-N 1 3 323.525 2.876 20 0 DFADHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361495210 279299805 /nfs/dbraw/zinc/29/98/05/279299805.db2.gz CQJMQSMBDGESGJ-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361495210 279299807 /nfs/dbraw/zinc/29/98/07/279299807.db2.gz CQJMQSMBDGESGJ-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662683413 431162754 /nfs/dbraw/zinc/16/27/54/431162754.db2.gz NTFZSPDBUODYPP-HZPDHXFCSA-N 1 3 321.509 2.535 20 0 DFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](N)CC1CCCCC1 ZINC000662695237 431164010 /nfs/dbraw/zinc/16/40/10/431164010.db2.gz XYWMEQRMTYNMIL-NVXWUHKLSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)CC1CCCCC1 ZINC000662695239 431164596 /nfs/dbraw/zinc/16/45/96/431164596.db2.gz XYWMEQRMTYNMIL-WBVHZDCISA-N 1 3 309.498 2.521 20 0 DFADHO COc1cccc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c1OC(F)F ZINC000655825546 431170854 /nfs/dbraw/zinc/17/08/54/431170854.db2.gz HHZJLTFPRICIRG-BJHJDKERSA-N 1 3 314.376 2.726 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)[C@H]1[NH2+]CCC1(C)C)c1ccccc1 ZINC000662719456 431173821 /nfs/dbraw/zinc/17/38/21/431173821.db2.gz ZTXPRXGDUBQXKM-GDBMZVCRSA-N 1 3 317.477 2.620 20 0 DFADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)C[C@@H]3CCCN3C)C2)s1 ZINC000649603432 431191238 /nfs/dbraw/zinc/19/12/38/431191238.db2.gz MFQPPZYMSSJMJZ-IRXDYDNUSA-N 1 3 321.534 2.904 20 0 DFADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)C[C@@H]3CCCN3C)C2)s1 ZINC000649603432 431191241 /nfs/dbraw/zinc/19/12/41/431191241.db2.gz MFQPPZYMSSJMJZ-IRXDYDNUSA-N 1 3 321.534 2.904 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668152 431157214 /nfs/dbraw/zinc/15/72/14/431157214.db2.gz IKJINZRZKPCNFB-SJLPKXTDSA-N 1 3 321.509 2.807 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662668152 431157222 /nfs/dbraw/zinc/15/72/22/431157222.db2.gz IKJINZRZKPCNFB-SJLPKXTDSA-N 1 3 321.509 2.807 20 0 DFADHO CN[C@@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667419 431157437 /nfs/dbraw/zinc/15/74/37/431157437.db2.gz AAJXHNIHYQBZJG-ZBFHGGJFSA-N 1 3 309.498 2.534 20 0 DFADHO CN[C@@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667419 431157443 /nfs/dbraw/zinc/15/74/43/431157443.db2.gz AAJXHNIHYQBZJG-ZBFHGGJFSA-N 1 3 309.498 2.534 20 0 DFADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@H]3CCC[C@@H](O)C3)C2)CC1 ZINC000659865821 431158023 /nfs/dbraw/zinc/15/80/23/431158023.db2.gz QJQSEFVMZWIRLL-GBESFXJTSA-N 1 3 308.510 2.981 20 0 DFADHO CC1CCN(C[C@@H]2CCC[N@H+](C[C@H]3CCC[C@@H](O)C3)C2)CC1 ZINC000659865821 431158027 /nfs/dbraw/zinc/15/80/27/431158027.db2.gz QJQSEFVMZWIRLL-GBESFXJTSA-N 1 3 308.510 2.981 20 0 DFADHO CC1CCN(C[C@@H]2CCC[N@@H+](C[C@H]3CCC[C@@H](O)C3)C2)CC1 ZINC000659865821 431158030 /nfs/dbraw/zinc/15/80/30/431158030.db2.gz QJQSEFVMZWIRLL-GBESFXJTSA-N 1 3 308.510 2.981 20 0 DFADHO Cc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1F ZINC000666565290 431275879 /nfs/dbraw/zinc/27/58/79/431275879.db2.gz KTDMFJVUYCJGRY-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO Cc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1F ZINC000666565290 431275884 /nfs/dbraw/zinc/27/58/84/431275884.db2.gz KTDMFJVUYCJGRY-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO CO[C@H](CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CCCCC1 ZINC000660118438 431277061 /nfs/dbraw/zinc/27/70/61/431277061.db2.gz UYOOKTZGWVLOOS-FCGDIQPGSA-N 1 3 324.509 2.765 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000653152282 431284212 /nfs/dbraw/zinc/28/42/12/431284212.db2.gz HVRLLGYIRJASDK-IAGOWNOFSA-N 1 3 301.434 2.526 20 0 DFADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000660150887 431291157 /nfs/dbraw/zinc/29/11/57/431291157.db2.gz MSCGZPFSTXDNIW-QRVBRYPASA-N 1 3 319.537 2.913 20 0 DFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)[C@@H]1CCC[C@H]1O ZINC000660167012 431300165 /nfs/dbraw/zinc/30/01/65/431300165.db2.gz XFXVWGVIVFPVRP-QZTJIDSGSA-N 1 3 303.450 2.533 20 0 DFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)[C@@H]1CCC[C@H]1O ZINC000660167012 431300170 /nfs/dbraw/zinc/30/01/70/431300170.db2.gz XFXVWGVIVFPVRP-QZTJIDSGSA-N 1 3 303.450 2.533 20 0 DFADHO Cc1cc(C[C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)n(-c2ccccc2)n1 ZINC000656198189 431304989 /nfs/dbraw/zinc/30/49/89/431304989.db2.gz MIBFUZXVPSNGKW-BHYGNILZSA-N 1 3 312.461 2.971 20 0 DFADHO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCC[C@H](N)C2)n(-c2ccccc2)n1 ZINC000656198189 431304997 /nfs/dbraw/zinc/30/49/97/431304997.db2.gz MIBFUZXVPSNGKW-BHYGNILZSA-N 1 3 312.461 2.971 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653122333 431273121 /nfs/dbraw/zinc/27/31/21/431273121.db2.gz UBLCEARUGSWKKW-JKSUJKDBSA-N 1 3 301.434 2.526 20 0 DFADHO O=C(CNC1CC1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253104 431337648 /nfs/dbraw/zinc/33/76/48/431337648.db2.gz HEOXSXRELFUFGQ-UHFFFAOYSA-N 1 3 319.474 2.565 20 0 DFADHO COc1cc2nccc(N3CCC(CC[NH3+])CC3)c2cc1OC ZINC000663242119 431339641 /nfs/dbraw/zinc/33/96/41/431339641.db2.gz LZPSHWZCGLZUPK-UHFFFAOYSA-N 1 3 315.417 2.817 20 0 DFADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCC(C(N)=O)CC3)CC2)C1 ZINC000358185313 279688706 /nfs/dbraw/zinc/68/87/06/279688706.db2.gz YHKLISFTWMQEJC-USSHROBNSA-N 1 3 321.509 2.663 20 0 DFADHO Cc1nn2c(CNCC[C@H]3CCC[NH2+]C3)c(C(C)C)nc2s1 ZINC000666792230 431358777 /nfs/dbraw/zinc/35/87/77/431358777.db2.gz XEMQOSNDTFJMEA-CYBMUJFWSA-N 1 3 321.494 2.702 20 0 DFADHO Cc1nn(-c2ccccc2)c(C)c1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666950756 431420188 /nfs/dbraw/zinc/42/01/88/431420188.db2.gz FBOHNOPHVISBAP-SFHVURJKSA-N 1 3 310.445 2.721 20 0 DFADHO COc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)cc1OC(F)F ZINC000666950969 431421062 /nfs/dbraw/zinc/42/10/62/431421062.db2.gz UQUZQUYKGJEPHO-CQSZACIVSA-N 1 3 312.360 2.528 20 0 DFADHO CCCOc1cc(CN[C@H]2CC23CC[NH2+]CC3)ccc1OC ZINC000666950926 431421084 /nfs/dbraw/zinc/42/10/84/431421084.db2.gz QVLMZYUEHNRAAH-KRWDZBQOSA-N 1 3 304.434 2.716 20 0 DFADHO Cc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000666952164 431423099 /nfs/dbraw/zinc/42/30/99/431423099.db2.gz IRJFKOFYHHIKES-CQSZACIVSA-N 1 3 309.251 2.989 20 0 DFADHO c1cn2c(CN[C@@H]3CC34CC[NH2+]CC4)c(C3CC3)nc2s1 ZINC000666951984 431423431 /nfs/dbraw/zinc/42/34/31/431423431.db2.gz AYXIMJOJXDZUFW-CYBMUJFWSA-N 1 3 302.447 2.505 20 0 DFADHO C[C@H](CCNCCC(=O)N(C)c1ccccc1)[NH+]1CCCCC1 ZINC000663360457 431384364 /nfs/dbraw/zinc/38/43/64/431384364.db2.gz OHXDEQRFJHKAAX-QGZVFWFLSA-N 1 3 317.477 2.894 20 0 DFADHO C[C@H](CC[NH2+]CCC(=O)N(C)c1ccccc1)N1CCCCC1 ZINC000663360457 431384371 /nfs/dbraw/zinc/38/43/71/431384371.db2.gz OHXDEQRFJHKAAX-QGZVFWFLSA-N 1 3 317.477 2.894 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC000663359910 431384754 /nfs/dbraw/zinc/38/47/54/431384754.db2.gz KUMZJHYEXHXWKV-QGZVFWFLSA-N 1 3 317.477 2.750 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC000663359910 431384761 /nfs/dbraw/zinc/38/47/61/431384761.db2.gz KUMZJHYEXHXWKV-QGZVFWFLSA-N 1 3 317.477 2.750 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663359910 431384769 /nfs/dbraw/zinc/38/47/69/431384769.db2.gz KUMZJHYEXHXWKV-QGZVFWFLSA-N 1 3 317.477 2.750 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000666858087 431386379 /nfs/dbraw/zinc/38/63/79/431386379.db2.gz WIUXPWFRUKZVDW-HOTGVXAUSA-N 1 3 303.450 2.752 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)N1CCCCC1 ZINC000354783297 279789584 /nfs/dbraw/zinc/78/95/84/279789584.db2.gz FWTDBABPBUPPFE-ROUUACIJSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995339 431437345 /nfs/dbraw/zinc/43/73/45/431437345.db2.gz KJQQWQYSQHMKQZ-BBRMVZONSA-N 1 3 319.424 2.807 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995339 431437350 /nfs/dbraw/zinc/43/73/50/431437350.db2.gz KJQQWQYSQHMKQZ-BBRMVZONSA-N 1 3 319.424 2.807 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995187 431437528 /nfs/dbraw/zinc/43/75/28/431437528.db2.gz FOWWSQSXLSZTLH-HOTGVXAUSA-N 1 3 315.461 2.976 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995187 431437534 /nfs/dbraw/zinc/43/75/34/431437534.db2.gz FOWWSQSXLSZTLH-HOTGVXAUSA-N 1 3 315.461 2.976 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@H]3CCC[C@H]3C[NH3+])n2)cc1 ZINC000647121381 431467044 /nfs/dbraw/zinc/46/70/44/431467044.db2.gz WTHMLROTMGBIIL-GJZGRUSLSA-N 1 3 300.406 2.641 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000653762170 431515935 /nfs/dbraw/zinc/51/59/35/431515935.db2.gz YYAQTPDWZMGZSF-QZTJIDSGSA-N 1 3 302.462 2.569 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000653762170 431515939 /nfs/dbraw/zinc/51/59/39/431515939.db2.gz YYAQTPDWZMGZSF-QZTJIDSGSA-N 1 3 302.462 2.569 20 0 DFADHO CN1CC[C@]2(CC[N@H+](CCc3nsc4ccccc43)C2)C1 ZINC000660616313 431515986 /nfs/dbraw/zinc/51/59/86/431515986.db2.gz JNZRGKXTVHVFLI-KRWDZBQOSA-N 1 3 301.459 2.866 20 0 DFADHO CN1CC[C@]2(CC[N@@H+](CCc3nsc4ccccc43)C2)C1 ZINC000660616313 431515990 /nfs/dbraw/zinc/51/59/90/431515990.db2.gz JNZRGKXTVHVFLI-KRWDZBQOSA-N 1 3 301.459 2.866 20 0 DFADHO CCN(C)c1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000656785450 431522571 /nfs/dbraw/zinc/52/25/71/431522571.db2.gz HSABSPFECUJCMS-SFHVURJKSA-N 1 3 316.493 2.749 20 0 DFADHO c1cncc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCO2)c1 ZINC000647244868 431524036 /nfs/dbraw/zinc/52/40/36/431524036.db2.gz JWCWLMJAFCVXDF-ZJPYXAASSA-N 1 3 301.434 2.518 20 0 DFADHO c1cncc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCO2)c1 ZINC000647244868 431524043 /nfs/dbraw/zinc/52/40/43/431524043.db2.gz JWCWLMJAFCVXDF-ZJPYXAASSA-N 1 3 301.434 2.518 20 0 DFADHO CC(C)n1cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cn1 ZINC000647248898 431528581 /nfs/dbraw/zinc/52/85/81/431528581.db2.gz MZSKCFRDWORWIM-MOPGFXCFSA-N 1 3 312.461 2.899 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000660538168 431481811 /nfs/dbraw/zinc/48/18/11/431481811.db2.gz NDVFPVCVQSQBSX-NMLBUPMWSA-N 1 3 316.489 2.956 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000660538168 431481815 /nfs/dbraw/zinc/48/18/15/431481815.db2.gz NDVFPVCVQSQBSX-NMLBUPMWSA-N 1 3 316.489 2.956 20 0 DFADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CO[C@H](C)C2)cc1 ZINC000647171929 431490704 /nfs/dbraw/zinc/49/07/04/431490704.db2.gz AWDOPETXZNNTCC-NVXWUHKLSA-N 1 3 306.450 2.674 20 0 DFADHO CN1C[C@@H](C[NH2+]C2CCN(C3CC3)CC2)[C@H](c2ccccc2)C1 ZINC000647344464 431558605 /nfs/dbraw/zinc/55/86/05/431558605.db2.gz RAPUYIRCUNTNSJ-XLIONFOSSA-N 1 3 313.489 2.548 20 0 DFADHO CC(C)C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccncc1 ZINC000647282734 431536011 /nfs/dbraw/zinc/53/60/11/431536011.db2.gz QFVKBCJWVRWTRR-IBGZPJMESA-N 1 3 318.509 2.786 20 0 DFADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000660659101 431536664 /nfs/dbraw/zinc/53/66/64/431536664.db2.gz MWPCXSGPRNJAIP-IBGZPJMESA-N 1 3 311.429 2.858 20 0 DFADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000660659101 431536667 /nfs/dbraw/zinc/53/66/67/431536667.db2.gz MWPCXSGPRNJAIP-IBGZPJMESA-N 1 3 311.429 2.858 20 0 DFADHO CC[NH+]1CCC(CCN[C@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647290596 431538740 /nfs/dbraw/zinc/53/87/40/431538740.db2.gz MFTMASRAAPDFAT-OAHLLOKOSA-N 1 3 304.482 2.992 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)C1 ZINC000650705867 431653696 /nfs/dbraw/zinc/65/36/96/431653696.db2.gz ZFTOOUFLHNBGAE-CPUCHLNUSA-N 1 3 310.388 2.683 20 0 DFADHO Cc1ccc(F)c(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650706669 431654189 /nfs/dbraw/zinc/65/41/89/431654189.db2.gz PYLWVXGCRBWWFC-YXJHDRRASA-N 1 3 306.425 2.852 20 0 DFADHO COc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(F)c1 ZINC000650708983 431655910 /nfs/dbraw/zinc/65/59/10/431655910.db2.gz XSPOLHAEFUENRB-MPGHIAIKSA-N 1 3 322.424 2.553 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4OCC[C@H]43)CC2)ccn1 ZINC000297320359 280469560 /nfs/dbraw/zinc/46/95/60/280469560.db2.gz CFUYKNRXOHUPHW-RCCFBDPRSA-N 1 3 301.434 2.598 20 0 DFADHO Cc1cccn2c(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cnc12 ZINC000647543405 431624277 /nfs/dbraw/zinc/62/42/77/431624277.db2.gz MUOPTNOKKDEAHL-DLBZAZTESA-N 1 3 312.461 2.854 20 0 DFADHO COc1cccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1OC ZINC000647543227 431624519 /nfs/dbraw/zinc/62/45/19/431624519.db2.gz JRWOYECSDBXAGS-HZPDHXFCSA-N 1 3 318.461 2.915 20 0 DFADHO COc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543910 431624852 /nfs/dbraw/zinc/62/48/52/431624852.db2.gz UJGUOSIYLMFBOP-IAGOWNOFSA-N 1 3 318.461 2.915 20 0 DFADHO Cc1ccc(F)cc1CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723266 431664300 /nfs/dbraw/zinc/66/43/00/431664300.db2.gz KMPIUTMMPONRAC-RCCFBDPRSA-N 1 3 306.425 2.995 20 0 DFADHO COc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722694 431664529 /nfs/dbraw/zinc/66/45/29/431664529.db2.gz ZYPOYWBHRKRZOH-CGTJXYLNSA-N 1 3 304.434 2.556 20 0 DFADHO Cc1nn(C(C)C)cc1CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650724016 431664950 /nfs/dbraw/zinc/66/49/50/431664950.db2.gz XGFNJBFWAOSNPI-KURKYZTESA-N 1 3 320.481 2.633 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cnc(C3CC3)s2)C1 ZINC000650723911 431665606 /nfs/dbraw/zinc/66/56/06/431665606.db2.gz VTLNPSPAORHLHM-BMFZPTHFSA-N 1 3 321.490 2.881 20 0 DFADHO CCOc1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650721750 431665629 /nfs/dbraw/zinc/66/56/29/431665629.db2.gz ABZRWEFCYWIBFG-UHOSZYNNSA-N 1 3 318.461 2.946 20 0 DFADHO COc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722696 431666034 /nfs/dbraw/zinc/66/60/34/431666034.db2.gz ZYPOYWBHRKRZOH-KBAYOESNSA-N 1 3 304.434 2.556 20 0 DFADHO CCN1CC[C@H](C[NH2+]Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000657314823 431668312 /nfs/dbraw/zinc/66/83/12/431668312.db2.gz AZDRKGREBIHNID-NVXWUHKLSA-N 1 3 306.450 2.532 20 0 DFADHO COCc1cccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650724136 431669416 /nfs/dbraw/zinc/66/94/16/431669416.db2.gz YQOOQCVMCPSADF-GUDVDZBRSA-N 1 3 318.461 2.694 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCCc2c1ccc(=O)n2C ZINC000650724606 431669511 /nfs/dbraw/zinc/66/95/11/431669511.db2.gz JBZYSAGRRHWQPR-BFYDXBDKSA-N 1 3 317.477 2.663 20 0 DFADHO c1nc2n(c1CNCC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000657328692 431681001 /nfs/dbraw/zinc/68/10/01/431681001.db2.gz BNCVVCIQYGBRFW-UHFFFAOYSA-N 1 3 324.472 2.831 20 0 DFADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1cccc(-n2ccnn2)c1 ZINC000650755790 431682169 /nfs/dbraw/zinc/68/21/69/431682169.db2.gz MTGWUXZFMQQTIE-OAHLLOKOSA-N 1 3 321.428 2.838 20 0 DFADHO Fc1cccc(OC(F)F)c1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647789320 431688173 /nfs/dbraw/zinc/68/81/73/431688173.db2.gz APFZPFKLDVLQOY-QJPTWQEYSA-N 1 3 314.351 2.905 20 0 DFADHO CCC[NH+]1CCC(CNCc2cc(C(F)(F)F)nn2C)CC1 ZINC000657348160 431692913 /nfs/dbraw/zinc/69/29/13/431692913.db2.gz MNYLFFVHMXCBIZ-UHFFFAOYSA-N 1 3 318.387 2.651 20 0 DFADHO C[C@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)[C@H]1CCCNC1 ZINC000647801621 431694694 /nfs/dbraw/zinc/69/46/94/431694694.db2.gz ZRZWYHUJDWDORE-SOUVJXGZSA-N 1 3 306.475 2.908 20 0 DFADHO C[C@H](NCC[C@@H]1CSc2ccccc2O1)[C@H]1CCC[NH2+]C1 ZINC000647801621 431694698 /nfs/dbraw/zinc/69/46/98/431694698.db2.gz ZRZWYHUJDWDORE-SOUVJXGZSA-N 1 3 306.475 2.908 20 0 DFADHO COCCc1nc(C)c([C@@H](C)NCc2ccc(C[NH3+])cc2)s1 ZINC000647803151 431694798 /nfs/dbraw/zinc/69/47/98/431694798.db2.gz IDBLWYDVLQGPES-GFCCVEGCSA-N 1 3 319.474 2.950 20 0 DFADHO O=C(CCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCC1CCCCC1 ZINC000647903455 431724623 /nfs/dbraw/zinc/72/46/23/431724623.db2.gz JKHRMFNMONCGAT-ROUUACIJSA-N 1 3 321.509 2.537 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000647964572 431754831 /nfs/dbraw/zinc/75/48/31/431754831.db2.gz PGMJDZLIJILYRE-RHSMWYFYSA-N 1 3 312.885 2.904 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000647964572 431754834 /nfs/dbraw/zinc/75/48/34/431754834.db2.gz PGMJDZLIJILYRE-RHSMWYFYSA-N 1 3 312.885 2.904 20 0 DFADHO CCCN(C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000647965031 431755599 /nfs/dbraw/zinc/75/55/99/431755599.db2.gz COTMOYJGBUNMNB-ZACQAIPSSA-N 1 3 314.514 2.603 20 0 DFADHO CCCN(C[C@H](O)C[N@@H+](C)C(C)C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000647965031 431755607 /nfs/dbraw/zinc/75/56/07/431755607.db2.gz COTMOYJGBUNMNB-ZACQAIPSSA-N 1 3 314.514 2.603 20 0 DFADHO Fc1ccccc1OCCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975880 431760974 /nfs/dbraw/zinc/76/09/74/431760974.db2.gz HDVWKRKPZAADAZ-HOTGVXAUSA-N 1 3 306.425 2.916 20 0 DFADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NC1CCCCCC1 ZINC000647975268 431762617 /nfs/dbraw/zinc/76/26/17/431762617.db2.gz TYYQAXMLQZJDPP-DLBZAZTESA-N 1 3 321.509 2.537 20 0 DFADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978282 431762879 /nfs/dbraw/zinc/76/28/79/431762879.db2.gz PIBJBXGVHOKFAM-OKZBNKHCSA-N 1 3 323.525 2.591 20 0 DFADHO CN(C)CCC[N@H+](C)CCNc1nccc2ccc(F)cc21 ZINC000664248469 431715241 /nfs/dbraw/zinc/71/52/41/431715241.db2.gz XZWKWQQUVHIVPE-UHFFFAOYSA-N 1 3 304.413 2.669 20 0 DFADHO CN(C)CCC[N@@H+](C)CCNc1nccc2ccc(F)cc21 ZINC000664248469 431715243 /nfs/dbraw/zinc/71/52/43/431715243.db2.gz XZWKWQQUVHIVPE-UHFFFAOYSA-N 1 3 304.413 2.669 20 0 DFADHO COc1ccc(CCN(CC(C)C)C[C@@H]2CC[NH2+]C2)cc1OC ZINC000647885908 431719110 /nfs/dbraw/zinc/71/91/10/431719110.db2.gz JUUYDFGREIWIOJ-QGZVFWFLSA-N 1 3 320.477 2.814 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000657573678 431815141 /nfs/dbraw/zinc/81/51/41/431815141.db2.gz OMAYQHDSEDUCGJ-HLLBOEOZSA-N 1 3 307.482 2.765 20 0 DFADHO CN(C)C[C@H](NC(=O)C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000648154036 431827277 /nfs/dbraw/zinc/82/72/77/431827277.db2.gz TWCCJCHXSXCXAQ-BCLQGDPASA-N 1 3 323.868 2.576 20 0 DFADHO CCC(CC)(C[NH3+])C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000262064896 282071491 /nfs/dbraw/zinc/07/14/91/282071491.db2.gz WFVWAPCVKQBLRQ-INIZCTEOSA-N 1 3 305.466 2.691 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCN(CC)C2)cc1 ZINC000412841982 289099983 /nfs/dbraw/zinc/09/99/83/289099983.db2.gz NRKJIQVTYPFYCQ-SFHVURJKSA-N 1 3 317.477 2.743 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCN(CC)C2)cc1 ZINC000412841982 289099984 /nfs/dbraw/zinc/09/99/84/289099984.db2.gz NRKJIQVTYPFYCQ-SFHVURJKSA-N 1 3 317.477 2.743 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000369355910 289226094 /nfs/dbraw/zinc/22/60/94/289226094.db2.gz ZEWZYAASCSMRJE-KRWDZBQOSA-N 1 3 318.465 2.696 20 0 DFADHO C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)N1CCCCCC1 ZINC000125280391 289262309 /nfs/dbraw/zinc/26/23/09/289262309.db2.gz SICQIBCDVWHQNC-IAGOWNOFSA-N 1 3 321.509 2.726 20 0 DFADHO C[C@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)N1CCCCCC1 ZINC000125280391 289262314 /nfs/dbraw/zinc/26/23/14/289262314.db2.gz SICQIBCDVWHQNC-IAGOWNOFSA-N 1 3 321.509 2.726 20 0 DFADHO C[C@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N1CCCCCC1 ZINC000074590438 289268493 /nfs/dbraw/zinc/26/84/93/289268493.db2.gz OYQLBGVFTPSTNL-MSOLQXFVSA-N 1 3 321.509 2.728 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccccc1-n1ccnn1 ZINC000286227387 290048250 /nfs/dbraw/zinc/04/82/50/290048250.db2.gz SRRNNYDBFSZZQD-HRCADAONSA-N 1 3 313.449 2.791 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+]CCC(C)(C)C)cc2)CC1 ZINC000438088474 297079168 /nfs/dbraw/zinc/07/91/68/297079168.db2.gz KAVRSWLNMFJXSQ-UHFFFAOYSA-N 1 3 303.494 2.960 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(F)c(OC)c1 ZINC000154184567 295293950 /nfs/dbraw/zinc/29/39/50/295293950.db2.gz YRASRIMEWMMLSY-ZFWWWQNUSA-N 1 3 312.429 2.842 20 0 DFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc2c(s1)CCC2 ZINC000154391946 295299065 /nfs/dbraw/zinc/29/90/65/295299065.db2.gz XUWCMBLIIQERHK-OAHLLOKOSA-N 1 3 321.534 2.915 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000237898345 295310958 /nfs/dbraw/zinc/31/09/58/295310958.db2.gz XAQSUBNKXCIKRP-ZNMIVQPWSA-N 1 3 321.490 2.519 20 0 DFADHO COc1cccc([C@H](C[NH2+]C2CCN(C3CC3)CC2)N(C)C)c1 ZINC000298239412 295326182 /nfs/dbraw/zinc/32/61/82/295326182.db2.gz CBHKRNYMORDIKG-IBGZPJMESA-N 1 3 317.477 2.514 20 0 DFADHO COc1cccc([C@H](CNC2CC[NH+](C3CC3)CC2)N(C)C)c1 ZINC000298239412 295326184 /nfs/dbraw/zinc/32/61/84/295326184.db2.gz CBHKRNYMORDIKG-IBGZPJMESA-N 1 3 317.477 2.514 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H]1CCCN1CC1CCCCC1 ZINC000159227110 295374100 /nfs/dbraw/zinc/37/41/00/295374100.db2.gz YSKGOBHORPZWPJ-NEWSRXKRSA-N 1 3 307.526 2.961 20 0 DFADHO C[C@@H](NCCc1ccc(Br)s1)[C@H]1CC[NH2+]C1 ZINC000400360522 295497338 /nfs/dbraw/zinc/49/73/38/295497338.db2.gz NLNRRQUURLLENQ-ZJUUUORDSA-N 1 3 303.269 2.641 20 0 DFADHO C[C@H]1CN(CCC2CC[NH+](CC3(O)CCCC3)CC2)C[C@H](C)O1 ZINC000438575947 297099629 /nfs/dbraw/zinc/09/96/29/297099629.db2.gz DNNSEVIRVJKWDV-IRXDYDNUSA-N 1 3 324.509 2.503 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439484615 297128646 /nfs/dbraw/zinc/12/86/46/297128646.db2.gz FYAHDTZYXZFHEA-FRQCXROJSA-N 1 3 322.493 2.915 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439484615 297128647 /nfs/dbraw/zinc/12/86/47/297128647.db2.gz FYAHDTZYXZFHEA-FRQCXROJSA-N 1 3 322.493 2.915 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439484617 297128693 /nfs/dbraw/zinc/12/86/93/297128693.db2.gz FYAHDTZYXZFHEA-TXPKVOOTSA-N 1 3 322.493 2.915 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439484617 297128694 /nfs/dbraw/zinc/12/86/94/297128694.db2.gz FYAHDTZYXZFHEA-TXPKVOOTSA-N 1 3 322.493 2.915 20 0 DFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439831013 297139561 /nfs/dbraw/zinc/13/95/61/297139561.db2.gz BKTRQRJBHQVFQI-JZXOWHBKSA-N 1 3 321.509 2.773 20 0 DFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439831013 297139562 /nfs/dbraw/zinc/13/95/62/297139562.db2.gz BKTRQRJBHQVFQI-JZXOWHBKSA-N 1 3 321.509 2.773 20 0 DFADHO C[C@H](CCc1ccccc1)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441339013 297179975 /nfs/dbraw/zinc/17/99/75/297179975.db2.gz GXFCFTQCTYKXQN-GOSISDBHSA-N 1 3 317.521 2.871 20 0 DFADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCN1CCC2(CCCCC2)CC1 ZINC000442868239 297208848 /nfs/dbraw/zinc/20/88/48/297208848.db2.gz NJBLSFFJORPTCV-ROUUACIJSA-N 1 3 307.526 2.963 20 0 DFADHO CCc1ccccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000445805326 297267117 /nfs/dbraw/zinc/26/71/17/297267117.db2.gz JKIBWOGBBFIAHW-QGZVFWFLSA-N 1 3 315.505 2.849 20 0 DFADHO CCc1ccccc1CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000445805326 297267119 /nfs/dbraw/zinc/26/71/19/297267119.db2.gz JKIBWOGBBFIAHW-QGZVFWFLSA-N 1 3 315.505 2.849 20 0 DFADHO CN(CCN(C)CC1([NH+](C)C)CCC1)Cc1ccc(F)cc1 ZINC000445843684 297268668 /nfs/dbraw/zinc/26/86/68/297268668.db2.gz SXZHQZQPXWDKPM-UHFFFAOYSA-N 1 3 307.457 2.674 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)N2CCCC2)CCN1C ZINC000134068623 297284212 /nfs/dbraw/zinc/28/42/12/297284212.db2.gz JRHBUOZBHDNCLJ-NEWSRXKRSA-N 1 3 301.478 2.896 20 0 DFADHO CCOC1CC(O)(CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000446850379 297288756 /nfs/dbraw/zinc/28/87/56/297288756.db2.gz YPKOBHMBAXJYNL-BJMVHTGZSA-N 1 3 324.509 2.549 20 0 DFADHO CCOC1CC(O)(C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000446850379 297288757 /nfs/dbraw/zinc/28/87/57/297288757.db2.gz YPKOBHMBAXJYNL-BJMVHTGZSA-N 1 3 324.509 2.549 20 0 DFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)N(CC)CC ZINC000448444911 297339646 /nfs/dbraw/zinc/33/96/46/297339646.db2.gz RJDDONNMLPKLTE-SJORKVTESA-N 1 3 311.514 2.591 20 0 DFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)N(CC)CC ZINC000448444911 297339648 /nfs/dbraw/zinc/33/96/48/297339648.db2.gz RJDDONNMLPKLTE-SJORKVTESA-N 1 3 311.514 2.591 20 0 DFADHO CN[C@@H](CC(C)(C)C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000449117128 297408332 /nfs/dbraw/zinc/40/83/32/297408332.db2.gz NOPIILJKRPWDFT-INIZCTEOSA-N 1 3 305.466 2.753 20 0 DFADHO C[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1CCCCCC1 ZINC000074590446 298019820 /nfs/dbraw/zinc/01/98/20/298019820.db2.gz OYQLBGVFTPSTNL-QZTJIDSGSA-N 1 3 321.509 2.728 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)CO2 ZINC000453061239 298058719 /nfs/dbraw/zinc/05/87/19/298058719.db2.gz NMIBSZKODQTGHF-DOTOQJQBSA-N 1 3 318.461 2.710 20 0 DFADHO O[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21)C(F)F ZINC000453123048 298065093 /nfs/dbraw/zinc/06/50/93/298065093.db2.gz FPVOWEALZRWCFT-WCXIOVBPSA-N 1 3 324.415 2.645 20 0 DFADHO CN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453216192 298071947 /nfs/dbraw/zinc/07/19/47/298071947.db2.gz GJCNVFKABDSKBU-QRVBRYPASA-N 1 3 301.478 2.581 20 0 DFADHO CN(C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453216192 298071949 /nfs/dbraw/zinc/07/19/49/298071949.db2.gz GJCNVFKABDSKBU-QRVBRYPASA-N 1 3 301.478 2.581 20 0 DFADHO CN(C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453216192 298071952 /nfs/dbraw/zinc/07/19/52/298071952.db2.gz GJCNVFKABDSKBU-QRVBRYPASA-N 1 3 301.478 2.581 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ncccc2C)[C@@H](C)C1 ZINC000453306786 298082031 /nfs/dbraw/zinc/08/20/31/298082031.db2.gz JFTKTEZJBNBLOH-HKUYNNGSSA-N 1 3 319.493 2.659 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCc2ncccc2C)[C@@H](C)C1 ZINC000453306786 298082035 /nfs/dbraw/zinc/08/20/35/298082035.db2.gz JFTKTEZJBNBLOH-HKUYNNGSSA-N 1 3 319.493 2.659 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ncccc2C)[C@H](C)C1 ZINC000453306800 298082277 /nfs/dbraw/zinc/08/22/77/298082277.db2.gz JFTKTEZJBNBLOH-MJGOQNOKSA-N 1 3 319.493 2.659 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCc2ncccc2C)[C@H](C)C1 ZINC000453306800 298082278 /nfs/dbraw/zinc/08/22/78/298082278.db2.gz JFTKTEZJBNBLOH-MJGOQNOKSA-N 1 3 319.493 2.659 20 0 DFADHO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000453331363 298083710 /nfs/dbraw/zinc/08/37/10/298083710.db2.gz TYHNRZDMHSCJLR-BMGDILEWSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000453346521 298086128 /nfs/dbraw/zinc/08/61/28/298086128.db2.gz IGRWUSVFGBPREX-CKEIUWERSA-N 1 3 316.424 2.830 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ccc(C)cn2)[C@H](C)C1 ZINC000453439151 298095857 /nfs/dbraw/zinc/09/58/57/298095857.db2.gz VWAKJFRWCRNQEN-IEBWSBKVSA-N 1 3 319.493 2.659 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ccc(C)cn2)[C@H](C)C1 ZINC000453439151 298095861 /nfs/dbraw/zinc/09/58/61/298095861.db2.gz VWAKJFRWCRNQEN-IEBWSBKVSA-N 1 3 319.493 2.659 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C)CN(C)C ZINC000496419518 300060850 /nfs/dbraw/zinc/06/08/50/300060850.db2.gz QNCQAYULRLBABF-KKUMJFAQSA-N 1 3 313.486 2.562 20 0 DFADHO C[C@@H](CN[C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C)C[NH+](C)C ZINC000496419518 300060852 /nfs/dbraw/zinc/06/08/52/300060852.db2.gz QNCQAYULRLBABF-KKUMJFAQSA-N 1 3 313.486 2.562 20 0 DFADHO CCCN1CCC([NH2+][C@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000497090947 300159692 /nfs/dbraw/zinc/15/96/92/300159692.db2.gz QZAZOZABNAGRQG-KRWDZBQOSA-N 1 3 319.449 2.571 20 0 DFADHO CCCCN(CCCC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000511697284 300249935 /nfs/dbraw/zinc/24/99/35/300249935.db2.gz ABQFZKOSMDJACH-UHFFFAOYSA-N 1 3 311.514 2.878 20 0 DFADHO C[C@H]1C[N@H+](CCCCC(F)(F)F)CC[C@H]1N1CCN(C)CC1 ZINC000371301054 300255547 /nfs/dbraw/zinc/25/55/47/300255547.db2.gz CWZANTKCSRPXML-LSDHHAIUSA-N 1 3 321.431 2.677 20 0 DFADHO C[C@H]1C[N@@H+](CCCCC(F)(F)F)CC[C@H]1N1CCN(C)CC1 ZINC000371301054 300255550 /nfs/dbraw/zinc/25/55/50/300255550.db2.gz CWZANTKCSRPXML-LSDHHAIUSA-N 1 3 321.431 2.677 20 0 DFADHO C[C@H]1CN(CCCCC(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371301054 300255553 /nfs/dbraw/zinc/25/55/53/300255553.db2.gz CWZANTKCSRPXML-LSDHHAIUSA-N 1 3 321.431 2.677 20 0 DFADHO COCC1(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000515365311 300303304 /nfs/dbraw/zinc/30/33/04/300303304.db2.gz WIQFXGWDHOFNFC-NNZMDNLPSA-N 1 3 300.446 2.951 20 0 DFADHO COCC1(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000515365311 300303305 /nfs/dbraw/zinc/30/33/05/300303305.db2.gz WIQFXGWDHOFNFC-NNZMDNLPSA-N 1 3 300.446 2.951 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCCNC2)c1C ZINC000516423626 300342304 /nfs/dbraw/zinc/34/23/04/300342304.db2.gz BBKUIQHZAWQKLN-GDBMZVCRSA-N 1 3 303.450 2.752 20 0 DFADHO CN(C)CCC[NH+](CCCN(C)C)CC1Cc2ccccc2C1 ZINC000516692350 300355926 /nfs/dbraw/zinc/35/59/26/300355926.db2.gz MNGPMSABSIEVLA-UHFFFAOYSA-N 1 3 317.521 2.607 20 0 DFADHO C[C@@H](Cc1cccs1)NCc1cc(C2CC[NH2+]CC2)no1 ZINC000516921903 300368767 /nfs/dbraw/zinc/36/87/67/300368767.db2.gz VQIBZXIHMWSHCY-LBPRGKRZSA-N 1 3 305.447 2.924 20 0 DFADHO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCCNC1 ZINC000517553660 300399230 /nfs/dbraw/zinc/39/92/30/300399230.db2.gz FKQVDCPTYZVNGP-NVXWUHKLSA-N 1 3 319.468 2.768 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000520838225 300511381 /nfs/dbraw/zinc/51/13/81/300511381.db2.gz UKAXJUPJAPQURV-HOCLYGCPSA-N 1 3 323.506 2.637 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000520838223 300511550 /nfs/dbraw/zinc/51/15/50/300511550.db2.gz UKAXJUPJAPQURV-GDBMZVCRSA-N 1 3 323.506 2.637 20 0 DFADHO C[C@]1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)COc2ccccc2O1 ZINC000530214261 301029448 /nfs/dbraw/zinc/02/94/48/301029448.db2.gz WLPDGJKZFVEREC-OLMMMNRUSA-N 1 3 316.445 2.727 20 0 DFADHO C[C@@H]1[C@@H](N[C@H]2CC[NH2+]C23CCC3)CCCN1Cc1ccccc1 ZINC000530216015 301029698 /nfs/dbraw/zinc/02/96/98/301029698.db2.gz LSFJFBSFSYNOBF-NEWSRXKRSA-N 1 3 313.489 2.914 20 0 DFADHO C[C@@H](NCCc1cccc2c1OC(F)(F)O2)[C@H]1CCC[NH2+]C1 ZINC000530215274 301029752 /nfs/dbraw/zinc/02/97/52/301029752.db2.gz GGRAPGGTKLLZLN-YPMHNXCESA-N 1 3 312.360 2.528 20 0 DFADHO C[C@@H]([NH2+]CCc1cccc2c1OC(F)(F)O2)[C@H]1CCCNC1 ZINC000530215274 301029753 /nfs/dbraw/zinc/02/97/53/301029753.db2.gz GGRAPGGTKLLZLN-YPMHNXCESA-N 1 3 312.360 2.528 20 0 DFADHO C(=C/c1ccccc1)\CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249310 301034254 /nfs/dbraw/zinc/03/42/54/301034254.db2.gz VAHNYLFITLJXBG-QTWIXLPOSA-N 1 3 300.446 2.790 20 0 DFADHO C[C@@H](CC1CCCCC1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530881037 301069907 /nfs/dbraw/zinc/06/99/07/301069907.db2.gz YIUPUFWSTIKQJJ-INIZCTEOSA-N 1 3 311.514 2.545 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000531785873 301110115 /nfs/dbraw/zinc/11/01/15/301110115.db2.gz XUZPFIBQKMDIGO-WMZOPIPTSA-N 1 3 301.478 2.964 20 0 DFADHO C[C@@H]1CCN(CCNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000531984235 301123164 /nfs/dbraw/zinc/12/31/64/301123164.db2.gz POAXBUUFVAYHEZ-ZHALLVOQSA-N 1 3 307.526 2.961 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ccc(C)o2)[C@H](C)C1 ZINC000532195814 301135814 /nfs/dbraw/zinc/13/58/14/301135814.db2.gz JCZNFLLDPLOLFZ-QAPCUYQASA-N 1 3 308.466 2.857 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCc2ccc(C)o2)[C@H](C)C1 ZINC000532195814 301135815 /nfs/dbraw/zinc/13/58/15/301135815.db2.gz JCZNFLLDPLOLFZ-QAPCUYQASA-N 1 3 308.466 2.857 20 0 DFADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(N2CCOCC2)c1 ZINC000532506874 301157232 /nfs/dbraw/zinc/15/72/32/301157232.db2.gz XPILRHKBRGNMRD-SJORKVTESA-N 1 3 317.477 2.516 20 0 DFADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOCC2)c1 ZINC000532506874 301157233 /nfs/dbraw/zinc/15/72/33/301157233.db2.gz XPILRHKBRGNMRD-SJORKVTESA-N 1 3 317.477 2.516 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000532550472 301159483 /nfs/dbraw/zinc/15/94/83/301159483.db2.gz MQXBVHJROFLQRP-COXVUDFISA-N 1 3 309.885 2.873 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000532550472 301159484 /nfs/dbraw/zinc/15/94/84/301159484.db2.gz MQXBVHJROFLQRP-COXVUDFISA-N 1 3 309.885 2.873 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000532550472 301159486 /nfs/dbraw/zinc/15/94/86/301159486.db2.gz MQXBVHJROFLQRP-COXVUDFISA-N 1 3 309.885 2.873 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000534309150 301226549 /nfs/dbraw/zinc/22/65/49/301226549.db2.gz OXBSBIPTZDEWBZ-ZDUSSCGKSA-N 1 3 321.465 2.862 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000539688470 301346850 /nfs/dbraw/zinc/34/68/50/301346850.db2.gz JOCKQCAWLGMGLO-MAUKXSAKSA-N 1 3 319.518 2.988 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000539688470 301346854 /nfs/dbraw/zinc/34/68/54/301346854.db2.gz JOCKQCAWLGMGLO-MAUKXSAKSA-N 1 3 319.518 2.988 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000550198690 301647128 /nfs/dbraw/zinc/64/71/28/301647128.db2.gz DOLFBOPJVJGUAB-MRXNPFEDSA-N 1 3 311.514 2.545 20 0 DFADHO COC1CCN(C2(C[NH2+][C@H]3CCCC[C@H]3CN)CCCC2)CC1 ZINC000562959222 302018136 /nfs/dbraw/zinc/01/81/36/302018136.db2.gz IQQBPPBWRAOEBV-WMZOPIPTSA-N 1 3 323.525 2.517 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(N3CCCCCC3)nc2)C1 ZINC000563427318 302071715 /nfs/dbraw/zinc/07/17/15/302071715.db2.gz XODIDMQGVHWFII-SJORKVTESA-N 1 3 302.466 2.822 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1)C1CC1 ZINC000563961199 302111830 /nfs/dbraw/zinc/11/18/30/302111830.db2.gz ZBUNWFDHNQWQHT-ZIAGYGMSSA-N 1 3 303.450 2.527 20 0 DFADHO [NH3+]C1(CNC2CCN(c3nccs3)CC2)CCCCCC1 ZINC000564784468 302158384 /nfs/dbraw/zinc/15/83/84/302158384.db2.gz KEBTZWSVISRKFT-UHFFFAOYSA-N 1 3 308.495 2.753 20 0 DFADHO CC(=O)Nc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000564823845 302161125 /nfs/dbraw/zinc/16/11/25/302161125.db2.gz NDGHXDFDQATXJC-OTWHNJEPSA-N 1 3 315.461 2.698 20 0 DFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000564846888 302163603 /nfs/dbraw/zinc/16/36/03/302163603.db2.gz UUOSPROQJAUFQH-RBUKOAKNSA-N 1 3 304.478 2.690 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)CCc2ccccc2)C1 ZINC000564846888 302163606 /nfs/dbraw/zinc/16/36/06/302163606.db2.gz UUOSPROQJAUFQH-RBUKOAKNSA-N 1 3 304.478 2.690 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)CCc2ccccc2)C1 ZINC000564846888 302163610 /nfs/dbraw/zinc/16/36/10/302163610.db2.gz UUOSPROQJAUFQH-RBUKOAKNSA-N 1 3 304.478 2.690 20 0 DFADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@H](O)CCc2ccccc2)C1 ZINC000564850279 302164119 /nfs/dbraw/zinc/16/41/19/302164119.db2.gz RUSAMNFJPDSPCM-RTBURBONSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)C[N@H+]1CC[C@H](CNC[C@H](O)CCc2ccccc2)C1 ZINC000564850279 302164122 /nfs/dbraw/zinc/16/41/22/302164122.db2.gz RUSAMNFJPDSPCM-RTBURBONSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)CN1CC[C@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000564850279 302164123 /nfs/dbraw/zinc/16/41/23/302164123.db2.gz RUSAMNFJPDSPCM-RTBURBONSA-N 1 3 304.478 2.548 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000564941150 302175935 /nfs/dbraw/zinc/17/59/35/302175935.db2.gz ALTGAYDKZANBQW-QZTJIDSGSA-N 1 3 317.477 2.800 20 0 DFADHO CCCC1CCC(NCc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000565357874 302220456 /nfs/dbraw/zinc/22/04/56/302220456.db2.gz BJSJGSJCZWVGHV-UHFFFAOYSA-N 1 3 305.470 2.720 20 0 DFADHO CC(C)C[C@@H](CNC(=O)C(C)(C)N)[NH2+][C@H](C)c1ccccc1 ZINC000565361412 302220840 /nfs/dbraw/zinc/22/08/40/302220840.db2.gz NIRBZSVEMCBXMH-ZBFHGGJFSA-N 1 3 305.466 2.605 20 0 DFADHO O=C(CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)NC1CCCCC1 ZINC000566089600 302258693 /nfs/dbraw/zinc/25/86/93/302258693.db2.gz VNWBWSQBECOQQW-OKZBNKHCSA-N 1 3 321.509 2.726 20 0 DFADHO C[C@H](CNC[C@H](O)[C@@H](C)c1ccccc1)C[NH+]1CCCCC1 ZINC000566107361 302259949 /nfs/dbraw/zinc/25/99/49/302259949.db2.gz JRQWUXYGEFLMPV-AOIWGVFYSA-N 1 3 304.478 2.863 20 0 DFADHO C[C@H](C[NH2+]C[C@H](O)[C@@H](C)c1ccccc1)CN1CCCCC1 ZINC000566107361 302259952 /nfs/dbraw/zinc/25/99/52/302259952.db2.gz JRQWUXYGEFLMPV-AOIWGVFYSA-N 1 3 304.478 2.863 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000566294472 302275701 /nfs/dbraw/zinc/27/57/01/302275701.db2.gz DDNYHRYQDZRNLZ-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000566294472 302275704 /nfs/dbraw/zinc/27/57/04/302275704.db2.gz DDNYHRYQDZRNLZ-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000567280651 302347502 /nfs/dbraw/zinc/34/75/02/302347502.db2.gz MWULUDWDAXLJKQ-IBGZPJMESA-N 1 3 316.493 2.551 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000567642520 302375878 /nfs/dbraw/zinc/37/58/78/302375878.db2.gz OHGBHOHOUDIXHW-XYPHTWIQSA-N 1 3 309.885 2.920 20 0 DFADHO COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000567646076 302375912 /nfs/dbraw/zinc/37/59/12/302375912.db2.gz SDGWKRRZBVZIQB-OWCLPIDISA-N 1 3 306.450 2.688 20 0 DFADHO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2N)c2ccccc21 ZINC000567648428 302376682 /nfs/dbraw/zinc/37/66/82/302376682.db2.gz QGCHHVPNEQLIEL-YESZJQIVSA-N 1 3 301.434 2.734 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]C[C@H](O)CC2CCCC2)cc1 ZINC000567891347 302396656 /nfs/dbraw/zinc/39/66/56/302396656.db2.gz BFTFETUVWARIID-GOSISDBHSA-N 1 3 320.477 2.658 20 0 DFADHO CC(C)c1nc(CNCC2CC[NH+](C)CC2)c2ccccn21 ZINC000567903924 302397910 /nfs/dbraw/zinc/39/79/10/302397910.db2.gz GAADOVKRWGNEEL-UHFFFAOYSA-N 1 3 300.450 2.889 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCc2nc(-c3ccccn3)cs2)C1 ZINC000569355416 302514397 /nfs/dbraw/zinc/51/43/97/302514397.db2.gz LBBIYLFXZBXBDP-QWHCGFSZSA-N 1 3 302.447 2.607 20 0 DFADHO C[C@H](N[C@@H]1CCCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000573437014 302704434 /nfs/dbraw/zinc/70/44/34/302704434.db2.gz MCNMHMCBHQAVTA-ARFHVFGLSA-N 1 3 305.441 2.772 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCN(C)C)c2)C1(C)C ZINC000181524592 316062376 /nfs/dbraw/zinc/06/23/76/316062376.db2.gz DBIAPMIQHYBKBO-ZWKOTPCHSA-N 1 3 320.477 2.920 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCN[C@@H](c2nccn2C)C2CC2)C1 ZINC000183248418 316134978 /nfs/dbraw/zinc/13/49/78/316134978.db2.gz SNLWFDNAXCSGLF-DOTOQJQBSA-N 1 3 304.482 2.973 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCN[C@@H](c2nccn2C)C2CC2)C1 ZINC000183248418 316134981 /nfs/dbraw/zinc/13/49/81/316134981.db2.gz SNLWFDNAXCSGLF-DOTOQJQBSA-N 1 3 304.482 2.973 20 0 DFADHO C[C@@H](NCCOCC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185692533 316189818 /nfs/dbraw/zinc/18/98/18/316189818.db2.gz IOPNFCXSSKFLMO-OLZOCXBDSA-N 1 3 308.388 2.808 20 0 DFADHO C[C@@H](NCCOCC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185692533 316189822 /nfs/dbraw/zinc/18/98/22/316189822.db2.gz IOPNFCXSSKFLMO-OLZOCXBDSA-N 1 3 308.388 2.808 20 0 DFADHO C[C@@H]([NH2+]CCOCC(F)(F)F)[C@H]1CCCN(C2CCC2)C1 ZINC000185692533 316189826 /nfs/dbraw/zinc/18/98/26/316189826.db2.gz IOPNFCXSSKFLMO-OLZOCXBDSA-N 1 3 308.388 2.808 20 0 DFADHO COC[C@H](C)C[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000187764263 316214091 /nfs/dbraw/zinc/21/40/91/316214091.db2.gz XUBNLCUXEPHMNJ-MRXNPFEDSA-N 1 3 320.477 2.779 20 0 DFADHO COc1cc2c(cc1CN1CCC[C@@H](CC[NH3+])C1)O[C@@H](C)C2 ZINC000317068387 316247122 /nfs/dbraw/zinc/24/71/22/316247122.db2.gz ZJTOESVPZZCNPJ-KBPBESRZSA-N 1 3 304.434 2.579 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000321941630 316257831 /nfs/dbraw/zinc/25/78/31/316257831.db2.gz BJAMSVMEHQHPEW-QZTJIDSGSA-N 1 3 317.477 2.718 20 0 DFADHO CCOc1ccccc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000353523188 316531504 /nfs/dbraw/zinc/53/15/04/316531504.db2.gz XDGPUBJLTSSODV-UHFFFAOYSA-N 1 3 306.450 2.628 20 0 DFADHO CCc1ccc(CN2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)s1 ZINC000414703165 316637016 /nfs/dbraw/zinc/63/70/16/316637016.db2.gz XWHRGGGNKCJXSB-JKSUJKDBSA-N 1 3 321.534 2.816 20 0 DFADHO COc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000414785898 316655251 /nfs/dbraw/zinc/65/52/51/316655251.db2.gz ABUXOHOHNLGDKB-AAEUAGOBSA-N 1 3 313.239 2.675 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(OCc2ccccn2)c1 ZINC000414791179 316658500 /nfs/dbraw/zinc/65/85/00/316658500.db2.gz HGWDTJXZNTWVMH-LPHOPBHVSA-N 1 3 311.429 2.878 20 0 DFADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2COC(C)(C)C2)cc1 ZINC000417898454 316675680 /nfs/dbraw/zinc/67/56/80/316675680.db2.gz JJQWURUEBRCRIH-INIZCTEOSA-N 1 3 306.450 2.674 20 0 DFADHO CCC[C@@H](C[NH2+]Cc1ccccc1N1CCN(CC)CC1)OC ZINC000449375831 317032887 /nfs/dbraw/zinc/03/28/87/317032887.db2.gz JMQLVPZBJWZDOM-SFHVURJKSA-N 1 3 319.493 2.733 20 0 DFADHO COc1ncc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1Cl ZINC000453292276 317176760 /nfs/dbraw/zinc/17/67/60/317176760.db2.gz NIWJSRUCJWWECU-CFVMTHIKSA-N 1 3 309.841 2.706 20 0 DFADHO CCC1(C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)COC1 ZINC000453385646 317181970 /nfs/dbraw/zinc/18/19/70/317181970.db2.gz UZEXQTDSQIIELC-OAHLLOKOSA-N 1 3 306.450 2.704 20 0 DFADHO Cc1cnc(CC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000453394839 317183319 /nfs/dbraw/zinc/18/33/19/317183319.db2.gz HJGVBZYSJOJSLH-IEBWSBKVSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cnc(CCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000453394839 317183325 /nfs/dbraw/zinc/18/33/25/317183325.db2.gz HJGVBZYSJOJSLH-IEBWSBKVSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cnc(CCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000453394839 317183329 /nfs/dbraw/zinc/18/33/29/317183329.db2.gz HJGVBZYSJOJSLH-IEBWSBKVSA-N 1 3 324.472 2.828 20 0 DFADHO CCO[C@@H]1C[C@H](NCc2ccc(C[NH+](C)C)cc2)[C@H]1SC ZINC000459380772 317324545 /nfs/dbraw/zinc/32/45/45/317324545.db2.gz QTXFTABXKYGSGQ-GVDBMIGSSA-N 1 3 308.491 2.747 20 0 DFADHO CCO[C@@H]1C[C@@H](NCc2ccc(C[NH+](C)C)cc2)[C@H]1SC ZINC000459380770 317325060 /nfs/dbraw/zinc/32/50/60/317325060.db2.gz QTXFTABXKYGSGQ-BRWVUGGUSA-N 1 3 308.491 2.747 20 0 DFADHO CN1CCCC(C)(C)[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459512914 317328697 /nfs/dbraw/zinc/32/86/97/317328697.db2.gz ZJXVAMCRBNRIFT-SFHVURJKSA-N 1 3 316.493 2.760 20 0 DFADHO CC(C)C1CC([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000488421503 317391575 /nfs/dbraw/zinc/39/15/75/317391575.db2.gz XKJTYKHMQZJVHE-UHFFFAOYSA-N 1 3 315.505 2.958 20 0 DFADHO C[C@@H]1C[C@@H]1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000488421646 317391718 /nfs/dbraw/zinc/39/17/18/317391718.db2.gz SYSKTQDDQGVIJM-QZTJIDSGSA-N 1 3 301.478 2.834 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@H](N)C2)cc1OC ZINC000573385700 318017510 /nfs/dbraw/zinc/01/75/10/318017510.db2.gz GJHOOHORHKVIEI-GJZGRUSLSA-N 1 3 306.450 2.841 20 0 DFADHO COc1ccc(C(C)(C)CN[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000573385700 318017512 /nfs/dbraw/zinc/01/75/12/318017512.db2.gz GJHOOHORHKVIEI-GJZGRUSLSA-N 1 3 306.450 2.841 20 0 DFADHO [NH3+]CCC1CCN(CCOc2ccc(F)cc2Cl)CC1 ZINC000574763713 318039281 /nfs/dbraw/zinc/03/92/81/318039281.db2.gz XSGRTSGMAMVXPQ-UHFFFAOYSA-N 1 3 300.805 2.919 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000575741947 318079964 /nfs/dbraw/zinc/07/99/64/318079964.db2.gz YPKSFFXZFSBDBO-CQSZACIVSA-N 1 3 319.424 2.537 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000575741947 318079965 /nfs/dbraw/zinc/07/99/65/318079965.db2.gz YPKSFFXZFSBDBO-CQSZACIVSA-N 1 3 319.424 2.537 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000575741947 318079966 /nfs/dbraw/zinc/07/99/66/318079966.db2.gz YPKSFFXZFSBDBO-CQSZACIVSA-N 1 3 319.424 2.537 20 0 DFADHO C[C@H](O)C[N@H+](Cc1ccc2c(c1)CNCC2)C1CCCCC1 ZINC000576114163 318104798 /nfs/dbraw/zinc/10/47/98/318104798.db2.gz OJSCSOMOAGRLQX-HNNXBMFYSA-N 1 3 302.462 2.848 20 0 DFADHO C[C@H](O)C[N@@H+](Cc1ccc2c(c1)CNCC2)C1CCCCC1 ZINC000576114163 318104799 /nfs/dbraw/zinc/10/47/99/318104799.db2.gz OJSCSOMOAGRLQX-HNNXBMFYSA-N 1 3 302.462 2.848 20 0 DFADHO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000576220041 318111543 /nfs/dbraw/zinc/11/15/43/318111543.db2.gz AZEXYIDZIDJABS-MSOLQXFVSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)(C)[C@@H](O)CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000576220041 318111546 /nfs/dbraw/zinc/11/15/46/318111546.db2.gz AZEXYIDZIDJABS-MSOLQXFVSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)(C)[C@@H](O)CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000576220041 318111549 /nfs/dbraw/zinc/11/15/49/318111549.db2.gz AZEXYIDZIDJABS-MSOLQXFVSA-N 1 3 304.478 2.548 20 0 DFADHO Cc1cc2c(cc1C)[C@H](NCCOCC[NH+](C)C)CCCO2 ZINC000576662446 318141268 /nfs/dbraw/zinc/14/12/68/318141268.db2.gz ASCTZVKUOSICSJ-QGZVFWFLSA-N 1 3 306.450 2.685 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCCNC1 ZINC000576726019 318146353 /nfs/dbraw/zinc/14/63/53/318146353.db2.gz ZQAOBCHFFPNTOU-GOEBONIOSA-N 1 3 303.450 2.698 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCNc2ncc(Cl)cc2Cl)C1 ZINC000577887675 318224864 /nfs/dbraw/zinc/22/48/64/318224864.db2.gz ZLASPEKEQUPWKO-WDEREUQCSA-N 1 3 303.237 2.660 20 0 DFADHO COc1cc2c(cc1OC)[C@@H](NCc1ccc(C[NH3+])cc1)CC2 ZINC000578237726 318247694 /nfs/dbraw/zinc/24/76/94/318247694.db2.gz BQANJRZDFDMMKJ-KRWDZBQOSA-N 1 3 312.413 2.940 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(CN(C)C)cc1)C1CC[NH2+]CC1 ZINC000578765229 318284069 /nfs/dbraw/zinc/28/40/69/318284069.db2.gz OADJBYVBUJZPAC-CQSZACIVSA-N 1 3 303.450 2.713 20 0 DFADHO CCN1CCN(Cc2ccc(N[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000579005291 318301625 /nfs/dbraw/zinc/30/16/25/318301625.db2.gz UNKBAXQVWGTJHG-HKUYNNGSSA-N 1 3 316.493 2.506 20 0 DFADHO COCC[N@H+](C)CC[C@H](N[C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000579860904 318359565 /nfs/dbraw/zinc/35/95/65/318359565.db2.gz WPUUTUCSZIDANB-IPMKNSEASA-N 1 3 320.477 2.589 20 0 DFADHO COCC[N@@H+](C)CC[C@H](N[C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000579860904 318359568 /nfs/dbraw/zinc/35/95/68/318359568.db2.gz WPUUTUCSZIDANB-IPMKNSEASA-N 1 3 320.477 2.589 20 0 DFADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000580065186 318372618 /nfs/dbraw/zinc/37/26/18/318372618.db2.gz NLLFVHSUHULVHP-WBVHZDCISA-N 1 3 310.869 2.565 20 0 DFADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000580065186 318372621 /nfs/dbraw/zinc/37/26/21/318372621.db2.gz NLLFVHSUHULVHP-WBVHZDCISA-N 1 3 310.869 2.565 20 0 DFADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000580065186 318372623 /nfs/dbraw/zinc/37/26/23/318372623.db2.gz NLLFVHSUHULVHP-WBVHZDCISA-N 1 3 310.869 2.565 20 0 DFADHO c1ccc(CN2CCCC[C@@H]2CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000379630363 323289260 /nfs/dbraw/zinc/28/92/60/323289260.db2.gz PTRXMHGKVGAWRJ-RBUKOAKNSA-N 1 3 301.478 2.773 20 0 DFADHO c1ccc(CN2CCCC[C@H]2CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000379630361 323289917 /nfs/dbraw/zinc/28/99/17/323289917.db2.gz PTRXMHGKVGAWRJ-MOPGFXCFSA-N 1 3 301.478 2.773 20 0 DFADHO C[C@H](NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386629947 323319743 /nfs/dbraw/zinc/31/97/43/323319743.db2.gz ZXKTZIGTATWQIH-WDSOQIARSA-N 1 3 301.478 2.944 20 0 DFADHO CN(CCNC(=O)[C@H]([NH3+])CC1CCCCC1)Cc1ccccc1 ZINC000386747856 323320302 /nfs/dbraw/zinc/32/03/02/323320302.db2.gz FUIWMESFTMBJBT-GOSISDBHSA-N 1 3 317.477 2.532 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cccc(OCCN(C)C)c1 ZINC000387312447 323323557 /nfs/dbraw/zinc/32/35/57/323323557.db2.gz OJZMSXBRENSXGO-RKVPGOIHSA-N 1 3 305.466 2.768 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1cccc(OCCN(C)C)c1 ZINC000387312447 323323562 /nfs/dbraw/zinc/32/35/62/323323562.db2.gz OJZMSXBRENSXGO-RKVPGOIHSA-N 1 3 305.466 2.768 20 0 DFADHO Clc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc2c1OCCO2 ZINC000389681417 323336524 /nfs/dbraw/zinc/33/65/24/323336524.db2.gz HLIABSPBWPNXQQ-OKILXGFUSA-N 1 3 322.836 2.543 20 0 DFADHO COc1cc2c(cc1CNCC1(C)CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000391949637 323346957 /nfs/dbraw/zinc/34/69/57/323346957.db2.gz YOPGVCICIDUOAS-AWEZNQCLSA-N 1 3 318.461 2.840 20 0 DFADHO c1ccc([C@@H]2OCC[C@@H]2NCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000581078203 323472599 /nfs/dbraw/zinc/47/25/99/323472599.db2.gz ZFWRAYNOUQVYBW-PMACEKPBSA-N 1 3 308.425 2.952 20 0 DFADHO OC1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CCN(Cc2ccccc2)CC1 ZINC000583611956 323887480 /nfs/dbraw/zinc/88/74/80/323887480.db2.gz UHZJGBACSLESOX-OTWHNJEPSA-N 1 3 314.473 2.792 20 0 DFADHO CC(C)[NH+](CCCNC(=O)C[C@H](N)c1ccccc1)C(C)C ZINC000583750689 323907256 /nfs/dbraw/zinc/90/72/56/323907256.db2.gz GFGMPEJIYMTLLP-KRWDZBQOSA-N 1 3 305.466 2.702 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCc2nc3ccccc3n2C(F)F)C1 ZINC000584301863 332231344 /nfs/dbraw/zinc/23/13/44/332231344.db2.gz ITXKKPVKBSWZCQ-NWDGAFQWSA-N 1 3 308.376 2.833 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+]CCc2nc3ccccc3n2C(F)F)C1 ZINC000584301863 332231346 /nfs/dbraw/zinc/23/13/46/332231346.db2.gz ITXKKPVKBSWZCQ-NWDGAFQWSA-N 1 3 308.376 2.833 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCc2nc3ccccc3n2C(F)F)C1 ZINC000584301862 332231440 /nfs/dbraw/zinc/23/14/40/332231440.db2.gz ITXKKPVKBSWZCQ-NEPJUHHUSA-N 1 3 308.376 2.833 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]CCc2nc3ccccc3n2C(F)F)C1 ZINC000584301862 332231442 /nfs/dbraw/zinc/23/14/42/332231442.db2.gz ITXKKPVKBSWZCQ-NEPJUHHUSA-N 1 3 308.376 2.833 20 0 DFADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378692 337232989 /nfs/dbraw/zinc/23/29/89/337232989.db2.gz UBKDAELLZZCJSH-YOEHRIQHSA-N 1 3 316.474 2.850 20 0 DFADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378692 337232990 /nfs/dbraw/zinc/23/29/90/337232990.db2.gz UBKDAELLZZCJSH-YOEHRIQHSA-N 1 3 316.474 2.850 20 0 DFADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378692 337232991 /nfs/dbraw/zinc/23/29/91/337232991.db2.gz UBKDAELLZZCJSH-YOEHRIQHSA-N 1 3 316.474 2.850 20 0 DFADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378692 337232992 /nfs/dbraw/zinc/23/29/92/337232992.db2.gz UBKDAELLZZCJSH-YOEHRIQHSA-N 1 3 316.474 2.850 20 0 DFADHO c1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)CNCC2 ZINC000584475160 337346210 /nfs/dbraw/zinc/34/62/10/337346210.db2.gz WELYHAHGEUPDJQ-MJGOQNOKSA-N 1 3 300.446 2.723 20 0 DFADHO c1cc2c(cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1)CNCC2 ZINC000584475160 337346211 /nfs/dbraw/zinc/34/62/11/337346211.db2.gz WELYHAHGEUPDJQ-MJGOQNOKSA-N 1 3 300.446 2.723 20 0 DFADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccoc1 ZINC000584584989 337368935 /nfs/dbraw/zinc/36/89/35/337368935.db2.gz ZEXDIBGZQVHDKA-INIZCTEOSA-N 1 3 313.445 2.924 20 0 DFADHO C[C@H](NC1CC1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000296599432 533801128 /nfs/dbraw/zinc/80/11/28/533801128.db2.gz YIVVNJVTSJUNPZ-HNNXBMFYSA-N 1 3 315.461 2.794 20 0 DFADHO C[C@@H]1C[C@H](NCC2CCN(c3cc[nH+]cc3)CC2)c2nccn21 ZINC000296670290 533944911 /nfs/dbraw/zinc/94/49/11/533944911.db2.gz FVKVQRBMPCWJLP-PBHICJAKSA-N 1 3 311.433 2.790 20 0 DFADHO C[C@@H](C[NH2+]Cc1ccc(F)c(Br)c1)CN(C)C ZINC000310216564 534060446 /nfs/dbraw/zinc/06/04/46/534060446.db2.gz FXOAVMAGTPZDSC-JTQLQIEISA-N 1 3 303.219 2.876 20 0 DFADHO CC(C)CNC(=[NH2+])NCC1CCN(Cc2ccccc2F)CC1 ZINC000364207013 519733245 /nfs/dbraw/zinc/73/32/45/519733245.db2.gz MVMAUGCWZHWGHK-UHFFFAOYSA-N 1 3 320.456 2.808 20 0 DFADHO CCc1nc(C)c([C@H](C)NC2CC[NH+](CCOC)CC2)s1 ZINC000154819477 522231676 /nfs/dbraw/zinc/23/16/76/522231676.db2.gz FHSYZLNHGLGRKC-LBPRGKRZSA-N 1 3 311.495 2.775 20 0 DFADHO O=C1CC[C@@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)c2cc(F)ccc2N1 ZINC000364941896 526991020 /nfs/dbraw/zinc/99/10/20/526991020.db2.gz QCCFHYCHCXCFNN-BLLLJJGKSA-N 1 3 317.408 2.673 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000294684990 528560349 /nfs/dbraw/zinc/56/03/49/528560349.db2.gz AGFFGLZLQZLLGI-OAHLLOKOSA-N 1 3 303.450 2.999 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccncc2C)[C@@H](C)C1 ZINC000294710744 528663187 /nfs/dbraw/zinc/66/31/87/528663187.db2.gz BIXPYHRZFMACEI-FUHWJXTLSA-N 1 3 305.466 2.617 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccncc2C)[C@@H](C)C1 ZINC000294710755 528667371 /nfs/dbraw/zinc/66/73/71/528667371.db2.gz BIXPYHRZFMACEI-WMZOPIPTSA-N 1 3 305.466 2.617 20 0 DFADHO CCC(CC)(C[NH2+]C1CCN(c2ccncc2)CC1)C(=O)OC ZINC000297371116 528691612 /nfs/dbraw/zinc/69/16/12/528691612.db2.gz GLAGWPMHKVGCHH-UHFFFAOYSA-N 1 3 319.449 2.619 20 0 DFADHO CC[NH+]1CCC(NCCc2cc(C(F)(F)F)ccn2)CC1 ZINC000293032384 528987174 /nfs/dbraw/zinc/98/71/74/528987174.db2.gz ADMYQOKMIWGHHR-UHFFFAOYSA-N 1 3 301.356 2.717 20 0 DFADHO CCCC[C@H](N)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000236818627 535046651 /nfs/dbraw/zinc/04/66/51/535046651.db2.gz JBJYWNYTZBZFRY-KRWDZBQOSA-N 1 3 305.466 2.661 20 0 DFADHO CCCC[C@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236818627 535046656 /nfs/dbraw/zinc/04/66/56/535046656.db2.gz JBJYWNYTZBZFRY-KRWDZBQOSA-N 1 3 305.466 2.661 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000357824784 535150749 /nfs/dbraw/zinc/15/07/49/535150749.db2.gz KJLQFBFYPDQONI-MRXNPFEDSA-N 1 3 309.498 2.582 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000261927225 535610443 /nfs/dbraw/zinc/61/04/43/535610443.db2.gz SJHGKIYMYCSAQZ-QAPCUYQASA-N 1 3 317.477 2.533 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000261752564 535674681 /nfs/dbraw/zinc/67/46/81/535674681.db2.gz PCWRJMWYWHFBIG-CGTJXYLNSA-N 1 3 317.477 2.574 20 0 DFADHO CC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1CCOC1 ZINC000357850362 535803135 /nfs/dbraw/zinc/80/31/35/535803135.db2.gz LMZZHPBVCZOQFP-FUHWJXTLSA-N 1 3 303.450 2.703 20 0 DFADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000165898171 535954159 /nfs/dbraw/zinc/95/41/59/535954159.db2.gz KGINKHUPNQRKQA-SZMVWBNQSA-N 1 3 317.477 2.531 20 0 DFADHO CN(C)Cc1ccc(-c2noc(C[C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000261897813 535994035 /nfs/dbraw/zinc/99/40/35/535994035.db2.gz YGEOCKCPYRYZIQ-AWEZNQCLSA-N 1 3 314.433 2.730 20 0 DFADHO COc1cc(CN2CCC[C@H](CC[NH3+])C2)ccc1OC(F)F ZINC000261846346 536756435 /nfs/dbraw/zinc/75/64/35/536756435.db2.gz DCDITCUBBFIOOE-GFCCVEGCSA-N 1 3 314.376 2.857 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2cc(C)ccn2)CC1 ZINC000683019991 545961126 /nfs/dbraw/zinc/96/11/26/545961126.db2.gz UWXPYIQFHNQCKP-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cc(C)ccn2)CC1 ZINC000683019991 545961130 /nfs/dbraw/zinc/96/11/30/545961130.db2.gz UWXPYIQFHNQCKP-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO CC[NH+](CC)CCOCCNCc1ccc2cnccc2c1 ZINC000683774633 546092217 /nfs/dbraw/zinc/09/22/17/546092217.db2.gz CTFCZDAELQTZOA-UHFFFAOYSA-N 1 3 301.434 2.683 20 0 DFADHO c1c(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)[nH]c2ccccc12 ZINC000683930205 546122852 /nfs/dbraw/zinc/12/28/52/546122852.db2.gz WGRCRFVMNIREAP-HNNXBMFYSA-N 1 3 313.445 2.758 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000684112694 546153577 /nfs/dbraw/zinc/15/35/77/546153577.db2.gz XQIYPHKOZVVPLW-QZWWFDLISA-N 1 3 302.466 2.663 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000684112694 546153578 /nfs/dbraw/zinc/15/35/78/546153578.db2.gz XQIYPHKOZVVPLW-QZWWFDLISA-N 1 3 302.466 2.663 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000684112694 546153579 /nfs/dbraw/zinc/15/35/79/546153579.db2.gz XQIYPHKOZVVPLW-QZWWFDLISA-N 1 3 302.466 2.663 20 0 DFADHO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000684149276 546159159 /nfs/dbraw/zinc/15/91/59/546159159.db2.gz WPZAFDGKTZWLBY-AEFFLSMTSA-N 1 3 320.477 2.752 20 0 DFADHO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000684149276 546159161 /nfs/dbraw/zinc/15/91/61/546159161.db2.gz WPZAFDGKTZWLBY-AEFFLSMTSA-N 1 3 320.477 2.752 20 0 DFADHO CC[C@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)CCCO1 ZINC000684968903 546311504 /nfs/dbraw/zinc/31/15/04/546311504.db2.gz GXRJBJPGDUBFFL-KRWDZBQOSA-N 1 3 306.450 2.628 20 0 DFADHO CC[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)CCCO1 ZINC000684968904 546311661 /nfs/dbraw/zinc/31/16/61/546311661.db2.gz GXRJBJPGDUBFFL-QGZVFWFLSA-N 1 3 306.450 2.628 20 0 DFADHO c1cn(-c2ccccc2)nc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278499388 214193703 /nfs/dbraw/zinc/19/37/03/214193703.db2.gz NHFHKVWAHNDXOR-UHFFFAOYSA-N 1 3 310.445 2.836 20 0 DFADHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000309857390 231106822 /nfs/dbraw/zinc/10/68/22/231106822.db2.gz LTOCTTDOJOJTSE-QDGKJQRMSA-N 1 3 314.473 2.912 20 0 DFADHO C[C@H](C[NH2+]Cc1ccc(F)c(Br)c1)CN(C)C ZINC000310216565 231113556 /nfs/dbraw/zinc/11/35/56/231113556.db2.gz FXOAVMAGTPZDSC-SNVBAGLBSA-N 1 3 303.219 2.876 20 0 DFADHO Cc1[nH+]ccc(NC[C@H](C(C)C)N2CCN(C)CC2)c1Cl ZINC000314877011 231135575 /nfs/dbraw/zinc/13/55/75/231135575.db2.gz LAMYNOQOHYKBOV-OAHLLOKOSA-N 1 3 310.873 2.727 20 0 DFADHO Cc1nc(F)ccc1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000278783943 214399387 /nfs/dbraw/zinc/39/93/87/214399387.db2.gz PVTVAPQGZJDMDW-UHFFFAOYSA-N 1 3 314.408 2.930 20 0 DFADHO Cc1nccn1[C@H]1CCCN([C@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905709 398348749 /nfs/dbraw/zinc/34/87/49/398348749.db2.gz GXUUTXHFZXLTKB-WBVHZDCISA-N 1 3 320.481 2.862 20 0 DFADHO CCn1ccnc1[C@@H](C)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000296664447 529588994 /nfs/dbraw/zinc/58/89/94/529588994.db2.gz FLZWRJIYFSPHPI-OAHLLOKOSA-N 1 3 313.449 2.865 20 0 DFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC2(C)C)cc1 ZINC000090038865 185279273 /nfs/dbraw/zinc/27/92/73/185279273.db2.gz LKXFOZMOXRBIHH-QGZVFWFLSA-N 1 3 317.477 2.646 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1nc2cc(F)ccc2n1C ZINC000090044112 185279624 /nfs/dbraw/zinc/27/96/24/185279624.db2.gz UQBVXXCGUDTLJH-VNHYZAJKSA-N 1 3 318.440 2.573 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1nc2cc(F)ccc2n1C ZINC000090044112 185279625 /nfs/dbraw/zinc/27/96/25/185279625.db2.gz UQBVXXCGUDTLJH-VNHYZAJKSA-N 1 3 318.440 2.573 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCCOc2ccccc21 ZINC000166015691 197686447 /nfs/dbraw/zinc/68/64/47/197686447.db2.gz OYDCOFAXYKVELU-RDJZCZTQSA-N 1 3 306.450 2.847 20 0 DFADHO COCCOc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000092381315 185314590 /nfs/dbraw/zinc/31/45/90/185314590.db2.gz XMOSXALABUIECM-UHFFFAOYSA-N 1 3 320.477 2.876 20 0 DFADHO C[C@@H]1C[NH+](CC2CCN(Cc3cccc(O)c3)CC2)C[C@@H](C)O1 ZINC000092587444 185327349 /nfs/dbraw/zinc/32/73/49/185327349.db2.gz XJWMCJMBRRPDJL-HZPDHXFCSA-N 1 3 318.461 2.713 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](CCC(=O)OCc3ccccc3)CC[C@@H]21 ZINC000181478152 199304363 /nfs/dbraw/zinc/30/43/63/199304363.db2.gz GPWJAMYXZMDWQH-MSOLQXFVSA-N 1 3 316.445 2.536 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](CCC(=O)OCc3ccccc3)CC[C@@H]21 ZINC000181478152 199304365 /nfs/dbraw/zinc/30/43/65/199304365.db2.gz GPWJAMYXZMDWQH-MSOLQXFVSA-N 1 3 316.445 2.536 20 0 DFADHO c1cc(N2CCC([NH2+][C@H]3CCN(C4CCCC4)C3)CC2)ccn1 ZINC000459412813 299099745 /nfs/dbraw/zinc/09/97/45/299099745.db2.gz SESDMXJEWOZGTE-KRWDZBQOSA-N 1 3 314.477 2.657 20 0 DFADHO CN1CC[C@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000292797451 529811587 /nfs/dbraw/zinc/81/15/87/529811587.db2.gz NBDZHTLIRMWCLT-SFHVURJKSA-N 1 3 314.408 2.743 20 0 DFADHO CN1CC[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000292797451 529811588 /nfs/dbraw/zinc/81/15/88/529811588.db2.gz NBDZHTLIRMWCLT-SFHVURJKSA-N 1 3 314.408 2.743 20 0 DFADHO Cc1ccsc1[C@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459425563 299102684 /nfs/dbraw/zinc/10/26/84/299102684.db2.gz MQHHQPFOKBAKHU-INIZCTEOSA-N 1 3 317.458 2.744 20 0 DFADHO Cc1ccsc1[C@@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459425564 299103189 /nfs/dbraw/zinc/10/31/89/299103189.db2.gz MQHHQPFOKBAKHU-MRXNPFEDSA-N 1 3 317.458 2.744 20 0 DFADHO CCOC(=O)c1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000592433625 398425495 /nfs/dbraw/zinc/42/54/95/398425495.db2.gz MOCJTZCNCLQNFW-CABCVRRESA-N 1 3 320.433 2.668 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@@H]1SC ZINC000459434208 299105057 /nfs/dbraw/zinc/10/50/57/299105057.db2.gz HJIGLBNMBVUZQM-BBWFWOEESA-N 1 3 312.523 2.892 20 0 DFADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccccc3F)C2)C1 ZINC000292855369 530059528 /nfs/dbraw/zinc/05/95/28/530059528.db2.gz CBVITLIAOYSYOC-GOSISDBHSA-N 1 3 319.424 2.572 20 0 DFADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccccc3F)C2)C1 ZINC000292855369 530059529 /nfs/dbraw/zinc/05/95/29/530059529.db2.gz CBVITLIAOYSYOC-GOSISDBHSA-N 1 3 319.424 2.572 20 0 DFADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cncc(F)c1 ZINC000459468568 299113541 /nfs/dbraw/zinc/11/35/41/299113541.db2.gz RBPFHYVASWZDEI-ZDUSSCGKSA-N 1 3 300.381 2.935 20 0 DFADHO COc1nc(C)cc(C)c1CN1CCC(CC[NH+](C)C)CC1 ZINC000286754546 219148294 /nfs/dbraw/zinc/14/82/94/219148294.db2.gz GNZCCWKARADJHO-UHFFFAOYSA-N 1 3 305.466 2.871 20 0 DFADHO CCO[C@@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)[C@H]1SC ZINC000459516750 299123887 /nfs/dbraw/zinc/12/38/87/299123887.db2.gz IIJJEMIQGCONSU-RRFJBIMHSA-N 1 3 300.512 2.607 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)CN2CCCC2)[C@H]1SC ZINC000459516750 299123888 /nfs/dbraw/zinc/12/38/88/299123888.db2.gz IIJJEMIQGCONSU-RRFJBIMHSA-N 1 3 300.512 2.607 20 0 DFADHO OCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000279612115 215004508 /nfs/dbraw/zinc/00/45/08/215004508.db2.gz QZGQBOJMUJVGIK-CEXWTWQISA-N 1 3 302.462 2.649 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000272681713 210085347 /nfs/dbraw/zinc/08/53/47/210085347.db2.gz NDUJZMLWGAPHQJ-MUGJNUQGSA-N 1 3 314.473 2.913 20 0 DFADHO CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000236810800 535045273 /nfs/dbraw/zinc/04/52/73/535045273.db2.gz XWSXFRRQTBGNFJ-GJZGRUSLSA-N 1 3 311.495 2.765 20 0 DFADHO C[C@@H]1C[C@H](NCCN2CC=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000279649245 215030941 /nfs/dbraw/zinc/03/09/41/215030941.db2.gz DXPQZCKXAMGOOE-UYAOXDASSA-N 1 3 313.489 2.891 20 0 DFADHO C[C@@H]1C[C@H](NCCN2CC=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000279649245 215030944 /nfs/dbraw/zinc/03/09/44/215030944.db2.gz DXPQZCKXAMGOOE-UYAOXDASSA-N 1 3 313.489 2.891 20 0 DFADHO CCCN(CC)C[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459561767 299133792 /nfs/dbraw/zinc/13/37/92/299133792.db2.gz SIUSGGVYGPHJMC-INIZCTEOSA-N 1 3 304.482 2.760 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000183345764 199578861 /nfs/dbraw/zinc/57/88/61/199578861.db2.gz LXXUNFUXYHJLLV-RDJZCZTQSA-N 1 3 306.450 2.847 20 0 DFADHO COc1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c(C)c1 ZINC000414073976 295764085 /nfs/dbraw/zinc/76/40/85/295764085.db2.gz WJMQMCCPJOASPG-INIZCTEOSA-N 1 3 319.493 2.680 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000272620011 210020613 /nfs/dbraw/zinc/02/06/13/210020613.db2.gz WBFQZKZUXSQZDI-UHFFFAOYSA-N 1 3 318.465 2.602 20 0 DFADHO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000414218026 295778534 /nfs/dbraw/zinc/77/85/34/295778534.db2.gz ZEUWEIBAJJPJPI-OLMNPRSZSA-N 1 3 306.450 2.845 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000320316116 398547758 /nfs/dbraw/zinc/54/77/58/398547758.db2.gz DCAUKGJMYYCUNL-WMZOPIPTSA-N 1 3 317.477 2.575 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)CC[C@@H]21 ZINC000092043092 398555338 /nfs/dbraw/zinc/55/53/38/398555338.db2.gz RTLNTEFTTGSABZ-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)CC[C@@H]21 ZINC000092043092 398555343 /nfs/dbraw/zinc/55/53/43/398555343.db2.gz RTLNTEFTTGSABZ-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO CC[NH+]1CCC(CCNCc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000597061634 398559230 /nfs/dbraw/zinc/55/92/30/398559230.db2.gz RMJWYNYEFWQYNW-UHFFFAOYSA-N 1 3 322.424 2.824 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000080976969 282627923 /nfs/dbraw/zinc/62/79/23/282627923.db2.gz YBSNDEAYHCJJFD-SFHVURJKSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cn1 ZINC000092742008 398597406 /nfs/dbraw/zinc/59/74/06/398597406.db2.gz DLOLXAWMSMEJRA-KFWWJZLASA-N 1 3 309.429 2.761 20 0 DFADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000139833879 186024316 /nfs/dbraw/zinc/02/43/16/186024316.db2.gz RBNYWZUHCKAIMQ-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000139833879 186024318 /nfs/dbraw/zinc/02/43/18/186024318.db2.gz RBNYWZUHCKAIMQ-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000139833879 186024320 /nfs/dbraw/zinc/02/43/20/186024320.db2.gz RBNYWZUHCKAIMQ-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000139833879 186024321 /nfs/dbraw/zinc/02/43/21/186024321.db2.gz RBNYWZUHCKAIMQ-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000093201867 398623847 /nfs/dbraw/zinc/62/38/47/398623847.db2.gz SWONOUOJXWTPAW-CVEARBPZSA-N 1 3 305.470 2.523 20 0 DFADHO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000093201867 398623848 /nfs/dbraw/zinc/62/38/48/398623848.db2.gz SWONOUOJXWTPAW-CVEARBPZSA-N 1 3 305.470 2.523 20 0 DFADHO COCCOc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152408078 186069085 /nfs/dbraw/zinc/06/90/85/186069085.db2.gz DSQWRCJCJANGPJ-JKSUJKDBSA-N 1 3 318.461 2.847 20 0 DFADHO COCCOc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152408078 186069087 /nfs/dbraw/zinc/06/90/87/186069087.db2.gz DSQWRCJCJANGPJ-JKSUJKDBSA-N 1 3 318.461 2.847 20 0 DFADHO COCCOc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152407984 186069367 /nfs/dbraw/zinc/06/93/67/186069367.db2.gz DSQWRCJCJANGPJ-CVEARBPZSA-N 1 3 318.461 2.847 20 0 DFADHO COCCOc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152407984 186069369 /nfs/dbraw/zinc/06/93/69/186069369.db2.gz DSQWRCJCJANGPJ-CVEARBPZSA-N 1 3 318.461 2.847 20 0 DFADHO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(OCCN(C)C)cc1 ZINC000164014764 186146080 /nfs/dbraw/zinc/14/60/80/186146080.db2.gz MHHKSZMBKKHZDT-WMLDXEAASA-N 1 3 308.466 2.685 20 0 DFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC(C)(C)[NH+](C)C ZINC000072812362 398637882 /nfs/dbraw/zinc/63/78/82/398637882.db2.gz QKDMMPDGIPRJCA-UHFFFAOYSA-N 1 3 317.433 2.564 20 0 DFADHO CN(C)c1ncc(CN2CCC(CCC[NH+](C)C)CC2)s1 ZINC000093688594 398643191 /nfs/dbraw/zinc/64/31/91/398643191.db2.gz SPFXJBUPJSZENJ-UHFFFAOYSA-N 1 3 310.511 2.763 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000590658602 398647316 /nfs/dbraw/zinc/64/73/16/398647316.db2.gz UOOGCOMDGBYESH-SPUZQDLCSA-N 1 3 322.493 2.961 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000590658602 398647319 /nfs/dbraw/zinc/64/73/19/398647319.db2.gz UOOGCOMDGBYESH-SPUZQDLCSA-N 1 3 322.493 2.961 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccn(C)c3)CC2)C[C@H](C)O1 ZINC000093844289 398647804 /nfs/dbraw/zinc/64/78/04/398647804.db2.gz ANXSGWLRUZIRLS-CALCHBBNSA-N 1 3 319.493 2.736 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(CN(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000237480221 186295701 /nfs/dbraw/zinc/29/57/01/186295701.db2.gz KJHZORYBZDLDPV-ZBFHGGJFSA-N 1 3 303.450 2.713 20 0 DFADHO CC[NH+](CC)CCSCC(=O)Nc1cccc(CN(C)C)c1 ZINC000266840045 186355256 /nfs/dbraw/zinc/35/52/56/186355256.db2.gz OCKQDEOVIYHIHH-UHFFFAOYSA-N 1 3 323.506 2.762 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2cnc3ccc(Cl)cn23)C1 ZINC000459735754 299176734 /nfs/dbraw/zinc/17/67/34/299176734.db2.gz PNWRDRJZHDUBHM-ZDUSSCGKSA-N 1 3 306.841 2.809 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2cnc3ccc(Cl)cn23)C1 ZINC000459735754 299176739 /nfs/dbraw/zinc/17/67/39/299176739.db2.gz PNWRDRJZHDUBHM-ZDUSSCGKSA-N 1 3 306.841 2.809 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414822269 295822203 /nfs/dbraw/zinc/82/22/03/295822203.db2.gz CNKWMBUEGLOZEU-SOABOVLPSA-N 1 3 306.425 2.646 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414823127 295822311 /nfs/dbraw/zinc/82/23/11/295822311.db2.gz AZRVLMNZBMRGKC-MCIONIFRSA-N 1 3 307.413 2.521 20 0 DFADHO COc1ccc(C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000414841969 295824994 /nfs/dbraw/zinc/82/49/94/295824994.db2.gz ZTUQOGILJIQCNP-SLHHOWHOSA-N 1 3 304.434 2.507 20 0 DFADHO C[C@H](CN)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414883487 295829924 /nfs/dbraw/zinc/82/99/24/295829924.db2.gz VCNOBZMBZAKLLV-GFCCVEGCSA-N 1 3 313.848 2.628 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000414916208 295834439 /nfs/dbraw/zinc/83/44/39/295834439.db2.gz PBBSHMQEFPIHHK-QWHCGFSZSA-N 1 3 309.841 2.565 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](CNCc2ncc(Br)s2)C1 ZINC000415013229 295847258 /nfs/dbraw/zinc/84/72/58/295847258.db2.gz YEWDTQAKFPFVIK-DTWKUNHWSA-N 1 3 304.257 2.513 20 0 DFADHO C[C@H](CCC[NH3+])NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000415026393 295848354 /nfs/dbraw/zinc/84/83/54/295848354.db2.gz UEGQHGPGJYVVBE-LLVKDONJSA-N 1 3 319.430 2.756 20 0 DFADHO [NH3+]C[C@H]1CC[C@H](NCc2ccc(Br)cc2F)C1 ZINC000415029069 295848614 /nfs/dbraw/zinc/84/86/14/295848614.db2.gz DFMHYOQSEJOUHN-CABZTGNLSA-N 1 3 301.203 2.805 20 0 DFADHO C(N[C@@H]1CCC[C@@H]2C[C@@H]21)C1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)COC1 ZINC000459790445 299194329 /nfs/dbraw/zinc/19/43/29/299194329.db2.gz SFTOWHWANKLCTP-GVLSGGHMSA-N 1 3 304.478 2.559 20 0 DFADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000173620770 198233920 /nfs/dbraw/zinc/23/39/20/198233920.db2.gz VODBHLKGGBXHDV-HOTGVXAUSA-N 1 3 317.477 2.715 20 0 DFADHO COc1cccc(CN[C@H](C)CCCC[NH3+])c1OC(F)F ZINC000415069800 295854462 /nfs/dbraw/zinc/85/44/62/295854462.db2.gz XOLDDBRKJHNRDR-LLVKDONJSA-N 1 3 302.365 2.904 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CO1 ZINC000401870358 398689035 /nfs/dbraw/zinc/68/90/35/398689035.db2.gz BLLUCVAOPBBQTC-IQZDNPOKSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CO1 ZINC000401870358 398689038 /nfs/dbraw/zinc/68/90/38/398689038.db2.gz BLLUCVAOPBBQTC-IQZDNPOKSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CO1 ZINC000401870358 398689041 /nfs/dbraw/zinc/68/90/41/398689041.db2.gz BLLUCVAOPBBQTC-IQZDNPOKSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000415079984 295855617 /nfs/dbraw/zinc/85/56/17/295855617.db2.gz IOOIEAJJNYNAKZ-IXDOHACOSA-N 1 3 302.466 2.561 20 0 DFADHO C[C@@]1(CN[C@@H]2CCCN(c3ccccc3Cl)C2)CC[NH2+]C1 ZINC000415083518 295855967 /nfs/dbraw/zinc/85/59/67/295855967.db2.gz NMKLTRHIPUYWEB-RHSMWYFYSA-N 1 3 307.869 2.898 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccsc1 ZINC000174625939 198361740 /nfs/dbraw/zinc/36/17/40/198361740.db2.gz ZMJWFUJHRBGSFJ-INIZCTEOSA-N 1 3 323.506 2.589 20 0 DFADHO Cc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1F ZINC000415137206 295863679 /nfs/dbraw/zinc/86/36/79/295863679.db2.gz XYFLJNFYJHCQOL-ZWKOTPCHSA-N 1 3 306.425 2.852 20 0 DFADHO C[C@H](CN1CCC(O)(C[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000415142995 295864297 /nfs/dbraw/zinc/86/42/97/295864297.db2.gz AFJIFKXAUPHRCD-GFCCVEGCSA-N 1 3 316.367 2.595 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000073949161 398711875 /nfs/dbraw/zinc/71/18/75/398711875.db2.gz GOFTUMCIJPOCHD-QAPCUYQASA-N 1 3 317.477 2.551 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000073949161 398711876 /nfs/dbraw/zinc/71/18/76/398711876.db2.gz GOFTUMCIJPOCHD-QAPCUYQASA-N 1 3 317.477 2.551 20 0 DFADHO CC(C)[NH+](CCNC(=O)[C@H](C)[C@H](N)c1ccccc1)C(C)C ZINC000236783995 202006195 /nfs/dbraw/zinc/00/61/95/202006195.db2.gz PNXHWDZZSKHQSK-WBVHZDCISA-N 1 3 305.466 2.558 20 0 DFADHO CC(C)[NH+](CCNC(=O)[C@H](C)[C@@H](N)c1ccccc1)C(C)C ZINC000236783932 202006690 /nfs/dbraw/zinc/00/66/90/202006690.db2.gz PNXHWDZZSKHQSK-NVXWUHKLSA-N 1 3 305.466 2.558 20 0 DFADHO COc1ccc(OCCC[N@@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000277033761 213253285 /nfs/dbraw/zinc/25/32/85/213253285.db2.gz BHXDXHYHCQEAIY-INIZCTEOSA-N 1 3 306.450 2.880 20 0 DFADHO COc1ccc(OCCC[N@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000277033761 213253288 /nfs/dbraw/zinc/25/32/88/213253288.db2.gz BHXDXHYHCQEAIY-INIZCTEOSA-N 1 3 306.450 2.880 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129279076 283009018 /nfs/dbraw/zinc/00/90/18/283009018.db2.gz WVUKVMGNLSSCPN-HUUCEWRRSA-N 1 3 321.431 2.725 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130483226 283050645 /nfs/dbraw/zinc/05/06/45/283050645.db2.gz VOPKHNONRSGRSD-WOJBJXKFSA-N 1 3 315.505 2.940 20 0 DFADHO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc2c(c1)CNC2)C(C)(C)C ZINC000415995744 295909975 /nfs/dbraw/zinc/90/99/75/295909975.db2.gz LELUIWJKJZYMLK-MRXNPFEDSA-N 1 3 318.465 2.778 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(C3CC3)s2)C[C@@H](C)O1 ZINC000134251519 283178780 /nfs/dbraw/zinc/17/87/80/283178780.db2.gz OMAKULVALHFKNE-ZIAGYGMSSA-N 1 3 323.506 3.000 20 0 DFADHO C[C@@H](NC(=O)C[C@H](c1ccccc1)N(C)C)C(C)(C)C[NH+](C)C ZINC000416155758 295925357 /nfs/dbraw/zinc/92/53/57/295925357.db2.gz NEQDETWHYCWCMW-NVXWUHKLSA-N 1 3 319.493 2.772 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000236858549 202040520 /nfs/dbraw/zinc/04/05/20/202040520.db2.gz WEYQOVPDWDYGPG-LZLYRXPVSA-N 1 3 319.493 2.949 20 0 DFADHO CC[NH+](CC)CCOc1ccc(NC(=O)C2(N)CCCC2)cc1 ZINC000236885222 202051371 /nfs/dbraw/zinc/05/13/71/202051371.db2.gz CJNNNMCWXBEGAB-UHFFFAOYSA-N 1 3 319.449 2.617 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000236925409 202075770 /nfs/dbraw/zinc/07/57/70/202075770.db2.gz FWUNJAHZIUKYLW-YOEHRIQHSA-N 1 3 303.450 2.637 20 0 DFADHO C(COC[C@@H]1CCCO1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000121000232 398784848 /nfs/dbraw/zinc/78/48/48/398784848.db2.gz WWRIJFAJALJPLL-SFHVURJKSA-N 1 3 310.482 2.569 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000236987207 202110032 /nfs/dbraw/zinc/11/00/32/202110032.db2.gz QAUWXQXRHZCIEI-DYVFJYSZSA-N 1 3 316.449 2.515 20 0 DFADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000237077868 202144266 /nfs/dbraw/zinc/14/42/66/202144266.db2.gz SKDHOPPFXJTJKW-RYQLBKOJSA-N 1 3 317.477 2.622 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000237074534 202144578 /nfs/dbraw/zinc/14/45/78/202144578.db2.gz ZRSWQSCREHMQKV-XIRDDKMYSA-N 1 3 301.434 2.607 20 0 DFADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000237077748 202145352 /nfs/dbraw/zinc/14/53/52/202145352.db2.gz RLTALRHSJVRQFD-AEGPPILISA-N 1 3 311.495 2.621 20 0 DFADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)Cn2cccn2)c1 ZINC000139125524 283258870 /nfs/dbraw/zinc/25/88/70/283258870.db2.gz MBYHQLDMGURFDO-INIZCTEOSA-N 1 3 300.450 2.902 20 0 DFADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)Cn2cccn2)c1 ZINC000139125524 283258872 /nfs/dbraw/zinc/25/88/72/283258872.db2.gz MBYHQLDMGURFDO-INIZCTEOSA-N 1 3 300.450 2.902 20 0 DFADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)Cn2cccn2)c1 ZINC000138119979 283256208 /nfs/dbraw/zinc/25/62/08/283256208.db2.gz QNFLMPMDALFEAH-INIZCTEOSA-N 1 3 300.450 2.903 20 0 DFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H]1CCCO1 ZINC000179391221 199027121 /nfs/dbraw/zinc/02/71/21/199027121.db2.gz KRIMSAXNFQKPOV-GOSISDBHSA-N 1 3 303.450 2.799 20 0 DFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H]1CCCO1 ZINC000179391221 199027123 /nfs/dbraw/zinc/02/71/23/199027123.db2.gz KRIMSAXNFQKPOV-GOSISDBHSA-N 1 3 303.450 2.799 20 0 DFADHO COCc1csc(C[NH2+]CC2(SC)CCN(C)CC2)c1 ZINC000594942990 398878096 /nfs/dbraw/zinc/87/80/96/398878096.db2.gz FQLOADAFLSZVBK-UHFFFAOYSA-N 1 3 314.520 2.812 20 0 DFADHO C[C@H](CN(C)CC[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000180946115 199232143 /nfs/dbraw/zinc/23/21/43/199232143.db2.gz PGPFZZKCZWPNQH-QGZVFWFLSA-N 1 3 303.494 2.748 20 0 DFADHO C[C@H](CN(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000180946115 199232145 /nfs/dbraw/zinc/23/21/45/199232145.db2.gz PGPFZZKCZWPNQH-QGZVFWFLSA-N 1 3 303.494 2.748 20 0 DFADHO CC(C)CCOCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173963049 283391976 /nfs/dbraw/zinc/39/19/76/283391976.db2.gz HCRXXAFLSJFBOC-UHFFFAOYSA-N 1 3 312.498 2.626 20 0 DFADHO C[C@H](CSCCF)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000595016454 398892564 /nfs/dbraw/zinc/89/25/64/398892564.db2.gz ZCHLBYWQNJNWSH-CQSZACIVSA-N 1 3 311.470 2.979 20 0 DFADHO C[N@@H+]1CC[C@@H](NCC2(C(=O)OC(C)(C)C)CCC2)CC1(C)C ZINC000598985858 398903636 /nfs/dbraw/zinc/90/36/36/398903636.db2.gz BMSDTGBFHHXPOV-CQSZACIVSA-N 1 3 310.482 2.961 20 0 DFADHO C[N@H+]1CC[C@@H](NCC2(C(=O)OC(C)(C)C)CCC2)CC1(C)C ZINC000598985858 398903640 /nfs/dbraw/zinc/90/36/40/398903640.db2.gz BMSDTGBFHHXPOV-CQSZACIVSA-N 1 3 310.482 2.961 20 0 DFADHO CC(C)(C)OC(=O)C1(CNC2CC[NH+](CC3CC3)CC2)CCC1 ZINC000595098449 398904938 /nfs/dbraw/zinc/90/49/38/398904938.db2.gz DZQQGGPECWMGQB-UHFFFAOYSA-N 1 3 322.493 2.962 20 0 DFADHO CCN1CC[C@@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000187115380 200064272 /nfs/dbraw/zinc/06/42/72/200064272.db2.gz LKLKBMFRCLTYBL-HNNXBMFYSA-N 1 3 304.434 2.763 20 0 DFADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000237516417 202268724 /nfs/dbraw/zinc/26/87/24/202268724.db2.gz ZAINGNUPLNSQCR-IRXDYDNUSA-N 1 3 321.509 2.761 20 0 DFADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000237516417 202268726 /nfs/dbraw/zinc/26/87/26/202268726.db2.gz ZAINGNUPLNSQCR-IRXDYDNUSA-N 1 3 321.509 2.761 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc2c(c1)OCCO2 ZINC000261742342 296001772 /nfs/dbraw/zinc/00/17/72/296001772.db2.gz OBGBAERQWDZTJN-DOTOQJQBSA-N 1 3 318.461 2.901 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc(F)c2F)C[C@H](C)O1 ZINC000237668748 202322959 /nfs/dbraw/zinc/32/29/59/202322959.db2.gz FBFWVXXPRMPEOM-KBPBESRZSA-N 1 3 312.404 2.944 20 0 DFADHO FC(F)COCC[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000188760437 200300228 /nfs/dbraw/zinc/30/02/28/200300228.db2.gz LTLXIWDBRLAGHY-BBWFWOEESA-N 1 3 324.415 2.768 20 0 DFADHO FC(F)COCCN[C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000188760437 200300229 /nfs/dbraw/zinc/30/02/29/200300229.db2.gz LTLXIWDBRLAGHY-BBWFWOEESA-N 1 3 324.415 2.768 20 0 DFADHO FC(F)COCCN[C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000188760437 200300231 /nfs/dbraw/zinc/30/02/31/200300231.db2.gz LTLXIWDBRLAGHY-BBWFWOEESA-N 1 3 324.415 2.768 20 0 DFADHO CCc1ccccc1CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000189288293 200377026 /nfs/dbraw/zinc/37/70/26/200377026.db2.gz AWMSDEPBEQEJGL-UHFFFAOYSA-N 1 3 303.494 2.707 20 0 DFADHO CCc1ccccc1CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000189288293 200377028 /nfs/dbraw/zinc/37/70/28/200377028.db2.gz AWMSDEPBEQEJGL-UHFFFAOYSA-N 1 3 303.494 2.707 20 0 DFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CC2(N(C)C)CC2)CC1 ZINC000417357760 296013429 /nfs/dbraw/zinc/01/34/29/296013429.db2.gz SBBPOZPKWYCTJY-KRWDZBQOSA-N 1 3 315.505 2.766 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC2(N(C)C)CC2)CC1 ZINC000417357760 296013430 /nfs/dbraw/zinc/01/34/30/296013430.db2.gz SBBPOZPKWYCTJY-KRWDZBQOSA-N 1 3 315.505 2.766 20 0 DFADHO CN(C)C1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000417351446 296012809 /nfs/dbraw/zinc/01/28/09/296012809.db2.gz CPTZFKCDMIMEIG-CEXWTWQISA-N 1 3 313.489 2.581 20 0 DFADHO C[C@H]([NH2+]CCN1CC=CCC1)c1cccc(OCCN(C)C)c1 ZINC000281222608 216165339 /nfs/dbraw/zinc/16/53/39/216165339.db2.gz UDESWHRMSLGNND-KRWDZBQOSA-N 1 3 317.477 2.540 20 0 DFADHO C[C@@H]([NH3+])CCC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000193291117 296017662 /nfs/dbraw/zinc/01/76/62/296017662.db2.gz OPTJUDLENZLGRD-CABCVRRESA-N 1 3 323.506 2.765 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000271910443 209317349 /nfs/dbraw/zinc/31/73/49/209317349.db2.gz XWLJELNJLWKBKB-OAHLLOKOSA-N 1 3 315.461 2.818 20 0 DFADHO CCN1CCN(CCC[NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000161638157 398977051 /nfs/dbraw/zinc/97/70/51/398977051.db2.gz YARHIKGLGKRDGD-UHFFFAOYSA-N 1 3 320.525 2.651 20 0 DFADHO CCN(C(=O)CN1CCC(CC[NH+](C)C)CC1)C1CCCCC1 ZINC000056524937 398978069 /nfs/dbraw/zinc/97/80/69/398978069.db2.gz QLOGEPUAYOHZPG-UHFFFAOYSA-N 1 3 323.525 2.831 20 0 DFADHO COc1ccc(OCCN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056522796 398976428 /nfs/dbraw/zinc/97/64/28/398976428.db2.gz FDXBHODAECNKPP-UHFFFAOYSA-N 1 3 306.450 2.738 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000271865934 209279276 /nfs/dbraw/zinc/27/92/76/209279276.db2.gz LLEQZWALNBWPFF-YLJYHZDGSA-N 1 3 313.489 2.749 20 0 DFADHO CC(C)(C(=O)N[C@H](C[NH3+])C1CCCCC1)[C@H](N)c1ccccc1 ZINC000417800397 296052334 /nfs/dbraw/zinc/05/23/34/296052334.db2.gz SOGCASGBLSWAMM-IAGOWNOFSA-N 1 3 317.477 2.736 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2C(=O)N(C)C)C[C@H]1C ZINC000417796559 296051894 /nfs/dbraw/zinc/05/18/94/296051894.db2.gz SKJSCPZQCLXNOG-NVXWUHKLSA-N 1 3 317.477 2.693 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2C(=O)N(C)C)C[C@H]1C ZINC000417796559 296051895 /nfs/dbraw/zinc/05/18/95/296051895.db2.gz SKJSCPZQCLXNOG-NVXWUHKLSA-N 1 3 317.477 2.693 20 0 DFADHO N[C@@H](CC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000417844423 296057124 /nfs/dbraw/zinc/05/71/24/296057124.db2.gz WQAJECHTNLXCKS-ZWKOTPCHSA-N 1 3 311.429 2.673 20 0 DFADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000475154701 299344731 /nfs/dbraw/zinc/34/47/31/299344731.db2.gz FEIGDCRUICGJPD-ROUUACIJSA-N 1 3 321.509 2.534 20 0 DFADHO CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000475127100 299344216 /nfs/dbraw/zinc/34/42/16/299344216.db2.gz AURBVZXAIGUEND-SJORKVTESA-N 1 3 319.493 2.820 20 0 DFADHO CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000475127098 299344250 /nfs/dbraw/zinc/34/42/50/299344250.db2.gz AURBVZXAIGUEND-IRXDYDNUSA-N 1 3 319.493 2.820 20 0 DFADHO CC1(C)C[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CO1 ZINC000417942324 296064988 /nfs/dbraw/zinc/06/49/88/296064988.db2.gz SXNMGFNYNBXJKV-QGZVFWFLSA-N 1 3 318.461 2.818 20 0 DFADHO CCCCN1CCCC[C@H]1CNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000475925072 299351012 /nfs/dbraw/zinc/35/10/12/299351012.db2.gz FHMYSUUZLQNAAP-HOTGVXAUSA-N 1 3 311.514 2.924 20 0 DFADHO CC[C@@H](C)N[C@@H](CNC(=O)NC(C)(C)CCC[NH3+])c1ccco1 ZINC000418160641 296080863 /nfs/dbraw/zinc/08/08/63/296080863.db2.gz DKVFYMGJPGUOIR-KGLIPLIRSA-N 1 3 324.469 2.526 20 0 DFADHO O=C(NCCCCC[NH+]1CCCCC1)[C@H](C1CC1)N1CCCC1 ZINC000126999469 283951416 /nfs/dbraw/zinc/95/14/16/283951416.db2.gz LSJSYLDFNXWBKZ-SFHVURJKSA-N 1 3 321.509 2.633 20 0 DFADHO CCN(CC)CCC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC000595735070 399061887 /nfs/dbraw/zinc/06/18/87/399061887.db2.gz VKANTFAMCQMWEM-IXDOHACOSA-N 1 3 310.482 2.772 20 0 DFADHO CCN(CC)CCC[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC000595735070 399061890 /nfs/dbraw/zinc/06/18/90/399061890.db2.gz VKANTFAMCQMWEM-IXDOHACOSA-N 1 3 310.482 2.772 20 0 DFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCSCC1 ZINC000253232617 296121829 /nfs/dbraw/zinc/12/18/29/296121829.db2.gz FYKVXWGFWMCCDS-OWCLPIDISA-N 1 3 314.539 2.997 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000261725359 203102933 /nfs/dbraw/zinc/10/29/33/203102933.db2.gz MJDGFTRENPEDNT-CRAIPNDOSA-N 1 3 317.477 2.654 20 0 DFADHO C[C@@H]1CCC[C@](CNC(=O)C[C@H](N)c2ccccc2)([NH+](C)C)C1 ZINC000261844424 203133174 /nfs/dbraw/zinc/13/31/74/203133174.db2.gz ZDKZKBXNQRVTDX-AYBZRNKSSA-N 1 3 317.477 2.703 20 0 DFADHO CN(C)Cc1cccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c1 ZINC000262314470 203258792 /nfs/dbraw/zinc/25/87/92/203258792.db2.gz DHIASBQDNCFEAR-SFYZZRBRSA-N 1 3 315.461 2.840 20 0 DFADHO Cc1cccnc1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000093170962 193210879 /nfs/dbraw/zinc/21/08/79/193210879.db2.gz LPZGCICKHSUFIN-CALCHBBNSA-N 1 3 317.477 2.711 20 0 DFADHO Cc1cccnc1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000093170962 193210881 /nfs/dbraw/zinc/21/08/81/193210881.db2.gz LPZGCICKHSUFIN-CALCHBBNSA-N 1 3 317.477 2.711 20 0 DFADHO C[N@@H+]1CC[C@@H](NCCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340200972 284160540 /nfs/dbraw/zinc/16/05/40/284160540.db2.gz HGAHRNKVXYBBRJ-CABCVRRESA-N 1 3 316.367 2.990 20 0 DFADHO C[N@H+]1CC[C@@H](NCCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340200972 284160544 /nfs/dbraw/zinc/16/05/44/284160544.db2.gz HGAHRNKVXYBBRJ-CABCVRRESA-N 1 3 316.367 2.990 20 0 DFADHO CCC[C@](C)(N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000262656893 203366911 /nfs/dbraw/zinc/36/69/11/203366911.db2.gz CUSAFLDACXQPRK-SFHVURJKSA-N 1 3 316.449 2.659 20 0 DFADHO CCC[C@](C)(N)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000262700304 203385393 /nfs/dbraw/zinc/38/53/93/203385393.db2.gz HQIVPZZTRHDOMB-SFHVURJKSA-N 1 3 305.466 2.614 20 0 DFADHO CN1CCN(CC[NH2+][C@H](c2ccccc2)C2CC2)CC1(C)C ZINC000282455896 217008152 /nfs/dbraw/zinc/00/81/52/217008152.db2.gz VHQOEPJIXGAGIE-GOSISDBHSA-N 1 3 301.478 2.753 20 0 DFADHO Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c2cc(OC(F)F)ccc2n1 ZINC000420235629 296164624 /nfs/dbraw/zinc/16/46/24/296164624.db2.gz DEQDMBCFGWGAAK-TXEJJXNPSA-N 1 3 319.355 2.800 20 0 DFADHO CCOc1cc2nccc(N[C@@H](C)[C@H](C)[NH3+])c2cc1OCC ZINC000420274140 296168225 /nfs/dbraw/zinc/16/82/25/296168225.db2.gz YERSRILXEJKMTM-RYUDHWBXSA-N 1 3 303.406 2.602 20 0 DFADHO CCCN(CC[C@H]1CC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000420293838 296170587 /nfs/dbraw/zinc/17/05/87/296170587.db2.gz ANYBLMDCZVIABX-JKSUJKDBSA-N 1 3 303.450 2.725 20 0 DFADHO COc1ccc([C@@H](C[NH3+])CN2CCS[C@H](C(C)C)C2)cc1 ZINC000420296421 296171076 /nfs/dbraw/zinc/17/10/76/296171076.db2.gz DMVZGNGGBFWMGO-RDJZCZTQSA-N 1 3 308.491 2.811 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCS[C@H](C(C)C)C2)cc1 ZINC000420296421 296171077 /nfs/dbraw/zinc/17/10/77/296171077.db2.gz DMVZGNGGBFWMGO-RDJZCZTQSA-N 1 3 308.491 2.811 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2CCS[C@H](C(C)C)C2)cc1 ZINC000420296421 296171078 /nfs/dbraw/zinc/17/10/78/296171078.db2.gz DMVZGNGGBFWMGO-RDJZCZTQSA-N 1 3 308.491 2.811 20 0 DFADHO CC(C)[C@](C)(C[NH3+])NCCOc1cccc(Br)c1 ZINC000420298666 296171405 /nfs/dbraw/zinc/17/14/05/296171405.db2.gz FNVQBGDEUYODCR-AWEZNQCLSA-N 1 3 315.255 2.791 20 0 DFADHO Clc1ccccc1[C@@H]1CNCCN1CC[C@H]1CCC[NH2+]C1 ZINC000420303196 296172094 /nfs/dbraw/zinc/17/20/94/296172094.db2.gz CGPUQTWEFOCEKB-PBHICJAKSA-N 1 3 307.869 2.676 20 0 DFADHO COC(=O)c1cc2cc(CN3CCC([C@@H](C)[NH3+])CC3)ccc2o1 ZINC000420303844 296172219 /nfs/dbraw/zinc/17/22/19/296172219.db2.gz XNBBYHYKOREQCA-GFCCVEGCSA-N 1 3 316.401 2.779 20 0 DFADHO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420315122 296173895 /nfs/dbraw/zinc/17/38/95/296173895.db2.gz ZRLRVCVQJLECSW-SEVLPDGMSA-N 1 3 324.468 2.795 20 0 DFADHO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420315122 296173896 /nfs/dbraw/zinc/17/38/96/296173896.db2.gz ZRLRVCVQJLECSW-SEVLPDGMSA-N 1 3 324.468 2.795 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+](C)Cc2cccc(OC)c2)cc1 ZINC000420319484 296174358 /nfs/dbraw/zinc/17/43/58/296174358.db2.gz PPOYZAVQWTZVSY-QGZVFWFLSA-N 1 3 314.429 2.878 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+](C)Cc2cccc(OC)c2)cc1 ZINC000420319484 296174360 /nfs/dbraw/zinc/17/43/60/296174360.db2.gz PPOYZAVQWTZVSY-QGZVFWFLSA-N 1 3 314.429 2.878 20 0 DFADHO CCOc1cc2c(cc1OCC)CN(CC[C@H]1CC[NH2+]C1)CC2 ZINC000420320007 296174638 /nfs/dbraw/zinc/17/46/38/296174638.db2.gz PZHJAYVXFKRPAP-OAHLLOKOSA-N 1 3 318.461 2.842 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCSc2ccccc2)CC1 ZINC000420325223 296175156 /nfs/dbraw/zinc/17/51/56/296175156.db2.gz CTBKRDBKPLJJBK-SJORKVTESA-N 1 3 306.475 2.607 20 0 DFADHO COc1ccc([C@@H](C)C[NH+]2CCC(N(C)CCCO)CC2)cc1 ZINC000271744220 209174506 /nfs/dbraw/zinc/17/45/06/209174506.db2.gz AOKOJWZUBFBSGC-INIZCTEOSA-N 1 3 320.477 2.577 20 0 DFADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cccc2ccccc21 ZINC000420331687 296176364 /nfs/dbraw/zinc/17/63/64/296176364.db2.gz IUUCKKKWBNHCTA-CALCHBBNSA-N 1 3 323.440 2.710 20 0 DFADHO Cc1cccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420334288 296176671 /nfs/dbraw/zinc/17/66/71/296176671.db2.gz GCSXYCNZMHAEOP-BBWFWOEESA-N 1 3 315.461 2.644 20 0 DFADHO CC(C)CCC[C@H](C)NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335894 296177174 /nfs/dbraw/zinc/17/71/74/296177174.db2.gz IANLZZKOLVBYLM-BZSNNMDCSA-N 1 3 323.525 2.639 20 0 DFADHO Cc1ccc(NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000420339552 296177415 /nfs/dbraw/zinc/17/74/15/296177415.db2.gz LZTGAHCPSZEALV-IRXDYDNUSA-N 1 3 315.461 2.563 20 0 DFADHO Cc1ccc(C)c(NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420339037 296177498 /nfs/dbraw/zinc/17/74/98/296177498.db2.gz LOJRAVKFPJEMQI-IAGOWNOFSA-N 1 3 315.461 2.563 20 0 DFADHO Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)c(CN(C)C)c1 ZINC000080669204 399168210 /nfs/dbraw/zinc/16/82/10/399168210.db2.gz LALITOIJDCLSEN-SJORKVTESA-N 1 3 315.461 2.870 20 0 DFADHO Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)c(CN(C)C)c1 ZINC000080669204 399168215 /nfs/dbraw/zinc/16/82/15/399168215.db2.gz LALITOIJDCLSEN-SJORKVTESA-N 1 3 315.461 2.870 20 0 DFADHO COc1ccc([C@@H](C[NH3+])CN(C)C[C@H](C)c2nccs2)cc1 ZINC000420354746 296179237 /nfs/dbraw/zinc/17/92/37/296179237.db2.gz DFDRADMGTYDFBB-ZFWWWQNUSA-N 1 3 319.474 2.930 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+](C)C[C@H](C)c2nccs2)cc1 ZINC000420354746 296179238 /nfs/dbraw/zinc/17/92/38/296179238.db2.gz DFDRADMGTYDFBB-ZFWWWQNUSA-N 1 3 319.474 2.930 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+](C)C[C@H](C)c2nccs2)cc1 ZINC000420354746 296179239 /nfs/dbraw/zinc/17/92/39/296179239.db2.gz DFDRADMGTYDFBB-ZFWWWQNUSA-N 1 3 319.474 2.930 20 0 DFADHO CC(C)[C@@H]([NH2+]C[C@H](O)[C@@H](N)Cc1ccccc1)c1ccccc1 ZINC000420363045 296180362 /nfs/dbraw/zinc/18/03/62/296180362.db2.gz BBDVOVZVXKOWKP-SLFFLAALSA-N 1 3 312.457 2.904 20 0 DFADHO CC(C)[C@@H](NC[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000420363045 296180363 /nfs/dbraw/zinc/18/03/63/296180363.db2.gz BBDVOVZVXKOWKP-SLFFLAALSA-N 1 3 312.457 2.904 20 0 DFADHO COc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)c(C)c1OC ZINC000342061007 284318402 /nfs/dbraw/zinc/31/84/02/284318402.db2.gz NPGXNHBPAVAXIG-UHFFFAOYSA-N 1 3 318.461 2.976 20 0 DFADHO C[C@H]1CCN(CCCc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000420385235 296184313 /nfs/dbraw/zinc/18/43/13/296184313.db2.gz SPSRTVKPQJXXFF-HOCLYGCPSA-N 1 3 314.433 2.586 20 0 DFADHO c1cc(CCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000420390172 296184856 /nfs/dbraw/zinc/18/48/56/296184856.db2.gz HYQIYNQMLALTQN-QZTJIDSGSA-N 1 3 300.446 2.628 20 0 DFADHO C[C@@H]1CCN(CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000420395232 296185621 /nfs/dbraw/zinc/18/56/21/296185621.db2.gz DEUWYVKTZMLAOZ-OLZOCXBDSA-N 1 3 309.841 2.585 20 0 DFADHO COc1ccc([C@H](CN)C[NH2+][C@H]2CCCO[C@H]2CC(C)C)cc1 ZINC000420404623 296186910 /nfs/dbraw/zinc/18/69/10/296186910.db2.gz MKPOGJDPGKWXJH-NEWSRXKRSA-N 1 3 320.477 2.921 20 0 DFADHO C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000282734906 217211786 /nfs/dbraw/zinc/21/17/86/217211786.db2.gz SVFIEBJIDHONDA-HNNXBMFYSA-N 1 3 323.912 2.887 20 0 DFADHO C[C@H](Cc1cccc(Cl)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282788105 217251680 /nfs/dbraw/zinc/25/16/80/217251680.db2.gz YIOPOVQBXNNQSB-OAHLLOKOSA-N 1 3 323.912 2.887 20 0 DFADHO CC(C)[N@H+](C)CCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000063782492 399207801 /nfs/dbraw/zinc/20/78/01/399207801.db2.gz OMXDFCVZIQEWHP-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CC(C)[N@@H+](C)CCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000063782492 399207803 /nfs/dbraw/zinc/20/78/03/399207803.db2.gz OMXDFCVZIQEWHP-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000614331280 399210016 /nfs/dbraw/zinc/21/00/16/399210016.db2.gz PJXYWLCHEVHXIG-IAGOWNOFSA-N 1 3 321.509 2.584 20 0 DFADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000614331280 399210018 /nfs/dbraw/zinc/21/00/18/399210018.db2.gz PJXYWLCHEVHXIG-IAGOWNOFSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000342732716 284396130 /nfs/dbraw/zinc/39/61/30/284396130.db2.gz LCNIASWXWUMKOH-YQQAZPJKSA-N 1 3 317.477 2.620 20 0 DFADHO Cc1ncc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)n1-c1ccccc1 ZINC000081292617 399223186 /nfs/dbraw/zinc/22/31/86/399223186.db2.gz ZUFLGFWQXIUQIR-INIZCTEOSA-N 1 3 310.445 2.755 20 0 DFADHO Cc1ncc(C[NH2+]CC(C)(C)CN(C)C)n1-c1ccccc1 ZINC000081292493 399223802 /nfs/dbraw/zinc/22/38/02/399223802.db2.gz WWOGUXGFSOARKS-UHFFFAOYSA-N 1 3 300.450 2.858 20 0 DFADHO C[C@H]([NH2+]Cc1ccncc1OCCN(C)C)C1CCSCC1 ZINC000343934101 284542546 /nfs/dbraw/zinc/54/25/46/284542546.db2.gz NQIDFMGEMPYGOI-AWEZNQCLSA-N 1 3 323.506 2.643 20 0 DFADHO C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccncc1OCCN(C)C ZINC000343974322 284547331 /nfs/dbraw/zinc/54/73/31/284547331.db2.gz GBCKAQOYAWONPU-LBPRGKRZSA-N 1 3 319.371 2.843 20 0 DFADHO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C1(C)C ZINC000608579147 399276319 /nfs/dbraw/zinc/27/63/19/399276319.db2.gz CCWSLEARRKMBNJ-PKOBYXMFSA-N 1 3 320.477 2.920 20 0 DFADHO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1cccc(CN(C)C)c1 ZINC000623058563 399320810 /nfs/dbraw/zinc/32/08/10/399320810.db2.gz FSISMTKDQYXRHP-QGZVFWFLSA-N 1 3 306.454 2.633 20 0 DFADHO CN(C)CCN(C)CCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000623088051 399324797 /nfs/dbraw/zinc/32/47/97/399324797.db2.gz UEJPFFNVYZPJGG-MJGOQNOKSA-N 1 3 318.509 2.581 20 0 DFADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000344749452 284680496 /nfs/dbraw/zinc/68/04/96/284680496.db2.gz NYEIFZUSBBXRNM-ZWKOTPCHSA-N 1 3 302.462 2.677 20 0 DFADHO Clc1ccc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000051919405 425883582 /nfs/dbraw/zinc/88/35/82/425883582.db2.gz LKJKGTCRWKXMAS-HNNXBMFYSA-N 1 3 307.869 2.852 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C)nc(C)c2)[C@@H](C)C1 ZINC000421879457 296278439 /nfs/dbraw/zinc/27/84/39/296278439.db2.gz NEWDAWXDVLQENE-HNAYVOBHSA-N 1 3 319.493 2.925 20 0 DFADHO CN(C)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623335822 399365069 /nfs/dbraw/zinc/36/50/69/399365069.db2.gz GLTLEEACZNAIRF-QZTJIDSGSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623335822 399365072 /nfs/dbraw/zinc/36/50/72/399365072.db2.gz GLTLEEACZNAIRF-QZTJIDSGSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)[C@@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)Cc1ccccc1 ZINC000623335822 399365074 /nfs/dbraw/zinc/36/50/74/399365074.db2.gz GLTLEEACZNAIRF-QZTJIDSGSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336031 399365724 /nfs/dbraw/zinc/36/57/24/399365724.db2.gz RGROPLDXIMPBSH-IRXDYDNUSA-N 1 3 307.457 2.891 20 0 DFADHO CN(C)[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336031 399365725 /nfs/dbraw/zinc/36/57/25/399365725.db2.gz RGROPLDXIMPBSH-IRXDYDNUSA-N 1 3 307.457 2.891 20 0 DFADHO CN(C)[C@@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336031 399365727 /nfs/dbraw/zinc/36/57/27/399365727.db2.gz RGROPLDXIMPBSH-IRXDYDNUSA-N 1 3 307.457 2.891 20 0 DFADHO CN(C)C(=O)C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000623374372 399374988 /nfs/dbraw/zinc/37/49/88/399374988.db2.gz BPDSKHAZGMWDKT-IRXDYDNUSA-N 1 3 317.477 2.668 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413424 399383260 /nfs/dbraw/zinc/38/32/60/399383260.db2.gz VKAGJFVRKYBMON-AEFFLSMTSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413424 399383263 /nfs/dbraw/zinc/38/32/63/399383263.db2.gz VKAGJFVRKYBMON-AEFFLSMTSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413424 399383267 /nfs/dbraw/zinc/38/32/67/399383267.db2.gz VKAGJFVRKYBMON-AEFFLSMTSA-N 1 3 303.494 2.969 20 0 DFADHO CN(C)C1(C[NH2+][C@H]2CCN(C)C(C)(C)C2)Cc2ccccc2C1 ZINC000623429478 399387480 /nfs/dbraw/zinc/38/74/80/399387480.db2.gz FYYANMHGPYFBII-SFHVURJKSA-N 1 3 315.505 2.548 20 0 DFADHO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623430921 399387941 /nfs/dbraw/zinc/38/79/41/399387941.db2.gz LOBDWBYURDKNGR-CJNGLKHVSA-N 1 3 304.434 2.981 20 0 DFADHO C[C@@H]1C[C@H](C)N(Cc2cc(-n3ccnc3)cs2)C[C@@H]1C[NH3+] ZINC000422562484 296312950 /nfs/dbraw/zinc/31/29/50/296312950.db2.gz QLAICCJLMLRNBH-RDBSUJKOSA-N 1 3 304.463 2.739 20 0 DFADHO Cn1c2ccccc2nc1CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000268901180 207068821 /nfs/dbraw/zinc/06/88/21/207068821.db2.gz UNBKSCSTAHHRMH-RDJZCZTQSA-N 1 3 312.461 2.532 20 0 DFADHO Cn1c2ccccc2nc1CCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000268901180 207068822 /nfs/dbraw/zinc/06/88/22/207068822.db2.gz UNBKSCSTAHHRMH-RDJZCZTQSA-N 1 3 312.461 2.532 20 0 DFADHO Cn1c2ccccc2nc1CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000268901180 207068827 /nfs/dbraw/zinc/06/88/27/207068827.db2.gz UNBKSCSTAHHRMH-RDJZCZTQSA-N 1 3 312.461 2.532 20 0 DFADHO Cn1c2ccccc2nc1CC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000268901180 207068831 /nfs/dbraw/zinc/06/88/31/207068831.db2.gz UNBKSCSTAHHRMH-RDJZCZTQSA-N 1 3 312.461 2.532 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@@H]1CCCCN1 ZINC000422687310 296317967 /nfs/dbraw/zinc/31/79/67/296317967.db2.gz BLSUVIORONYOGH-MOPGFXCFSA-N 1 3 316.493 2.556 20 0 DFADHO CC[C@@H](NC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422687310 296317968 /nfs/dbraw/zinc/31/79/68/296317968.db2.gz BLSUVIORONYOGH-MOPGFXCFSA-N 1 3 316.493 2.556 20 0 DFADHO CC(C)(C[NH2+][C@H]1CCCC[C@H]1CN)N1CCc2ccccc2C1 ZINC000422703481 296318571 /nfs/dbraw/zinc/31/85/71/296318571.db2.gz NFDTVEJNPYFVRN-HKUYNNGSSA-N 1 3 315.505 2.930 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc(COC2CCOCC2)c1 ZINC000422703254 296318598 /nfs/dbraw/zinc/31/85/98/296318598.db2.gz HHBCCKIAHAUTJA-LSDHHAIUSA-N 1 3 306.450 2.598 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1cc(Cl)cc(Cl)c1 ZINC000422707739 296319254 /nfs/dbraw/zinc/31/92/54/296319254.db2.gz AQLZXYOJRUZQKC-COLVAYQJSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422707739 296319256 /nfs/dbraw/zinc/31/92/56/296319256.db2.gz AQLZXYOJRUZQKC-COLVAYQJSA-N 1 3 317.260 2.878 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000422707556 296319473 /nfs/dbraw/zinc/31/94/73/296319473.db2.gz ALEDHQYAXAQQIZ-HOCLYGCPSA-N 1 3 313.401 2.749 20 0 DFADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCCN1)N1CCc2sccc2C1 ZINC000422711313 296320065 /nfs/dbraw/zinc/32/00/65/296320065.db2.gz GWYQWRAUYRUKIO-IJEWVQPXSA-N 1 3 307.507 2.615 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000422717093 296321009 /nfs/dbraw/zinc/32/10/09/296321009.db2.gz VJOIERZLHZWAFG-HUUCEWRRSA-N 1 3 304.482 2.621 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000422715561 296320531 /nfs/dbraw/zinc/32/05/31/296320531.db2.gz SGCDZMNHCACKBO-XEZPLFJOSA-N 1 3 310.869 2.960 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC(C)(C)c1ccccc1Cl ZINC000422715561 296320533 /nfs/dbraw/zinc/32/05/33/296320533.db2.gz SGCDZMNHCACKBO-XEZPLFJOSA-N 1 3 310.869 2.960 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422715318 296320651 /nfs/dbraw/zinc/32/06/51/296320651.db2.gz JBPBEMUIDSVZHV-QFBILLFUSA-N 1 3 319.468 2.897 20 0 DFADHO Cn1c2ccccc2cc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1=O ZINC000623530744 399409682 /nfs/dbraw/zinc/40/96/82/399409682.db2.gz LPJHTIPPXIMBPL-MRXNPFEDSA-N 1 3 313.445 2.501 20 0 DFADHO CCC(CC)C(=O)N1CCC(N[C@H](CC)[C@H]2CCCC[NH2+]2)CC1 ZINC000422723525 296321656 /nfs/dbraw/zinc/32/16/56/296321656.db2.gz RRYSJUPAIKZZGB-QZTJIDSGSA-N 1 3 323.525 2.924 20 0 DFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000602278715 399417935 /nfs/dbraw/zinc/41/79/35/399417935.db2.gz YUPYYQXJYIVPKF-IBGZPJMESA-N 1 3 315.505 2.897 20 0 DFADHO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000602288432 399419549 /nfs/dbraw/zinc/41/95/49/399419549.db2.gz YIZGSVBZHUSEAE-MAUKXSAKSA-N 1 3 308.466 2.514 20 0 DFADHO CC[C@@H]1CCCCN1CC[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000422730993 296323051 /nfs/dbraw/zinc/32/30/51/296323051.db2.gz MXXBNXJJFNQNRV-QXAKKESOSA-N 1 3 303.494 2.799 20 0 DFADHO CN1CCCC[C@@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000623657766 399438027 /nfs/dbraw/zinc/43/80/27/399438027.db2.gz YQRDHIVQNBUADT-AWEZNQCLSA-N 1 3 304.463 2.755 20 0 DFADHO C[N@@H+]1CCCC[C@@H](CNCc2cc(-n3ccnc3)cs2)C1 ZINC000623657766 399438029 /nfs/dbraw/zinc/43/80/29/399438029.db2.gz YQRDHIVQNBUADT-AWEZNQCLSA-N 1 3 304.463 2.755 20 0 DFADHO C[N@H+]1CCCC[C@@H](CNCc2cc(-n3ccnc3)cs2)C1 ZINC000623657766 399438030 /nfs/dbraw/zinc/43/80/30/399438030.db2.gz YQRDHIVQNBUADT-AWEZNQCLSA-N 1 3 304.463 2.755 20 0 DFADHO CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000269054472 207201987 /nfs/dbraw/zinc/20/19/87/207201987.db2.gz ITSVDSYZEGWIRU-JKSUJKDBSA-N 1 3 308.466 2.686 20 0 DFADHO CN1CCC(O)(C[NH2+]C2CCC(c3ccccc3)CC2)CC1 ZINC000269072827 207219578 /nfs/dbraw/zinc/21/95/78/207219578.db2.gz XLTYYFHTCSVWLL-UHFFFAOYSA-N 1 3 302.462 2.759 20 0 DFADHO CC(C)(O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000269064912 207214249 /nfs/dbraw/zinc/21/42/49/207214249.db2.gz VJQWMRNORSHEAO-QZTJIDSGSA-N 1 3 302.462 2.744 20 0 DFADHO CC(C)(O)CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000269064912 207214251 /nfs/dbraw/zinc/21/42/51/207214251.db2.gz VJQWMRNORSHEAO-QZTJIDSGSA-N 1 3 302.462 2.744 20 0 DFADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000063195092 184277786 /nfs/dbraw/zinc/27/77/86/184277786.db2.gz DAQLWBOAZSDVJU-DOMZBBRYSA-N 1 3 309.841 2.870 20 0 DFADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000063195092 184277789 /nfs/dbraw/zinc/27/77/89/184277789.db2.gz DAQLWBOAZSDVJU-DOMZBBRYSA-N 1 3 309.841 2.870 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H](c1cccs1)N1CCCC1 ZINC000422735331 296323882 /nfs/dbraw/zinc/32/38/82/296323882.db2.gz VZCJEZSZMRZQDM-XHSDSOJGSA-N 1 3 307.507 2.992 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1ccccc1)N1CCCC1 ZINC000422737260 296324098 /nfs/dbraw/zinc/32/40/98/296324098.db2.gz ZKLJERWRYCLRSO-BHIYHBOVSA-N 1 3 301.478 2.801 20 0 DFADHO C[C@@H](NC[C@@H](c1cccs1)N1CCC(C)CC1)C1C[NH2+]C1 ZINC000422739881 296324611 /nfs/dbraw/zinc/32/46/11/296324611.db2.gz AOKYCPSOVJZCSB-ZBFHGGJFSA-N 1 3 307.507 2.719 20 0 DFADHO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422752124 296326516 /nfs/dbraw/zinc/32/65/16/296326516.db2.gz GYYGTMGGXZQFOD-GDBMZVCRSA-N 1 3 300.450 2.713 20 0 DFADHO C[C@H](Cc1cccc(Br)c1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000422751275 296326582 /nfs/dbraw/zinc/32/65/82/296326582.db2.gz BCTKDWITYRVULW-MBNYWOFBSA-N 1 3 311.267 2.968 20 0 DFADHO COCc1cc(CN[C@H](C)c2ccc(C[NH3+])nc2C)ccc1F ZINC000422751738 296326606 /nfs/dbraw/zinc/32/66/06/296326606.db2.gz ACGPAENBVVOULX-GFCCVEGCSA-N 1 3 317.408 2.985 20 0 DFADHO c1nc2ccccc2n1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422754954 296327482 /nfs/dbraw/zinc/32/74/82/296327482.db2.gz GKHHJXKKVVRFAZ-GVDBMIGSSA-N 1 3 312.461 2.937 20 0 DFADHO Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422752426 296326944 /nfs/dbraw/zinc/32/69/44/296326944.db2.gz GYYGTMGGXZQFOD-HOCLYGCPSA-N 1 3 300.450 2.713 20 0 DFADHO CC[C@H](N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422761532 296328418 /nfs/dbraw/zinc/32/84/18/296328418.db2.gz MVQDVGBLZMHTKV-GBESFXJTSA-N 1 3 301.478 2.771 20 0 DFADHO COc1ccc(OC)c(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422761096 296328442 /nfs/dbraw/zinc/32/84/42/296328442.db2.gz MMJJOHNAOKJDOQ-ROUUACIJSA-N 1 3 312.413 2.981 20 0 DFADHO COc1ccc(OC)c(CC[NH2+][C@H]2C[C@H](N)c3ccccc32)c1 ZINC000422761096 296328443 /nfs/dbraw/zinc/32/84/43/296328443.db2.gz MMJJOHNAOKJDOQ-ROUUACIJSA-N 1 3 312.413 2.981 20 0 DFADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000422762994 296328864 /nfs/dbraw/zinc/32/88/64/296328864.db2.gz OHWHDMSXRZNWAE-HOTGVXAUSA-N 1 3 308.853 2.858 20 0 DFADHO CCOc1cc(CCCN[C@H](C)[C@H]2CC[NH2+]C2)ccc1OC ZINC000422763691 296328878 /nfs/dbraw/zinc/32/88/78/296328878.db2.gz ULLKCTWNFGKPQU-ZBFHGGJFSA-N 1 3 306.450 2.614 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@@H]1CCCCO1 ZINC000623888953 399487681 /nfs/dbraw/zinc/48/76/81/399487681.db2.gz ZTCOTPZPAIJXNB-APWZRJJASA-N 1 3 320.477 2.717 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000422780854 296332113 /nfs/dbraw/zinc/33/21/13/296332113.db2.gz KUOBNWSEHQNLQD-KKBVYLPWSA-N 1 3 303.450 2.703 20 0 DFADHO CCCN1CCC([NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000422784256 296332314 /nfs/dbraw/zinc/33/23/14/296332314.db2.gz NVNOVFSUUGCGEB-MOPGFXCFSA-N 1 3 301.478 2.944 20 0 DFADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1CCCCO1 ZINC000623907701 399491225 /nfs/dbraw/zinc/49/12/25/399491225.db2.gz BDLNJRNRLYNRPB-YJBOKZPZSA-N 1 3 303.450 2.845 20 0 DFADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1CCCCO1 ZINC000623907699 399491372 /nfs/dbraw/zinc/49/13/72/399491372.db2.gz BDLNJRNRLYNRPB-MAUKXSAKSA-N 1 3 303.450 2.845 20 0 DFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000422788355 296332854 /nfs/dbraw/zinc/33/28/54/296332854.db2.gz NDAIOHMWACXYBN-BZZMCLGOSA-N 1 3 320.502 2.914 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000422787699 296333008 /nfs/dbraw/zinc/33/30/08/296333008.db2.gz UXUBORPLOIKAQM-KURKYZTESA-N 1 3 318.461 2.757 20 0 DFADHO C(C[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1)COCC1CCOCC1 ZINC000422791258 296333240 /nfs/dbraw/zinc/33/32/40/296333240.db2.gz VVFBIWYOBIIEQB-QRVBRYPASA-N 1 3 324.509 2.720 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCn1cnc2ccccc21 ZINC000422792594 296333504 /nfs/dbraw/zinc/33/35/04/296333504.db2.gz XHLGELDHCXWPRT-QFBILLFUSA-N 1 3 322.456 2.975 20 0 DFADHO CN(C)C1(C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)CCCC1 ZINC000422791822 296333524 /nfs/dbraw/zinc/33/35/24/296333524.db2.gz VGKLCVATVKCALZ-ZWKOTPCHSA-N 1 3 301.478 2.944 20 0 DFADHO CC[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422801466 296335473 /nfs/dbraw/zinc/33/54/73/296335473.db2.gz BZKJSABIYSSHRS-IPELMVKDSA-N 1 3 301.478 2.553 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000269249286 207386664 /nfs/dbraw/zinc/38/66/64/207386664.db2.gz XIDRIGNKGBXTGQ-CRAIPNDOSA-N 1 3 317.477 2.661 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000269249286 207386671 /nfs/dbraw/zinc/38/66/71/207386671.db2.gz XIDRIGNKGBXTGQ-CRAIPNDOSA-N 1 3 317.477 2.661 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422796881 296334885 /nfs/dbraw/zinc/33/48/85/296334885.db2.gz ZIJRRAMNBQAOLT-UTRMSSBJSA-N 1 3 318.461 2.973 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000422804749 296336102 /nfs/dbraw/zinc/33/61/02/296336102.db2.gz LCOIDJYLZXVCBL-WBAXXEDZSA-N 1 3 317.502 2.899 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](c1ccsc1)N(C)C ZINC000422804749 296336103 /nfs/dbraw/zinc/33/61/03/296336103.db2.gz LCOIDJYLZXVCBL-WBAXXEDZSA-N 1 3 317.502 2.899 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cc(N(C)C)nc2ccccc12 ZINC000422807331 296336673 /nfs/dbraw/zinc/33/66/73/296336673.db2.gz MHJWQFNBFZKMLZ-WMLDXEAASA-N 1 3 312.461 2.779 20 0 DFADHO CO[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000422807232 296336698 /nfs/dbraw/zinc/33/66/98/296336698.db2.gz JLJIHXIXEYSQJQ-SUMDDJOVSA-N 1 3 318.461 2.893 20 0 DFADHO CC(C)(CN[C@H]1CCCCC[C@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000422819820 296339003 /nfs/dbraw/zinc/33/90/03/296339003.db2.gz IYTPTQNYVMTXKK-CVEARBPZSA-N 1 3 318.461 2.985 20 0 DFADHO CCN(CC)[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422828729 296340778 /nfs/dbraw/zinc/34/07/78/296340778.db2.gz GPKJUCMUMGBEJP-QXAKKESOSA-N 1 3 303.494 2.670 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000422830962 296341103 /nfs/dbraw/zinc/34/11/03/296341103.db2.gz JDBUACWKZDWAHX-WJFTUGDTSA-N 1 3 317.477 2.568 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)Cc1ccccc1 ZINC000422832873 296341291 /nfs/dbraw/zinc/34/12/91/296341291.db2.gz LMEBSIPEUGATHE-YZGWKJHDSA-N 1 3 317.521 2.917 20 0 DFADHO C[C@@H](NC[C@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834947 296341750 /nfs/dbraw/zinc/34/17/50/296341750.db2.gz HZWQVDBPUJQBGD-INMHGKMJSA-N 1 3 307.507 2.690 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000422836441 296342059 /nfs/dbraw/zinc/34/20/59/296342059.db2.gz KFOKWAHVIZHHTN-OKYOBFRVSA-N 1 3 301.478 2.942 20 0 DFADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422841297 296342688 /nfs/dbraw/zinc/34/26/88/296342688.db2.gz VOKLGYNWZWRPFU-INMHGKMJSA-N 1 3 307.507 2.548 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(CC(F)(F)F)CC1 ZINC000422854533 296345284 /nfs/dbraw/zinc/34/52/84/296345284.db2.gz AZGYVBOQPSVSNB-HIFRSBDPSA-N 1 3 321.431 2.914 20 0 DFADHO C[C@H](CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422853348 296345430 /nfs/dbraw/zinc/34/54/30/296345430.db2.gz SAODVYHIFGUDME-XGXHKWSGSA-N 1 3 302.462 2.927 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422852225 296344873 /nfs/dbraw/zinc/34/48/73/296344873.db2.gz XRXBBPOAQBTKIR-WMZOPIPTSA-N 1 3 302.462 2.713 20 0 DFADHO OCCNC1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000631861854 399511107 /nfs/dbraw/zinc/51/11/07/399511107.db2.gz BKAWCUYZVMXOEA-UHFFFAOYSA-N 1 3 308.425 2.803 20 0 DFADHO CCOc1ccc(C2(C[NH2+][C@H](C)C[C@H](C)N)CCOCC2)cc1 ZINC000422874543 296348375 /nfs/dbraw/zinc/34/83/75/296348375.db2.gz AIJHRXYXVIVHST-JKSUJKDBSA-N 1 3 320.477 2.849 20 0 DFADHO CCOc1ccc(C2(CN[C@H](C)C[C@H](C)[NH3+])CCOCC2)cc1 ZINC000422874543 296348376 /nfs/dbraw/zinc/34/83/76/296348376.db2.gz AIJHRXYXVIVHST-JKSUJKDBSA-N 1 3 320.477 2.849 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CC[C@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000347392390 285028429 /nfs/dbraw/zinc/02/84/29/285028429.db2.gz LCDJNMKAGBCWCY-ZIFCJYIRSA-N 1 3 324.509 2.767 20 0 DFADHO c1cnn(-c2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000422882905 296350266 /nfs/dbraw/zinc/35/02/66/296350266.db2.gz POHPHTUGCQHPRD-CEXWTWQISA-N 1 3 310.445 2.883 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[NH2+]CC2)cc1OC(F)F ZINC000422881141 296349613 /nfs/dbraw/zinc/34/96/13/296349613.db2.gz PNZOLYCCHUCUEV-CYBMUJFWSA-N 1 3 314.376 2.571 20 0 DFADHO COc1ccc(CC[NH2+][C@@H]2CCCNCC2)cc1OC(F)F ZINC000422881141 296349614 /nfs/dbraw/zinc/34/96/14/296349614.db2.gz PNZOLYCCHUCUEV-CYBMUJFWSA-N 1 3 314.376 2.571 20 0 DFADHO Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2CN)CCOCC1 ZINC000422882260 296349640 /nfs/dbraw/zinc/34/96/40/296349640.db2.gz RRZKAWBYDRRIMM-FUHWJXTLSA-N 1 3 302.462 2.760 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422891131 296351524 /nfs/dbraw/zinc/35/15/24/296351524.db2.gz KCPWDEWQHSZKLW-JSGCOSHPSA-N 1 3 302.340 2.845 20 0 DFADHO Cc1nc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)sc1C ZINC000422890314 296351623 /nfs/dbraw/zinc/35/16/23/296351623.db2.gz IDADKOKGYAFDPE-LLVKDONJSA-N 1 3 304.463 2.815 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccnc(N2CCCCC2)c1 ZINC000422900197 296352843 /nfs/dbraw/zinc/35/28/43/296352843.db2.gz QBONPZYGMNYKEW-SJORKVTESA-N 1 3 302.466 2.679 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(Sc2ccccc2)CC1 ZINC000422902493 296353286 /nfs/dbraw/zinc/35/32/86/296353286.db2.gz DKFFYECFEMCGMP-IMJJTQAJSA-N 1 3 306.475 2.653 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422902493 296353287 /nfs/dbraw/zinc/35/32/87/296353287.db2.gz DKFFYECFEMCGMP-IMJJTQAJSA-N 1 3 306.475 2.653 20 0 DFADHO C[C@H](NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422902671 296353306 /nfs/dbraw/zinc/35/33/06/296353306.db2.gz UXUMDLNGNJFPSF-MPGHIAIKSA-N 1 3 305.441 2.772 20 0 DFADHO COc1ccc(COCCC[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000422902922 296353430 /nfs/dbraw/zinc/35/34/30/296353430.db2.gz FBJJHJSCNQDVEV-AEFFLSMTSA-N 1 3 306.450 2.709 20 0 DFADHO CC(C)COc1cccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000422902660 296353489 /nfs/dbraw/zinc/35/34/89/296353489.db2.gz UXNJQYQYXAFUHT-BMGDILEWSA-N 1 3 306.450 2.563 20 0 DFADHO Cc1nc(CCN[C@H](Cc2ccccc2)[C@H](C)[NH3+])sc1C ZINC000422895057 296352259 /nfs/dbraw/zinc/35/22/59/296352259.db2.gz VDJXQVNOLCLLBT-BLLLJJGKSA-N 1 3 303.475 2.851 20 0 DFADHO CCc1nc(CCN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])cs1 ZINC000422897630 296352580 /nfs/dbraw/zinc/35/25/80/296352580.db2.gz CJUOCQDFCXSPIF-CZUORRHYSA-N 1 3 303.475 2.796 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000422904432 296354036 /nfs/dbraw/zinc/35/40/36/296354036.db2.gz PYCPUPZVOZJRON-NVXWUHKLSA-N 1 3 316.424 2.927 20 0 DFADHO CC(C)c1nc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cs1 ZINC000422907260 296354305 /nfs/dbraw/zinc/35/43/05/296354305.db2.gz WSEBLBNVWKFNLP-ARFHVFGLSA-N 1 3 323.506 2.556 20 0 DFADHO Fc1cccc(F)c1CN1CCC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000422906519 296354407 /nfs/dbraw/zinc/35/44/07/296354407.db2.gz KBIWJFYWRNJNLR-CABCVRRESA-N 1 3 323.431 2.661 20 0 DFADHO C[C@H](NCCc1nc2ccccc2n1C(F)F)[C@@H]1CC[NH2+]C1 ZINC000422910024 296354519 /nfs/dbraw/zinc/35/45/19/296354519.db2.gz HGJXHXQEKPAYOR-NWDGAFQWSA-N 1 3 308.376 2.562 20 0 DFADHO COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCCC[C@H]3CN)C2)c1 ZINC000422907625 296354521 /nfs/dbraw/zinc/35/45/21/296354521.db2.gz XGRFFJGNDREMJT-JTDSTZFVSA-N 1 3 317.477 2.629 20 0 DFADHO COc1cccc(N2CC[C@H](C[NH2+][C@H]3CCCC[C@@H]3CN)C2)c1 ZINC000422907626 296354692 /nfs/dbraw/zinc/35/46/92/296354692.db2.gz XGRFFJGNDREMJT-MDZRGWNJSA-N 1 3 317.477 2.629 20 0 DFADHO C[C@H](NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422902673 296353540 /nfs/dbraw/zinc/35/35/40/296353540.db2.gz UXUMDLNGNJFPSF-RLFYNMQTSA-N 1 3 305.441 2.772 20 0 DFADHO CCN1CCN(c2ccccc2N[C@H](C)CCCC[NH3+])CC1 ZINC000422916328 296355449 /nfs/dbraw/zinc/35/54/49/296355449.db2.gz DHXIMJRLRGBRQW-MRXNPFEDSA-N 1 3 304.482 2.758 20 0 DFADHO CC(C)[C@H](CN[C@H](C)C[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000422925604 296355923 /nfs/dbraw/zinc/35/59/23/296355923.db2.gz BIPYLAXEGWVCAA-FCEWJHQRSA-N 1 3 303.494 2.785 20 0 DFADHO C[C@H](NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000422910505 296354839 /nfs/dbraw/zinc/35/48/39/296354839.db2.gz QVCDVEGHNFEHEM-KSSFIOAISA-N 1 3 321.896 2.892 20 0 DFADHO CCN1CCN(Cc2ccc(N[C@H](C)CCCC[NH3+])cc2)CC1 ZINC000422916258 296355207 /nfs/dbraw/zinc/35/52/07/296355207.db2.gz DCTCYLXWWIORLC-QGZVFWFLSA-N 1 3 318.509 2.754 20 0 DFADHO Clc1ccc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000422927990 296356584 /nfs/dbraw/zinc/35/65/84/296356584.db2.gz IESVCUCZBVGQRC-RRFJBIMHSA-N 1 3 309.841 2.624 20 0 DFADHO COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000422931898 296357359 /nfs/dbraw/zinc/35/73/59/296357359.db2.gz YJEONKQVPMNHOV-RDTXWAMCSA-N 1 3 322.449 2.580 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000422928986 296356348 /nfs/dbraw/zinc/35/63/48/296356348.db2.gz NSSMWKOMKBVRFP-SCTLDFNZSA-N 1 3 306.494 2.935 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422929133 296356386 /nfs/dbraw/zinc/35/63/86/296356386.db2.gz OIXDXBFPLLCSLL-CHWSQXEVSA-N 1 3 302.340 2.845 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1ccccc1OC(F)(F)F ZINC000422929133 296356387 /nfs/dbraw/zinc/35/63/87/296356387.db2.gz OIXDXBFPLLCSLL-CHWSQXEVSA-N 1 3 302.340 2.845 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000422928984 296356398 /nfs/dbraw/zinc/35/63/98/296356398.db2.gz NSSMWKOMKBVRFP-NBBKQUKZSA-N 1 3 306.494 2.935 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1ccc(-c2csc(C)n2)o1 ZINC000422936617 296357983 /nfs/dbraw/zinc/35/79/83/296357983.db2.gz FJZCXQDIHOVBBL-LBPRGKRZSA-N 1 3 309.435 2.555 20 0 DFADHO [NH3+]CC1CCC(NCc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000422943441 296358542 /nfs/dbraw/zinc/35/85/42/296358542.db2.gz LLXPIKLKDPNWGC-UHFFFAOYSA-N 1 3 324.472 2.968 20 0 DFADHO CC[C@H](N[C@H]1CC[NH2+]CC[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000422947109 296359480 /nfs/dbraw/zinc/35/94/80/296359480.db2.gz PXKFEGHKOVBHHM-KBMXLJTQSA-N 1 3 304.434 2.887 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOc1ccc(C(F)(F)F)cc1 ZINC000422948447 296359669 /nfs/dbraw/zinc/35/96/69/296359669.db2.gz RIFXUAKHZNIHPB-SMDDNHRTSA-N 1 3 302.340 2.801 20 0 DFADHO C[C@@H](NCCOc1ccc(C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000422949087 296359720 /nfs/dbraw/zinc/35/97/20/296359720.db2.gz SRANRFQYUWVMHB-VXGBXAGGSA-N 1 3 302.340 2.672 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCCOc1cccc(Br)c1 ZINC000422949352 296359813 /nfs/dbraw/zinc/35/98/13/296359813.db2.gz TUCVISYVZTZCBE-QWRGUYRKSA-N 1 3 301.228 2.543 20 0 DFADHO CC(C)c1ccccc1OCCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422955565 296360743 /nfs/dbraw/zinc/36/07/43/296360743.db2.gz JNYLCQBKVLDQOO-USXIJHARSA-N 1 3 306.450 2.531 20 0 DFADHO CCc1noc(-c2ccc(CCN[C@@H](C)C[C@H](C)[NH3+])cc2)n1 ZINC000422960534 296361234 /nfs/dbraw/zinc/36/12/34/296361234.db2.gz WUNILGXVGJLMQR-STQMWFEESA-N 1 3 302.422 2.557 20 0 DFADHO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)C[C@H](C)N)cc2)n1 ZINC000422960534 296361236 /nfs/dbraw/zinc/36/12/36/296361236.db2.gz WUNILGXVGJLMQR-STQMWFEESA-N 1 3 302.422 2.557 20 0 DFADHO Cc1nccn1C[C@H](C)C[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000422961652 296361385 /nfs/dbraw/zinc/36/13/85/296361385.db2.gz ZMIYIPIPISXDMM-MNEFBYGVSA-N 1 3 312.461 2.911 20 0 DFADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000422963710 296361548 /nfs/dbraw/zinc/36/15/48/296361548.db2.gz GOLZBFHCEDNJQD-HHXXYDBFSA-N 1 3 316.493 2.714 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000422966369 296362042 /nfs/dbraw/zinc/36/20/42/296362042.db2.gz RETBRRYXPKTELM-APWZRJJASA-N 1 3 312.461 2.830 20 0 DFADHO COCCNc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422968871 296362758 /nfs/dbraw/zinc/36/27/58/296362758.db2.gz SJTFKWJWFFGYRQ-CEXWTWQISA-N 1 3 317.477 2.755 20 0 DFADHO c1ccc(CO[C@H]2CCC[C@@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422987352 296364161 /nfs/dbraw/zinc/36/41/61/296364161.db2.gz GAMMUHHDMSIUKR-VUXNLXKLSA-N 1 3 300.446 2.997 20 0 DFADHO CCC(CC)[C@H](CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)OC ZINC000423001098 296366021 /nfs/dbraw/zinc/36/60/21/296366021.db2.gz WMSHUIMKLQAWPA-TVFCKZIOSA-N 1 3 312.498 2.574 20 0 DFADHO Cc1cn2c(n1)[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])CCC2 ZINC000423005529 296366135 /nfs/dbraw/zinc/36/61/35/296366135.db2.gz MLMICPHZGXITIJ-NJAFHUGGSA-N 1 3 312.461 2.617 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCOc1ncccc1C(F)(F)F ZINC000422999207 296365447 /nfs/dbraw/zinc/36/54/47/296365447.db2.gz SCERGADLNOYYRE-DGCLKSJQSA-N 1 3 317.355 2.586 20 0 DFADHO Cc1cn2c(n1)[C@H](CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1)CCC2 ZINC000423004105 296366282 /nfs/dbraw/zinc/36/62/82/296366282.db2.gz JEHVFAFUEYILDE-XIRDDKMYSA-N 1 3 304.482 2.969 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(CCO)CCCCC1 ZINC000423006351 296366535 /nfs/dbraw/zinc/36/65/35/296366535.db2.gz OHXRWSYTHBHSAU-CQSZACIVSA-N 1 3 305.466 2.832 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000423017321 296368137 /nfs/dbraw/zinc/36/81/37/296368137.db2.gz OLRFADCABPRXNN-WQCNXYOZSA-N 1 3 302.462 2.623 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000423017320 296368204 /nfs/dbraw/zinc/36/82/04/296368204.db2.gz OLRFADCABPRXNN-OYSPMZIOSA-N 1 3 302.462 2.623 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](O)CCc1ccccc1 ZINC000423026453 296369203 /nfs/dbraw/zinc/36/92/03/296369203.db2.gz BGJODNKKMJOZTI-BHIYHBOVSA-N 1 3 304.478 2.881 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000423024039 296369279 /nfs/dbraw/zinc/36/92/79/296369279.db2.gz ILAHPLCZAKTPCX-ZFWWWQNUSA-N 1 3 312.841 2.897 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCCC[C@@H]2CN)cc1OC ZINC000423025856 296369289 /nfs/dbraw/zinc/36/92/89/296369289.db2.gz PGQADBQAQZYKMU-UAGQMJEPSA-N 1 3 320.477 2.990 20 0 DFADHO Cc1nn(C)c(C)c1CCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423018895 296368521 /nfs/dbraw/zinc/36/85/21/296368521.db2.gz SIGKPCJXSMMKMQ-PBHICJAKSA-N 1 3 306.498 2.870 20 0 DFADHO COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423020867 296368547 /nfs/dbraw/zinc/36/85/47/296368547.db2.gz DAESMXYVNOIMBQ-BZUAXINKSA-N 1 3 306.450 2.688 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)[C@@H]1CCCCN1 ZINC000423018346 296368636 /nfs/dbraw/zinc/36/86/36/296368636.db2.gz YOYLKJLXUOWGTK-ZOBUZTSGSA-N 1 3 305.441 2.915 20 0 DFADHO C[C@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CC[NH2+]C1 ZINC000423020668 296368680 /nfs/dbraw/zinc/36/86/80/296368680.db2.gz CNKPYQRBVZAKLQ-RWMBFGLXSA-N 1 3 311.832 2.645 20 0 DFADHO Cn1nc(CC[NH2+][C@@H]2C[C@H](N)c3ccccc32)c2ccccc21 ZINC000423048762 296371949 /nfs/dbraw/zinc/37/19/49/296371949.db2.gz IRXXZZTZAVGMFN-FUHWJXTLSA-N 1 3 306.413 2.850 20 0 DFADHO Cn1cc(CC[NH2+][C@@H]2CCCC[C@H]2CN)c2ccc(F)cc21 ZINC000423049323 296371955 /nfs/dbraw/zinc/37/19/55/296371955.db2.gz JOENLDBRTOVDOE-SUMWQHHRSA-N 1 3 303.425 2.967 20 0 DFADHO COc1ccc([C@@H](NCC2(N(C)C)CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423053870 296372313 /nfs/dbraw/zinc/37/23/13/296372313.db2.gz BEALIVQJIDJTHN-ZWKOTPCHSA-N 1 3 317.477 2.562 20 0 DFADHO C[C@@H](NC[C@]1(C)CCCN1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423067127 296374473 /nfs/dbraw/zinc/37/44/73/296374473.db2.gz YNKPJQDKDIJFAV-QRQLOZEOSA-N 1 3 301.478 2.771 20 0 DFADHO Cc1ccccc1[C@@H]([C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000423064658 296373773 /nfs/dbraw/zinc/37/37/73/296373773.db2.gz ZKEMFHJTAMWDQR-ASCQJNAESA-N 1 3 301.478 2.859 20 0 DFADHO Cn1c2ccc(Cl)cc2nc1CNC1CCC(C[NH3+])CC1 ZINC000423063906 296373825 /nfs/dbraw/zinc/37/38/25/296373825.db2.gz PWRCCHJEVZQACU-UHFFFAOYSA-N 1 3 306.841 2.834 20 0 DFADHO CCC(O)(CC)CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423074573 296375228 /nfs/dbraw/zinc/37/52/28/296375228.db2.gz UZYJSTNZRAYEON-LPHOPBHVSA-N 1 3 318.461 2.773 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423068849 296374650 /nfs/dbraw/zinc/37/46/50/296374650.db2.gz CXMQDGXRVNZOHJ-YPMHNXCESA-N 1 3 317.355 2.586 20 0 DFADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423071724 296374785 /nfs/dbraw/zinc/37/47/85/296374785.db2.gz IBZNYAUGQZAOOE-ZSYWTGECSA-N 1 3 320.452 2.630 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423080017 296376116 /nfs/dbraw/zinc/37/61/16/296376116.db2.gz ZDOFTFQUQLJUJT-DSLXNQLJSA-N 1 3 320.452 2.616 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423080017 296376117 /nfs/dbraw/zinc/37/61/17/296376117.db2.gz ZDOFTFQUQLJUJT-DSLXNQLJSA-N 1 3 320.452 2.616 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000423084523 296376206 /nfs/dbraw/zinc/37/62/06/296376206.db2.gz IFQXEHGVODQMHC-CGTJXYLNSA-N 1 3 303.494 2.655 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1N(C)CCCC1(C)C ZINC000423084523 296376207 /nfs/dbraw/zinc/37/62/07/296376207.db2.gz IFQXEHGVODQMHC-CGTJXYLNSA-N 1 3 303.494 2.655 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1ccc(-c2ccco2)cc1F ZINC000423082573 296376274 /nfs/dbraw/zinc/37/62/74/296376274.db2.gz DLUDTLSTOBFNEY-HNNXBMFYSA-N 1 3 306.381 2.929 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423084475 296376281 /nfs/dbraw/zinc/37/62/81/296376281.db2.gz IASBXGHJDLNTOA-WEOZKBJRSA-N 1 3 302.462 2.520 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCC1(CO)CC(c2ccccc2)C1 ZINC000423084475 296376282 /nfs/dbraw/zinc/37/62/82/296376282.db2.gz IASBXGHJDLNTOA-WEOZKBJRSA-N 1 3 302.462 2.520 20 0 DFADHO Cc1cccc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423087017 296376673 /nfs/dbraw/zinc/37/66/73/296376673.db2.gz OPJOTUMFVYVVPS-QUCCMNQESA-N 1 3 323.440 2.778 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423092043 296376963 /nfs/dbraw/zinc/37/69/63/296376963.db2.gz AGJPSZLQVHIASG-CNDNWHGTSA-N 1 3 306.425 2.804 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423088742 296377292 /nfs/dbraw/zinc/37/72/92/296377292.db2.gz SOLVLXHHACFRNJ-GALLPEHLSA-N 1 3 319.415 2.509 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423100293 296378203 /nfs/dbraw/zinc/37/82/03/296378203.db2.gz VBAUKSBFAGKZEZ-UWIRNFLKSA-N 1 3 310.388 2.553 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423100293 296378205 /nfs/dbraw/zinc/37/82/05/296378205.db2.gz VBAUKSBFAGKZEZ-UWIRNFLKSA-N 1 3 310.388 2.553 20 0 DFADHO C[C@@H]1CSC[C@@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423100893 296378373 /nfs/dbraw/zinc/37/83/73/296378373.db2.gz CCTFSVUYCNDVSW-DYWXZXKOSA-N 1 3 304.459 2.583 20 0 DFADHO Cc1ccccc1[C@H]1C[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423106354 296379081 /nfs/dbraw/zinc/37/90/81/296379081.db2.gz RKCMMFDBWDNLKX-YKXHTNLXSA-N 1 3 314.473 2.988 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000624121057 399560383 /nfs/dbraw/zinc/56/03/83/399560383.db2.gz MTGIQYVHBLWCGH-LSDHHAIUSA-N 1 3 315.461 2.954 20 0 DFADHO COc1ccc([C@H]2C[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1F ZINC000423106813 296378828 /nfs/dbraw/zinc/37/88/28/296378828.db2.gz DINOKVFJFFANSF-WSTAPGMRSA-N 1 3 304.409 2.953 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(-n2cncn2)cc1 ZINC000624120365 399560744 /nfs/dbraw/zinc/56/07/44/399560744.db2.gz XJSQJNSLRLFLSY-CVEARBPZSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423111357 296379592 /nfs/dbraw/zinc/37/95/92/296379592.db2.gz IXHZHEFQMJAKLG-IWEFOYFVSA-N 1 3 319.424 2.582 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCCc1c[nH]c2ccc(F)cc12 ZINC000423111357 296379594 /nfs/dbraw/zinc/37/95/94/296379594.db2.gz IXHZHEFQMJAKLG-IWEFOYFVSA-N 1 3 319.424 2.582 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121623 399561385 /nfs/dbraw/zinc/56/13/85/399561385.db2.gz ZCCQZLYNLLSNEA-DLBZAZTESA-N 1 3 317.477 2.750 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121623 399561390 /nfs/dbraw/zinc/56/13/90/399561390.db2.gz ZCCQZLYNLLSNEA-DLBZAZTESA-N 1 3 317.477 2.750 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121623 399561393 /nfs/dbraw/zinc/56/13/93/399561393.db2.gz ZCCQZLYNLLSNEA-DLBZAZTESA-N 1 3 317.477 2.750 20 0 DFADHO CC1(C)SC[C@@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423113965 296380088 /nfs/dbraw/zinc/38/00/88/296380088.db2.gz ZLUNVQIFUYMFAG-KMFMINBZSA-N 1 3 304.459 2.726 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccccc1-n1ccnn1 ZINC000624123412 399561890 /nfs/dbraw/zinc/56/18/90/399561890.db2.gz LNVFLHMMKDXCKJ-HZPDHXFCSA-N 1 3 313.449 2.650 20 0 DFADHO Cc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])cc(N2CCCC2)n1 ZINC000423122427 296381081 /nfs/dbraw/zinc/38/10/81/296381081.db2.gz KRZDCBZFBFFJMG-IRXDYDNUSA-N 1 3 302.466 2.597 20 0 DFADHO C[C@@H](NC1(Cc2ccccc2Br)CC1)C1C[NH2+]C1 ZINC000423121706 296381241 /nfs/dbraw/zinc/38/12/41/296381241.db2.gz BDCLWDXRYBCFSR-LLVKDONJSA-N 1 3 309.251 2.722 20 0 DFADHO C[C@@H]([NH2+]C1(Cc2ccccc2Br)CC1)C1CNC1 ZINC000423121706 296381244 /nfs/dbraw/zinc/38/12/44/296381244.db2.gz BDCLWDXRYBCFSR-LLVKDONJSA-N 1 3 309.251 2.722 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1cc2ccccc2s1 ZINC000423129880 296382162 /nfs/dbraw/zinc/38/21/62/296382162.db2.gz FXZULMGIYZNRSH-APHBMKBZSA-N 1 3 304.459 2.786 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423129880 296382163 /nfs/dbraw/zinc/38/21/63/296382163.db2.gz FXZULMGIYZNRSH-APHBMKBZSA-N 1 3 304.459 2.786 20 0 DFADHO c1ccc2c(c1)CC1(CCOCC1)[C@@H]2N[C@H]1CCC[NH2+]CC1 ZINC000423131139 296382313 /nfs/dbraw/zinc/38/23/13/296382313.db2.gz ZHDRYOGVASRLIP-FUHWJXTLSA-N 1 3 300.446 2.812 20 0 DFADHO C[C@H](N[C@@H]1c2ccccc2CC12CCOCC2)[C@@H]1CC[NH2+]C1 ZINC000423124790 296381725 /nfs/dbraw/zinc/38/17/25/296381725.db2.gz PCYHPKJOTNBJJK-YXJHDRRASA-N 1 3 300.446 2.668 20 0 DFADHO c1ccc([C@@H]2C[C@H]2CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423136958 296382951 /nfs/dbraw/zinc/38/29/51/296382951.db2.gz QESGSDPEBKQQPJ-NTZUZEMLSA-N 1 3 300.446 2.537 20 0 DFADHO c1ccc([C@@H]2C[C@H]2CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423136960 296383177 /nfs/dbraw/zinc/38/31/77/296383177.db2.gz QESGSDPEBKQQPJ-VPAKFMSCSA-N 1 3 300.446 2.537 20 0 DFADHO Cc1ccc(F)c(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000271162486 208676033 /nfs/dbraw/zinc/67/60/33/208676033.db2.gz LUHZMALKUBAGFQ-OAHLLOKOSA-N 1 3 308.441 2.659 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423140987 296383941 /nfs/dbraw/zinc/38/39/41/296383941.db2.gz NLBSPXATIPQEDZ-YQQAZPJKSA-N 1 3 305.441 2.759 20 0 DFADHO C[C@@H](NC[C@@H]1CCN(c2ccccc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000423141529 296383947 /nfs/dbraw/zinc/38/39/47/296383947.db2.gz QNDWSPFOMCIQQP-HLLBOEOZSA-N 1 3 305.441 2.772 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423142113 296383721 /nfs/dbraw/zinc/38/37/21/296383721.db2.gz UASNZPOQWPLOPB-HLLBOEOZSA-N 1 3 305.441 2.630 20 0 DFADHO CSc1ccc([C@H](CN[C@H]2CCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000423144014 296384395 /nfs/dbraw/zinc/38/43/95/296384395.db2.gz FXCGRYHEYWIXPB-XIRDDKMYSA-N 1 3 307.507 2.728 20 0 DFADHO CO[C@@H]([C@H](C)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423149424 296385377 /nfs/dbraw/zinc/38/53/77/296385377.db2.gz AOOFFUDFJRMNBK-FDARSICLSA-N 1 3 316.445 2.645 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](CO)c1ccc(F)cc1 ZINC000423177284 296388497 /nfs/dbraw/zinc/38/84/97/296388497.db2.gz GYQSNZMPYZLWES-QGPMSJSTSA-N 1 3 308.441 2.802 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](CO)c1ccc(F)cc1 ZINC000423177285 296388605 /nfs/dbraw/zinc/38/86/05/296388605.db2.gz GYQSNZMPYZLWES-UWWQBHOKSA-N 1 3 308.441 2.802 20 0 DFADHO Cc1c2ccccc2oc1[C@H](C)NCCCN1CC[NH2+]CC1 ZINC000423184974 296389719 /nfs/dbraw/zinc/38/97/19/296389719.db2.gz UHZUASYMPDZWGM-HNNXBMFYSA-N 1 3 301.434 2.687 20 0 DFADHO C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1CCCNCC1 ZINC000423191393 296390510 /nfs/dbraw/zinc/39/05/10/296390510.db2.gz STJFERNWGPXSFF-BBRMVZONSA-N 1 3 303.425 2.980 20 0 DFADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423200129 296391837 /nfs/dbraw/zinc/39/18/37/296391837.db2.gz DKFDTPPVVPPLMT-LLVKDONJSA-N 1 3 302.249 2.549 20 0 DFADHO C[C@@H]([NH2+]CC1(N)CCCCCC1)c1ccc(-n2cncn2)cc1 ZINC000423204561 296392152 /nfs/dbraw/zinc/39/21/52/296392152.db2.gz USTNNGVVWOBYSJ-OAHLLOKOSA-N 1 3 313.449 2.970 20 0 DFADHO Cc1nn(C)c2sc([C@H](C)N[C@@H](C)[C@H]3CCC[NH2+]C3)cc12 ZINC000423211434 296392797 /nfs/dbraw/zinc/39/27/97/296392797.db2.gz HJUFGJJMVFORAP-DRZSPHRISA-N 1 3 306.479 2.982 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@H](C)[C@H]2CCCNC2)cc1OC ZINC000423205194 296392130 /nfs/dbraw/zinc/39/21/30/296392130.db2.gz BCUDXUILJVBNGU-XHSDSOJGSA-N 1 3 320.477 2.921 20 0 DFADHO COc1cc(C)c(C[C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000423205194 296392131 /nfs/dbraw/zinc/39/21/31/296392131.db2.gz BCUDXUILJVBNGU-XHSDSOJGSA-N 1 3 320.477 2.921 20 0 DFADHO Brc1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCCNC1)C2 ZINC000423217124 296393502 /nfs/dbraw/zinc/39/35/02/296393502.db2.gz SXYADIUNRLGPPD-WBMJQRKESA-N 1 3 323.278 2.896 20 0 DFADHO C[C@H]1CC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CN1 ZINC000629395733 399593056 /nfs/dbraw/zinc/59/30/56/399593056.db2.gz QLPXMIJYFHFRSH-KXBFYZLASA-N 1 3 319.468 2.563 20 0 DFADHO Cc1c([C@H](C)NCC[C@H]2CCC[NH2+]C2)nnn1-c1ccccc1 ZINC000423264767 296398469 /nfs/dbraw/zinc/39/84/69/296398469.db2.gz YYVGLWYKDNPTGV-GOEBONIOSA-N 1 3 313.449 2.616 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@@H]1CCc2cc(Br)ccc2C1 ZINC000423270708 296399184 /nfs/dbraw/zinc/39/91/84/296399184.db2.gz IDHYYVFDQPDMEE-XHDPSFHLSA-N 1 3 311.267 2.752 20 0 DFADHO CNC[C@H](C)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423270708 296399185 /nfs/dbraw/zinc/39/91/85/296399185.db2.gz IDHYYVFDQPDMEE-XHDPSFHLSA-N 1 3 311.267 2.752 20 0 DFADHO C[C@@H](CCC1CCCCC1)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629406488 399594908 /nfs/dbraw/zinc/59/49/08/399594908.db2.gz WQTMOKNGDOXCGL-YOEHRIQHSA-N 1 3 305.470 2.651 20 0 DFADHO COc1cc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1OC ZINC000423274221 296399490 /nfs/dbraw/zinc/39/94/90/296399490.db2.gz LRRIEKKQKQJCPQ-GZBFAFLISA-N 1 3 322.449 2.881 20 0 DFADHO CC(=O)NCCc1ccc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423265141 296398519 /nfs/dbraw/zinc/39/85/19/296398519.db2.gz AUNVJQSTGNFMAV-JVPBZIDWSA-N 1 3 317.477 2.533 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@H]2CN)cc1OC ZINC000423278314 296400121 /nfs/dbraw/zinc/40/01/21/296400121.db2.gz QPFVKWYJZFQENV-VRKREXBASA-N 1 3 306.450 2.913 20 0 DFADHO CCc1ccc(CN2CCC(OCC[NH+](CC)CC)CC2)cn1 ZINC000347849901 285206602 /nfs/dbraw/zinc/20/66/02/285206602.db2.gz KDFLEVJCPFROGI-UHFFFAOYSA-N 1 3 319.493 2.967 20 0 DFADHO Cc1c([C@@H](C)NCC2(C)CC[NH2+]CC2)nnn1-c1ccccc1 ZINC000423328236 296404761 /nfs/dbraw/zinc/40/47/61/296404761.db2.gz LWTXFCKSDXUFQY-CQSZACIVSA-N 1 3 313.449 2.616 20 0 DFADHO OC(CN1CCC[C@@H](C2CC2)C1)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344052858 285231460 /nfs/dbraw/zinc/23/14/60/285231460.db2.gz INCLPPQNQYUYRX-QZTJIDSGSA-N 1 3 306.494 2.591 20 0 DFADHO OC(CN1CCC[C@@H](C2CC2)C1)C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344052858 285231463 /nfs/dbraw/zinc/23/14/63/285231463.db2.gz INCLPPQNQYUYRX-QZTJIDSGSA-N 1 3 306.494 2.591 20 0 DFADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423384341 296410859 /nfs/dbraw/zinc/41/08/59/296410859.db2.gz KYODCTODYIKHLR-JDFRZJQESA-N 1 3 316.449 2.891 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000347905047 285235081 /nfs/dbraw/zinc/23/50/81/285235081.db2.gz YQZBHOSWGGOLCU-KRWDZBQOSA-N 1 3 309.498 2.584 20 0 DFADHO CC(C)C[C@@H](C)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000347905930 285235637 /nfs/dbraw/zinc/23/56/37/285235637.db2.gz IPZLHNWGQIISOZ-GOSISDBHSA-N 1 3 318.509 2.866 20 0 DFADHO OC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCCCC1 ZINC000298394738 285239213 /nfs/dbraw/zinc/23/92/13/285239213.db2.gz LOPPDEQNWGANPH-UHFFFAOYSA-N 1 3 303.450 2.725 20 0 DFADHO COCC1(CN[C@H]2CCc3c2c(F)ccc3F)CC[NH2+]CC1 ZINC000423413170 296414614 /nfs/dbraw/zinc/41/46/14/296414614.db2.gz YLOHBFPNSYFAKH-HNNXBMFYSA-N 1 3 310.388 2.558 20 0 DFADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423413899 296414619 /nfs/dbraw/zinc/41/46/19/296414619.db2.gz BFJWZKXRAABQHE-MUIFIZLQSA-N 1 3 308.853 2.536 20 0 DFADHO CCCC[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C1CCC1 ZINC000347918894 285245126 /nfs/dbraw/zinc/24/51/26/285245126.db2.gz JELCHIIPOFARGF-SFHVURJKSA-N 1 3 321.509 2.678 20 0 DFADHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cs1 ZINC000449036596 297395220 /nfs/dbraw/zinc/39/52/20/297395220.db2.gz KOLJRMBETLQFMY-YOEHRIQHSA-N 1 3 307.507 2.514 20 0 DFADHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cs1 ZINC000449036596 297395222 /nfs/dbraw/zinc/39/52/22/297395222.db2.gz KOLJRMBETLQFMY-YOEHRIQHSA-N 1 3 307.507 2.514 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000423448655 296417653 /nfs/dbraw/zinc/41/76/53/296417653.db2.gz VGYZPPURGJFAEO-ROUUACIJSA-N 1 3 321.509 2.619 20 0 DFADHO Cc1c([C@H](C)N[C@@H](C)CCC[NH3+])nnn1-c1ccc(C)cc1 ZINC000423454845 296417934 /nfs/dbraw/zinc/41/79/34/296417934.db2.gz MBORBHNJVJVKLZ-KBPBESRZSA-N 1 3 301.438 2.662 20 0 DFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCNC2CC2)cc1OC ZINC000423542437 296428034 /nfs/dbraw/zinc/42/80/34/296428034.db2.gz BAERVWJUHASBNE-ZIAGYGMSSA-N 1 3 306.450 2.928 20 0 DFADHO C[C@H](NCc1ccc[nH]c1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000624257717 399618015 /nfs/dbraw/zinc/61/80/15/399618015.db2.gz NWKHUGGNRNOALH-AWEZNQCLSA-N 1 3 315.417 2.578 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccnc1Cl ZINC000289519412 221037444 /nfs/dbraw/zinc/03/74/44/221037444.db2.gz VEIKJHWFSIHLNP-INIZCTEOSA-N 1 3 324.900 2.583 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccnc1Cl ZINC000289519412 221037446 /nfs/dbraw/zinc/03/74/46/221037446.db2.gz VEIKJHWFSIHLNP-INIZCTEOSA-N 1 3 324.900 2.583 20 0 DFADHO Cc1cn[nH]c1CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000289586473 221086212 /nfs/dbraw/zinc/08/62/12/221086212.db2.gz SYGSFJVFIBMXCP-HZPDHXFCSA-N 1 3 312.461 2.964 20 0 DFADHO CC(C)[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000625762359 399634067 /nfs/dbraw/zinc/63/40/67/399634067.db2.gz UZMCWRKQAZVFSV-PMACEKPBSA-N 1 3 315.505 2.923 20 0 DFADHO CC(C)[C@@H]1CN(C[C@@H]2CCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000625762359 399634071 /nfs/dbraw/zinc/63/40/71/399634071.db2.gz UZMCWRKQAZVFSV-PMACEKPBSA-N 1 3 315.505 2.923 20 0 DFADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccccc1C(F)(F)F ZINC000629524346 399635007 /nfs/dbraw/zinc/63/50/07/399635007.db2.gz OYNNYZNNRJBRLS-NSHDSACASA-N 1 3 302.340 2.864 20 0 DFADHO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC1(N)CCOCC1 ZINC000629523436 399635137 /nfs/dbraw/zinc/63/51/37/399635137.db2.gz GLXKMPXRKSENFZ-MRXNPFEDSA-N 1 3 304.434 2.515 20 0 DFADHO C[NH2+]CCOCCN[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000629529166 399636947 /nfs/dbraw/zinc/63/69/47/399636947.db2.gz UCVMVOUMKXXFMH-JTQLQIEISA-N 1 3 322.783 2.828 20 0 DFADHO C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000294946825 224330719 /nfs/dbraw/zinc/33/07/19/224330719.db2.gz FEHNVBDVAYPTKQ-BPQIPLTHSA-N 1 3 304.503 2.892 20 0 DFADHO C[C@@H](NCCOCCC[NH3+])c1ccc(F)c(Br)c1 ZINC000629534963 399639067 /nfs/dbraw/zinc/63/90/67/399639067.db2.gz CBNPSERJXBZORA-SNVBAGLBSA-N 1 3 319.218 2.604 20 0 DFADHO C[C@@H]1CC[C@H](N[C@H]2CCCN(Cc3ccccc3)[C@@H]2C)C[NH2+]1 ZINC000629538422 399640105 /nfs/dbraw/zinc/64/01/05/399640105.db2.gz JOLSHYUCANASRN-FPAYPSAMSA-N 1 3 301.478 2.770 20 0 DFADHO C[C@H](NCCOCCC[NH3+])c1ccc(Br)cc1F ZINC000629540582 399640469 /nfs/dbraw/zinc/64/04/69/399640469.db2.gz WLFCHNKSUCLIMV-JTQLQIEISA-N 1 3 319.218 2.604 20 0 DFADHO C[C@@H](NCCOCCC[NH3+])c1cc(Cl)ccc1OC(F)F ZINC000629537785 399640005 /nfs/dbraw/zinc/64/00/05/399640005.db2.gz KWCYLIMBRQZYBR-SNVBAGLBSA-N 1 3 322.783 2.957 20 0 DFADHO [NH3+]CCCOCCN[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000629541963 399641411 /nfs/dbraw/zinc/64/14/11/399641411.db2.gz VDDNWQONUSZRST-CYBMUJFWSA-N 1 3 303.233 2.936 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294948148 224332289 /nfs/dbraw/zinc/33/22/89/224332289.db2.gz HKZXDUISNHEZTP-DUZACMNTSA-N 1 3 315.461 2.643 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294948148 224332290 /nfs/dbraw/zinc/33/22/90/224332290.db2.gz HKZXDUISNHEZTP-DUZACMNTSA-N 1 3 315.461 2.643 20 0 DFADHO C[C@H](NCCOCCC[NH3+])c1cc(Br)cs1 ZINC000629541401 399641443 /nfs/dbraw/zinc/64/14/43/399641443.db2.gz ZQCNSNPBCJMZHV-VIFPVBQESA-N 1 3 307.257 2.527 20 0 DFADHO O[C@H](CN[C@@H]1CC[C@@H](c2cccc(F)c2)C1)C[NH+]1CCCC1 ZINC000629578931 399653584 /nfs/dbraw/zinc/65/35/84/399653584.db2.gz NUELLEBABQKYQU-KBAYOESNSA-N 1 3 306.425 2.508 20 0 DFADHO CSc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000629590108 399657179 /nfs/dbraw/zinc/65/71/79/399657179.db2.gz LYNGWFCMNPEBOA-KRWDZBQOSA-N 1 3 320.502 2.999 20 0 DFADHO O[C@@H](CNCC1(c2ccc(Cl)cc2)CCC1)C[NH+]1CCCC1 ZINC000629558590 399647452 /nfs/dbraw/zinc/64/74/52/399647452.db2.gz DBAVDSNRCINGFG-KRWDZBQOSA-N 1 3 322.880 2.808 20 0 DFADHO Cc1cc(CN(C)CCOCC[NH3+])ccc1Oc1cccnc1 ZINC000629664126 399681970 /nfs/dbraw/zinc/68/19/70/399681970.db2.gz OQJSIRRMJIODJQ-UHFFFAOYSA-N 1 3 315.417 2.589 20 0 DFADHO COc1ccc(C[C@@H](C)CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1F ZINC000629669890 399684076 /nfs/dbraw/zinc/68/40/76/399684076.db2.gz YVHCFIHYXVDAEG-ZMYBRWDISA-N 1 3 320.452 2.944 20 0 DFADHO C[NH2+]CCOc1ccc(-c2cccc(OCCN(C)C)c2)cc1 ZINC000629700815 399694195 /nfs/dbraw/zinc/69/41/95/399694195.db2.gz OYVDYWQAFLNXSP-UHFFFAOYSA-N 1 3 314.429 2.892 20 0 DFADHO [NH3+]CCCn1cc(-c2cc(CN3CCCC3)ccc2F)cn1 ZINC000629702277 399694753 /nfs/dbraw/zinc/69/47/53/399694753.db2.gz JGJFPLOIMOMDLE-UHFFFAOYSA-N 1 3 302.397 2.634 20 0 DFADHO C[C@@H](CNCC1([NH3+])CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000629653471 399676209 /nfs/dbraw/zinc/67/62/09/399676209.db2.gz ICRMMSOWICTAHB-LBPRGKRZSA-N 1 3 316.367 2.906 20 0 DFADHO C[C@@H]([NH3+])Cc1cccc(-c2ccccc2CN2CCN(C)CC2)c1 ZINC000629735118 399707460 /nfs/dbraw/zinc/70/74/60/399707460.db2.gz ITPWYSNDMKRIIU-QGZVFWFLSA-N 1 3 323.484 2.991 20 0 DFADHO CN(C)Cc1ccc(F)c(-c2ccc(C[C@@H](C[NH3+])CO)cc2)c1 ZINC000629736426 399709013 /nfs/dbraw/zinc/70/90/13/399709013.db2.gz GKZLACXJYOIWNP-INIZCTEOSA-N 1 3 316.420 2.664 20 0 DFADHO CC1=C(C)C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000617502443 399719313 /nfs/dbraw/zinc/71/93/13/399719313.db2.gz PHVQFOILNQYIJL-DLBZAZTESA-N 1 3 309.498 2.511 20 0 DFADHO CC1=C(C)C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000617502443 399719317 /nfs/dbraw/zinc/71/93/17/399719317.db2.gz PHVQFOILNQYIJL-DLBZAZTESA-N 1 3 309.498 2.511 20 0 DFADHO C[C@H]([NH3+])CC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423757449 296444023 /nfs/dbraw/zinc/44/40/23/296444023.db2.gz MJOMLAMLPOSCQT-AWEZNQCLSA-N 1 3 323.868 2.502 20 0 DFADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123532010 195592759 /nfs/dbraw/zinc/59/27/59/195592759.db2.gz VSFMWFZQUKTPTC-CALCHBBNSA-N 1 3 323.525 2.830 20 0 DFADHO CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1CCCO1 ZINC000128121435 542617047 /nfs/dbraw/zinc/61/70/47/542617047.db2.gz ALWUPEKOQPYJMA-IBGZPJMESA-N 1 3 318.461 2.772 20 0 DFADHO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cccc(OCCN(C)C)c1 ZINC000131938408 542640041 /nfs/dbraw/zinc/64/00/41/542640041.db2.gz QTYRFWDDKYQKDM-NVXWUHKLSA-N 1 3 306.450 2.847 20 0 DFADHO C[C@H](CC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)N1CCCCC1 ZINC000348362446 285510985 /nfs/dbraw/zinc/51/09/85/285510985.db2.gz AFADGZYMDYXKIV-RDBSUJKOSA-N 1 3 308.388 2.950 20 0 DFADHO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166228882 542750303 /nfs/dbraw/zinc/75/03/03/542750303.db2.gz SYAQSHDEZHVDPJ-QZTJIDSGSA-N 1 3 321.509 2.630 20 0 DFADHO CCC(CC)C(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166228882 542750308 /nfs/dbraw/zinc/75/03/08/542750308.db2.gz SYAQSHDEZHVDPJ-QZTJIDSGSA-N 1 3 321.509 2.630 20 0 DFADHO CCC(CC)C(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166228882 542750312 /nfs/dbraw/zinc/75/03/12/542750312.db2.gz SYAQSHDEZHVDPJ-QZTJIDSGSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[NH2+]CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000167541491 542753582 /nfs/dbraw/zinc/75/35/82/542753582.db2.gz LWFQCDFMOTZHNJ-WMZOPIPTSA-N 1 3 317.477 2.544 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000208290322 542868995 /nfs/dbraw/zinc/86/89/95/542868995.db2.gz AXDPKQKHYLQTAV-ZCNNSNEGSA-N 1 3 310.441 2.754 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000208290322 542868998 /nfs/dbraw/zinc/86/89/98/542868998.db2.gz AXDPKQKHYLQTAV-ZCNNSNEGSA-N 1 3 310.441 2.754 20 0 DFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H]1c1ccccc1 ZINC000208290322 542869000 /nfs/dbraw/zinc/86/90/00/542869000.db2.gz AXDPKQKHYLQTAV-ZCNNSNEGSA-N 1 3 310.441 2.754 20 0 DFADHO CC(C)C[C@@H](N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000236709445 542896340 /nfs/dbraw/zinc/89/63/40/542896340.db2.gz JEWATVPWAORYEB-MRXNPFEDSA-N 1 3 309.498 2.665 20 0 DFADHO CC1CCN([C@@H](CNC(=O)CC(C)(C)[NH3+])c2ccccc2)CC1 ZINC000236720176 542896933 /nfs/dbraw/zinc/89/69/33/542896933.db2.gz MSPYGMDWCIAJTJ-KRWDZBQOSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H](CC(=O)N(CCN(C)C)c1ccccc1)C1CC[NH2+]CC1 ZINC000237308484 542901964 /nfs/dbraw/zinc/90/19/64/542901964.db2.gz NAVRJVXMCLNTDY-INIZCTEOSA-N 1 3 317.477 2.607 20 0 DFADHO Cc1ncc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)s1 ZINC000245573488 542916051 /nfs/dbraw/zinc/91/60/51/542916051.db2.gz CYYUKFPANFZEOF-IHRRRGAJSA-N 1 3 311.495 2.992 20 0 DFADHO COC1CC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000309888649 543067039 /nfs/dbraw/zinc/06/70/39/543067039.db2.gz CTKWEANBLXCBBF-DYKAAJRGSA-N 1 3 300.446 2.664 20 0 DFADHO c1ccc(CN2CCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339069646 543139572 /nfs/dbraw/zinc/13/95/72/543139572.db2.gz YUTWNLHHIUMKSL-SLFFLAALSA-N 1 3 313.489 2.867 20 0 DFADHO c1ccc(CN2CCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069646 543139575 /nfs/dbraw/zinc/13/95/75/543139575.db2.gz YUTWNLHHIUMKSL-SLFFLAALSA-N 1 3 313.489 2.867 20 0 DFADHO CN(C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000339070218 543139717 /nfs/dbraw/zinc/13/97/17/543139717.db2.gz ZNXRIXXTNGPFSW-OKZBNKHCSA-N 1 3 305.441 2.645 20 0 DFADHO CN(C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000339070218 543139719 /nfs/dbraw/zinc/13/97/19/543139719.db2.gz ZNXRIXXTNGPFSW-OKZBNKHCSA-N 1 3 305.441 2.645 20 0 DFADHO CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339068976 543140090 /nfs/dbraw/zinc/14/00/90/543140090.db2.gz SYAQSHDEZHVDPJ-ROUUACIJSA-N 1 3 321.509 2.630 20 0 DFADHO CCC(CC)C(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339068976 543140093 /nfs/dbraw/zinc/14/00/93/543140093.db2.gz SYAQSHDEZHVDPJ-ROUUACIJSA-N 1 3 321.509 2.630 20 0 DFADHO CCC(CC)C(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339068976 543140096 /nfs/dbraw/zinc/14/00/96/543140096.db2.gz SYAQSHDEZHVDPJ-ROUUACIJSA-N 1 3 321.509 2.630 20 0 DFADHO Fc1ccc(N2CC[C@H](CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000339073797 543140750 /nfs/dbraw/zinc/14/07/50/543140750.db2.gz FHLCNCKSJPJQCC-AYBZRNKSSA-N 1 3 317.452 2.868 20 0 DFADHO Fc1ccc(N2CC[C@H](CN[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000339073797 543140752 /nfs/dbraw/zinc/14/07/52/543140752.db2.gz FHLCNCKSJPJQCC-AYBZRNKSSA-N 1 3 317.452 2.868 20 0 DFADHO Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CCN4CCC[C@H]4C3)C2)cc1 ZINC000339073797 543140755 /nfs/dbraw/zinc/14/07/55/543140755.db2.gz FHLCNCKSJPJQCC-AYBZRNKSSA-N 1 3 317.452 2.868 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CCOCC1 ZINC000165347139 145229194 /nfs/dbraw/zinc/22/91/94/145229194.db2.gz JCAVKIUHBRDUSB-HKUYNNGSSA-N 1 3 316.489 2.956 20 0 DFADHO COC[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000165348960 145229373 /nfs/dbraw/zinc/22/93/73/145229373.db2.gz RATNOQAJSFUNSQ-IEBWSBKVSA-N 1 3 302.462 2.566 20 0 DFADHO CC(C)[C@@H](O)CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000165358712 145229912 /nfs/dbraw/zinc/22/99/12/145229912.db2.gz YONPGNAWZPVPAT-YJBOKZPZSA-N 1 3 308.466 2.685 20 0 DFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000167793505 145242476 /nfs/dbraw/zinc/24/24/76/145242476.db2.gz USQZXMHOOHHBNZ-RHSMWYFYSA-N 1 3 317.477 2.702 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414928504 543327694 /nfs/dbraw/zinc/32/76/94/543327694.db2.gz QDBNIBACVGFNDZ-BPUTZDHNSA-N 1 3 303.450 2.826 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414928504 543327697 /nfs/dbraw/zinc/32/76/97/543327697.db2.gz QDBNIBACVGFNDZ-BPUTZDHNSA-N 1 3 303.450 2.826 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000414907702 543327712 /nfs/dbraw/zinc/32/77/12/543327712.db2.gz AVEOUCSUZHJFGD-NUJGCVRESA-N 1 3 304.434 2.604 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414928532 543327734 /nfs/dbraw/zinc/32/77/34/543327734.db2.gz QDPWYQYDKRJBGP-ARFHVFGLSA-N 1 3 306.450 2.884 20 0 DFADHO C[C@H]([NH3+])CCNCc1ccc(Br)c2cccnc12 ZINC000414821466 543327883 /nfs/dbraw/zinc/32/78/83/543327883.db2.gz LHMYGFGPXWAACJ-JTQLQIEISA-N 1 3 308.223 2.824 20 0 DFADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000415025128 543328409 /nfs/dbraw/zinc/32/84/09/543328409.db2.gz ZPKQZVWRQWLKAP-UWVGGRQHSA-N 1 3 308.223 2.823 20 0 DFADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000415025133 543328458 /nfs/dbraw/zinc/32/84/58/543328458.db2.gz ZPKQZVWRQWLKAP-ZJUUUORDSA-N 1 3 308.223 2.823 20 0 DFADHO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[C@H](N(C)C)C2)o1 ZINC000175008539 145396074 /nfs/dbraw/zinc/39/60/74/145396074.db2.gz LPGSMGLMAPJEMN-GJZGRUSLSA-N 1 3 302.422 2.941 20 0 DFADHO Cc1cc(NC2CC[NH2+]CC2)c2cc(OC(F)F)ccc2n1 ZINC000630550254 399901953 /nfs/dbraw/zinc/90/19/53/399901953.db2.gz XVFGIMUNRBWXQU-UHFFFAOYSA-N 1 3 307.344 2.730 20 0 DFADHO CC1CC[NH+](CCCCNCc2c3c(nn2C)CCCC3)CC1 ZINC000631041765 399967786 /nfs/dbraw/zinc/96/77/86/399967786.db2.gz AWQZHMVKWHIUHR-UHFFFAOYSA-N 1 3 318.509 2.901 20 0 DFADHO CN1CCC(O)(C[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631077600 399975868 /nfs/dbraw/zinc/97/58/68/399975868.db2.gz JTBYXYKRPUWKNO-UHFFFAOYSA-N 1 3 302.393 2.525 20 0 DFADHO COCCc1ncc(CNCC2CC[NH+](CC3CC3)CC2)s1 ZINC000631178075 399997091 /nfs/dbraw/zinc/99/70/91/399997091.db2.gz HVGWDZXPPSKTPV-UHFFFAOYSA-N 1 3 323.506 2.544 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)Nc2ccc(C)cc2CN(C)C)CC[N@@H+]1C ZINC000631296601 400019959 /nfs/dbraw/zinc/01/99/59/400019959.db2.gz IXCGUGZNEBWLDO-DOTOQJQBSA-N 1 3 303.450 2.725 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)Nc2ccc(C)cc2CN(C)C)CC[N@H+]1C ZINC000631296601 400019961 /nfs/dbraw/zinc/01/99/61/400019961.db2.gz IXCGUGZNEBWLDO-DOTOQJQBSA-N 1 3 303.450 2.725 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C1CC(F)(F)C1 ZINC000628337280 400022378 /nfs/dbraw/zinc/02/23/78/400022378.db2.gz ATDISPLRWPCRPV-SUMWQHHRSA-N 1 3 324.415 2.777 20 0 DFADHO Cc1cccc2c1C[C@H]([NH2+]C1CCN(c3ccncc3)CC1)CO2 ZINC000628403718 400030546 /nfs/dbraw/zinc/03/05/46/400030546.db2.gz LUIMZHZKLGYDBR-KRWDZBQOSA-N 1 3 323.440 2.952 20 0 DFADHO COCCC[NH+]1CCC(N[C@H]2CCc3cc(OC)ccc32)CC1 ZINC000631575088 400053429 /nfs/dbraw/zinc/05/34/29/400053429.db2.gz QIPTXPGOSOYTHQ-IBGZPJMESA-N 1 3 318.461 2.773 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H]1CCc2cc(OC)ccc21 ZINC000631616426 400058552 /nfs/dbraw/zinc/05/85/52/400058552.db2.gz HNLHVARMKVNNCH-GOSISDBHSA-N 1 3 306.450 2.631 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000631663344 400063684 /nfs/dbraw/zinc/06/36/84/400063684.db2.gz IOHFEHWIGLHPPR-YQVWRLOYSA-N 1 3 312.461 2.629 20 0 DFADHO C[C@H](Cn1cccn1)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631663344 400063686 /nfs/dbraw/zinc/06/36/86/400063686.db2.gz IOHFEHWIGLHPPR-YQVWRLOYSA-N 1 3 312.461 2.629 20 0 DFADHO C[C@H](Cn1cccn1)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631663344 400063688 /nfs/dbraw/zinc/06/36/88/400063688.db2.gz IOHFEHWIGLHPPR-YQVWRLOYSA-N 1 3 312.461 2.629 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCCC[C@@H](N)C1 ZINC000631833956 400078611 /nfs/dbraw/zinc/07/86/11/400078611.db2.gz MHQAGBOKAYQEFV-CQSZACIVSA-N 1 3 307.413 2.666 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCCC[C@@H](N)C1 ZINC000631833956 400078612 /nfs/dbraw/zinc/07/86/12/400078612.db2.gz MHQAGBOKAYQEFV-CQSZACIVSA-N 1 3 307.413 2.666 20 0 DFADHO COC(=O)[C@H](CCN1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000425409341 296578262 /nfs/dbraw/zinc/57/82/62/296578262.db2.gz UXRPSBYQUIFMMU-GOSISDBHSA-N 1 3 318.461 2.607 20 0 DFADHO CCCC[C@@H](N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000236748497 146026230 /nfs/dbraw/zinc/02/62/30/146026230.db2.gz RRXKFJYCNRIYSC-DOTOQJQBSA-N 1 3 305.466 2.531 20 0 DFADHO CCCC[C@@H](N)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236748497 146026233 /nfs/dbraw/zinc/02/62/33/146026233.db2.gz RRXKFJYCNRIYSC-DOTOQJQBSA-N 1 3 305.466 2.531 20 0 DFADHO CCCC[C@@H](N)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000236770418 146026319 /nfs/dbraw/zinc/02/63/19/146026319.db2.gz PTDKKBXFXMRWIR-QGZVFWFLSA-N 1 3 305.466 2.662 20 0 DFADHO CCCC[C@@H](N)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000236774208 146027147 /nfs/dbraw/zinc/02/71/47/146027147.db2.gz JBJYWNYTZBZFRY-QGZVFWFLSA-N 1 3 305.466 2.661 20 0 DFADHO CCCC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236774208 146027151 /nfs/dbraw/zinc/02/71/51/146027151.db2.gz JBJYWNYTZBZFRY-QGZVFWFLSA-N 1 3 305.466 2.661 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000449157845 543362305 /nfs/dbraw/zinc/36/23/05/543362305.db2.gz WNIBAIUSJMGNLU-OBZTUIKSSA-N 1 3 314.473 2.992 20 0 DFADHO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1CCCCCC1 ZINC000246097249 146120425 /nfs/dbraw/zinc/12/04/25/146120425.db2.gz AWPIJLDLTXAIJP-MSOLQXFVSA-N 1 3 323.525 2.879 20 0 DFADHO C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1CCCCCC1 ZINC000246097249 146120426 /nfs/dbraw/zinc/12/04/26/146120426.db2.gz AWPIJLDLTXAIJP-MSOLQXFVSA-N 1 3 323.525 2.879 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CC[C@H]2CCOC2=O)CC1 ZINC000246116850 146121221 /nfs/dbraw/zinc/12/12/21/146121221.db2.gz YDTPKDKEJARDJA-WMZOPIPTSA-N 1 3 322.493 2.916 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CC[C@H]2CCOC2=O)CC1 ZINC000246116850 146121222 /nfs/dbraw/zinc/12/12/22/146121222.db2.gz YDTPKDKEJARDJA-WMZOPIPTSA-N 1 3 322.493 2.916 20 0 DFADHO CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000261539648 146237711 /nfs/dbraw/zinc/23/77/11/146237711.db2.gz CXLNSPIIDSMLBU-MOPGFXCFSA-N 1 3 301.478 2.582 20 0 DFADHO C[C@]1(C[NH3+])CCN(CCC(=O)Nc2cccc3ccccc32)C1 ZINC000261632537 146251468 /nfs/dbraw/zinc/25/14/68/146251468.db2.gz FMQZLYXGTGTTMO-LJQANCHMSA-N 1 3 311.429 2.839 20 0 DFADHO C[C@]1(CN)CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000261632537 146251469 /nfs/dbraw/zinc/25/14/69/146251469.db2.gz FMQZLYXGTGTTMO-LJQANCHMSA-N 1 3 311.429 2.839 20 0 DFADHO C[C@]1(CN)CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000261632537 146251470 /nfs/dbraw/zinc/25/14/70/146251470.db2.gz FMQZLYXGTGTTMO-LJQANCHMSA-N 1 3 311.429 2.839 20 0 DFADHO Cc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000261656335 146254807 /nfs/dbraw/zinc/25/48/07/146254807.db2.gz BITWOPBOXHSSNH-CGTJXYLNSA-N 1 3 310.445 2.565 20 0 DFADHO CCN(Cc1ccc(-c2nc(C[C@H](C)[NH2+]C)no2)cc1)C1CC1 ZINC000261703408 146262612 /nfs/dbraw/zinc/26/26/12/146262612.db2.gz IENKJALTSZHXTM-ZDUSSCGKSA-N 1 3 314.433 2.871 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(c2ccccn2)CC1 ZINC000261762158 146271707 /nfs/dbraw/zinc/27/17/07/146271707.db2.gz PYSXJHMAAWRXNF-SJLPKXTDSA-N 1 3 316.493 2.951 20 0 DFADHO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)[C@H](C)CN1Cc1ccccc1 ZINC000261774093 146274888 /nfs/dbraw/zinc/27/48/88/146274888.db2.gz DYQJCQXKAMGNDV-ZHALLVOQSA-N 1 3 301.478 2.581 20 0 DFADHO Cc1ccc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261811307 146280620 /nfs/dbraw/zinc/28/06/20/146280620.db2.gz HQJODULEHMZSCD-JKSUJKDBSA-N 1 3 312.461 2.955 20 0 DFADHO Cc1nc2ccccn2c1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261876066 146293197 /nfs/dbraw/zinc/29/31/97/146293197.db2.gz XXSWJOSMFSUGCA-MSOLQXFVSA-N 1 3 320.440 2.817 20 0 DFADHO C[NH2+]CC1CCN(Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000261919412 146301463 /nfs/dbraw/zinc/30/14/63/146301463.db2.gz HNGBIPPDPXATIY-UHFFFAOYSA-N 1 3 314.376 2.728 20 0 DFADHO Cc1cccc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c1C ZINC000261949541 146308334 /nfs/dbraw/zinc/30/83/34/146308334.db2.gz MSCQTCADJDIOSD-SFHVURJKSA-N 1 3 301.478 2.815 20 0 DFADHO c1nc([C@@H]2CCCO2)sc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000262076728 146330975 /nfs/dbraw/zinc/33/09/75/146330975.db2.gz SOWGSNBIROSPHG-AWEZNQCLSA-N 1 3 307.463 2.570 20 0 DFADHO CCOc1ccc(OCCN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000262111156 146334025 /nfs/dbraw/zinc/33/40/25/146334025.db2.gz JUOYKGRNPJGUPN-QGTPRVQTSA-N 1 3 304.434 2.523 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262314887 146350368 /nfs/dbraw/zinc/35/03/68/146350368.db2.gz UAGVIAFIGMEPAQ-USXIJHARSA-N 1 3 317.477 2.750 20 0 DFADHO CCCOc1ccc(OCCN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000262560883 146371628 /nfs/dbraw/zinc/37/16/28/146371628.db2.gz VLLFYPTWBQUWIB-WBAXXEDZSA-N 1 3 304.434 2.523 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)[C@H]1C ZINC000354670030 147111399 /nfs/dbraw/zinc/11/13/99/147111399.db2.gz URZLNHXLRPYFDX-QZWWFDLISA-N 1 3 310.482 2.818 20 0 DFADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCN3CC=CCC3)CC2)C1 ZINC000355510103 147342433 /nfs/dbraw/zinc/34/24/33/147342433.db2.gz HLKFWRGJEADRFR-PKOBYXMFSA-N 1 3 305.510 2.881 20 0 DFADHO CCN(CC)c1ncc(CN2CCC(C[NH+](C)C)CC2)s1 ZINC000350141031 286009687 /nfs/dbraw/zinc/00/96/87/286009687.db2.gz APVBGHRRQDOJSN-UHFFFAOYSA-N 1 3 310.511 2.763 20 0 DFADHO COc1cc2c(c(CN3CCC(C[NH+](C)C)CC3)c1)O[C@H](C)C2 ZINC000350149890 286011310 /nfs/dbraw/zinc/01/13/10/286011310.db2.gz VNONNEZWKZEOMW-CQSZACIVSA-N 1 3 318.461 2.792 20 0 DFADHO C[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N1CCCCCC1 ZINC000357807256 148131324 /nfs/dbraw/zinc/13/13/24/148131324.db2.gz BVGYQPUGFDANGG-KZNAEPCWSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@H](CNCc1cc(C2CC[NH2+]CC2)no1)CC(F)(F)F ZINC000425893988 296602825 /nfs/dbraw/zinc/60/28/25/296602825.db2.gz FFHGSOOALILVJP-JTQLQIEISA-N 1 3 305.344 2.820 20 0 DFADHO COc1cc(C)c(CN2CCC(C[NH+](C)C)CC2)cc1OC ZINC000350225270 286019780 /nfs/dbraw/zinc/01/97/80/286019780.db2.gz WPALSBFXNDYWBP-UHFFFAOYSA-N 1 3 306.450 2.786 20 0 DFADHO OCCC1(CNCc2cc(C3CC[NH2+]CC3)no2)CCCCC1 ZINC000425897718 296603228 /nfs/dbraw/zinc/60/32/28/296603228.db2.gz VVXRGYQJRFQVLG-UHFFFAOYSA-N 1 3 321.465 2.564 20 0 DFADHO Cc1cccnc1CCCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425898267 296603166 /nfs/dbraw/zinc/60/31/66/296603166.db2.gz YJCKDCAZQGLNAS-UHFFFAOYSA-N 1 3 314.433 2.567 20 0 DFADHO CN1CCC[C@H](C[NH2+]Cc2ccnn2CCc2ccccc2)C1 ZINC000621335154 543482865 /nfs/dbraw/zinc/48/28/65/543482865.db2.gz CTBQRJAUJJHOIF-GOSISDBHSA-N 1 3 312.461 2.557 20 0 DFADHO CCn1nccc1CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350272554 286023337 /nfs/dbraw/zinc/02/33/37/286023337.db2.gz XQGPDRKHBBRSMH-UHFFFAOYSA-N 1 3 313.449 2.646 20 0 DFADHO CCC1CCC(N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000358199474 148281710 /nfs/dbraw/zinc/28/17/10/148281710.db2.gz SCOFXSBHNBKAPN-UHFFFAOYSA-N 1 3 323.525 2.876 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ccccc2O)[C@@H](C)C1 ZINC000358209391 148286793 /nfs/dbraw/zinc/28/67/93/148286793.db2.gz WUSTUDCSMSBOFL-WMZOPIPTSA-N 1 3 320.477 2.661 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCc2ccccc2O)[C@@H](C)C1 ZINC000358209391 148286796 /nfs/dbraw/zinc/28/67/96/148286796.db2.gz WUSTUDCSMSBOFL-WMZOPIPTSA-N 1 3 320.477 2.661 20 0 DFADHO C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358503823 148380521 /nfs/dbraw/zinc/38/05/21/148380521.db2.gz GUMOALKFGUAGBY-CYBMUJFWSA-N 1 3 321.852 2.743 20 0 DFADHO CC(C)[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)N1CCCCC1 ZINC000358809698 148435781 /nfs/dbraw/zinc/43/57/81/148435781.db2.gz FDCKLTUEXFFAEE-QGZVFWFLSA-N 1 3 323.525 2.878 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361045715 149016690 /nfs/dbraw/zinc/01/66/90/149016690.db2.gz MEWFTURCVGAMPK-SFHVURJKSA-N 1 3 304.482 2.860 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC(CCCn2ccnc2)CC1 ZINC000361045715 149016692 /nfs/dbraw/zinc/01/66/92/149016692.db2.gz MEWFTURCVGAMPK-SFHVURJKSA-N 1 3 304.482 2.860 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC(CCCn2ccnc2)CC1 ZINC000361045715 149016693 /nfs/dbraw/zinc/01/66/93/149016693.db2.gz MEWFTURCVGAMPK-SFHVURJKSA-N 1 3 304.482 2.860 20 0 DFADHO C[C@@H]1CN(CCCc2ccsc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000361096647 149027441 /nfs/dbraw/zinc/02/74/41/149027441.db2.gz MHNKWSDSZBXPBZ-SJLPKXTDSA-N 1 3 321.534 2.639 20 0 DFADHO CC[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@@H]1CCOC1 ZINC000361176101 149047909 /nfs/dbraw/zinc/04/79/09/149047909.db2.gz UEZVKZYWOPJMPA-IEBWSBKVSA-N 1 3 320.477 2.574 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CCN2CCCC2)CCN1Cc1ccccc1 ZINC000361345142 149091652 /nfs/dbraw/zinc/09/16/52/149091652.db2.gz YCOYGDSWPOQKAV-IEBWSBKVSA-N 1 3 301.478 2.725 20 0 DFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]2(F)CCNC2)cc1 ZINC000361719444 149200564 /nfs/dbraw/zinc/20/05/64/149200564.db2.gz SYNLSYIDGTVYJV-KSSFIOAISA-N 1 3 319.424 2.701 20 0 DFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2(F)CCNC2)cc1 ZINC000361719444 149200566 /nfs/dbraw/zinc/20/05/66/149200566.db2.gz SYNLSYIDGTVYJV-KSSFIOAISA-N 1 3 319.424 2.701 20 0 DFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000361763748 149213425 /nfs/dbraw/zinc/21/34/25/149213425.db2.gz FWUCONMAEXGCKM-XYJFISCASA-N 1 3 317.477 2.657 20 0 DFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000361763748 149213427 /nfs/dbraw/zinc/21/34/27/149213427.db2.gz FWUCONMAEXGCKM-XYJFISCASA-N 1 3 317.477 2.657 20 0 DFADHO CCCCNC(=[NH2+])NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000361803510 149224240 /nfs/dbraw/zinc/22/42/40/149224240.db2.gz JZTSGIKMTDKCKU-KRWDZBQOSA-N 1 3 302.466 2.813 20 0 DFADHO C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000361970015 149267252 /nfs/dbraw/zinc/26/72/52/149267252.db2.gz FEASUMZQBDYZOG-VROUVPMXSA-N 1 3 315.505 2.683 20 0 DFADHO C[C@H]([NH2+]C1CCC(CO)CC1)c1cccc(OCCN(C)C)c1 ZINC000361979678 149269865 /nfs/dbraw/zinc/26/98/65/149269865.db2.gz BLLOVNKCNNAGKD-HJOIGYKYSA-N 1 3 320.477 2.829 20 0 DFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000362897130 149390927 /nfs/dbraw/zinc/39/09/27/149390927.db2.gz UUUHWCYIDYDYAM-MRXNPFEDSA-N 1 3 317.477 2.552 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(OCc4ccccn4)cc3)C[C@@H]12 ZINC000351472622 286128926 /nfs/dbraw/zinc/12/89/26/286128926.db2.gz BERNSEDTYUPQIG-PWIZWCRZSA-N 1 3 323.440 2.830 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000351482071 286131562 /nfs/dbraw/zinc/13/15/62/286131562.db2.gz YOLREOCMDOQHMQ-BYCMXARLSA-N 1 3 314.351 2.753 20 0 DFADHO CN(Cc1ccccc1)[C@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000371205296 150001762 /nfs/dbraw/zinc/00/17/62/150001762.db2.gz QHXHPCFFQBORCS-MOPGFXCFSA-N 1 3 301.478 2.677 20 0 DFADHO CN(Cc1ccccc1)[C@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000371205296 150001765 /nfs/dbraw/zinc/00/17/65/150001765.db2.gz QHXHPCFFQBORCS-MOPGFXCFSA-N 1 3 301.478 2.677 20 0 DFADHO Cc1cccc(NC2CCN(CCC[NH+]3CCCC3)CC2)n1 ZINC000371203407 150002758 /nfs/dbraw/zinc/00/27/58/150002758.db2.gz AUEQWJMKFUVXAD-UHFFFAOYSA-N 1 3 302.466 2.752 20 0 DFADHO Cc1ccnc(NC[C@H]2CC[N@@H+](CC[C@H]3CCCN3C)C2)c1 ZINC000371204546 150003108 /nfs/dbraw/zinc/00/31/08/150003108.db2.gz IFSJFZKVKJONMK-IAGOWNOFSA-N 1 3 302.466 2.608 20 0 DFADHO Cc1ccnc(NC[C@H]2CC[N@H+](CC[C@H]3CCCN3C)C2)c1 ZINC000371204546 150003110 /nfs/dbraw/zinc/00/31/10/150003110.db2.gz IFSJFZKVKJONMK-IAGOWNOFSA-N 1 3 302.466 2.608 20 0 DFADHO Cc1ccnc(NC[C@H]2CCN(CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC000371204546 150003111 /nfs/dbraw/zinc/00/31/11/150003111.db2.gz IFSJFZKVKJONMK-IAGOWNOFSA-N 1 3 302.466 2.608 20 0 DFADHO Cc1ccnc(NC[C@H]2CCN(CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000371204546 150003113 /nfs/dbraw/zinc/00/31/13/150003113.db2.gz IFSJFZKVKJONMK-IAGOWNOFSA-N 1 3 302.466 2.608 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000371322554 150022940 /nfs/dbraw/zinc/02/29/40/150022940.db2.gz ZTQNLSBTTQSAGD-QZTJIDSGSA-N 1 3 321.509 2.585 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000371322554 150022943 /nfs/dbraw/zinc/02/29/43/150022943.db2.gz ZTQNLSBTTQSAGD-QZTJIDSGSA-N 1 3 321.509 2.585 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000371322554 150022945 /nfs/dbraw/zinc/02/29/45/150022945.db2.gz ZTQNLSBTTQSAGD-QZTJIDSGSA-N 1 3 321.509 2.585 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000371322554 150022947 /nfs/dbraw/zinc/02/29/47/150022947.db2.gz ZTQNLSBTTQSAGD-QZTJIDSGSA-N 1 3 321.509 2.585 20 0 DFADHO C[NH+](C)CC1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000371392553 150037062 /nfs/dbraw/zinc/03/70/62/150037062.db2.gz PRUOIYLZTHNBHT-UHFFFAOYSA-N 1 3 316.424 2.989 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2c3ccccc3CC[C@@H]2N(C)C)CC[N@@H+]1C ZINC000371484242 150054288 /nfs/dbraw/zinc/05/42/88/150054288.db2.gz BKJPALUGXNECEZ-SKWUIDRYSA-N 1 3 301.478 2.676 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2c3ccccc3CC[C@@H]2N(C)C)CC[N@H+]1C ZINC000371484242 150054290 /nfs/dbraw/zinc/05/42/90/150054290.db2.gz BKJPALUGXNECEZ-SKWUIDRYSA-N 1 3 301.478 2.676 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2c3ccccc3CC[C@H]2N(C)C)CC[N@@H+]1C ZINC000371484241 150054379 /nfs/dbraw/zinc/05/43/79/150054379.db2.gz BKJPALUGXNECEZ-OPNNQBFTSA-N 1 3 301.478 2.676 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2c3ccccc3CC[C@H]2N(C)C)CC[N@H+]1C ZINC000371484241 150054381 /nfs/dbraw/zinc/05/43/81/150054381.db2.gz BKJPALUGXNECEZ-OPNNQBFTSA-N 1 3 301.478 2.676 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc(OC)ccc32)C1 ZINC000371877201 150107769 /nfs/dbraw/zinc/10/77/69/150107769.db2.gz TXIXNKKAEKXWEY-WMLDXEAASA-N 1 3 304.434 2.840 20 0 DFADHO [NH3+]Cc1ccc(C(=O)N2CCC[C@@H](NCc3ccccc3)C2)cc1 ZINC000372025333 150127210 /nfs/dbraw/zinc/12/72/10/150127210.db2.gz KGAZMHGTZBUCLV-LJQANCHMSA-N 1 3 323.440 2.540 20 0 DFADHO C[C@H]([NH2+]CCc1cnccn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372355315 150166858 /nfs/dbraw/zinc/16/68/58/150166858.db2.gz LOTQDJORXWGBDV-FUHWJXTLSA-N 1 3 310.445 2.519 20 0 DFADHO C[C@H](NCCc1cnccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372355315 150166861 /nfs/dbraw/zinc/16/68/61/150166861.db2.gz LOTQDJORXWGBDV-FUHWJXTLSA-N 1 3 310.445 2.519 20 0 DFADHO C[C@H](NCCc1cnccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372355315 150166869 /nfs/dbraw/zinc/16/68/69/150166869.db2.gz LOTQDJORXWGBDV-FUHWJXTLSA-N 1 3 310.445 2.519 20 0 DFADHO CCc1ccccc1CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372459878 150175744 /nfs/dbraw/zinc/17/57/44/150175744.db2.gz KESUPVNLQCGNSV-FQEVSTJZSA-N 1 3 315.505 2.849 20 0 DFADHO CCc1ccccc1CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372459878 150175745 /nfs/dbraw/zinc/17/57/45/150175745.db2.gz KESUPVNLQCGNSV-FQEVSTJZSA-N 1 3 315.505 2.849 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(C)cc3)C2)[C@H](C)C1 ZINC000372781915 150184232 /nfs/dbraw/zinc/18/42/32/150184232.db2.gz PMFCNRKJFFFFID-AOIWGVFYSA-N 1 3 301.478 2.894 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(C)cc3)C2)[C@H](C)C1 ZINC000372781915 150184234 /nfs/dbraw/zinc/18/42/34/150184234.db2.gz PMFCNRKJFFFFID-AOIWGVFYSA-N 1 3 301.478 2.894 20 0 DFADHO C[C@@H]1[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000374232556 150327002 /nfs/dbraw/zinc/32/70/02/150327002.db2.gz VXNKVGJPZMWPNY-YTQUADARSA-N 1 3 315.505 2.794 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2conc2C)CC1 ZINC000351684027 286192459 /nfs/dbraw/zinc/19/24/59/286192459.db2.gz DHAKQYPFVANPJY-UHFFFAOYSA-N 1 3 309.454 2.553 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2conc2C)CC1 ZINC000351684027 286192460 /nfs/dbraw/zinc/19/24/60/286192460.db2.gz DHAKQYPFVANPJY-UHFFFAOYSA-N 1 3 309.454 2.553 20 0 DFADHO COc1ccc(CC[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1O ZINC000373789938 286301401 /nfs/dbraw/zinc/30/14/01/286301401.db2.gz YQUNOEPCGOSUNB-USXIJHARSA-N 1 3 318.461 2.938 20 0 DFADHO COc1ccc(CC[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1O ZINC000373789938 286301402 /nfs/dbraw/zinc/30/14/02/286301402.db2.gz YQUNOEPCGOSUNB-USXIJHARSA-N 1 3 318.461 2.938 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCN3CCC[C@@H]3C2)cc1O ZINC000373789938 286301403 /nfs/dbraw/zinc/30/14/03/286301403.db2.gz YQUNOEPCGOSUNB-USXIJHARSA-N 1 3 318.461 2.938 20 0 DFADHO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C1 ZINC000352799464 286470944 /nfs/dbraw/zinc/47/09/44/286470944.db2.gz OHHJUDODSJFOHZ-JQHSSLGASA-N 1 3 323.525 2.661 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](C1CC1)N1CCCC1)CC(C)C ZINC000353458770 286651744 /nfs/dbraw/zinc/65/17/44/286651744.db2.gz KKKYLXAKANQZGD-ROUUACIJSA-N 1 3 323.525 2.734 20 0 DFADHO C[NH+](C)C1CCC(NCc2cn3cc(Cl)ccc3n2)CC1 ZINC000353459057 286652240 /nfs/dbraw/zinc/65/22/40/286652240.db2.gz GBCAILJJDFOWAM-UHFFFAOYSA-N 1 3 306.841 2.950 20 0 DFADHO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000246836269 158101771 /nfs/dbraw/zinc/10/17/71/158101771.db2.gz BYVBIZKNLWEDHC-AEFFLSMTSA-N 1 3 319.493 2.762 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccco1 ZINC000246917210 158105707 /nfs/dbraw/zinc/10/57/07/158105707.db2.gz GDBNEYIVUFOLKX-QBPKDAKJSA-N 1 3 307.482 2.981 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccco1 ZINC000246917210 158105708 /nfs/dbraw/zinc/10/57/08/158105708.db2.gz GDBNEYIVUFOLKX-QBPKDAKJSA-N 1 3 307.482 2.981 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C)c1ccco1 ZINC000246917210 158105709 /nfs/dbraw/zinc/10/57/09/158105709.db2.gz GDBNEYIVUFOLKX-QBPKDAKJSA-N 1 3 307.482 2.981 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246939769 158107449 /nfs/dbraw/zinc/10/74/49/158107449.db2.gz GUVLYRJWRXDJIL-DAYGRLMNSA-N 1 3 306.450 2.782 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](C)Oc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246939769 158107452 /nfs/dbraw/zinc/10/74/52/158107452.db2.gz GUVLYRJWRXDJIL-DAYGRLMNSA-N 1 3 306.450 2.782 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](C)N2CCc3ccccc32)[C@@H](C)C1 ZINC000246969189 158109700 /nfs/dbraw/zinc/10/97/00/158109700.db2.gz JIPLQTHWIHISBU-BQFCYCMXSA-N 1 3 301.478 2.758 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](C)N2CCc3ccccc32)[C@@H](C)C1 ZINC000246969189 158109701 /nfs/dbraw/zinc/10/97/01/158109701.db2.gz JIPLQTHWIHISBU-BQFCYCMXSA-N 1 3 301.478 2.758 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](C)Oc2ccccc2OC)[C@H](C)C1 ZINC000247037569 158115454 /nfs/dbraw/zinc/11/54/54/158115454.db2.gz LPHKUJVRBUQDGI-PMPSAXMXSA-N 1 3 306.450 2.782 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](C)Oc2ccccc2OC)[C@H](C)C1 ZINC000247037569 158115458 /nfs/dbraw/zinc/11/54/58/158115458.db2.gz LPHKUJVRBUQDGI-PMPSAXMXSA-N 1 3 306.450 2.782 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000247124347 158119604 /nfs/dbraw/zinc/11/96/04/158119604.db2.gz PXNDSVJQSVFXCS-HGTKMLMNSA-N 1 3 322.884 2.632 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000247124347 158119607 /nfs/dbraw/zinc/11/96/07/158119607.db2.gz PXNDSVJQSVFXCS-HGTKMLMNSA-N 1 3 322.884 2.632 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc(OCCN(C)C)cc1 ZINC000248130059 158162138 /nfs/dbraw/zinc/16/21/38/158162138.db2.gz OIKDPYJRFPBDAX-XYJFISCASA-N 1 3 320.477 2.829 20 0 DFADHO c1cnn(CC[NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000248396486 158172583 /nfs/dbraw/zinc/17/25/83/158172583.db2.gz HCZLPAZYDSNBDM-UFYCRDLUSA-N 1 3 324.472 2.773 20 0 DFADHO c1cnn(CCN[C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000248396486 158172584 /nfs/dbraw/zinc/17/25/84/158172584.db2.gz HCZLPAZYDSNBDM-UFYCRDLUSA-N 1 3 324.472 2.773 20 0 DFADHO c1cnn(CCN[C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000248396486 158172587 /nfs/dbraw/zinc/17/25/87/158172587.db2.gz HCZLPAZYDSNBDM-UFYCRDLUSA-N 1 3 324.472 2.773 20 0 DFADHO CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248414054 158173280 /nfs/dbraw/zinc/17/32/80/158173280.db2.gz MBEMJSNVAZOCAI-UAFMIMERSA-N 1 3 316.489 2.894 20 0 DFADHO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248583125 158186327 /nfs/dbraw/zinc/18/63/27/158186327.db2.gz WOBKMHWOVIVDIS-USYVTKNRSA-N 1 3 314.473 2.790 20 0 DFADHO OCCCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248751051 158200325 /nfs/dbraw/zinc/20/03/25/158200325.db2.gz OMBFXQFRLQQCBP-GBESFXJTSA-N 1 3 302.462 2.649 20 0 DFADHO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000355060021 158263327 /nfs/dbraw/zinc/26/33/27/158263327.db2.gz UMWZWVUTPWMRIL-CGTJXYLNSA-N 1 3 317.477 2.668 20 0 DFADHO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000355060021 158263330 /nfs/dbraw/zinc/26/33/30/158263330.db2.gz UMWZWVUTPWMRIL-CGTJXYLNSA-N 1 3 317.477 2.668 20 0 DFADHO C[C@@H](C1CCC1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000355067704 158266750 /nfs/dbraw/zinc/26/67/50/158266750.db2.gz YBHHTWDDCLYDAF-YJBOKZPZSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@@H](C1CCC1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000355067704 158266754 /nfs/dbraw/zinc/26/67/54/158266754.db2.gz YBHHTWDDCLYDAF-YJBOKZPZSA-N 1 3 317.477 2.526 20 0 DFADHO Cn1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000355072857 158267362 /nfs/dbraw/zinc/26/73/62/158267362.db2.gz YBGWVOTYQJIRKR-IHWFROFDSA-N 1 3 324.472 2.748 20 0 DFADHO Cn1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000355072857 158267365 /nfs/dbraw/zinc/26/73/65/158267365.db2.gz YBGWVOTYQJIRKR-IHWFROFDSA-N 1 3 324.472 2.748 20 0 DFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CN2CCCC2)[C@@H]1C ZINC000355143230 158284284 /nfs/dbraw/zinc/28/42/84/158284284.db2.gz ZRPLVVKIIPQDKK-OWCLPIDISA-N 1 3 310.482 2.676 20 0 DFADHO CCN(CC)c1ncc(CN2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000357041702 158355078 /nfs/dbraw/zinc/35/50/78/158355078.db2.gz DACMDLZTPUYFKS-HNNXBMFYSA-N 1 3 322.522 2.811 20 0 DFADHO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000358297858 158370144 /nfs/dbraw/zinc/37/01/44/158370144.db2.gz KKWXCGJQRZBYGO-VYDXJSESSA-N 1 3 306.450 2.845 20 0 DFADHO Cc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)s1 ZINC000368293631 158628345 /nfs/dbraw/zinc/62/83/45/158628345.db2.gz KOAYKPZWHMAYCE-UHFFFAOYSA-N 1 3 321.534 2.906 20 0 DFADHO C[NH2+]CC1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000430926470 296812405 /nfs/dbraw/zinc/81/24/05/296812405.db2.gz GMZRCECEYOBVCJ-UHFFFAOYSA-N 1 3 303.381 2.912 20 0 DFADHO C[C@H]([NH3+])C1CCN(CC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000430943424 296813939 /nfs/dbraw/zinc/81/39/39/296813939.db2.gz IBLBBYZCHMCZLR-CKDBGZEDSA-N 1 3 321.509 2.615 20 0 DFADHO CN(C)[C@@H](CC(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000431627909 296843558 /nfs/dbraw/zinc/84/35/58/296843558.db2.gz KXZQHHOOJGSUPT-SFHVURJKSA-N 1 3 317.477 2.672 20 0 DFADHO C[C@@H](CN1CCCCC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431914000 296855301 /nfs/dbraw/zinc/85/53/01/296855301.db2.gz PBPKFIOVKPENNX-FUHWJXTLSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@@H](c1ccc(F)cc1F)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178980300 287137088 /nfs/dbraw/zinc/13/70/88/287137088.db2.gz IEXKFDRGIDCQGF-AWEZNQCLSA-N 1 3 323.431 2.643 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131423446 196168204 /nfs/dbraw/zinc/16/82/04/196168204.db2.gz YSOWXJAAVPVKEH-VYDXJSESSA-N 1 3 302.466 2.500 20 0 DFADHO COCCOCCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000133135985 196314113 /nfs/dbraw/zinc/31/41/13/196314113.db2.gz AZQRNJPQODIIDJ-UHFFFAOYSA-N 1 3 312.498 2.816 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCCCC1)c1cccc(OCCN(C)C)c1 ZINC000134053667 196357428 /nfs/dbraw/zinc/35/74/28/196357428.db2.gz PGAAQTIDZUSVGF-MRXNPFEDSA-N 1 3 320.477 2.973 20 0 DFADHO C[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000377633103 287282811 /nfs/dbraw/zinc/28/28/11/287282811.db2.gz UVFHYBGRLHPFGT-LMMKCTJWSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000377633103 287282814 /nfs/dbraw/zinc/28/28/14/287282814.db2.gz UVFHYBGRLHPFGT-LMMKCTJWSA-N 1 3 307.526 2.913 20 0 DFADHO C[NH+](C)CC1CCN(Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667501702 543619490 /nfs/dbraw/zinc/61/94/90/543619490.db2.gz HOSUYSCTGVMXFZ-LJQANCHMSA-N 1 3 318.461 2.628 20 0 DFADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000667847707 543691557 /nfs/dbraw/zinc/69/15/57/543691557.db2.gz UBIIQZXPIINDDF-NEWSRXKRSA-N 1 3 302.462 2.948 20 0 DFADHO c1nc2n(c1CN1CCC(CCC[NH+]3CCCC3)CC1)CCC2 ZINC000667680355 543658580 /nfs/dbraw/zinc/65/85/80/543658580.db2.gz DVXZPUPQMCNXKY-UHFFFAOYSA-N 1 3 316.493 2.917 20 0 DFADHO [NH3+]Cc1cccc(NC(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000667726687 543667749 /nfs/dbraw/zinc/66/77/49/543667749.db2.gz WQPODFURANNNOT-UHFFFAOYSA-N 1 3 316.449 2.628 20 0 DFADHO CC(C)(C)CCN1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667731459 543668621 /nfs/dbraw/zinc/66/86/21/543668621.db2.gz UKEVPHXPCDBLBJ-UHFFFAOYSA-N 1 3 318.465 2.731 20 0 DFADHO CN(C)[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1ccccc1 ZINC000667732300 543668927 /nfs/dbraw/zinc/66/89/27/543668927.db2.gz FSPBTXPCSVVXSB-KRWDZBQOSA-N 1 3 312.417 2.570 20 0 DFADHO c1cn2c(n1)[C@H](NCC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000295833448 225293096 /nfs/dbraw/zinc/29/30/96/225293096.db2.gz FBPYAZXXEHVGEV-GOSISDBHSA-N 1 3 310.445 2.830 20 0 DFADHO CC(C)OC1CC([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000668512814 543816640 /nfs/dbraw/zinc/81/66/40/543816640.db2.gz QFNFUBQYABQIIP-UHFFFAOYSA-N 1 3 317.477 2.839 20 0 DFADHO C[C@H](O)C1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000668700323 543848350 /nfs/dbraw/zinc/84/83/50/543848350.db2.gz SXXVBDWHZMUBOY-MIGBEJBISA-N 1 3 300.446 2.685 20 0 DFADHO C[C@H](O)C1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000668700323 543848353 /nfs/dbraw/zinc/84/83/53/543848353.db2.gz SXXVBDWHZMUBOY-MIGBEJBISA-N 1 3 300.446 2.685 20 0 DFADHO COCC1CCC([NH2+]Cc2cccc(OCCN(C)C)c2)CC1 ZINC000296617475 226053538 /nfs/dbraw/zinc/05/35/38/226053538.db2.gz ZPIHAZCSCRYWGW-UHFFFAOYSA-N 1 3 320.477 2.922 20 0 DFADHO C[C@@H]1CCC[C@@H](C[NH+]2CCC(CN3CCN(C)CC3)CC2)C1 ZINC000367671527 287394429 /nfs/dbraw/zinc/39/44/29/287394429.db2.gz PPYQJHUJKFFSLU-IEBWSBKVSA-N 1 3 307.526 2.772 20 0 DFADHO CC[C@@H](Cc1cccs1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000669618857 543976155 /nfs/dbraw/zinc/97/61/55/543976155.db2.gz MWQPZUBIIKWXQW-HNNXBMFYSA-N 1 3 309.523 2.685 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2oc(C)nc2C)CC1 ZINC000670991460 544054359 /nfs/dbraw/zinc/05/43/59/544054359.db2.gz XNPFIQZHALSGKT-UHFFFAOYSA-N 1 3 323.481 2.862 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2oc(C)nc2C)CC1 ZINC000670991460 544054362 /nfs/dbraw/zinc/05/43/62/544054362.db2.gz XNPFIQZHALSGKT-UHFFFAOYSA-N 1 3 323.481 2.862 20 0 DFADHO COC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCCC1 ZINC000297359128 227061334 /nfs/dbraw/zinc/06/13/34/227061334.db2.gz FSJDMKBQKCWVBM-UHFFFAOYSA-N 1 3 303.450 2.989 20 0 DFADHO CCN1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)cc2)[C@@H](C)C1 ZINC000674824597 544264013 /nfs/dbraw/zinc/26/40/13/544264013.db2.gz AJSWOOQQHZPZGY-YJBOKZPZSA-N 1 3 317.477 2.598 20 0 DFADHO CCC[NH+]1CCC(NCCc2ccc(OC)cc2OC)CC1 ZINC000675788343 544336670 /nfs/dbraw/zinc/33/66/70/544336670.db2.gz BQVUFXJAXIHTMT-UHFFFAOYSA-N 1 3 306.450 2.710 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4c3cccc4F)C2)CC1 ZINC000675871522 544341317 /nfs/dbraw/zinc/34/13/17/544341317.db2.gz FLSZNBCIFXBRQZ-KUHUBIRLSA-N 1 3 317.452 2.571 20 0 DFADHO COc1cccc(CN2CCC[C@@H](CC[NH3+])C2)c1OC(F)F ZINC000442923926 297211237 /nfs/dbraw/zinc/21/12/37/297211237.db2.gz RIKZMOKLPRNZNC-LBPRGKRZSA-N 1 3 314.376 2.857 20 0 DFADHO CC1(C)C[C@H]([NH2+][C@@H]2CCc3cn[nH]c3C2)CN1Cc1ccccc1 ZINC000677749627 544536632 /nfs/dbraw/zinc/53/66/32/544536632.db2.gz LUQJSVKBQAQCKG-MSOLQXFVSA-N 1 3 324.472 2.910 20 0 DFADHO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678132694 544606916 /nfs/dbraw/zinc/60/69/16/544606916.db2.gz KZFPRVAMCMSBKN-GOSISDBHSA-N 1 3 319.493 2.543 20 0 DFADHO CCN(CCOC)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678133798 544607142 /nfs/dbraw/zinc/60/71/42/544607142.db2.gz DHZGKQXDOKGRFW-UHFFFAOYSA-N 1 3 306.450 2.630 20 0 DFADHO C[N@@H+]1CCC[C@H](N2CCN(C[C@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000678259079 544634603 /nfs/dbraw/zinc/63/46/03/544634603.db2.gz YPYTUFNPRRRALY-AABGKKOBSA-N 1 3 313.489 2.502 20 0 DFADHO C[N@H+]1CCC[C@H](N2CCN(C[C@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000678259079 544634604 /nfs/dbraw/zinc/63/46/04/544634604.db2.gz YPYTUFNPRRRALY-AABGKKOBSA-N 1 3 313.489 2.502 20 0 DFADHO C[NH+](C)CC(C)(C)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000299218769 229001471 /nfs/dbraw/zinc/00/14/71/229001471.db2.gz KNBPYCAKFKUDMU-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO CN1CCC[C@H](N2CC[NH+](C[C@@H]3CCCC(C)(C)C3)CC2)C1 ZINC000678259010 544635149 /nfs/dbraw/zinc/63/51/49/544635149.db2.gz VRCNWWVKPMDVIC-MSOLQXFVSA-N 1 3 307.526 2.915 20 0 DFADHO c1n[nH]cc1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000678295344 544645865 /nfs/dbraw/zinc/64/58/65/544645865.db2.gz TXOXIONMZIOZCU-UHFFFAOYSA-N 1 3 310.445 2.898 20 0 DFADHO c1n[nH]cc1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000678295344 544645870 /nfs/dbraw/zinc/64/58/70/544645870.db2.gz TXOXIONMZIOZCU-UHFFFAOYSA-N 1 3 310.445 2.898 20 0 DFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)[C@H]1CCCOC1 ZINC000678465397 544678730 /nfs/dbraw/zinc/67/87/30/544678730.db2.gz RKRZUMJLUNTYJS-SFHVURJKSA-N 1 3 303.450 2.799 20 0 DFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)[C@H]1CCCOC1 ZINC000678465397 544678731 /nfs/dbraw/zinc/67/87/31/544678731.db2.gz RKRZUMJLUNTYJS-SFHVURJKSA-N 1 3 303.450 2.799 20 0 DFADHO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000678768612 544717929 /nfs/dbraw/zinc/71/79/29/544717929.db2.gz DHOPXEIFLXJQQV-FXAWDEMLSA-N 1 3 315.505 2.927 20 0 DFADHO C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000678768613 544718397 /nfs/dbraw/zinc/71/83/97/544718397.db2.gz DHOPXEIFLXJQQV-PXNSSMCTSA-N 1 3 315.505 2.927 20 0 DFADHO Cc1cc(N2CCN(C)CC2)ccc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000678999382 544766604 /nfs/dbraw/zinc/76/66/04/544766604.db2.gz AONBIORCUATUGP-SJORKVTESA-N 1 3 316.493 2.641 20 0 DFADHO Cc1cc(N2CCN(C)CC2)ccc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000678999382 544766608 /nfs/dbraw/zinc/76/66/08/544766608.db2.gz AONBIORCUATUGP-SJORKVTESA-N 1 3 316.493 2.641 20 0 DFADHO Cc1cc(N2CCN(C)CC2)ccc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000678999379 544766651 /nfs/dbraw/zinc/76/66/51/544766651.db2.gz AONBIORCUATUGP-DLBZAZTESA-N 1 3 316.493 2.641 20 0 DFADHO Cc1cc(N2CCN(C)CC2)ccc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000678999379 544766655 /nfs/dbraw/zinc/76/66/55/544766655.db2.gz AONBIORCUATUGP-DLBZAZTESA-N 1 3 316.493 2.641 20 0 DFADHO CCC[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC000443101706 297215905 /nfs/dbraw/zinc/21/59/05/297215905.db2.gz MRIARSIMKVSSFR-GOEBONIOSA-N 1 3 323.506 2.766 20 0 DFADHO OCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000679722210 544905621 /nfs/dbraw/zinc/90/56/21/544905621.db2.gz ZBWIKNPQLNXLKG-GBESFXJTSA-N 1 3 314.473 2.649 20 0 DFADHO CO[C@@H]1CCCN(C/C=C\C[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679953312 544932819 /nfs/dbraw/zinc/93/28/19/544932819.db2.gz ICLZLBCFOLQHQY-GRFNRIFCSA-N 1 3 310.482 2.544 20 0 DFADHO CO[C@@H]1CCCN(C/C=C\C[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679953312 544932823 /nfs/dbraw/zinc/93/28/23/544932823.db2.gz ICLZLBCFOLQHQY-GRFNRIFCSA-N 1 3 310.482 2.544 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000680148598 544964203 /nfs/dbraw/zinc/96/42/03/544964203.db2.gz FFXSDCGEOJXPLE-RTBURBONSA-N 1 3 318.461 2.674 20 0 DFADHO C[N@H+](CCN1CCN([C@@H]2C=CCCC2)CC1)Cc1ccccc1 ZINC000066534402 425904765 /nfs/dbraw/zinc/90/47/65/425904765.db2.gz HAJKQNZYVOICBF-HXUWFJFHSA-N 1 3 313.489 2.845 20 0 DFADHO C[N@@H+](CCN1CCN([C@@H]2C=CCCC2)CC1)Cc1ccccc1 ZINC000066534402 425904766 /nfs/dbraw/zinc/90/47/66/425904766.db2.gz HAJKQNZYVOICBF-HXUWFJFHSA-N 1 3 313.489 2.845 20 0 DFADHO CC(C)N(C)CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000068387093 425917497 /nfs/dbraw/zinc/91/74/97/425917497.db2.gz XGAXMWDKHNWLEG-OAHLLOKOSA-N 1 3 305.466 2.572 20 0 DFADHO CCN(CC)CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000068386560 425917633 /nfs/dbraw/zinc/91/76/33/425917633.db2.gz VCLOUPNYOJKXMB-HNNXBMFYSA-N 1 3 305.466 2.574 20 0 DFADHO CCN1CC[C@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000037484290 425848426 /nfs/dbraw/zinc/84/84/26/425848426.db2.gz XDNYKDQSJHCEHO-SNVBAGLBSA-N 1 3 303.269 2.942 20 0 DFADHO COC(=O)C1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000192444218 268036678 /nfs/dbraw/zinc/03/66/78/268036678.db2.gz MMDYXSSCIIAGLX-UHFFFAOYSA-N 1 3 308.466 2.715 20 0 DFADHO COC(=O)C1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000192440992 268037020 /nfs/dbraw/zinc/03/70/20/268037020.db2.gz KINXBXWFXHYLOC-UHFFFAOYSA-N 1 3 322.493 2.962 20 0 DFADHO CC(C)(C)[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236697355 268148396 /nfs/dbraw/zinc/14/83/96/268148396.db2.gz NFVGOQXCXPSDOD-QGZVFWFLSA-N 1 3 317.477 2.662 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C1(C[NH3+])CCCC1)c1ccsc1 ZINC000236818437 268151079 /nfs/dbraw/zinc/15/10/79/268151079.db2.gz VVNDSWZTBHZJMH-HNNXBMFYSA-N 1 3 323.506 2.766 20 0 DFADHO Cc1cc(C)c(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1C ZINC000282044040 268271105 /nfs/dbraw/zinc/27/11/05/268271105.db2.gz ATLJKOGVNKNEEM-UHFFFAOYSA-N 1 3 303.494 2.727 20 0 DFADHO C[C@](O)(C[NH2+]C1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000298008158 268311676 /nfs/dbraw/zinc/31/16/76/268311676.db2.gz BXIQZWQWAPMNQE-IBGZPJMESA-N 1 3 317.477 2.971 20 0 DFADHO C[C@@](O)(C[NH2+]C1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000298008162 268311824 /nfs/dbraw/zinc/31/18/24/268311824.db2.gz BXIQZWQWAPMNQE-LJQANCHMSA-N 1 3 317.477 2.971 20 0 DFADHO C[C@H]1CN(C2CC2)CC[N@@H+]([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000298083744 268312568 /nfs/dbraw/zinc/31/25/68/268312568.db2.gz MEIYIVKJVPAAQU-PXNSSMCTSA-N 1 3 313.489 2.677 20 0 DFADHO C[C@H]1CN(C2CC2)CC[N@H+]([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000298083744 268312571 /nfs/dbraw/zinc/31/25/71/268312571.db2.gz MEIYIVKJVPAAQU-PXNSSMCTSA-N 1 3 313.489 2.677 20 0 DFADHO C[C@@H](CCNC[C@H](O)CC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000307935311 268334550 /nfs/dbraw/zinc/33/45/50/268334550.db2.gz DRVKMASVQNXIFG-DZGCQCFKSA-N 1 3 318.383 2.800 20 0 DFADHO C[C@@H](CCNC[C@H](O)CC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000307935311 268334551 /nfs/dbraw/zinc/33/45/51/268334551.db2.gz DRVKMASVQNXIFG-DZGCQCFKSA-N 1 3 318.383 2.800 20 0 DFADHO Clc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc2c1OCO2 ZINC000314706980 268341840 /nfs/dbraw/zinc/34/18/40/268341840.db2.gz HJYYNTJVVVIAFH-BETUJISGSA-N 1 3 308.809 2.500 20 0 DFADHO CC[NH+]1CCC(CN[C@H](C)c2nc3ccccc3n2C)CC1 ZINC000315039976 268341957 /nfs/dbraw/zinc/34/19/57/268341957.db2.gz XZXQJIXGYIHPFV-CQSZACIVSA-N 1 3 300.450 2.956 20 0 DFADHO CCOC(=O)N1CCC(N[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000316478625 268344683 /nfs/dbraw/zinc/34/46/83/268344683.db2.gz ZARPMXUVIYIQJQ-ZBFHGGJFSA-N 1 3 311.470 2.508 20 0 DFADHO CCc1cc(N2CCN([C@@H](CC)CO)CC2)c2ccccc2[nH+]1 ZINC000125628358 425982711 /nfs/dbraw/zinc/98/27/11/425982711.db2.gz AIRHTSVZDVJCHD-INIZCTEOSA-N 1 3 313.445 2.690 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000107351387 425989567 /nfs/dbraw/zinc/98/95/67/425989567.db2.gz AFDXCIYEPAPGAW-KRWDZBQOSA-N 1 3 309.498 2.585 20 0 DFADHO C[N@H+](CCCNC(=O)[C@@H](C1CC1)N1CCCC1)C1CCCCC1 ZINC000126004533 426000902 /nfs/dbraw/zinc/00/09/02/426000902.db2.gz XXYDNWPXOVCFDH-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@@H+](CCCNC(=O)[C@@H](C1CC1)N1CCCC1)C1CCCCC1 ZINC000126004533 426000905 /nfs/dbraw/zinc/00/09/05/426000905.db2.gz XXYDNWPXOVCFDH-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO CCN(C[C@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1)CC(F)(F)F ZINC000124944918 425946503 /nfs/dbraw/zinc/94/65/03/425946503.db2.gz PTNXZBYJELGRMM-CABCVRRESA-N 1 3 321.431 2.677 20 0 DFADHO CCN(C[C@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1)CC(F)(F)F ZINC000124944918 425946507 /nfs/dbraw/zinc/94/65/07/425946507.db2.gz PTNXZBYJELGRMM-CABCVRRESA-N 1 3 321.431 2.677 20 0 DFADHO C[NH+]1CCC(N2CCC(NC(=O)CCCC(C)(C)C)CC2)CC1 ZINC000103433088 425947477 /nfs/dbraw/zinc/94/74/77/425947477.db2.gz SHKNDNIXNDXIKZ-UHFFFAOYSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCN2CCCC2=O)CC1 ZINC000158845477 425948801 /nfs/dbraw/zinc/94/88/01/425948801.db2.gz TUSRGUBGYNFGCP-QGZVFWFLSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCN2CCCC2=O)CC1 ZINC000158845477 425948804 /nfs/dbraw/zinc/94/88/04/425948804.db2.gz TUSRGUBGYNFGCP-QGZVFWFLSA-N 1 3 321.509 2.585 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000104237611 425961266 /nfs/dbraw/zinc/96/12/66/425961266.db2.gz RIXOPXZGYXVEQQ-QGZVFWFLSA-N 1 3 309.498 2.632 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000104237611 425961268 /nfs/dbraw/zinc/96/12/68/425961268.db2.gz RIXOPXZGYXVEQQ-QGZVFWFLSA-N 1 3 309.498 2.632 20 0 DFADHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000104237616 425961484 /nfs/dbraw/zinc/96/14/84/425961484.db2.gz RIXOPXZGYXVEQQ-KRWDZBQOSA-N 1 3 309.498 2.632 20 0 DFADHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000104237616 425961486 /nfs/dbraw/zinc/96/14/86/425961486.db2.gz RIXOPXZGYXVEQQ-KRWDZBQOSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(Cc2cccs2)CC1)[C@H]1CCOC1 ZINC000125457869 425972946 /nfs/dbraw/zinc/97/29/46/425972946.db2.gz NXUSYHPXGNKQCF-ZBFHGGJFSA-N 1 3 308.491 2.975 20 0 DFADHO CCC[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)N(C)C ZINC000161860384 426042974 /nfs/dbraw/zinc/04/29/74/426042974.db2.gz DXLQQXRKLDDLCT-ROUUACIJSA-N 1 3 323.525 2.687 20 0 DFADHO CCC[C@@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC000161996492 426048133 /nfs/dbraw/zinc/04/81/33/426048133.db2.gz LKVNIRAOYMRLOZ-RDJZCZTQSA-N 1 3 319.493 2.962 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)NCC1CCCCC1 ZINC000075859933 426088517 /nfs/dbraw/zinc/08/85/17/426088517.db2.gz BBFHKQTUGIBYHC-GOSISDBHSA-N 1 3 323.525 2.879 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)NCC1CCCCC1 ZINC000075859933 426088519 /nfs/dbraw/zinc/08/85/19/426088519.db2.gz BBFHKQTUGIBYHC-GOSISDBHSA-N 1 3 323.525 2.879 20 0 DFADHO C[C@@H]1C[C@@H](NCCNc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000163086210 426089123 /nfs/dbraw/zinc/08/91/23/426089123.db2.gz YIZCCIODCQVODA-PWSUYJOCSA-N 1 3 317.264 2.873 20 0 DFADHO C[C@@H]1C[C@@H](NCCNc2ncc(Cl)cc2Cl)CC[N@H+]1C ZINC000163086210 426089125 /nfs/dbraw/zinc/08/91/25/426089125.db2.gz YIZCCIODCQVODA-PWSUYJOCSA-N 1 3 317.264 2.873 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCc2cnn(C)c2)CC1 ZINC000127932099 426093283 /nfs/dbraw/zinc/09/32/83/426093283.db2.gz RIXXJNZZBGCDJK-CRAIPNDOSA-N 1 3 304.482 2.595 20 0 DFADHO Cc1ccc([C@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(C)c1 ZINC000128130136 426103542 /nfs/dbraw/zinc/10/35/42/426103542.db2.gz QJBZLNYGZYMPEQ-IRXDYDNUSA-N 1 3 317.477 2.541 20 0 DFADHO Cc1ccc([C@H](C)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C)c1 ZINC000128130136 426103544 /nfs/dbraw/zinc/10/35/44/426103544.db2.gz QJBZLNYGZYMPEQ-IRXDYDNUSA-N 1 3 317.477 2.541 20 0 DFADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1ccc(F)cc1F ZINC000128298301 426111647 /nfs/dbraw/zinc/11/16/47/426111647.db2.gz WXKSRXVCAGRDIX-AWEZNQCLSA-N 1 3 311.420 2.643 20 0 DFADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1ccc(F)cc1F ZINC000128298301 426111648 /nfs/dbraw/zinc/11/16/48/426111648.db2.gz WXKSRXVCAGRDIX-AWEZNQCLSA-N 1 3 311.420 2.643 20 0 DFADHO COC[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C(C)C ZINC000165329570 426121821 /nfs/dbraw/zinc/12/18/21/426121821.db2.gz IDLCDQKPUQEHLV-RBUKOAKNSA-N 1 3 304.478 2.812 20 0 DFADHO C[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)CN1CCCC1 ZINC000165308865 426122677 /nfs/dbraw/zinc/12/26/77/426122677.db2.gz IFDFSSQMXOTJLI-QGZVFWFLSA-N 1 3 301.478 2.977 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000165968452 426124726 /nfs/dbraw/zinc/12/47/26/426124726.db2.gz KEVYACBVXFBXDU-UKRRQHHQSA-N 1 3 312.429 2.842 20 0 DFADHO CC[C@H](N)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000165883855 426124787 /nfs/dbraw/zinc/12/47/87/426124787.db2.gz SUPXTRMMNWLVSC-SFHVURJKSA-N 1 3 317.477 2.805 20 0 DFADHO CC[C@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000165883855 426124789 /nfs/dbraw/zinc/12/47/89/426124789.db2.gz SUPXTRMMNWLVSC-SFHVURJKSA-N 1 3 317.477 2.805 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCCc2nc(C)sc21 ZINC000166027199 426125522 /nfs/dbraw/zinc/12/55/22/426125522.db2.gz KIAACUJKLOEDPT-KGLIPLIRSA-N 1 3 311.495 2.775 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1)C1CC1 ZINC000128728087 426130060 /nfs/dbraw/zinc/13/00/60/426130060.db2.gz KXSRRIZCIKTOMX-QZTJIDSGSA-N 1 3 315.461 2.671 20 0 DFADHO CN(C)C[C@H]1CC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000114479360 426137247 /nfs/dbraw/zinc/13/72/47/426137247.db2.gz VPSFBDKUZSRMHO-OAHLLOKOSA-N 1 3 314.433 2.553 20 0 DFADHO CN(C)C[C@H]1CC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000114479360 426137250 /nfs/dbraw/zinc/13/72/50/426137250.db2.gz VPSFBDKUZSRMHO-OAHLLOKOSA-N 1 3 314.433 2.553 20 0 DFADHO CCCC[C@H](C[NH3+])NC(=O)c1cccc(CN2CCCC2)c1 ZINC000162902605 426083067 /nfs/dbraw/zinc/08/30/67/426083067.db2.gz CUQDQDXIWCYHII-QGZVFWFLSA-N 1 3 303.450 2.530 20 0 DFADHO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000170718345 426146520 /nfs/dbraw/zinc/14/65/20/426146520.db2.gz JOZOCPFUKXUPLU-AWEZNQCLSA-N 1 3 306.454 2.600 20 0 DFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000170718345 426146522 /nfs/dbraw/zinc/14/65/22/426146522.db2.gz JOZOCPFUKXUPLU-AWEZNQCLSA-N 1 3 306.454 2.600 20 0 DFADHO CC(C)OCCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171501414 426191584 /nfs/dbraw/zinc/19/15/84/426191584.db2.gz JETWDHJYBRFXOU-IAGOWNOFSA-N 1 3 312.498 2.623 20 0 DFADHO CN(CC[C@@H]1CC[NH2+]C1)Cc1csc(Br)c1 ZINC000084385353 426237239 /nfs/dbraw/zinc/23/72/39/426237239.db2.gz ZIBMKODLAFXVGT-JTQLQIEISA-N 1 3 303.269 2.942 20 0 DFADHO Cc1cccc(C)c1NC(=O)CCCN1CC[C@H](C[NH+](C)C)C1 ZINC000137413653 426253926 /nfs/dbraw/zinc/25/39/26/426253926.db2.gz CJHPJASMVYGGDB-QGZVFWFLSA-N 1 3 317.477 2.906 20 0 DFADHO Cc1cc(C)cc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c1 ZINC000150947153 426268820 /nfs/dbraw/zinc/26/88/20/426268820.db2.gz VGQKRHDEAPSNDN-KRWDZBQOSA-N 1 3 303.494 2.980 20 0 DFADHO CCc1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000150951855 426269059 /nfs/dbraw/zinc/26/90/59/426269059.db2.gz POQFWXVYDGROKD-INIZCTEOSA-N 1 3 303.494 2.926 20 0 DFADHO N[C@@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000119459426 426289974 /nfs/dbraw/zinc/28/99/74/426289974.db2.gz UPVUHKJHGRLJJX-SFHVURJKSA-N 1 3 315.461 2.600 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000119480581 426291323 /nfs/dbraw/zinc/29/13/23/426291323.db2.gz BMLSHGRBQOFJJN-NUJGCVRESA-N 1 3 317.477 2.561 20 0 DFADHO CC[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OC)cc1 ZINC000151366321 426291708 /nfs/dbraw/zinc/29/17/08/426291708.db2.gz JIVIYJGLLVRLNJ-GOSISDBHSA-N 1 3 306.450 2.583 20 0 DFADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@H](C)C1 ZINC000089129692 426280322 /nfs/dbraw/zinc/28/03/22/426280322.db2.gz SAIJACLOQKRIPG-DYVFJYSZSA-N 1 3 322.424 2.774 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@H](C)C1 ZINC000089129692 426280323 /nfs/dbraw/zinc/28/03/23/426280323.db2.gz SAIJACLOQKRIPG-DYVFJYSZSA-N 1 3 322.424 2.774 20 0 DFADHO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000151184031 426282862 /nfs/dbraw/zinc/28/28/62/426282862.db2.gz PQZVCUXJTARPDQ-WBVHZDCISA-N 1 3 308.466 2.685 20 0 DFADHO C1CC2(C1)[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)[C@@H]1CCO[C@@H]12 ZINC000122115236 426359125 /nfs/dbraw/zinc/35/91/25/426359125.db2.gz YULCEVCKMLNRJC-BZSNNMDCSA-N 1 3 304.478 2.941 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000122779997 426393059 /nfs/dbraw/zinc/39/30/59/426393059.db2.gz WJGGCZDBAYFLFF-UWVAXJGDSA-N 1 3 315.505 2.753 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)CCN1C ZINC000154004668 426418261 /nfs/dbraw/zinc/41/82/61/426418261.db2.gz JLVJKFPHXHJOFG-ULQDDVLXSA-N 1 3 305.466 2.879 20 0 DFADHO Cc1ccc([C@H](C[NH2+][C@H]2CCN(C)[C@H](C)C2)N2CCCC2)o1 ZINC000154016081 426420346 /nfs/dbraw/zinc/42/03/46/426420346.db2.gz PXRHZTPUEKLCHQ-PVAVHDDUSA-N 1 3 305.466 2.797 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(F)cc1 ZINC000154312776 426435422 /nfs/dbraw/zinc/43/54/22/426435422.db2.gz MQEPNGKVSKOOSE-GOSISDBHSA-N 1 3 307.457 2.894 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H]2c3ccccc3C[C@H]2C)CC1 ZINC000154478655 426442753 /nfs/dbraw/zinc/44/27/53/426442753.db2.gz PLKCHVKMTQSSSO-YLJYHZDGSA-N 1 3 315.505 2.927 20 0 DFADHO COc1ccc(C[C@@H](C)CN2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000340698422 269001171 /nfs/dbraw/zinc/00/11/71/269001171.db2.gz OUYWQBGIXIOBOE-KDOFPFPSSA-N 1 3 306.425 2.698 20 0 DFADHO CCCC[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000154559240 426446566 /nfs/dbraw/zinc/44/65/66/426446566.db2.gz WDFJOKQCQRVAPO-SJORKVTESA-N 1 3 309.498 2.619 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177216910 426455855 /nfs/dbraw/zinc/45/58/55/426455855.db2.gz SHXHNFMVYGMDPI-HZPDHXFCSA-N 1 3 309.498 2.630 20 0 DFADHO CN(CCCc1ccccc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000177384279 426474664 /nfs/dbraw/zinc/47/46/64/426474664.db2.gz QATDUUGTGHGPOC-UHFFFAOYSA-N 1 3 303.494 2.577 20 0 DFADHO CN(CCCc1ccccc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177384279 426474667 /nfs/dbraw/zinc/47/46/67/426474667.db2.gz QATDUUGTGHGPOC-UHFFFAOYSA-N 1 3 303.494 2.577 20 0 DFADHO C[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1[C@H](C)CC[C@@H]1C ZINC000101631949 426485583 /nfs/dbraw/zinc/48/55/83/426485583.db2.gz WARZNWOGQJTGIJ-MJBXVCDLSA-N 1 3 309.498 2.673 20 0 DFADHO Cc1cnn(CCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272469880 426533193 /nfs/dbraw/zinc/53/31/93/426533193.db2.gz LEFKWKRFIOTKDN-IEBWSBKVSA-N 1 3 312.461 2.692 20 0 DFADHO Cc1cnn(CCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272469880 426533198 /nfs/dbraw/zinc/53/31/98/426533198.db2.gz LEFKWKRFIOTKDN-IEBWSBKVSA-N 1 3 312.461 2.692 20 0 DFADHO CC[C@@H](c1ccccc1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000195519340 426534122 /nfs/dbraw/zinc/53/41/22/426534122.db2.gz FXXLQODHSJNJEB-SFHVURJKSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@@H]([NH2+]CC1(CO)CCCC1)c1cccc(OCCN(C)C)c1 ZINC000186478275 426535823 /nfs/dbraw/zinc/53/58/23/426535823.db2.gz IXUULIRBCGUYAC-MRXNPFEDSA-N 1 3 320.477 2.830 20 0 DFADHO C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000186520537 426542463 /nfs/dbraw/zinc/54/24/63/426542463.db2.gz SYRNESPKDRJTMQ-HEDFYIJFSA-N 1 3 306.450 2.605 20 0 DFADHO COc1cc(C)c([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1C ZINC000273162149 426605713 /nfs/dbraw/zinc/60/57/13/426605713.db2.gz KQXWHKMXAODTQA-MRXNPFEDSA-N 1 3 320.477 2.809 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000273209238 426617066 /nfs/dbraw/zinc/61/70/66/426617066.db2.gz LJJGCWGTSFBZDX-AWEZNQCLSA-N 1 3 321.465 2.732 20 0 DFADHO CCN1CC[C@@H](C[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000187115253 426631916 /nfs/dbraw/zinc/63/19/16/426631916.db2.gz SWNQQFWCTOPUPB-HOCLYGCPSA-N 1 3 308.441 2.944 20 0 DFADHO Cc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)ccc1F ZINC000289385048 426643312 /nfs/dbraw/zinc/64/33/12/426643312.db2.gz DALRJLNEBMPJER-UHFFFAOYSA-N 1 3 307.457 2.592 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000236858317 426686727 /nfs/dbraw/zinc/68/67/27/426686727.db2.gz WEYQOVPDWDYGPG-XYJFISCASA-N 1 3 319.493 2.949 20 0 DFADHO FC(F)(F)SCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000231939964 426653609 /nfs/dbraw/zinc/65/36/09/426653609.db2.gz UBRSGNXQVIEPLE-UHFFFAOYSA-N 1 3 305.369 2.893 20 0 DFADHO O[C@@H](C[NH2+][C@@H]1CCCc2c(Cl)cccc21)CN1CCCC1 ZINC000273400841 426658551 /nfs/dbraw/zinc/65/85/51/426658551.db2.gz NAALBVKCJQWNKJ-SUMWQHHRSA-N 1 3 308.853 2.764 20 0 DFADHO Cc1ccc([C@@H]2CCN(C[C@H](O)C[N@@H+](C)C3CC3)C2)c(C)c1 ZINC000289482433 426666787 /nfs/dbraw/zinc/66/67/87/426666787.db2.gz YDPLYVPJYRGLON-SJLPKXTDSA-N 1 3 302.462 2.548 20 0 DFADHO Cc1ccc([C@@H]2CCN(C[C@H](O)C[N@H+](C)C3CC3)C2)c(C)c1 ZINC000289482433 426666791 /nfs/dbraw/zinc/66/67/91/426666791.db2.gz YDPLYVPJYRGLON-SJLPKXTDSA-N 1 3 302.462 2.548 20 0 DFADHO CC[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N(CC)CC ZINC000265647126 426668425 /nfs/dbraw/zinc/66/84/25/426668425.db2.gz XHXQZFVPXHXJSJ-QGZVFWFLSA-N 1 3 321.465 2.686 20 0 DFADHO CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000236680552 426675265 /nfs/dbraw/zinc/67/52/65/426675265.db2.gz ZOJAIQOLSMQMDJ-QGZVFWFLSA-N 1 3 317.477 2.532 20 0 DFADHO C[C@H]1C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)c2ccccc21 ZINC000289301317 426622625 /nfs/dbraw/zinc/62/26/25/426622625.db2.gz SEDZQZFCDHXOCE-KXBFYZLASA-N 1 3 301.478 2.851 20 0 DFADHO CN1CCC[C@@H](CNC(=O)C2([NH3+])CCCC2)[C@@H]1c1cccs1 ZINC000237114479 426689572 /nfs/dbraw/zinc/68/95/72/426689572.db2.gz APHFMKODIRFGNK-DZGCQCFKSA-N 1 3 321.490 2.519 20 0 DFADHO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000290145213 426702890 /nfs/dbraw/zinc/70/28/90/426702890.db2.gz KYBJVUJHGOXVDX-SIZVQLJJSA-N 1 3 302.462 2.910 20 0 DFADHO C[C@H](CN[C@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000237609301 426693487 /nfs/dbraw/zinc/69/34/87/426693487.db2.gz AFCQBEKSEJWGIV-QUCCMNQESA-N 1 3 315.505 2.973 20 0 DFADHO O[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC[C@H](C(F)(F)F)C1 ZINC000188600363 426767473 /nfs/dbraw/zinc/76/74/73/426767473.db2.gz XFEMXRRZSYQHTL-GBJTYRQASA-N 1 3 320.399 2.686 20 0 DFADHO O[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC[C@H](C(F)(F)F)C1 ZINC000188600363 426767475 /nfs/dbraw/zinc/76/74/75/426767475.db2.gz XFEMXRRZSYQHTL-GBJTYRQASA-N 1 3 320.399 2.686 20 0 DFADHO COc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1O ZINC000290478198 426773139 /nfs/dbraw/zinc/77/31/39/426773139.db2.gz NXXQCVCYLWGRSX-INIZCTEOSA-N 1 3 304.434 2.565 20 0 DFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000290482774 426775121 /nfs/dbraw/zinc/77/51/21/426775121.db2.gz DUDAHMMGQXUOMW-OAHLLOKOSA-N 1 3 305.466 2.598 20 0 DFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000290482774 426775125 /nfs/dbraw/zinc/77/51/25/426775125.db2.gz DUDAHMMGQXUOMW-OAHLLOKOSA-N 1 3 305.466 2.598 20 0 DFADHO CC(=O)Nc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000290512840 426781524 /nfs/dbraw/zinc/78/15/24/426781524.db2.gz PREYIKVNMFDFJY-SJLPKXTDSA-N 1 3 301.434 2.561 20 0 DFADHO CC(=O)Nc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000290512840 426781525 /nfs/dbraw/zinc/78/15/25/426781525.db2.gz PREYIKVNMFDFJY-SJLPKXTDSA-N 1 3 301.434 2.561 20 0 DFADHO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000290512840 426781527 /nfs/dbraw/zinc/78/15/27/426781527.db2.gz PREYIKVNMFDFJY-SJLPKXTDSA-N 1 3 301.434 2.561 20 0 DFADHO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000290512840 426781528 /nfs/dbraw/zinc/78/15/28/426781528.db2.gz PREYIKVNMFDFJY-SJLPKXTDSA-N 1 3 301.434 2.561 20 0 DFADHO COC[C@@H](C)N(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000179370595 426781871 /nfs/dbraw/zinc/78/18/71/426781871.db2.gz NGGUFKQVMVUFHR-MRXNPFEDSA-N 1 3 319.493 2.684 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C(C)(C)C ZINC000290246361 426725329 /nfs/dbraw/zinc/72/53/29/426725329.db2.gz JODXNVVMXKQTOG-KRWDZBQOSA-N 1 3 319.493 2.892 20 0 DFADHO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000281955057 426802028 /nfs/dbraw/zinc/80/20/28/426802028.db2.gz ARRZGETVVPWOBK-HKUYNNGSSA-N 1 3 320.477 2.922 20 0 DFADHO COc1ccc(OC)c(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290618736 426806561 /nfs/dbraw/zinc/80/65/61/426806561.db2.gz XBEDDLFFYSGFNX-INIZCTEOSA-N 1 3 318.461 2.868 20 0 DFADHO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCCN(C)C ZINC000282036169 426817444 /nfs/dbraw/zinc/81/74/44/426817444.db2.gz FTHHKLMGOPJDMP-FUHWJXTLSA-N 1 3 320.477 2.922 20 0 DFADHO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCCN(C)C ZINC000282036172 426818031 /nfs/dbraw/zinc/81/80/31/426818031.db2.gz FTHHKLMGOPJDMP-WMZOPIPTSA-N 1 3 320.477 2.922 20 0 DFADHO CCC(C)(C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000274689705 426818181 /nfs/dbraw/zinc/81/81/81/426818181.db2.gz ZSBGNDSZSBMPFV-INIZCTEOSA-N 1 3 305.466 2.526 20 0 DFADHO CCC(C)(C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000274689705 426818185 /nfs/dbraw/zinc/81/81/85/426818185.db2.gz ZSBGNDSZSBMPFV-INIZCTEOSA-N 1 3 305.466 2.526 20 0 DFADHO Cc1ccc(C2CC([NH2+]CCN3CCN(C)C(C)(C)C3)C2)cc1 ZINC000282114734 426832581 /nfs/dbraw/zinc/83/25/81/426832581.db2.gz ALPNOWXUAKCHRA-UHFFFAOYSA-N 1 3 315.505 2.857 20 0 DFADHO Cc1cc(NCc2ccc(CN3CCC(O)CC3)cc2)cc[nH+]1 ZINC000274778519 426835006 /nfs/dbraw/zinc/83/50/06/426835006.db2.gz DAXHDRGFOPBNAW-UHFFFAOYSA-N 1 3 311.429 2.959 20 0 DFADHO COC1(C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CCC1 ZINC000180201767 426844416 /nfs/dbraw/zinc/84/44/16/426844416.db2.gz POHGULMWZYNVDF-OAHLLOKOSA-N 1 3 306.450 2.847 20 0 DFADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553560 426792812 /nfs/dbraw/zinc/79/28/12/426792812.db2.gz RXIJZXDKTIBQQN-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553560 426792817 /nfs/dbraw/zinc/79/28/17/426792817.db2.gz RXIJZXDKTIBQQN-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553560 426792822 /nfs/dbraw/zinc/79/28/22/426792822.db2.gz RXIJZXDKTIBQQN-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553560 426792828 /nfs/dbraw/zinc/79/28/28/426792828.db2.gz RXIJZXDKTIBQQN-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO CSc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000266913529 426794451 /nfs/dbraw/zinc/79/44/51/426794451.db2.gz WXMHQBPPEMIHPV-CQSZACIVSA-N 1 3 308.491 2.906 20 0 DFADHO C[C@H](CNC[C@@H](O)C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000295342947 426918831 /nfs/dbraw/zinc/91/88/31/426918831.db2.gz BJJDMDQPAFYXSD-CXAGYDPISA-N 1 3 312.404 2.505 20 0 DFADHO C[C@@H](CCc1cccc(F)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282277074 426869577 /nfs/dbraw/zinc/86/95/77/426869577.db2.gz KUVQSXOVFDPCHR-INIZCTEOSA-N 1 3 321.484 2.762 20 0 DFADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282276552 426869676 /nfs/dbraw/zinc/86/96/76/426869676.db2.gz PCZGNRHNXLQAOX-ZDUSSCGKSA-N 1 3 304.463 2.580 20 0 DFADHO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc(OCCN(C)C)c1 ZINC000246838112 426870548 /nfs/dbraw/zinc/87/05/48/426870548.db2.gz BLLOVNKCNNAGKD-BQFCYCMXSA-N 1 3 320.477 2.829 20 0 DFADHO Cc1cccc(CC[C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282313511 426878670 /nfs/dbraw/zinc/87/86/70/426878670.db2.gz NFDCRKJKBVCZMD-GOSISDBHSA-N 1 3 317.521 2.932 20 0 DFADHO C[NH+](C)CCCOc1ccc(CNC[C@@H]2CCC=CO2)cc1 ZINC000189559623 426889005 /nfs/dbraw/zinc/88/90/05/426889005.db2.gz YNGPOLCORUJDFN-SFHVURJKSA-N 1 3 304.434 2.799 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1cccc(OCCN(C)C)c1 ZINC000305157194 426889666 /nfs/dbraw/zinc/88/96/66/426889666.db2.gz QKEIUKJOZGWAOS-BQFCYCMXSA-N 1 3 320.477 2.829 20 0 DFADHO CN(C)Cc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000316501973 426946055 /nfs/dbraw/zinc/94/60/55/426946055.db2.gz MFPVEOHEJOEKCO-ZXFUBFMLSA-N 1 3 301.434 2.607 20 0 DFADHO C[C@H](C[NH2+]Cc1cccc(OCc2ccccn2)c1)CN(C)C ZINC000291687479 426951288 /nfs/dbraw/zinc/95/12/88/426951288.db2.gz IOBVKNPBQJUDBD-MRXNPFEDSA-N 1 3 313.445 2.948 20 0 DFADHO CC(C)[C@@H](C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)N(C)C ZINC000337752087 426954280 /nfs/dbraw/zinc/95/42/80/426954280.db2.gz WAGZPZJLJIMDKX-KRWDZBQOSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@H](CNC(=O)[C@H](N)CC1CCCCC1)C[NH+]1CCCCC1 ZINC000318720908 426958473 /nfs/dbraw/zinc/95/84/73/426958473.db2.gz HHAVBENMJLYJRI-NVXWUHKLSA-N 1 3 309.498 2.522 20 0 DFADHO COc1cccc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)c1 ZINC000283146100 426962959 /nfs/dbraw/zinc/96/29/59/426962959.db2.gz CCGJTFQBJRIHGP-QGZVFWFLSA-N 1 3 319.493 2.762 20 0 DFADHO C[C@H]1CN(C)CC[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000323623268 426975071 /nfs/dbraw/zinc/97/50/71/426975071.db2.gz DCDZKBSMMSABNN-FXAWDEMLSA-N 1 3 315.505 2.623 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCc2ccc(F)c(CN(C)C)c2)[C@@H](C)C1 ZINC000248147813 426983722 /nfs/dbraw/zinc/98/37/22/426983722.db2.gz QKSARTSJDZSVRB-KBXCAEBGSA-N 1 3 307.457 2.707 20 0 DFADHO CC[N@H+]1CC[C@@H](NCc2ccc(F)c(CN(C)C)c2)[C@@H](C)C1 ZINC000248147813 426983723 /nfs/dbraw/zinc/98/37/23/426983723.db2.gz QKSARTSJDZSVRB-KBXCAEBGSA-N 1 3 307.457 2.707 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccc(F)c(CN(C)C)c2)[C@@H](C)C1 ZINC000248147813 426983729 /nfs/dbraw/zinc/98/37/29/426983729.db2.gz QKSARTSJDZSVRB-KBXCAEBGSA-N 1 3 307.457 2.707 20 0 DFADHO CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248404748 426995099 /nfs/dbraw/zinc/99/50/99/426995099.db2.gz QPYJNPYVUKCFQP-UAFMIMERSA-N 1 3 316.489 2.894 20 0 DFADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)c2ccccc2)CC1 ZINC000283293047 426992037 /nfs/dbraw/zinc/99/20/37/426992037.db2.gz MUTGOBBWHKMDMC-UHFFFAOYSA-N 1 3 303.494 2.927 20 0 DFADHO CC1(C)CC([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC(C)(C)N1 ZINC000314766975 426932379 /nfs/dbraw/zinc/93/23/79/426932379.db2.gz JBVUPNVXHJCDIM-PWSUYJOCSA-N 1 3 308.388 2.995 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000291644179 426936518 /nfs/dbraw/zinc/93/65/18/426936518.db2.gz VYTBORUNSUZFMX-OAHLLOKOSA-N 1 3 305.466 2.598 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000291644179 426936523 /nfs/dbraw/zinc/93/65/23/426936523.db2.gz VYTBORUNSUZFMX-OAHLLOKOSA-N 1 3 305.466 2.598 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000338009043 427090394 /nfs/dbraw/zinc/09/03/94/427090394.db2.gz FQGZXNMINWQAEW-HSALFYBXSA-N 1 3 314.473 2.922 20 0 DFADHO CC[NH+]1CCC(N[C@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000268697900 427093375 /nfs/dbraw/zinc/09/33/75/427093375.db2.gz AJFKJJVSTQQXKH-CYBMUJFWSA-N 1 3 301.434 2.706 20 0 DFADHO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(C)C ZINC000268709401 427097833 /nfs/dbraw/zinc/09/78/33/427097833.db2.gz COTFLNXLNJFANR-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO C[C@H]1CSCCN(C/C=C/C[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000190411521 427099918 /nfs/dbraw/zinc/09/99/18/427099918.db2.gz YFNVXGVTBIKNBF-ZOSBBBERSA-N 1 3 314.564 2.912 20 0 DFADHO C[C@H]1CSCCN(C/C=C/C[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000190411521 427099922 /nfs/dbraw/zinc/09/99/22/427099922.db2.gz YFNVXGVTBIKNBF-ZOSBBBERSA-N 1 3 314.564 2.912 20 0 DFADHO C[C@H]1CSCC[N@@H+](C/C=C/CN2CCSC[C@@H](C)C2)C1 ZINC000190411521 427099927 /nfs/dbraw/zinc/09/99/27/427099927.db2.gz YFNVXGVTBIKNBF-ZOSBBBERSA-N 1 3 314.564 2.912 20 0 DFADHO C[C@H]1CSCC[N@H+](C/C=C/CN2CCSC[C@@H](C)C2)C1 ZINC000190411521 427099934 /nfs/dbraw/zinc/09/99/34/427099934.db2.gz YFNVXGVTBIKNBF-ZOSBBBERSA-N 1 3 314.564 2.912 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC2CCN(C)CC2)cc1 ZINC000338039923 427106409 /nfs/dbraw/zinc/10/64/09/427106409.db2.gz GVPYHTCTBUACJD-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CCN(C)CC2)cc1 ZINC000338039923 427106416 /nfs/dbraw/zinc/10/64/16/427106416.db2.gz GVPYHTCTBUACJD-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000268798696 427118997 /nfs/dbraw/zinc/11/89/97/427118997.db2.gz GXHUBFXKPVSOQD-CVEARBPZSA-N 1 3 317.477 2.675 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000268798696 427119005 /nfs/dbraw/zinc/11/90/05/427119005.db2.gz GXHUBFXKPVSOQD-CVEARBPZSA-N 1 3 317.477 2.675 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000268802784 427121535 /nfs/dbraw/zinc/12/15/35/427121535.db2.gz HXFRMGPBLKINQV-CVEARBPZSA-N 1 3 317.477 2.533 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000268802784 427121538 /nfs/dbraw/zinc/12/15/38/427121538.db2.gz HXFRMGPBLKINQV-CVEARBPZSA-N 1 3 317.477 2.533 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000268799201 427122537 /nfs/dbraw/zinc/12/25/37/427122537.db2.gz XVZNWRKZQRATAS-GUDVDZBRSA-N 1 3 320.452 2.990 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000268799201 427122540 /nfs/dbraw/zinc/12/25/40/427122540.db2.gz XVZNWRKZQRATAS-GUDVDZBRSA-N 1 3 320.452 2.990 20 0 DFADHO CCc1c(C)[nH+]c2ccccc2c1N1CCCN(CCO)CC1 ZINC000182721616 427131569 /nfs/dbraw/zinc/13/15/69/427131569.db2.gz ARJRSSJGKZRHCT-UHFFFAOYSA-N 1 3 313.445 2.610 20 0 DFADHO CO[C@@H](C)[C@@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000268830258 427131881 /nfs/dbraw/zinc/13/18/81/427131881.db2.gz WCWYWGDNICSJBD-MSOLQXFVSA-N 1 3 319.493 2.602 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000268969079 427142640 /nfs/dbraw/zinc/14/26/40/427142640.db2.gz HVCNEEMRZKBMDN-IRXDYDNUSA-N 1 3 306.425 2.508 20 0 DFADHO CC(C)[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)N1CCCCC1 ZINC000269196482 427151564 /nfs/dbraw/zinc/15/15/64/427151564.db2.gz IVEPCCQKGDDLSS-SFHVURJKSA-N 1 3 315.461 2.781 20 0 DFADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000296349895 427152934 /nfs/dbraw/zinc/15/29/34/427152934.db2.gz IXUGWIYCNCXDPX-DZGCQCFKSA-N 1 3 311.495 2.635 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000296349899 427153302 /nfs/dbraw/zinc/15/33/02/427153302.db2.gz IXUGWIYCNCXDPX-HIFRSBDPSA-N 1 3 311.495 2.635 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(C)c(Cl)c2)CC1 ZINC000195437213 271234376 /nfs/dbraw/zinc/23/43/76/271234376.db2.gz TXVADPDJCPKXGE-HNNXBMFYSA-N 1 3 309.885 2.764 20 0 DFADHO CCOC(=O)N1CCC([NH2+]C2CC(C)(C)NC(C)(C)C2)CC1 ZINC000236878091 271240666 /nfs/dbraw/zinc/24/06/66/271240666.db2.gz UQUAWTJQSKGZOY-UHFFFAOYSA-N 1 3 311.470 2.506 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000237991255 271254449 /nfs/dbraw/zinc/25/44/49/271254449.db2.gz YDEWEEMXVIVVLG-MSOLQXFVSA-N 1 3 315.461 2.530 20 0 DFADHO COc1ncc([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)cc1Cl ZINC000284288141 427174235 /nfs/dbraw/zinc/17/42/35/427174235.db2.gz KCIULMSDAZVMAS-VXGBXAGGSA-N 1 3 309.841 2.879 20 0 DFADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000277353298 427175301 /nfs/dbraw/zinc/17/53/01/427175301.db2.gz WUHRLABLHRVXTO-INIZCTEOSA-N 1 3 307.413 2.570 20 0 DFADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000277353298 427175307 /nfs/dbraw/zinc/17/53/07/427175307.db2.gz WUHRLABLHRVXTO-INIZCTEOSA-N 1 3 307.413 2.570 20 0 DFADHO CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cn1 ZINC000190754242 427176283 /nfs/dbraw/zinc/17/62/83/427176283.db2.gz BVVUNJWMNOYNMF-MRXNPFEDSA-N 1 3 302.466 2.500 20 0 DFADHO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284353777 427189214 /nfs/dbraw/zinc/18/92/14/427189214.db2.gz MMLSLGHFEDUJOI-BEFAXECRSA-N 1 3 318.461 2.674 20 0 DFADHO C[C@H](O)[C@](C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000253351276 427199623 /nfs/dbraw/zinc/19/96/23/427199623.db2.gz IYRIMFFUHZMMKF-FFGOWVMKSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@H](O)[C@](C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000253351276 427199626 /nfs/dbraw/zinc/19/96/26/427199626.db2.gz IYRIMFFUHZMMKF-FFGOWVMKSA-N 1 3 316.489 2.833 20 0 DFADHO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000183199680 427219885 /nfs/dbraw/zinc/21/98/85/427219885.db2.gz BSAUCOLVGGGOKL-YZVOILCLSA-N 1 3 312.461 2.999 20 0 DFADHO c1cnn(CC[NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000183149751 427211068 /nfs/dbraw/zinc/21/10/68/427211068.db2.gz HCZLPAZYDSNBDM-ZCNNSNEGSA-N 1 3 324.472 2.773 20 0 DFADHO c1cnn(CCN[C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000183149751 427211073 /nfs/dbraw/zinc/21/10/73/427211073.db2.gz HCZLPAZYDSNBDM-ZCNNSNEGSA-N 1 3 324.472 2.773 20 0 DFADHO c1cnn(CCN[C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000183149751 427211078 /nfs/dbraw/zinc/21/10/78/427211078.db2.gz HCZLPAZYDSNBDM-ZCNNSNEGSA-N 1 3 324.472 2.773 20 0 DFADHO Cc1ccccc1NC(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285402790 427221030 /nfs/dbraw/zinc/22/10/30/427221030.db2.gz FIRNKSZSXQABSQ-SJPCQFCGSA-N 1 3 315.461 2.881 20 0 DFADHO Cc1ccccc1NC(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285402790 427221035 /nfs/dbraw/zinc/22/10/35/427221035.db2.gz FIRNKSZSXQABSQ-SJPCQFCGSA-N 1 3 315.461 2.881 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cccc(F)c1F ZINC000183279958 427238058 /nfs/dbraw/zinc/23/80/58/427238058.db2.gz JWBPBFGIKUUYDH-OLZOCXBDSA-N 1 3 300.393 2.972 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cccc(F)c1F ZINC000183279922 427238603 /nfs/dbraw/zinc/23/86/03/427238603.db2.gz JWBPBFGIKUUYDH-STQMWFEESA-N 1 3 300.393 2.972 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCCOCC1)c1cccc(OCCN(C)C)c1 ZINC000183350154 427251468 /nfs/dbraw/zinc/25/14/68/427251468.db2.gz NHPXMXANJKGGDH-WBVHZDCISA-N 1 3 306.450 2.847 20 0 DFADHO CN(Cc1ccc(Br)o1)CC1CC[NH+](C)CC1 ZINC000191323497 427319577 /nfs/dbraw/zinc/31/95/77/427319577.db2.gz UQFCWNNBTQHQKU-UHFFFAOYSA-N 1 3 301.228 2.816 20 0 DFADHO CC[NH+]1CCC(NCc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000338436477 427320622 /nfs/dbraw/zinc/32/06/22/427320622.db2.gz LLJKXGMYCKWLIC-UHFFFAOYSA-N 1 3 312.461 2.969 20 0 DFADHO C[C@@H]1CCC[C@](CNC(=O)c2ccc3c(c2)CNC3)([NH+](C)C)C1 ZINC000261854636 427343076 /nfs/dbraw/zinc/34/30/76/427343076.db2.gz JVMJPUKWOHRHRV-KUHUBIRLSA-N 1 3 315.461 2.530 20 0 DFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000261969742 427348330 /nfs/dbraw/zinc/34/83/30/427348330.db2.gz CUQJNJBNMUQMGF-JFIYKMOQSA-N 1 3 319.493 2.766 20 0 DFADHO COC(=O)C(C)(C)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000338563027 427383232 /nfs/dbraw/zinc/38/32/32/427383232.db2.gz HGXCWCDKBIJTOJ-HOCLYGCPSA-N 1 3 308.466 2.524 20 0 DFADHO COC(=O)C(C)(C)CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000338563027 427383237 /nfs/dbraw/zinc/38/32/37/427383237.db2.gz HGXCWCDKBIJTOJ-HOCLYGCPSA-N 1 3 308.466 2.524 20 0 DFADHO CC[C@@]1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000262961565 427386087 /nfs/dbraw/zinc/38/60/87/427386087.db2.gz KIACETWPOXWHNT-AWEZNQCLSA-N 1 3 315.339 2.635 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2cnccc2C)CC1 ZINC000271072557 427396099 /nfs/dbraw/zinc/39/60/99/427396099.db2.gz VZZZXARPMLZFTD-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnccc2C)CC1 ZINC000271072557 427396102 /nfs/dbraw/zinc/39/61/02/427396102.db2.gz VZZZXARPMLZFTD-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000191655376 427399808 /nfs/dbraw/zinc/39/98/08/427399808.db2.gz KYBJVUJHGOXVDX-HAYURNKSSA-N 1 3 302.462 2.910 20 0 DFADHO FC(F)(F)c1ccnc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000293711888 427413602 /nfs/dbraw/zinc/41/36/02/427413602.db2.gz MWMLCVWTXVBKQC-LSDHHAIUSA-N 1 3 313.367 2.859 20 0 DFADHO FC(F)(F)c1ccnc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000293711888 427413606 /nfs/dbraw/zinc/41/36/06/427413606.db2.gz MWMLCVWTXVBKQC-LSDHHAIUSA-N 1 3 313.367 2.859 20 0 DFADHO C[C@@H]1CN(CCC[NH2+]CC2=Cc3ccccc3OC2)CCCO1 ZINC000277905805 427355223 /nfs/dbraw/zinc/35/52/23/427355223.db2.gz PFXAWCXMFBGMPE-MRXNPFEDSA-N 1 3 316.445 2.553 20 0 DFADHO CCc1ccc2[nH+]ccc(N[C@@H](C)CN3CCN(C)CC3)c2c1 ZINC000297224874 427365692 /nfs/dbraw/zinc/36/56/92/427365692.db2.gz SXOXIEPBKPWAQY-HNNXBMFYSA-N 1 3 312.461 2.845 20 0 DFADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc([S@](C)=O)cc1 ZINC000278797405 427454543 /nfs/dbraw/zinc/45/45/43/427454543.db2.gz QWCGQDYKNCMQRG-CDKDPZJASA-N 1 3 306.475 2.700 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000263299569 427455800 /nfs/dbraw/zinc/45/58/00/427455800.db2.gz ZAINGNUPLNSQCR-IAGOWNOFSA-N 1 3 321.509 2.761 20 0 DFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000263299569 427455807 /nfs/dbraw/zinc/45/58/07/427455807.db2.gz ZAINGNUPLNSQCR-IAGOWNOFSA-N 1 3 321.509 2.761 20 0 DFADHO Cc1nccn1C[C@H]1CCCN1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000271249982 427467438 /nfs/dbraw/zinc/46/74/38/427467438.db2.gz DRCHMUDSUGOUSH-UXHICEINSA-N 1 3 324.472 2.930 20 0 DFADHO Cc1nccn1C[C@H]1CCCN1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271249982 427467444 /nfs/dbraw/zinc/46/74/44/427467444.db2.gz DRCHMUDSUGOUSH-UXHICEINSA-N 1 3 324.472 2.930 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000263352187 427469948 /nfs/dbraw/zinc/46/99/48/427469948.db2.gz QBZKOFXVRADQBS-WMZOPIPTSA-N 1 3 317.477 2.705 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000263352187 427469955 /nfs/dbraw/zinc/46/99/55/427469955.db2.gz QBZKOFXVRADQBS-WMZOPIPTSA-N 1 3 317.477 2.705 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNC/C=C/c2ccc(F)c(F)c2)CC1 ZINC000286266153 427473686 /nfs/dbraw/zinc/47/36/86/427473686.db2.gz BFIJJCSCDDOWQV-ONEGZZNKSA-N 1 3 324.415 2.803 20 0 DFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@H]1C[C@H]1c1ccccc1 ZINC000338778490 427481113 /nfs/dbraw/zinc/48/11/13/427481113.db2.gz FAYHNGQEHYJLQL-UHOSZYNNSA-N 1 3 315.505 2.794 20 0 DFADHO CC[NH+](CC)[C@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000271283175 427482729 /nfs/dbraw/zinc/48/27/29/427482729.db2.gz OLNZFMRSGFFTHX-OALUTQOASA-N 1 3 301.478 2.677 20 0 DFADHO CC[NH+](CC)[C@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000271283172 427483402 /nfs/dbraw/zinc/48/34/02/427483402.db2.gz OLNZFMRSGFFTHX-MOPGFXCFSA-N 1 3 301.478 2.677 20 0 DFADHO C[C@@H](NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338783714 427485654 /nfs/dbraw/zinc/48/56/54/427485654.db2.gz HCCBNNVMFNOLQW-LMCOJAPRSA-N 1 3 316.489 2.861 20 0 DFADHO CN(CCNC(=O)CC1(C[NH3+])CCCCC1)Cc1ccccc1 ZINC000184228109 427420402 /nfs/dbraw/zinc/42/04/02/427420402.db2.gz ZWFNEVDROXLCTL-UHFFFAOYSA-N 1 3 317.477 2.534 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CSC2(C)C)[C@@H](C)C1 ZINC000338785127 427486978 /nfs/dbraw/zinc/48/69/78/427486978.db2.gz JMDLNFFNCCXSDA-KKUMJFAQSA-N 1 3 300.512 2.607 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000278158466 427422146 /nfs/dbraw/zinc/42/21/46/427422146.db2.gz ATJZPWONMPATNF-SOLBZPMBSA-N 1 3 312.461 2.981 20 0 DFADHO CC(C)CCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271301147 427487032 /nfs/dbraw/zinc/48/70/32/427487032.db2.gz SIHAQDZVVLAINY-FQEVSTJZSA-N 1 3 315.505 2.925 20 0 DFADHO CC(C)CCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271301147 427487035 /nfs/dbraw/zinc/48/70/35/427487035.db2.gz SIHAQDZVVLAINY-FQEVSTJZSA-N 1 3 315.505 2.925 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CSC2(C)C)[C@@H](C)C1 ZINC000338785127 427486986 /nfs/dbraw/zinc/48/69/86/427486986.db2.gz JMDLNFFNCCXSDA-KKUMJFAQSA-N 1 3 300.512 2.607 20 0 DFADHO COc1cc(CNC2CC[NH+](C3CC3)CC2)c2ccccc2n1 ZINC000297681510 427425954 /nfs/dbraw/zinc/42/59/54/427425954.db2.gz PHQPNRXTTDASRO-UHFFFAOYSA-N 1 3 311.429 2.960 20 0 DFADHO C[C@@H]1C[C@H](NCCc2cc(C(F)(F)F)ccn2)CC[N@@H+]1C ZINC000293755409 427426691 /nfs/dbraw/zinc/42/66/91/427426691.db2.gz QRCDMKIUTYXMHL-BXUZGUMPSA-N 1 3 301.356 2.715 20 0 DFADHO C[C@@H]1C[C@H](NCCc2cc(C(F)(F)F)ccn2)CC[N@H+]1C ZINC000293755409 427426696 /nfs/dbraw/zinc/42/66/96/427426696.db2.gz QRCDMKIUTYXMHL-BXUZGUMPSA-N 1 3 301.356 2.715 20 0 DFADHO CC(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297691303 427430012 /nfs/dbraw/zinc/43/00/12/427430012.db2.gz PWEKEJJNNAKFFK-YJBOKZPZSA-N 1 3 303.450 2.701 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000293779565 427431503 /nfs/dbraw/zinc/43/15/03/427431503.db2.gz QBDWMIDZMICMHU-MISYRCLQSA-N 1 3 315.505 2.971 20 0 DFADHO COC(=O)c1csc([C@H](C)NCC2(C)CC[NH+](C)CC2)c1 ZINC000286132137 427432303 /nfs/dbraw/zinc/43/23/03/427432303.db2.gz OARYJOOTGHFSMT-LBPRGKRZSA-N 1 3 310.463 2.917 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]CC2=CCN(C)CC2)c(C)c1OC ZINC000286156735 427439454 /nfs/dbraw/zinc/43/94/54/427439454.db2.gz PDHDRAYTTBDNGV-AWEZNQCLSA-N 1 3 318.461 2.795 20 0 DFADHO C[C@H](CNC(=O)[C@@H](C)[C@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000263239638 427444386 /nfs/dbraw/zinc/44/43/86/427444386.db2.gz FSLMCLLMOKPMIM-RYRKJORJSA-N 1 3 317.477 2.559 20 0 DFADHO CC1(C)C[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])c2cc(N)ccc2O1 ZINC000332190389 427539261 /nfs/dbraw/zinc/53/92/61/427539261.db2.gz CIWFSRHFFLBLTJ-WQVCFCJDSA-N 1 3 303.450 2.978 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCCN2C)cc1 ZINC000263697687 427545445 /nfs/dbraw/zinc/54/54/45/427545445.db2.gz RPJLDLVNFMPDRR-GOSISDBHSA-N 1 3 317.477 2.743 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCCN2C)cc1 ZINC000263697687 427545450 /nfs/dbraw/zinc/54/54/50/427545450.db2.gz RPJLDLVNFMPDRR-GOSISDBHSA-N 1 3 317.477 2.743 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)[C@H](C)C1 ZINC000271456831 427545621 /nfs/dbraw/zinc/54/56/21/427545621.db2.gz GWCOQPRFNKDVLN-BYCMXARLSA-N 1 3 314.832 2.832 20 0 DFADHO C[C@@H](CO)CCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000271461109 427547618 /nfs/dbraw/zinc/54/76/18/427547618.db2.gz HLXPDLGVEWKGTC-CVEARBPZSA-N 1 3 308.466 2.686 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)ccn1 ZINC000294307402 427618468 /nfs/dbraw/zinc/61/84/68/427618468.db2.gz VOLLDYQHJOBLIW-KSZLIROESA-N 1 3 313.445 2.598 20 0 DFADHO C[C@H]1COCC[C@@H]1[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000192520714 427558004 /nfs/dbraw/zinc/55/80/04/427558004.db2.gz LQNJHXHICZXZCA-YOEHRIQHSA-N 1 3 308.491 2.975 20 0 DFADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000298326912 427572071 /nfs/dbraw/zinc/57/20/71/427572071.db2.gz VIJLCLWRMXNQKE-WFASDCNBSA-N 1 3 316.367 2.813 20 0 DFADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308280 427573740 /nfs/dbraw/zinc/57/37/40/427573740.db2.gz CVEKPHOUQDBTRH-CVEARBPZSA-N 1 3 313.449 2.650 20 0 DFADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308280 427573748 /nfs/dbraw/zinc/57/37/48/427573748.db2.gz CVEKPHOUQDBTRH-CVEARBPZSA-N 1 3 313.449 2.650 20 0 DFADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308280 427573752 /nfs/dbraw/zinc/57/37/52/427573752.db2.gz CVEKPHOUQDBTRH-CVEARBPZSA-N 1 3 313.449 2.650 20 0 DFADHO CN(C)C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298334748 427575108 /nfs/dbraw/zinc/57/51/08/427575108.db2.gz IZAWFTVSQYYDRX-FQEVSTJZSA-N 1 3 324.472 2.943 20 0 DFADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc2c(c1)CC(=O)N2C ZINC000271826978 427588671 /nfs/dbraw/zinc/58/86/71/427588671.db2.gz OUXGGCPUQUOUSA-RHSMWYFYSA-N 1 3 315.461 2.731 20 0 DFADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc2c(c1)CC(=O)N2C ZINC000271826980 427589776 /nfs/dbraw/zinc/58/97/76/427589776.db2.gz OUXGGCPUQUOUSA-WMLDXEAASA-N 1 3 315.461 2.731 20 0 DFADHO COc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1O ZINC000298437556 427609078 /nfs/dbraw/zinc/60/90/78/427609078.db2.gz NGWFFDWXWPWTAK-UHFFFAOYSA-N 1 3 313.401 2.554 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000192921363 427634298 /nfs/dbraw/zinc/63/42/98/427634298.db2.gz ZNQLFWZCYAKVGK-HOJAQTOUSA-N 1 3 315.505 2.828 20 0 DFADHO c1nn2ccccc2c1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192928248 427636470 /nfs/dbraw/zinc/63/64/70/427636470.db2.gz LAWSXPSMKKPDFU-GOSISDBHSA-N 1 3 320.440 2.946 20 0 DFADHO CC(C)N(CC[NH2+]C1CCN(c2ccncc2)CC1)C(C)C ZINC000298530676 427639618 /nfs/dbraw/zinc/63/96/18/427639618.db2.gz SCUYFSLLUKCMSS-UHFFFAOYSA-N 1 3 304.482 2.759 20 0 DFADHO CC(C)[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCCC1 ZINC000298558836 427648935 /nfs/dbraw/zinc/64/89/35/427648935.db2.gz VRCBKFDJLVLOLJ-LJQANCHMSA-N 1 3 316.493 2.760 20 0 DFADHO CN(C)CCN1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000192999656 427649602 /nfs/dbraw/zinc/64/96/02/427649602.db2.gz HQYNGIHXYPEKJH-UHFFFAOYSA-N 1 3 301.887 2.517 20 0 DFADHO CCn1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000272146957 427649574 /nfs/dbraw/zinc/64/95/74/427649574.db2.gz CMACAWYQOZICSQ-APWZRJJASA-N 1 3 312.461 2.903 20 0 DFADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000342719173 272046100 /nfs/dbraw/zinc/04/61/00/272046100.db2.gz AHZSVWNTFVKSBX-SFHVURJKSA-N 1 3 320.477 2.922 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)[C@H]1CCCO1 ZINC000342812194 272056675 /nfs/dbraw/zinc/05/66/75/272056675.db2.gz JSSHGOPDVVTOQJ-HNAYVOBHSA-N 1 3 318.461 2.817 20 0 DFADHO CC[NH+](CC)CC1CCN([C@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000343581921 272176741 /nfs/dbraw/zinc/17/67/41/272176741.db2.gz PJRHCRQZEKENEI-OAHLLOKOSA-N 1 3 311.514 2.734 20 0 DFADHO C[C@@H](CN[C@@H](C)c1cccc(-n2ccnn2)c1)C[NH+]1CCCC1 ZINC000287708797 427675607 /nfs/dbraw/zinc/67/56/07/427675607.db2.gz NZWJNEAVWZNGNS-HOTGVXAUSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)CN1CCCC1 ZINC000287708797 427675616 /nfs/dbraw/zinc/67/56/16/427675616.db2.gz NZWJNEAVWZNGNS-HOTGVXAUSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@@H]([NH2+]CC1=CCCOC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272218239 427676193 /nfs/dbraw/zinc/67/61/93/427676193.db2.gz RMJYHPVYMQDUOI-VQIMIIECSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@@H](NCC1=CCCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272218239 427676199 /nfs/dbraw/zinc/67/61/99/427676199.db2.gz RMJYHPVYMQDUOI-VQIMIIECSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@@H](NCC1=CCCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272218239 427676204 /nfs/dbraw/zinc/67/62/04/427676204.db2.gz RMJYHPVYMQDUOI-VQIMIIECSA-N 1 3 300.446 2.833 20 0 DFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000343641144 272191052 /nfs/dbraw/zinc/19/10/52/272191052.db2.gz NXUQHLQVBQUJLU-ZWKOTPCHSA-N 1 3 321.509 2.774 20 0 DFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000343641144 272191053 /nfs/dbraw/zinc/19/10/53/272191053.db2.gz NXUQHLQVBQUJLU-ZWKOTPCHSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H]1CCC[C@H](C[N@@H+]2CCN(C3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000343720489 272207598 /nfs/dbraw/zinc/20/75/98/272207598.db2.gz VFRVHNIEIONIPF-SQNIBIBYSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCC[C@H](C[N@H+]2CCN(C3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000343720489 272207601 /nfs/dbraw/zinc/20/76/01/272207601.db2.gz VFRVHNIEIONIPF-SQNIBIBYSA-N 1 3 307.526 2.913 20 0 DFADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000344070463 272256656 /nfs/dbraw/zinc/25/66/56/272256656.db2.gz SMUYZBZXZMCGJD-ZHCJQAHYSA-N 1 3 312.498 2.525 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272278112 427696575 /nfs/dbraw/zinc/69/65/75/427696575.db2.gz CMJONURMUSGRDS-LCLWPZTBSA-N 1 3 315.505 2.969 20 0 DFADHO CC[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C1(C(=O)OC)CCC1 ZINC000272341624 427713752 /nfs/dbraw/zinc/71/37/52/427713752.db2.gz BTNDGYKGELZUGE-QGZVFWFLSA-N 1 3 318.461 2.960 20 0 DFADHO [NH3+]CCCOC1CCN(CCSCc2ccccc2)CC1 ZINC000339409004 427769803 /nfs/dbraw/zinc/76/98/03/427769803.db2.gz VVUWUOKAOZKQJE-UHFFFAOYSA-N 1 3 308.491 2.750 20 0 DFADHO c1ccc(C[N@H+]2CC[C@H]3CN(CCOCC4CC4)C[C@H]3C2)cc1 ZINC000336713824 427749379 /nfs/dbraw/zinc/74/93/79/427749379.db2.gz NRZVKIUZBOWVJX-VQTJNVASSA-N 1 3 314.473 2.867 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@H]3CN(CCOCC4CC4)C[C@H]3C2)cc1 ZINC000336713824 427749383 /nfs/dbraw/zinc/74/93/83/427749383.db2.gz NRZVKIUZBOWVJX-VQTJNVASSA-N 1 3 314.473 2.867 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H]2Cc2ccccc2)CC1 ZINC000337257675 427825926 /nfs/dbraw/zinc/82/59/26/427825926.db2.gz UKSDCDGRMYEWPS-FQEVSTJZSA-N 1 3 315.505 2.720 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H]2Cc2ccccc2)CC1 ZINC000337257675 427825930 /nfs/dbraw/zinc/82/59/30/427825930.db2.gz UKSDCDGRMYEWPS-FQEVSTJZSA-N 1 3 315.505 2.720 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H]1CCCOc2cc(F)ccc21 ZINC000349663492 427839418 /nfs/dbraw/zinc/83/94/18/427839418.db2.gz KDRANPDXQQEWDW-KRWDZBQOSA-N 1 3 324.440 2.987 20 0 DFADHO CCc1cnccc1[C@@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000337312024 427839469 /nfs/dbraw/zinc/83/94/69/427839469.db2.gz DKZQJWZPBSOZRE-QGZVFWFLSA-N 1 3 318.509 2.711 20 0 DFADHO Cc1cnc([C@@H](C)NCCCN2CC[NH+](C(C)C)CC2)s1 ZINC000337312036 427839750 /nfs/dbraw/zinc/83/97/50/427839750.db2.gz DLPGSXIKSBPPBL-OAHLLOKOSA-N 1 3 310.511 2.518 20 0 DFADHO Cc1ccc(C(C)(C)[NH2+]CCCN2CCN(C(C)C)CC2)cn1 ZINC000337314890 427839863 /nfs/dbraw/zinc/83/98/63/427839863.db2.gz IQQQWNOOZCXERU-UHFFFAOYSA-N 1 3 318.509 2.631 20 0 DFADHO CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000337335757 427850020 /nfs/dbraw/zinc/85/00/20/427850020.db2.gz LSNKLHLXHRUEIM-MRXNPFEDSA-N 1 3 320.477 2.546 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@]1(C)CCCO1 ZINC000340459209 427852104 /nfs/dbraw/zinc/85/21/04/427852104.db2.gz CNGCEQASDPKQGD-QAPCUYQASA-N 1 3 306.450 2.674 20 0 DFADHO Cc1nccnc1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000340488153 427861613 /nfs/dbraw/zinc/86/16/13/427861613.db2.gz AMTLDENKAUZCEH-UHFFFAOYSA-N 1 3 302.466 2.714 20 0 DFADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(CC[NH+](C)C)CC1 ZINC000340636834 427910865 /nfs/dbraw/zinc/91/08/65/427910865.db2.gz ZHTPIGAZEHJDNX-BBWFWOEESA-N 1 3 323.525 2.543 20 0 DFADHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)[C@]1(C)CCCO1 ZINC000340212677 427955270 /nfs/dbraw/zinc/95/52/70/427955270.db2.gz IZVFGBZUAHCAME-QAPCUYQASA-N 1 3 306.450 2.674 20 0 DFADHO CC[C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)N(CC)CC ZINC000345990231 427977250 /nfs/dbraw/zinc/97/72/50/427977250.db2.gz YMOXGIQJYAAQER-KRWDZBQOSA-N 1 3 321.465 2.686 20 0 DFADHO C[C@H]1[C@@H]([NH2+]CC2=CCN(C)CC2)CCCN1Cc1ccccc1 ZINC000340314542 427984119 /nfs/dbraw/zinc/98/41/19/427984119.db2.gz DVJCMEYLKCNNAL-PXNSSMCTSA-N 1 3 313.489 2.891 20 0 DFADHO C[NH+](C)CCC1CCN([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359614378 427935909 /nfs/dbraw/zinc/93/59/09/427935909.db2.gz VAPVAEHFCGJXIW-KRWDZBQOSA-N 1 3 323.525 2.687 20 0 DFADHO CN1CC[C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340175495 427945284 /nfs/dbraw/zinc/94/52/84/427945284.db2.gz LDADMSDUDJXNRP-KPFFTGBYSA-N 1 3 313.489 2.896 20 0 DFADHO CN1CC[C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340175494 427945469 /nfs/dbraw/zinc/94/54/69/427945469.db2.gz LDADMSDUDJXNRP-IMFGXOCKSA-N 1 3 313.489 2.896 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCCC1)c1ccc(C(=O)OC)cc1 ZINC000340179751 427948012 /nfs/dbraw/zinc/94/80/12/427948012.db2.gz HDMLHOYFCRQGMI-QGZVFWFLSA-N 1 3 304.434 3.000 20 0 DFADHO CC(C)N(C)CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000359641221 427949482 /nfs/dbraw/zinc/94/94/82/427949482.db2.gz MVQXSNUGZQDNRG-HKUYNNGSSA-N 1 3 318.509 2.612 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000340914158 427951312 /nfs/dbraw/zinc/95/13/12/427951312.db2.gz LVBQHLAJPDFFTL-HZPDHXFCSA-N 1 3 317.481 2.667 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000340914158 427951318 /nfs/dbraw/zinc/95/13/18/427951318.db2.gz LVBQHLAJPDFFTL-HZPDHXFCSA-N 1 3 317.481 2.667 20 0 DFADHO CC[NH+]1CCC(N(C)Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346144343 428036847 /nfs/dbraw/zinc/03/68/47/428036847.db2.gz FHZQJARJURRESJ-UHFFFAOYSA-N 1 3 304.463 2.850 20 0 DFADHO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCN(C)Cc1ccc(F)cc1 ZINC000359850523 428046866 /nfs/dbraw/zinc/04/68/66/428046866.db2.gz AUHNPRRQXGMPGH-LPHOPBHVSA-N 1 3 319.468 2.816 20 0 DFADHO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CCN(C)Cc1ccc(F)cc1 ZINC000359850523 428046870 /nfs/dbraw/zinc/04/68/70/428046870.db2.gz AUHNPRRQXGMPGH-LPHOPBHVSA-N 1 3 319.468 2.816 20 0 DFADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)(C)n1cncn1 ZINC000377086789 428055023 /nfs/dbraw/zinc/05/50/23/428055023.db2.gz PMPQAMIWJLXTSP-HNNXBMFYSA-N 1 3 319.497 2.788 20 0 DFADHO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)C(C)(C)n1cncn1 ZINC000377086789 428055026 /nfs/dbraw/zinc/05/50/26/428055026.db2.gz PMPQAMIWJLXTSP-HNNXBMFYSA-N 1 3 319.497 2.788 20 0 DFADHO COC(C)(C)CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000346279708 428106342 /nfs/dbraw/zinc/10/63/42/428106342.db2.gz NJCSUVYLZAXGMY-HOTGVXAUSA-N 1 3 312.498 2.623 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)c1 ZINC000370017837 428111516 /nfs/dbraw/zinc/11/15/16/428111516.db2.gz KYNJIHCJTCYRAH-NVXWUHKLSA-N 1 3 301.434 2.561 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)c1 ZINC000370017837 428111521 /nfs/dbraw/zinc/11/15/21/428111521.db2.gz KYNJIHCJTCYRAH-NVXWUHKLSA-N 1 3 301.434 2.561 20 0 DFADHO CN1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@H]1c1ccccc1 ZINC000377358321 428113761 /nfs/dbraw/zinc/11/37/61/428113761.db2.gz NCVYLYLYVCSZKI-DZJYIKFMSA-N 1 3 313.489 2.894 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+](C)CCc1ccc2c(c1)OCCO2 ZINC000360027361 428121928 /nfs/dbraw/zinc/12/19/28/428121928.db2.gz IIYPDJZUVUSOGV-KRWDZBQOSA-N 1 3 318.461 2.807 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCc1ccc2c(c1)OCCO2 ZINC000360027361 428121933 /nfs/dbraw/zinc/12/19/33/428121933.db2.gz IIYPDJZUVUSOGV-KRWDZBQOSA-N 1 3 318.461 2.807 20 0 DFADHO COc1cc(CN(CCC[NH3+])CC2CCCC2)cc2c1OCO2 ZINC000352534074 428139815 /nfs/dbraw/zinc/13/98/15/428139815.db2.gz CUWCCKYNTPYAPE-UHFFFAOYSA-N 1 3 320.433 2.765 20 0 DFADHO CSC1(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000377540865 428152541 /nfs/dbraw/zinc/15/25/41/428152541.db2.gz KNKLTYPSVMKOMD-GJZGRUSLSA-N 1 3 312.523 2.703 20 0 DFADHO CCC[NH+]1CCC(N(C)C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000360104561 428164225 /nfs/dbraw/zinc/16/42/25/428164225.db2.gz MDXQJMQTHOUQHZ-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO C[N@H+](CC[C@@H]1CCCO1)[C@H]1CCCN(CC[C@@H]2CCCO2)CC1 ZINC000346424555 428166089 /nfs/dbraw/zinc/16/60/89/428166089.db2.gz CTIATEXLQDMEDU-FHWLQOOXSA-N 1 3 324.509 2.911 20 0 DFADHO C[N@@H+](CC[C@@H]1CCCO1)[C@H]1CCCN(CC[C@@H]2CCCO2)CC1 ZINC000346424555 428166094 /nfs/dbraw/zinc/16/60/94/428166094.db2.gz CTIATEXLQDMEDU-FHWLQOOXSA-N 1 3 324.509 2.911 20 0 DFADHO CN(CC[C@@H]1CCCO1)[C@H]1CCC[N@H+](CC[C@@H]2CCCO2)CC1 ZINC000346424555 428166097 /nfs/dbraw/zinc/16/60/97/428166097.db2.gz CTIATEXLQDMEDU-FHWLQOOXSA-N 1 3 324.509 2.911 20 0 DFADHO CN(CC[C@@H]1CCCO1)[C@H]1CCC[N@@H+](CC[C@@H]2CCCO2)CC1 ZINC000346424555 428166102 /nfs/dbraw/zinc/16/61/02/428166102.db2.gz CTIATEXLQDMEDU-FHWLQOOXSA-N 1 3 324.509 2.911 20 0 DFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000341739640 428175091 /nfs/dbraw/zinc/17/50/91/428175091.db2.gz BDEFFAUKQDTYQO-YJBOKZPZSA-N 1 3 315.461 2.809 20 0 DFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000341739640 428175093 /nfs/dbraw/zinc/17/50/93/428175093.db2.gz BDEFFAUKQDTYQO-YJBOKZPZSA-N 1 3 315.461 2.809 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000414103092 428206016 /nfs/dbraw/zinc/20/60/16/428206016.db2.gz NGLQUZAFPOOXBR-NVXWUHKLSA-N 1 3 305.466 2.731 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000414103092 428206020 /nfs/dbraw/zinc/20/60/20/428206020.db2.gz NGLQUZAFPOOXBR-NVXWUHKLSA-N 1 3 305.466 2.731 20 0 DFADHO COc1ccc(C[C@H](C)NC2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000414096507 428206518 /nfs/dbraw/zinc/20/65/18/428206518.db2.gz OQSSMKRGEWCOII-AWEZNQCLSA-N 1 3 305.466 2.874 20 0 DFADHO CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC[C@@H]1CCCC[N@@H+]1C ZINC000370495683 428222406 /nfs/dbraw/zinc/22/24/06/428222406.db2.gz BQTFCUJODHVGQL-RCCFBDPRSA-N 1 3 321.509 2.726 20 0 DFADHO CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC[C@@H]1CCCC[N@H+]1C ZINC000370495683 428222412 /nfs/dbraw/zinc/22/24/12/428222412.db2.gz BQTFCUJODHVGQL-RCCFBDPRSA-N 1 3 321.509 2.726 20 0 DFADHO Cc1nnc([C@@H]2CC23CC[NH+](CC[C@@H]2CCCCN2C)CC3)o1 ZINC000370496218 428223087 /nfs/dbraw/zinc/22/30/87/428223087.db2.gz LSECVOZCYAMNBU-HOTGVXAUSA-N 1 3 318.465 2.822 20 0 DFADHO CC1CC[NH+](CC2CCN(CCO[C@@H]3CCCCO3)CC2)CC1 ZINC000370497252 428225884 /nfs/dbraw/zinc/22/58/84/428225884.db2.gz BFBPMVMIMCBMDM-LJQANCHMSA-N 1 3 324.509 2.974 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CCCC(CC)(CC)CC2)CC1 ZINC000346485062 428191956 /nfs/dbraw/zinc/19/19/56/428191956.db2.gz KKDZGZAFOWQMPK-UHFFFAOYSA-N 1 3 323.525 2.879 20 0 DFADHO CCCC[NH+]1CCC(N[C@@H](C)Cc2ccc(OC)nc2)CC1 ZINC000414078492 428198973 /nfs/dbraw/zinc/19/89/73/428198973.db2.gz RBDAIJNXEYKZKE-HNNXBMFYSA-N 1 3 305.466 2.875 20 0 DFADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cccc(OCc2ccccn2)c1 ZINC000346693182 428277140 /nfs/dbraw/zinc/27/71/40/428277140.db2.gz LFHJBKKWOIZOLX-NVXWUHKLSA-N 1 3 311.429 2.830 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000352855613 428282248 /nfs/dbraw/zinc/28/22/48/428282248.db2.gz TVYBCNJZKCPXFF-HKUYNNGSSA-N 1 3 307.526 2.986 20 0 DFADHO Cc1nn(-c2cccc(F)c2)cc1CNCC1=CC[N@H+](C)CC1 ZINC000414441391 428298172 /nfs/dbraw/zinc/29/81/72/428298172.db2.gz YSVUVZFTYLVURI-UHFFFAOYSA-N 1 3 314.408 2.671 20 0 DFADHO Cc1nn(-c2cccc(F)c2)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000414441391 428298177 /nfs/dbraw/zinc/29/81/77/428298177.db2.gz YSVUVZFTYLVURI-UHFFFAOYSA-N 1 3 314.408 2.671 20 0 DFADHO C[C@H](O)CCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352813495 428260049 /nfs/dbraw/zinc/26/00/49/428260049.db2.gz BTEZGRNWRXFXSJ-PKOBYXMFSA-N 1 3 302.462 2.745 20 0 DFADHO C[C@H](O)CCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352813495 428260051 /nfs/dbraw/zinc/26/00/51/428260051.db2.gz BTEZGRNWRXFXSJ-PKOBYXMFSA-N 1 3 302.462 2.745 20 0 DFADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000370637669 428260329 /nfs/dbraw/zinc/26/03/29/428260329.db2.gz VNYHSZXXYMEGEO-WMZOPIPTSA-N 1 3 301.478 2.814 20 0 DFADHO C[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)N1[C@H](C)CC[C@H]1C ZINC000370909756 428319406 /nfs/dbraw/zinc/31/94/06/428319406.db2.gz VKOFDANSSPGWMW-VQHPVUNQSA-N 1 3 321.509 2.723 20 0 DFADHO C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)N1[C@H](C)CC[C@H]1C ZINC000370909756 428319409 /nfs/dbraw/zinc/31/94/09/428319409.db2.gz VKOFDANSSPGWMW-VQHPVUNQSA-N 1 3 321.509 2.723 20 0 DFADHO C[C@@H](C(=O)N1CCCc2cc(C[NH3+])ccc21)N1CCCCCC1 ZINC000378188307 428329049 /nfs/dbraw/zinc/32/90/49/428329049.db2.gz RKNCUTLBGHXNRA-HNNXBMFYSA-N 1 3 315.461 2.689 20 0 DFADHO CCCc1cc(N2CCN(C[C@H](C)O)CC2)c2ccccc2[nH+]1 ZINC000302371101 273623788 /nfs/dbraw/zinc/62/37/88/273623788.db2.gz FHQCWZNUFGWLOU-HNNXBMFYSA-N 1 3 313.445 2.690 20 0 DFADHO Cc1nn(C(C)(C)C)c(C)c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346832605 428336765 /nfs/dbraw/zinc/33/67/65/428336765.db2.gz LPPJGWASZSFCHY-USXIJHARSA-N 1 3 304.482 2.814 20 0 DFADHO Cn1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccccc2)n1 ZINC000346838359 428340611 /nfs/dbraw/zinc/34/06/11/428340611.db2.gz XBGVGBWUUKMSQP-CGTJXYLNSA-N 1 3 310.445 2.646 20 0 DFADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000414728108 428388660 /nfs/dbraw/zinc/38/86/60/428388660.db2.gz CADXRCGJVLKTDR-HOTGVXAUSA-N 1 3 303.450 2.711 20 0 DFADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000414728108 428388665 /nfs/dbraw/zinc/38/86/65/428388665.db2.gz CADXRCGJVLKTDR-HOTGVXAUSA-N 1 3 303.450 2.711 20 0 DFADHO CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@H]1CCCNC1 ZINC000346987352 428396546 /nfs/dbraw/zinc/39/65/46/428396546.db2.gz SJJKPNMDFUJLLR-SFHVURJKSA-N 1 3 316.493 2.620 20 0 DFADHO CC[N@@H+](CC1CCN(c2ccccn2)CC1)C[C@H]1CCCNC1 ZINC000346987352 428396550 /nfs/dbraw/zinc/39/65/50/428396550.db2.gz SJJKPNMDFUJLLR-SFHVURJKSA-N 1 3 316.493 2.620 20 0 DFADHO [NH3+]C[C@H]1CN(Cc2coc3ccccc23)CC12CCOCC2 ZINC000414772866 428402327 /nfs/dbraw/zinc/40/23/27/428402327.db2.gz CQZGONHLCUEEIJ-HNNXBMFYSA-N 1 3 300.402 2.620 20 0 DFADHO c1cc(-c2n[nH]cc2CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000414774166 428402405 /nfs/dbraw/zinc/40/24/05/428402405.db2.gz YIFZSVTYXGAALG-BETUJISGSA-N 1 3 302.447 2.570 20 0 DFADHO Cc1oc2ccccc2c1CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784287 428407141 /nfs/dbraw/zinc/40/71/41/428407141.db2.gz RCTARTWBDTXNOF-HNNXBMFYSA-N 1 3 314.429 2.929 20 0 DFADHO Cc1oc2ccccc2c1C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414784287 428407146 /nfs/dbraw/zinc/40/71/46/428407146.db2.gz RCTARTWBDTXNOF-HNNXBMFYSA-N 1 3 314.429 2.929 20 0 DFADHO Cc1oc2ccccc2c1C[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414784287 428407151 /nfs/dbraw/zinc/40/71/51/428407151.db2.gz RCTARTWBDTXNOF-HNNXBMFYSA-N 1 3 314.429 2.929 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000347025732 428410099 /nfs/dbraw/zinc/41/00/99/428410099.db2.gz OKQKYEMEYDYGGN-MRXNPFEDSA-N 1 3 319.493 2.744 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1CN ZINC000414794149 428412505 /nfs/dbraw/zinc/41/25/05/428412505.db2.gz FHDSCWPHMDAQMJ-LXZKKBNFSA-N 1 3 303.450 2.683 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000414794149 428412513 /nfs/dbraw/zinc/41/25/13/428412513.db2.gz FHDSCWPHMDAQMJ-LXZKKBNFSA-N 1 3 303.450 2.683 20 0 DFADHO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCN(C)C[C@H]2C)cc1F ZINC000360589408 428359611 /nfs/dbraw/zinc/35/96/11/428359611.db2.gz QRZYTUGJMUIWPO-DYVFJYSZSA-N 1 3 316.424 2.750 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)cc1F ZINC000360589408 428359616 /nfs/dbraw/zinc/35/96/16/428359616.db2.gz QRZYTUGJMUIWPO-DYVFJYSZSA-N 1 3 316.424 2.750 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1F ZINC000360589408 428359622 /nfs/dbraw/zinc/35/96/22/428359622.db2.gz QRZYTUGJMUIWPO-DYVFJYSZSA-N 1 3 316.424 2.750 20 0 DFADHO CCc1ccccc1NC(=O)CN(C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414674784 428370262 /nfs/dbraw/zinc/37/02/62/428370262.db2.gz FDOHMAPNCBTVSJ-GJZGRUSLSA-N 1 3 303.450 2.507 20 0 DFADHO CC(C)[NH+](CCN(C)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)C(C)C ZINC000357048338 428372634 /nfs/dbraw/zinc/37/26/34/428372634.db2.gz CTPYNXKVBBRWTE-ZACQAIPSSA-N 1 3 311.514 2.825 20 0 DFADHO Cc1cccc(C)c1NC(=O)CN(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414680123 428373704 /nfs/dbraw/zinc/37/37/04/428373704.db2.gz SQPZRDHHCJXAAI-CVEARBPZSA-N 1 3 303.450 2.562 20 0 DFADHO Cc1cccc(C)c1NC(=O)CN(C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414680129 428373864 /nfs/dbraw/zinc/37/38/64/428373864.db2.gz SQPZRDHHCJXAAI-JKSUJKDBSA-N 1 3 303.450 2.562 20 0 DFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2CC2CCCCC2)C1 ZINC000414687776 428375970 /nfs/dbraw/zinc/37/59/70/428375970.db2.gz IBGRHJAZYPZDFO-QZTJIDSGSA-N 1 3 321.509 2.619 20 0 DFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2CC2CCCCC2)C1 ZINC000414687776 428375975 /nfs/dbraw/zinc/37/59/75/428375975.db2.gz IBGRHJAZYPZDFO-QZTJIDSGSA-N 1 3 321.509 2.619 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@@H]2CCCNC2)cc1F ZINC000414860841 428436648 /nfs/dbraw/zinc/43/66/48/428436648.db2.gz VZSKIZJCXXDCHX-OFQRWUPVSA-N 1 3 308.441 2.991 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000357225747 428443355 /nfs/dbraw/zinc/44/33/55/428443355.db2.gz BLKSBECMQJIWDK-RLLQIKCJSA-N 1 3 315.505 2.828 20 0 DFADHO CS[C@H](CO)[C@H](C)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357228211 428443602 /nfs/dbraw/zinc/44/36/02/428443602.db2.gz FPRLUPWSEOYUQV-CWLKWCNXSA-N 1 3 322.518 2.599 20 0 DFADHO CS[C@H](CO)[C@H](C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357228211 428443608 /nfs/dbraw/zinc/44/36/08/428443608.db2.gz FPRLUPWSEOYUQV-CWLKWCNXSA-N 1 3 322.518 2.599 20 0 DFADHO CCC[NH+]1CCC(NC2CC(O)(Cc3cccc(F)c3)C2)CC1 ZINC000372414564 428445898 /nfs/dbraw/zinc/44/58/98/428445898.db2.gz BWNNAMRPGKZVDO-UHFFFAOYSA-N 1 3 320.452 2.726 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+]C[C@@]2(C)CCCNC2)cc1O ZINC000414899244 428449401 /nfs/dbraw/zinc/44/94/01/428449401.db2.gz CIUIDACSYLBBMW-KSSFIOAISA-N 1 3 306.450 2.701 20 0 DFADHO CC(C)c1ccc(NC(=O)C[C@@H](C)NC[C@H]2CC[NH2+]C2)cc1 ZINC000414902846 428451777 /nfs/dbraw/zinc/45/17/77/428451777.db2.gz HTENBXDRVQCEDG-CABCVRRESA-N 1 3 303.450 2.726 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@H](NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000414902365 428452373 /nfs/dbraw/zinc/45/23/73/428452373.db2.gz HFMUECPDORAXIN-NEWSRXKRSA-N 1 3 301.478 2.801 20 0 DFADHO C[C@@H](Cc1ccc(Br)cc1F)NC[C@@H]1CC[NH2+]C1 ZINC000414918407 428457597 /nfs/dbraw/zinc/45/75/97/428457597.db2.gz UDENQJNBCWEXBJ-WDEREUQCSA-N 1 3 315.230 2.718 20 0 DFADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2ccccc2Cl)CC1 ZINC000414932098 428461996 /nfs/dbraw/zinc/46/19/96/428461996.db2.gz QQVKZTXMHMGDQZ-KSSFIOAISA-N 1 3 321.896 2.892 20 0 DFADHO CC[NH2+][C@H](C)CNC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414935863 428462388 /nfs/dbraw/zinc/46/23/88/428462388.db2.gz BBKPKELRMZUEJS-CQSZACIVSA-N 1 3 309.885 2.892 20 0 DFADHO CCN[C@H](C)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414935863 428462393 /nfs/dbraw/zinc/46/23/93/428462393.db2.gz BBKPKELRMZUEJS-CQSZACIVSA-N 1 3 309.885 2.892 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2ccccc2Cl)CC1 ZINC000414932076 428464024 /nfs/dbraw/zinc/46/40/24/428464024.db2.gz QQVKZTXMHMGDQZ-KDOFPFPSSA-N 1 3 321.896 2.892 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414945540 428464496 /nfs/dbraw/zinc/46/44/96/428464496.db2.gz RUQURMMYKLQPFK-KCQAQPDRSA-N 1 3 323.868 2.953 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414945540 428464499 /nfs/dbraw/zinc/46/44/99/428464499.db2.gz RUQURMMYKLQPFK-KCQAQPDRSA-N 1 3 323.868 2.953 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414945539 428464850 /nfs/dbraw/zinc/46/48/50/428464850.db2.gz RUQURMMYKLQPFK-IPYPFGDCSA-N 1 3 323.868 2.953 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCNC[C@H]1C ZINC000414945539 428464854 /nfs/dbraw/zinc/46/48/54/428464854.db2.gz RUQURMMYKLQPFK-IPYPFGDCSA-N 1 3 323.868 2.953 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414947977 428466712 /nfs/dbraw/zinc/46/67/12/428466712.db2.gz LPLPTYHYFVJCCZ-NUEKZKHPSA-N 1 3 306.450 2.755 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414947977 428466716 /nfs/dbraw/zinc/46/67/16/428466716.db2.gz LPLPTYHYFVJCCZ-NUEKZKHPSA-N 1 3 306.450 2.755 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cc(Cl)c2c(c1)OCCO2 ZINC000414804353 428416684 /nfs/dbraw/zinc/41/66/84/428416684.db2.gz OQZDHBOVQQFAIQ-GXTWGEPZSA-N 1 3 310.825 2.718 20 0 DFADHO CCCC[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000414811915 428419291 /nfs/dbraw/zinc/41/92/91/428419291.db2.gz JUFFMVZCWDGYCC-HIFRSBDPSA-N 1 3 307.438 2.519 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@H]2CN)cc1O ZINC000414806438 428419938 /nfs/dbraw/zinc/41/99/38/428419938.db2.gz QHQGDRKHSCXGNS-BPUTZDHNSA-N 1 3 306.450 2.829 20 0 DFADHO CSc1cc2c(cc1CN[C@H]1CCCC[C@@H]1C[NH3+])OCCO2 ZINC000414812578 428422390 /nfs/dbraw/zinc/42/23/90/428422390.db2.gz XLWXOJRLMBZCGX-OCCSQVGLSA-N 1 3 322.474 2.787 20 0 DFADHO Clc1ccccc1CN1CCC(NC[C@H]2CCC[NH2+]2)CC1 ZINC000414821370 428424795 /nfs/dbraw/zinc/42/47/95/428424795.db2.gz CAVUKFVVLXMLOM-MRXNPFEDSA-N 1 3 307.869 2.646 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NC[C@H]1CCC[NH2+]C1 ZINC000414826822 428425783 /nfs/dbraw/zinc/42/57/83/428425783.db2.gz JREYPKDOFAMBPT-STQMWFEESA-N 1 3 309.841 2.646 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCCNC1 ZINC000414826822 428425789 /nfs/dbraw/zinc/42/57/89/428425789.db2.gz JREYPKDOFAMBPT-STQMWFEESA-N 1 3 309.841 2.646 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@@H](C)Cc1ccc(Br)cc1F ZINC000414831578 428428558 /nfs/dbraw/zinc/42/85/58/428428558.db2.gz DDYCXGOCLUWXOC-QWRGUYRKSA-N 1 3 317.246 2.964 20 0 DFADHO CSC1(C[NH2+]Cc2cnc3c(C)cccn23)CCN(C)CC1 ZINC000353204919 428429733 /nfs/dbraw/zinc/42/97/33/428429733.db2.gz DXPOAOMUJAJLPT-UHFFFAOYSA-N 1 3 318.490 2.560 20 0 DFADHO CSC1(CNCc2cnc3c(C)cccn23)CC[NH+](C)CC1 ZINC000353204919 428429740 /nfs/dbraw/zinc/42/97/40/428429740.db2.gz DXPOAOMUJAJLPT-UHFFFAOYSA-N 1 3 318.490 2.560 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414838515 428429731 /nfs/dbraw/zinc/42/97/31/428429731.db2.gz WYVCYCTXAYOTQN-KGLIPLIRSA-N 1 3 323.868 2.955 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCNC2)cc1Cl ZINC000414838515 428429735 /nfs/dbraw/zinc/42/97/35/428429735.db2.gz WYVCYCTXAYOTQN-KGLIPLIRSA-N 1 3 323.868 2.955 20 0 DFADHO CCOc1c(CNCC[C@H]2CCC[NH2+]C2)c(C)nn1CC(C)C ZINC000414853302 428433009 /nfs/dbraw/zinc/43/30/09/428433009.db2.gz RSMCVVOGFSQNLS-MRXNPFEDSA-N 1 3 322.497 2.726 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])CC(C)C)c(C)c1 ZINC000414851181 428433319 /nfs/dbraw/zinc/43/33/19/428433319.db2.gz OVGASWFVOZSACA-CVEARBPZSA-N 1 3 305.466 2.984 20 0 DFADHO CC(C)N1CCc2nc(CNC(C)(C)CCC[NH3+])sc2C1 ZINC000415011284 428487309 /nfs/dbraw/zinc/48/73/09/428487309.db2.gz HHVPOCYCIDKIJY-UHFFFAOYSA-N 1 3 310.511 2.517 20 0 DFADHO CCOc1c(OC)cc(CN2CCC(C[NH2+]C)CC2)cc1OC ZINC000347190938 428487465 /nfs/dbraw/zinc/48/74/65/428487465.db2.gz FMSXXFJKWZYRFX-UHFFFAOYSA-N 1 3 322.449 2.534 20 0 DFADHO CCCOc1ccc(CNC2CC[NH+](CCOC)CC2)c(C)c1 ZINC000353350460 428497699 /nfs/dbraw/zinc/49/76/99/428497699.db2.gz HOUFWHFTQNEXGS-UHFFFAOYSA-N 1 3 320.477 2.984 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NCCC[NH2+]C2CC2)c(C)c1 ZINC000415067920 428509090 /nfs/dbraw/zinc/50/90/90/428509090.db2.gz LQJZMDZWVHDAFQ-HNNXBMFYSA-N 1 3 303.450 2.752 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCNC2CC2)c(C)c1 ZINC000415067920 428509096 /nfs/dbraw/zinc/50/90/96/428509096.db2.gz LQJZMDZWVHDAFQ-HNNXBMFYSA-N 1 3 303.450 2.752 20 0 DFADHO NC[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000415067424 428509699 /nfs/dbraw/zinc/50/96/99/428509699.db2.gz PDYNMLNTBPSFQJ-IBGZPJMESA-N 1 3 301.478 2.758 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCc1nc(C)no1 ZINC000360957745 428511463 /nfs/dbraw/zinc/51/14/63/428511463.db2.gz MOJHKUSFTMHVQF-JKSUJKDBSA-N 1 3 308.470 2.801 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCCc1nc(C)no1 ZINC000360957745 428511467 /nfs/dbraw/zinc/51/14/67/428511467.db2.gz MOJHKUSFTMHVQF-JKSUJKDBSA-N 1 3 308.470 2.801 20 0 DFADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000415079163 428512246 /nfs/dbraw/zinc/51/22/46/428512246.db2.gz HSASFWCMPXOWOD-GJYPPUQNSA-N 1 3 316.493 2.727 20 0 DFADHO C[C@H]1CC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000397489854 428512685 /nfs/dbraw/zinc/51/26/85/428512685.db2.gz HHKCPTOOVSWZJH-FUHWJXTLSA-N 1 3 302.462 2.792 20 0 DFADHO c1cn(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)cn1 ZINC000415091664 428516202 /nfs/dbraw/zinc/51/62/02/428516202.db2.gz ZOOTZJMTIIDIDC-HSALFYBXSA-N 1 3 324.472 2.942 20 0 DFADHO Brc1ccc([C@H]2CCCN2CC2CC[NH2+]CC2)nc1 ZINC000415091146 428517073 /nfs/dbraw/zinc/51/70/73/428517073.db2.gz BTCLTFLECBJRIO-OAHLLOKOSA-N 1 3 324.266 2.981 20 0 DFADHO Cc1ccc(F)cc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415100560 428517858 /nfs/dbraw/zinc/51/78/58/428517858.db2.gz APNVTUUADNJSPC-ZWKOTPCHSA-N 1 3 306.425 2.852 20 0 DFADHO Cc1ccc(F)cc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415100559 428517961 /nfs/dbraw/zinc/51/79/61/428517961.db2.gz APNVTUUADNJSPC-ROUUACIJSA-N 1 3 306.425 2.852 20 0 DFADHO CCN1CCN(c2cccc(NC3CCC(C[NH3+])CC3)c2)CC1 ZINC000415104339 428520964 /nfs/dbraw/zinc/52/09/64/428520964.db2.gz KULTZRCIFQTMBQ-UHFFFAOYSA-N 1 3 316.493 2.758 20 0 DFADHO CCN1CCN(c2cccc(NC[C@H]([NH3+])CC(C)C)c2)CC1 ZINC000415107480 428521497 /nfs/dbraw/zinc/52/14/97/428521497.db2.gz OXRBYVFPMYXRHF-MRXNPFEDSA-N 1 3 304.482 2.614 20 0 DFADHO CN1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000353409259 428523088 /nfs/dbraw/zinc/52/30/88/428523088.db2.gz WEVRBGMBFVVXJC-COXVUDFISA-N 1 3 310.388 2.806 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOc2ccc(F)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000353409259 428523094 /nfs/dbraw/zinc/52/30/94/428523094.db2.gz WEVRBGMBFVVXJC-COXVUDFISA-N 1 3 310.388 2.806 20 0 DFADHO C[N@H+]1CC[C@H](NCCOc2ccc(F)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000353409259 428523099 /nfs/dbraw/zinc/52/30/99/428523099.db2.gz WEVRBGMBFVVXJC-COXVUDFISA-N 1 3 310.388 2.806 20 0 DFADHO COCCSCCC[N@@H+]1CCC[C@H](CN2CCCCC2)C1 ZINC000373246954 428525516 /nfs/dbraw/zinc/52/55/16/428525516.db2.gz PWNVFNLGJXBWGQ-QGZVFWFLSA-N 1 3 314.539 2.954 20 0 DFADHO COCCSCCC[N@H+]1CCC[C@H](CN2CCCCC2)C1 ZINC000373246954 428525522 /nfs/dbraw/zinc/52/55/22/428525522.db2.gz PWNVFNLGJXBWGQ-QGZVFWFLSA-N 1 3 314.539 2.954 20 0 DFADHO Cc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1F ZINC000415121214 428526433 /nfs/dbraw/zinc/52/64/33/428526433.db2.gz HRUDVRZOGSVMMT-FUHWJXTLSA-N 1 3 306.425 2.852 20 0 DFADHO CCN1CCN(c2cccc(NC[C@@H]3CC[NH2+][C@H](C)C3)c2)CC1 ZINC000415116173 428526597 /nfs/dbraw/zinc/52/65/97/428526597.db2.gz ZFEWNCKDTGKJBB-IAGOWNOFSA-N 1 3 316.493 2.629 20 0 DFADHO Cc1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1F ZINC000415121224 428527183 /nfs/dbraw/zinc/52/71/83/428527183.db2.gz HSYVLDKUSOWZTE-AEFFLSMTSA-N 1 3 306.425 2.852 20 0 DFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000390749343 428474022 /nfs/dbraw/zinc/47/40/22/428474022.db2.gz RPYJJUTWKGFSOZ-WBVHZDCISA-N 1 3 319.493 2.647 20 0 DFADHO CC[C@H](N)C[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000414976953 428476815 /nfs/dbraw/zinc/47/68/15/428476815.db2.gz IVSHDTKYQQTDBT-AWEZNQCLSA-N 1 3 305.447 2.857 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353530477 428582013 /nfs/dbraw/zinc/58/20/13/428582013.db2.gz SRBUXTNPPDOTMP-TWMKSMIVSA-N 1 3 318.461 2.925 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353530477 428582019 /nfs/dbraw/zinc/58/20/19/428582019.db2.gz SRBUXTNPPDOTMP-TWMKSMIVSA-N 1 3 318.461 2.925 20 0 DFADHO CC[NH+](CC)CCOc1ccccc1CNC1CCC(O)CC1 ZINC000353441576 428535864 /nfs/dbraw/zinc/53/58/64/428535864.db2.gz OCVBHQTWBAOMLO-UHFFFAOYSA-N 1 3 320.477 2.800 20 0 DFADHO C[C@H](CC[NH+](C)C)N[C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400467577 428546059 /nfs/dbraw/zinc/54/60/59/428546059.db2.gz WQBDYFZCKTZTKX-ILXRZTDVSA-N 1 3 313.486 2.704 20 0 DFADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)CN(C)C ZINC000400449741 428546387 /nfs/dbraw/zinc/54/63/87/428546387.db2.gz QNCQAYULRLBABF-QLFBSQMISA-N 1 3 313.486 2.562 20 0 DFADHO C[C@H](CN[C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)C[NH+](C)C ZINC000400449741 428546391 /nfs/dbraw/zinc/54/63/91/428546391.db2.gz QNCQAYULRLBABF-QLFBSQMISA-N 1 3 313.486 2.562 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1cccc(F)c1 ZINC000353460272 428549364 /nfs/dbraw/zinc/54/93/64/428549364.db2.gz KQDPKXVKBSSYCX-ZSYWTGECSA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1cccc(F)c1 ZINC000353460272 428549368 /nfs/dbraw/zinc/54/93/68/428549368.db2.gz KQDPKXVKBSSYCX-ZSYWTGECSA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)c1cccc(F)c1 ZINC000353460272 428549373 /nfs/dbraw/zinc/54/93/73/428549373.db2.gz KQDPKXVKBSSYCX-ZSYWTGECSA-N 1 3 319.468 2.891 20 0 DFADHO Brc1sccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401070449 428552063 /nfs/dbraw/zinc/55/20/63/428552063.db2.gz KCEZFJAFERBHJF-MVWJERBFSA-N 1 3 315.280 2.988 20 0 DFADHO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc(OCCN(C)C)c1 ZINC000353489791 428562088 /nfs/dbraw/zinc/56/20/88/428562088.db2.gz JYRZATCEKPUJGW-BEFAXECRSA-N 1 3 320.477 2.829 20 0 DFADHO CNC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000358266398 428594458 /nfs/dbraw/zinc/59/44/58/428594458.db2.gz MIPOBSPYOIIHKX-RANZSIQMSA-N 1 3 321.509 2.534 20 0 DFADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000358266398 428594461 /nfs/dbraw/zinc/59/44/61/428594461.db2.gz MIPOBSPYOIIHKX-RANZSIQMSA-N 1 3 321.509 2.534 20 0 DFADHO C[C@H](Cc1ccccc1)C[NH+]1CCC(OCCN(C)C)CC1 ZINC000347356478 428564040 /nfs/dbraw/zinc/56/40/40/428564040.db2.gz RDNUYSHLQRUVIS-QGZVFWFLSA-N 1 3 304.478 2.908 20 0 DFADHO CC(CN(C(C)C)[C@H]1CCOC1)C[N@H+](C(C)C)[C@H]1CCOC1 ZINC000361409490 428564676 /nfs/dbraw/zinc/56/46/76/428564676.db2.gz WDTRFMAUCTVLCF-ROUUACIJSA-N 1 3 312.498 2.621 20 0 DFADHO CC(CN(C(C)C)[C@H]1CCOC1)C[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000361409490 428564682 /nfs/dbraw/zinc/56/46/82/428564682.db2.gz WDTRFMAUCTVLCF-ROUUACIJSA-N 1 3 312.498 2.621 20 0 DFADHO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C[C@@H]1CC[NH2+]C1 ZINC000404334422 428565567 /nfs/dbraw/zinc/56/55/67/428565567.db2.gz BNYYXCOVGQISFU-MJQMVNBJSA-N 1 3 301.478 2.579 20 0 DFADHO C[N@@H+]1CC[C@H](NCCN2CCc3sccc3C2)[C@@H]2CCC[C@@H]21 ZINC000353501041 428566452 /nfs/dbraw/zinc/56/64/52/428566452.db2.gz HQHBDYYSQVWNPJ-ULQDDVLXSA-N 1 3 319.518 2.569 20 0 DFADHO C[N@H+]1CC[C@H](NCCN2CCc3sccc3C2)[C@@H]2CCC[C@@H]21 ZINC000353501041 428566457 /nfs/dbraw/zinc/56/64/57/428566457.db2.gz HQHBDYYSQVWNPJ-ULQDDVLXSA-N 1 3 319.518 2.569 20 0 DFADHO CNC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000358266396 428594552 /nfs/dbraw/zinc/59/45/52/428594552.db2.gz MIPOBSPYOIIHKX-BGTYHANMSA-N 1 3 321.509 2.534 20 0 DFADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000358266396 428594554 /nfs/dbraw/zinc/59/45/54/428594554.db2.gz MIPOBSPYOIIHKX-BGTYHANMSA-N 1 3 321.509 2.534 20 0 DFADHO CC[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C)c1 ZINC000353522959 428576634 /nfs/dbraw/zinc/57/66/34/428576634.db2.gz SZAZQMUDYZOOFA-MSOLQXFVSA-N 1 3 317.477 2.623 20 0 DFADHO CC[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C)c1 ZINC000353522959 428576636 /nfs/dbraw/zinc/57/66/36/428576636.db2.gz SZAZQMUDYZOOFA-MSOLQXFVSA-N 1 3 317.477 2.623 20 0 DFADHO C[C@@H](CC[S@@](C)=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000358407283 428598905 /nfs/dbraw/zinc/59/89/05/428598905.db2.gz TZNOBQUUQCPCCT-VBKZILBWSA-N 1 3 300.512 2.530 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415889705 428616775 /nfs/dbraw/zinc/61/67/75/428616775.db2.gz CFEWGOYYLBDBTG-CQSZACIVSA-N 1 3 318.465 2.574 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415889705 428616778 /nfs/dbraw/zinc/61/67/78/428616778.db2.gz CFEWGOYYLBDBTG-CQSZACIVSA-N 1 3 318.465 2.574 20 0 DFADHO CNCc1ccccc1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000415907264 428623284 /nfs/dbraw/zinc/62/32/84/428623284.db2.gz BAITWGOAFMWMOA-UHFFFAOYSA-N 1 3 318.465 2.840 20 0 DFADHO CCCCn1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c(C)n1 ZINC000353628702 428631457 /nfs/dbraw/zinc/63/14/57/428631457.db2.gz BWAZIROJPFGQDL-KSZLIROESA-N 1 3 304.482 2.954 20 0 DFADHO CNCc1cccc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000415958355 428635849 /nfs/dbraw/zinc/63/58/49/428635849.db2.gz LEUQVHNHCZTMCM-UHFFFAOYSA-N 1 3 318.465 2.650 20 0 DFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000362227451 428665452 /nfs/dbraw/zinc/66/54/52/428665452.db2.gz ZODNYMCXCKOIKN-ROUUACIJSA-N 1 3 323.525 2.687 20 0 DFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000362227451 428665455 /nfs/dbraw/zinc/66/54/55/428665455.db2.gz ZODNYMCXCKOIKN-ROUUACIJSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ccccc2F)C1 ZINC000293749554 274340543 /nfs/dbraw/zinc/34/05/43/274340543.db2.gz RFHKISSROWKPMY-KCYZZUKISA-N 1 3 305.441 2.723 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ccccc2F)C1 ZINC000293749554 274340544 /nfs/dbraw/zinc/34/05/44/274340544.db2.gz RFHKISSROWKPMY-KCYZZUKISA-N 1 3 305.441 2.723 20 0 DFADHO CN(C)[C@H](CC(=O)NC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000416248694 428699306 /nfs/dbraw/zinc/69/93/06/428699306.db2.gz TVULYHNWWLNKIV-QGZVFWFLSA-N 1 3 317.477 2.670 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@@H](O)COC(C)(C)C ZINC000348301221 428700977 /nfs/dbraw/zinc/70/09/77/428700977.db2.gz GBBOUIVIYZQEAY-BBWFWOEESA-N 1 3 314.514 2.653 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COC(C)(C)C ZINC000348301221 428700980 /nfs/dbraw/zinc/70/09/80/428700980.db2.gz GBBOUIVIYZQEAY-BBWFWOEESA-N 1 3 314.514 2.653 20 0 DFADHO Cc1cc(F)ccc1CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000374597120 428707139 /nfs/dbraw/zinc/70/71/39/428707139.db2.gz RUKSAZAMPDYYFK-MRXNPFEDSA-N 1 3 319.468 2.734 20 0 DFADHO Cc1cc(F)ccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000374597120 428707143 /nfs/dbraw/zinc/70/71/43/428707143.db2.gz RUKSAZAMPDYYFK-MRXNPFEDSA-N 1 3 319.468 2.734 20 0 DFADHO Cc1cc(F)ccc1CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374597120 428707145 /nfs/dbraw/zinc/70/71/45/428707145.db2.gz RUKSAZAMPDYYFK-MRXNPFEDSA-N 1 3 319.468 2.734 20 0 DFADHO CC(C)[C@H](c1nc(-c2ccc(CN(C)C)cc2)no1)[C@@H](C)[NH3+] ZINC000416398791 428731404 /nfs/dbraw/zinc/73/14/04/428731404.db2.gz FUFDNJGIUUDZQI-DOMZBBRYSA-N 1 3 302.422 2.885 20 0 DFADHO Clc1ccc(CCNC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000362297725 428693851 /nfs/dbraw/zinc/69/38/51/428693851.db2.gz DDEJBWBUJDYWSA-MRXNPFEDSA-N 1 3 322.880 2.973 20 0 DFADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCC3(O)CCOCC3)CC2)C1 ZINC000353866537 428753716 /nfs/dbraw/zinc/75/37/16/428753716.db2.gz MWCZHRARMQOSHP-WMZOPIPTSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCC3(O)CCOCC3)CC2)C1 ZINC000353866537 428753722 /nfs/dbraw/zinc/75/37/22/428753722.db2.gz MWCZHRARMQOSHP-WMZOPIPTSA-N 1 3 324.509 2.551 20 0 DFADHO CC(C)[C@H](NCCOCC[NH+](C)C)c1cc(F)ccc1F ZINC000358993343 428764221 /nfs/dbraw/zinc/76/42/21/428764221.db2.gz BBLAZUCFLDEIGH-INIZCTEOSA-N 1 3 300.393 2.830 20 0 DFADHO C[N@H+]1CC=C(CNCc2cnc(-c3ccncc3)s2)CC1 ZINC000345136319 428768741 /nfs/dbraw/zinc/76/87/41/428768741.db2.gz DXPYGRYECQTQEH-UHFFFAOYSA-N 1 3 300.431 2.557 20 0 DFADHO C[N@@H+]1CC=C(CNCc2cnc(-c3ccncc3)s2)CC1 ZINC000345136319 428768746 /nfs/dbraw/zinc/76/87/46/428768746.db2.gz DXPYGRYECQTQEH-UHFFFAOYSA-N 1 3 300.431 2.557 20 0 DFADHO C[C@@H]1C[C@@H]1CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000348561781 428787907 /nfs/dbraw/zinc/78/79/07/428787907.db2.gz YAOQXGCLVUDRDA-MISYRCLQSA-N 1 3 313.489 2.535 20 0 DFADHO C[C@@H]1C[C@@H]1CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000348561781 428787909 /nfs/dbraw/zinc/78/79/09/428787909.db2.gz YAOQXGCLVUDRDA-MISYRCLQSA-N 1 3 313.489 2.535 20 0 DFADHO Cc1ccccc1[C@@H](C)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411438106 428798336 /nfs/dbraw/zinc/79/83/36/428798336.db2.gz MIZDWUAGLCOYPD-MRXNPFEDSA-N 1 3 317.477 2.635 20 0 DFADHO C[C@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1O ZINC000411456181 428798983 /nfs/dbraw/zinc/79/89/83/428798983.db2.gz YWZMTACGGRYDPS-QFBILLFUSA-N 1 3 302.462 2.875 20 0 DFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCCCC1 ZINC000359067290 428802351 /nfs/dbraw/zinc/80/23/51/428802351.db2.gz VWXKEDKWJWRWRT-WMZOPIPTSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCCCC1 ZINC000359067290 428802357 /nfs/dbraw/zinc/80/23/57/428802357.db2.gz VWXKEDKWJWRWRT-WMZOPIPTSA-N 1 3 321.509 2.630 20 0 DFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000345251382 428815881 /nfs/dbraw/zinc/81/58/81/428815881.db2.gz QCGMRXPXLHLTJQ-BRWVUGGUSA-N 1 3 309.498 2.630 20 0 DFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000345251382 428815888 /nfs/dbraw/zinc/81/58/88/428815888.db2.gz QCGMRXPXLHLTJQ-BRWVUGGUSA-N 1 3 309.498 2.630 20 0 DFADHO Cc1csc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000359116747 428824922 /nfs/dbraw/zinc/82/49/22/428824922.db2.gz QUWUUNZJOWZZEN-JKSUJKDBSA-N 1 3 320.506 2.637 20 0 DFADHO Cc1csc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000359116747 428824928 /nfs/dbraw/zinc/82/49/28/428824928.db2.gz QUWUUNZJOWZZEN-JKSUJKDBSA-N 1 3 320.506 2.637 20 0 DFADHO Cc1csc(N2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)n1 ZINC000359116747 428824931 /nfs/dbraw/zinc/82/49/31/428824931.db2.gz QUWUUNZJOWZZEN-JKSUJKDBSA-N 1 3 320.506 2.637 20 0 DFADHO C[C@@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)[C@@H]1CO ZINC000411620006 428826170 /nfs/dbraw/zinc/82/61/70/428826170.db2.gz PJIDKLZSVOEUPN-VQIMIIECSA-N 1 3 302.462 2.875 20 0 DFADHO C[C@@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)[C@@H]1CO ZINC000411620006 428826174 /nfs/dbraw/zinc/82/61/74/428826174.db2.gz PJIDKLZSVOEUPN-VQIMIIECSA-N 1 3 302.462 2.875 20 0 DFADHO FC(F)(F)CCN1CCC([NH2+]CCCN2CCCCC2)CC1 ZINC000359120673 428827205 /nfs/dbraw/zinc/82/72/05/428827205.db2.gz ZGLXRJYJVZMPCM-UHFFFAOYSA-N 1 3 321.431 2.869 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000375229834 428827447 /nfs/dbraw/zinc/82/74/47/428827447.db2.gz POYJSAVQOQAWHL-VQIMIIECSA-N 1 3 310.445 2.707 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000375229834 428827449 /nfs/dbraw/zinc/82/74/49/428827449.db2.gz POYJSAVQOQAWHL-VQIMIIECSA-N 1 3 310.445 2.707 20 0 DFADHO CC1(C)CN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1O ZINC000411660872 428836683 /nfs/dbraw/zinc/83/66/83/428836683.db2.gz BANMIQZYHNOZER-SFHVURJKSA-N 1 3 302.462 2.875 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccccc2OC)C1 ZINC000354106963 428865809 /nfs/dbraw/zinc/86/58/09/428865809.db2.gz NCHJQGOXDKWRRN-QGZVFWFLSA-N 1 3 306.450 2.628 20 0 DFADHO C[C@@H]1C[C@H](O)CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411877932 428874414 /nfs/dbraw/zinc/87/44/14/428874414.db2.gz QXEUBRNLTQXFCW-APWZRJJASA-N 1 3 302.462 2.875 20 0 DFADHO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCCN(C)C ZINC000354133337 428878993 /nfs/dbraw/zinc/87/89/93/428878993.db2.gz DBYQGYXNBDJKCK-ZWKOTPCHSA-N 1 3 320.477 2.922 20 0 DFADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000354135686 428879893 /nfs/dbraw/zinc/87/98/93/428879893.db2.gz ZNOKUIIFDQLUJC-BDXSIMOUSA-N 1 3 312.498 2.671 20 0 DFADHO C[N@H+](C[C@@H](O)CN1C[C@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984835 428900803 /nfs/dbraw/zinc/90/08/03/428900803.db2.gz NGCDORXRBQWCIQ-RTBURBONSA-N 1 3 314.473 2.711 20 0 DFADHO C[N@@H+](C[C@@H](O)CN1C[C@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984835 428900805 /nfs/dbraw/zinc/90/08/05/428900805.db2.gz NGCDORXRBQWCIQ-RTBURBONSA-N 1 3 314.473 2.711 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000349034676 428905729 /nfs/dbraw/zinc/90/57/29/428905729.db2.gz FCOHKGKIJWVMFQ-AZUAARDMSA-N 1 3 315.505 2.748 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000349034676 428905732 /nfs/dbraw/zinc/90/57/32/428905732.db2.gz FCOHKGKIJWVMFQ-AZUAARDMSA-N 1 3 315.505 2.748 20 0 DFADHO CC1CCC(C[NH+]2CCC(CN3CCN(C)CC3)CC2)CC1 ZINC000349071801 428914408 /nfs/dbraw/zinc/91/44/08/428914408.db2.gz HWMAJZKPOFAXPO-UHFFFAOYSA-N 1 3 307.526 2.772 20 0 DFADHO CC(C)C[C@@H](CNC[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000354211698 428917287 /nfs/dbraw/zinc/91/72/87/428917287.db2.gz NMXCFJWKIRCLCR-OALUTQOASA-N 1 3 304.478 2.863 20 0 DFADHO COc1ccc([C@@H](O)[C@H]2CCC[N@@H+]2CCCN2CCCC2)cc1 ZINC000363458700 428918709 /nfs/dbraw/zinc/91/87/09/428918709.db2.gz ACZWXJRZPHURQK-RTBURBONSA-N 1 3 318.461 2.679 20 0 DFADHO COc1ccc([C@@H](O)[C@H]2CCC[N@H+]2CCCN2CCCC2)cc1 ZINC000363458700 428918713 /nfs/dbraw/zinc/91/87/13/428918713.db2.gz ACZWXJRZPHURQK-RTBURBONSA-N 1 3 318.461 2.679 20 0 DFADHO COc1ccc([C@H](O)[C@@H]2CCCN2CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000363460016 428919266 /nfs/dbraw/zinc/91/92/66/428919266.db2.gz VQJVBYHHHSGEKF-NEWSRXKRSA-N 1 3 318.461 2.677 20 0 DFADHO COc1ccc([C@H](O)[C@@H]2CCCN2CC[C@H]2CCC[N@H+]2C)cc1 ZINC000363460016 428919271 /nfs/dbraw/zinc/91/92/71/428919271.db2.gz VQJVBYHHHSGEKF-NEWSRXKRSA-N 1 3 318.461 2.677 20 0 DFADHO CC(C)c1nccn1C[C@@H]1CCCN1CC[C@H]1CCC[N@@H+]1C ZINC000363480356 428925845 /nfs/dbraw/zinc/92/58/45/428925845.db2.gz XIZSPMWSTLYNSC-SJORKVTESA-N 1 3 304.482 2.955 20 0 DFADHO CC(C)c1nccn1C[C@@H]1CCCN1CC[C@H]1CCC[N@H+]1C ZINC000363480356 428925850 /nfs/dbraw/zinc/92/58/50/428925850.db2.gz XIZSPMWSTLYNSC-SJORKVTESA-N 1 3 304.482 2.955 20 0 DFADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000349178792 428934304 /nfs/dbraw/zinc/93/43/04/428934304.db2.gz BNWPZPDBLMWPMI-VGSWGCGISA-N 1 3 320.502 2.588 20 0 DFADHO COc1cc(F)c([C@@H](C)NCCC2=CC[NH2+]CC2)cc1OC ZINC000423538621 428969114 /nfs/dbraw/zinc/96/91/14/428969114.db2.gz NPDGRVCOSZATPW-GFCCVEGCSA-N 1 3 308.397 2.803 20 0 DFADHO COc1cc(F)c([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000423536970 428969894 /nfs/dbraw/zinc/96/98/94/428969894.db2.gz BJZOSTTUSRZJMV-REWJHTLYSA-N 1 3 322.424 2.882 20 0 DFADHO CC1(C)CC([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1 ZINC000433280479 429018251 /nfs/dbraw/zinc/01/82/51/429018251.db2.gz CFJUOERXACAUFF-UHFFFAOYSA-N 1 3 302.462 2.922 20 0 DFADHO CN(C)C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423783071 429018449 /nfs/dbraw/zinc/01/84/49/429018449.db2.gz ZTKYVXDTQLWYQP-BPUTZDHNSA-N 1 3 323.868 2.576 20 0 DFADHO CN(C)C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423783073 429019165 /nfs/dbraw/zinc/01/91/65/429019165.db2.gz ZTKYVXDTQLWYQP-KBMXLJTQSA-N 1 3 323.868 2.576 20 0 DFADHO CCN(CCC[NH+](C)C)C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423798507 429022805 /nfs/dbraw/zinc/02/28/05/429022805.db2.gz PTCPBOSARWMHRM-INIZCTEOSA-N 1 3 305.466 2.513 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000423797556 429023350 /nfs/dbraw/zinc/02/33/50/429023350.db2.gz HXVLVSPADVOSPO-CGTJXYLNSA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000423797556 429023355 /nfs/dbraw/zinc/02/33/55/429023355.db2.gz HXVLVSPADVOSPO-CGTJXYLNSA-N 1 3 317.477 2.559 20 0 DFADHO C[N@@H+]1CC[C@H](NCC2([C@H](O)c3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000375802911 428978098 /nfs/dbraw/zinc/97/80/98/428978098.db2.gz XTWQZWVKUIVAIL-INDMIFKZSA-N 1 3 314.473 2.963 20 0 DFADHO C[N@H+]1CC[C@H](NCC2([C@H](O)c3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000375802911 428978104 /nfs/dbraw/zinc/97/81/04/428978104.db2.gz XTWQZWVKUIVAIL-INDMIFKZSA-N 1 3 314.473 2.963 20 0 DFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000354409428 428980561 /nfs/dbraw/zinc/98/05/61/428980561.db2.gz SLFLIVVDYIUAQE-ROUUACIJSA-N 1 3 323.525 2.878 20 0 DFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000354409428 428980566 /nfs/dbraw/zinc/98/05/66/428980566.db2.gz SLFLIVVDYIUAQE-ROUUACIJSA-N 1 3 323.525 2.878 20 0 DFADHO Cc1cc(C)cc([C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000375842564 428992664 /nfs/dbraw/zinc/99/26/64/428992664.db2.gz WAZHSCGEMGICIM-NCXUSEDFSA-N 1 3 302.462 2.799 20 0 DFADHO Cc1cc(C)cc([C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000375842564 428992669 /nfs/dbraw/zinc/99/26/69/428992669.db2.gz WAZHSCGEMGICIM-NCXUSEDFSA-N 1 3 302.462 2.799 20 0 DFADHO CON1CCC([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000421399053 428995311 /nfs/dbraw/zinc/99/53/11/428995311.db2.gz PJGFOIDWYGGSMB-QAPCUYQASA-N 1 3 309.498 2.645 20 0 DFADHO CON1CCC(NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000421399053 428995317 /nfs/dbraw/zinc/99/53/17/428995317.db2.gz PJGFOIDWYGGSMB-QAPCUYQASA-N 1 3 309.498 2.645 20 0 DFADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000433492936 429034232 /nfs/dbraw/zinc/03/42/32/429034232.db2.gz HHKHKJAKARNSBQ-IEBWSBKVSA-N 1 3 317.477 2.533 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423728453 429005233 /nfs/dbraw/zinc/00/52/33/429005233.db2.gz MSDVUUYQMADBGR-VVLHAWIVSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423728453 429005234 /nfs/dbraw/zinc/00/52/34/429005234.db2.gz MSDVUUYQMADBGR-VVLHAWIVSA-N 1 3 321.509 2.628 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000423750260 429009259 /nfs/dbraw/zinc/00/92/59/429009259.db2.gz XHVREILWFBFAQP-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO CCN(CCCN(C)C[C@@H]1CCC[N@H+](C)C1)CC(F)(F)F ZINC000354799127 429010152 /nfs/dbraw/zinc/01/01/52/429010152.db2.gz ZASXGVYQEPVLDF-CQSZACIVSA-N 1 3 309.420 2.534 20 0 DFADHO CCN(CCCN(C)C[C@@H]1CCC[N@@H+](C)C1)CC(F)(F)F ZINC000354799127 429010157 /nfs/dbraw/zinc/01/01/57/429010157.db2.gz ZASXGVYQEPVLDF-CQSZACIVSA-N 1 3 309.420 2.534 20 0 DFADHO COC[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000423462717 429090427 /nfs/dbraw/zinc/09/04/27/429090427.db2.gz DXHRNNSVDXVZFC-JQHSSLGASA-N 1 3 306.425 2.533 20 0 DFADHO COC[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000423462717 429090431 /nfs/dbraw/zinc/09/04/31/429090431.db2.gz DXHRNNSVDXVZFC-JQHSSLGASA-N 1 3 306.425 2.533 20 0 DFADHO Cc1c([C@H](C)NC[C@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccccc1 ZINC000423456806 429090505 /nfs/dbraw/zinc/09/05/05/429090505.db2.gz HGLNSQQGTZQWQU-BPUTZDHNSA-N 1 3 313.449 2.744 20 0 DFADHO CCN1CCC(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424145031 429097752 /nfs/dbraw/zinc/09/77/52/429097752.db2.gz YIILDYVFDHKPRA-MRXNPFEDSA-N 1 3 309.498 2.665 20 0 DFADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000433507247 429035737 /nfs/dbraw/zinc/03/57/37/429035737.db2.gz AQMFGSQQSOKQKR-BBRMVZONSA-N 1 3 323.868 2.548 20 0 DFADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000433507247 429035739 /nfs/dbraw/zinc/03/57/39/429035739.db2.gz AQMFGSQQSOKQKR-BBRMVZONSA-N 1 3 323.868 2.548 20 0 DFADHO C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000452005807 429037170 /nfs/dbraw/zinc/03/71/70/429037170.db2.gz KMCCIQXJGXYZOH-NVXWUHKLSA-N 1 3 317.477 2.668 20 0 DFADHO C[C@@H]1CCC(C)(C)[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000452005807 429037172 /nfs/dbraw/zinc/03/71/72/429037172.db2.gz KMCCIQXJGXYZOH-NVXWUHKLSA-N 1 3 317.477 2.668 20 0 DFADHO COc1cc(Cl)ccc1[C@@H](C)NCCOCC[NH+](C)C ZINC000421844746 429039173 /nfs/dbraw/zinc/03/91/73/429039173.db2.gz UNRFNHPHVGEKDZ-GFCCVEGCSA-N 1 3 300.830 2.577 20 0 DFADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423278039 429055526 /nfs/dbraw/zinc/05/55/26/429055526.db2.gz QKAYFJYRXGVGST-MLGOLLRUSA-N 1 3 304.438 2.604 20 0 DFADHO CC(C)[C@H]([NH3+])CN[C@@H]1CCc2cc(Br)ccc2C1 ZINC000423284119 429058147 /nfs/dbraw/zinc/05/81/47/429058147.db2.gz XTHNUNHCDILJBT-HUUCEWRRSA-N 1 3 311.267 2.879 20 0 DFADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423285253 429058734 /nfs/dbraw/zinc/05/87/34/429058734.db2.gz YYLHRNWUNOSTPJ-RRFJBIMHSA-N 1 3 319.449 2.519 20 0 DFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423285253 429058740 /nfs/dbraw/zinc/05/87/40/429058740.db2.gz YYLHRNWUNOSTPJ-RRFJBIMHSA-N 1 3 319.449 2.519 20 0 DFADHO CN1CCC[C@H]1CC[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452119523 429064638 /nfs/dbraw/zinc/06/46/38/429064638.db2.gz QGOXRLDBSXZEKR-AWEZNQCLSA-N 1 3 321.431 2.819 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452119523 429064640 /nfs/dbraw/zinc/06/46/40/429064640.db2.gz QGOXRLDBSXZEKR-AWEZNQCLSA-N 1 3 321.431 2.819 20 0 DFADHO CN(CC[C@@H]1CCC[N@@H+]1C)C1CCN(CCC(F)(F)F)CC1 ZINC000452119523 429064642 /nfs/dbraw/zinc/06/46/42/429064642.db2.gz QGOXRLDBSXZEKR-AWEZNQCLSA-N 1 3 321.431 2.819 20 0 DFADHO CN(CC[C@@H]1CCC[N@H+]1C)C1CCN(CCC(F)(F)F)CC1 ZINC000452119523 429064645 /nfs/dbraw/zinc/06/46/45/429064645.db2.gz QGOXRLDBSXZEKR-AWEZNQCLSA-N 1 3 321.431 2.819 20 0 DFADHO Brc1ccccc1C[C@H](NC[C@H]1CC[NH2+]C1)C1CC1 ZINC000423330772 429065169 /nfs/dbraw/zinc/06/51/69/429065169.db2.gz GGUPFVQOKODLRY-LRDDRELGSA-N 1 3 323.278 2.969 20 0 DFADHO C[C@@H](CNC(=O)[C@H](N)CC1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000423332802 429068699 /nfs/dbraw/zinc/06/86/99/429068699.db2.gz PKELQWFWOLQJEN-HLLBOEOZSA-N 1 3 309.498 2.663 20 0 DFADHO C[C@@H](CNC(=O)[C@H](N)CC1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000423332802 429068703 /nfs/dbraw/zinc/06/87/03/429068703.db2.gz PKELQWFWOLQJEN-HLLBOEOZSA-N 1 3 309.498 2.663 20 0 DFADHO CC(C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)C(F)(F)F ZINC000423978354 429069998 /nfs/dbraw/zinc/06/99/98/429069998.db2.gz LUVFFFUNBJFZHS-ZETCQYMHSA-N 1 3 307.341 2.747 20 0 DFADHO COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc3c(c1)CNC3)C2 ZINC000423369552 429073615 /nfs/dbraw/zinc/07/36/15/429073615.db2.gz FCOINKCXTXELBX-GOSISDBHSA-N 1 3 308.425 2.946 20 0 DFADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423407640 429080645 /nfs/dbraw/zinc/08/06/45/429080645.db2.gz WEDSDTQKGXMZCV-XFBWCDHKSA-N 1 3 323.278 2.894 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423403693 429080659 /nfs/dbraw/zinc/08/06/59/429080659.db2.gz XCUJUEWJPIZYHX-OAHLLOKOSA-N 1 3 323.440 2.821 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423403693 429080664 /nfs/dbraw/zinc/08/06/64/429080664.db2.gz XCUJUEWJPIZYHX-OAHLLOKOSA-N 1 3 323.440 2.821 20 0 DFADHO CC[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000423403164 429081574 /nfs/dbraw/zinc/08/15/74/429081574.db2.gz YZPSOUFQIKZWTC-DGCLKSJQSA-N 1 3 321.412 2.625 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H](CN)c1ccc2ccccc2c1 ZINC000423408383 429081788 /nfs/dbraw/zinc/08/17/88/429081788.db2.gz XJZXBPNWRIMWCO-XMCHAPAWSA-N 1 3 309.457 2.912 20 0 DFADHO Cc1ccsc1[C@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423400740 429081883 /nfs/dbraw/zinc/08/18/83/429081883.db2.gz XCQRYNASQZIVOT-NWDGAFQWSA-N 1 3 321.412 2.543 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423403678 429082244 /nfs/dbraw/zinc/08/22/44/429082244.db2.gz XCUJUEWJPIZYHX-HNNXBMFYSA-N 1 3 323.440 2.821 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423403678 429082246 /nfs/dbraw/zinc/08/22/46/429082246.db2.gz XCUJUEWJPIZYHX-HNNXBMFYSA-N 1 3 323.440 2.821 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423407638 429082288 /nfs/dbraw/zinc/08/22/88/429082288.db2.gz WEDSDTQKGXMZCV-LYRGGWFBSA-N 1 3 323.278 2.894 20 0 DFADHO Cc1cc(N)cc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423481252 429097664 /nfs/dbraw/zinc/09/76/64/429097664.db2.gz PZTXFLIEUHWGMK-QUCCMNQESA-N 1 3 323.440 2.923 20 0 DFADHO COc1cc(C)c(C[C@@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423501640 429101680 /nfs/dbraw/zinc/10/16/80/429101680.db2.gz BNIGKLDZCNOPMN-SPYBWZPUSA-N 1 3 320.477 2.860 20 0 DFADHO COc1ccc2c(c1)[C@H](N1C[C@@H](C)[C@](C)(C[NH3+])C1)CCCO2 ZINC000423502571 429102005 /nfs/dbraw/zinc/10/20/05/429102005.db2.gz CXTSLRSDBYNUNE-MZMPZRCHSA-N 1 3 304.434 2.826 20 0 DFADHO COc1ccc2c(c1)[C@H]([N@@H+]1C[C@@H](C)[C@](C)(CN)C1)CCCO2 ZINC000423502571 429102008 /nfs/dbraw/zinc/10/20/08/429102008.db2.gz CXTSLRSDBYNUNE-MZMPZRCHSA-N 1 3 304.434 2.826 20 0 DFADHO COc1ccc2c(c1)[C@H]([N@H+]1C[C@@H](C)[C@](C)(CN)C1)CCCO2 ZINC000423502571 429102010 /nfs/dbraw/zinc/10/20/10/429102010.db2.gz CXTSLRSDBYNUNE-MZMPZRCHSA-N 1 3 304.434 2.826 20 0 DFADHO COc1ccc2c(c1)[C@@H](N1C[C@@H](C)[C@](C)(C[NH3+])C1)CCCO2 ZINC000423502574 429102379 /nfs/dbraw/zinc/10/23/79/429102379.db2.gz CXTSLRSDBYNUNE-RPVQJOFSSA-N 1 3 304.434 2.826 20 0 DFADHO COc1ccc2c(c1)[C@@H]([N@@H+]1C[C@@H](C)[C@](C)(CN)C1)CCCO2 ZINC000423502574 429102382 /nfs/dbraw/zinc/10/23/82/429102382.db2.gz CXTSLRSDBYNUNE-RPVQJOFSSA-N 1 3 304.434 2.826 20 0 DFADHO COc1ccc2c(c1)[C@@H]([N@H+]1C[C@@H](C)[C@](C)(CN)C1)CCCO2 ZINC000423502574 429102386 /nfs/dbraw/zinc/10/23/86/429102386.db2.gz CXTSLRSDBYNUNE-RPVQJOFSSA-N 1 3 304.434 2.826 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1)C1CC1 ZINC000434704141 429106706 /nfs/dbraw/zinc/10/67/06/429106706.db2.gz XGPLKVGUPORYFQ-KBXCAEBGSA-N 1 3 315.461 2.541 20 0 DFADHO CC1(C)[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)[C@H]2CCCO[C@H]21 ZINC000423521168 429108943 /nfs/dbraw/zinc/10/89/43/429108943.db2.gz FYBHTDBQWUFMOA-FDYAQTJCSA-N 1 3 318.505 2.933 20 0 DFADHO CC1(C)[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@H]2CCCO[C@H]21 ZINC000423521168 429108945 /nfs/dbraw/zinc/10/89/45/429108945.db2.gz FYBHTDBQWUFMOA-FDYAQTJCSA-N 1 3 318.505 2.933 20 0 DFADHO COC[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)C1CCCC1 ZINC000423532069 429111361 /nfs/dbraw/zinc/11/13/61/429111361.db2.gz UKFFGNHAXLNGCT-ZOAJIZILSA-N 1 3 306.494 2.935 20 0 DFADHO COC[C@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)C1CCCC1 ZINC000423532069 429111365 /nfs/dbraw/zinc/11/13/65/429111365.db2.gz UKFFGNHAXLNGCT-ZOAJIZILSA-N 1 3 306.494 2.935 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C(C)C)N2CCCCC2)c1 ZINC000424252745 429115092 /nfs/dbraw/zinc/11/50/92/429115092.db2.gz ZHSSOAZVKGVCJK-QGZVFWFLSA-N 1 3 303.450 2.903 20 0 DFADHO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424277784 429117776 /nfs/dbraw/zinc/11/77/76/429117776.db2.gz AVJHAQOIUZYFOS-IAGOWNOFSA-N 1 3 317.477 2.673 20 0 DFADHO C[C@@H]1CC2(CN1Cc1nc3cccnc3s1)CC[NH2+]CC2 ZINC000424295961 429121354 /nfs/dbraw/zinc/12/13/54/429121354.db2.gz RTQIIZIZKORHBH-GFCCVEGCSA-N 1 3 302.447 2.655 20 0 DFADHO Cc1cccc(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1C ZINC000424302507 429122701 /nfs/dbraw/zinc/12/27/01/429122701.db2.gz ZRNROZUIYVGNIE-OAHLLOKOSA-N 1 3 315.461 2.706 20 0 DFADHO CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000435331565 429130747 /nfs/dbraw/zinc/13/07/47/429130747.db2.gz IBXAKPCTYVYYJK-KSZLIROESA-N 1 3 323.525 2.878 20 0 DFADHO CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000435331565 429130751 /nfs/dbraw/zinc/13/07/51/429130751.db2.gz IBXAKPCTYVYYJK-KSZLIROESA-N 1 3 323.525 2.878 20 0 DFADHO CCN(Cc1cc(-n2ccnc2)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000435392500 429138987 /nfs/dbraw/zinc/13/89/87/429138987.db2.gz WTSXABFVVFEWCF-CQSZACIVSA-N 1 3 304.463 2.898 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363922269 429141675 /nfs/dbraw/zinc/14/16/75/429141675.db2.gz NZPXLQXOLGSQQG-YESZJQIVSA-N 1 3 315.461 2.929 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363922269 429141678 /nfs/dbraw/zinc/14/16/78/429141678.db2.gz NZPXLQXOLGSQQG-YESZJQIVSA-N 1 3 315.461 2.929 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(C/C=C\c2ccncc2)C1 ZINC000494958413 429166382 /nfs/dbraw/zinc/16/63/82/429166382.db2.gz VYTMLMKIWGGUOT-XFHJGTJQSA-N 1 3 303.450 2.528 20 0 DFADHO C(=C/c1ccncc1)\CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000494970070 429168010 /nfs/dbraw/zinc/16/80/10/429168010.db2.gz BWCXWPGPKFIQJB-ONEGZZNKSA-N 1 3 315.461 2.672 20 0 DFADHO c1ccc([C@@H]2OCC[C@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000191858125 275068427 /nfs/dbraw/zinc/06/84/27/275068427.db2.gz HWUKPECPGOSWPY-OKYOBFRVSA-N 1 3 300.446 2.981 20 0 DFADHO c1ccc([C@@H]2OCC[C@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000191858125 275068428 /nfs/dbraw/zinc/06/84/28/275068428.db2.gz HWUKPECPGOSWPY-OKYOBFRVSA-N 1 3 300.446 2.981 20 0 DFADHO CC1(C)NC(=O)CC[C@@H]1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000495069360 429174951 /nfs/dbraw/zinc/17/49/51/429174951.db2.gz SBLFXAIAHKQULK-SJORKVTESA-N 1 3 321.509 2.678 20 0 DFADHO CC1(C)NC(=O)CC[C@@H]1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000495069360 429174954 /nfs/dbraw/zinc/17/49/54/429174954.db2.gz SBLFXAIAHKQULK-SJORKVTESA-N 1 3 321.509 2.678 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000436297776 429195395 /nfs/dbraw/zinc/19/53/95/429195395.db2.gz NXPUSLGUIHFJMD-MNEFBYGVSA-N 1 3 305.510 2.856 20 0 DFADHO C[C@@H]1C[C@@H](N(C)CC(C)(C)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495393012 429205681 /nfs/dbraw/zinc/20/56/81/429205681.db2.gz JNHODAZMLJYGPQ-KGLIPLIRSA-N 1 3 313.486 2.704 20 0 DFADHO C[C@@H]1C[C@@H](N(C)CC(C)(C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495393012 429205684 /nfs/dbraw/zinc/20/56/84/429205684.db2.gz JNHODAZMLJYGPQ-KGLIPLIRSA-N 1 3 313.486 2.704 20 0 DFADHO CCN1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449090774 429330041 /nfs/dbraw/zinc/33/00/41/429330041.db2.gz ODPAEZWHEDGPMX-CQSZACIVSA-N 1 3 316.424 2.658 20 0 DFADHO COc1cc(C)ccc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000449103797 429332115 /nfs/dbraw/zinc/33/21/15/429332115.db2.gz RZWCYXDBZIRVPJ-IRXDYDNUSA-N 1 3 320.477 2.983 20 0 DFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000449107603 429335303 /nfs/dbraw/zinc/33/53/03/429335303.db2.gz MZXJAFZHKZCSHQ-DLBZAZTESA-N 1 3 319.493 2.950 20 0 DFADHO Cc1cnn(CCCCCN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365535746 429337024 /nfs/dbraw/zinc/33/70/24/429337024.db2.gz IFCQRCPFSWOYTA-CEXWTWQISA-N 1 3 316.493 2.778 20 0 DFADHO Cc1cnn(CCCCCN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365535746 429337028 /nfs/dbraw/zinc/33/70/28/429337028.db2.gz IFCQRCPFSWOYTA-CEXWTWQISA-N 1 3 316.493 2.778 20 0 DFADHO CC(C)N1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000457084831 429397360 /nfs/dbraw/zinc/39/73/60/429397360.db2.gz GWFOMZCMFNLKFK-ZWKOTPCHSA-N 1 3 321.509 2.725 20 0 DFADHO CC(C)N1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000457084831 429397364 /nfs/dbraw/zinc/39/73/64/429397364.db2.gz GWFOMZCMFNLKFK-ZWKOTPCHSA-N 1 3 321.509 2.725 20 0 DFADHO c1ccc(CN2C[C@@H]3[C@H]([NH2+]CC4=CCOCC4)CC[C@@H]3C2)cc1 ZINC000449402730 429405814 /nfs/dbraw/zinc/40/58/14/429405814.db2.gz NDBMAXUSWHFTHN-HSALFYBXSA-N 1 3 312.457 2.833 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3[C@H](NCC4=CCOCC4)CC[C@@H]3C2)cc1 ZINC000449402730 429405819 /nfs/dbraw/zinc/40/58/19/429405819.db2.gz NDBMAXUSWHFTHN-HSALFYBXSA-N 1 3 312.457 2.833 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3[C@H](NCC4=CCOCC4)CC[C@@H]3C2)cc1 ZINC000449402730 429405823 /nfs/dbraw/zinc/40/58/23/429405823.db2.gz NDBMAXUSWHFTHN-HSALFYBXSA-N 1 3 312.457 2.833 20 0 DFADHO C[C@H](Cc1ccoc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000449182870 429350930 /nfs/dbraw/zinc/35/09/30/429350930.db2.gz DCZMJIZFZQZQPV-FHLIZLRMSA-N 1 3 306.450 2.568 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)CN(C)C ZINC000425951318 429353541 /nfs/dbraw/zinc/35/35/41/429353541.db2.gz MMDBPBMAOJCWFS-GJZGRUSLSA-N 1 3 303.450 2.662 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCc3c[nH]nc3C2)CC1 ZINC000513336710 429362929 /nfs/dbraw/zinc/36/29/29/429362929.db2.gz ZQJOAINFGOGLAJ-DKSSEZFCSA-N 1 3 316.493 2.900 20 0 DFADHO Cc1cc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)cs1 ZINC000449324163 429387629 /nfs/dbraw/zinc/38/76/29/429387629.db2.gz CWXNYEILORNATO-AWEZNQCLSA-N 1 3 307.507 2.657 20 0 DFADHO Cc1cc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)cs1 ZINC000449324163 429387632 /nfs/dbraw/zinc/38/76/32/429387632.db2.gz CWXNYEILORNATO-AWEZNQCLSA-N 1 3 307.507 2.657 20 0 DFADHO [NH2+]=C(NC[C@H]1CCCN1CCc1ccccc1)Nc1ccccn1 ZINC000365858463 429389732 /nfs/dbraw/zinc/38/97/32/429389732.db2.gz BRCVGPOESVJNLM-QGZVFWFLSA-N 1 3 323.444 2.725 20 0 DFADHO Cc1ccccc1-n1cc(CNC(C)(C)CCC[NH+](C)C)nn1 ZINC000449529789 429446757 /nfs/dbraw/zinc/44/67/57/429446757.db2.gz ZWJCFSLIOLUTPI-UHFFFAOYSA-N 1 3 315.465 2.786 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCN[C@@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000519110499 429448723 /nfs/dbraw/zinc/44/87/23/429448723.db2.gz AGVKMLNWJKMJGI-GOEBONIOSA-N 1 3 305.470 2.748 20 0 DFADHO C[N@H+]1CCC[C@@H](CCN[C@@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000519110499 429448726 /nfs/dbraw/zinc/44/87/26/429448726.db2.gz AGVKMLNWJKMJGI-GOEBONIOSA-N 1 3 305.470 2.748 20 0 DFADHO C[C@H](Cc1cnn(C)c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449582680 429455592 /nfs/dbraw/zinc/45/55/92/429455592.db2.gz GXHXVZUUOJSAOU-GPMSIDNRSA-N 1 3 318.509 2.984 20 0 DFADHO C[C@H](Cc1cnn(C)c1)[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000449582680 429455597 /nfs/dbraw/zinc/45/55/97/429455597.db2.gz GXHXVZUUOJSAOU-GPMSIDNRSA-N 1 3 318.509 2.984 20 0 DFADHO CCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)COC1 ZINC000449601385 429460149 /nfs/dbraw/zinc/46/01/49/429460149.db2.gz RJJIUQGBXYKEEO-GBESFXJTSA-N 1 3 314.473 2.913 20 0 DFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC000426773604 429415864 /nfs/dbraw/zinc/41/58/64/429415864.db2.gz PZIVBBYZEVKJPH-OAHLLOKOSA-N 1 3 305.466 2.598 20 0 DFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC000426773604 429415870 /nfs/dbraw/zinc/41/58/70/429415870.db2.gz PZIVBBYZEVKJPH-OAHLLOKOSA-N 1 3 305.466 2.598 20 0 DFADHO CC1CCN(c2ccc(CN[C@H]3CCC[C@H]([NH3+])C3)cn2)CC1 ZINC000519613777 429471525 /nfs/dbraw/zinc/47/15/25/429471525.db2.gz NDTGYGSAISFFPW-IRXDYDNUSA-N 1 3 302.466 2.677 20 0 DFADHO COc1cccc(N2CCC([NH2+]CC3=CCN(C)CC3)CC2)c1 ZINC000366690489 429494503 /nfs/dbraw/zinc/49/45/03/429494503.db2.gz AWFWNNOWQNJSMN-UHFFFAOYSA-N 1 3 315.461 2.516 20 0 DFADHO CN1CC=C(C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000366692762 429495982 /nfs/dbraw/zinc/49/59/82/429495982.db2.gz DYQWFHCYQIQMSS-IBGZPJMESA-N 1 3 313.489 2.891 20 0 DFADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000366794395 429516931 /nfs/dbraw/zinc/51/69/31/429516931.db2.gz ZPWSKGCRAWQASC-IXDOHACOSA-N 1 3 304.482 2.768 20 0 DFADHO CC(C)N1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449844641 429523380 /nfs/dbraw/zinc/52/33/80/429523380.db2.gz XBUPYLZQIWPHSW-SFHVURJKSA-N 1 3 321.509 2.726 20 0 DFADHO CC(C)N1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449844641 429523384 /nfs/dbraw/zinc/52/33/84/429523384.db2.gz XBUPYLZQIWPHSW-SFHVURJKSA-N 1 3 321.509 2.726 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000521369579 429549228 /nfs/dbraw/zinc/54/92/28/429549228.db2.gz AJUQYQZGHUOLID-LSDHHAIUSA-N 1 3 302.397 2.679 20 0 DFADHO C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCN(C2CC2)C1 ZINC000521972471 429572504 /nfs/dbraw/zinc/57/25/04/429572504.db2.gz ZCQRYFPBJAEEHZ-MRXNPFEDSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CCN(C2CC2)C1 ZINC000521972471 429572508 /nfs/dbraw/zinc/57/25/08/429572508.db2.gz ZCQRYFPBJAEEHZ-MRXNPFEDSA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000524156125 429620061 /nfs/dbraw/zinc/62/00/61/429620061.db2.gz KYTDKZNUHXXCNA-IRXDYDNUSA-N 1 3 323.525 2.828 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000524156125 429620063 /nfs/dbraw/zinc/62/00/63/429620063.db2.gz KYTDKZNUHXXCNA-IRXDYDNUSA-N 1 3 323.525 2.828 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000450427805 429623971 /nfs/dbraw/zinc/62/39/71/429623971.db2.gz GJBREPLAHYBAQG-AOIWGVFYSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000450427805 429623976 /nfs/dbraw/zinc/62/39/76/429623976.db2.gz GJBREPLAHYBAQG-AOIWGVFYSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@H]1CCN(CC[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000524771156 429634018 /nfs/dbraw/zinc/63/40/18/429634018.db2.gz LWVHFXMAFOTFQG-KRWDZBQOSA-N 1 3 301.478 2.582 20 0 DFADHO CCc1ccc2nccc(N3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)c2c1 ZINC000450314184 429597657 /nfs/dbraw/zinc/59/76/57/429597657.db2.gz TYBADJJRNUJTIP-LSDHHAIUSA-N 1 3 313.445 2.689 20 0 DFADHO CCc1ccc2nccc(N3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)c2c1 ZINC000450314184 429597658 /nfs/dbraw/zinc/59/76/58/429597658.db2.gz TYBADJJRNUJTIP-LSDHHAIUSA-N 1 3 313.445 2.689 20 0 DFADHO CCN(Cc1ccc(C(=O)NC(CC)(CC)C[NH3+])cc1)C1CC1 ZINC000429369127 429602798 /nfs/dbraw/zinc/60/27/98/429602798.db2.gz ZBCUIOBIQTVAQI-UHFFFAOYSA-N 1 3 317.477 2.918 20 0 DFADHO CCN(Cc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1)C1CC1 ZINC000429409170 429608114 /nfs/dbraw/zinc/60/81/14/429608114.db2.gz QXTQYODCCSTFTK-UHFFFAOYSA-N 1 3 315.461 2.672 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCC2=CCCCC2)CC1 ZINC000450388739 429613883 /nfs/dbraw/zinc/61/38/83/429613883.db2.gz JEATUSFGRVYNGT-LJQANCHMSA-N 1 3 305.510 2.979 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CN1CCN(CCC2=CCCCC2)CC1 ZINC000450388739 429613887 /nfs/dbraw/zinc/61/38/87/429613887.db2.gz JEATUSFGRVYNGT-LJQANCHMSA-N 1 3 305.510 2.979 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@H]1CCCCC1(F)F ZINC000450598604 429659262 /nfs/dbraw/zinc/65/92/62/429659262.db2.gz JQAACYVRXLWARL-KLHDSHLOSA-N 1 3 316.436 2.995 20 0 DFADHO CC1(C)CCC[C@@H]([NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000353667285 276107933 /nfs/dbraw/zinc/10/79/33/276107933.db2.gz CAYJMCQPHBKKBI-MRXNPFEDSA-N 1 3 309.498 2.537 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H]2COC3(CCC(C)CC3)O2)[C@H](C)C1 ZINC000245558917 276229877 /nfs/dbraw/zinc/22/98/77/276229877.db2.gz HIYPJTFJUOXKLO-FQBRJNOBSA-N 1 3 310.482 2.628 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H]2COC3(CCC(C)CC3)O2)[C@H](C)C1 ZINC000245558917 276229878 /nfs/dbraw/zinc/22/98/78/276229878.db2.gz HIYPJTFJUOXKLO-FQBRJNOBSA-N 1 3 310.482 2.628 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430552732 429689674 /nfs/dbraw/zinc/68/96/74/429689674.db2.gz KOEGACFXGPYZCM-KBPBESRZSA-N 1 3 307.413 2.522 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367606542 429684850 /nfs/dbraw/zinc/68/48/50/429684850.db2.gz KATHSVPRGHYXMV-FDPIWHGQSA-N 1 3 318.461 2.925 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367606542 429684853 /nfs/dbraw/zinc/68/48/53/429684853.db2.gz KATHSVPRGHYXMV-FDPIWHGQSA-N 1 3 318.461 2.925 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@H]1CCN(CC)C[C@H]1C)c1ccco1 ZINC000246936790 276340624 /nfs/dbraw/zinc/34/06/24/276340624.db2.gz HKJAGIGKZUXYTG-IXDOHACOSA-N 1 3 307.482 2.982 20 0 DFADHO CC[N@H+](CCC1CCN([C@H]2CCCCNC2=O)CC1)CC(C)C ZINC000358739076 276343025 /nfs/dbraw/zinc/34/30/25/276343025.db2.gz DXJMWOXDEAUACE-SFHVURJKSA-N 1 3 323.525 2.735 20 0 DFADHO CC[N@@H+](CCC1CCN([C@H]2CCCCNC2=O)CC1)CC(C)C ZINC000358739076 276343026 /nfs/dbraw/zinc/34/30/26/276343026.db2.gz DXJMWOXDEAUACE-SFHVURJKSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@@H]1CCC[C@H](C[NH+]2CCC(CN3CCN(C)CC3)CC2)C1 ZINC000367671529 429696461 /nfs/dbraw/zinc/69/64/61/429696461.db2.gz PPYQJHUJKFFSLU-MJGOQNOKSA-N 1 3 307.526 2.772 20 0 DFADHO CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](C)N ZINC000430613430 429701041 /nfs/dbraw/zinc/70/10/41/429701041.db2.gz VMLHPZIHWMPXLR-DZGCQCFKSA-N 1 3 321.490 2.939 20 0 DFADHO CSc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)N ZINC000430613430 429701045 /nfs/dbraw/zinc/70/10/45/429701045.db2.gz VMLHPZIHWMPXLR-DZGCQCFKSA-N 1 3 321.490 2.939 20 0 DFADHO N[C@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430615495 429701146 /nfs/dbraw/zinc/70/11/46/429701146.db2.gz BWMKPEAJEKQTLI-ZDUSSCGKSA-N 1 3 302.340 2.897 20 0 DFADHO N[C@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430615495 429701152 /nfs/dbraw/zinc/70/11/52/429701152.db2.gz BWMKPEAJEKQTLI-ZDUSSCGKSA-N 1 3 302.340 2.897 20 0 DFADHO [NH3+]CC1CCN(Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000430641437 429704764 /nfs/dbraw/zinc/70/47/64/429704764.db2.gz TUIDYXQEMCFGEG-UHFFFAOYSA-N 1 3 311.429 2.831 20 0 DFADHO Cc1cc(CN2CCC[C@H](C[NH+]3CCN(C)CC3)C2)ccc1F ZINC000367724143 429707619 /nfs/dbraw/zinc/70/76/19/429707619.db2.gz WBIMGPFAPPJPQD-GOSISDBHSA-N 1 3 319.468 2.594 20 0 DFADHO Cc1cc(C[N@H+]2CCC[C@H](CN3CCN(C)CC3)C2)ccc1F ZINC000367724143 429707624 /nfs/dbraw/zinc/70/76/24/429707624.db2.gz WBIMGPFAPPJPQD-GOSISDBHSA-N 1 3 319.468 2.594 20 0 DFADHO Cc1cc(C[N@@H+]2CCC[C@H](CN3CCN(C)CC3)C2)ccc1F ZINC000367724143 429707625 /nfs/dbraw/zinc/70/76/25/429707625.db2.gz WBIMGPFAPPJPQD-GOSISDBHSA-N 1 3 319.468 2.594 20 0 DFADHO CN(CCOC1CCC1)[C@@H]1CCC[N@H+](CCOC2CCC2)CC1 ZINC000367736167 429708859 /nfs/dbraw/zinc/70/88/59/429708859.db2.gz CQLBKJDEZIRLQO-QGZVFWFLSA-N 1 3 324.509 2.911 20 0 DFADHO CN(CCOC1CCC1)[C@@H]1CCC[N@@H+](CCOC2CCC2)CC1 ZINC000367736167 429708863 /nfs/dbraw/zinc/70/88/63/429708863.db2.gz CQLBKJDEZIRLQO-QGZVFWFLSA-N 1 3 324.509 2.911 20 0 DFADHO CCCN(C(=O)C[C@H](C)[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000430689799 429709425 /nfs/dbraw/zinc/70/94/25/429709425.db2.gz BEBJGXPVAUEPAI-WMZOPIPTSA-N 1 3 317.477 2.627 20 0 DFADHO C[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])N1CCCC[C@H]1C ZINC000430758725 429714706 /nfs/dbraw/zinc/71/47/06/429714706.db2.gz DGGGSFQNPRKMEH-WCXIOVBPSA-N 1 3 309.498 2.663 20 0 DFADHO C[C@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@H](N)c1ccccc1 ZINC000430894315 429721157 /nfs/dbraw/zinc/72/11/57/429721157.db2.gz MKVWXEHDEHSVGE-CBZIJGRNSA-N 1 3 317.477 2.702 20 0 DFADHO C[N@H+](CC1CCN(c2ccncc2)CC1)C[C@H]1CCCCO1 ZINC000367884996 429736874 /nfs/dbraw/zinc/73/68/74/429736874.db2.gz JDQQNUHPXPORTR-GOSISDBHSA-N 1 3 303.450 2.799 20 0 DFADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)C[C@H]1CCCCO1 ZINC000367884996 429736880 /nfs/dbraw/zinc/73/68/80/429736880.db2.gz JDQQNUHPXPORTR-GOSISDBHSA-N 1 3 303.450 2.799 20 0 DFADHO Cc1nc2c(n1[C@@H]1CC[N@@H+](CC[C@H]3CCCN3C)C1)CCCC2 ZINC000432078721 429798804 /nfs/dbraw/zinc/79/88/04/429798804.db2.gz RHPKPFITLBIMMJ-IAGOWNOFSA-N 1 3 316.493 2.801 20 0 DFADHO Cc1nc2c(n1[C@@H]1CC[N@H+](CC[C@H]3CCCN3C)C1)CCCC2 ZINC000432078721 429798806 /nfs/dbraw/zinc/79/88/06/429798806.db2.gz RHPKPFITLBIMMJ-IAGOWNOFSA-N 1 3 316.493 2.801 20 0 DFADHO Cc1nc2c(n1[C@@H]1CCN(CC[C@H]3CCC[N@H+]3C)C1)CCCC2 ZINC000432078721 429798810 /nfs/dbraw/zinc/79/88/10/429798810.db2.gz RHPKPFITLBIMMJ-IAGOWNOFSA-N 1 3 316.493 2.801 20 0 DFADHO Cc1nc2c(n1[C@@H]1CCN(CC[C@H]3CCC[N@@H+]3C)C1)CCCC2 ZINC000432078721 429798813 /nfs/dbraw/zinc/79/88/13/429798813.db2.gz RHPKPFITLBIMMJ-IAGOWNOFSA-N 1 3 316.493 2.801 20 0 DFADHO CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000451001709 429748257 /nfs/dbraw/zinc/74/82/57/429748257.db2.gz AOGNPCDBUDLHPM-QGZVFWFLSA-N 1 3 321.509 2.726 20 0 DFADHO C[NH+](C)CCOc1cccc(CNC/C=C\c2ccncc2)c1 ZINC000486969194 429757223 /nfs/dbraw/zinc/75/72/23/429757223.db2.gz PUGAMMKAUIAPSG-XQRVVYSFSA-N 1 3 311.429 2.825 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)C[C@@H](c2ccccc2)N(C)C)CC1 ZINC000431623490 429773506 /nfs/dbraw/zinc/77/35/06/429773506.db2.gz SSFWKZWYQFUCPC-SFHVURJKSA-N 1 3 317.477 2.668 20 0 DFADHO FC(F)COCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000368091224 429784794 /nfs/dbraw/zinc/78/47/94/429784794.db2.gz VXVBZSZPXJVFLO-IRXDYDNUSA-N 1 3 324.415 2.722 20 0 DFADHO FC(F)COCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000368091224 429784797 /nfs/dbraw/zinc/78/47/97/429784797.db2.gz VXVBZSZPXJVFLO-IRXDYDNUSA-N 1 3 324.415 2.722 20 0 DFADHO C[C@H](CN1CCCCC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431914001 429789597 /nfs/dbraw/zinc/78/95/97/429789597.db2.gz PBPKFIOVKPENNX-SJLPKXTDSA-N 1 3 317.477 2.670 20 0 DFADHO CCCN1CCC([NH2+]C[C@@H](OC)c2cccc(OC)c2)CC1 ZINC000527922589 429821111 /nfs/dbraw/zinc/82/11/11/429821111.db2.gz ZNZSNSWFKSABHW-GOSISDBHSA-N 1 3 306.450 2.847 20 0 DFADHO OC1CC(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000432427590 429823843 /nfs/dbraw/zinc/82/38/43/429823843.db2.gz ZRIKDVOSAJIWDT-KPZODNFCSA-N 1 3 314.473 2.648 20 0 DFADHO CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000527973143 429829754 /nfs/dbraw/zinc/82/97/54/429829754.db2.gz FTDFRFPHLWYHFV-QGTPRVQTSA-N 1 3 306.450 2.845 20 0 DFADHO CN(C)[C@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000432787400 429841016 /nfs/dbraw/zinc/84/10/16/429841016.db2.gz SEFNRMRCRMMXSC-AWEZNQCLSA-N 1 3 304.463 2.850 20 0 DFADHO CN(C)[C@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000432787400 429841017 /nfs/dbraw/zinc/84/10/17/429841017.db2.gz SEFNRMRCRMMXSC-AWEZNQCLSA-N 1 3 304.463 2.850 20 0 DFADHO CCN(C(=O)[C@H](C)C[NH2+]C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368453031 429850601 /nfs/dbraw/zinc/85/06/01/429850601.db2.gz GMNACYPXEQXIOG-NUJGCVRESA-N 1 3 317.477 2.526 20 0 DFADHO CS[C@H]1CN(c2ccncc2-c2cccnc2)C[C@@H]1[NH+](C)C ZINC000368543112 429864067 /nfs/dbraw/zinc/86/40/67/429864067.db2.gz GBYSTQZHHGYIDI-IRXDYDNUSA-N 1 3 314.458 2.625 20 0 DFADHO Cc1cccc2c1ncc(C)c2N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000368965734 429904445 /nfs/dbraw/zinc/90/44/45/429904445.db2.gz VRJANERNWGUMIP-INIZCTEOSA-N 1 3 313.445 2.745 20 0 DFADHO Cc1cccc2c1ncc(C)c2N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000368965734 429904446 /nfs/dbraw/zinc/90/44/46/429904446.db2.gz VRJANERNWGUMIP-INIZCTEOSA-N 1 3 313.445 2.745 20 0 DFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369021050 429907949 /nfs/dbraw/zinc/90/79/49/429907949.db2.gz GXFAIHFYTGZEQA-ROUUACIJSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000369278306 429922171 /nfs/dbraw/zinc/92/21/71/429922171.db2.gz QFWZBEZDQSFKPM-RVKKMQEKSA-N 1 3 317.477 2.661 20 0 DFADHO CC[NH+](CC)CCCN1CCC(Cc2nc(C(C)C)n[nH]2)CC1 ZINC000639716062 429957548 /nfs/dbraw/zinc/95/75/48/429957548.db2.gz HHORLTRRKSOJAC-UHFFFAOYSA-N 1 3 321.513 2.915 20 0 DFADHO CC[NH+](CC)CCCN1CCC(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000639716062 429957551 /nfs/dbraw/zinc/95/75/51/429957551.db2.gz HHORLTRRKSOJAC-UHFFFAOYSA-N 1 3 321.513 2.915 20 0 DFADHO CC[NH+](CC)CCCN1CCC(Cc2nnc(C(C)C)[nH]2)CC1 ZINC000639716062 429957554 /nfs/dbraw/zinc/95/75/54/429957554.db2.gz HHORLTRRKSOJAC-UHFFFAOYSA-N 1 3 321.513 2.915 20 0 DFADHO CN(C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000558348676 429967308 /nfs/dbraw/zinc/96/73/08/429967308.db2.gz CMJKTDNYNVWJEK-ROUUACIJSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000558348676 429967310 /nfs/dbraw/zinc/96/73/10/429967310.db2.gz CMJKTDNYNVWJEK-ROUUACIJSA-N 1 3 317.477 2.670 20 0 DFADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639761596 429973389 /nfs/dbraw/zinc/97/33/89/429973389.db2.gz GQJHAXUIIPATFJ-IAGOWNOFSA-N 1 3 321.509 2.584 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000573776928 429981673 /nfs/dbraw/zinc/98/16/73/429981673.db2.gz CQMFDTDVFNVAPY-HZPDHXFCSA-N 1 3 313.555 2.524 20 0 DFADHO O=C(NC1CCN(C2CC2)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000369365434 429930935 /nfs/dbraw/zinc/93/09/35/429930935.db2.gz BMDKTAWMTYJVSO-SFHVURJKSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(NC1CCN(C2CC2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000369365434 429930937 /nfs/dbraw/zinc/93/09/37/429930937.db2.gz BMDKTAWMTYJVSO-SFHVURJKSA-N 1 3 319.493 2.527 20 0 DFADHO COc1ncc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c2ccccc21 ZINC000639654771 429935590 /nfs/dbraw/zinc/93/55/90/429935590.db2.gz NCUQFXNBTUCQDS-IBGZPJMESA-N 1 3 311.429 2.771 20 0 DFADHO COc1ncc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c2ccccc21 ZINC000639654771 429935594 /nfs/dbraw/zinc/93/55/94/429935594.db2.gz NCUQFXNBTUCQDS-IBGZPJMESA-N 1 3 311.429 2.771 20 0 DFADHO FC(F)(F)COCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000573333251 429945483 /nfs/dbraw/zinc/94/54/83/429945483.db2.gz SBYCGPCEFJWAHK-UHFFFAOYSA-N 1 3 317.355 2.609 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000574338982 430033689 /nfs/dbraw/zinc/03/36/89/430033689.db2.gz ISYZLQAWKRCIQV-CHWSQXEVSA-N 1 3 302.340 2.987 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccc(OC(F)(F)F)cc2)C1 ZINC000574338982 430033692 /nfs/dbraw/zinc/03/36/92/430033692.db2.gz ISYZLQAWKRCIQV-CHWSQXEVSA-N 1 3 302.340 2.987 20 0 DFADHO CSC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000574444305 430042797 /nfs/dbraw/zinc/04/27/97/430042797.db2.gz XDWJKTMMIKGKOW-YJBOKZPZSA-N 1 3 322.518 2.875 20 0 DFADHO CSC[C@@H](O)CNCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000574444305 430042801 /nfs/dbraw/zinc/04/28/01/430042801.db2.gz XDWJKTMMIKGKOW-YJBOKZPZSA-N 1 3 322.518 2.875 20 0 DFADHO CCN1CC[C@H]([NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748957 429989857 /nfs/dbraw/zinc/98/98/57/429989857.db2.gz MCONTTGQWRRCND-HOJAQTOUSA-N 1 3 315.505 2.889 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748957 429989862 /nfs/dbraw/zinc/98/98/62/429989862.db2.gz MCONTTGQWRRCND-HOJAQTOUSA-N 1 3 315.505 2.889 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748957 429989869 /nfs/dbraw/zinc/98/98/69/429989869.db2.gz MCONTTGQWRRCND-HOJAQTOUSA-N 1 3 315.505 2.889 20 0 DFADHO c1nc([C@H](NCC2CC[NH+](C3CC3)CC2)C2CCCCC2)n[nH]1 ZINC000559111669 429998968 /nfs/dbraw/zinc/99/89/68/429998968.db2.gz HHAZNYMFPJQSSZ-QGZVFWFLSA-N 1 3 317.481 2.890 20 0 DFADHO CCC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(F)c2C)C1 ZINC000574032835 430004318 /nfs/dbraw/zinc/00/43/18/430004318.db2.gz YHPXPXVIRFSMGO-HNNXBMFYSA-N 1 3 321.440 2.784 20 0 DFADHO CCC[N@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(F)c2C)C1 ZINC000574032835 430004322 /nfs/dbraw/zinc/00/43/22/430004322.db2.gz YHPXPXVIRFSMGO-HNNXBMFYSA-N 1 3 321.440 2.784 20 0 DFADHO CCCN1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2C)C1 ZINC000574032835 430004323 /nfs/dbraw/zinc/00/43/23/430004323.db2.gz YHPXPXVIRFSMGO-HNNXBMFYSA-N 1 3 321.440 2.784 20 0 DFADHO CC(C)c1ncc(CN(C)CCCN(C)CC[NH+](C)C)s1 ZINC000574200526 430020742 /nfs/dbraw/zinc/02/07/42/430020742.db2.gz CFPLTPGYURDDOG-UHFFFAOYSA-N 1 3 312.527 2.582 20 0 DFADHO CC1(C)CNCC[C@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000634732608 430094499 /nfs/dbraw/zinc/09/44/99/430094499.db2.gz KIIFWENSQXWZFQ-AWEZNQCLSA-N 1 3 321.431 2.771 20 0 DFADHO CO[C@@H](CN1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000530222410 430105907 /nfs/dbraw/zinc/10/59/07/430105907.db2.gz MVLUISZRAXJUME-ROUUACIJSA-N 1 3 306.425 2.977 20 0 DFADHO COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCNC23CCC3)cc1O ZINC000530243323 430108052 /nfs/dbraw/zinc/10/80/52/430108052.db2.gz HLTZNUMZOFKKOA-DYVFJYSZSA-N 1 3 304.434 2.596 20 0 DFADHO COc1ccccc1OCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000560514800 430051464 /nfs/dbraw/zinc/05/14/64/430051464.db2.gz YPOMLEUJPRWQDI-ARFHVFGLSA-N 1 3 304.434 2.536 20 0 DFADHO COc1ccccc1OCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000560514800 430051469 /nfs/dbraw/zinc/05/14/69/430051469.db2.gz YPOMLEUJPRWQDI-ARFHVFGLSA-N 1 3 304.434 2.536 20 0 DFADHO COc1ccccc1OCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000560514800 430051470 /nfs/dbraw/zinc/05/14/70/430051470.db2.gz YPOMLEUJPRWQDI-ARFHVFGLSA-N 1 3 304.434 2.536 20 0 DFADHO COCC1(NC2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000560556914 430055298 /nfs/dbraw/zinc/05/52/98/430055298.db2.gz HSHPJPPLQICLKU-UHFFFAOYSA-N 1 3 310.482 2.569 20 0 DFADHO COCC1([NH2+]C2CCN(C3CCCCC3)CC2)CCOCC1 ZINC000560556914 430055303 /nfs/dbraw/zinc/05/53/03/430055303.db2.gz HSHPJPPLQICLKU-UHFFFAOYSA-N 1 3 310.482 2.569 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000560598034 430056925 /nfs/dbraw/zinc/05/69/25/430056925.db2.gz QCTNXSTYURCRFY-AEFFLSMTSA-N 1 3 317.477 2.670 20 0 DFADHO COc1cccc2c1C[C@H](NC1CC[NH+](CC3CC3)CC1)C2 ZINC000581057642 430173599 /nfs/dbraw/zinc/17/35/99/430173599.db2.gz ZFMFZMBVQJRBEO-QGZVFWFLSA-N 1 3 300.446 2.626 20 0 DFADHO C[NH2+]CCCC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000237171844 277021663 /nfs/dbraw/zinc/02/16/63/277021663.db2.gz DNUQCFULNLFDOT-GOSISDBHSA-N 1 3 317.477 2.575 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000367872068 277046481 /nfs/dbraw/zinc/04/64/81/277046481.db2.gz WPAUZWDOOGOGAU-ZWKOTPCHSA-N 1 3 306.425 2.593 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000367872068 277046482 /nfs/dbraw/zinc/04/64/82/277046482.db2.gz WPAUZWDOOGOGAU-ZWKOTPCHSA-N 1 3 306.425 2.593 20 0 DFADHO COc1ccccc1SC[C@H](C)C[NH2+]CC12CC(C1)CN2 ZINC000634995695 430187526 /nfs/dbraw/zinc/18/75/26/430187526.db2.gz MPNNCHFVEFUJBY-TUBUQKNSSA-N 1 3 306.475 2.765 20 0 DFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(F)cc1 ZINC000635007644 430194495 /nfs/dbraw/zinc/19/44/95/430194495.db2.gz FTLQIKZONVFMQP-ZDUSSCGKSA-N 1 3 300.381 2.803 20 0 DFADHO NC[C@@H]([NH2+]Cc1cccc(-c2ccc(N)cc2)n1)C1CCCC1 ZINC000634995823 430187871 /nfs/dbraw/zinc/18/78/71/430187871.db2.gz POVOJMNDGUJXIW-LJQANCHMSA-N 1 3 310.445 2.938 20 0 DFADHO Cc1nc(C)c([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)s1 ZINC000635007230 430193175 /nfs/dbraw/zinc/19/31/75/430193175.db2.gz FIXRGNVHFZPEKC-GFCCVEGCSA-N 1 3 317.462 2.738 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc(-n3cccn3)cc2)[C@H]2CCC[C@H]21 ZINC000367638982 277172290 /nfs/dbraw/zinc/17/22/90/277172290.db2.gz SLIVCHSJKIQJJL-CEXWTWQISA-N 1 3 310.445 2.835 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc(-n3cccn3)cc2)[C@H]2CCC[C@H]21 ZINC000367638982 277172291 /nfs/dbraw/zinc/17/22/91/277172291.db2.gz SLIVCHSJKIQJJL-CEXWTWQISA-N 1 3 310.445 2.835 20 0 DFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(Cl)cn1 ZINC000635010513 430195411 /nfs/dbraw/zinc/19/54/11/430195411.db2.gz SRPHIJQLNNFURJ-GFCCVEGCSA-N 1 3 317.824 2.713 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012325 430196073 /nfs/dbraw/zinc/19/60/73/430196073.db2.gz SNLDIYSROGIAPO-HOTGVXAUSA-N 1 3 317.477 2.796 20 0 DFADHO CC(C)C1(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000637985415 430196429 /nfs/dbraw/zinc/19/64/29/430196429.db2.gz QVAOSLJBBMRTCD-HDICACEKSA-N 1 3 307.526 2.913 20 0 DFADHO CC(C)C1(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000637985415 430196433 /nfs/dbraw/zinc/19/64/33/430196433.db2.gz QVAOSLJBBMRTCD-HDICACEKSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@H](N[C@@H]1CCCCCN(Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000635020907 430197240 /nfs/dbraw/zinc/19/72/40/430197240.db2.gz NNATWJAHBZKDKC-QFBILLFUSA-N 1 3 301.478 2.629 20 0 DFADHO COCC[C@H](COC)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353642424 277239987 /nfs/dbraw/zinc/23/99/87/277239987.db2.gz LMRBAWNAFDSOHJ-BHIYHBOVSA-N 1 3 320.477 2.538 20 0 DFADHO COCC[C@H](COC)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353642424 277239988 /nfs/dbraw/zinc/23/99/88/277239988.db2.gz LMRBAWNAFDSOHJ-BHIYHBOVSA-N 1 3 320.477 2.538 20 0 DFADHO Cc1ccc(NC(=O)[C@H](N)CCC(C)C)c(OCC[NH+](C)C)c1 ZINC000638119610 430242491 /nfs/dbraw/zinc/24/24/91/430242491.db2.gz VBUHUZSFTUJTRN-OAHLLOKOSA-N 1 3 321.465 2.637 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccsc1 ZINC000635280742 430244273 /nfs/dbraw/zinc/24/42/73/430244273.db2.gz WCCHVEACPSOMAT-GDBMZVCRSA-N 1 3 323.506 2.589 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccsc1 ZINC000635280742 430244278 /nfs/dbraw/zinc/24/42/78/430244278.db2.gz WCCHVEACPSOMAT-GDBMZVCRSA-N 1 3 323.506 2.589 20 0 DFADHO COc1ccccc1[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)N1CCCC1 ZINC000566481608 430266223 /nfs/dbraw/zinc/26/62/23/430266223.db2.gz GXWBUSJBPBQJMJ-BQFCYCMXSA-N 1 3 317.477 2.692 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000635189067 430226800 /nfs/dbraw/zinc/22/68/00/430226800.db2.gz OKWIOHUXLCJWNF-WMZOPIPTSA-N 1 3 317.477 2.528 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000635189067 430226803 /nfs/dbraw/zinc/22/68/03/430226803.db2.gz OKWIOHUXLCJWNF-WMZOPIPTSA-N 1 3 317.477 2.528 20 0 DFADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](N)CCC(C)C)c1 ZINC000638078842 430227864 /nfs/dbraw/zinc/22/78/64/430227864.db2.gz HAWMBHIXABSGRP-QGZVFWFLSA-N 1 3 305.466 2.518 20 0 DFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](N)CCC(C)C)c1 ZINC000638078842 430227867 /nfs/dbraw/zinc/22/78/67/430227867.db2.gz HAWMBHIXABSGRP-QGZVFWFLSA-N 1 3 305.466 2.518 20 0 DFADHO CC[NH2+][C@H](C)C(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000638079624 430228664 /nfs/dbraw/zinc/22/86/64/430228664.db2.gz PASJAOLPKUOSCI-RYRKJORJSA-N 1 3 317.477 2.668 20 0 DFADHO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000542852048 430229796 /nfs/dbraw/zinc/22/97/96/430229796.db2.gz OSWWUPLURXVNBR-AYOQOUSVSA-N 1 3 302.462 2.922 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000638086990 430232826 /nfs/dbraw/zinc/23/28/26/430232826.db2.gz YSSJKXVBCQOBKO-SQNIBIBYSA-N 1 3 323.525 2.863 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000638086990 430232827 /nfs/dbraw/zinc/23/28/27/430232827.db2.gz YSSJKXVBCQOBKO-SQNIBIBYSA-N 1 3 323.525 2.863 20 0 DFADHO C[NH+](C)Cc1cccc(CNCCC(=O)Nc2ccccc2)c1 ZINC000566063243 430237019 /nfs/dbraw/zinc/23/70/19/430237019.db2.gz KMSXBGQHKHLOKV-UHFFFAOYSA-N 1 3 311.429 2.867 20 0 DFADHO c1ccc(N2CC[C@H](CN3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000638113328 430239165 /nfs/dbraw/zinc/23/91/65/430239165.db2.gz RSPIEMGAFYOTEU-RBUKOAKNSA-N 1 3 313.489 2.931 20 0 DFADHO c1ccc(N2CC[C@H](C[N@H+]3CC[C@@H](CN4CCCC4)C3)C2)cc1 ZINC000638113328 430239171 /nfs/dbraw/zinc/23/91/71/430239171.db2.gz RSPIEMGAFYOTEU-RBUKOAKNSA-N 1 3 313.489 2.931 20 0 DFADHO c1ccc(N2CC[C@H](C[N@@H+]3CC[C@@H](CN4CCCC4)C3)C2)cc1 ZINC000638113328 430239176 /nfs/dbraw/zinc/23/91/76/430239176.db2.gz RSPIEMGAFYOTEU-RBUKOAKNSA-N 1 3 313.489 2.931 20 0 DFADHO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(CCN2CCCCC2)nn1 ZINC000641170097 430349965 /nfs/dbraw/zinc/34/99/65/430349965.db2.gz VSCBSPJSCVNIGK-GOSISDBHSA-N 1 3 319.497 2.569 20 0 DFADHO CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(CCN2CCCCC2)nn1 ZINC000641170097 430349968 /nfs/dbraw/zinc/34/99/68/430349968.db2.gz VSCBSPJSCVNIGK-GOSISDBHSA-N 1 3 319.497 2.569 20 0 DFADHO CO[C@]1(CNCc2ccc(C[NH+]3CCCCC3)cc2)CCOC1 ZINC000638313431 430301946 /nfs/dbraw/zinc/30/19/46/430301946.db2.gz WFVPFELGPJBSJS-IBGZPJMESA-N 1 3 318.461 2.568 20 0 DFADHO C[N@H+](CCC(=O)N1CCN(C2CCCC2)CC1)C1CCCCC1 ZINC000545309815 430314765 /nfs/dbraw/zinc/31/47/65/430314765.db2.gz KDFAAYGNGOVKRH-UHFFFAOYSA-N 1 3 321.509 2.728 20 0 DFADHO C[N@@H+](CCC(=O)N1CCN(C2CCCC2)CC1)C1CCCCC1 ZINC000545309815 430314768 /nfs/dbraw/zinc/31/47/68/430314768.db2.gz KDFAAYGNGOVKRH-UHFFFAOYSA-N 1 3 321.509 2.728 20 0 DFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)[C@H]1CC2CCC1CC2 ZINC000638360943 430317453 /nfs/dbraw/zinc/31/74/53/430317453.db2.gz XIHQUFVXQYBWDY-LWSMDNFKSA-N 1 3 307.526 2.818 20 0 DFADHO COc1ncc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000638369370 430317979 /nfs/dbraw/zinc/31/79/79/430317979.db2.gz GNZFWUMZLMUPEQ-ZIAGYGMSSA-N 1 3 311.495 2.999 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CC1(F)F ZINC000638367192 430318402 /nfs/dbraw/zinc/31/84/02/430318402.db2.gz MTTNQROJQREBCI-RHSMWYFYSA-N 1 3 323.431 2.567 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CCc3c2cccc3Cl)CC1(C)C ZINC000568351105 430346884 /nfs/dbraw/zinc/34/68/84/430346884.db2.gz ODSBKECODKUPIH-KRWDZBQOSA-N 1 3 321.896 2.943 20 0 DFADHO Cc1ccc(CN2CCCC2)cc1NC(=O)C1(C[NH+](C)C)CC1 ZINC000635712831 430356003 /nfs/dbraw/zinc/35/60/03/430356003.db2.gz VLGPTGJICLBUET-UHFFFAOYSA-N 1 3 315.461 2.871 20 0 DFADHO [NH3+]C[C@H]1CC[C@H](CN[C@H](c2ccccc2)c2cncnc2)CC1 ZINC000583198119 430374315 /nfs/dbraw/zinc/37/43/15/430374315.db2.gz FXTXMYSZNSGUJS-GPMSIDNRSA-N 1 3 310.445 2.921 20 0 DFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000635787424 430377752 /nfs/dbraw/zinc/37/77/52/430377752.db2.gz MVQNVGYSKDVEBD-JKSUJKDBSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000635787424 430377755 /nfs/dbraw/zinc/37/77/55/430377755.db2.gz MVQNVGYSKDVEBD-JKSUJKDBSA-N 1 3 323.525 2.734 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN(CCc1ccccc1F)C1CCCC1 ZINC000568659720 430379103 /nfs/dbraw/zinc/37/91/03/430379103.db2.gz ICYVYKOVUDJDEI-GOSISDBHSA-N 1 3 322.468 2.925 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN(CCc1ccccc1F)C1CCCC1 ZINC000568659720 430379106 /nfs/dbraw/zinc/37/91/06/430379106.db2.gz ICYVYKOVUDJDEI-GOSISDBHSA-N 1 3 322.468 2.925 20 0 DFADHO Cc1nn(-c2ccncc2)cc1CN[C@H](C[NH3+])C1CCCCC1 ZINC000583552469 430406598 /nfs/dbraw/zinc/40/65/98/430406598.db2.gz GQQRKQOQVSPSTO-GOSISDBHSA-N 1 3 313.449 2.573 20 0 DFADHO CC[C@@H](C)[C@@H]1CCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000583557709 430406746 /nfs/dbraw/zinc/40/67/46/430406746.db2.gz XFCYRFAJEHMFRH-AEFFLSMTSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@@H](C(=O)N(C)CCCC[NH+]1CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000641662236 430437097 /nfs/dbraw/zinc/43/70/97/430437097.db2.gz ZVJIKIRUWDTENJ-KURKYZTESA-N 1 3 323.525 2.972 20 0 DFADHO C[C@@H](C(=O)N(C)CCCC[NH+]1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000641662235 430437778 /nfs/dbraw/zinc/43/77/78/430437778.db2.gz ZVJIKIRUWDTENJ-KSZLIROESA-N 1 3 323.525 2.972 20 0 DFADHO CC[NH2+]CCCNC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000569349612 430446739 /nfs/dbraw/zinc/44/67/39/430446739.db2.gz YLCMXRFRCLVGEN-UHFFFAOYSA-N 1 3 309.885 2.894 20 0 DFADHO CC[C@H](C)[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)OC ZINC000638836345 430450443 /nfs/dbraw/zinc/45/04/43/430450443.db2.gz FHKNTAQOJFKLLQ-YJBOKZPZSA-N 1 3 305.466 2.949 20 0 DFADHO C[NH+](C)Cc1cccc(CNCc2cccn(C(F)F)c2=O)c1 ZINC000638850096 430454873 /nfs/dbraw/zinc/45/48/73/430454873.db2.gz BTROKCSZPOBLAI-UHFFFAOYSA-N 1 3 321.371 2.595 20 0 DFADHO C[NH2+]Cc1ccccc1NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000584160945 430464580 /nfs/dbraw/zinc/46/45/80/430464580.db2.gz FNHISTPCMCSHDS-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548389265 430468562 /nfs/dbraw/zinc/46/85/62/430468562.db2.gz ZZLDPDWRBMBKQS-MSOLQXFVSA-N 1 3 321.509 2.726 20 0 DFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548389265 430468567 /nfs/dbraw/zinc/46/85/67/430468567.db2.gz ZZLDPDWRBMBKQS-MSOLQXFVSA-N 1 3 321.509 2.726 20 0 DFADHO CCN1CCC[C@H]1CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548393226 430468823 /nfs/dbraw/zinc/46/88/23/430468823.db2.gz RXYNMIVZQMOYJY-KRWDZBQOSA-N 1 3 309.498 2.584 20 0 DFADHO CCN1CCC[C@H]1CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548393226 430468825 /nfs/dbraw/zinc/46/88/25/430468825.db2.gz RXYNMIVZQMOYJY-KRWDZBQOSA-N 1 3 309.498 2.584 20 0 DFADHO Cc1nnsc1CNC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000638777947 430432086 /nfs/dbraw/zinc/43/20/86/430432086.db2.gz XBBQNLFSWNCOEJ-UHFFFAOYSA-N 1 3 308.495 2.979 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN1CCCC[C@H]1CCc1ccccc1 ZINC000569937768 430499219 /nfs/dbraw/zinc/49/92/19/430499219.db2.gz NNHPYVCZRZTXOM-OALUTQOASA-N 1 3 304.478 2.786 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN1CCCC[C@H]1CCc1ccccc1 ZINC000569937768 430499223 /nfs/dbraw/zinc/49/92/23/430499223.db2.gz NNHPYVCZRZTXOM-OALUTQOASA-N 1 3 304.478 2.786 20 0 DFADHO C[C@H](C[C@@H]1CCCC(=O)N1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000639133003 430537599 /nfs/dbraw/zinc/53/75/99/430537599.db2.gz FZXYALXXNRKXGI-SOLBZPMBSA-N 1 3 321.509 2.820 20 0 DFADHO C[C@H](C[C@@H]1CCCC(=O)N1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000639133003 430537604 /nfs/dbraw/zinc/53/76/04/430537604.db2.gz FZXYALXXNRKXGI-SOLBZPMBSA-N 1 3 321.509 2.820 20 0 DFADHO Cn1cc(CCCNC[C@@H]2CCC[N@@H+]2C2CCCCC2)cn1 ZINC000639133683 430538150 /nfs/dbraw/zinc/53/81/50/430538150.db2.gz VNUFCPSCTINZHZ-SFHVURJKSA-N 1 3 304.482 2.739 20 0 DFADHO Cn1cc(CCCNC[C@@H]2CCC[N@H+]2C2CCCCC2)cn1 ZINC000639133683 430538153 /nfs/dbraw/zinc/53/81/53/430538153.db2.gz VNUFCPSCTINZHZ-SFHVURJKSA-N 1 3 304.482 2.739 20 0 DFADHO c1ccc([C@@H](CN2CCCCC2)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000643451861 430600846 /nfs/dbraw/zinc/60/08/46/430600846.db2.gz MKNGJDCRZMBSKM-RBUKOAKNSA-N 1 3 301.478 2.945 20 0 DFADHO C[C@@H](N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000643451863 430600904 /nfs/dbraw/zinc/60/09/04/430600904.db2.gz NIMVKBUIBRPPPF-BHIYHBOVSA-N 1 3 301.478 2.944 20 0 DFADHO C[C@@H]1CC[C@H](O)CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000643295762 430575942 /nfs/dbraw/zinc/57/59/42/430575942.db2.gz PYWVERKEPXKBSV-AEFFLSMTSA-N 1 3 318.461 2.506 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@H](O)CC23CCC3)cc1 ZINC000643296203 430576512 /nfs/dbraw/zinc/57/65/12/430576512.db2.gz KSRSSNWNECHRMT-KRWDZBQOSA-N 1 3 318.461 2.506 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@H](O)CC23CCC3)cc1 ZINC000643296203 430576517 /nfs/dbraw/zinc/57/65/17/430576517.db2.gz KSRSSNWNECHRMT-KRWDZBQOSA-N 1 3 318.461 2.506 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCCNC1 ZINC000570792552 430577095 /nfs/dbraw/zinc/57/70/95/430577095.db2.gz KCOZRLAXSSLFMN-ZIAGYGMSSA-N 1 3 304.434 2.671 20 0 DFADHO C[C@@H](NCC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]C1 ZINC000570792552 430577098 /nfs/dbraw/zinc/57/70/98/430577098.db2.gz KCOZRLAXSSLFMN-ZIAGYGMSSA-N 1 3 304.434 2.671 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@H]1CCCNC1 ZINC000570792550 430577139 /nfs/dbraw/zinc/57/71/39/430577139.db2.gz KCOZRLAXSSLFMN-KGLIPLIRSA-N 1 3 304.434 2.671 20 0 DFADHO C[C@@H](NCC(C)(C)c1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]C1 ZINC000570792550 430577143 /nfs/dbraw/zinc/57/71/43/430577143.db2.gz KCOZRLAXSSLFMN-KGLIPLIRSA-N 1 3 304.434 2.671 20 0 DFADHO COc1ccc2[nH]cc(CC[NH2+][C@H]3CCCC[C@@H]3CN)c2c1 ZINC000643453947 430601842 /nfs/dbraw/zinc/60/18/42/430601842.db2.gz NKGFZJYWRDKQTO-DYVFJYSZSA-N 1 3 301.434 2.826 20 0 DFADHO CCN(Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000643353312 430590304 /nfs/dbraw/zinc/59/03/04/430590304.db2.gz OZFKWXOVWGBIOZ-GOSISDBHSA-N 1 3 318.461 2.772 20 0 DFADHO CO[C@@H](CNC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)CC(C)C ZINC000639287250 430599864 /nfs/dbraw/zinc/59/98/64/430599864.db2.gz YAUZZGUYOJOYNH-QRVBRYPASA-N 1 3 304.478 2.983 20 0 DFADHO CO[C@@H](CNC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)CC(C)C ZINC000639287250 430599866 /nfs/dbraw/zinc/59/98/66/430599866.db2.gz YAUZZGUYOJOYNH-QRVBRYPASA-N 1 3 304.478 2.983 20 0 DFADHO COCC[N@H+](C[C@@H](CN)c1ccc(OC)cc1)C1CCCC1 ZINC000643057602 430546458 /nfs/dbraw/zinc/54/64/58/430546458.db2.gz ZZTNFCRGFLORMG-MRXNPFEDSA-N 1 3 306.450 2.629 20 0 DFADHO COCC[N@@H+](C[C@@H](CN)c1ccc(OC)cc1)C1CCCC1 ZINC000643057602 430546460 /nfs/dbraw/zinc/54/64/60/430546460.db2.gz ZZTNFCRGFLORMG-MRXNPFEDSA-N 1 3 306.450 2.629 20 0 DFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885607 430653599 /nfs/dbraw/zinc/65/35/99/430653599.db2.gz CKAKBNQEKMTYGV-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885607 430653603 /nfs/dbraw/zinc/65/36/03/430653603.db2.gz CKAKBNQEKMTYGV-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885607 430653604 /nfs/dbraw/zinc/65/36/04/430653604.db2.gz CKAKBNQEKMTYGV-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885607 430653607 /nfs/dbraw/zinc/65/36/07/430653607.db2.gz CKAKBNQEKMTYGV-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456665 430602639 /nfs/dbraw/zinc/60/26/39/430602639.db2.gz VTTGOPBGSRTEAA-CQDKDKBSSA-N 1 3 316.367 2.590 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1ccc(C(F)(F)F)cc1 ZINC000643456665 430602642 /nfs/dbraw/zinc/60/26/42/430602642.db2.gz VTTGOPBGSRTEAA-CQDKDKBSSA-N 1 3 316.367 2.590 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C1CCC([NH3+])CC1)c1ccsc1 ZINC000621506571 430604932 /nfs/dbraw/zinc/60/49/32/430604932.db2.gz LOSRSYXFBDVYEH-BCLQGDPASA-N 1 3 323.506 2.765 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccnn1C ZINC000643484291 430607040 /nfs/dbraw/zinc/60/70/40/430607040.db2.gz PXPKCWYBOBWOFK-MWDXBVQZSA-N 1 3 304.482 2.670 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000643474436 430607741 /nfs/dbraw/zinc/60/77/41/430607741.db2.gz LVBDLPMLRXLVRO-WTANOLMUSA-N 1 3 313.445 2.664 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000571156506 430607949 /nfs/dbraw/zinc/60/79/49/430607949.db2.gz LNPSQRWIRHVDAX-PEJOBZMASA-N 1 3 318.461 2.574 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000571156506 430607952 /nfs/dbraw/zinc/60/79/52/430607952.db2.gz LNPSQRWIRHVDAX-PEJOBZMASA-N 1 3 318.461 2.574 20 0 DFADHO CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)cc1 ZINC000643493854 430608698 /nfs/dbraw/zinc/60/86/98/430608698.db2.gz WDKLRDYKHWNSDT-ILRDRHFLSA-N 1 3 320.477 2.606 20 0 DFADHO C[C@H](NCCc1cc(C(F)(F)F)ccn1)[C@@H]1CCC[NH2+]C1 ZINC000643491028 430608941 /nfs/dbraw/zinc/60/89/41/430608941.db2.gz ROFWGQNYKDXJGS-NWDGAFQWSA-N 1 3 301.356 2.621 20 0 DFADHO COc1cc(F)c([C@H](C)N[C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000643537058 430614185 /nfs/dbraw/zinc/61/41/85/430614185.db2.gz YNFRIUPPKAWAII-ZBEGNZNMSA-N 1 3 308.397 2.636 20 0 DFADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1cnn(Cc2ccccc2)c1 ZINC000643535033 430614846 /nfs/dbraw/zinc/61/48/46/430614846.db2.gz HWJDXJLYSLERLA-QAPCUYQASA-N 1 3 310.445 2.724 20 0 DFADHO COc1cc(C[C@@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)ccn1 ZINC000639336241 430615029 /nfs/dbraw/zinc/61/50/29/430615029.db2.gz ABVZUWKJLAJAHS-CRAIPNDOSA-N 1 3 317.477 2.733 20 0 DFADHO COc1cc(C[C@@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)ccn1 ZINC000639336241 430615033 /nfs/dbraw/zinc/61/50/33/430615033.db2.gz ABVZUWKJLAJAHS-CRAIPNDOSA-N 1 3 317.477 2.733 20 0 DFADHO COc1cc(C[C@@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)ccn1 ZINC000639336241 430615037 /nfs/dbraw/zinc/61/50/37/430615037.db2.gz ABVZUWKJLAJAHS-CRAIPNDOSA-N 1 3 317.477 2.733 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000643547567 430615270 /nfs/dbraw/zinc/61/52/70/430615270.db2.gz HCPWZZUVLFOFNC-ZBFHGGJFSA-N 1 3 311.433 2.593 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)CN1Cc1ccccc1 ZINC000643545949 430615504 /nfs/dbraw/zinc/61/55/04/430615504.db2.gz FYEGNDVXLXDMDK-NEWSRXKRSA-N 1 3 313.489 2.914 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000554539507 430641302 /nfs/dbraw/zinc/64/13/02/430641302.db2.gz GLCOPGBTXGSTMT-MRXNPFEDSA-N 1 3 309.498 2.584 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000554539507 430641304 /nfs/dbraw/zinc/64/13/04/430641304.db2.gz GLCOPGBTXGSTMT-MRXNPFEDSA-N 1 3 309.498 2.584 20 0 DFADHO Cc1cccc(OC[C@H](O)C[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC000571636884 430642357 /nfs/dbraw/zinc/64/23/57/430642357.db2.gz UDYDCYNAVLFBAF-ZWKOTPCHSA-N 1 3 320.477 2.589 20 0 DFADHO O[C@H](CNC1CC[NH+](C2CCCCC2)CC1)CC(F)(F)F ZINC000571994216 430665063 /nfs/dbraw/zinc/66/50/63/430665063.db2.gz MUKUSPUHRBIYTQ-AWEZNQCLSA-N 1 3 308.388 2.686 20 0 DFADHO O[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)CC(F)(F)F ZINC000571994216 430665067 /nfs/dbraw/zinc/66/50/67/430665067.db2.gz MUKUSPUHRBIYTQ-AWEZNQCLSA-N 1 3 308.388 2.686 20 0 DFADHO C[C@@H](NCCc1nc(-c2ccncc2)cs1)[C@H]1CCC[NH2+]C1 ZINC000572234163 430677622 /nfs/dbraw/zinc/67/76/22/430677622.db2.gz DLCVUKYVMIWFLG-HIFRSBDPSA-N 1 3 316.474 2.725 20 0 DFADHO C[C@@H]([NH2+]CCc1nc(-c2ccncc2)cs1)[C@H]1CCCNC1 ZINC000572234163 430677625 /nfs/dbraw/zinc/67/76/25/430677625.db2.gz DLCVUKYVMIWFLG-HIFRSBDPSA-N 1 3 316.474 2.725 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCc2cnc(SC3CCCC3)nc2)C1 ZINC000572257319 430678886 /nfs/dbraw/zinc/67/88/86/430678886.db2.gz MGQCKMCVLQGSFB-GJZGRUSLSA-N 1 3 320.506 2.913 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C1 ZINC000572257319 430678889 /nfs/dbraw/zinc/67/88/89/430678889.db2.gz MGQCKMCVLQGSFB-GJZGRUSLSA-N 1 3 320.506 2.913 20 0 DFADHO COc1cccc2c1CC[C@H](N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000365251485 278035239 /nfs/dbraw/zinc/03/52/39/278035239.db2.gz XFUWTTLTOAOCMO-BBWFWOEESA-N 1 3 300.446 2.769 20 0 DFADHO COc1cccc2c1CC[C@H](N[C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000365251485 278035240 /nfs/dbraw/zinc/03/52/40/278035240.db2.gz XFUWTTLTOAOCMO-BBWFWOEESA-N 1 3 300.446 2.769 20 0 DFADHO COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCN3CCC[C@H]3C1)C2 ZINC000365251485 278035242 /nfs/dbraw/zinc/03/52/42/278035242.db2.gz XFUWTTLTOAOCMO-BBWFWOEESA-N 1 3 300.446 2.769 20 0 DFADHO C[C@@H]1CC[N@H+](CC[C@H]2CCCN2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000572479854 430688386 /nfs/dbraw/zinc/68/83/86/430688386.db2.gz NDYZNWMMPWVPRB-OAGGEKHMSA-N 1 3 310.482 2.770 20 0 DFADHO C[C@@H]1CC[N@@H+](CC[C@H]2CCCN2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000572479854 430688387 /nfs/dbraw/zinc/68/83/87/430688387.db2.gz NDYZNWMMPWVPRB-OAGGEKHMSA-N 1 3 310.482 2.770 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000572392071 430685523 /nfs/dbraw/zinc/68/55/23/430685523.db2.gz HKGAZYYLNKCIIJ-ZACQAIPSSA-N 1 3 323.525 2.911 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)C1CCCCC1 ZINC000556874960 430695407 /nfs/dbraw/zinc/69/54/07/430695407.db2.gz HRNARYJQZMABII-NCXUSEDFSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000266807691 278256051 /nfs/dbraw/zinc/25/60/51/278256051.db2.gz UNDNGXVASMWIMP-LBPRGKRZSA-N 1 3 316.367 2.813 20 0 DFADHO O=C(C[NH2+][C@H]1CCCC12CCCC2)NCCN1CCCCCC1 ZINC000572668741 430694508 /nfs/dbraw/zinc/69/45/08/430694508.db2.gz VYWDGDVLXCTLEC-KRWDZBQOSA-N 1 3 321.509 2.681 20 0 DFADHO C[C@H]([NH2+]CCCOc1cccc2cccnc21)[C@H]1CCCNC1 ZINC000572951423 430698254 /nfs/dbraw/zinc/69/82/54/430698254.db2.gz QHOJPGJQLCDNPR-RDJZCZTQSA-N 1 3 313.445 2.981 20 0 DFADHO C[C@H](NCCCOc1cccc2cccnc21)[C@H]1CCC[NH2+]C1 ZINC000572951423 430698255 /nfs/dbraw/zinc/69/82/55/430698255.db2.gz QHOJPGJQLCDNPR-RDJZCZTQSA-N 1 3 313.445 2.981 20 0 DFADHO C[C@@H](N[C@H]1CC[N@@H+](C2CCCCCC2)C1)C(C)(C)n1cncn1 ZINC000377740052 278384871 /nfs/dbraw/zinc/38/48/71/278384871.db2.gz BSRGTLIAPISRDO-CVEARBPZSA-N 1 3 319.497 2.788 20 0 DFADHO C[C@@H](N[C@H]1CC[N@H+](C2CCCCCC2)C1)C(C)(C)n1cncn1 ZINC000377740052 278384872 /nfs/dbraw/zinc/38/48/72/278384872.db2.gz BSRGTLIAPISRDO-CVEARBPZSA-N 1 3 319.497 2.788 20 0 DFADHO CN1CCCN(CCC[NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000651221707 430742143 /nfs/dbraw/zinc/74/21/43/430742143.db2.gz CIIUGMUSGZWCFT-HXUWFJFHSA-N 1 3 315.505 2.551 20 0 DFADHO CC(C)(C)c1ncc(CNCC2CC[NH+](CC3CC3)CC2)cn1 ZINC000657814723 430743065 /nfs/dbraw/zinc/74/30/65/430743065.db2.gz KZVOIBDDNUWIKC-UHFFFAOYSA-N 1 3 316.493 2.986 20 0 DFADHO COC[C@H](CC1CCOCC1)NC1CC[NH+](CC(C)C)CC1 ZINC000657831941 430748913 /nfs/dbraw/zinc/74/89/13/430748913.db2.gz GTQRYWUQQFOGDU-SFHVURJKSA-N 1 3 312.498 2.528 20 0 DFADHO Cc1ccc(OC[C@H](O)CN[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000644569921 430756788 /nfs/dbraw/zinc/75/67/88/430756788.db2.gz OSBKQTDUIPQDAT-AEFFLSMTSA-N 1 3 322.493 2.691 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]4C3(C)C)C2)CC1 ZINC000657881959 430759656 /nfs/dbraw/zinc/75/96/56/430759656.db2.gz ZZRSVLVCBKCOSX-NRSFXHEJSA-N 1 3 305.510 2.569 20 0 DFADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cc2cnccc2o1 ZINC000657897057 430763612 /nfs/dbraw/zinc/76/36/12/430763612.db2.gz DIHFXVDARSZPMA-CQSZACIVSA-N 1 3 316.449 2.504 20 0 DFADHO c1cc(N2CCC(C[NH2+][C@@H]3COC4(CCC4)C3)CC2)ccn1 ZINC000657909507 430764510 /nfs/dbraw/zinc/76/45/10/430764510.db2.gz NESGALSZRNJTTP-INIZCTEOSA-N 1 3 301.434 2.599 20 0 DFADHO COC1([C@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)CCC1 ZINC000657910721 430764562 /nfs/dbraw/zinc/76/45/62/430764562.db2.gz WVWQUZIDUCQEGI-HNNXBMFYSA-N 1 3 303.450 2.845 20 0 DFADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1ccncc1Cl ZINC000658108762 430814407 /nfs/dbraw/zinc/81/44/07/430814407.db2.gz RXHPTUHIBGPPGE-UONOGXRCSA-N 1 3 312.889 2.658 20 0 DFADHO O[C@]12C[C@H]1CN(Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000661720070 430819805 /nfs/dbraw/zinc/81/98/05/430819805.db2.gz GUAJGIBWTRWJFP-RBUKOAKNSA-N 1 3 300.446 2.629 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@H](C3CC3)C3CCC3)cc2)C1 ZINC000658139845 430823397 /nfs/dbraw/zinc/82/33/97/430823397.db2.gz TTWZTYNXAZIKJQ-PMACEKPBSA-N 1 3 314.473 2.922 20 0 DFADHO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658141584 430823710 /nfs/dbraw/zinc/82/37/10/430823710.db2.gz SMBSHPWQXPMMCP-HNAYVOBHSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCOCC1 ZINC000658166816 430833798 /nfs/dbraw/zinc/83/37/98/430833798.db2.gz PHMBGTGNCVOWBP-MRXNPFEDSA-N 1 3 317.477 2.698 20 0 DFADHO FCC1(CF)CC([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000658165958 430834024 /nfs/dbraw/zinc/83/40/24/430834024.db2.gz TZEWOFNSNAIRIK-UHFFFAOYSA-N 1 3 323.431 2.971 20 0 DFADHO CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCCN(C)C)CCO1 ZINC000648438095 430786678 /nfs/dbraw/zinc/78/66/78/430786678.db2.gz LECLSNOWTHCYTO-IAGOWNOFSA-N 1 3 306.450 2.674 20 0 DFADHO CC[C@@H]1C[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)CCO1 ZINC000648446906 430790516 /nfs/dbraw/zinc/79/05/16/430790516.db2.gz IBNUHSLMCRONIU-QZTJIDSGSA-N 1 3 320.477 2.717 20 0 DFADHO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1cccc(OCCN(C)C)c1 ZINC000658254450 430852514 /nfs/dbraw/zinc/85/25/14/430852514.db2.gz NSKGVFAALCNBQF-QGTPRVQTSA-N 1 3 318.461 2.581 20 0 DFADHO [NH3+]C1(CNC2CCN(c3ccc(F)cc3F)CC2)CCCC1 ZINC000665248901 430867984 /nfs/dbraw/zinc/86/79/84/430867984.db2.gz FOBSQIDEXGSPCL-UHFFFAOYSA-N 1 3 309.404 2.795 20 0 DFADHO C[C@@H]1CCC[C@H](CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)O1 ZINC000665264852 430874372 /nfs/dbraw/zinc/87/43/72/430874372.db2.gz JLEWLQKAIMSIJD-RRIFGTCXSA-N 1 3 316.445 2.790 20 0 DFADHO COc1cc(OC)c(CNCC2CC[NH+](C3CC3)CC2)cc1F ZINC000651787547 430875044 /nfs/dbraw/zinc/87/50/44/430875044.db2.gz WQLFTZWUKRIBLX-UHFFFAOYSA-N 1 3 322.424 2.807 20 0 DFADHO CCO[C@@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@H]1C ZINC000648741096 430875182 /nfs/dbraw/zinc/87/51/82/430875182.db2.gz VGXRVLDTFMMIDP-QFBILLFUSA-N 1 3 320.477 2.874 20 0 DFADHO CCO[C@@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@H]1C ZINC000648741096 430875186 /nfs/dbraw/zinc/87/51/86/430875186.db2.gz VGXRVLDTFMMIDP-QFBILLFUSA-N 1 3 320.477 2.874 20 0 DFADHO CCO[C@@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC000648741096 430875190 /nfs/dbraw/zinc/87/51/90/430875190.db2.gz VGXRVLDTFMMIDP-QFBILLFUSA-N 1 3 320.477 2.874 20 0 DFADHO CCO[C@@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H]1C ZINC000648741097 430875750 /nfs/dbraw/zinc/87/57/50/430875750.db2.gz VGXRVLDTFMMIDP-VQIMIIECSA-N 1 3 320.477 2.874 20 0 DFADHO CCO[C@@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H]1C ZINC000648741097 430875754 /nfs/dbraw/zinc/87/57/54/430875754.db2.gz VGXRVLDTFMMIDP-VQIMIIECSA-N 1 3 320.477 2.874 20 0 DFADHO CCO[C@@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC000648741097 430875757 /nfs/dbraw/zinc/87/57/57/430875757.db2.gz VGXRVLDTFMMIDP-VQIMIIECSA-N 1 3 320.477 2.874 20 0 DFADHO CNC(=O)CC1(CN[C@H](C)C[C@H]2CCCCC[NH2+]2)CCCCC1 ZINC000665275514 430878525 /nfs/dbraw/zinc/87/85/25/430878525.db2.gz MFAAZKFKRCZRGC-IAGOWNOFSA-N 1 3 323.525 2.973 20 0 DFADHO CC(C)N1CCC([NH2+]C[C@H]2CCN2Cc2ccccc2)CC1 ZINC000658348407 430883548 /nfs/dbraw/zinc/88/35/48/430883548.db2.gz PMZWOONQLOEUPD-LJQANCHMSA-N 1 3 301.478 2.723 20 0 DFADHO CC(C)[NH+]1CCC(NC[C@H]2CCN2Cc2ccccc2)CC1 ZINC000658348407 430883552 /nfs/dbraw/zinc/88/35/52/430883552.db2.gz PMZWOONQLOEUPD-LJQANCHMSA-N 1 3 301.478 2.723 20 0 DFADHO CC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000658189892 430837954 /nfs/dbraw/zinc/83/79/54/430837954.db2.gz ZPUCCHXTVMXAMY-AKHDSKFASA-N 1 3 302.462 2.648 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cccc2c1CCC2 ZINC000651651115 430839853 /nfs/dbraw/zinc/83/98/53/430839853.db2.gz LZPVPMJQLHHVON-RLLQIKCJSA-N 1 3 314.473 2.859 20 0 DFADHO c1cc([C@@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCO2)ccn1 ZINC000651966100 430927445 /nfs/dbraw/zinc/92/74/45/430927445.db2.gz PDUVMBPBWWJLPG-TVFCKZIOSA-N 1 3 301.434 2.518 20 0 DFADHO c1cc([C@@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCO2)ccn1 ZINC000651966100 430927450 /nfs/dbraw/zinc/92/74/50/430927450.db2.gz PDUVMBPBWWJLPG-TVFCKZIOSA-N 1 3 301.434 2.518 20 0 DFADHO c1cc([C@@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCO2)ccn1 ZINC000651966097 430928579 /nfs/dbraw/zinc/92/85/79/430928579.db2.gz PDUVMBPBWWJLPG-BDXSIMOUSA-N 1 3 301.434 2.518 20 0 DFADHO c1cc([C@@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCO2)ccn1 ZINC000651966097 430928584 /nfs/dbraw/zinc/92/85/84/430928584.db2.gz PDUVMBPBWWJLPG-BDXSIMOUSA-N 1 3 301.434 2.518 20 0 DFADHO CC(C)C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)cc1 ZINC000652154177 430974990 /nfs/dbraw/zinc/97/49/90/430974990.db2.gz YVDQKKDKPHIDMJ-QGZVFWFLSA-N 1 3 308.441 2.959 20 0 DFADHO C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662148478 430979276 /nfs/dbraw/zinc/97/92/76/430979276.db2.gz KTBOQLLUQYSTQY-FOIQADDNSA-N 1 3 314.473 2.767 20 0 DFADHO O[C@H]1CCN(C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000662159331 430983246 /nfs/dbraw/zinc/98/32/46/430983246.db2.gz YCWCTIBCEFEJPH-IBGZPJMESA-N 1 3 310.441 2.871 20 0 DFADHO Cc1cc(N2CCOC3(CC[NH+](C)CC3)C2)c2ccccc2n1 ZINC000645384904 430987304 /nfs/dbraw/zinc/98/73/04/430987304.db2.gz LPQOSNQXMXUHSX-UHFFFAOYSA-N 1 3 311.429 2.844 20 0 DFADHO CC(C)N1CCN(CCC[N@H+](CCC2CC2)CC2CC2)CC1 ZINC000662177325 430989452 /nfs/dbraw/zinc/98/94/52/430989452.db2.gz DLHCHFLHPZPXGB-UHFFFAOYSA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+](CCC2CC2)CC2CC2)CC1 ZINC000662177325 430989457 /nfs/dbraw/zinc/98/94/57/430989457.db2.gz DLHCHFLHPZPXGB-UHFFFAOYSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000645465122 431009157 /nfs/dbraw/zinc/00/91/57/431009157.db2.gz GLTOOOFEVRKRAU-WMLDXEAASA-N 1 3 301.434 2.609 20 0 DFADHO Fc1ccc([C@@H]([NH2+]C[C@H]2CCC3(CNC3)O2)C2CCC2)cc1 ZINC000662259497 431020449 /nfs/dbraw/zinc/02/04/49/431020449.db2.gz YFZBWILPGNUAGH-SJORKVTESA-N 1 3 304.409 2.778 20 0 DFADHO Cc1nccn1[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652339342 431025128 /nfs/dbraw/zinc/02/51/28/431025128.db2.gz OODNPSYZMMEERO-IBGZPJMESA-N 1 3 310.445 2.674 20 0 DFADHO COc1ccc(OCCC[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000652351205 431026640 /nfs/dbraw/zinc/02/66/40/431026640.db2.gz MUXYESFUVIHYQH-YJBOKZPZSA-N 1 3 304.434 2.525 20 0 DFADHO COc1ccc(OCCC[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000652351205 431026647 /nfs/dbraw/zinc/02/66/47/431026647.db2.gz MUXYESFUVIHYQH-YJBOKZPZSA-N 1 3 304.434 2.525 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000655494842 431028977 /nfs/dbraw/zinc/02/89/77/431028977.db2.gz OQNPSIBNUDOSON-WBVHZDCISA-N 1 3 317.477 2.655 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000655495501 431029367 /nfs/dbraw/zinc/02/93/67/431029367.db2.gz ZZKJIOJOCSRHGK-QGZVFWFLSA-N 1 3 317.477 2.799 20 0 DFADHO c1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c2c(c1)CNCC2 ZINC000662278296 431030039 /nfs/dbraw/zinc/03/00/39/431030039.db2.gz DVWHRKHXAPQTIX-QGZVFWFLSA-N 1 3 300.446 2.581 20 0 DFADHO c1cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c2c(c1)CNCC2 ZINC000662278296 431030047 /nfs/dbraw/zinc/03/00/47/431030047.db2.gz DVWHRKHXAPQTIX-QGZVFWFLSA-N 1 3 300.446 2.581 20 0 DFADHO CCc1nc2c(s1)[C@H](N(C)C[C@@H]1CCC3(C[NH2+]C3)O1)CCC2 ZINC000662278277 431030990 /nfs/dbraw/zinc/03/09/90/431030990.db2.gz DPJVIZXFDMVZFC-GXTWGEPZSA-N 1 3 321.490 2.536 20 0 DFADHO CC(C)(C)c1ccc2c(c1)CN(C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662281718 431032517 /nfs/dbraw/zinc/03/25/17/431032517.db2.gz ZPFMNEFSOMRMGS-SFHVURJKSA-N 1 3 314.473 2.863 20 0 DFADHO CO[C@H](CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000662282386 431033164 /nfs/dbraw/zinc/03/31/64/431033164.db2.gz UIYYZGYKVGZKNU-QRVBRYPASA-N 1 3 318.461 2.592 20 0 DFADHO c1cc(C[NH2+][C@H]2CCCC23CCOCC3)c2c(c1)CNCC2 ZINC000662284729 431033691 /nfs/dbraw/zinc/03/36/91/431033691.db2.gz ZMWBXRPQJMMERL-SFHVURJKSA-N 1 3 300.446 2.771 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000649295493 431060582 /nfs/dbraw/zinc/06/05/82/431060582.db2.gz OSHXDWIMYAJAKI-WMZOPIPTSA-N 1 3 315.461 2.986 20 0 DFADHO C[C@@H](NC(=O)C(C)(C)[C@@H](N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000649314632 431065426 /nfs/dbraw/zinc/06/54/26/431065426.db2.gz HPHVXTRRLMWYIP-PBHICJAKSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)CCC(C)(C)[NH3+])c1ccccc1 ZINC000649322174 431067617 /nfs/dbraw/zinc/06/76/17/431067617.db2.gz CUMFWBLAXPZKJE-AWEZNQCLSA-N 1 3 305.466 2.750 20 0 DFADHO CC(C)NCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000659284428 431012586 /nfs/dbraw/zinc/01/25/86/431012586.db2.gz DNUIWDYMHIOWGO-OAHLLOKOSA-N 1 3 303.450 2.855 20 0 DFADHO CC(C)NCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000659284428 431012587 /nfs/dbraw/zinc/01/25/87/431012587.db2.gz DNUIWDYMHIOWGO-OAHLLOKOSA-N 1 3 303.450 2.855 20 0 DFADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000645472845 431012779 /nfs/dbraw/zinc/01/27/79/431012779.db2.gz MBAFQJOFUPVCHZ-HOCLYGCPSA-N 1 3 305.466 2.559 20 0 DFADHO C[C@H](CNC(=O)C[C@H]1NCc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000659291465 431015016 /nfs/dbraw/zinc/01/50/16/431015016.db2.gz GUEXDCUJDVMHGN-IIDMSEBBSA-N 1 3 315.461 2.600 20 0 DFADHO C[C@H](CNC(=O)C[C@H]1NCc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000659291465 431015020 /nfs/dbraw/zinc/01/50/20/431015020.db2.gz GUEXDCUJDVMHGN-IIDMSEBBSA-N 1 3 315.461 2.600 20 0 DFADHO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1C ZINC000662253823 431015237 /nfs/dbraw/zinc/01/52/37/431015237.db2.gz WZIZKQMHEJCNQF-MSOLQXFVSA-N 1 3 300.446 2.961 20 0 DFADHO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1C ZINC000662253823 431015239 /nfs/dbraw/zinc/01/52/39/431015239.db2.gz WZIZKQMHEJCNQF-MSOLQXFVSA-N 1 3 300.446 2.961 20 0 DFADHO C[C@@H]1SCCN(C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1c1ccccc1 ZINC000662254979 431015410 /nfs/dbraw/zinc/01/54/10/431015410.db2.gz NDDBVYOZPUSBGL-USXIJHARSA-N 1 3 318.486 2.686 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662258046 431017660 /nfs/dbraw/zinc/01/76/60/431017660.db2.gz WHKYVLRIFQGJJM-ZACQAIPSSA-N 1 3 300.446 2.694 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662258046 431017666 /nfs/dbraw/zinc/01/76/66/431017666.db2.gz WHKYVLRIFQGJJM-ZACQAIPSSA-N 1 3 300.446 2.694 20 0 DFADHO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662257901 431018398 /nfs/dbraw/zinc/01/83/98/431018398.db2.gz SUFACQAURJPHBK-ROUUACIJSA-N 1 3 320.452 2.846 20 0 DFADHO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662257901 431018402 /nfs/dbraw/zinc/01/84/02/431018402.db2.gz SUFACQAURJPHBK-ROUUACIJSA-N 1 3 320.452 2.846 20 0 DFADHO Fc1ccccc1CC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662256539 431018419 /nfs/dbraw/zinc/01/84/19/431018419.db2.gz JDKZSJLUJSUPGC-QGZVFWFLSA-N 1 3 318.436 2.601 20 0 DFADHO Cc1cc(C[NH+](C)C)cc(NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000655749109 431112131 /nfs/dbraw/zinc/11/21/31/431112131.db2.gz PJMWNIBBHILUIY-LJQANCHMSA-N 1 3 317.477 2.722 20 0 DFADHO [NH3+]CCCN(Cc1ccccc1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662558077 431116309 /nfs/dbraw/zinc/11/63/09/431116309.db2.gz AFEGNUCPZPNEHM-IBGZPJMESA-N 1 3 323.440 2.599 20 0 DFADHO CC(C)[C@@H]([NH3+])CC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000645927562 431117833 /nfs/dbraw/zinc/11/78/33/431117833.db2.gz SPUGYNZRLKEVSB-ZBFHGGJFSA-N 1 3 305.466 2.605 20 0 DFADHO CN1CCC[C@@H](CNC(=O)CCC(C)(C)[NH3+])[C@@H]1c1cccs1 ZINC000649340913 431071191 /nfs/dbraw/zinc/07/11/91/431071191.db2.gz AMILREJCCAWCOT-XJKSGUPXSA-N 1 3 323.506 2.765 20 0 DFADHO Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCCCN1CCN(C)CC1)CC2 ZINC000655688881 431083336 /nfs/dbraw/zinc/08/33/36/431083336.db2.gz PDRBLPSPEDGBIM-IBGZPJMESA-N 1 3 315.505 2.908 20 0 DFADHO CCN1C[C@@H](CN(C)CC[C@H]2CCC[NH2+]C2)Oc2ccccc21 ZINC000649411424 431093265 /nfs/dbraw/zinc/09/32/65/431093265.db2.gz WPNHOYXTYUTGBA-IAGOWNOFSA-N 1 3 317.477 2.595 20 0 DFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2c2ccccn2)cc1 ZINC000649411723 431094547 /nfs/dbraw/zinc/09/45/47/431094547.db2.gz ZHBFLMFZHIJING-APWZRJJASA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000649411723 431094550 /nfs/dbraw/zinc/09/45/50/431094550.db2.gz ZHBFLMFZHIJING-APWZRJJASA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000649411723 431094556 /nfs/dbraw/zinc/09/45/56/431094556.db2.gz ZHBFLMFZHIJING-APWZRJJASA-N 1 3 311.429 2.970 20 0 DFADHO CCCN(C[C@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000649411910 431094582 /nfs/dbraw/zinc/09/45/82/431094582.db2.gz TVEYAQWXLWDVJN-PMACEKPBSA-N 1 3 315.505 2.973 20 0 DFADHO c1ccc(CCN2CCN(CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000649411304 431094655 /nfs/dbraw/zinc/09/46/55/431094655.db2.gz GKJMTJWKGNNTFB-UHFFFAOYSA-N 1 3 315.505 2.627 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cncnc2C)[C@H](C)C1 ZINC000655716498 431097452 /nfs/dbraw/zinc/09/74/52/431097452.db2.gz UNFKRDLIYDENJW-HFTRVMKXSA-N 1 3 320.481 2.573 20 0 DFADHO Cc1c[nH+]ccc1N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000191980334 279027333 /nfs/dbraw/zinc/02/73/33/279027333.db2.gz FBXBHGFVHYBOHX-HOTGVXAUSA-N 1 3 303.450 2.716 20 0 DFADHO Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000655780456 431134709 /nfs/dbraw/zinc/13/47/09/431134709.db2.gz ZLXFMODRRNRBLP-YJLNNSPDSA-N 1 3 310.445 2.781 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000236939415 279138114 /nfs/dbraw/zinc/13/81/14/279138114.db2.gz RJDJPQQWVMBWIG-QGZVFWFLSA-N 1 3 315.461 2.857 20 0 DFADHO CCN(C(=O)CC1([NH3+])CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000662693876 431163984 /nfs/dbraw/zinc/16/39/84/431163984.db2.gz MKUQPRJFOBIGMI-WBVHZDCISA-N 1 3 315.461 2.552 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C)CN2CCC(C)CC2)cc1 ZINC000662694014 431165594 /nfs/dbraw/zinc/16/55/94/431165594.db2.gz NODVEPDOLDFCDQ-HUUCEWRRSA-N 1 3 303.450 2.557 20 0 DFADHO CCCn1c2ccccc2nc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827293 431172121 /nfs/dbraw/zinc/17/21/21/431172121.db2.gz QOFCBPZNORPYAC-GASCZTMLSA-N 1 3 300.450 2.876 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000659897595 431176374 /nfs/dbraw/zinc/17/63/74/431176374.db2.gz YKXPRKYJYZCOOI-FUHWJXTLSA-N 1 3 316.489 2.884 20 0 DFADHO CN(CCN1CC[NH+](CC2CC=CC2)CC1)Cc1ccccc1 ZINC000659912683 431183338 /nfs/dbraw/zinc/18/33/38/431183338.db2.gz PACYOYVPNRGROX-UHFFFAOYSA-N 1 3 313.489 2.702 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2NCc3ccccc32)C[C@@H]1C ZINC000662743832 431183330 /nfs/dbraw/zinc/18/33/30/431183330.db2.gz VMBYEZPQHHFKEV-QILLFSRXSA-N 1 3 315.461 2.552 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2NCc3ccccc32)C[C@@H]1C ZINC000662743832 431183339 /nfs/dbraw/zinc/18/33/39/431183339.db2.gz VMBYEZPQHHFKEV-QILLFSRXSA-N 1 3 315.461 2.552 20 0 DFADHO CCC[C@@H](O)CN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603344 431191477 /nfs/dbraw/zinc/19/14/77/431191477.db2.gz HXKNEPQUKVTCOP-HZPDHXFCSA-N 1 3 310.507 2.971 20 0 DFADHO CCC[C@@H](O)CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603344 431191481 /nfs/dbraw/zinc/19/14/81/431191481.db2.gz HXKNEPQUKVTCOP-HZPDHXFCSA-N 1 3 310.507 2.971 20 0 DFADHO Cc1cncc(CC[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000649545608 431152903 /nfs/dbraw/zinc/15/29/03/431152903.db2.gz LDGDZWOXMVEXRK-LJQANCHMSA-N 1 3 324.472 2.781 20 0 DFADHO Cc1cncc(CC[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000649545608 431152907 /nfs/dbraw/zinc/15/29/07/431152907.db2.gz LDGDZWOXMVEXRK-LJQANCHMSA-N 1 3 324.472 2.781 20 0 DFADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Br)cn1 ZINC000655803476 431155279 /nfs/dbraw/zinc/15/52/79/431155279.db2.gz QNPQGOQUUKHGCT-GMXVVIOVSA-N 1 3 312.255 2.835 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668148 431156956 /nfs/dbraw/zinc/15/69/56/431156956.db2.gz IKJINZRZKPCNFB-AEFFLSMTSA-N 1 3 321.509 2.807 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662668148 431156963 /nfs/dbraw/zinc/15/69/63/431156963.db2.gz IKJINZRZKPCNFB-AEFFLSMTSA-N 1 3 321.509 2.807 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)C1(N)CC2(CCC2)C1)CC(C)C ZINC000662673594 431160253 /nfs/dbraw/zinc/16/02/53/431160253.db2.gz OFVMFYFFLDNPQW-HNNXBMFYSA-N 1 3 309.498 2.521 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000659980830 431219471 /nfs/dbraw/zinc/21/94/71/431219471.db2.gz ZQYAZEDRTCLRCY-WDSOQIARSA-N 1 3 304.478 2.641 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000659980830 431219477 /nfs/dbraw/zinc/21/94/77/431219477.db2.gz ZQYAZEDRTCLRCY-WDSOQIARSA-N 1 3 304.478 2.641 20 0 DFADHO C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@H](N)c1ccccc1 ZINC000662890901 431231163 /nfs/dbraw/zinc/23/11/63/431231163.db2.gz QCRTYBQHZPAHNQ-ATLSCFEFSA-N 1 3 317.477 2.689 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000646229205 431233441 /nfs/dbraw/zinc/23/34/41/431233441.db2.gz LOSHEYWJKFTHIP-GOSISDBHSA-N 1 3 318.461 2.506 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000646229205 431233446 /nfs/dbraw/zinc/23/34/46/431233446.db2.gz LOSHEYWJKFTHIP-GOSISDBHSA-N 1 3 318.461 2.506 20 0 DFADHO [NH3+]Cc1cccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000653043445 431241124 /nfs/dbraw/zinc/24/11/24/431241124.db2.gz WPODOMAPJCWWAS-QWHCGFSZSA-N 1 3 316.323 2.831 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663002304 431253553 /nfs/dbraw/zinc/25/35/53/431253553.db2.gz CYFQHXMGGAGLEA-MSOLQXFVSA-N 1 3 321.509 2.522 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663002304 431253559 /nfs/dbraw/zinc/25/35/59/431253559.db2.gz CYFQHXMGGAGLEA-MSOLQXFVSA-N 1 3 321.509 2.522 20 0 DFADHO FC1(F)C[C@H]1OCCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000660122391 431280597 /nfs/dbraw/zinc/28/05/97/431280597.db2.gz WKJFUFALXOTRCX-MRXNPFEDSA-N 1 3 316.436 2.999 20 0 DFADHO Cc1cccc(F)c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666585085 431284316 /nfs/dbraw/zinc/28/43/16/431284316.db2.gz VPYGNRKHMDTRCZ-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO Cc1cccc(F)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666585085 431284322 /nfs/dbraw/zinc/28/43/22/431284322.db2.gz VPYGNRKHMDTRCZ-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646375402 431286873 /nfs/dbraw/zinc/28/68/73/431286873.db2.gz FGTAEYHHNOUCRP-OKZBNKHCSA-N 1 3 321.509 2.522 20 0 DFADHO C[C@H](Cc1ccccn1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656201477 431304939 /nfs/dbraw/zinc/30/49/39/431304939.db2.gz PTJDGYCFDCVHLN-ZTNFWEORSA-N 1 3 323.440 2.858 20 0 DFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1CC[NH2+]C(C)(C)C ZINC000666636647 431310438 /nfs/dbraw/zinc/31/04/38/431310438.db2.gz AURUTGQCOVDLIT-QGZVFWFLSA-N 1 3 303.494 2.971 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000653117915 431269956 /nfs/dbraw/zinc/26/99/56/431269956.db2.gz ZHDVZBHLIVDAFU-NVXWUHKLSA-N 1 3 317.477 2.622 20 0 DFADHO CC(C)[NH+]1CCC(N2CCN(C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000660107907 431271720 /nfs/dbraw/zinc/27/17/20/431271720.db2.gz SHJJNBICZZBGPG-CEXWTWQISA-N 1 3 319.537 2.913 20 0 DFADHO COc1cc(CN[C@@H]2CC23CC[NH2+]CC3)ccc1OC(C)C ZINC000666950772 431418617 /nfs/dbraw/zinc/41/86/17/431418617.db2.gz GBWQDSKQKKZQCV-QGZVFWFLSA-N 1 3 304.434 2.714 20 0 DFADHO CN(C)[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416396 431419525 /nfs/dbraw/zinc/41/95/25/431419525.db2.gz QVMNNFDVXQJOLZ-SJORKVTESA-N 1 3 323.525 2.687 20 0 DFADHO CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416396 431419533 /nfs/dbraw/zinc/41/95/33/431419533.db2.gz QVMNNFDVXQJOLZ-SJORKVTESA-N 1 3 323.525 2.687 20 0 DFADHO C[NH+](C)[C@H]1CCCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416396 431419539 /nfs/dbraw/zinc/41/95/39/431419539.db2.gz QVMNNFDVXQJOLZ-SJORKVTESA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]C2CCC3(CCCO3)CC2)C[C@H](C)O1 ZINC000364948760 288159366 /nfs/dbraw/zinc/15/93/66/288159366.db2.gz FUEZOLCGXRXNEL-LPOKXYRGSA-N 1 3 324.509 2.957 20 0 DFADHO Fc1cc(Br)ccc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666952116 431422329 /nfs/dbraw/zinc/42/23/29/431422329.db2.gz GNAXEYDDTBPHAQ-CYBMUJFWSA-N 1 3 313.214 2.820 20 0 DFADHO CCCOc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666952081 431423050 /nfs/dbraw/zinc/42/30/50/431423050.db2.gz FJBFGEYDEHUEIX-QGZVFWFLSA-N 1 3 304.434 2.716 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@H]1CCC[NH2+]CC1 ZINC000666857860 431386456 /nfs/dbraw/zinc/38/64/56/431386456.db2.gz MULBTHSWHHDXPN-OCCSQVGLSA-N 1 3 309.841 2.789 20 0 DFADHO C[C@H]([NH2+]CCCc1cncn1C)[C@@H]1CCCN(C2CCC2)C1 ZINC000653614043 431459043 /nfs/dbraw/zinc/45/90/43/431459043.db2.gz LKKGGVJGPKWZSL-JKSUJKDBSA-N 1 3 304.482 2.595 20 0 DFADHO c1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc(C2CCCC2)c1 ZINC000656785241 431522353 /nfs/dbraw/zinc/52/23/53/431522353.db2.gz FYGYYPPXEWZBQT-FQEVSTJZSA-N 1 3 313.489 2.824 20 0 DFADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1CCc1ccccc1 ZINC000656701538 431485983 /nfs/dbraw/zinc/48/59/83/431485983.db2.gz XCWPJXFHTGEXJX-RTBURBONSA-N 1 3 304.478 2.785 20 0 DFADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]1CCc1ccccc1 ZINC000656701538 431485986 /nfs/dbraw/zinc/48/59/86/431485986.db2.gz XCWPJXFHTGEXJX-RTBURBONSA-N 1 3 304.478 2.785 20 0 DFADHO CC(C)Cn1nccc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000647184928 431499062 /nfs/dbraw/zinc/49/90/62/431499062.db2.gz IILOHCKARFVUOC-IRXDYDNUSA-N 1 3 322.497 2.518 20 0 DFADHO CCn1cc([C@H](C)[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cn1 ZINC000647343701 431559896 /nfs/dbraw/zinc/55/98/96/431559896.db2.gz AKLRLXDRLFWQRH-IPELMVKDSA-N 1 3 312.461 2.899 20 0 DFADHO O[C@H]1CCC[C@H](CN2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000660675154 431544761 /nfs/dbraw/zinc/54/47/61/431544761.db2.gz HAXWWUYPYMKGDH-HKUYNNGSSA-N 1 3 302.462 2.792 20 0 DFADHO CC(C)C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccncc1 ZINC000647302531 431545100 /nfs/dbraw/zinc/54/51/00/431545100.db2.gz DJWYSEYXNRPPRD-SFHVURJKSA-N 1 3 318.509 2.784 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cc(F)cc(F)c3)C2)C1 ZINC000650707403 431652830 /nfs/dbraw/zinc/65/28/30/431652830.db2.gz FEJZDPRBCLSXFG-XYPHTWIQSA-N 1 3 310.388 2.683 20 0 DFADHO Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1F ZINC000650707137 431653995 /nfs/dbraw/zinc/65/39/95/431653995.db2.gz ZGXSVDBAQKJXOP-JZXOWHBKSA-N 1 3 306.425 2.852 20 0 DFADHO Cc1nn(-c2ccncc2)cc1CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650711201 431655837 /nfs/dbraw/zinc/65/58/37/431655837.db2.gz LJRNXCNGGVPNNS-KDOFPFPSSA-N 1 3 313.449 2.525 20 0 DFADHO COCCOc1cccc(CN2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000650710878 431656850 /nfs/dbraw/zinc/65/68/50/431656850.db2.gz BLTTWCBVEFMPBR-MAUKXSAKSA-N 1 3 306.450 2.661 20 0 DFADHO C[C@@H]1CCCN(Cc2ccc(C(=O)NC3CC3)cc2)[C@H]1CC[NH3+] ZINC000650710886 431657851 /nfs/dbraw/zinc/65/78/51/431657851.db2.gz BTQNNKCEQYCMMN-KDOFPFPSSA-N 1 3 315.461 2.528 20 0 DFADHO Cc1ccc(F)cc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708375 431657982 /nfs/dbraw/zinc/65/79/82/431657982.db2.gz YVLJAXUVBKGGDA-BMGDILEWSA-N 1 3 306.425 2.852 20 0 DFADHO [NH3+]CC1(CCNCc2c(F)ccc(Br)c2F)CC1 ZINC000650714036 431658732 /nfs/dbraw/zinc/65/87/32/431658732.db2.gz OGABGPUPSGUCJB-UHFFFAOYSA-N 1 3 319.193 2.946 20 0 DFADHO CCN(C)c1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543313 431623595 /nfs/dbraw/zinc/62/35/95/431623595.db2.gz KXMJTOTVCOIHPM-MSOLQXFVSA-N 1 3 316.493 2.749 20 0 DFADHO C(c1nc2c(s1)CCCC2)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545731 431623712 /nfs/dbraw/zinc/62/37/12/431623712.db2.gz JVLFVCOXNRGAIB-UONOGXRCSA-N 1 3 305.491 2.843 20 0 DFADHO Cc1nn(C(C)C)cc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544349 431624383 /nfs/dbraw/zinc/62/43/83/431624383.db2.gz ZEXKGCFCAKFSBH-DLBZAZTESA-N 1 3 304.482 2.984 20 0 DFADHO COc1ccc(OC)c(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543306 431625617 /nfs/dbraw/zinc/62/56/17/431625617.db2.gz KXFWDWZRHBMNQK-HOTGVXAUSA-N 1 3 318.461 2.915 20 0 DFADHO CCN1CCN(c2ccc(N[C@H]3C[NH2+]C[C@@H](C)C3)c(C)c2)CC1 ZINC000647547759 431627945 /nfs/dbraw/zinc/62/79/45/431627945.db2.gz CFRQWYCPQJCEIB-DOTOQJQBSA-N 1 3 316.493 2.547 20 0 DFADHO CCC(CC)[C@@H](CNCc1ccnn1-c1ccncc1)[NH+](C)C ZINC000657303743 431661601 /nfs/dbraw/zinc/66/16/01/431661601.db2.gz PXQGCHYPYYKYQI-GOSISDBHSA-N 1 3 315.465 2.723 20 0 DFADHO CCC(CC)[C@@H](C[NH2+]Cc1ccnn1-c1ccncc1)N(C)C ZINC000657303743 431661604 /nfs/dbraw/zinc/66/16/04/431661604.db2.gz PXQGCHYPYYKYQI-GOSISDBHSA-N 1 3 315.465 2.723 20 0 DFADHO Cc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1F ZINC000650723416 431664170 /nfs/dbraw/zinc/66/41/70/431664170.db2.gz NMEWTXAHXDAVAV-NXHRZFHOSA-N 1 3 306.425 2.995 20 0 DFADHO CCOc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722190 431664463 /nfs/dbraw/zinc/66/44/63/431664463.db2.gz MYHYZXSPCDOUNL-BHIYHBOVSA-N 1 3 318.461 2.946 20 0 DFADHO COc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1F ZINC000650722454 431665661 /nfs/dbraw/zinc/66/56/61/431665661.db2.gz UGZHDFAIJZPIRA-LESCRADOSA-N 1 3 322.424 2.695 20 0 DFADHO Cc1ccc(F)c(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650723536 431665692 /nfs/dbraw/zinc/66/56/92/431665692.db2.gz PUMMCHHHDPNZAD-CGTJXYLNSA-N 1 3 306.425 2.995 20 0 DFADHO COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000657308470 431666245 /nfs/dbraw/zinc/66/62/45/431666245.db2.gz ZRQSEFGLEIGFNT-WBVHZDCISA-N 1 3 318.461 2.674 20 0 DFADHO COc1cccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650722237 431666194 /nfs/dbraw/zinc/66/61/94/431666194.db2.gz NTPBTDYWUWWKIB-CGTJXYLNSA-N 1 3 304.434 2.556 20 0 DFADHO C[C@@H](CNCc1ccnn1-c1ccncc1)[N@@H+]1CCCC[C@H]1C ZINC000657308955 431667043 /nfs/dbraw/zinc/66/70/43/431667043.db2.gz ZYJZCQPWFXTBPV-CVEARBPZSA-N 1 3 313.449 2.620 20 0 DFADHO C[C@@H](CNCc1ccnn1-c1ccncc1)[N@H+]1CCCC[C@H]1C ZINC000657308955 431667048 /nfs/dbraw/zinc/66/70/48/431667048.db2.gz ZYJZCQPWFXTBPV-CVEARBPZSA-N 1 3 313.449 2.620 20 0 DFADHO C[C@@H](C[NH2+]Cc1ccnn1-c1ccncc1)N1CCCC[C@H]1C ZINC000657308955 431667056 /nfs/dbraw/zinc/66/70/56/431667056.db2.gz ZYJZCQPWFXTBPV-CVEARBPZSA-N 1 3 313.449 2.620 20 0 DFADHO c1csc(-c2nc(CN[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)co2)c1 ZINC000647784298 431684034 /nfs/dbraw/zinc/68/40/34/431684034.db2.gz PYOMEVIVRCKCKK-FRRDWIJNSA-N 1 3 303.431 2.881 20 0 DFADHO COc1cc(F)c([C@@H](C)NCCC2CC[NH2+]CC2)cc1OC ZINC000650764173 431684073 /nfs/dbraw/zinc/68/40/73/431684073.db2.gz RPFJVFULRYVTJJ-GFCCVEGCSA-N 1 3 310.413 2.883 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCCNC1 ZINC000650760896 431684404 /nfs/dbraw/zinc/68/44/04/431684404.db2.gz OIWPVCVACKIKKH-DGCLKSJQSA-N 1 3 312.360 2.528 20 0 DFADHO C[C@@H](NCCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCC[NH2+]C1 ZINC000650760896 431684411 /nfs/dbraw/zinc/68/44/11/431684411.db2.gz OIWPVCVACKIKKH-DGCLKSJQSA-N 1 3 312.360 2.528 20 0 DFADHO Cc1cccc2nc(CC[NH2+][C@@H]3C[C@@H](N)c4ccccc43)cn21 ZINC000647804140 431693474 /nfs/dbraw/zinc/69/34/74/431693474.db2.gz JUPGAOCLOMVJSS-QZTJIDSGSA-N 1 3 306.413 2.920 20 0 DFADHO COc1ccc2oc(N[C@@H](C)C[N@H+](C)CCCN(C)C)nc2c1 ZINC000664196889 431693519 /nfs/dbraw/zinc/69/35/19/431693519.db2.gz WUAOZARNQAMUGI-ZDUSSCGKSA-N 1 3 320.437 2.520 20 0 DFADHO COc1ccc2oc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc2c1 ZINC000664196889 431693522 /nfs/dbraw/zinc/69/35/22/431693522.db2.gz WUAOZARNQAMUGI-ZDUSSCGKSA-N 1 3 320.437 2.520 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@@H]1NC1CC[NH+](CC(C)(C)O)CC1 ZINC000647909576 431725878 /nfs/dbraw/zinc/72/58/78/431725878.db2.gz YMELGZKXRYYYHS-RDTXWAMCSA-N 1 3 302.462 2.745 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000647965076 431757214 /nfs/dbraw/zinc/75/72/14/431757214.db2.gz FVJISMNJBLTEAE-DLBZAZTESA-N 1 3 322.518 2.802 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000647965076 431757223 /nfs/dbraw/zinc/75/72/23/431757223.db2.gz FVJISMNJBLTEAE-DLBZAZTESA-N 1 3 322.518 2.802 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000647972000 431758296 /nfs/dbraw/zinc/75/82/96/431758296.db2.gz FSGPIPIQVLUBFW-OTWHNJEPSA-N 1 3 304.478 2.689 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000647972000 431758302 /nfs/dbraw/zinc/75/83/02/431758302.db2.gz FSGPIPIQVLUBFW-OTWHNJEPSA-N 1 3 304.478 2.689 20 0 DFADHO Cn1ncc(C2CCC2)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000657450039 431759186 /nfs/dbraw/zinc/75/91/86/431759186.db2.gz KOGXHTZKEXKEEV-UHFFFAOYSA-N 1 3 302.466 2.652 20 0 DFADHO C[C@H](C(=O)Nc1ccccc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976912 431761224 /nfs/dbraw/zinc/76/12/24/431761224.db2.gz VZVMBICPMBJRRL-IXDOHACOSA-N 1 3 315.461 2.725 20 0 DFADHO C(c1noc2c1CCCC2)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977997 431761680 /nfs/dbraw/zinc/76/16/80/431761680.db2.gz KTOQTNBTLVAEPG-LSDHHAIUSA-N 1 3 303.450 2.765 20 0 DFADHO Cc1csc2nc(C)nc(NCC[N@@H+](C)CCCN(C)C)c12 ZINC000664248161 431716361 /nfs/dbraw/zinc/71/63/61/431716361.db2.gz PAVMPRQJWHKJRT-UHFFFAOYSA-N 1 3 321.494 2.604 20 0 DFADHO Cc1csc2nc(C)nc(NCC[N@H+](C)CCCN(C)C)c12 ZINC000664248161 431716365 /nfs/dbraw/zinc/71/63/65/431716365.db2.gz PAVMPRQJWHKJRT-UHFFFAOYSA-N 1 3 321.494 2.604 20 0 DFADHO CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@H]1CC[NH2+]C1 ZINC000647881024 431717178 /nfs/dbraw/zinc/71/71/78/431717178.db2.gz VYGAGMQYIAFWNB-AWEZNQCLSA-N 1 3 316.424 2.690 20 0 DFADHO Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000657522265 431793928 /nfs/dbraw/zinc/79/39/28/431793928.db2.gz AFSQNHHNRAFOGQ-KRWDZBQOSA-N 1 3 313.449 2.538 20 0 DFADHO CCc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000657535941 431799201 /nfs/dbraw/zinc/79/92/01/431799201.db2.gz UIMKKKXMVFJOOS-UHFFFAOYSA-N 1 3 306.450 2.823 20 0 DFADHO Fc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000657537020 431800378 /nfs/dbraw/zinc/80/03/78/431800378.db2.gz YLGNKPVCMXSTQP-UHFFFAOYSA-N 1 3 324.415 2.945 20 0 DFADHO CCc1ncc(CNCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657535687 431800571 /nfs/dbraw/zinc/80/05/71/431800571.db2.gz RVFZKLHEYVKSAC-UHFFFAOYSA-N 1 3 323.506 2.686 20 0 DFADHO COC[C@H](C)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000657483241 431776612 /nfs/dbraw/zinc/77/66/12/431776612.db2.gz NHUBAYRAMJSJGG-MIGBEJBISA-N 1 3 318.461 2.815 20 0 DFADHO CC[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000657612671 431824648 /nfs/dbraw/zinc/82/46/48/431824648.db2.gz CGVOBIMCYHDVFJ-MOPGFXCFSA-N 1 3 317.477 2.841 20 0 DFADHO c1ncc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000657613236 431825394 /nfs/dbraw/zinc/82/53/94/431825394.db2.gz JKKCOSAZQZLERJ-UHFFFAOYSA-N 1 3 302.447 2.540 20 0 DFADHO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)O1 ZINC000657662624 431834163 /nfs/dbraw/zinc/83/41/63/431834163.db2.gz DKHBPRKISPJWCG-YJBOKZPZSA-N 1 3 306.450 2.674 20 0 DFADHO Cc1ccc(NC(=O)[C@H](C2CC2)N2CCCC2)c(C[NH+](C)C)c1 ZINC000124180519 280906787 /nfs/dbraw/zinc/90/67/87/280906787.db2.gz HJTGTKFKOJJYJC-SFHVURJKSA-N 1 3 315.461 2.870 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@H](C)C2 ZINC000180078134 281116268 /nfs/dbraw/zinc/11/62/68/281116268.db2.gz RXUSROOQZHDMNW-OXQOHEQNSA-N 1 3 315.505 2.844 20 0 DFADHO CCC(CC)(C[NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000236674708 282071644 /nfs/dbraw/zinc/07/16/44/282071644.db2.gz PELQTDODDVKYFQ-CQSZACIVSA-N 1 3 323.506 2.766 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C(C)(C)N)C1 ZINC000164843952 288479195 /nfs/dbraw/zinc/47/91/95/288479195.db2.gz OKMYERLYPBWMCU-HUUCEWRRSA-N 1 3 317.477 2.518 20 0 DFADHO COC[C@H](C)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000375020248 293035949 /nfs/dbraw/zinc/03/59/49/293035949.db2.gz MQCAOYNKYLBSSN-GOEBONIOSA-N 1 3 304.434 2.599 20 0 DFADHO O[C@@H]1CCCC[C@H]1CCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000436470068 297004646 /nfs/dbraw/zinc/00/46/46/297004646.db2.gz HYJMFHWPEGMESZ-QFBILLFUSA-N 1 3 317.477 2.971 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437848972 297071825 /nfs/dbraw/zinc/07/18/25/297071825.db2.gz XILHEGPOVKHPFS-ROUUACIJSA-N 1 3 321.509 2.774 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437848972 297071827 /nfs/dbraw/zinc/07/18/27/297071827.db2.gz XILHEGPOVKHPFS-ROUUACIJSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437870770 297073027 /nfs/dbraw/zinc/07/30/27/297073027.db2.gz SSLAZBQQFCQNKG-SOLBZPMBSA-N 1 3 321.509 2.773 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437870770 297073028 /nfs/dbraw/zinc/07/30/28/297073028.db2.gz SSLAZBQQFCQNKG-SOLBZPMBSA-N 1 3 321.509 2.773 20 0 DFADHO C[N@H+](CC[C@@H]1CCOC1)CC1CCN(c2ccncc2)CC1 ZINC000437989324 297076967 /nfs/dbraw/zinc/07/69/67/297076967.db2.gz SUYTULQKGQLOIE-QGZVFWFLSA-N 1 3 303.450 2.656 20 0 DFADHO C[N@@H+](CC[C@@H]1CCOC1)CC1CCN(c2ccncc2)CC1 ZINC000437989324 297076968 /nfs/dbraw/zinc/07/69/68/297076968.db2.gz SUYTULQKGQLOIE-QGZVFWFLSA-N 1 3 303.450 2.656 20 0 DFADHO COc1ccc(OC)c(CN(CC2CC[NH2+]CC2)C2CC2)c1 ZINC000237378455 295175588 /nfs/dbraw/zinc/17/55/88/295175588.db2.gz BJDPBXWQAHYKGC-UHFFFAOYSA-N 1 3 304.434 2.668 20 0 DFADHO CCc1nc(C)c([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)s1 ZINC000154342374 295297815 /nfs/dbraw/zinc/29/78/15/295297815.db2.gz BRBBMCBVTITAKN-CQSZACIVSA-N 1 3 324.538 2.692 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000154362004 295298680 /nfs/dbraw/zinc/29/86/80/295298680.db2.gz TXUMFRWPXXLURQ-KRWDZBQOSA-N 1 3 319.518 2.841 20 0 DFADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000158167907 295359314 /nfs/dbraw/zinc/35/93/14/295359314.db2.gz ATFCVZGTJKZFTK-HUUCEWRRSA-N 1 3 317.433 2.636 20 0 DFADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000158167907 295359315 /nfs/dbraw/zinc/35/93/15/295359315.db2.gz ATFCVZGTJKZFTK-HUUCEWRRSA-N 1 3 317.433 2.636 20 0 DFADHO CCC[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccccn1 ZINC000159308099 295375287 /nfs/dbraw/zinc/37/52/87/295375287.db2.gz YXYLPOZZVDZZPF-KRWDZBQOSA-N 1 3 304.482 2.538 20 0 DFADHO Cc1ccc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000397515322 295487895 /nfs/dbraw/zinc/48/78/95/295487895.db2.gz SCPURFQNLQSDTA-UHFFFAOYSA-N 1 3 314.429 2.705 20 0 DFADHO c1ccc(CCN2CC[C@H](C[NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000438218153 297085088 /nfs/dbraw/zinc/08/50/88/297085088.db2.gz XWWOCRHVKHWNAE-RBUKOAKNSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439027181 297112529 /nfs/dbraw/zinc/11/25/29/297112529.db2.gz NMNXWOJTQZCGBG-HUUCEWRRSA-N 1 3 323.506 2.511 20 0 DFADHO CCOc1c(OC)cc(CN2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442922281 297211283 /nfs/dbraw/zinc/21/12/83/297211283.db2.gz KEMKEVLCDHGHDB-CQSZACIVSA-N 1 3 322.449 2.663 20 0 DFADHO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000443059889 297213741 /nfs/dbraw/zinc/21/37/41/297213741.db2.gz NSKOZGIEXGMHPF-GVDBMIGSSA-N 1 3 317.477 2.622 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1(C)C ZINC000443068371 297214930 /nfs/dbraw/zinc/21/49/30/297214930.db2.gz KNBBBOUUEPJPRL-GJZGRUSLSA-N 1 3 313.555 2.522 20 0 DFADHO Cc1ccc([C@@H](C)NC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1C ZINC000443068428 297214968 /nfs/dbraw/zinc/21/49/68/297214968.db2.gz ICOBGTUZEJCNLE-IAGOWNOFSA-N 1 3 317.477 2.541 20 0 DFADHO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000443640674 297223722 /nfs/dbraw/zinc/22/37/22/297223722.db2.gz NVARDICWMHIMRZ-BZSNNMDCSA-N 1 3 323.525 2.661 20 0 DFADHO c1nc([C@H]2CCCO2)sc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446885728 297289668 /nfs/dbraw/zinc/28/96/68/297289668.db2.gz YIAARVFEVLGENS-MRXNPFEDSA-N 1 3 321.490 2.959 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(C)cn2)C[C@@H]1C ZINC000447007939 297292604 /nfs/dbraw/zinc/29/26/04/297292604.db2.gz RVKSQZZWDRUIGZ-HOTGVXAUSA-N 1 3 318.465 2.523 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(C)cn2)C[C@@H]1C ZINC000447007939 297292605 /nfs/dbraw/zinc/29/26/05/297292605.db2.gz RVKSQZZWDRUIGZ-HOTGVXAUSA-N 1 3 318.465 2.523 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc3cccnc3o2)C1 ZINC000449039564 297395989 /nfs/dbraw/zinc/39/59/89/297395989.db2.gz ZWEBUHBHTZCUHM-MRXNPFEDSA-N 1 3 317.433 2.761 20 0 DFADHO CN1CCCN(CCC[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453096834 298061649 /nfs/dbraw/zinc/06/16/49/298061649.db2.gz IMJXGMRRKNCXLC-UHFFFAOYSA-N 1 3 315.505 2.551 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000453298256 298081102 /nfs/dbraw/zinc/08/11/02/298081102.db2.gz SFLKYVHMBXSGFV-WMLDXEAASA-N 1 3 306.450 2.845 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000453346524 298086164 /nfs/dbraw/zinc/08/61/64/298086164.db2.gz IGRWUSVFGBPREX-CPUCHLNUSA-N 1 3 316.424 2.830 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnc(C)cc2C)[C@@H](C)C1 ZINC000453367155 298086882 /nfs/dbraw/zinc/08/68/82/298086882.db2.gz PRICJADTEQDOGV-LPHOPBHVSA-N 1 3 319.493 2.925 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnc(C)cc2C)[C@H](C)C1 ZINC000453367152 298086954 /nfs/dbraw/zinc/08/69/54/298086954.db2.gz PRICJADTEQDOGV-APWZRJJASA-N 1 3 319.493 2.925 20 0 DFADHO CC[C@H](O)[C@H](CC)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000453378391 298088259 /nfs/dbraw/zinc/08/82/59/298088259.db2.gz QMKIODYDOPVAGJ-JLSDUUJJSA-N 1 3 308.466 2.827 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H](CO)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000453411336 298091666 /nfs/dbraw/zinc/09/16/66/298091666.db2.gz AKEGPDLRVWXVPZ-QRQLOZEOSA-N 1 3 304.478 2.527 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H](CO)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000453411336 298091669 /nfs/dbraw/zinc/09/16/69/298091669.db2.gz AKEGPDLRVWXVPZ-QRQLOZEOSA-N 1 3 304.478 2.527 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000454353819 298160459 /nfs/dbraw/zinc/16/04/59/298160459.db2.gz CUIXRJXNFOJROY-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000454353819 298160461 /nfs/dbraw/zinc/16/04/61/298160461.db2.gz CUIXRJXNFOJROY-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO C[C@H](c1cccc(F)c1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000455653609 298396457 /nfs/dbraw/zinc/39/64/57/298396457.db2.gz JLJULJMOOFGYLZ-OAHLLOKOSA-N 1 3 305.441 2.504 20 0 DFADHO c1ccc(-c2nnc([C@@H]3CCC[N@H+]3CC3CC[NH2+]CC3)[n-]2)cc1 ZINC000455664119 298399029 /nfs/dbraw/zinc/39/90/29/298399029.db2.gz SZIWSDVLHXODEA-INIZCTEOSA-N 1 3 311.433 2.608 20 0 DFADHO c1ccc(-c2nnc([C@@H]3CCC[N@@H+]3CC3CC[NH2+]CC3)[n-]2)cc1 ZINC000455664119 298399033 /nfs/dbraw/zinc/39/90/33/298399033.db2.gz SZIWSDVLHXODEA-INIZCTEOSA-N 1 3 311.433 2.608 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(N2CCOC2=O)c1 ZINC000496161542 300023885 /nfs/dbraw/zinc/02/38/85/300023885.db2.gz NQCFDTGFFIJJAG-DAXOMENPSA-N 1 3 303.406 2.564 20 0 DFADHO C[C@@H](c1cccc(N2CCOC2=O)c1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000496752592 300109105 /nfs/dbraw/zinc/10/91/05/300109105.db2.gz LKLCZXNCDIEYAS-QWQRMKEZSA-N 1 3 317.433 2.621 20 0 DFADHO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000496752592 300109106 /nfs/dbraw/zinc/10/91/06/300109106.db2.gz LKLCZXNCDIEYAS-QWQRMKEZSA-N 1 3 317.433 2.621 20 0 DFADHO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000496752592 300109107 /nfs/dbraw/zinc/10/91/07/300109107.db2.gz LKLCZXNCDIEYAS-QWQRMKEZSA-N 1 3 317.433 2.621 20 0 DFADHO CCC[C@H](C)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000500994441 300210019 /nfs/dbraw/zinc/21/00/19/300210019.db2.gz UFUQOAWNCLDUDU-KRWDZBQOSA-N 1 3 319.493 2.938 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@@H](C)[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000514930473 300279933 /nfs/dbraw/zinc/27/99/33/300279933.db2.gz IIKSZSYBDCDBER-BBWFWOEESA-N 1 3 317.477 2.642 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cccc(-c2cccnc2)c1 ZINC000516173917 300332506 /nfs/dbraw/zinc/33/25/06/300332506.db2.gz MUSKRZDQPKWMMW-JVPBZIDWSA-N 1 3 311.429 2.591 20 0 DFADHO CC(C)CN1CCC([NH2+]C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000516562973 300348481 /nfs/dbraw/zinc/34/84/81/300348481.db2.gz LFOMMNXEKOGMFK-LPHOPBHVSA-N 1 3 304.478 2.861 20 0 DFADHO CC(C)CN1CCC([NH2+]C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000516562972 300348826 /nfs/dbraw/zinc/34/88/26/300348826.db2.gz LFOMMNXEKOGMFK-APWZRJJASA-N 1 3 304.478 2.861 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000518999537 300440736 /nfs/dbraw/zinc/44/07/36/300440736.db2.gz DZEXSSQJFLSLNC-ZFWWWQNUSA-N 1 3 309.841 2.918 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530214331 301029299 /nfs/dbraw/zinc/02/92/99/301029299.db2.gz XTMXYTPVEVKOLO-ZOCIIQOWSA-N 1 3 302.462 2.524 20 0 DFADHO CC(C)C[N@H+](CCc1ccc(F)cc1)C[C@H]1CCC2(CNC2)O1 ZINC000530238335 301033168 /nfs/dbraw/zinc/03/31/68/301033168.db2.gz PFICOAJVJJNHAY-GOSISDBHSA-N 1 3 320.452 2.847 20 0 DFADHO CC(C)C[N@@H+](CCc1ccc(F)cc1)C[C@H]1CCC2(CNC2)O1 ZINC000530238335 301033170 /nfs/dbraw/zinc/03/31/70/301033170.db2.gz PFICOAJVJJNHAY-GOSISDBHSA-N 1 3 320.452 2.847 20 0 DFADHO Clc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530238862 301033497 /nfs/dbraw/zinc/03/34/97/301033497.db2.gz OPRRBQUYYOYGQO-KRWDZBQOSA-N 1 3 308.853 2.931 20 0 DFADHO CCOc1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248369 301033793 /nfs/dbraw/zinc/03/37/93/301033793.db2.gz KDPRYYZGGFZWEA-IBGZPJMESA-N 1 3 318.461 2.676 20 0 DFADHO C(=C\c1ccccc1)\CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249309 301034191 /nfs/dbraw/zinc/03/41/91/301034191.db2.gz VAHNYLFITLJXBG-OCTSTCLRSA-N 1 3 300.446 2.790 20 0 DFADHO COc1cc(C)ccc1[C@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000531738270 301107230 /nfs/dbraw/zinc/10/72/30/301107230.db2.gz DRHFSBIPALLUDC-INIZCTEOSA-N 1 3 319.493 2.680 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531954934 301120921 /nfs/dbraw/zinc/12/09/21/301120921.db2.gz IKVLAAYNQNNNFF-UONOGXRCSA-N 1 3 301.434 2.564 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NCC[N@@H+]2CC[C@H](C)C2)c(C)c1 ZINC000531983832 301123283 /nfs/dbraw/zinc/12/32/83/301123283.db2.gz ZYTQKESHLVYEKX-DOTOQJQBSA-N 1 3 317.477 2.952 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NCC[N@H+]2CC[C@H](C)C2)c(C)c1 ZINC000531983832 301123286 /nfs/dbraw/zinc/12/32/86/301123286.db2.gz ZYTQKESHLVYEKX-DOTOQJQBSA-N 1 3 317.477 2.952 20 0 DFADHO Cc1cn2c(n1)[C@@H](C[NH2+]C1CCN(CC3CC3)CC1)CCC2 ZINC000531988332 301123755 /nfs/dbraw/zinc/12/37/55/301123755.db2.gz GMPHVPIHASJETE-MRXNPFEDSA-N 1 3 302.466 2.533 20 0 DFADHO Cc1cn2c(n1)[C@@H](CNC1CC[NH+](CC3CC3)CC1)CCC2 ZINC000531988332 301123757 /nfs/dbraw/zinc/12/37/57/301123757.db2.gz GMPHVPIHASJETE-MRXNPFEDSA-N 1 3 302.466 2.533 20 0 DFADHO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000532221124 301137545 /nfs/dbraw/zinc/13/75/45/301137545.db2.gz RZAWPSLVNQPRAK-SJLPKXTDSA-N 1 3 317.477 2.646 20 0 DFADHO C[C@@H](CC(=O)N1CCCCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000532461964 301154435 /nfs/dbraw/zinc/15/44/35/301154435.db2.gz RWCSLMKJUOWEAH-INIZCTEOSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H]1CCN(CCNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000532531760 301158707 /nfs/dbraw/zinc/15/87/07/301158707.db2.gz CLZAYBRWLHNTJU-LMMKCTJWSA-N 1 3 307.526 2.961 20 0 DFADHO C[C@H](CCC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000532760286 301170737 /nfs/dbraw/zinc/17/07/37/301170737.db2.gz JGCXYUJWUVFXCB-QGZVFWFLSA-N 1 3 319.493 2.522 20 0 DFADHO COC(=O)c1cc(CN2CCC(CCC[NH+](C)C)CC2)c(C)o1 ZINC000535043759 301244894 /nfs/dbraw/zinc/24/48/94/301244894.db2.gz PRGLDNNFIZJANJ-UHFFFAOYSA-N 1 3 322.449 2.928 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000535229318 301251661 /nfs/dbraw/zinc/25/16/61/301251661.db2.gz KZNMXDUCFHMYJU-OKZBNKHCSA-N 1 3 323.525 2.545 20 0 DFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(F)c1F ZINC000538454533 301321725 /nfs/dbraw/zinc/32/17/25/301321725.db2.gz XIFAMFAMWROEIM-AWEZNQCLSA-N 1 3 311.420 2.643 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1CCN(C)CC1)[C@H](C)C2 ZINC000538709292 301328631 /nfs/dbraw/zinc/32/86/31/301328631.db2.gz CEZQELKIXZHRHK-YLJYHZDGSA-N 1 3 315.505 2.846 20 0 DFADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000552043305 301678277 /nfs/dbraw/zinc/67/82/77/301678277.db2.gz GYSQBYJBUHFWPB-ROUUACIJSA-N 1 3 307.526 2.961 20 0 DFADHO CC[C@H]1CCC[C@H]([NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000552065326 301679491 /nfs/dbraw/zinc/67/94/91/301679491.db2.gz QXUACSYDKDWIEE-IRXDYDNUSA-N 1 3 309.498 2.537 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000562958969 302017867 /nfs/dbraw/zinc/01/78/67/302017867.db2.gz ZSFIWHHIEYJBBY-FCGDIQPGSA-N 1 3 323.525 2.530 20 0 DFADHO COC1CCN(C2(C[NH2+][C@@H]3CCCC[C@H]3CN)CCCC2)CC1 ZINC000562959220 302018065 /nfs/dbraw/zinc/01/80/65/302018065.db2.gz IQQBPPBWRAOEBV-FUHWJXTLSA-N 1 3 323.525 2.517 20 0 DFADHO CC1CC[NH+](C2CCC(NC[C@H](O)C(F)(F)F)CC2)CC1 ZINC000562995796 302023046 /nfs/dbraw/zinc/02/30/46/302023046.db2.gz FHGSZKUISBKNNP-RUXDESIVSA-N 1 3 308.388 2.542 20 0 DFADHO CCN1CCN(c2ccc(N[C@@H]3CCC[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000563425017 302071613 /nfs/dbraw/zinc/07/16/13/302071613.db2.gz ODYXVDSKGFRIBH-DLBZAZTESA-N 1 3 316.493 2.819 20 0 DFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)CCCC[NH+](C)C ZINC000564345426 302130948 /nfs/dbraw/zinc/13/09/48/302130948.db2.gz CAIXOAJGUGLXBF-UHFFFAOYSA-N 1 3 319.493 2.745 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000564649642 302147130 /nfs/dbraw/zinc/14/71/30/302147130.db2.gz HVGJEGHEAZWQIB-ZOBUZTSGSA-N 1 3 303.450 2.819 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000564649642 302147131 /nfs/dbraw/zinc/14/71/31/302147131.db2.gz HVGJEGHEAZWQIB-ZOBUZTSGSA-N 1 3 303.450 2.819 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cncc(Br)c1 ZINC000564742271 302155918 /nfs/dbraw/zinc/15/59/18/302155918.db2.gz YBPTUXHOFGGWQH-NEPJUHHUSA-N 1 3 324.266 2.979 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C2CCC2)cc1 ZINC000564791185 302158789 /nfs/dbraw/zinc/15/87/89/302158789.db2.gz CUJPNDISTIYSLF-UHFFFAOYSA-N 1 3 317.477 2.520 20 0 DFADHO Cc1c([C@H](C)NCC[C@H]2CC[NH2+]C2)nnn1-c1ccc(C)cc1 ZINC000564821888 302161086 /nfs/dbraw/zinc/16/10/86/302161086.db2.gz ABIZQJDFENBSSI-GOEBONIOSA-N 1 3 313.449 2.534 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC[C@@](C)(O)C(F)(F)F)c1 ZINC000564845058 302162893 /nfs/dbraw/zinc/16/28/93/302162893.db2.gz PINFVRAUYWLTNR-OAHLLOKOSA-N 1 3 318.383 2.931 20 0 DFADHO CC(C)[NH+](CCCNC(=O)[C@H](C)[C@@H](N)c1ccccc1)C(C)C ZINC000564924698 302173992 /nfs/dbraw/zinc/17/39/92/302173992.db2.gz NYINMWYERLXTHC-SJLPKXTDSA-N 1 3 319.493 2.948 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000564989678 302179604 /nfs/dbraw/zinc/17/96/04/302179604.db2.gz WXADCXZFBUJJFX-QZTJIDSGSA-N 1 3 311.429 2.622 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000564989678 302179607 /nfs/dbraw/zinc/17/96/07/302179607.db2.gz WXADCXZFBUJJFX-QZTJIDSGSA-N 1 3 311.429 2.622 20 0 DFADHO Cc1cc(C)n(-c2ccccc2CN[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000566056385 302255929 /nfs/dbraw/zinc/25/59/29/302255929.db2.gz XYNFBWZNALXXSI-IRXDYDNUSA-N 1 3 312.461 2.967 20 0 DFADHO CN(C)Cc1cccc(C(=O)Nc2cccc3c2CC[NH2+]C3)c1 ZINC000566560511 302295172 /nfs/dbraw/zinc/29/51/72/302295172.db2.gz WNPSKFCYITTXQO-UHFFFAOYSA-N 1 3 309.413 2.646 20 0 DFADHO CC(C)[NH2+]CCCNC1CCC2(CC1)c1ccccc1NC2=O ZINC000566908952 302321179 /nfs/dbraw/zinc/32/11/79/302321179.db2.gz NTKRIDQRGDCECN-UHFFFAOYSA-N 1 3 315.461 2.797 20 0 DFADHO CC(C)NCCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000566908952 302321181 /nfs/dbraw/zinc/32/11/81/302321181.db2.gz NTKRIDQRGDCECN-UHFFFAOYSA-N 1 3 315.461 2.797 20 0 DFADHO C[C@H]([NH2+]CC1(N)CCCCCC1)c1ccccc1-n1ccnn1 ZINC000567638766 302375509 /nfs/dbraw/zinc/37/55/09/302375509.db2.gz AJXWEMJZYBXHCE-HNNXBMFYSA-N 1 3 313.449 2.970 20 0 DFADHO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2N)c2ccccc21 ZINC000567648426 302376292 /nfs/dbraw/zinc/37/62/92/302376292.db2.gz QGCHHVPNEQLIEL-IXDOHACOSA-N 1 3 301.434 2.734 20 0 DFADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCCCCN1 ZINC000568397904 302447452 /nfs/dbraw/zinc/44/74/52/302447452.db2.gz GAYNQSBAEFXMHT-GOSISDBHSA-N 1 3 315.461 2.796 20 0 DFADHO CC[C@@H](N)C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000569217277 302505735 /nfs/dbraw/zinc/50/57/35/302505735.db2.gz BOGJPXNQIMTYES-USXIJHARSA-N 1 3 305.466 2.605 20 0 DFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CCCCC[NH2+]1 ZINC000364462702 303803492 /nfs/dbraw/zinc/80/34/92/303803492.db2.gz PTYKHGWVVZRRRP-LSDHHAIUSA-N 1 3 321.490 2.533 20 0 DFADHO CCO[C@@H]1C[C@H](NCc2ccccc2OCC[NH+](C)C)C1(C)C ZINC000181627155 316065915 /nfs/dbraw/zinc/06/59/15/316065915.db2.gz NAWQQRMDSHCQGU-ZWKOTPCHSA-N 1 3 320.477 2.920 20 0 DFADHO C[C@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)N1CCCCCC1 ZINC000182224242 316090780 /nfs/dbraw/zinc/09/07/80/316090780.db2.gz GVQJBTSHOKOWFW-DLBZAZTESA-N 1 3 309.498 2.632 20 0 DFADHO CC(C)N1CC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000318833437 316249925 /nfs/dbraw/zinc/24/99/25/316249925.db2.gz XYWWUFMNUPYQFF-QGZVFWFLSA-N 1 3 301.478 2.975 20 0 DFADHO Cc1cc(C)c([C@@H](C)N2CCN([C@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000319119801 316250803 /nfs/dbraw/zinc/25/08/03/316250803.db2.gz UOAABROFKIGCDL-MSOLQXFVSA-N 1 3 301.478 2.652 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H](c2ccccc2OC)N(C)C)[C@H](C)C1 ZINC000345248264 316316647 /nfs/dbraw/zinc/31/66/47/316316647.db2.gz KDYHZYBPYHDWBQ-BPQIPLTHSA-N 1 3 319.493 2.618 20 0 DFADHO CC[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C)cc1 ZINC000346111986 316318213 /nfs/dbraw/zinc/31/82/13/316318213.db2.gz VIYSMWFFIOBIBP-MSOLQXFVSA-N 1 3 317.477 2.623 20 0 DFADHO CC[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C)cc1 ZINC000346111986 316318215 /nfs/dbraw/zinc/31/82/15/316318215.db2.gz VIYSMWFFIOBIBP-MSOLQXFVSA-N 1 3 317.477 2.623 20 0 DFADHO COC[C@](C)(CCO)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000411334072 316590629 /nfs/dbraw/zinc/59/06/29/316590629.db2.gz OTTLCVIBBICHER-IBGZPJMESA-N 1 3 320.477 2.550 20 0 DFADHO COc1cc(CN[C@@H]2CCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000414801056 316662306 /nfs/dbraw/zinc/66/23/06/316662306.db2.gz SYYLXJBIPDIDMZ-NWDGAFQWSA-N 1 3 300.349 2.514 20 0 DFADHO Cc1nn(C)c2ncc(CNCc3ccc([C@@H](C)[NH3+])cc3)cc12 ZINC000414802859 316663608 /nfs/dbraw/zinc/66/36/08/316663608.db2.gz BXUCHDWLPPPFAE-GFCCVEGCSA-N 1 3 309.417 2.586 20 0 DFADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(N3CCCC3)nc2)cc1 ZINC000414810083 316665322 /nfs/dbraw/zinc/66/53/22/316665322.db2.gz NKTFZTLTYGAAHL-HNNXBMFYSA-N 1 3 310.445 2.991 20 0 DFADHO CC(C)[C@H](C[NH3+])C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000433178250 316886329 /nfs/dbraw/zinc/88/63/29/316886329.db2.gz WHJPKUYORLSYNB-KRWDZBQOSA-N 1 3 303.450 2.842 20 0 DFADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@@H](C)O ZINC000449546531 317040368 /nfs/dbraw/zinc/04/03/68/317040368.db2.gz WAILYJHITWEOCJ-RXABAKJHSA-N 1 3 302.462 2.646 20 0 DFADHO c1cnn(CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453140543 317164830 /nfs/dbraw/zinc/16/48/30/317164830.db2.gz QJFRVCIJTWABMX-HSALFYBXSA-N 1 3 324.472 2.916 20 0 DFADHO c1cnn(CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453140543 317164834 /nfs/dbraw/zinc/16/48/34/317164834.db2.gz QJFRVCIJTWABMX-HSALFYBXSA-N 1 3 324.472 2.916 20 0 DFADHO COc1ccccc1[C@H](CNC1CC[NH+](C2CC2)CC1)N(C)C ZINC000459364843 317322325 /nfs/dbraw/zinc/32/23/25/317322325.db2.gz JPSURGXUSDILSU-SFHVURJKSA-N 1 3 317.477 2.514 20 0 DFADHO CCc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1C ZINC000526162993 317738193 /nfs/dbraw/zinc/73/81/93/317738193.db2.gz WPRUDTIKUAVOJY-UHFFFAOYSA-N 1 3 320.481 2.515 20 0 DFADHO CN[C@H](C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000574531107 318023240 /nfs/dbraw/zinc/02/32/40/318023240.db2.gz LKEYRVXVYFNBKZ-OAHLLOKOSA-N 1 3 317.477 2.675 20 0 DFADHO CN[C@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000574531107 318023243 /nfs/dbraw/zinc/02/32/43/318023243.db2.gz LKEYRVXVYFNBKZ-OAHLLOKOSA-N 1 3 317.477 2.675 20 0 DFADHO C[NH+](C)Cc1ccc(NC(=O)[C@H](CN)c2ccc(F)cc2)cc1 ZINC000574634391 318029596 /nfs/dbraw/zinc/02/95/96/318029596.db2.gz MFNSRIXWCQXEMY-QGZVFWFLSA-N 1 3 315.392 2.568 20 0 DFADHO C[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)Cn1cccn1 ZINC000575019358 318058020 /nfs/dbraw/zinc/05/80/20/318058020.db2.gz SDBBZQMTQBRGLM-MRXNPFEDSA-N 1 3 304.482 2.906 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000576338015 318119226 /nfs/dbraw/zinc/11/92/26/318119226.db2.gz APPANHCVPIJCPL-TZMCWYRMSA-N 1 3 320.824 2.650 20 0 DFADHO COc1cc(F)c(CNCC2CC[NH+](C3CC3)CC2)cc1OC ZINC000576349450 318120524 /nfs/dbraw/zinc/12/05/24/318120524.db2.gz DDEMYUIZAZKQJC-UHFFFAOYSA-N 1 3 322.424 2.807 20 0 DFADHO C[N@H+](C[C@H](O)CNCCc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000576389810 318122670 /nfs/dbraw/zinc/12/26/70/318122670.db2.gz DNEIVNGNWMESLN-OAHLLOKOSA-N 1 3 317.260 2.581 20 0 DFADHO C[N@@H+](C[C@H](O)CNCCc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000576389810 318122672 /nfs/dbraw/zinc/12/26/72/318122672.db2.gz DNEIVNGNWMESLN-OAHLLOKOSA-N 1 3 317.260 2.581 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCCNC1 ZINC000576726018 318146329 /nfs/dbraw/zinc/14/63/29/318146329.db2.gz ZQAOBCHFFPNTOU-GDBMZVCRSA-N 1 3 303.450 2.698 20 0 DFADHO C[C@H](NC[C@H](O)Cc1cccc(Cl)c1)C(C)(C)C[NH+](C)C ZINC000577366030 318187958 /nfs/dbraw/zinc/18/79/58/318187958.db2.gz MCPCBNUEAUIXJW-XJKSGUPXSA-N 1 3 312.885 2.809 20 0 DFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000577710647 318211552 /nfs/dbraw/zinc/21/15/52/318211552.db2.gz CASVZCXQBUNBBY-UONOGXRCSA-N 1 3 316.449 2.532 20 0 DFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000577710647 318211553 /nfs/dbraw/zinc/21/15/53/318211553.db2.gz CASVZCXQBUNBBY-UONOGXRCSA-N 1 3 316.449 2.532 20 0 DFADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000577740104 318213919 /nfs/dbraw/zinc/21/39/19/318213919.db2.gz GOZONXDGSVOFHU-IIAWOOMASA-N 1 3 314.433 2.818 20 0 DFADHO C[C@H]([NH2+]C[C@H]1NCCCC1(C)C)c1cccc(-n2ccnn2)c1 ZINC000578005458 318231647 /nfs/dbraw/zinc/23/16/47/318231647.db2.gz NIFQRQLPUKHKGI-WMLDXEAASA-N 1 3 313.449 2.696 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000578127546 318239401 /nfs/dbraw/zinc/23/94/01/318239401.db2.gz CVJYNZLMWIKZCM-GXTWGEPZSA-N 1 3 307.413 2.535 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000578127546 318239403 /nfs/dbraw/zinc/23/94/03/318239403.db2.gz CVJYNZLMWIKZCM-GXTWGEPZSA-N 1 3 307.413 2.535 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000578127547 318239492 /nfs/dbraw/zinc/23/94/92/318239492.db2.gz CVJYNZLMWIKZCM-JSGCOSHPSA-N 1 3 307.413 2.535 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000578127547 318239495 /nfs/dbraw/zinc/23/94/95/318239495.db2.gz CVJYNZLMWIKZCM-JSGCOSHPSA-N 1 3 307.413 2.535 20 0 DFADHO CCOC(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000578511846 318266072 /nfs/dbraw/zinc/26/60/72/318266072.db2.gz IBYQRBKQGDCALV-HNNXBMFYSA-N 1 3 324.490 2.763 20 0 DFADHO CCOC(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000578511846 318266074 /nfs/dbraw/zinc/26/60/74/318266074.db2.gz IBYQRBKQGDCALV-HNNXBMFYSA-N 1 3 324.490 2.763 20 0 DFADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCCN1CCC(C)CC1 ZINC000578846933 318289099 /nfs/dbraw/zinc/28/90/99/318289099.db2.gz OOYNWKNLPUAFSB-HKUYNNGSSA-N 1 3 304.478 2.863 20 0 DFADHO COc1cc(OC)c(C[C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000578882403 318292788 /nfs/dbraw/zinc/29/27/88/318292788.db2.gz KQPLDXODAYALQL-IHRRRGAJSA-N 1 3 322.449 2.503 20 0 DFADHO C[C@@H](c1ccccc1)[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000578981624 318299350 /nfs/dbraw/zinc/29/93/50/318299350.db2.gz PSCGQSYIIJUYGS-RMPXNZIMSA-N 1 3 302.462 2.756 20 0 DFADHO C[C@@H](c1ccccc1)[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000578981624 318299352 /nfs/dbraw/zinc/29/93/52/318299352.db2.gz PSCGQSYIIJUYGS-RMPXNZIMSA-N 1 3 302.462 2.756 20 0 DFADHO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(CN(C)C)cc1 ZINC000579392127 318327679 /nfs/dbraw/zinc/32/76/79/318327679.db2.gz XLAWLYKQEXSGJT-GOSISDBHSA-N 1 3 317.477 2.695 20 0 DFADHO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc(CN(C)C)cc1 ZINC000579392127 318327683 /nfs/dbraw/zinc/32/76/83/318327683.db2.gz XLAWLYKQEXSGJT-GOSISDBHSA-N 1 3 317.477 2.695 20 0 DFADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000580168831 318380402 /nfs/dbraw/zinc/38/04/02/318380402.db2.gz MMUVJXXRMMWEIL-IIAWOOMASA-N 1 3 300.450 2.991 20 0 DFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000387494150 323325170 /nfs/dbraw/zinc/32/51/70/323325170.db2.gz AZVXJSLAKOGOIW-DOTOQJQBSA-N 1 3 319.493 2.647 20 0 DFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccccc1CN(C)C ZINC000580835625 323441286 /nfs/dbraw/zinc/44/12/86/323441286.db2.gz JZZVKOPVAQYGKH-OAHLLOKOSA-N 1 3 317.477 2.551 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]CCCCN2CCN(C)CC2)c2ccccc21 ZINC000581215612 323491878 /nfs/dbraw/zinc/49/18/78/323491878.db2.gz VIWMKHXFIWKNTE-QFBILLFUSA-N 1 3 301.478 2.852 20 0 DFADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccncc1OCCN(C)C ZINC000581630788 323552124 /nfs/dbraw/zinc/55/21/24/323552124.db2.gz CXNNXYLDUNUGOZ-DLBZAZTESA-N 1 3 305.466 2.936 20 0 DFADHO Cc1nc2ccccc2n1CCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000584285599 332212794 /nfs/dbraw/zinc/21/27/94/332212794.db2.gz RNGKXCQRHCWTRG-ZBFHGGJFSA-N 1 3 300.450 2.713 20 0 DFADHO C[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCCC1)N1[C@H](C)CC[C@H]1C ZINC000584339891 333804421 /nfs/dbraw/zinc/80/44/21/333804421.db2.gz HUQIPISRLOAWMF-BZUAXINKSA-N 1 3 309.498 2.581 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000584468553 337344695 /nfs/dbraw/zinc/34/46/95/337344695.db2.gz XHGADTKJGJJYSH-RRFJBIMHSA-N 1 3 320.481 2.541 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)[C@H](C)O1 ZINC000296736602 533953470 /nfs/dbraw/zinc/95/34/70/533953470.db2.gz JTRUAEJKHZNXTF-VCBZYWHSSA-N 1 3 318.461 2.815 20 0 DFADHO CC(C)OCCN(C)[C@H]1CCC[N@H+](CCOC(C)C)CC1 ZINC000156945030 519765326 /nfs/dbraw/zinc/76/53/26/519765326.db2.gz UUHYLGNYUVUMNS-KRWDZBQOSA-N 1 3 300.487 2.623 20 0 DFADHO CC(C)OCCN(C)[C@H]1CCC[N@@H+](CCOC(C)C)CC1 ZINC000156945030 519765328 /nfs/dbraw/zinc/76/53/28/519765328.db2.gz UUHYLGNYUVUMNS-KRWDZBQOSA-N 1 3 300.487 2.623 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N(C)C ZINC000154721013 519809124 /nfs/dbraw/zinc/80/91/24/519809124.db2.gz YKYGOXNYVCOJNJ-QZTJIDSGSA-N 1 3 323.525 2.687 20 0 DFADHO CCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cn1 ZINC000367617428 520370903 /nfs/dbraw/zinc/37/09/03/520370903.db2.gz NECVRNCQLGEGHM-BRWVUGGUSA-N 1 3 303.450 2.833 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000366329615 521825354 /nfs/dbraw/zinc/82/53/54/521825354.db2.gz YUSVJDCWICSSHU-QZOMQWOVSA-N 1 3 323.525 2.861 20 0 DFADHO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000163910959 521878782 /nfs/dbraw/zinc/87/87/82/521878782.db2.gz BXTLMLQNYSAWSD-MPGHIAIKSA-N 1 3 308.466 2.685 20 0 DFADHO CC[C@H]([NH3+])C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccc(Cl)c1 ZINC000364851138 522328402 /nfs/dbraw/zinc/32/84/02/522328402.db2.gz OIHUUQFVYHIKCM-BPUTZDHNSA-N 1 3 323.868 2.576 20 0 DFADHO C[NH+]1CCC(N2CC[C@@H](NCc3sccc3Cl)C2)CC1 ZINC000365939543 523771909 /nfs/dbraw/zinc/77/19/09/523771909.db2.gz ARSABQVJTWTRBH-GFCCVEGCSA-N 1 3 313.898 2.660 20 0 DFADHO CC(C)O[C@@H]1C[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C1(C)C ZINC000248947938 534912253 /nfs/dbraw/zinc/91/22/53/534912253.db2.gz ZMORAMHFOUEOQC-BPQIPLTHSA-N 1 3 324.509 2.669 20 0 DFADHO CC(C)(C)OC1CC(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000305866837 526541555 /nfs/dbraw/zinc/54/15/55/526541555.db2.gz ZVYGECHYPIKLLM-ZGUYJTEBSA-N 1 3 324.509 2.690 20 0 DFADHO CC(C)(CO)CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000294802329 527203895 /nfs/dbraw/zinc/20/38/95/527203895.db2.gz MZMUMQVYZBCQBQ-CEXWTWQISA-N 1 3 316.489 2.895 20 0 DFADHO CCN(CCC[NH+](CC)CC)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000322978600 528102587 /nfs/dbraw/zinc/10/25/87/528102587.db2.gz YRCJOQDZRVUOBN-WMZOPIPTSA-N 1 3 319.493 2.903 20 0 DFADHO CCCN1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000314142230 528202539 /nfs/dbraw/zinc/20/25/39/528202539.db2.gz PQCKCSOIPLNTJU-UHFFFAOYSA-N 1 3 302.466 2.514 20 0 DFADHO CC(C)N(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cn1 ZINC000294910208 528840731 /nfs/dbraw/zinc/84/07/31/528840731.db2.gz DXLXVJADAVJZII-ALOPSCKCSA-N 1 3 302.466 2.641 20 0 DFADHO CCCC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236821707 535045309 /nfs/dbraw/zinc/04/53/09/535045309.db2.gz YMTKZYBRBPWSTR-SFHVURJKSA-N 1 3 317.477 2.806 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CNC(C)(C)c2ccccc2)CC1 ZINC000355548546 535158663 /nfs/dbraw/zinc/15/86/63/535158663.db2.gz UGSNSMWGNQLIBC-UHFFFAOYSA-N 1 3 317.477 2.500 20 0 DFADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)NCCC2=CCCCC2)CC1 ZINC000173618519 535162661 /nfs/dbraw/zinc/16/26/61/535162661.db2.gz PBCOKAKZRCNVLM-INIZCTEOSA-N 1 3 321.509 2.844 20 0 DFADHO CC[NH2+]CC1CCN(Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000261753421 535460561 /nfs/dbraw/zinc/46/05/61/535460561.db2.gz CHMNEOUXRHZEHQ-UHFFFAOYSA-N 1 3 304.482 2.748 20 0 DFADHO CCN(CC)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000261898723 535670975 /nfs/dbraw/zinc/67/09/75/535670975.db2.gz OQHVQAKPBXOURO-QZTJIDSGSA-N 1 3 317.477 2.718 20 0 DFADHO CN(C)CCN(CC1CCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC000362597056 535853986 /nfs/dbraw/zinc/85/39/86/535853986.db2.gz TZNPVVOFXMYVND-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245714876 536345612 /nfs/dbraw/zinc/34/56/12/536345612.db2.gz NVBLADOBARAGBM-ACDBMABISA-N 1 3 313.489 2.866 20 0 DFADHO CN1CCC[C@H]1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000245967864 536390206 /nfs/dbraw/zinc/39/02/06/536390206.db2.gz ZGHJGTSVOKWNAU-LPHOPBHVSA-N 1 3 316.445 2.983 20 0 DFADHO COCCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000361762406 536675739 /nfs/dbraw/zinc/67/57/39/536675739.db2.gz CZPOYZLCVJGDPY-YQQAZPJKSA-N 1 3 306.450 2.845 20 0 DFADHO COCCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000361762406 536675744 /nfs/dbraw/zinc/67/57/44/536675744.db2.gz CZPOYZLCVJGDPY-YQQAZPJKSA-N 1 3 306.450 2.845 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000261842232 536841108 /nfs/dbraw/zinc/84/11/08/536841108.db2.gz YUSUUZGJBOSKCQ-BBWFWOEESA-N 1 3 318.461 2.757 20 0 DFADHO COc1ccccc1OC[C@H](C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358262966 537098085 /nfs/dbraw/zinc/09/80/85/537098085.db2.gz FYQASLQRXSLKNB-ZACQAIPSSA-N 1 3 318.461 2.927 20 0 DFADHO COc1ccccc1OC[C@H](C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358262966 537098088 /nfs/dbraw/zinc/09/80/88/537098088.db2.gz FYQASLQRXSLKNB-ZACQAIPSSA-N 1 3 318.461 2.927 20 0 DFADHO COc1cc(C)c([C@H](C)[NH+]2CCC(N(C)CCO)CC2)cc1C ZINC000682069004 545786357 /nfs/dbraw/zinc/78/63/57/545786357.db2.gz BSFCRZYAGWFRPH-INIZCTEOSA-N 1 3 320.477 2.762 20 0 DFADHO Cc1cccc(CC[NH2+]Cc2ccc(OCCN(C)C)cc2)n1 ZINC000684410653 546211892 /nfs/dbraw/zinc/21/18/92/546211892.db2.gz RDRLJUIQTYRUCL-UHFFFAOYSA-N 1 3 313.445 2.663 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(C2CCC2)c1 ZINC000684967243 546311029 /nfs/dbraw/zinc/31/10/29/546311029.db2.gz WYPHSVFXRJGQLD-UHFFFAOYSA-N 1 3 317.477 2.520 20 0 DFADHO CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000685438618 546349827 /nfs/dbraw/zinc/34/98/27/546349827.db2.gz JXPRWUJVYOTMHS-GOSISDBHSA-N 1 3 318.461 2.772 20 0 DFADHO CN(Cc1ccc(Cl)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457350 546353788 /nfs/dbraw/zinc/35/37/88/546353788.db2.gz BECHKGCBSOSBDD-CQSZACIVSA-N 1 3 311.857 2.533 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(F)nc2C)[C@@H](C)C1 ZINC000278312519 214083217 /nfs/dbraw/zinc/08/32/17/214083217.db2.gz DCVSOSKBMYQKGL-WMLDXEAASA-N 1 3 323.456 2.756 20 0 DFADHO CC[NH+]1CCC(CCN[C@H](C)c2cc(C(=O)OC)co2)CC1 ZINC000278664850 214311275 /nfs/dbraw/zinc/31/12/75/214311275.db2.gz IWOXPWPCTCXJEH-CYBMUJFWSA-N 1 3 308.422 2.839 20 0 DFADHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000309857388 231107977 /nfs/dbraw/zinc/10/79/77/231107977.db2.gz LTOCTTDOJOJTSE-MTEHYEEQSA-N 1 3 314.473 2.912 20 0 DFADHO [NH3+]CC[C@H]1CCCCN1CCCc1nc(-c2cccs2)no1 ZINC000315694856 231143548 /nfs/dbraw/zinc/14/35/48/231143548.db2.gz XHMVCXBGAITCEV-CYBMUJFWSA-N 1 3 320.462 2.934 20 0 DFADHO c1ccc(CCN2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000322595209 231211799 /nfs/dbraw/zinc/21/17/99/231211799.db2.gz KUYHADQAUALEBW-UFYCRDLUSA-N 1 3 313.489 2.520 20 0 DFADHO c1ccc(CCN2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000322595209 231211803 /nfs/dbraw/zinc/21/18/03/231211803.db2.gz KUYHADQAUALEBW-UFYCRDLUSA-N 1 3 313.489 2.520 20 0 DFADHO CCN1CCN(CCCC[NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459373169 299089219 /nfs/dbraw/zinc/08/92/19/299089219.db2.gz JUVCFZLSDGAVLS-UHFFFAOYSA-N 1 3 323.912 2.890 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C(C)(C)C)CC2)[C@@H]1SC ZINC000459387066 299093134 /nfs/dbraw/zinc/09/31/34/299093134.db2.gz JBUGVZNRPGKEQZ-ZNMIVQPWSA-N 1 3 300.512 2.748 20 0 DFADHO CCO[C@@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1SC ZINC000459387066 299093138 /nfs/dbraw/zinc/09/31/38/299093138.db2.gz JBUGVZNRPGKEQZ-ZNMIVQPWSA-N 1 3 300.512 2.748 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@@H](C)C[NH+]2CCCCC2)[C@H]1SC ZINC000459387742 299093719 /nfs/dbraw/zinc/09/37/19/299093719.db2.gz JWVUMFRUWRDQNS-QKPAOTATSA-N 1 3 300.512 2.607 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN2CCCCC2)[C@H]1SC ZINC000459387742 299093722 /nfs/dbraw/zinc/09/37/22/299093722.db2.gz JWVUMFRUWRDQNS-QKPAOTATSA-N 1 3 300.512 2.607 20 0 DFADHO CN(CCCc1nc(-c2cccs2)no1)[C@H]1CCC[NH2+]CC1 ZINC000318519236 529897395 /nfs/dbraw/zinc/89/73/95/529897395.db2.gz RDWUZEONVPTOLH-ZDUSSCGKSA-N 1 3 320.462 2.805 20 0 DFADHO COC(=O)c1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)oc1C ZINC000592433596 398425159 /nfs/dbraw/zinc/42/51/59/398425159.db2.gz LIQAUTJDVSTCGJ-GJZGRUSLSA-N 1 3 320.433 2.586 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)[C@@H]1SC ZINC000459427346 299103936 /nfs/dbraw/zinc/10/39/36/299103936.db2.gz NCJRTEJTLVRNEQ-QXSJWSMHSA-N 1 3 300.512 2.605 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)[C@@H]1SC ZINC000459427346 299103938 /nfs/dbraw/zinc/10/39/38/299103938.db2.gz NCJRTEJTLVRNEQ-QXSJWSMHSA-N 1 3 300.512 2.605 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](C(C)C)C2)[C@@H]1SC ZINC000459427346 299103941 /nfs/dbraw/zinc/10/39/41/299103941.db2.gz NCJRTEJTLVRNEQ-QXSJWSMHSA-N 1 3 300.512 2.605 20 0 DFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1[C@H]1CCN(Cc2ccccc2)C1 ZINC000459455706 299110474 /nfs/dbraw/zinc/11/04/74/299110474.db2.gz DEGIYJJULJTGML-YZGWKJHDSA-N 1 3 313.489 2.820 20 0 DFADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccc(F)cc3)C2)C1 ZINC000292999383 530065187 /nfs/dbraw/zinc/06/51/87/530065187.db2.gz OSDGZZLKMBEOFE-SFHVURJKSA-N 1 3 319.424 2.572 20 0 DFADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccc(F)cc3)C2)C1 ZINC000292999383 530065188 /nfs/dbraw/zinc/06/51/88/530065188.db2.gz OSDGZZLKMBEOFE-SFHVURJKSA-N 1 3 319.424 2.572 20 0 DFADHO C[N@@H+]1CCC[C@@]2(CCN(C[C@@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043513 530059598 /nfs/dbraw/zinc/05/95/98/530059598.db2.gz SOTMEHQCTUPZNR-ZWKOTPCHSA-N 1 3 322.880 2.661 20 0 DFADHO C[N@H+]1CCC[C@@]2(CCN(C[C@@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043513 530059599 /nfs/dbraw/zinc/05/95/99/530059599.db2.gz SOTMEHQCTUPZNR-ZWKOTPCHSA-N 1 3 322.880 2.661 20 0 DFADHO C(Cc1nc2c(s1)CCCC2)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089667013 398462997 /nfs/dbraw/zinc/46/29/97/398462997.db2.gz BZUQSCBQZIAZOJ-ZIAGYGMSSA-N 1 3 305.491 2.781 20 0 DFADHO C(Cc1nc2c(s1)CCCC2)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089667013 398462999 /nfs/dbraw/zinc/46/29/99/398462999.db2.gz BZUQSCBQZIAZOJ-ZIAGYGMSSA-N 1 3 305.491 2.781 20 0 DFADHO CCCC[C@H](COC)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090524284 398488408 /nfs/dbraw/zinc/48/84/08/398488408.db2.gz DBYWXPDKMYWNPB-KURKYZTESA-N 1 3 312.498 2.549 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1cnn(C)c1 ZINC000090708597 398492163 /nfs/dbraw/zinc/49/21/63/398492163.db2.gz RTISBOQCHCKHSX-BQFCYCMXSA-N 1 3 312.461 2.981 20 0 DFADHO CC(=O)Nc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000181941532 199366350 /nfs/dbraw/zinc/36/63/50/199366350.db2.gz FEJCJNXPBMIXIG-HIFRSBDPSA-N 1 3 301.434 2.780 20 0 DFADHO CC(=O)Nc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000181941532 199366351 /nfs/dbraw/zinc/36/63/51/199366351.db2.gz FEJCJNXPBMIXIG-HIFRSBDPSA-N 1 3 301.434 2.780 20 0 DFADHO CN(C)Cc1ccc(NC(=O)CC2CC[NH+](C)CC2)c(F)c1 ZINC000413935560 295750511 /nfs/dbraw/zinc/75/05/11/295750511.db2.gz DQLDMDPOOPRUMI-UHFFFAOYSA-N 1 3 307.413 2.558 20 0 DFADHO C[C@@H]1C[C@@H](NCCN2CC=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000279649239 215032369 /nfs/dbraw/zinc/03/23/69/215032369.db2.gz DXPQZCKXAMGOOE-QUCCMNQESA-N 1 3 313.489 2.891 20 0 DFADHO C[C@@H]1C[C@@H](NCCN2CC=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000279649239 215032370 /nfs/dbraw/zinc/03/23/70/215032370.db2.gz DXPQZCKXAMGOOE-QUCCMNQESA-N 1 3 313.489 2.891 20 0 DFADHO c1cc(N2CCC([NH2+]CCCC3CCOCC3)CC2)ccn1 ZINC000459560169 299134357 /nfs/dbraw/zinc/13/43/57/299134357.db2.gz CJFIQRKLFRVTFG-UHFFFAOYSA-N 1 3 303.450 2.847 20 0 DFADHO CCCOc1ccc(OCCN2CCC(CC[NH3+])CC2)cc1 ZINC000315360141 398524920 /nfs/dbraw/zinc/52/49/20/398524920.db2.gz IIAYLKXZNCLJKO-UHFFFAOYSA-N 1 3 306.450 2.915 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000091285136 398524891 /nfs/dbraw/zinc/52/48/91/398524891.db2.gz IESZRXRWWSQGHF-LJQANCHMSA-N 1 3 301.478 2.755 20 0 DFADHO CC(C)[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccnc1 ZINC000091343596 398525782 /nfs/dbraw/zinc/52/57/82/398525782.db2.gz VSSMFIZORVMKQX-LPHOPBHVSA-N 1 3 317.477 2.869 20 0 DFADHO c1ccc2c(c1)OC[C@@H]2C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459570453 299136748 /nfs/dbraw/zinc/13/67/48/299136748.db2.gz PGWBCTPCGFPEGV-HNNXBMFYSA-N 1 3 309.413 2.816 20 0 DFADHO CN(C)Cc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000279681365 215057330 /nfs/dbraw/zinc/05/73/30/215057330.db2.gz HFRPQXVKZONEFJ-UHFFFAOYSA-N 1 3 301.434 2.561 20 0 DFADHO CC[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@H]1C[C@H]1C ZINC000414111710 295768515 /nfs/dbraw/zinc/76/85/15/295768515.db2.gz MSQUNYKGYVWFOT-SQNIBIBYSA-N 1 3 307.526 2.961 20 0 DFADHO CSC1(CNCc2cnc(C3CC3)s2)CC[NH+](C)CC1 ZINC000589325399 398545472 /nfs/dbraw/zinc/54/54/72/398545472.db2.gz JMNMSYOQQPIOKY-UHFFFAOYSA-N 1 3 311.520 2.938 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000272581193 210000187 /nfs/dbraw/zinc/00/01/87/210000187.db2.gz QOXDGPQYVLYHDI-RSPOEFSDSA-N 1 3 315.505 2.827 20 0 DFADHO COC(=O)c1oc(CNCCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000597049040 398555539 /nfs/dbraw/zinc/55/55/39/398555539.db2.gz ZJLWWINNEQKWJC-AWEZNQCLSA-N 1 3 322.449 2.976 20 0 DFADHO COC(=O)c1oc(CNCCCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC000597049040 398555544 /nfs/dbraw/zinc/55/55/44/398555544.db2.gz ZJLWWINNEQKWJC-AWEZNQCLSA-N 1 3 322.449 2.976 20 0 DFADHO CCC[NH+]1CCC(CNCc2cc(C)c(C(=O)OC)o2)CC1 ZINC000597055328 398556749 /nfs/dbraw/zinc/55/67/49/398556749.db2.gz HWAYBDLOQRJEAS-UHFFFAOYSA-N 1 3 308.422 2.586 20 0 DFADHO CCCC[N@H+](C)CC1CCN(CCn2nc(C)cc2C)CC1 ZINC000069220758 398557333 /nfs/dbraw/zinc/55/73/33/398557333.db2.gz MFGPIWWIONRIND-UHFFFAOYSA-N 1 3 306.498 2.944 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(CCn2nc(C)cc2C)CC1 ZINC000069220758 398557339 /nfs/dbraw/zinc/55/73/39/398557339.db2.gz MFGPIWWIONRIND-UHFFFAOYSA-N 1 3 306.498 2.944 20 0 DFADHO COc1ccc(COCCN[C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000133654020 186003665 /nfs/dbraw/zinc/00/36/65/186003665.db2.gz XQJSLOFJDCDBOI-VKJFTORMSA-N 1 3 306.450 2.530 20 0 DFADHO COc1ccc(COCCN[C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000133654020 186003666 /nfs/dbraw/zinc/00/36/66/186003666.db2.gz XQJSLOFJDCDBOI-VKJFTORMSA-N 1 3 306.450 2.530 20 0 DFADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000280021291 215316938 /nfs/dbraw/zinc/31/69/38/215316938.db2.gz UAXABOPJFGBDLJ-GRDNDAEWSA-N 1 3 310.869 2.878 20 0 DFADHO C[C@H]1[NH2+]CCC[C@@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000414620847 295808950 /nfs/dbraw/zinc/80/89/50/295808950.db2.gz LNXFQYBCVARBQW-DOMZBBRYSA-N 1 3 300.406 2.654 20 0 DFADHO CCOc1ccccc1N1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414681815 295815430 /nfs/dbraw/zinc/81/54/30/295815430.db2.gz WRSKUIHVSQLGMC-IRXDYDNUSA-N 1 3 317.477 2.595 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2cccc3c2OCCCO3)C1 ZINC000459729362 299174865 /nfs/dbraw/zinc/17/48/65/299174865.db2.gz JCUAIJFSERGZEB-OAHLLOKOSA-N 1 3 304.434 2.669 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2cccc3c2OCCCO3)C1 ZINC000459729362 299174869 /nfs/dbraw/zinc/17/48/69/299174869.db2.gz JCUAIJFSERGZEB-OAHLLOKOSA-N 1 3 304.434 2.669 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000459735915 299176426 /nfs/dbraw/zinc/17/64/26/299176426.db2.gz PZBGKJXMUSYJDV-HNNXBMFYSA-N 1 3 316.424 2.833 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000459735915 299176428 /nfs/dbraw/zinc/17/64/28/299176428.db2.gz PZBGKJXMUSYJDV-HNNXBMFYSA-N 1 3 316.424 2.833 20 0 DFADHO Fc1cccc(Br)c1CNCC[C@@H]1CC[NH2+]C1 ZINC000414832293 295823619 /nfs/dbraw/zinc/82/36/19/295823619.db2.gz OKWNGMJUGXEZLE-JTQLQIEISA-N 1 3 301.203 2.677 20 0 DFADHO C[C@@H](CCC[NH3+])NCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000415021157 295847858 /nfs/dbraw/zinc/84/78/58/295847858.db2.gz JYYUYPFMXSSCPF-JTQLQIEISA-N 1 3 314.355 2.809 20 0 DFADHO [NH3+][C@H]1CCC[C@H](CNCc2ncc(Br)s2)C1 ZINC000415013230 295847351 /nfs/dbraw/zinc/84/73/51/295847351.db2.gz YEWDTQAKFPFVIK-IUCAKERBSA-N 1 3 304.257 2.513 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000072808758 191231588 /nfs/dbraw/zinc/23/15/88/191231588.db2.gz PPTSKYDESGRKPV-FGTMMUONSA-N 1 3 323.525 2.686 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000072808758 191231589 /nfs/dbraw/zinc/23/15/89/191231589.db2.gz PPTSKYDESGRKPV-FGTMMUONSA-N 1 3 323.525 2.686 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415027223 295848341 /nfs/dbraw/zinc/84/83/41/295848341.db2.gz WBVPOOQMJGXTJZ-JOCQHMNTSA-N 1 3 324.852 2.981 20 0 DFADHO [NH3+]C[C@@H]1CC[C@H](NCc2ccc(Br)cc2F)C1 ZINC000415029072 295848597 /nfs/dbraw/zinc/84/85/97/295848597.db2.gz DFMHYOQSEJOUHN-SKDRFNHKSA-N 1 3 301.203 2.805 20 0 DFADHO Cc1cc(F)ccc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415117867 295860355 /nfs/dbraw/zinc/86/03/55/295860355.db2.gz CMBVRGAAEONMJG-ROUUACIJSA-N 1 3 306.425 2.852 20 0 DFADHO CC1CCC([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CC1 ZINC000174411563 198332031 /nfs/dbraw/zinc/33/20/31/198332031.db2.gz KZPXTYPWAUCNGX-UHFFFAOYSA-N 1 3 317.477 2.646 20 0 DFADHO CCC[NH+]1CCC(CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000236770545 202001659 /nfs/dbraw/zinc/00/16/59/202001659.db2.gz RELXAYCVJYRICI-YJBOKZPZSA-N 1 3 317.477 2.561 20 0 DFADHO CC(C)[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000236795722 202013734 /nfs/dbraw/zinc/01/37/34/202013734.db2.gz CAINUYZNYVHDNX-PBHICJAKSA-N 1 3 303.450 2.983 20 0 DFADHO CC(C)[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000236795722 202013739 /nfs/dbraw/zinc/01/37/39/202013739.db2.gz CAINUYZNYVHDNX-PBHICJAKSA-N 1 3 303.450 2.983 20 0 DFADHO CN1CC[C@@H](NCCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000284318916 283058464 /nfs/dbraw/zinc/05/84/64/283058464.db2.gz POQDRDGQBQGDQR-RTBURBONSA-N 1 3 301.478 2.897 20 0 DFADHO c1cc(C[NH2+]C2CCN(CC3CC3)CC2)cc(N2CCCC2)n1 ZINC000131381303 283082624 /nfs/dbraw/zinc/08/26/24/283082624.db2.gz RITSBBDHELQYCI-UHFFFAOYSA-N 1 3 314.477 2.646 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000415904390 295900264 /nfs/dbraw/zinc/90/02/64/295900264.db2.gz AUWNHDZSOSMSIB-OAHLLOKOSA-N 1 3 318.465 2.792 20 0 DFADHO CCC(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)[NH+](C)C ZINC000415994847 295910037 /nfs/dbraw/zinc/91/00/37/295910037.db2.gz IXTWDHXJKVYVSY-QGZVFWFLSA-N 1 3 318.465 2.778 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000236883125 202051872 /nfs/dbraw/zinc/05/18/72/202051872.db2.gz GSTFHHCCYIJYGR-SFHVURJKSA-N 1 3 317.477 2.806 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236891748 202056544 /nfs/dbraw/zinc/05/65/44/202056544.db2.gz LUSUVNZPGMJHRE-YJBOKZPZSA-N 1 3 317.477 2.662 20 0 DFADHO CCC[NH+]1CCC(CNCc2nn(C)c3ccccc23)CC1 ZINC000591708139 398781401 /nfs/dbraw/zinc/78/14/01/398781401.db2.gz WGAMTSDYGNRISO-UHFFFAOYSA-N 1 3 300.450 2.785 20 0 DFADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)[C@]2(CC)CCC[NH2+]2)C1 ZINC000134601923 283193652 /nfs/dbraw/zinc/19/36/52/283193652.db2.gz VDCYCJBNDJONGZ-YJBOKZPZSA-N 1 3 309.498 2.535 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000236919248 202071778 /nfs/dbraw/zinc/07/17/78/202071778.db2.gz KJWFDVSZOBUYSC-CVEARBPZSA-N 1 3 309.498 2.665 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000236930028 202076549 /nfs/dbraw/zinc/07/65/49/202076549.db2.gz BBKRLNJZVXZULS-GOSISDBHSA-N 1 3 303.450 2.857 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000236929888 202077295 /nfs/dbraw/zinc/07/72/95/202077295.db2.gz IZELLNBJMADMGN-JKSUJKDBSA-N 1 3 303.450 2.984 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236951188 202090671 /nfs/dbraw/zinc/09/06/71/202090671.db2.gz LUSUVNZPGMJHRE-QAPCUYQASA-N 1 3 317.477 2.662 20 0 DFADHO C[NH+](C)CC[C@H](NC(=O)C[C@@H](N)c1ccccc1)C(C)(C)C ZINC000236986364 202108585 /nfs/dbraw/zinc/10/85/85/202108585.db2.gz JHJBNPPVROCHHF-CVEARBPZSA-N 1 3 305.466 2.559 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1)C(C)C ZINC000236994159 202112689 /nfs/dbraw/zinc/11/26/89/202112689.db2.gz GHDHFBZUBDPYHB-CVEARBPZSA-N 1 3 317.477 2.739 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1)C(C)C ZINC000236994159 202112691 /nfs/dbraw/zinc/11/26/91/202112691.db2.gz GHDHFBZUBDPYHB-CVEARBPZSA-N 1 3 317.477 2.739 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000237018384 202124268 /nfs/dbraw/zinc/12/42/68/202124268.db2.gz UCWPVIZREFLWJN-RHSMWYFYSA-N 1 3 303.450 2.637 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000247553569 283208158 /nfs/dbraw/zinc/20/81/58/283208158.db2.gz YZJAWRLVFUQBHU-IAGOWNOFSA-N 1 3 311.514 2.687 20 0 DFADHO CN1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)C2(CCCCC2)C1 ZINC000237192981 202181799 /nfs/dbraw/zinc/18/17/99/202181799.db2.gz XSIBCRCDYSORFI-KRWDZBQOSA-N 1 3 315.461 2.553 20 0 DFADHO C[C@@H](NC1CC[NH+](CCO)CC1)c1ccc(F)c(Cl)c1 ZINC000591886158 398803003 /nfs/dbraw/zinc/80/30/03/398803003.db2.gz PRROKUPJAZLXKA-LLVKDONJSA-N 1 3 300.805 2.586 20 0 DFADHO Cc1nn(C)cc1[C@H](C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000179470289 199041088 /nfs/dbraw/zinc/04/10/88/199041088.db2.gz FTSMNJGHGZOZMM-AWEZNQCLSA-N 1 3 313.449 2.691 20 0 DFADHO C[C@H]1C[C@H](N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000179523655 199050342 /nfs/dbraw/zinc/05/03/42/199050342.db2.gz AMBRRVRRIJRYSO-WPPQDWHVSA-N 1 3 323.431 2.782 20 0 DFADHO C[C@H]1C[C@H](N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000179523655 199050344 /nfs/dbraw/zinc/05/03/44/199050344.db2.gz AMBRRVRRIJRYSO-WPPQDWHVSA-N 1 3 323.431 2.782 20 0 DFADHO CC[C@@H](N)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000130384516 398844450 /nfs/dbraw/zinc/84/44/50/398844450.db2.gz SUPXTRMMNWLVSC-GOSISDBHSA-N 1 3 317.477 2.805 20 0 DFADHO CC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000130384516 398844452 /nfs/dbraw/zinc/84/44/52/398844452.db2.gz SUPXTRMMNWLVSC-GOSISDBHSA-N 1 3 317.477 2.805 20 0 DFADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000237346253 202239624 /nfs/dbraw/zinc/23/96/24/202239624.db2.gz MSSYNKJPAAVQTB-HUUCEWRRSA-N 1 3 324.440 2.813 20 0 DFADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000237346690 202240245 /nfs/dbraw/zinc/24/02/45/202240245.db2.gz MSSYNKJPAAVQTB-GASCZTMLSA-N 1 3 324.440 2.813 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000468141408 299277181 /nfs/dbraw/zinc/27/71/81/299277181.db2.gz DGITYYGNSSTGRH-HZPDHXFCSA-N 1 3 309.498 2.630 20 0 DFADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000594935626 398875744 /nfs/dbraw/zinc/87/57/44/398875744.db2.gz GSAOADOEHDIRFT-KBRIMQKVSA-N 1 3 308.466 2.571 20 0 DFADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000594935626 398875747 /nfs/dbraw/zinc/87/57/47/398875747.db2.gz GSAOADOEHDIRFT-KBRIMQKVSA-N 1 3 308.466 2.571 20 0 DFADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000165898072 283382513 /nfs/dbraw/zinc/38/25/13/283382513.db2.gz KGINKHUPNQRKQA-NJAFHUGGSA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)C1CCC(N2CCN(C[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000469972155 299290708 /nfs/dbraw/zinc/29/07/08/299290708.db2.gz JSLMEIMCMIZYCT-LMDPOFIKSA-N 1 3 307.526 2.818 20 0 DFADHO CCOC(=O)c1[nH]c(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1C ZINC000598978699 398901874 /nfs/dbraw/zinc/90/18/74/398901874.db2.gz RFKLMFSMVCJEET-GOOCMWNKSA-N 1 3 319.449 2.523 20 0 DFADHO CN1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000077450121 398904553 /nfs/dbraw/zinc/90/45/53/398904553.db2.gz BCOQCGZKJRUTRN-UHFFFAOYSA-N 1 3 310.441 2.900 20 0 DFADHO CSC[C@@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000187932103 200178048 /nfs/dbraw/zinc/17/80/48/200178048.db2.gz OQNMWUQNELOTQO-NXHRZFHOSA-N 1 3 322.518 2.695 20 0 DFADHO CSC[C@@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000187932103 200178050 /nfs/dbraw/zinc/17/80/50/200178050.db2.gz OQNMWUQNELOTQO-NXHRZFHOSA-N 1 3 322.518 2.695 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc([S@@](C)=O)cc1 ZINC000599072024 398917065 /nfs/dbraw/zinc/91/70/65/398917065.db2.gz WVFJNWYIZFSDTL-VFCRVFHLSA-N 1 3 308.491 2.807 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(Cl)cc1F ZINC000189376632 200390413 /nfs/dbraw/zinc/39/04/13/200390413.db2.gz MCATYEPKHOVJIB-CQSZACIVSA-N 1 3 302.821 2.926 20 0 DFADHO C[C@@H](NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417317964 296009671 /nfs/dbraw/zinc/00/96/71/296009671.db2.gz XTASAHFVZWUFPP-WCXIOVBPSA-N 1 3 322.518 2.923 20 0 DFADHO CCN(CC)CCC[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000281251066 216186091 /nfs/dbraw/zinc/18/60/91/216186091.db2.gz UZHRRCOCGZKDPR-KRWDZBQOSA-N 1 3 317.477 2.703 20 0 DFADHO CCN(CC)CCC[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000281251066 216186092 /nfs/dbraw/zinc/18/60/92/216186092.db2.gz UZHRRCOCGZKDPR-KRWDZBQOSA-N 1 3 317.477 2.703 20 0 DFADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@H]1CCOC1 ZINC000471872717 299311773 /nfs/dbraw/zinc/31/17/73/299311773.db2.gz RALMXKHWTURQFE-CEXWTWQISA-N 1 3 302.462 2.695 20 0 DFADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@H]1CCOC1 ZINC000471872717 299311776 /nfs/dbraw/zinc/31/17/76/299311776.db2.gz RALMXKHWTURQFE-CEXWTWQISA-N 1 3 302.462 2.695 20 0 DFADHO CC1CC[NH+](Cc2ccc(NC(=O)CNC3CC3)cc2)CC1 ZINC000154622967 398942426 /nfs/dbraw/zinc/94/24/26/398942426.db2.gz UKYQZDACMXLDEH-UHFFFAOYSA-N 1 3 301.434 2.609 20 0 DFADHO COC(=O)C1CCC([NH2+]Cc2cccc(CN(C)C)c2)CC1 ZINC000192438517 200874792 /nfs/dbraw/zinc/87/47/92/200874792.db2.gz LIWNCAYXRHIGOH-UHFFFAOYSA-N 1 3 304.434 2.570 20 0 DFADHO C[N@@H+]1CC[C@@H]2CCN(CCCc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC000193310900 201026828 /nfs/dbraw/zinc/02/68/28/201026828.db2.gz NQGCXDINDADFAD-SJLPKXTDSA-N 1 3 300.446 2.580 20 0 DFADHO C[N@H+]1CC[C@@H]2CCN(CCCc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC000193310900 201026831 /nfs/dbraw/zinc/02/68/31/201026831.db2.gz NQGCXDINDADFAD-SJLPKXTDSA-N 1 3 300.446 2.580 20 0 DFADHO Cc1nccnc1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000292873733 223286235 /nfs/dbraw/zinc/28/62/35/223286235.db2.gz BOXAUEVRTWCVIL-UHFFFAOYSA-N 1 3 324.472 2.624 20 0 DFADHO CCN1CCN(CCC[NH2+]Cc2ccc(C)c(Cl)c2)CC1 ZINC000195437147 201389610 /nfs/dbraw/zinc/38/96/10/201389610.db2.gz DYXYDWFENSTXOV-UHFFFAOYSA-N 1 3 309.885 2.766 20 0 DFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000417812358 296053929 /nfs/dbraw/zinc/05/39/29/296053929.db2.gz LEIDLRJNJJYIBJ-JKSUJKDBSA-N 1 3 305.466 2.544 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271842426 209260054 /nfs/dbraw/zinc/26/00/54/209260054.db2.gz KYTFZELGQJTTQA-LJQANCHMSA-N 1 3 319.468 2.894 20 0 DFADHO CCc1cccc(F)c1C[NH2+]C[C@H](C)CN1CCN(CC)CC1 ZINC000474734782 299338726 /nfs/dbraw/zinc/33/87/26/299338726.db2.gz JHOFNVVKEQQFFJ-INIZCTEOSA-N 1 3 321.484 2.751 20 0 DFADHO N[C@@H](CC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000417844420 296057195 /nfs/dbraw/zinc/05/71/95/296057195.db2.gz WQAJECHTNLXCKS-ROUUACIJSA-N 1 3 311.429 2.673 20 0 DFADHO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000249063240 283765703 /nfs/dbraw/zinc/76/57/03/283765703.db2.gz PZGQHVQFRBDEEC-USXIJHARSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@H](CC[NH+]1CCC(N(C)C[C@H](C)O)CC1)c1ccccc1 ZINC000447736637 297315308 /nfs/dbraw/zinc/31/53/08/297315308.db2.gz OANNERPSCWQLAY-SJORKVTESA-N 1 3 304.478 2.957 20 0 DFADHO Cn1c2ccccc2nc1CCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292939202 223318396 /nfs/dbraw/zinc/31/83/96/223318396.db2.gz JTYPPUITNLOUDZ-IBGZPJMESA-N 1 3 312.461 2.534 20 0 DFADHO Cn1c2ccccc2nc1CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292939202 223318397 /nfs/dbraw/zinc/31/83/97/223318397.db2.gz JTYPPUITNLOUDZ-IBGZPJMESA-N 1 3 312.461 2.534 20 0 DFADHO CC[NH+]1CCC(CCNCc2ccccc2C(=O)N(C)C)CC1 ZINC000417946981 296065512 /nfs/dbraw/zinc/06/55/12/296065512.db2.gz SRVJFRJBZLQCJJ-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO CN1CC[C@@H](C[N@H+](C)C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000275426896 212325393 /nfs/dbraw/zinc/32/53/93/212325393.db2.gz FMHVVIXZTMNTIP-IUODEOHRSA-N 1 3 316.367 2.622 20 0 DFADHO CN1CC[C@@H](C[N@@H+](C)C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000275426896 212325395 /nfs/dbraw/zinc/32/53/95/212325395.db2.gz FMHVVIXZTMNTIP-IUODEOHRSA-N 1 3 316.367 2.622 20 0 DFADHO COc1cc(CNCC2=CC[N@H+](C)CC2)c(SC)cc1OC ZINC000271804267 209230185 /nfs/dbraw/zinc/23/01/85/209230185.db2.gz JOYGFMAJKFUTJE-UHFFFAOYSA-N 1 3 322.474 2.777 20 0 DFADHO COc1cc(CNCC2=CC[N@@H+](C)CC2)c(SC)cc1OC ZINC000271804267 209230187 /nfs/dbraw/zinc/23/01/87/209230187.db2.gz JOYGFMAJKFUTJE-UHFFFAOYSA-N 1 3 322.474 2.777 20 0 DFADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000091333633 193041389 /nfs/dbraw/zinc/04/13/89/193041389.db2.gz ISULIQRDGFSNPQ-MRXNPFEDSA-N 1 3 323.912 2.888 20 0 DFADHO CC[C@H](C)N[C@H](CNC(=O)NCC([NH3+])(CC)CC)c1ccco1 ZINC000418158868 296080846 /nfs/dbraw/zinc/08/08/46/296080846.db2.gz BSNXJIPDKIKNNW-UONOGXRCSA-N 1 3 324.469 2.526 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H](C)CCCC[NH3+])cc1 ZINC000418352570 296087681 /nfs/dbraw/zinc/08/76/81/296087681.db2.gz MTCBLMBCRUICBX-WMLDXEAASA-N 1 3 320.481 2.627 20 0 DFADHO C[C@H]1CN(CC2CC[NH+](CCOCC3CCC3)CC2)C[C@H](C)O1 ZINC000419192538 296127266 /nfs/dbraw/zinc/12/72/66/296127266.db2.gz PBXBZGARHZNTFG-IRXDYDNUSA-N 1 3 324.509 2.624 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419327193 296134821 /nfs/dbraw/zinc/13/48/21/296134821.db2.gz NIPIJINDBXUYAG-SJORKVTESA-N 1 3 323.525 2.734 20 0 DFADHO CN(Cc1cccc2c1OCCCO2)CC1CC[NH+](C)CC1 ZINC000093088633 193201509 /nfs/dbraw/zinc/20/15/09/193201509.db2.gz IZAFXPUEMSQBHI-UHFFFAOYSA-N 1 3 304.434 2.622 20 0 DFADHO C[C@H]1C[N@@H+](CC2(CN3C[C@@H](C)[C@@H](C)[C@@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375254 296137799 /nfs/dbraw/zinc/13/77/99/296137799.db2.gz RGBJFOGAWHUZMQ-RFSXOUPVSA-N 1 3 308.510 2.956 20 0 DFADHO C[C@H]1C[N@H+](CC2(CN3C[C@@H](C)[C@@H](C)[C@@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375254 296137800 /nfs/dbraw/zinc/13/78/00/296137800.db2.gz RGBJFOGAWHUZMQ-RFSXOUPVSA-N 1 3 308.510 2.956 20 0 DFADHO C[C@H]1CN(CC2(C[N@@H+]3C[C@@H](C)[C@@H](C)[C@@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375254 296137802 /nfs/dbraw/zinc/13/78/02/296137802.db2.gz RGBJFOGAWHUZMQ-RFSXOUPVSA-N 1 3 308.510 2.956 20 0 DFADHO C[C@H]1CN(CC2(C[N@H+]3C[C@@H](C)[C@@H](C)[C@@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375254 296137803 /nfs/dbraw/zinc/13/78/03/296137803.db2.gz RGBJFOGAWHUZMQ-RFSXOUPVSA-N 1 3 308.510 2.956 20 0 DFADHO CCC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262165846 203215967 /nfs/dbraw/zinc/21/59/67/203215967.db2.gz WCZYGMDGVACBEH-YOEHRIQHSA-N 1 3 303.450 2.984 20 0 DFADHO CCC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262165846 203215970 /nfs/dbraw/zinc/21/59/70/203215970.db2.gz WCZYGMDGVACBEH-YOEHRIQHSA-N 1 3 303.450 2.984 20 0 DFADHO CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000262314838 203259032 /nfs/dbraw/zinc/25/90/32/203259032.db2.gz PACFBRGSHPANPV-BBRMVZONSA-N 1 3 309.479 2.519 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccsc1 ZINC000262318693 203259716 /nfs/dbraw/zinc/25/97/16/203259716.db2.gz CHPAROBJNAOCEP-OFQRWUPVSA-N 1 3 323.506 2.635 20 0 DFADHO CC[C@H](C)NC(=O)CCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340196438 284158631 /nfs/dbraw/zinc/15/86/31/284158631.db2.gz HOJANYLGAIHULG-SZMVWBNQSA-N 1 3 317.477 2.716 20 0 DFADHO CC[C@H](C)NC(=O)CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340196438 284158633 /nfs/dbraw/zinc/15/86/33/284158633.db2.gz HOJANYLGAIHULG-SZMVWBNQSA-N 1 3 317.477 2.716 20 0 DFADHO CCC[C@](C)(N)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000262690865 203381749 /nfs/dbraw/zinc/38/17/49/203381749.db2.gz AJWCGUWPJVKVPZ-KDOFPFPSSA-N 1 3 305.466 2.750 20 0 DFADHO C[N@@H+]1CC[C@H](NCCC(=O)NC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340293693 284169282 /nfs/dbraw/zinc/16/92/82/284169282.db2.gz UQKFAGJHGUGBHV-DLBZAZTESA-N 1 3 317.477 2.716 20 0 DFADHO C[N@H+]1CC[C@H](NCCC(=O)NC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340293693 284169285 /nfs/dbraw/zinc/16/92/85/284169285.db2.gz UQKFAGJHGUGBHV-DLBZAZTESA-N 1 3 317.477 2.716 20 0 DFADHO CCC[C@@](C)(N)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000262711651 203388870 /nfs/dbraw/zinc/38/88/70/203388870.db2.gz QTKHLNOFWPTIIS-GOSISDBHSA-N 1 3 305.466 2.661 20 0 DFADHO CCC[C@@](C)(N)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000262711651 203388871 /nfs/dbraw/zinc/38/88/71/203388871.db2.gz QTKHLNOFWPTIIS-GOSISDBHSA-N 1 3 305.466 2.661 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CC3=CCCOC3)CC2)C[C@@H](C)O1 ZINC000093844414 193318020 /nfs/dbraw/zinc/31/80/20/193318020.db2.gz FXQQLFLPSUCJBG-IAGOWNOFSA-N 1 3 322.493 2.544 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000274907603 212024917 /nfs/dbraw/zinc/02/49/17/212024917.db2.gz MLRABLWOUPZXMH-HNNXBMFYSA-N 1 3 324.900 2.803 20 0 DFADHO CCOc1cc2nccc(NCC[C@H](C)[NH3+])c2cc1OCC ZINC000420161131 296159765 /nfs/dbraw/zinc/15/97/65/296159765.db2.gz VPJXWHBCRWKCGD-LBPRGKRZSA-N 1 3 303.406 2.603 20 0 DFADHO CN(CCCC[NH+](C)C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000607034466 399136627 /nfs/dbraw/zinc/13/66/27/399136627.db2.gz APJAYLDALGINBV-UHFFFAOYSA-N 1 3 317.477 2.696 20 0 DFADHO CCOc1cc2nccc(NCC(C)(C)[NH3+])c2cc1OCC ZINC000420196737 296161790 /nfs/dbraw/zinc/16/17/90/296161790.db2.gz JCXLBHIQDXBVEY-UHFFFAOYSA-N 1 3 303.406 2.603 20 0 DFADHO Cc1cc(NC[C@H]2CC[NH2+]C2)c2cc(OC(F)F)ccc2n1 ZINC000420229311 296163946 /nfs/dbraw/zinc/16/39/46/296163946.db2.gz NPUZGMJCZFLPHD-NSHDSACASA-N 1 3 307.344 2.588 20 0 DFADHO CCc1c(C)nc2ccccc2c1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000420252456 296165845 /nfs/dbraw/zinc/16/58/45/296165845.db2.gz BCCOGCIJTNRILO-INIZCTEOSA-N 1 3 324.472 2.590 20 0 DFADHO COc1ccccc1CN(CC[C@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000420297427 296170927 /nfs/dbraw/zinc/17/09/27/296170927.db2.gz DITSJFGLNVVWOF-AEFFLSMTSA-N 1 3 318.461 2.676 20 0 DFADHO CCN(CCN1CC[NH2+]CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000420301678 296171661 /nfs/dbraw/zinc/17/16/61/296171661.db2.gz ITFOJQIZBQMMJW-UHFFFAOYSA-N 1 3 316.276 2.721 20 0 DFADHO CC[N@H+](CCc1cccs1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420300454 296171467 /nfs/dbraw/zinc/17/14/67/296171467.db2.gz HLOQFQWZSDPQIN-ROUUACIJSA-N 1 3 318.486 2.543 20 0 DFADHO CC[N@@H+](CCc1cccs1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420300454 296171468 /nfs/dbraw/zinc/17/14/68/296171468.db2.gz HLOQFQWZSDPQIN-ROUUACIJSA-N 1 3 318.486 2.543 20 0 DFADHO CCN(CCc1cccs1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420300454 296171469 /nfs/dbraw/zinc/17/14/69/296171469.db2.gz HLOQFQWZSDPQIN-ROUUACIJSA-N 1 3 318.486 2.543 20 0 DFADHO C[C@H]([NH3+])CN1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000420307909 296172916 /nfs/dbraw/zinc/17/29/16/296172916.db2.gz CEJRPYCOSTTXDX-OPRRPXDXSA-N 1 3 305.510 2.558 20 0 DFADHO Clc1ccccc1[C@H]1CNCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420303201 296172335 /nfs/dbraw/zinc/17/23/35/296172335.db2.gz CGPUQTWEFOCEKB-WMLDXEAASA-N 1 3 307.869 2.676 20 0 DFADHO CN(CC[C@H]1CC[NH2+]C1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000420306208 296172620 /nfs/dbraw/zinc/17/26/20/296172620.db2.gz ACMDCBQHDVHJIA-RDTXWAMCSA-N 1 3 316.424 2.580 20 0 DFADHO Cc1ccc(Cl)cc1N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420311492 296173457 /nfs/dbraw/zinc/17/34/57/296173457.db2.gz WBFBDIGFZDRPFE-OAHLLOKOSA-N 1 3 307.869 2.770 20 0 DFADHO COc1c(C)cnc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420319387 296174598 /nfs/dbraw/zinc/17/45/98/296174598.db2.gz ABFNLFOBIQVIBZ-CVEARBPZSA-N 1 3 303.450 2.529 20 0 DFADHO CC(C)N(CCC[NH3+])C[C@@H](O)COc1cccc2ccccc21 ZINC000420327294 296175657 /nfs/dbraw/zinc/17/56/57/296175657.db2.gz YEEYDLMLZQQRGQ-QGZVFWFLSA-N 1 3 316.445 2.639 20 0 DFADHO Cc1ccccc1CCC[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000420335995 296177154 /nfs/dbraw/zinc/17/71/54/296177154.db2.gz VHZAFEIYOWYVKY-SFHVURJKSA-N 1 3 302.462 2.615 20 0 DFADHO Cc1ccccc1CCC[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000420335995 296177155 /nfs/dbraw/zinc/17/71/55/296177155.db2.gz VHZAFEIYOWYVKY-SFHVURJKSA-N 1 3 302.462 2.615 20 0 DFADHO CC(=O)c1ccccc1OCCN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339453 296177385 /nfs/dbraw/zinc/17/73/85/296177385.db2.gz LSKSMVVRMDVRBK-IAGOWNOFSA-N 1 3 316.445 2.590 20 0 DFADHO c1cnc2sc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420337752 296177042 /nfs/dbraw/zinc/17/70/42/296177042.db2.gz XAGJPXULADCIMI-CHWSQXEVSA-N 1 3 302.447 2.513 20 0 DFADHO CCc1cccc(NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420346581 296178391 /nfs/dbraw/zinc/17/83/91/296178391.db2.gz YTYMQXKAOPOWBS-SJORKVTESA-N 1 3 315.461 2.509 20 0 DFADHO C[C@H](CC(=O)OC(C)(C)C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596096640 399171920 /nfs/dbraw/zinc/17/19/20/399171920.db2.gz WCCFJGSUEMBKOG-ZBFHGGJFSA-N 1 3 310.482 2.818 20 0 DFADHO C[C@H](CC(=O)OC(C)(C)C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096640 399171922 /nfs/dbraw/zinc/17/19/22/399171922.db2.gz WCCFJGSUEMBKOG-ZBFHGGJFSA-N 1 3 310.482 2.818 20 0 DFADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000596096640 399171926 /nfs/dbraw/zinc/17/19/26/399171926.db2.gz WCCFJGSUEMBKOG-ZBFHGGJFSA-N 1 3 310.482 2.818 20 0 DFADHO C[C@@H](O)CN(C[C@H]1CCC[NH2+]C1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000261886936 296180576 /nfs/dbraw/zinc/18/05/76/296180576.db2.gz XBFWXKYDNYCSQH-UXLLHSPISA-N 1 3 324.896 2.953 20 0 DFADHO C[C@@H](O)C[N@H+](C[C@H]1CCCNC1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000261886936 296180578 /nfs/dbraw/zinc/18/05/78/296180578.db2.gz XBFWXKYDNYCSQH-UXLLHSPISA-N 1 3 324.896 2.953 20 0 DFADHO C[C@@H](O)C[N@@H+](C[C@H]1CCCNC1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000261886936 296180579 /nfs/dbraw/zinc/18/05/79/296180579.db2.gz XBFWXKYDNYCSQH-UXLLHSPISA-N 1 3 324.896 2.953 20 0 DFADHO COC(=O)c1cc(C[NH2+][C@H](CN)C2CCCCC2)c(C)s1 ZINC000420366310 296181206 /nfs/dbraw/zinc/18/12/06/296181206.db2.gz MBRZCIBKCNQCQO-CQSZACIVSA-N 1 3 310.463 2.840 20 0 DFADHO Cc1cccc(OCCN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420372867 296181957 /nfs/dbraw/zinc/18/19/57/296181957.db2.gz FUYKIWYFBFXJPU-RTBURBONSA-N 1 3 318.461 2.592 20 0 DFADHO CC(C)c1nc([C@H]2CCCN(CCC3CC[NH2+]CC3)C2)no1 ZINC000420369047 296181466 /nfs/dbraw/zinc/18/14/66/296181466.db2.gz XKINNZLUXXJCIQ-HNNXBMFYSA-N 1 3 306.454 2.762 20 0 DFADHO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420372324 296181905 /nfs/dbraw/zinc/18/19/05/296181905.db2.gz FCQXDBCJFNOWHD-IRXDYDNUSA-N 1 3 317.412 2.664 20 0 DFADHO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420372324 296181906 /nfs/dbraw/zinc/18/19/06/296181906.db2.gz FCQXDBCJFNOWHD-IRXDYDNUSA-N 1 3 317.412 2.664 20 0 DFADHO Cc1cc(C)cc(C[N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC000420381044 296183603 /nfs/dbraw/zinc/18/36/03/296183603.db2.gz XGUGRTLUEJUGCV-PMACEKPBSA-N 1 3 312.457 2.666 20 0 DFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC000420381044 296183605 /nfs/dbraw/zinc/18/36/05/296183605.db2.gz XGUGRTLUEJUGCV-PMACEKPBSA-N 1 3 312.457 2.666 20 0 DFADHO c1ccc2c(c1)cncc2N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420380958 296183648 /nfs/dbraw/zinc/18/36/48/296183648.db2.gz XDTUNYCRZGMLPI-KRWDZBQOSA-N 1 3 324.472 2.747 20 0 DFADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420382947 296183928 /nfs/dbraw/zinc/18/39/28/296183928.db2.gz QADNZUMEUUAYHP-BVBHFADKSA-N 1 3 324.509 2.800 20 0 DFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCCCC(F)(F)F)CC2)C1 ZINC000420384794 296184004 /nfs/dbraw/zinc/18/40/04/296184004.db2.gz GULUYSGUCJOJEH-KGLIPLIRSA-N 1 3 308.388 2.937 20 0 DFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCSc2ccccc2)CC1 ZINC000420389053 296184913 /nfs/dbraw/zinc/18/49/13/296184913.db2.gz XTVAJLLCUDFDNG-MSOLQXFVSA-N 1 3 320.502 2.997 20 0 DFADHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)NCC1CCCCC1 ZINC000420395053 296185815 /nfs/dbraw/zinc/18/58/15/296185815.db2.gz KQGOFKQUOAHLOW-ROUUACIJSA-N 1 3 321.509 2.537 20 0 DFADHO CC(C)(C)[C@@H](NCCN1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000420401812 296186477 /nfs/dbraw/zinc/18/64/77/296186477.db2.gz JNEBGJYZRDRHHI-INIZCTEOSA-N 1 3 311.420 2.547 20 0 DFADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCCCC1 ZINC000618662000 399200943 /nfs/dbraw/zinc/20/09/43/399200943.db2.gz VCTSBDJPNUAJFK-IAGOWNOFSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCCCCC1 ZINC000618662000 399200947 /nfs/dbraw/zinc/20/09/47/399200947.db2.gz VCTSBDJPNUAJFK-IAGOWNOFSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCCCC1 ZINC000618661999 399200562 /nfs/dbraw/zinc/20/05/62/399200562.db2.gz VCTSBDJPNUAJFK-DLBZAZTESA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCCCCC1 ZINC000618661999 399200565 /nfs/dbraw/zinc/20/05/65/399200565.db2.gz VCTSBDJPNUAJFK-DLBZAZTESA-N 1 3 321.509 2.774 20 0 DFADHO CC(CN(C)CC[C@H]1CCCO1)C[N@H+](C)CC[C@H]1CCCO1 ZINC000342607937 284379326 /nfs/dbraw/zinc/37/93/26/284379326.db2.gz RXWBECQQXYLWGV-QZTJIDSGSA-N 1 3 312.498 2.624 20 0 DFADHO CC(CN(C)CC[C@H]1CCCO1)C[N@@H+](C)CC[C@H]1CCCO1 ZINC000342607937 284379331 /nfs/dbraw/zinc/37/93/31/284379331.db2.gz RXWBECQQXYLWGV-QZTJIDSGSA-N 1 3 312.498 2.624 20 0 DFADHO CC[C@H]1CN(C)CCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000614342012 399214522 /nfs/dbraw/zinc/21/45/22/399214522.db2.gz MAJRJCKNAUTOPY-ROUUACIJSA-N 1 3 317.477 2.622 20 0 DFADHO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000098144102 193790247 /nfs/dbraw/zinc/79/02/47/193790247.db2.gz NYMHQTBGORYEAH-SJLPKXTDSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc(CN(C)C)c1 ZINC000618989644 399272443 /nfs/dbraw/zinc/27/24/43/399272443.db2.gz UQIZAUSGCDHEJG-MRXNPFEDSA-N 1 3 317.477 2.598 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000623069621 399322932 /nfs/dbraw/zinc/32/29/32/399322932.db2.gz KSSPSUQMWWPTNI-MRXNPFEDSA-N 1 3 316.449 2.544 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623335821 399364643 /nfs/dbraw/zinc/36/46/43/399364643.db2.gz GLTLEEACZNAIRF-MSOLQXFVSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623335821 399364646 /nfs/dbraw/zinc/36/46/46/399364646.db2.gz GLTLEEACZNAIRF-MSOLQXFVSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)Cc1ccccc1 ZINC000623335821 399364648 /nfs/dbraw/zinc/36/46/48/399364648.db2.gz GLTLEEACZNAIRF-MSOLQXFVSA-N 1 3 303.494 2.622 20 0 DFADHO COc1cccc([C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)N(C)C)c1 ZINC000623335880 399364801 /nfs/dbraw/zinc/36/48/01/399364801.db2.gz JUWMJCOSLPKFGR-SJLPKXTDSA-N 1 3 319.493 2.760 20 0 DFADHO COc1cccc([C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)N(C)C)c1 ZINC000623335880 399364803 /nfs/dbraw/zinc/36/48/03/399364803.db2.gz JUWMJCOSLPKFGR-SJLPKXTDSA-N 1 3 319.493 2.760 20 0 DFADHO COc1cccc([C@@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)N(C)C)c1 ZINC000623335880 399364805 /nfs/dbraw/zinc/36/48/05/399364805.db2.gz JUWMJCOSLPKFGR-SJLPKXTDSA-N 1 3 319.493 2.760 20 0 DFADHO COc1ccc(CCN[C@H]2CC[N@H+](C)C(C)(C)C2)c(OC)c1 ZINC000623384891 399376960 /nfs/dbraw/zinc/37/69/60/399376960.db2.gz PYPNVQKLIQLLBU-HNNXBMFYSA-N 1 3 306.450 2.709 20 0 DFADHO COc1ccc(CCN[C@H]2CC[N@@H+](C)C(C)(C)C2)c(OC)c1 ZINC000623384891 399376961 /nfs/dbraw/zinc/37/69/61/399376961.db2.gz PYPNVQKLIQLLBU-HNNXBMFYSA-N 1 3 306.450 2.709 20 0 DFADHO C[NH+](C)CCOc1ccccc1CNCc1cccc2n[nH]cc21 ZINC000623385418 399377119 /nfs/dbraw/zinc/37/71/19/399377119.db2.gz JYFAFYVUABKTJD-UHFFFAOYSA-N 1 3 324.428 2.793 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2)CC1 ZINC000285239275 218346180 /nfs/dbraw/zinc/34/61/80/218346180.db2.gz SJPOCFMZGVALIP-IBGZPJMESA-N 1 3 316.445 2.942 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623432834 399388806 /nfs/dbraw/zinc/38/88/06/399388806.db2.gz LTFDXXHOHJRENE-HUUCEWRRSA-N 1 3 306.450 2.925 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623432834 399388807 /nfs/dbraw/zinc/38/88/07/399388807.db2.gz LTFDXXHOHJRENE-HUUCEWRRSA-N 1 3 306.450 2.925 20 0 DFADHO COc1ccc(O[C@@H](C)CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623432833 399389048 /nfs/dbraw/zinc/38/90/48/399389048.db2.gz LTFDXXHOHJRENE-GJZGRUSLSA-N 1 3 306.450 2.925 20 0 DFADHO COc1ccc(O[C@@H](C)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623432833 399389052 /nfs/dbraw/zinc/38/90/52/399389052.db2.gz LTFDXXHOHJRENE-GJZGRUSLSA-N 1 3 306.450 2.925 20 0 DFADHO C[N@@H+]1CC[C@@H](N[C@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000623445944 399391891 /nfs/dbraw/zinc/39/18/91/399391891.db2.gz LADOBIVKJOTLOG-KGLIPLIRSA-N 1 3 322.884 2.776 20 0 DFADHO C[N@H+]1CC[C@@H](N[C@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000623445944 399391893 /nfs/dbraw/zinc/39/18/93/399391893.db2.gz LADOBIVKJOTLOG-KGLIPLIRSA-N 1 3 322.884 2.776 20 0 DFADHO CCOc1cc(CNC(C)(C)CC[NH3+])ccc1OC(F)F ZINC000422563173 296313102 /nfs/dbraw/zinc/31/31/02/296313102.db2.gz SBVDCBMUWZUWOI-UHFFFAOYSA-N 1 3 302.365 2.904 20 0 DFADHO CCC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000268860835 207028761 /nfs/dbraw/zinc/02/87/61/207028761.db2.gz GCAWFHNFLGOYGH-CRAIPNDOSA-N 1 3 308.466 2.829 20 0 DFADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000268862553 207030432 /nfs/dbraw/zinc/03/04/32/207030432.db2.gz SDHPDCCBAZYRJZ-OAHLLOKOSA-N 1 3 318.461 2.868 20 0 DFADHO CN1CC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)CC1(C)C ZINC000623482533 399398844 /nfs/dbraw/zinc/39/88/44/399398844.db2.gz YMVFFLPEAQUXQT-KRWDZBQOSA-N 1 3 316.493 2.760 20 0 DFADHO CCCOc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000268879645 207048170 /nfs/dbraw/zinc/04/81/70/207048170.db2.gz XJSLDZPYRRCMAX-RDJZCZTQSA-N 1 3 306.450 2.583 20 0 DFADHO C[C@@H]1C[C@@H](C)N(CCc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000422640726 296317548 /nfs/dbraw/zinc/31/75/48/296317548.db2.gz VYFOFEABDOABET-IIAWOOMASA-N 1 3 314.433 2.584 20 0 DFADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000268924440 207091205 /nfs/dbraw/zinc/09/12/05/207091205.db2.gz PKOLQHYFQUDPNI-ZFWWWQNUSA-N 1 3 312.404 2.852 20 0 DFADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000268924440 207091208 /nfs/dbraw/zinc/09/12/08/207091208.db2.gz PKOLQHYFQUDPNI-ZFWWWQNUSA-N 1 3 312.404 2.852 20 0 DFADHO CN1CC[C@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623511073 399405031 /nfs/dbraw/zinc/40/50/31/399405031.db2.gz YZUYLXQFQJOIPC-OALUTQOASA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H](NCCc1cc(Br)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000422709950 296319666 /nfs/dbraw/zinc/31/96/66/296319666.db2.gz ZZSHXKIGBUAWDW-CMPLNLGQSA-N 1 3 315.230 2.718 20 0 DFADHO CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000422712121 296320274 /nfs/dbraw/zinc/32/02/74/296320274.db2.gz GKJQXBDLMCXRJC-WBVHZDCISA-N 1 3 309.498 2.521 20 0 DFADHO C[C@@H](NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422724107 296321714 /nfs/dbraw/zinc/32/17/14/296321714.db2.gz ULLVTVUZDQNKPM-KDOFPFPSSA-N 1 3 305.441 2.520 20 0 DFADHO CC(C)CC(=O)Nc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422723736 296321732 /nfs/dbraw/zinc/32/17/32/296321732.db2.gz SGKMYGHWPYFQHL-RDJZCZTQSA-N 1 3 303.450 2.888 20 0 DFADHO Fc1ccc(CN2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000422723436 296321842 /nfs/dbraw/zinc/32/18/42/296321842.db2.gz RJEYHSANYRBUJM-DFNIBXOVSA-N 1 3 317.452 2.663 20 0 DFADHO Cc1ccc(C[C@@H](CO)N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000623545045 399412961 /nfs/dbraw/zinc/41/29/61/399412961.db2.gz YMHCTCPEYZTJDK-ROUUACIJSA-N 1 3 304.478 2.669 20 0 DFADHO Cc1ccc(C[C@@H](CO)N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000623545045 399412965 /nfs/dbraw/zinc/41/29/65/399412965.db2.gz YMHCTCPEYZTJDK-ROUUACIJSA-N 1 3 304.478 2.669 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1ccc(Cl)cc1Cl ZINC000422726304 296322121 /nfs/dbraw/zinc/32/21/21/296322121.db2.gz DKPSQQGEPVWMDH-ZBINZKHDSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422726304 296322122 /nfs/dbraw/zinc/32/21/22/296322122.db2.gz DKPSQQGEPVWMDH-ZBINZKHDSA-N 1 3 317.260 2.878 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]CC[C@H]2CCCOC2)cc1 ZINC000623591874 399423497 /nfs/dbraw/zinc/42/34/97/399423497.db2.gz KVCXQHPGYJWOBR-QGZVFWFLSA-N 1 3 306.450 2.533 20 0 DFADHO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000602288436 399419506 /nfs/dbraw/zinc/41/95/06/399419506.db2.gz YIZGSVBZHUSEAE-YJBOKZPZSA-N 1 3 308.466 2.514 20 0 DFADHO CN1CC[C@@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575126 399419604 /nfs/dbraw/zinc/41/96/04/399419604.db2.gz LWIMYICMMWPZKO-QZTJIDSGSA-N 1 3 301.478 2.723 20 0 DFADHO C[N@@H+]1CC[C@@H](NC[C@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575126 399419605 /nfs/dbraw/zinc/41/96/05/399419605.db2.gz LWIMYICMMWPZKO-QZTJIDSGSA-N 1 3 301.478 2.723 20 0 DFADHO C[N@H+]1CC[C@@H](NC[C@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575126 399419606 /nfs/dbraw/zinc/41/96/06/399419606.db2.gz LWIMYICMMWPZKO-QZTJIDSGSA-N 1 3 301.478 2.723 20 0 DFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCCN(C)C2)o1 ZINC000623656491 399436317 /nfs/dbraw/zinc/43/63/17/399436317.db2.gz VJHOMVYLUFPAPX-AWEZNQCLSA-N 1 3 302.422 2.800 20 0 DFADHO CN1CCCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000623657679 399437815 /nfs/dbraw/zinc/43/78/15/399437815.db2.gz WMCOLNUQDKFWIH-ZDUSSCGKSA-N 1 3 304.463 2.960 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC000269074100 207221460 /nfs/dbraw/zinc/22/14/60/207221460.db2.gz XZDRNTYQWUPBOX-GFCCVEGCSA-N 1 3 316.367 2.813 20 0 DFADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000063195098 184277866 /nfs/dbraw/zinc/27/78/66/184277866.db2.gz UKTMCXNVQXKGPP-IUODEOHRSA-N 1 3 309.841 2.870 20 0 DFADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000063195098 184277868 /nfs/dbraw/zinc/27/78/68/184277868.db2.gz UKTMCXNVQXKGPP-IUODEOHRSA-N 1 3 309.841 2.870 20 0 DFADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1C ZINC000422736186 296323740 /nfs/dbraw/zinc/32/37/40/296323740.db2.gz FTAWEBAGHNEOFJ-FSPWUOQZSA-N 1 3 315.461 2.935 20 0 DFADHO C[C@H](NC[C@@H](c1cccs1)N1CCC(C)CC1)C1C[NH2+]C1 ZINC000422739880 296324332 /nfs/dbraw/zinc/32/43/32/296324332.db2.gz AOKYCPSOVJZCSB-HOCLYGCPSA-N 1 3 307.507 2.719 20 0 DFADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2cccc(Br)c2)CC1 ZINC000422743751 296324942 /nfs/dbraw/zinc/32/49/42/296324942.db2.gz JGSDDLDABFTFNL-KBPBESRZSA-N 1 3 309.251 2.950 20 0 DFADHO CC1CCN([C@@H](CNC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000422742658 296325054 /nfs/dbraw/zinc/32/50/54/296325054.db2.gz SFIGHYXHPFXAQG-IBGZPJMESA-N 1 3 301.478 2.801 20 0 DFADHO Cc1ccccc1OCCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422744415 296324861 /nfs/dbraw/zinc/32/48/61/296324861.db2.gz SVDFJBKNLBWSRN-KZNAEPCWSA-N 1 3 318.461 2.511 20 0 DFADHO COc1ccccc1[C@@H](CN[C@H]1CCC[NH2+]CC1)N1CCCC1 ZINC000422748638 296325503 /nfs/dbraw/zinc/32/55/03/296325503.db2.gz VMAIWVSRSYHCTR-FUHWJXTLSA-N 1 3 317.477 2.564 20 0 DFADHO COc1ccccc1[C@H](CN[C@H](C)C[C@@H](C)[NH3+])N1CCCC1 ZINC000422749004 296326240 /nfs/dbraw/zinc/32/62/40/296326240.db2.gz WZUOCZKPQBWKPK-INMHGKMJSA-N 1 3 305.466 2.548 20 0 DFADHO COc1cccc(N2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422753953 296327093 /nfs/dbraw/zinc/32/70/93/296327093.db2.gz FMPWUTJYSGJJOF-TVXGVJEUSA-N 1 3 315.461 2.537 20 0 DFADHO C[C@H](NCC1(c2cccc(Cl)c2)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000422755444 296327326 /nfs/dbraw/zinc/32/73/26/296327326.db2.gz HTFSDPBXOCELMJ-GJZGRUSLSA-N 1 3 322.880 2.976 20 0 DFADHO Cc1nc2ccccc2n1CCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422756032 296327404 /nfs/dbraw/zinc/32/74/04/296327404.db2.gz KZBGADYVDGGGMV-GDBMZVCRSA-N 1 3 300.450 2.855 20 0 DFADHO CCOc1ccc(CCN[C@H](C)[C@@H]2CC[NH2+]C2)cc1OCC ZINC000422757081 296327829 /nfs/dbraw/zinc/32/78/29/296327829.db2.gz JKQNNSBUTJIJMY-GDBMZVCRSA-N 1 3 306.450 2.614 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCCCO1 ZINC000623866364 399483019 /nfs/dbraw/zinc/48/30/19/399483019.db2.gz SKQORIDIGRNRCS-YJBOKZPZSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]C1CCNCC1 ZINC000422770084 296330258 /nfs/dbraw/zinc/33/02/58/296330258.db2.gz WJRIFOXUTKZPDH-NSHDSACASA-N 1 3 302.340 2.814 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422771172 296330354 /nfs/dbraw/zinc/33/03/54/296330354.db2.gz XVKSFUCUXDTFRT-CRAIPNDOSA-N 1 3 320.452 2.981 20 0 DFADHO Cc1ccc(CSCCN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422774099 296331040 /nfs/dbraw/zinc/33/10/40/296331040.db2.gz VMOLRXDPJNQFJM-USXIJHARSA-N 1 3 308.491 2.570 20 0 DFADHO C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1cccc(OCCN(C)C)c1 ZINC000346877018 284969160 /nfs/dbraw/zinc/96/91/60/284969160.db2.gz RONJPKVFPYJJKM-HZPDHXFCSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(OCCN(C)C)cc1 ZINC000346893659 284973737 /nfs/dbraw/zinc/97/37/37/284973737.db2.gz YBIDQMHFULIQHM-JKSUJKDBSA-N 1 3 306.450 2.704 20 0 DFADHO C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)COCC1CCOCC1 ZINC000422791254 296333230 /nfs/dbraw/zinc/33/32/30/296333230.db2.gz VVFBIWYOBIIEQB-IPMKNSEASA-N 1 3 324.509 2.720 20 0 DFADHO C[C@@H](NCCc1csc(-c2ccccc2)n1)[C@@H]1CC[NH2+]C1 ZINC000422785691 296332738 /nfs/dbraw/zinc/33/27/38/296332738.db2.gz NVKCNPOMGOFELM-UKRRQHHQSA-N 1 3 301.459 2.940 20 0 DFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000422788356 296332934 /nfs/dbraw/zinc/33/29/34/296332934.db2.gz NDAIOHMWACXYBN-LAVFITLUSA-N 1 3 320.502 2.914 20 0 DFADHO Cc1cc(C)cc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422788663 296333092 /nfs/dbraw/zinc/33/30/92/296333092.db2.gz SODMTKKYBNUUAY-GBESFXJTSA-N 1 3 302.462 2.593 20 0 DFADHO CCCCOCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422789821 296333294 /nfs/dbraw/zinc/33/32/94/296333294.db2.gz WZLAWSDYQBUNEQ-AEFFLSMTSA-N 1 3 304.434 2.649 20 0 DFADHO CCOC(=O)[C@](C)(CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000602629746 399496702 /nfs/dbraw/zinc/49/67/02/399496702.db2.gz JFZOUASKDOWEMU-KVSKMBFKSA-N 1 3 318.461 2.580 20 0 DFADHO CCOC(=O)[C@](C)(CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000602629746 399496706 /nfs/dbraw/zinc/49/67/06/399496706.db2.gz JFZOUASKDOWEMU-KVSKMBFKSA-N 1 3 318.461 2.580 20 0 DFADHO Cc1ccccc1O[C@H](C)CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422796794 296334454 /nfs/dbraw/zinc/33/44/54/296334454.db2.gz ZBDWYFGZUMUACT-ZJPYXAASSA-N 1 3 318.461 2.509 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])cc1 ZINC000422797532 296334678 /nfs/dbraw/zinc/33/46/78/296334678.db2.gz NDQHYZKXPWTIMG-IAOVAPTHSA-N 1 3 305.466 2.545 20 0 DFADHO C[C@@H](C[NH2+]C1CCNCC1)Oc1cccc(Br)c1 ZINC000422794837 296334191 /nfs/dbraw/zinc/33/41/91/296334191.db2.gz GZBOCAVBHYSTDQ-NSHDSACASA-N 1 3 313.239 2.558 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000422799061 296335130 /nfs/dbraw/zinc/33/51/30/296335130.db2.gz UWQSNWRPIZLXOX-QJPTWQEYSA-N 1 3 315.255 2.932 20 0 DFADHO c1ccc([C@H]2C[C@@H]([NH2+]CCN3CCCCCC3)CCN2)cc1 ZINC000422805529 296336453 /nfs/dbraw/zinc/33/64/53/296336453.db2.gz JHWXBTQOQUXGDD-RBUKOAKNSA-N 1 3 301.478 2.945 20 0 DFADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)N1CCc2ccccc2C1 ZINC000422812578 296337745 /nfs/dbraw/zinc/33/77/45/296337745.db2.gz WOVUDKOBNYWXLM-MISYRCLQSA-N 1 3 315.505 2.930 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(COCC(F)(F)F)cc1 ZINC000422811595 296337552 /nfs/dbraw/zinc/33/75/52/296337552.db2.gz PKGRTHOIAGVSSQ-VXGBXAGGSA-N 1 3 304.356 2.981 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000422818839 296339038 /nfs/dbraw/zinc/33/90/38/296339038.db2.gz LQROWGMJTVSDAJ-NDKCEZKHSA-N 1 3 308.388 2.697 20 0 DFADHO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422826007 296340073 /nfs/dbraw/zinc/34/00/73/296340073.db2.gz QLOCWLDVSUBHBG-MAUKXSAKSA-N 1 3 313.445 2.757 20 0 DFADHO Cc1ccc([C@H](CN[C@H](C)[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422826726 296340456 /nfs/dbraw/zinc/34/04/56/296340456.db2.gz LYLIHVUDRVMDNV-QRQLOZEOSA-N 1 3 301.478 2.862 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422832343 296341309 /nfs/dbraw/zinc/34/13/09/296341309.db2.gz FUFQJEXJZGBPKR-UKPHBRMFSA-N 1 3 307.869 2.896 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422832341 296341581 /nfs/dbraw/zinc/34/15/81/296341581.db2.gz FUFQJEXJZGBPKR-FRFSOERESA-N 1 3 307.869 2.896 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000422836738 296342134 /nfs/dbraw/zinc/34/21/34/296342134.db2.gz RWUXJWSUVWFGCF-OALUTQOASA-N 1 3 303.494 2.671 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422843451 296343374 /nfs/dbraw/zinc/34/33/74/296343374.db2.gz IILUZTJZTHBGEZ-QAPCUYQASA-N 1 3 324.428 2.551 20 0 DFADHO O=C(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCCCCC1 ZINC000422844081 296343490 /nfs/dbraw/zinc/34/34/90/296343490.db2.gz KTSCAZVWUWIDCB-FGTMMUONSA-N 1 3 321.509 2.680 20 0 DFADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422841296 296342858 /nfs/dbraw/zinc/34/28/58/296342858.db2.gz VOKLGYNWZWRPFU-HLLBOEOZSA-N 1 3 307.507 2.548 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H]2CN)cc1OC ZINC000422858216 296345844 /nfs/dbraw/zinc/34/58/44/296345844.db2.gz ICEDWYFXVLHCAT-HIFRSBDPSA-N 1 3 306.450 2.698 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@H]2CN)cc1OC ZINC000422858218 296345913 /nfs/dbraw/zinc/34/59/13/296345913.db2.gz ICEDWYFXVLHCAT-ZFWWWQNUSA-N 1 3 306.450 2.698 20 0 DFADHO Cc1cc(C)n(-c2ccc(CCN[C@@H](C)[C@H]3CC[NH2+]C3)cc2)n1 ZINC000422867673 296347462 /nfs/dbraw/zinc/34/74/62/296347462.db2.gz STXYMACRUAWEBG-WMZOPIPTSA-N 1 3 312.461 2.619 20 0 DFADHO C[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)N)N1CCC[C@@H](C)C1 ZINC000422870836 296347758 /nfs/dbraw/zinc/34/77/58/296347758.db2.gz ZHUYIRWASDKCLQ-VXIBKDFQSA-N 1 3 303.494 2.655 20 0 DFADHO CC[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)[C@@H]1CCCCN1 ZINC000422879078 296349348 /nfs/dbraw/zinc/34/93/48/296349348.db2.gz UKSLUBAWWFUYLX-BPUTZDHNSA-N 1 3 322.884 2.824 20 0 DFADHO CC1(C)CC([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000347388831 285026731 /nfs/dbraw/zinc/02/67/31/285026731.db2.gz ZQGOLSNBHJYWRS-UHFFFAOYSA-N 1 3 302.462 2.922 20 0 DFADHO COc1ccc(CCN[C@H](C)C[C@H](C)[NH3+])cc1OC(F)F ZINC000422879836 296349416 /nfs/dbraw/zinc/34/94/16/296349416.db2.gz MVDVJELSODFMHQ-WDEREUQCSA-N 1 3 302.365 2.555 20 0 DFADHO COc1ccc(CC[NH2+][C@H](C)C[C@H](C)N)cc1OC(F)F ZINC000422879836 296349417 /nfs/dbraw/zinc/34/94/17/296349417.db2.gz MVDVJELSODFMHQ-WDEREUQCSA-N 1 3 302.365 2.555 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)N2CCCC2)o1 ZINC000422881157 296349889 /nfs/dbraw/zinc/34/98/89/296349889.db2.gz PQAPLZVNNJJCHR-UAGQMJEPSA-N 1 3 305.466 2.703 20 0 DFADHO FC(F)(F)Oc1ccc(CCN[C@H]2CCC[NH2+]CC2)cc1 ZINC000422887915 296350939 /nfs/dbraw/zinc/35/09/39/296350939.db2.gz BROMFDAWZJSRHL-ZDUSSCGKSA-N 1 3 302.340 2.859 20 0 DFADHO FC(F)(F)Oc1ccc(CC[NH2+][C@H]2CCCNCC2)cc1 ZINC000422887915 296350941 /nfs/dbraw/zinc/35/09/41/296350941.db2.gz BROMFDAWZJSRHL-ZDUSSCGKSA-N 1 3 302.340 2.859 20 0 DFADHO Cc1ccc(N2CC[C@H](N[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)C2)cc1 ZINC000119694954 195019545 /nfs/dbraw/zinc/01/95/45/195019545.db2.gz SCIKUJGFNQJJLR-LSTDLKDCSA-N 1 3 301.478 2.892 20 0 DFADHO Cc1ccc(N2CC[C@H](N[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)C2)cc1 ZINC000119694954 195019547 /nfs/dbraw/zinc/01/95/47/195019547.db2.gz SCIKUJGFNQJJLR-LSTDLKDCSA-N 1 3 301.478 2.892 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422891132 296351590 /nfs/dbraw/zinc/35/15/90/296351590.db2.gz KCPWDEWQHSZKLW-OCCSQVGLSA-N 1 3 302.340 2.845 20 0 DFADHO COCCOc1ccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000119666164 195013512 /nfs/dbraw/zinc/01/35/12/195013512.db2.gz PKCWJJSKAXDHBZ-OAHLLOKOSA-N 1 3 318.461 2.989 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(N2CCCCCC2)nc1 ZINC000422888209 296350863 /nfs/dbraw/zinc/35/08/63/296350863.db2.gz CCWLAKLLQNCIDW-IRXDYDNUSA-N 1 3 302.466 2.679 20 0 DFADHO COc1cccc(N2CC[C@@H](CN[C@H](C)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422899832 296352720 /nfs/dbraw/zinc/35/27/20/296352720.db2.gz IGZQBYHTSXWDIU-JTDSTZFVSA-N 1 3 317.477 2.642 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422901253 296353074 /nfs/dbraw/zinc/35/30/74/296353074.db2.gz RSSPATGPTFGVPQ-RLFYNMQTSA-N 1 3 305.441 2.759 20 0 DFADHO COc1ccc(C)cc1C1(CN[C@@H]2CCC[C@H]2[NH3+])CCOCC1 ZINC000422902150 296353466 /nfs/dbraw/zinc/35/34/66/296353466.db2.gz TVBWSHZWDXKGNA-IAGOWNOFSA-N 1 3 318.461 2.521 20 0 DFADHO C[C@H](NCCc1ccc(OC(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000422894839 296351885 /nfs/dbraw/zinc/35/18/85/296351885.db2.gz UPUDHKCVTAERMS-AAEUAGOBSA-N 1 3 302.340 2.715 20 0 DFADHO C[C@@H](NCCc1ccc(OC(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000422894840 296351942 /nfs/dbraw/zinc/35/19/42/296351942.db2.gz UPUDHKCVTAERMS-DGCLKSJQSA-N 1 3 302.340 2.715 20 0 DFADHO CCCCOc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)cc1 ZINC000422904038 296353844 /nfs/dbraw/zinc/35/38/44/296353844.db2.gz WTBUYUGYAMUVQC-AYOQOUSVSA-N 1 3 320.477 2.750 20 0 DFADHO CCCCOc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422904038 296353845 /nfs/dbraw/zinc/35/38/45/296353845.db2.gz WTBUYUGYAMUVQC-AYOQOUSVSA-N 1 3 320.477 2.750 20 0 DFADHO C[C@H](N[C@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000422906484 296354294 /nfs/dbraw/zinc/35/42/94/296354294.db2.gz JWCYKOPVLVEYAK-ZNMIVQPWSA-N 1 3 323.431 2.517 20 0 DFADHO CSC1(CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CCOCC1 ZINC000422917261 296355477 /nfs/dbraw/zinc/35/54/77/296355477.db2.gz FSXJRUGSYOBPLF-GJZGRUSLSA-N 1 3 300.512 2.799 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)c1ccsc1 ZINC000119968062 195071378 /nfs/dbraw/zinc/07/13/78/195071378.db2.gz WYCPLXXFSJIOOR-DOTOQJQBSA-N 1 3 323.506 2.637 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccsc1 ZINC000119968386 195072141 /nfs/dbraw/zinc/07/21/41/195072141.db2.gz WYCPLXXFSJIOOR-RDJZCZTQSA-N 1 3 323.506 2.637 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000422911467 296355002 /nfs/dbraw/zinc/35/50/02/296355002.db2.gz SXIVMPCFLDMANL-IPYPFGDCSA-N 1 3 323.868 2.515 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1nc2ccccc2n1C(F)F ZINC000422911206 296355091 /nfs/dbraw/zinc/35/50/91/296355091.db2.gz KHEVIUUXWWSHOP-VXGBXAGGSA-N 1 3 308.376 2.691 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422911206 296355093 /nfs/dbraw/zinc/35/50/93/296355093.db2.gz KHEVIUUXWWSHOP-VXGBXAGGSA-N 1 3 308.376 2.691 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000422917313 296355151 /nfs/dbraw/zinc/35/51/51/296355151.db2.gz CZXRVTPFOSZRNF-JOYOIKCWSA-N 1 3 319.232 2.770 20 0 DFADHO CC[C@H](Cc1ccccc1Br)[NH2+][C@@H](C)C1CNC1 ZINC000422928202 296356544 /nfs/dbraw/zinc/35/65/44/296356544.db2.gz JLYXNRRATFLWPK-SMDDNHRTSA-N 1 3 311.267 2.968 20 0 DFADHO CC[C@H](Cc1ccccc1Br)N[C@@H](C)C1C[NH2+]C1 ZINC000422928202 296356545 /nfs/dbraw/zinc/35/65/45/296356545.db2.gz JLYXNRRATFLWPK-SMDDNHRTSA-N 1 3 311.267 2.968 20 0 DFADHO Cc1nccn1CC[N@H+](CCN1CCCCCC1)C1CCC1 ZINC000347485938 285056344 /nfs/dbraw/zinc/05/63/44/285056344.db2.gz XSZPHNDXNJFVIT-UHFFFAOYSA-N 1 3 304.482 2.922 20 0 DFADHO Cc1nccn1CC[N@@H+](CCN1CCCCCC1)C1CCC1 ZINC000347485938 285056347 /nfs/dbraw/zinc/05/63/47/285056347.db2.gz XSZPHNDXNJFVIT-UHFFFAOYSA-N 1 3 304.482 2.922 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422928058 296356382 /nfs/dbraw/zinc/35/63/82/296356382.db2.gz IQOYTTXPIIPGKU-ZWKOTPCHSA-N 1 3 315.461 2.530 20 0 DFADHO COc1cc(OC)cc(OCCCN[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422929025 296356413 /nfs/dbraw/zinc/35/64/13/296356413.db2.gz NYFNCJCQPJFKTG-QZTJIDSGSA-N 1 3 322.449 2.722 20 0 DFADHO CC(C)c1noc(CCC[NH2+][C@@H]2C[C@H](N)c3ccccc32)n1 ZINC000422938097 296358395 /nfs/dbraw/zinc/35/83/95/296358395.db2.gz PIOYIXUIUMBWIR-LSDHHAIUSA-N 1 3 300.406 2.860 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000422942523 296358527 /nfs/dbraw/zinc/35/85/27/296358527.db2.gz KPHIHPOFWAVPPC-DOMZBBRYSA-N 1 3 309.841 2.646 20 0 DFADHO CC(C)c1noc(CCCN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])n1 ZINC000422943622 296358578 /nfs/dbraw/zinc/35/85/78/296358578.db2.gz YNSNNRPIOOOPIH-HOCLYGCPSA-N 1 3 316.449 2.674 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1cccc(F)c1 ZINC000422935796 296357503 /nfs/dbraw/zinc/35/75/03/296357503.db2.gz DRZHVOWGTLVSMU-GFCCVEGCSA-N 1 3 303.381 2.717 20 0 DFADHO CCCCNC(=O)c1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422944719 296359072 /nfs/dbraw/zinc/35/90/72/296359072.db2.gz SLEXZVRKZMWEHV-ZWKOTPCHSA-N 1 3 317.477 2.824 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422955386 296360619 /nfs/dbraw/zinc/36/06/19/296360619.db2.gz JDTYXXWFMYBYRD-GHMZBOCLSA-N 1 3 308.813 2.648 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCCO1 ZINC000624012213 399522902 /nfs/dbraw/zinc/52/29/02/399522902.db2.gz UMFYCNXCQVBJAF-APWZRJJASA-N 1 3 317.477 2.841 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422956960 296360761 /nfs/dbraw/zinc/36/07/61/296360761.db2.gz RSNZYPAAUPDNJY-GJZGRUSLSA-N 1 3 316.474 2.855 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOc1ccccc1C(F)(F)F ZINC000422958079 296361010 /nfs/dbraw/zinc/36/10/10/296361010.db2.gz OLTBFTNVIIHZJQ-YPMHNXCESA-N 1 3 302.340 2.801 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1cccc(Cl)c1Cl ZINC000422950115 296360121 /nfs/dbraw/zinc/36/01/21/296360121.db2.gz VHSOEYXOAFAEKK-ZKYQVNSYSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422950115 296360122 /nfs/dbraw/zinc/36/01/22/296360122.db2.gz VHSOEYXOAFAEKK-ZKYQVNSYSA-N 1 3 317.260 2.878 20 0 DFADHO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000422953335 296360292 /nfs/dbraw/zinc/36/02/92/296360292.db2.gz FHJLFCLLXNCMRV-BZZMCLGOSA-N 1 3 304.482 2.728 20 0 DFADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000422963042 296361772 /nfs/dbraw/zinc/36/17/72/296361772.db2.gz FFEBTZQNTNCDPR-GPMSIDNRSA-N 1 3 316.493 2.585 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H](c1ccco1)N1CCCCC1 ZINC000422963136 296361787 /nfs/dbraw/zinc/36/17/87/296361787.db2.gz HQAVAGGODPSRMF-GVDBMIGSSA-N 1 3 305.466 2.914 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2cccc(C)n2)CC1 ZINC000347567468 285080793 /nfs/dbraw/zinc/08/07/93/285080793.db2.gz NCTQLMJAMBVNMR-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cccc(C)n2)CC1 ZINC000347567468 285080795 /nfs/dbraw/zinc/08/07/95/285080795.db2.gz NCTQLMJAMBVNMR-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO CC(C)Oc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)cn1 ZINC000422972778 296363311 /nfs/dbraw/zinc/36/33/11/296363311.db2.gz MTJUFYQLSOJJGX-CRAIPNDOSA-N 1 3 313.445 2.917 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCOc1cccc(C(C)(C)C)c1 ZINC000422983282 296363963 /nfs/dbraw/zinc/36/39/63/296363963.db2.gz SPAOZKALLBUYTK-JCGIZDLHSA-N 1 3 320.477 2.705 20 0 DFADHO Cc1cc(C[C@H](C)N[C@@H](C)[C@@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000422995578 296365072 /nfs/dbraw/zinc/36/50/72/296365072.db2.gz KKSCRQFUYFINFC-BHYGNILZSA-N 1 3 312.461 2.699 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000422995212 296365168 /nfs/dbraw/zinc/36/51/68/296365168.db2.gz XJEYXESMBGSHIK-DHSIGJKJSA-N 1 3 305.466 2.831 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000422995217 296365261 /nfs/dbraw/zinc/36/52/61/296365261.db2.gz XJEYXESMBGSHIK-YEWWUXTCSA-N 1 3 305.466 2.831 20 0 DFADHO COc1ccc(COCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422990808 296364549 /nfs/dbraw/zinc/36/45/49/296364549.db2.gz ODSHWTDTTNFYRI-OTWHNJEPSA-N 1 3 318.461 2.722 20 0 DFADHO COc1ccc(COCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422990806 296364618 /nfs/dbraw/zinc/36/46/18/296364618.db2.gz ODSHWTDTTNFYRI-GUDVDZBRSA-N 1 3 318.461 2.722 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000422989396 296364656 /nfs/dbraw/zinc/36/46/56/296364656.db2.gz LKJCMEXLEZSQJQ-DGCLKSJQSA-N 1 3 317.355 2.586 20 0 DFADHO COc1cccc(COCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423002821 296365865 /nfs/dbraw/zinc/36/58/65/296365865.db2.gz JXTNMBLYMKOZPK-OTWHNJEPSA-N 1 3 318.461 2.722 20 0 DFADHO COCCCOc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2N)c1 ZINC000423000695 296366008 /nfs/dbraw/zinc/36/60/08/296366008.db2.gz HEEGOWNBAPYADQ-ROUUACIJSA-N 1 3 306.450 2.852 20 0 DFADHO N[C@H]1CCCCC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000422997693 296365523 /nfs/dbraw/zinc/36/55/23/296365523.db2.gz VKBDKSBXNLZXLF-ZWKOTPCHSA-N 1 3 302.466 2.548 20 0 DFADHO CN(Cc1ccco1)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423009390 296367106 /nfs/dbraw/zinc/36/71/06/296367106.db2.gz VLIDSSYPPVABKL-RBUKOAKNSA-N 1 3 313.445 2.881 20 0 DFADHO CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1N ZINC000423009390 296367107 /nfs/dbraw/zinc/36/71/07/296367107.db2.gz VLIDSSYPPVABKL-RBUKOAKNSA-N 1 3 313.445 2.881 20 0 DFADHO c1nc(C2CC2)ncc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423008465 296367139 /nfs/dbraw/zinc/36/71/39/296367139.db2.gz AJIVELHKDFROLH-OKZBNKHCSA-N 1 3 314.477 2.797 20 0 DFADHO COc1cccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423009630 296366947 /nfs/dbraw/zinc/36/69/47/296366947.db2.gz WBDNGVMRJNAWQS-IXDOHACOSA-N 1 3 303.450 2.533 20 0 DFADHO CCO[C@H](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000625384379 399539995 /nfs/dbraw/zinc/53/99/95/399539995.db2.gz MLOSUCPHDAVCMK-HSALFYBXSA-N 1 3 314.473 2.865 20 0 DFADHO CCO[C@H](CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000625384379 399540000 /nfs/dbraw/zinc/54/00/00/399540000.db2.gz MLOSUCPHDAVCMK-HSALFYBXSA-N 1 3 314.473 2.865 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCCNCC2)cc1OC ZINC000423026946 296369118 /nfs/dbraw/zinc/36/91/18/296369118.db2.gz QNVACOQEKWZENZ-HOCLYGCPSA-N 1 3 306.450 2.614 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000423026021 296369123 /nfs/dbraw/zinc/36/91/23/296369123.db2.gz MTDUUXZMODDLET-SWLSCSKDSA-N 1 3 312.841 2.897 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000423024038 296369150 /nfs/dbraw/zinc/36/91/50/296369150.db2.gz ILAHPLCZAKTPCX-UKRRQHHQSA-N 1 3 312.841 2.897 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000423024037 296369184 /nfs/dbraw/zinc/36/91/84/296369184.db2.gz ILAHPLCZAKTPCX-HIFRSBDPSA-N 1 3 312.841 2.897 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)[C@H]1CCCCN1 ZINC000423018339 296368478 /nfs/dbraw/zinc/36/84/78/296368478.db2.gz YOYLKJLXUOWGTK-BFYDXBDKSA-N 1 3 305.441 2.915 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)[C@@H]1CCCCN1 ZINC000423018341 296368673 /nfs/dbraw/zinc/36/86/73/296368673.db2.gz YOYLKJLXUOWGTK-INMHGKMJSA-N 1 3 305.441 2.915 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H]3CCC[C@H]3C[NH3+])c2)CC1 ZINC000423021586 296368726 /nfs/dbraw/zinc/36/87/26/296368726.db2.gz CKEFAQWUELGMOM-QFBILLFUSA-N 1 3 316.493 2.756 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H]3C[NH2+]CC[C@H]3C)c2)CC1 ZINC000423022398 296368737 /nfs/dbraw/zinc/36/87/37/296368737.db2.gz FDRUWERELOPLFF-VQIMIIECSA-N 1 3 316.493 2.627 20 0 DFADHO C[C@H](CCC[NH3+])N[C@H](CCO)c1ccccc1Br ZINC000423033539 296370112 /nfs/dbraw/zinc/37/01/12/296370112.db2.gz OPEDPSRIDNLFSE-BXUZGUMPSA-N 1 3 315.255 2.590 20 0 DFADHO COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423034910 296370315 /nfs/dbraw/zinc/37/03/15/296370315.db2.gz QQVVPTGDKNSVJI-UKRRQHHQSA-N 1 3 317.433 2.740 20 0 DFADHO C[C@H](CCC[NH3+])N[C@@H](CCO)c1ccccc1Br ZINC000423033541 296370353 /nfs/dbraw/zinc/37/03/53/296370353.db2.gz OPEDPSRIDNLFSE-RISCZKNCSA-N 1 3 315.255 2.590 20 0 DFADHO CCC(CC)[C@@H]1C[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCO1 ZINC000423040162 296371104 /nfs/dbraw/zinc/37/11/04/296371104.db2.gz GSJRWLLOGBCAQA-SPOLIRPYSA-N 1 3 324.509 2.717 20 0 DFADHO C[C@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000423038629 296370686 /nfs/dbraw/zinc/37/06/86/296370686.db2.gz DDZPNOPBFVTUOJ-YNEHKIRRSA-N 1 3 311.832 2.645 20 0 DFADHO COc1ccc([C@H](NCC2(N(C)C)CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423053869 296372366 /nfs/dbraw/zinc/37/23/66/296372366.db2.gz BEALIVQJIDJTHN-ROUUACIJSA-N 1 3 317.477 2.562 20 0 DFADHO CCO[C@@H]1C[C@H](N[C@H](C)C[C@H]2CCCCC[NH2+]2)C12CCOCC2 ZINC000423054379 296372670 /nfs/dbraw/zinc/37/26/70/296372670.db2.gz UQTLDASKTPNQDL-ZJPYXAASSA-N 1 3 324.509 2.861 20 0 DFADHO Cn1nc(CC[NH2+][C@H]2C[C@@H](N)c3ccccc32)c2ccccc21 ZINC000423048761 296372154 /nfs/dbraw/zinc/37/21/54/296372154.db2.gz IRXXZZTZAVGMFN-AEFFLSMTSA-N 1 3 306.413 2.850 20 0 DFADHO COC[C@@H](CCC[NH3+])NC[C@@H](c1ccccc1)C(F)(F)F ZINC000423059551 296373412 /nfs/dbraw/zinc/37/34/12/296373412.db2.gz FTZKZIGWRVYYTA-KGLIPLIRSA-N 1 3 304.356 2.676 20 0 DFADHO Cc1cc(C(F)(F)F)ccc1CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423062108 296373443 /nfs/dbraw/zinc/37/34/43/296373443.db2.gz SKYRPFNUUMADKY-KCPJHIHWSA-N 1 3 316.367 2.856 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@@H](C)c1ccc(Br)s1 ZINC000423062708 296373744 /nfs/dbraw/zinc/37/37/44/296373744.db2.gz UTBMWCILFBRROI-UWVGGRQHSA-N 1 3 321.284 2.915 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423068847 296374647 /nfs/dbraw/zinc/37/46/47/296374647.db2.gz CXMQDGXRVNZOHJ-DGCLKSJQSA-N 1 3 317.355 2.586 20 0 DFADHO CCN(CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CCC(F)(F)F ZINC000423067880 296374694 /nfs/dbraw/zinc/37/46/94/296374694.db2.gz ALTMGCQLVLYVLP-RBSFLKMASA-N 1 3 321.431 2.771 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@](C)(O)C1CCCCC1 ZINC000423082992 296376305 /nfs/dbraw/zinc/37/63/05/296376305.db2.gz XZJIRSOCOCPKAJ-IPELMVKDSA-N 1 3 304.478 2.866 20 0 DFADHO C[C@@H](NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000423080345 296375876 /nfs/dbraw/zinc/37/58/76/296375876.db2.gz ABWXKBHENHXOOD-GALLPEHLSA-N 1 3 319.415 2.522 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423088744 296377112 /nfs/dbraw/zinc/37/71/12/296377112.db2.gz SOLVLXHHACFRNJ-VYESFELBSA-N 1 3 319.415 2.509 20 0 DFADHO Fc1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423096470 296377875 /nfs/dbraw/zinc/37/78/75/296377875.db2.gz OXVNAFMOVOJBNV-GPFWEFOESA-N 1 3 318.436 2.818 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423092046 296377458 /nfs/dbraw/zinc/37/74/58/296377458.db2.gz AGJPSZLQVHIASG-QZOZAFJCSA-N 1 3 306.425 2.804 20 0 DFADHO CSc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423092435 296377501 /nfs/dbraw/zinc/37/75/01/296377501.db2.gz BWNUHVSCFLMODF-OKZBNKHCSA-N 1 3 320.502 2.698 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000616994074 399557226 /nfs/dbraw/zinc/55/72/26/399557226.db2.gz UDZCWIUGYPZMCF-DLBZAZTESA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000616994074 399557229 /nfs/dbraw/zinc/55/72/29/399557229.db2.gz UDZCWIUGYPZMCF-DLBZAZTESA-N 1 3 323.525 2.734 20 0 DFADHO Fc1ccccc1CCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423097349 296377776 /nfs/dbraw/zinc/37/77/76/296377776.db2.gz QTIQLSIUTCEIHF-RYQLBKOJSA-N 1 3 306.425 2.505 20 0 DFADHO c1csc(N2CCC(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)n1 ZINC000423108110 296379396 /nfs/dbraw/zinc/37/93/96/296379396.db2.gz SSYLZFCIMWLYMF-ARFHVFGLSA-N 1 3 320.506 2.622 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(-n2cncn2)cc1 ZINC000624120366 399560073 /nfs/dbraw/zinc/56/00/73/399560073.db2.gz XJSQJNSLRLFLSY-HOTGVXAUSA-N 1 3 313.449 2.650 20 0 DFADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121593 399560572 /nfs/dbraw/zinc/56/05/72/399560572.db2.gz YIKCDMBAHCWSBK-VQTJNVASSA-N 1 3 315.505 2.973 20 0 DFADHO C[N@@H+]1CCCC[C@@H](CN[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121593 399560576 /nfs/dbraw/zinc/56/05/76/399560576.db2.gz YIKCDMBAHCWSBK-VQTJNVASSA-N 1 3 315.505 2.973 20 0 DFADHO CC1(C)SC[C@@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423113967 296380184 /nfs/dbraw/zinc/38/01/84/296380184.db2.gz ZLUNVQIFUYMFAG-UKPHBRMFSA-N 1 3 304.459 2.726 20 0 DFADHO C[N@H+]1CCCC[C@@H](CN[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121593 399560581 /nfs/dbraw/zinc/56/05/81/399560581.db2.gz YIKCDMBAHCWSBK-VQTJNVASSA-N 1 3 315.505 2.973 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccccc1-n1ccnn1 ZINC000624123411 399561006 /nfs/dbraw/zinc/56/10/06/399561006.db2.gz LNVFLHMMKDXCKJ-HOTGVXAUSA-N 1 3 313.449 2.650 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000624123951 399562947 /nfs/dbraw/zinc/56/29/47/399562947.db2.gz UPSNWPZTDSPNIF-BRWVUGGUSA-N 1 3 304.482 2.768 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000423122541 296381238 /nfs/dbraw/zinc/38/12/38/296381238.db2.gz JUFGUJYIRLHEBJ-MPGHIAIKSA-N 1 3 307.482 2.792 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@H]2CCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000423130833 296382156 /nfs/dbraw/zinc/38/21/56/296382156.db2.gz SFNIUBSAVPSKKH-WDSOQIARSA-N 1 3 319.493 2.794 20 0 DFADHO COc1ccc(CCN[C@@H](C)C[C@@H](C)[NH3+])c(Cl)c1OC ZINC000423129184 296381969 /nfs/dbraw/zinc/38/19/69/296381969.db2.gz DZNGJLIQVAOXCO-MNOVXSKESA-N 1 3 300.830 2.615 20 0 DFADHO COc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)N)c(Cl)c1OC ZINC000423129184 296381970 /nfs/dbraw/zinc/38/19/70/296381970.db2.gz DZNGJLIQVAOXCO-MNOVXSKESA-N 1 3 300.830 2.615 20 0 DFADHO Fc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423136977 296382923 /nfs/dbraw/zinc/38/29/23/296382923.db2.gz VPRNCSMFIOVXND-UOVPBQLFSA-N 1 3 317.452 2.915 20 0 DFADHO c1nc(SC2CCCC2)ncc1CCN[C@H]1CCC[NH2+]CC1 ZINC000423139262 296383446 /nfs/dbraw/zinc/38/34/46/296383446.db2.gz VBWZDECAXYRBSF-HNNXBMFYSA-N 1 3 320.506 2.786 20 0 DFADHO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423145762 296384831 /nfs/dbraw/zinc/38/48/31/296384831.db2.gz MIJWRZPSZQPUTG-PWSUYJOCSA-N 1 3 319.371 2.857 20 0 DFADHO c1ccc2c(c1)CC[C@@H]2CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423150004 296385403 /nfs/dbraw/zinc/38/54/03/296385403.db2.gz YJVBXCKXVCRYFR-VBSBHUPXSA-N 1 3 314.473 2.853 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000423156835 296386162 /nfs/dbraw/zinc/38/61/62/296386162.db2.gz LSTXGLIAZWLYTP-DZRGKWQISA-N 1 3 302.462 2.912 20 0 DFADHO COc1ccc([C@H](CO)CN[C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000423171505 296387777 /nfs/dbraw/zinc/38/77/77/296387777.db2.gz ORZWKLAPPVXACC-BPQIPLTHSA-N 1 3 320.477 2.672 20 0 DFADHO Cc1ccc2cc([C@H](C)NCCCN3CC[NH2+]CC3)oc2c1 ZINC000423175473 296388324 /nfs/dbraw/zinc/38/83/24/296388324.db2.gz APUHTGOUELUAFW-HNNXBMFYSA-N 1 3 301.434 2.687 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CS1 ZINC000423176902 296388521 /nfs/dbraw/zinc/38/85/21/296388521.db2.gz GNJVCPHICZZRQL-RPCCPQHDSA-N 1 3 304.459 2.726 20 0 DFADHO C[C@@H](NCCC[NH3+])c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423176653 296388540 /nfs/dbraw/zinc/38/85/40/296388540.db2.gz HQJLABBGUSMEBU-OAHLLOKOSA-N 1 3 324.428 2.913 20 0 DFADHO C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000617009389 399571618 /nfs/dbraw/zinc/57/16/18/399571618.db2.gz XZWHIZVMYLAITB-IRXDYDNUSA-N 1 3 317.477 2.668 20 0 DFADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N)CCCCC1 ZINC000423181754 296389452 /nfs/dbraw/zinc/38/94/52/296389452.db2.gz PKXJPMMNFHTVMV-WMZOPIPTSA-N 1 3 316.493 2.543 20 0 DFADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000423181754 296389454 /nfs/dbraw/zinc/38/94/54/296389454.db2.gz PKXJPMMNFHTVMV-WMZOPIPTSA-N 1 3 316.493 2.543 20 0 DFADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(N)CCCCC1 ZINC000423183910 296389602 /nfs/dbraw/zinc/38/96/02/296389602.db2.gz SIVUBFQWPSAGMK-AWEZNQCLSA-N 1 3 319.449 2.664 20 0 DFADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000423187191 296390132 /nfs/dbraw/zinc/39/01/32/296390132.db2.gz XJNFHTQAWOWDGD-GFCCVEGCSA-N 1 3 316.276 2.939 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC[C@](C)(O)c1ccccc1Cl ZINC000157559545 197197263 /nfs/dbraw/zinc/19/72/63/197197263.db2.gz LRWJQFVKDUXVDY-GFOFROLCSA-N 1 3 310.869 2.866 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC[C@](C)(O)c1ccccc1Cl ZINC000157559545 197197264 /nfs/dbraw/zinc/19/72/64/197197264.db2.gz LRWJQFVKDUXVDY-GFOFROLCSA-N 1 3 310.869 2.866 20 0 DFADHO COc1cc(C)c(C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000423215852 296393407 /nfs/dbraw/zinc/39/34/07/296393407.db2.gz OZGXNOVYFMBXPN-KTFSGNIMSA-N 1 3 318.461 2.816 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCCNC2)cc1OC ZINC000423220957 296393982 /nfs/dbraw/zinc/39/39/82/296393982.db2.gz YYUXACCSBYDFTG-ILXRZTDVSA-N 1 3 306.450 2.785 20 0 DFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000347805855 285183035 /nfs/dbraw/zinc/18/30/35/285183035.db2.gz CWHUDYNKEPVGKB-HZPDHXFCSA-N 1 3 311.514 2.589 20 0 DFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000347805855 285183038 /nfs/dbraw/zinc/18/30/38/285183038.db2.gz CWHUDYNKEPVGKB-HZPDHXFCSA-N 1 3 311.514 2.589 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)N[C@H](C[NH3+])C1CCCCC1 ZINC000423259511 296397783 /nfs/dbraw/zinc/39/77/83/296397783.db2.gz FCKGVNPNBLNCPY-MAUKXSAKSA-N 1 3 317.477 2.925 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000423272105 296399169 /nfs/dbraw/zinc/39/91/69/296399169.db2.gz YKMCRGUWXCNGHJ-YOEHRIQHSA-N 1 3 303.450 2.901 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])c2ccccc21 ZINC000423271792 296399293 /nfs/dbraw/zinc/39/92/93/296399293.db2.gz JJIPLMOOCODLDG-PILAGYSTSA-N 1 3 316.445 2.885 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)c2ccccc21 ZINC000423271792 296399294 /nfs/dbraw/zinc/39/92/94/296399294.db2.gz JJIPLMOOCODLDG-PILAGYSTSA-N 1 3 316.445 2.885 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423273423 296399498 /nfs/dbraw/zinc/39/94/98/296399498.db2.gz KQHGQNRSCMYTNA-CZUORRHYSA-N 1 3 306.454 2.850 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000423273965 296399624 /nfs/dbraw/zinc/39/96/24/296399624.db2.gz LGGHNNOFDIOFGK-RVSPLBMKSA-N 1 3 316.449 2.749 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@H]1CCc2cccc(Br)c2C1 ZINC000423276419 296399953 /nfs/dbraw/zinc/39/99/53/296399953.db2.gz OKZAABKGCOFOGM-YPMHNXCESA-N 1 3 311.267 2.752 20 0 DFADHO CNC[C@@H](C)C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423276419 296399955 /nfs/dbraw/zinc/39/99/55/296399955.db2.gz OKZAABKGCOFOGM-YPMHNXCESA-N 1 3 311.267 2.752 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000423296109 296402047 /nfs/dbraw/zinc/40/20/47/296402047.db2.gz GDNRVFHEWSMVPI-KGLIPLIRSA-N 1 3 306.454 2.806 20 0 DFADHO CCc1ccc([C@H](CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])N(C)C)cc1 ZINC000423310830 296402876 /nfs/dbraw/zinc/40/28/76/296402876.db2.gz SIIAXYGSFZUCHM-JCGIZDLHSA-N 1 3 319.493 2.587 20 0 DFADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(I)cc1 ZINC000423303376 296402457 /nfs/dbraw/zinc/40/24/57/296402457.db2.gz WYVZRXWAIWSNEZ-UWVGGRQHSA-N 1 3 318.202 2.537 20 0 DFADHO O[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000624217623 399601175 /nfs/dbraw/zinc/60/11/75/399601175.db2.gz ASCNVVWGXRSWEU-CENDIDJXSA-N 1 3 314.473 2.648 20 0 DFADHO Brc1ccccc1C[C@H](NC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000423330774 296405193 /nfs/dbraw/zinc/40/51/93/296405193.db2.gz GGUPFVQOKODLRY-WBMJQRKESA-N 1 3 323.278 2.969 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCN1 ZINC000423380806 296410748 /nfs/dbraw/zinc/41/07/48/296410748.db2.gz OCHLIODLSFJKKL-IUODEOHRSA-N 1 3 309.404 2.664 20 0 DFADHO CC[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc2c(c1)OCCO2 ZINC000271652720 209095979 /nfs/dbraw/zinc/09/59/79/209095979.db2.gz IMTLVHGBLIRRND-JKSUJKDBSA-N 1 3 304.434 2.983 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423387084 296411490 /nfs/dbraw/zinc/41/14/90/296411490.db2.gz HMFAEYLWNOUMNO-WBMJQRKESA-N 1 3 309.404 2.521 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1=CCCCCC1 ZINC000353711681 285242997 /nfs/dbraw/zinc/24/29/97/285242997.db2.gz CXFKOSUPFZQRTJ-GOSISDBHSA-N 1 3 321.509 2.751 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1=CCCCCC1 ZINC000353711681 285242998 /nfs/dbraw/zinc/24/29/98/285242998.db2.gz CXFKOSUPFZQRTJ-GOSISDBHSA-N 1 3 321.509 2.751 20 0 DFADHO COc1cc(F)c([C@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000423421781 296415114 /nfs/dbraw/zinc/41/51/14/296415114.db2.gz BACILEMVXAWIQF-HZUKXOBISA-N 1 3 322.424 2.882 20 0 DFADHO C[C@@H](CCC[NH3+])N[C@@H](C)c1ncc(Br)cc1F ZINC000423455705 296417915 /nfs/dbraw/zinc/41/79/15/296417915.db2.gz MZTROIYROIXLFH-IUCAKERBSA-N 1 3 304.207 2.761 20 0 DFADHO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423470635 296419141 /nfs/dbraw/zinc/41/91/41/296419141.db2.gz LNHLIMFUCIVFLR-SIUPPRGNSA-N 1 3 306.425 2.533 20 0 DFADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccncc1 ZINC000423579436 296430819 /nfs/dbraw/zinc/43/08/19/296430819.db2.gz WFJZPJMJVCCJEB-KRWDZBQOSA-N 1 3 324.472 2.726 20 0 DFADHO CN1CC[NH+](CC2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000289495606 221016402 /nfs/dbraw/zinc/01/64/02/221016402.db2.gz SGUJEHQBCKHDRX-VMPITWQZSA-N 1 3 313.489 2.659 20 0 DFADHO Cc1ccc(F)cc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000289538270 221051566 /nfs/dbraw/zinc/05/15/66/221051566.db2.gz WQNAZFRRRRWUEK-UHFFFAOYSA-N 1 3 319.468 2.594 20 0 DFADHO Cc1cn[nH]c1CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000289586470 221085654 /nfs/dbraw/zinc/08/56/54/221085654.db2.gz SYGSFJVFIBMXCP-HOTGVXAUSA-N 1 3 312.461 2.964 20 0 DFADHO COCCOCc1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000289606856 221098379 /nfs/dbraw/zinc/09/83/79/221098379.db2.gz DRZMKMQPHGFRDF-UHFFFAOYSA-N 1 3 320.477 2.815 20 0 DFADHO Cc1cccc2c1C[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CO2 ZINC000629515264 399631640 /nfs/dbraw/zinc/63/16/40/399631640.db2.gz RERLMUXGFHLICM-UOVPBQLFSA-N 1 3 300.446 2.809 20 0 DFADHO FC(F)CN1CCC[C@@H]1CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000629518175 399633146 /nfs/dbraw/zinc/63/31/46/399633146.db2.gz FLYMPLHPVJFKFP-ZACQAIPSSA-N 1 3 323.431 2.799 20 0 DFADHO NC1(C[NH2+][C@H](C[C@@H]2CCCO2)c2ccc(F)cc2)CCOCC1 ZINC000629519886 399634088 /nfs/dbraw/zinc/63/40/88/399634088.db2.gz IMRUVGJGBRNCHH-DLBZAZTESA-N 1 3 322.424 2.533 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000289860415 221274717 /nfs/dbraw/zinc/27/47/17/221274717.db2.gz LCNIASWXWUMKOH-ZMSDIMECSA-N 1 3 317.477 2.620 20 0 DFADHO C[NH2+]CCOCCN[C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000629529501 399637464 /nfs/dbraw/zinc/63/74/64/399637464.db2.gz FFLHEJHINZPYRV-OAHLLOKOSA-N 1 3 312.841 2.688 20 0 DFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000289940870 221331088 /nfs/dbraw/zinc/33/10/88/221331088.db2.gz UGKRGGFRGBQJPV-CQSZACIVSA-N 1 3 306.454 2.598 20 0 DFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000289940870 221331091 /nfs/dbraw/zinc/33/10/91/221331091.db2.gz UGKRGGFRGBQJPV-CQSZACIVSA-N 1 3 306.454 2.598 20 0 DFADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CC1 ZINC000629531412 399637820 /nfs/dbraw/zinc/63/78/20/399637820.db2.gz KDLIZZQNICXVIC-NNPSNHGLSA-N 1 3 312.498 2.702 20 0 DFADHO C[NH2+]CCOCCN[C@@H](Cc1ccccc1F)c1ccccc1 ZINC000629530876 399637902 /nfs/dbraw/zinc/63/79/02/399637902.db2.gz UBFAPJPNUOHUQB-IBGZPJMESA-N 1 3 316.420 2.935 20 0 DFADHO C[NH2+]CCOCCN[C@@H]1CCCOc2c(C(C)C)cccc21 ZINC000629530188 399637952 /nfs/dbraw/zinc/63/79/52/399637952.db2.gz YDRYUJGEASKOLG-QGZVFWFLSA-N 1 3 306.450 2.849 20 0 DFADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000290033323 221391647 /nfs/dbraw/zinc/39/16/47/221391647.db2.gz RYWUOLXITCUBGK-DLBZAZTESA-N 1 3 303.450 2.855 20 0 DFADHO C[NH2+]CCOCCN(C)Cc1ccc(Cl)c2cccnc12 ZINC000629571476 399652650 /nfs/dbraw/zinc/65/26/50/399652650.db2.gz VJKBHZWLFFXYTD-UHFFFAOYSA-N 1 3 307.825 2.556 20 0 DFADHO CC(C)c1ccc(O[C@@H](C)C[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000629581114 399653376 /nfs/dbraw/zinc/65/33/76/399653376.db2.gz NMHSBGBXUCKOGE-WMZOPIPTSA-N 1 3 320.477 2.624 20 0 DFADHO O[C@H](CNC[C@H]1CCC[C@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000629579513 399653431 /nfs/dbraw/zinc/65/34/31/399653431.db2.gz FGMQPELFBMTYKY-QRVBRYPASA-N 1 3 302.462 2.617 20 0 DFADHO O[C@H](CN[C@@H]1CC[C@H](c2cccc(F)c2)C1)C[NH+]1CCCC1 ZINC000629578930 399654219 /nfs/dbraw/zinc/65/42/19/399654219.db2.gz NUELLEBABQKYQU-CGTJXYLNSA-N 1 3 306.425 2.508 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@H]1NC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000629610232 399663025 /nfs/dbraw/zinc/66/30/25/399663025.db2.gz UZBHOOMCDXGSTL-SESVDKBCSA-N 1 3 324.468 2.933 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@H]1NC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000629610232 399663029 /nfs/dbraw/zinc/66/30/29/399663029.db2.gz UZBHOOMCDXGSTL-SESVDKBCSA-N 1 3 324.468 2.933 20 0 DFADHO FC(F)(F)C1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000629550585 399645036 /nfs/dbraw/zinc/64/50/36/399645036.db2.gz NXUHKZQFRDHDGL-MELADBBJSA-N 1 3 320.399 2.856 20 0 DFADHO Cc1cccc(C2(CNC[C@H](O)C[NH+]3CCCC3)CCCC2)c1 ZINC000629559900 399648837 /nfs/dbraw/zinc/64/88/37/399648837.db2.gz PIJQDNBELVKGJS-IBGZPJMESA-N 1 3 316.489 2.853 20 0 DFADHO O[C@@H](CNCC1(c2cccs2)CCCCC1)C[NH+]1CCCC1 ZINC000629564039 399650172 /nfs/dbraw/zinc/65/01/72/399650172.db2.gz JQJIFYGOAQFBMQ-INIZCTEOSA-N 1 3 322.518 2.996 20 0 DFADHO CCc1ccc(C(C)(C)CNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629562223 399650206 /nfs/dbraw/zinc/65/02/06/399650206.db2.gz CCHJYRLNMGDOPI-SFHVURJKSA-N 1 3 304.478 2.573 20 0 DFADHO COc1ccccc1-c1ccc(CN(C)CCOCC[NH3+])cc1 ZINC000629668014 399682829 /nfs/dbraw/zinc/68/28/29/399682829.db2.gz ZDSIXBYGTKRFTI-UHFFFAOYSA-N 1 3 314.429 2.769 20 0 DFADHO Cc1nn(C)c(N(C)C)c1CNCCCC[N@H+]1CCCC[C@@H]1C ZINC000624511465 399695828 /nfs/dbraw/zinc/69/58/28/399695828.db2.gz ISABMEDANPDXIC-HNNXBMFYSA-N 1 3 321.513 2.539 20 0 DFADHO Cc1nn(C)c(N(C)C)c1CNCCCC[N@@H+]1CCCC[C@@H]1C ZINC000624511465 399695832 /nfs/dbraw/zinc/69/58/32/399695832.db2.gz ISABMEDANPDXIC-HNNXBMFYSA-N 1 3 321.513 2.539 20 0 DFADHO C[NH2+]CCOCCN(C)Cc1c(OC)ccc2ccccc21 ZINC000629652151 399676333 /nfs/dbraw/zinc/67/63/33/399676333.db2.gz BIUSRPLAPCBSGC-UHFFFAOYSA-N 1 3 302.418 2.516 20 0 DFADHO C[NH2+]CCOCCN(C)Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000629653086 399676609 /nfs/dbraw/zinc/67/66/09/399676609.db2.gz MVHVTWIGNNIVOJ-UHFFFAOYSA-N 1 3 316.392 2.573 20 0 DFADHO CN1CCN(Cc2ccccc2-c2cccc(CC[NH3+])c2)CC1 ZINC000629735292 399707490 /nfs/dbraw/zinc/70/74/90/399707490.db2.gz PYHLPTGAGPPMPP-UHFFFAOYSA-N 1 3 309.457 2.602 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000617503611 399720825 /nfs/dbraw/zinc/72/08/25/399720825.db2.gz QPUAAOULUJNXBM-GVDBMIGSSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000617503611 399720828 /nfs/dbraw/zinc/72/08/28/399720828.db2.gz QPUAAOULUJNXBM-GVDBMIGSSA-N 1 3 323.525 2.591 20 0 DFADHO O[C@H](CCN1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000318808690 285348711 /nfs/dbraw/zinc/34/87/11/285348711.db2.gz BBELVLFYVACEMW-LJQANCHMSA-N 1 3 302.462 2.918 20 0 DFADHO CN(CCC(=O)Nc1cccc(Cl)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000121050094 195288046 /nfs/dbraw/zinc/28/80/46/195288046.db2.gz YCEQYTFZPATOOP-CYBMUJFWSA-N 1 3 309.841 2.552 20 0 DFADHO CN(CCC(=O)Nc1cccc(Cl)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000121050094 195288047 /nfs/dbraw/zinc/28/80/47/195288047.db2.gz YCEQYTFZPATOOP-CYBMUJFWSA-N 1 3 309.841 2.552 20 0 DFADHO CN1CC[C@@H](C[N@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000121065138 195289214 /nfs/dbraw/zinc/28/92/14/195289214.db2.gz SSLUBDOYXVYOCA-DOMZBBRYSA-N 1 3 316.367 2.622 20 0 DFADHO CN1CC[C@@H](C[N@@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000121065138 195289216 /nfs/dbraw/zinc/28/92/16/195289216.db2.gz SSLUBDOYXVYOCA-DOMZBBRYSA-N 1 3 316.367 2.622 20 0 DFADHO CCC(O)(CC)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000121887469 195368884 /nfs/dbraw/zinc/36/88/84/195368884.db2.gz NEZISQHTRFUAPE-OAHLLOKOSA-N 1 3 308.466 2.829 20 0 DFADHO C[C@H]1CCN[C@@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000423782578 296447342 /nfs/dbraw/zinc/44/73/42/296447342.db2.gz ZIQBWACLHFSHGZ-MAUKXSAKSA-N 1 3 315.461 2.652 20 0 DFADHO CCN(CCO[C@H]1CC1(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063729 399742397 /nfs/dbraw/zinc/74/23/97/399742397.db2.gz NWCCSNRISKJUNM-INIZCTEOSA-N 1 3 312.404 2.994 20 0 DFADHO CC1CC[NH+](CCc2cccc(NC(=O)C(C)(C)N)c2)CC1 ZINC000423842089 296455298 /nfs/dbraw/zinc/45/52/98/296455298.db2.gz JTTCXURWKNDZEA-UHFFFAOYSA-N 1 3 303.450 2.637 20 0 DFADHO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000294947294 533468801 /nfs/dbraw/zinc/46/88/01/533468801.db2.gz DBXOUWZKQYOVHM-HNNXBMFYSA-N 1 3 319.493 2.892 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)CCN1C ZINC000309746987 533650032 /nfs/dbraw/zinc/65/00/32/533650032.db2.gz UTIRFYZKEUABCP-HOJAQTOUSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc(OCCN(C)C)c1 ZINC000121379463 542584184 /nfs/dbraw/zinc/58/41/84/542584184.db2.gz BLLOVNKCNNAGKD-NUJGCVRESA-N 1 3 320.477 2.829 20 0 DFADHO C[NH+](C)C1CCN(CCN[C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121501757 542585517 /nfs/dbraw/zinc/58/55/17/542585517.db2.gz YMWMYHAYFRZXCV-SFHVURJKSA-N 1 3 323.431 2.568 20 0 DFADHO CCC[NH+]1CCC(NC[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC000124753541 542598415 /nfs/dbraw/zinc/59/84/15/542598415.db2.gz DHESXUWMZDCPJQ-SFHVURJKSA-N 1 3 307.457 2.892 20 0 DFADHO CCCN1CCC([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC000124753541 542598419 /nfs/dbraw/zinc/59/84/19/542598419.db2.gz DHESXUWMZDCPJQ-SFHVURJKSA-N 1 3 307.457 2.892 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000629961027 399770235 /nfs/dbraw/zinc/77/02/35/399770235.db2.gz GSARFIJDXXMNNO-SJORKVTESA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000629961027 399770240 /nfs/dbraw/zinc/77/02/40/399770240.db2.gz GSARFIJDXXMNNO-SJORKVTESA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000629961026 399770518 /nfs/dbraw/zinc/77/05/18/399770518.db2.gz GSARFIJDXXMNNO-IRXDYDNUSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000629961026 399770521 /nfs/dbraw/zinc/77/05/21/399770521.db2.gz GSARFIJDXXMNNO-IRXDYDNUSA-N 1 3 321.509 2.584 20 0 DFADHO CN(CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CCC1 ZINC000629991240 399784432 /nfs/dbraw/zinc/78/44/32/399784432.db2.gz RVUYCHLYROSXIO-INIZCTEOSA-N 1 3 323.868 2.543 20 0 DFADHO Cc1cnn(CCCCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151335805 542665973 /nfs/dbraw/zinc/66/59/73/542665973.db2.gz YMNYUNMUVRMYBZ-UHFFFAOYSA-N 1 3 313.449 2.579 20 0 DFADHO CC(C)C[C@@H](N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000167789957 542753771 /nfs/dbraw/zinc/75/37/71/542753771.db2.gz AARFZAOEYHEPHL-MAUKXSAKSA-N 1 3 317.477 2.702 20 0 DFADHO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000180426140 542784540 /nfs/dbraw/zinc/78/45/40/542784540.db2.gz UFOWLARRHSKYIA-QAPCUYQASA-N 1 3 312.461 2.933 20 0 DFADHO NC1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCCC1 ZINC000237953054 542908136 /nfs/dbraw/zinc/90/81/36/542908136.db2.gz IDRKRVZJBGJPLV-UHFFFAOYSA-N 1 3 301.434 2.535 20 0 DFADHO c1cnn(-c2ccccc2CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000261621399 542952233 /nfs/dbraw/zinc/95/22/33/542952233.db2.gz AYDCMJASPHYTEK-OKZBNKHCSA-N 1 3 310.445 2.883 20 0 DFADHO COC[C@@H](O)CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449208867 297423091 /nfs/dbraw/zinc/42/30/91/297423091.db2.gz PUWZBEZJGFEVDH-INIZCTEOSA-N 1 3 314.514 2.653 20 0 DFADHO CC(C)(C)NC(=[NH2+])NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309765098 543065686 /nfs/dbraw/zinc/06/56/86/543065686.db2.gz ZGNRCFKVVXGMFN-MRXNPFEDSA-N 1 3 302.466 2.811 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000321587634 543086058 /nfs/dbraw/zinc/08/60/58/543086058.db2.gz WINZATVMULRDOI-RCCFBDPRSA-N 1 3 317.477 2.561 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1CN(C)C ZINC000339275491 543143729 /nfs/dbraw/zinc/14/37/29/543143729.db2.gz LHXVWIRQTGGFME-MRXNPFEDSA-N 1 3 317.477 2.629 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1CN(C)C ZINC000339275491 543143732 /nfs/dbraw/zinc/14/37/32/543143732.db2.gz LHXVWIRQTGGFME-MRXNPFEDSA-N 1 3 317.477 2.629 20 0 DFADHO COc1ccc(CCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000339069791 543140264 /nfs/dbraw/zinc/14/02/64/543140264.db2.gz LIZDMCSWEQLGCI-SJORKVTESA-N 1 3 318.461 2.853 20 0 DFADHO COc1ccc(CCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000339069791 543140266 /nfs/dbraw/zinc/14/02/66/543140266.db2.gz LIZDMCSWEQLGCI-SJORKVTESA-N 1 3 318.461 2.853 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000339070199 543140705 /nfs/dbraw/zinc/14/07/05/543140705.db2.gz XQDDZUUQCGYJLC-QYZOEREBSA-N 1 3 301.478 2.814 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000339070199 543140708 /nfs/dbraw/zinc/14/07/08/543140708.db2.gz XQDDZUUQCGYJLC-QYZOEREBSA-N 1 3 301.478 2.814 20 0 DFADHO CSc1ccc(OCCN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342101408 543161429 /nfs/dbraw/zinc/16/14/29/543161429.db2.gz KQMCOAXYHPJTPZ-RRQGHBQHSA-N 1 3 306.475 2.847 20 0 DFADHO CC1(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCC1 ZINC000397490462 543310722 /nfs/dbraw/zinc/31/07/22/543310722.db2.gz IFZXPJCKUKBPIG-UHFFFAOYSA-N 1 3 302.462 2.793 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000414907705 543328063 /nfs/dbraw/zinc/32/80/63/543328063.db2.gz AVEOUCSUZHJFGD-RYRKJORJSA-N 1 3 304.434 2.604 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(F)c(Br)c2)C1 ZINC000414930687 543328250 /nfs/dbraw/zinc/32/82/50/543328250.db2.gz TYINEXYNMQPOSV-QWRGUYRKSA-N 1 3 301.203 2.948 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000414932954 543328402 /nfs/dbraw/zinc/32/84/02/543328402.db2.gz WGAQSELTOLEVTJ-HRCADAONSA-N 1 3 303.450 2.880 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H](N)C2)c(C)c1 ZINC000414932954 543328403 /nfs/dbraw/zinc/32/84/03/543328403.db2.gz WGAQSELTOLEVTJ-HRCADAONSA-N 1 3 303.450 2.880 20 0 DFADHO CC[NH+](CC)C[C@@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416163245 543331930 /nfs/dbraw/zinc/33/19/30/543331930.db2.gz XEZIXMDIHOIKQR-NVXWUHKLSA-N 1 3 305.466 2.526 20 0 DFADHO CCOc1cc2nccc(N3C[C@@H]4C[C@H]3C[NH2+]4)c2cc1OCC ZINC000630553410 399902591 /nfs/dbraw/zinc/90/25/91/399902591.db2.gz HIFDGGYIRVCECD-STQMWFEESA-N 1 3 313.401 2.583 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NC2(C[NH3+])CCCCC2)c1 ZINC000630581028 399905734 /nfs/dbraw/zinc/90/57/34/399905734.db2.gz JWKSEYNMOJXCOI-UHFFFAOYSA-N 1 3 304.438 2.531 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNCc2c3c(nn2C)CCCC3)C1 ZINC000631042657 399967911 /nfs/dbraw/zinc/96/79/11/399967911.db2.gz KWNGANBLGBALIS-INIZCTEOSA-N 1 3 318.509 2.901 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNCc2c3c(nn2C)CCCC3)C1 ZINC000631042657 399967914 /nfs/dbraw/zinc/96/79/14/399967914.db2.gz KWNGANBLGBALIS-INIZCTEOSA-N 1 3 318.509 2.901 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(=O)[nH]c1 ZINC000631194912 400000824 /nfs/dbraw/zinc/00/08/24/400000824.db2.gz SEWRAECUKMDJPX-CRAIPNDOSA-N 1 3 311.429 2.645 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(=O)[nH]c1 ZINC000631194912 400000826 /nfs/dbraw/zinc/00/08/26/400000826.db2.gz SEWRAECUKMDJPX-CRAIPNDOSA-N 1 3 311.429 2.645 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631194912 400000828 /nfs/dbraw/zinc/00/08/28/400000828.db2.gz SEWRAECUKMDJPX-CRAIPNDOSA-N 1 3 311.429 2.645 20 0 DFADHO CC[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000628214295 400002993 /nfs/dbraw/zinc/00/29/93/400002993.db2.gz RTEZOWNHYCCMHD-SQNIBIBYSA-N 1 3 307.526 2.961 20 0 DFADHO c1nc(C2CC2)oc1CNCC1CCN(c2cc[nH+]cc2)CC1 ZINC000628232022 400005379 /nfs/dbraw/zinc/00/53/79/400005379.db2.gz JTCYUMSFHBKOQM-UHFFFAOYSA-N 1 3 312.417 2.953 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc2[nH]ccc2c1 ZINC000628278106 400012784 /nfs/dbraw/zinc/01/27/84/400012784.db2.gz ZVTDVXPTRCHHTM-UHFFFAOYSA-N 1 3 314.477 2.626 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc2[nH]ccc2c1 ZINC000628278106 400012785 /nfs/dbraw/zinc/01/27/85/400012785.db2.gz ZVTDVXPTRCHHTM-UHFFFAOYSA-N 1 3 314.477 2.626 20 0 DFADHO CN1CCCC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000628425430 400031437 /nfs/dbraw/zinc/03/14/37/400031437.db2.gz KNZCVRLGJPVLEY-KRWDZBQOSA-N 1 3 302.462 2.876 20 0 DFADHO CN(C)[C@H](CC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000628747380 400052014 /nfs/dbraw/zinc/05/20/14/400052014.db2.gz PEHKHJCQYTVNJE-FUHWJXTLSA-N 1 3 317.477 2.528 20 0 DFADHO CN(C)[C@H](CC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628747380 400052016 /nfs/dbraw/zinc/05/20/16/400052016.db2.gz PEHKHJCQYTVNJE-FUHWJXTLSA-N 1 3 317.477 2.528 20 0 DFADHO COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000631566134 400052047 /nfs/dbraw/zinc/05/20/47/400052047.db2.gz LQYCFQYJOHRDAV-PBHICJAKSA-N 1 3 316.445 2.983 20 0 DFADHO c1cnc2c(c1)[C@@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCC2 ZINC000631579945 400054273 /nfs/dbraw/zinc/05/42/73/400054273.db2.gz DGBKMCBNHQDUCP-BEFAXECRSA-N 1 3 315.461 2.550 20 0 DFADHO CCN1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667162 400064252 /nfs/dbraw/zinc/06/42/52/400064252.db2.gz LQBNNVGIFBKRPB-IEBWSBKVSA-N 1 3 315.505 2.828 20 0 DFADHO C[C@H]1CN(Cc2cccc(OCc3ccccn3)c2)C[C@H]1C[NH3+] ZINC000631837000 400078773 /nfs/dbraw/zinc/07/87/73/400078773.db2.gz LJJUBDRVXBBWDO-DOTOQJQBSA-N 1 3 311.429 2.687 20 0 DFADHO C[NH+](C)CCOCCNCc1cc(F)cc(C(F)(F)F)c1 ZINC000231676353 146016610 /nfs/dbraw/zinc/01/66/10/146016610.db2.gz YRKLHTODDKNCBT-UHFFFAOYSA-N 1 3 308.319 2.512 20 0 DFADHO CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000236765113 146026388 /nfs/dbraw/zinc/02/63/88/146026388.db2.gz QIPRJNGYRPPHSZ-KGLIPLIRSA-N 1 3 309.479 2.519 20 0 DFADHO O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000249038456 146184193 /nfs/dbraw/zinc/18/41/93/146184193.db2.gz GKESKQXWQQGAHL-MFKWGIFDSA-N 1 3 314.473 2.648 20 0 DFADHO CO[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000249091637 146187155 /nfs/dbraw/zinc/18/71/55/146187155.db2.gz NMUYFVYVFBWATI-OQIJWPOYSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccsc1 ZINC000453120320 543371105 /nfs/dbraw/zinc/37/11/05/543371105.db2.gz WLFYGTWOGPMJFB-MRXNPFEDSA-N 1 3 323.506 2.732 20 0 DFADHO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C=CCCC1 ZINC000249533426 146200515 /nfs/dbraw/zinc/20/05/15/146200515.db2.gz BRAASBWTQHSMHM-MOPGFXCFSA-N 1 3 300.446 2.664 20 0 DFADHO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C=CCCC1 ZINC000249533426 146200516 /nfs/dbraw/zinc/20/05/16/146200516.db2.gz BRAASBWTQHSMHM-MOPGFXCFSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000253550190 146228205 /nfs/dbraw/zinc/22/82/05/146228205.db2.gz OAWMSBUWOXVCNZ-DFGXFYAUSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000253550190 146228209 /nfs/dbraw/zinc/22/82/09/146228209.db2.gz OAWMSBUWOXVCNZ-DFGXFYAUSA-N 1 3 321.509 2.628 20 0 DFADHO CN(C/C=C\C[N@H+](C)CCc1ccccn1)CCc1ccccn1 ZINC000255034377 146231572 /nfs/dbraw/zinc/23/15/72/146231572.db2.gz ULLMJRKOLXRJIU-FPLPWBNLSA-N 1 3 324.472 2.682 20 0 DFADHO CN(C/C=C\C[N@@H+](C)CCc1ccccn1)CCc1ccccn1 ZINC000255034377 146231576 /nfs/dbraw/zinc/23/15/76/146231576.db2.gz ULLMJRKOLXRJIU-FPLPWBNLSA-N 1 3 324.472 2.682 20 0 DFADHO [NH3+][C@H]1C[C@@H](NC2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000261613510 146247055 /nfs/dbraw/zinc/24/70/55/146247055.db2.gz BIZKJAFGXMJRRE-ZWKOTPCHSA-N 1 3 308.429 2.785 20 0 DFADHO CC(C)(C)c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)s1 ZINC000261731758 146267514 /nfs/dbraw/zinc/26/75/14/146267514.db2.gz RIDUFKZXSRFJPE-AWEZNQCLSA-N 1 3 307.507 2.525 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc2c(c1)OCCO2 ZINC000261742345 146269114 /nfs/dbraw/zinc/26/91/14/146269114.db2.gz OBGBAERQWDZTJN-RDJZCZTQSA-N 1 3 318.461 2.901 20 0 DFADHO c1cc2c(cc1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)OCCO2 ZINC000261752557 146271124 /nfs/dbraw/zinc/27/11/24/146271124.db2.gz PCPXVPFBINSVQU-BRWVUGGUSA-N 1 3 316.445 2.511 20 0 DFADHO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)[C@@H](C)CN1Cc1ccccc1 ZINC000261774088 146275150 /nfs/dbraw/zinc/27/51/50/146275150.db2.gz DYQJCQXKAMGNDV-AOIWGVFYSA-N 1 3 301.478 2.581 20 0 DFADHO CC[NH+](CC)CC1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000261800818 146279342 /nfs/dbraw/zinc/27/93/42/146279342.db2.gz UUDKVGHPFFHJKX-SFHVURJKSA-N 1 3 317.477 2.657 20 0 DFADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc(OC)c1 ZINC000261836733 146286371 /nfs/dbraw/zinc/28/63/71/146286371.db2.gz CAKDVGDMVCPJAU-SFHVURJKSA-N 1 3 304.434 2.668 20 0 DFADHO COc1ccc(CC[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1 ZINC000261844749 146287620 /nfs/dbraw/zinc/28/76/20/146287620.db2.gz USDZQJNYYXQUSF-QUCCMNQESA-N 1 3 310.441 2.912 20 0 DFADHO COc1ccc(CC[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1 ZINC000261844749 146287622 /nfs/dbraw/zinc/28/76/22/146287622.db2.gz USDZQJNYYXQUSF-QUCCMNQESA-N 1 3 310.441 2.912 20 0 DFADHO COc1ccc(CCN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261844749 146287624 /nfs/dbraw/zinc/28/76/24/146287624.db2.gz USDZQJNYYXQUSF-QUCCMNQESA-N 1 3 310.441 2.912 20 0 DFADHO C[C@@H]1CCC[C@@](CNC(=O)c2ccc3c(c2)CNC3)([NH+](C)C)C1 ZINC000261854632 146290275 /nfs/dbraw/zinc/29/02/75/146290275.db2.gz JVMJPUKWOHRHRV-AUUYWEPGSA-N 1 3 315.461 2.530 20 0 DFADHO [NH3+][C@@H]1C[C@H](NCCc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000261943351 146307686 /nfs/dbraw/zinc/30/76/86/146307686.db2.gz VAENXLXRXLUVFG-SJORKVTESA-N 1 3 310.397 2.735 20 0 DFADHO CC[C@@H](c1ccc(Cl)cc1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261946206 146307730 /nfs/dbraw/zinc/30/77/30/146307730.db2.gz MFQWVIPFPBEPIM-HOCLYGCPSA-N 1 3 323.868 2.578 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000261963186 146309883 /nfs/dbraw/zinc/30/98/83/146309883.db2.gz XZUXIXQPNWEWNV-GOSISDBHSA-N 1 3 321.509 2.761 20 0 DFADHO C[C@]1(CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CC[NH2+]C1 ZINC000261977866 146313873 /nfs/dbraw/zinc/31/38/73/146313873.db2.gz IXLUWVNNPMVQIA-KURKYZTESA-N 1 3 306.425 2.713 20 0 DFADHO CC(=O)Nc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000261986935 146317738 /nfs/dbraw/zinc/31/77/38/146317738.db2.gz SHUXPRUNLZVLKD-GOSISDBHSA-N 1 3 301.434 2.609 20 0 DFADHO c1ccc2c(c1)C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)O2 ZINC000262326105 146351154 /nfs/dbraw/zinc/35/11/54/146351154.db2.gz RQDNJUXMYZZKBZ-XMTFNYHQSA-N 1 3 300.446 2.891 20 0 DFADHO C[C@@H](C(=O)N(CCC[NH3+])Cc1ccccc1)N1CCCCCC1 ZINC000262495655 146364306 /nfs/dbraw/zinc/36/43/06/146364306.db2.gz WHLMISWCJVYVQY-KRWDZBQOSA-N 1 3 317.477 2.629 20 0 DFADHO Cc1ccc2nccc(NC[C@]3([NH+](C)C)CCSC3)c2c1 ZINC000354579480 147086963 /nfs/dbraw/zinc/08/69/63/147086963.db2.gz PHOYPVMDSPOHFF-QGZVFWFLSA-N 1 3 301.459 2.814 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC1(C)C ZINC000355282779 147251040 /nfs/dbraw/zinc/25/10/40/147251040.db2.gz SBGGVIBBEKEUBW-SJORKVTESA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC1(C)C ZINC000355282779 147251041 /nfs/dbraw/zinc/25/10/41/147251041.db2.gz SBGGVIBBEKEUBW-SJORKVTESA-N 1 3 323.525 2.687 20 0 DFADHO C[C@H](CC(C)(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000355286662 147252441 /nfs/dbraw/zinc/25/24/41/147252441.db2.gz GRVVWUTWPRTZBE-OAHLLOKOSA-N 1 3 323.525 2.734 20 0 DFADHO CN(C)Cc1cccc(C(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000355347974 147278358 /nfs/dbraw/zinc/27/83/58/147278358.db2.gz VBNUHVWTSWPPIW-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNC/C=C/c2ccc(F)cc2F)CC1 ZINC000350071942 285998973 /nfs/dbraw/zinc/99/89/73/285998973.db2.gz ALUXRSDFBBBAEM-ONEGZZNKSA-N 1 3 324.415 2.803 20 0 DFADHO COC[C@H](CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000585094108 543460022 /nfs/dbraw/zinc/46/00/22/543460022.db2.gz BJGTVVOVIZOGFM-UHOSZYNNSA-N 1 3 320.477 2.633 20 0 DFADHO COC[C@H](CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000585094108 543460024 /nfs/dbraw/zinc/46/00/24/543460024.db2.gz BJGTVVOVIZOGFM-UHOSZYNNSA-N 1 3 320.477 2.633 20 0 DFADHO C[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCCC1 ZINC000357807246 148131311 /nfs/dbraw/zinc/13/13/11/148131311.db2.gz BVGYQPUGFDANGG-FGTMMUONSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCCC1 ZINC000357807246 148131317 /nfs/dbraw/zinc/13/13/17/148131317.db2.gz BVGYQPUGFDANGG-FGTMMUONSA-N 1 3 323.525 2.735 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000358186849 148277105 /nfs/dbraw/zinc/27/71/05/148277105.db2.gz JBLIBERHJJVMEP-MRXNPFEDSA-N 1 3 322.468 2.829 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC[C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000358186849 148277107 /nfs/dbraw/zinc/27/71/07/148277107.db2.gz JBLIBERHJJVMEP-MRXNPFEDSA-N 1 3 322.468 2.829 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000358193444 148280448 /nfs/dbraw/zinc/28/04/48/148280448.db2.gz YLYZLFMNWUXMJX-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000358193444 148280451 /nfs/dbraw/zinc/28/04/51/148280451.db2.gz YLYZLFMNWUXMJX-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)(C)[C@@H]1C[C@@H](NCc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425894420 296603283 /nfs/dbraw/zinc/60/32/83/296603283.db2.gz GMWUIGZXWZKVIL-YOEHRIQHSA-N 1 3 321.465 2.825 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc(OCCN(C)C)c1 ZINC000361075562 149023161 /nfs/dbraw/zinc/02/31/61/149023161.db2.gz HJKMDUJVOSWSLY-DOTOQJQBSA-N 1 3 317.477 2.514 20 0 DFADHO C1CC2(C1)[C@H]([NH2+]C1CCN(C3CCCC3)CC1)[C@@H]1CCO[C@H]12 ZINC000361180938 149047606 /nfs/dbraw/zinc/04/76/06/149047606.db2.gz YULCEVCKMLNRJC-RCCFBDPRSA-N 1 3 304.478 2.941 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(C)(C)CC ZINC000362630198 149329024 /nfs/dbraw/zinc/32/90/24/149329024.db2.gz GNZIKGYFLLCKBN-MRXNPFEDSA-N 1 3 311.514 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(C)(C)CC ZINC000362630198 149329027 /nfs/dbraw/zinc/32/90/27/149329027.db2.gz GNZIKGYFLLCKBN-MRXNPFEDSA-N 1 3 311.514 2.687 20 0 DFADHO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)s1 ZINC000362703050 149345897 /nfs/dbraw/zinc/34/58/97/149345897.db2.gz PEKNECFFUDHLNB-KDOFPFPSSA-N 1 3 321.534 2.823 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCOc3cc(OC)ccc32)C1 ZINC000371877200 150107694 /nfs/dbraw/zinc/10/76/94/150107694.db2.gz TXIXNKKAEKXWEY-RHSMWYFYSA-N 1 3 304.434 2.840 20 0 DFADHO Cn1ccnc1CC1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000372018756 150126215 /nfs/dbraw/zinc/12/62/15/150126215.db2.gz KYUGNEQXSIKKII-QGZVFWFLSA-N 1 3 304.482 2.549 20 0 DFADHO Cn1ccnc1CC1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000372018756 150126217 /nfs/dbraw/zinc/12/62/17/150126217.db2.gz KYUGNEQXSIKKII-QGZVFWFLSA-N 1 3 304.482 2.549 20 0 DFADHO Cn1ccnc1CC1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000372018756 150126219 /nfs/dbraw/zinc/12/62/19/150126219.db2.gz KYUGNEQXSIKKII-QGZVFWFLSA-N 1 3 304.482 2.549 20 0 DFADHO CN1CC[C@H](CNC(=O)C2([NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000372097820 150136706 /nfs/dbraw/zinc/13/67/06/150136706.db2.gz CYEBOEJKDQHZOK-HIFRSBDPSA-N 1 3 321.490 2.519 20 0 DFADHO CN1CC[C@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1cccs1 ZINC000372098239 150137165 /nfs/dbraw/zinc/13/71/65/150137165.db2.gz HXPZTXPAAJOXBR-RHSMWYFYSA-N 1 3 323.506 2.766 20 0 DFADHO CN(C)Cc1cccc(C(=O)N2CCCc3cc(C[NH3+])ccc32)c1 ZINC000372117822 150139582 /nfs/dbraw/zinc/13/95/82/150139582.db2.gz ZSGSQTHZLGUMSC-UHFFFAOYSA-N 1 3 323.440 2.800 20 0 DFADHO Cc1ccc(C)c(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000372364069 150168429 /nfs/dbraw/zinc/16/84/29/150168429.db2.gz DERZILQEPDIMPI-FQEVSTJZSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1ccc(C)c(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000372364069 150168431 /nfs/dbraw/zinc/16/84/31/150168431.db2.gz DERZILQEPDIMPI-FQEVSTJZSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1cccc(C2CC([NH2+]CCN3CCN(C)C(C)(C)C3)C2)c1 ZINC000374231897 150326499 /nfs/dbraw/zinc/32/64/99/150326499.db2.gz SIIBUCAHFIVIRI-UHFFFAOYSA-N 1 3 315.505 2.857 20 0 DFADHO Cc1ccc([O-])c(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000374282121 150334817 /nfs/dbraw/zinc/33/48/17/150334817.db2.gz FGKDSVXZZOKQDI-HNNXBMFYSA-N 1 3 315.461 2.792 20 0 DFADHO Cc1ccc([O-])c(C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000374282121 150334819 /nfs/dbraw/zinc/33/48/19/150334819.db2.gz FGKDSVXZZOKQDI-HNNXBMFYSA-N 1 3 315.461 2.792 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCCOc2cc(F)ccc21 ZINC000182113442 286198604 /nfs/dbraw/zinc/19/86/04/286198604.db2.gz VGPRTELPUVEIMF-DOTOQJQBSA-N 1 3 324.440 2.986 20 0 DFADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000351779657 286216744 /nfs/dbraw/zinc/21/67/44/286216744.db2.gz CFGOZUWLPKICST-BBWFWOEESA-N 1 3 309.498 2.582 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000351857456 286233121 /nfs/dbraw/zinc/23/31/21/286233121.db2.gz BMALPNVHIOQEDT-DGCLKSJQSA-N 1 3 320.824 2.602 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2cccc3ccccc32)C1 ZINC000351857425 286233276 /nfs/dbraw/zinc/23/32/76/286233276.db2.gz BEWOVQZKKAOYKV-HOCLYGCPSA-N 1 3 311.429 2.838 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cnn(CC(F)F)c1 ZINC000352131946 286300436 /nfs/dbraw/zinc/30/04/36/286300436.db2.gz WUEWHLLVKQDISU-CQSZACIVSA-N 1 3 314.424 2.892 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cnn(CC(F)F)c1 ZINC000352131946 286300437 /nfs/dbraw/zinc/30/04/37/286300437.db2.gz WUEWHLLVKQDISU-CQSZACIVSA-N 1 3 314.424 2.892 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@@H](C)C1 ZINC000246273093 158082984 /nfs/dbraw/zinc/08/29/84/158082984.db2.gz SAIJACLOQKRIPG-SUMWQHHRSA-N 1 3 322.424 2.774 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@@H](C)C1 ZINC000246273093 158082990 /nfs/dbraw/zinc/08/29/90/158082990.db2.gz SAIJACLOQKRIPG-SUMWQHHRSA-N 1 3 322.424 2.774 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCOc3ccc(OC)cc32)C1 ZINC000246882368 158103942 /nfs/dbraw/zinc/10/39/42/158103942.db2.gz DZPXPUAGGRHCAQ-YOEHRIQHSA-N 1 3 304.434 2.840 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000246917098 158105652 /nfs/dbraw/zinc/10/56/52/158105652.db2.gz FYIPUUHHMYPZEL-CAOSSQGBSA-N 1 3 306.450 2.781 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000246917098 158105654 /nfs/dbraw/zinc/10/56/54/158105654.db2.gz FYIPUUHHMYPZEL-CAOSSQGBSA-N 1 3 306.450 2.781 20 0 DFADHO Cc1ccc([C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246994113 158112633 /nfs/dbraw/zinc/11/26/33/158112633.db2.gz WOQIXICFMISRIV-DFQSSKMNSA-N 1 3 314.473 2.977 20 0 DFADHO Cc1ccc([C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246994113 158112635 /nfs/dbraw/zinc/11/26/35/158112635.db2.gz WOQIXICFMISRIV-DFQSSKMNSA-N 1 3 314.473 2.977 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000247039125 158115699 /nfs/dbraw/zinc/11/56/99/158115699.db2.gz RBNYWZUHCKAIMQ-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000247039125 158115701 /nfs/dbraw/zinc/11/57/01/158115701.db2.gz RBNYWZUHCKAIMQ-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000247039125 158115702 /nfs/dbraw/zinc/11/57/02/158115702.db2.gz RBNYWZUHCKAIMQ-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000247039125 158115705 /nfs/dbraw/zinc/11/57/05/158115705.db2.gz RBNYWZUHCKAIMQ-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)[C@H]1CCCO1 ZINC000247068069 158117970 /nfs/dbraw/zinc/11/79/70/158117970.db2.gz ODWZVIGGCGQRSF-HDMKZQKVSA-N 1 3 306.450 2.845 20 0 DFADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000247224949 158123296 /nfs/dbraw/zinc/12/32/96/158123296.db2.gz XXEUJFPPZGLXAC-HZPDHXFCSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)CCN1C ZINC000248198531 158165114 /nfs/dbraw/zinc/16/51/14/158165114.db2.gz XVZXXVMGTVPMBD-BHIYHBOVSA-N 1 3 301.478 2.723 20 0 DFADHO C[C@H](CO)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248395299 158171720 /nfs/dbraw/zinc/17/17/20/158171720.db2.gz GGAVIIJAEMBEMR-GDAAHCPNSA-N 1 3 302.462 2.505 20 0 DFADHO C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248395300 158172228 /nfs/dbraw/zinc/17/22/28/158172228.db2.gz GGAVIIJAEMBEMR-JCHJZTRSSA-N 1 3 302.462 2.505 20 0 DFADHO c1cn(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000248410564 158173981 /nfs/dbraw/zinc/17/39/81/158173981.db2.gz YDMPTQOCRNZBNN-XUVXKRRUSA-N 1 3 324.472 2.773 20 0 DFADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000248627821 158191343 /nfs/dbraw/zinc/19/13/43/158191343.db2.gz FSNRUUGKPDLDJO-WZGPROSRSA-N 1 3 301.478 2.894 20 0 DFADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000248627821 158191345 /nfs/dbraw/zinc/19/13/45/158191345.db2.gz FSNRUUGKPDLDJO-WZGPROSRSA-N 1 3 301.478 2.894 20 0 DFADHO C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248652810 158194622 /nfs/dbraw/zinc/19/46/22/158194622.db2.gz YKPORBWMBCVVTD-QXRCTJGESA-N 1 3 314.473 2.814 20 0 DFADHO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248742930 158198608 /nfs/dbraw/zinc/19/86/08/158198608.db2.gz ALQSMHUSKAKZTP-XWIXUBGPSA-N 1 3 306.425 2.853 20 0 DFADHO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248742930 158198612 /nfs/dbraw/zinc/19/86/12/158198612.db2.gz ALQSMHUSKAKZTP-XWIXUBGPSA-N 1 3 306.425 2.853 20 0 DFADHO C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000248827392 158202890 /nfs/dbraw/zinc/20/28/90/158202890.db2.gz DGNUVCQUAIFKPL-BHIYHBOVSA-N 1 3 302.462 2.566 20 0 DFADHO CCCn1nc(C)c(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1C ZINC000357059408 158359158 /nfs/dbraw/zinc/35/91/58/158359158.db2.gz WZRXEHVQACDBJO-QGZVFWFLSA-N 1 3 304.482 2.731 20 0 DFADHO CCC(CC)(CNC(=O)[C@H](N)C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000430734303 296807474 /nfs/dbraw/zinc/80/74/74/296807474.db2.gz LVLGCCLBEMSLRK-NVXWUHKLSA-N 1 3 319.493 2.996 20 0 DFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC(C[NH2+]C)CC1 ZINC000430926187 296812478 /nfs/dbraw/zinc/81/24/78/296812478.db2.gz FWYVYMCZPUPDMQ-SFHVURJKSA-N 1 3 317.477 2.528 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430958546 296815186 /nfs/dbraw/zinc/81/51/86/296815186.db2.gz SQVQPTSQBMSGEQ-UHFFFAOYSA-N 1 3 310.445 2.756 20 0 DFADHO CN1CCN(CC[NH2+]Cc2cnc(C(C)(C)C)s2)CC1(C)C ZINC000441363747 297180834 /nfs/dbraw/zinc/18/08/34/297180834.db2.gz XGMQIEMXOJOZCK-UHFFFAOYSA-N 1 3 324.538 2.556 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000129005959 196011758 /nfs/dbraw/zinc/01/17/58/196011758.db2.gz GUVLYRJWRXDJIL-RKVPGOIHSA-N 1 3 306.450 2.782 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](C)Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000129005959 196011760 /nfs/dbraw/zinc/01/17/60/196011760.db2.gz GUVLYRJWRXDJIL-RKVPGOIHSA-N 1 3 306.450 2.782 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2ccccc2OC)[C@H](C)C1 ZINC000129569485 196058388 /nfs/dbraw/zinc/05/83/88/196058388.db2.gz LPHKUJVRBUQDGI-OAGGEKHMSA-N 1 3 306.450 2.782 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](C)Oc2ccccc2OC)[C@H](C)C1 ZINC000129569485 196058390 /nfs/dbraw/zinc/05/83/90/196058390.db2.gz LPHKUJVRBUQDGI-OAGGEKHMSA-N 1 3 306.450 2.782 20 0 DFADHO CCN(CC)[C@@H](C[NH2+][C@H]1CCN(C)C[C@@H]1C)c1ccccc1 ZINC000134021538 196354052 /nfs/dbraw/zinc/35/40/52/196354052.db2.gz ZSASUATUWNNQSX-WDSOQIARSA-N 1 3 303.494 2.999 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000289798000 287321451 /nfs/dbraw/zinc/32/14/51/287321451.db2.gz YYXGQAPDGFNPOZ-FGTMMUONSA-N 1 3 317.477 2.574 20 0 DFADHO CCCC[N@H+](C)CC1CCN(Cc2cnc3n2CCC3)CC1 ZINC000667500979 543619410 /nfs/dbraw/zinc/61/94/10/543619410.db2.gz HZUKEBVAYXERFU-UHFFFAOYSA-N 1 3 304.482 2.773 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(Cc2cnc3n2CCC3)CC1 ZINC000667500979 543619413 /nfs/dbraw/zinc/61/94/13/543619413.db2.gz HZUKEBVAYXERFU-UHFFFAOYSA-N 1 3 304.482 2.773 20 0 DFADHO c1ccc(CC[N@@H+]2CC[C@H](CN[C@@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000667835059 543688904 /nfs/dbraw/zinc/68/89/04/543688904.db2.gz HKRMOLYWKIMIKW-YZGWKJHDSA-N 1 3 314.473 2.708 20 0 DFADHO c1ccc(CC[N@H+]2CC[C@H](CN[C@@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000667835059 543688905 /nfs/dbraw/zinc/68/89/05/543688905.db2.gz HKRMOLYWKIMIKW-YZGWKJHDSA-N 1 3 314.473 2.708 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)C1 ZINC000668490461 543814179 /nfs/dbraw/zinc/81/41/79/543814179.db2.gz WMCALOZCGPVJKA-SFHVURJKSA-N 1 3 300.446 2.676 20 0 DFADHO CC[C@@H](COCC1CC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668458998 543808965 /nfs/dbraw/zinc/80/89/65/543808965.db2.gz OBZQFOGGJOSICJ-INIZCTEOSA-N 1 3 303.450 2.845 20 0 DFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(N)CCC2)cc1 ZINC000296169089 225614733 /nfs/dbraw/zinc/61/47/33/225614733.db2.gz XCHWXPLTLIILAL-AWEZNQCLSA-N 1 3 301.434 2.881 20 0 DFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(N)CCC2)cc1 ZINC000296169089 225614738 /nfs/dbraw/zinc/61/47/38/225614738.db2.gz XCHWXPLTLIILAL-AWEZNQCLSA-N 1 3 301.434 2.881 20 0 DFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC2(COC2)C1 ZINC000668720204 543853578 /nfs/dbraw/zinc/85/35/78/543853578.db2.gz NNCKGQIXWBEJKM-UHFFFAOYSA-N 1 3 302.462 2.867 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC2(COC2)C1 ZINC000668720204 543853580 /nfs/dbraw/zinc/85/35/80/543853580.db2.gz NNCKGQIXWBEJKM-UHFFFAOYSA-N 1 3 302.462 2.867 20 0 DFADHO C[C@H](CCCO)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000296589195 226023525 /nfs/dbraw/zinc/02/35/25/226023525.db2.gz UWGOHVGTNDQFDR-CVEARBPZSA-N 1 3 308.466 2.686 20 0 DFADHO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000669618795 543976082 /nfs/dbraw/zinc/97/60/82/543976082.db2.gz PMTDOSAQLWKOJF-VQIMIIECSA-N 1 3 315.505 2.926 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000291103451 222139334 /nfs/dbraw/zinc/13/93/34/222139334.db2.gz JPLQNVSGBBOWPD-RBUKOAKNSA-N 1 3 301.478 2.500 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000291103451 222139337 /nfs/dbraw/zinc/13/93/37/222139337.db2.gz JPLQNVSGBBOWPD-RBUKOAKNSA-N 1 3 301.478 2.500 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCN2CCCc3ccccc32)[C@@H](C)C1 ZINC000675783278 544336283 /nfs/dbraw/zinc/33/62/83/544336283.db2.gz FPQXJAIKCJIYSW-FUHWJXTLSA-N 1 3 301.478 2.759 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCN2CCCc3ccccc32)[C@@H](C)C1 ZINC000675783278 544336284 /nfs/dbraw/zinc/33/62/84/544336284.db2.gz FPQXJAIKCJIYSW-FUHWJXTLSA-N 1 3 301.478 2.759 20 0 DFADHO COc1ccc(COCC[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000675897699 544342903 /nfs/dbraw/zinc/34/29/03/544342903.db2.gz RQJKSTXUSYOULQ-HKUYNNGSSA-N 1 3 318.461 2.628 20 0 DFADHO COc1ccc(COCC[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000675897699 544342904 /nfs/dbraw/zinc/34/29/04/544342904.db2.gz RQJKSTXUSYOULQ-HKUYNNGSSA-N 1 3 318.461 2.628 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1C(C)(C)C1(C)C ZINC000676560262 544385868 /nfs/dbraw/zinc/38/58/68/544385868.db2.gz KYOCIHJYJAEURP-LSDHHAIUSA-N 1 3 307.526 2.815 20 0 DFADHO CC1CC[NH+](C2CCC(NCc3ccc(CO)o3)CC2)CC1 ZINC000676906715 544414013 /nfs/dbraw/zinc/41/40/13/544414013.db2.gz KJGVPRHUXVBALQ-UHFFFAOYSA-N 1 3 306.450 2.905 20 0 DFADHO COc1ccc2[nH]cc(CCN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000677240793 544457212 /nfs/dbraw/zinc/45/72/12/544457212.db2.gz KXWINPCEGKKETG-HZPDHXFCSA-N 1 3 313.445 2.935 20 0 DFADHO COc1ccc2[nH]cc(CCN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000677240793 544457216 /nfs/dbraw/zinc/45/72/16/544457216.db2.gz KXWINPCEGKKETG-HZPDHXFCSA-N 1 3 313.445 2.935 20 0 DFADHO CN1CCC[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749540 544535854 /nfs/dbraw/zinc/53/58/54/544535854.db2.gz MKQQWBVSTOPETB-MOPGFXCFSA-N 1 3 315.505 2.971 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000678340894 544654781 /nfs/dbraw/zinc/65/47/81/544654781.db2.gz SDHFYAYQJXKSGW-JZXOWHBKSA-N 1 3 300.446 2.969 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000678340894 544654786 /nfs/dbraw/zinc/65/47/86/544654786.db2.gz SDHFYAYQJXKSGW-JZXOWHBKSA-N 1 3 300.446 2.969 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000678340894 544654789 /nfs/dbraw/zinc/65/47/89/544654789.db2.gz SDHFYAYQJXKSGW-JZXOWHBKSA-N 1 3 300.446 2.969 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000678340894 544654792 /nfs/dbraw/zinc/65/47/92/544654792.db2.gz SDHFYAYQJXKSGW-JZXOWHBKSA-N 1 3 300.446 2.969 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+](C)CCC2CCOCC2)cc1 ZINC000678272867 544639823 /nfs/dbraw/zinc/63/98/23/544639823.db2.gz CWXYCEPHDHYQMO-UHFFFAOYSA-N 1 3 320.477 2.876 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1 ZINC000678272867 544639825 /nfs/dbraw/zinc/63/98/25/544639825.db2.gz CWXYCEPHDHYQMO-UHFFFAOYSA-N 1 3 320.477 2.876 20 0 DFADHO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000678733788 544713932 /nfs/dbraw/zinc/71/39/32/544713932.db2.gz QNSXPOYRQPIXRI-FUHWJXTLSA-N 1 3 306.450 2.532 20 0 DFADHO COCC1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000679074669 544780179 /nfs/dbraw/zinc/78/01/79/544780179.db2.gz WIQFXGWDHOFNFC-AYHJJNSGSA-N 1 3 300.446 2.951 20 0 DFADHO COCC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000679074669 544780182 /nfs/dbraw/zinc/78/01/82/544780182.db2.gz WIQFXGWDHOFNFC-AYHJJNSGSA-N 1 3 300.446 2.951 20 0 DFADHO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000679074968 544780201 /nfs/dbraw/zinc/78/02/01/544780201.db2.gz FVYJFJJNGFSMLA-TXPKVOOTSA-N 1 3 319.493 2.618 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000679375400 544844401 /nfs/dbraw/zinc/84/44/01/544844401.db2.gz ZOOILHVOWDOXPF-ZWKOTPCHSA-N 1 3 302.462 2.922 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[N@H+](C)C(C)C)c1ccsc1 ZINC000067574629 425911400 /nfs/dbraw/zinc/91/14/00/425911400.db2.gz XZCZYHYDAXLNTI-HNNXBMFYSA-N 1 3 311.495 2.587 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccsc1 ZINC000067574629 425911401 /nfs/dbraw/zinc/91/14/01/425911401.db2.gz XZCZYHYDAXLNTI-HNNXBMFYSA-N 1 3 311.495 2.587 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000155612525 425923383 /nfs/dbraw/zinc/92/33/83/425923383.db2.gz NHJOKAKHKZDMOP-CABCVRRESA-N 1 3 323.456 2.511 20 0 DFADHO CCOc1ccccc1[C@H](C)[NH2+]C[C@@H](C)N1CCN(CC)CC1 ZINC000155718238 425924894 /nfs/dbraw/zinc/92/48/94/425924894.db2.gz RYXOCTLRWPDWKD-SJORKVTESA-N 1 3 319.493 2.762 20 0 DFADHO CC[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC)N(C)C ZINC000124672934 425932578 /nfs/dbraw/zinc/93/25/78/425932578.db2.gz RYSQQWZDVDBHSP-IRXDYDNUSA-N 1 3 305.466 2.526 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000156008097 425932626 /nfs/dbraw/zinc/93/26/26/425932626.db2.gz HJJNSZFDCCTFNA-KRWDZBQOSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000156008097 425932628 /nfs/dbraw/zinc/93/26/28/425932628.db2.gz HJJNSZFDCCTFNA-KRWDZBQOSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)N1CCN(CCC[N@H+](C)C[C@H](C)c2nccs2)CC1 ZINC000192795094 268049995 /nfs/dbraw/zinc/04/99/95/268049995.db2.gz OJARYLRJJKSYIC-INIZCTEOSA-N 1 3 324.538 2.595 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+](C)C[C@H](C)c2nccs2)CC1 ZINC000192795094 268049997 /nfs/dbraw/zinc/04/99/97/268049997.db2.gz OJARYLRJJKSYIC-INIZCTEOSA-N 1 3 324.538 2.595 20 0 DFADHO c1coc(-c2ncc(C[NH2+]C[C@H]3CCN(C4CC4)C3)s2)c1 ZINC000193001691 268056220 /nfs/dbraw/zinc/05/62/20/268056220.db2.gz NSBYCUKDXIIVJJ-GFCCVEGCSA-N 1 3 303.431 2.977 20 0 DFADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000193144934 268060252 /nfs/dbraw/zinc/06/02/52/268060252.db2.gz IVGMUVXZTGDSNF-ZBFHGGJFSA-N 1 3 305.466 2.936 20 0 DFADHO CC(C)N(C)CCC[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000287269727 268276557 /nfs/dbraw/zinc/27/65/57/268276557.db2.gz AVUJACOKHRACAW-HNNXBMFYSA-N 1 3 301.438 2.648 20 0 DFADHO Brc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000311206743 268337298 /nfs/dbraw/zinc/33/72/98/268337298.db2.gz JPNKHAYBWSDKBL-OKILXGFUSA-N 1 3 309.251 2.881 20 0 DFADHO CCOC(=O)N1CCC(N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000316478623 268344689 /nfs/dbraw/zinc/34/46/89/268344689.db2.gz ZARPMXUVIYIQJQ-HOCLYGCPSA-N 1 3 311.470 2.508 20 0 DFADHO CCc1noc(C2CCC([NH2+][C@@H]3CCCC[C@H]3CN)CC2)n1 ZINC000333145259 268378101 /nfs/dbraw/zinc/37/81/01/268378101.db2.gz LRJLYJHDIDQQFX-OOJKYFRXSA-N 1 3 306.454 2.765 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000124801779 425938685 /nfs/dbraw/zinc/93/86/85/425938685.db2.gz FCGIZVRZIJTKET-LJQANCHMSA-N 1 3 319.468 2.818 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000124801779 425938687 /nfs/dbraw/zinc/93/86/87/425938687.db2.gz FCGIZVRZIJTKET-LJQANCHMSA-N 1 3 319.468 2.818 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000124801779 425938689 /nfs/dbraw/zinc/93/86/89/425938689.db2.gz FCGIZVRZIJTKET-LJQANCHMSA-N 1 3 319.468 2.818 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000124801779 425938690 /nfs/dbraw/zinc/93/86/90/425938690.db2.gz FCGIZVRZIJTKET-LJQANCHMSA-N 1 3 319.468 2.818 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000103210895 425938828 /nfs/dbraw/zinc/93/88/28/425938828.db2.gz SMBPEQBXOSCWPB-UHFFFAOYSA-N 1 3 319.493 2.550 20 0 DFADHO CC1CC[NH+](CCCCN[C@H]2CCCc3c2cnn3C)CC1 ZINC000158206711 425941068 /nfs/dbraw/zinc/94/10/68/425941068.db2.gz QRZCMGQWPQAXHP-KRWDZBQOSA-N 1 3 304.482 2.899 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000125095939 425953539 /nfs/dbraw/zinc/95/35/39/425953539.db2.gz QSQMYZLTHZCUTA-BASYENTBSA-N 1 3 306.450 2.781 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000125095939 425953540 /nfs/dbraw/zinc/95/35/40/425953540.db2.gz QSQMYZLTHZCUTA-BASYENTBSA-N 1 3 306.450 2.781 20 0 DFADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)Nc1ccccc1Cl ZINC000070149707 425968816 /nfs/dbraw/zinc/96/88/16/425968816.db2.gz IDLWCLNHZQLDQP-CYBMUJFWSA-N 1 3 309.841 2.872 20 0 DFADHO CN1CCC(C[NH2+][C@@H]2CCC23CCC3)(N2CCCCC2)CC1 ZINC000337392385 268486049 /nfs/dbraw/zinc/48/60/49/268486049.db2.gz AZYGHYGYACWWGF-QGZVFWFLSA-N 1 3 305.510 2.859 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000073327411 426024998 /nfs/dbraw/zinc/02/49/98/426024998.db2.gz IPWXLIXTXKZLFK-SFHVURJKSA-N 1 3 321.509 2.584 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C(C)C ZINC000126715826 426033508 /nfs/dbraw/zinc/03/35/08/426033508.db2.gz QEQLRZHMNUMXCL-IBGZPJMESA-N 1 3 303.494 2.958 20 0 DFADHO CC(C)[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1CC1 ZINC000126743284 426034973 /nfs/dbraw/zinc/03/49/73/426034973.db2.gz BLVWDROCYYUZGL-HXUWFJFHSA-N 1 3 315.505 2.958 20 0 DFADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2cccc(F)c2)CC1 ZINC000111240573 426041428 /nfs/dbraw/zinc/04/14/28/426041428.db2.gz FKGXIPWSTMNWAV-UHFFFAOYSA-N 1 3 321.440 2.961 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000126176168 426009186 /nfs/dbraw/zinc/00/91/86/426009186.db2.gz QOUOZBUCFVLJKB-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000126176168 426009187 /nfs/dbraw/zinc/00/91/87/426009187.db2.gz QOUOZBUCFVLJKB-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)NCC1CCCCC1 ZINC000075859934 426087931 /nfs/dbraw/zinc/08/79/31/426087931.db2.gz BBFHKQTUGIBYHC-SFHVURJKSA-N 1 3 323.525 2.879 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)NCC1CCCCC1 ZINC000075859934 426087933 /nfs/dbraw/zinc/08/79/33/426087933.db2.gz BBFHKQTUGIBYHC-SFHVURJKSA-N 1 3 323.525 2.879 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC000112918566 426097790 /nfs/dbraw/zinc/09/77/90/426097790.db2.gz VGGZMDJXUHMHKD-SFHVURJKSA-N 1 3 323.525 2.831 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC000112918566 426097794 /nfs/dbraw/zinc/09/77/94/426097794.db2.gz VGGZMDJXUHMHKD-SFHVURJKSA-N 1 3 323.525 2.831 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(Cl)c1 ZINC000128082663 426101352 /nfs/dbraw/zinc/10/13/52/426101352.db2.gz OZHCAHPXFRGHRW-HIFRSBDPSA-N 1 3 323.868 2.578 20 0 DFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](N)C(C)(C)C)c1 ZINC000164356069 426113021 /nfs/dbraw/zinc/11/30/21/426113021.db2.gz PPLITVOEWHRTCT-MRXNPFEDSA-N 1 3 305.466 2.516 20 0 DFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](N)C(C)(C)C)c1 ZINC000164356069 426113025 /nfs/dbraw/zinc/11/30/25/426113025.db2.gz PPLITVOEWHRTCT-MRXNPFEDSA-N 1 3 305.466 2.516 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000128343609 426113532 /nfs/dbraw/zinc/11/35/32/426113532.db2.gz ZADWXJSPWVYYHW-VQIMIIECSA-N 1 3 301.478 2.537 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OC)cc1F ZINC000165941019 426124301 /nfs/dbraw/zinc/12/43/01/426124301.db2.gz QWXZGJSOBNCKMJ-ZFWWWQNUSA-N 1 3 312.429 2.842 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000127590012 426074791 /nfs/dbraw/zinc/07/47/91/426074791.db2.gz ZWUDUWWEIZETOE-QGZVFWFLSA-N 1 3 321.484 2.937 20 0 DFADHO C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000132366643 426168114 /nfs/dbraw/zinc/16/81/14/426168114.db2.gz ZDVVPEJALHRUHY-MHORFTMASA-N 1 3 321.509 2.725 20 0 DFADHO CCC[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(C)C ZINC000133864226 426183505 /nfs/dbraw/zinc/18/35/05/426183505.db2.gz OWOJNKIPFRDCRE-ZWKOTPCHSA-N 1 3 323.525 2.831 20 0 DFADHO CN1CC[NH+]([C@H]2CCCCN(C/C=C/c3ccccc3)C2)CC1 ZINC000136067550 426234828 /nfs/dbraw/zinc/23/48/28/426234828.db2.gz KLMSETJHJFVNKR-OSICKASQSA-N 1 3 313.489 2.802 20 0 DFADHO C[NH+](C)CCC1CCN(CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000118868019 426249727 /nfs/dbraw/zinc/24/97/27/426249727.db2.gz QOOJICHOYFAAEB-UHFFFAOYSA-N 1 3 321.509 2.584 20 0 DFADHO Cc1cnn(CCCCCN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150845082 426263870 /nfs/dbraw/zinc/26/38/70/426263870.db2.gz PCDVQRFKVGGSCB-GOSISDBHSA-N 1 3 304.482 2.780 20 0 DFADHO Cc1cnn(CCCCC[N@@H+]2CC[C@H](CN3CCCC3)C2)c1 ZINC000150845082 426263874 /nfs/dbraw/zinc/26/38/74/426263874.db2.gz PCDVQRFKVGGSCB-GOSISDBHSA-N 1 3 304.482 2.780 20 0 DFADHO Cc1cnn(CCCCC[N@H+]2CC[C@H](CN3CCCC3)C2)c1 ZINC000150845082 426263877 /nfs/dbraw/zinc/26/38/77/426263877.db2.gz PCDVQRFKVGGSCB-GOSISDBHSA-N 1 3 304.482 2.780 20 0 DFADHO CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(OC)c1 ZINC000150955628 426269189 /nfs/dbraw/zinc/26/91/89/426269189.db2.gz JNJRJKUJIHALNA-IBGZPJMESA-N 1 3 319.493 2.762 20 0 DFADHO Cc1ccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1C ZINC000150969299 426270027 /nfs/dbraw/zinc/27/00/27/426270027.db2.gz UJRGMKYOCYUKPO-QGZVFWFLSA-N 1 3 303.494 2.980 20 0 DFADHO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150967622 426270792 /nfs/dbraw/zinc/27/07/92/426270792.db2.gz HVXCOWBRGHOGJC-HNAYVOBHSA-N 1 3 301.478 2.536 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000119480283 426291141 /nfs/dbraw/zinc/29/11/41/426291141.db2.gz BMLSHGRBQOFJJN-JZXOWHBKSA-N 1 3 317.477 2.561 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000119480283 426291143 /nfs/dbraw/zinc/29/11/43/426291143.db2.gz BMLSHGRBQOFJJN-JZXOWHBKSA-N 1 3 317.477 2.561 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(C)cc3)C2)[C@H](C)C1 ZINC000119677353 426301539 /nfs/dbraw/zinc/30/15/39/426301539.db2.gz PMFCNRKJFFFFID-LMMKCTJWSA-N 1 3 301.478 2.894 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(C)cc3)C2)[C@H](C)C1 ZINC000119677353 426301542 /nfs/dbraw/zinc/30/15/42/426301542.db2.gz PMFCNRKJFFFFID-LMMKCTJWSA-N 1 3 301.478 2.894 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1nc2c(cccc2F)n1C ZINC000089674468 426301687 /nfs/dbraw/zinc/30/16/87/426301687.db2.gz ASDIOSLNOCNBNM-UMVBOHGHSA-N 1 3 318.440 2.573 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1nc2c(cccc2F)n1C ZINC000089674468 426301691 /nfs/dbraw/zinc/30/16/91/426301691.db2.gz ASDIOSLNOCNBNM-UMVBOHGHSA-N 1 3 318.440 2.573 20 0 DFADHO CCc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCN(CC)CC2)o1 ZINC000121401567 426340241 /nfs/dbraw/zinc/34/02/41/426340241.db2.gz HLQAPAYXDCUCNW-JKSUJKDBSA-N 1 3 307.482 2.766 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000175159264 426283803 /nfs/dbraw/zinc/28/38/03/426283803.db2.gz DGLOUKJZKXPCBF-DLBZAZTESA-N 1 3 318.465 2.743 20 0 DFADHO CC[NH+](CC)CCCC1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000122131537 426360319 /nfs/dbraw/zinc/36/03/19/426360319.db2.gz XFKGZLZIDWKMHF-AWEZNQCLSA-N 1 3 310.404 2.744 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000122779826 426393555 /nfs/dbraw/zinc/39/35/55/426393555.db2.gz WJGGCZDBAYFLFF-HLIPFELVSA-N 1 3 315.505 2.753 20 0 DFADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H](C)C2)N2CCCC2)o1 ZINC000154015886 426419389 /nfs/dbraw/zinc/41/93/89/426419389.db2.gz PXRHZTPUEKLCHQ-OIISXLGYSA-N 1 3 305.466 2.797 20 0 DFADHO CCC[C@@H](C)NC(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123271795 426423865 /nfs/dbraw/zinc/42/38/65/426423865.db2.gz WHIGKGUGSGUZNB-CVEARBPZSA-N 1 3 311.514 2.734 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(C)cc2C)CC1 ZINC000154298974 426434349 /nfs/dbraw/zinc/43/43/49/426434349.db2.gz ACDDHCXTEXFWPM-SFHVURJKSA-N 1 3 303.494 2.982 20 0 DFADHO CCC(CC)NC(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123478162 426436291 /nfs/dbraw/zinc/43/62/91/426436291.db2.gz ZWJFQRIOQQKURS-OAHLLOKOSA-N 1 3 311.514 2.734 20 0 DFADHO CC(C)C[C@H]1CCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000123539128 426439677 /nfs/dbraw/zinc/43/96/77/426439677.db2.gz QAJAVTFLMJXVLM-GOSISDBHSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@]1(CN(CCCO)[C@@H]2CCCc3ccccc32)CC[NH2+]C1 ZINC000340700969 269001093 /nfs/dbraw/zinc/00/10/93/269001093.db2.gz KDRYUINXRNNZPK-MOPGFXCFSA-N 1 3 302.462 2.748 20 0 DFADHO CCN(Cc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc1)C1CC1 ZINC000341329927 269071207 /nfs/dbraw/zinc/07/12/07/269071207.db2.gz UNVMCUVSXHDKQA-HNNXBMFYSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)CN1CCC[C@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000341358839 269071886 /nfs/dbraw/zinc/07/18/86/269071886.db2.gz SBOAKAWCZQHHGG-OAHLLOKOSA-N 1 3 317.468 2.674 20 0 DFADHO C[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000101658289 426485812 /nfs/dbraw/zinc/48/58/12/426485812.db2.gz BPZZEQAHCIYSDO-OAGGEKHMSA-N 1 3 309.498 2.628 20 0 DFADHO C[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000101658289 426485813 /nfs/dbraw/zinc/48/58/13/426485813.db2.gz BPZZEQAHCIYSDO-OAGGEKHMSA-N 1 3 309.498 2.628 20 0 DFADHO CC1(C)OCc2cc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)ccc2O1 ZINC000186364405 426513359 /nfs/dbraw/zinc/51/33/59/426513359.db2.gz DIJRRAQWUDBALD-HNNXBMFYSA-N 1 3 316.445 2.906 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCC(C)CC2)C12CCOCC2 ZINC000186214494 426494640 /nfs/dbraw/zinc/49/46/40/426494640.db2.gz ZLGWKTCMXSJZTN-QZTJIDSGSA-N 1 3 324.509 2.672 20 0 DFADHO CCO[C@@H]1C[C@@H](NCCC[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000186214494 426494641 /nfs/dbraw/zinc/49/46/41/426494641.db2.gz ZLGWKTCMXSJZTN-QZTJIDSGSA-N 1 3 324.509 2.672 20 0 DFADHO CC[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C(C)(C)C ZINC000289087826 426580494 /nfs/dbraw/zinc/58/04/94/426580494.db2.gz BIFLHSJTXBIUPG-KRWDZBQOSA-N 1 3 319.493 2.892 20 0 DFADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000178256110 426594050 /nfs/dbraw/zinc/59/40/50/426594050.db2.gz NJZAHRNGLFGICT-FPTDNZKUSA-N 1 3 320.502 2.949 20 0 DFADHO Cc1cc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)ccc1F ZINC000289176571 426598570 /nfs/dbraw/zinc/59/85/70/426598570.db2.gz ADIJOTJXHMAYCZ-UHFFFAOYSA-N 1 3 319.468 2.594 20 0 DFADHO CC(C)c1nc([C@@H](C)N[C@@H](C)CC[NH+]2CCN(C)CC2)cs1 ZINC000186583091 426557069 /nfs/dbraw/zinc/55/70/69/426557069.db2.gz LUCDOTSUPAFRKY-LSDHHAIUSA-N 1 3 324.538 2.943 20 0 DFADHO Cc1cc(C)n(CC[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000280387815 426563959 /nfs/dbraw/zinc/56/39/59/426563959.db2.gz KDRJQZIDHVWDHR-BGYRXZFFSA-N 1 3 324.472 2.564 20 0 DFADHO Cc1cc(C)n(CC[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000280387815 426563964 /nfs/dbraw/zinc/56/39/64/426563964.db2.gz KDRJQZIDHVWDHR-BGYRXZFFSA-N 1 3 324.472 2.564 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc2occc2c1 ZINC000289457899 426662716 /nfs/dbraw/zinc/66/27/16/426662716.db2.gz OAUASEFSHBAWJJ-UHFFFAOYSA-N 1 3 315.461 2.891 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc2occc2c1 ZINC000289457899 426662721 /nfs/dbraw/zinc/66/27/21/426662721.db2.gz OAUASEFSHBAWJJ-UHFFFAOYSA-N 1 3 315.461 2.891 20 0 DFADHO CC[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N(CC)CC ZINC000265647123 426669574 /nfs/dbraw/zinc/66/95/74/426669574.db2.gz XHXQZFVPXHXJSJ-KRWDZBQOSA-N 1 3 321.465 2.686 20 0 DFADHO CC[C@]1(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)OCCc2ccccc21 ZINC000289614776 426670702 /nfs/dbraw/zinc/67/07/02/426670702.db2.gz DGUOEJCTIULMEA-SZVBFZGTSA-N 1 3 302.462 2.937 20 0 DFADHO CC[C@]1(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)OCCc2ccccc21 ZINC000289614776 426670706 /nfs/dbraw/zinc/67/07/06/426670706.db2.gz DGUOEJCTIULMEA-SZVBFZGTSA-N 1 3 302.462 2.937 20 0 DFADHO CC(C)CC[NH+]1CCC(CNC(=O)C2(N)CCCCC2)CC1 ZINC000236712431 426678795 /nfs/dbraw/zinc/67/87/95/426678795.db2.gz IVZDTZNASGGNPB-UHFFFAOYSA-N 1 3 309.498 2.522 20 0 DFADHO CC(C)[C@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000236739695 426682239 /nfs/dbraw/zinc/68/22/39/426682239.db2.gz SLJVVCJXCFHJAM-WBVHZDCISA-N 1 3 317.477 2.750 20 0 DFADHO CC(C)C[C@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000236747862 426682317 /nfs/dbraw/zinc/68/23/17/426682317.db2.gz JTWJMMXRAZURIF-KRWDZBQOSA-N 1 3 303.450 2.984 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc(OCCN(C)C)c1 ZINC000187885070 426703742 /nfs/dbraw/zinc/70/37/42/426703742.db2.gz PAXTXTXBISOWJQ-JLSDUUJJSA-N 1 3 306.450 2.581 20 0 DFADHO CN(C[C@@H](O)C(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290192395 426713760 /nfs/dbraw/zinc/71/37/60/426713760.db2.gz GASRYCWVAYZLMQ-ZWKOTPCHSA-N 1 3 304.478 2.847 20 0 DFADHO CN(C[C@@H](O)C(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290192395 426713764 /nfs/dbraw/zinc/71/37/64/426713764.db2.gz GASRYCWVAYZLMQ-ZWKOTPCHSA-N 1 3 304.478 2.847 20 0 DFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCCOC2)C3)cc1 ZINC000245731103 426768418 /nfs/dbraw/zinc/76/84/18/426768418.db2.gz QEIXJLQUGJNOCV-MKXGPGLRSA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCCOC2)C3)cc1 ZINC000245731103 426768421 /nfs/dbraw/zinc/76/84/21/426768421.db2.gz QEIXJLQUGJNOCV-MKXGPGLRSA-N 1 3 300.446 2.951 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000281815791 426769650 /nfs/dbraw/zinc/76/96/50/426769650.db2.gz ZFZYSMBZQBCTAN-WMLDXEAASA-N 1 3 324.440 2.768 20 0 DFADHO c1cnn(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245766625 426770829 /nfs/dbraw/zinc/77/08/29/426770829.db2.gz WMGSKQVVUIEXJX-REPLKXPHSA-N 1 3 310.445 2.668 20 0 DFADHO c1cnn(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245766625 426770832 /nfs/dbraw/zinc/77/08/32/426770832.db2.gz WMGSKQVVUIEXJX-REPLKXPHSA-N 1 3 310.445 2.668 20 0 DFADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc(F)c1F ZINC000245901703 426780968 /nfs/dbraw/zinc/78/09/68/426780968.db2.gz NYZZOWZQTWQYMX-KBPBESRZSA-N 1 3 312.404 2.852 20 0 DFADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cccc(F)c1F ZINC000245901703 426780974 /nfs/dbraw/zinc/78/09/74/426780974.db2.gz NYZZOWZQTWQYMX-KBPBESRZSA-N 1 3 312.404 2.852 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000245528339 426747968 /nfs/dbraw/zinc/74/79/68/426747968.db2.gz GCKVTHZLLWPQHF-VQIMIIECSA-N 1 3 302.462 2.948 20 0 DFADHO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000281955061 426800902 /nfs/dbraw/zinc/80/09/02/426800902.db2.gz ARRZGETVVPWOBK-IEBWSBKVSA-N 1 3 320.477 2.922 20 0 DFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000246240492 426812460 /nfs/dbraw/zinc/81/24/60/426812460.db2.gz IUHAUMOJDMYVJW-TWMKSMIVSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000246240487 426812707 /nfs/dbraw/zinc/81/27/07/426812707.db2.gz IUHAUMOJDMYVJW-QZWWFDLISA-N 1 3 309.498 2.521 20 0 DFADHO C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)N1CCCCCC1 ZINC000246721765 426857927 /nfs/dbraw/zinc/85/79/27/426857927.db2.gz LWKLZXLBHCUFQC-SJORKVTESA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)N1CCCCCC1 ZINC000246721765 426857933 /nfs/dbraw/zinc/85/79/33/426857933.db2.gz LWKLZXLBHCUFQC-SJORKVTESA-N 1 3 309.498 2.632 20 0 DFADHO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282124914 426834104 /nfs/dbraw/zinc/83/41/04/426834104.db2.gz AZKJWPGZWOBZRL-YJBOKZPZSA-N 1 3 301.478 2.536 20 0 DFADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1F ZINC000282125031 426834691 /nfs/dbraw/zinc/83/46/91/426834691.db2.gz AZVDVZRDYDMLIU-KRWDZBQOSA-N 1 3 307.457 2.892 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000274805358 426840244 /nfs/dbraw/zinc/84/02/44/426840244.db2.gz UCEJVTKBWKIALE-INMHGKMJSA-N 1 3 319.493 2.961 20 0 DFADHO Cc1cc([C@H](C)NCC2CCN(c3cc[nH+]cc3)CC2)nn1C ZINC000282155434 426842028 /nfs/dbraw/zinc/84/20/28/426842028.db2.gz LKWDQDADKNQJGD-HNNXBMFYSA-N 1 3 313.449 2.691 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000290804042 426843096 /nfs/dbraw/zinc/84/30/96/426843096.db2.gz DUDAHMMGQXUOMW-HNNXBMFYSA-N 1 3 305.466 2.598 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000290804042 426843099 /nfs/dbraw/zinc/84/30/99/426843099.db2.gz DUDAHMMGQXUOMW-HNNXBMFYSA-N 1 3 305.466 2.598 20 0 DFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572567 426795630 /nfs/dbraw/zinc/79/56/30/426795630.db2.gz TYLIZTDYLGBNII-CRAIPNDOSA-N 1 3 311.429 2.857 20 0 DFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572567 426795632 /nfs/dbraw/zinc/79/56/32/426795632.db2.gz TYLIZTDYLGBNII-CRAIPNDOSA-N 1 3 311.429 2.857 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572567 426795638 /nfs/dbraw/zinc/79/56/38/426795638.db2.gz TYLIZTDYLGBNII-CRAIPNDOSA-N 1 3 311.429 2.857 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572567 426795641 /nfs/dbraw/zinc/79/56/41/426795641.db2.gz TYLIZTDYLGBNII-CRAIPNDOSA-N 1 3 311.429 2.857 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1(C)C ZINC000282443850 426916495 /nfs/dbraw/zinc/91/64/95/426916495.db2.gz SBNKORSFLRBVTM-OALUTQOASA-N 1 3 315.505 2.938 20 0 DFADHO C[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000275786280 426917621 /nfs/dbraw/zinc/91/76/21/426917621.db2.gz IMRSDZMNPPACIW-OAGGEKHMSA-N 1 3 317.477 2.991 20 0 DFADHO C[N@H+](CCCNC(=O)c1ccc2c(c1)CNC2)Cc1ccccc1 ZINC000309988034 426918080 /nfs/dbraw/zinc/91/80/80/426918080.db2.gz BSWHJPRIWYJWBG-UHFFFAOYSA-N 1 3 323.440 2.542 20 0 DFADHO C[N@@H+](CCCNC(=O)c1ccc2c(c1)CNC2)Cc1ccccc1 ZINC000309988034 426918087 /nfs/dbraw/zinc/91/80/87/426918087.db2.gz BSWHJPRIWYJWBG-UHFFFAOYSA-N 1 3 323.440 2.542 20 0 DFADHO c1ccc(C[N@H+]2CC[C@@H]3CN(C[C@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000309954994 426919332 /nfs/dbraw/zinc/91/93/32/426919332.db2.gz IEZZAPMJLTYDHO-CEXWTWQISA-N 1 3 300.446 2.619 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(C[C@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000309954994 426919341 /nfs/dbraw/zinc/91/93/41/426919341.db2.gz IEZZAPMJLTYDHO-CEXWTWQISA-N 1 3 300.446 2.619 20 0 DFADHO CN1CCN(CC[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1(C)C ZINC000282232355 426860211 /nfs/dbraw/zinc/86/02/11/426860211.db2.gz IOPAEEQYUPQDBN-IBGZPJMESA-N 1 3 315.505 2.623 20 0 DFADHO C[C@H](CC(N)=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000267289603 426864715 /nfs/dbraw/zinc/86/47/15/426864715.db2.gz XLYHCHZCHOPJRQ-BZUAXINKSA-N 1 3 317.477 2.518 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1cccc(OCCN(C)C)c1 ZINC000305157196 426888415 /nfs/dbraw/zinc/88/84/15/426888415.db2.gz QKEIUKJOZGWAOS-LZLYRXPVSA-N 1 3 320.477 2.829 20 0 DFADHO Clc1cccc(CCNC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000291480812 426894472 /nfs/dbraw/zinc/89/44/72/426894472.db2.gz QWVKWJKDVBCTGU-MRXNPFEDSA-N 1 3 322.880 2.973 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1(N(C)C)CCC1 ZINC000275685232 426895536 /nfs/dbraw/zinc/89/55/36/426895536.db2.gz IQTQWEOXYQMIFF-PKOBYXMFSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H]1CSC[C@H]1[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000295299584 426897299 /nfs/dbraw/zinc/89/72/99/426897299.db2.gz XMCOUADCZGZEPE-RHSMWYFYSA-N 1 3 308.491 2.511 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000247082037 426901158 /nfs/dbraw/zinc/90/11/58/426901158.db2.gz QYJRSLUMKRSRDR-GOEBONIOSA-N 1 3 304.434 2.668 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000247082053 426902192 /nfs/dbraw/zinc/90/21/92/426902192.db2.gz QYJRSLUMKRSRDR-HOCLYGCPSA-N 1 3 304.434 2.668 20 0 DFADHO COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000247159129 426910241 /nfs/dbraw/zinc/91/02/41/426910241.db2.gz XRTJYGJZVRRXQE-RTBURBONSA-N 1 3 304.478 2.954 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccccc1CCN(C)C ZINC000275761719 426911214 /nfs/dbraw/zinc/91/12/14/426911214.db2.gz CNMLYBFDJIYQAA-CQSZACIVSA-N 1 3 305.466 2.896 20 0 DFADHO CC(C)(C)OC(=O)CCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000181556292 426964246 /nfs/dbraw/zinc/96/42/46/426964246.db2.gz JXEUWYORWMXQII-UHFFFAOYSA-N 1 3 310.482 2.916 20 0 DFADHO C[C@@H](C[NH2+]Cc1ccc(Oc2cnccn2)cc1)CN(C)C ZINC000291766436 426980393 /nfs/dbraw/zinc/98/03/93/426980393.db2.gz SFYQJALYIPVMEN-AWEZNQCLSA-N 1 3 300.406 2.556 20 0 DFADHO CC[N@@H+]1CC[C@H](NCc2ccc(F)c(CN(C)C)c2)[C@@H](C)C1 ZINC000248147814 426983773 /nfs/dbraw/zinc/98/37/73/426983773.db2.gz QKSARTSJDZSVRB-KSSFIOAISA-N 1 3 307.457 2.707 20 0 DFADHO CC[N@H+]1CC[C@H](NCc2ccc(F)c(CN(C)C)c2)[C@@H](C)C1 ZINC000248147814 426983779 /nfs/dbraw/zinc/98/37/79/426983779.db2.gz QKSARTSJDZSVRB-KSSFIOAISA-N 1 3 307.457 2.707 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccc(F)c(CN(C)C)c2)[C@@H](C)C1 ZINC000248147814 426983782 /nfs/dbraw/zinc/98/37/82/426983782.db2.gz QKSARTSJDZSVRB-KSSFIOAISA-N 1 3 307.457 2.707 20 0 DFADHO C[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)N1[C@H](C)CC[C@H]1C ZINC000275844501 426931922 /nfs/dbraw/zinc/93/19/22/426931922.db2.gz KBACNBULUWMOJQ-OAGGEKHMSA-N 1 3 317.477 2.991 20 0 DFADHO Fc1ccc(N2CCN(CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000315414374 426937002 /nfs/dbraw/zinc/93/70/02/426937002.db2.gz ISYFNSFGXBZTEL-UHFFFAOYSA-N 1 3 305.441 2.728 20 0 DFADHO C[C@@H](NCCOCC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276158730 426996640 /nfs/dbraw/zinc/99/66/40/426996640.db2.gz CYODOKXKDAISDP-GDBMZVCRSA-N 1 3 312.404 2.768 20 0 DFADHO C[C@@H](NCCOCC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276158730 426996648 /nfs/dbraw/zinc/99/66/48/426996648.db2.gz CYODOKXKDAISDP-GDBMZVCRSA-N 1 3 312.404 2.768 20 0 DFADHO Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@@H]3CCCCN3C)C2)n1 ZINC000268563081 427054864 /nfs/dbraw/zinc/05/48/64/427054864.db2.gz POHGNDKYBAEOSN-ROUUACIJSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCCCN3C)C2)n1 ZINC000268563081 427054870 /nfs/dbraw/zinc/05/48/70/427054870.db2.gz POHGNDKYBAEOSN-ROUUACIJSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1cccc(NC[C@@H]2CCN(CC[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000268563081 427054880 /nfs/dbraw/zinc/05/48/80/427054880.db2.gz POHGNDKYBAEOSN-ROUUACIJSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1cccc(NC[C@@H]2CCN(CC[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000268563081 427054888 /nfs/dbraw/zinc/05/48/88/427054888.db2.gz POHGNDKYBAEOSN-ROUUACIJSA-N 1 3 316.493 2.998 20 0 DFADHO COCC[NH+]1CCC(N[C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296075512 427065567 /nfs/dbraw/zinc/06/55/67/427065567.db2.gz SIEJDPHBUAXGKR-HNNXBMFYSA-N 1 3 323.868 2.813 20 0 DFADHO CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292037586 427067774 /nfs/dbraw/zinc/06/77/74/427067774.db2.gz AAUPOMIURLCJHF-IBGZPJMESA-N 1 3 316.445 2.779 20 0 DFADHO CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292037586 427067778 /nfs/dbraw/zinc/06/77/78/427067778.db2.gz AAUPOMIURLCJHF-IBGZPJMESA-N 1 3 316.445 2.779 20 0 DFADHO CCC(=O)CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000190316488 427074591 /nfs/dbraw/zinc/07/45/91/427074591.db2.gz WIZFKYXULNQNRV-UHFFFAOYSA-N 1 3 303.450 2.989 20 0 DFADHO CCC(=O)CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000190316488 427074595 /nfs/dbraw/zinc/07/45/95/427074595.db2.gz WIZFKYXULNQNRV-UHFFFAOYSA-N 1 3 303.450 2.989 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CC(C)(C)N(C)C)CCN1Cc1ccccc1 ZINC000268701102 427092833 /nfs/dbraw/zinc/09/28/33/427092833.db2.gz FPSVIKRINAQEDY-SJLPKXTDSA-N 1 3 303.494 2.969 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCCc2ccc(O)cc21 ZINC000283916459 427100035 /nfs/dbraw/zinc/10/00/35/427100035.db2.gz DODSDIPLUAQZNJ-AEFFLSMTSA-N 1 3 306.450 2.716 20 0 DFADHO CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)[C@@H](C)OC ZINC000268789661 427114212 /nfs/dbraw/zinc/11/42/12/427114212.db2.gz UIALZYJAXCYZGP-JKSUJKDBSA-N 1 3 308.466 2.920 20 0 DFADHO C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000338048265 427114532 /nfs/dbraw/zinc/11/45/32/427114532.db2.gz ANRHQTBZQKXZOA-NCOADZHNSA-N 1 3 323.525 2.874 20 0 DFADHO C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000338048265 427114536 /nfs/dbraw/zinc/11/45/36/427114536.db2.gz ANRHQTBZQKXZOA-NCOADZHNSA-N 1 3 323.525 2.874 20 0 DFADHO CC[NH+](CC)CCCC1CCN([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000182759416 427142154 /nfs/dbraw/zinc/14/21/54/427142154.db2.gz UNVOYGKDPCMUQY-SFHVURJKSA-N 1 3 323.525 2.830 20 0 DFADHO C[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CCCCCC1 ZINC000174201317 271132829 /nfs/dbraw/zinc/13/28/29/271132829.db2.gz YEMDJTUQGCPKSO-QGZVFWFLSA-N 1 3 321.509 2.728 20 0 DFADHO C[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CCCCCC1 ZINC000174201317 271132832 /nfs/dbraw/zinc/13/28/32/271132832.db2.gz YEMDJTUQGCPKSO-QGZVFWFLSA-N 1 3 321.509 2.728 20 0 DFADHO C[C@@H]1CCC[C@H](CC[NH+]2CCC(C(=O)NCCN(C)C)CC2)C1 ZINC000177050722 271172421 /nfs/dbraw/zinc/17/24/21/271172421.db2.gz RJEQSJUTUBAJIS-IAGOWNOFSA-N 1 3 323.525 2.593 20 0 DFADHO [NH3+]CCCCCCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000237987541 271254734 /nfs/dbraw/zinc/25/47/34/271254734.db2.gz DBCQCNLWXMOLQI-SFHVURJKSA-N 1 3 317.477 2.676 20 0 DFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2ccnc3ccccc32)CC1 ZINC000333712917 271386994 /nfs/dbraw/zinc/38/69/94/271386994.db2.gz SPFVVCUFTHMBIL-VQIMIIECSA-N 1 3 311.429 2.958 20 0 DFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2ccnc3ccccc32)CC1 ZINC000333712914 271387129 /nfs/dbraw/zinc/38/71/29/271387129.db2.gz SPFVVCUFTHMBIL-LPHOPBHVSA-N 1 3 311.429 2.958 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cc1 ZINC000338183124 427177228 /nfs/dbraw/zinc/17/72/28/427177228.db2.gz ACSCFYJUQZPPCB-QAPCUYQASA-N 1 3 317.477 2.741 20 0 DFADHO C[C@@H](CO)C[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183132099 427206948 /nfs/dbraw/zinc/20/69/48/427206948.db2.gz GGAVIIJAEMBEMR-BVBHFADKSA-N 1 3 302.462 2.505 20 0 DFADHO C[NH+]1CCC(C)(CN[C@@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000330269137 427210580 /nfs/dbraw/zinc/21/05/80/427210580.db2.gz RSHKXMKHNDLAMG-OAHLLOKOSA-N 1 3 305.470 2.748 20 0 DFADHO CC1=CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CC1 ZINC000285398578 427220851 /nfs/dbraw/zinc/22/08/51/427220851.db2.gz XCBXOKAOAWZACL-GOSISDBHSA-N 1 3 315.461 2.566 20 0 DFADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cccc(Cl)c1F ZINC000191004946 427226679 /nfs/dbraw/zinc/22/66/79/427226679.db2.gz JPKMUCHYHDNXPZ-UHFFFAOYSA-N 1 3 313.848 2.548 20 0 DFADHO CC(=O)CC[N@@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2 ZINC000293183247 427236476 /nfs/dbraw/zinc/23/64/76/427236476.db2.gz DTHAGMDUWBGZOH-UHFFFAOYSA-N 1 3 300.446 2.954 20 0 DFADHO CC(=O)CC[N@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2 ZINC000293183247 427236482 /nfs/dbraw/zinc/23/64/82/427236482.db2.gz DTHAGMDUWBGZOH-UHFFFAOYSA-N 1 3 300.446 2.954 20 0 DFADHO COCC[NH+]1CCC(NC/C=C/c2ccc(F)c(F)c2)CC1 ZINC000285493579 427250592 /nfs/dbraw/zinc/25/05/92/427250592.db2.gz PMXKNFAMJDSBLC-NSCUHMNNSA-N 1 3 310.388 2.678 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338317237 427254672 /nfs/dbraw/zinc/25/46/72/427254672.db2.gz PLQAYRKABGKQBN-KBPBESRZSA-N 1 3 304.425 2.589 20 0 DFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338434745 427319277 /nfs/dbraw/zinc/31/92/77/427319277.db2.gz FOYKUKDTWWWWGU-MRXNPFEDSA-N 1 3 324.472 2.969 20 0 DFADHO Cc1ccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338434745 427319282 /nfs/dbraw/zinc/31/92/82/427319282.db2.gz FOYKUKDTWWWWGU-MRXNPFEDSA-N 1 3 324.472 2.969 20 0 DFADHO Cc1ccc(CNC[C@H]2CC[N@H+](C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338434745 427319288 /nfs/dbraw/zinc/31/92/88/427319288.db2.gz FOYKUKDTWWWWGU-MRXNPFEDSA-N 1 3 324.472 2.969 20 0 DFADHO CC1(C)Cc2cccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2O1 ZINC000262135733 427352927 /nfs/dbraw/zinc/35/29/27/427352927.db2.gz LXFIAUNRDHWWOW-BHYGNILZSA-N 1 3 300.446 2.959 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CSC2(C)C)CC1 ZINC000338477566 427343060 /nfs/dbraw/zinc/34/30/60/427343060.db2.gz PUBRYTXJGAVFMW-QGZVFWFLSA-N 1 3 319.518 2.812 20 0 DFADHO COc1ccc(C[N@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000191408625 427343711 /nfs/dbraw/zinc/34/37/11/427343711.db2.gz XCDPXBXDAQHPQJ-UHFFFAOYSA-N 1 3 319.493 2.543 20 0 DFADHO COc1ccc(C[N@@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000191408625 427343717 /nfs/dbraw/zinc/34/37/17/427343717.db2.gz XCDPXBXDAQHPQJ-UHFFFAOYSA-N 1 3 319.493 2.543 20 0 DFADHO COCCOc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000293619699 427385484 /nfs/dbraw/zinc/38/54/84/427385484.db2.gz KPZVXOMNEUGSFH-LJQANCHMSA-N 1 3 318.461 2.630 20 0 DFADHO COCCOc1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000293619699 427385494 /nfs/dbraw/zinc/38/54/94/427385494.db2.gz KPZVXOMNEUGSFH-LJQANCHMSA-N 1 3 318.461 2.630 20 0 DFADHO C[NH+](C)CCCC1CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000271047463 427385869 /nfs/dbraw/zinc/38/58/69/427385869.db2.gz OTFRWHDDWLBINO-SFHVURJKSA-N 1 3 308.441 2.913 20 0 DFADHO CCn1nccc1CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000338573261 427388527 /nfs/dbraw/zinc/38/85/27/427388527.db2.gz UFBILZKXCUUKSI-HOTGVXAUSA-N 1 3 304.482 2.688 20 0 DFADHO CCn1nccc1CCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338573261 427388536 /nfs/dbraw/zinc/38/85/36/427388536.db2.gz UFBILZKXCUUKSI-HOTGVXAUSA-N 1 3 304.482 2.688 20 0 DFADHO CCn1nccc1CCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338573261 427388541 /nfs/dbraw/zinc/38/85/41/427388541.db2.gz UFBILZKXCUUKSI-HOTGVXAUSA-N 1 3 304.482 2.688 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000271049627 427390139 /nfs/dbraw/zinc/39/01/39/427390139.db2.gz WQBUBOKGMJUEEW-MOPGFXCFSA-N 1 3 302.462 2.744 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000271049627 427390144 /nfs/dbraw/zinc/39/01/44/427390144.db2.gz WQBUBOKGMJUEEW-MOPGFXCFSA-N 1 3 302.462 2.744 20 0 DFADHO CC[C@H](C)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286071989 427418982 /nfs/dbraw/zinc/41/89/82/427418982.db2.gz RWQLPYXZMXSECG-PKOBYXMFSA-N 1 3 301.478 2.677 20 0 DFADHO CC[C@H](C)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286071989 427418991 /nfs/dbraw/zinc/41/89/91/427418991.db2.gz RWQLPYXZMXSECG-PKOBYXMFSA-N 1 3 301.478 2.677 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)CO2 ZINC000297504821 427407358 /nfs/dbraw/zinc/40/73/58/427407358.db2.gz CDVQIGKTYNGREB-DOTOQJQBSA-N 1 3 318.461 2.709 20 0 DFADHO Cc1c[nH+]ccc1N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000191980328 427457131 /nfs/dbraw/zinc/45/71/31/427457131.db2.gz FBXBHGFVHYBOHX-HZPDHXFCSA-N 1 3 303.450 2.716 20 0 DFADHO CN(C)CCOc1ccc(NC2CC[NH+](C3CC3)CC2)cc1 ZINC000297887841 427478103 /nfs/dbraw/zinc/47/81/03/427478103.db2.gz QUWIPLNYPOVOQL-UHFFFAOYSA-N 1 3 303.450 2.666 20 0 DFADHO CC[NH+](CC)[C@@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000271283177 427483324 /nfs/dbraw/zinc/48/33/24/427483324.db2.gz OLNZFMRSGFFTHX-RBUKOAKNSA-N 1 3 301.478 2.677 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286098070 427422858 /nfs/dbraw/zinc/42/28/58/427422858.db2.gz NBXYNZASPHXSEN-NWANDNLSSA-N 1 3 317.433 2.541 20 0 DFADHO Cc1ccc(F)c(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000271162484 427423115 /nfs/dbraw/zinc/42/31/15/427423115.db2.gz LUHZMALKUBAGFQ-HNNXBMFYSA-N 1 3 308.441 2.659 20 0 DFADHO CC(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297691292 427428753 /nfs/dbraw/zinc/42/87/53/427428753.db2.gz PWEKEJJNNAKFFK-CRAIPNDOSA-N 1 3 303.450 2.701 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000293779567 427433737 /nfs/dbraw/zinc/43/37/37/427433737.db2.gz QBDWMIDZMICMHU-RLLQIKCJSA-N 1 3 315.505 2.971 20 0 DFADHO CCc1oc2ccccc2c1C[NH+]1CCC(N(C)CCO)CC1 ZINC000271182510 427435798 /nfs/dbraw/zinc/43/57/98/427435798.db2.gz XUXXHPBWFVNAQY-UHFFFAOYSA-N 1 3 316.445 2.884 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000338689024 427441058 /nfs/dbraw/zinc/44/10/58/427441058.db2.gz BIIIHQYFMQYDJA-MISYRCLQSA-N 1 3 315.505 2.796 20 0 DFADHO CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000293956456 427502983 /nfs/dbraw/zinc/50/29/83/427502983.db2.gz ZQTRZRFYQBUZLA-ROUUACIJSA-N 1 3 302.462 2.708 20 0 DFADHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2ccccc2F)CC1 ZINC000263736237 427555856 /nfs/dbraw/zinc/55/58/56/427555856.db2.gz TZTPDEKXEKZLGT-UHFFFAOYSA-N 1 3 321.440 2.959 20 0 DFADHO c1ccc(CN2CCC[C@@H]3C[N@@H+]([C@@H]4CCOC4)CC[C@@H]32)cc1 ZINC000271456374 427544251 /nfs/dbraw/zinc/54/42/51/427544251.db2.gz VXPDXTPHRFXALH-QRVBRYPASA-N 1 3 300.446 2.762 20 0 DFADHO c1ccc(CN2CCC[C@@H]3C[N@H+]([C@@H]4CCOC4)CC[C@@H]32)cc1 ZINC000271456374 427544254 /nfs/dbraw/zinc/54/42/54/427544254.db2.gz VXPDXTPHRFXALH-QRVBRYPASA-N 1 3 300.446 2.762 20 0 DFADHO C[C@@H]([NH2+]CCC[C@H](C)CO)c1cccc(OCCN(C)C)c1 ZINC000271461120 427547444 /nfs/dbraw/zinc/54/74/44/427547444.db2.gz HLXPDLGVEWKGTC-JKSUJKDBSA-N 1 3 308.466 2.686 20 0 DFADHO CN(CCN1CCC[C@H]1C[NH+]1CCCC1)Cc1ccccc1 ZINC000279080392 427552401 /nfs/dbraw/zinc/55/24/01/427552401.db2.gz ACGIGNADPKJFEN-IBGZPJMESA-N 1 3 301.478 2.679 20 0 DFADHO Cc1ccc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(CN(C)C)c1 ZINC000279255237 427615193 /nfs/dbraw/zinc/61/51/93/427615193.db2.gz UHIICTAKGAPMRM-GJZGRUSLSA-N 1 3 303.450 2.725 20 0 DFADHO Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(CN(C)C)c1 ZINC000279255237 427615203 /nfs/dbraw/zinc/61/52/03/427615203.db2.gz UHIICTAKGAPMRM-GJZGRUSLSA-N 1 3 303.450 2.725 20 0 DFADHO CCc1oc(CNCCC2CC[NH+](CC)CC2)cc1C(=O)OC ZINC000338942656 427578912 /nfs/dbraw/zinc/57/89/12/427578912.db2.gz UESQTFJMPFSLMT-UHFFFAOYSA-N 1 3 322.449 2.840 20 0 DFADHO COC1(CC[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000338952820 427583338 /nfs/dbraw/zinc/58/33/38/427583338.db2.gz DZEBNWHFQNQEQE-CALCHBBNSA-N 1 3 324.509 2.767 20 0 DFADHO COCc1cc([C@@H](C)[NH2+]CCCN2CCCC2)ccc1OC ZINC000192747412 427601297 /nfs/dbraw/zinc/60/12/97/427601297.db2.gz DDDIIWUPAROYJS-OAHLLOKOSA-N 1 3 306.450 2.978 20 0 DFADHO CN(C)Cc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1F ZINC000192868236 427627216 /nfs/dbraw/zinc/62/72/16/427627216.db2.gz IGDAJHFRCIINJI-ALOPSCKCSA-N 1 3 305.441 2.602 20 0 DFADHO CN(C)Cc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1F ZINC000192868236 427627221 /nfs/dbraw/zinc/62/72/21/427627221.db2.gz IGDAJHFRCIINJI-ALOPSCKCSA-N 1 3 305.441 2.602 20 0 DFADHO CN(C)Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1F ZINC000192868236 427627231 /nfs/dbraw/zinc/62/72/31/427627231.db2.gz IGDAJHFRCIINJI-ALOPSCKCSA-N 1 3 305.441 2.602 20 0 DFADHO COc1ccccc1O[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192909635 427635669 /nfs/dbraw/zinc/63/56/69/427635669.db2.gz ARYJQMSTRHGYPJ-WZYMTQMTSA-N 1 3 304.434 2.677 20 0 DFADHO COc1ccccc1O[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192909635 427635675 /nfs/dbraw/zinc/63/56/75/427635675.db2.gz ARYJQMSTRHGYPJ-WZYMTQMTSA-N 1 3 304.434 2.677 20 0 DFADHO O=C(CC[NH2+]C1CCN(c2ccncc2)CC1)Nc1ccccc1 ZINC000298559134 427648886 /nfs/dbraw/zinc/64/88/86/427648886.db2.gz VTQFPXUBJAEJDS-UHFFFAOYSA-N 1 3 324.428 2.669 20 0 DFADHO C[C@H](CCc1cccn1C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298568099 427650624 /nfs/dbraw/zinc/65/06/24/427650624.db2.gz WTPHRAFOFBGWHN-MRXNPFEDSA-N 1 3 312.461 3.000 20 0 DFADHO CC(C)(C)c1cn2c(n1)CC[C@H](N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000339068042 427659408 /nfs/dbraw/zinc/65/94/08/427659408.db2.gz JLUJRBNEGDCODF-HRCADAONSA-N 1 3 316.493 2.712 20 0 DFADHO CC(C)(C)c1cn2c(n1)CC[C@H](N[C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000339068042 427659416 /nfs/dbraw/zinc/65/94/16/427659416.db2.gz JLUJRBNEGDCODF-HRCADAONSA-N 1 3 316.493 2.712 20 0 DFADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccncc2OCCN(C)C)C[C@H]1C ZINC000342427328 272011374 /nfs/dbraw/zinc/01/13/74/272011374.db2.gz MILWBCBADRMQPV-INMHGKMJSA-N 1 3 305.466 2.936 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+]CC[C@@H]3CCOC3)cc2)CC1 ZINC000342819227 272059171 /nfs/dbraw/zinc/05/91/71/272059171.db2.gz AEQZCQAYSHUVLR-QGZVFWFLSA-N 1 3 318.461 2.676 20 0 DFADHO C[C@H]1C[N@H+](C)C[C@@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000342902705 272065443 /nfs/dbraw/zinc/06/54/43/272065443.db2.gz PFDIXGWKALXHFR-YOEHRIQHSA-N 1 3 305.491 2.597 20 0 DFADHO C[C@H]1C[N@@H+](C)C[C@@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000342902705 272065445 /nfs/dbraw/zinc/06/54/45/272065445.db2.gz PFDIXGWKALXHFR-YOEHRIQHSA-N 1 3 305.491 2.597 20 0 DFADHO C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1cccc(-n2ccnn2)c1 ZINC000287708803 427676762 /nfs/dbraw/zinc/67/67/62/427676762.db2.gz NZWJNEAVWZNGNS-JKSUJKDBSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1cccc(-n2ccnn2)c1 ZINC000287708803 427676768 /nfs/dbraw/zinc/67/67/68/427676768.db2.gz NZWJNEAVWZNGNS-JKSUJKDBSA-N 1 3 313.449 2.650 20 0 DFADHO COC(=O)c1ccc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1Cl ZINC000295068174 427679489 /nfs/dbraw/zinc/67/94/89/427679489.db2.gz PZUPJMRHHZHWJG-AWEZNQCLSA-N 1 3 324.852 2.900 20 0 DFADHO COC(=O)c1ccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1Cl ZINC000295068174 427679493 /nfs/dbraw/zinc/67/94/93/427679493.db2.gz PZUPJMRHHZHWJG-AWEZNQCLSA-N 1 3 324.852 2.900 20 0 DFADHO C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343891617 272233275 /nfs/dbraw/zinc/23/32/75/272233275.db2.gz YVSKKWSJOIWMFQ-JTDSTZFVSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343891617 272233276 /nfs/dbraw/zinc/23/32/76/272233276.db2.gz YVSKKWSJOIWMFQ-JTDSTZFVSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343921974 272238218 /nfs/dbraw/zinc/23/82/18/272238218.db2.gz JQDOKTPKIWYFHI-GJYPPUQNSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@@H](c1ccccc1F)[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343921974 272238219 /nfs/dbraw/zinc/23/82/19/272238219.db2.gz JQDOKTPKIWYFHI-GJYPPUQNSA-N 1 3 319.468 2.845 20 0 DFADHO [O-]c1cc(F)cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000185617431 427680871 /nfs/dbraw/zinc/68/08/71/427680871.db2.gz YMGDBKGJKOZOQN-UHFFFAOYSA-N 1 3 315.392 2.933 20 0 DFADHO CN(CCCN(C)Cc1ccc(Cl)cc1F)CC[NH+](C)C ZINC000344026381 272250189 /nfs/dbraw/zinc/25/01/89/272250189.db2.gz JLFNSBKQNRDMFO-UHFFFAOYSA-N 1 3 315.864 2.794 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000153 272392445 /nfs/dbraw/zinc/39/24/45/272392445.db2.gz IVHOMMKBHUBHSP-RZFLPCETSA-N 1 3 321.509 2.723 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000153 272392446 /nfs/dbraw/zinc/39/24/46/272392446.db2.gz IVHOMMKBHUBHSP-RZFLPCETSA-N 1 3 321.509 2.723 20 0 DFADHO C[C@@H](NC[C@H](O)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185743868 427699175 /nfs/dbraw/zinc/69/91/75/427699175.db2.gz RULDFLQLFMDPOL-IMFGXOCKSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@@H](NC[C@H](O)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185743868 427699180 /nfs/dbraw/zinc/69/91/80/427699180.db2.gz RULDFLQLFMDPOL-IMFGXOCKSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185743868 427699186 /nfs/dbraw/zinc/69/91/86/427699186.db2.gz RULDFLQLFMDPOL-IMFGXOCKSA-N 1 3 316.489 2.833 20 0 DFADHO C[N@H+]1C[C@H]2CN(CCC(=O)Nc3cccc4ccccc43)C[C@H]2C1 ZINC000193626624 427701819 /nfs/dbraw/zinc/70/18/19/427701819.db2.gz FBRQAWGVLYRJBK-CALCHBBNSA-N 1 3 323.440 2.662 20 0 DFADHO C[N@@H+]1C[C@H]2CN(CCC(=O)Nc3cccc4ccccc43)C[C@H]2C1 ZINC000193626624 427701823 /nfs/dbraw/zinc/70/18/23/427701823.db2.gz FBRQAWGVLYRJBK-CALCHBBNSA-N 1 3 323.440 2.662 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000339339233 427756877 /nfs/dbraw/zinc/75/68/77/427756877.db2.gz DZLWNOULQWAEIB-DOTOQJQBSA-N 1 3 308.466 2.740 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[NH+](CC)CC)c1ccsc1 ZINC000299234864 427762409 /nfs/dbraw/zinc/76/24/09/427762409.db2.gz GOVPZUZGSLUIID-HNNXBMFYSA-N 1 3 311.495 2.589 20 0 DFADHO CCN(CC)CC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000299234864 427762411 /nfs/dbraw/zinc/76/24/11/427762411.db2.gz GOVPZUZGSLUIID-HNNXBMFYSA-N 1 3 311.495 2.589 20 0 DFADHO Cc1ccc2cc(CN3CCC(OCCC[NH3+])CC3)ccc2n1 ZINC000336872220 427768916 /nfs/dbraw/zinc/76/89/16/427768916.db2.gz LPHRMYWFCXUYDQ-UHFFFAOYSA-N 1 3 313.445 2.873 20 0 DFADHO c1ccc(CN2C[C@@H](C[NH2+]CC3CC3)C3(C2)CCOCC3)cc1 ZINC000339487478 427782872 /nfs/dbraw/zinc/78/28/72/427782872.db2.gz HIRKHMITDTYORB-LJQANCHMSA-N 1 3 314.473 2.915 20 0 DFADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@H]1CCOC1 ZINC000336656063 427746461 /nfs/dbraw/zinc/74/64/61/427746461.db2.gz KQHWMTLLADATQW-ABHMUUKNSA-N 1 3 314.473 2.912 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000336694067 427747624 /nfs/dbraw/zinc/74/76/24/427747624.db2.gz YNDVWOWOSZUSLX-MOPGFXCFSA-N 1 3 301.478 2.582 20 0 DFADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000336694067 427747627 /nfs/dbraw/zinc/74/76/27/427747627.db2.gz YNDVWOWOSZUSLX-MOPGFXCFSA-N 1 3 301.478 2.582 20 0 DFADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000336694067 427747631 /nfs/dbraw/zinc/74/76/31/427747631.db2.gz YNDVWOWOSZUSLX-MOPGFXCFSA-N 1 3 301.478 2.582 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)CC1 ZINC000339714166 427816761 /nfs/dbraw/zinc/81/67/61/427816761.db2.gz AYBRYUPFWRXOCX-ZWKOTPCHSA-N 1 3 307.526 2.913 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)CC1 ZINC000339714166 427816762 /nfs/dbraw/zinc/81/67/62/427816762.db2.gz AYBRYUPFWRXOCX-ZWKOTPCHSA-N 1 3 307.526 2.913 20 0 DFADHO CC(C)OC[C@H](C)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000337325027 427846918 /nfs/dbraw/zinc/84/69/18/427846918.db2.gz BQRCQGFCGWACOQ-HKUYNNGSSA-N 1 3 304.478 2.954 20 0 DFADHO CC(C)OC[C@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000337325027 427846925 /nfs/dbraw/zinc/84/69/25/427846925.db2.gz BQRCQGFCGWACOQ-HKUYNNGSSA-N 1 3 304.478 2.954 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000340500308 427865442 /nfs/dbraw/zinc/86/54/42/427865442.db2.gz RIAMAXVVJPZEGB-XLAORIBOSA-N 1 3 321.509 2.725 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)C(C)C ZINC000340515003 427870527 /nfs/dbraw/zinc/87/05/27/427870527.db2.gz LIKZRRGGANXQKJ-DLBZAZTESA-N 1 3 311.514 2.543 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)C(C)C ZINC000340515003 427870533 /nfs/dbraw/zinc/87/05/33/427870533.db2.gz LIKZRRGGANXQKJ-DLBZAZTESA-N 1 3 311.514 2.543 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](c1ccccc1Cl)N(C)C ZINC000359551201 427904102 /nfs/dbraw/zinc/90/41/02/427904102.db2.gz JRDUARLANNMISX-COXVUDFISA-N 1 3 309.885 2.873 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1ccccc1Cl)N(C)C ZINC000359551201 427904106 /nfs/dbraw/zinc/90/41/06/427904106.db2.gz JRDUARLANNMISX-COXVUDFISA-N 1 3 309.885 2.873 20 0 DFADHO CC[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N(CC)CC ZINC000345808982 427916512 /nfs/dbraw/zinc/91/65/12/427916512.db2.gz SYLCJXNFENRSID-JKSUJKDBSA-N 1 3 311.514 2.734 20 0 DFADHO CC[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N(CC)CC ZINC000345808982 427916517 /nfs/dbraw/zinc/91/65/17/427916517.db2.gz SYLCJXNFENRSID-JKSUJKDBSA-N 1 3 311.514 2.734 20 0 DFADHO CN1CCC[C@@H](CNC(N)=[NH2+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304265040 427922533 /nfs/dbraw/zinc/92/25/33/427922533.db2.gz VBCAVCDSFPUEQS-AAEUAGOBSA-N 1 3 314.355 2.571 20 0 DFADHO CCC[NH+]1CCC(CN[C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000340231374 427960876 /nfs/dbraw/zinc/96/08/76/427960876.db2.gz OKUDENGSQZHEGK-HNNXBMFYSA-N 1 3 319.478 2.667 20 0 DFADHO CC[C@H](C[NH2+][C@H]1CCN(C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000359660994 427961385 /nfs/dbraw/zinc/96/13/85/427961385.db2.gz DXIXTGYZANKKGE-FFZOFVMBSA-N 1 3 315.505 2.896 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000347025731 272713485 /nfs/dbraw/zinc/71/34/85/272713485.db2.gz OKQKYEMEYDYGGN-INIZCTEOSA-N 1 3 319.493 2.744 20 0 DFADHO c1ccc(CN2CC[C@@H](N3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC000340280765 427975439 /nfs/dbraw/zinc/97/54/39/427975439.db2.gz ANMPCJRFWAGXPO-HXUWFJFHSA-N 1 3 313.489 2.821 20 0 DFADHO C[C@@H]1[C@H]([NH2+]CC2=CCN(C)CC2)CCCN1Cc1ccccc1 ZINC000340314545 427983890 /nfs/dbraw/zinc/98/38/90/427983890.db2.gz DVJCMEYLKCNNAL-YLJYHZDGSA-N 1 3 313.489 2.891 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)[C@H]1Oc1ccccc1 ZINC000359716197 427984782 /nfs/dbraw/zinc/98/47/82/427984782.db2.gz MLKALXCMCJVTCK-GUDVDZBRSA-N 1 3 318.461 2.687 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000340188864 427950150 /nfs/dbraw/zinc/95/01/50/427950150.db2.gz QNRKMVFADNEHJW-QRQLOZEOSA-N 1 3 301.478 2.753 20 0 DFADHO Cn1ccnc1C[C@H]1CCC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000340919360 427953789 /nfs/dbraw/zinc/95/37/89/427953789.db2.gz YFAWJYLKQZRYMD-SJORKVTESA-N 1 3 304.482 2.549 20 0 DFADHO Cn1ccnc1C[C@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000340919360 427953795 /nfs/dbraw/zinc/95/37/95/427953795.db2.gz YFAWJYLKQZRYMD-SJORKVTESA-N 1 3 304.482 2.549 20 0 DFADHO Cn1ccnc1C[C@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000340919360 427953799 /nfs/dbraw/zinc/95/37/99/427953799.db2.gz YFAWJYLKQZRYMD-SJORKVTESA-N 1 3 304.482 2.549 20 0 DFADHO Cn1ccnc1C[C@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000340919360 427953803 /nfs/dbraw/zinc/95/38/03/427953803.db2.gz YFAWJYLKQZRYMD-SJORKVTESA-N 1 3 304.482 2.549 20 0 DFADHO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCN(C)Cc1ccc(F)cc1 ZINC000359850525 428046127 /nfs/dbraw/zinc/04/61/27/428046127.db2.gz AUHNPRRQXGMPGH-VQIMIIECSA-N 1 3 319.468 2.816 20 0 DFADHO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCN(C)Cc1ccc(F)cc1 ZINC000359850525 428046132 /nfs/dbraw/zinc/04/61/32/428046132.db2.gz AUHNPRRQXGMPGH-VQIMIIECSA-N 1 3 319.468 2.816 20 0 DFADHO CC[NH+](CC)CCCC1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000359882040 428059020 /nfs/dbraw/zinc/05/90/20/428059020.db2.gz XVEGTYNWRBYTMU-GOSISDBHSA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)[C@H](C(=O)N1CC[C@@H](N2CCCCC2)C1)[NH+]1CCCCC1 ZINC000341188181 428005812 /nfs/dbraw/zinc/00/58/12/428005812.db2.gz LLJPWQMOFIHSRS-QZTJIDSGSA-N 1 3 321.509 2.584 20 0 DFADHO C[N@H+](CCOc1ccccc1C(F)(F)F)[C@@H](CN)C1CC1 ZINC000359904971 428071626 /nfs/dbraw/zinc/07/16/26/428071626.db2.gz CZKCAZVVIFBIEC-ZDUSSCGKSA-N 1 3 302.340 2.753 20 0 DFADHO C[N@@H+](CCOc1ccccc1C(F)(F)F)[C@@H](CN)C1CC1 ZINC000359904971 428071629 /nfs/dbraw/zinc/07/16/29/428071629.db2.gz CZKCAZVVIFBIEC-ZDUSSCGKSA-N 1 3 302.340 2.753 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212304 428072281 /nfs/dbraw/zinc/07/22/81/428072281.db2.gz QCZGTFSNRFCPKG-HUUCEWRRSA-N 1 3 304.438 2.611 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212304 428072287 /nfs/dbraw/zinc/07/22/87/428072287.db2.gz QCZGTFSNRFCPKG-HUUCEWRRSA-N 1 3 304.438 2.611 20 0 DFADHO CCc1noc(C2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)n1 ZINC000369834748 428074034 /nfs/dbraw/zinc/07/40/34/428074034.db2.gz LGFYCBJEVNMUTR-CKUJCDMFSA-N 1 3 318.465 2.875 20 0 DFADHO CCCCNC(=[NH2+])NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000369878802 428082084 /nfs/dbraw/zinc/08/20/84/428082084.db2.gz UUYWENURYLAXHY-UHFFFAOYSA-N 1 3 320.403 2.706 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000356248778 428086944 /nfs/dbraw/zinc/08/69/44/428086944.db2.gz FAVNGVCXEYYYKD-RYQLBKOJSA-N 1 3 319.493 2.961 20 0 DFADHO Cc1c(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cnn1C ZINC000377338414 428108772 /nfs/dbraw/zinc/10/87/72/428108772.db2.gz XKNZMTRHQVLVOH-AZUAARDMSA-N 1 3 324.472 2.682 20 0 DFADHO Cc1c(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cnn1C ZINC000377338414 428108775 /nfs/dbraw/zinc/10/87/75/428108775.db2.gz XKNZMTRHQVLVOH-AZUAARDMSA-N 1 3 324.472 2.682 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000346288097 428109176 /nfs/dbraw/zinc/10/91/76/428109176.db2.gz PBTHXAWPCZHUQN-MSOLQXFVSA-N 1 3 317.477 2.614 20 0 DFADHO C[C@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(C)(C)n1cncn1 ZINC000377394063 428120112 /nfs/dbraw/zinc/12/01/12/428120112.db2.gz SRVCSUKEHKLKLK-RDJZCZTQSA-N 1 3 319.497 2.788 20 0 DFADHO C[C@H](NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(C)(C)n1cncn1 ZINC000377394063 428120118 /nfs/dbraw/zinc/12/01/18/428120118.db2.gz SRVCSUKEHKLKLK-RDJZCZTQSA-N 1 3 319.497 2.788 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1cccc(-c2nccn2C)c1 ZINC000360056851 428135883 /nfs/dbraw/zinc/13/58/83/428135883.db2.gz IZUOOWXHMYKQQJ-VKJFTORMSA-N 1 3 312.461 2.905 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cccc(-c2nccn2C)c1 ZINC000360056851 428135885 /nfs/dbraw/zinc/13/58/85/428135885.db2.gz IZUOOWXHMYKQQJ-VKJFTORMSA-N 1 3 312.461 2.905 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1cccc(-c2nccn2C)c1 ZINC000360056849 428136125 /nfs/dbraw/zinc/13/61/25/428136125.db2.gz IZUOOWXHMYKQQJ-RKVPGOIHSA-N 1 3 312.461 2.905 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cccc(-c2nccn2C)c1 ZINC000360056849 428136132 /nfs/dbraw/zinc/13/61/32/428136132.db2.gz IZUOOWXHMYKQQJ-RKVPGOIHSA-N 1 3 312.461 2.905 20 0 DFADHO CCCNC(=[NH2+])NC[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000370167565 428150187 /nfs/dbraw/zinc/15/01/87/428150187.db2.gz QZNNQKSOFIBSSC-HIFRSBDPSA-N 1 3 308.857 2.857 20 0 DFADHO CN1CC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1cccs1 ZINC000370164695 428150274 /nfs/dbraw/zinc/15/02/74/428150274.db2.gz XYOCDCFMJRRXLR-WFASDCNBSA-N 1 3 315.446 2.772 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000346374800 428147794 /nfs/dbraw/zinc/14/77/94/428147794.db2.gz BMJCPZGBDREXHA-HOCLYGCPSA-N 1 3 303.450 2.725 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000346374800 428147799 /nfs/dbraw/zinc/14/77/99/428147799.db2.gz BMJCPZGBDREXHA-HOCLYGCPSA-N 1 3 303.450 2.725 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cn1 ZINC000414124208 428210709 /nfs/dbraw/zinc/21/07/09/428210709.db2.gz PFNULSHGRKVQOZ-WBVHZDCISA-N 1 3 305.466 2.731 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000414124208 428210713 /nfs/dbraw/zinc/21/07/13/428210713.db2.gz PFNULSHGRKVQOZ-WBVHZDCISA-N 1 3 305.466 2.731 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000414124208 428210716 /nfs/dbraw/zinc/21/07/16/428210716.db2.gz PFNULSHGRKVQOZ-WBVHZDCISA-N 1 3 305.466 2.731 20 0 DFADHO C[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000414140135 428218107 /nfs/dbraw/zinc/21/81/07/428218107.db2.gz IUPLBFFCHPWLNZ-QFBILLFUSA-N 1 3 316.489 2.990 20 0 DFADHO C[C@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000414140135 428218114 /nfs/dbraw/zinc/21/81/14/428218114.db2.gz IUPLBFFCHPWLNZ-QFBILLFUSA-N 1 3 316.489 2.990 20 0 DFADHO Cc1cn[nH]c1CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000377764860 428221375 /nfs/dbraw/zinc/22/13/75/428221375.db2.gz ZKTXPZHILCVTBK-OKZBNKHCSA-N 1 3 310.445 2.718 20 0 DFADHO Cc1cn[nH]c1CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000377764860 428221379 /nfs/dbraw/zinc/22/13/79/428221379.db2.gz ZKTXPZHILCVTBK-OKZBNKHCSA-N 1 3 310.445 2.718 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccncc1OCCN(C)C)[C@@H]1CC1(C)C ZINC000414165584 428222549 /nfs/dbraw/zinc/22/25/49/428222549.db2.gz PXEKOQBPJNOMDG-JKSUJKDBSA-N 1 3 305.466 2.936 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]CCCN2CCC(C)CC2)cn1 ZINC000414063816 428197454 /nfs/dbraw/zinc/19/74/54/428197454.db2.gz MXRZCUYUEWEVHD-INIZCTEOSA-N 1 3 305.466 2.733 20 0 DFADHO COc1ccc(C[C@H](C)NCCC[NH+]2CCC(C)CC2)cn1 ZINC000414063816 428197455 /nfs/dbraw/zinc/19/74/55/428197455.db2.gz MXRZCUYUEWEVHD-INIZCTEOSA-N 1 3 305.466 2.733 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]CCCN2CCCC[C@@H]2C)cn1 ZINC000414075178 428197888 /nfs/dbraw/zinc/19/78/88/428197888.db2.gz XKUNWCLJLAFYAC-HOTGVXAUSA-N 1 3 305.466 2.875 20 0 DFADHO COc1ccc(C[C@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000414075178 428197892 /nfs/dbraw/zinc/19/78/92/428197892.db2.gz XKUNWCLJLAFYAC-HOTGVXAUSA-N 1 3 305.466 2.875 20 0 DFADHO COc1ccc(C[C@H](C)NCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000414075178 428197896 /nfs/dbraw/zinc/19/78/96/428197896.db2.gz XKUNWCLJLAFYAC-HOTGVXAUSA-N 1 3 305.466 2.875 20 0 DFADHO CC1(C)CN(C/C=C/C[N@@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000377693083 428199047 /nfs/dbraw/zinc/19/90/47/428199047.db2.gz CFDHABDJBUSEFV-AATRIKPKSA-N 1 3 310.482 2.544 20 0 DFADHO CC1(C)CN(C/C=C/C[N@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000377693083 428199054 /nfs/dbraw/zinc/19/90/54/428199054.db2.gz CFDHABDJBUSEFV-AATRIKPKSA-N 1 3 310.482 2.544 20 0 DFADHO CC(C)[NH+]1CCC(N[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000414349134 428265416 /nfs/dbraw/zinc/26/54/16/428265416.db2.gz OVRBQUJZJLOIFW-QGZVFWFLSA-N 1 3 305.441 2.867 20 0 DFADHO CC[N@@H+]1CCc2c(cccc2NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000370686083 428272426 /nfs/dbraw/zinc/27/24/26/428272426.db2.gz NUFAWOHYHSSJJB-QGZVFWFLSA-N 1 3 303.450 2.589 20 0 DFADHO CC[N@H+]1CCc2c(cccc2NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000370686083 428272431 /nfs/dbraw/zinc/27/24/31/428272431.db2.gz NUFAWOHYHSSJJB-QGZVFWFLSA-N 1 3 303.450 2.589 20 0 DFADHO Cc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1C ZINC000370695411 428275407 /nfs/dbraw/zinc/27/54/07/428275407.db2.gz AFFIDKZXOIEKPC-QUCCMNQESA-N 1 3 315.505 2.761 20 0 DFADHO CCc1ncc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000414280759 428249735 /nfs/dbraw/zinc/24/97/35/428249735.db2.gz DTGHCWAZRUFHFW-HOTGVXAUSA-N 1 3 304.482 2.887 20 0 DFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000356607746 428252540 /nfs/dbraw/zinc/25/25/40/428252540.db2.gz YEJXJUWBDXVYJM-WBVHZDCISA-N 1 3 309.498 2.630 20 0 DFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000356607746 428252543 /nfs/dbraw/zinc/25/25/43/428252543.db2.gz YEJXJUWBDXVYJM-WBVHZDCISA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1F ZINC000370624820 428256797 /nfs/dbraw/zinc/25/67/97/428256797.db2.gz QBDLXNOYFMJQOT-ZFWWWQNUSA-N 1 3 323.431 2.784 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCCc4ccccc43)C2)CC1 ZINC000370637902 428259652 /nfs/dbraw/zinc/25/96/52/428259652.db2.gz VVEODUGCJMZBHO-PXNSSMCTSA-N 1 3 313.489 2.822 20 0 DFADHO C[NH2+]CCC1CCN(Cc2ccccc2OCCOC)CC1 ZINC000346657888 428261504 /nfs/dbraw/zinc/26/15/04/428261504.db2.gz HERXKGPHVDTICR-UHFFFAOYSA-N 1 3 306.450 2.533 20 0 DFADHO CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000360572432 428355404 /nfs/dbraw/zinc/35/54/04/428355404.db2.gz KHHSRUXFIYYZIC-DLBZAZTESA-N 1 3 316.449 2.609 20 0 DFADHO Cc1csc(N2CCC[N@@H+](CC[C@@H]3CCCCN3C)CC2)n1 ZINC000378125367 428314972 /nfs/dbraw/zinc/31/49/72/428314972.db2.gz IBZMAVBEYFEBFZ-INIZCTEOSA-N 1 3 322.522 2.838 20 0 DFADHO Cc1csc(N2CCC[N@H+](CC[C@@H]3CCCCN3C)CC2)n1 ZINC000378125367 428314979 /nfs/dbraw/zinc/31/49/79/428314979.db2.gz IBZMAVBEYFEBFZ-INIZCTEOSA-N 1 3 322.522 2.838 20 0 DFADHO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000352972782 428331711 /nfs/dbraw/zinc/33/17/11/428331711.db2.gz YMWMHKZCAFYWJD-KVPLUYHFSA-N 1 3 315.505 2.827 20 0 DFADHO C[C@](O)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000356838362 428333060 /nfs/dbraw/zinc/33/30/60/428333060.db2.gz ILTDXSOJMQTPKJ-FFGOWVMKSA-N 1 3 314.473 2.648 20 0 DFADHO CCN1CCC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356842554 428333634 /nfs/dbraw/zinc/33/36/34/428333634.db2.gz KUFOUFTUJZEEQU-AWEZNQCLSA-N 1 3 321.431 2.725 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1OCCN(C)C)[C@@H]1CCCOC1 ZINC000356848841 428337162 /nfs/dbraw/zinc/33/71/62/428337162.db2.gz PDQFDEUXSJCSEQ-DOTOQJQBSA-N 1 3 306.450 2.532 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@@H]12 ZINC000346843138 428341191 /nfs/dbraw/zinc/34/11/91/428341191.db2.gz XFQQMZIWVWNRDO-APHBMKBZSA-N 1 3 316.836 2.899 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@H]12 ZINC000346843148 428341588 /nfs/dbraw/zinc/34/15/88/428341588.db2.gz XFQQMZIWVWNRDO-UHOFOFEASA-N 1 3 316.836 2.899 20 0 DFADHO CC(C)[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000356881643 428347229 /nfs/dbraw/zinc/34/72/29/428347229.db2.gz HSRLOKLIBHSRJW-JKSUJKDBSA-N 1 3 314.433 2.900 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(OCc4ccccn4)c3)C[C@@H]12 ZINC000346854226 428347799 /nfs/dbraw/zinc/34/77/99/428347799.db2.gz TZMKRQZENQVNRB-NSISKUIASA-N 1 3 323.440 2.830 20 0 DFADHO O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCCN1C1CCCC1 ZINC000357112584 428392437 /nfs/dbraw/zinc/39/24/37/428392437.db2.gz CSYYDIPUKZRQAC-SFHVURJKSA-N 1 3 321.509 2.776 20 0 DFADHO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414751215 428392535 /nfs/dbraw/zinc/39/25/35/428392535.db2.gz AAMGUXZLMNCWPH-LAQRGFTBSA-N 1 3 316.445 2.753 20 0 DFADHO COc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(Cl)c1OC ZINC000414769451 428398658 /nfs/dbraw/zinc/39/86/58/428398658.db2.gz NMFGCINHRJICHF-OKILXGFUSA-N 1 3 324.852 2.789 20 0 DFADHO COc1cccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1OC(C)C ZINC000414769862 428399151 /nfs/dbraw/zinc/39/91/51/428399151.db2.gz NXJIDQOTULHKRJ-IYBDPMFKSA-N 1 3 318.461 2.914 20 0 DFADHO C[C@@H](C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000414774063 428402362 /nfs/dbraw/zinc/40/23/62/428402362.db2.gz FDPLXHZQGAUMCE-HOCLYGCPSA-N 1 3 306.425 2.617 20 0 DFADHO C[C@@H](C[N@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000414774063 428402369 /nfs/dbraw/zinc/40/23/69/428402369.db2.gz FDPLXHZQGAUMCE-HOCLYGCPSA-N 1 3 306.425 2.617 20 0 DFADHO CCC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)C1CCNCC1 ZINC000347001322 428402806 /nfs/dbraw/zinc/40/28/06/428402806.db2.gz HNKVGTFKMSQWQM-UHFFFAOYSA-N 1 3 315.465 2.976 20 0 DFADHO CCC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)C1CCNCC1 ZINC000347001322 428402811 /nfs/dbraw/zinc/40/28/11/428402811.db2.gz HNKVGTFKMSQWQM-UHFFFAOYSA-N 1 3 315.465 2.976 20 0 DFADHO Clc1ccc2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2c1 ZINC000414780364 428404282 /nfs/dbraw/zinc/40/42/82/428404282.db2.gz LKLNUTKXLQLKGE-KBPBESRZSA-N 1 3 318.852 2.809 20 0 DFADHO CCSc1cccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414782024 428406069 /nfs/dbraw/zinc/40/60/69/428406069.db2.gz NXACQYVFQAHLFC-MRXNPFEDSA-N 1 3 320.502 2.986 20 0 DFADHO CCOc1c(Cl)cc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000414789865 428409492 /nfs/dbraw/zinc/40/94/92/428409492.db2.gz FXKYUABOJBKFJS-TZMCWYRMSA-N 1 3 312.841 2.964 20 0 DFADHO c1c(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000414789959 428409994 /nfs/dbraw/zinc/40/99/94/428409994.db2.gz ZCTUKYDKRXJXPW-IAGOWNOFSA-N 1 3 310.445 2.898 20 0 DFADHO CC(C)[C@@H](N)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414790004 428410064 /nfs/dbraw/zinc/41/00/64/428410064.db2.gz GGGSJAXJFAPBEK-KRWDZBQOSA-N 1 3 309.885 2.877 20 0 DFADHO CC(C)[C@@H]([NH3+])CNC1CCN(Cc2ccccc2Cl)CC1 ZINC000414790004 428410068 /nfs/dbraw/zinc/41/00/68/428410068.db2.gz GGGSJAXJFAPBEK-KRWDZBQOSA-N 1 3 309.885 2.877 20 0 DFADHO CC[C@H](C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000414786285 428410665 /nfs/dbraw/zinc/41/06/65/428410665.db2.gz UMRZBGBLBPWKOV-AEFFLSMTSA-N 1 3 302.462 2.868 20 0 DFADHO CC[C@H](C[N@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000414786285 428410670 /nfs/dbraw/zinc/41/06/70/428410670.db2.gz UMRZBGBLBPWKOV-AEFFLSMTSA-N 1 3 302.462 2.868 20 0 DFADHO COc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000414790101 428412572 /nfs/dbraw/zinc/41/25/72/428412572.db2.gz ZLEDZNBCYRDCIR-HUUCEWRRSA-N 1 3 304.434 2.525 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCC[C@@H]1CN ZINC000414794900 428412816 /nfs/dbraw/zinc/41/28/16/428412816.db2.gz GDJGWKBMGNUTEL-JMSVASOKSA-N 1 3 309.841 2.774 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000414794900 428412820 /nfs/dbraw/zinc/41/28/20/428412820.db2.gz GDJGWKBMGNUTEL-JMSVASOKSA-N 1 3 309.841 2.774 20 0 DFADHO CC(C)[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(F)c(F)c1 ZINC000342268639 428375851 /nfs/dbraw/zinc/37/58/51/428375851.db2.gz QHDLWTSDHMQNQR-YOEHRIQHSA-N 1 3 312.404 2.708 20 0 DFADHO CCCNC(=O)[C@H](C)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357070731 428378981 /nfs/dbraw/zinc/37/89/81/428378981.db2.gz APUTUWBAEYKRLR-INIZCTEOSA-N 1 3 323.525 2.735 20 0 DFADHO CCCNC(=O)[C@H](C)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357070731 428378986 /nfs/dbraw/zinc/37/89/86/428378986.db2.gz APUTUWBAEYKRLR-INIZCTEOSA-N 1 3 323.525 2.735 20 0 DFADHO CN(CCCc1ccccc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371258189 428380183 /nfs/dbraw/zinc/38/01/83/428380183.db2.gz LRXJEZMPXPQZSM-HXUWFJFHSA-N 1 3 315.505 2.720 20 0 DFADHO CN(CCCc1ccccc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371258189 428380191 /nfs/dbraw/zinc/38/01/91/428380191.db2.gz LRXJEZMPXPQZSM-HXUWFJFHSA-N 1 3 315.505 2.720 20 0 DFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2CCC2CCCC2)C1 ZINC000414715439 428386358 /nfs/dbraw/zinc/38/63/58/428386358.db2.gz WUGCARZAYWNWCL-ROUUACIJSA-N 1 3 321.509 2.619 20 0 DFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2CCC2CCCC2)C1 ZINC000414715439 428386362 /nfs/dbraw/zinc/38/63/62/428386362.db2.gz WUGCARZAYWNWCL-ROUUACIJSA-N 1 3 321.509 2.619 20 0 DFADHO C[N@H+](CCCN1CCCC1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000347076176 428434338 /nfs/dbraw/zinc/43/43/38/428434338.db2.gz BGDKVUUWGJAMDJ-QGZVFWFLSA-N 1 3 310.869 2.661 20 0 DFADHO C[N@@H+](CCCN1CCCC1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000347076176 428434341 /nfs/dbraw/zinc/43/43/41/428434341.db2.gz BGDKVUUWGJAMDJ-QGZVFWFLSA-N 1 3 310.869 2.661 20 0 DFADHO c1ccc([C@@H]2C[C@@H]([NH2+]CCCNCc3cccnc3)CCN2)cc1 ZINC000414857573 428436088 /nfs/dbraw/zinc/43/60/88/428436088.db2.gz FBARIDWTJXCFDX-PMACEKPBSA-N 1 3 324.472 2.644 20 0 DFADHO COCCOc1cccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000347089337 428440384 /nfs/dbraw/zinc/44/03/84/428440384.db2.gz DRZPEEDRYJEBCL-LJQANCHMSA-N 1 3 318.461 2.676 20 0 DFADHO C[C@@H]([NH3+])C1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000347094547 428441581 /nfs/dbraw/zinc/44/15/81/428441581.db2.gz HNPQFSQRDVLQRP-GFCCVEGCSA-N 1 3 302.447 2.764 20 0 DFADHO C[C@@H](Cc1ccc(Br)c(F)c1)NC[C@H]([NH3+])C1CC1 ZINC000414883305 428444835 /nfs/dbraw/zinc/44/48/35/428444835.db2.gz DIURWZJNOUKGPD-XPTSAGLGSA-N 1 3 315.230 2.846 20 0 DFADHO C[C@@H](CN)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414883489 428445184 /nfs/dbraw/zinc/44/51/84/428445184.db2.gz VCNOBZMBZAKLLV-LBPRGKRZSA-N 1 3 313.848 2.628 20 0 DFADHO N[C@@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000414889763 428446614 /nfs/dbraw/zinc/44/66/14/428446614.db2.gz LRVCXSRTHKKWTE-KRWDZBQOSA-N 1 3 307.869 2.631 20 0 DFADHO [NH3+][C@@H](CNC1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000414889763 428446618 /nfs/dbraw/zinc/44/66/18/428446618.db2.gz LRVCXSRTHKKWTE-KRWDZBQOSA-N 1 3 307.869 2.631 20 0 DFADHO C[C@H]([NH3+])C1CCN(Cc2cn(C)nc2-c2cccs2)CC1 ZINC000347106863 428447644 /nfs/dbraw/zinc/44/76/44/428447644.db2.gz NVHGQSOOZSSTQJ-LBPRGKRZSA-N 1 3 304.463 2.708 20 0 DFADHO C[C@H](CC[NH2+]C[C@](C)(O)C(F)(F)F)N(C)Cc1ccccc1 ZINC000379656173 428450680 /nfs/dbraw/zinc/45/06/80/428450680.db2.gz OJBCLMKIFQUJRZ-HIFRSBDPSA-N 1 3 318.383 2.800 20 0 DFADHO CC(C)([NH3+])CCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379660174 428451472 /nfs/dbraw/zinc/45/14/72/428451472.db2.gz BUVLSGBPVLYSIV-QGZVFWFLSA-N 1 3 317.477 2.675 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000414904035 428451999 /nfs/dbraw/zinc/45/19/99/428451999.db2.gz JLQLXZHINLSDED-MAUKXSAKSA-N 1 3 303.450 2.691 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000414904035 428452005 /nfs/dbraw/zinc/45/20/05/428452005.db2.gz JLQLXZHINLSDED-MAUKXSAKSA-N 1 3 303.450 2.691 20 0 DFADHO CC1(C)CC[C@@H]([NH2+]C[C@@H](O)CN2CCCC2)c2ccccc21 ZINC000360834572 428456631 /nfs/dbraw/zinc/45/66/31/428456631.db2.gz JBCSYFRGSXSYCJ-CRAIPNDOSA-N 1 3 302.462 2.845 20 0 DFADHO COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414920067 428457532 /nfs/dbraw/zinc/45/75/32/428457532.db2.gz YLCKYERDFOGZKZ-ROUUACIJSA-N 1 3 308.441 2.753 20 0 DFADHO COCC[C@@H](Cc1cccc(F)c1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414920067 428457534 /nfs/dbraw/zinc/45/75/34/428457534.db2.gz YLCKYERDFOGZKZ-ROUUACIJSA-N 1 3 308.441 2.753 20 0 DFADHO CC(C)n1ncc2cc(CN3CCC([C@@H](C)[NH3+])CC3)cnc21 ZINC000347125450 428458213 /nfs/dbraw/zinc/45/82/13/428458213.db2.gz YGXOFIWGCMEKAE-CYBMUJFWSA-N 1 3 301.438 2.571 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000414936679 428462314 /nfs/dbraw/zinc/46/23/14/428462314.db2.gz DBVFCUBNAPPEBF-FVQBIDKESA-N 1 3 306.450 2.755 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000414947819 428466619 /nfs/dbraw/zinc/46/66/19/428466619.db2.gz XBYMIGCEJUBFJO-XEZPLFJOSA-N 1 3 323.868 2.953 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)cc1Cl ZINC000414947819 428466623 /nfs/dbraw/zinc/46/66/23/428466623.db2.gz XBYMIGCEJUBFJO-XEZPLFJOSA-N 1 3 323.868 2.953 20 0 DFADHO COCC1(CNCc2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000414952905 428467979 /nfs/dbraw/zinc/46/79/79/428467979.db2.gz ITZXQVIDOSMRTP-UHFFFAOYSA-N 1 3 300.805 2.585 20 0 DFADHO CCOc1cc(CN[C@H]2CCC[C@@H]2C[NH3+])cc(Cl)c1OC ZINC000414801802 428417208 /nfs/dbraw/zinc/41/72/08/428417208.db2.gz UVKGALCMBWHYGJ-OCCSQVGLSA-N 1 3 312.841 2.964 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(Br)c(F)c1 ZINC000414811863 428418713 /nfs/dbraw/zinc/41/87/13/428418713.db2.gz WTYQGSZVXPHGIL-GXFFZTMASA-N 1 3 301.203 2.805 20 0 DFADHO CCCC[C@H](CN)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414808237 428419417 /nfs/dbraw/zinc/41/94/17/428419417.db2.gz DXDXYNDHZHMUEL-LJQANCHMSA-N 1 3 303.494 2.801 20 0 DFADHO CSc1cc(Br)ccc1C[NH2+][C@@H](CN)C1CC1 ZINC000414812216 428419848 /nfs/dbraw/zinc/41/98/48/428419848.db2.gz XFUJGTLJHJIMSY-LBPRGKRZSA-N 1 3 315.280 2.998 20 0 DFADHO CCCC[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000414816778 428420772 /nfs/dbraw/zinc/42/07/72/428420772.db2.gz QPHFBIODXSWBNZ-DZGCQCFKSA-N 1 3 307.438 2.519 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCCNC2)cc1OC ZINC000414820462 428421497 /nfs/dbraw/zinc/42/14/97/428421497.db2.gz JLXIJKAHCFVVBB-SQWLQELKSA-N 1 3 306.450 2.613 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414820462 428421500 /nfs/dbraw/zinc/42/15/00/428421500.db2.gz JLXIJKAHCFVVBB-SQWLQELKSA-N 1 3 306.450 2.613 20 0 DFADHO CSC1(CNCc2cn(C(C)C)nc2C)CC[NH+](C)CC1 ZINC000353197504 428424697 /nfs/dbraw/zinc/42/46/97/428424697.db2.gz WQAKOXYUUQKDSZ-UHFFFAOYSA-N 1 3 310.511 2.689 20 0 DFADHO CSC1(C[NH2+]Cc2cn(C(C)C)nc2C)CCN(C)CC1 ZINC000353197504 428424701 /nfs/dbraw/zinc/42/47/01/428424701.db2.gz WQAKOXYUUQKDSZ-UHFFFAOYSA-N 1 3 310.511 2.689 20 0 DFADHO Clc1ccccc1CN1CCC(NC[C@@H]2CCC[NH2+]2)CC1 ZINC000414821367 428424779 /nfs/dbraw/zinc/42/47/79/428424779.db2.gz CAVUKFVVLXMLOM-INIZCTEOSA-N 1 3 307.869 2.646 20 0 DFADHO Clc1ccc(CN2CCC([NH2+]C[C@H]3CCCNC3)CC2)cc1 ZINC000414829101 428426282 /nfs/dbraw/zinc/42/62/82/428426282.db2.gz NCBRXZHXAAMHRV-INIZCTEOSA-N 1 3 321.896 2.894 20 0 DFADHO COc1ccc(CC[C@H](C)NCC2([NH3+])CCCCC2)cc1O ZINC000414836041 428428176 /nfs/dbraw/zinc/42/81/76/428428176.db2.gz FDJSBERKODUGQC-AWEZNQCLSA-N 1 3 306.450 2.973 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@@H](C[NH3+])CC(C)C ZINC000414835782 428428378 /nfs/dbraw/zinc/42/83/78/428428378.db2.gz HUQLEIGGZSDTSW-GOEBONIOSA-N 1 3 305.466 2.929 20 0 DFADHO COc1ccc(CC[C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1O ZINC000414835460 428428488 /nfs/dbraw/zinc/42/84/88/428428488.db2.gz UEDICVWSIAHENL-NTQSIJHJSA-N 1 3 304.434 2.595 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NC[C@H]2CCC[NH2+]C2)c1C ZINC000414841041 428431230 /nfs/dbraw/zinc/43/12/30/428431230.db2.gz YUCBOFGDNFDRBR-HOCLYGCPSA-N 1 3 303.450 2.610 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCNC2)c1C ZINC000414841041 428431234 /nfs/dbraw/zinc/43/12/34/428431234.db2.gz YUCBOFGDNFDRBR-HOCLYGCPSA-N 1 3 303.450 2.610 20 0 DFADHO COc1cccc(CNCC[C@@H]2CCC[NH2+]C2)c1OC(F)F ZINC000414854512 428432601 /nfs/dbraw/zinc/43/26/01/428432601.db2.gz UJHPGJROPYELLR-LBPRGKRZSA-N 1 3 314.376 2.776 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])CC(C)C)c(C)c1 ZINC000414851182 428433175 /nfs/dbraw/zinc/43/31/75/428433175.db2.gz OVGASWFVOZSACA-HOTGVXAUSA-N 1 3 305.466 2.984 20 0 DFADHO COCC1(CNCc2ccc(F)cc2Cl)CC[NH2+]CC1 ZINC000414978832 428480112 /nfs/dbraw/zinc/48/01/12/428480112.db2.gz TZZASNKPKKABHY-UHFFFAOYSA-N 1 3 300.805 2.585 20 0 DFADHO C[C@H]([NH3+])C1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000347173586 428480915 /nfs/dbraw/zinc/48/09/15/428480915.db2.gz PGPPKDZPBJHVEM-AWEZNQCLSA-N 1 3 312.417 2.828 20 0 DFADHO Cn1cc(-c2ccc(C[NH2+][C@@H]3CCNCC3(C)C)s2)cn1 ZINC000414980349 428480918 /nfs/dbraw/zinc/48/09/18/428480918.db2.gz WGEQSLDUNARVRB-OAHLLOKOSA-N 1 3 304.463 2.626 20 0 DFADHO COc1ccc(CNCCC[C@@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000414982802 428480969 /nfs/dbraw/zinc/48/09/69/428480969.db2.gz ZFPBBZZGPLNOOR-CYBMUJFWSA-N 1 3 312.841 2.979 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000360897339 428483399 /nfs/dbraw/zinc/48/33/99/428483399.db2.gz MAYSDQYRWKIVCX-IRXDYDNUSA-N 1 3 304.478 2.642 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000395368815 428494951 /nfs/dbraw/zinc/49/49/51/428494951.db2.gz OBZAYSHSELGOCX-IEBWSBKVSA-N 1 3 315.505 2.971 20 0 DFADHO c1cnn(-c2ccc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)c1 ZINC000415037624 428495086 /nfs/dbraw/zinc/49/50/86/428495086.db2.gz GWOYIIYFQSLYQP-HKUYNNGSSA-N 1 3 310.445 2.836 20 0 DFADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CNCCCO1 ZINC000415044582 428497200 /nfs/dbraw/zinc/49/72/00/428497200.db2.gz SFXSYKYEYQFFRB-SWLSCSKDSA-N 1 3 316.367 2.605 20 0 DFADHO CC[C@@H](CCc1ccc(Br)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415042319 428498886 /nfs/dbraw/zinc/49/88/86/428498886.db2.gz SGUSGERQVZIAPL-CAOSSQGBSA-N 1 3 323.278 2.968 20 0 DFADHO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CNCCCO1 ZINC000415048322 428500084 /nfs/dbraw/zinc/50/00/84/428500084.db2.gz XDHBQJFDZOGFPT-NWDGAFQWSA-N 1 3 317.260 2.893 20 0 DFADHO C[C@H]1C[C@H]([NH2+][C@H]2CCCN[C@H]2C)CCN1Cc1ccccc1 ZINC000396622645 428500934 /nfs/dbraw/zinc/50/09/34/428500934.db2.gz VGNBOPACNOYJAK-DKKFBQAASA-N 1 3 301.478 2.770 20 0 DFADHO NC[C@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C1CCCC1 ZINC000415066348 428505631 /nfs/dbraw/zinc/50/56/31/428505631.db2.gz OKQUVLSYZAQGSQ-KRWDZBQOSA-N 1 3 302.397 2.619 20 0 DFADHO COc1cccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000415066254 428507335 /nfs/dbraw/zinc/50/73/35/428507335.db2.gz OGFKHZJAIJXMBR-SUMWQHHRSA-N 1 3 319.449 2.519 20 0 DFADHO CCc1noc(-c2ccc(CCNC[C@H]([NH3+])CC(C)C)cc2)n1 ZINC000415073187 428508580 /nfs/dbraw/zinc/50/85/80/428508580.db2.gz AQMMJSKBYNBOHH-MRXNPFEDSA-N 1 3 316.449 2.805 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1nc(C)no1 ZINC000360957743 428510768 /nfs/dbraw/zinc/51/07/68/428510768.db2.gz MOJHKUSFTMHVQF-HOTGVXAUSA-N 1 3 308.470 2.801 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCCc1nc(C)no1 ZINC000360957743 428510770 /nfs/dbraw/zinc/51/07/70/428510770.db2.gz MOJHKUSFTMHVQF-HOTGVXAUSA-N 1 3 308.470 2.801 20 0 DFADHO C[N@H+](CCCCc1ccc(Cl)c(Cl)c1)C[C@@H](O)CN ZINC000415069612 428511022 /nfs/dbraw/zinc/51/10/22/428511022.db2.gz PGVLTECCNMNXMY-LBPRGKRZSA-N 1 3 305.249 2.568 20 0 DFADHO C[N@@H+](CCCCc1ccc(Cl)c(Cl)c1)C[C@@H](O)CN ZINC000415069612 428511026 /nfs/dbraw/zinc/51/10/26/428511026.db2.gz PGVLTECCNMNXMY-LBPRGKRZSA-N 1 3 305.249 2.568 20 0 DFADHO CN(CCCCc1ccc(Cl)c(Cl)c1)C[C@@H](O)C[NH3+] ZINC000415069612 428511028 /nfs/dbraw/zinc/51/10/28/428511028.db2.gz PGVLTECCNMNXMY-LBPRGKRZSA-N 1 3 305.249 2.568 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1C[C@H]1C ZINC000397555552 428511445 /nfs/dbraw/zinc/51/14/45/428511445.db2.gz LGVMNTSVDNHYNC-RYRKJORJSA-N 1 3 302.462 2.648 20 0 DFADHO C[C@H](c1ccncc1)N1CCC(NCC[NH2+]C(C)(C)C)CC1 ZINC000415083162 428511876 /nfs/dbraw/zinc/51/18/76/428511876.db2.gz MZPVHBSVFLGKPO-OAHLLOKOSA-N 1 3 304.482 2.585 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+]C[C@@H]2CCCNC2)cc1OC ZINC000415078469 428512096 /nfs/dbraw/zinc/51/20/96/428512096.db2.gz IPTAYNANUZAJLR-CQSZACIVSA-N 1 3 306.450 2.571 20 0 DFADHO COc1ccc(C(C)(C)CNC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000415078469 428512102 /nfs/dbraw/zinc/51/21/02/428512102.db2.gz IPTAYNANUZAJLR-CQSZACIVSA-N 1 3 306.450 2.571 20 0 DFADHO CCc1noc(-c2ccc(CC[NH2+]CCNC(C)(C)C)cc2)n1 ZINC000415083255 428512735 /nfs/dbraw/zinc/51/27/35/428512735.db2.gz MTNNZUQMZJCGCT-UHFFFAOYSA-N 1 3 316.449 2.819 20 0 DFADHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CC1 ZINC000397498124 428513171 /nfs/dbraw/zinc/51/31/71/428513171.db2.gz SHLHPEBGTDLMEL-GOSISDBHSA-N 1 3 302.462 2.792 20 0 DFADHO Clc1ccccc1N1CCC[C@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC000415085202 428516455 /nfs/dbraw/zinc/51/64/55/428516455.db2.gz QMQRHZFDBAZUMC-CABCVRRESA-N 1 3 307.869 2.898 20 0 DFADHO Brc1cccc(OCCN[C@H]2CCC[NH2+]CC2)c1 ZINC000415085485 428516912 /nfs/dbraw/zinc/51/69/12/428516912.db2.gz SNGQPYKRTRGXDK-ZDUSSCGKSA-N 1 3 313.239 2.560 20 0 DFADHO CN1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@H]2CCC[C@H]21 ZINC000353392376 428518550 /nfs/dbraw/zinc/51/85/50/428518550.db2.gz GIXFAAMXRQXSHF-VNQPRFMTSA-N 1 3 310.388 2.806 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOc2ccc(F)cc2F)[C@H]2CCC[C@H]21 ZINC000353392376 428518555 /nfs/dbraw/zinc/51/85/55/428518555.db2.gz GIXFAAMXRQXSHF-VNQPRFMTSA-N 1 3 310.388 2.806 20 0 DFADHO C[N@H+]1CC[C@H](NCCOc2ccc(F)cc2F)[C@H]2CCC[C@H]21 ZINC000353392376 428518559 /nfs/dbraw/zinc/51/85/59/428518559.db2.gz GIXFAAMXRQXSHF-VNQPRFMTSA-N 1 3 310.388 2.806 20 0 DFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000415104126 428520629 /nfs/dbraw/zinc/52/06/29/428520629.db2.gz GOGOHFNRAQDQKF-PMACEKPBSA-N 1 3 314.473 2.894 20 0 DFADHO Fc1ccc(CNCC2CC[NH2+]CC2)c(Br)c1 ZINC000415105598 428521785 /nfs/dbraw/zinc/52/17/85/428521785.db2.gz MRGYOAACOWROCT-UHFFFAOYSA-N 1 3 301.203 2.677 20 0 DFADHO COc1cccc(OCCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415115236 428524879 /nfs/dbraw/zinc/52/48/79/428524879.db2.gz GRMJNJRIXBWYMP-OTWHNJEPSA-N 1 3 318.461 2.974 20 0 DFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000390749340 428473253 /nfs/dbraw/zinc/47/32/53/428473253.db2.gz RPYJJUTWKGFSOZ-DOTOQJQBSA-N 1 3 319.493 2.647 20 0 DFADHO CN(CCCN(C)Cc1ccco1)CC[C@H]1CCCC[N@@H+]1C ZINC000353545153 428588008 /nfs/dbraw/zinc/58/80/08/428588008.db2.gz RGGDMLIXGRFUCI-QGZVFWFLSA-N 1 3 307.482 2.908 20 0 DFADHO CN(CCCN(C)Cc1ccco1)CC[C@H]1CCCC[N@H+]1C ZINC000353545153 428588013 /nfs/dbraw/zinc/58/80/13/428588013.db2.gz RGGDMLIXGRFUCI-QGZVFWFLSA-N 1 3 307.482 2.908 20 0 DFADHO CN(CCC[N@H+](C)CC[C@H]1CCCCN1C)Cc1ccco1 ZINC000353545153 428588020 /nfs/dbraw/zinc/58/80/20/428588020.db2.gz RGGDMLIXGRFUCI-QGZVFWFLSA-N 1 3 307.482 2.908 20 0 DFADHO CN(CCC[N@@H+](C)CC[C@H]1CCCCN1C)Cc1ccco1 ZINC000353545153 428588024 /nfs/dbraw/zinc/58/80/24/428588024.db2.gz RGGDMLIXGRFUCI-QGZVFWFLSA-N 1 3 307.482 2.908 20 0 DFADHO C[C@H]1CC[C@H]([NH2+]CC2=CCN(C)CC2)CN1C(=O)OC(C)(C)C ZINC000399050130 428532229 /nfs/dbraw/zinc/53/22/29/428532229.db2.gz UTIOBKHBNLDFEB-HOCLYGCPSA-N 1 3 323.481 2.626 20 0 DFADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CN1 ZINC000399115720 428533820 /nfs/dbraw/zinc/53/38/20/428533820.db2.gz FWTQJHOOSFBEIN-OGWHTMIXSA-N 1 3 301.478 2.627 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353432878 428534309 /nfs/dbraw/zinc/53/43/09/428534309.db2.gz DAUUGWIXTHOOLE-FYQPLNBISA-N 1 3 313.489 2.723 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353432878 428534312 /nfs/dbraw/zinc/53/43/12/428534312.db2.gz DAUUGWIXTHOOLE-FYQPLNBISA-N 1 3 313.489 2.723 20 0 DFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353432878 428534316 /nfs/dbraw/zinc/53/43/16/428534316.db2.gz DAUUGWIXTHOOLE-FYQPLNBISA-N 1 3 313.489 2.723 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccsc1 ZINC000353449744 428539461 /nfs/dbraw/zinc/53/94/61/428539461.db2.gz SFWZOGTYMAJWSR-QBPKDAKJSA-N 1 3 307.507 2.813 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccsc1 ZINC000353449744 428539466 /nfs/dbraw/zinc/53/94/66/428539466.db2.gz SFWZOGTYMAJWSR-QBPKDAKJSA-N 1 3 307.507 2.813 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)c1ccsc1 ZINC000353449744 428539472 /nfs/dbraw/zinc/53/94/72/428539472.db2.gz SFWZOGTYMAJWSR-QBPKDAKJSA-N 1 3 307.507 2.813 20 0 DFADHO CC(C)[C@H](CN(C)Cc1ccccc1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400337541 428543413 /nfs/dbraw/zinc/54/34/13/428543413.db2.gz DRTCNDVXWIBTMX-NEWSRXKRSA-N 1 3 303.494 2.731 20 0 DFADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400449038 428546001 /nfs/dbraw/zinc/54/60/01/428546001.db2.gz OFKKIHMHFFMLPG-HOCLYGCPSA-N 1 3 323.481 2.626 20 0 DFADHO C[C@H](NCC1(N(C)Cc2ccccc2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000400514518 428546682 /nfs/dbraw/zinc/54/66/82/428546682.db2.gz GCIRKPNSHMPPIB-WMZOPIPTSA-N 1 3 301.478 2.771 20 0 DFADHO Brc1sccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401070447 428550024 /nfs/dbraw/zinc/55/00/24/428550024.db2.gz KCEZFJAFERBHJF-ADEWGFFLSA-N 1 3 315.280 2.988 20 0 DFADHO Brc1ccsc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401033260 428551303 /nfs/dbraw/zinc/55/13/03/428551303.db2.gz XWDYNFKOTALQDH-GMTAPVOTSA-N 1 3 315.280 2.988 20 0 DFADHO CCOc1ccccc1OCCN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404399310 428569097 /nfs/dbraw/zinc/56/90/97/428569097.db2.gz QBKXFLBRISRFQU-HOTGVXAUSA-N 1 3 306.450 2.913 20 0 DFADHO OC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C1CC1 ZINC000353509008 428570556 /nfs/dbraw/zinc/57/05/56/428570556.db2.gz IICYVWGMVHHIJI-FUMNGEBKSA-N 1 3 314.473 2.505 20 0 DFADHO C[C@H](CC1CCOCC1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000358044250 428578381 /nfs/dbraw/zinc/57/83/81/428578381.db2.gz IFNCRWCMNSROTA-IKGGRYGDSA-N 1 3 312.498 2.671 20 0 DFADHO Cc1ncc(CN2CC[C@H](Nc3cc[nH+]cc3C)[C@@H](C)C2)s1 ZINC000373517500 428596702 /nfs/dbraw/zinc/59/67/02/428596702.db2.gz DALYNJZZLYKKDR-GUYCJALGSA-N 1 3 316.474 2.899 20 0 DFADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000415905211 428622978 /nfs/dbraw/zinc/62/29/78/428622978.db2.gz TXTJZGJHRRZPLE-HNNXBMFYSA-N 1 3 318.465 2.648 20 0 DFADHO C[NH2+]Cc1cccc(NC(=O)NC[C@H](C)N2CCC(C)CC2)c1 ZINC000415919596 428626204 /nfs/dbraw/zinc/62/62/04/428626204.db2.gz NLPODAIJZCLJNE-HNNXBMFYSA-N 1 3 318.465 2.648 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000415956793 428635484 /nfs/dbraw/zinc/63/54/84/428635484.db2.gz OQVJLMYAMOPQIP-ZBFHGGJFSA-N 1 3 318.465 2.743 20 0 DFADHO C[NH2+]Cc1ccc(NC(=O)NC[C@H]2N(C)CCCC2(C)C)cc1 ZINC000416022813 428650756 /nfs/dbraw/zinc/65/07/56/428650756.db2.gz ZJSXFVDMPYEURK-MRXNPFEDSA-N 1 3 318.465 2.648 20 0 DFADHO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000362194712 428656777 /nfs/dbraw/zinc/65/67/77/428656777.db2.gz KBAJWKWKMDVAOD-DLBZAZTESA-N 1 3 310.482 2.915 20 0 DFADHO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000362194712 428656779 /nfs/dbraw/zinc/65/67/79/428656779.db2.gz KBAJWKWKMDVAOD-DLBZAZTESA-N 1 3 310.482 2.915 20 0 DFADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128679012 274210646 /nfs/dbraw/zinc/21/06/46/274210646.db2.gz VWGFWUZQAJIMJB-KRWDZBQOSA-N 1 3 321.484 2.764 20 0 DFADHO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)[C@@H]1CCCN(C2CCC2)C1 ZINC000185716285 274259981 /nfs/dbraw/zinc/25/99/81/274259981.db2.gz HMFHDOJPXZBETO-FCNFAXOHSA-N 1 3 314.473 2.887 20 0 DFADHO C[C@@H]1CN(c2ccnc3ccccc32)CC[N@@H+]1C1CCN(C)CC1 ZINC000374253979 428669709 /nfs/dbraw/zinc/66/97/09/428669709.db2.gz CIZXDSIQALYMLG-MRXNPFEDSA-N 1 3 324.472 2.840 20 0 DFADHO C[C@@H]1CN(c2ccnc3ccccc32)CC[N@H+]1C1CCN(C)CC1 ZINC000374253979 428669714 /nfs/dbraw/zinc/66/97/14/428669714.db2.gz CIZXDSIQALYMLG-MRXNPFEDSA-N 1 3 324.472 2.840 20 0 DFADHO Cc1cc(C)n(CC[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000348316427 428704489 /nfs/dbraw/zinc/70/44/89/428704489.db2.gz KDRJQZIDHVWDHR-WOJBJXKFSA-N 1 3 324.472 2.564 20 0 DFADHO CCCC[C@H](N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000353725484 428677839 /nfs/dbraw/zinc/67/78/39/428677839.db2.gz AIKHSRFOKSEUTF-KRWDZBQOSA-N 1 3 303.450 2.781 20 0 DFADHO CCN1CCCC[C@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416163550 428681053 /nfs/dbraw/zinc/68/10/53/428681053.db2.gz YFPXUXRXKQLWHU-ROUUACIJSA-N 1 3 317.477 2.670 20 0 DFADHO C1C[C@]2(CO1)C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)CCO2 ZINC000374525988 428694371 /nfs/dbraw/zinc/69/43/71/428694371.db2.gz DGCCLWYYPLLKDO-IEBWSBKVSA-N 1 3 322.493 2.711 20 0 DFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416232392 428694563 /nfs/dbraw/zinc/69/45/63/428694563.db2.gz FOAJIJHLEJJFCX-WBVHZDCISA-N 1 3 305.466 2.524 20 0 DFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416232392 428694566 /nfs/dbraw/zinc/69/45/66/428694566.db2.gz FOAJIJHLEJJFCX-WBVHZDCISA-N 1 3 305.466 2.524 20 0 DFADHO CCC[C@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353753638 428695868 /nfs/dbraw/zinc/69/58/68/428695868.db2.gz MCTLREPFHZMMQJ-SZMVWBNQSA-N 1 3 317.477 2.531 20 0 DFADHO CCC[C@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353753638 428695873 /nfs/dbraw/zinc/69/58/73/428695873.db2.gz MCTLREPFHZMMQJ-SZMVWBNQSA-N 1 3 317.477 2.531 20 0 DFADHO CCS[C@H]1CCC[C@@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000348476031 428753829 /nfs/dbraw/zinc/75/38/29/428753829.db2.gz FVJYGYYBQIECBN-IRXDYDNUSA-N 1 3 313.555 2.666 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCN2C[C@H](C)C[C@@H](C)C2)[C@H]1C ZINC000353934845 428785382 /nfs/dbraw/zinc/78/53/82/428785382.db2.gz YOZOQGHNYIHICC-ZBRFXRBCSA-N 1 3 324.509 2.922 20 0 DFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccccc1CN(C)C ZINC000362606380 428793522 /nfs/dbraw/zinc/79/35/22/428793522.db2.gz NWRAWGOBDPHUQE-CVEARBPZSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccccc1CN(C)C ZINC000362606380 428793529 /nfs/dbraw/zinc/79/35/29/428793529.db2.gz NWRAWGOBDPHUQE-CVEARBPZSA-N 1 3 317.477 2.598 20 0 DFADHO C[N@H+](CCc1ccncc1)CC1CCN(c2ccncc2)CC1 ZINC000374785372 428750506 /nfs/dbraw/zinc/75/05/06/428750506.db2.gz VLTZJLVZFCHBTB-UHFFFAOYSA-N 1 3 310.445 2.868 20 0 DFADHO C[N@@H+](CCc1ccncc1)CC1CCN(c2ccncc2)CC1 ZINC000374785372 428750511 /nfs/dbraw/zinc/75/05/11/428750511.db2.gz VLTZJLVZFCHBTB-UHFFFAOYSA-N 1 3 310.445 2.868 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2c(C)n[nH]c2C)CC1 ZINC000354078366 428850193 /nfs/dbraw/zinc/85/01/93/428850193.db2.gz QIXMZYOXZTXAIY-UHFFFAOYSA-N 1 3 322.497 2.597 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2c(C)n[nH]c2C)CC1 ZINC000354078366 428850198 /nfs/dbraw/zinc/85/01/98/428850198.db2.gz QIXMZYOXZTXAIY-UHFFFAOYSA-N 1 3 322.497 2.597 20 0 DFADHO COC[C@@H](C)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000375020245 428794880 /nfs/dbraw/zinc/79/48/80/428794880.db2.gz MQCAOYNKYLBSSN-GDBMZVCRSA-N 1 3 304.434 2.599 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)N(C)C ZINC000362806359 428806375 /nfs/dbraw/zinc/80/63/75/428806375.db2.gz NHHUAUPTOYIPCI-SJLPKXTDSA-N 1 3 303.494 2.827 20 0 DFADHO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC1CCN(CC)CC1 ZINC000411522185 428810296 /nfs/dbraw/zinc/81/02/96/428810296.db2.gz VRWYCAOGRMZWHO-NVXWUHKLSA-N 1 3 309.498 2.535 20 0 DFADHO Cc1cc2[nH]c(C[NH2+]C[C@@H](O)CN3CCCCC3)cc2c(C)c1 ZINC000359085405 428811022 /nfs/dbraw/zinc/81/10/22/428811022.db2.gz SZSFQAZMVCDHIZ-QGZVFWFLSA-N 1 3 315.461 2.721 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CNC(C)(C)c2cccs2)CC1 ZINC000411540708 428813816 /nfs/dbraw/zinc/81/38/16/428813816.db2.gz ZKPKPRBBJPDAAT-UHFFFAOYSA-N 1 3 323.506 2.562 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CC1CCN(C)CC1 ZINC000362952301 428820892 /nfs/dbraw/zinc/82/08/92/428820892.db2.gz QQGURKIKZLAWQC-ZWKOTPCHSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)[C@H]1CO ZINC000411620001 428824201 /nfs/dbraw/zinc/82/42/01/428824201.db2.gz PJIDKLZSVOEUPN-APWZRJJASA-N 1 3 302.462 2.875 20 0 DFADHO C[C@@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)[C@H]1CO ZINC000411620001 428824207 /nfs/dbraw/zinc/82/42/07/428824207.db2.gz PJIDKLZSVOEUPN-APWZRJJASA-N 1 3 302.462 2.875 20 0 DFADHO CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000359119209 428824586 /nfs/dbraw/zinc/82/45/86/428824586.db2.gz WWTWATKVUMOKRM-IRXDYDNUSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)CC(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000359119209 428824590 /nfs/dbraw/zinc/82/45/90/428824590.db2.gz WWTWATKVUMOKRM-IRXDYDNUSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)CC(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000359119209 428824595 /nfs/dbraw/zinc/82/45/95/428824595.db2.gz WWTWATKVUMOKRM-IRXDYDNUSA-N 1 3 321.509 2.630 20 0 DFADHO CCCNC(=O)CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359116186 428824687 /nfs/dbraw/zinc/82/46/87/428824687.db2.gz PNUKCBOIGRGMPU-AEFFLSMTSA-N 1 3 317.477 2.545 20 0 DFADHO CCCNC(=O)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359116186 428824693 /nfs/dbraw/zinc/82/46/93/428824693.db2.gz PNUKCBOIGRGMPU-AEFFLSMTSA-N 1 3 317.477 2.545 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000375229831 428827569 /nfs/dbraw/zinc/82/75/69/428827569.db2.gz POYJSAVQOQAWHL-QFBILLFUSA-N 1 3 310.445 2.707 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000375229831 428827574 /nfs/dbraw/zinc/82/75/74/428827574.db2.gz POYJSAVQOQAWHL-QFBILLFUSA-N 1 3 310.445 2.707 20 0 DFADHO C[NH+](C)CC1(CNC(=O)[C@@H]2CCCN2C2CCCC2)CCCC1 ZINC000354091144 428858303 /nfs/dbraw/zinc/85/83/03/428858303.db2.gz IHMZMBVSYFZGEY-KRWDZBQOSA-N 1 3 321.509 2.632 20 0 DFADHO CCO[C@@H]1COC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411805480 428860599 /nfs/dbraw/zinc/86/05/99/428860599.db2.gz TUEZWGLSYSBBBT-RTBURBONSA-N 1 3 318.461 2.566 20 0 DFADHO CC1(C)C[C@@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CO1 ZINC000417893145 428871099 /nfs/dbraw/zinc/87/10/99/428871099.db2.gz DVZLZNCQJVWEIS-QZTJIDSGSA-N 1 3 302.462 2.708 20 0 DFADHO CC1(C)C[C@@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000417893145 428871103 /nfs/dbraw/zinc/87/11/03/428871103.db2.gz DVZLZNCQJVWEIS-QZTJIDSGSA-N 1 3 302.462 2.708 20 0 DFADHO C[C@H]1CN(CC2CC[NH+](CCCCCF)CC2)C[C@H](C)O1 ZINC000375393123 428872978 /nfs/dbraw/zinc/87/29/78/428872978.db2.gz XLXCWLAVRJXZRW-HOTGVXAUSA-N 1 3 300.462 2.947 20 0 DFADHO CCN1CCN(c2ccccc2C[N@H+](C)CCCCOC)CC1 ZINC000418136423 428884783 /nfs/dbraw/zinc/88/47/83/428884783.db2.gz QMPUHLRHTAYHTD-UHFFFAOYSA-N 1 3 319.493 2.687 20 0 DFADHO CCN1CCN(c2ccccc2C[N@@H+](C)CCCCOC)CC1 ZINC000418136423 428884787 /nfs/dbraw/zinc/88/47/87/428884787.db2.gz QMPUHLRHTAYHTD-UHFFFAOYSA-N 1 3 319.493 2.687 20 0 DFADHO CCOC(=O)CC[N@@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000363437842 428913961 /nfs/dbraw/zinc/91/39/61/428913961.db2.gz YATTUCATZAMFKV-GOSISDBHSA-N 1 3 318.461 2.926 20 0 DFADHO CCOC(=O)CC[N@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000363437842 428913965 /nfs/dbraw/zinc/91/39/65/428913965.db2.gz YATTUCATZAMFKV-GOSISDBHSA-N 1 3 318.461 2.926 20 0 DFADHO CC(C)C[C@@H](CNC[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000354211699 428917737 /nfs/dbraw/zinc/91/77/37/428917737.db2.gz NMXCFJWKIRCLCR-RBUKOAKNSA-N 1 3 304.478 2.863 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC000354212006 428918647 /nfs/dbraw/zinc/91/86/47/428918647.db2.gz ZBHBPSCQTJEIRJ-RDJZCZTQSA-N 1 3 303.450 2.820 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC000354212006 428918653 /nfs/dbraw/zinc/91/86/53/428918653.db2.gz ZBHBPSCQTJEIRJ-RDJZCZTQSA-N 1 3 303.450 2.820 20 0 DFADHO C[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)N1CCCCCC1 ZINC000363598515 428950004 /nfs/dbraw/zinc/95/00/04/428950004.db2.gz AFWMQDLZRGFIEE-INIZCTEOSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC[C@H](O)C(F)(F)F)CC2)C1 ZINC000349331571 428964239 /nfs/dbraw/zinc/96/42/39/428964239.db2.gz LVAFNNYUHJDTMP-SNPRPXQTSA-N 1 3 322.415 2.932 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@H](O)C(F)(F)F)CC2)C1 ZINC000349331571 428964241 /nfs/dbraw/zinc/96/42/41/428964241.db2.gz LVAFNNYUHJDTMP-SNPRPXQTSA-N 1 3 322.415 2.932 20 0 DFADHO C[N@H+](CC1CCN(c2ccncc2)CC1)C[C@H]1CCCOC1 ZINC000354889289 429017607 /nfs/dbraw/zinc/01/76/07/429017607.db2.gz YWAZAVVHEIUOKZ-QGZVFWFLSA-N 1 3 303.450 2.656 20 0 DFADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)C[C@H]1CCCOC1 ZINC000354889289 429017612 /nfs/dbraw/zinc/01/76/12/429017612.db2.gz YWAZAVVHEIUOKZ-QGZVFWFLSA-N 1 3 303.450 2.656 20 0 DFADHO CN(C)CCN(Cc1cccs1)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000423776658 429017668 /nfs/dbraw/zinc/01/76/68/429017668.db2.gz QOLGIODDAKCUSL-HOCLYGCPSA-N 1 3 323.506 2.546 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423787305 429018401 /nfs/dbraw/zinc/01/84/01/429018401.db2.gz QYOOJLXBMLMXHF-ZXFUBFMLSA-N 1 3 315.461 2.916 20 0 DFADHO CN(C)[C@H](CC(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000433343966 429025897 /nfs/dbraw/zinc/02/58/97/429025897.db2.gz PSGPKOUSMSGTED-GOSISDBHSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)[C@H](CC(=O)NCC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000433343966 429025902 /nfs/dbraw/zinc/02/59/02/429025902.db2.gz PSGPKOUSMSGTED-GOSISDBHSA-N 1 3 317.477 2.670 20 0 DFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000433372200 429027440 /nfs/dbraw/zinc/02/74/40/429027440.db2.gz DGIJRDCFPDFGQE-QZTJIDSGSA-N 1 3 317.477 2.622 20 0 DFADHO C[C@@H]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H]1O ZINC000349360863 428973079 /nfs/dbraw/zinc/97/30/79/428973079.db2.gz AYZLCGKHYWZHJV-AEFFLSMTSA-N 1 3 304.478 2.847 20 0 DFADHO C[C@@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1O ZINC000349360863 428973084 /nfs/dbraw/zinc/97/30/84/428973084.db2.gz AYZLCGKHYWZHJV-AEFFLSMTSA-N 1 3 304.478 2.847 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc(CN(C)C)cc2)cc1 ZINC000423724472 429004000 /nfs/dbraw/zinc/00/40/00/429004000.db2.gz IHGSAWRTMQGVIJ-AWEZNQCLSA-N 1 3 311.429 2.698 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423728447 429005041 /nfs/dbraw/zinc/00/50/41/429005041.db2.gz MSDVUUYQMADBGR-TWMKSMIVSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423728447 429005045 /nfs/dbraw/zinc/00/50/45/429005045.db2.gz MSDVUUYQMADBGR-TWMKSMIVSA-N 1 3 321.509 2.628 20 0 DFADHO c1ccc([C@H]2C[C@@H]2CN2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000349561344 429005534 /nfs/dbraw/zinc/00/55/34/429005534.db2.gz IHUZYYGOZUWRDY-WOJBJXKFSA-N 1 3 313.489 2.504 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(CC)(CC)C[NH3+] ZINC000423743510 429007122 /nfs/dbraw/zinc/00/71/22/429007122.db2.gz MRVJBJJHKNLEAH-UHFFFAOYSA-N 1 3 319.493 2.862 20 0 DFADHO C[C@@H]([NH3+])CC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423757450 429011550 /nfs/dbraw/zinc/01/15/50/429011550.db2.gz MJOMLAMLPOSCQT-CQSZACIVSA-N 1 3 323.868 2.502 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000423768693 429013821 /nfs/dbraw/zinc/01/38/21/429013821.db2.gz FOSQBEBWUQWCDM-ZMSDIMECSA-N 1 3 305.466 2.559 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000423768693 429013827 /nfs/dbraw/zinc/01/38/27/429013827.db2.gz FOSQBEBWUQWCDM-ZMSDIMECSA-N 1 3 305.466 2.559 20 0 DFADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423774177 429014341 /nfs/dbraw/zinc/01/43/41/429014341.db2.gz KSVCYCXRWLMPCY-IAGOWNOFSA-N 1 3 317.477 2.655 20 0 DFADHO Cc1c([C@H](C)N[C@H](C)CCCC[NH3+])nnn1-c1ccc(F)cc1 ZINC000423439443 429089505 /nfs/dbraw/zinc/08/95/05/429089505.db2.gz SHDPFASPYJTQDO-OLZOCXBDSA-N 1 3 319.428 2.883 20 0 DFADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423457158 429090936 /nfs/dbraw/zinc/09/09/36/429090936.db2.gz FNSSKCKTIVSCIH-UBJUHAIHSA-N 1 3 301.203 2.901 20 0 DFADHO C[C@@H](N[C@@H](C)CCC[NH3+])c1ncc(Br)cc1F ZINC000423455704 429091312 /nfs/dbraw/zinc/09/13/12/429091312.db2.gz MZTROIYROIXLFH-DTWKUNHWSA-N 1 3 304.207 2.761 20 0 DFADHO C[C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H](C)O1 ZINC000423463355 429093385 /nfs/dbraw/zinc/09/33/85/429093385.db2.gz FTIQRCQLSYSUOC-FUCBWJFKSA-N 1 3 306.425 2.674 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@H](C)O1 ZINC000423463355 429093389 /nfs/dbraw/zinc/09/33/89/429093389.db2.gz FTIQRCQLSYSUOC-FUCBWJFKSA-N 1 3 306.425 2.674 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000423478627 429094373 /nfs/dbraw/zinc/09/43/73/429094373.db2.gz UEWNKEOKGWLAPN-NYCLONFESA-N 1 3 306.425 2.533 20 0 DFADHO COC(=O)Nc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000376063157 429051514 /nfs/dbraw/zinc/05/15/14/429051514.db2.gz XZLJNIBBYZUUKM-BBWFWOEESA-N 1 3 317.433 2.827 20 0 DFADHO COC(=O)Nc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000376063157 429051517 /nfs/dbraw/zinc/05/15/17/429051517.db2.gz XZLJNIBBYZUUKM-BBWFWOEESA-N 1 3 317.433 2.827 20 0 DFADHO COC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000376063157 429051522 /nfs/dbraw/zinc/05/15/22/429051522.db2.gz XZLJNIBBYZUUKM-BBWFWOEESA-N 1 3 317.433 2.827 20 0 DFADHO COc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1NC(C)=O ZINC000423277532 429056208 /nfs/dbraw/zinc/05/62/08/429056208.db2.gz OJVWDKZIBYGVQG-APHBMKBZSA-N 1 3 319.449 2.822 20 0 DFADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423285252 429057516 /nfs/dbraw/zinc/05/75/16/429057516.db2.gz YYLHRNWUNOSTPJ-KKUMJFAQSA-N 1 3 319.449 2.519 20 0 DFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423285252 429057518 /nfs/dbraw/zinc/05/75/18/429057518.db2.gz YYLHRNWUNOSTPJ-KKUMJFAQSA-N 1 3 319.449 2.519 20 0 DFADHO COc1ccc2c(c1)C[C@H](NCc1ccc([C@H](C)[NH3+])cc1)CO2 ZINC000423291782 429058896 /nfs/dbraw/zinc/05/88/96/429058896.db2.gz JVAAQYHKYYHQJS-GUYCJALGSA-N 1 3 312.413 2.808 20 0 DFADHO Cc1c([C@H](C)N[C@H]2CC[C@@H](C[NH3+])C2)nnn1-c1ccc(C)cc1 ZINC000423486324 429096923 /nfs/dbraw/zinc/09/69/23/429096923.db2.gz BUGDYNOZKUSXRU-IMJJTQAJSA-N 1 3 313.449 2.662 20 0 DFADHO CC(C)(C(=O)NCCC[NH+]1CCCCC1)[C@H](N)c1ccccc1 ZINC000423306619 429060064 /nfs/dbraw/zinc/06/00/64/429060064.db2.gz FDTOLVJBDHRKCO-QGZVFWFLSA-N 1 3 317.477 2.705 20 0 DFADHO CCc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000423310831 429060699 /nfs/dbraw/zinc/06/06/99/429060699.db2.gz SIIAXYGSFZUCHM-JLSDUUJJSA-N 1 3 319.493 2.587 20 0 DFADHO CC(C)(CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])N1CCCCC1 ZINC000376123492 429061201 /nfs/dbraw/zinc/06/12/01/429061201.db2.gz SPVFMGGNQIOEMP-RYTJFDOTSA-N 1 3 321.509 2.521 20 0 DFADHO CC1CC[NH+](Cc2ccc(NC(=O)[C@@H](N)C3CCC3)cc2)CC1 ZINC000423326636 429064908 /nfs/dbraw/zinc/06/49/08/429064908.db2.gz JKYNTZRQYLRNJQ-SFHVURJKSA-N 1 3 315.461 2.984 20 0 DFADHO Brc1ccccc1C[C@@H](NCC1C[NH2+]C1)C1CC1 ZINC000423323110 429065461 /nfs/dbraw/zinc/06/54/61/429065461.db2.gz OHJGUQBKSWNBSP-OAHLLOKOSA-N 1 3 309.251 2.579 20 0 DFADHO Brc1ccccc1C[C@@H]([NH2+]CC1CNC1)C1CC1 ZINC000423323110 429065464 /nfs/dbraw/zinc/06/54/64/429065464.db2.gz OHJGUQBKSWNBSP-OAHLLOKOSA-N 1 3 309.251 2.579 20 0 DFADHO C[C@H](CNC(=O)[C@H](N)CC1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000423343724 429069189 /nfs/dbraw/zinc/06/91/89/429069189.db2.gz XDKJXSABGZSVPN-BFYDXBDKSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H](CNC(=O)[C@H](N)CC1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000423343724 429069193 /nfs/dbraw/zinc/06/91/93/429069193.db2.gz XDKJXSABGZSVPN-BFYDXBDKSA-N 1 3 309.498 2.521 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@@]2(C)CCCNC2)c(C)c1OC ZINC000423349253 429069471 /nfs/dbraw/zinc/06/94/71/429069471.db2.gz VFSADICIXXRBBT-KUHUBIRLSA-N 1 3 320.477 2.923 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)c(C)c1OC ZINC000423349253 429069474 /nfs/dbraw/zinc/06/94/74/429069474.db2.gz VFSADICIXXRBBT-KUHUBIRLSA-N 1 3 320.477 2.923 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@]2(C)CCCNC2)c(C)c1OC ZINC000423349252 429069886 /nfs/dbraw/zinc/06/98/86/429069886.db2.gz VFSADICIXXRBBT-IFXJQAMLSA-N 1 3 320.477 2.923 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@]2(C)CCC[NH2+]C2)c(C)c1OC ZINC000423349252 429069890 /nfs/dbraw/zinc/06/98/90/429069890.db2.gz VFSADICIXXRBBT-IFXJQAMLSA-N 1 3 320.477 2.923 20 0 DFADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423348551 429070224 /nfs/dbraw/zinc/07/02/24/429070224.db2.gz UCVBBEKHMMKXNC-ZDUSSCGKSA-N 1 3 314.433 2.541 20 0 DFADHO Fc1ccc([C@@H](C[C@H]2CCCO2)NCC2=CC[NH2+]CC2)cc1 ZINC000423357316 429071340 /nfs/dbraw/zinc/07/13/40/429071340.db2.gz SFISSELZIMPNAN-QZTJIDSGSA-N 1 3 304.409 2.945 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](C)N2CCC(C)CC2)cc1 ZINC000423361267 429072887 /nfs/dbraw/zinc/07/28/87/429072887.db2.gz RJVCAGUITTZASO-GJZGRUSLSA-N 1 3 303.450 2.557 20 0 DFADHO COc1cc(C)c(C[C@H](C)NCC[C@H]2CCC[NH2+]2)cc1OC ZINC000423354325 429072915 /nfs/dbraw/zinc/07/29/15/429072915.db2.gz CRQCJJOWGGYDNN-GOEBONIOSA-N 1 3 306.450 2.675 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H](N)C2)c(C)c1OC ZINC000423371346 429074632 /nfs/dbraw/zinc/07/46/32/429074632.db2.gz QEZGCAWUPCKLNA-APHBMKBZSA-N 1 3 306.450 2.803 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1OC ZINC000423371346 429074634 /nfs/dbraw/zinc/07/46/34/429074634.db2.gz QEZGCAWUPCKLNA-APHBMKBZSA-N 1 3 306.450 2.803 20 0 DFADHO C[C@@H](CC(=O)N1CCCCCC1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423367544 429074817 /nfs/dbraw/zinc/07/48/17/429074817.db2.gz CQSZGUPQKQTHCD-HNNXBMFYSA-N 1 3 315.461 2.561 20 0 DFADHO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423367544 429074821 /nfs/dbraw/zinc/07/48/21/429074821.db2.gz CQSZGUPQKQTHCD-HNNXBMFYSA-N 1 3 315.461 2.561 20 0 DFADHO c1cc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc2c1CNC2 ZINC000423368976 429075065 /nfs/dbraw/zinc/07/50/65/429075065.db2.gz DPCKFTGVGOUUPG-VDZJLULYSA-N 1 3 300.446 2.975 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCN1 ZINC000423380805 429076369 /nfs/dbraw/zinc/07/63/69/429076369.db2.gz OCHLIODLSFJKKL-DOMZBBRYSA-N 1 3 309.404 2.664 20 0 DFADHO CCN1CCC[C@H]1CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424144299 429097925 /nfs/dbraw/zinc/09/79/25/429097925.db2.gz XDFFDRIIBUYCKN-IRXDYDNUSA-N 1 3 309.498 2.665 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000423397464 429078337 /nfs/dbraw/zinc/07/83/37/429078337.db2.gz SXHXEBNFHGSGPO-CWRNSKLLSA-N 1 3 301.434 2.734 20 0 DFADHO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C1 ZINC000423391748 429079040 /nfs/dbraw/zinc/07/90/40/429079040.db2.gz PREYUVOETXHLLG-MAUKXSAKSA-N 1 3 310.445 2.839 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423403416 429080631 /nfs/dbraw/zinc/08/06/31/429080631.db2.gz SEYSXCDFRRCQLB-LAVFITLUSA-N 1 3 302.462 2.958 20 0 DFADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423403416 429080634 /nfs/dbraw/zinc/08/06/34/429080634.db2.gz SEYSXCDFRRCQLB-LAVFITLUSA-N 1 3 302.462 2.958 20 0 DFADHO c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc2c1CNC2 ZINC000423405648 429080866 /nfs/dbraw/zinc/08/08/66/429080866.db2.gz YFRQNGDREHFRTL-BHIYHBOVSA-N 1 3 300.446 2.975 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1)C1CC1 ZINC000424047807 429081499 /nfs/dbraw/zinc/08/14/99/429081499.db2.gz XGPLKVGUPORYFQ-RDTXWAMCSA-N 1 3 315.461 2.541 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423408083 429081630 /nfs/dbraw/zinc/08/16/30/429081630.db2.gz WVJIKNMSKRKSMY-GDZNZVCISA-N 1 3 316.449 2.619 20 0 DFADHO COC[C@]1(C[NH2+][C@H](COCc2ccccc2)C(C)C)CCCN1 ZINC000423412866 429084162 /nfs/dbraw/zinc/08/41/62/429084162.db2.gz IXEWKGIXBLRKLE-RTBURBONSA-N 1 3 320.477 2.586 20 0 DFADHO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC[N@@H+]1C ZINC000423424655 429084919 /nfs/dbraw/zinc/08/49/19/429084919.db2.gz NGURVHAGXQIFHM-OIISXLGYSA-N 1 3 317.477 2.654 20 0 DFADHO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC[N@H+]1C ZINC000423424655 429084923 /nfs/dbraw/zinc/08/49/23/429084923.db2.gz NGURVHAGXQIFHM-OIISXLGYSA-N 1 3 317.477 2.654 20 0 DFADHO Cc1cc(CN)cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000424444448 429143279 /nfs/dbraw/zinc/14/32/79/429143279.db2.gz MTRQJUIKYFZMTE-UHFFFAOYSA-N 1 3 316.449 2.546 20 0 DFADHO CCN(CCC(=O)Nc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC000435614090 429152931 /nfs/dbraw/zinc/15/29/31/429152931.db2.gz LWQNDDWZJQBJJN-AWEZNQCLSA-N 1 3 307.413 2.618 20 0 DFADHO CC[N@H+](CCC(=O)Nc1ccccc1F)[C@H]1CCCNCC1 ZINC000435614090 429152935 /nfs/dbraw/zinc/15/29/35/429152935.db2.gz LWQNDDWZJQBJJN-AWEZNQCLSA-N 1 3 307.413 2.618 20 0 DFADHO CC[N@@H+](CCC(=O)Nc1ccccc1F)[C@H]1CCCNCC1 ZINC000435614090 429152937 /nfs/dbraw/zinc/15/29/37/429152937.db2.gz LWQNDDWZJQBJJN-AWEZNQCLSA-N 1 3 307.413 2.618 20 0 DFADHO CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H]1CNCCCO1 ZINC000423493252 429098919 /nfs/dbraw/zinc/09/89/19/429098919.db2.gz PTPIWYLFFGILPZ-NVXWUHKLSA-N 1 3 308.491 2.771 20 0 DFADHO CN(C)[C@H]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424139289 429099516 /nfs/dbraw/zinc/09/95/16/429099516.db2.gz ACUBYPMWQSUIKH-IRXDYDNUSA-N 1 3 309.498 2.617 20 0 DFADHO C[C@H](c1cccc(N2CCOCC2)c1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423506193 429101876 /nfs/dbraw/zinc/10/18/76/429101876.db2.gz HUVQWXSGUVFMTQ-GPMSIDNRSA-N 1 3 317.477 2.501 20 0 DFADHO C[C@H](c1cccc(N2CCOCC2)c1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423506193 429101880 /nfs/dbraw/zinc/10/18/80/429101880.db2.gz HUVQWXSGUVFMTQ-GPMSIDNRSA-N 1 3 317.477 2.501 20 0 DFADHO COc1cc(C)c([C@@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423504654 429102114 /nfs/dbraw/zinc/10/21/14/429102114.db2.gz GBRBWDJFGXXBCJ-HBUWYVDXSA-N 1 3 306.450 2.990 20 0 DFADHO COc1cc(C)c([C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1OC ZINC000423504654 429102120 /nfs/dbraw/zinc/10/21/20/429102120.db2.gz GBRBWDJFGXXBCJ-HBUWYVDXSA-N 1 3 306.450 2.990 20 0 DFADHO COc1cc(C)c([C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1OC ZINC000423504654 429102122 /nfs/dbraw/zinc/10/21/22/429102122.db2.gz GBRBWDJFGXXBCJ-HBUWYVDXSA-N 1 3 306.450 2.990 20 0 DFADHO C[C@@H]1CN(C2CCN(c3ccc(F)cc3F)CC2)C[C@@]1(C)C[NH3+] ZINC000423508938 429103711 /nfs/dbraw/zinc/10/37/11/429103711.db2.gz LRICUPYIPMMGGY-FZKQIMNGSA-N 1 3 323.431 2.850 20 0 DFADHO c1nc(C2CC[NH+](CCN3CCCCC3)CC2)n2c1CCCC2 ZINC000434675478 429105057 /nfs/dbraw/zinc/10/50/57/429105057.db2.gz ZGMUGGWKCIVZIE-UHFFFAOYSA-N 1 3 316.493 2.885 20 0 DFADHO CCO[C@@H]1C[C@@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)[C@H]1Oc1ccccc1 ZINC000423516425 429107166 /nfs/dbraw/zinc/10/71/66/429107166.db2.gz WVLCWBKHQCYFLT-WSIUPNEHSA-N 1 3 318.461 2.528 20 0 DFADHO CCO[C@@H]1C[C@@H]([N@@H+]2C[C@@H](C)[C@](C)(CN)C2)[C@H]1Oc1ccccc1 ZINC000423516425 429107170 /nfs/dbraw/zinc/10/71/70/429107170.db2.gz WVLCWBKHQCYFLT-WSIUPNEHSA-N 1 3 318.461 2.528 20 0 DFADHO CCO[C@@H]1C[C@@H]([N@H+]2C[C@@H](C)[C@](C)(CN)C2)[C@H]1Oc1ccccc1 ZINC000423516425 429107174 /nfs/dbraw/zinc/10/71/74/429107174.db2.gz WVLCWBKHQCYFLT-WSIUPNEHSA-N 1 3 318.461 2.528 20 0 DFADHO CC(C)(C)OC(=O)C(C)(C)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424195001 429109024 /nfs/dbraw/zinc/10/90/24/429109024.db2.gz YJZZSEMGSUOIJK-HUUCEWRRSA-N 1 3 310.482 2.961 20 0 DFADHO CC(C)(C)OC(=O)C(C)(C)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424195001 429109028 /nfs/dbraw/zinc/10/90/28/429109028.db2.gz YJZZSEMGSUOIJK-HUUCEWRRSA-N 1 3 310.482 2.961 20 0 DFADHO C[C@@H](CC1CCOCC1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423534222 429111130 /nfs/dbraw/zinc/11/11/30/429111130.db2.gz ZQXNSMVXSICIIE-RLWQEURSSA-N 1 3 306.494 2.935 20 0 DFADHO COC(=O)CC1CC([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000424277585 429117511 /nfs/dbraw/zinc/11/75/11/429117511.db2.gz HATDXZAHLKMOSY-CIDNJEQPSA-N 1 3 308.466 2.571 20 0 DFADHO CCc1ccccc1NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424288589 429120943 /nfs/dbraw/zinc/12/09/43/429120943.db2.gz KSJYTGQKPNMFSA-OAHLLOKOSA-N 1 3 315.461 2.652 20 0 DFADHO CCCCN(CCCC)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300562 429123138 /nfs/dbraw/zinc/12/31/38/429123138.db2.gz WSXGMSYABDJARH-KRWDZBQOSA-N 1 3 323.525 2.879 20 0 DFADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000424301077 429123149 /nfs/dbraw/zinc/12/31/49/429123149.db2.gz WWVPOPJCSOKWPB-KZNAEPCWSA-N 1 3 304.434 2.604 20 0 DFADHO CCOC(=O)CC(C)(C)CCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000376515811 429126398 /nfs/dbraw/zinc/12/63/98/429126398.db2.gz VAZSEXKSHDRGKH-MRXNPFEDSA-N 1 3 310.482 2.774 20 0 DFADHO CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000376515811 429126401 /nfs/dbraw/zinc/12/64/01/429126401.db2.gz VAZSEXKSHDRGKH-MRXNPFEDSA-N 1 3 310.482 2.774 20 0 DFADHO CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000376515811 429126404 /nfs/dbraw/zinc/12/64/04/429126404.db2.gz VAZSEXKSHDRGKH-MRXNPFEDSA-N 1 3 310.482 2.774 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CC(CC(=O)OC)C1 ZINC000424321544 429127081 /nfs/dbraw/zinc/12/70/81/429127081.db2.gz ULIXNPMVBPOUAC-ODZFXCKXSA-N 1 3 310.482 2.818 20 0 DFADHO N[C@@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000424340689 429130047 /nfs/dbraw/zinc/13/00/47/429130047.db2.gz YRENGKROGZJTQH-ZIAGYGMSSA-N 1 3 320.824 2.792 20 0 DFADHO C[NH2+]C[C@H]1CCCN(C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000435369885 429133325 /nfs/dbraw/zinc/13/33/25/429133325.db2.gz GKAYJBGRKCZYNY-GDBMZVCRSA-N 1 3 308.441 2.944 20 0 DFADHO CCC1(CC)[C@H](OC)C[C@@H]1NCc1cc(C2CC[NH2+]CC2)no1 ZINC000424379873 429134031 /nfs/dbraw/zinc/13/40/31/429134031.db2.gz PKFHDJJJWQCMFM-DLBZAZTESA-N 1 3 321.465 2.825 20 0 DFADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OCc2ccccn2)cc1 ZINC000435374388 429135247 /nfs/dbraw/zinc/13/52/47/429135247.db2.gz XBYPAMMJTSUMQY-WBVHZDCISA-N 1 3 311.429 2.830 20 0 DFADHO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCCN1CCCC1 ZINC000494659623 429139695 /nfs/dbraw/zinc/13/96/95/429139695.db2.gz QMBMEMUFMLMURG-CABCVRRESA-N 1 3 313.486 2.754 20 0 DFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000494889138 429162044 /nfs/dbraw/zinc/16/20/44/429162044.db2.gz JTNYENJDFVYVIX-ABSDTBQOSA-N 1 3 315.505 2.958 20 0 DFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)c1 ZINC000495060137 429175804 /nfs/dbraw/zinc/17/58/04/429175804.db2.gz QCMKNQNZNVCZOR-GPMSIDNRSA-N 1 3 320.477 2.778 20 0 DFADHO Brc1ccc2c(c1)CCN(CC1CC[NH2+]CC1)C2 ZINC000261823208 275370696 /nfs/dbraw/zinc/37/06/96/275370696.db2.gz IOLKIDFYXXTMPG-UHFFFAOYSA-N 1 3 309.251 2.807 20 0 DFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495428746 429207205 /nfs/dbraw/zinc/20/72/05/429207205.db2.gz BCFGYWBWJYYQKE-KGLIPLIRSA-N 1 3 313.486 2.752 20 0 DFADHO C[NH+](C)[C@H]1CCC[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495428746 429207211 /nfs/dbraw/zinc/20/72/11/429207211.db2.gz BCFGYWBWJYYQKE-KGLIPLIRSA-N 1 3 313.486 2.752 20 0 DFADHO CC[C@@H](C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[NH+](CC)CC ZINC000488888668 429205853 /nfs/dbraw/zinc/20/58/53/429205853.db2.gz IXZCOBKWSQJFQM-IRXDYDNUSA-N 1 3 323.456 2.665 20 0 DFADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000442767321 429234993 /nfs/dbraw/zinc/23/49/93/429234993.db2.gz YJTNDEOVZWVLPP-NEPJUHHUSA-N 1 3 320.824 2.602 20 0 DFADHO Cc1ccc(F)cc1CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000364640584 429240248 /nfs/dbraw/zinc/24/02/48/429240248.db2.gz XITZGXUMHVGJHS-INIZCTEOSA-N 1 3 319.468 2.734 20 0 DFADHO Cc1ccc(F)cc1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000364640584 429240250 /nfs/dbraw/zinc/24/02/50/429240250.db2.gz XITZGXUMHVGJHS-INIZCTEOSA-N 1 3 319.468 2.734 20 0 DFADHO Cc1ccc(F)cc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000364640584 429240255 /nfs/dbraw/zinc/24/02/55/429240255.db2.gz XITZGXUMHVGJHS-INIZCTEOSA-N 1 3 319.468 2.734 20 0 DFADHO COc1cc(CN2CCC[C@H](CC[NH3+])C2)cc(Cl)c1OC ZINC000442925053 429240744 /nfs/dbraw/zinc/24/07/44/429240744.db2.gz TWYISKIOIMTCMR-GFCCVEGCSA-N 1 3 312.841 2.918 20 0 DFADHO Cc1cc(NC[C@H](C)[NH+](C)C)c2cc(OC(F)F)ccc2n1 ZINC000443424681 429250324 /nfs/dbraw/zinc/25/03/24/429250324.db2.gz VXSMOOXSZOSVQB-NSHDSACASA-N 1 3 309.360 2.929 20 0 DFADHO CC[C@H]([NH3+])C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000364851140 429267292 /nfs/dbraw/zinc/26/72/92/429267292.db2.gz OIHUUQFVYHIKCM-CWRNSKLLSA-N 1 3 323.868 2.576 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCOC3(CCC3)C2)C[C@@H](C)O1 ZINC000449104131 429332510 /nfs/dbraw/zinc/33/25/10/429332510.db2.gz UHZXTJWAPGRMPH-ZACQAIPSSA-N 1 3 310.482 2.567 20 0 DFADHO C[C@@H](NC[C@@H](O)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425435244 429296256 /nfs/dbraw/zinc/29/62/56/429296256.db2.gz RULDFLQLFMDPOL-POAQFYNOSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@@H](NC[C@@H](O)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000425435244 429296262 /nfs/dbraw/zinc/29/62/62/429296262.db2.gz RULDFLQLFMDPOL-POAQFYNOSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000425435244 429296271 /nfs/dbraw/zinc/29/62/71/429296271.db2.gz RULDFLQLFMDPOL-POAQFYNOSA-N 1 3 316.489 2.833 20 0 DFADHO CC1CC[NH+](CC2CCN(C[C@@H]3CC4(CC4)C(=O)O3)CC2)CC1 ZINC000365420141 429316837 /nfs/dbraw/zinc/31/68/37/429316837.db2.gz DPSJSEJVYCIJHY-KRWDZBQOSA-N 1 3 320.477 2.526 20 0 DFADHO CC(C)OCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000365884052 429396700 /nfs/dbraw/zinc/39/67/00/429396700.db2.gz HPGSVANUMRGXLR-IRXDYDNUSA-N 1 3 312.498 2.623 20 0 DFADHO C[C@@H](Cc1ccc(O)cc1)NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425895979 429350375 /nfs/dbraw/zinc/35/03/75/429350375.db2.gz MGFIWCGSWDKEHB-ZDUSSCGKSA-N 1 3 315.417 2.568 20 0 DFADHO c1c(CNC[C@H]2CCc3ccccc32)onc1C1CC[NH2+]CC1 ZINC000425899840 429351632 /nfs/dbraw/zinc/35/16/32/429351632.db2.gz MHUIIEITSNOMGV-MRXNPFEDSA-N 1 3 311.429 2.961 20 0 DFADHO Cc1ccc2cc([C@H](C)[NH2+]CC3(O)CCN(C)CC3)oc2c1 ZINC000426038117 429361116 /nfs/dbraw/zinc/36/11/16/429361116.db2.gz XUNFFZXUOVMHHS-AWEZNQCLSA-N 1 3 302.418 2.849 20 0 DFADHO C=Cn1cc(CN2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)cn1 ZINC000365795442 429373634 /nfs/dbraw/zinc/37/36/34/429373634.db2.gz NLYPSRGWKLFQDG-MRXNPFEDSA-N 1 3 300.450 2.680 20 0 DFADHO C=Cn1cc(CN2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cn1 ZINC000365795442 429373637 /nfs/dbraw/zinc/37/36/37/429373637.db2.gz NLYPSRGWKLFQDG-MRXNPFEDSA-N 1 3 300.450 2.680 20 0 DFADHO CC(C)[C@@H](C(=O)NCCC[NH+]1CCCCCC1)N1CCCCC1 ZINC000354317360 275665787 /nfs/dbraw/zinc/66/57/87/275665787.db2.gz GAHQESNMCCBYGL-SFHVURJKSA-N 1 3 323.525 2.879 20 0 DFADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000449319920 429385221 /nfs/dbraw/zinc/38/52/21/429385221.db2.gz HIZICZVIPSKLID-MSOLQXFVSA-N 1 3 321.509 2.619 20 0 DFADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000186985770 275672216 /nfs/dbraw/zinc/67/22/16/275672216.db2.gz KGLKGQCHHMUXLI-HXUWFJFHSA-N 1 3 317.521 2.869 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC[C@@](C)(O)C(F)(F)F)C1 ZINC000518757540 429432464 /nfs/dbraw/zinc/43/24/64/429432464.db2.gz DWASMGFZJOGLKN-HZSPNIEDSA-N 1 3 310.404 2.647 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC[C@@](C)(O)C(F)(F)F)C1 ZINC000518757540 429432468 /nfs/dbraw/zinc/43/24/68/429432468.db2.gz DWASMGFZJOGLKN-HZSPNIEDSA-N 1 3 310.404 2.647 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCn4ccnc4C3)CC2)C1 ZINC000427873918 429475203 /nfs/dbraw/zinc/47/52/03/429475203.db2.gz LZGMSKFDTNXACO-BPQIPLTHSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCn4ccnc4C3)CC2)C1 ZINC000427873918 429475206 /nfs/dbraw/zinc/47/52/06/429475206.db2.gz LZGMSKFDTNXACO-BPQIPLTHSA-N 1 3 316.493 2.831 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+](C)CCN1CCc2ccccc21 ZINC000428227847 429500735 /nfs/dbraw/zinc/50/07/35/429500735.db2.gz YBMWQQCWKQKWOV-SFHVURJKSA-N 1 3 301.478 2.855 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCN1CCc2ccccc21 ZINC000428227847 429500739 /nfs/dbraw/zinc/50/07/39/429500739.db2.gz YBMWQQCWKQKWOV-SFHVURJKSA-N 1 3 301.478 2.855 20 0 DFADHO CN(CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000520400782 429512899 /nfs/dbraw/zinc/51/28/99/429512899.db2.gz RRXVKOZOGYNLDF-HKUYNNGSSA-N 1 3 301.478 2.929 20 0 DFADHO CN(CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000520400782 429512904 /nfs/dbraw/zinc/51/29/04/429512904.db2.gz RRXVKOZOGYNLDF-HKUYNNGSSA-N 1 3 301.478 2.929 20 0 DFADHO CN(CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000520400782 429512910 /nfs/dbraw/zinc/51/29/10/429512910.db2.gz RRXVKOZOGYNLDF-HKUYNNGSSA-N 1 3 301.478 2.929 20 0 DFADHO CN(CCCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000520400782 429512915 /nfs/dbraw/zinc/51/29/15/429512915.db2.gz RRXVKOZOGYNLDF-HKUYNNGSSA-N 1 3 301.478 2.929 20 0 DFADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000366794396 429516524 /nfs/dbraw/zinc/51/65/24/429516524.db2.gz ZPWSKGCRAWQASC-ZACQAIPSSA-N 1 3 304.482 2.768 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCC23CCOCC3)C[C@H](C)O1 ZINC000367066096 429569912 /nfs/dbraw/zinc/56/99/12/429569912.db2.gz LODQSPCBRBWGOC-KSZLIROESA-N 1 3 324.509 2.815 20 0 DFADHO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000377628944 275908287 /nfs/dbraw/zinc/90/82/87/275908287.db2.gz OYTILZSQKMYQOK-UYAOXDASSA-N 1 3 319.537 2.938 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C)[C@H]2c2ccccc2)CN1C1CC1 ZINC000367337196 429624720 /nfs/dbraw/zinc/62/47/20/429624720.db2.gz YDMNYFJPQAYRKZ-LBKNJMOBSA-N 1 3 313.489 2.894 20 0 DFADHO C[C@@H](O)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450456790 429631997 /nfs/dbraw/zinc/63/19/97/429631997.db2.gz UKDIUACCQOYUMG-MJGOQNOKSA-N 1 3 302.462 2.745 20 0 DFADHO C[C@@H](O)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450456790 429632002 /nfs/dbraw/zinc/63/20/02/429632002.db2.gz UKDIUACCQOYUMG-MJGOQNOKSA-N 1 3 302.462 2.745 20 0 DFADHO CCC[NH+]1CCC(N(C)C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450471605 429636126 /nfs/dbraw/zinc/63/61/26/429636126.db2.gz WIRGCNQSBLCVQF-VQIMIIECSA-N 1 3 304.478 2.957 20 0 DFADHO CCc1ccc2nccc(N3CC[C@@H]([N@H+](C)CCO)[C@H]3C)c2c1 ZINC000450538458 429643336 /nfs/dbraw/zinc/64/33/36/429643336.db2.gz GGFUJHHVEKLSIJ-RDTXWAMCSA-N 1 3 313.445 2.689 20 0 DFADHO CCc1ccc2nccc(N3CC[C@@H]([N@@H+](C)CCO)[C@H]3C)c2c1 ZINC000450538458 429643339 /nfs/dbraw/zinc/64/33/39/429643339.db2.gz GGFUJHHVEKLSIJ-RDTXWAMCSA-N 1 3 313.445 2.689 20 0 DFADHO CCCCC[C@H](C)NC(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199186 429595546 /nfs/dbraw/zinc/59/55/46/429595546.db2.gz INGQDDDIFJUGPX-KRWDZBQOSA-N 1 3 323.525 2.879 20 0 DFADHO Cc1cnn(C)c1CNC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000367216171 429600433 /nfs/dbraw/zinc/60/04/33/429600433.db2.gz ATXOJZDREXNLCF-UHFFFAOYSA-N 1 3 304.482 2.861 20 0 DFADHO CC(C)[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)N1CCCCC1 ZINC000523302598 429602569 /nfs/dbraw/zinc/60/25/69/429602569.db2.gz FJKAIRFQGZLYNE-QGZVFWFLSA-N 1 3 323.525 2.878 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429537418 429614119 /nfs/dbraw/zinc/61/41/19/429614119.db2.gz FHAWFVMVFBLVAQ-OAHLLOKOSA-N 1 3 321.440 2.879 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429537418 429614122 /nfs/dbraw/zinc/61/41/22/429614122.db2.gz FHAWFVMVFBLVAQ-OAHLLOKOSA-N 1 3 321.440 2.879 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@H]1CCC(F)(F)C1 ZINC000450600352 429658608 /nfs/dbraw/zinc/65/86/08/429658608.db2.gz NLLIBECSKFREPT-GBJTYRQASA-N 1 3 302.409 2.605 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)[C@H]2CCC[C@H]21 ZINC000367517919 429664291 /nfs/dbraw/zinc/66/42/91/429664291.db2.gz FILBQPNWYKPMAG-CEXWTWQISA-N 1 3 310.445 2.835 20 0 DFADHO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000367539338 429667487 /nfs/dbraw/zinc/66/74/87/429667487.db2.gz YRUUNJBICRTDNK-XCRHUMRWSA-N 1 3 304.482 2.507 20 0 DFADHO CCN(C(=O)CCC[NH2+]C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000368453900 276060420 /nfs/dbraw/zinc/06/04/20/276060420.db2.gz NCBYYDWSATZBEX-WMZOPIPTSA-N 1 3 317.477 2.670 20 0 DFADHO CCN(CC)CC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272365331 276099575 /nfs/dbraw/zinc/09/95/75/276099575.db2.gz OBBSNNPJHVJEHH-IEBWSBKVSA-N 1 3 303.494 2.828 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000271254540 276106714 /nfs/dbraw/zinc/10/67/14/276106714.db2.gz GGNGRCUBQFQSNX-PMACEKPBSA-N 1 3 315.505 2.925 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2F)C[C@H]1C ZINC000354211857 276224879 /nfs/dbraw/zinc/22/48/79/276224879.db2.gz YPRYQLCKPIILQE-CABCVRRESA-N 1 3 321.440 2.959 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2F)C[C@H]1C ZINC000354211857 276224880 /nfs/dbraw/zinc/22/48/80/276224880.db2.gz YPRYQLCKPIILQE-CABCVRRESA-N 1 3 321.440 2.959 20 0 DFADHO Cc1cccc2c1[nH+]cc(C)c2N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000450790804 429699368 /nfs/dbraw/zinc/69/93/68/429699368.db2.gz HPARPDXFPVOVPM-IYBDPMFKSA-N 1 3 313.445 2.743 20 0 DFADHO CC(C)[C@](C)(C[NH3+])NCCOc1ccc(Br)cc1 ZINC000430558605 429692781 /nfs/dbraw/zinc/69/27/81/429692781.db2.gz VZGIXJLZGVPJPM-AWEZNQCLSA-N 1 3 315.255 2.791 20 0 DFADHO CCN(CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)CCC(F)(F)F ZINC000353608007 276349130 /nfs/dbraw/zinc/34/91/30/276349130.db2.gz QUOHMZNVIKGBBM-RBSFLKMASA-N 1 3 321.431 2.723 20 0 DFADHO CCN(CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)CCC(F)(F)F ZINC000353608007 276349131 /nfs/dbraw/zinc/34/91/31/276349131.db2.gz QUOHMZNVIKGBBM-RBSFLKMASA-N 1 3 321.431 2.723 20 0 DFADHO CC(C)[C@@H](O)CN1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000367795451 429718586 /nfs/dbraw/zinc/71/85/86/429718586.db2.gz VVKLEUDWEBPVOP-OALUTQOASA-N 1 3 304.478 2.990 20 0 DFADHO CC(C)[C@@H](O)CN1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000367795451 429718587 /nfs/dbraw/zinc/71/85/87/429718587.db2.gz VVKLEUDWEBPVOP-OALUTQOASA-N 1 3 304.478 2.990 20 0 DFADHO CCOCc1cc(CN2CCC3(CC[NH2+]C3)CC2)ccc1OC ZINC000430940046 429727317 /nfs/dbraw/zinc/72/73/17/429727317.db2.gz IRNNDFKPVHLHBV-UHFFFAOYSA-N 1 3 318.461 2.807 20 0 DFADHO c1nn(Cc2ccccc2)cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430957311 429728680 /nfs/dbraw/zinc/72/86/80/429728680.db2.gz OEYGOQFVLPEQNW-UHFFFAOYSA-N 1 3 310.445 2.507 20 0 DFADHO [NH3+]C[C@@H]1CCN(CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430965736 429731330 /nfs/dbraw/zinc/73/13/30/429731330.db2.gz LKLBQDVDRHWCBB-LBPRGKRZSA-N 1 3 302.340 2.755 20 0 DFADHO c1csc(-c2n[nH]cc2CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430966588 429732099 /nfs/dbraw/zinc/73/20/99/429732099.db2.gz OYVWYAFRNVOZGB-UHFFFAOYSA-N 1 3 302.447 2.714 20 0 DFADHO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C)c1 ZINC000368050207 429775050 /nfs/dbraw/zinc/77/50/50/429775050.db2.gz DNFBUFYSIALEKM-FQEVSTJZSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1ccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C)c1 ZINC000368050207 429775053 /nfs/dbraw/zinc/77/50/53/429775053.db2.gz DNFBUFYSIALEKM-FQEVSTJZSA-N 1 3 315.505 2.904 20 0 DFADHO C[C@@H]1CCCN(CCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000431748856 429780359 /nfs/dbraw/zinc/78/03/59/429780359.db2.gz JCLJPVOXPJZHNC-SJLPKXTDSA-N 1 3 317.477 2.528 20 0 DFADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000431788939 429782911 /nfs/dbraw/zinc/78/29/11/429782911.db2.gz OVLNNLVMCQZNCX-DOTOQJQBSA-N 1 3 309.498 2.630 20 0 DFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000431788939 429782914 /nfs/dbraw/zinc/78/29/14/429782914.db2.gz OVLNNLVMCQZNCX-DOTOQJQBSA-N 1 3 309.498 2.630 20 0 DFADHO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000368088311 429784929 /nfs/dbraw/zinc/78/49/29/429784929.db2.gz GJRUCLSDMIAWKF-CGTJXYLNSA-N 1 3 305.510 2.737 20 0 DFADHO OC1CC(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000528016500 429837068 /nfs/dbraw/zinc/83/70/68/429837068.db2.gz ASCNVVWGXRSWEU-ZSDFWYKJSA-N 1 3 314.473 2.648 20 0 DFADHO CN1CCN(CC2(C)CC[NH+]([C@@H]3CCC(C)(C)C3)CC2)CC1 ZINC000368401161 429842952 /nfs/dbraw/zinc/84/29/52/429842952.db2.gz YLVRWOHVSARZDH-QGZVFWFLSA-N 1 3 307.526 2.915 20 0 DFADHO COc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000368479076 429855659 /nfs/dbraw/zinc/85/56/59/429855659.db2.gz YVUPSNNVZOAJQO-KSSFIOAISA-N 1 3 316.445 2.983 20 0 DFADHO C[C@]1(CNC(=[NH2+])Nc2ccccn2)CCN(Cc2ccccc2)C1 ZINC000368532451 429863612 /nfs/dbraw/zinc/86/36/12/429863612.db2.gz YUKCTBASEKNICU-LJQANCHMSA-N 1 3 323.444 2.930 20 0 DFADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)N1CCCC[C@@H]1C ZINC000494306301 429866063 /nfs/dbraw/zinc/86/60/63/429866063.db2.gz CZDNFIKWZJAPBP-IRXDYDNUSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC2CC(C)(C)C2)CC1 ZINC000528365821 429879913 /nfs/dbraw/zinc/87/99/13/429879913.db2.gz MQWUPJFIYYMGPW-IAGOWNOFSA-N 1 3 307.526 2.913 20 0 DFADHO CN1CCC([NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000369183931 429917973 /nfs/dbraw/zinc/91/79/73/429917973.db2.gz ONPAVFCOYKEZFS-LJQANCHMSA-N 1 3 301.478 2.582 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@H](C)C2CCCCC2)CC1 ZINC000556958972 429923846 /nfs/dbraw/zinc/92/38/46/429923846.db2.gz VHGZCRYTHPFTTH-MRXNPFEDSA-N 1 3 323.525 2.876 20 0 DFADHO c1ccc(CCN2CC[C@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000369328465 429923957 /nfs/dbraw/zinc/92/39/57/429923957.db2.gz BDZYTGYKENZEAW-QZTJIDSGSA-N 1 3 304.503 2.894 20 0 DFADHO CC1CCC([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CC1 ZINC000557898070 429958704 /nfs/dbraw/zinc/95/87/04/429958704.db2.gz ZBBLMSOLCKBQEG-XUJQIHCRSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759899 429971905 /nfs/dbraw/zinc/97/19/05/429971905.db2.gz NARQXRGLQXXMNO-YESZJQIVSA-N 1 3 321.509 2.582 20 0 DFADHO N[C@@H]1CCC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000573793195 429983144 /nfs/dbraw/zinc/98/31/44/429983144.db2.gz XIFLVUVYAZZEPV-GHMZBOCLSA-N 1 3 322.762 2.635 20 0 DFADHO CCC[C@H](C)N(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000557522699 429943945 /nfs/dbraw/zinc/94/39/45/429943945.db2.gz DUKIMSPLHIBKDX-INIZCTEOSA-N 1 3 323.525 2.830 20 0 DFADHO Cc1nccn1CCCCN1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000574337948 430033290 /nfs/dbraw/zinc/03/32/90/430033290.db2.gz ZFOWRVMPZVBMKD-UHFFFAOYSA-N 1 3 304.482 2.922 20 0 DFADHO Cc1nccn1CCCCN1CC[N@H+](C)C2(CCCCC2)C1 ZINC000574337948 430033292 /nfs/dbraw/zinc/03/32/92/430033292.db2.gz ZFOWRVMPZVBMKD-UHFFFAOYSA-N 1 3 304.482 2.922 20 0 DFADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)CC1CCCC1 ZINC000573955182 429997126 /nfs/dbraw/zinc/99/71/26/429997126.db2.gz ZZLAGKUITOBPDK-GOSISDBHSA-N 1 3 320.477 2.658 20 0 DFADHO CC[C@@H](C)C[C@H](CC)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000574215043 430021605 /nfs/dbraw/zinc/02/16/05/430021605.db2.gz VTUYJSWKSCABDL-SJORKVTESA-N 1 3 311.514 2.783 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000634723658 430089475 /nfs/dbraw/zinc/08/94/75/430089475.db2.gz AGUSFAQSFRDAKK-NXWXRZEISA-N 1 3 302.462 2.648 20 0 DFADHO C[C@@H](CC(=O)N1CCCCCC1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732498 430093739 /nfs/dbraw/zinc/09/37/39/430093739.db2.gz HRGVPLKJRSZALL-JKSUJKDBSA-N 1 3 309.498 2.535 20 0 DFADHO CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCNCC(C)(C)C2)CC1 ZINC000634732673 430093876 /nfs/dbraw/zinc/09/38/76/430093876.db2.gz LUQPFUDKRFLZOD-MRXNPFEDSA-N 1 3 323.525 2.781 20 0 DFADHO CO[C@H](CN1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000530222409 430105321 /nfs/dbraw/zinc/10/53/21/430105321.db2.gz MVLUISZRAXJUME-QZTJIDSGSA-N 1 3 306.425 2.977 20 0 DFADHO CC(C)[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000530245157 430107612 /nfs/dbraw/zinc/10/76/12/430107612.db2.gz UZLNOKQLQNXLPK-VQTJNVASSA-N 1 3 315.505 2.828 20 0 DFADHO CC(C)[C@H](CO)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000562063602 430108413 /nfs/dbraw/zinc/10/84/13/430108413.db2.gz FAIJPEWZQJLTSZ-WBVHZDCISA-N 1 3 308.466 2.542 20 0 DFADHO Cc1ncc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)s1 ZINC000639995380 430050700 /nfs/dbraw/zinc/05/07/00/430050700.db2.gz KRJFATHFHZHBMP-AWEZNQCLSA-N 1 3 310.511 2.518 20 0 DFADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCc3cncn3C)CC2)C1 ZINC000530355010 430113200 /nfs/dbraw/zinc/11/32/00/430113200.db2.gz SZDWLYBPDDKPOW-DOTOQJQBSA-N 1 3 304.482 2.595 20 0 DFADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCc3cncn3C)CC2)C1 ZINC000530355010 430113204 /nfs/dbraw/zinc/11/32/04/430113204.db2.gz SZDWLYBPDDKPOW-DOTOQJQBSA-N 1 3 304.482 2.595 20 0 DFADHO CN(C)CCOc1cccc(C[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000634679385 430074299 /nfs/dbraw/zinc/07/42/99/430074299.db2.gz STMDGPQKPIXRSE-INIZCTEOSA-N 1 3 306.450 2.674 20 0 DFADHO CCCN(CCC)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000561109012 430076385 /nfs/dbraw/zinc/07/63/85/430076385.db2.gz QAOYQIKLMSDXEL-UHFFFAOYSA-N 1 3 323.525 2.831 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC[N@@H+]1C ZINC000637830681 430140173 /nfs/dbraw/zinc/14/01/73/430140173.db2.gz CIZNJGBRTJGZCT-OKZBNKHCSA-N 1 3 317.477 2.656 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC[N@H+]1C ZINC000637830681 430140178 /nfs/dbraw/zinc/14/01/78/430140178.db2.gz CIZNJGBRTJGZCT-OKZBNKHCSA-N 1 3 317.477 2.656 20 0 DFADHO C[N@@H+]1CCC[C@@H](N2CCN([C@H]3CCCc4ccccc43)CC2)C1 ZINC000369353292 277053797 /nfs/dbraw/zinc/05/37/97/277053797.db2.gz BXGYTPRHJFDRHS-QUCCMNQESA-N 1 3 313.489 2.776 20 0 DFADHO C[N@H+]1CCC[C@@H](N2CCN([C@H]3CCCc4ccccc43)CC2)C1 ZINC000369353292 277053798 /nfs/dbraw/zinc/05/37/98/277053798.db2.gz BXGYTPRHJFDRHS-QUCCMNQESA-N 1 3 313.489 2.776 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000371330130 277078093 /nfs/dbraw/zinc/07/80/93/277078093.db2.gz QVEDRJBFIALDCC-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000371330130 277078094 /nfs/dbraw/zinc/07/80/94/277078094.db2.gz QVEDRJBFIALDCC-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000371330130 277078095 /nfs/dbraw/zinc/07/80/95/277078095.db2.gz QVEDRJBFIALDCC-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000371330130 277078096 /nfs/dbraw/zinc/07/80/96/277078096.db2.gz QVEDRJBFIALDCC-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO CC(C)N1CCC[C@@H](N(C)CCCC[NH+]2CCCCC2)C1=O ZINC000640532285 430191175 /nfs/dbraw/zinc/19/11/75/430191175.db2.gz CPBYFOMHKSJRSJ-QGZVFWFLSA-N 1 3 309.498 2.584 20 0 DFADHO C[C@@H](N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000635001420 430192571 /nfs/dbraw/zinc/19/25/71/430192571.db2.gz RVFAQYBAYYRSEG-DKQGAXAQSA-N 1 3 321.262 2.675 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCNCC(C)(C)C2)C1 ZINC000635007715 430193298 /nfs/dbraw/zinc/19/32/98/430193298.db2.gz BEDLOSOQFPQKFR-PMPSAXMXSA-N 1 3 304.482 2.814 20 0 DFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572576 277156051 /nfs/dbraw/zinc/15/60/51/277156051.db2.gz TYLIZTDYLGBNII-MAUKXSAKSA-N 1 3 311.429 2.857 20 0 DFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572576 277156052 /nfs/dbraw/zinc/15/60/52/277156052.db2.gz TYLIZTDYLGBNII-MAUKXSAKSA-N 1 3 311.429 2.857 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572576 277156053 /nfs/dbraw/zinc/15/60/53/277156053.db2.gz TYLIZTDYLGBNII-MAUKXSAKSA-N 1 3 311.429 2.857 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572576 277156054 /nfs/dbraw/zinc/15/60/54/277156054.db2.gz TYLIZTDYLGBNII-MAUKXSAKSA-N 1 3 311.429 2.857 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@@H](C)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000635010797 430195258 /nfs/dbraw/zinc/19/52/58/430195258.db2.gz BJLNDSAKKLPQPG-UHOSZYNNSA-N 1 3 301.478 2.547 20 0 DFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(Cl)cn1 ZINC000635010527 430195829 /nfs/dbraw/zinc/19/58/29/430195829.db2.gz SRPHIJQLNNFURJ-LBPRGKRZSA-N 1 3 317.824 2.713 20 0 DFADHO COc1cccc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c1 ZINC000635009239 430196224 /nfs/dbraw/zinc/19/62/24/430196224.db2.gz MLSAWFUJJKQMRJ-AWEZNQCLSA-N 1 3 312.417 2.673 20 0 DFADHO CC(C)[C@H]1CCN(CC2(C[N@@H+]3CC[C@H](C(C)C)C3)COC2)C1 ZINC000541999898 430197925 /nfs/dbraw/zinc/19/79/25/430197925.db2.gz FKDNIAAENGDQLD-ROUUACIJSA-N 1 3 308.510 2.959 20 0 DFADHO CC(C)[C@H]1CCN(CC2(C[N@H+]3CC[C@H](C(C)C)C3)COC2)C1 ZINC000541999898 430197929 /nfs/dbraw/zinc/19/79/29/430197929.db2.gz FKDNIAAENGDQLD-ROUUACIJSA-N 1 3 308.510 2.959 20 0 DFADHO COCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180162825 277239386 /nfs/dbraw/zinc/23/93/86/277239386.db2.gz TWIBGGAABZRWFV-DSLXNQLJSA-N 1 3 302.462 2.912 20 0 DFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@@H]1C ZINC000373391407 277325671 /nfs/dbraw/zinc/32/56/71/277325671.db2.gz VSJMTVFLLOTACO-RVKKMQEKSA-N 1 3 322.493 2.961 20 0 DFADHO C[C@H](NCC1CC[NH2+]CC1)c1ncc(Br)s1 ZINC000565710386 430222279 /nfs/dbraw/zinc/22/22/79/430222279.db2.gz MBCXEGFLGOBITB-QMMMGPOBSA-N 1 3 304.257 2.556 20 0 DFADHO Cc1ccc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)c(F)c1 ZINC000638045808 430216680 /nfs/dbraw/zinc/21/66/80/430216680.db2.gz RREZIOIRRAZVFF-OAHLLOKOSA-N 1 3 308.441 2.659 20 0 DFADHO C[N@H+](C[C@H](O)CNCC(C)(C)c1ccccc1Cl)C1CC1 ZINC000582176470 430274097 /nfs/dbraw/zinc/27/40/97/430274097.db2.gz VIMYPNIRPBJLDO-CQSZACIVSA-N 1 3 310.869 2.662 20 0 DFADHO C[N@@H+](C[C@H](O)CNCC(C)(C)c1ccccc1Cl)C1CC1 ZINC000582176470 430274101 /nfs/dbraw/zinc/27/41/01/430274101.db2.gz VIMYPNIRPBJLDO-CQSZACIVSA-N 1 3 310.869 2.662 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000638205369 430274213 /nfs/dbraw/zinc/27/42/13/430274213.db2.gz PLVNJFSVNQGHFT-ZWKOTPCHSA-N 1 3 313.445 2.719 20 0 DFADHO COCC[C@H](Cc1ccco1)NC1CC[NH+](CC2CC2)CC1 ZINC000544368660 430280107 /nfs/dbraw/zinc/28/01/07/430280107.db2.gz PWOYROJVYPNHDL-QGZVFWFLSA-N 1 3 306.450 2.691 20 0 DFADHO O=C(CCC1C[NH2+]C1)Nc1cccc(CN2CCCCC2)c1 ZINC000638068246 430226871 /nfs/dbraw/zinc/22/68/71/430226871.db2.gz WBCWVXBFTHLLBW-UHFFFAOYSA-N 1 3 301.434 2.611 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000638086989 430231906 /nfs/dbraw/zinc/23/19/06/430231906.db2.gz YSSJKXVBCQOBKO-KURKYZTESA-N 1 3 323.525 2.863 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000638086989 430231909 /nfs/dbraw/zinc/23/19/09/430231909.db2.gz YSSJKXVBCQOBKO-KURKYZTESA-N 1 3 323.525 2.863 20 0 DFADHO CN1CCC(N2CCC([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000638460603 430348695 /nfs/dbraw/zinc/34/86/95/430348695.db2.gz ZWXHRUOVNHOLBJ-ZACQAIPSSA-N 1 3 305.510 2.571 20 0 DFADHO Cc1ccc(NC2CC[NH+](CC(C)(C)O)CC2)c(CN(C)C)c1 ZINC000638257576 430286166 /nfs/dbraw/zinc/28/61/66/430286166.db2.gz BAJOPRNJQTXVGM-UHFFFAOYSA-N 1 3 319.493 2.704 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000638273038 430290727 /nfs/dbraw/zinc/29/07/27/430290727.db2.gz GOZLBLUCXQBECY-YVSFHVDLSA-N 1 3 309.498 2.614 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000638273038 430290729 /nfs/dbraw/zinc/29/07/29/430290729.db2.gz GOZLBLUCXQBECY-YVSFHVDLSA-N 1 3 309.498 2.614 20 0 DFADHO CC[C@@](C)(C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)OC ZINC000638273335 430291124 /nfs/dbraw/zinc/29/11/24/430291124.db2.gz HMKUWZWEAXTLRX-IBGZPJMESA-N 1 3 320.477 2.548 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CS1 ZINC000638274429 430291966 /nfs/dbraw/zinc/29/19/66/430291966.db2.gz OLECZUIDNIZLPG-RHSMWYFYSA-N 1 3 320.502 2.627 20 0 DFADHO C[C@H](c1ccc2c(c1)CCC(=O)N2)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000582414673 430297766 /nfs/dbraw/zinc/29/77/66/430297766.db2.gz VNFLVGFUIRFWHO-SNUQEOBHSA-N 1 3 301.434 2.549 20 0 DFADHO C[C@H](c1ccc2c(c1)CCC(=O)N2)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000582414673 430297769 /nfs/dbraw/zinc/29/77/69/430297769.db2.gz VNFLVGFUIRFWHO-SNUQEOBHSA-N 1 3 301.434 2.549 20 0 DFADHO C[C@H](c1ccc2c(c1)CCC(=O)N2)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000582414673 430297774 /nfs/dbraw/zinc/29/77/74/430297774.db2.gz VNFLVGFUIRFWHO-SNUQEOBHSA-N 1 3 301.434 2.549 20 0 DFADHO Cc1ccc(C[C@H]2CCCN(C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000582449339 430300206 /nfs/dbraw/zinc/30/02/06/430300206.db2.gz XAUVWTJQVSBJSS-UYAOXDASSA-N 1 3 316.489 2.705 20 0 DFADHO Cc1ccc(C[C@H]2CCCN(C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000582449339 430300210 /nfs/dbraw/zinc/30/02/10/430300210.db2.gz XAUVWTJQVSBJSS-UYAOXDASSA-N 1 3 316.489 2.705 20 0 DFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)[C@H]1CC2CCC1CC2 ZINC000638360944 430317744 /nfs/dbraw/zinc/31/77/44/430317744.db2.gz XIHQUFVXQYBWDY-MKCYZYCBSA-N 1 3 307.526 2.818 20 0 DFADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)c2ccccc21 ZINC000582660035 430320498 /nfs/dbraw/zinc/32/04/98/430320498.db2.gz KYOBLXKQGAFYCG-JLZZUVOBSA-N 1 3 312.392 2.534 20 0 DFADHO CCN[C@H](C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000638389319 430326213 /nfs/dbraw/zinc/32/62/13/430326213.db2.gz FHBFVVGETVHSMB-CQSZACIVSA-N 1 3 321.490 2.811 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCc2nc(-c3ccncc3)cs2)C1 ZINC000582735978 430330332 /nfs/dbraw/zinc/33/03/32/430330332.db2.gz QTUMVAHBQMJIRU-ZIAGYGMSSA-N 1 3 302.447 2.607 20 0 DFADHO Cc1cccc(OC[C@H](C)NC2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638407166 430331668 /nfs/dbraw/zinc/33/16/68/430331668.db2.gz NVVBDPROSYUEEX-INIZCTEOSA-N 1 3 320.477 2.587 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCOc2ccc(Br)cc2)C1 ZINC000568247590 430339139 /nfs/dbraw/zinc/33/91/39/430339139.db2.gz QXNVIJJSYCGFRC-CHWSQXEVSA-N 1 3 313.239 2.687 20 0 DFADHO CCOC1CC(C[NH2+]Cc2ccccc2OCCN(C)C)C1 ZINC000638444540 430344809 /nfs/dbraw/zinc/34/48/09/430344809.db2.gz GPRGAYYSJDLELQ-UHFFFAOYSA-N 1 3 306.450 2.532 20 0 DFADHO COc1ncc(CNCC2CC[NH+](CCC(C)C)CC2)s1 ZINC000638720691 430416521 /nfs/dbraw/zinc/41/65/21/430416521.db2.gz HKACDTGUPQDRBP-UHFFFAOYSA-N 1 3 311.495 2.999 20 0 DFADHO CC(C)(N)c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179254 430354101 /nfs/dbraw/zinc/35/41/01/430354101.db2.gz HQURLRQASKUNFE-UHFFFAOYSA-N 1 3 313.449 2.506 20 0 DFADHO COc1ccc([C@@H](CN)C[NH+]2CCc3ccccc3CC2)cc1 ZINC000583075118 430361608 /nfs/dbraw/zinc/36/16/08/430361608.db2.gz ZKGSIBDOFGCAFY-IBGZPJMESA-N 1 3 310.441 2.838 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC000635739855 430362468 /nfs/dbraw/zinc/36/24/68/430362468.db2.gz FQOIKNDZQFXYRU-UHFFFAOYSA-N 1 3 315.461 2.871 20 0 DFADHO NCc1cccc2c1N(C(=O)CC1(C[NH3+])CCCCC1)CCC2 ZINC000638545402 430373365 /nfs/dbraw/zinc/37/33/65/430373365.db2.gz RYGVNLPVAXDMHO-UHFFFAOYSA-N 1 3 315.461 2.724 20 0 DFADHO CC(C)CC[C@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000568618396 430375716 /nfs/dbraw/zinc/37/57/16/430375716.db2.gz MMWFCBKYXMZOSK-SFHVURJKSA-N 1 3 305.466 2.685 20 0 DFADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)[C@H]1CC2CCC1CC2 ZINC000638587429 430382021 /nfs/dbraw/zinc/38/20/21/430382021.db2.gz CMIUJHUIXROJNK-FATHMOINSA-N 1 3 319.537 2.959 20 0 DFADHO CO[C@H](CNCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CCOC1 ZINC000638602848 430386312 /nfs/dbraw/zinc/38/63/12/430386312.db2.gz WTGPMFPHMGOYNP-RYQLBKOJSA-N 1 3 320.477 2.757 20 0 DFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000568766795 430391234 /nfs/dbraw/zinc/39/12/34/430391234.db2.gz MVNPIRLRJVEFHF-DOTOQJQBSA-N 1 3 317.477 2.513 20 0 DFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000568766795 430391238 /nfs/dbraw/zinc/39/12/38/430391238.db2.gz MVNPIRLRJVEFHF-DOTOQJQBSA-N 1 3 317.477 2.513 20 0 DFADHO C[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)C1=CCN(C)CC1 ZINC000583436530 430395525 /nfs/dbraw/zinc/39/55/25/430395525.db2.gz LSHZVIDROVKLDF-ZDUSSCGKSA-N 1 3 321.852 2.909 20 0 DFADHO CN1CCC(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)(N2CCCCC2)CC1 ZINC000638692236 430410942 /nfs/dbraw/zinc/41/09/42/430410942.db2.gz FIVHTLILDCYAHV-BCDXTJNWSA-N 1 3 305.510 2.572 20 0 DFADHO C[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])N1CCC[C@@H](C)C1 ZINC000569357735 430447881 /nfs/dbraw/zinc/44/78/81/430447881.db2.gz ZQJWRZOQRARZAL-NCOADZHNSA-N 1 3 309.498 2.521 20 0 DFADHO Cn1nc(CCNC2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000548158183 430452522 /nfs/dbraw/zinc/45/25/22/430452522.db2.gz DONKFJVFMXJGRH-UHFFFAOYSA-N 1 3 312.461 2.580 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000569469256 430456294 /nfs/dbraw/zinc/45/62/94/430456294.db2.gz RUJRFQUXAGPMAH-IPMKNSEASA-N 1 3 304.478 2.876 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000569469256 430456297 /nfs/dbraw/zinc/45/62/97/430456297.db2.gz RUJRFQUXAGPMAH-IPMKNSEASA-N 1 3 304.478 2.876 20 0 DFADHO CC1([NH+]2CCCC2)CCN(C(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000638861271 430459615 /nfs/dbraw/zinc/45/96/15/430459615.db2.gz RVGBBGUDHUEYNY-QGZVFWFLSA-N 1 3 321.509 2.761 20 0 DFADHO CN(C)CCOc1cc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)ccn1 ZINC000638903815 430471147 /nfs/dbraw/zinc/47/11/47/430471147.db2.gz UVELQVDKOQPPFD-OIISXLGYSA-N 1 3 303.450 2.548 20 0 DFADHO CCC(CC)Nc1ccncc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000569624764 430472485 /nfs/dbraw/zinc/47/24/85/430472485.db2.gz YPBFJLBUNWXJRQ-KBPBESRZSA-N 1 3 318.465 2.773 20 0 DFADHO CCC(CC)Nc1ccncc1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000569624764 430472488 /nfs/dbraw/zinc/47/24/88/430472488.db2.gz YPBFJLBUNWXJRQ-KBPBESRZSA-N 1 3 318.465 2.773 20 0 DFADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000641802597 430476276 /nfs/dbraw/zinc/47/62/76/430476276.db2.gz NIBPLJBVNIVZNE-OLZOCXBDSA-N 1 3 313.239 2.543 20 0 DFADHO CO[C@H](CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CCCC1 ZINC000638749875 430424509 /nfs/dbraw/zinc/42/45/09/430424509.db2.gz MBQAGWLRMCMVSX-GBESFXJTSA-N 1 3 324.509 2.549 20 0 DFADHO N[C@H]1CCCCC[C@@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000583806452 430429474 /nfs/dbraw/zinc/42/94/74/430429474.db2.gz HBWQXWLWQNNHHV-ROUUACIJSA-N 1 3 323.525 2.519 20 0 DFADHO [NH3+][C@H]1CCCCC[C@@H]1NCC1(CN2CCOCC2)CCCCC1 ZINC000583806452 430429476 /nfs/dbraw/zinc/42/94/76/430429476.db2.gz HBWQXWLWQNNHHV-ROUUACIJSA-N 1 3 323.525 2.519 20 0 DFADHO COc1cc(C[C@@H](C)[NH2+]C[C@@H]2CCCN(CC(C)C)C2)ccn1 ZINC000638788001 430432878 /nfs/dbraw/zinc/43/28/78/430432878.db2.gz ZYGJPJIRFKQVDI-AEFFLSMTSA-N 1 3 319.493 2.979 20 0 DFADHO COc1cc(C[C@@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)ccn1 ZINC000638788001 430432880 /nfs/dbraw/zinc/43/28/80/430432880.db2.gz ZYGJPJIRFKQVDI-AEFFLSMTSA-N 1 3 319.493 2.979 20 0 DFADHO COc1cc(C[C@@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)ccn1 ZINC000638788001 430432883 /nfs/dbraw/zinc/43/28/83/430432883.db2.gz ZYGJPJIRFKQVDI-AEFFLSMTSA-N 1 3 319.493 2.979 20 0 DFADHO CCC[C@@H](CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO)OC ZINC000638970289 430484195 /nfs/dbraw/zinc/48/41/95/430484195.db2.gz KVOYMNHWOVITRK-OALUTQOASA-N 1 3 320.477 2.548 20 0 DFADHO CCC[C@@H](CNCc1ccccc1C[N@H+]1CCC[C@H]1CO)OC ZINC000638970289 430484202 /nfs/dbraw/zinc/48/42/02/430484202.db2.gz KVOYMNHWOVITRK-OALUTQOASA-N 1 3 320.477 2.548 20 0 DFADHO C[C@@H](CN(C)C)[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639168826 430551663 /nfs/dbraw/zinc/55/16/63/430551663.db2.gz VLJJYXQOZDTTSI-IEZWGBDMSA-N 1 3 301.478 2.894 20 0 DFADHO CC(C)N1CC[C@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639170312 430554232 /nfs/dbraw/zinc/55/42/32/430554232.db2.gz STZZEQCPIWMPEC-QZTJIDSGSA-N 1 3 301.478 2.833 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000639177769 430558870 /nfs/dbraw/zinc/55/88/70/430558870.db2.gz WTNBWQMHHDFPMV-VQTJNVASSA-N 1 3 316.489 2.908 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000639177769 430558873 /nfs/dbraw/zinc/55/88/73/430558873.db2.gz WTNBWQMHHDFPMV-VQTJNVASSA-N 1 3 316.489 2.908 20 0 DFADHO C[C@@H]1CC[C@@H](O)CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000643295764 430575990 /nfs/dbraw/zinc/57/59/90/430575990.db2.gz PYWVERKEPXKBSV-SJLPKXTDSA-N 1 3 318.461 2.506 20 0 DFADHO CN(C)CCOc1cccc(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000552070767 430582249 /nfs/dbraw/zinc/58/22/49/430582249.db2.gz CXRHKIMVMABYNK-QRVBRYPASA-N 1 3 317.477 2.912 20 0 DFADHO CN(C)CCOc1cccc(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000552070767 430582254 /nfs/dbraw/zinc/58/22/54/430582254.db2.gz CXRHKIMVMABYNK-QRVBRYPASA-N 1 3 317.477 2.912 20 0 DFADHO Cc1ccc(CCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000643457017 430602409 /nfs/dbraw/zinc/60/24/09/430602409.db2.gz CPIVFZCVDSKFFX-VAMGGRTRSA-N 1 3 316.489 2.983 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000554724838 430650144 /nfs/dbraw/zinc/65/01/44/430650144.db2.gz VBTJYMGKCXBSDU-ZCNNSNEGSA-N 1 3 313.489 2.712 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)c1 ZINC000571821143 430654360 /nfs/dbraw/zinc/65/43/60/430654360.db2.gz NIMAUVMKMUTQFX-LMMKCTJWSA-N 1 3 317.477 2.692 20 0 DFADHO COc1ccc2[nH]cc(CC[NH2+][C@H](C)[C@H]3CCCNC3)c2c1 ZINC000643453869 430602620 /nfs/dbraw/zinc/60/26/20/430602620.db2.gz DQUJNDHBYSFDMU-KGLIPLIRSA-N 1 3 301.434 2.697 20 0 DFADHO Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCNCC3)C2)cc1F ZINC000643453140 430603058 /nfs/dbraw/zinc/60/30/58/430603058.db2.gz JJYWIVHZIKKEAB-ZIAGYGMSSA-N 1 3 309.404 2.523 20 0 DFADHO C[C@H](N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000643458440 430603878 /nfs/dbraw/zinc/60/38/78/430603878.db2.gz PQXJJGPHDVFQAZ-QXAKKESOSA-N 1 3 301.478 2.801 20 0 DFADHO C[C@H](N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000643458441 430604049 /nfs/dbraw/zinc/60/40/49/430604049.db2.gz PQXJJGPHDVFQAZ-UHOSZYNNSA-N 1 3 301.478 2.801 20 0 DFADHO CC(C)C1(C[NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000639307843 430605033 /nfs/dbraw/zinc/60/50/33/430605033.db2.gz IYJJRRMXNAYSBE-SFHVURJKSA-N 1 3 302.462 2.779 20 0 DFADHO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@@H]1CCCNC1 ZINC000643464289 430605505 /nfs/dbraw/zinc/60/55/05/430605505.db2.gz GARJUACZOKCKCC-UONOGXRCSA-N 1 3 307.507 2.932 20 0 DFADHO C[C@H](NCCCc1nc2c(s1)CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000643464289 430605509 /nfs/dbraw/zinc/60/55/09/430605509.db2.gz GARJUACZOKCKCC-UONOGXRCSA-N 1 3 307.507 2.932 20 0 DFADHO CC[C@](C)(C[NH2+]CC1CCN(Cc2ccncc2)CC1)OC ZINC000639312205 430605720 /nfs/dbraw/zinc/60/57/20/430605720.db2.gz SVUDHCCPJNJNID-GOSISDBHSA-N 1 3 305.466 2.698 20 0 DFADHO CO[C@@](C)(C[NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000639310384 430605959 /nfs/dbraw/zinc/60/59/59/430605959.db2.gz GTCASGGCCYMIGK-IBGZPJMESA-N 1 3 317.477 2.698 20 0 DFADHO C[C@@H]([NH2+]CC1(N)CCCCC1)c1cccc(N2CCOCC2)c1 ZINC000643496520 430608900 /nfs/dbraw/zinc/60/89/00/430608900.db2.gz SYXCOJIYJQCMHD-MRXNPFEDSA-N 1 3 317.477 2.835 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000643500415 430609513 /nfs/dbraw/zinc/60/95/13/430609513.db2.gz SNHJMPFRYWYEEG-JTUUTPGSSA-N 1 3 301.434 2.585 20 0 DFADHO C[C@@H]1[C@H](NC[C@@H]2CCCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000643502241 430610041 /nfs/dbraw/zinc/61/00/41/430610041.db2.gz AVAVLHIHALQQFA-NZSAHSFTSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@@H]1[C@@H](NC[C@H]2CCCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000643502242 430610063 /nfs/dbraw/zinc/61/00/63/430610063.db2.gz AVAVLHIHALQQFA-QRQLOZEOSA-N 1 3 301.478 2.771 20 0 DFADHO c1ccc2nc(NCC[NH2+]C3CCN(CC4CC4)CC3)ccc2c1 ZINC000553261583 430612373 /nfs/dbraw/zinc/61/23/73/430612373.db2.gz KBZRIEHAKXJWFY-UHFFFAOYSA-N 1 3 324.472 3.111 20 0 DFADHO COc1cc([C@H](C)N[C@H]2CC23CC[NH2+]CC3)cc(OC)c1OC ZINC000643534053 430612490 /nfs/dbraw/zinc/61/24/90/430612490.db2.gz KIQWUQMWMYNKEJ-LRDDRELGSA-N 1 3 320.433 2.505 20 0 DFADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc2[nH]c(=O)oc2c1 ZINC000643523812 430612742 /nfs/dbraw/zinc/61/27/42/430612742.db2.gz VJOQLCYPWKPTOM-LLVKDONJSA-N 1 3 309.369 2.987 20 0 DFADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1cc(-c2ccccc2)nn1C ZINC000643536937 430614280 /nfs/dbraw/zinc/61/42/80/430614280.db2.gz YWKIQHINFXZAGZ-RDTXWAMCSA-N 1 3 310.445 2.880 20 0 DFADHO Cn1cc([C@H](NC[C@H]2CCC[C@H]([NH3+])C2)c2cccc(F)c2)cn1 ZINC000643541141 430614668 /nfs/dbraw/zinc/61/46/68/430614668.db2.gz PKJKJPLTSDEYFV-DOPJRALCSA-N 1 3 316.424 2.756 20 0 DFADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1cnn(Cc2ccccc2)c1 ZINC000643535034 430614876 /nfs/dbraw/zinc/61/48/76/430614876.db2.gz HWJDXJLYSLERLA-YJBOKZPZSA-N 1 3 310.445 2.724 20 0 DFADHO CO[C@H](C[NH2+]C[C@@H]1CCCN(CC2CC2)C1)Cc1ccccc1 ZINC000639338802 430615092 /nfs/dbraw/zinc/61/50/92/430615092.db2.gz WTBHYLCCVMVQTF-PMACEKPBSA-N 1 3 316.489 2.956 20 0 DFADHO CC(C)[NH2+]CCC(=O)NCc1ccccc1CN1CCCCC1 ZINC000553975028 430625747 /nfs/dbraw/zinc/62/57/47/430625747.db2.gz QGZRXJSXGPDSPW-UHFFFAOYSA-N 1 3 317.477 2.677 20 0 DFADHO C[C@@H](c1ccccc1)[C@H](O)CNCC1(C[NH+](C)C)CCCC1 ZINC000571517057 430632657 /nfs/dbraw/zinc/63/26/57/430632657.db2.gz BBTRERRUUPLKSW-FUHWJXTLSA-N 1 3 304.478 2.863 20 0 DFADHO CC(C)n1cc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cn1 ZINC000554550943 430642432 /nfs/dbraw/zinc/64/24/32/430642432.db2.gz UYZPQQHMKHBWEA-KRWDZBQOSA-N 1 3 321.513 2.531 20 0 DFADHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000571722137 430647733 /nfs/dbraw/zinc/64/77/33/430647733.db2.gz ZSSAXCDVYAXFSH-INIZCTEOSA-N 1 3 323.525 2.734 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000571938899 430663325 /nfs/dbraw/zinc/66/33/25/430663325.db2.gz MHDLBTVEGAKBCO-DLBZAZTESA-N 1 3 309.498 2.584 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc3c2CCOC3)[C@@H](C)C1 ZINC000639531846 430664286 /nfs/dbraw/zinc/66/42/86/430664286.db2.gz BMZNUDNDEAMKDQ-KXBFYZLASA-N 1 3 302.462 2.921 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc3c2CCOC3)[C@@H](C)C1 ZINC000639531846 430664289 /nfs/dbraw/zinc/66/42/89/430664289.db2.gz BMZNUDNDEAMKDQ-KXBFYZLASA-N 1 3 302.462 2.921 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCNCC[N@H+]1CCC[C@@H](C)C1 ZINC000555903568 430676236 /nfs/dbraw/zinc/67/62/36/430676236.db2.gz KGLDRDUSYYDEOW-CQSZACIVSA-N 1 3 321.440 2.784 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCNCC[N@@H+]1CCC[C@@H](C)C1 ZINC000555903568 430676237 /nfs/dbraw/zinc/67/62/37/430676237.db2.gz KGLDRDUSYYDEOW-CQSZACIVSA-N 1 3 321.440 2.784 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C)[C@H]2c2ccccc2)CN1C1CC1 ZINC000367337195 278026043 /nfs/dbraw/zinc/02/60/43/278026043.db2.gz YDMNYFJPQAYRKZ-HYJFEMIMSA-N 1 3 313.489 2.894 20 0 DFADHO COc1cccc2c1CC[N@H+](CCCN1CCCCC1)CC2 ZINC000193710369 278027551 /nfs/dbraw/zinc/02/75/51/278027551.db2.gz KDXNVOUPFKIPCB-UHFFFAOYSA-N 1 3 302.462 2.972 20 0 DFADHO COc1cccc2c1CC[N@@H+](CCCN1CCCCC1)CC2 ZINC000193710369 278027552 /nfs/dbraw/zinc/02/75/52/278027552.db2.gz KDXNVOUPFKIPCB-UHFFFAOYSA-N 1 3 302.462 2.972 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000572392068 430685760 /nfs/dbraw/zinc/68/57/60/430685760.db2.gz HKGAZYYLNKCIIJ-BRWVUGGUSA-N 1 3 323.525 2.911 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(Cc2cnn(CC(F)F)c2)CC1 ZINC000556800905 430693075 /nfs/dbraw/zinc/69/30/75/430693075.db2.gz MGICZNFVFGBJOD-UHFFFAOYSA-N 1 3 314.424 2.700 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(Cc2cnn(CC(F)F)c2)CC1 ZINC000556800905 430693077 /nfs/dbraw/zinc/69/30/77/430693077.db2.gz MGICZNFVFGBJOD-UHFFFAOYSA-N 1 3 314.424 2.700 20 0 DFADHO C[C@@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)CN(C)C ZINC000293805693 278282418 /nfs/dbraw/zinc/28/24/18/278282418.db2.gz VHLNMCPUAGYWBO-XVTSOASTSA-N 1 3 315.461 2.606 20 0 DFADHO C[C@@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000248177992 278285988 /nfs/dbraw/zinc/28/59/88/278285988.db2.gz VXLXETCUIYUADR-VXIBKDFQSA-N 1 3 303.494 2.825 20 0 DFADHO C[C@@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000248177992 278285989 /nfs/dbraw/zinc/28/59/89/278285989.db2.gz VXLXETCUIYUADR-VXIBKDFQSA-N 1 3 303.494 2.825 20 0 DFADHO C[C@@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000248177992 278285990 /nfs/dbraw/zinc/28/59/90/278285990.db2.gz VXLXETCUIYUADR-VXIBKDFQSA-N 1 3 303.494 2.825 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN[C@H](C)C1(c2ccccc2)CCCC1 ZINC000572896580 430697923 /nfs/dbraw/zinc/69/79/23/430697923.db2.gz WVQRWXALRIXDEL-SJLPKXTDSA-N 1 3 304.478 2.789 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN[C@H](C)C1(c2ccccc2)CCCC1 ZINC000572896580 430697924 /nfs/dbraw/zinc/69/79/24/430697924.db2.gz WVQRWXALRIXDEL-SJLPKXTDSA-N 1 3 304.478 2.789 20 0 DFADHO C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CCCC1 ZINC000184687337 278338484 /nfs/dbraw/zinc/33/84/84/278338484.db2.gz IORBWWDVFIKCBP-CRAIPNDOSA-N 1 3 317.477 2.574 20 0 DFADHO CO[C@H](C[NH2+]Cc1ccc(OCCN(C)C)cc1)C1CCCC1 ZINC000657766457 430730348 /nfs/dbraw/zinc/73/03/48/430730348.db2.gz IQWTYVWPUXWRPL-LJQANCHMSA-N 1 3 320.477 2.922 20 0 DFADHO COC[C@H](C)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657774577 430731139 /nfs/dbraw/zinc/73/11/39/430731139.db2.gz ZSASIOYOVXPVBE-WMZOPIPTSA-N 1 3 302.462 2.913 20 0 DFADHO COC[C@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774577 430731145 /nfs/dbraw/zinc/73/11/45/430731145.db2.gz ZSASIOYOVXPVBE-WMZOPIPTSA-N 1 3 302.462 2.913 20 0 DFADHO COC[C@@H](C)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657774571 430732561 /nfs/dbraw/zinc/73/25/61/430732561.db2.gz ZSASIOYOVXPVBE-AEFFLSMTSA-N 1 3 302.462 2.913 20 0 DFADHO COC[C@@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774571 430732563 /nfs/dbraw/zinc/73/25/63/430732563.db2.gz ZSASIOYOVXPVBE-AEFFLSMTSA-N 1 3 302.462 2.913 20 0 DFADHO CN1CCCN(CCC[NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000651221706 430742663 /nfs/dbraw/zinc/74/26/63/430742663.db2.gz CIIUGMUSGZWCFT-FQEVSTJZSA-N 1 3 315.505 2.551 20 0 DFADHO CCOC[C@@H](O)CNCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000644531351 430745971 /nfs/dbraw/zinc/74/59/71/430745971.db2.gz NPXWWTZJCAKULS-IBGZPJMESA-N 1 3 320.477 2.550 20 0 DFADHO C[N@H+](C[C@@H](O)CNCC1(c2ccc(Cl)cc2)CCC1)C1CC1 ZINC000644540649 430747633 /nfs/dbraw/zinc/74/76/33/430747633.db2.gz WSAMRROZLINEDJ-KRWDZBQOSA-N 1 3 322.880 2.806 20 0 DFADHO C[N@@H+](C[C@@H](O)CNCC1(c2ccc(Cl)cc2)CCC1)C1CC1 ZINC000644540649 430747638 /nfs/dbraw/zinc/74/76/38/430747638.db2.gz WSAMRROZLINEDJ-KRWDZBQOSA-N 1 3 322.880 2.806 20 0 DFADHO COC1([C@@H](C)[NH2+]CCc2ccc(OCCN(C)C)cc2)CCC1 ZINC000657872301 430756520 /nfs/dbraw/zinc/75/65/20/430756520.db2.gz MSMOPPRZKBARLJ-MRXNPFEDSA-N 1 3 320.477 2.717 20 0 DFADHO CC(C)[C@H](NC[C@@H](O)C[NH+](C)C)c1ccc2c(c1)CCCC2 ZINC000657876634 430759905 /nfs/dbraw/zinc/75/99/05/430759905.db2.gz YRKNEUDWUJGECA-MOPGFXCFSA-N 1 3 304.478 2.775 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000644583796 430759982 /nfs/dbraw/zinc/75/99/82/430759982.db2.gz KMSZJLSKWOOXOZ-GJZGRUSLSA-N 1 3 321.440 2.925 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000644583796 430759987 /nfs/dbraw/zinc/75/99/87/430759987.db2.gz KMSZJLSKWOOXOZ-GJZGRUSLSA-N 1 3 321.440 2.925 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1cccc(F)c1F ZINC000658105526 430812841 /nfs/dbraw/zinc/81/28/41/430812841.db2.gz AVAUAZKGCJVBBZ-KBPBESRZSA-N 1 3 313.436 2.887 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1cc(F)ccc1F ZINC000658109712 430814716 /nfs/dbraw/zinc/81/47/16/430814716.db2.gz VJALTPMIFWLCHV-KBPBESRZSA-N 1 3 313.436 2.887 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCSCC3)cc2)C1 ZINC000658136324 430820898 /nfs/dbraw/zinc/82/08/98/430820898.db2.gz HVCJOZWDBMQEPW-MSOLQXFVSA-N 1 3 320.502 2.629 20 0 DFADHO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658140350 430822857 /nfs/dbraw/zinc/82/28/57/430822857.db2.gz PZZNQKRZHZBRNE-ROUUACIJSA-N 1 3 302.462 2.922 20 0 DFADHO CC(C)[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C1CC1 ZINC000658139899 430823043 /nfs/dbraw/zinc/82/30/43/430823043.db2.gz NZGSJBWPMHILRD-MOPGFXCFSA-N 1 3 302.462 2.777 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2)C1 ZINC000658139307 430823251 /nfs/dbraw/zinc/82/32/51/430823251.db2.gz QNARDTOKSQPNMJ-QZTJIDSGSA-N 1 3 300.446 2.676 20 0 DFADHO COC1([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)CCC1 ZINC000658164344 430831472 /nfs/dbraw/zinc/83/14/72/430831472.db2.gz NIAMGXWRYXDJJR-INIZCTEOSA-N 1 3 317.477 2.841 20 0 DFADHO COc1cc(OC)c(CN(C)CC2CC[NH+](C)CC2)cc1F ZINC000651632002 430834999 /nfs/dbraw/zinc/83/49/99/430834999.db2.gz BTRFRZJFNHHXEQ-UHFFFAOYSA-N 1 3 310.413 2.617 20 0 DFADHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1nccs1 ZINC000658068789 430798087 /nfs/dbraw/zinc/79/80/87/430798087.db2.gz ZWTJIRBTSYQFJY-ZDUSSCGKSA-N 1 3 309.479 2.685 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661665634 430798397 /nfs/dbraw/zinc/79/83/97/430798397.db2.gz LEEDOXARLVEKCJ-GBESFXJTSA-N 1 3 302.462 2.569 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661665634 430798401 /nfs/dbraw/zinc/79/84/01/430798401.db2.gz LEEDOXARLVEKCJ-GBESFXJTSA-N 1 3 302.462 2.569 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661665634 430798403 /nfs/dbraw/zinc/79/84/03/430798403.db2.gz LEEDOXARLVEKCJ-GBESFXJTSA-N 1 3 302.462 2.569 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661665634 430798406 /nfs/dbraw/zinc/79/84/06/430798406.db2.gz LEEDOXARLVEKCJ-GBESFXJTSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@H](NCc1c(F)cccc1-n1cccn1)C1CC[NH+](C)CC1 ZINC000651467870 430803000 /nfs/dbraw/zinc/80/30/00/430803000.db2.gz KJRUFUWORHNBKZ-AWEZNQCLSA-N 1 3 316.424 2.831 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000658252061 430852484 /nfs/dbraw/zinc/85/24/84/430852484.db2.gz IJDCJZVPJIKBFZ-SPUZQDLCSA-N 1 3 306.494 2.923 20 0 DFADHO CCc1cccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000651710407 430855374 /nfs/dbraw/zinc/85/53/74/430855374.db2.gz AAPCHRKSXBLSAF-LJQANCHMSA-N 1 3 302.462 2.982 20 0 DFADHO COC[C@H](CC(C)(C)C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000651720919 430858468 /nfs/dbraw/zinc/85/84/68/430858468.db2.gz OBWMMUNTFRUXQE-ZACQAIPSSA-N 1 3 314.514 2.917 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc3cnccc3o2)C[C@@H](C)O1 ZINC000651721047 430858538 /nfs/dbraw/zinc/85/85/38/430858538.db2.gz RGWVVYKRASEBPY-HUUCEWRRSA-N 1 3 317.433 2.807 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NCc1cnnn1-c1ccccc1 ZINC000651749860 430866767 /nfs/dbraw/zinc/86/67/67/430866767.db2.gz LUSODWMOHOBWNO-INIZCTEOSA-N 1 3 315.465 2.867 20 0 DFADHO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCCOC1 ZINC000665257524 430872243 /nfs/dbraw/zinc/87/22/43/430872243.db2.gz LVWIQGNWNYWYOT-OXXUSNJHSA-N 1 3 306.425 2.676 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccsc1 ZINC000648733466 430874025 /nfs/dbraw/zinc/87/40/25/430874025.db2.gz VBJNLIUWJGCETE-FVQBIDKESA-N 1 3 323.506 2.587 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccsc1 ZINC000648733466 430874026 /nfs/dbraw/zinc/87/40/26/430874026.db2.gz VBJNLIUWJGCETE-FVQBIDKESA-N 1 3 323.506 2.587 20 0 DFADHO CO[C@@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1(C)C ZINC000648742490 430878427 /nfs/dbraw/zinc/87/84/27/430878427.db2.gz NHMXSZJJIZMGLL-GOSISDBHSA-N 1 3 320.477 2.874 20 0 DFADHO c1ccc([C@H]2CC[C@H]2N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000665273712 430878994 /nfs/dbraw/zinc/87/89/94/430878994.db2.gz CELMQTGYGGTQJE-UJWQCDCRSA-N 1 3 300.446 2.679 20 0 DFADHO CCCN1CC[C@H](N[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000665273909 430879365 /nfs/dbraw/zinc/87/93/65/430879365.db2.gz GNCYBXRQXVMJIZ-WDSOQIARSA-N 1 3 317.477 2.562 20 0 DFADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000665280731 430880616 /nfs/dbraw/zinc/88/06/16/430880616.db2.gz JVNGGHJRTNGBHQ-SWLSCSKDSA-N 1 3 303.450 2.940 20 0 DFADHO C[C@@H](NCc1cccc2c1OC(F)(F)O2)C1CC[NH+](C)CC1 ZINC000658342065 430881794 /nfs/dbraw/zinc/88/17/94/430881794.db2.gz FQRTYFCNFKEQJK-LLVKDONJSA-N 1 3 312.360 2.828 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@H]2CCN2Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000658349380 430883152 /nfs/dbraw/zinc/88/31/52/430883152.db2.gz SVZPXQYWQNXAJT-LWYYNNOASA-N 1 3 313.489 2.723 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@H]2CCN2Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000658349380 430883154 /nfs/dbraw/zinc/88/31/54/430883154.db2.gz SVZPXQYWQNXAJT-LWYYNNOASA-N 1 3 313.489 2.723 20 0 DFADHO C[C@@H](NCC1CC[NH+](CC2CC2)CC1)c1cc2n(n1)CCCC2 ZINC000658353747 430883516 /nfs/dbraw/zinc/88/35/16/430883516.db2.gz QXNHIQCMDJMQNP-OAHLLOKOSA-N 1 3 316.493 2.992 20 0 DFADHO C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000665288977 430886688 /nfs/dbraw/zinc/88/66/88/430886688.db2.gz CGJGMQFDHHUGSI-AWEZNQCLSA-N 1 3 321.465 2.538 20 0 DFADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1F ZINC000665161983 430840924 /nfs/dbraw/zinc/84/09/24/430840924.db2.gz LUIOTVLIADDPKA-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1F ZINC000665161983 430840928 /nfs/dbraw/zinc/84/09/28/430840928.db2.gz LUIOTVLIADDPKA-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299913 430890603 /nfs/dbraw/zinc/89/06/03/430890603.db2.gz VILFNBNLIUCBCB-PBHICJAKSA-N 1 3 316.493 2.621 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299913 430890607 /nfs/dbraw/zinc/89/06/07/430890607.db2.gz VILFNBNLIUCBCB-PBHICJAKSA-N 1 3 316.493 2.621 20 0 DFADHO c1cn2c(n1)[C@@H](N[C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCc1ccccc1-2 ZINC000665299423 430891533 /nfs/dbraw/zinc/89/15/33/430891533.db2.gz MSFNHGPDZZJGTE-MLHJIOFPSA-N 1 3 322.456 2.837 20 0 DFADHO CC[C@@H](C)N1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000648796381 430895090 /nfs/dbraw/zinc/89/50/90/430895090.db2.gz KTGRYNCTWBZFPX-QGZVFWFLSA-N 1 3 319.493 2.543 20 0 DFADHO CC[N@H+](CCCNC[C@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000651909547 430913274 /nfs/dbraw/zinc/91/32/74/430913274.db2.gz NZAZTOCDAKYCSZ-INIZCTEOSA-N 1 3 319.497 2.559 20 0 DFADHO CC[N@@H+](CCCNC[C@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000651909547 430913280 /nfs/dbraw/zinc/91/32/80/430913280.db2.gz NZAZTOCDAKYCSZ-INIZCTEOSA-N 1 3 319.497 2.559 20 0 DFADHO CC(C)[NH+](CCNC(=O)C(C)(C)[C@H](N)c1ccccc1)C(C)C ZINC000645166975 430922748 /nfs/dbraw/zinc/92/27/48/430922748.db2.gz BZNXGZFPSQRVBB-QGZVFWFLSA-N 1 3 319.493 2.948 20 0 DFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCCCC1 ZINC000655348566 430971580 /nfs/dbraw/zinc/97/15/80/430971580.db2.gz BZJOXLHHELASOX-FGTMMUONSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCCCC1 ZINC000655348566 430971585 /nfs/dbraw/zinc/97/15/85/430971585.db2.gz BZJOXLHHELASOX-FGTMMUONSA-N 1 3 321.509 2.630 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000655409887 430996051 /nfs/dbraw/zinc/99/60/51/430996051.db2.gz KTLAVFZVXWPTQD-INIZCTEOSA-N 1 3 309.498 2.584 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000655409887 430996055 /nfs/dbraw/zinc/99/60/55/430996055.db2.gz KTLAVFZVXWPTQD-INIZCTEOSA-N 1 3 309.498 2.584 20 0 DFADHO C[C@@H](c1cc2ccccc2o1)N(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249018 431012155 /nfs/dbraw/zinc/01/21/55/431012155.db2.gz NJVKTWBJWXJDPF-DZGCQCFKSA-N 1 3 300.402 2.947 20 0 DFADHO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662258322 431020289 /nfs/dbraw/zinc/02/02/89/431020289.db2.gz VSPYBNCKZHGAOQ-ROUUACIJSA-N 1 3 302.462 2.769 20 0 DFADHO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662258322 431020293 /nfs/dbraw/zinc/02/02/93/431020293.db2.gz VSPYBNCKZHGAOQ-ROUUACIJSA-N 1 3 302.462 2.769 20 0 DFADHO CN(CCN(C)c1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662265755 431020791 /nfs/dbraw/zinc/02/07/91/431020791.db2.gz ZDMLZOBEWWNPGX-UHFFFAOYSA-N 1 3 309.457 2.901 20 0 DFADHO [NH3+]CCC[C@H](NC(=O)C[C@H]1NCc2ccccc21)c1ccccc1 ZINC000659322997 431027034 /nfs/dbraw/zinc/02/70/34/431027034.db2.gz UKEYYVXEHWVEPD-RBUKOAKNSA-N 1 3 323.440 2.817 20 0 DFADHO c1ccc(CCC[C@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662283566 431033249 /nfs/dbraw/zinc/03/32/49/431033249.db2.gz AONOQTKDXBDXPW-RBUKOAKNSA-N 1 3 314.473 2.995 20 0 DFADHO c1ccc(CCC[C@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662283566 431033255 /nfs/dbraw/zinc/03/32/55/431033255.db2.gz AONOQTKDXBDXPW-RBUKOAKNSA-N 1 3 314.473 2.995 20 0 DFADHO Clc1ccc([C@H]([NH2+]C[C@H]2CCC3(CNC3)O2)C2CC2)cc1 ZINC000662283577 431033389 /nfs/dbraw/zinc/03/33/89/431033389.db2.gz VEKWHWRRRFWLPD-HZPDHXFCSA-N 1 3 306.837 2.902 20 0 DFADHO Cc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(C)n1 ZINC000652364145 431033553 /nfs/dbraw/zinc/03/35/53/431033553.db2.gz ZLZVKNQIUIXLLL-KURKYZTESA-N 1 3 303.450 2.559 20 0 DFADHO Cc1cccc(NC(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296219 431038441 /nfs/dbraw/zinc/03/84/41/431038441.db2.gz YGRGVGCPVMZSTD-QGZVFWFLSA-N 1 3 315.461 2.645 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000360212749 278870395 /nfs/dbraw/zinc/87/03/95/278870395.db2.gz KTTWKJIBGMJAJM-IAGOWNOFSA-N 1 3 323.456 2.711 20 0 DFADHO Cc1cccc(NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662312921 431042802 /nfs/dbraw/zinc/04/28/02/431042802.db2.gz ATVHQBNOSOFJMG-NVXWUHKLSA-N 1 3 303.450 2.773 20 0 DFADHO C[C@@H]1CCCN(C(=O)C[C@@H]2NCc3ccccc32)[C@@H]1CCC[NH3+] ZINC000659375851 431043868 /nfs/dbraw/zinc/04/38/68/431043868.db2.gz RANOHEKQUVZBQP-FHLIZLRMSA-N 1 3 315.461 2.587 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)N2CCNCC2(C)C)cc1)C(C)C ZINC000649273529 431052985 /nfs/dbraw/zinc/05/29/85/431052985.db2.gz PLMDEWYUNMZWES-UHFFFAOYSA-N 1 3 317.477 2.741 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)N2CCNCC2(C)C)cc1)C(C)C ZINC000649273529 431052989 /nfs/dbraw/zinc/05/29/89/431052989.db2.gz PLMDEWYUNMZWES-UHFFFAOYSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649323658 431067342 /nfs/dbraw/zinc/06/73/42/431067342.db2.gz MUVAPSMATBICOO-HNNXBMFYSA-N 1 3 317.477 2.846 20 0 DFADHO CCN(Cc1ccc(Cl)s1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248781 431013373 /nfs/dbraw/zinc/01/33/73/431013373.db2.gz JHLOZLKRPSWPCE-LLVKDONJSA-N 1 3 300.855 2.744 20 0 DFADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662254822 431015135 /nfs/dbraw/zinc/01/51/35/431015135.db2.gz ADWDZXGMKJDYLK-UNEWFSDZSA-N 1 3 304.409 2.525 20 0 DFADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662254822 431015137 /nfs/dbraw/zinc/01/51/37/431015137.db2.gz ADWDZXGMKJDYLK-UNEWFSDZSA-N 1 3 304.409 2.525 20 0 DFADHO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662254821 431015343 /nfs/dbraw/zinc/01/53/43/431015343.db2.gz ADWDZXGMKJDYLK-UKPHBRMFSA-N 1 3 304.409 2.525 20 0 DFADHO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662254821 431015344 /nfs/dbraw/zinc/01/53/44/431015344.db2.gz ADWDZXGMKJDYLK-UKPHBRMFSA-N 1 3 304.409 2.525 20 0 DFADHO Fc1cccc(CC2CC[NH+](C[C@H]3CCC4(CNC4)O3)CC2)c1 ZINC000662252404 431015625 /nfs/dbraw/zinc/01/56/25/431015625.db2.gz NJVXSKDFBUDZSP-GOSISDBHSA-N 1 3 318.436 2.601 20 0 DFADHO C[C@]1(c2ccccc2)CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662254789 431016549 /nfs/dbraw/zinc/01/65/49/431016549.db2.gz MBKOSIXPNLELHV-MSOLQXFVSA-N 1 3 300.446 2.561 20 0 DFADHO C[C@]1(c2ccccc2)CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662254789 431016554 /nfs/dbraw/zinc/01/65/54/431016554.db2.gz MBKOSIXPNLELHV-MSOLQXFVSA-N 1 3 300.446 2.561 20 0 DFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3NCC3(C)C)cc2)C1 ZINC000645502746 431018446 /nfs/dbraw/zinc/01/84/46/431018446.db2.gz MJOJCHHPMYZOOJ-RHSMWYFYSA-N 1 3 315.461 2.855 20 0 DFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3NCC3(C)C)cc2)C1 ZINC000645502746 431018451 /nfs/dbraw/zinc/01/84/51/431018451.db2.gz MJOJCHHPMYZOOJ-RHSMWYFYSA-N 1 3 315.461 2.855 20 0 DFADHO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662257893 431019360 /nfs/dbraw/zinc/01/93/60/431019360.db2.gz SUFACQAURJPHBK-MSOLQXFVSA-N 1 3 320.452 2.846 20 0 DFADHO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662257893 431019364 /nfs/dbraw/zinc/01/93/64/431019364.db2.gz SUFACQAURJPHBK-MSOLQXFVSA-N 1 3 320.452 2.846 20 0 DFADHO Cc1cc2c(c(C)c1)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CC2 ZINC000655762430 431121975 /nfs/dbraw/zinc/12/19/75/431121975.db2.gz FDBUPKNUTSTBSK-GOSISDBHSA-N 1 3 315.505 2.906 20 0 DFADHO CC[C@H]([NH2+]C)C(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000662502196 431099718 /nfs/dbraw/zinc/09/97/18/431099718.db2.gz JQHISQILVNJGRO-NJAFHUGGSA-N 1 3 317.477 2.668 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662587491 431126175 /nfs/dbraw/zinc/12/61/75/431126175.db2.gz GBPFTOLQDRYYRU-QZTJIDSGSA-N 1 3 321.509 2.522 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H]1CCCc2c(O)cccc21 ZINC000361001988 279109301 /nfs/dbraw/zinc/10/93/01/279109301.db2.gz HSQJGEXXZDIRCS-KRWDZBQOSA-N 1 3 306.450 2.718 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@H]1CCN(C)C[C@H]1C)c1ccccc1 ZINC000359388551 279165525 /nfs/dbraw/zinc/16/55/25/279165525.db2.gz ZSASUATUWNNQSX-NZSAHSFTSA-N 1 3 303.494 2.999 20 0 DFADHO Cc1ccccc1C1([NH2+]CCCN2CCN(C(C)C)CC2)CC1 ZINC000645980757 431135876 /nfs/dbraw/zinc/13/58/76/431135876.db2.gz IPPOZMFMSQZKGE-UHFFFAOYSA-N 1 3 315.505 2.990 20 0 DFADHO CC(C)Cc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000268973518 279242573 /nfs/dbraw/zinc/24/25/73/279242573.db2.gz IMJYWNCQIKWJCT-MRXNPFEDSA-N 1 3 304.478 2.992 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363918571 279247142 /nfs/dbraw/zinc/24/71/42/279247142.db2.gz CZJIQDQEQHCVKD-KBRIMQKVSA-N 1 3 319.424 2.759 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363918571 279247145 /nfs/dbraw/zinc/24/71/45/279247145.db2.gz CZJIQDQEQHCVKD-KBRIMQKVSA-N 1 3 319.424 2.759 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCC(C)(C)C1 ZINC000359040433 279329568 /nfs/dbraw/zinc/32/95/68/279329568.db2.gz KYICQEAPEGMPJB-IRXDYDNUSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCC(C)(C)C1 ZINC000359040433 279329569 /nfs/dbraw/zinc/32/95/69/279329569.db2.gz KYICQEAPEGMPJB-IRXDYDNUSA-N 1 3 323.525 2.687 20 0 DFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCS[C@H](C)C2)CC1 ZINC000131394390 279375641 /nfs/dbraw/zinc/37/56/41/279375641.db2.gz LHOJVRLODHRNAC-MRXNPFEDSA-N 1 3 319.518 2.766 20 0 DFADHO CCN1CCN(c2ccccc2C[N@H+]2CCS[C@H](C)C2)CC1 ZINC000131394390 279375642 /nfs/dbraw/zinc/37/56/42/279375642.db2.gz LHOJVRLODHRNAC-MRXNPFEDSA-N 1 3 319.518 2.766 20 0 DFADHO Cc1c(F)cccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666245365 431163741 /nfs/dbraw/zinc/16/37/41/431163741.db2.gz WGQIEQCABIXMDC-ZDUSSCGKSA-N 1 3 324.444 2.528 20 0 DFADHO Cc1c(F)cccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666245365 431163745 /nfs/dbraw/zinc/16/37/45/431163745.db2.gz WGQIEQCABIXMDC-ZDUSSCGKSA-N 1 3 324.444 2.528 20 0 DFADHO CC(C)C[C@H](C[NH3+])CC(=O)N(CCN(C)C)c1ccccc1 ZINC000662698178 431164610 /nfs/dbraw/zinc/16/46/10/431164610.db2.gz IQJXXXQOJABBCK-INIZCTEOSA-N 1 3 305.466 2.592 20 0 DFADHO CCc1ccccc1CCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106199 431186802 /nfs/dbraw/zinc/18/68/02/431186802.db2.gz SDACDTACZNBTMV-UHFFFAOYSA-N 1 3 302.462 2.588 20 0 DFADHO CCC[C@H](O)CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603343 431191619 /nfs/dbraw/zinc/19/16/19/431191619.db2.gz HXKNEPQUKVTCOP-HOTGVXAUSA-N 1 3 310.507 2.971 20 0 DFADHO CCC[C@H](O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603343 431191624 /nfs/dbraw/zinc/19/16/24/431191624.db2.gz HXKNEPQUKVTCOP-HOTGVXAUSA-N 1 3 310.507 2.971 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@@H]3CCCO3)C2)s1 ZINC000649604448 431191882 /nfs/dbraw/zinc/19/18/82/431191882.db2.gz FKNMJVLBEJQBTA-HOTGVXAUSA-N 1 3 308.491 2.989 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@@H]3CCCO3)C2)s1 ZINC000649604448 431191887 /nfs/dbraw/zinc/19/18/87/431191887.db2.gz FKNMJVLBEJQBTA-HOTGVXAUSA-N 1 3 308.491 2.989 20 0 DFADHO CCC[C@@H](O)CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603345 431192523 /nfs/dbraw/zinc/19/25/23/431192523.db2.gz HXKNEPQUKVTCOP-JKSUJKDBSA-N 1 3 310.507 2.971 20 0 DFADHO CCC[C@@H](O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603345 431192529 /nfs/dbraw/zinc/19/25/29/431192529.db2.gz HXKNEPQUKVTCOP-JKSUJKDBSA-N 1 3 310.507 2.971 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@H]3CCCOC3)C2)s1 ZINC000649603486 431192975 /nfs/dbraw/zinc/19/29/75/431192975.db2.gz OWANMJRLQYUEQF-HOTGVXAUSA-N 1 3 308.491 2.989 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H]3CCCOC3)C2)s1 ZINC000649603486 431192979 /nfs/dbraw/zinc/19/29/79/431192979.db2.gz OWANMJRLQYUEQF-HOTGVXAUSA-N 1 3 308.491 2.989 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000655907394 431211097 /nfs/dbraw/zinc/21/10/97/431211097.db2.gz IBXAYLLHDNQTRR-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000655909883 431214721 /nfs/dbraw/zinc/21/47/21/431214721.db2.gz OIFATUZDPVYGRO-UHFFFAOYSA-N 1 3 316.449 2.628 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000655909883 431214726 /nfs/dbraw/zinc/21/47/26/431214726.db2.gz OIFATUZDPVYGRO-UHFFFAOYSA-N 1 3 316.449 2.628 20 0 DFADHO C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000655909409 431215089 /nfs/dbraw/zinc/21/50/89/431215089.db2.gz JBRYBDPKSKOIML-DLBZAZTESA-N 1 3 316.449 2.544 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000655948032 431225683 /nfs/dbraw/zinc/22/56/83/431225683.db2.gz WHTFFUMQAMQNLL-LPHOPBHVSA-N 1 3 318.461 2.771 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000655948032 431225690 /nfs/dbraw/zinc/22/56/90/431225690.db2.gz WHTFFUMQAMQNLL-LPHOPBHVSA-N 1 3 318.461 2.771 20 0 DFADHO C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@H](N)c1ccccc1 ZINC000662890900 431229660 /nfs/dbraw/zinc/22/96/60/431229660.db2.gz QCRTYBQHZPAHNQ-AHCXZYCDSA-N 1 3 317.477 2.689 20 0 DFADHO COC1([C@H](C)[NH2+]Cc2ccc(OCCN(C)C)cc2)CCC1 ZINC000666454008 431235834 /nfs/dbraw/zinc/23/58/34/431235834.db2.gz LOSQSRYXCPFMDZ-HNNXBMFYSA-N 1 3 306.450 2.674 20 0 DFADHO [NH3+]Cc1cccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000653043444 431240249 /nfs/dbraw/zinc/24/02/49/431240249.db2.gz WPODOMAPJCWWAS-OLZOCXBDSA-N 1 3 316.323 2.831 20 0 DFADHO CCOCCOCc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000656197192 431304168 /nfs/dbraw/zinc/30/41/68/431304168.db2.gz MLJUBTLMQXQQPT-ZWKOTPCHSA-N 1 3 306.450 2.599 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)C1 ZINC000656198812 431304644 /nfs/dbraw/zinc/30/46/44/431304644.db2.gz XRRUXYKVFAAWQW-YDZRNGNQSA-N 1 3 320.452 2.759 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)C1 ZINC000656198812 431304648 /nfs/dbraw/zinc/30/46/48/431304648.db2.gz XRRUXYKVFAAWQW-YDZRNGNQSA-N 1 3 320.452 2.759 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000656201589 431305403 /nfs/dbraw/zinc/30/54/03/431305403.db2.gz SCGMUHIEGCMZNI-WBAXXEDZSA-N 1 3 302.466 2.516 20 0 DFADHO CC[N@H+](CCCNC(=O)[C@@]1(C)CCCCN1)C1CCCCC1 ZINC000653200940 431305644 /nfs/dbraw/zinc/30/56/44/431305644.db2.gz VDTONTQULWZJAX-GOSISDBHSA-N 1 3 309.498 2.680 20 0 DFADHO CC[N@@H+](CCCNC(=O)[C@@]1(C)CCCCN1)C1CCCCC1 ZINC000653200940 431305651 /nfs/dbraw/zinc/30/56/51/431305651.db2.gz VDTONTQULWZJAX-GOSISDBHSA-N 1 3 309.498 2.680 20 0 DFADHO C[C@H](Cc1ccccn1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656201472 431306057 /nfs/dbraw/zinc/30/60/57/431306057.db2.gz PTJDGYCFDCVHLN-MOXGXCLJSA-N 1 3 323.440 2.858 20 0 DFADHO CC(C)[C@H]1CN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CCN1 ZINC000646329643 431269786 /nfs/dbraw/zinc/26/97/86/431269786.db2.gz RFVFREGFNNWNMK-DLBZAZTESA-N 1 3 309.498 2.521 20 0 DFADHO COc1cc2nccc(N3CCCC[C@@H]3CC[NH3+])c2cc1OC ZINC000663239582 431337172 /nfs/dbraw/zinc/33/71/72/431337172.db2.gz MVPUOOUVEWNRBW-CYBMUJFWSA-N 1 3 315.417 2.960 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)C[C@@H](C)O1 ZINC000248547849 288153404 /nfs/dbraw/zinc/15/34/04/288153404.db2.gz GKHGVYZBVCBQIK-JFIYKMOQSA-N 1 3 324.509 2.765 20 0 DFADHO C[C@H](NCCO[C@@H]1CC1(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256400 431344781 /nfs/dbraw/zinc/34/47/81/431344781.db2.gz LUATZTFUKBPLSK-KCQAQPDRSA-N 1 3 302.409 2.653 20 0 DFADHO C[C@H](NCCO[C@@H]1CC1(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256400 431344789 /nfs/dbraw/zinc/34/47/89/431344789.db2.gz LUATZTFUKBPLSK-KCQAQPDRSA-N 1 3 302.409 2.653 20 0 DFADHO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@H]1CCCN(C2CCC2)C1 ZINC000660256400 431344794 /nfs/dbraw/zinc/34/47/94/431344794.db2.gz LUATZTFUKBPLSK-KCQAQPDRSA-N 1 3 302.409 2.653 20 0 DFADHO CC(C)CNC(=O)CCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000660256002 431344842 /nfs/dbraw/zinc/34/48/42/431344842.db2.gz HNAIASHCISRPFK-IRXDYDNUSA-N 1 3 323.525 2.781 20 0 DFADHO c1cncc(C[NH2+]CCCNCc2ccc3cnccc3c2)c1 ZINC000666805814 431364464 /nfs/dbraw/zinc/36/44/64/431364464.db2.gz HXOZXFCDWZJODP-UHFFFAOYSA-N 1 3 306.413 2.899 20 0 DFADHO COc1cc(CN[C@@H]2CC23CC[NH2+]CC3)c(SC)cc1OC ZINC000666952287 431423491 /nfs/dbraw/zinc/42/34/91/431423491.db2.gz OPUNGIOGFVPFTB-MRXNPFEDSA-N 1 3 322.474 2.657 20 0 DFADHO CC(C)(C)[C@H](N)c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455338 431391269 /nfs/dbraw/zinc/39/12/69/431391269.db2.gz DKFKHKZQFAHVOR-NVXWUHKLSA-N 1 3 313.449 2.771 20 0 DFADHO CC(C)(C)[C@H](N)c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455338 431391276 /nfs/dbraw/zinc/39/12/76/431391276.db2.gz DKFKHKZQFAHVOR-NVXWUHKLSA-N 1 3 313.449 2.771 20 0 DFADHO CCc1ccccc1[C@@H](N)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000647084392 431456041 /nfs/dbraw/zinc/45/60/41/431456041.db2.gz WPVZNUQWDGXZGG-WMZOPIPTSA-N 1 3 317.477 2.630 20 0 DFADHO CCc1ccccc1[C@@H](N)CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000647084392 431456053 /nfs/dbraw/zinc/45/60/53/431456053.db2.gz WPVZNUQWDGXZGG-WMZOPIPTSA-N 1 3 317.477 2.630 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@@H]3CCC[C@H]3C[NH3+])n2)cc1 ZINC000647121382 431466327 /nfs/dbraw/zinc/46/63/27/431466327.db2.gz WTHMLROTMGBIIL-LSDHHAIUSA-N 1 3 300.406 2.641 20 0 DFADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCCN(CC4CC4)C3)C[C@H]2C1 ZINC000663463649 431428852 /nfs/dbraw/zinc/42/88/52/431428852.db2.gz AQPBKDOSYUZHBZ-FQBWVUSXSA-N 1 3 306.494 2.902 20 0 DFADHO FCCOCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000663463281 431429205 /nfs/dbraw/zinc/42/92/05/431429205.db2.gz ZDCLKNHOVDOBIA-AYHJJNSGSA-N 1 3 306.425 2.758 20 0 DFADHO FCCOCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000663463281 431429212 /nfs/dbraw/zinc/42/92/12/431429212.db2.gz ZDCLKNHOVDOBIA-AYHJJNSGSA-N 1 3 306.425 2.758 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cn1 ZINC000663465978 431432560 /nfs/dbraw/zinc/43/25/60/431432560.db2.gz MMKMZCRNDAQIEQ-QAPCUYQASA-N 1 3 317.477 2.733 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663465978 431432567 /nfs/dbraw/zinc/43/25/67/431432567.db2.gz MMKMZCRNDAQIEQ-QAPCUYQASA-N 1 3 317.477 2.733 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663465978 431432573 /nfs/dbraw/zinc/43/25/73/431432573.db2.gz MMKMZCRNDAQIEQ-QAPCUYQASA-N 1 3 317.477 2.733 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1cccc(CO)c1 ZINC000663471818 431436527 /nfs/dbraw/zinc/43/65/27/431436527.db2.gz YMWJHGYVRQEWOX-MAUKXSAKSA-N 1 3 302.462 2.952 20 0 DFADHO C(c1nc2c(s1)CCC2)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783878 431518995 /nfs/dbraw/zinc/51/89/95/431518995.db2.gz VRTRJIXHHWVAIE-CQSZACIVSA-N 1 3 305.491 2.843 20 0 DFADHO CC(C)(C)n1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000656785217 431521848 /nfs/dbraw/zinc/52/18/48/431521848.db2.gz KRRLQRRGUCDZAH-QGZVFWFLSA-N 1 3 304.482 2.850 20 0 DFADHO Clc1ccccc1N1CC[C@@H](C[NH2+]C[C@H]2CCCNC2)C1 ZINC000656787880 431522189 /nfs/dbraw/zinc/52/21/89/431522189.db2.gz YCMBFABKTCGLOG-GJZGRUSLSA-N 1 3 307.869 2.756 20 0 DFADHO COc1cccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1OC ZINC000656785940 431522964 /nfs/dbraw/zinc/52/29/64/431522964.db2.gz NOFNCOFQLYZXQC-INIZCTEOSA-N 1 3 318.461 2.915 20 0 DFADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCC[C@@H]2CCOC2)cc1 ZINC000656790074 431525453 /nfs/dbraw/zinc/52/54/53/431525453.db2.gz IQTODIZOKWWXGM-MNEFBYGVSA-N 1 3 318.461 2.547 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000656700352 431485645 /nfs/dbraw/zinc/48/56/45/431485645.db2.gz HRHLOXAZFZAGOT-ZWKOTPCHSA-N 1 3 308.441 2.534 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000656700352 431485649 /nfs/dbraw/zinc/48/56/49/431485649.db2.gz HRHLOXAZFZAGOT-ZWKOTPCHSA-N 1 3 308.441 2.534 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000656700349 431486449 /nfs/dbraw/zinc/48/64/49/431486449.db2.gz HRHLOXAZFZAGOT-MSOLQXFVSA-N 1 3 308.441 2.534 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000656700349 431486452 /nfs/dbraw/zinc/48/64/52/431486452.db2.gz HRHLOXAZFZAGOT-MSOLQXFVSA-N 1 3 308.441 2.534 20 0 DFADHO Cc1ccc(-c2nn(C)cc2C[NH2+]CC(C)(C)CN(C)C)o1 ZINC000647166280 431489010 /nfs/dbraw/zinc/48/90/10/431489010.db2.gz HDDMIIANXIECPO-UHFFFAOYSA-N 1 3 304.438 2.666 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663787259 431539335 /nfs/dbraw/zinc/53/93/35/431539335.db2.gz GPXZXWICNRSXNE-INIZCTEOSA-N 1 3 322.412 2.742 20 0 DFADHO O[C@@H]1CCC[C@H](CN2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000660675263 431545502 /nfs/dbraw/zinc/54/55/02/431545502.db2.gz HAXWWUYPYMKGDH-PKOBYXMFSA-N 1 3 302.462 2.792 20 0 DFADHO C[C@]1(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)CC[NH2+]C1 ZINC000262064544 280154767 /nfs/dbraw/zinc/15/47/67/280154767.db2.gz RMCNLROOCBRXPG-RISCZKNCSA-N 1 3 316.371 2.608 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N(C)C)CCC1 ZINC000275685228 288217535 /nfs/dbraw/zinc/21/75/35/288217535.db2.gz IQTQWEOXYQMIFF-MJGOQNOKSA-N 1 3 315.505 2.971 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cnc(C4CC4)s3)C2)C1 ZINC000650707583 431652510 /nfs/dbraw/zinc/65/25/10/431652510.db2.gz IZGYNUHTKWAQHT-LZWOXQAQSA-N 1 3 321.490 2.739 20 0 DFADHO COc1cccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1F ZINC000650707847 431653467 /nfs/dbraw/zinc/65/34/67/431653467.db2.gz ODOJOJIOAXBQSN-LXZKKBNFSA-N 1 3 322.424 2.553 20 0 DFADHO CCOc1ccccc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705343 431653677 /nfs/dbraw/zinc/65/36/77/431653677.db2.gz FAMTZQJDZUXREV-JENIJYKNSA-N 1 3 318.461 2.804 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cc(F)cc(F)c3)C2)C1 ZINC000650707402 431653753 /nfs/dbraw/zinc/65/37/53/431653753.db2.gz FEJZDPRBCLSXFG-XKQJLSEDSA-N 1 3 310.388 2.683 20 0 DFADHO COc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1F ZINC000650706418 431654524 /nfs/dbraw/zinc/65/45/24/431654524.db2.gz JXZFKOHXNWXECM-MPGHIAIKSA-N 1 3 322.424 2.553 20 0 DFADHO C[C@H]1CCCN(Cc2ccc(C(=O)NC3CC3)cc2)[C@H]1CC[NH3+] ZINC000650710887 431655563 /nfs/dbraw/zinc/65/55/63/431655563.db2.gz BTQNNKCEQYCMMN-KSSFIOAISA-N 1 3 315.461 2.528 20 0 DFADHO Cc1c(Br)cncc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000657306885 431661959 /nfs/dbraw/zinc/66/19/59/431661959.db2.gz AXAHBLPIIYDEOY-LBPRGKRZSA-N 1 3 324.266 2.726 20 0 DFADHO Cc1nn(-c2ccncc2)cc1CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650711202 431656436 /nfs/dbraw/zinc/65/64/36/431656436.db2.gz LJRNXCNGGVPNNS-KSSFIOAISA-N 1 3 313.449 2.525 20 0 DFADHO Cn1c2ccccc2nc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543333 431624185 /nfs/dbraw/zinc/62/41/85/431624185.db2.gz LEKLSIAYWNMVQC-CVEARBPZSA-N 1 3 312.461 2.785 20 0 DFADHO Cc1cccc2ncc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n21 ZINC000647543102 431625021 /nfs/dbraw/zinc/62/50/21/431625021.db2.gz HRQCFMRTTCARBE-IAGOWNOFSA-N 1 3 312.461 2.854 20 0 DFADHO NC[C@H]1C[N@H+](Cc2ccccc2C2CC2)CC12CCOCC2 ZINC000647545433 431625402 /nfs/dbraw/zinc/62/54/02/431625402.db2.gz HACJLUDKDYDHQE-KRWDZBQOSA-N 1 3 300.446 2.751 20 0 DFADHO NC[C@H]1C[N@@H+](Cc2ccccc2C2CC2)CC12CCOCC2 ZINC000647545433 431625407 /nfs/dbraw/zinc/62/54/07/431625407.db2.gz HACJLUDKDYDHQE-KRWDZBQOSA-N 1 3 300.446 2.751 20 0 DFADHO [NH3+]C[C@H]1CN(Cc2ccccc2C2CC2)CC12CCOCC2 ZINC000647545433 431625412 /nfs/dbraw/zinc/62/54/12/431625412.db2.gz HACJLUDKDYDHQE-KRWDZBQOSA-N 1 3 300.446 2.751 20 0 DFADHO Cc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1F ZINC000650723413 431666101 /nfs/dbraw/zinc/66/61/01/431666101.db2.gz NMEWTXAHXDAVAV-CGTJXYLNSA-N 1 3 306.425 2.995 20 0 DFADHO COc1ccc(C)cc1CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650721870 431666483 /nfs/dbraw/zinc/66/64/83/431666483.db2.gz DTMVLUJFXQVYLS-ZHALLVOQSA-N 1 3 318.461 2.864 20 0 DFADHO CC(C)n1cc([C@@H]2OCC[C@H]2[NH2+]CCCN2CCCCC2)cn1 ZINC000660962563 431678824 /nfs/dbraw/zinc/67/88/24/431678824.db2.gz DWWJDTVKAAQOOG-MSOLQXFVSA-N 1 3 320.481 2.760 20 0 DFADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657337371 431684423 /nfs/dbraw/zinc/68/44/23/431684423.db2.gz SFIULJGGZPJSAC-IEBWSBKVSA-N 1 3 318.461 2.676 20 0 DFADHO Cn1c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc2cccc(Cl)c21 ZINC000647795386 431689130 /nfs/dbraw/zinc/68/91/30/431689130.db2.gz PLZBJVWSNJQSOX-FRRDWIJNSA-N 1 3 318.852 2.704 20 0 DFADHO Fc1cc(F)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)c1F ZINC000647795251 431689755 /nfs/dbraw/zinc/68/97/55/431689755.db2.gz MKSPGVLSNWPRBV-IVZWLZJFSA-N 1 3 302.315 2.721 20 0 DFADHO Cc1ccc2oc(N[C@@H](C)C[N@H+](C)CCCN(C)C)nc2c1 ZINC000664195443 431694690 /nfs/dbraw/zinc/69/46/90/431694690.db2.gz CHXDDHQQWCOSHF-AWEZNQCLSA-N 1 3 304.438 2.820 20 0 DFADHO Cc1ccc2oc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc2c1 ZINC000664195443 431694696 /nfs/dbraw/zinc/69/46/96/431694696.db2.gz CHXDDHQQWCOSHF-AWEZNQCLSA-N 1 3 304.438 2.820 20 0 DFADHO CC[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CO1 ZINC000657354593 431696907 /nfs/dbraw/zinc/69/69/07/431696907.db2.gz SGDUOQUITZXMRF-IPMKNSEASA-N 1 3 302.462 2.708 20 0 DFADHO CC[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000657354593 431696912 /nfs/dbraw/zinc/69/69/12/431696912.db2.gz SGDUOQUITZXMRF-IPMKNSEASA-N 1 3 302.462 2.708 20 0 DFADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)Nc1ccccc1Cl ZINC000647814269 431697152 /nfs/dbraw/zinc/69/71/52/431697152.db2.gz GQKRWKMHXPZVHU-UHFFFAOYSA-N 1 3 321.852 2.885 20 0 DFADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)Nc1ccccc1Cl ZINC000647814269 431697154 /nfs/dbraw/zinc/69/71/54/431697154.db2.gz GQKRWKMHXPZVHU-UHFFFAOYSA-N 1 3 321.852 2.885 20 0 DFADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)Nc1ccccc1Cl ZINC000647814269 431697159 /nfs/dbraw/zinc/69/71/59/431697159.db2.gz GQKRWKMHXPZVHU-UHFFFAOYSA-N 1 3 321.852 2.885 20 0 DFADHO CC[C@H]1CN(CCC(=O)Nc2cccc(F)c2C)CC[C@H]1[NH3+] ZINC000647936283 431736332 /nfs/dbraw/zinc/73/63/32/431736332.db2.gz AUWAIHCCACIWGY-DZGCQCFKSA-N 1 3 307.413 2.522 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000661128604 431744153 /nfs/dbraw/zinc/74/41/53/431744153.db2.gz KRQQBSDYUVICTO-QGZVFWFLSA-N 1 3 321.509 2.680 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@@H](C)N(C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000647964464 431755344 /nfs/dbraw/zinc/75/53/44/431755344.db2.gz LNFBKQVMPVYPAY-KURKYZTESA-N 1 3 304.478 2.874 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@@H](C)N(C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000647964464 431755349 /nfs/dbraw/zinc/75/53/49/431755349.db2.gz LNFBKQVMPVYPAY-KURKYZTESA-N 1 3 304.478 2.874 20 0 DFADHO C[C@H](C(=O)NC1CCCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976906 431761256 /nfs/dbraw/zinc/76/12/56/431761256.db2.gz VYDFFCFDQHXQQX-BRWVUGGUSA-N 1 3 321.509 2.535 20 0 DFADHO c1cc(CN(C[C@@H]2CC[NH2+]C2)C2CCCC2)cc2c1OCO2 ZINC000647872652 431714704 /nfs/dbraw/zinc/71/47/04/431714704.db2.gz NVMMDCDBZQUJPL-OAHLLOKOSA-N 1 3 302.418 2.769 20 0 DFADHO Fc1cc(F)cc(CNCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657535899 431799248 /nfs/dbraw/zinc/79/92/48/431799248.db2.gz SUUSGQIKCTVENS-UHFFFAOYSA-N 1 3 324.415 2.945 20 0 DFADHO Fc1ccc(F)c(CNCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657535147 431800777 /nfs/dbraw/zinc/80/07/77/431800777.db2.gz GQNUUYJTBDCYDY-UHFFFAOYSA-N 1 3 324.415 2.945 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc(Cl)ccc1F ZINC000657572761 431816073 /nfs/dbraw/zinc/81/60/73/431816073.db2.gz FJWITTGPHADDNI-ZDUSSCGKSA-N 1 3 315.864 2.841 20 0 DFADHO CCC[C@@H]1CN(C[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000647990904 431767870 /nfs/dbraw/zinc/76/78/70/431767870.db2.gz UDNGWFRFFJGLHN-RBUKOAKNSA-N 1 3 301.478 2.582 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)C1 ZINC000657596609 431820522 /nfs/dbraw/zinc/82/05/22/431820522.db2.gz XSKMHHGLABMOLA-VQIMIIECSA-N 1 3 300.446 2.699 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)C1 ZINC000657596603 431821073 /nfs/dbraw/zinc/82/10/73/431821073.db2.gz XSKMHHGLABMOLA-APWZRJJASA-N 1 3 300.446 2.699 20 0 DFADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccsc3)cc2)C1 ZINC000657593706 431821562 /nfs/dbraw/zinc/82/15/62/431821562.db2.gz CBQKIQFLKMYJRF-QGZVFWFLSA-N 1 3 302.443 2.605 20 0 DFADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccsc3)cc2)C1 ZINC000657593706 431821568 /nfs/dbraw/zinc/82/15/68/431821568.db2.gz CBQKIQFLKMYJRF-QGZVFWFLSA-N 1 3 302.443 2.605 20 0 DFADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(F)cc3)cc2)C1 ZINC000657593495 431821722 /nfs/dbraw/zinc/82/17/22/431821722.db2.gz HZFABLDHNZCYPS-IBGZPJMESA-N 1 3 314.404 2.682 20 0 DFADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(F)cc3)cc2)C1 ZINC000657593495 431821727 /nfs/dbraw/zinc/82/17/27/431821727.db2.gz HZFABLDHNZCYPS-IBGZPJMESA-N 1 3 314.404 2.682 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000657613483 431824698 /nfs/dbraw/zinc/82/46/98/431824698.db2.gz LASDFFZFWBFURC-MNZLEMJZSA-N 1 3 317.477 2.839 20 0 DFADHO Cc1cnccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613528 431825201 /nfs/dbraw/zinc/82/52/01/431825201.db2.gz MPCMAHWGZCLDEU-UHFFFAOYSA-N 1 3 310.445 2.787 20 0 DFADHO Cc1cccc2c1OC[C@H]([NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000297444329 281298555 /nfs/dbraw/zinc/29/85/55/281298555.db2.gz OOALEQUXYBGIHN-GOSISDBHSA-N 1 3 323.440 2.952 20 0 DFADHO C[C@@H]1[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C[C@H]1c1ccccc1 ZINC000374232553 289059707 /nfs/dbraw/zinc/05/97/07/289059707.db2.gz VXNKVGJPZMWPNY-QXAKKESOSA-N 1 3 315.505 2.794 20 0 DFADHO C[C@H](C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N1CCCCCC1 ZINC000357774838 289356621 /nfs/dbraw/zinc/35/66/21/289356621.db2.gz ZNGLYXQOMDMWHX-YESZJQIVSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N1CCCCCC1 ZINC000357774838 289356622 /nfs/dbraw/zinc/35/66/22/289356622.db2.gz ZNGLYXQOMDMWHX-YESZJQIVSA-N 1 3 309.498 2.630 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cc2c(cccc2F)[nH]1 ZINC000436287888 296996834 /nfs/dbraw/zinc/99/68/34/296996834.db2.gz UHEOMEZRKWHUDO-AWEZNQCLSA-N 1 3 307.413 2.753 20 0 DFADHO CC(C)CC[C@@](C)(O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000436469476 297004465 /nfs/dbraw/zinc/00/44/65/297004465.db2.gz BYVZLQJSHNTHJI-GOSISDBHSA-N 1 3 305.466 2.827 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CC[C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000438114862 297080986 /nfs/dbraw/zinc/08/09/86/297080986.db2.gz PIWMBTMGLSAVLN-ZHALLVOQSA-N 1 3 324.509 2.624 20 0 DFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)C(C)(C)c1ccccc1 ZINC000154344570 295297575 /nfs/dbraw/zinc/29/75/75/295297575.db2.gz MZDXRADRPHDVMQ-GOSISDBHSA-N 1 3 317.521 2.970 20 0 DFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2c(c1)CCC2 ZINC000154364038 295298431 /nfs/dbraw/zinc/29/84/31/295298431.db2.gz AFQILTZKVAEPTL-QGZVFWFLSA-N 1 3 315.505 2.854 20 0 DFADHO CC(C)C[C@H](N)C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370763732 295462617 /nfs/dbraw/zinc/46/26/17/295462617.db2.gz OEZFRMJKOSEBDL-PREGVCBESA-N 1 3 309.498 2.519 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412560102 295634102 /nfs/dbraw/zinc/63/41/02/295634102.db2.gz PBNHEPIPAKTJRJ-INIZCTEOSA-N 1 3 309.429 2.993 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000438565724 297098940 /nfs/dbraw/zinc/09/89/40/297098940.db2.gz FJMOQIAEFWNKSO-SFHVURJKSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@H](CNC(=O)[C@@H]1CCCN1C1CCCC1)C[NH+]1CCCCC1 ZINC000438568773 297099065 /nfs/dbraw/zinc/09/90/65/297099065.db2.gz QQOGSRDWWUAFDA-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO CC(C)[NH+](CCNC(=O)[C@H]1CCCN1C1CCCC1)C(C)C ZINC000438568023 297099256 /nfs/dbraw/zinc/09/92/56/297099256.db2.gz OGGNVHSAFWFJSD-QGZVFWFLSA-N 1 3 309.498 2.628 20 0 DFADHO CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C)N(CC)CC ZINC000439701297 297135657 /nfs/dbraw/zinc/13/56/57/297135657.db2.gz JKOQOQRBADGZOZ-IRXDYDNUSA-N 1 3 311.514 2.734 20 0 DFADHO CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C)N(CC)CC ZINC000439701297 297135658 /nfs/dbraw/zinc/13/56/58/297135658.db2.gz JKOQOQRBADGZOZ-IRXDYDNUSA-N 1 3 311.514 2.734 20 0 DFADHO Cc1cc(Cl)ccc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441324684 297179575 /nfs/dbraw/zinc/17/95/75/297179575.db2.gz AQFVUFJEIKNNSL-UHFFFAOYSA-N 1 3 309.885 2.764 20 0 DFADHO C[C@@H]1C[C@H](C[NH3+])CN1CCOc1ccc(C(F)(F)F)cc1 ZINC000442773857 297205566 /nfs/dbraw/zinc/20/55/66/297205566.db2.gz DHEFSXWZFWDGNR-VXGBXAGGSA-N 1 3 302.340 2.753 20 0 DFADHO CCC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccn1 ZINC000442876253 297209305 /nfs/dbraw/zinc/20/93/05/297209305.db2.gz PKBPMXAHVVNBEW-MRXNPFEDSA-N 1 3 304.482 2.538 20 0 DFADHO [NH3+]CC[C@@H]1CCCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000443065997 297214674 /nfs/dbraw/zinc/21/46/74/297214674.db2.gz DDAJYNJWHISNPI-XJKSGUPXSA-N 1 3 321.852 2.506 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000443086847 297215519 /nfs/dbraw/zinc/21/55/19/297215519.db2.gz HRGILBRZYVPQPI-KDOFPFPSSA-N 1 3 321.896 2.628 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000443086847 297215521 /nfs/dbraw/zinc/21/55/21/297215521.db2.gz HRGILBRZYVPQPI-KDOFPFPSSA-N 1 3 321.896 2.628 20 0 DFADHO COC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000446819713 297287320 /nfs/dbraw/zinc/28/73/20/297287320.db2.gz VDFBCZVRXLDULY-JZXOWHBKSA-N 1 3 312.498 2.671 20 0 DFADHO CCC[NH+]1CCC(CN[C@@H](C)c2cc(C(=O)OC)co2)CC1 ZINC000447534836 297307232 /nfs/dbraw/zinc/30/72/32/297307232.db2.gz AIOBBUBMCQKCAO-ZDUSSCGKSA-N 1 3 308.422 2.839 20 0 DFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](N)c1ccccc1 ZINC000448241957 297335601 /nfs/dbraw/zinc/33/56/01/297335601.db2.gz PETLTVKEKJJKBN-QZTJIDSGSA-N 1 3 317.477 2.847 20 0 DFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](N)c1ccccc1 ZINC000448241957 297335602 /nfs/dbraw/zinc/33/56/02/297335602.db2.gz PETLTVKEKJJKBN-QZTJIDSGSA-N 1 3 317.477 2.847 20 0 DFADHO CC1(C)CC[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000449109197 297406827 /nfs/dbraw/zinc/40/68/27/297406827.db2.gz VQYWLLDSMXSIEV-KRWDZBQOSA-N 1 3 316.493 2.762 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@H]2CCCC23CCC3)ccn1 ZINC000449223478 297425442 /nfs/dbraw/zinc/42/54/42/297425442.db2.gz ODGUQLGHAXSINR-INIZCTEOSA-N 1 3 303.450 2.834 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc(OCCN(C)C)c1 ZINC000453339343 298085009 /nfs/dbraw/zinc/08/50/09/298085009.db2.gz BJLLOCTYMBCGHD-HHXXYDBFSA-N 1 3 320.477 2.829 20 0 DFADHO CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453338876 298085046 /nfs/dbraw/zinc/08/50/46/298085046.db2.gz BFCUESIDVJUWKX-WBAXXEDZSA-N 1 3 308.466 2.827 20 0 DFADHO O[C@H]1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453356095 298086448 /nfs/dbraw/zinc/08/64/48/298086448.db2.gz HTHVCVVTQHAAJC-ZWJWXYIHSA-N 1 3 300.446 2.543 20 0 DFADHO O[C@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453356095 298086452 /nfs/dbraw/zinc/08/64/52/298086452.db2.gz HTHVCVVTQHAAJC-ZWJWXYIHSA-N 1 3 300.446 2.543 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)CN(C)C ZINC000496514181 300074037 /nfs/dbraw/zinc/07/40/37/300074037.db2.gz QNCQAYULRLBABF-SOUVJXGZSA-N 1 3 313.486 2.562 20 0 DFADHO C[C@@H](CN[C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)C[NH+](C)C ZINC000496514181 300074040 /nfs/dbraw/zinc/07/40/40/300074040.db2.gz QNCQAYULRLBABF-SOUVJXGZSA-N 1 3 313.486 2.562 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000497012123 300147161 /nfs/dbraw/zinc/14/71/61/300147161.db2.gz AEUYRKSJACSFAZ-OAHLLOKOSA-N 1 3 313.486 2.611 20 0 DFADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000497089565 300159604 /nfs/dbraw/zinc/15/96/04/300159604.db2.gz NHKWEUNPRPXYBN-PPWQZUPISA-N 1 3 311.470 2.505 20 0 DFADHO C[NH+](C)[C@H]1CCC[C@H](NC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000497089565 300159606 /nfs/dbraw/zinc/15/96/06/300159606.db2.gz NHKWEUNPRPXYBN-PPWQZUPISA-N 1 3 311.470 2.505 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000497169280 300172395 /nfs/dbraw/zinc/17/23/95/300172395.db2.gz UBXQTFKPEMALKI-LSDHHAIUSA-N 1 3 313.486 2.706 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000497169280 300172398 /nfs/dbraw/zinc/17/23/98/300172398.db2.gz UBXQTFKPEMALKI-LSDHHAIUSA-N 1 3 313.486 2.706 20 0 DFADHO COC(=O)[C@H](C)CN(C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000509771670 300243395 /nfs/dbraw/zinc/24/33/95/300243395.db2.gz GZKHKGGUMUTUPD-MRXNPFEDSA-N 1 3 320.477 2.886 20 0 DFADHO COC(=O)[C@H](C)CN(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000509771670 300243398 /nfs/dbraw/zinc/24/33/98/300243398.db2.gz GZKHKGGUMUTUPD-MRXNPFEDSA-N 1 3 320.477 2.886 20 0 DFADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCC(=O)Nc1cccc2ccccc21 ZINC000514612104 300262719 /nfs/dbraw/zinc/26/27/19/300262719.db2.gz JTVWEUKZQYHQEW-ZBFHGGJFSA-N 1 3 311.429 2.980 20 0 DFADHO CC(C)[NH+](CCCNC(=O)[C@H](N)CC1CCCCC1)C(C)C ZINC000517028494 300378522 /nfs/dbraw/zinc/37/85/22/300378522.db2.gz FXZQSQYCRKGLQB-QGZVFWFLSA-N 1 3 311.514 2.909 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000517230093 300388418 /nfs/dbraw/zinc/38/84/18/300388418.db2.gz XVCHVLIWLGCKNP-YOEHRIQHSA-N 1 3 303.450 2.819 20 0 DFADHO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CCCNC1 ZINC000517553662 300399467 /nfs/dbraw/zinc/39/94/67/300399467.db2.gz FKQVDCPTYZVNGP-WBVHZDCISA-N 1 3 319.468 2.768 20 0 DFADHO CC(C)C[C@H](CNC(=O)CNC1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000519541812 300457177 /nfs/dbraw/zinc/45/71/77/300457177.db2.gz MRWNGSSVQWIZFI-MAUKXSAKSA-N 1 3 317.477 2.620 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCNC12CCC2 ZINC000530178397 301026150 /nfs/dbraw/zinc/02/61/50/301026150.db2.gz KZVMOWLRQXLXOS-QAPCUYQASA-N 1 3 318.461 2.899 20 0 DFADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530178396 301026159 /nfs/dbraw/zinc/02/61/59/301026159.db2.gz KZVMOWLRQXLXOS-MAUKXSAKSA-N 1 3 318.461 2.899 20 0 DFADHO C[C@H](c1ccc(F)cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238845 301033304 /nfs/dbraw/zinc/03/33/04/301033304.db2.gz DCICDTLOCHVGCN-RDTXWAMCSA-N 1 3 306.425 2.977 20 0 DFADHO CCc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000530248334 301033757 /nfs/dbraw/zinc/03/37/57/301033757.db2.gz JDMHAFGPUWHIED-HNNXBMFYSA-N 1 3 308.491 2.901 20 0 DFADHO CCOc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530249728 301034215 /nfs/dbraw/zinc/03/42/15/301034215.db2.gz YEZOSCCIBPXCGD-IBGZPJMESA-N 1 3 318.461 2.676 20 0 DFADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)N(CC)CC ZINC000531049001 301077300 /nfs/dbraw/zinc/07/73/00/301077300.db2.gz ZOPXYABYYDTCJE-KRWDZBQOSA-N 1 3 311.514 2.686 20 0 DFADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)N(CC)CC ZINC000531049001 301077302 /nfs/dbraw/zinc/07/73/02/301077302.db2.gz ZOPXYABYYDTCJE-KRWDZBQOSA-N 1 3 311.514 2.686 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000531785870 301110168 /nfs/dbraw/zinc/11/01/68/301110168.db2.gz XUZPFIBQKMDIGO-AEFFLSMTSA-N 1 3 301.478 2.964 20 0 DFADHO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000532221125 301137343 /nfs/dbraw/zinc/13/73/43/301137343.db2.gz RZAWPSLVNQPRAK-WMZOPIPTSA-N 1 3 317.477 2.646 20 0 DFADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532505385 301156563 /nfs/dbraw/zinc/15/65/63/301156563.db2.gz DFFGKRUMMWLPIW-ZIAGYGMSSA-N 1 3 301.434 2.564 20 0 DFADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532505385 301156565 /nfs/dbraw/zinc/15/65/65/301156565.db2.gz DFFGKRUMMWLPIW-ZIAGYGMSSA-N 1 3 301.434 2.564 20 0 DFADHO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000532967394 301179628 /nfs/dbraw/zinc/17/96/28/301179628.db2.gz AWNGWRDNBIRVAJ-YJBOKZPZSA-N 1 3 321.509 2.630 20 0 DFADHO CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000532967394 301179630 /nfs/dbraw/zinc/17/96/30/301179630.db2.gz AWNGWRDNBIRVAJ-YJBOKZPZSA-N 1 3 321.509 2.630 20 0 DFADHO C[N@H+](C[C@@H]1CCCOC1)[C@H]1CCCN(C[C@H]2CCCOC2)CC1 ZINC000533606413 301209898 /nfs/dbraw/zinc/20/98/98/301209898.db2.gz GTBOEDOMYNCUTA-OTWHNJEPSA-N 1 3 324.509 2.626 20 0 DFADHO C[N@@H+](C[C@@H]1CCCOC1)[C@H]1CCCN(C[C@H]2CCCOC2)CC1 ZINC000533606413 301209900 /nfs/dbraw/zinc/20/99/00/301209900.db2.gz GTBOEDOMYNCUTA-OTWHNJEPSA-N 1 3 324.509 2.626 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000534315752 301227488 /nfs/dbraw/zinc/22/74/88/301227488.db2.gz VEQNCOBPPAHTKY-HOTGVXAUSA-N 1 3 310.482 2.915 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000534315752 301227490 /nfs/dbraw/zinc/22/74/90/301227490.db2.gz VEQNCOBPPAHTKY-HOTGVXAUSA-N 1 3 310.482 2.915 20 0 DFADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)CCC[NH+](C)C ZINC000537215192 301296434 /nfs/dbraw/zinc/29/64/34/301296434.db2.gz SRGRKIRIAVWSAX-UHFFFAOYSA-N 1 3 317.433 2.518 20 0 DFADHO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCCCN2CCN(C)CC2)o1 ZINC000537237866 301296946 /nfs/dbraw/zinc/29/69/46/301296946.db2.gz UCSKTUFANRVGNI-RDJZCZTQSA-N 1 3 305.466 2.520 20 0 DFADHO CC[N@H+](CCC1CCN([C@@H]2CCCN(C)C2=O)CC1)CC(C)C ZINC000540911436 301374563 /nfs/dbraw/zinc/37/45/63/301374563.db2.gz HONAAAGNABIMEG-GOSISDBHSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@@H+](CCC1CCN([C@@H]2CCCN(C)C2=O)CC1)CC(C)C ZINC000540911436 301374566 /nfs/dbraw/zinc/37/45/66/301374566.db2.gz HONAAAGNABIMEG-GOSISDBHSA-N 1 3 323.525 2.687 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000563052309 302031422 /nfs/dbraw/zinc/03/14/22/302031422.db2.gz IYVXWVGFJVHYGE-GOSISDBHSA-N 1 3 317.477 2.502 20 0 DFADHO Cc1nn(-c2ccncc2)cc1C[NH2+][C@@H](C)CN1CCCCC1 ZINC000563440832 302073048 /nfs/dbraw/zinc/07/30/48/302073048.db2.gz NNQPRKWDYSYSOY-HNNXBMFYSA-N 1 3 313.449 2.540 20 0 DFADHO C[C@H](NCC1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000564779512 302157946 /nfs/dbraw/zinc/15/79/46/302157946.db2.gz UDIKSWGBIYPLCP-NSHDSACASA-N 1 3 312.255 2.837 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCc2cc(Br)ccc2F)C1 ZINC000565491111 302227640 /nfs/dbraw/zinc/22/76/40/302227640.db2.gz NESOZIMVATVTMO-STQMWFEESA-N 1 3 315.230 2.990 20 0 DFADHO CC(C)C[C@@H](CNC(=O)C(C)(C)N)[NH2+][C@@H](C)c1ccccc1 ZINC000565361410 302220861 /nfs/dbraw/zinc/22/08/61/302220861.db2.gz NIRBZSVEMCBXMH-HOCLYGCPSA-N 1 3 305.466 2.605 20 0 DFADHO CCN(C(=O)CCCC[NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000565890563 302247267 /nfs/dbraw/zinc/24/72/67/302247267.db2.gz UJYLNBGYVVPHAP-WMZOPIPTSA-N 1 3 317.477 2.799 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCc1cncn1C ZINC000566017422 302253831 /nfs/dbraw/zinc/25/38/31/302253831.db2.gz VVJDSJHGYQDOBJ-FUHWJXTLSA-N 1 3 306.498 2.843 20 0 DFADHO CN(C)Cc1ccc(NC(=O)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000566172038 302265302 /nfs/dbraw/zinc/26/53/02/302265302.db2.gz WJQDOANZQXHHHX-QGZVFWFLSA-N 1 3 311.429 2.647 20 0 DFADHO CCC(CC)(CNC(=O)[C@@H](C)NC)[NH2+][C@@H](C)c1ccccc1 ZINC000567248576 302345140 /nfs/dbraw/zinc/34/51/40/302345140.db2.gz HFNBZMZWFGEEJV-LSDHHAIUSA-N 1 3 305.466 2.620 20 0 DFADHO CCC[N@@H+]1CC[C@H](CNCCC(=O)Nc2cccc(Cl)c2)C1 ZINC000567378219 302355289 /nfs/dbraw/zinc/35/52/89/302355289.db2.gz TVIODIZEEYVWEX-CQSZACIVSA-N 1 3 323.868 2.990 20 0 DFADHO CCC[N@H+]1CC[C@H](CNCCC(=O)Nc2cccc(Cl)c2)C1 ZINC000567378219 302355292 /nfs/dbraw/zinc/35/52/92/302355292.db2.gz TVIODIZEEYVWEX-CQSZACIVSA-N 1 3 323.868 2.990 20 0 DFADHO CCCN1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000567378219 302355295 /nfs/dbraw/zinc/35/52/95/302355295.db2.gz TVIODIZEEYVWEX-CQSZACIVSA-N 1 3 323.868 2.990 20 0 DFADHO C[C@@H]([NH2+]CC1(N)CCCCCC1)c1ccccc1-n1ccnn1 ZINC000567638767 302375362 /nfs/dbraw/zinc/37/53/62/302375362.db2.gz AJXWEMJZYBXHCE-OAHLLOKOSA-N 1 3 313.449 2.970 20 0 DFADHO Cc1ncc2c(n1)CC[C@H](N[C@H](C)C[C@H]1CCCCC[NH2+]1)C2 ZINC000567641219 302375747 /nfs/dbraw/zinc/37/57/47/302375747.db2.gz OQILYIHYFRBRIX-XYPHTWIQSA-N 1 3 302.466 2.543 20 0 DFADHO C[NH2+]CCC1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000567872802 302395583 /nfs/dbraw/zinc/39/55/83/302395583.db2.gz HJVRPSFMTIYTRR-UHFFFAOYSA-N 1 3 310.445 2.965 20 0 DFADHO COc1ccccc1OCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000569566735 302525823 /nfs/dbraw/zinc/52/58/23/302525823.db2.gz YVZLCXSQIWGQCJ-OAGGEKHMSA-N 1 3 304.434 2.584 20 0 DFADHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CCCC[C@H]1O ZINC000570985057 302600501 /nfs/dbraw/zinc/60/05/01/302600501.db2.gz CLTILRVKPARROB-QZTJIDSGSA-N 1 3 320.477 2.800 20 0 DFADHO CC[C@@H]1Oc2cc([C@H](C)N[C@@H]3CCC[C@@H]([NH3+])C3)ccc2NC1=O ZINC000572378791 302659361 /nfs/dbraw/zinc/65/93/61/302659361.db2.gz RIYJUSCRWXOIDZ-DCDXPUDHSA-N 1 3 317.433 2.717 20 0 DFADHO C[C@H](N[C@H]1CCCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000573437026 302704527 /nfs/dbraw/zinc/70/45/27/302704527.db2.gz MCNMHMCBHQAVTA-XHSDSOJGSA-N 1 3 305.441 2.772 20 0 DFADHO COC[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C(C)C ZINC000165898114 315889072 /nfs/dbraw/zinc/88/90/72/315889072.db2.gz MTXVDNRCQGKNMS-MAUKXSAKSA-N 1 3 308.466 2.949 20 0 DFADHO COC[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C(C)C ZINC000165877698 315889429 /nfs/dbraw/zinc/88/94/29/315889429.db2.gz XCAGOESIPSABGJ-MAUKXSAKSA-N 1 3 308.466 2.949 20 0 DFADHO CC[C@@H]1CCC[C@@H](CN2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000182958145 316124132 /nfs/dbraw/zinc/12/41/32/316124132.db2.gz KGNVAFMDKOCPLG-RTBURBONSA-N 1 3 307.526 2.916 20 0 DFADHO CC[C@H]1CCC[C@H](C[NH+]2CCC(C(=O)NCCN(C)C)CC2)C1 ZINC000183021871 316126872 /nfs/dbraw/zinc/12/68/72/316126872.db2.gz XLDBMEDLNSYSQZ-IRXDYDNUSA-N 1 3 323.525 2.593 20 0 DFADHO CCOC(=O)CCCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185710005 316191351 /nfs/dbraw/zinc/19/13/51/316191351.db2.gz SMIHGHZGYSKGHJ-HOTGVXAUSA-N 1 3 310.482 2.962 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(CN(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000317302890 316248255 /nfs/dbraw/zinc/24/82/55/316248255.db2.gz XDPQJORJCXWDOM-GDBMZVCRSA-N 1 3 303.450 2.713 20 0 DFADHO CN1CC[C@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000349930578 316371102 /nfs/dbraw/zinc/37/11/02/316371102.db2.gz XKQPHYGCNDTIQL-INIZCTEOSA-N 1 3 312.417 2.752 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCC(C)CC1)C1(C(=O)OC)CCC1 ZINC000353532796 316535548 /nfs/dbraw/zinc/53/55/48/316535548.db2.gz CYTXYZBWZMLHAF-MRXNPFEDSA-N 1 3 310.482 2.820 20 0 DFADHO CC(C)(C)C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414555473 316627521 /nfs/dbraw/zinc/62/75/21/316627521.db2.gz MRHSLDOYFCXTSB-UHFFFAOYSA-N 1 3 317.477 2.520 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC000414781977 316653977 /nfs/dbraw/zinc/65/39/77/316653977.db2.gz WPJUIRWKTIAOSV-MOPGFXCFSA-N 1 3 300.446 2.892 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(OCC(F)(F)F)cc1 ZINC000414786020 316655238 /nfs/dbraw/zinc/65/52/38/316655238.db2.gz APWIMKWASHMULO-OCCSQVGLSA-N 1 3 302.340 2.845 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414800865 316662698 /nfs/dbraw/zinc/66/26/98/316662698.db2.gz LMWSVINIJDFEPM-YTQUADARSA-N 1 3 318.461 2.852 20 0 DFADHO Cc1cc(C)n2c(CNCc3ccc([C@@H](C)[NH3+])cc3)cnc2n1 ZINC000414802545 316663159 /nfs/dbraw/zinc/66/31/59/316663159.db2.gz BVUFYRVXXGVRHC-CQSZACIVSA-N 1 3 309.417 2.656 20 0 DFADHO CSc1cc2c(cc1CN[C@@H]1CCCC[C@@H]1C[NH3+])OCCO2 ZINC000414812579 316665788 /nfs/dbraw/zinc/66/57/88/316665788.db2.gz XLWXOJRLMBZCGX-TZMCWYRMSA-N 1 3 322.474 2.787 20 0 DFADHO CCc1ccccc1[C@H](N)CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423935827 316782644 /nfs/dbraw/zinc/78/26/44/316782644.db2.gz BLXRTXDKWSJMRU-SCLBCKFNSA-N 1 3 311.429 2.699 20 0 DFADHO CC(C)N1CCCC[C@H]1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000450500330 317099268 /nfs/dbraw/zinc/09/92/68/317099268.db2.gz MWTYQTHWCUUAAJ-WMZOPIPTSA-N 1 3 303.450 2.798 20 0 DFADHO CC(C)N1CCCC[C@H]1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000450500330 317099271 /nfs/dbraw/zinc/09/92/71/317099271.db2.gz MWTYQTHWCUUAAJ-WMZOPIPTSA-N 1 3 303.450 2.798 20 0 DFADHO CC(C)N1CCCC[C@@H]1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000450500328 317099725 /nfs/dbraw/zinc/09/97/25/317099725.db2.gz MWTYQTHWCUUAAJ-SJLPKXTDSA-N 1 3 303.450 2.798 20 0 DFADHO CC(C)N1CCCC[C@@H]1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000450500328 317099730 /nfs/dbraw/zinc/09/97/30/317099730.db2.gz MWTYQTHWCUUAAJ-SJLPKXTDSA-N 1 3 303.450 2.798 20 0 DFADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(-n2ccnn2)c1 ZINC000453351946 317178759 /nfs/dbraw/zinc/17/87/59/317178759.db2.gz MVONPOOWLHIBQV-LNRIEFBSSA-N 1 3 311.433 2.543 20 0 DFADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(-n2ccnn2)c1 ZINC000453351946 317178762 /nfs/dbraw/zinc/17/87/62/317178762.db2.gz MVONPOOWLHIBQV-LNRIEFBSSA-N 1 3 311.433 2.543 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459335401 317319909 /nfs/dbraw/zinc/31/99/09/317319909.db2.gz NXBLRCMGZJDDCR-AYBZRNKSSA-N 1 3 302.462 2.567 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488430224 317392700 /nfs/dbraw/zinc/39/27/00/317392700.db2.gz JXEVPBLZTNBIIV-IRXDYDNUSA-N 1 3 313.555 2.524 20 0 DFADHO CN1CCC(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)CC1 ZINC000488880731 317426045 /nfs/dbraw/zinc/42/60/45/317426045.db2.gz QYWPOWXTKPSHTM-UHFFFAOYSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240390 317777923 /nfs/dbraw/zinc/77/79/23/317777923.db2.gz LJBRNJPLNMWBPG-NEWSRXKRSA-N 1 3 324.509 2.672 20 0 DFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2scnc2C2CC2)CC1 ZINC000565468150 317921729 /nfs/dbraw/zinc/92/17/29/317921729.db2.gz AAPDFDXCVILIIQ-WMLDXEAASA-N 1 3 321.490 2.739 20 0 DFADHO CC[NH+]1CCC(CNC(=O)C[C@H](c2ccccc2)N(C)C)CC1 ZINC000568846474 317966174 /nfs/dbraw/zinc/96/61/74/317966174.db2.gz WMIQHYDUWLMXNB-GOSISDBHSA-N 1 3 317.477 2.528 20 0 DFADHO CC(C)C[C@@H](CNC(=O)C1(N)CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000572758518 318002587 /nfs/dbraw/zinc/00/25/87/318002587.db2.gz NEBHXNMVRYXVRU-RDJZCZTQSA-N 1 3 317.477 2.750 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](Nc2cccc(CN3CCSCC3)c2)C1 ZINC000573020614 318011686 /nfs/dbraw/zinc/01/16/86/318011686.db2.gz QFOFADKFNXEACE-DOTOQJQBSA-N 1 3 305.491 2.917 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H](N)C2)cc1OC ZINC000575761855 318081979 /nfs/dbraw/zinc/08/19/79/318081979.db2.gz FUMFHMWBJUZGFM-NUEKZKHPSA-N 1 3 306.450 2.742 20 0 DFADHO C[C@H](CC[NH+](C)C)NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000575917059 318091303 /nfs/dbraw/zinc/09/13/03/318091303.db2.gz HHZHFYHAUWJXQS-DOMZBBRYSA-N 1 3 318.383 2.539 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000576292760 318116992 /nfs/dbraw/zinc/11/69/92/318116992.db2.gz YPJJHTAHDYSGFW-QWHCGFSZSA-N 1 3 302.340 2.944 20 0 DFADHO C[NH+](C)CC1(CNC[C@@H](O)Cc2cccc(Cl)c2)CCCC1 ZINC000576578608 318135197 /nfs/dbraw/zinc/13/51/97/318135197.db2.gz IPBWEAHSVQPTKG-KRWDZBQOSA-N 1 3 324.896 2.955 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000576755725 318147629 /nfs/dbraw/zinc/14/76/29/318147629.db2.gz XALICAKJQNFQFX-UHFFFAOYSA-N 1 3 310.445 2.965 20 0 DFADHO C[C@@H](NCCc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000577161758 318174948 /nfs/dbraw/zinc/17/49/48/318174948.db2.gz QAAARFVOGVOQIQ-OCCSQVGLSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H]([NH2+]CCc1cccc(Br)c1)[C@H]1CCCNC1 ZINC000577161758 318174947 /nfs/dbraw/zinc/17/49/47/318174947.db2.gz QAAARFVOGVOQIQ-OCCSQVGLSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000577283494 318183268 /nfs/dbraw/zinc/18/32/68/318183268.db2.gz ZJXCVZGBYDEPMR-DOTOQJQBSA-N 1 3 323.525 2.863 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000577283494 318183269 /nfs/dbraw/zinc/18/32/69/318183269.db2.gz ZJXCVZGBYDEPMR-DOTOQJQBSA-N 1 3 323.525 2.863 20 0 DFADHO CCc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)s1 ZINC000577306317 318184203 /nfs/dbraw/zinc/18/42/03/318184203.db2.gz XMRYOHYQOFIHHC-UHFFFAOYSA-N 1 3 309.523 2.768 20 0 DFADHO C[N@H+](CCCNC[C@@H](O)Cc1ccccc1)Cc1ccccc1 ZINC000577500433 318197366 /nfs/dbraw/zinc/19/73/66/318197366.db2.gz JEOQXZHVCWXDER-FQEVSTJZSA-N 1 3 312.457 2.702 20 0 DFADHO C[N@@H+](CCCNC[C@@H](O)Cc1ccccc1)Cc1ccccc1 ZINC000577500433 318197369 /nfs/dbraw/zinc/19/73/69/318197369.db2.gz JEOQXZHVCWXDER-FQEVSTJZSA-N 1 3 312.457 2.702 20 0 DFADHO OC(CN1CC[C@@H]2CCCC[C@@H]21)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000577865114 318223302 /nfs/dbraw/zinc/22/33/02/318223302.db2.gz HRWOZJLIQDQTAT-CAMMJAKZSA-N 1 3 306.494 2.876 20 0 DFADHO OC(CN1CC[C@@H]2CCCC[C@@H]21)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000577865114 318223306 /nfs/dbraw/zinc/22/33/06/318223306.db2.gz HRWOZJLIQDQTAT-CAMMJAKZSA-N 1 3 306.494 2.876 20 0 DFADHO C[C@@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)C1=CCN(C)CC1 ZINC000577948576 318227658 /nfs/dbraw/zinc/22/76/58/318227658.db2.gz NZPFGQKFTWLOIM-IIBYNOLFSA-N 1 3 324.468 2.983 20 0 DFADHO CC1(C)[C@H](NCc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1O ZINC000577961382 318229493 /nfs/dbraw/zinc/22/94/93/318229493.db2.gz QQLVARKVAVVQAZ-MSOLQXFVSA-N 1 3 302.462 2.922 20 0 DFADHO CC(C)NC1(CO)CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000578518694 318266436 /nfs/dbraw/zinc/26/64/36/318266436.db2.gz DVHMTCFJOAOBLN-KRWDZBQOSA-N 1 3 316.489 2.616 20 0 DFADHO CCN1CCN(CCC[NH2+]Cc2ccc(C)cc2Cl)CC1 ZINC000579014830 318302579 /nfs/dbraw/zinc/30/25/79/318302579.db2.gz GDFULMIIMANVJA-UHFFFAOYSA-N 1 3 309.885 2.766 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000579258216 318318821 /nfs/dbraw/zinc/31/88/21/318318821.db2.gz GCLFOHVBAGTAAD-LNLFQRSKSA-N 1 3 319.493 2.936 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000384490363 323307138 /nfs/dbraw/zinc/30/71/38/323307138.db2.gz SVJHSAIYYWNUNX-WMLDXEAASA-N 1 3 303.450 2.855 20 0 DFADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000391723562 323345933 /nfs/dbraw/zinc/34/59/33/323345933.db2.gz FBJGETMAVPUDMR-HUUCEWRRSA-N 1 3 319.449 2.603 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCN(C)C1 ZINC000398200967 323356800 /nfs/dbraw/zinc/35/68/00/323356800.db2.gz PMVXEASPAIHDRF-RLLQIKCJSA-N 1 3 315.505 2.828 20 0 DFADHO Cc1ccc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000581005960 323463094 /nfs/dbraw/zinc/46/30/94/323463094.db2.gz JLEQIBUOBXHOTJ-PKOBYXMFSA-N 1 3 312.413 2.976 20 0 DFADHO C[NH2+]Cc1ccc(NC(=O)N[C@H](C)CN2CCC(C)CC2)cc1 ZINC000583036028 323784552 /nfs/dbraw/zinc/78/45/52/323784552.db2.gz VITGEQJSCKBIAS-OAHLLOKOSA-N 1 3 318.465 2.648 20 0 DFADHO C[C@H](N[C@H]1CCCN(c2cccc(F)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000583928701 323936559 /nfs/dbraw/zinc/93/65/59/323936559.db2.gz ZYHVCIMKPYRDKY-ZOBUZTSGSA-N 1 3 305.441 2.772 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378690 337232933 /nfs/dbraw/zinc/23/29/33/337232933.db2.gz UBKDAELLZZCJSH-RHSMWYFYSA-N 1 3 316.474 2.850 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378690 337232934 /nfs/dbraw/zinc/23/29/34/337232934.db2.gz UBKDAELLZZCJSH-RHSMWYFYSA-N 1 3 316.474 2.850 20 0 DFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378690 337232935 /nfs/dbraw/zinc/23/29/35/337232935.db2.gz UBKDAELLZZCJSH-RHSMWYFYSA-N 1 3 316.474 2.850 20 0 DFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378690 337232936 /nfs/dbraw/zinc/23/29/36/337232936.db2.gz UBKDAELLZZCJSH-RHSMWYFYSA-N 1 3 316.474 2.850 20 0 DFADHO c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)CNCC2 ZINC000584475161 337346238 /nfs/dbraw/zinc/34/62/38/337346238.db2.gz WELYHAHGEUPDJQ-PKOBYXMFSA-N 1 3 300.446 2.723 20 0 DFADHO c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)CNCC2 ZINC000584475161 337346239 /nfs/dbraw/zinc/34/62/39/337346239.db2.gz WELYHAHGEUPDJQ-PKOBYXMFSA-N 1 3 300.446 2.723 20 0 DFADHO c1cc(N2CCC([NH2+]CCC[C@H]3CCCCO3)CC2)ccn1 ZINC000297619766 534469545 /nfs/dbraw/zinc/46/95/45/534469545.db2.gz LGACWRQSOVZTQE-GOSISDBHSA-N 1 3 303.450 2.989 20 0 DFADHO CCCC[C@@H](N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000154563680 521064347 /nfs/dbraw/zinc/06/43/47/521064347.db2.gz YXVFSHFYSJLPQO-MAUKXSAKSA-N 1 3 317.477 2.846 20 0 DFADHO CCC[C@H](N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000364983616 521108172 /nfs/dbraw/zinc/10/81/72/521108172.db2.gz RRRLOWGTTIBLFE-ROUUACIJSA-N 1 3 317.477 2.627 20 0 DFADHO CCC[C@H](N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000364983616 521108182 /nfs/dbraw/zinc/10/81/82/521108182.db2.gz RRRLOWGTTIBLFE-ROUUACIJSA-N 1 3 317.477 2.627 20 0 DFADHO CCC[C@H]([NH3+])C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000366330348 521114992 /nfs/dbraw/zinc/11/49/92/521114992.db2.gz QTKUIVYYRNREFN-VNQPRFMTSA-N 1 3 323.868 2.576 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000154334251 521682362 /nfs/dbraw/zinc/68/23/62/521682362.db2.gz MVXIYDCZQWMUOT-BEFAXECRSA-N 1 3 319.468 2.676 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000163269228 521717758 /nfs/dbraw/zinc/71/77/58/521717758.db2.gz SNZDXKJLJICYNC-JKSUJKDBSA-N 1 3 315.461 2.806 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000366329616 522301252 /nfs/dbraw/zinc/30/12/52/522301252.db2.gz YUSVJDCWICSSHU-XPJGSDBHSA-N 1 3 323.525 2.861 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(CN(C)C)c1 ZINC000156435741 523175661 /nfs/dbraw/zinc/17/56/61/523175661.db2.gz LVOPQHFTZUGAEH-GOSISDBHSA-N 1 3 317.477 2.743 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(CN(C)C)c1 ZINC000156435741 523175670 /nfs/dbraw/zinc/17/56/70/523175670.db2.gz LVOPQHFTZUGAEH-GOSISDBHSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000128344136 525540047 /nfs/dbraw/zinc/54/00/47/525540047.db2.gz ZADWXJSPWVYYHW-APWZRJJASA-N 1 3 301.478 2.537 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)N(C)C)cc1 ZINC000299609912 528002852 /nfs/dbraw/zinc/00/28/52/528002852.db2.gz OEQURTMKVJSMOZ-HNNXBMFYSA-N 1 3 305.466 2.598 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)N(C)C)cc1 ZINC000299609912 528002856 /nfs/dbraw/zinc/00/28/56/528002856.db2.gz OEQURTMKVJSMOZ-HNNXBMFYSA-N 1 3 305.466 2.598 20 0 DFADHO CC(C)CNC(=[NH2+])NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309764494 528030368 /nfs/dbraw/zinc/03/03/68/528030368.db2.gz YZFYKPXPLLDCMD-QGZVFWFLSA-N 1 3 302.466 2.669 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000319630230 528459066 /nfs/dbraw/zinc/45/90/66/528459066.db2.gz MEWZAVYZYKXDHB-KRWDZBQOSA-N 1 3 309.498 2.665 20 0 DFADHO CCCN[C@@H](C)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000296000829 528545550 /nfs/dbraw/zinc/54/55/50/528545550.db2.gz KVZHXVMZJCKILU-AWEZNQCLSA-N 1 3 316.449 2.530 20 0 DFADHO CCN(CC)C(=[NH2+])NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000361802126 535391717 /nfs/dbraw/zinc/39/17/17/535391717.db2.gz AAKYJVHAXGIXGV-QGZVFWFLSA-N 1 3 302.466 2.765 20 0 DFADHO CC[NH+](CC)CCCCNC(=O)c1ccccc1CN(C)C ZINC000362761966 535501298 /nfs/dbraw/zinc/50/12/98/535501298.db2.gz DHPOFAJLCUXYGY-UHFFFAOYSA-N 1 3 305.466 2.600 20 0 DFADHO CCc1cccc(F)c1CNCCCC[N@@H+]1CCC[C@H]1CO ZINC000354351103 535890995 /nfs/dbraw/zinc/89/09/95/535890995.db2.gz JOYLWKFMZIYTEJ-INIZCTEOSA-N 1 3 308.441 2.715 20 0 DFADHO CCc1cccc(F)c1CNCCCC[N@H+]1CCC[C@H]1CO ZINC000354351103 535890999 /nfs/dbraw/zinc/89/09/99/535890999.db2.gz JOYLWKFMZIYTEJ-INIZCTEOSA-N 1 3 308.441 2.715 20 0 DFADHO CN(C)CCOc1cccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000261668948 535913857 /nfs/dbraw/zinc/91/38/57/535913857.db2.gz HAPOHUNFOXXFFV-CEXWTWQISA-N 1 3 317.477 2.960 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000358012207 535936441 /nfs/dbraw/zinc/93/64/41/535936441.db2.gz HDARLASBVKAQJM-VNQPRFMTSA-N 1 3 304.434 2.839 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000358012207 535936445 /nfs/dbraw/zinc/93/64/45/535936445.db2.gz HDARLASBVKAQJM-VNQPRFMTSA-N 1 3 304.434 2.839 20 0 DFADHO CN(C)Cc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000358248625 536010847 /nfs/dbraw/zinc/01/08/47/536010847.db2.gz MFCQEIDEISMXCV-SJORKVTESA-N 1 3 305.441 2.604 20 0 DFADHO CN(C)Cc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000358248625 536010851 /nfs/dbraw/zinc/01/08/51/536010851.db2.gz MFCQEIDEISMXCV-SJORKVTESA-N 1 3 305.441 2.604 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1 ZINC000681700588 545702490 /nfs/dbraw/zinc/70/24/90/545702490.db2.gz ZNQUEZMHPOREEA-KRWDZBQOSA-N 1 3 306.450 2.674 20 0 DFADHO c1c(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)[nH]c2ccccc12 ZINC000683930206 546122516 /nfs/dbraw/zinc/12/25/16/546122516.db2.gz WGRCRFVMNIREAP-OAHLLOKOSA-N 1 3 313.445 2.758 20 0 DFADHO C[NH+](C)CCOC1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000684022975 546136998 /nfs/dbraw/zinc/13/69/98/546136998.db2.gz RCFCCJZRNPTCIH-UHFFFAOYSA-N 1 3 301.434 2.711 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000684112692 546153538 /nfs/dbraw/zinc/15/35/38/546153538.db2.gz XQIYPHKOZVVPLW-LTIDMASMSA-N 1 3 302.466 2.663 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000684112692 546153541 /nfs/dbraw/zinc/15/35/41/546153541.db2.gz XQIYPHKOZVVPLW-LTIDMASMSA-N 1 3 302.466 2.663 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000684112692 546153542 /nfs/dbraw/zinc/15/35/42/546153542.db2.gz XQIYPHKOZVVPLW-LTIDMASMSA-N 1 3 302.466 2.663 20 0 DFADHO CO[C@]1(C)CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000684410908 546211937 /nfs/dbraw/zinc/21/19/37/546211937.db2.gz COWGWNVFORFLGA-GOSISDBHSA-N 1 3 306.450 2.628 20 0 DFADHO CCC[N@H+](CCCN(C)C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000685462678 546355232 /nfs/dbraw/zinc/35/52/32/546355232.db2.gz BJLHEJIHXLJOOD-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CCC[N@@H+](CCCN(C)C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000685462678 546355237 /nfs/dbraw/zinc/35/52/37/546355237.db2.gz BJLHEJIHXLJOOD-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO Cc1cccc2c1OC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@@H]31)C2 ZINC000685665600 546383482 /nfs/dbraw/zinc/38/34/82/546383482.db2.gz KPVKLLOGBQBCRI-BRSBDYLESA-N 1 3 300.446 2.761 20 0 DFADHO Cc1cccc2c1OC[C@H](N[C@@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)C2 ZINC000685665600 546383483 /nfs/dbraw/zinc/38/34/83/546383483.db2.gz KPVKLLOGBQBCRI-BRSBDYLESA-N 1 3 300.446 2.761 20 0 DFADHO Cc1cccc2c1OC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@H]31)C2 ZINC000685665603 546383514 /nfs/dbraw/zinc/38/35/14/546383514.db2.gz KPVKLLOGBQBCRI-XMTFNYHQSA-N 1 3 300.446 2.761 20 0 DFADHO Cc1cccc2c1OC[C@H](N[C@@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)C2 ZINC000685665603 546383516 /nfs/dbraw/zinc/38/35/16/546383516.db2.gz KPVKLLOGBQBCRI-XMTFNYHQSA-N 1 3 300.446 2.761 20 0 DFADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc([S@@](C)=O)cc1 ZINC000272876894 210267467 /nfs/dbraw/zinc/26/74/67/210267467.db2.gz BRXWGNXDWLUJKA-CMPZQBNXSA-N 1 3 308.491 2.949 20 0 DFADHO COc1cccc(CNCC2CC[NH+](C3CC3)CC2)c1OC ZINC000278501792 214194772 /nfs/dbraw/zinc/19/47/72/214194772.db2.gz OBECXQNOIUYDEA-UHFFFAOYSA-N 1 3 304.434 2.668 20 0 DFADHO COc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278626210 214284504 /nfs/dbraw/zinc/28/45/04/214284504.db2.gz RRYVIAYAOJREAW-HOTGVXAUSA-N 1 3 306.450 2.847 20 0 DFADHO COc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278626210 214284506 /nfs/dbraw/zinc/28/45/06/214284506.db2.gz RRYVIAYAOJREAW-HOTGVXAUSA-N 1 3 306.450 2.847 20 0 DFADHO c1ccc2c(c1)C[C@@H](C[NH2+]C1CCN(c3ccncc3)CC1)O2 ZINC000322053710 231208883 /nfs/dbraw/zinc/20/88/83/231208883.db2.gz BFVKXHRDVFFARH-SFHVURJKSA-N 1 3 309.413 2.644 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCc2cn[nH]c2)CC1 ZINC000459355387 299086894 /nfs/dbraw/zinc/08/68/94/299086894.db2.gz BXDBCAQTQBOPRR-MRXNPFEDSA-N 1 3 304.482 2.929 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCc2cn[nH]c2)CC1 ZINC000459355387 299086898 /nfs/dbraw/zinc/08/68/98/299086898.db2.gz BXDBCAQTQBOPRR-MRXNPFEDSA-N 1 3 304.482 2.929 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN(C)C)[C@H]1Sc1ccccc1 ZINC000459361174 299088985 /nfs/dbraw/zinc/08/89/85/299088985.db2.gz FZRMHHWMKQUFFG-GVDBMIGSSA-N 1 3 308.491 2.866 20 0 DFADHO Cc1cccn2c(CN3CCC(CC[NH+](C)C)CC3)cnc12 ZINC000092381201 185315006 /nfs/dbraw/zinc/31/50/06/185315006.db2.gz IXASETPNPRHQRS-UHFFFAOYSA-N 1 3 300.450 2.806 20 0 DFADHO C[C@H](Cc1cccc(O)c1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459415568 299100892 /nfs/dbraw/zinc/10/08/92/299100892.db2.gz WOBCBZYCVLIFCU-OAHLLOKOSA-N 1 3 311.429 2.977 20 0 DFADHO COC(=O)c1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)oc1C ZINC000592433600 398425117 /nfs/dbraw/zinc/42/51/17/398425117.db2.gz LIQAUTJDVSTCGJ-LSDHHAIUSA-N 1 3 320.433 2.586 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@H]1SC ZINC000459434210 299105445 /nfs/dbraw/zinc/10/54/45/299105445.db2.gz HJIGLBNMBVUZQM-BRWVUGGUSA-N 1 3 312.523 2.892 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](CC(C)C)C2)[C@@H]1SC ZINC000459453757 299110765 /nfs/dbraw/zinc/11/07/65/299110765.db2.gz SZUNEJAOPDICQT-TWMKSMIVSA-N 1 3 314.539 2.853 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](CC(C)C)C2)[C@@H]1SC ZINC000459453757 299110767 /nfs/dbraw/zinc/11/07/67/299110767.db2.gz SZUNEJAOPDICQT-TWMKSMIVSA-N 1 3 314.539 2.853 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(CC(C)C)C2)[C@@H]1SC ZINC000459453757 299110771 /nfs/dbraw/zinc/11/07/71/299110771.db2.gz SZUNEJAOPDICQT-TWMKSMIVSA-N 1 3 314.539 2.853 20 0 DFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459455702 299110892 /nfs/dbraw/zinc/11/08/92/299110892.db2.gz DEGIYJJULJTGML-RLLQIKCJSA-N 1 3 313.489 2.820 20 0 DFADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)Nc3cccc(F)c3)C2)C1 ZINC000293036715 530065291 /nfs/dbraw/zinc/06/52/91/530065291.db2.gz RYFSKVWGZHELSX-SFHVURJKSA-N 1 3 319.424 2.572 20 0 DFADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)Nc3cccc(F)c3)C2)C1 ZINC000293036715 530065292 /nfs/dbraw/zinc/06/52/92/530065292.db2.gz RYFSKVWGZHELSX-SFHVURJKSA-N 1 3 319.424 2.572 20 0 DFADHO Cc1ccc([C@H](C[NH2+]C2CCN(C3CC3)CC2)N2CCCC2)o1 ZINC000459458041 299111658 /nfs/dbraw/zinc/11/16/58/299111658.db2.gz FCHUYHBMJQIEBK-SFHVURJKSA-N 1 3 317.477 2.941 20 0 DFADHO COc1cccc(OCCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090060391 398476997 /nfs/dbraw/zinc/47/69/97/398476997.db2.gz AGINILBBJFPZSS-HZPDHXFCSA-N 1 3 304.434 2.681 20 0 DFADHO COc1cccc(OCCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090060391 398476998 /nfs/dbraw/zinc/47/69/98/398476998.db2.gz AGINILBBJFPZSS-HZPDHXFCSA-N 1 3 304.434 2.681 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000272681716 210086251 /nfs/dbraw/zinc/08/62/51/210086251.db2.gz NDUJZMLWGAPHQJ-WCIQWLHISA-N 1 3 314.473 2.913 20 0 DFADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)[C@H]1OCCc2sccc21 ZINC000459556729 299133125 /nfs/dbraw/zinc/13/31/25/299133125.db2.gz KGJOYWLHSXBUNM-SJKOYZFVSA-N 1 3 306.475 2.967 20 0 DFADHO C[C@H](NC1CC[NH+](C2CC2)CC1)[C@@H]1OCCc2sccc21 ZINC000459556728 299133465 /nfs/dbraw/zinc/13/34/65/299133465.db2.gz KGJOYWLHSXBUNM-SJCJKPOMSA-N 1 3 306.475 2.967 20 0 DFADHO O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000459585276 299141623 /nfs/dbraw/zinc/14/16/23/299141623.db2.gz JVWBDDBYYAZUDJ-CENDIDJXSA-N 1 3 314.473 2.790 20 0 DFADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272620912 210020479 /nfs/dbraw/zinc/02/04/79/210020479.db2.gz YGCPONLMJIQDKU-XFUTXVRSSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272620912 210020482 /nfs/dbraw/zinc/02/04/82/210020482.db2.gz YGCPONLMJIQDKU-XFUTXVRSSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000272620912 210020477 /nfs/dbraw/zinc/02/04/77/210020477.db2.gz YGCPONLMJIQDKU-XFUTXVRSSA-N 1 3 300.446 2.664 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000320316113 398547861 /nfs/dbraw/zinc/54/78/61/398547861.db2.gz DCAUKGJMYYCUNL-FUHWJXTLSA-N 1 3 317.477 2.575 20 0 DFADHO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000414218027 295778652 /nfs/dbraw/zinc/77/86/52/295778652.db2.gz ZEUWEIBAJJPJPI-QGTPRVQTSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000272581191 210001307 /nfs/dbraw/zinc/00/13/07/210001307.db2.gz QOXDGPQYVLYHDI-BTHPGYMESA-N 1 3 315.505 2.827 20 0 DFADHO CN1CCC[C@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)CC[C@@H]21 ZINC000092043091 398554643 /nfs/dbraw/zinc/55/46/43/398554643.db2.gz RTLNTEFTTGSABZ-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)CC[C@@H]21 ZINC000092043091 398554645 /nfs/dbraw/zinc/55/46/45/398554645.db2.gz RTLNTEFTTGSABZ-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO COC(=O)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1F ZINC000323703449 398560311 /nfs/dbraw/zinc/56/03/11/398560311.db2.gz LGJWESWIKPOQPS-GOOCMWNKSA-N 1 3 320.408 2.717 20 0 DFADHO C[NH+](C)CCOc1ccc(CNCc2ccc(O)cc2)cc1 ZINC000069711348 398581194 /nfs/dbraw/zinc/58/11/94/398581194.db2.gz GNHAYDJRDMJDFC-UHFFFAOYSA-N 1 3 300.402 2.622 20 0 DFADHO COCCOc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152408166 186069312 /nfs/dbraw/zinc/06/93/12/186069312.db2.gz DSQWRCJCJANGPJ-HZPDHXFCSA-N 1 3 318.461 2.847 20 0 DFADHO COCCOc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152408166 186069313 /nfs/dbraw/zinc/06/93/13/186069313.db2.gz DSQWRCJCJANGPJ-HZPDHXFCSA-N 1 3 318.461 2.847 20 0 DFADHO COc1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)c(OC)c1OC ZINC000459724442 299172910 /nfs/dbraw/zinc/17/29/10/299172910.db2.gz DQXUEWMVTUDZSA-AWEZNQCLSA-N 1 3 322.449 2.534 20 0 DFADHO COc1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)c(OC)c1OC ZINC000459724442 299172913 /nfs/dbraw/zinc/17/29/13/299172913.db2.gz DQXUEWMVTUDZSA-AWEZNQCLSA-N 1 3 322.449 2.534 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000268739289 186373670 /nfs/dbraw/zinc/37/36/70/186373670.db2.gz CQVKKUVMAMTAAL-LPHOPBHVSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000268739289 186373672 /nfs/dbraw/zinc/37/36/72/186373672.db2.gz CQVKKUVMAMTAAL-LPHOPBHVSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000268739289 186373674 /nfs/dbraw/zinc/37/36/74/186373674.db2.gz CQVKKUVMAMTAAL-LPHOPBHVSA-N 1 3 312.461 2.751 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414822247 295822201 /nfs/dbraw/zinc/82/22/01/295822201.db2.gz CLSIAWOZGLWIOJ-YGOACVGDSA-N 1 3 321.852 2.930 20 0 DFADHO C[C@@H](CCc1ccc2c(c1)OCO2)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414823521 295822349 /nfs/dbraw/zinc/82/23/49/295822349.db2.gz DSRGCQSNNDUXHI-NTQSIJHJSA-N 1 3 302.418 2.609 20 0 DFADHO COCCOc1ccccc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459740534 299178733 /nfs/dbraw/zinc/17/87/33/299178733.db2.gz UONQOMGWXXBPQA-MRXNPFEDSA-N 1 3 306.450 2.533 20 0 DFADHO COCCOc1ccccc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459740534 299178736 /nfs/dbraw/zinc/17/87/36/299178736.db2.gz UONQOMGWXXBPQA-MRXNPFEDSA-N 1 3 306.450 2.533 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414858645 295827248 /nfs/dbraw/zinc/82/72/48/295827248.db2.gz SEXRJYKQYJTUPG-JYJNAYRXSA-N 1 3 303.450 2.690 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2cnc([C@H]3CCCO3)s2)C1 ZINC000459744036 299179713 /nfs/dbraw/zinc/17/97/13/299179713.db2.gz XPFQQAPOKPFJJC-DZGCQCFKSA-N 1 3 309.479 2.816 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2cnc([C@H]3CCCO3)s2)C1 ZINC000459744036 299179715 /nfs/dbraw/zinc/17/97/15/299179715.db2.gz XPFQQAPOKPFJJC-DZGCQCFKSA-N 1 3 309.479 2.816 20 0 DFADHO [NH3+]CCCCNCc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000414898168 295831990 /nfs/dbraw/zinc/83/19/90/295831990.db2.gz DFDBKDVKEJORIZ-OAHLLOKOSA-N 1 3 312.841 2.726 20 0 DFADHO CCOc1c(CNCC2(C)CC[NH2+]CC2)c(C)nn1CC(C)C ZINC000414903318 295832773 /nfs/dbraw/zinc/83/27/73/295832773.db2.gz LRULYHPSELGPGR-UHFFFAOYSA-N 1 3 322.497 2.726 20 0 DFADHO C(CC1CCN(CCOC[C@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000122081468 282824200 /nfs/dbraw/zinc/82/42/00/282824200.db2.gz KXMOQBBLKQFQBP-LJQANCHMSA-N 1 3 324.509 2.770 20 0 DFADHO Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415005201 295846533 /nfs/dbraw/zinc/84/65/33/295846533.db2.gz IVLQPEUYIQEFEF-AZUAARDMSA-N 1 3 324.472 2.967 20 0 DFADHO C[C@@H](CCCC[NH3+])NCc1cc2c(cc1OC(F)F)OCO2 ZINC000415006796 295846613 /nfs/dbraw/zinc/84/66/13/295846613.db2.gz AJTZGGRTKHOXSK-JTQLQIEISA-N 1 3 316.348 2.624 20 0 DFADHO [NH3+]C[C@H]1CC[C@H](CNCc2ncc(Br)s2)CC1 ZINC000415018861 295847558 /nfs/dbraw/zinc/84/75/58/295847558.db2.gz CXRHNUXOFPGVGY-MGCOHNPYSA-N 1 3 318.284 2.760 20 0 DFADHO [NH3+]C[C@H]1CC[C@H](NCc2cc(Br)ccc2F)C1 ZINC000415029135 295848486 /nfs/dbraw/zinc/84/84/86/295848486.db2.gz DIPFABGEGAUDMH-CABZTGNLSA-N 1 3 301.203 2.805 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000182053195 199380532 /nfs/dbraw/zinc/38/05/32/199380532.db2.gz RSGSDLDTKZOUOV-LJQANCHMSA-N 1 3 317.521 2.873 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCn1cnc2ccccc21 ZINC000415074542 295854837 /nfs/dbraw/zinc/85/48/37/295854837.db2.gz AOCNSZWLFBGBCE-HOTGVXAUSA-N 1 3 300.450 2.937 20 0 DFADHO CC[NH+](CC)CCCCNC(=O)c1cccc(CN(C)C)c1 ZINC000073640212 398692525 /nfs/dbraw/zinc/69/25/25/398692525.db2.gz WVHGFYBALUXDMK-UHFFFAOYSA-N 1 3 305.466 2.600 20 0 DFADHO COc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1C ZINC000415123557 295861086 /nfs/dbraw/zinc/86/10/86/295861086.db2.gz LFBPKFKRTDZZLM-PKOBYXMFSA-N 1 3 318.461 2.722 20 0 DFADHO Cc1cc(F)ccc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415136546 295863411 /nfs/dbraw/zinc/86/34/11/295863411.db2.gz XFTUFBMDNGWDDQ-ROUUACIJSA-N 1 3 306.425 2.852 20 0 DFADHO CCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236789497 202009975 /nfs/dbraw/zinc/00/99/75/202009975.db2.gz YLYLABWWYKGKJT-JQHSSLGASA-N 1 3 317.477 2.625 20 0 DFADHO CCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236789497 202009977 /nfs/dbraw/zinc/00/99/77/202009977.db2.gz YLYLABWWYKGKJT-JQHSSLGASA-N 1 3 317.477 2.625 20 0 DFADHO CC(C)[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000236795688 202014256 /nfs/dbraw/zinc/01/42/56/202014256.db2.gz CAINUYZNYVHDNX-YOEHRIQHSA-N 1 3 303.450 2.983 20 0 DFADHO CC(C)[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236795688 202014258 /nfs/dbraw/zinc/01/42/58/202014258.db2.gz CAINUYZNYVHDNX-YOEHRIQHSA-N 1 3 303.450 2.983 20 0 DFADHO C[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)N1CCCCCC1 ZINC000074220602 398732410 /nfs/dbraw/zinc/73/24/10/398732410.db2.gz QEJAFBSQOIMSEF-GOSISDBHSA-N 1 3 323.525 2.879 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)[C@H]2CCC[C@H]21 ZINC000353640727 283139151 /nfs/dbraw/zinc/13/91/51/283139151.db2.gz HNMKIXIMOPIHJM-OBKDMQGPSA-N 1 3 314.473 2.615 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)[C@H]2CCC[C@H]21 ZINC000353640727 283139152 /nfs/dbraw/zinc/13/91/52/283139152.db2.gz HNMKIXIMOPIHJM-OBKDMQGPSA-N 1 3 314.473 2.615 20 0 DFADHO CCc1ccc([C@@H](CNC(=O)C(CC)(CC)C[NH3+])N(C)C)cc1 ZINC000236991055 202111972 /nfs/dbraw/zinc/11/19/72/202111972.db2.gz JVAOTDWFGSDKCH-QGZVFWFLSA-N 1 3 319.493 2.733 20 0 DFADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000237043787 202133035 /nfs/dbraw/zinc/13/30/35/202133035.db2.gz RLTALRHSJVRQFD-QEJZJMRPSA-N 1 3 311.495 2.621 20 0 DFADHO CN1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C2(CCCCC2)C1 ZINC000237192786 202182760 /nfs/dbraw/zinc/18/27/60/202182760.db2.gz XSIBCRCDYSORFI-QGZVFWFLSA-N 1 3 315.461 2.553 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000178410770 198862513 /nfs/dbraw/zinc/86/25/13/198862513.db2.gz YZHUGKKNUDCABR-BTYIYWSLSA-N 1 3 308.491 2.951 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151322695 283281479 /nfs/dbraw/zinc/28/14/79/283281479.db2.gz SWAPUSNEEBBGRG-VQIMIIECSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151322695 283281482 /nfs/dbraw/zinc/28/14/82/283281482.db2.gz SWAPUSNEEBBGRG-VQIMIIECSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@H+]1CC[C@@H](NCc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151322695 283281484 /nfs/dbraw/zinc/28/14/84/283281484.db2.gz SWAPUSNEEBBGRG-VQIMIIECSA-N 1 3 312.461 2.751 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594493389 398808760 /nfs/dbraw/zinc/80/87/60/398808760.db2.gz HLUNJUORJDLXLX-KSSFIOAISA-N 1 3 316.445 2.782 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000594494467 398808776 /nfs/dbraw/zinc/80/87/76/398808776.db2.gz GOAUKYYGCARXBA-KBXCAEBGSA-N 1 3 316.445 2.782 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000594494467 398808778 /nfs/dbraw/zinc/80/87/78/398808778.db2.gz GOAUKYYGCARXBA-KBXCAEBGSA-N 1 3 316.445 2.782 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000151662447 283291605 /nfs/dbraw/zinc/29/16/05/283291605.db2.gz PPTSKYDESGRKPV-SQNIBIBYSA-N 1 3 323.525 2.686 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000151662447 283291607 /nfs/dbraw/zinc/29/16/07/283291607.db2.gz PPTSKYDESGRKPV-SQNIBIBYSA-N 1 3 323.525 2.686 20 0 DFADHO COC(=O)c1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000594606608 398830304 /nfs/dbraw/zinc/83/03/04/398830304.db2.gz JNIHSJNJDBWGJO-OAHLLOKOSA-N 1 3 320.433 2.538 20 0 DFADHO C[C@@H]([NH2+]CCOCC(F)F)c1ccc(OCCN(C)C)cc1 ZINC000276646462 213021307 /nfs/dbraw/zinc/02/13/07/213021307.db2.gz LRWFMYMIWZSKFY-CYBMUJFWSA-N 1 3 316.392 2.559 20 0 DFADHO C[C@@H](NCCOCC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000276646462 213021309 /nfs/dbraw/zinc/02/13/09/213021309.db2.gz LRWFMYMIWZSKFY-CYBMUJFWSA-N 1 3 316.392 2.559 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc(OCCN(C)C)c1 ZINC000186788847 200011367 /nfs/dbraw/zinc/01/13/67/200011367.db2.gz PAXTXTXBISOWJQ-BMGDILEWSA-N 1 3 306.450 2.581 20 0 DFADHO CC(C)[C@H](Cc1ccccc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000187168204 200070782 /nfs/dbraw/zinc/07/07/82/200070782.db2.gz ILBLSQMJDZXEKT-FQEVSTJZSA-N 1 3 317.521 2.871 20 0 DFADHO COC(=O)CC1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000599054387 398914007 /nfs/dbraw/zinc/91/40/07/398914007.db2.gz KKCVMRZJQCAJIH-IIIMJFFVSA-N 1 3 322.493 2.820 20 0 DFADHO CO[C@H](C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000188109777 200195218 /nfs/dbraw/zinc/19/52/18/200195218.db2.gz NMUYFVYVFBWATI-XGXHKWSGSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@@H](CSc1ccc(Cl)cc1)NC[C@H](O)C[NH+](C)C ZINC000154372589 522615052 /nfs/dbraw/zinc/61/50/52/522615052.db2.gz WNHCRCQKCABGMI-KBPBESRZSA-N 1 3 316.898 2.723 20 0 DFADHO NCc1cc(NC(=O)[C@H]2CCCCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000365963241 283527355 /nfs/dbraw/zinc/52/73/55/283527355.db2.gz OGWHHBIYQLBAMW-CYBMUJFWSA-N 1 3 315.339 2.635 20 0 DFADHO C[C@H]([NH2+]CC1(N(C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000417356344 296013347 /nfs/dbraw/zinc/01/33/47/296013347.db2.gz PFVPUVGQLAZYEE-WMZOPIPTSA-N 1 3 301.478 2.581 20 0 DFADHO C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000417392169 296016247 /nfs/dbraw/zinc/01/62/47/296016247.db2.gz AZADCZJJKDAKDO-WAPOTWQKSA-N 1 3 314.473 2.790 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417392169 296016248 /nfs/dbraw/zinc/01/62/48/296016248.db2.gz AZADCZJJKDAKDO-WAPOTWQKSA-N 1 3 314.473 2.790 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417392169 296016249 /nfs/dbraw/zinc/01/62/49/296016249.db2.gz AZADCZJJKDAKDO-WAPOTWQKSA-N 1 3 314.473 2.790 20 0 DFADHO CCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000078420914 398955291 /nfs/dbraw/zinc/95/52/91/398955291.db2.gz NVUJLODUABRIDG-LJQANCHMSA-N 1 3 301.478 2.725 20 0 DFADHO CCC[NH+]1CCC(N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000078420914 398955296 /nfs/dbraw/zinc/95/52/96/398955296.db2.gz NVUJLODUABRIDG-LJQANCHMSA-N 1 3 301.478 2.725 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000281350057 216239481 /nfs/dbraw/zinc/23/94/81/216239481.db2.gz NCCLYBJGLBCESG-UHFFFAOYSA-N 1 3 318.465 2.698 20 0 DFADHO C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000192100608 200819354 /nfs/dbraw/zinc/81/93/54/200819354.db2.gz DIRNCPWXEYFZOT-LZLYRXPVSA-N 1 3 317.477 2.559 20 0 DFADHO C[N@H+]1CC=C(CNCc2ccccc2OC(F)(F)F)CC1 ZINC000271896860 209304814 /nfs/dbraw/zinc/30/48/14/209304814.db2.gz PLYSREJBUNWJQN-UHFFFAOYSA-N 1 3 300.324 2.937 20 0 DFADHO C[N@@H+]1CC=C(CNCc2ccccc2OC(F)(F)F)CC1 ZINC000271896860 209304818 /nfs/dbraw/zinc/30/48/18/209304818.db2.gz PLYSREJBUNWJQN-UHFFFAOYSA-N 1 3 300.324 2.937 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)N[C@@H](C)CCC[NH3+])c1ccccc1 ZINC000417621240 296036319 /nfs/dbraw/zinc/03/63/19/296036319.db2.gz HBKKEPQTQSIEAF-LSDHHAIUSA-N 1 3 320.481 2.542 20 0 DFADHO COC(=O)[C@](C)(CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600150593 398973316 /nfs/dbraw/zinc/97/33/16/398973316.db2.gz FDHDPVPMYQHFLL-VQIMIIECSA-N 1 3 318.461 2.580 20 0 DFADHO COC(=O)[C@](C)(CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600150593 398973320 /nfs/dbraw/zinc/97/33/20/398973320.db2.gz FDHDPVPMYQHFLL-VQIMIIECSA-N 1 3 318.461 2.580 20 0 DFADHO CC(C)CCn1cccc1C[NH2+]CCCCN1CCN(C)CC1 ZINC000161638859 398977063 /nfs/dbraw/zinc/97/70/63/398977063.db2.gz PUDZOPKONVKBCT-UHFFFAOYSA-N 1 3 320.525 2.651 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000271865930 209278458 /nfs/dbraw/zinc/27/84/58/209278458.db2.gz LLEQZWALNBWPFF-FXAWDEMLSA-N 1 3 313.489 2.749 20 0 DFADHO CCN1CCN(CCC[NH2+]CC[C@H](C)c2ccccc2)CC1 ZINC000194551507 201249804 /nfs/dbraw/zinc/24/98/04/201249804.db2.gz LWBPHEZYBUGXII-SFHVURJKSA-N 1 3 303.494 2.797 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]CC2(O)CCCCCC2)cc1 ZINC000605165109 399005580 /nfs/dbraw/zinc/00/55/80/399005580.db2.gz JTBMNHZOTMLLID-UHFFFAOYSA-N 1 3 320.477 2.802 20 0 DFADHO C[C@H](CC(=O)N1CCCCCC1)NCC(C)(C)C[NH+]1CCCC1 ZINC000477925947 299364365 /nfs/dbraw/zinc/36/43/65/299364365.db2.gz FDVPHYTYYAUFFM-QGZVFWFLSA-N 1 3 323.525 2.879 20 0 DFADHO C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477925947 299364367 /nfs/dbraw/zinc/36/43/67/299364367.db2.gz FDVPHYTYYAUFFM-QGZVFWFLSA-N 1 3 323.525 2.879 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000268969081 283939134 /nfs/dbraw/zinc/93/91/34/283939134.db2.gz HVCNEEMRZKBMDN-SJORKVTESA-N 1 3 306.425 2.508 20 0 DFADHO CN(C)Cc1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000479450319 299377588 /nfs/dbraw/zinc/37/75/88/299377588.db2.gz UFEGDQFNWNZPSA-QGZVFWFLSA-N 1 3 303.450 2.951 20 0 DFADHO CN(C)Cc1ccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000479450319 299377592 /nfs/dbraw/zinc/37/75/92/299377592.db2.gz UFEGDQFNWNZPSA-QGZVFWFLSA-N 1 3 303.450 2.951 20 0 DFADHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccncc1 ZINC000174252744 296118659 /nfs/dbraw/zinc/11/86/59/296118659.db2.gz ZKCBSGLOOFVELH-QGZVFWFLSA-N 1 3 316.493 2.683 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)CC1 ZINC000337508674 284076878 /nfs/dbraw/zinc/07/68/78/284076878.db2.gz HJWUXYFUTTVXNX-IBGZPJMESA-N 1 3 313.489 2.856 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419327190 296134588 /nfs/dbraw/zinc/13/45/88/296134588.db2.gz NIPIJINDBXUYAG-DLBZAZTESA-N 1 3 323.525 2.734 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000261811142 203123502 /nfs/dbraw/zinc/12/35/02/203123502.db2.gz ZRSWQSCREHMQKV-OIISXLGYSA-N 1 3 301.434 2.607 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000261815677 203124826 /nfs/dbraw/zinc/12/48/26/203124826.db2.gz WEYQOVPDWDYGPG-JZXOWHBKSA-N 1 3 319.493 2.949 20 0 DFADHO CCN(CC)[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000261884764 203144012 /nfs/dbraw/zinc/14/40/12/203144012.db2.gz UXKVMCYWEQHEIV-GDBMZVCRSA-N 1 3 323.506 2.637 20 0 DFADHO COc1cc2c(c(CN(C)CC3CC[NH+](C)CC3)c1)O[C@H](C)C2 ZINC000093088642 193202336 /nfs/dbraw/zinc/20/23/36/193202336.db2.gz UWJAGERZWWKOBQ-CQSZACIVSA-N 1 3 318.461 2.792 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cccc(OC)c2)C1 ZINC000340194242 284157451 /nfs/dbraw/zinc/15/74/51/284157451.db2.gz HPODPHLBURSQNY-SFHVURJKSA-N 1 3 306.450 2.628 20 0 DFADHO C[N@H+](CCCc1nc(-c2cccs2)no1)CC(C)(C)CN ZINC000093874053 193322400 /nfs/dbraw/zinc/32/24/00/193322400.db2.gz YKJWPDCBMBLSML-UHFFFAOYSA-N 1 3 308.451 2.647 20 0 DFADHO C[N@@H+](CCCc1nc(-c2cccs2)no1)CC(C)(C)CN ZINC000093874053 193322401 /nfs/dbraw/zinc/32/24/01/193322401.db2.gz YKJWPDCBMBLSML-UHFFFAOYSA-N 1 3 308.451 2.647 20 0 DFADHO CCOc1cc2nccc(N3CCC([NH3+])CC3)c2cc1OCC ZINC000420142903 296159733 /nfs/dbraw/zinc/15/97/33/296159733.db2.gz KXVIRINBYMRTRT-UHFFFAOYSA-N 1 3 315.417 2.960 20 0 DFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000420273956 296168115 /nfs/dbraw/zinc/16/81/15/296168115.db2.gz OAMVPPPMGHBECE-GDBMZVCRSA-N 1 3 319.449 2.616 20 0 DFADHO CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000420273956 296168116 /nfs/dbraw/zinc/16/81/16/296168116.db2.gz OAMVPPPMGHBECE-GDBMZVCRSA-N 1 3 319.449 2.616 20 0 DFADHO CCOc1cc2nccc(NC[C@H]([NH3+])CC)c2cc1OCC ZINC000420266535 296167491 /nfs/dbraw/zinc/16/74/91/296167491.db2.gz QVKKSUUCFJSTBR-GFCCVEGCSA-N 1 3 303.406 2.603 20 0 DFADHO Cc1ccc2nccc(N3C[C@@H](C[NH3+])C4(C3)CCOCC4)c2c1 ZINC000420282328 296169052 /nfs/dbraw/zinc/16/90/52/296169052.db2.gz WKWKFGQNHWMFDL-OAHLLOKOSA-N 1 3 311.429 2.735 20 0 DFADHO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000264894105 204246822 /nfs/dbraw/zinc/24/68/22/204246822.db2.gz KLLMQLQVCRXYMO-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO Cc1cccc([C@H]2CCCCC[N@@H+]2CCN2CCNCC2)c1 ZINC000420296128 296171056 /nfs/dbraw/zinc/17/10/56/296171056.db2.gz DDERZMFEDCGNLI-LJQANCHMSA-N 1 3 301.478 2.817 20 0 DFADHO Cc1cccc([C@H]2CCCCC[N@H+]2CCN2CCNCC2)c1 ZINC000420296128 296171057 /nfs/dbraw/zinc/17/10/57/296171057.db2.gz DDERZMFEDCGNLI-LJQANCHMSA-N 1 3 301.478 2.817 20 0 DFADHO CCN(CC[C@H]1CCC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420301107 296171708 /nfs/dbraw/zinc/17/17/08/296171708.db2.gz LAWNFWLSFRTKOQ-SJLPKXTDSA-N 1 3 315.461 2.504 20 0 DFADHO COc1ccc([C@@H](C[NH3+])CN2CCC(OCC3CC3)CC2)cc1 ZINC000420300707 296171713 /nfs/dbraw/zinc/17/17/13/296171713.db2.gz KJTLMLNUTGQYKT-KRWDZBQOSA-N 1 3 318.461 2.629 20 0 DFADHO COc1ccc([C@@H](CN)C[NH+]2CCC(OCC3CC3)CC2)cc1 ZINC000420300707 296171715 /nfs/dbraw/zinc/17/17/15/296171715.db2.gz KJTLMLNUTGQYKT-KRWDZBQOSA-N 1 3 318.461 2.629 20 0 DFADHO C[C@@H](C[N@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1)c1ccccc1 ZINC000420302587 296171950 /nfs/dbraw/zinc/17/19/50/296171950.db2.gz MSBHYMTXLBCUEU-VDGAXYAQSA-N 1 3 312.457 2.653 20 0 DFADHO C[C@@H](C[N@@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1)c1ccccc1 ZINC000420302587 296171952 /nfs/dbraw/zinc/17/19/52/296171952.db2.gz MSBHYMTXLBCUEU-VDGAXYAQSA-N 1 3 312.457 2.653 20 0 DFADHO C[C@@H](CN(C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000420302587 296171954 /nfs/dbraw/zinc/17/19/54/296171954.db2.gz MSBHYMTXLBCUEU-VDGAXYAQSA-N 1 3 312.457 2.653 20 0 DFADHO CCN(CCN1CC[NH2+]CC1)[C@H](C)c1cc2ccccc2o1 ZINC000420322290 296175020 /nfs/dbraw/zinc/17/50/20/296175020.db2.gz SKEHMPRFPOBUED-OAHLLOKOSA-N 1 3 301.434 2.721 20 0 DFADHO Cc1cccc(C)c1OCCN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420323184 296175359 /nfs/dbraw/zinc/17/53/59/296175359.db2.gz AYQIYJJBCWHHDO-MJGOQNOKSA-N 1 3 318.461 2.510 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000420323975 296175420 /nfs/dbraw/zinc/17/54/20/296175420.db2.gz UUJLLVAPIUQYBL-BBWFWOEESA-N 1 3 316.470 2.816 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000420323975 296175422 /nfs/dbraw/zinc/17/54/22/296175422.db2.gz UUJLLVAPIUQYBL-BBWFWOEESA-N 1 3 316.470 2.816 20 0 DFADHO COc1cccc(CN(CC[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420328528 296176074 /nfs/dbraw/zinc/17/60/74/296176074.db2.gz ZUPCVOOWLVVSPU-QFBILLFUSA-N 1 3 318.461 2.676 20 0 DFADHO COc1cccc(OCCN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420343054 296177795 /nfs/dbraw/zinc/17/77/95/296177795.db2.gz YLEVUAHUGJUMJX-GOSISDBHSA-N 1 3 304.434 2.538 20 0 DFADHO Cc1cc(C)cc(NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420345049 296178240 /nfs/dbraw/zinc/17/82/40/296178240.db2.gz UZDOYQANIKFKPP-YESZJQIVSA-N 1 3 315.461 2.562 20 0 DFADHO Cc1ccc(NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000420347823 296178370 /nfs/dbraw/zinc/17/83/70/296178370.db2.gz ZJTIPDFOTFVOIE-YESZJQIVSA-N 1 3 315.461 2.562 20 0 DFADHO C[C@@H](O)CN(C[C@@H]1CCC[NH2+]C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000261886934 296180597 /nfs/dbraw/zinc/18/05/97/296180597.db2.gz XBFWXKYDNYCSQH-BFYDXBDKSA-N 1 3 324.896 2.953 20 0 DFADHO C[C@@H](O)C[N@H+](C[C@@H]1CCCNC1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000261886934 296180598 /nfs/dbraw/zinc/18/05/98/296180598.db2.gz XBFWXKYDNYCSQH-BFYDXBDKSA-N 1 3 324.896 2.953 20 0 DFADHO C[C@@H](O)C[N@@H+](C[C@@H]1CCCNC1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000261886934 296180599 /nfs/dbraw/zinc/18/05/99/296180599.db2.gz XBFWXKYDNYCSQH-BFYDXBDKSA-N 1 3 324.896 2.953 20 0 DFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOC2CCCCCC2)CC1 ZINC000420384006 296183860 /nfs/dbraw/zinc/18/38/60/296183860.db2.gz RBUOVWXFIQFHOB-OALUTQOASA-N 1 3 324.509 2.944 20 0 DFADHO NC[C@H]1C[N@H+](CCCSc2ccccc2Cl)CCCO1 ZINC000420384215 296184083 /nfs/dbraw/zinc/18/40/83/296184083.db2.gz GDWFNOSCPWJJHX-ZDUSSCGKSA-N 1 3 314.882 2.872 20 0 DFADHO NC[C@H]1C[N@@H+](CCCSc2ccccc2Cl)CCCO1 ZINC000420384215 296184085 /nfs/dbraw/zinc/18/40/85/296184085.db2.gz GDWFNOSCPWJJHX-ZDUSSCGKSA-N 1 3 314.882 2.872 20 0 DFADHO C[C@@H]1CCN(CCCc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000420385231 296184322 /nfs/dbraw/zinc/18/43/22/296184322.db2.gz SPSRTVKPQJXXFF-GDBMZVCRSA-N 1 3 314.433 2.586 20 0 DFADHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(F)cc1 ZINC000420393070 296185152 /nfs/dbraw/zinc/18/51/52/296185152.db2.gz JJRMWYQEOGONRH-YOEHRIQHSA-N 1 3 319.424 2.618 20 0 DFADHO CC(C)N1CC[C@@H]([NH2+]C[C@H](C)N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420404590 296186853 /nfs/dbraw/zinc/18/68/53/296186853.db2.gz MGLPEOCQXMQSJO-IUIKQTSFSA-N 1 3 313.848 2.940 20 0 DFADHO CC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H](C)C(C)C ZINC000157860640 284399063 /nfs/dbraw/zinc/39/90/63/284399063.db2.gz RJYKGRBRXNDAJI-FUHWJXTLSA-N 1 3 319.493 2.772 20 0 DFADHO CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H](C)C(C)C ZINC000157860640 284399064 /nfs/dbraw/zinc/39/90/64/284399064.db2.gz RJYKGRBRXNDAJI-FUHWJXTLSA-N 1 3 319.493 2.772 20 0 DFADHO CC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H](C)C(C)C ZINC000249357250 284399544 /nfs/dbraw/zinc/39/95/44/284399544.db2.gz RJYKGRBRXNDAJI-SJLPKXTDSA-N 1 3 319.493 2.772 20 0 DFADHO CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H](C)C(C)C ZINC000249357250 284399545 /nfs/dbraw/zinc/39/95/45/284399545.db2.gz RJYKGRBRXNDAJI-SJLPKXTDSA-N 1 3 319.493 2.772 20 0 DFADHO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Nc2ccncc2)cc1 ZINC000081292940 399223787 /nfs/dbraw/zinc/22/37/87/399223787.db2.gz FUOLRHZRBMLYDY-KRWDZBQOSA-N 1 3 322.412 2.792 20 0 DFADHO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Nc2ccncc2)cc1 ZINC000081292940 399223789 /nfs/dbraw/zinc/22/37/89/399223789.db2.gz FUOLRHZRBMLYDY-KRWDZBQOSA-N 1 3 322.412 2.792 20 0 DFADHO CCN1CCC([N@@H+]2CCCN(CCc3ccccc3)CC2)CC1 ZINC000420982076 296220729 /nfs/dbraw/zinc/22/07/29/296220729.db2.gz OONNZRJHLLSYOG-UHFFFAOYSA-N 1 3 315.505 2.721 20 0 DFADHO CCN1CCC([N@H+]2CCCN(CCc3ccccc3)CC2)CC1 ZINC000420982076 296220731 /nfs/dbraw/zinc/22/07/31/296220731.db2.gz OONNZRJHLLSYOG-UHFFFAOYSA-N 1 3 315.505 2.721 20 0 DFADHO CON1CCC(NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000421402383 296252964 /nfs/dbraw/zinc/25/29/64/296252964.db2.gz VSKPWIDEEOPPMG-QAPCUYQASA-N 1 3 309.498 2.645 20 0 DFADHO CON1CCC([NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000421402383 296252966 /nfs/dbraw/zinc/25/29/66/296252966.db2.gz VSKPWIDEEOPPMG-QAPCUYQASA-N 1 3 309.498 2.645 20 0 DFADHO CC1(C)CC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000284449712 218031869 /nfs/dbraw/zinc/03/18/69/218031869.db2.gz SLNXRSJVABZHPA-GOSISDBHSA-N 1 3 302.462 2.922 20 0 DFADHO CC(C)[N@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CCCCC1 ZINC000104682050 194025810 /nfs/dbraw/zinc/02/58/10/194025810.db2.gz LLDKLPPHXRYCBX-UHFFFAOYSA-N 1 3 321.509 2.773 20 0 DFADHO CC(C)[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CCCCC1 ZINC000104682050 194025813 /nfs/dbraw/zinc/02/58/13/194025813.db2.gz LLDKLPPHXRYCBX-UHFFFAOYSA-N 1 3 321.509 2.773 20 0 DFADHO CN(C)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336029 399365813 /nfs/dbraw/zinc/36/58/13/399365813.db2.gz RGROPLDXIMPBSH-DLBZAZTESA-N 1 3 307.457 2.891 20 0 DFADHO CN(C)[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336029 399365817 /nfs/dbraw/zinc/36/58/17/399365817.db2.gz RGROPLDXIMPBSH-DLBZAZTESA-N 1 3 307.457 2.891 20 0 DFADHO CN(C)[C@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336029 399365819 /nfs/dbraw/zinc/36/58/19/399365819.db2.gz RGROPLDXIMPBSH-DLBZAZTESA-N 1 3 307.457 2.891 20 0 DFADHO CN1CC[C@H]([NH2+]CCN2CCc3ccccc3C2)CC1(C)C ZINC000623346974 399368163 /nfs/dbraw/zinc/36/81/63/399368163.db2.gz KAMNZOWDVXYEAR-SFHVURJKSA-N 1 3 301.478 2.507 20 0 DFADHO C[N@@H+]1CC[C@H](NCCN2CCc3ccccc3C2)CC1(C)C ZINC000623346974 399368167 /nfs/dbraw/zinc/36/81/67/399368167.db2.gz KAMNZOWDVXYEAR-SFHVURJKSA-N 1 3 301.478 2.507 20 0 DFADHO C[N@H+]1CC[C@H](NCCN2CCc3ccccc3C2)CC1(C)C ZINC000623346974 399368169 /nfs/dbraw/zinc/36/81/69/399368169.db2.gz KAMNZOWDVXYEAR-SFHVURJKSA-N 1 3 301.478 2.507 20 0 DFADHO C[NH+](C)CCOc1cccc(CNCc2cccc3n[nH]cc32)c1 ZINC000623361451 399372169 /nfs/dbraw/zinc/37/21/69/399372169.db2.gz CRZILGVNVPYVSP-UHFFFAOYSA-N 1 3 324.428 2.793 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C1([NH3+])CCCCC1)c1ccccc1 ZINC000236819094 284766567 /nfs/dbraw/zinc/76/65/67/284766567.db2.gz YXWPSNHTFFXUKF-KRWDZBQOSA-N 1 3 317.477 2.847 20 0 DFADHO Cc1cc(CNCC2CC[NH+](C)CC2)ncc1Br ZINC000623404379 399381389 /nfs/dbraw/zinc/38/13/89/399381389.db2.gz ZQLMVCXCPUDGSQ-UHFFFAOYSA-N 1 3 312.255 2.584 20 0 DFADHO COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623418505 399385033 /nfs/dbraw/zinc/38/50/33/399385033.db2.gz SOJFYDMTJDFQHW-ZFWWWQNUSA-N 1 3 304.434 2.981 20 0 DFADHO COc1cc(NCCN[C@H]2CC[N@H+](C)C(C)(C)C2)cc(OC)c1 ZINC000623470633 399397016 /nfs/dbraw/zinc/39/70/16/399397016.db2.gz UKJVLQVNNOWUTB-AWEZNQCLSA-N 1 3 321.465 2.578 20 0 DFADHO COc1cc(NCCN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1 ZINC000623470633 399397018 /nfs/dbraw/zinc/39/70/18/399397018.db2.gz UKJVLQVNNOWUTB-AWEZNQCLSA-N 1 3 321.465 2.578 20 0 DFADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000268879643 207048580 /nfs/dbraw/zinc/04/85/80/207048580.db2.gz XJSLDZPYRRCMAX-NVXWUHKLSA-N 1 3 306.450 2.583 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2nc3c(cccc3C)o2)[C@@H](C)C1 ZINC000268880114 207050991 /nfs/dbraw/zinc/05/09/91/207050991.db2.gz AVTXGMAJRMSZNU-LSDHHAIUSA-N 1 3 301.434 2.999 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2nc3c(cccc3C)o2)[C@@H](C)C1 ZINC000268880114 207050997 /nfs/dbraw/zinc/05/09/97/207050997.db2.gz AVTXGMAJRMSZNU-LSDHHAIUSA-N 1 3 301.434 2.999 20 0 DFADHO CC[C@H](CCO)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000268898167 207066912 /nfs/dbraw/zinc/06/69/12/207066912.db2.gz BBYQWMDZCYEUFM-HZPDHXFCSA-N 1 3 308.466 2.686 20 0 DFADHO Cn1c2ccccc2nc1CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000268901182 207068772 /nfs/dbraw/zinc/06/87/72/207068772.db2.gz UNBKSCSTAHHRMH-WBVHZDCISA-N 1 3 312.461 2.532 20 0 DFADHO Cn1c2ccccc2nc1CCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000268901182 207068777 /nfs/dbraw/zinc/06/87/77/207068777.db2.gz UNBKSCSTAHHRMH-WBVHZDCISA-N 1 3 312.461 2.532 20 0 DFADHO Cn1c2ccccc2nc1CC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000268901182 207068782 /nfs/dbraw/zinc/06/87/82/207068782.db2.gz UNBKSCSTAHHRMH-WBVHZDCISA-N 1 3 312.461 2.532 20 0 DFADHO Cn1c2ccccc2nc1CC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000268901182 207068785 /nfs/dbraw/zinc/06/87/85/207068785.db2.gz UNBKSCSTAHHRMH-WBVHZDCISA-N 1 3 312.461 2.532 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623493628 399401119 /nfs/dbraw/zinc/40/11/19/399401119.db2.gz LWLRJFCVDHNIGW-QRQLOZEOSA-N 1 3 315.505 2.969 20 0 DFADHO COCCC[C@H](C)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000268914946 207082628 /nfs/dbraw/zinc/08/26/28/207082628.db2.gz UWWYQSXHQYOURT-INIZCTEOSA-N 1 3 308.466 2.574 20 0 DFADHO COc1ccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1F ZINC000422702052 296318589 /nfs/dbraw/zinc/31/85/89/296318589.db2.gz CZGFABVUPZYWMP-GFCCVEGCSA-N 1 3 317.408 2.890 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCCNc1ccccn1 ZINC000422701775 296318630 /nfs/dbraw/zinc/31/86/30/296318630.db2.gz JFPUTRGRUJSALV-CQSZACIVSA-N 1 3 313.449 2.787 20 0 DFADHO C[C@H](NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422703003 296318652 /nfs/dbraw/zinc/31/86/52/296318652.db2.gz MBKUKWORVDMOFE-LPHOPBHVSA-N 1 3 315.505 2.944 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCCCN1 ZINC000422703003 296318654 /nfs/dbraw/zinc/31/86/54/296318654.db2.gz MBKUKWORVDMOFE-LPHOPBHVSA-N 1 3 315.505 2.944 20 0 DFADHO C[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])N1CCc2sccc2C1 ZINC000422707590 296319298 /nfs/dbraw/zinc/31/92/98/296319298.db2.gz AMYNXHBRSBOMAF-VNQPRFMTSA-N 1 3 307.507 2.744 20 0 DFADHO CC(C)N(C(=O)[C@@H](C)N1CCC(CC[NH+](C)C)CC1)C(C)C ZINC000056524051 184015064 /nfs/dbraw/zinc/01/50/64/184015064.db2.gz HAZWHNRYFADUBC-MRXNPFEDSA-N 1 3 311.514 2.684 20 0 DFADHO C[C@@H](NCCc1cc(Br)ccc1F)[C@H]1CC[NH2+]C1 ZINC000422709952 296319760 /nfs/dbraw/zinc/31/97/60/296319760.db2.gz ZZSHXKIGBUAWDW-PWSUYJOCSA-N 1 3 315.230 2.718 20 0 DFADHO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000422712118 296320018 /nfs/dbraw/zinc/32/00/18/296320018.db2.gz GKJQXBDLMCXRJC-DOTOQJQBSA-N 1 3 309.498 2.521 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@H]2c2ccccc2)CC1(C)C ZINC000623527775 399409067 /nfs/dbraw/zinc/40/90/67/399409067.db2.gz GRDPKCYXWJFZCR-LNLFQRSKSA-N 1 3 302.462 2.615 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@]2(CO)C[C@H]2c2ccccc2)CC1(C)C ZINC000623527775 399409069 /nfs/dbraw/zinc/40/90/69/399409069.db2.gz GRDPKCYXWJFZCR-LNLFQRSKSA-N 1 3 302.462 2.615 20 0 DFADHO CN(C)c1c(CNCCCC[N@H+](C)C2CC2)ccc(F)c1F ZINC000623544603 399412995 /nfs/dbraw/zinc/41/29/95/399412995.db2.gz AUGVCFGJLDAXGE-UHFFFAOYSA-N 1 3 311.420 2.995 20 0 DFADHO CN(C)c1c(CNCCCC[N@@H+](C)C2CC2)ccc(F)c1F ZINC000623544603 399412998 /nfs/dbraw/zinc/41/29/98/399412998.db2.gz AUGVCFGJLDAXGE-UHFFFAOYSA-N 1 3 311.420 2.995 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000623563633 399417068 /nfs/dbraw/zinc/41/70/68/399417068.db2.gz FFKFCFCJEDZTPX-FCDRMGDPSA-N 1 3 314.473 2.777 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422725449 296322163 /nfs/dbraw/zinc/32/21/63/296322163.db2.gz YAQJEVBSMVYGNP-QAPCUYQASA-N 1 3 305.441 2.507 20 0 DFADHO O[C@H]1CCC[C@H]1[NH+]1CCC(NCc2cccc3[nH]ccc32)CC1 ZINC000268988906 207147104 /nfs/dbraw/zinc/14/71/04/207147104.db2.gz UWJVNLSEZFMZTH-MOPGFXCFSA-N 1 3 313.445 2.635 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1cccs1)N1CCCC1 ZINC000422731446 296323076 /nfs/dbraw/zinc/32/30/76/296323076.db2.gz LRVWARKICLOGSJ-PMPSAXMXSA-N 1 3 307.507 2.863 20 0 DFADHO C[C@H](CC[NH+](C)C)N[C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000268995760 207151368 /nfs/dbraw/zinc/15/13/68/207151368.db2.gz KNCHSFQGNYBWIP-CVEARBPZSA-N 1 3 305.466 2.514 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1(C(=O)N(C)C)CCCC1 ZINC000422730584 296323138 /nfs/dbraw/zinc/32/31/38/296323138.db2.gz MFPLCUHMLAPTOE-CVEARBPZSA-N 1 3 309.498 2.535 20 0 DFADHO COc1ccc([C@H](NC[C@H](C)N(C)C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422732688 296323408 /nfs/dbraw/zinc/32/34/08/296323408.db2.gz AGZUIQWGJOUJIN-KYNGSXCRSA-N 1 3 317.477 2.561 20 0 DFADHO CCc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)N(C)C)cc1 ZINC000422732796 296323509 /nfs/dbraw/zinc/32/35/09/296323509.db2.gz PIOJTJBBZBTAIF-SNRMKQJTSA-N 1 3 303.494 2.829 20 0 DFADHO CO[C@H](C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C(C)C ZINC000269011556 207162741 /nfs/dbraw/zinc/16/27/41/207162741.db2.gz XNQLOJZECYAILT-CRAIPNDOSA-N 1 3 308.466 2.949 20 0 DFADHO COCCOc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000623655619 399435675 /nfs/dbraw/zinc/43/56/75/399435675.db2.gz ALSNUPWNGFMPSC-KRWDZBQOSA-N 1 3 306.450 2.533 20 0 DFADHO CN1CCCC[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000623656493 399437278 /nfs/dbraw/zinc/43/72/78/399437278.db2.gz VJKLZAZKHDHVJD-IBGZPJMESA-N 1 3 315.505 2.973 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cc(OC)ccc1OC ZINC000269097091 207237668 /nfs/dbraw/zinc/23/76/68/207237668.db2.gz SDQJBESLWCDXDD-ZBFHGGJFSA-N 1 3 324.465 2.711 20 0 DFADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000063195095 184278054 /nfs/dbraw/zinc/27/80/54/184278054.db2.gz UKTMCXNVQXKGPP-WFASDCNBSA-N 1 3 309.841 2.870 20 0 DFADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000063195095 184278056 /nfs/dbraw/zinc/27/80/56/184278056.db2.gz UKTMCXNVQXKGPP-WFASDCNBSA-N 1 3 309.841 2.870 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCCN(Cc2ccccc2)CC1 ZINC000269138682 207270445 /nfs/dbraw/zinc/27/04/45/207270445.db2.gz XKFFKVKODPENBM-LJQANCHMSA-N 1 3 301.478 2.679 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCCN(Cc2ccccc2)CC1 ZINC000269138682 207270448 /nfs/dbraw/zinc/27/04/48/207270448.db2.gz XKFFKVKODPENBM-LJQANCHMSA-N 1 3 301.478 2.679 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000422736587 296323908 /nfs/dbraw/zinc/32/39/08/296323908.db2.gz YFKMDXPHCGNALQ-MAZHCROVSA-N 1 3 310.869 2.960 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC(C)(C)c1ccc(Cl)cc1 ZINC000422736587 296323909 /nfs/dbraw/zinc/32/39/09/296323909.db2.gz YFKMDXPHCGNALQ-MAZHCROVSA-N 1 3 310.869 2.960 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000422738253 296324013 /nfs/dbraw/zinc/32/40/13/296324013.db2.gz JHQXRVVPMJVKCY-QRVBRYPASA-N 1 3 301.478 2.901 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422750581 296326091 /nfs/dbraw/zinc/32/60/91/296326091.db2.gz AAYXPSMRCALANW-UWWQBHOKSA-N 1 3 305.441 2.772 20 0 DFADHO Cc1nc2ccccc2n1CCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422756033 296327257 /nfs/dbraw/zinc/32/72/57/296327257.db2.gz KZBGADYVDGGGMV-GOEBONIOSA-N 1 3 300.450 2.855 20 0 DFADHO COc1ccc(OC)c(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422761095 296328343 /nfs/dbraw/zinc/32/83/43/296328343.db2.gz MMJJOHNAOKJDOQ-QZTJIDSGSA-N 1 3 312.413 2.981 20 0 DFADHO Fc1cccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422756361 296327646 /nfs/dbraw/zinc/32/76/46/296327646.db2.gz CFMVPGHHNNOVSY-OKZBNKHCSA-N 1 3 318.436 2.604 20 0 DFADHO COc1ccc(OC)c(CC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)c1 ZINC000422761095 296328345 /nfs/dbraw/zinc/32/83/45/296328345.db2.gz MMJJOHNAOKJDOQ-QZTJIDSGSA-N 1 3 312.413 2.981 20 0 DFADHO Clc1cccc(C2(C[NH2+]C3CCNCC3)CCOCC2)c1 ZINC000422764451 296329133 /nfs/dbraw/zinc/32/91/33/296329133.db2.gz PQEXTNHJYQDELZ-UHFFFAOYSA-N 1 3 308.853 2.730 20 0 DFADHO Clc1cccc(C2(CNC3CC[NH2+]CC3)CCOCC2)c1 ZINC000422764451 296329134 /nfs/dbraw/zinc/32/91/34/296329134.db2.gz PQEXTNHJYQDELZ-UHFFFAOYSA-N 1 3 308.853 2.730 20 0 DFADHO CCOc1ccc(CCN[C@H]2CCC[NH2+]CC2)cc1OCC ZINC000422764003 296329299 /nfs/dbraw/zinc/32/92/99/296329299.db2.gz PFMHVAJTDYYDOZ-INIZCTEOSA-N 1 3 306.450 2.758 20 0 DFADHO CCOc1ccc(CC[NH2+][C@H]2CCCNCC2)cc1OCC ZINC000422764003 296329300 /nfs/dbraw/zinc/32/93/00/296329300.db2.gz PFMHVAJTDYYDOZ-INIZCTEOSA-N 1 3 306.450 2.758 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCN1c2ccccc2C[C@@H]1C ZINC000422764408 296329421 /nfs/dbraw/zinc/32/94/21/296329421.db2.gz OLWQHUQUPIJSLF-LSDHHAIUSA-N 1 3 324.472 2.951 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000422769934 296330391 /nfs/dbraw/zinc/33/03/91/296330391.db2.gz VPHKPYWBPKDQQS-WBMJQRKESA-N 1 3 318.490 2.864 20 0 DFADHO CCOc1cc(CCC[NH2+][C@@H]2CCC[C@H]2CN)ccc1OC ZINC000422768937 296329869 /nfs/dbraw/zinc/32/98/69/296329869.db2.gz ZSNATKYWMAOLOW-JKSUJKDBSA-N 1 3 306.450 2.744 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000422771649 296330319 /nfs/dbraw/zinc/33/03/19/296330319.db2.gz XPIZXRXQIRKQDZ-MTQWCTHYSA-N 1 3 316.489 2.738 20 0 DFADHO Clc1cnc(NCCN[C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000422781861 296331830 /nfs/dbraw/zinc/33/18/30/296331830.db2.gz LFTLGRBGEZMMDP-NSHDSACASA-N 1 3 303.237 2.532 20 0 DFADHO CN(C)C1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)Cc2ccccc2C1 ZINC000422785228 296332419 /nfs/dbraw/zinc/33/24/19/296332419.db2.gz PFPGNRXJXFFYKB-PMACEKPBSA-N 1 3 321.468 2.820 20 0 DFADHO C[C@H]([NH2+]CC[C@H]1CCOC1)c1ccc(OCCN(C)C)cc1 ZINC000346893657 284973715 /nfs/dbraw/zinc/97/37/15/284973715.db2.gz YBIDQMHFULIQHM-HOTGVXAUSA-N 1 3 306.450 2.704 20 0 DFADHO CCO[C@@H]1C[C@H](N[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])C12CCC2 ZINC000422787268 296332644 /nfs/dbraw/zinc/33/26/44/296332644.db2.gz UKZQGDFIXIEXPT-LAVFITLUSA-N 1 3 302.462 2.882 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCCNc1ncc(Cl)cc1Cl ZINC000422786347 296332692 /nfs/dbraw/zinc/33/26/92/296332692.db2.gz QFKWYXKRGQIRSW-BXKDBHETSA-N 1 3 303.237 2.517 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422786347 296332694 /nfs/dbraw/zinc/33/26/94/296332694.db2.gz QFKWYXKRGQIRSW-BXKDBHETSA-N 1 3 303.237 2.517 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCNc1ncc(Cl)cc1Cl ZINC000422795176 296334230 /nfs/dbraw/zinc/33/42/30/296334230.db2.gz ZUOAUSCCQBIHGZ-GXFFZTMASA-N 1 3 317.264 2.778 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422798337 296334776 /nfs/dbraw/zinc/33/47/76/296334776.db2.gz QRRXJENDEAEOTP-MAUKXSAKSA-N 1 3 316.493 2.764 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422798337 296334777 /nfs/dbraw/zinc/33/47/77/296334777.db2.gz QRRXJENDEAEOTP-MAUKXSAKSA-N 1 3 316.493 2.764 20 0 DFADHO CC(C)c1ccc([C@@H](N)CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC000422797544 296334844 /nfs/dbraw/zinc/33/48/44/296334844.db2.gz NFXIPUGYVCDGCA-KRWDZBQOSA-N 1 3 315.461 2.554 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])c1cccc(OC)c1 ZINC000422797258 296334898 /nfs/dbraw/zinc/33/48/98/296334898.db2.gz LSAJRYRQZCPWON-QXAKKESOSA-N 1 3 319.493 2.795 20 0 DFADHO C[C@@H](C[NH2+]C1CCNCC1)Oc1ccc(Br)cc1 ZINC000422797152 296334947 /nfs/dbraw/zinc/33/49/47/296334947.db2.gz LEKPJHOANMPZPZ-NSHDSACASA-N 1 3 313.239 2.558 20 0 DFADHO c1cn(Cc2ccccc2CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000422803956 296335793 /nfs/dbraw/zinc/33/57/93/296335793.db2.gz DRMNARZRDWGDTD-SLFFLAALSA-N 1 3 324.472 2.942 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000422805784 296336217 /nfs/dbraw/zinc/33/62/17/296336217.db2.gz JOABGHQIIZPPIG-IEBWSBKVSA-N 1 3 301.478 2.542 20 0 DFADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1CN)c1ccc2c(c1)OCO2 ZINC000422808116 296336910 /nfs/dbraw/zinc/33/69/10/296336910.db2.gz AJGSYEZSWZZRHY-DZGCQCFKSA-N 1 3 304.434 2.800 20 0 DFADHO CC(C)(C[NH2+][C@H]1CCCC[C@H]1CN)c1ccc2c(c1)OCO2 ZINC000422808119 296337051 /nfs/dbraw/zinc/33/70/51/296337051.db2.gz AJGSYEZSWZZRHY-ZFWWWQNUSA-N 1 3 304.434 2.800 20 0 DFADHO CCCCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1(C)C ZINC000422819515 296339079 /nfs/dbraw/zinc/33/90/79/296339079.db2.gz NCUXSMBRXRVISW-HSFUPAIVSA-N 1 3 324.509 2.717 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422821258 296339243 /nfs/dbraw/zinc/33/92/43/296339243.db2.gz VGHPSBRVKVIVOA-GJZGRUSLSA-N 1 3 321.431 2.758 20 0 DFADHO c1c(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc2ccccn12 ZINC000422815820 296338422 /nfs/dbraw/zinc/33/84/22/296338422.db2.gz CNNWRQAYQFVDTR-RCCFBDPRSA-N 1 3 312.461 2.777 20 0 DFADHO CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000631844720 399507040 /nfs/dbraw/zinc/50/70/40/399507040.db2.gz LRNGSDNGVNDCQL-KBXCAEBGSA-N 1 3 313.449 2.868 20 0 DFADHO CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000631844720 399507044 /nfs/dbraw/zinc/50/70/44/399507044.db2.gz LRNGSDNGVNDCQL-KBXCAEBGSA-N 1 3 313.449 2.868 20 0 DFADHO Cc1ccc([C@H](CN[C@H](C)[C@@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000422826671 296340154 /nfs/dbraw/zinc/34/01/54/296340154.db2.gz LRUZYFCXLFENGC-QRQLOZEOSA-N 1 3 301.478 2.720 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)Cc1ccccc1 ZINC000422829492 296340796 /nfs/dbraw/zinc/34/07/96/296340796.db2.gz HPBRERQHLPYHJT-NZSAHSFTSA-N 1 3 303.494 2.527 20 0 DFADHO COc1ccccc1N1CCC([NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000422839649 296342385 /nfs/dbraw/zinc/34/23/85/296342385.db2.gz RCKLAPBYBLSZMC-RDJZCZTQSA-N 1 3 317.477 2.642 20 0 DFADHO C[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422833297 296341298 /nfs/dbraw/zinc/34/12/98/296341298.db2.gz MHHPGCXAJBCADQ-NEWSRXKRSA-N 1 3 301.478 2.771 20 0 DFADHO CCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1(CC)CC ZINC000422837787 296342124 /nfs/dbraw/zinc/34/21/24/296342124.db2.gz MUAUERGWBZCUCO-MDMSPXHWSA-N 1 3 324.509 2.717 20 0 DFADHO C[C@H](CN1CCCCC1)[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000422838941 296342505 /nfs/dbraw/zinc/34/25/05/296342505.db2.gz YUFYXACGPKQFCR-BHIYHBOVSA-N 1 3 301.478 2.944 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422850956 296344581 /nfs/dbraw/zinc/34/45/81/296344581.db2.gz WKOUBRIOEMJRLE-KGLIPLIRSA-N 1 3 312.417 2.549 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422850958 296344633 /nfs/dbraw/zinc/34/46/33/296344633.db2.gz WKOUBRIOEMJRLE-ZIAGYGMSSA-N 1 3 312.417 2.549 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccnc(OCC(F)(F)F)c1 ZINC000422854021 296345266 /nfs/dbraw/zinc/34/52/66/296345266.db2.gz CITRNHJRNBHXJV-OLZOCXBDSA-N 1 3 317.355 2.630 20 0 DFADHO COc1ccccc1N1CC[C@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422853308 296345331 /nfs/dbraw/zinc/34/53/31/296345331.db2.gz RXRSKQPKNHGYEB-BRWVUGGUSA-N 1 3 317.477 2.642 20 0 DFADHO Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3CN)cc2)n1 ZINC000422856556 296345503 /nfs/dbraw/zinc/34/55/03/296345503.db2.gz GHEOGYNTDNLANH-PKOBYXMFSA-N 1 3 312.461 2.749 20 0 DFADHO c1cn(-c2ccccc2)nc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422857599 296345810 /nfs/dbraw/zinc/34/58/10/296345810.db2.gz HBQFJBSWUTVFKI-ZCNNSNEGSA-N 1 3 324.472 2.925 20 0 DFADHO CCOc1ccc(C2(C[NH2+][C@@H](C)C[C@H](C)N)CCOCC2)cc1 ZINC000422874541 296348348 /nfs/dbraw/zinc/34/83/48/296348348.db2.gz AIJHRXYXVIVHST-HOTGVXAUSA-N 1 3 320.477 2.849 20 0 DFADHO CCOc1ccc(C2(CN[C@@H](C)C[C@H](C)[NH3+])CCOCC2)cc1 ZINC000422874541 296348349 /nfs/dbraw/zinc/34/83/49/296348349.db2.gz AIJHRXYXVIVHST-HOTGVXAUSA-N 1 3 320.477 2.849 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422873665 296348353 /nfs/dbraw/zinc/34/83/53/296348353.db2.gz AYVJZERBFSYILO-XQQFMLRXSA-N 1 3 304.438 2.747 20 0 DFADHO CC[C@H](N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422879654 296349374 /nfs/dbraw/zinc/34/93/74/296349374.db2.gz VVJPCLYEIAVLRK-YSHGAJCASA-N 1 3 301.478 2.770 20 0 DFADHO Cc1ccccc1C1(CN[C@H](C)[C@@H]2CC[NH2+]C2)CCOCC1 ZINC000422883343 296350021 /nfs/dbraw/zinc/35/00/21/296350021.db2.gz UULKZCDPWLLFGP-IAGOWNOFSA-N 1 3 302.462 2.631 20 0 DFADHO c1cnn(-c2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)c1 ZINC000422882907 296350025 /nfs/dbraw/zinc/35/00/25/296350025.db2.gz POHPHTUGCQHPRD-GUDVDZBRSA-N 1 3 310.445 2.883 20 0 DFADHO COc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1Br ZINC000422886071 296350561 /nfs/dbraw/zinc/35/05/61/296350561.db2.gz ZZKVJXKPEXNGHN-VHSXEESVSA-N 1 3 301.228 2.673 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)N2CCCC2)o1 ZINC000422881155 296349793 /nfs/dbraw/zinc/34/97/93/296349793.db2.gz PQAPLZVNNJJCHR-OIISXLGYSA-N 1 3 305.466 2.703 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(N2CCCCCC2)nc1 ZINC000422888207 296350995 /nfs/dbraw/zinc/35/09/95/296350995.db2.gz CCWLAKLLQNCIDW-DLBZAZTESA-N 1 3 302.466 2.679 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(Sc2ccccc2)CC1 ZINC000422902494 296353292 /nfs/dbraw/zinc/35/32/92/296353292.db2.gz DKFFYECFEMCGMP-NUEKZKHPSA-N 1 3 306.475 2.653 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422902494 296353293 /nfs/dbraw/zinc/35/32/93/296353293.db2.gz DKFFYECFEMCGMP-NUEKZKHPSA-N 1 3 306.475 2.653 20 0 DFADHO CC1CCN(c2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cn2)CC1 ZINC000422892560 296351960 /nfs/dbraw/zinc/35/19/60/296351960.db2.gz NIHPDACBXHLGSF-QZTJIDSGSA-N 1 3 316.493 2.925 20 0 DFADHO C[C@@H](NC[C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422902670 296353529 /nfs/dbraw/zinc/35/35/29/296353529.db2.gz UXUMDLNGNJFPSF-IIDMSEBBSA-N 1 3 305.441 2.772 20 0 DFADHO CCCCOc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)cc1 ZINC000422904040 296353906 /nfs/dbraw/zinc/35/39/06/296353906.db2.gz WTBUYUGYAMUVQC-ZYSHUDEJSA-N 1 3 320.477 2.750 20 0 DFADHO CCCCOc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422904040 296353907 /nfs/dbraw/zinc/35/39/07/296353907.db2.gz WTBUYUGYAMUVQC-ZYSHUDEJSA-N 1 3 320.477 2.750 20 0 DFADHO C[C@@H](NCCc1nc2ccccc2n1C(F)F)[C@@H]1CC[NH2+]C1 ZINC000422910026 296354663 /nfs/dbraw/zinc/35/46/63/296354663.db2.gz HGJXHXQEKPAYOR-VXGBXAGGSA-N 1 3 308.376 2.562 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1F ZINC000422904877 296353656 /nfs/dbraw/zinc/35/36/56/296353656.db2.gz QYDHZMKXGKHXGP-GUYCJALGSA-N 1 3 316.424 2.798 20 0 DFADHO CCc1nc(CN2CCC(C[NH2+][C@H](C)C[C@H](C)N)CC2)cs1 ZINC000422913839 296355243 /nfs/dbraw/zinc/35/52/43/296355243.db2.gz QWFYKMOLECUIHZ-UONOGXRCSA-N 1 3 324.538 2.633 20 0 DFADHO CCc1nc(CN2CCC(C[NH2+][C@H](C)C[C@@H](C)N)CC2)cs1 ZINC000422913840 296355375 /nfs/dbraw/zinc/35/53/75/296355375.db2.gz QWFYKMOLECUIHZ-ZIAGYGMSSA-N 1 3 324.538 2.633 20 0 DFADHO C[C@H](O)CC(C)(C)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422919438 296355721 /nfs/dbraw/zinc/35/57/21/296355721.db2.gz JYINRFWRXWIXHN-URLQWDBASA-N 1 3 318.461 2.629 20 0 DFADHO CCN1CCN(c2ccccc2NC2CCC([NH3+])CC2)CC1 ZINC000422922354 296356131 /nfs/dbraw/zinc/35/61/31/296356131.db2.gz QBTIRSQUPISNHI-UHFFFAOYSA-N 1 3 302.466 2.510 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422910854 296354860 /nfs/dbraw/zinc/35/48/60/296354860.db2.gz RPWXUGRYWZDVND-IHRRRGAJSA-N 1 3 311.420 2.645 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422910854 296354861 /nfs/dbraw/zinc/35/48/61/296354861.db2.gz RPWXUGRYWZDVND-IHRRRGAJSA-N 1 3 311.420 2.645 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]1NCCc1ccc(F)c(Br)c1 ZINC000422931304 296356935 /nfs/dbraw/zinc/35/69/35/296356935.db2.gz BMAUVIKAEWIBAL-CHWSQXEVSA-N 1 3 301.203 2.600 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCCOc1cccc(Br)c1 ZINC000422942997 296358584 /nfs/dbraw/zinc/35/85/84/296358584.db2.gz LCJPEEMREQYPJI-BXUZGUMPSA-N 1 3 313.239 2.545 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1csc2ccccc12 ZINC000422943331 296358684 /nfs/dbraw/zinc/35/86/84/296358684.db2.gz YBTHRMAKCYSAQB-RCBQFDQVSA-N 1 3 304.459 2.786 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000422943331 296358686 /nfs/dbraw/zinc/35/86/86/296358686.db2.gz YBTHRMAKCYSAQB-RCBQFDQVSA-N 1 3 304.459 2.786 20 0 DFADHO Clc1ccc(C2(C[NH2+]C3CCNCC3)CCOCC2)cc1 ZINC000422935804 296357614 /nfs/dbraw/zinc/35/76/14/296357614.db2.gz DTHVNDUGTPEJAJ-UHFFFAOYSA-N 1 3 308.853 2.730 20 0 DFADHO Clc1ccc(C2(CNC3CC[NH2+]CC3)CCOCC2)cc1 ZINC000422935804 296357616 /nfs/dbraw/zinc/35/76/16/296357616.db2.gz DTHVNDUGTPEJAJ-UHFFFAOYSA-N 1 3 308.853 2.730 20 0 DFADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CCCCO1 ZINC000624012215 399523100 /nfs/dbraw/zinc/52/31/00/399523100.db2.gz UMFYCNXCQVBJAF-QFBILLFUSA-N 1 3 317.477 2.841 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422956961 296360722 /nfs/dbraw/zinc/36/07/22/296360722.db2.gz RSNZYPAAUPDNJY-HUUCEWRRSA-N 1 3 316.474 2.855 20 0 DFADHO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000422953338 296360387 /nfs/dbraw/zinc/36/03/87/296360387.db2.gz FHJLFCLLXNCMRV-VDHUWJSZSA-N 1 3 304.482 2.728 20 0 DFADHO CC[C@@H](NCCCN(C(=O)C1CCC1)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000422954192 296360506 /nfs/dbraw/zinc/36/05/06/296360506.db2.gz HFODINYLCUMVEG-QZTJIDSGSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000422956241 296360591 /nfs/dbraw/zinc/36/05/91/296360591.db2.gz OVHVXRLDYBLMSP-WBVHZDCISA-N 1 3 313.445 2.981 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCCOc1cccc2cccnc21 ZINC000422956241 296360593 /nfs/dbraw/zinc/36/05/93/296360593.db2.gz OVHVXRLDYBLMSP-WBVHZDCISA-N 1 3 313.445 2.981 20 0 DFADHO c1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422962999 296361576 /nfs/dbraw/zinc/36/15/76/296361576.db2.gz DYMZFOOMRASONM-IEWDOMPSSA-N 1 3 300.446 2.679 20 0 DFADHO CCC(CC)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)N)N(C)C ZINC000422962706 296361618 /nfs/dbraw/zinc/36/16/18/296361618.db2.gz GMUXUJFQKSHAKT-IPELMVKDSA-N 1 3 305.510 2.901 20 0 DFADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)[C@@H]2CCCCN2)CC1 ZINC000422970724 296363158 /nfs/dbraw/zinc/36/31/58/296363158.db2.gz WTTRWQPFFIZOHE-FCEWJHQRSA-N 1 3 316.493 2.727 20 0 DFADHO C[C@H](c1ccncc1)N1CCC(N[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422970724 296363160 /nfs/dbraw/zinc/36/31/60/296363160.db2.gz WTTRWQPFFIZOHE-FCEWJHQRSA-N 1 3 316.493 2.727 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)[C@H](O)Cc1ccccc1 ZINC000422996700 296365176 /nfs/dbraw/zinc/36/51/76/296365176.db2.gz MVTAKJORLJHNPC-KCITZHQASA-N 1 3 304.478 2.879 20 0 DFADHO COc1ccc(COCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422990809 296364551 /nfs/dbraw/zinc/36/45/51/296364551.db2.gz ODSHWTDTTNFYRI-QRVBRYPASA-N 1 3 318.461 2.722 20 0 DFADHO c1ccc(CC2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422993824 296364980 /nfs/dbraw/zinc/36/49/80/296364980.db2.gz GKGOXIBGHIPXEJ-IPMKNSEASA-N 1 3 314.473 2.756 20 0 DFADHO COCCCOc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2N)c1 ZINC000423000694 296365810 /nfs/dbraw/zinc/36/58/10/296365810.db2.gz HEEGOWNBAPYADQ-QZTJIDSGSA-N 1 3 306.450 2.852 20 0 DFADHO CC[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000347611581 285092263 /nfs/dbraw/zinc/09/22/63/285092263.db2.gz MIFJDIJEXJWISW-HNNXBMFYSA-N 1 3 321.490 2.532 20 0 DFADHO CC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCO1 ZINC000423011235 296367483 /nfs/dbraw/zinc/36/74/83/296367483.db2.gz IIFWWSPWJAHWPZ-NBMJBFSESA-N 1 3 316.445 2.790 20 0 DFADHO CC[C@H]([NH2+][C@@H]1COc2cc(OC)ccc2C1)[C@@H]1CCCCN1 ZINC000423021364 296368895 /nfs/dbraw/zinc/36/88/95/296368895.db2.gz FBBYWQYJTPWZPH-XIRDDKMYSA-N 1 3 304.434 2.509 20 0 DFADHO COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423034911 296370121 /nfs/dbraw/zinc/37/01/21/296370121.db2.gz QQVVPTGDKNSVJI-ZFWWWQNUSA-N 1 3 317.433 2.740 20 0 DFADHO Fc1ccc([C@H]2C[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000423033791 296370375 /nfs/dbraw/zinc/37/03/75/296370375.db2.gz GYBDAXBBFZDBCF-YUGHNKOSSA-N 1 3 304.409 2.918 20 0 DFADHO COCC[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000423028567 296369651 /nfs/dbraw/zinc/36/96/51/296369651.db2.gz GSEDGPRVBQPQPB-JEBQAFNWSA-N 1 3 300.402 2.962 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423048173 296371521 /nfs/dbraw/zinc/37/15/21/296371521.db2.gz HSTAIUBEOFGQJE-GUYCJALGSA-N 1 3 303.425 2.838 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423047838 296371546 /nfs/dbraw/zinc/37/15/46/296371546.db2.gz HGJWQSDRVYSADN-QEORTHHSSA-N 1 3 312.404 2.629 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423048172 296371692 /nfs/dbraw/zinc/37/16/92/296371692.db2.gz HSTAIUBEOFGQJE-DYVFJYSZSA-N 1 3 303.425 2.838 20 0 DFADHO CCO[C@@H]1C[C@H](N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)C12CCOCC2 ZINC000423054377 296372665 /nfs/dbraw/zinc/37/26/65/296372665.db2.gz UQTLDASKTPNQDL-XLAORIBOSA-N 1 3 324.509 2.861 20 0 DFADHO C[C@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1Cc1ccccc1 ZINC000423066406 296374257 /nfs/dbraw/zinc/37/42/57/296374257.db2.gz WVTQWZIAIDECQV-JIRNRHONSA-N 1 3 313.489 2.914 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](c1ccccc1)C(F)(F)F ZINC000423066596 296374278 /nfs/dbraw/zinc/37/42/78/296374278.db2.gz XJIGQQVCDZUHEY-MXAVVETBSA-N 1 3 316.367 2.674 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423066780 296374039 /nfs/dbraw/zinc/37/40/39/296374039.db2.gz XVTSTXHPCCICIM-YNEHKIRRSA-N 1 3 315.383 3.000 20 0 DFADHO C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCCCN1C1CC1 ZINC000423075249 296375226 /nfs/dbraw/zinc/37/52/26/296375226.db2.gz OCNHKTWDAPMVQM-HCXYKTFWSA-N 1 3 305.510 2.904 20 0 DFADHO CO[C@H](CCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C(F)(F)F ZINC000423067100 296374655 /nfs/dbraw/zinc/37/46/55/296374655.db2.gz GIAFYROSOGJWNX-KWCYVHTRSA-N 1 3 304.356 2.502 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000423084525 296376250 /nfs/dbraw/zinc/37/62/50/296376250.db2.gz IFQXEHGVODQMHC-RYQLBKOJSA-N 1 3 303.494 2.655 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1N(C)CCCC1(C)C ZINC000423084525 296376251 /nfs/dbraw/zinc/37/62/51/296376251.db2.gz IFQXEHGVODQMHC-RYQLBKOJSA-N 1 3 303.494 2.655 20 0 DFADHO C[C@H](O)[C@](C)(C[NH2+][C@H]1CCCC[C@@H]1CN)Cc1ccccc1 ZINC000423078501 296375852 /nfs/dbraw/zinc/37/58/52/296375852.db2.gz OQTOTMFXLZTEHP-NQYYFHDYSA-N 1 3 304.478 2.723 20 0 DFADHO C[C@H](NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000423080347 296376013 /nfs/dbraw/zinc/37/60/13/296376013.db2.gz ABWXKBHENHXOOD-VYESFELBSA-N 1 3 319.415 2.522 20 0 DFADHO C[C@H](O)[C@@](C)(CN[C@H]1CC[NH2+]CC[C@H]1C)Cc1ccccc1 ZINC000423080465 296376016 /nfs/dbraw/zinc/37/60/16/296376016.db2.gz SOXDXFKZRPQZGX-KCITZHQASA-N 1 3 304.478 2.594 20 0 DFADHO C[C@H](O)[C@@](C)(C[NH2+][C@H]1CCNCC[C@H]1C)Cc1ccccc1 ZINC000423080465 296376017 /nfs/dbraw/zinc/37/60/17/296376017.db2.gz SOXDXFKZRPQZGX-KCITZHQASA-N 1 3 304.478 2.594 20 0 DFADHO CSC1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423088902 296377218 /nfs/dbraw/zinc/37/72/18/296377218.db2.gz RFIFBKYUUZGZIG-HOCLYGCPSA-N 1 3 304.459 2.728 20 0 DFADHO C[C@H](CCCC[NH3+])NCc1ccncc1OCC(F)(F)F ZINC000423098396 296377882 /nfs/dbraw/zinc/37/78/82/296377882.db2.gz KUPYYRLYXXPJNI-LLVKDONJSA-N 1 3 305.344 2.630 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000423097272 296377919 /nfs/dbraw/zinc/37/79/19/296377919.db2.gz QPCXPKFERQIBFY-BDXSIMOUSA-N 1 3 321.509 2.678 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](CO)CC1CCCC1 ZINC000423099816 296378279 /nfs/dbraw/zinc/37/82/79/296378279.db2.gz MLZPFIHVOHOVIH-XJKSGUPXSA-N 1 3 305.466 2.688 20 0 DFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000616996511 399558637 /nfs/dbraw/zinc/55/86/37/399558637.db2.gz JQLYCVIMXQIBOK-INIZCTEOSA-N 1 3 317.477 2.598 20 0 DFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000616996511 399558643 /nfs/dbraw/zinc/55/86/43/399558643.db2.gz JQLYCVIMXQIBOK-INIZCTEOSA-N 1 3 317.477 2.598 20 0 DFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000616996512 399559354 /nfs/dbraw/zinc/55/93/54/399559354.db2.gz JQLYCVIMXQIBOK-MRXNPFEDSA-N 1 3 317.477 2.598 20 0 DFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000616996512 399559358 /nfs/dbraw/zinc/55/93/58/399559358.db2.gz JQLYCVIMXQIBOK-MRXNPFEDSA-N 1 3 317.477 2.598 20 0 DFADHO CCCN(C)[C@@H](CN[C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423111774 296379642 /nfs/dbraw/zinc/37/96/42/296379642.db2.gz WNNZFXHTOBZMNC-DYVFJYSZSA-N 1 3 309.885 2.920 20 0 DFADHO OC[C@]1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423129375 296381974 /nfs/dbraw/zinc/38/19/74/296381974.db2.gz WYYAUDIHTVZFLX-LCWAXJCOSA-N 1 3 314.473 2.663 20 0 DFADHO Cc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C2 ZINC000423133765 296382543 /nfs/dbraw/zinc/38/25/43/296382543.db2.gz CWBZVNYWKRNTLB-PBHICJAKSA-N 1 3 311.429 2.811 20 0 DFADHO CC(C)c1nnc(CC[NH2+][C@@H]2C[C@H](N)c3ccccc32)s1 ZINC000423137405 296383171 /nfs/dbraw/zinc/38/31/71/296383171.db2.gz WLKVQLKAZDRPKQ-UONOGXRCSA-N 1 3 302.447 2.938 20 0 DFADHO C=Cc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423131563 296382376 /nfs/dbraw/zinc/38/23/76/296382376.db2.gz APJYTXHXXFHCIV-GUDVDZBRSA-N 1 3 300.446 2.619 20 0 DFADHO CSc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)N(C)C)cc1 ZINC000423142923 296384158 /nfs/dbraw/zinc/38/41/58/296384158.db2.gz BQMWPMPDLUZPKV-QGTPRVQTSA-N 1 3 321.534 2.989 20 0 DFADHO CCCOc1c(OC)cc(CCN[C@@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000423146361 296384706 /nfs/dbraw/zinc/38/47/06/296384706.db2.gz AIJCWHHBPVJOBE-LSDHHAIUSA-N 1 3 322.449 2.505 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000423152476 296385574 /nfs/dbraw/zinc/38/55/74/296385574.db2.gz FGFPGYCVHUYJFX-IAQYHMDHSA-N 1 3 300.805 2.836 20 0 DFADHO c1ccc2c(c1)CC[C@@H]2CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423150002 296385604 /nfs/dbraw/zinc/38/56/04/296385604.db2.gz YJVBXCKXVCRYFR-GSEOLPGOSA-N 1 3 314.473 2.853 20 0 DFADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1cccc(F)c1 ZINC000423149102 296385305 /nfs/dbraw/zinc/38/53/05/296385305.db2.gz WZMXXDFMVGMENS-ZSYWTGECSA-N 1 3 320.452 2.630 20 0 DFADHO CO[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)Cc1ccccc1 ZINC000423157024 296386210 /nfs/dbraw/zinc/38/62/10/296386210.db2.gz MEZOUAHLFJKKDC-KSSFIOAISA-N 1 3 313.445 2.757 20 0 DFADHO C[C@H]1CN(CC2CC[NH+](CC3CCC(=O)CC3)CC2)C[C@H](C)O1 ZINC000347744740 285156152 /nfs/dbraw/zinc/15/61/52/285156152.db2.gz HSUJEKCUTVKYFL-HOTGVXAUSA-N 1 3 322.493 2.567 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000423158778 296386511 /nfs/dbraw/zinc/38/65/11/296386511.db2.gz DFWAUZIPIYTIIA-ZDUSSCGKSA-N 1 3 305.466 2.831 20 0 DFADHO CC(C)O[C@H]1C[C@@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423165431 296387346 /nfs/dbraw/zinc/38/73/46/296387346.db2.gz PZUNVBXIZKVWFU-LORHWOILSA-N 1 3 316.445 2.788 20 0 DFADHO COc1cccc2c1C[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C2 ZINC000423166796 296387433 /nfs/dbraw/zinc/38/74/33/296387433.db2.gz DHEHONSEBMXAHJ-CZUORRHYSA-N 1 3 311.429 2.675 20 0 DFADHO C[C@@H](NCC1([NH3+])CCCCC1)c1cccc(OCCN(C)C)c1 ZINC000423180059 296388883 /nfs/dbraw/zinc/38/88/83/296388883.db2.gz NIYXOBFZCCRBNU-MRXNPFEDSA-N 1 3 319.493 2.939 20 0 DFADHO CCN(C#N)CCN1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000602797008 399578284 /nfs/dbraw/zinc/57/82/84/399578284.db2.gz GZIRLHTVJWVGOM-UHFFFAOYSA-N 1 3 306.498 2.623 20 0 DFADHO CCN(C#N)CCN1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000602797008 399578287 /nfs/dbraw/zinc/57/82/87/399578287.db2.gz GZIRLHTVJWVGOM-UHFFFAOYSA-N 1 3 306.498 2.623 20 0 DFADHO C[C@H](NCCN1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1 ZINC000423199254 296391568 /nfs/dbraw/zinc/39/15/68/296391568.db2.gz BBGGKMRIWJKCEA-NSHDSACASA-N 1 3 302.249 2.549 20 0 DFADHO C[C@H](NCCN1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000423207162 296392639 /nfs/dbraw/zinc/39/26/39/296392639.db2.gz RHXBHCAUQAEYOE-NSHDSACASA-N 1 3 302.249 2.549 20 0 DFADHO CC1(C)[C@H]([NH2+]C[C@H]2CCCNC2)C[C@H]1OCc1ccccc1 ZINC000423213195 296393120 /nfs/dbraw/zinc/39/31/20/296393120.db2.gz MXVBJYCEHMEGOT-RCCFBDPRSA-N 1 3 302.462 2.960 20 0 DFADHO CC1(C)[C@H](NC[C@H]2CCC[NH2+]C2)C[C@H]1OCc1ccccc1 ZINC000423213195 296393121 /nfs/dbraw/zinc/39/31/21/296393121.db2.gz MXVBJYCEHMEGOT-RCCFBDPRSA-N 1 3 302.462 2.960 20 0 DFADHO Brc1cccc2c1C[C@H]([NH2+]C[C@H]1CCCNC1)CC2 ZINC000423215042 296393330 /nfs/dbraw/zinc/39/33/30/296393330.db2.gz QBECDALQNMFRRL-GXTWGEPZSA-N 1 3 323.278 2.896 20 0 DFADHO Brc1cccc2c1C[C@H](NC[C@H]1CCC[NH2+]C1)CC2 ZINC000423215042 296393331 /nfs/dbraw/zinc/39/33/31/296393331.db2.gz QBECDALQNMFRRL-GXTWGEPZSA-N 1 3 323.278 2.896 20 0 DFADHO Brc1cccc2c1C[C@@H]([NH2+]C[C@H]1CCCNC1)CC2 ZINC000423215043 296393435 /nfs/dbraw/zinc/39/34/35/296393435.db2.gz QBECDALQNMFRRL-JSGCOSHPSA-N 1 3 323.278 2.896 20 0 DFADHO Brc1cccc2c1C[C@@H](NC[C@H]1CCC[NH2+]C1)CC2 ZINC000423215043 296393436 /nfs/dbraw/zinc/39/34/36/296393436.db2.gz QBECDALQNMFRRL-JSGCOSHPSA-N 1 3 323.278 2.896 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000423222003 296393917 /nfs/dbraw/zinc/39/39/17/296393917.db2.gz ZBNFZLZVTDKFCH-YXJHDRRASA-N 1 3 308.441 2.751 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423222003 296393918 /nfs/dbraw/zinc/39/39/18/296393918.db2.gz ZBNFZLZVTDKFCH-YXJHDRRASA-N 1 3 308.441 2.751 20 0 DFADHO C[C@H]([NH3+])CCN[C@@H](C)Cc1ccc(F)cc1Br ZINC000423227144 296394598 /nfs/dbraw/zinc/39/45/98/296394598.db2.gz UPUBYHAZWUMZDK-UWVGGRQHSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@H](N)CC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423227144 296394599 /nfs/dbraw/zinc/39/45/99/296394599.db2.gz UPUBYHAZWUMZDK-UWVGGRQHSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000156943091 197151935 /nfs/dbraw/zinc/15/19/35/197151935.db2.gz HDVCFTCWGBJLKN-YCPHGPKFSA-N 1 3 317.433 2.777 20 0 DFADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000156943091 197151937 /nfs/dbraw/zinc/15/19/37/197151937.db2.gz HDVCFTCWGBJLKN-YCPHGPKFSA-N 1 3 317.433 2.777 20 0 DFADHO CCCCCOc1ccc(C[NH2+]CC2(N)CCOCC2)cc1 ZINC000629388695 399590952 /nfs/dbraw/zinc/59/09/52/399590952.db2.gz VYSXDECSAKALEK-UHFFFAOYSA-N 1 3 306.450 2.853 20 0 DFADHO COCCOc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423263554 296398147 /nfs/dbraw/zinc/39/81/47/296398147.db2.gz BAHCYHQDEVTVCZ-QILLFSRXSA-N 1 3 306.450 2.880 20 0 DFADHO C[C@@H](CCc1ccc(Cl)s1)NCC1([NH3+])CCOCC1 ZINC000629388093 399591830 /nfs/dbraw/zinc/59/18/30/399591830.db2.gz MTVMRJUEZCQHIZ-NSHDSACASA-N 1 3 302.871 2.820 20 0 DFADHO [NH3+]CCCOCCNCc1cccc(Oc2ccccc2)c1 ZINC000629397616 399593378 /nfs/dbraw/zinc/59/33/78/399593378.db2.gz APHKHFGBPPMJDZ-UHFFFAOYSA-N 1 3 300.402 2.934 20 0 DFADHO CC1(C)CC(NCc2cn([C@H]3CC[NH2+]C3)nn2)CC(C)(C)C1 ZINC000629401805 399593545 /nfs/dbraw/zinc/59/35/45/399593545.db2.gz FVNIOZKEJGSKGO-HNNXBMFYSA-N 1 3 305.470 2.507 20 0 DFADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1ncc(Br)s1 ZINC000423260957 296397980 /nfs/dbraw/zinc/39/79/80/296397980.db2.gz QYUXHJPWRQRGGL-NXEZZACHSA-N 1 3 318.284 2.946 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])c2ccccc21 ZINC000423271793 296399174 /nfs/dbraw/zinc/39/91/74/296399174.db2.gz JJIPLMOOCODLDG-ZSGPHXLJSA-N 1 3 316.445 2.885 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CN)c2ccccc21 ZINC000423271793 296399176 /nfs/dbraw/zinc/39/91/76/296399176.db2.gz JJIPLMOOCODLDG-ZSGPHXLJSA-N 1 3 316.445 2.885 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@@H]2CN)c(C)c1OC ZINC000423271332 296399267 /nfs/dbraw/zinc/39/92/67/296399267.db2.gz IYJVGDOCFAJAMA-MAZHCROVSA-N 1 3 306.450 2.660 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000423271480 296399301 /nfs/dbraw/zinc/39/93/01/296399301.db2.gz HPGGZLIYVFCPHN-LUKYLMHMSA-N 1 3 310.482 2.996 20 0 DFADHO C[C@@H](CNCc1cn([C@@H]2CC[NH2+]C2)nn1)CC1CCCCC1 ZINC000629407026 399595488 /nfs/dbraw/zinc/59/54/88/399595488.db2.gz VRUNFNQSJWPARF-RHSMWYFYSA-N 1 3 305.470 2.509 20 0 DFADHO CC(C)(C)C1CCC(CNCc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000629405346 399595571 /nfs/dbraw/zinc/59/55/71/399595571.db2.gz JATHSWWDIODDJY-VMBOVVBDSA-N 1 3 319.497 2.755 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(OCCN(C)C)c1 ZINC000156404378 197109961 /nfs/dbraw/zinc/10/99/61/197109961.db2.gz VKMUMGVWDVCUGZ-QAPCUYQASA-N 1 3 306.450 2.847 20 0 DFADHO C[C@@H](C[NH3+])CN[C@@H]1CCc2c1ccc(F)c2Br ZINC000423308129 296402695 /nfs/dbraw/zinc/40/26/95/296402695.db2.gz NXUCKNOLPJNNIN-QPUJVOFHSA-N 1 3 301.203 2.760 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000423307600 296402634 /nfs/dbraw/zinc/40/26/34/296402634.db2.gz HJCFYTDWKXANGN-RDTXWAMCSA-N 1 3 311.429 2.739 20 0 DFADHO C[C@H](CC[NH2+][C@H](C)c1cnn(C)c1)N(C)Cc1ccccc1 ZINC000156210491 197095182 /nfs/dbraw/zinc/09/51/82/197095182.db2.gz HRMFRTPEYOFNQD-HZPDHXFCSA-N 1 3 300.450 2.981 20 0 DFADHO Cn1cc([C@H](NCC2(C)CC[NH2+]CC2)c2cccc(F)c2)cn1 ZINC000423319781 296404128 /nfs/dbraw/zinc/40/41/28/296404128.db2.gz DXJYDAFMNXBKCI-QGZVFWFLSA-N 1 3 316.424 2.628 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2C[C@@H](C)CCN2)c1 ZINC000423327931 296404901 /nfs/dbraw/zinc/40/49/01/296404901.db2.gz NJAWNRKCFMBGDB-YJBOKZPZSA-N 1 3 317.477 2.533 20 0 DFADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(F)cc1OC(F)F ZINC000423331094 296405184 /nfs/dbraw/zinc/40/51/84/296405184.db2.gz CGOQJZYAUMTHSZ-JTQLQIEISA-N 1 3 300.324 2.997 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423349806 296407504 /nfs/dbraw/zinc/40/75/04/296407504.db2.gz XNUPUZLZKLNDLC-AWEZNQCLSA-N 1 3 316.449 2.787 20 0 DFADHO COc1cccc(C[C@@H]([NH2+]C[C@@]2(C)CCCNC2)C2CC2)c1 ZINC000423347488 296407006 /nfs/dbraw/zinc/40/70/06/296407006.db2.gz RJWIJLFKGLERKV-MOPGFXCFSA-N 1 3 302.462 2.996 20 0 DFADHO C[C@@H]1CCN[C@@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000423354368 296407946 /nfs/dbraw/zinc/40/79/46/296407946.db2.gz NKHRMXDRKBOIJU-CRAIPNDOSA-N 1 3 315.461 2.652 20 0 DFADHO COc1cccc2c1CC[C@H]([NH2+]Cc1ccc3c(c1)CNC3)C2 ZINC000423369554 296409431 /nfs/dbraw/zinc/40/94/31/296409431.db2.gz FCOINKCXTXELBX-SFHVURJKSA-N 1 3 308.425 2.946 20 0 DFADHO OC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000367997819 285239634 /nfs/dbraw/zinc/23/96/34/285239634.db2.gz GLLMHZUEEBKOLF-IPMKNSEASA-N 1 3 314.473 2.792 20 0 DFADHO OC1CC[NH+](CCCN[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000178522612 285245457 /nfs/dbraw/zinc/24/54/57/285245457.db2.gz GQFZSYWFPALQQY-KRWDZBQOSA-N 1 3 308.853 2.764 20 0 DFADHO COC(=O)c1cc(CN2CCC3(C2)CC[NH+](C)CC3)c(C)s1 ZINC000602878519 399612275 /nfs/dbraw/zinc/61/22/75/399612275.db2.gz XXKKRBDODOGGFW-UHFFFAOYSA-N 1 3 322.474 2.761 20 0 DFADHO COc1ccc(OC)c([C@@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000423435549 296416518 /nfs/dbraw/zinc/41/65/18/296416518.db2.gz LCXHPHUREFNYOJ-OAUYIBNBSA-N 1 3 304.434 2.743 20 0 DFADHO Cc1cc(C)n(CCN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000347935601 285256300 /nfs/dbraw/zinc/25/63/00/285256300.db2.gz PZCVSDICIFBNAV-SJORKVTESA-N 1 3 304.482 2.743 20 0 DFADHO Cc1cc(C)n(CCN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000347935601 285256301 /nfs/dbraw/zinc/25/63/01/285256301.db2.gz PZCVSDICIFBNAV-SJORKVTESA-N 1 3 304.482 2.743 20 0 DFADHO Cc1cc(C)n(CC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)n1 ZINC000347935601 285256302 /nfs/dbraw/zinc/25/63/02/285256302.db2.gz PZCVSDICIFBNAV-SJORKVTESA-N 1 3 304.482 2.743 20 0 DFADHO CCc1oc(C(=O)OC)cc1CN1CCC2(C1)CC[NH+](C)CC2 ZINC000602878811 399613988 /nfs/dbraw/zinc/61/39/88/399613988.db2.gz YTXUIWISHNVXDF-UHFFFAOYSA-N 1 3 320.433 2.546 20 0 DFADHO C[C@H]1COCC[C@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423470631 296419097 /nfs/dbraw/zinc/41/90/97/296419097.db2.gz LNHLIMFUCIVFLR-OXXUSNJHSA-N 1 3 306.425 2.533 20 0 DFADHO C[C@H](NCCC(=O)N1CCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934557 285255204 /nfs/dbraw/zinc/25/52/04/285255204.db2.gz OYBWJHCPOCUKIY-IXDOHACOSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](NCCC(=O)N1CCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934557 285255205 /nfs/dbraw/zinc/25/52/05/285255205.db2.gz OYBWJHCPOCUKIY-IXDOHACOSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H]([NH2+]CCC(=O)N1CCC[C@H]1C)[C@@H]1CCCN(C2CCC2)C1 ZINC000347934557 285255209 /nfs/dbraw/zinc/25/52/09/285255209.db2.gz OYBWJHCPOCUKIY-IXDOHACOSA-N 1 3 321.509 2.630 20 0 DFADHO Cc1noc(CCC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)n1 ZINC000347943313 285261328 /nfs/dbraw/zinc/26/13/28/285261328.db2.gz WQLQFPIDOXRAOI-DZGCQCFKSA-N 1 3 306.454 2.553 20 0 DFADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCNC2CC2)cc1OC ZINC000423542434 296428203 /nfs/dbraw/zinc/42/82/03/296428203.db2.gz BAERVWJUHASBNE-KBPBESRZSA-N 1 3 306.450 2.928 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc[nH]c1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000624259648 399619011 /nfs/dbraw/zinc/61/90/11/399619011.db2.gz SDAXIEUHMNEYIQ-QAPCUYQASA-N 1 3 311.429 2.787 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(F)c(CN(C)C)c1 ZINC000120898112 195260918 /nfs/dbraw/zinc/26/09/18/195260918.db2.gz JBSALKWBDHBDMB-LBTNJELSSA-N 1 3 307.457 2.706 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(F)c(CN(C)C)c1 ZINC000120898112 195260919 /nfs/dbraw/zinc/26/09/19/195260919.db2.gz JBSALKWBDHBDMB-LBTNJELSSA-N 1 3 307.457 2.706 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000120898112 195260921 /nfs/dbraw/zinc/26/09/21/195260921.db2.gz JBSALKWBDHBDMB-LBTNJELSSA-N 1 3 307.457 2.706 20 0 DFADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000629512470 399629419 /nfs/dbraw/zinc/62/94/19/399629419.db2.gz AMJRPVGJSLCKIU-LFDJNIOPSA-N 1 3 314.473 2.925 20 0 DFADHO c1ccc2c(c1)CO[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000629513044 399630873 /nfs/dbraw/zinc/63/08/73/399630873.db2.gz JZLGXKBHTACRGO-CADBVGFASA-N 1 3 300.446 2.638 20 0 DFADHO Cc1cccc2c1C[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CO2 ZINC000629515259 399632097 /nfs/dbraw/zinc/63/20/97/399632097.db2.gz RERLMUXGFHLICM-BURFUSLBSA-N 1 3 300.446 2.809 20 0 DFADHO Cc1cnccc1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000294882939 224284078 /nfs/dbraw/zinc/28/40/78/224284078.db2.gz QXDVPGMDNDFNQI-CALCHBBNSA-N 1 3 317.477 2.711 20 0 DFADHO Cc1cnccc1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000294882939 224284081 /nfs/dbraw/zinc/28/40/81/224284081.db2.gz QXDVPGMDNDFNQI-CALCHBBNSA-N 1 3 317.477 2.711 20 0 DFADHO Cc1cccc2c1C[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CO2 ZINC000629515261 399631392 /nfs/dbraw/zinc/63/13/92/399631392.db2.gz RERLMUXGFHLICM-CIRFHOKZSA-N 1 3 300.446 2.809 20 0 DFADHO CC[C@H](NCCOCC[NH2+]C)c1cccc(Br)c1 ZINC000629528737 399636826 /nfs/dbraw/zinc/63/68/26/399636826.db2.gz ICENSQKZRRRJPN-AWEZNQCLSA-N 1 3 315.255 2.726 20 0 DFADHO C[C@H]1C[C@@H](N(C)CCc2cn[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000289971361 221352292 /nfs/dbraw/zinc/35/22/92/221352292.db2.gz JDLZRKZQDUXMME-LPHOPBHVSA-N 1 3 312.461 2.937 20 0 DFADHO C[C@H]1C[C@@H](N(C)CCc2cn[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000289971361 221352293 /nfs/dbraw/zinc/35/22/93/221352293.db2.gz JDLZRKZQDUXMME-LPHOPBHVSA-N 1 3 312.461 2.937 20 0 DFADHO C[C@@H](NCCOCCC[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000629534612 399638885 /nfs/dbraw/zinc/63/88/85/399638885.db2.gz AZDZKIWQBBTDRX-LLVKDONJSA-N 1 3 306.328 2.601 20 0 DFADHO Cc1ccc(SC[C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000629573854 399653426 /nfs/dbraw/zinc/65/34/26/399653426.db2.gz CIFJBWMEDHEPPK-JKSUJKDBSA-N 1 3 308.491 2.522 20 0 DFADHO CN(CCOCC[NH3+])CCSc1cc(Cl)ccc1Cl ZINC000629574657 399653561 /nfs/dbraw/zinc/65/35/61/399653561.db2.gz JPXXBFDVEHMNTC-UHFFFAOYSA-N 1 3 323.289 2.993 20 0 DFADHO Cc1ccc(C2(CNC[C@@H](O)C[NH+]3CCCC3)CCC2)cc1C ZINC000629578926 399653647 /nfs/dbraw/zinc/65/36/47/399653647.db2.gz HKPBXSZXDTVOIN-LJQANCHMSA-N 1 3 316.489 2.771 20 0 DFADHO C[NH2+]CCOCCN(C)CCOc1ccc(Cl)cc1Cl ZINC000629567040 399652320 /nfs/dbraw/zinc/65/23/20/399652320.db2.gz MQFRABBDULIRIW-UHFFFAOYSA-N 1 3 321.248 2.540 20 0 DFADHO C[NH2+]CCOCCN(C)CCSc1cccc(Cl)c1 ZINC000629572481 399652441 /nfs/dbraw/zinc/65/24/41/399652441.db2.gz UNSNJQNHIKRAQB-UHFFFAOYSA-N 1 3 302.871 2.600 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000632517544 399682325 /nfs/dbraw/zinc/68/23/25/399682325.db2.gz MMPDROXXLJFHOJ-BZZMCLGOSA-N 1 3 317.477 2.524 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC[N@H+]1C ZINC000632517544 399682329 /nfs/dbraw/zinc/68/23/29/399682329.db2.gz MMPDROXXLJFHOJ-BZZMCLGOSA-N 1 3 317.477 2.524 20 0 DFADHO COc1ccccc1-c1ccc(CNCCOCCC[NH3+])cc1 ZINC000629682014 399688989 /nfs/dbraw/zinc/68/89/89/399688989.db2.gz YCVZMGJFDSXNKX-UHFFFAOYSA-N 1 3 314.429 2.817 20 0 DFADHO CN1CCN(Cc2ccccc2-c2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000629735043 399707664 /nfs/dbraw/zinc/70/76/64/399707664.db2.gz FSFRQOZNPLUULH-UHFFFAOYSA-N 1 3 321.468 2.747 20 0 DFADHO CN1CCC[C@@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000090185492 542534956 /nfs/dbraw/zinc/53/49/56/542534956.db2.gz MKQQWBVSTOPETB-RBUKOAKNSA-N 1 3 315.505 2.971 20 0 DFADHO Cc1ncc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000090405912 542535647 /nfs/dbraw/zinc/53/56/47/542535647.db2.gz CYYUKFPANFZEOF-HZSPNIEDSA-N 1 3 311.495 2.992 20 0 DFADHO CCN(Cc1ccc(OCC[NH+](C)C)cc1)C[C@@H]1CCCO1 ZINC000092406909 542546981 /nfs/dbraw/zinc/54/69/81/542546981.db2.gz ZOJWWBKMVSXZLL-SFHVURJKSA-N 1 3 306.450 2.628 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2nc3c(s2)CCC3)C[C@H](C)O1 ZINC000093066166 542551280 /nfs/dbraw/zinc/55/12/80/542551280.db2.gz COGANLHVGMXQTM-OKILXGFUSA-N 1 3 323.506 2.611 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H](C)c1ccccc1 ZINC000617503606 399719905 /nfs/dbraw/zinc/71/99/05/399719905.db2.gz QLTHIZGYTJOIIF-IRXDYDNUSA-N 1 3 319.493 2.568 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H](C)c1ccccc1 ZINC000617503606 399719907 /nfs/dbraw/zinc/71/99/07/399719907.db2.gz QLTHIZGYTJOIIF-IRXDYDNUSA-N 1 3 319.493 2.568 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CC1CCCCCC1 ZINC000617505852 399720249 /nfs/dbraw/zinc/72/02/49/399720249.db2.gz SIRPZJJDXYGOGD-INIZCTEOSA-N 1 3 311.514 2.735 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CC1CCCCCC1 ZINC000617505852 399720253 /nfs/dbraw/zinc/72/02/53/399720253.db2.gz SIRPZJJDXYGOGD-INIZCTEOSA-N 1 3 311.514 2.735 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1CCC(C2CC2)CC1 ZINC000617503393 399720585 /nfs/dbraw/zinc/72/05/85/399720585.db2.gz HHCXGLPMEBCMFK-ZLPCBKJTSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1CCC(C2CC2)CC1 ZINC000617503393 399720587 /nfs/dbraw/zinc/72/05/87/399720587.db2.gz HHCXGLPMEBCMFK-ZLPCBKJTSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1=CCC(C)(C)CC1 ZINC000617503277 399720872 /nfs/dbraw/zinc/72/08/72/399720872.db2.gz CIAATZMJLPHJKZ-HNNXBMFYSA-N 1 3 309.498 2.511 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1=CCC(C)(C)CC1 ZINC000617503277 399720875 /nfs/dbraw/zinc/72/08/75/399720875.db2.gz CIAATZMJLPHJKZ-HNNXBMFYSA-N 1 3 309.498 2.511 20 0 DFADHO CCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@H]1CCN(C)C1 ZINC000617551019 399731636 /nfs/dbraw/zinc/73/16/36/399731636.db2.gz JHTODDDJDGMYRJ-SFHVURJKSA-N 1 3 317.477 2.695 20 0 DFADHO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000348104014 285351996 /nfs/dbraw/zinc/35/19/96/285351996.db2.gz NHYRUNKAVAAACL-RBUKOAKNSA-N 1 3 301.478 2.712 20 0 DFADHO CC(C)CN(C(=O)C[C@@H](C)C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC000423764909 296444941 /nfs/dbraw/zinc/44/49/41/296444941.db2.gz UCAOJEUJBROMTF-MRXNPFEDSA-N 1 3 323.525 2.591 20 0 DFADHO CN(CCC(=O)Nc1cccc(Cl)c1)C[C@H]1CC[N@H+](C)C1 ZINC000121049927 195288004 /nfs/dbraw/zinc/28/80/04/195288004.db2.gz YCEQYTFZPATOOP-ZDUSSCGKSA-N 1 3 309.841 2.552 20 0 DFADHO CN(CCC(=O)Nc1cccc(Cl)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000121049927 195288005 /nfs/dbraw/zinc/28/80/05/195288005.db2.gz YCEQYTFZPATOOP-ZDUSSCGKSA-N 1 3 309.841 2.552 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000121095122 195292932 /nfs/dbraw/zinc/29/29/32/195292932.db2.gz GCKVTHZLLWPQHF-LPHOPBHVSA-N 1 3 302.462 2.948 20 0 DFADHO COC[C@H](CC(C)C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000358035330 285371479 /nfs/dbraw/zinc/37/14/79/285371479.db2.gz IHNZRJBXYYACKJ-ULQDDVLXSA-N 1 3 300.487 2.527 20 0 DFADHO Cc1nn(C)c2sc([C@H](C)[NH2+]CC3CCN(C)CC3)cc12 ZINC000348129437 285369062 /nfs/dbraw/zinc/36/90/62/285369062.db2.gz YUBVJJWZMVWSIV-LBPRGKRZSA-N 1 3 306.479 2.936 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@@H](C)c1ccccc1Br ZINC000234803379 285373974 /nfs/dbraw/zinc/37/39/74/285373974.db2.gz WZIWVDPYRHCEKZ-RYUDHWBXSA-N 1 3 315.255 2.854 20 0 DFADHO CCN(CCOC[C@H]1CCCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062540 399741355 /nfs/dbraw/zinc/74/13/55/399741355.db2.gz WFMXIPVTTOOBMC-LJQANCHMSA-N 1 3 320.477 2.766 20 0 DFADHO CC[N@H+](CCCc1cncn1C)Cc1ccc(CN(C)C)cc1 ZINC000626063517 399742522 /nfs/dbraw/zinc/74/25/22/399742522.db2.gz GYLYNGCGKDOPNI-UHFFFAOYSA-N 1 3 314.477 2.936 20 0 DFADHO CC[N@@H+](CCCc1cncn1C)Cc1ccc(CN(C)C)cc1 ZINC000626063517 399742527 /nfs/dbraw/zinc/74/25/27/399742527.db2.gz GYLYNGCGKDOPNI-UHFFFAOYSA-N 1 3 314.477 2.936 20 0 DFADHO C[C@@H](NCc1cn2cc(Cl)ccc2n1)C1CC[NH+](C)CC1 ZINC000131610336 542638252 /nfs/dbraw/zinc/63/82/52/542638252.db2.gz RPPLPJGKOHEWKB-GFCCVEGCSA-N 1 3 306.841 2.808 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000154502535 542689513 /nfs/dbraw/zinc/68/95/13/542689513.db2.gz BZPJVVSNJXXFLJ-LJQANCHMSA-N 1 3 319.468 2.820 20 0 DFADHO N[C@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)c1ccccc1 ZINC000424073073 296483006 /nfs/dbraw/zinc/48/30/06/296483006.db2.gz DZQVMXYIPPPDPM-ZWKOTPCHSA-N 1 3 317.477 2.881 20 0 DFADHO C[C@H]1CCN(CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000163854139 132124082 /nfs/dbraw/zinc/12/40/82/132124082.db2.gz YORMAUJECLOFEQ-STQMWFEESA-N 1 3 309.841 2.585 20 0 DFADHO CC(C)[NH2+]CCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000167541278 542753713 /nfs/dbraw/zinc/75/37/13/542753713.db2.gz LWFQCDFMOTZHNJ-FUHWJXTLSA-N 1 3 317.477 2.544 20 0 DFADHO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000180426181 542784595 /nfs/dbraw/zinc/78/45/95/542784595.db2.gz UFOWLARRHSKYIA-CRAIPNDOSA-N 1 3 312.461 2.933 20 0 DFADHO CCCC[C@H](CC)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000183636891 542801590 /nfs/dbraw/zinc/80/15/90/542801590.db2.gz DINMPQLWHIQKBM-INIZCTEOSA-N 1 3 311.514 2.593 20 0 DFADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)C[C@H]2C1 ZINC000424306490 296500645 /nfs/dbraw/zinc/50/06/45/296500645.db2.gz VMYRFYYPFAMZOF-KSCVBYKOSA-N 1 3 324.509 2.669 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CC(CC(=O)OC)C1 ZINC000424321546 296502089 /nfs/dbraw/zinc/50/20/89/296502089.db2.gz ULIXNPMVBPOUAC-XGHPGWEVSA-N 1 3 310.482 2.818 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000424418013 296508210 /nfs/dbraw/zinc/50/82/10/296508210.db2.gz AQYAFJNRBRQJRA-UHFFFAOYSA-N 1 3 318.465 2.697 20 0 DFADHO CC(C)C[C@H](C[NH3+])CC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000303144828 543048923 /nfs/dbraw/zinc/04/89/23/543048923.db2.gz ARZRQDMGYAMJET-SFHVURJKSA-N 1 3 319.493 2.588 20 0 DFADHO C[C@H](Nc1cccc(OCCN(C)C)c1)C1CC[NH+](C)CC1 ZINC000315955542 543073091 /nfs/dbraw/zinc/07/30/91/543073091.db2.gz ZCFNAXICXQRVHU-HNNXBMFYSA-N 1 3 305.466 2.769 20 0 DFADHO CC(C)CN(C(=O)CC[N@@H+]1CCCC[C@H]1C)C1CCN(C)CC1 ZINC000339272523 543142659 /nfs/dbraw/zinc/14/26/59/543142659.db2.gz DTORIVHKEZNBDP-QGZVFWFLSA-N 1 3 323.525 2.830 20 0 DFADHO CC(C)CN(C(=O)CC[N@H+]1CCCC[C@H]1C)C1CCN(C)CC1 ZINC000339272523 543142664 /nfs/dbraw/zinc/14/26/64/543142664.db2.gz DTORIVHKEZNBDP-QGZVFWFLSA-N 1 3 323.525 2.830 20 0 DFADHO COc1ccc(OCCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339074056 543139654 /nfs/dbraw/zinc/13/96/54/543139654.db2.gz IJOPBUUXKSAXEA-HOTGVXAUSA-N 1 3 304.434 2.681 20 0 DFADHO COc1ccc(OCCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339074056 543139657 /nfs/dbraw/zinc/13/96/57/543139657.db2.gz IJOPBUUXKSAXEA-HOTGVXAUSA-N 1 3 304.434 2.681 20 0 DFADHO CCN(C[C@@H]1CCCO1)[C@@H](C)CC[N@H+](CC)C[C@@H]1CCCO1 ZINC000343606515 543168073 /nfs/dbraw/zinc/16/80/73/543168073.db2.gz XLNKJEYRXOCXPH-BZSNNMDCSA-N 1 3 312.498 2.767 20 0 DFADHO CCN(C[C@@H]1CCCO1)[C@@H](C)CC[N@@H+](CC)C[C@@H]1CCCO1 ZINC000343606515 543168075 /nfs/dbraw/zinc/16/80/75/543168075.db2.gz XLNKJEYRXOCXPH-BZSNNMDCSA-N 1 3 312.498 2.767 20 0 DFADHO CCC[NH+]1CCC(N(C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000496247198 300035468 /nfs/dbraw/zinc/03/54/68/300035468.db2.gz SQGHFRLEFYLTCB-UHFFFAOYSA-N 1 3 313.486 2.707 20 0 DFADHO CCCN1CC[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000389142993 543303602 /nfs/dbraw/zinc/30/36/02/543303602.db2.gz HQLRWRDZRKOBNS-HXUWFJFHSA-N 1 3 315.505 2.767 20 0 DFADHO Cc1csc(N2CCC([NH2+]C[C@@H](C)CN3CCCC3)CC2)n1 ZINC000165280953 145229325 /nfs/dbraw/zinc/22/93/25/145229325.db2.gz DEMXGDOFQNZFCW-CQSZACIVSA-N 1 3 322.522 2.742 20 0 DFADHO C[C@@H](CC(=O)N1CCN(CCC(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000165701371 145230466 /nfs/dbraw/zinc/23/04/66/145230466.db2.gz GITDDJPZMNKAGJ-IRXDYDNUSA-N 1 3 323.525 2.593 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000167480739 145241056 /nfs/dbraw/zinc/24/10/56/145241056.db2.gz CQXJHWSMZOMVMV-WBOJAVRRSA-N 1 3 323.431 2.862 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000167480739 145241060 /nfs/dbraw/zinc/24/10/60/145241060.db2.gz CQXJHWSMZOMVMV-WBOJAVRRSA-N 1 3 323.431 2.862 20 0 DFADHO OC1(C[NH2+][C@H]2CC[C@H]2C2CC2)CCN(Cc2ccccc2)CC1 ZINC000414307960 543325787 /nfs/dbraw/zinc/32/57/87/543325787.db2.gz PSEPKELCEPQCLV-OALUTQOASA-N 1 3 314.473 2.792 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414928506 543327900 /nfs/dbraw/zinc/32/79/00/543327900.db2.gz QDBNIBACVGFNDZ-CWRNSKLLSA-N 1 3 303.450 2.826 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414928506 543327903 /nfs/dbraw/zinc/32/79/03/543327903.db2.gz QDBNIBACVGFNDZ-CWRNSKLLSA-N 1 3 303.450 2.826 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414925496 543327981 /nfs/dbraw/zinc/32/79/81/543327981.db2.gz LWAQDAPDQHQXOD-KYOSRNDESA-N 1 3 309.841 2.917 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414925496 543327984 /nfs/dbraw/zinc/32/79/84/543327984.db2.gz LWAQDAPDQHQXOD-KYOSRNDESA-N 1 3 309.841 2.917 20 0 DFADHO N[C@H](C[NH2+]Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000414895469 543328030 /nfs/dbraw/zinc/32/80/30/543328030.db2.gz XNSACFCNPUCAFW-CQSZACIVSA-N 1 3 320.234 2.824 20 0 DFADHO CC[NH+](CC)C[C@@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416163248 543331873 /nfs/dbraw/zinc/33/18/73/543331873.db2.gz XEZIXMDIHOIKQR-WBVHZDCISA-N 1 3 305.466 2.526 20 0 DFADHO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)o1 ZINC000175008576 145396569 /nfs/dbraw/zinc/39/65/69/145396569.db2.gz LPGSMGLMAPJEMN-LSDHHAIUSA-N 1 3 302.422 2.941 20 0 DFADHO CN(C)CCc1ccccc1NC(=O)N(C)CCCC[NH+](C)C ZINC000682420513 545843645 /nfs/dbraw/zinc/84/36/45/545843645.db2.gz OXRKFBPWCSXVPD-UHFFFAOYSA-N 1 3 320.481 2.596 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000631108657 399982024 /nfs/dbraw/zinc/98/20/24/399982024.db2.gz DSAWZBZKPJCKID-QAPCUYQASA-N 1 3 311.429 2.787 20 0 DFADHO C[C@@H](NCc1ccc(=O)[nH]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000631108657 399982025 /nfs/dbraw/zinc/98/20/25/399982025.db2.gz DSAWZBZKPJCKID-QAPCUYQASA-N 1 3 311.429 2.787 20 0 DFADHO C[C@@H](NCc1ccc(=O)[nH]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631108657 399982027 /nfs/dbraw/zinc/98/20/27/399982027.db2.gz DSAWZBZKPJCKID-QAPCUYQASA-N 1 3 311.429 2.787 20 0 DFADHO C[C@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000633943134 399963093 /nfs/dbraw/zinc/96/30/93/399963093.db2.gz CPHZAKVURRZEAO-IXDOHACOSA-N 1 3 321.509 2.725 20 0 DFADHO CCC1([NH+]2CCCC2)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000633954764 399965177 /nfs/dbraw/zinc/96/51/77/399965177.db2.gz ZNAYMIFFGREWDU-UHFFFAOYSA-N 1 3 321.509 2.585 20 0 DFADHO O=c1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c[nH]1 ZINC000631112817 399982965 /nfs/dbraw/zinc/98/29/65/399982965.db2.gz XZWDQJSGBHFGNS-CEXWTWQISA-N 1 3 323.440 2.787 20 0 DFADHO O=c1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c[nH]1 ZINC000631112817 399982966 /nfs/dbraw/zinc/98/29/66/399982966.db2.gz XZWDQJSGBHFGNS-CEXWTWQISA-N 1 3 323.440 2.787 20 0 DFADHO O=c1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)c[nH]1 ZINC000631112817 399982967 /nfs/dbraw/zinc/98/29/67/399982967.db2.gz XZWDQJSGBHFGNS-CEXWTWQISA-N 1 3 323.440 2.787 20 0 DFADHO COc1cc(Cl)c(CNCCCC[NH+](C)C)cc1OC ZINC000631055373 399970689 /nfs/dbraw/zinc/97/06/89/399970689.db2.gz QGGPOOUZNRORJQ-UHFFFAOYSA-N 1 3 300.830 2.789 20 0 DFADHO C[NH+](C)CCCCNCc1ncc(Br)cc1Cl ZINC000631054966 399970710 /nfs/dbraw/zinc/97/07/10/399970710.db2.gz CEMSLMCVEGBSGW-UHFFFAOYSA-N 1 3 320.662 2.929 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000634121140 399985205 /nfs/dbraw/zinc/98/52/05/399985205.db2.gz QWIIWGPWDFEOPC-KRWDZBQOSA-N 1 3 323.525 2.830 20 0 DFADHO Cc1ccc([C@@H](C)CN2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000628120708 399987677 /nfs/dbraw/zinc/98/76/77/399987677.db2.gz AQCNSLOOIJRAET-IBGZPJMESA-N 1 3 315.505 2.812 20 0 DFADHO CCC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(C)ccn1 ZINC000631565845 400051793 /nfs/dbraw/zinc/05/17/93/400051793.db2.gz JLVNQRYMXRVADL-GOSISDBHSA-N 1 3 318.509 2.848 20 0 DFADHO CN(C)[C@@H](CC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000628747379 400052138 /nfs/dbraw/zinc/05/21/38/400052138.db2.gz PEHKHJCQYTVNJE-AEFFLSMTSA-N 1 3 317.477 2.528 20 0 DFADHO CN(C)[C@@H](CC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628747379 400052140 /nfs/dbraw/zinc/05/21/40/400052140.db2.gz PEHKHJCQYTVNJE-AEFFLSMTSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@H](CCc1c[nH]c2ccccc12)NC[C@H](O)C[NH+]1CCCC1 ZINC000631572372 400053095 /nfs/dbraw/zinc/05/30/95/400053095.db2.gz QDUHGEKIIUHQON-WBVHZDCISA-N 1 3 315.461 2.535 20 0 DFADHO c1cnc2c(c1)[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCC2 ZINC000631580146 400054102 /nfs/dbraw/zinc/05/41/02/400054102.db2.gz DGBKMCBNHQDUCP-DNVCBOLYSA-N 1 3 315.461 2.550 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H]1CCc2cc(OC)ccc21 ZINC000631616427 400058534 /nfs/dbraw/zinc/05/85/34/400058534.db2.gz HNLHVARMKVNNCH-SFHVURJKSA-N 1 3 306.450 2.631 20 0 DFADHO CCOC1CC([NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000631661643 400063468 /nfs/dbraw/zinc/06/34/68/400063468.db2.gz ARHBNIBJUYBVCI-FLODPWGTSA-N 1 3 302.462 2.912 20 0 DFADHO OC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000631669670 400064624 /nfs/dbraw/zinc/06/46/24/400064624.db2.gz JGYNCLVJVAUWGX-SWBPCFCJSA-N 1 3 314.473 2.648 20 0 DFADHO C[N@H+](CCC(=O)NC[C@H]1CCN1C1CCCC1)C1CCCCC1 ZINC000628965033 400066479 /nfs/dbraw/zinc/06/64/79/400066479.db2.gz SZLDKRJTMKIYNZ-GOSISDBHSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@@H+](CCC(=O)NC[C@H]1CCN1C1CCCC1)C1CCCCC1 ZINC000628965033 400066480 /nfs/dbraw/zinc/06/64/80/400066480.db2.gz SZLDKRJTMKIYNZ-GOSISDBHSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC[C@@H](O)C(F)F)CC2)C1 ZINC000631699505 400068129 /nfs/dbraw/zinc/06/81/29/400068129.db2.gz ZXSQDGFLSGJUEI-VHDGCEQUSA-N 1 3 304.425 2.635 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@@H](O)C(F)F)CC2)C1 ZINC000631699505 400068130 /nfs/dbraw/zinc/06/81/30/400068130.db2.gz ZXSQDGFLSGJUEI-VHDGCEQUSA-N 1 3 304.425 2.635 20 0 DFADHO C[C@@H]1CN(Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC000631839376 400078822 /nfs/dbraw/zinc/07/88/22/400078822.db2.gz FRFFGFJNIYDJKX-QAPCUYQASA-N 1 3 311.429 2.687 20 0 DFADHO C[C@@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C1CCSCC1 ZINC000187409084 145757062 /nfs/dbraw/zinc/75/70/62/145757062.db2.gz NKJHDSMXPCPIAZ-CQSZACIVSA-N 1 3 323.506 2.643 20 0 DFADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(Br)s1 ZINC000235520628 146019587 /nfs/dbraw/zinc/01/95/87/146019587.db2.gz XODKWLWNTPYUBN-JTQLQIEISA-N 1 3 321.284 2.739 20 0 DFADHO C[C@]1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCCCN1 ZINC000237792070 146052238 /nfs/dbraw/zinc/05/22/38/146052238.db2.gz VAPVVTRHINLRIK-LJQANCHMSA-N 1 3 321.509 2.633 20 0 DFADHO C[C@]1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCCCN1 ZINC000237792070 146052240 /nfs/dbraw/zinc/05/22/40/146052240.db2.gz VAPVVTRHINLRIK-LJQANCHMSA-N 1 3 321.509 2.633 20 0 DFADHO C[C@]1(C(=O)N2CCCN(CC3CCCCC3)CC2)CCCC[NH2+]1 ZINC000237792070 146052242 /nfs/dbraw/zinc/05/22/42/146052242.db2.gz VAPVVTRHINLRIK-LJQANCHMSA-N 1 3 321.509 2.633 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000245202294 146063235 /nfs/dbraw/zinc/06/32/35/146063235.db2.gz QVSXJFQPMQSJNB-HZMVEIRTSA-N 1 3 311.514 2.874 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2sc(CCOC)nc2C)C1 ZINC000245622421 146088261 /nfs/dbraw/zinc/08/82/61/146088261.db2.gz RQYJVYBRSQEGGZ-OCCSQVGLSA-N 1 3 311.495 2.633 20 0 DFADHO CN1CCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245731233 146097964 /nfs/dbraw/zinc/09/79/64/146097964.db2.gz QGKRXWPERKMZBT-IYWMVGAKSA-N 1 3 313.489 2.866 20 0 DFADHO CN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245731229 146098444 /nfs/dbraw/zinc/09/84/44/146098444.db2.gz QGKRXWPERKMZBT-HAGHYFMRSA-N 1 3 313.489 2.866 20 0 DFADHO CC1(C)[C@H](O)C[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248886126 146173801 /nfs/dbraw/zinc/17/38/01/146173801.db2.gz MCBIZNMAKSZKKG-UJWQCDCRSA-N 1 3 314.473 2.931 20 0 DFADHO CC1(C)[C@H](O)C[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248886126 146173803 /nfs/dbraw/zinc/17/38/03/146173803.db2.gz MCBIZNMAKSZKKG-UJWQCDCRSA-N 1 3 314.473 2.931 20 0 DFADHO C[C@H]1CC[C@@H](C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)O1 ZINC000249121633 146188252 /nfs/dbraw/zinc/18/82/52/146188252.db2.gz SVBZBWDTWFYUHY-FAJBIJEISA-N 1 3 324.509 2.765 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@@H](O)C(F)F ZINC000453272090 543371892 /nfs/dbraw/zinc/37/18/92/543371892.db2.gz RXTTXWHQEKTZFW-QKPAOTATSA-N 1 3 312.404 2.816 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@@H](O)C(F)F ZINC000453272090 543371896 /nfs/dbraw/zinc/37/18/96/543371896.db2.gz RXTTXWHQEKTZFW-QKPAOTATSA-N 1 3 312.404 2.816 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](CCCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000249520561 146200704 /nfs/dbraw/zinc/20/07/04/146200704.db2.gz UZXXOBSNONMZNC-RTBURBONSA-N 1 3 314.473 2.970 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000249520561 146200708 /nfs/dbraw/zinc/20/07/08/146200708.db2.gz UZXXOBSNONMZNC-RTBURBONSA-N 1 3 314.473 2.970 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(CCCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000249520561 146200711 /nfs/dbraw/zinc/20/07/11/146200711.db2.gz UZXXOBSNONMZNC-RTBURBONSA-N 1 3 314.473 2.970 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(CCCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000249520561 146200714 /nfs/dbraw/zinc/20/07/14/146200714.db2.gz UZXXOBSNONMZNC-RTBURBONSA-N 1 3 314.473 2.970 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cccc3c2NCC3)C1 ZINC000261760701 146272214 /nfs/dbraw/zinc/27/22/14/146272214.db2.gz CXEZBDGYANLDNC-GOSISDBHSA-N 1 3 317.477 2.587 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000261963187 146310111 /nfs/dbraw/zinc/31/01/11/146310111.db2.gz XZUXIXQPNWEWNV-SFHVURJKSA-N 1 3 321.509 2.761 20 0 DFADHO C[C@]1(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CC[NH2+]C1 ZINC000261977864 146313491 /nfs/dbraw/zinc/31/34/91/146313491.db2.gz IXLUWVNNPMVQIA-KSZLIROESA-N 1 3 306.425 2.713 20 0 DFADHO CC(=O)Nc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000261986937 146317660 /nfs/dbraw/zinc/31/76/60/146317660.db2.gz SHUXPRUNLZVLKD-SFHVURJKSA-N 1 3 301.434 2.609 20 0 DFADHO Fc1ccc(-n2nccc2CN2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262038046 146326412 /nfs/dbraw/zinc/32/64/12/146326412.db2.gz OULQFPDMGSYAAB-UHFFFAOYSA-N 1 3 314.408 2.587 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000262047984 146327555 /nfs/dbraw/zinc/32/75/55/146327555.db2.gz ZHCPUGKZJSZXEE-CHWSQXEVSA-N 1 3 304.463 2.708 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3ccccc3Cl)C[C@H]21 ZINC000262099665 146332936 /nfs/dbraw/zinc/33/29/36/146332936.db2.gz ISSDVUPJBCMQMZ-GZBFAFLISA-N 1 3 321.852 2.728 20 0 DFADHO CCC[C@](C)(N)C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000262136648 146338023 /nfs/dbraw/zinc/33/80/23/146338023.db2.gz OASODSNIUYLWAR-MJGOQNOKSA-N 1 3 319.493 2.573 20 0 DFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262353524 146353458 /nfs/dbraw/zinc/35/34/58/146353458.db2.gz UUMISOUNDKPJEJ-XKTBZMPXSA-N 1 3 321.509 2.519 20 0 DFADHO CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000262703051 146383444 /nfs/dbraw/zinc/38/34/44/146383444.db2.gz KAMRAWQFXWLZSZ-RHSMWYFYSA-N 1 3 323.506 2.594 20 0 DFADHO CN(C)CCOCC[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000354203690 146947815 /nfs/dbraw/zinc/94/78/15/146947815.db2.gz JCMWPSIYVDBNDG-ROUUACIJSA-N 1 3 320.477 2.538 20 0 DFADHO CC[N@H+](C)Cc1cccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000355410758 147304991 /nfs/dbraw/zinc/30/49/91/147304991.db2.gz KPQJWCSDRDEWPA-HOTGVXAUSA-N 1 3 317.477 2.627 20 0 DFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000355410758 147304994 /nfs/dbraw/zinc/30/49/94/147304994.db2.gz KPQJWCSDRDEWPA-HOTGVXAUSA-N 1 3 317.477 2.627 20 0 DFADHO C[NH+](C)CC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000350174982 286014870 /nfs/dbraw/zinc/01/48/70/286014870.db2.gz FFKXNUZJOIQRDG-UHFFFAOYSA-N 1 3 316.424 2.785 20 0 DFADHO CC[NH+](CC)CC1CCN(Cc2cnn3ccccc23)CC1 ZINC000350174642 286014965 /nfs/dbraw/zinc/01/49/65/286014965.db2.gz DFRBIVDIBQEVJD-UHFFFAOYSA-N 1 3 300.450 2.888 20 0 DFADHO C[C@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)N1CCCCCC1 ZINC000357918617 148175328 /nfs/dbraw/zinc/17/53/28/148175328.db2.gz UJKSHFNZOJYGNH-QGZVFWFLSA-N 1 3 323.525 2.974 20 0 DFADHO C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)N1CCCCCC1 ZINC000357918617 148175332 /nfs/dbraw/zinc/17/53/32/148175332.db2.gz UJKSHFNZOJYGNH-QGZVFWFLSA-N 1 3 323.525 2.974 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCOC2CCCC2)[C@H](C)C1 ZINC000358016753 148214476 /nfs/dbraw/zinc/21/44/76/148214476.db2.gz HLDHBOYJRWONFG-AEFFLSMTSA-N 1 3 312.498 2.672 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCOC2CCCC2)[C@H](C)C1 ZINC000358016753 148214481 /nfs/dbraw/zinc/21/44/81/148214481.db2.gz HLDHBOYJRWONFG-AEFFLSMTSA-N 1 3 312.498 2.672 20 0 DFADHO C[N@H+]1CC=C(CNCc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000350292821 286025688 /nfs/dbraw/zinc/02/56/88/286025688.db2.gz ZQDLKNZZPXDZCU-UHFFFAOYSA-N 1 3 316.445 2.993 20 0 DFADHO C[N@@H+]1CC=C(CNCc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000350292821 286025689 /nfs/dbraw/zinc/02/56/89/286025689.db2.gz ZQDLKNZZPXDZCU-UHFFFAOYSA-N 1 3 316.445 2.993 20 0 DFADHO c1c(CNC[C@H]2CC23CCSCC3)onc1C1CC[NH2+]CC1 ZINC000425895805 296603498 /nfs/dbraw/zinc/60/34/98/296603498.db2.gz LGLHABCIIPGUPZ-CQSZACIVSA-N 1 3 321.490 2.765 20 0 DFADHO c1c(CN[C@H]2C[C@H]2Cc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425904473 296603715 /nfs/dbraw/zinc/60/37/15/296603715.db2.gz YSJFJCOLYNMNBY-AEFFLSMTSA-N 1 3 311.429 2.862 20 0 DFADHO Cc1cccc2c1CC[C@@H]2NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000358304391 148322487 /nfs/dbraw/zinc/32/24/87/148322487.db2.gz RWANGIWOKXLHLG-ZCNNSNEGSA-N 1 3 314.473 2.950 20 0 DFADHO Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358517879 148382094 /nfs/dbraw/zinc/38/20/94/148382094.db2.gz PYLZOODJKSCGMZ-INIZCTEOSA-N 1 3 315.461 2.706 20 0 DFADHO C[C@H](Cc1cnn(C)c1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000350477081 286047388 /nfs/dbraw/zinc/04/73/88/286047388.db2.gz LPAORZNSPYHQAM-OAHLLOKOSA-N 1 3 304.482 2.738 20 0 DFADHO C[C@H](Cc1cnn(C)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000350477081 286047389 /nfs/dbraw/zinc/04/73/89/286047389.db2.gz LPAORZNSPYHQAM-OAHLLOKOSA-N 1 3 304.482 2.738 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@H]3CCC[C@H]([NH3+])C3)n2)cc1 ZINC000350723900 286077645 /nfs/dbraw/zinc/07/76/45/286077645.db2.gz FXYAMJZSKRSSBJ-GJZGRUSLSA-N 1 3 300.406 2.783 20 0 DFADHO Fc1ccccc1N1CC[C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000361009707 149007443 /nfs/dbraw/zinc/00/74/43/149007443.db2.gz MHEQKKFHDQGOLT-IXDOHACOSA-N 1 3 317.452 2.868 20 0 DFADHO Fc1ccccc1N1CC[C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000361009707 149007444 /nfs/dbraw/zinc/00/74/44/149007444.db2.gz MHEQKKFHDQGOLT-IXDOHACOSA-N 1 3 317.452 2.868 20 0 DFADHO Fc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000361009707 149007447 /nfs/dbraw/zinc/00/74/47/149007447.db2.gz MHEQKKFHDQGOLT-IXDOHACOSA-N 1 3 317.452 2.868 20 0 DFADHO CCC[C@H](CC)[NH2+]Cc1c(C)nn(C)c1N1CCCN(C)CC1 ZINC000361027102 149012927 /nfs/dbraw/zinc/01/29/27/149012927.db2.gz DGWCDNWNRXBSME-INIZCTEOSA-N 1 3 321.513 2.539 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000361067715 149022448 /nfs/dbraw/zinc/02/24/48/149022448.db2.gz JJJOXOGNWUIQOM-WBVHZDCISA-N 1 3 317.477 2.514 20 0 DFADHO Cn1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C(F)F)n1 ZINC000361117391 149031794 /nfs/dbraw/zinc/03/17/94/149031794.db2.gz JMSVDPWBZBNWPF-CYBMUJFWSA-N 1 3 312.408 2.521 20 0 DFADHO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(OCCN(C)C)cc1 ZINC000361387220 149102629 /nfs/dbraw/zinc/10/26/29/149102629.db2.gz USIGQLNVMIJXEM-CRAIPNDOSA-N 1 3 306.450 2.704 20 0 DFADHO CC[NH+]1CCC(n2nccc2NC(=O)C(C)C(F)(F)F)CC1 ZINC000361654770 149181891 /nfs/dbraw/zinc/18/18/91/149181891.db2.gz JZWAHAQAJULUKT-JTQLQIEISA-N 1 3 318.343 2.677 20 0 DFADHO CC1CCN(C(=[NH2+])NC[C@@H]2CCN(C)[C@H]2c2cccs2)CC1 ZINC000361947164 149262905 /nfs/dbraw/zinc/26/29/05/149262905.db2.gz ZAWGPQJBVWUTIV-GOEBONIOSA-N 1 3 320.506 2.997 20 0 DFADHO CC1CCN(C(=[NH2+])NC[C@H]2CCN(C)[C@H]2c2cccs2)CC1 ZINC000361947159 149262919 /nfs/dbraw/zinc/26/29/19/149262919.db2.gz ZAWGPQJBVWUTIV-GDBMZVCRSA-N 1 3 320.506 2.997 20 0 DFADHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000361985355 149270844 /nfs/dbraw/zinc/27/08/44/149270844.db2.gz YJAGOPNRRAPJHQ-RDTXWAMCSA-N 1 3 312.461 2.919 20 0 DFADHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000361985355 149270846 /nfs/dbraw/zinc/27/08/46/149270846.db2.gz YJAGOPNRRAPJHQ-RDTXWAMCSA-N 1 3 312.461 2.919 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000351482072 286131630 /nfs/dbraw/zinc/13/16/30/286131630.db2.gz YOLREOCMDOQHMQ-KCPJHIHWSA-N 1 3 314.351 2.753 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]12 ZINC000351482084 286131634 /nfs/dbraw/zinc/13/16/34/286131634.db2.gz YRPTZAOEFDLTAL-BPLDGKMQSA-N 1 3 314.351 2.797 20 0 DFADHO Cc1nccn1CCCN1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371196483 150000861 /nfs/dbraw/zinc/00/08/61/150000861.db2.gz DVUXSRWPNXAPMS-SFHVURJKSA-N 1 3 304.482 2.780 20 0 DFADHO Cc1nccn1CCC[N@@H+]1CCC[C@@H](CN2CCCCC2)C1 ZINC000371196483 150000863 /nfs/dbraw/zinc/00/08/63/150000863.db2.gz DVUXSRWPNXAPMS-SFHVURJKSA-N 1 3 304.482 2.780 20 0 DFADHO Cc1nccn1CCC[N@H+]1CCC[C@@H](CN2CCCCC2)C1 ZINC000371196483 150000864 /nfs/dbraw/zinc/00/08/64/150000864.db2.gz DVUXSRWPNXAPMS-SFHVURJKSA-N 1 3 304.482 2.780 20 0 DFADHO Cc1ccnc(NC[C@@H]2CC[N@@H+](CC[C@H]3CCCN3C)C2)c1 ZINC000371204545 150002972 /nfs/dbraw/zinc/00/29/72/150002972.db2.gz IFSJFZKVKJONMK-DLBZAZTESA-N 1 3 302.466 2.608 20 0 DFADHO Cc1ccnc(NC[C@@H]2CC[N@H+](CC[C@H]3CCCN3C)C2)c1 ZINC000371204545 150002976 /nfs/dbraw/zinc/00/29/76/150002976.db2.gz IFSJFZKVKJONMK-DLBZAZTESA-N 1 3 302.466 2.608 20 0 DFADHO Cc1ccnc(NC[C@@H]2CCN(CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC000371204545 150002978 /nfs/dbraw/zinc/00/29/78/150002978.db2.gz IFSJFZKVKJONMK-DLBZAZTESA-N 1 3 302.466 2.608 20 0 DFADHO Cc1ccnc(NC[C@@H]2CCN(CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000371204545 150002980 /nfs/dbraw/zinc/00/29/80/150002980.db2.gz IFSJFZKVKJONMK-DLBZAZTESA-N 1 3 302.466 2.608 20 0 DFADHO Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000371723983 150086651 /nfs/dbraw/zinc/08/66/51/150086651.db2.gz OMNIVFAGCGRWOS-HKUYNNGSSA-N 1 3 312.461 2.820 20 0 DFADHO Cn1ccnc1CC1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000372018755 150125523 /nfs/dbraw/zinc/12/55/23/150125523.db2.gz KYUGNEQXSIKKII-KRWDZBQOSA-N 1 3 304.482 2.549 20 0 DFADHO Cn1ccnc1CC1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000372018755 150125525 /nfs/dbraw/zinc/12/55/25/150125525.db2.gz KYUGNEQXSIKKII-KRWDZBQOSA-N 1 3 304.482 2.549 20 0 DFADHO Cn1ccnc1CC1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000372018755 150125530 /nfs/dbraw/zinc/12/55/30/150125530.db2.gz KYUGNEQXSIKKII-KRWDZBQOSA-N 1 3 304.482 2.549 20 0 DFADHO O=C(Nc1cccc(CN2CCCCC2)c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000372433013 150172346 /nfs/dbraw/zinc/17/23/46/150172346.db2.gz ZNUOQHUQTCTAKR-HKUYNNGSSA-N 1 3 313.445 2.611 20 0 DFADHO Cc1ccnc(NC[C@@H]2CCN(CCC[NH+]3CCCCC3)C2)c1 ZINC000372506672 150177411 /nfs/dbraw/zinc/17/74/11/150177411.db2.gz PIUMNRXYVATRNA-SFHVURJKSA-N 1 3 316.493 3.000 20 0 DFADHO Cc1ccnc(NC[C@@H]2CC[N@H+](CCCN3CCCCC3)C2)c1 ZINC000372506672 150177412 /nfs/dbraw/zinc/17/74/12/150177412.db2.gz PIUMNRXYVATRNA-SFHVURJKSA-N 1 3 316.493 3.000 20 0 DFADHO Cc1ccnc(NC[C@@H]2CC[N@@H+](CCCN3CCCCC3)C2)c1 ZINC000372506672 150177416 /nfs/dbraw/zinc/17/74/16/150177416.db2.gz PIUMNRXYVATRNA-SFHVURJKSA-N 1 3 316.493 3.000 20 0 DFADHO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1C ZINC000373002077 150215015 /nfs/dbraw/zinc/21/50/15/150215015.db2.gz ZLVZTDYGOCYOJX-FQEVSTJZSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1ccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1C ZINC000373002077 150215017 /nfs/dbraw/zinc/21/50/17/150215017.db2.gz ZLVZTDYGOCYOJX-FQEVSTJZSA-N 1 3 315.505 2.904 20 0 DFADHO CC(=O)Nc1cccc(CN2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374075828 150303402 /nfs/dbraw/zinc/30/34/02/150303402.db2.gz XHRUTRRHDBMCQJ-UHFFFAOYSA-N 1 3 315.461 2.953 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCN1CCN(CCc2ccccc2)CC1 ZINC000351690754 286194795 /nfs/dbraw/zinc/19/47/95/286194795.db2.gz GCACYGSYFWJWQK-HXUWFJFHSA-N 1 3 315.505 2.721 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCN1CCN(CCc2ccccc2)CC1 ZINC000351690754 286194797 /nfs/dbraw/zinc/19/47/97/286194797.db2.gz GCACYGSYFWJWQK-HXUWFJFHSA-N 1 3 315.505 2.721 20 0 DFADHO C[N@H+](C[C@@H](O)CN1C[C@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722083 286202591 /nfs/dbraw/zinc/20/25/91/286202591.db2.gz WERISGAREPLMFH-QZTJIDSGSA-N 1 3 302.462 2.567 20 0 DFADHO C[N@@H+](C[C@@H](O)CN1C[C@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722083 286202593 /nfs/dbraw/zinc/20/25/93/286202593.db2.gz WERISGAREPLMFH-QZTJIDSGSA-N 1 3 302.462 2.567 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000352022999 286272142 /nfs/dbraw/zinc/27/21/42/286272142.db2.gz STLWEWLKXRWCCC-IEBWSBKVSA-N 1 3 300.446 2.992 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000352022999 286272143 /nfs/dbraw/zinc/27/21/43/286272143.db2.gz STLWEWLKXRWCCC-IEBWSBKVSA-N 1 3 300.446 2.992 20 0 DFADHO C[C@@H]1CC[C@@H](c2ccccc2)N(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000352115682 286296310 /nfs/dbraw/zinc/29/63/10/286296310.db2.gz NLYUYNONRPPFLV-MNEFBYGVSA-N 1 3 302.462 2.915 20 0 DFADHO C[C@@H]1CC[C@@H](c2ccccc2)N(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352115682 286296311 /nfs/dbraw/zinc/29/63/11/286296311.db2.gz NLYUYNONRPPFLV-MNEFBYGVSA-N 1 3 302.462 2.915 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000352411799 286366685 /nfs/dbraw/zinc/36/66/85/286366685.db2.gz YXYPZCLWAZIMLL-IYBDPMFKSA-N 1 3 321.509 2.773 20 0 DFADHO C[NH+]1CCC(C[NH2+]Cc2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000352840532 286481752 /nfs/dbraw/zinc/48/17/52/286481752.db2.gz NJPXWPAKUIKKBP-UHFFFAOYSA-N 1 3 302.340 2.842 20 0 DFADHO CCCCOC(=O)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246281698 158084713 /nfs/dbraw/zinc/08/47/13/158084713.db2.gz AYPORONZUKWLSP-RDJZCZTQSA-N 1 3 308.466 2.669 20 0 DFADHO CCCCOC(=O)CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246281698 158084715 /nfs/dbraw/zinc/08/47/15/158084715.db2.gz AYPORONZUKWLSP-RDJZCZTQSA-N 1 3 308.466 2.669 20 0 DFADHO CCN(C/C=C/C[N@H+](CC)C[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000246770665 158097717 /nfs/dbraw/zinc/09/77/17/158097717.db2.gz OTQQIHSDVNGQOU-FBLDJFESSA-N 1 3 310.482 2.544 20 0 DFADHO CCN(C/C=C/C[N@@H+](CC)C[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000246770665 158097719 /nfs/dbraw/zinc/09/77/19/158097719.db2.gz OTQQIHSDVNGQOU-FBLDJFESSA-N 1 3 310.482 2.544 20 0 DFADHO CCN(C/C=C/C[N@H+](CC)C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000246770665 158097720 /nfs/dbraw/zinc/09/77/20/158097720.db2.gz OTQQIHSDVNGQOU-FBLDJFESSA-N 1 3 310.482 2.544 20 0 DFADHO CCN(C/C=C/C[N@@H+](CC)C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000246770665 158097723 /nfs/dbraw/zinc/09/77/23/158097723.db2.gz OTQQIHSDVNGQOU-FBLDJFESSA-N 1 3 310.482 2.544 20 0 DFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000246816181 158100515 /nfs/dbraw/zinc/10/05/15/158100515.db2.gz IYHIOMJFVVDPIR-JKSUJKDBSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000246816181 158100517 /nfs/dbraw/zinc/10/05/17/158100517.db2.gz IYHIOMJFVVDPIR-JKSUJKDBSA-N 1 3 317.477 2.598 20 0 DFADHO Cc1ccc([C@H](O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246994146 158112226 /nfs/dbraw/zinc/11/22/26/158112226.db2.gz WOQIXICFMISRIV-YZGWKJHDSA-N 1 3 314.473 2.977 20 0 DFADHO Cc1ccc([C@H](O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246994146 158112229 /nfs/dbraw/zinc/11/22/29/158112229.db2.gz WOQIXICFMISRIV-YZGWKJHDSA-N 1 3 314.473 2.977 20 0 DFADHO C[C@@H](C[C@H](O)c1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248742926 158198691 /nfs/dbraw/zinc/19/86/91/158198691.db2.gz ALQSMHUSKAKZTP-LRCWTTKQSA-N 1 3 306.425 2.853 20 0 DFADHO C[C@@H](C[C@H](O)c1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248742926 158198693 /nfs/dbraw/zinc/19/86/93/158198693.db2.gz ALQSMHUSKAKZTP-LRCWTTKQSA-N 1 3 306.425 2.853 20 0 DFADHO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000355060027 158262866 /nfs/dbraw/zinc/26/28/66/158262866.db2.gz UMWZWVUTPWMRIL-NXHRZFHOSA-N 1 3 317.477 2.668 20 0 DFADHO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000355060027 158262867 /nfs/dbraw/zinc/26/28/67/158262867.db2.gz UMWZWVUTPWMRIL-NXHRZFHOSA-N 1 3 317.477 2.668 20 0 DFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CN2CCCC2)[C@H]1C ZINC000355143228 158284205 /nfs/dbraw/zinc/28/42/05/158284205.db2.gz ZRPLVVKIIPQDKK-HRCADAONSA-N 1 3 310.482 2.676 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@@H]1CCCOC1 ZINC000356870814 158317217 /nfs/dbraw/zinc/31/72/17/158317217.db2.gz OMRNPAOXSJWJTQ-FUHWJXTLSA-N 1 3 320.477 2.574 20 0 DFADHO COc1cccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1OC ZINC000357059211 158358169 /nfs/dbraw/zinc/35/81/69/158358169.db2.gz WOKQFQVTSSZSFE-HNNXBMFYSA-N 1 3 304.434 2.525 20 0 DFADHO CC(C)[C@@H](C(=O)NCCCCC[NH+]1CCCC1)N1CCCCC1 ZINC000357088043 158363517 /nfs/dbraw/zinc/36/35/17/158363517.db2.gz MVVZOMJNBKKDRD-SFHVURJKSA-N 1 3 323.525 2.879 20 0 DFADHO Cc1cnc(CCNC2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000358374325 158373328 /nfs/dbraw/zinc/37/33/28/158373328.db2.gz ZRIJPVPUYQFSST-UHFFFAOYSA-N 1 3 324.472 2.624 20 0 DFADHO C[NH2+]CC1CCN(Cc2cccc(C(=O)NCC(C)C)c2)CC1 ZINC000430970830 296816029 /nfs/dbraw/zinc/81/60/29/296816029.db2.gz LGIKPRBOOXUUSI-UHFFFAOYSA-N 1 3 317.477 2.504 20 0 DFADHO CC[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C(C)(C)O ZINC000295082663 286921747 /nfs/dbraw/zinc/92/17/47/286921747.db2.gz UCDXIRAQXSQDMK-WMLDXEAASA-N 1 3 308.466 2.827 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)N1CCCCCC1 ZINC000360217532 287013356 /nfs/dbraw/zinc/01/33/56/287013356.db2.gz GPVKWAYMGNHPRH-DLBZAZTESA-N 1 3 309.498 2.632 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)N1CCCCCC1 ZINC000360217532 287013358 /nfs/dbraw/zinc/01/33/58/287013358.db2.gz GPVKWAYMGNHPRH-DLBZAZTESA-N 1 3 309.498 2.632 20 0 DFADHO CC(C)C[C@@H](CN(C)C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431852198 296853013 /nfs/dbraw/zinc/85/30/13/296853013.db2.gz VHUQFBILYKHGBM-ROUUACIJSA-N 1 3 319.493 2.772 20 0 DFADHO CC[N@@H+]1CC[C@@H](NC[C@@H](C)Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000129006182 196011097 /nfs/dbraw/zinc/01/10/97/196011097.db2.gz GUVLYRJWRXDJIL-IIDMSEBBSA-N 1 3 306.450 2.782 20 0 DFADHO CC[N@H+]1CC[C@@H](NC[C@@H](C)Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000129006182 196011099 /nfs/dbraw/zinc/01/10/99/196011099.db2.gz GUVLYRJWRXDJIL-IIDMSEBBSA-N 1 3 306.450 2.782 20 0 DFADHO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000132995619 196302800 /nfs/dbraw/zinc/30/28/00/196302800.db2.gz BYVBIZKNLWEDHC-WMZOPIPTSA-N 1 3 319.493 2.762 20 0 DFADHO COc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000133094638 196310698 /nfs/dbraw/zinc/31/06/98/196310698.db2.gz BGNPDPZSAWFFFF-JKSUJKDBSA-N 1 3 318.461 2.847 20 0 DFADHO CC[NH+]1CCC(CCNCc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433330342 296907726 /nfs/dbraw/zinc/90/77/26/296907726.db2.gz BINCQNCFNBOKQL-UHFFFAOYSA-N 1 3 302.422 2.881 20 0 DFADHO CC[NH+](CC)CC1CCN(Cc2c(C3CC3)cnn2C)CC1 ZINC000667502100 543619496 /nfs/dbraw/zinc/61/94/96/543619496.db2.gz TZLRDVYPUKMRTF-UHFFFAOYSA-N 1 3 304.482 2.851 20 0 DFADHO CN(C)C[C@@H](NC(=O)Nc1cccc(C[NH3+])c1)c1ccccc1 ZINC000667732852 543669033 /nfs/dbraw/zinc/66/90/33/543669033.db2.gz UPTPUKJFZBYBOR-QGZVFWFLSA-N 1 3 312.417 2.570 20 0 DFADHO [NH3+]Cc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000667732584 543669356 /nfs/dbraw/zinc/66/93/56/543669356.db2.gz OCOBLTQXCWCOSE-SFHVURJKSA-N 1 3 324.428 2.541 20 0 DFADHO CN(C)[C@H](CC(=O)NC(C)(C)CCC[NH+](C)C)c1ccccc1 ZINC000668008741 543722440 /nfs/dbraw/zinc/72/24/40/543722440.db2.gz WUNRNPPHZJOLNT-QGZVFWFLSA-N 1 3 319.493 2.916 20 0 DFADHO c1cc(CN[C@@H]2CO[C@H](C3CC3)C2)cc(C[NH+]2CCCC2)c1 ZINC000667927821 543704939 /nfs/dbraw/zinc/70/49/39/543704939.db2.gz GTQXPRLANQJVCG-OALUTQOASA-N 1 3 300.446 2.940 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)C1 ZINC000668490459 543814087 /nfs/dbraw/zinc/81/40/87/543814087.db2.gz WMCALOZCGPVJKA-GOSISDBHSA-N 1 3 300.446 2.676 20 0 DFADHO c1ccc(CN2C[C@@H](C[NH2+]C3CSC3)C3(CCC3)C2)cc1 ZINC000668713312 543852092 /nfs/dbraw/zinc/85/20/92/543852092.db2.gz MKJVPGWXINGLOF-MRXNPFEDSA-N 1 3 302.487 2.994 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H](CNC3CSC3)C3(CCC3)C2)cc1 ZINC000668713312 543852093 /nfs/dbraw/zinc/85/20/93/543852093.db2.gz MKJVPGWXINGLOF-MRXNPFEDSA-N 1 3 302.487 2.994 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H](CNC3CSC3)C3(CCC3)C2)cc1 ZINC000668713312 543852095 /nfs/dbraw/zinc/85/20/95/543852095.db2.gz MKJVPGWXINGLOF-MRXNPFEDSA-N 1 3 302.487 2.994 20 0 DFADHO C[NH+](C)CCC[C@@H]1CN(C[C@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000668785855 543867453 /nfs/dbraw/zinc/86/74/53/543867453.db2.gz ZIGLXGSDYJAWQA-GUDVDZBRSA-N 1 3 302.462 2.833 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+]C3CCC(C(F)F)CC3)C2)CC1 ZINC000669614807 543975476 /nfs/dbraw/zinc/97/54/76/543975476.db2.gz HLKBPQPCSRLCRG-NRXISQOPSA-N 1 3 315.452 2.568 20 0 DFADHO CO[C@@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)[C@H](C)C1 ZINC000669621114 543976712 /nfs/dbraw/zinc/97/67/12/543976712.db2.gz GYLLIHSYBHXUNH-CRAIPNDOSA-N 1 3 306.450 2.626 20 0 DFADHO CO[C@@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)[C@H](C)C1 ZINC000669621114 543976714 /nfs/dbraw/zinc/97/67/14/543976714.db2.gz GYLLIHSYBHXUNH-CRAIPNDOSA-N 1 3 306.450 2.626 20 0 DFADHO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000671748411 544105880 /nfs/dbraw/zinc/10/58/80/544105880.db2.gz GUPFXFHBTVIOPA-XOYOTBSWSA-N 1 3 316.445 2.981 20 0 DFADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672619021 544143846 /nfs/dbraw/zinc/14/38/46/544143846.db2.gz HYJFQXGLFMEZMG-USXIJHARSA-N 1 3 308.853 2.632 20 0 DFADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672619021 544143848 /nfs/dbraw/zinc/14/38/48/544143848.db2.gz HYJFQXGLFMEZMG-USXIJHARSA-N 1 3 308.853 2.632 20 0 DFADHO C[C@@](O)(CNC1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000297364977 227069165 /nfs/dbraw/zinc/06/91/65/227069165.db2.gz GCHCJZLHWZIBQH-QGZVFWFLSA-N 1 3 308.853 2.764 20 0 DFADHO C[C@](O)(CNC1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000297364972 227070376 /nfs/dbraw/zinc/07/03/76/227070376.db2.gz GCHCJZLHWZIBQH-KRWDZBQOSA-N 1 3 308.853 2.764 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000673716207 544193618 /nfs/dbraw/zinc/19/36/18/544193618.db2.gz SCNQIQBNJGUHES-VQIMIIECSA-N 1 3 320.477 2.874 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000673716207 544193620 /nfs/dbraw/zinc/19/36/20/544193620.db2.gz SCNQIQBNJGUHES-VQIMIIECSA-N 1 3 320.477 2.874 20 0 DFADHO CN(C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291259344 222265614 /nfs/dbraw/zinc/26/56/14/222265614.db2.gz WTZXQRDOOPXXGV-IUODEOHRSA-N 1 3 316.367 2.622 20 0 DFADHO CN(C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291259344 222265617 /nfs/dbraw/zinc/26/56/17/222265617.db2.gz WTZXQRDOOPXXGV-IUODEOHRSA-N 1 3 316.367 2.622 20 0 DFADHO C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000681389764 545636189 /nfs/dbraw/zinc/63/61/89/545636189.db2.gz UGVKAHYCDZKOOZ-KBPBESRZSA-N 1 3 321.431 2.866 20 0 DFADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCO2 ZINC000677238247 544456940 /nfs/dbraw/zinc/45/69/40/544456940.db2.gz ZTGIMOSBJNEWRT-HOTGVXAUSA-N 1 3 316.445 2.909 20 0 DFADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCO2 ZINC000677238247 544456945 /nfs/dbraw/zinc/45/69/45/544456945.db2.gz ZTGIMOSBJNEWRT-HOTGVXAUSA-N 1 3 316.445 2.909 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000677804313 544543234 /nfs/dbraw/zinc/54/32/34/544543234.db2.gz FBHQKDFGUGHOAP-SJLPKXTDSA-N 1 3 303.494 2.969 20 0 DFADHO CCC[C@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)N(C)C ZINC000677862750 544553453 /nfs/dbraw/zinc/55/34/53/544553453.db2.gz AFPWJWACYSVNJJ-GOSISDBHSA-N 1 3 323.525 2.831 20 0 DFADHO CN1CCC[C@@H](N2CC[NH+](C[C@H]3CCCC(C)(C)C3)CC2)C1 ZINC000678259013 544635016 /nfs/dbraw/zinc/63/50/16/544635016.db2.gz VRCNWWVKPMDVIC-ZWKOTPCHSA-N 1 3 307.526 2.915 20 0 DFADHO CC[C@H](CN1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000678258766 544635583 /nfs/dbraw/zinc/63/55/83/544635583.db2.gz MQAFYBPPYBCRSO-QUCCMNQESA-N 1 3 315.505 2.892 20 0 DFADHO CC[C@H](CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000678258766 544635587 /nfs/dbraw/zinc/63/55/87/544635587.db2.gz MQAFYBPPYBCRSO-QUCCMNQESA-N 1 3 315.505 2.892 20 0 DFADHO CN(C)CCOC1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000678260746 544636108 /nfs/dbraw/zinc/63/61/08/544636108.db2.gz INGHERACAWPHJC-INIZCTEOSA-N 1 3 318.461 2.595 20 0 DFADHO Cc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c(C)n1 ZINC000678598084 544699086 /nfs/dbraw/zinc/69/90/86/544699086.db2.gz AASSZXOJPIYFRC-SNRMKQJTSA-N 1 3 317.477 2.727 20 0 DFADHO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000679074966 544779954 /nfs/dbraw/zinc/77/99/54/544779954.db2.gz FVYJFJJNGFSMLA-FRQCXROJSA-N 1 3 319.493 2.618 20 0 DFADHO OCC1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000679395445 544848707 /nfs/dbraw/zinc/84/87/07/544848707.db2.gz XGCPXLCSUVLNIE-NNZMDNLPSA-N 1 3 300.446 2.544 20 0 DFADHO OCC1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000679395445 544848709 /nfs/dbraw/zinc/84/87/09/544848709.db2.gz XGCPXLCSUVLNIE-NNZMDNLPSA-N 1 3 300.446 2.544 20 0 DFADHO Cc1n[nH]cc1[C@@H](C)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000679340285 544837307 /nfs/dbraw/zinc/83/73/07/544837307.db2.gz QNSHSRQTMVLTSN-CQSZACIVSA-N 1 3 316.449 2.552 20 0 DFADHO CC(C)(CO)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000679720573 544905726 /nfs/dbraw/zinc/90/57/26/544905726.db2.gz CMUXHTYFFGSQOB-CEXWTWQISA-N 1 3 316.489 2.895 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000680148597 544963623 /nfs/dbraw/zinc/96/36/23/544963623.db2.gz FFXSDCGEOJXPLE-RBUKOAKNSA-N 1 3 318.461 2.674 20 0 DFADHO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(OCCN(C)C)cc2)CCO1 ZINC000680142045 544963918 /nfs/dbraw/zinc/96/39/18/544963918.db2.gz QXKXRNAIVBZDKT-IAGOWNOFSA-N 1 3 320.477 2.922 20 0 DFADHO CC(C)N(C)CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000063465151 425900665 /nfs/dbraw/zinc/90/06/65/425900665.db2.gz IYJFNVMUKOVDES-UHFFFAOYSA-N 1 3 317.477 2.629 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2F)CC1 ZINC000155578768 425921665 /nfs/dbraw/zinc/92/16/65/425921665.db2.gz HHOCTJWDZYZDKL-HUUCEWRRSA-N 1 3 323.456 2.511 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CCC3(CCCCC3)CC2)CC1 ZINC000102410879 425920219 /nfs/dbraw/zinc/92/02/19/425920219.db2.gz CQEUHPCPVOHDFQ-UHFFFAOYSA-N 1 3 321.509 2.633 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000124487248 425922348 /nfs/dbraw/zinc/92/23/48/425922348.db2.gz ARRADPMDIJOXLM-MSOLQXFVSA-N 1 3 323.525 2.735 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000124487248 425922352 /nfs/dbraw/zinc/92/23/52/425922352.db2.gz ARRADPMDIJOXLM-MSOLQXFVSA-N 1 3 323.525 2.735 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000155663553 425923636 /nfs/dbraw/zinc/92/36/36/425923636.db2.gz ILAPZEAUFIEXFX-YOEHRIQHSA-N 1 3 305.466 2.516 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000155663553 425923639 /nfs/dbraw/zinc/92/36/39/425923639.db2.gz ILAPZEAUFIEXFX-YOEHRIQHSA-N 1 3 305.466 2.516 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000155881771 425928887 /nfs/dbraw/zinc/92/88/87/425928887.db2.gz FPYSHBNHKWMLBI-MRXNPFEDSA-N 1 3 319.493 2.989 20 0 DFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC000155921580 425929763 /nfs/dbraw/zinc/92/97/63/425929763.db2.gz GAFYSYDFSYTJDD-JKSUJKDBSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC000155921580 425929765 /nfs/dbraw/zinc/92/97/65/425929765.db2.gz GAFYSYDFSYTJDD-JKSUJKDBSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000156382835 425933091 /nfs/dbraw/zinc/93/30/91/425933091.db2.gz YACARTPGUBLAPN-SFHVURJKSA-N 1 3 321.509 2.773 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000044292220 425856128 /nfs/dbraw/zinc/85/61/28/425856128.db2.gz ORLFFCJFLYQTHZ-UHFFFAOYSA-N 1 3 318.465 2.743 20 0 DFADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCC1(C)C)c1ccccc1 ZINC000191852496 268016812 /nfs/dbraw/zinc/01/68/12/268016812.db2.gz MQKUJQSHVGOYTC-IAGOWNOFSA-N 1 3 317.477 2.574 20 0 DFADHO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000268853594 268185880 /nfs/dbraw/zinc/18/58/80/268185880.db2.gz QIQNZJXZPPPASI-AEFFLSMTSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@@H]([NH2+]CCc1ccncc1)c1ccc(OCCN(C)C)cc1 ZINC000269030935 268188341 /nfs/dbraw/zinc/18/83/41/268188341.db2.gz UKYJINBSPLNBKD-MRXNPFEDSA-N 1 3 313.445 2.915 20 0 DFADHO C[C@@H]1CN(C2CC2)CC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000298083748 268312838 /nfs/dbraw/zinc/31/28/38/268312838.db2.gz MEIYIVKJVPAAQU-YLJYHZDGSA-N 1 3 313.489 2.677 20 0 DFADHO C[C@@H]1CN(C2CC2)CC[N@H+]([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000298083748 268312840 /nfs/dbraw/zinc/31/28/40/268312840.db2.gz MEIYIVKJVPAAQU-YLJYHZDGSA-N 1 3 313.489 2.677 20 0 DFADHO CCC[NH+]1CCC(N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000309834704 268336132 /nfs/dbraw/zinc/33/61/32/268336132.db2.gz UDHWQCYTFAPAMZ-UONOGXRCSA-N 1 3 313.486 2.752 20 0 DFADHO Cc1ccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000320836811 268348326 /nfs/dbraw/zinc/34/83/26/268348326.db2.gz GKVCHCIOYRMRAQ-OKILXGFUSA-N 1 3 321.852 2.518 20 0 DFADHO c1ccc2c(c1)CCN2CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000321004982 268348541 /nfs/dbraw/zinc/34/85/41/268348541.db2.gz RDXMDBFMWFKFJL-GUDVDZBRSA-N 1 3 313.489 2.950 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000322857581 268349250 /nfs/dbraw/zinc/34/92/50/268349250.db2.gz SXWNLRVYHIJRAV-CQSZACIVSA-N 1 3 318.461 2.840 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000322857579 268349464 /nfs/dbraw/zinc/34/94/64/268349464.db2.gz SXWNLRVYHIJRAV-AWEZNQCLSA-N 1 3 318.461 2.840 20 0 DFADHO CC[C@@H](C(=O)NC[C@@H](c1ccsc1)N(CC)CC)[NH+](C)C ZINC000124790231 425938863 /nfs/dbraw/zinc/93/88/63/425938863.db2.gz MNWOXFUCLJDKOC-GJZGRUSLSA-N 1 3 311.495 2.587 20 0 DFADHO Cn1cncc1C[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC000107318886 425988986 /nfs/dbraw/zinc/98/89/86/425988986.db2.gz GMADZAALNSCQKI-UHFFFAOYSA-N 1 3 316.424 2.561 20 0 DFADHO COC(=O)CCCN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158844159 425948275 /nfs/dbraw/zinc/94/82/75/425948275.db2.gz HJIPAXNXWIRLRU-INIZCTEOSA-N 1 3 310.482 2.916 20 0 DFADHO COC(=O)CCCN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158844159 425948278 /nfs/dbraw/zinc/94/82/78/425948278.db2.gz HJIPAXNXWIRLRU-INIZCTEOSA-N 1 3 310.482 2.916 20 0 DFADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)N(C)C ZINC000158971310 425951382 /nfs/dbraw/zinc/95/13/82/425951382.db2.gz WTTBMLOZKOXUAE-LZWOXQAQSA-N 1 3 323.506 2.587 20 0 DFADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N(C)C ZINC000158971310 425951383 /nfs/dbraw/zinc/95/13/83/425951383.db2.gz WTTBMLOZKOXUAE-LZWOXQAQSA-N 1 3 323.506 2.587 20 0 DFADHO CCc1cc(N2CCN(C[C@H](O)CC)CC2)c2ccccc2[nH+]1 ZINC000125268066 425962193 /nfs/dbraw/zinc/96/21/93/425962193.db2.gz LAPYEORUPTZOAT-MRXNPFEDSA-N 1 3 313.445 2.690 20 0 DFADHO CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)N(C)C ZINC000106432339 425973118 /nfs/dbraw/zinc/97/31/18/425973118.db2.gz UOKQRWIQHCDNOQ-SFHVURJKSA-N 1 3 319.493 2.729 20 0 DFADHO CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)N(C)C ZINC000106432339 425973120 /nfs/dbraw/zinc/97/31/20/425973120.db2.gz UOKQRWIQHCDNOQ-SFHVURJKSA-N 1 3 319.493 2.729 20 0 DFADHO CCC[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)N(C)C ZINC000161611972 426032262 /nfs/dbraw/zinc/03/22/62/426032262.db2.gz IVYOYCGLSIBJEK-SFHVURJKSA-N 1 3 319.493 2.873 20 0 DFADHO CCC[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)N(C)C ZINC000161611972 426032266 /nfs/dbraw/zinc/03/22/66/426032266.db2.gz IVYOYCGLSIBJEK-SFHVURJKSA-N 1 3 319.493 2.873 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1CC1 ZINC000126742574 426034887 /nfs/dbraw/zinc/03/48/87/426034887.db2.gz FYYQKQONPVAQDA-IBGZPJMESA-N 1 3 301.478 2.712 20 0 DFADHO C(C1CCCC1)N1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161747475 426038066 /nfs/dbraw/zinc/03/80/66/426038066.db2.gz YJYQEVVANVIUBO-UHFFFAOYSA-N 1 3 322.493 2.916 20 0 DFADHO Cc1nccn1CCCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000161979910 426048199 /nfs/dbraw/zinc/04/81/99/426048199.db2.gz BHSMQNZZOFSJLO-GOSISDBHSA-N 1 3 304.482 2.922 20 0 DFADHO CC[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cnn(C)c1 ZINC000162534434 426068382 /nfs/dbraw/zinc/06/83/82/426068382.db2.gz LAVMJAUKTVZONB-GOSISDBHSA-N 1 3 316.449 2.601 20 0 DFADHO CCCN1CCC([NH2+][C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000126326788 426014954 /nfs/dbraw/zinc/01/49/54/426014954.db2.gz FTEAMVZNFOZNKV-QGZVFWFLSA-N 1 3 303.494 2.971 20 0 DFADHO CCC[NH+]1CCC(N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000126326788 426014957 /nfs/dbraw/zinc/01/49/57/426014957.db2.gz FTEAMVZNFOZNKV-QGZVFWFLSA-N 1 3 303.494 2.971 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)C1 ZINC000163223504 426093140 /nfs/dbraw/zinc/09/31/40/426093140.db2.gz DZPXPUAGGRHCAQ-WMLDXEAASA-N 1 3 304.434 2.840 20 0 DFADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1ccccc1Cl ZINC000128471943 426119100 /nfs/dbraw/zinc/11/91/00/426119100.db2.gz OBFSIZCQEHKSOW-CQSZACIVSA-N 1 3 311.857 2.974 20 0 DFADHO CC1CC[NH+](C[C@@H]2CCCN(CCN3CCCCC3)C2)CC1 ZINC000077173388 426121509 /nfs/dbraw/zinc/12/15/09/426121509.db2.gz JGYFFKWWPDWDJV-LJQANCHMSA-N 1 3 307.526 2.916 20 0 DFADHO CC[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@H]1CCOC1 ZINC000165330305 426121899 /nfs/dbraw/zinc/12/18/99/426121899.db2.gz IYWKNFMDDTWMDR-UFYCRDLUSA-N 1 3 316.489 2.956 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@H]1CCOC1 ZINC000165299021 426121930 /nfs/dbraw/zinc/12/19/30/426121930.db2.gz NADBBPJWJOTMEA-WDSOQIARSA-N 1 3 302.462 2.566 20 0 DFADHO COC[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C(C)C ZINC000165329925 426122591 /nfs/dbraw/zinc/12/25/91/426122591.db2.gz IDLCDQKPUQEHLV-MOPGFXCFSA-N 1 3 304.478 2.812 20 0 DFADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000128720305 426130750 /nfs/dbraw/zinc/13/07/50/426130750.db2.gz ATSNCFSQZYBDEL-BEFAXECRSA-N 1 3 319.468 2.676 20 0 DFADHO C[C@H](C(=O)N[C@H](CN(C)C)c1ccccc1)[NH+]1CCCCCC1 ZINC000114227389 426130805 /nfs/dbraw/zinc/13/08/05/426130805.db2.gz LEOBCSVKPRILAK-SJLPKXTDSA-N 1 3 317.477 2.670 20 0 DFADHO CC(C)[NH2+]CCC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000167792096 426133620 /nfs/dbraw/zinc/13/36/20/426133620.db2.gz YWZIGVIZZVASDK-INIZCTEOSA-N 1 3 317.477 2.716 20 0 DFADHO COCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000167635575 426133715 /nfs/dbraw/zinc/13/37/15/426133715.db2.gz GBOUKCCCKFIMDE-LZLYRXPVSA-N 1 3 320.477 2.839 20 0 DFADHO CN(C)C[C@@H]1CC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000114479358 426137213 /nfs/dbraw/zinc/13/72/13/426137213.db2.gz VPSFBDKUZSRMHO-HNNXBMFYSA-N 1 3 314.433 2.553 20 0 DFADHO CN(C)C[C@@H]1CC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000114479358 426137216 /nfs/dbraw/zinc/13/72/16/426137216.db2.gz VPSFBDKUZSRMHO-HNNXBMFYSA-N 1 3 314.433 2.553 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)N2CCCC2)CCN1C ZINC000134068224 426185331 /nfs/dbraw/zinc/18/53/31/426185331.db2.gz JRHBUOZBHDNCLJ-QRQLOZEOSA-N 1 3 301.478 2.896 20 0 DFADHO C[NH+]1CCC(CCNCc2cn3cc(Cl)ccc3n2)CC1 ZINC000134605230 426190235 /nfs/dbraw/zinc/19/02/35/426190235.db2.gz ULUYMRJVXLVKTA-UHFFFAOYSA-N 1 3 306.841 2.809 20 0 DFADHO C[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000172413037 426226200 /nfs/dbraw/zinc/22/62/00/426226200.db2.gz MTQUGIPSIXHTBX-BBWFWOEESA-N 1 3 321.509 2.725 20 0 DFADHO C[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000172413037 426226204 /nfs/dbraw/zinc/22/62/04/426226204.db2.gz MTQUGIPSIXHTBX-BBWFWOEESA-N 1 3 321.509 2.725 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000151042208 426274039 /nfs/dbraw/zinc/27/40/39/426274039.db2.gz AFPGZNNXZCTOLM-INMHGKMJSA-N 1 3 302.466 2.500 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000151042314 426274059 /nfs/dbraw/zinc/27/40/59/426274059.db2.gz AFPGZNNXZCTOLM-BFYDXBDKSA-N 1 3 302.466 2.500 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000118780867 426244226 /nfs/dbraw/zinc/24/42/26/426244226.db2.gz OLJGBZCXOWPGJT-MRXNPFEDSA-N 1 3 309.498 2.632 20 0 DFADHO CC[N@@H+]1CC[C@@H](NC[C@@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000118962614 426251930 /nfs/dbraw/zinc/25/19/30/426251930.db2.gz PQIPJPJESQSSIA-QRQLOZEOSA-N 1 3 303.494 2.918 20 0 DFADHO CC[N@H+]1CC[C@@H](NC[C@@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000118962614 426251933 /nfs/dbraw/zinc/25/19/33/426251933.db2.gz PQIPJPJESQSSIA-QRQLOZEOSA-N 1 3 303.494 2.918 20 0 DFADHO CCN1CC[C@@H]([NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000118962614 426251935 /nfs/dbraw/zinc/25/19/35/426251935.db2.gz PQIPJPJESQSSIA-QRQLOZEOSA-N 1 3 303.494 2.918 20 0 DFADHO CN(Cc1ccc(Br)s1)CC1CC[NH2+]CC1 ZINC000086701756 426259834 /nfs/dbraw/zinc/25/98/34/426259834.db2.gz PCCYESYQLYLALN-UHFFFAOYSA-N 1 3 303.269 2.942 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000119444225 426288547 /nfs/dbraw/zinc/28/85/47/426288547.db2.gz JTFUWGZYRICGLO-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000119444225 426288549 /nfs/dbraw/zinc/28/85/49/426288549.db2.gz JTFUWGZYRICGLO-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]([NH2+]CCc1ccccn1)c1ccc(OCCN(C)C)cc1 ZINC000151382125 426292161 /nfs/dbraw/zinc/29/21/61/426292161.db2.gz IQHQDYFDBPUQFH-MRXNPFEDSA-N 1 3 313.445 2.915 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000151559733 426302166 /nfs/dbraw/zinc/30/21/66/426302166.db2.gz LQORDIONKPNZNO-AFYVEPGGSA-N 1 3 313.489 2.723 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000151559733 426302168 /nfs/dbraw/zinc/30/21/68/426302168.db2.gz LQORDIONKPNZNO-AFYVEPGGSA-N 1 3 313.489 2.723 20 0 DFADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC000151943995 426319951 /nfs/dbraw/zinc/31/99/51/426319951.db2.gz NETFAILIECMIIS-SJORKVTESA-N 1 3 305.466 2.512 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000121234301 426327882 /nfs/dbraw/zinc/32/78/82/426327882.db2.gz WOVZUGXDNJEFTM-MBOZVWFJSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@@H]1C[C@H](NCCc2nc(C(F)(F)F)cs2)CC[N@@H+]1C ZINC000152192747 426331452 /nfs/dbraw/zinc/33/14/52/426331452.db2.gz GEFFGBOPBIWHRA-NXEZZACHSA-N 1 3 307.385 2.777 20 0 DFADHO C[C@@H]1C[C@H](NCCc2nc(C(F)(F)F)cs2)CC[N@H+]1C ZINC000152192747 426331455 /nfs/dbraw/zinc/33/14/55/426331455.db2.gz GEFFGBOPBIWHRA-NXEZZACHSA-N 1 3 307.385 2.777 20 0 DFADHO CC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cnn(C)c1 ZINC000089214881 426282815 /nfs/dbraw/zinc/28/28/15/426282815.db2.gz IQZMKTXTSLOAIK-GOSISDBHSA-N 1 3 313.449 2.772 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000152596486 426347896 /nfs/dbraw/zinc/34/78/96/426347896.db2.gz PQKLVWATHFSVCJ-GJYPPUQNSA-N 1 3 312.461 2.750 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)N(C)CCN(C)C)cc1)C(C)C ZINC000176385274 426376537 /nfs/dbraw/zinc/37/65/37/426376537.db2.gz XNZJQKZNDNFQSM-UHFFFAOYSA-N 1 3 305.466 2.551 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)N(C)CCN(C)C)cc1)C(C)C ZINC000176385274 426376538 /nfs/dbraw/zinc/37/65/38/426376538.db2.gz XNZJQKZNDNFQSM-UHFFFAOYSA-N 1 3 305.466 2.551 20 0 DFADHO CCc1nccn1[C@H]1CCC[N@H+](CCN2CCC(C)CC2)C1 ZINC000153841601 426409255 /nfs/dbraw/zinc/40/92/55/426409255.db2.gz GZIFSBVSDKYBOP-KRWDZBQOSA-N 1 3 304.482 2.814 20 0 DFADHO CCc1nccn1[C@H]1CCC[N@@H+](CCN2CCC(C)CC2)C1 ZINC000153841601 426409258 /nfs/dbraw/zinc/40/92/58/426409258.db2.gz GZIFSBVSDKYBOP-KRWDZBQOSA-N 1 3 304.482 2.814 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000154251307 426432662 /nfs/dbraw/zinc/43/26/62/426432662.db2.gz MGPJJMNLXRTRJA-HNNXBMFYSA-N 1 3 323.456 2.513 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000154282856 426433989 /nfs/dbraw/zinc/43/39/89/426433989.db2.gz QZRSOVXZNRGLRN-AWEZNQCLSA-N 1 3 311.420 2.643 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000154315452 426436113 /nfs/dbraw/zinc/43/61/13/426436113.db2.gz ZSTJAFBNLUSOSD-GOSISDBHSA-N 1 3 321.896 2.945 20 0 DFADHO C[C@H]1C[C@@H](NCc2cc(N(C)C)nc3ccccc23)CC[N@@H+]1C ZINC000154446217 426440179 /nfs/dbraw/zinc/44/01/79/426440179.db2.gz ODDMOTGIXNMWFN-HOCLYGCPSA-N 1 3 312.461 2.873 20 0 DFADHO C[C@H]1C[C@@H](NCc2cc(N(C)C)nc3ccccc23)CC[N@H+]1C ZINC000154446217 426440181 /nfs/dbraw/zinc/44/01/81/426440181.db2.gz ODDMOTGIXNMWFN-HOCLYGCPSA-N 1 3 312.461 2.873 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000154468921 426441149 /nfs/dbraw/zinc/44/11/49/426441149.db2.gz MODJDXICIMUSJH-IBGZPJMESA-N 1 3 301.478 2.681 20 0 DFADHO CC(C)n1cc2c(n1)C[C@H](NC1CC[NH+](C(C)C)CC1)CC2 ZINC000341280187 269059079 /nfs/dbraw/zinc/05/90/79/269059079.db2.gz MYQQAAOJJNIFMD-QGZVFWFLSA-N 1 3 304.482 2.784 20 0 DFADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000177228778 426457247 /nfs/dbraw/zinc/45/72/47/426457247.db2.gz ABRMGLHUKIZDPG-SFHVURJKSA-N 1 3 315.505 2.973 20 0 DFADHO C[C@@H](c1ccccn1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000177362162 426471847 /nfs/dbraw/zinc/47/18/47/426471847.db2.gz IBTWJGKQAUPHFA-INIZCTEOSA-N 1 3 303.450 2.719 20 0 DFADHO CN(C)Cc1cccc(C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000155505565 426473600 /nfs/dbraw/zinc/47/36/00/426473600.db2.gz QGHBEJOLRUTDPV-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO C[C@@H](c1ccc(F)cc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000177378457 426474310 /nfs/dbraw/zinc/47/43/10/426474310.db2.gz LEOPSXCVEMBJOP-HNNXBMFYSA-N 1 3 307.457 2.845 20 0 DFADHO C[C@@H](c1ccc(F)cc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177378457 426474312 /nfs/dbraw/zinc/47/43/12/426474312.db2.gz LEOPSXCVEMBJOP-HNNXBMFYSA-N 1 3 307.457 2.845 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c(OC)c1 ZINC000124376449 426482422 /nfs/dbraw/zinc/48/24/22/426482422.db2.gz UNPYQEHDVARDOD-KGLIPLIRSA-N 1 3 304.434 2.839 20 0 DFADHO CN(CCC1CCCCC1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000101565590 426484672 /nfs/dbraw/zinc/48/46/72/426484672.db2.gz RXXQCRWWKPPEDM-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]([NH2+]CCN1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272457489 426529407 /nfs/dbraw/zinc/52/94/07/426529407.db2.gz KARUTJLZOPQVBJ-PKOBYXMFSA-N 1 3 301.478 2.582 20 0 DFADHO C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000186486742 426538096 /nfs/dbraw/zinc/53/80/96/426538096.db2.gz XFHINIAMCYTREJ-INIZCTEOSA-N 1 3 320.477 2.830 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1)C(C)C ZINC000272511201 426544483 /nfs/dbraw/zinc/54/44/83/426544483.db2.gz GHDHFBZUBDPYHB-JKSUJKDBSA-N 1 3 317.477 2.739 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1)C(C)C ZINC000272511201 426544489 /nfs/dbraw/zinc/54/44/89/426544489.db2.gz GHDHFBZUBDPYHB-JKSUJKDBSA-N 1 3 317.477 2.739 20 0 DFADHO CCN1CCN([C@@H]2CCN(c3cc(C)[nH+]c4ccccc43)C2)CC1 ZINC000264419801 426548667 /nfs/dbraw/zinc/54/86/67/426548667.db2.gz QSRNCGRPJQQEQK-QGZVFWFLSA-N 1 3 324.472 2.759 20 0 DFADHO CCSCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177508095 426490336 /nfs/dbraw/zinc/49/03/36/426490336.db2.gz NXLWLYRZXAIVMR-IYBDPMFKSA-N 1 3 314.539 2.951 20 0 DFADHO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000178114337 426573872 /nfs/dbraw/zinc/57/38/72/426573872.db2.gz CUDYHRCJGYGUDJ-MAUKXSAKSA-N 1 3 308.466 2.685 20 0 DFADHO CCN(CC)C(=O)C[C@@H](C)NC1CC[NH+](CC2CCCC2)CC1 ZINC000178159982 426580225 /nfs/dbraw/zinc/58/02/25/426580225.db2.gz USZKOMLMHJPQBV-MRXNPFEDSA-N 1 3 323.525 2.878 20 0 DFADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000178159982 426580229 /nfs/dbraw/zinc/58/02/29/426580229.db2.gz USZKOMLMHJPQBV-MRXNPFEDSA-N 1 3 323.525 2.878 20 0 DFADHO Cn1cc(CNCC2=CC[N@H+](C)CC2)c(C2CCCCC2)n1 ZINC000273035794 426580541 /nfs/dbraw/zinc/58/05/41/426580541.db2.gz HEWMOSGEHQOHFB-UHFFFAOYSA-N 1 3 302.466 2.819 20 0 DFADHO Cn1cc(CNCC2=CC[N@@H+](C)CC2)c(C2CCCCC2)n1 ZINC000273035794 426580545 /nfs/dbraw/zinc/58/05/45/426580545.db2.gz HEWMOSGEHQOHFB-UHFFFAOYSA-N 1 3 302.466 2.819 20 0 DFADHO CN1CCC(O)(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000273193330 426613652 /nfs/dbraw/zinc/61/36/52/426613652.db2.gz QDWFAFVVSBFGDM-UHFFFAOYSA-N 1 3 308.853 2.632 20 0 DFADHO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1cccc(OCCN(C)C)c1 ZINC000187285217 426645819 /nfs/dbraw/zinc/64/58/19/426645819.db2.gz XMZSJVGRZLZCBZ-JEDBISTDSA-N 1 3 318.461 2.845 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(OC)c(O)c(OC)c2)[C@H](C)C1 ZINC000290159774 426707224 /nfs/dbraw/zinc/70/72/24/426707224.db2.gz XIAJYXIPHPHKTP-UKRRQHHQSA-N 1 3 322.449 2.572 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(O)c(OC)c2)[C@H](C)C1 ZINC000290159774 426707230 /nfs/dbraw/zinc/70/72/30/426707230.db2.gz XIAJYXIPHPHKTP-UKRRQHHQSA-N 1 3 322.449 2.572 20 0 DFADHO [NH3+]Cc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000237972138 426700908 /nfs/dbraw/zinc/70/09/08/426700908.db2.gz HMIVYXREFMDOIV-LJQANCHMSA-N 1 3 323.440 2.540 20 0 DFADHO [NH3+]CCCCCCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000237981497 426701733 /nfs/dbraw/zinc/70/17/33/426701733.db2.gz NGSBTWCNXLDFMC-UHFFFAOYSA-N 1 3 317.477 2.676 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000290444164 426767112 /nfs/dbraw/zinc/76/71/12/426767112.db2.gz VRAKIBNEROBLGI-NZSAHSFTSA-N 1 3 301.478 2.723 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000290444164 426767117 /nfs/dbraw/zinc/76/71/17/426767117.db2.gz VRAKIBNEROBLGI-NZSAHSFTSA-N 1 3 301.478 2.723 20 0 DFADHO C[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000266933945 426798798 /nfs/dbraw/zinc/79/87/98/426798798.db2.gz NNPVIROSGFIBLZ-QLFBSQMISA-N 1 3 303.450 2.948 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000246098137 426799142 /nfs/dbraw/zinc/79/91/42/426799142.db2.gz ANEAPTVAYOFASP-ZIFCJYIRSA-N 1 3 324.509 2.767 20 0 DFADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]C1CCN(C)CC1 ZINC000266977362 426807298 /nfs/dbraw/zinc/80/72/98/426807298.db2.gz RIWPJEHUGXINDF-UHFFFAOYSA-N 1 3 303.494 2.828 20 0 DFADHO CCOC(=O)c1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000290628879 426808320 /nfs/dbraw/zinc/80/83/20/426808320.db2.gz XUEALSNEKQMBTI-HNNXBMFYSA-N 1 3 320.433 2.620 20 0 DFADHO C[N@H+](CCO)C1CCN([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000275785444 426918293 /nfs/dbraw/zinc/91/82/93/426918293.db2.gz YCJHPMHHBWABET-UXHICEINSA-N 1 3 316.489 2.885 20 0 DFADHO C[N@@H+](CCO)C1CCN([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000275785444 426918300 /nfs/dbraw/zinc/91/83/00/426918300.db2.gz YCJHPMHHBWABET-UXHICEINSA-N 1 3 316.489 2.885 20 0 DFADHO C[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000275786278 426918483 /nfs/dbraw/zinc/91/84/83/426918483.db2.gz IMRSDZMNPPACIW-BZUAXINKSA-N 1 3 317.477 2.991 20 0 DFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@H](C)c1ccccc1 ZINC000282237960 426861461 /nfs/dbraw/zinc/86/14/61/426861461.db2.gz IYBCASZMQNVFGD-IAGOWNOFSA-N 1 3 303.494 2.794 20 0 DFADHO C[C@@H](CC(N)=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000267289604 426863750 /nfs/dbraw/zinc/86/37/50/426863750.db2.gz XLYHCHZCHOPJRQ-OAGGEKHMSA-N 1 3 317.477 2.518 20 0 DFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccccc1CCN(C)C ZINC000275570366 426872705 /nfs/dbraw/zinc/87/27/05/426872705.db2.gz CLDCAFMTWYRPRH-OAHLLOKOSA-N 1 3 320.481 2.643 20 0 DFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1CCN(C)C ZINC000275570366 426872708 /nfs/dbraw/zinc/87/27/08/426872708.db2.gz CLDCAFMTWYRPRH-OAHLLOKOSA-N 1 3 320.481 2.643 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000267545280 426881800 /nfs/dbraw/zinc/88/18/00/426881800.db2.gz BLCKTJUHIJCRCQ-APWZRJJASA-N 1 3 301.478 2.723 20 0 DFADHO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccccc1CCN(C)C ZINC000275651510 426886050 /nfs/dbraw/zinc/88/60/50/426886050.db2.gz MXDSDKZSUHMITG-OAHLLOKOSA-N 1 3 320.481 2.643 20 0 DFADHO CCN(CCN[C@H]1CC[N@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000246971211 426886386 /nfs/dbraw/zinc/88/63/86/426886386.db2.gz JLGNAWJGALMVGR-GJZGRUSLSA-N 1 3 313.486 2.563 20 0 DFADHO CCN(CCN[C@H]1CC[N@@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000246971211 426886392 /nfs/dbraw/zinc/88/63/92/426886392.db2.gz JLGNAWJGALMVGR-GJZGRUSLSA-N 1 3 313.486 2.563 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)[C@@H]1CCc2ccc(F)cc21 ZINC000180963211 426900191 /nfs/dbraw/zinc/90/01/91/426900191.db2.gz LCYRYZNIVLDEBL-LJQANCHMSA-N 1 3 319.468 2.771 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)[C@@H]1CCc2ccc(F)cc21 ZINC000180963211 426900200 /nfs/dbraw/zinc/90/02/00/426900200.db2.gz LCYRYZNIVLDEBL-LJQANCHMSA-N 1 3 319.468 2.771 20 0 DFADHO CN(C/C=C/C[N@H+](C)CCc1ccncc1)CCc1ccncc1 ZINC000181458545 426951653 /nfs/dbraw/zinc/95/16/53/426951653.db2.gz UFIJAEVLKLWHFE-ONEGZZNKSA-N 1 3 324.472 2.682 20 0 DFADHO CN(C/C=C/C[N@@H+](C)CCc1ccncc1)CCc1ccncc1 ZINC000181458545 426951662 /nfs/dbraw/zinc/95/16/62/426951662.db2.gz UFIJAEVLKLWHFE-ONEGZZNKSA-N 1 3 324.472 2.682 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)CN(C)C ZINC000291804127 426994131 /nfs/dbraw/zinc/99/41/31/426994131.db2.gz XOJKIZCGURWZFA-ZHALLVOQSA-N 1 3 303.494 2.827 20 0 DFADHO Cc1cncc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000189862457 426966752 /nfs/dbraw/zinc/96/67/52/426966752.db2.gz UBIFJVDPYFYLHJ-IRXDYDNUSA-N 1 3 317.477 2.711 20 0 DFADHO Cc1cncc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000189862437 426966819 /nfs/dbraw/zinc/96/68/19/426966819.db2.gz UBIFJVDPYFYLHJ-IAGOWNOFSA-N 1 3 317.477 2.711 20 0 DFADHO C[C@H](NCCOCC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276158737 426995254 /nfs/dbraw/zinc/99/52/54/426995254.db2.gz CYODOKXKDAISDP-HOCLYGCPSA-N 1 3 312.404 2.768 20 0 DFADHO C[C@H](NCCOCC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276158737 426995258 /nfs/dbraw/zinc/99/52/58/426995258.db2.gz CYODOKXKDAISDP-HOCLYGCPSA-N 1 3 312.404 2.768 20 0 DFADHO CCC[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC)N(C)C ZINC000337950637 427056536 /nfs/dbraw/zinc/05/65/36/427056536.db2.gz ZXCACDOZWZFEFV-ROUUACIJSA-N 1 3 319.493 2.916 20 0 DFADHO CC(C)Oc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000268398482 427005655 /nfs/dbraw/zinc/00/56/55/427005655.db2.gz AYTFNXVFGAIUPQ-UHFFFAOYSA-N 1 3 320.477 2.799 20 0 DFADHO C[C@H](Cn1cccn1)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000337899889 427026148 /nfs/dbraw/zinc/02/61/48/427026148.db2.gz PACLQJRGFSWMBI-JFIYKMOQSA-N 1 3 304.482 2.904 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000337899889 427026154 /nfs/dbraw/zinc/02/61/54/427026154.db2.gz PACLQJRGFSWMBI-JFIYKMOQSA-N 1 3 304.482 2.904 20 0 DFADHO C(C1CCC2(CC1)OCCO2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000190243052 427051646 /nfs/dbraw/zinc/05/16/46/427051646.db2.gz NUIBAFCCFOVMMS-SFHVURJKSA-N 1 3 322.493 2.870 20 0 DFADHO C[C@@H](CCCC[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000292039221 427066910 /nfs/dbraw/zinc/06/69/10/427066910.db2.gz HYRGEAKMKPXDAV-INIZCTEOSA-N 1 3 317.477 2.532 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337989180 427077571 /nfs/dbraw/zinc/07/75/71/427077571.db2.gz LGQCLGGZLPKILB-MSOLQXFVSA-N 1 3 313.505 2.912 20 0 DFADHO CCN(Cc1ccc(C(=O)NCC[NH+](CC)CC)cc1)C1CC1 ZINC000338020230 427095191 /nfs/dbraw/zinc/09/51/91/427095191.db2.gz OEAMEPNKPABHCU-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CC(C)NC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268736313 427104876 /nfs/dbraw/zinc/10/48/76/427104876.db2.gz BQYWMOHNGTVPMM-FUHWJXTLSA-N 1 3 317.477 2.544 20 0 DFADHO CC(C)NC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268736313 427104882 /nfs/dbraw/zinc/10/48/82/427104882.db2.gz BQYWMOHNGTVPMM-FUHWJXTLSA-N 1 3 317.477 2.544 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCCc2c(O)cccc21 ZINC000283949859 427104874 /nfs/dbraw/zinc/10/48/74/427104874.db2.gz FRPVXAWRQZFGEB-PBHICJAKSA-N 1 3 306.450 2.716 20 0 DFADHO CCN(CC)CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268734913 427106063 /nfs/dbraw/zinc/10/60/63/427106063.db2.gz VHTOMYASTFDZLX-HKUYNNGSSA-N 1 3 303.494 2.828 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000268806945 427123253 /nfs/dbraw/zinc/12/32/53/427123253.db2.gz JJORCPZLSBTCII-LJQANCHMSA-N 1 3 319.468 2.820 20 0 DFADHO COc1ccsc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000268813355 427125840 /nfs/dbraw/zinc/12/58/40/427125840.db2.gz UTQLWLBHRAZWEW-KBPBESRZSA-N 1 3 312.479 2.736 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000292205755 427132770 /nfs/dbraw/zinc/13/27/70/427132770.db2.gz PPMMYJRUMKHTMD-UHFFFAOYSA-N 1 3 303.450 2.727 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000268876764 427139169 /nfs/dbraw/zinc/13/91/69/427139169.db2.gz IYVWDGMMYJXDNR-UMGGQSCQSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H](CCCCO)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000296297932 427140541 /nfs/dbraw/zinc/14/05/41/427140541.db2.gz FULSVEBKMHDAQF-HZPDHXFCSA-N 1 3 308.466 2.829 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000296349903 427152923 /nfs/dbraw/zinc/15/29/23/427152923.db2.gz IXUGWIYCNCXDPX-UKRRQHHQSA-N 1 3 311.495 2.635 20 0 DFADHO C[C@H]([NH2+]CCC(C)(C)CO)c1ccc(OCCN(C)C)cc1 ZINC000296359385 427159139 /nfs/dbraw/zinc/15/91/39/427159139.db2.gz IQWTYDZVWZYHBH-HNNXBMFYSA-N 1 3 308.466 2.686 20 0 DFADHO CN1CC[C@H](C[N@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000121064980 271017384 /nfs/dbraw/zinc/01/73/84/271017384.db2.gz SSLUBDOYXVYOCA-WFASDCNBSA-N 1 3 316.367 2.622 20 0 DFADHO CN1CC[C@H](C[N@@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000121064980 271017385 /nfs/dbraw/zinc/01/73/85/271017385.db2.gz SSLUBDOYXVYOCA-WFASDCNBSA-N 1 3 316.367 2.622 20 0 DFADHO CN1CCCN(CCC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000251687152 427162113 /nfs/dbraw/zinc/16/21/13/427162113.db2.gz OLIGOXXYXWADSQ-IBGZPJMESA-N 1 3 316.493 2.551 20 0 DFADHO CN(CCCc1cccc(F)c1)CC[N@H+](C)C1CCN(C)CC1 ZINC000182943925 427171805 /nfs/dbraw/zinc/17/18/05/427171805.db2.gz KJHUFCLNMRPQCP-UHFFFAOYSA-N 1 3 321.484 2.716 20 0 DFADHO CN(CCCc1cccc(F)c1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000182943925 427171810 /nfs/dbraw/zinc/17/18/10/427171810.db2.gz KJHUFCLNMRPQCP-UHFFFAOYSA-N 1 3 321.484 2.716 20 0 DFADHO C[C@@H]([NH2+]CCC1(O)CCC1)c1cccc(OCCN(C)C)c1 ZINC000284284968 427171953 /nfs/dbraw/zinc/17/19/53/427171953.db2.gz HUTBPFKWDBVKSV-OAHLLOKOSA-N 1 3 306.450 2.583 20 0 DFADHO CC[C@H](COC)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284285014 427170757 /nfs/dbraw/zinc/17/07/57/427170757.db2.gz HVCAPUFBYLYLOZ-MRXNPFEDSA-N 1 3 306.450 2.674 20 0 DFADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)CC1 ZINC000277337832 427171259 /nfs/dbraw/zinc/17/12/59/427171259.db2.gz VYKXJDTYWNAYSZ-CQSZACIVSA-N 1 3 307.413 2.570 20 0 DFADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)CC1 ZINC000277337832 427171265 /nfs/dbraw/zinc/17/12/65/427171265.db2.gz VYKXJDTYWNAYSZ-CQSZACIVSA-N 1 3 307.413 2.570 20 0 DFADHO O[C@H](CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000252692418 427194150 /nfs/dbraw/zinc/19/41/50/427194150.db2.gz LVKRIKHFMKWDBV-NZSAHSFTSA-N 1 3 300.446 2.669 20 0 DFADHO O[C@H](CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000252692418 427194156 /nfs/dbraw/zinc/19/41/56/427194156.db2.gz LVKRIKHFMKWDBV-NZSAHSFTSA-N 1 3 300.446 2.669 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000183345782 427251213 /nfs/dbraw/zinc/25/12/13/427251213.db2.gz LXXUNFUXYHJLLV-WBVHZDCISA-N 1 3 306.450 2.847 20 0 DFADHO CC(C)OC[C@@H](C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000337348395 271499999 /nfs/dbraw/zinc/49/99/99/271499999.db2.gz YYMUOFBUYOUKIJ-MRXNPFEDSA-N 1 3 320.477 2.546 20 0 DFADHO Cn1cc(CC[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cn1 ZINC000285643792 427299697 /nfs/dbraw/zinc/29/96/97/427299697.db2.gz RXDDNUIXOQFWEQ-HXUWFJFHSA-N 1 3 324.472 2.561 20 0 DFADHO Cn1cc(CC[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cn1 ZINC000285643792 427299703 /nfs/dbraw/zinc/29/97/03/427299703.db2.gz RXDDNUIXOQFWEQ-HXUWFJFHSA-N 1 3 324.472 2.561 20 0 DFADHO CCOC(=O)CC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285655065 427301674 /nfs/dbraw/zinc/30/16/74/427301674.db2.gz SPPWMKBOUGSABW-LJQANCHMSA-N 1 3 316.445 2.538 20 0 DFADHO CCOC(=O)CC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285655065 427301681 /nfs/dbraw/zinc/30/16/81/427301681.db2.gz SPPWMKBOUGSABW-LJQANCHMSA-N 1 3 316.445 2.538 20 0 DFADHO C[C@H]1C[N@H+](CCCNCc2cccc3[nH]ccc32)CCCO1 ZINC000277739074 427302731 /nfs/dbraw/zinc/30/27/31/427302731.db2.gz KARRSUZSFIVDJZ-HNNXBMFYSA-N 1 3 301.434 2.758 20 0 DFADHO C[C@H]1C[N@@H+](CCCNCc2cccc3[nH]ccc32)CCCO1 ZINC000277739074 427302740 /nfs/dbraw/zinc/30/27/40/427302740.db2.gz KARRSUZSFIVDJZ-HNNXBMFYSA-N 1 3 301.434 2.758 20 0 DFADHO C[NH+](C)C1CCN(CCN[C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269931169 427309692 /nfs/dbraw/zinc/30/96/92/427309692.db2.gz PGLXFNCMMKHWJK-QGZVFWFLSA-N 1 3 323.431 2.568 20 0 DFADHO C[C@@H](Cc1cccc(Cl)c1)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000338429143 427315357 /nfs/dbraw/zinc/31/53/57/427315357.db2.gz DHXVMERSEAEWAI-YJBOKZPZSA-N 1 3 324.896 2.953 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191334011 427321034 /nfs/dbraw/zinc/32/10/34/427321034.db2.gz PTKVPPRPNYGNCA-HOCLYGCPSA-N 1 3 324.513 2.954 20 0 DFADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]CCCN(C)C)cc1 ZINC000285762810 427332113 /nfs/dbraw/zinc/33/21/13/427332113.db2.gz SGVVOIULIGBXJQ-IBGZPJMESA-N 1 3 313.445 2.915 20 0 DFADHO CC1(C)Cc2cccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2O1 ZINC000262135735 427353239 /nfs/dbraw/zinc/35/32/39/427353239.db2.gz LXFIAUNRDHWWOW-UAGQMJEPSA-N 1 3 300.446 2.959 20 0 DFADHO CCc1ccccc1CC[NH+]1CCC(N(C)CCCO)CC1 ZINC000277882180 427348318 /nfs/dbraw/zinc/34/83/18/427348318.db2.gz ZHVVXPBFTCESCG-UHFFFAOYSA-N 1 3 304.478 2.570 20 0 DFADHO COC(=O)C(C)(C)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000338563025 427381305 /nfs/dbraw/zinc/38/13/05/427381305.db2.gz HGXCWCDKBIJTOJ-GDBMZVCRSA-N 1 3 308.466 2.524 20 0 DFADHO COC(=O)C(C)(C)CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000338563025 427381314 /nfs/dbraw/zinc/38/13/14/427381314.db2.gz HGXCWCDKBIJTOJ-GDBMZVCRSA-N 1 3 308.466 2.524 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000271049629 427390570 /nfs/dbraw/zinc/39/05/70/427390570.db2.gz WQBUBOKGMJUEEW-OALUTQOASA-N 1 3 302.462 2.744 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000271049629 427390575 /nfs/dbraw/zinc/39/05/75/427390575.db2.gz WQBUBOKGMJUEEW-OALUTQOASA-N 1 3 302.462 2.744 20 0 DFADHO COc1ccc([C@H](C)[NH2+]CC2=CCN(C)CC2)c(C)c1OC ZINC000286014972 427401604 /nfs/dbraw/zinc/40/16/04/427401604.db2.gz IIRJZCGPCQCMRE-AWEZNQCLSA-N 1 3 304.434 2.925 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)ccn1 ZINC000297369440 427402863 /nfs/dbraw/zinc/40/28/63/427402863.db2.gz GKRLWKXPDREDJE-MRXNPFEDSA-N 1 3 301.434 2.742 20 0 DFADHO CC(C)N1CCN(CCC[N@H+](C)CCc2ccc(F)cc2)CC1 ZINC000191459928 427354919 /nfs/dbraw/zinc/35/49/19/427354919.db2.gz YTDWGRUBJSTAOZ-UHFFFAOYSA-N 1 3 321.484 2.716 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+](C)CCc2ccc(F)cc2)CC1 ZINC000191459928 427354925 /nfs/dbraw/zinc/35/49/25/427354925.db2.gz YTDWGRUBJSTAOZ-UHFFFAOYSA-N 1 3 321.484 2.716 20 0 DFADHO CC(C)[NH+]1CCC(N(C)CCN(C)Cc2ccccc2)CC1 ZINC000297229642 427365746 /nfs/dbraw/zinc/36/57/46/427365746.db2.gz TZOWAYFRMASJDX-UHFFFAOYSA-N 1 3 303.494 2.923 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000263263951 427448788 /nfs/dbraw/zinc/44/87/88/427448788.db2.gz RIBIVKJMQGWHNT-ZHALLVOQSA-N 1 3 317.477 2.834 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000263263949 427448879 /nfs/dbraw/zinc/44/88/79/427448879.db2.gz RIBIVKJMQGWHNT-SCTDSRPQSA-N 1 3 317.477 2.834 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1)CN(C)C ZINC000293824265 427450484 /nfs/dbraw/zinc/45/04/84/427450484.db2.gz WGWRKEFWMHSBLK-STQMWFEESA-N 1 3 311.857 2.844 20 0 DFADHO C[C@@H](CN[C@@H](C)CC(=O)Nc1cccc(Cl)c1)C[NH+](C)C ZINC000293824265 427450490 /nfs/dbraw/zinc/45/04/90/427450490.db2.gz WGWRKEFWMHSBLK-STQMWFEESA-N 1 3 311.857 2.844 20 0 DFADHO C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000192088030 427476650 /nfs/dbraw/zinc/47/66/50/427476650.db2.gz GTKIMNUQJQSVSP-RRFJBIMHSA-N 1 3 323.506 2.621 20 0 DFADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297476 427484221 /nfs/dbraw/zinc/48/42/21/427484221.db2.gz WNHZCXDALLDVPZ-CVEARBPZSA-N 1 3 313.449 2.650 20 0 DFADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297476 427484228 /nfs/dbraw/zinc/48/42/28/427484228.db2.gz WNHZCXDALLDVPZ-CVEARBPZSA-N 1 3 313.449 2.650 20 0 DFADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297476 427484234 /nfs/dbraw/zinc/48/42/34/427484234.db2.gz WNHZCXDALLDVPZ-CVEARBPZSA-N 1 3 313.449 2.650 20 0 DFADHO CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000293956457 427502911 /nfs/dbraw/zinc/50/29/11/427502911.db2.gz ZQTRZRFYQBUZLA-ZWKOTPCHSA-N 1 3 302.462 2.708 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](O)c1c(F)cccc1F ZINC000271449049 427540767 /nfs/dbraw/zinc/54/07/67/427540767.db2.gz FKMASLDVUXWQQL-IUPKNAOTSA-N 1 3 312.404 2.849 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](O)c1c(F)cccc1F ZINC000271449049 427540775 /nfs/dbraw/zinc/54/07/75/427540775.db2.gz FKMASLDVUXWQQL-IUPKNAOTSA-N 1 3 312.404 2.849 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc3c(C)nn(C)c3s2)C1 ZINC000287259560 427560499 /nfs/dbraw/zinc/56/04/99/427560499.db2.gz AIULONCJUKTLAJ-STQMWFEESA-N 1 3 306.479 2.936 20 0 DFADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cc3c(C)nn(C)c3s2)C1 ZINC000287259560 427560507 /nfs/dbraw/zinc/56/05/07/427560507.db2.gz AIULONCJUKTLAJ-STQMWFEESA-N 1 3 306.479 2.936 20 0 DFADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc3c(C)nn(C)c3s2)C1 ZINC000287259560 427560514 /nfs/dbraw/zinc/56/05/14/427560514.db2.gz AIULONCJUKTLAJ-STQMWFEESA-N 1 3 306.479 2.936 20 0 DFADHO C[N@H+](CC1CCOCC1)[C@@H]1CCCN(CC2CCOCC2)CC1 ZINC000338938252 427569525 /nfs/dbraw/zinc/56/95/25/427569525.db2.gz ILMHPUHMJRDYAE-LJQANCHMSA-N 1 3 324.509 2.626 20 0 DFADHO C[N@@H+](CC1CCOCC1)[C@@H]1CCCN(CC2CCOCC2)CC1 ZINC000338938252 427569533 /nfs/dbraw/zinc/56/95/33/427569533.db2.gz ILMHPUHMJRDYAE-LJQANCHMSA-N 1 3 324.509 2.626 20 0 DFADHO CN(C)C1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCC1 ZINC000298327897 427573310 /nfs/dbraw/zinc/57/33/10/427573310.db2.gz ISCJKKRXBOMVIC-UHFFFAOYSA-N 1 3 302.466 2.514 20 0 DFADHO CCc1oc(CNC2CCC(C[NH+](C)C)CC2)cc1C(=O)OC ZINC000338940202 427574568 /nfs/dbraw/zinc/57/45/68/427574568.db2.gz VBSOQGHBZSCSAE-UHFFFAOYSA-N 1 3 322.449 2.839 20 0 DFADHO Cc1ccc([C@H](O)C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000294247270 427598594 /nfs/dbraw/zinc/59/85/94/427598594.db2.gz PSMWHMNIHXHSAR-LJQANCHMSA-N 1 3 311.429 2.682 20 0 DFADHO C[C@@H]1[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000287408623 427601327 /nfs/dbraw/zinc/60/13/27/427601327.db2.gz RIHLFEMZNWGQSG-BTHPGYMESA-N 1 3 313.489 2.866 20 0 DFADHO C[C@@H]1[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000287408623 427601334 /nfs/dbraw/zinc/60/13/34/427601334.db2.gz RIHLFEMZNWGQSG-BTHPGYMESA-N 1 3 313.489 2.866 20 0 DFADHO CC(C)N1CCC([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000192927601 427634504 /nfs/dbraw/zinc/63/45/04/427634504.db2.gz JQUHTMCONVBNHY-LJQANCHMSA-N 1 3 315.505 2.971 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000287566183 427640546 /nfs/dbraw/zinc/64/05/46/427640546.db2.gz BLMBBTRRWCEOAC-OLMNPRSZSA-N 1 3 324.896 2.906 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000287566183 427640553 /nfs/dbraw/zinc/64/05/53/427640553.db2.gz BLMBBTRRWCEOAC-OLMNPRSZSA-N 1 3 324.896 2.906 20 0 DFADHO CCC[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cccnc1 ZINC000185366675 427642974 /nfs/dbraw/zinc/64/29/74/427642974.db2.gz FNHBPIQQHYLAGS-GOSISDBHSA-N 1 3 304.482 2.540 20 0 DFADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccncc1OCCN(C)C ZINC000342413695 272007774 /nfs/dbraw/zinc/00/77/74/272007774.db2.gz IWTMZBCFNXLBOV-GOEBONIOSA-N 1 3 305.466 2.936 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)c1ccsc1 ZINC000342765240 272052136 /nfs/dbraw/zinc/05/21/36/272052136.db2.gz MZJUZIVBWAAVRA-NUEKZKHPSA-N 1 3 323.506 2.635 20 0 DFADHO CC(C)(C)N1CCC([NH2+]CCc2ccc3c[nH]nc3c2)CC1 ZINC000342814100 272057113 /nfs/dbraw/zinc/05/71/13/272057113.db2.gz VKEUTYBJTGYPFD-UHFFFAOYSA-N 1 3 300.450 2.958 20 0 DFADHO CC(C)(C)[NH+]1CCC(NCCc2ccc3c[nH]nc3c2)CC1 ZINC000342814100 272057116 /nfs/dbraw/zinc/05/71/16/272057116.db2.gz VKEUTYBJTGYPFD-UHFFFAOYSA-N 1 3 300.450 2.958 20 0 DFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1sccc1Cl ZINC000193097119 427666791 /nfs/dbraw/zinc/66/67/91/427666791.db2.gz RJPQAVCOROYBIP-GFCCVEGCSA-N 1 3 302.871 2.728 20 0 DFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1sccc1Cl ZINC000193097119 427666799 /nfs/dbraw/zinc/66/67/99/427666799.db2.gz RJPQAVCOROYBIP-GFCCVEGCSA-N 1 3 302.871 2.728 20 0 DFADHO CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC(C[NH+](CC)CC)CC1 ZINC000343573122 272173498 /nfs/dbraw/zinc/17/34/98/272173498.db2.gz AWEGAPGNLPKTPP-HZPDHXFCSA-N 1 3 311.514 2.734 20 0 DFADHO O[C@@H](CN1CCC(CCC[NH+]2CCCC2)CC1)c1cccnc1 ZINC000295065166 427680263 /nfs/dbraw/zinc/68/02/63/427680263.db2.gz ZBUCASLPJKJOHS-IBGZPJMESA-N 1 3 317.477 2.703 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000344009691 272248880 /nfs/dbraw/zinc/24/88/80/272248880.db2.gz BJXMMDMSISAOKH-LJQANCHMSA-N 1 3 303.494 2.879 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000344009691 272248881 /nfs/dbraw/zinc/24/88/81/272248881.db2.gz BJXMMDMSISAOKH-LJQANCHMSA-N 1 3 303.494 2.879 20 0 DFADHO CN1CCCN(CCC[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344161130 272277421 /nfs/dbraw/zinc/27/74/21/272277421.db2.gz GDVHDCZYXYZJMK-LJQANCHMSA-N 1 3 319.468 2.820 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171403 272279518 /nfs/dbraw/zinc/27/95/18/272279518.db2.gz RVTYITIDCQMCGX-RBUKOAKNSA-N 1 3 320.452 2.537 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171403 272279521 /nfs/dbraw/zinc/27/95/21/272279521.db2.gz RVTYITIDCQMCGX-RBUKOAKNSA-N 1 3 320.452 2.537 20 0 DFADHO C[C@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)N1CCCCCC1 ZINC000344593446 272343452 /nfs/dbraw/zinc/34/34/52/272343452.db2.gz DLJCKLORWQKHKZ-AEFFLSMTSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344719598 272360074 /nfs/dbraw/zinc/36/00/74/272360074.db2.gz YMHDFVGOSHJPIE-IRXDYDNUSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344719598 272360076 /nfs/dbraw/zinc/36/00/76/272360076.db2.gz YMHDFVGOSHJPIE-IRXDYDNUSA-N 1 3 321.509 2.584 20 0 DFADHO CC[NH+](CC)CC1CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000344796633 272370704 /nfs/dbraw/zinc/37/07/04/272370704.db2.gz UPARPFNIXPHMQC-KRWDZBQOSA-N 1 3 323.525 2.831 20 0 DFADHO CC(C)N1CCC([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000279568213 427702804 /nfs/dbraw/zinc/70/28/04/427702804.db2.gz SNAJYFVZEGUQKB-INIZCTEOSA-N 1 3 314.832 2.975 20 0 DFADHO CCN(CC)CCC[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000339163663 427710895 /nfs/dbraw/zinc/71/08/95/427710895.db2.gz DSUHLHOTMFQMLT-CQSZACIVSA-N 1 3 323.447 2.971 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(C)cc(Cl)c2)CC1 ZINC000339185038 427720694 /nfs/dbraw/zinc/72/06/94/427720694.db2.gz VJLVZDYIEYTHPD-OAHLLOKOSA-N 1 3 309.885 2.764 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CC1CCCCC1 ZINC000336862348 427765134 /nfs/dbraw/zinc/76/51/34/427765134.db2.gz DRHAJLZXRAHZHL-RDJZCZTQSA-N 1 3 309.498 2.665 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CC1CCCCC1 ZINC000336862348 427765136 /nfs/dbraw/zinc/76/51/36/427765136.db2.gz DRHAJLZXRAHZHL-RDJZCZTQSA-N 1 3 309.498 2.665 20 0 DFADHO CCN1CC[C@H]([NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000336896256 427772581 /nfs/dbraw/zinc/77/25/81/427772581.db2.gz NULOFTDVTDMVAH-NEWSRXKRSA-N 1 3 301.478 2.581 20 0 DFADHO CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000336896258 427772643 /nfs/dbraw/zinc/77/26/43/427772643.db2.gz NULOFTDVTDMVAH-QRQLOZEOSA-N 1 3 301.478 2.581 20 0 DFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C23CCCN2CCC3)C1 ZINC000339270987 427745907 /nfs/dbraw/zinc/74/59/07/427745907.db2.gz KLSKGKGTCWJALI-MRXNPFEDSA-N 1 3 321.509 2.632 20 0 DFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C23CCCN2CCC3)C1 ZINC000339270987 427745910 /nfs/dbraw/zinc/74/59/10/427745910.db2.gz KLSKGKGTCWJALI-MRXNPFEDSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336656325 427746670 /nfs/dbraw/zinc/74/66/70/427746670.db2.gz MAAGTHUAWMUGNF-UHOSZYNNSA-N 1 3 313.489 2.723 20 0 DFADHO C[C@H](N[C@H]1CCN(C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336656325 427746672 /nfs/dbraw/zinc/74/66/72/427746672.db2.gz MAAGTHUAWMUGNF-UHOSZYNNSA-N 1 3 313.489 2.723 20 0 DFADHO C[C@H](N[C@H]1CCN(C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656325 427746675 /nfs/dbraw/zinc/74/66/75/427746675.db2.gz MAAGTHUAWMUGNF-UHOSZYNNSA-N 1 3 313.489 2.723 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C[C@@H]1C ZINC000359408061 427839988 /nfs/dbraw/zinc/83/99/88/427839988.db2.gz JWPSYFHWKNUAHZ-ZOFXXKQRSA-N 1 3 308.466 2.571 20 0 DFADHO CC(C)OC[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000337321641 427843773 /nfs/dbraw/zinc/84/37/73/427843773.db2.gz ZOYYTHCKJYASJT-APWZRJJASA-N 1 3 320.477 2.546 20 0 DFADHO CC(C)OC[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000337321641 427843778 /nfs/dbraw/zinc/84/37/78/427843778.db2.gz ZOYYTHCKJYASJT-APWZRJJASA-N 1 3 320.477 2.546 20 0 DFADHO C[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)N1CCCCCC1 ZINC000345674759 427854761 /nfs/dbraw/zinc/85/47/61/427854761.db2.gz YQVBYTIRBLNWDW-INIZCTEOSA-N 1 3 309.498 2.632 20 0 DFADHO CC(C)[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)N1CCCCC1 ZINC000359519177 427887827 /nfs/dbraw/zinc/88/78/27/427887827.db2.gz RDSOECUCXBNBHO-ROUUACIJSA-N 1 3 323.525 2.830 20 0 DFADHO CC(C)[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)N1CCCCC1 ZINC000359519177 427887829 /nfs/dbraw/zinc/88/78/29/427887829.db2.gz RDSOECUCXBNBHO-ROUUACIJSA-N 1 3 323.525 2.830 20 0 DFADHO CC[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(CC)CC ZINC000345783141 427902659 /nfs/dbraw/zinc/90/26/59/427902659.db2.gz JPGYRZOYSCAWLH-BBWFWOEESA-N 1 3 311.514 2.591 20 0 DFADHO CC[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(CC)CC ZINC000345783141 427902663 /nfs/dbraw/zinc/90/26/63/427902663.db2.gz JPGYRZOYSCAWLH-BBWFWOEESA-N 1 3 311.514 2.591 20 0 DFADHO CC[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)[NH+](CC)CC ZINC000345815548 427918752 /nfs/dbraw/zinc/91/87/52/427918752.db2.gz WHBALRDGNKQADL-MSOLQXFVSA-N 1 3 319.493 2.834 20 0 DFADHO CC[C@@H](Cn1cncn1)NCc1cccc(C[NH+](CC)CC)c1 ZINC000340477045 427859480 /nfs/dbraw/zinc/85/94/80/427859480.db2.gz WLMKHVNRXWSFQR-SFHVURJKSA-N 1 3 315.465 2.688 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H]2CCc3cn[nH]c3C2)C[C@H]1c1ccccc1 ZINC000340262552 427971140 /nfs/dbraw/zinc/97/11/40/427971140.db2.gz LNBFOVVVAQRBPI-AOIWGVFYSA-N 1 3 310.445 2.692 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337599531 427975214 /nfs/dbraw/zinc/97/52/14/427975214.db2.gz MYYAOARHSQXFEJ-OIISXLGYSA-N 1 3 316.445 2.953 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337599531 427975220 /nfs/dbraw/zinc/97/52/20/427975220.db2.gz MYYAOARHSQXFEJ-OIISXLGYSA-N 1 3 316.445 2.953 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000337599531 427975225 /nfs/dbraw/zinc/97/52/25/427975225.db2.gz MYYAOARHSQXFEJ-OIISXLGYSA-N 1 3 316.445 2.953 20 0 DFADHO CC[NH+](CC)CCCC1CCN(Cc2cnc(N)s2)CC1 ZINC000340712444 427934377 /nfs/dbraw/zinc/93/43/77/427934377.db2.gz KMKPPXGUOWJNAR-UHFFFAOYSA-N 1 3 310.511 3.059 20 0 DFADHO C[C@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N1CCCCCC1 ZINC000341342985 428040714 /nfs/dbraw/zinc/04/07/14/428040714.db2.gz GSFKGDIGSJVHSP-CVEARBPZSA-N 1 3 311.514 2.734 20 0 DFADHO C[C@H]1C[N@H+](C/C=C/c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000369767850 428057069 /nfs/dbraw/zinc/05/70/69/428057069.db2.gz UWYJDVFHZKYBDF-FGMZYGIMSA-N 1 3 313.489 2.658 20 0 DFADHO C[C@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000369767850 428057072 /nfs/dbraw/zinc/05/70/72/428057072.db2.gz UWYJDVFHZKYBDF-FGMZYGIMSA-N 1 3 313.489 2.658 20 0 DFADHO C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(F)c2ccccc21 ZINC000340357738 427998012 /nfs/dbraw/zinc/99/80/12/427998012.db2.gz IDUSFJLXWHYDPE-ACJLOTCBSA-N 1 3 302.393 2.696 20 0 DFADHO C[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(F)c2ccccc21 ZINC000340357738 427998015 /nfs/dbraw/zinc/99/80/15/427998015.db2.gz IDUSFJLXWHYDPE-ACJLOTCBSA-N 1 3 302.393 2.696 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000351860492 428114069 /nfs/dbraw/zinc/11/40/69/428114069.db2.gz ISVCTVPWCGDRJJ-DGCLKSJQSA-N 1 3 320.824 2.602 20 0 DFADHO CC[C@@H](C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)N(C)C ZINC000413717079 428117641 /nfs/dbraw/zinc/11/76/41/428117641.db2.gz VLBCSKFDAWYRAB-ROUUACIJSA-N 1 3 319.493 2.599 20 0 DFADHO CC[C@@H](C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)N(C)C ZINC000413717079 428117647 /nfs/dbraw/zinc/11/76/47/428117647.db2.gz VLBCSKFDAWYRAB-ROUUACIJSA-N 1 3 319.493 2.599 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C[C@@H]1C ZINC000346346620 428137130 /nfs/dbraw/zinc/13/71/30/428137130.db2.gz XHYPTOSUIVEJBK-BBWFWOEESA-N 1 3 309.498 2.582 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C[C@@H]1C ZINC000346346620 428137133 /nfs/dbraw/zinc/13/71/33/428137133.db2.gz XHYPTOSUIVEJBK-BBWFWOEESA-N 1 3 309.498 2.582 20 0 DFADHO c1ccc2c(c1)CC[C@]1(CC[N@@H+](CCCN3CCCC3)C1)O2 ZINC000377659763 428184029 /nfs/dbraw/zinc/18/40/29/428184029.db2.gz PWUOERYNXPBMBW-LJQANCHMSA-N 1 3 300.446 2.942 20 0 DFADHO c1ccc2c(c1)CC[C@]1(CC[N@H+](CCCN3CCCC3)C1)O2 ZINC000377659763 428184032 /nfs/dbraw/zinc/18/40/32/428184032.db2.gz PWUOERYNXPBMBW-LJQANCHMSA-N 1 3 300.446 2.942 20 0 DFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000341739639 428175138 /nfs/dbraw/zinc/17/51/38/428175138.db2.gz BDEFFAUKQDTYQO-QAPCUYQASA-N 1 3 315.461 2.809 20 0 DFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000341739639 428175147 /nfs/dbraw/zinc/17/51/47/428175147.db2.gz BDEFFAUKQDTYQO-QAPCUYQASA-N 1 3 315.461 2.809 20 0 DFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)N1CCCCCC1 ZINC000360217534 428208295 /nfs/dbraw/zinc/20/82/95/428208295.db2.gz GPVKWAYMGNHPRH-IRXDYDNUSA-N 1 3 309.498 2.632 20 0 DFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)N1CCCCCC1 ZINC000360217534 428208299 /nfs/dbraw/zinc/20/82/99/428208299.db2.gz GPVKWAYMGNHPRH-IRXDYDNUSA-N 1 3 309.498 2.632 20 0 DFADHO CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)[C@H]1C[C@H]1C ZINC000414105357 428208773 /nfs/dbraw/zinc/20/87/73/428208773.db2.gz GPYGQUFAKRPGJP-FCLVOEFKSA-N 1 3 302.462 2.777 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000352770615 428240820 /nfs/dbraw/zinc/24/08/20/428240820.db2.gz NEUZNUPYPRCJBV-JQHSSLGASA-N 1 3 322.880 2.832 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000352770615 428240825 /nfs/dbraw/zinc/24/08/25/428240825.db2.gz NEUZNUPYPRCJBV-JQHSSLGASA-N 1 3 322.880 2.832 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000352770615 428240827 /nfs/dbraw/zinc/24/08/27/428240827.db2.gz NEUZNUPYPRCJBV-JQHSSLGASA-N 1 3 322.880 2.832 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000352770615 428240832 /nfs/dbraw/zinc/24/08/32/428240832.db2.gz NEUZNUPYPRCJBV-JQHSSLGASA-N 1 3 322.880 2.832 20 0 DFADHO CCc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000352768874 428239593 /nfs/dbraw/zinc/23/95/93/428239593.db2.gz GTUGNKOLJFSCFN-UHFFFAOYSA-N 1 3 313.445 2.874 20 0 DFADHO c1cc2c(cc1CCCN[C@H]1CC[N@@H+]3CCC[C@H]3C1)OCCO2 ZINC000414376331 428277473 /nfs/dbraw/zinc/27/74/73/428277473.db2.gz HGMXKKLYTWWANJ-IRXDYDNUSA-N 1 3 316.445 2.607 20 0 DFADHO c1cc2c(cc1CCCN[C@H]1CC[N@H+]3CCC[C@H]3C1)OCCO2 ZINC000414376331 428277480 /nfs/dbraw/zinc/27/74/80/428277480.db2.gz HGMXKKLYTWWANJ-IRXDYDNUSA-N 1 3 316.445 2.607 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000352855616 428282785 /nfs/dbraw/zinc/28/27/85/428282785.db2.gz TVYBCNJZKCPXFF-PKOBYXMFSA-N 1 3 307.526 2.986 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](C1CC1)N(C)C ZINC000360414203 428287681 /nfs/dbraw/zinc/28/76/81/428287681.db2.gz ORYFURPKKPLSBW-NSISKUIASA-N 1 3 315.505 2.827 20 0 DFADHO Cc1ccccc1CN1CCC([NH2+][C@H]2CCN(C)C[C@H]2C)CC1 ZINC000360415039 428288768 /nfs/dbraw/zinc/28/87/68/428288768.db2.gz VASHGEKKWPVYML-XLIONFOSSA-N 1 3 315.505 2.889 20 0 DFADHO C[NH2+]CCC1CCN(Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000346628107 428247021 /nfs/dbraw/zinc/24/70/21/428247021.db2.gz ANKXXVBTNZDBLQ-AWEZNQCLSA-N 1 3 318.461 2.840 20 0 DFADHO CC(=O)N1CC[C@H](N[C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2C1 ZINC000352790271 428251593 /nfs/dbraw/zinc/25/15/93/428251593.db2.gz RLBWAXBSMGMVHR-LJHODMEESA-N 1 3 315.461 2.552 20 0 DFADHO CC(=O)N1CC[C@H](N[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2C1 ZINC000352790271 428251596 /nfs/dbraw/zinc/25/15/96/428251596.db2.gz RLBWAXBSMGMVHR-LJHODMEESA-N 1 3 315.461 2.552 20 0 DFADHO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](CC(C)C)C(=O)NCCN(C)C)C1 ZINC000352799462 428255093 /nfs/dbraw/zinc/25/50/93/428255093.db2.gz OHHJUDODSJFOHZ-CGTJXYLNSA-N 1 3 323.525 2.661 20 0 DFADHO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370637199 428259475 /nfs/dbraw/zinc/25/94/75/428259475.db2.gz UDTOJMNIGLIIJD-SJLPKXTDSA-N 1 3 301.478 2.814 20 0 DFADHO COc1cc(CN2CCC(C[NH3+])CC2)c(SC)cc1OC ZINC000346660387 428261556 /nfs/dbraw/zinc/26/15/56/428261556.db2.gz MWFYSBUCJURTLN-UHFFFAOYSA-N 1 3 310.463 2.596 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@]1(CC)CC[NH2+]C1)c1ccsc1 ZINC000370847314 428306791 /nfs/dbraw/zinc/30/67/91/428306791.db2.gz RAGNYQMEQVZSOW-WBVHZDCISA-N 1 3 323.506 2.637 20 0 DFADHO CN(CCc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921735 428314577 /nfs/dbraw/zinc/31/45/77/428314577.db2.gz KZNFSBNDRSSPGH-SJPCQFCGSA-N 1 3 316.445 2.557 20 0 DFADHO CN(CCc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921735 428314580 /nfs/dbraw/zinc/31/45/80/428314580.db2.gz KZNFSBNDRSSPGH-SJPCQFCGSA-N 1 3 316.445 2.557 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1ccc(F)c(F)c1F ZINC000346801508 428321118 /nfs/dbraw/zinc/32/11/18/428321118.db2.gz SQGYJVUGLKFWKY-GYSYKLTISA-N 1 3 300.368 2.965 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1ccc(F)c(F)c1F ZINC000346801508 428321121 /nfs/dbraw/zinc/32/11/21/428321121.db2.gz SQGYJVUGLKFWKY-GYSYKLTISA-N 1 3 300.368 2.965 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(OCC(F)F)cc3)C[C@H]21 ZINC000346813221 428327912 /nfs/dbraw/zinc/32/79/12/428327912.db2.gz ADAMEXVPOWTHQE-FVQBIDKESA-N 1 3 310.388 2.890 20 0 DFADHO COc1ccc(CC2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346842256 428342227 /nfs/dbraw/zinc/34/22/27/428342227.db2.gz HVXGJRRJJAQTEZ-GOSISDBHSA-N 1 3 302.462 2.949 20 0 DFADHO COc1ccc(CC2CC[NH+](C[C@@H]3CCCNC3)CC2)cc1 ZINC000346842256 428342232 /nfs/dbraw/zinc/34/22/32/428342232.db2.gz HVXGJRRJJAQTEZ-GOSISDBHSA-N 1 3 302.462 2.949 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3c[nH]nc3-c3cccs3)C[C@@H]21 ZINC000346840330 428342451 /nfs/dbraw/zinc/34/24/51/428342451.db2.gz ZXNBWLMIBYDNKD-FPMFFAJLSA-N 1 3 302.447 2.697 20 0 DFADHO CC(C)[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000356881314 428346941 /nfs/dbraw/zinc/34/69/41/428346941.db2.gz HSRLOKLIBHSRJW-HZPDHXFCSA-N 1 3 314.433 2.900 20 0 DFADHO CN1CCC(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CC1 ZINC000342209301 428350882 /nfs/dbraw/zinc/35/08/82/428350882.db2.gz DEZCQHZYISYGDE-UHFFFAOYSA-N 1 3 315.461 2.604 20 0 DFADHO CN1CCC(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CC1 ZINC000342209301 428350886 /nfs/dbraw/zinc/35/08/86/428350886.db2.gz DEZCQHZYISYGDE-UHFFFAOYSA-N 1 3 315.461 2.604 20 0 DFADHO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1cccc(OCCN(C)C)c1 ZINC000346877019 428354562 /nfs/dbraw/zinc/35/45/62/428354562.db2.gz RONJPKVFPYJJKM-JKSUJKDBSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@H]1[NH2+]CCC[C@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000414620849 428354700 /nfs/dbraw/zinc/35/47/00/428354700.db2.gz LNXFQYBCVARBQW-IUODEOHRSA-N 1 3 300.406 2.654 20 0 DFADHO C[C@@H]1C[C@H](CN2CCNC[C@@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414746361 428393897 /nfs/dbraw/zinc/39/38/97/428393897.db2.gz ZDSVMGOJXDWDQZ-CKEIUWERSA-N 1 3 307.869 2.674 20 0 DFADHO CC(C)C[C@@H](N)C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000414761312 428395295 /nfs/dbraw/zinc/39/52/95/428395295.db2.gz SPWXTRMMWFGQCM-GOSISDBHSA-N 1 3 304.478 2.677 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414768070 428396855 /nfs/dbraw/zinc/39/68/55/428396855.db2.gz LCENEQSPMSZVFT-CALCHBBNSA-N 1 3 310.445 2.817 20 0 DFADHO Fc1ccc2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)sc2c1 ZINC000414766238 428397419 /nfs/dbraw/zinc/39/74/19/428397419.db2.gz HHQIVUIQRYKHPT-TXEJJXNPSA-N 1 3 305.422 2.867 20 0 DFADHO C[C@H](c1ccccc1)N(C)C(=O)CN(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414764717 428398944 /nfs/dbraw/zinc/39/89/44/428398944.db2.gz OUFZBHXEKBYLMW-ZACQAIPSSA-N 1 3 317.477 2.526 20 0 DFADHO OCCCN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000346994681 428400641 /nfs/dbraw/zinc/40/06/41/428400641.db2.gz UXRAOQGNIKCXJM-QFBILLFUSA-N 1 3 302.462 2.748 20 0 DFADHO Clc1ccc2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2c1 ZINC000414780367 428404691 /nfs/dbraw/zinc/40/46/91/428404691.db2.gz LKLNUTKXLQLKGE-KGLIPLIRSA-N 1 3 318.852 2.809 20 0 DFADHO CCN(CC)c1ncc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414778566 428405119 /nfs/dbraw/zinc/40/51/19/428405119.db2.gz JCMGGNQXVUGYGD-LSDHHAIUSA-N 1 3 322.522 2.811 20 0 DFADHO c1cc(N2CCCC2)ncc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785727 428406376 /nfs/dbraw/zinc/40/63/76/428406376.db2.gz TUTJEAGZCHCDRS-ROUUACIJSA-N 1 3 314.477 2.503 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NC2CC[NH2+]CC2)cc1Cl ZINC000414785679 428406923 /nfs/dbraw/zinc/40/69/23/428406923.db2.gz VWSREHRPHJSOSQ-LBPRGKRZSA-N 1 3 309.841 2.707 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2CCNCC2)cc1Cl ZINC000414785679 428406927 /nfs/dbraw/zinc/40/69/27/428406927.db2.gz VWSREHRPHJSOSQ-LBPRGKRZSA-N 1 3 309.841 2.707 20 0 DFADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC1CC[NH2+]CC1 ZINC000414784880 428407428 /nfs/dbraw/zinc/40/74/28/428407428.db2.gz UDWUSLJKQLHHGS-AWEZNQCLSA-N 1 3 303.450 2.869 20 0 DFADHO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCNCC1 ZINC000414784880 428407433 /nfs/dbraw/zinc/40/74/33/428407433.db2.gz UDWUSLJKQLHHGS-AWEZNQCLSA-N 1 3 303.450 2.869 20 0 DFADHO CC(C)N1CCC([NH2+][C@H](CC(=O)N(C)C)c2ccccc2)CC1 ZINC000360578657 428357430 /nfs/dbraw/zinc/35/74/30/428357430.db2.gz HTANICLSYMHMMF-GOSISDBHSA-N 1 3 317.477 2.668 20 0 DFADHO COCCCCN1CCC[C@@H]([N@H+](C)CCCCOC)CC1 ZINC000371097386 428359836 /nfs/dbraw/zinc/35/98/36/428359836.db2.gz BOCTTXDMXHBUSP-QGZVFWFLSA-N 1 3 300.487 2.626 20 0 DFADHO COCCCCN1CCC[C@@H]([N@@H+](C)CCCCOC)CC1 ZINC000371097386 428359837 /nfs/dbraw/zinc/35/98/37/428359837.db2.gz BOCTTXDMXHBUSP-QGZVFWFLSA-N 1 3 300.487 2.626 20 0 DFADHO CN(c1ccccc1CN[C@H]1C[C@@H]1C(F)F)C1CC[NH+](C)CC1 ZINC000342242723 428365985 /nfs/dbraw/zinc/36/59/85/428365985.db2.gz WKHBKFSVUMKAIF-HOTGVXAUSA-N 1 3 323.431 2.960 20 0 DFADHO C[C@H](c1ccccc1Cl)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414669066 428369833 /nfs/dbraw/zinc/36/98/33/428369833.db2.gz BEMTXNBNZNYQFL-KGLIPLIRSA-N 1 3 323.868 2.530 20 0 DFADHO C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414669066 428369837 /nfs/dbraw/zinc/36/98/37/428369837.db2.gz BEMTXNBNZNYQFL-KGLIPLIRSA-N 1 3 323.868 2.530 20 0 DFADHO C[C@H]1C[C@@H](CN2CCN(Cc3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC000414681094 428372155 /nfs/dbraw/zinc/37/21/55/428372155.db2.gz OKIBUNNEQOQFAJ-RDJZCZTQSA-N 1 3 321.896 2.846 20 0 DFADHO c1cc(N2CCCC2)ncc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357049404 428374512 /nfs/dbraw/zinc/37/45/12/428374512.db2.gz KYHOSGZVUWVGJF-GOSISDBHSA-N 1 3 314.477 2.503 20 0 DFADHO CC1CC[NH+](CCN2CC[C@@H](N(C)Cc3ccccc3)C2)CC1 ZINC000372038758 428413509 /nfs/dbraw/zinc/41/35/09/428413509.db2.gz YJPDQMSOXVHBSW-HXUWFJFHSA-N 1 3 315.505 2.925 20 0 DFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2CC2CCCCC2)C1 ZINC000414687781 428376044 /nfs/dbraw/zinc/37/60/44/428376044.db2.gz IBGRHJAZYPZDFO-ZWKOTPCHSA-N 1 3 321.509 2.619 20 0 DFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2CC2CCCCC2)C1 ZINC000414687781 428376049 /nfs/dbraw/zinc/37/60/49/428376049.db2.gz IBGRHJAZYPZDFO-ZWKOTPCHSA-N 1 3 321.509 2.619 20 0 DFADHO CCN(C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000414693869 428378103 /nfs/dbraw/zinc/37/81/03/428378103.db2.gz MMJGRZXZBAABAW-JZXOWHBKSA-N 1 3 315.461 2.502 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H](F)C2)CC1 ZINC000342291772 428387130 /nfs/dbraw/zinc/38/71/30/428387130.db2.gz NRSUTXZUVODMIY-DLBZAZTESA-N 1 3 305.441 2.809 20 0 DFADHO Cc1cn[nH]c1CN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000414733503 428387762 /nfs/dbraw/zinc/38/77/62/428387762.db2.gz JKVONYJLRMKHGL-IEBWSBKVSA-N 1 3 312.461 2.890 20 0 DFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCCSCC2)CC1 ZINC000357212705 428437203 /nfs/dbraw/zinc/43/72/03/428437203.db2.gz KNCBXSXQYSPLPI-UHFFFAOYSA-N 1 3 319.518 2.767 20 0 DFADHO CCN1CCN(c2ccccc2C[N@H+]2CCCSCC2)CC1 ZINC000357212705 428437205 /nfs/dbraw/zinc/43/72/05/428437205.db2.gz KNCBXSXQYSPLPI-UHFFFAOYSA-N 1 3 319.518 2.767 20 0 DFADHO COc1ccccc1/C=C/CNCCC[NH2+]Cc1cccnc1 ZINC000414869064 428438173 /nfs/dbraw/zinc/43/81/73/428438173.db2.gz BGWOHWIRPKCQSP-WEVVVXLNSA-N 1 3 311.429 2.873 20 0 DFADHO COc1cc(CNC[C@H](C)C[NH3+])ccc1OCc1ccccc1 ZINC000414869643 428438966 /nfs/dbraw/zinc/43/89/66/428438966.db2.gz BBCMBQCDMAVVJJ-OAHLLOKOSA-N 1 3 314.429 2.959 20 0 DFADHO C[NH2+]CC1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000347100551 428444959 /nfs/dbraw/zinc/44/49/59/428444959.db2.gz LJHNOMCURJGQGK-UHFFFAOYSA-N 1 3 305.441 2.857 20 0 DFADHO CSC[C@H](CCO)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357232344 428445207 /nfs/dbraw/zinc/44/52/07/428445207.db2.gz NTBKFALWPOROAK-SZMVWBNQSA-N 1 3 322.518 2.601 20 0 DFADHO CSC[C@H](CCO)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357232344 428445212 /nfs/dbraw/zinc/44/52/12/428445212.db2.gz NTBKFALWPOROAK-SZMVWBNQSA-N 1 3 322.518 2.601 20 0 DFADHO C[C@H](CN)C[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000414887147 428446135 /nfs/dbraw/zinc/44/61/35/428446135.db2.gz YXCPSXZDQVDOMS-NXEZZACHSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@H](C[NH3+])CN[C@H](C)Cc1ccc(Br)cc1F ZINC000414887147 428446138 /nfs/dbraw/zinc/44/61/38/428446138.db2.gz YXCPSXZDQVDOMS-NXEZZACHSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@@H](NCCOC(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000353242755 428447015 /nfs/dbraw/zinc/44/70/15/428447015.db2.gz JGQNOPATWHTUAP-GFCCVEGCSA-N 1 3 320.355 2.814 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)C1CCC(F)(F)CC1 ZINC000353244362 428448132 /nfs/dbraw/zinc/44/81/32/428448132.db2.gz QEEJCMJVBROZKJ-OAHLLOKOSA-N 1 3 317.468 2.818 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414906557 428452821 /nfs/dbraw/zinc/45/28/21/428452821.db2.gz MGXNWSSVSXUQCS-GUYCJALGSA-N 1 3 307.413 2.522 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414906557 428452827 /nfs/dbraw/zinc/45/28/27/428452827.db2.gz MGXNWSSVSXUQCS-GUYCJALGSA-N 1 3 307.413 2.522 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NCC[C@H]2CCC[NH2+]2)c1C ZINC000414904439 428452951 /nfs/dbraw/zinc/45/29/51/428452951.db2.gz LJPBWAXQEOGZTF-GDBMZVCRSA-N 1 3 303.450 2.752 20 0 DFADHO CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCCC[C@H]1CN(CC)CC ZINC000353258822 428455559 /nfs/dbraw/zinc/45/55/59/428455559.db2.gz RSMGRLUSCROKFJ-GVDBMIGSSA-N 1 3 307.486 2.547 20 0 DFADHO CC[C@H](Cn1cncn1)N[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000353258822 428455563 /nfs/dbraw/zinc/45/55/63/428455563.db2.gz RSMGRLUSCROKFJ-GVDBMIGSSA-N 1 3 307.486 2.547 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@]1(C)CCCNC1 ZINC000414919321 428456445 /nfs/dbraw/zinc/45/64/45/428456445.db2.gz WRRIEZULWYPDQU-RDTXWAMCSA-N 1 3 304.434 2.716 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414920372 428457726 /nfs/dbraw/zinc/45/77/26/428457726.db2.gz ZEWUPMRDWNIBSZ-CXAGYDPISA-N 1 3 307.413 2.522 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414920372 428457731 /nfs/dbraw/zinc/45/77/31/428457731.db2.gz ZEWUPMRDWNIBSZ-CXAGYDPISA-N 1 3 307.413 2.522 20 0 DFADHO Clc1ccccc1CN1CCC(NC[C@@H]2CC[NH2+]C2)CC1 ZINC000414916221 428457748 /nfs/dbraw/zinc/45/77/48/428457748.db2.gz PBVRMETUWGLHDL-CQSZACIVSA-N 1 3 307.869 2.504 20 0 DFADHO COc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1OC(F)F ZINC000414924312 428459012 /nfs/dbraw/zinc/45/90/12/428459012.db2.gz JTDBRDKYPCLGPY-NEPJUHHUSA-N 1 3 300.349 2.656 20 0 DFADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2ccccc2Cl)CC1 ZINC000414932075 428463486 /nfs/dbraw/zinc/46/34/86/428463486.db2.gz QQVKZTXMHMGDQZ-KBXCAEBGSA-N 1 3 321.896 2.892 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000414947817 428464890 /nfs/dbraw/zinc/46/48/90/428464890.db2.gz XBYMIGCEJUBFJO-HEHGZKQESA-N 1 3 323.868 2.953 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)cc1Cl ZINC000414947817 428464895 /nfs/dbraw/zinc/46/48/95/428464895.db2.gz XBYMIGCEJUBFJO-HEHGZKQESA-N 1 3 323.868 2.953 20 0 DFADHO COC[C@]1(C[NH2+][C@@H](C)Cc2ccccc2SC)CCCN1 ZINC000414944668 428465278 /nfs/dbraw/zinc/46/52/78/428465278.db2.gz OIJJWAWDEMGQMG-WMLDXEAASA-N 1 3 308.491 2.698 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C[C@H]2C)cc1Cl ZINC000414947816 428466517 /nfs/dbraw/zinc/46/65/17/428466517.db2.gz XBYMIGCEJUBFJO-DVOMOZLQSA-N 1 3 323.868 2.953 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)cc1Cl ZINC000414947816 428466523 /nfs/dbraw/zinc/46/65/23/428466523.db2.gz XBYMIGCEJUBFJO-DVOMOZLQSA-N 1 3 323.868 2.953 20 0 DFADHO CNC(=O)C1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000360859987 428468011 /nfs/dbraw/zinc/46/80/11/428468011.db2.gz ORXVXNNUQPWGKQ-UHFFFAOYSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@@H](Cc1ccc(Br)cc1F)N[C@@H](C[NH3+])C1CC1 ZINC000414799851 428416209 /nfs/dbraw/zinc/41/62/09/428416209.db2.gz DZVKKRICHIKMKR-XPTSAGLGSA-N 1 3 315.230 2.846 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1F)N[C@H](C[NH3+])C1CC1 ZINC000414799852 428416946 /nfs/dbraw/zinc/41/69/46/428416946.db2.gz DZVKKRICHIKMKR-YMTOWFKASA-N 1 3 315.230 2.846 20 0 DFADHO CC(C)c1ccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000414797363 428417276 /nfs/dbraw/zinc/41/72/76/428417276.db2.gz IOGOOVZVCRNRTM-GUYCJALGSA-N 1 3 303.450 2.854 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C[C@H]2C)c(C)c1 ZINC000414948154 428469705 /nfs/dbraw/zinc/46/97/05/428469705.db2.gz XUCWMYLCZWUFPS-HLLBOEOZSA-N 1 3 303.450 2.608 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)c(C)c1 ZINC000414948154 428469708 /nfs/dbraw/zinc/46/97/08/428469708.db2.gz XUCWMYLCZWUFPS-HLLBOEOZSA-N 1 3 303.450 2.608 20 0 DFADHO C[C@H]([NH3+])C1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000347039423 428419475 /nfs/dbraw/zinc/41/94/75/428419475.db2.gz JFQLTTDTFMVYRZ-ZDUSSCGKSA-N 1 3 302.397 2.571 20 0 DFADHO CSc1cc2c(cc1CN[C@H]1CCCC[C@H]1C[NH3+])OCCO2 ZINC000414812577 428421424 /nfs/dbraw/zinc/42/14/24/428421424.db2.gz XLWXOJRLMBZCGX-JSGCOSHPSA-N 1 3 322.474 2.787 20 0 DFADHO [NH3+]C[C@@H](NC1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000414813349 428423016 /nfs/dbraw/zinc/42/30/16/428423016.db2.gz YFEJZPFCZBAMGT-QGZVFWFLSA-N 1 3 307.869 2.631 20 0 DFADHO CCOc1cccc(CNCC[C@H]2CC[NH2+]C2)c1OC(F)F ZINC000414827766 428424289 /nfs/dbraw/zinc/42/42/89/428424289.db2.gz HTGLHNWDXMHXGT-GFCCVEGCSA-N 1 3 314.376 2.776 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])CC(C)C)c1C ZINC000414832921 428426441 /nfs/dbraw/zinc/42/64/41/428426441.db2.gz FGCUEVNSCYGYAA-GDBMZVCRSA-N 1 3 305.466 2.984 20 0 DFADHO CN(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360758266 428427388 /nfs/dbraw/zinc/42/73/88/428427388.db2.gz GCKRYMIMYZFUFM-BWPNAZKDSA-N 1 3 313.489 2.821 20 0 DFADHO CN(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360758266 428427404 /nfs/dbraw/zinc/42/74/04/428427404.db2.gz GCKRYMIMYZFUFM-BWPNAZKDSA-N 1 3 313.489 2.821 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])CC(C)C)c1C ZINC000414832924 428427805 /nfs/dbraw/zinc/42/78/05/428427805.db2.gz FGCUEVNSCYGYAA-HOCLYGCPSA-N 1 3 305.466 2.984 20 0 DFADHO CCc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000372334172 428429493 /nfs/dbraw/zinc/42/94/93/428429493.db2.gz TVSYOUVXNOUURR-FXAWDEMLSA-N 1 3 315.505 2.707 20 0 DFADHO CC(C)c1ccc(CCNC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000347058386 428430256 /nfs/dbraw/zinc/43/02/56/428430256.db2.gz WCYQRFXLSYJSTO-IBGZPJMESA-N 1 3 304.478 2.789 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1(N)CCCCC1 ZINC000414836791 428430637 /nfs/dbraw/zinc/43/06/37/428430637.db2.gz GKMGUMAAZQFHBR-CYBMUJFWSA-N 1 3 307.413 2.794 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000414842612 428430883 /nfs/dbraw/zinc/43/08/83/428430883.db2.gz PFMQSNAMIWMEON-AAEUAGOBSA-N 1 3 311.857 2.811 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CCC[NH2+]C2)c1C ZINC000414841032 428431372 /nfs/dbraw/zinc/43/13/72/428431372.db2.gz YUCBOFGDNFDRBR-GDBMZVCRSA-N 1 3 303.450 2.610 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCNC2)c1C ZINC000414841032 428431377 /nfs/dbraw/zinc/43/13/77/428431377.db2.gz YUCBOFGDNFDRBR-GDBMZVCRSA-N 1 3 303.450 2.610 20 0 DFADHO COc1ccc(C[C@H](C)NCC2([NH3+])CCCCC2)cc1OC ZINC000414850490 428432131 /nfs/dbraw/zinc/43/21/31/428432131.db2.gz ZFZYJQOERJURMO-AWEZNQCLSA-N 1 3 306.450 2.886 20 0 DFADHO COc1ccc(CNCCC[C@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000414982804 428479554 /nfs/dbraw/zinc/47/95/54/428479554.db2.gz ZFPBBZZGPLNOOR-ZDUSSCGKSA-N 1 3 312.841 2.979 20 0 DFADHO COc1ccc(CNCCC[C@H]2CCC[NH2+]2)c(OC(F)F)c1 ZINC000414983627 428480037 /nfs/dbraw/zinc/48/00/37/428480037.db2.gz ZWNLGHVTJYMWTP-ZDUSSCGKSA-N 1 3 314.376 2.918 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](CNCc2cc(O)ccc2Br)C1 ZINC000414991759 428481671 /nfs/dbraw/zinc/48/16/71/428481671.db2.gz JPRBVRPLTCQQEK-ZYHUDNBSSA-N 1 3 313.239 2.762 20 0 DFADHO CC[C@@H]([NH3+])CN[C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414996249 428483812 /nfs/dbraw/zinc/48/38/12/428483812.db2.gz XGVKHYUUHJILPG-MWLCHTKSSA-N 1 3 303.219 2.846 20 0 DFADHO CCOc1c(CNC[C@@H]2CCC[C@@H]([NH3+])C2)c(C)nn1CC(C)C ZINC000414999747 428485090 /nfs/dbraw/zinc/48/50/90/428485090.db2.gz SGOZFLXFENSKRF-HZPDHXFCSA-N 1 3 322.497 2.853 20 0 DFADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000415012774 428488244 /nfs/dbraw/zinc/48/82/44/428488244.db2.gz JYPRCPIDJZBZRA-GHMZBOCLSA-N 1 3 312.339 2.716 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CCCOC3)CC2)C[C@H](C)O1 ZINC000342922425 428489962 /nfs/dbraw/zinc/48/99/62/428489962.db2.gz WHDFEYCMHUOQJQ-ZIFCJYIRSA-N 1 3 324.509 2.624 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353336043 428493550 /nfs/dbraw/zinc/49/35/50/428493550.db2.gz LAXCXDFNRUPBQF-SFHVURJKSA-N 1 3 322.472 2.535 20 0 DFADHO [NH3+]C[C@@H]1CC[C@@H](NCc2c(F)cccc2Br)C1 ZINC000415029974 428493921 /nfs/dbraw/zinc/49/39/21/428493921.db2.gz FJDRAXZPWRRCCV-NXEZZACHSA-N 1 3 301.203 2.805 20 0 DFADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CNCCCO1 ZINC000415029377 428494147 /nfs/dbraw/zinc/49/41/47/428494147.db2.gz AWFKKVRTURFDMR-DOMZBBRYSA-N 1 3 316.367 2.605 20 0 DFADHO [NH3+]C[C@@H]1CC[C@@H](NCc2ccc(F)cc2Br)C1 ZINC000415037026 428495902 /nfs/dbraw/zinc/49/59/02/428495902.db2.gz LWAHWROISRXADK-BXKDBHETSA-N 1 3 301.203 2.805 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CNC[C@H]1c1ccccc1)CC1CCOCC1 ZINC000415038217 428496161 /nfs/dbraw/zinc/49/61/61/428496161.db2.gz HTTKOPNLMGGBDK-ZYSHUDEJSA-N 1 3 302.462 2.784 20 0 DFADHO [NH3+]C[C@H]1CC[C@@H](NCc2cc(F)ccc2Br)C1 ZINC000415037896 428496652 /nfs/dbraw/zinc/49/66/52/428496652.db2.gz MTRGKJUQEQTUGM-JOYOIKCWSA-N 1 3 301.203 2.805 20 0 DFADHO c1cn(-c2csc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2)cn1 ZINC000415041421 428498617 /nfs/dbraw/zinc/49/86/17/428498617.db2.gz LKIWTENLLLCINH-PBHICJAKSA-N 1 3 316.474 2.898 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c(C)c1 ZINC000415051562 428501319 /nfs/dbraw/zinc/50/13/19/428501319.db2.gz GGAFXMGHYDXCCQ-JTDSTZFVSA-N 1 3 317.477 2.937 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)c(C)c1 ZINC000415051562 428501323 /nfs/dbraw/zinc/50/13/23/428501323.db2.gz GGAFXMGHYDXCCQ-JTDSTZFVSA-N 1 3 317.477 2.937 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN[C@H]2C)CCN1Cc1ccccc1 ZINC000396622651 428502263 /nfs/dbraw/zinc/50/22/63/428502263.db2.gz VGNBOPACNOYJAK-JFRXWTBNSA-N 1 3 301.478 2.770 20 0 DFADHO NC[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)C1CCCC1 ZINC000415066909 428507771 /nfs/dbraw/zinc/50/77/71/428507771.db2.gz ONZPLLPMYXSPJJ-HXUWFJFHSA-N 1 3 315.505 2.801 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NCCC[NH2+]C2CC2)c1C ZINC000415069528 428510102 /nfs/dbraw/zinc/51/01/02/428510102.db2.gz OUUVDTPRYPERRU-CQSZACIVSA-N 1 3 303.450 2.752 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCNC2CC2)c1C ZINC000415069528 428510108 /nfs/dbraw/zinc/51/01/08/428510108.db2.gz OUUVDTPRYPERRU-CQSZACIVSA-N 1 3 303.450 2.752 20 0 DFADHO C[C@@H]1CC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000397489855 428510983 /nfs/dbraw/zinc/51/09/83/428510983.db2.gz HHKCPTOOVSWZJH-SJLPKXTDSA-N 1 3 302.462 2.792 20 0 DFADHO C[N@H+](CCCCc1ccc(Cl)c(Cl)c1)C[C@H](O)CN ZINC000415069611 428511048 /nfs/dbraw/zinc/51/10/48/428511048.db2.gz PGVLTECCNMNXMY-GFCCVEGCSA-N 1 3 305.249 2.568 20 0 DFADHO C[N@@H+](CCCCc1ccc(Cl)c(Cl)c1)C[C@H](O)CN ZINC000415069611 428511055 /nfs/dbraw/zinc/51/10/55/428511055.db2.gz PGVLTECCNMNXMY-GFCCVEGCSA-N 1 3 305.249 2.568 20 0 DFADHO CN(CCCCc1ccc(Cl)c(Cl)c1)C[C@H](O)C[NH3+] ZINC000415069611 428511058 /nfs/dbraw/zinc/51/10/58/428511058.db2.gz PGVLTECCNMNXMY-GFCCVEGCSA-N 1 3 305.249 2.568 20 0 DFADHO C[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000397497556 428512178 /nfs/dbraw/zinc/51/21/78/428512178.db2.gz FRKMQQRLRUWWPW-INIZCTEOSA-N 1 3 314.429 2.957 20 0 DFADHO OC1(C[NH2+]Cc2ccsc2)CCN(Cc2ccccc2)CC1 ZINC000397495827 428513067 /nfs/dbraw/zinc/51/30/67/428513067.db2.gz QARCKWRLOYSNBJ-UHFFFAOYSA-N 1 3 316.470 2.865 20 0 DFADHO CC(C)(C)[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415082779 428513141 /nfs/dbraw/zinc/51/31/41/428513141.db2.gz MCCZQNMSMPKDGY-QAPCUYQASA-N 1 3 317.477 2.561 20 0 DFADHO CC(C)CC(=O)N1CCC(N[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000415085765 428516010 /nfs/dbraw/zinc/51/60/10/428516010.db2.gz QUZBRVMGWQKPEV-AEFFLSMTSA-N 1 3 323.525 2.924 20 0 DFADHO Clc1ccccc1C1(C[NH2+]C2CCNCC2)CCOCC1 ZINC000415086445 428516391 /nfs/dbraw/zinc/51/63/91/428516391.db2.gz UOHVMGOFFVHNGJ-UHFFFAOYSA-N 1 3 308.853 2.730 20 0 DFADHO Clc1ccccc1C1(CNC2CC[NH2+]CC2)CCOCC1 ZINC000415086445 428516397 /nfs/dbraw/zinc/51/63/97/428516397.db2.gz UOHVMGOFFVHNGJ-UHFFFAOYSA-N 1 3 308.853 2.730 20 0 DFADHO COCc1cccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415106135 428520977 /nfs/dbraw/zinc/52/09/77/428520977.db2.gz JHNYPJZFNPJOGT-OALUTQOASA-N 1 3 318.461 2.551 20 0 DFADHO CCOc1cccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415102499 428522181 /nfs/dbraw/zinc/52/21/81/428522181.db2.gz CKCHYPAKRSEWEJ-RBUKOAKNSA-N 1 3 318.461 2.804 20 0 DFADHO CCN1CCN(c2cccc(N[C@@H](C)C[C@H]3CCC[NH2+]3)c2)CC1 ZINC000415101837 428522416 /nfs/dbraw/zinc/52/24/16/428522416.db2.gz IJGPZNXGFNNEFW-DLBZAZTESA-N 1 3 316.493 2.771 20 0 DFADHO Cc1nn(C)c(C)c1C[C@H](C)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415113811 428524683 /nfs/dbraw/zinc/52/46/83/428524683.db2.gz SQRVFNXRVMCMFX-JKIFEVAISA-N 1 3 306.498 2.868 20 0 DFADHO CC[C@@H](C)[C@H](C)N(CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000358197875 428586312 /nfs/dbraw/zinc/58/63/12/428586312.db2.gz ONAVALFEURKSSZ-CVEARBPZSA-N 1 3 323.525 2.874 20 0 DFADHO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)CNC3)c1 ZINC000347492397 428590338 /nfs/dbraw/zinc/59/03/38/428590338.db2.gz CSGBQNHTFOAEES-UHFFFAOYSA-N 1 3 323.440 2.672 20 0 DFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)CNC3)c1 ZINC000347492397 428590343 /nfs/dbraw/zinc/59/03/43/428590343.db2.gz CSGBQNHTFOAEES-UHFFFAOYSA-N 1 3 323.440 2.672 20 0 DFADHO CC(C)[C@H](CNC(=O)CC1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000347524434 428595129 /nfs/dbraw/zinc/59/51/29/428595129.db2.gz NCIXQTIBRMNJEF-SFHVURJKSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@H](CC[NH2+][C@@H]1CCN(C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000361755951 428593404 /nfs/dbraw/zinc/59/34/04/428593404.db2.gz SKGLPIVQOKXOMS-ZHALLVOQSA-N 1 3 303.494 2.827 20 0 DFADHO Cc1cc(F)ccc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415136542 428534822 /nfs/dbraw/zinc/53/48/22/428534822.db2.gz XFTUFBMDNGWDDQ-MSOLQXFVSA-N 1 3 306.425 2.852 20 0 DFADHO Cc1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000415136695 428535394 /nfs/dbraw/zinc/53/53/94/428535394.db2.gz XOKDXIMLMLJIDM-WBVHZDCISA-N 1 3 312.461 2.812 20 0 DFADHO CN(CCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353456685 428544765 /nfs/dbraw/zinc/54/47/65/428544765.db2.gz WFTAPSKLBFCPSO-VAMGGRTRSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H](NC[C@@]1(C)CCCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400442864 428545405 /nfs/dbraw/zinc/54/54/05/428545405.db2.gz ORTZYHYOGOKLQT-YTQUADARSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@H](c1cnccn1)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000373352337 428554962 /nfs/dbraw/zinc/55/49/62/428554962.db2.gz DVHHIXIMXIPERB-CABCVRRESA-N 1 3 300.450 2.734 20 0 DFADHO C[C@H](c1cnccn1)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000373352337 428554965 /nfs/dbraw/zinc/55/49/65/428554965.db2.gz DVHHIXIMXIPERB-CABCVRRESA-N 1 3 300.450 2.734 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC1CCN(Cc2ccncc2)CC1 ZINC000353501411 428568480 /nfs/dbraw/zinc/56/84/80/428568480.db2.gz ZARGMXVMXJCLLK-QGZVFWFLSA-N 1 3 318.509 2.756 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC1CCN(Cc2ccncc2)CC1 ZINC000353501411 428568485 /nfs/dbraw/zinc/56/84/85/428568485.db2.gz ZARGMXVMXJCLLK-QGZVFWFLSA-N 1 3 318.509 2.756 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000353501360 428568503 /nfs/dbraw/zinc/56/85/03/428568503.db2.gz MOQYKKQJGKLAGK-AEFFLSMTSA-N 1 3 319.493 2.790 20 0 DFADHO CC(C)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000361523940 428572880 /nfs/dbraw/zinc/57/28/80/428572880.db2.gz HOZNROKHSZSVMC-QGZVFWFLSA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)N1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000361523940 428572886 /nfs/dbraw/zinc/57/28/86/428572886.db2.gz HOZNROKHSZSVMC-QGZVFWFLSA-N 1 3 321.509 2.584 20 0 DFADHO Cc1oncc1CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000373428558 428575493 /nfs/dbraw/zinc/57/54/93/428575493.db2.gz YQHWRLBLPZBROM-UHFFFAOYSA-N 1 3 300.406 2.726 20 0 DFADHO CCOc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000353519408 428575776 /nfs/dbraw/zinc/57/57/76/428575776.db2.gz NGAHEXCZXWLBOE-UHFFFAOYSA-N 1 3 306.450 2.628 20 0 DFADHO Cc1ncc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(C)n1 ZINC000358032948 428576554 /nfs/dbraw/zinc/57/65/54/428576554.db2.gz DSGBYCPFGMZWMV-QLFBSQMISA-N 1 3 320.481 2.633 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000407300405 428579642 /nfs/dbraw/zinc/57/96/42/428579642.db2.gz BTGKNTZZKINBBW-MSOLQXFVSA-N 1 3 315.461 2.998 20 0 DFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000361838333 428598034 /nfs/dbraw/zinc/59/80/34/428598034.db2.gz SIBDEWJIUHUHBU-WCXIOVBPSA-N 1 3 309.498 2.628 20 0 DFADHO COc1ccc(C[N@H+](C)C[C@H]2CCCN(C)C2)c(C)c1OC ZINC000347581781 428612375 /nfs/dbraw/zinc/61/23/75/428612375.db2.gz HHHAEPLOFPVFJH-HNNXBMFYSA-N 1 3 306.450 2.786 20 0 DFADHO COc1ccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)c(C)c1OC ZINC000347581781 428612379 /nfs/dbraw/zinc/61/23/79/428612379.db2.gz HHHAEPLOFPVFJH-HNNXBMFYSA-N 1 3 306.450 2.786 20 0 DFADHO CCC[NH+]1CCC(CNC(=O)Nc2ccccc2CNC)CC1 ZINC000415907178 428621455 /nfs/dbraw/zinc/62/14/55/428621455.db2.gz AQPWAMKSNCHVEH-UHFFFAOYSA-N 1 3 318.465 2.650 20 0 DFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CNC)c2)C1 ZINC000415943414 428633834 /nfs/dbraw/zinc/63/38/34/428633834.db2.gz LWRUNRROOLUUBK-INIZCTEOSA-N 1 3 318.465 2.602 20 0 DFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CNC)c2)C1 ZINC000415943414 428633838 /nfs/dbraw/zinc/63/38/38/428633838.db2.gz LWRUNRROOLUUBK-INIZCTEOSA-N 1 3 318.465 2.602 20 0 DFADHO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C)[C@H]3CCC[C@@H]31)CCO2 ZINC000353680449 274137714 /nfs/dbraw/zinc/13/77/14/274137714.db2.gz JTEUCXXDNVCZRE-DDBAPUKQSA-N 1 3 316.445 2.981 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)C[C@H]1C ZINC000416000282 428647255 /nfs/dbraw/zinc/64/72/55/428647255.db2.gz WQZPERYIIFWAAT-DYVFJYSZSA-N 1 3 316.449 2.626 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)C[C@H]1C ZINC000416000282 428647263 /nfs/dbraw/zinc/64/72/63/428647263.db2.gz WQZPERYIIFWAAT-DYVFJYSZSA-N 1 3 316.449 2.626 20 0 DFADHO CC1=C[C@H](C)C[C@H](C[NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000353668727 428649875 /nfs/dbraw/zinc/64/98/75/428649875.db2.gz ABKCOUUBALTORF-WMZOPIPTSA-N 1 3 321.509 2.561 20 0 DFADHO CC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000416146430 428676600 /nfs/dbraw/zinc/67/66/00/428676600.db2.gz UTVZSYBHESTXBS-AEFFLSMTSA-N 1 3 317.477 2.528 20 0 DFADHO CC[N@H+]1CCC[C@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000416146430 428676605 /nfs/dbraw/zinc/67/66/05/428676605.db2.gz UTVZSYBHESTXBS-AEFFLSMTSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@@H]1C[N@H+](CCCN[C@@H]2CCc3c2cccc3F)CCCO1 ZINC000278809572 274347598 /nfs/dbraw/zinc/34/75/98/274347598.db2.gz ZOAAQJGAQZRFOS-RDTXWAMCSA-N 1 3 306.425 2.904 20 0 DFADHO C[C@@H]1C[N@@H+](CCCN[C@@H]2CCc3c2cccc3F)CCCO1 ZINC000278809572 274347599 /nfs/dbraw/zinc/34/75/99/274347599.db2.gz ZOAAQJGAQZRFOS-RDTXWAMCSA-N 1 3 306.425 2.904 20 0 DFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416246207 428701194 /nfs/dbraw/zinc/70/11/94/428701194.db2.gz UPASCJITMSBOCR-ZWKOTPCHSA-N 1 3 317.477 2.670 20 0 DFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416246207 428701201 /nfs/dbraw/zinc/70/12/01/428701201.db2.gz UPASCJITMSBOCR-ZWKOTPCHSA-N 1 3 317.477 2.670 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)c(OC)co1 ZINC000348317370 428705846 /nfs/dbraw/zinc/70/58/46/428705846.db2.gz IGNALVRNRBHVHK-HOCLYGCPSA-N 1 3 322.449 2.639 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000348258319 428681551 /nfs/dbraw/zinc/68/15/51/428681551.db2.gz AARYFQJTLCBBMX-ONCXSQPRSA-N 1 3 315.505 2.969 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348262032 428683220 /nfs/dbraw/zinc/68/32/20/428683220.db2.gz HZDZAOSDNFLQQH-WOJBJXKFSA-N 1 3 315.505 2.797 20 0 DFADHO CC(C)N1CCC[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416201491 428690917 /nfs/dbraw/zinc/69/09/17/428690917.db2.gz GEPORBPTIOULJP-MSOLQXFVSA-N 1 3 317.477 2.668 20 0 DFADHO CN(C)[C@H](CC(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000416225787 428692132 /nfs/dbraw/zinc/69/21/32/428692132.db2.gz TXXROCRBBMSLJL-QZTJIDSGSA-N 1 3 317.477 2.622 20 0 DFADHO C1C[C@]2(CO1)C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)CCO2 ZINC000374525990 428692823 /nfs/dbraw/zinc/69/28/23/428692823.db2.gz DGCCLWYYPLLKDO-PKOBYXMFSA-N 1 3 322.493 2.711 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416232675 428694450 /nfs/dbraw/zinc/69/44/50/428694450.db2.gz GLKOECDYALDUEP-SJLPKXTDSA-N 1 3 319.493 2.916 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416232675 428694454 /nfs/dbraw/zinc/69/44/54/428694454.db2.gz GLKOECDYALDUEP-SJLPKXTDSA-N 1 3 319.493 2.916 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCC3(O)CCOCC3)CC2)C1 ZINC000353866528 428753211 /nfs/dbraw/zinc/75/32/11/428753211.db2.gz MWCZHRARMQOSHP-AEFFLSMTSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCC3(O)CCOCC3)CC2)C1 ZINC000353866528 428753215 /nfs/dbraw/zinc/75/32/15/428753215.db2.gz MWCZHRARMQOSHP-AEFFLSMTSA-N 1 3 324.509 2.551 20 0 DFADHO Cc1nc(CO[C@@H]2CC[N@@H+](CC[C@H]3CCCN3C)C2)cs1 ZINC000374882044 428773358 /nfs/dbraw/zinc/77/33/58/428773358.db2.gz VIQPPOFRBMSJAR-HZPDHXFCSA-N 1 3 309.479 2.527 20 0 DFADHO Cc1nc(CO[C@@H]2CC[N@H+](CC[C@H]3CCCN3C)C2)cs1 ZINC000374882044 428773361 /nfs/dbraw/zinc/77/33/61/428773361.db2.gz VIQPPOFRBMSJAR-HZPDHXFCSA-N 1 3 309.479 2.527 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cccc(C)n2)[C@@H](C)C1 ZINC000359018768 428775509 /nfs/dbraw/zinc/77/55/09/428775509.db2.gz YZPOWTDHMRXMJV-QFBILLFUSA-N 1 3 319.493 2.659 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cccc(C)n2)[C@@H](C)C1 ZINC000359018768 428775511 /nfs/dbraw/zinc/77/55/11/428775511.db2.gz YZPOWTDHMRXMJV-QFBILLFUSA-N 1 3 319.493 2.659 20 0 DFADHO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000353941253 428785987 /nfs/dbraw/zinc/78/59/87/428785987.db2.gz FTNNBRLSJNTRGQ-MJGOQNOKSA-N 1 3 320.477 2.922 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCN2CCCC[C@@H]2C)[C@H]1C ZINC000353944128 428789645 /nfs/dbraw/zinc/78/96/45/428789645.db2.gz JSYKXTKZKRVNBD-QAETUUGQSA-N 1 3 310.482 2.818 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCN2CCCC[C@H]2C)[C@H]1C ZINC000353944130 428789973 /nfs/dbraw/zinc/78/99/73/428789973.db2.gz JSYKXTKZKRVNBD-QZWWFDLISA-N 1 3 310.482 2.818 20 0 DFADHO CCC[C@@]1(C)CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000362432551 428741255 /nfs/dbraw/zinc/74/12/55/428741255.db2.gz ANBOXPZRICQOKY-IBGZPJMESA-N 1 3 321.509 2.632 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1(C)CCCC1 ZINC000345195872 428794808 /nfs/dbraw/zinc/79/48/08/428794808.db2.gz JFQFLSVFEUJITE-KRWDZBQOSA-N 1 3 323.525 2.831 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1(C)CCCC1 ZINC000345195872 428794814 /nfs/dbraw/zinc/79/48/14/428794814.db2.gz JFQFLSVFEUJITE-KRWDZBQOSA-N 1 3 323.525 2.831 20 0 DFADHO C[C@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1O ZINC000411438918 428798287 /nfs/dbraw/zinc/79/82/87/428798287.db2.gz CYNYWVRFNRZODA-LPHOPBHVSA-N 1 3 302.462 2.875 20 0 DFADHO COCC[NH+]1CCC(NCc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000359075367 428805097 /nfs/dbraw/zinc/80/50/97/428805097.db2.gz YZLNWIJMAREVBC-UHFFFAOYSA-N 1 3 315.461 2.985 20 0 DFADHO CCCNC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359116188 428823859 /nfs/dbraw/zinc/82/38/59/428823859.db2.gz PNUKCBOIGRGMPU-FUHWJXTLSA-N 1 3 317.477 2.545 20 0 DFADHO CCCNC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359116188 428823863 /nfs/dbraw/zinc/82/38/63/428823863.db2.gz PNUKCBOIGRGMPU-FUHWJXTLSA-N 1 3 317.477 2.545 20 0 DFADHO CCCNC(=O)CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359116193 428824780 /nfs/dbraw/zinc/82/47/80/428824780.db2.gz PNUKCBOIGRGMPU-WMZOPIPTSA-N 1 3 317.477 2.545 20 0 DFADHO CCCNC(=O)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359116193 428824786 /nfs/dbraw/zinc/82/47/86/428824786.db2.gz PNUKCBOIGRGMPU-WMZOPIPTSA-N 1 3 317.477 2.545 20 0 DFADHO Cc1ccc(-c2ncc(CNCCOCC[NH+](C)C)s2)cc1 ZINC000354192100 428906958 /nfs/dbraw/zinc/90/69/58/428906958.db2.gz VUKGPZGWZPZGGC-UHFFFAOYSA-N 1 3 319.474 2.786 20 0 DFADHO Cc1cccc([C@@H](C)NCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000411884916 428878709 /nfs/dbraw/zinc/87/87/09/428878709.db2.gz XBPZQLCWUMVELX-MRXNPFEDSA-N 1 3 317.477 2.635 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccccc1F ZINC000349062508 428911421 /nfs/dbraw/zinc/91/14/21/428911421.db2.gz MMIOHCDIFFDWNU-KRWDZBQOSA-N 1 3 307.457 2.674 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccccc1F ZINC000349062508 428911426 /nfs/dbraw/zinc/91/14/26/428911426.db2.gz MMIOHCDIFFDWNU-KRWDZBQOSA-N 1 3 307.457 2.674 20 0 DFADHO CN1CC[NH+](C[C@H]2CCCN(c3ccnc4ccccc43)C2)CC1 ZINC000363406043 428912474 /nfs/dbraw/zinc/91/24/74/428912474.db2.gz KQIZKHKVESQGTH-QGZVFWFLSA-N 1 3 324.472 2.699 20 0 DFADHO CCc1cnc(CN(CC[NH+](C)C)C[C@@H]2CCCN2CC)s1 ZINC000349061321 428912805 /nfs/dbraw/zinc/91/28/05/428912805.db2.gz ITDAWGUHJDELHE-HNNXBMFYSA-N 1 3 324.538 2.553 20 0 DFADHO CC(C)[C@@H](CNC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000354206484 428914100 /nfs/dbraw/zinc/91/41/00/428914100.db2.gz CPWGUWALBXGQNF-RTBURBONSA-N 1 3 304.478 2.863 20 0 DFADHO CCn1cc(CCN2CCC(C[NH+]3CCC(C)CC3)CC2)cn1 ZINC000375672690 428938356 /nfs/dbraw/zinc/93/83/56/428938356.db2.gz NJTOXKCUWRWGRQ-UHFFFAOYSA-N 1 3 318.509 2.889 20 0 DFADHO c1ccc([C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccncn2)cc1 ZINC000423555606 428971783 /nfs/dbraw/zinc/97/17/83/428971783.db2.gz YDIDKHCMOWLYNC-BMFAXAFESA-N 1 3 308.429 2.544 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000359379683 428947571 /nfs/dbraw/zinc/94/75/71/428947571.db2.gz PGVOXXIBOKYGJI-OAGGEKHMSA-N 1 3 307.507 2.815 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](c1cccs1)N1CCCC1 ZINC000359379683 428947574 /nfs/dbraw/zinc/94/75/74/428947574.db2.gz PGVOXXIBOKYGJI-OAGGEKHMSA-N 1 3 307.507 2.815 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](c1cccs1)N1CCCC1 ZINC000359379683 428947578 /nfs/dbraw/zinc/94/75/78/428947578.db2.gz PGVOXXIBOKYGJI-OAGGEKHMSA-N 1 3 307.507 2.815 20 0 DFADHO C[C@@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N1[C@H](C)CC[C@@H]1C ZINC000412125087 428959605 /nfs/dbraw/zinc/95/96/05/428959605.db2.gz GLKMXBIGTAKGDK-XUWVNRHRSA-N 1 3 311.514 2.730 20 0 DFADHO Cc1ccc(CCN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000363681212 428968773 /nfs/dbraw/zinc/96/87/73/428968773.db2.gz USHFLCGTBSHARH-SFHVURJKSA-N 1 3 315.505 2.638 20 0 DFADHO Cc1ccc(CCN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000363681212 428968777 /nfs/dbraw/zinc/96/87/77/428968777.db2.gz USHFLCGTBSHARH-SFHVURJKSA-N 1 3 315.505 2.638 20 0 DFADHO COc1cc(F)c([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000423536972 428969688 /nfs/dbraw/zinc/96/96/88/428969688.db2.gz BJZOSTTUSRZJMV-XDQVBPFNSA-N 1 3 322.424 2.882 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423777700 429016074 /nfs/dbraw/zinc/01/60/74/429016074.db2.gz SBUYALSDBYKWPA-DOTOQJQBSA-N 1 3 319.493 2.949 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423777700 429016078 /nfs/dbraw/zinc/01/60/78/429016078.db2.gz SBUYALSDBYKWPA-DOTOQJQBSA-N 1 3 319.493 2.949 20 0 DFADHO Cc1ccc2[nH]c(C[NH2+]C[C@H](O)CN3CCCCC3)cc2c1C ZINC000349628260 429016351 /nfs/dbraw/zinc/01/63/51/429016351.db2.gz FXZGMPQKHKXCQM-KRWDZBQOSA-N 1 3 315.461 2.721 20 0 DFADHO C[C@@H](C1CCC1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000355067702 429027316 /nfs/dbraw/zinc/02/73/16/429027316.db2.gz YBHHTWDDCLYDAF-MAUKXSAKSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@@H](C1CCC1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000355067702 429027319 /nfs/dbraw/zinc/02/73/19/429027319.db2.gz YBHHTWDDCLYDAF-MAUKXSAKSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@@H](C(=O)N(CCN(C)C)C1CCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000412198398 428980645 /nfs/dbraw/zinc/98/06/45/428980645.db2.gz WRWVOMBUJYKTKI-OAGGEKHMSA-N 1 3 309.498 2.581 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+]C3CC(C)(C)C3)cc2)CC1 ZINC000433171887 429003404 /nfs/dbraw/zinc/00/34/04/429003404.db2.gz FONXNWSCYRVQCI-UHFFFAOYSA-N 1 3 301.478 2.712 20 0 DFADHO c1ccc([C@@H]2C[C@H]2CN2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000349561340 429005871 /nfs/dbraw/zinc/00/58/71/429005871.db2.gz IHUZYYGOZUWRDY-PMACEKPBSA-N 1 3 313.489 2.504 20 0 DFADHO C/C=C\COc1ccc(CC[C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423447760 429089401 /nfs/dbraw/zinc/08/94/01/429089401.db2.gz AFLMHCCCZKMBJK-MAPBGCFFSA-N 1 3 300.446 2.770 20 0 DFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H](N)CC1CCCCC1 ZINC000423453232 429091034 /nfs/dbraw/zinc/09/10/34/429091034.db2.gz ZXQGOIOHRXUNOD-SJORKVTESA-N 1 3 309.498 2.617 20 0 DFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H](N)CC1CCCCC1 ZINC000423453232 429091038 /nfs/dbraw/zinc/09/10/38/429091038.db2.gz ZXQGOIOHRXUNOD-SJORKVTESA-N 1 3 309.498 2.617 20 0 DFADHO CO[C@@H]1CCCC[C@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969988 429052471 /nfs/dbraw/zinc/05/24/71/429052471.db2.gz VOILQYITEMMRJQ-PSBWJHGTSA-N 1 3 316.445 2.790 20 0 DFADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423285255 429059003 /nfs/dbraw/zinc/05/90/03/429059003.db2.gz YYLHRNWUNOSTPJ-SOUVJXGZSA-N 1 3 319.449 2.519 20 0 DFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423285255 429059006 /nfs/dbraw/zinc/05/90/06/429059006.db2.gz YYLHRNWUNOSTPJ-SOUVJXGZSA-N 1 3 319.449 2.519 20 0 DFADHO Fc1ccccc1CC(Cc1ccccc1F)NCC1C[NH2+]C1 ZINC000423305281 429059387 /nfs/dbraw/zinc/05/93/87/429059387.db2.gz QJTUITNBZJXJMH-UHFFFAOYSA-N 1 3 316.395 2.928 20 0 DFADHO Fc1ccccc1CC(Cc1ccccc1F)[NH2+]CC1CNC1 ZINC000423305281 429059395 /nfs/dbraw/zinc/05/93/95/429059395.db2.gz QJTUITNBZJXJMH-UHFFFAOYSA-N 1 3 316.395 2.928 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000423307598 429060074 /nfs/dbraw/zinc/06/00/74/429060074.db2.gz HJCFYTDWKXANGN-KDOFPFPSSA-N 1 3 311.429 2.739 20 0 DFADHO Cc1c([C@H](C)NCCC[C@H]2CCC[NH2+]2)nnn1-c1ccccc1 ZINC000423481901 429096953 /nfs/dbraw/zinc/09/69/53/429096953.db2.gz OQYLMMGYIYYMPR-HOCLYGCPSA-N 1 3 313.449 2.759 20 0 DFADHO CCCC[C@H](C[NH3+])N[C@@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000423303346 429060721 /nfs/dbraw/zinc/06/07/21/429060721.db2.gz WXKWBYWODVTGGJ-QXAKKESOSA-N 1 3 319.493 2.556 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)NCc2ccccc2CN(C)C)cc1 ZINC000423310555 429060731 /nfs/dbraw/zinc/06/07/31/429060731.db2.gz NVVYQJLPGRHVLR-AWEZNQCLSA-N 1 3 311.429 2.698 20 0 DFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423318149 429062316 /nfs/dbraw/zinc/06/23/16/429062316.db2.gz CQPIZCOYSWNCLT-IRXDYDNUSA-N 1 3 319.493 2.805 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1NCCCC1(C)C ZINC000423321049 429062739 /nfs/dbraw/zinc/06/27/39/429062739.db2.gz FXMSKWXDGPDQMQ-HOTGVXAUSA-N 1 3 309.498 2.535 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1NCCCC1(C)C ZINC000423321049 429062743 /nfs/dbraw/zinc/06/27/43/429062743.db2.gz FXMSKWXDGPDQMQ-HOTGVXAUSA-N 1 3 309.498 2.535 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2C[C@H](C)CCN2)c1 ZINC000423327930 429064850 /nfs/dbraw/zinc/06/48/50/429064850.db2.gz NJAWNRKCFMBGDB-QAPCUYQASA-N 1 3 317.477 2.533 20 0 DFADHO [NH3+]C1(CN[C@H]2CCc3cccc(Br)c3C2)CCC1 ZINC000423326982 429066060 /nfs/dbraw/zinc/06/60/60/429066060.db2.gz MPWDEKBNJGJVCU-LBPRGKRZSA-N 1 3 309.251 2.777 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1 ZINC000423329570 429066381 /nfs/dbraw/zinc/06/63/81/429066381.db2.gz MVTSHFJSKMCJKC-ILXRZTDVSA-N 1 3 303.450 2.557 20 0 DFADHO C[C@@H]1C[C@H](NC[C@]2(C)CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000423343607 429070187 /nfs/dbraw/zinc/07/01/87/429070187.db2.gz XACXHDQBMOOVMV-NZSAHSFTSA-N 1 3 301.478 2.629 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423363734 429071415 /nfs/dbraw/zinc/07/14/15/429071415.db2.gz VCWHTZHGGVUARV-IRXDYDNUSA-N 1 3 309.498 2.521 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423363734 429071419 /nfs/dbraw/zinc/07/14/19/429071419.db2.gz VCWHTZHGGVUARV-IRXDYDNUSA-N 1 3 309.498 2.521 20 0 DFADHO Cc1ccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000423381052 429076616 /nfs/dbraw/zinc/07/66/16/429076616.db2.gz HPVHSMDNZBOTIO-YPMHNXCESA-N 1 3 321.412 2.543 20 0 DFADHO Cn1cc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000376208395 429076867 /nfs/dbraw/zinc/07/68/67/429076867.db2.gz GTBVSUABGZLFSS-IHWFROFDSA-N 1 3 324.472 2.748 20 0 DFADHO Cn1cc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000376208395 429076871 /nfs/dbraw/zinc/07/68/71/429076871.db2.gz GTBVSUABGZLFSS-IHWFROFDSA-N 1 3 324.472 2.748 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423391287 429080161 /nfs/dbraw/zinc/08/01/61/429080161.db2.gz KQVRCBCNZTUGRS-KNCCTNLNSA-N 1 3 306.425 2.881 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)cc1OC ZINC000423407426 429082132 /nfs/dbraw/zinc/08/21/32/429082132.db2.gz VTSKGGZUOKVCIZ-DZKIICNBSA-N 1 3 306.450 2.531 20 0 DFADHO COc1cc(C)c(C[C@H](C)N[C@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000423407426 429082136 /nfs/dbraw/zinc/08/21/36/429082136.db2.gz VTSKGGZUOKVCIZ-DZKIICNBSA-N 1 3 306.450 2.531 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423403418 429082327 /nfs/dbraw/zinc/08/23/27/429082327.db2.gz SEYSXCDFRRCQLB-UBDQQSCGSA-N 1 3 302.462 2.958 20 0 DFADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423403418 429082329 /nfs/dbraw/zinc/08/23/29/429082329.db2.gz SEYSXCDFRRCQLB-UBDQQSCGSA-N 1 3 302.462 2.958 20 0 DFADHO COCC1(CN[C@H](C)c2nc3c(s2)CCCC3)CC[NH2+]CC1 ZINC000423413730 429083456 /nfs/dbraw/zinc/08/34/56/429083456.db2.gz ZWRHXOJCAJGVFX-CYBMUJFWSA-N 1 3 323.506 2.689 20 0 DFADHO CC[C@@H]1CCCCN1CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423415003 429083755 /nfs/dbraw/zinc/08/37/55/429083755.db2.gz CZHKRDBRMGZBFV-RHSMWYFYSA-N 1 3 303.450 2.701 20 0 DFADHO COC[C@]1(C[NH2+][C@@H](C)Cc2coc3ccccc23)CCCN1 ZINC000423413233 429083876 /nfs/dbraw/zinc/08/38/76/429083876.db2.gz JVTPRLRUIAUKHM-KBXCAEBGSA-N 1 3 302.418 2.722 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000423419293 429084950 /nfs/dbraw/zinc/08/49/50/429084950.db2.gz VOYQBPHXOFKBOD-QZTJIDSGSA-N 1 3 321.509 2.665 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000423419293 429084955 /nfs/dbraw/zinc/08/49/55/429084955.db2.gz VOYQBPHXOFKBOD-QZTJIDSGSA-N 1 3 321.509 2.665 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000424434496 429142907 /nfs/dbraw/zinc/14/29/07/429142907.db2.gz JXUDUNOTCQROEN-HNNXBMFYSA-N 1 3 318.465 2.553 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000424434496 429142914 /nfs/dbraw/zinc/14/29/14/429142914.db2.gz JXUDUNOTCQROEN-HNNXBMFYSA-N 1 3 318.465 2.553 20 0 DFADHO C[C@@H]1C[C@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CN1C1CC1 ZINC000424138978 429098473 /nfs/dbraw/zinc/09/84/73/429098473.db2.gz CTWDVHAKBMWYCZ-OIISXLGYSA-N 1 3 321.509 2.806 20 0 DFADHO Clc1cccc([C@@H]2CC[C@@H]([NH2+]C[C@H]3CNCCCO3)C2)c1 ZINC000423492843 429098583 /nfs/dbraw/zinc/09/85/83/429098583.db2.gz OVGKWHMGCMYAMP-DJIMGWMZSA-N 1 3 308.853 2.944 20 0 DFADHO Clc1cccc([C@@H]2CC[C@@H](NC[C@H]3C[NH2+]CCCO3)C2)c1 ZINC000423492843 429098588 /nfs/dbraw/zinc/09/85/88/429098588.db2.gz OVGKWHMGCMYAMP-DJIMGWMZSA-N 1 3 308.853 2.944 20 0 DFADHO C[C@@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)N(C)C1CC1 ZINC000424143228 429098812 /nfs/dbraw/zinc/09/88/12/429098812.db2.gz FNTNQDFFPMTFMQ-HOCLYGCPSA-N 1 3 309.498 2.663 20 0 DFADHO CCN(CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1)C1CC1 ZINC000424162513 429103060 /nfs/dbraw/zinc/10/30/60/429103060.db2.gz WYTUAVURRPDMMI-INIZCTEOSA-N 1 3 309.498 2.665 20 0 DFADHO CCN(Cc1ccc(C(=O)NC2(C)CC[NH2+]CC2)cc1)C1CC1 ZINC000434678840 429105094 /nfs/dbraw/zinc/10/50/94/429105094.db2.gz KYNZVZLTQONPBL-UHFFFAOYSA-N 1 3 315.461 2.543 20 0 DFADHO c1ccc([C@@H]2CNC[C@H]2[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000423525660 429108868 /nfs/dbraw/zinc/10/88/68/429108868.db2.gz KUKCJPIUTYDLDW-UJMXGEILSA-N 1 3 314.473 2.927 20 0 DFADHO Cc1ccc(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1C ZINC000424287475 429120216 /nfs/dbraw/zinc/12/02/16/429120216.db2.gz IVXUZLXQUDGYRD-MRXNPFEDSA-N 1 3 315.461 2.706 20 0 DFADHO C[N@H+](CCSCCN1CCCOCC1)Cc1ccccc1 ZINC000413008594 429121976 /nfs/dbraw/zinc/12/19/76/429121976.db2.gz YIBUSVWECIMDBW-UHFFFAOYSA-N 1 3 308.491 2.574 20 0 DFADHO C[N@@H+](CCSCCN1CCCOCC1)Cc1ccccc1 ZINC000413008594 429121980 /nfs/dbraw/zinc/12/19/80/429121980.db2.gz YIBUSVWECIMDBW-UHFFFAOYSA-N 1 3 308.491 2.574 20 0 DFADHO CN1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)Cc2ccccc21 ZINC000424307460 429124946 /nfs/dbraw/zinc/12/49/46/429124946.db2.gz XPLUWLIMLCEWKT-KRWDZBQOSA-N 1 3 313.420 2.820 20 0 DFADHO CN1CC[N@H+](C[C@H](CN)c2ccc(F)cc2)Cc2ccccc21 ZINC000424307460 429124950 /nfs/dbraw/zinc/12/49/50/429124950.db2.gz XPLUWLIMLCEWKT-KRWDZBQOSA-N 1 3 313.420 2.820 20 0 DFADHO CN1CC[N@@H+](C[C@H](CN)c2ccc(F)cc2)Cc2ccccc21 ZINC000424307460 429124954 /nfs/dbraw/zinc/12/49/54/429124954.db2.gz XPLUWLIMLCEWKT-KRWDZBQOSA-N 1 3 313.420 2.820 20 0 DFADHO COC(=O)CC1CC(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000424324685 429126495 /nfs/dbraw/zinc/12/64/95/429126495.db2.gz XAGXONUAFPNTQG-DAWZGUTISA-N 1 3 322.493 2.962 20 0 DFADHO COC(=O)CC1CC(NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000424324685 429126497 /nfs/dbraw/zinc/12/64/97/429126497.db2.gz XAGXONUAFPNTQG-DAWZGUTISA-N 1 3 322.493 2.962 20 0 DFADHO [NH3+][C@@H]1CCCC[C@H]1NCCCc1nc(-c2ccccc2)no1 ZINC000424329358 429128659 /nfs/dbraw/zinc/12/86/59/429128659.db2.gz GDRWNXMWBBKTRN-HUUCEWRRSA-N 1 3 300.406 2.529 20 0 DFADHO C[NH2+]C[C@@H]1CCCN(C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000435369888 429134104 /nfs/dbraw/zinc/13/41/04/429134104.db2.gz GKAYJBGRKCZYNY-ZBFHGGJFSA-N 1 3 308.441 2.944 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000435377805 429136499 /nfs/dbraw/zinc/13/64/99/429136499.db2.gz FKJQGFINFPEXRP-AEGPPILISA-N 1 3 300.406 2.537 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CCC(=O)NC1(C)C)[NH+]1CCCCCC1 ZINC000494924681 429165318 /nfs/dbraw/zinc/16/53/18/429165318.db2.gz QYGMSCHCUKSUOO-JKSUJKDBSA-N 1 3 309.498 2.534 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000435940457 429172419 /nfs/dbraw/zinc/17/24/19/429172419.db2.gz RCPMAFXVJKIAMQ-OWCLPIDISA-N 1 3 309.498 2.579 20 0 DFADHO C(C1CCC2(CC1)OCCO2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000190243036 275389712 /nfs/dbraw/zinc/38/97/12/275389712.db2.gz NUIBAFCCFOVMMS-GOSISDBHSA-N 1 3 322.493 2.870 20 0 DFADHO CN(C[C@@H](O)CC1CCCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000364489569 429212901 /nfs/dbraw/zinc/21/29/01/429212901.db2.gz GSTZYODSCJWRMQ-IBGZPJMESA-N 1 3 324.509 2.503 20 0 DFADHO c1ccc(C[N@H+]2CCC3(C2)CCN(Cc2cncnc2)CC3)cc1 ZINC000364441854 429204734 /nfs/dbraw/zinc/20/47/34/429204734.db2.gz PDLODYQBURLUGR-UHFFFAOYSA-N 1 3 322.456 2.965 20 0 DFADHO c1ccc(C[N@@H+]2CCC3(C2)CCN(Cc2cncnc2)CC3)cc1 ZINC000364441854 429204738 /nfs/dbraw/zinc/20/47/38/429204738.db2.gz PDLODYQBURLUGR-UHFFFAOYSA-N 1 3 322.456 2.965 20 0 DFADHO C[C@@H]1C[C@H](C[NH3+])CN1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000442767333 429235481 /nfs/dbraw/zinc/23/54/81/429235481.db2.gz YJTNDEOVZWVLPP-VXGBXAGGSA-N 1 3 320.824 2.602 20 0 DFADHO CCOC(=O)N1CCC([C@H](C)[NH2+]CCCN(CC)CC)CC1 ZINC000495658401 429241046 /nfs/dbraw/zinc/24/10/46/429241046.db2.gz OJGUMJMITLDNRL-HNNXBMFYSA-N 1 3 313.486 2.565 20 0 DFADHO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000425331098 429267599 /nfs/dbraw/zinc/26/75/99/429267599.db2.gz AJIVLXXRWBAZCW-QZTJIDSGSA-N 1 3 320.502 2.627 20 0 DFADHO CC(C)C[C@H](CN1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000489991508 429272923 /nfs/dbraw/zinc/27/29/23/429272923.db2.gz UGVJYMNIBSVVBU-UXHICEINSA-N 1 3 315.505 2.796 20 0 DFADHO CS[C@@H]1CC[C@@H]1[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000425361595 429278361 /nfs/dbraw/zinc/27/83/61/429278361.db2.gz UJMUIYJIRVGGHS-DLBZAZTESA-N 1 3 308.491 2.653 20 0 DFADHO CC(=O)NCCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449070684 429323044 /nfs/dbraw/zinc/32/30/44/429323044.db2.gz LGJWUIUEHKOIMN-UHFFFAOYSA-N 1 3 311.514 2.781 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2ccc(C)cc2OC)CC1 ZINC000449077099 429326045 /nfs/dbraw/zinc/32/60/45/429326045.db2.gz IVGLETVMUIJPCW-UHFFFAOYSA-N 1 3 319.493 2.511 20 0 DFADHO CC1(C)CC[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000449109198 429334722 /nfs/dbraw/zinc/33/47/22/429334722.db2.gz VQYWLLDSMXSIEV-QGZVFWFLSA-N 1 3 316.493 2.762 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCOC2)CC1 ZINC000449121465 429338093 /nfs/dbraw/zinc/33/80/93/429338093.db2.gz HURDSTYXXVIMNB-VQIMIIECSA-N 1 3 302.462 2.851 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000449134205 429339580 /nfs/dbraw/zinc/33/95/80/429339580.db2.gz HNEYPLULCVCSIP-IIAWOOMASA-N 1 3 323.506 2.635 20 0 DFADHO CO[C@H](C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)C1CC1 ZINC000425427833 429293633 /nfs/dbraw/zinc/29/36/33/429293633.db2.gz VJISGACIGXXIFL-GPMSIDNRSA-N 1 3 324.509 2.623 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)N ZINC000517891749 429403546 /nfs/dbraw/zinc/40/35/46/429403546.db2.gz SKPYKSZPUNPSST-SNVBAGLBSA-N 1 3 317.355 2.749 20 0 DFADHO CC(C)[C@H]1C[C@@H](CNCc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425892861 429348786 /nfs/dbraw/zinc/34/87/86/429348786.db2.gz AVJDHKALXLPKKY-KBXCAEBGSA-N 1 3 321.465 2.682 20 0 DFADHO CC(C)(C)[C@@H]1C[C@H](NCc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425894417 429349527 /nfs/dbraw/zinc/34/95/27/429349527.db2.gz GMWUIGZXWZKVIL-PBHICJAKSA-N 1 3 321.465 2.825 20 0 DFADHO OCC[C@@H](NCc1cc(C2CC[NH2+]CC2)no1)C1CCCCC1 ZINC000425897496 429351479 /nfs/dbraw/zinc/35/14/79/429351479.db2.gz UQCZCNQKLSBJLI-QGZVFWFLSA-N 1 3 321.465 2.563 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCO[C@H]2C)CC1 ZINC000449214899 429360294 /nfs/dbraw/zinc/36/02/94/429360294.db2.gz MPQPMENCLDXKDK-JTDSTZFVSA-N 1 3 302.462 2.849 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CCC1 ZINC000449223117 429361651 /nfs/dbraw/zinc/36/16/51/429361651.db2.gz JGGNNRQMJKTAEB-SFHVURJKSA-N 1 3 317.477 2.646 20 0 DFADHO CN(Cc1ccncc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000449242003 429365092 /nfs/dbraw/zinc/36/50/92/429365092.db2.gz VRTOCMIJOYWMBG-UHFFFAOYSA-N 1 3 314.408 2.964 20 0 DFADHO C=Cn1cc(CN2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)cn1 ZINC000365795441 429373952 /nfs/dbraw/zinc/37/39/52/429373952.db2.gz NLYPSRGWKLFQDG-INIZCTEOSA-N 1 3 300.450 2.680 20 0 DFADHO C=Cn1cc(CN2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cn1 ZINC000365795441 429373957 /nfs/dbraw/zinc/37/39/57/429373957.db2.gz NLYPSRGWKLFQDG-INIZCTEOSA-N 1 3 300.450 2.680 20 0 DFADHO C[C@@H](C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)CN(C)C ZINC000491591753 429376483 /nfs/dbraw/zinc/37/64/83/429376483.db2.gz OABLCYSNWJBRTQ-MAUKXSAKSA-N 1 3 306.450 2.532 20 0 DFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000449319923 429386056 /nfs/dbraw/zinc/38/60/56/429386056.db2.gz HIZICZVIPSKLID-ZWKOTPCHSA-N 1 3 321.509 2.619 20 0 DFADHO Cc1ccc([C@H](CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000449331265 429389176 /nfs/dbraw/zinc/38/91/76/429389176.db2.gz XWAOUGHCBREUGE-SQNIBIBYSA-N 1 3 317.477 2.622 20 0 DFADHO COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(C)c1OC ZINC000449560836 429448610 /nfs/dbraw/zinc/44/86/10/429448610.db2.gz QAFIWODAULWXFK-MQVJKMGUSA-N 1 3 304.434 2.727 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCN[C@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000519110500 429448897 /nfs/dbraw/zinc/44/88/97/429448897.db2.gz AGVKMLNWJKMJGI-HOCLYGCPSA-N 1 3 305.470 2.748 20 0 DFADHO C[N@H+]1CCC[C@@H](CCN[C@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000519110500 429448900 /nfs/dbraw/zinc/44/89/00/429448900.db2.gz AGVKMLNWJKMJGI-HOCLYGCPSA-N 1 3 305.470 2.748 20 0 DFADHO CCO[C@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)C12CCOCC2 ZINC000366438420 429453212 /nfs/dbraw/zinc/45/32/12/429453212.db2.gz ZBMOWPIQKWTXNR-FOIPXRHGSA-N 1 3 322.493 2.567 20 0 DFADHO C[C@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000366490182 429464089 /nfs/dbraw/zinc/46/40/89/429464089.db2.gz NNKJDIJGIYGTHD-BEFAXECRSA-N 1 3 316.445 2.937 20 0 DFADHO C[C@H](c1ccc2c(c1)OCCCO2)[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000366490182 429464093 /nfs/dbraw/zinc/46/40/93/429464093.db2.gz NNKJDIJGIYGTHD-BEFAXECRSA-N 1 3 316.445 2.937 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCn3ccnc3C2)CC1 ZINC000427873366 429475980 /nfs/dbraw/zinc/47/59/80/429475980.db2.gz KVVWIVGNZGQTKK-KBAYOESNSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCn3ccnc3C2)CC1 ZINC000427873366 429475982 /nfs/dbraw/zinc/47/59/82/429475982.db2.gz KVVWIVGNZGQTKK-KBAYOESNSA-N 1 3 316.493 2.831 20 0 DFADHO CC(C)(C)OC(=O)NCCCNC1CC([NH+]2CCCCC2)C1 ZINC000492150341 429477481 /nfs/dbraw/zinc/47/74/81/429477481.db2.gz NXLCDVIZZCRBBO-UHFFFAOYSA-N 1 3 311.470 2.508 20 0 DFADHO O[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000449738996 429492659 /nfs/dbraw/zinc/49/26/59/429492659.db2.gz HSLPLJHOUAHXJJ-VNTMZGSJSA-N 1 3 314.473 2.648 20 0 DFADHO O[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000449738994 429493544 /nfs/dbraw/zinc/49/35/44/429493544.db2.gz HSLPLJHOUAHXJJ-MTQWCTHYSA-N 1 3 314.473 2.648 20 0 DFADHO CN(CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000520400785 429513506 /nfs/dbraw/zinc/51/35/06/429513506.db2.gz RRXVKOZOGYNLDF-PKOBYXMFSA-N 1 3 301.478 2.929 20 0 DFADHO CN(CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000520400785 429513509 /nfs/dbraw/zinc/51/35/09/429513509.db2.gz RRXVKOZOGYNLDF-PKOBYXMFSA-N 1 3 301.478 2.929 20 0 DFADHO CN(CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000520400785 429513512 /nfs/dbraw/zinc/51/35/12/429513512.db2.gz RRXVKOZOGYNLDF-PKOBYXMFSA-N 1 3 301.478 2.929 20 0 DFADHO CN(CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000520400785 429513515 /nfs/dbraw/zinc/51/35/15/429513515.db2.gz RRXVKOZOGYNLDF-PKOBYXMFSA-N 1 3 301.478 2.929 20 0 DFADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000449828469 429519939 /nfs/dbraw/zinc/51/99/39/429519939.db2.gz XEPQMDBIGLKZEK-NVXWUHKLSA-N 1 3 309.498 2.630 20 0 DFADHO CSC[C@H](O)CNCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000521426681 429551120 /nfs/dbraw/zinc/55/11/20/429551120.db2.gz LOAJKHNFHMGSDN-GOSISDBHSA-N 1 3 322.518 2.876 20 0 DFADHO C[C@@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)CN(C)C ZINC000521624738 429559157 /nfs/dbraw/zinc/55/91/57/429559157.db2.gz IVZOEVWHIRPRMS-HKUYNNGSSA-N 1 3 315.505 2.971 20 0 DFADHO CN(C)CCOc1cccc(C[NH2+][C@H]2CCC23CCOCC3)c1 ZINC000367050088 429566507 /nfs/dbraw/zinc/56/65/07/429566507.db2.gz LWYQYKATBFIMJR-SFHVURJKSA-N 1 3 318.461 2.676 20 0 DFADHO Cc1cccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000367117424 429581502 /nfs/dbraw/zinc/58/15/02/429581502.db2.gz OXTBIZZWSVBDKK-IBGZPJMESA-N 1 3 301.478 2.595 20 0 DFADHO Cc1cccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000367117424 429581505 /nfs/dbraw/zinc/58/15/05/429581505.db2.gz OXTBIZZWSVBDKK-IBGZPJMESA-N 1 3 301.478 2.595 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(CC23CCC(CC2)C3)CC1 ZINC000450386770 429614848 /nfs/dbraw/zinc/61/48/48/429614848.db2.gz GBVBZRGCPMERCC-JLAWEPINSA-N 1 3 305.510 2.669 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CN1CCN(CC23CCC(CC2)C3)CC1 ZINC000450386770 429614851 /nfs/dbraw/zinc/61/48/51/429614851.db2.gz GBVBZRGCPMERCC-JLAWEPINSA-N 1 3 305.510 2.669 20 0 DFADHO CN(C)CCOC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000450405072 429618300 /nfs/dbraw/zinc/61/83/00/429618300.db2.gz ONQFOIHCNBOKNK-UHFFFAOYSA-N 1 3 310.869 2.925 20 0 DFADHO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000492819226 429622945 /nfs/dbraw/zinc/62/29/45/429622945.db2.gz RFMIKZOVRPLEGB-CRAIPNDOSA-N 1 3 321.509 2.678 20 0 DFADHO Cc1nccn1-c1ccc([C@@H](C)[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000367328095 429623385 /nfs/dbraw/zinc/62/33/85/429623385.db2.gz WGTYSANAZHOCTC-OLMNPRSZSA-N 1 3 310.445 2.735 20 0 DFADHO Cc1nccn1-c1ccc([C@@H](C)[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000367328095 429623386 /nfs/dbraw/zinc/62/33/86/429623386.db2.gz WGTYSANAZHOCTC-OLMNPRSZSA-N 1 3 310.445 2.735 20 0 DFADHO Cc1nccn1-c1ccc([C@@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000367328095 429623387 /nfs/dbraw/zinc/62/33/87/429623387.db2.gz WGTYSANAZHOCTC-OLMNPRSZSA-N 1 3 310.445 2.735 20 0 DFADHO Cc1nccn1-c1ccc([C@@H](C)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000367328095 429623390 /nfs/dbraw/zinc/62/33/90/429623390.db2.gz WGTYSANAZHOCTC-OLMNPRSZSA-N 1 3 310.445 2.735 20 0 DFADHO CN(CCN1CCC(C[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000429719255 429628105 /nfs/dbraw/zinc/62/81/05/429628105.db2.gz UFPLOJDJZQLYNF-UHFFFAOYSA-N 1 3 315.505 2.926 20 0 DFADHO Cc1nc2ccccc2c(NC[C@@H]2CCC[N@@H+]2CCCO)c1C ZINC000450596604 429655804 /nfs/dbraw/zinc/65/58/04/429655804.db2.gz NMHCWIPTOIVALW-INIZCTEOSA-N 1 3 313.445 2.532 20 0 DFADHO Cc1nc2ccccc2c(NC[C@@H]2CCC[N@H+]2CCCO)c1C ZINC000450596604 429655806 /nfs/dbraw/zinc/65/58/06/429655806.db2.gz NMHCWIPTOIVALW-INIZCTEOSA-N 1 3 313.445 2.532 20 0 DFADHO CC(C)[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000356872855 276019138 /nfs/dbraw/zinc/01/91/38/276019138.db2.gz PNAPAPPLOAJKHT-MKXGPGLRSA-N 1 3 302.462 2.504 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2cc(F)cc3c2OCOC3)[C@H](C)C1 ZINC000120682010 276228985 /nfs/dbraw/zinc/22/89/85/276228985.db2.gz OOBVYWZZHLLPNP-DYVFJYSZSA-N 1 3 322.424 2.555 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2cc(F)cc3c2OCOC3)[C@H](C)C1 ZINC000120682010 276228986 /nfs/dbraw/zinc/22/89/86/276228986.db2.gz OOBVYWZZHLLPNP-DYVFJYSZSA-N 1 3 322.424 2.555 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367606543 429685452 /nfs/dbraw/zinc/68/54/52/429685452.db2.gz KATHSVPRGHYXMV-UTRMSSBJSA-N 1 3 318.461 2.925 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367606543 429685458 /nfs/dbraw/zinc/68/54/58/429685458.db2.gz KATHSVPRGHYXMV-UTRMSSBJSA-N 1 3 318.461 2.925 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(OC)cc2)C1 ZINC000354105438 276328094 /nfs/dbraw/zinc/32/80/94/276328094.db2.gz AXACNAHBFQLUQG-SFHVURJKSA-N 1 3 306.450 2.628 20 0 DFADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000430587569 429695789 /nfs/dbraw/zinc/69/57/89/429695789.db2.gz WJFVGHFDNVCWFB-JKSUJKDBSA-N 1 3 317.477 2.574 20 0 DFADHO CCO[C@H]1COCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000354971428 276360967 /nfs/dbraw/zinc/36/09/67/276360967.db2.gz TYYXSHCYWAWCOW-MSOLQXFVSA-N 1 3 310.482 2.567 20 0 DFADHO CC(C)[C@@](C)(C[NH3+])NCCOc1ccc(OC(F)(F)F)cc1 ZINC000430594743 429698244 /nfs/dbraw/zinc/69/82/44/429698244.db2.gz LKUSSRQQEPPMLG-CQSZACIVSA-N 1 3 320.355 2.927 20 0 DFADHO C[N@H+]1C[C@H]2CN(CCn3ccc4cc(Cl)ccc43)C[C@H]2C1 ZINC000367716157 429705717 /nfs/dbraw/zinc/70/57/17/429705717.db2.gz ACYPPCZCCCOLNW-GASCZTMLSA-N 1 3 303.837 2.788 20 0 DFADHO C[N@@H+]1C[C@H]2CN(CCn3ccc4cc(Cl)ccc43)C[C@H]2C1 ZINC000367716157 429705723 /nfs/dbraw/zinc/70/57/23/429705723.db2.gz ACYPPCZCCCOLNW-GASCZTMLSA-N 1 3 303.837 2.788 20 0 DFADHO CN(C)[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])c1ccccc1 ZINC000430856129 429719784 /nfs/dbraw/zinc/71/97/84/429719784.db2.gz YWJGZPXPOBQQDP-KZNAEPCWSA-N 1 3 317.477 2.703 20 0 DFADHO [NH3+]C[C@@H]1CCN(CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430930655 429724897 /nfs/dbraw/zinc/72/48/97/429724897.db2.gz XYIYEAZBVRXNHN-INIZCTEOSA-N 1 3 323.440 2.963 20 0 DFADHO CSc1ccccc1NC(=O)CCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430959973 429729554 /nfs/dbraw/zinc/72/95/54/429729554.db2.gz FYZVVUDNSNHNMO-UONOGXRCSA-N 1 3 321.490 2.796 20 0 DFADHO CN1CCC(CC(=O)N2CCC[C@@H]2C[NH+]2CCCCCC2)CC1 ZINC000368159330 429800722 /nfs/dbraw/zinc/80/07/22/429800722.db2.gz FIYCBSLQLAXVCS-GOSISDBHSA-N 1 3 321.509 2.585 20 0 DFADHO CCCCC[C@@H]1CCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000486813698 429751730 /nfs/dbraw/zinc/75/17/30/429751730.db2.gz VQTITDYGNYODGO-QGZVFWFLSA-N 1 3 309.498 2.632 20 0 DFADHO Cn1cccc1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000367958641 429752119 /nfs/dbraw/zinc/75/21/19/429752119.db2.gz FBVVSOLMXAXDBJ-OALUTQOASA-N 1 3 309.457 2.979 20 0 DFADHO Cn1cccc1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000367958641 429752124 /nfs/dbraw/zinc/75/21/24/429752124.db2.gz FBVVSOLMXAXDBJ-OALUTQOASA-N 1 3 309.457 2.979 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CC1(C)C ZINC000486972869 429756538 /nfs/dbraw/zinc/75/65/38/429756538.db2.gz TYAQPTRHIKCHLA-QFBILLFUSA-N 1 3 315.505 2.958 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000367975316 429758119 /nfs/dbraw/zinc/75/81/19/429758119.db2.gz WWRQZOXRLVEWCI-DLBZAZTESA-N 1 3 315.461 2.631 20 0 DFADHO C[C@H]1CN(C2CC2)CC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000451095586 429768643 /nfs/dbraw/zinc/76/86/43/429768643.db2.gz TXTYIQNKCCHEAL-MRXNPFEDSA-N 1 3 319.468 2.674 20 0 DFADHO C[C@H]1CN(C2CC2)CC[N@@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000451095586 429768648 /nfs/dbraw/zinc/76/86/48/429768648.db2.gz TXTYIQNKCCHEAL-MRXNPFEDSA-N 1 3 319.468 2.674 20 0 DFADHO C[C@H](CNC(=O)C[C@@H](c1ccccc1)N(C)C)C[NH+]1CCCC1 ZINC000431724893 429778677 /nfs/dbraw/zinc/77/86/77/429778677.db2.gz XGIHTAIIPMTDGJ-AEFFLSMTSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000432415551 429822621 /nfs/dbraw/zinc/82/26/21/429822621.db2.gz NJYHZIKHMJSRNA-HOTGVXAUSA-N 1 3 318.461 2.868 20 0 DFADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000432415551 429822625 /nfs/dbraw/zinc/82/26/25/429822625.db2.gz NJYHZIKHMJSRNA-HOTGVXAUSA-N 1 3 318.461 2.868 20 0 DFADHO C[C@@]1(C[NH2+]C2CCN(CC3CC3)CC2)COc2ccccc2O1 ZINC000527932269 429823028 /nfs/dbraw/zinc/82/30/28/429823028.db2.gz LNMYPDSLIOBWBE-LJQANCHMSA-N 1 3 316.445 2.681 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CC45CC(C4)CO5)[C@H]3C2)cc1 ZINC000527982092 429831576 /nfs/dbraw/zinc/83/15/76/429831576.db2.gz QLNPWSLBZAAEJN-RWSSSABPSA-N 1 3 312.457 2.666 20 0 DFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2CC(O)C2)ccc1OC ZINC000528020081 429836573 /nfs/dbraw/zinc/83/65/73/429836573.db2.gz XLQBRVXQZDZITL-KSTDHSDQSA-N 1 3 320.477 2.959 20 0 DFADHO Cc1ncc(CN2CC[C@@H](Nc3cc[nH+]c(C)c3)[C@@H](C)C2)s1 ZINC000368410508 429844521 /nfs/dbraw/zinc/84/45/21/429844521.db2.gz LLRZNCGUDBKVKF-YVEFUNNKSA-N 1 3 316.474 2.899 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1CCN(C2CC2)CC1 ZINC000494271682 429865044 /nfs/dbraw/zinc/86/50/44/429865044.db2.gz SAWPPLUMSPIYCF-INIZCTEOSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1CCN(C2CC2)CC1 ZINC000494271682 429865047 /nfs/dbraw/zinc/86/50/47/429865047.db2.gz SAWPPLUMSPIYCF-INIZCTEOSA-N 1 3 321.509 2.632 20 0 DFADHO CC[C@@H](C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1)N(C)C ZINC000368564935 429867503 /nfs/dbraw/zinc/86/75/03/429867503.db2.gz XYEYQQUHGQLWEV-VJFUWPCTSA-N 1 3 323.525 2.828 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CC12CC2 ZINC000527859230 429811154 /nfs/dbraw/zinc/81/11/54/429811154.db2.gz OAUIBCOAPCAQPQ-KXBFYZLASA-N 1 3 314.473 2.922 20 0 DFADHO C[N@@H+]1CC[C@@H](CNCc2c[nH]c3nccnc23)[C@@H]1c1ccccc1 ZINC000368229059 429812731 /nfs/dbraw/zinc/81/27/31/429812731.db2.gz SOWNCOIQQPYMAT-YJBOKZPZSA-N 1 3 321.428 2.692 20 0 DFADHO C[N@H+]1CC[C@@H](CNCc2c[nH]c3nccnc23)[C@@H]1c1ccccc1 ZINC000368229059 429812734 /nfs/dbraw/zinc/81/27/34/429812734.db2.gz SOWNCOIQQPYMAT-YJBOKZPZSA-N 1 3 321.428 2.692 20 0 DFADHO COCC1([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000573124516 429928336 /nfs/dbraw/zinc/92/83/36/429928336.db2.gz RHVPDQWGYFNDHN-OKZBNKHCSA-N 1 3 300.446 2.666 20 0 DFADHO COCC1(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000573124516 429928341 /nfs/dbraw/zinc/92/83/41/429928341.db2.gz RHVPDQWGYFNDHN-OKZBNKHCSA-N 1 3 300.446 2.666 20 0 DFADHO COCC1(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000573124516 429928346 /nfs/dbraw/zinc/92/83/46/429928346.db2.gz RHVPDQWGYFNDHN-OKZBNKHCSA-N 1 3 300.446 2.666 20 0 DFADHO CC(C)(C)OC(=O)N1CC[C@@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000494416714 429871921 /nfs/dbraw/zinc/87/19/21/429871921.db2.gz GCAMHQCIPVQKCO-OAHLLOKOSA-N 1 3 323.481 2.602 20 0 DFADHO CCOc1ccccc1OCCN1CCC2(C1)CC[NH+](C)CC2 ZINC000639756978 429971059 /nfs/dbraw/zinc/97/10/59/429971059.db2.gz BKRDRKDDTLBEFE-UHFFFAOYSA-N 1 3 318.461 2.882 20 0 DFADHO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759897 429972218 /nfs/dbraw/zinc/97/22/18/429972218.db2.gz NARQXRGLQXXMNO-BRWVUGGUSA-N 1 3 321.509 2.582 20 0 DFADHO Cc1cccc(NC(=O)[C@H](C)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639760387 429973324 /nfs/dbraw/zinc/97/33/24/429973324.db2.gz WPAKBQHJZQDVGE-INIZCTEOSA-N 1 3 315.461 2.740 20 0 DFADHO O[C@H](CC1CCCC1)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639684187 429947213 /nfs/dbraw/zinc/94/72/13/429947213.db2.gz SWAKTKJQVGJLOS-GOSISDBHSA-N 1 3 303.450 2.535 20 0 DFADHO O[C@H](CC1CCCC1)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639684187 429947216 /nfs/dbraw/zinc/94/72/16/429947216.db2.gz SWAKTKJQVGJLOS-GOSISDBHSA-N 1 3 303.450 2.535 20 0 DFADHO Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c(C)c1 ZINC000573437432 429950378 /nfs/dbraw/zinc/95/03/78/429950378.db2.gz AIVPBPAJXYTRKQ-KZNAEPCWSA-N 1 3 320.477 2.506 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCNCC(C)(C)C1)CC2 ZINC000634733619 430093045 /nfs/dbraw/zinc/09/30/45/430093045.db2.gz JRADOPJZRLHDGF-IRXDYDNUSA-N 1 3 302.462 2.920 20 0 DFADHO CC(C)CCC[C@@H](C)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000560547025 430054005 /nfs/dbraw/zinc/05/40/05/430054005.db2.gz DJMYRLUZBMIPFK-QGZVFWFLSA-N 1 3 311.514 2.783 20 0 DFADHO Cc1ccccc1[C@H]([C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1)N(C)C ZINC000580550880 430134275 /nfs/dbraw/zinc/13/42/75/430134275.db2.gz BJDFAOXRPMBLAZ-NTDBWNAOSA-N 1 3 303.494 2.964 20 0 DFADHO C[C@@H]1C[N@H+](CCCNCc2ccc3[nH]ccc3c2)CCCO1 ZINC000580657850 430141901 /nfs/dbraw/zinc/14/19/01/430141901.db2.gz AHBXGJFEVHWITC-OAHLLOKOSA-N 1 3 301.434 2.758 20 0 DFADHO C[C@@H]1C[N@@H+](CCCNCc2ccc3[nH]ccc3c2)CCCO1 ZINC000580657850 430141905 /nfs/dbraw/zinc/14/19/05/430141905.db2.gz AHBXGJFEVHWITC-OAHLLOKOSA-N 1 3 301.434 2.758 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4cc(F)ccc43)C2)CC1 ZINC000370625181 277028220 /nfs/dbraw/zinc/02/82/20/277028220.db2.gz VYWRFVYTIRCLFI-APWZRJJASA-N 1 3 317.452 2.571 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3CCCF)C2)CC1 ZINC000374616578 277028661 /nfs/dbraw/zinc/02/86/61/277028661.db2.gz AHLFJZQZFDCHSJ-SOLBZPMBSA-N 1 3 311.489 2.663 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+]C(C3CCC3)C3CCC3)C2)CC1 ZINC000374701529 277028793 /nfs/dbraw/zinc/02/87/93/277028793.db2.gz LULLXZYEYNBPKN-KRWDZBQOSA-N 1 3 305.510 2.713 20 0 DFADHO N[C@@H](CC[NH2+][C@@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000635004672 430194782 /nfs/dbraw/zinc/19/47/82/430194782.db2.gz FXCUKHKNUHGVLV-ZWKOTPCHSA-N 1 3 302.462 2.885 20 0 DFADHO COc1ccccc1SC[C@@H](C)C[NH2+]CC12CC(C1)CN2 ZINC000634995694 430187918 /nfs/dbraw/zinc/18/79/18/430187918.db2.gz MPNNCHFVEFUJBY-CBCUQQMYSA-N 1 3 306.475 2.765 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000635003316 430191667 /nfs/dbraw/zinc/19/16/67/430191667.db2.gz HYJVNGBTNFWTCR-UPQAZBFISA-N 1 3 321.262 2.804 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000635003316 430191671 /nfs/dbraw/zinc/19/16/71/430191671.db2.gz HYJVNGBTNFWTCR-UPQAZBFISA-N 1 3 321.262 2.804 20 0 DFADHO COc1ccc([C@H](C)NCc2cccc3c2CC[NH2+]C3)cc1O ZINC000635007493 430192994 /nfs/dbraw/zinc/19/29/94/430192994.db2.gz DJKBFDLCQDSJKR-ZDUSSCGKSA-N 1 3 312.413 2.897 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]CC[C@H](N)Cc2ccccc2)cn1 ZINC000635004916 430193197 /nfs/dbraw/zinc/19/31/97/430193197.db2.gz GETHSPKFSMYMPJ-YJBOKZPZSA-N 1 3 313.445 2.571 20 0 DFADHO COc1ccc(C[C@H](C)NCC[C@H]([NH3+])Cc2ccccc2)cn1 ZINC000635004916 430193203 /nfs/dbraw/zinc/19/32/03/430193203.db2.gz GETHSPKFSMYMPJ-YJBOKZPZSA-N 1 3 313.445 2.571 20 0 DFADHO COc1ccc([C@@H](C)NCc2cccc3c2CC[NH2+]C3)cc1O ZINC000635007483 430193708 /nfs/dbraw/zinc/19/37/08/430193708.db2.gz DJKBFDLCQDSJKR-CYBMUJFWSA-N 1 3 312.413 2.897 20 0 DFADHO C[N@@H+]1CC[C@@](O)(CN[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000358247066 277159289 /nfs/dbraw/zinc/15/92/89/277159289.db2.gz HKNIYCHDYMSUSB-ZWKOTPCHSA-N 1 3 306.425 2.713 20 0 DFADHO C[N@H+]1CC[C@@](O)(CN[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000358247066 277159290 /nfs/dbraw/zinc/15/92/90/277159290.db2.gz HKNIYCHDYMSUSB-ZWKOTPCHSA-N 1 3 306.425 2.713 20 0 DFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc(F)c1 ZINC000635007078 430194181 /nfs/dbraw/zinc/19/41/81/430194181.db2.gz DRUPWQMZZIZADT-ZDUSSCGKSA-N 1 3 300.381 2.803 20 0 DFADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572583 277183030 /nfs/dbraw/zinc/18/30/30/277183030.db2.gz TYLIZTDYLGBNII-QAPCUYQASA-N 1 3 311.429 2.857 20 0 DFADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572583 277183031 /nfs/dbraw/zinc/18/30/31/277183031.db2.gz TYLIZTDYLGBNII-QAPCUYQASA-N 1 3 311.429 2.857 20 0 DFADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572583 277183033 /nfs/dbraw/zinc/18/30/33/277183033.db2.gz TYLIZTDYLGBNII-QAPCUYQASA-N 1 3 311.429 2.857 20 0 DFADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572583 277183034 /nfs/dbraw/zinc/18/30/34/277183034.db2.gz TYLIZTDYLGBNII-QAPCUYQASA-N 1 3 311.429 2.857 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010272 430195269 /nfs/dbraw/zinc/19/52/69/430195269.db2.gz RLHNRCBGDIXFQC-KUHUBIRLSA-N 1 3 308.429 2.837 20 0 DFADHO CC(C)C1(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000637985422 430195733 /nfs/dbraw/zinc/19/57/33/430195733.db2.gz QVAOSLJBBMRTCD-ROUUACIJSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(F)c(F)c1 ZINC000635010847 430196883 /nfs/dbraw/zinc/19/68/83/430196883.db2.gz WDMCNYXYSJGPJZ-LBPRGKRZSA-N 1 3 318.371 2.943 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCn1ccc(C(F)(F)F)n1 ZINC000635014434 430197828 /nfs/dbraw/zinc/19/78/28/430197828.db2.gz ULIDUUHKGRVHTI-STQMWFEESA-N 1 3 318.387 2.802 20 0 DFADHO CC(C)CC[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000638053100 430221189 /nfs/dbraw/zinc/22/11/89/430221189.db2.gz GMDMZKYKYJMCJG-SFHVURJKSA-N 1 3 317.477 2.662 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000638131279 430246755 /nfs/dbraw/zinc/24/67/55/430246755.db2.gz LDIYIGUSDYJJKL-QGZVFWFLSA-N 1 3 311.514 2.624 20 0 DFADHO Cc1scc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1C ZINC000638138207 430248246 /nfs/dbraw/zinc/24/82/46/430248246.db2.gz XTRCUQUAZQPOFX-RDTXWAMCSA-N 1 3 321.534 2.823 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)CN(C)CC(C)(C)C)C1 ZINC000635324255 430254654 /nfs/dbraw/zinc/25/46/54/430254654.db2.gz GFBIGZRZHPIVAW-MRXNPFEDSA-N 1 3 311.514 2.593 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CN(C)CC(C)(C)C)C1 ZINC000635324255 430254658 /nfs/dbraw/zinc/25/46/58/430254658.db2.gz GFBIGZRZHPIVAW-MRXNPFEDSA-N 1 3 311.514 2.593 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635323716 430254852 /nfs/dbraw/zinc/25/48/52/430254852.db2.gz AVQBCCSJEIJFOC-FUHWJXTLSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635323716 430254857 /nfs/dbraw/zinc/25/48/57/430254857.db2.gz AVQBCCSJEIJFOC-FUHWJXTLSA-N 1 3 321.509 2.774 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)C(C)C)CC2)CC1 ZINC000566432986 430260544 /nfs/dbraw/zinc/26/05/44/430260544.db2.gz MAXHEOITNCBDRT-MRXNPFEDSA-N 1 3 323.525 2.686 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCN(c4ccccc4)C3)CC[C@@H]21 ZINC000638176456 430261844 /nfs/dbraw/zinc/26/18/44/430261844.db2.gz DTKQPCGIDTUCIA-NSHGMRRFSA-N 1 3 313.489 2.929 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)CC[C@@H]21 ZINC000638176456 430261847 /nfs/dbraw/zinc/26/18/47/430261847.db2.gz DTKQPCGIDTUCIA-NSHGMRRFSA-N 1 3 313.489 2.929 20 0 DFADHO CCN[C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000638078123 430228640 /nfs/dbraw/zinc/22/86/40/430228640.db2.gz DCVBAKGLCDZAIY-HNNXBMFYSA-N 1 3 303.450 2.652 20 0 DFADHO Cc1ncc(C[NH2+]C2CCN(Cc3ccccc3C)CC2)n1C ZINC000581678423 430232896 /nfs/dbraw/zinc/23/28/96/430232896.db2.gz NWQWNJSOGBKBFO-UHFFFAOYSA-N 1 3 312.461 2.791 20 0 DFADHO CCC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccnc1 ZINC000544578885 430289071 /nfs/dbraw/zinc/28/90/71/430289071.db2.gz HRXLSLNOTBVTIU-SFHVURJKSA-N 1 3 304.482 2.540 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000638273036 430290084 /nfs/dbraw/zinc/29/00/84/430290084.db2.gz GOZLBLUCXQBECY-TWMKSMIVSA-N 1 3 309.498 2.614 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000638273036 430290089 /nfs/dbraw/zinc/29/00/89/430290089.db2.gz GOZLBLUCXQBECY-TWMKSMIVSA-N 1 3 309.498 2.614 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000582367787 430293708 /nfs/dbraw/zinc/29/37/08/430293708.db2.gz DOVZKLOUJBMDNC-YJBOKZPZSA-N 1 3 308.441 2.708 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000582367787 430293710 /nfs/dbraw/zinc/29/37/10/430293710.db2.gz DOVZKLOUJBMDNC-YJBOKZPZSA-N 1 3 308.441 2.708 20 0 DFADHO CCC[NH+]1CCC(NCCC(=O)Nc2cccc(F)c2C)CC1 ZINC000582525290 430307246 /nfs/dbraw/zinc/30/72/46/430307246.db2.gz WPSFENLJVYFOOH-UHFFFAOYSA-N 1 3 321.440 2.927 20 0 DFADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)c2ccccc21 ZINC000582660033 430320698 /nfs/dbraw/zinc/32/06/98/430320698.db2.gz KYOBLXKQGAFYCG-CSMYWGQOSA-N 1 3 312.392 2.534 20 0 DFADHO C[C@@H](C[NH2+]C[C@@H]1CCN(c2ccccc2)C1)CN1CCCC1 ZINC000638386781 430324824 /nfs/dbraw/zinc/32/48/24/430324824.db2.gz OZBVCAJECILZOI-ROUUACIJSA-N 1 3 301.478 2.834 20 0 DFADHO CO[C@@H](CNCc1cccc(C[N@H+](C)C(C)C)c1)[C@H]1CCOC1 ZINC000638434118 430340721 /nfs/dbraw/zinc/34/07/21/430340721.db2.gz HSYFANSKPFAYOF-OALUTQOASA-N 1 3 320.477 2.668 20 0 DFADHO CO[C@@H](CNCc1cccc(C[N@@H+](C)C(C)C)c1)[C@H]1CCOC1 ZINC000638434118 430340727 /nfs/dbraw/zinc/34/07/27/430340727.db2.gz HSYFANSKPFAYOF-OALUTQOASA-N 1 3 320.477 2.668 20 0 DFADHO CO[C@@](C)(CNCc1ccccc1OCC[NH+](C)C)C1CC1 ZINC000638444947 430344815 /nfs/dbraw/zinc/34/48/15/430344815.db2.gz KUMSNSBFQAQOSE-SFHVURJKSA-N 1 3 306.450 2.532 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CS1 ZINC000638718163 430415636 /nfs/dbraw/zinc/41/56/36/430415636.db2.gz FEBKKBPTOOXFPG-WMLDXEAASA-N 1 3 320.502 2.627 20 0 DFADHO Cn1cc(-c2ccc(C[NH2+]CC3(N)CCCCC3)s2)cn1 ZINC000583032399 430357903 /nfs/dbraw/zinc/35/79/03/430357903.db2.gz MCBIOXMQDSHVRV-UHFFFAOYSA-N 1 3 304.463 2.900 20 0 DFADHO C[C@H](CC[NH2+]CCCCN1CCN(C)CC1)c1ccccc1 ZINC000568472093 430360524 /nfs/dbraw/zinc/36/05/24/430360524.db2.gz AOJCVASPDTZZKA-GOSISDBHSA-N 1 3 303.494 2.797 20 0 DFADHO CCC[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)OC ZINC000638521307 430367122 /nfs/dbraw/zinc/36/71/22/430367122.db2.gz GKIJCECOKDENHP-OALUTQOASA-N 1 3 304.478 2.956 20 0 DFADHO CCC[C@@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)OC ZINC000638521307 430367126 /nfs/dbraw/zinc/36/71/26/430367126.db2.gz GKIJCECOKDENHP-OALUTQOASA-N 1 3 304.478 2.956 20 0 DFADHO CCC[C@@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)OC ZINC000638521307 430367128 /nfs/dbraw/zinc/36/71/28/430367128.db2.gz GKIJCECOKDENHP-OALUTQOASA-N 1 3 304.478 2.956 20 0 DFADHO CC[C@@H](C(=O)N1CCCc2cccc(C[NH3+])c21)N(CC)CC ZINC000638543603 430372700 /nfs/dbraw/zinc/37/27/00/430372700.db2.gz CJBXAVTUDUXPSO-INIZCTEOSA-N 1 3 303.450 2.545 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c1 ZINC000568617993 430376661 /nfs/dbraw/zinc/37/66/61/430376661.db2.gz KLEDQRUPBVQDLI-RVKKMQEKSA-N 1 3 303.450 2.629 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)c1 ZINC000568617993 430376666 /nfs/dbraw/zinc/37/66/66/430376666.db2.gz KLEDQRUPBVQDLI-RVKKMQEKSA-N 1 3 303.450 2.629 20 0 DFADHO CC[C@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000568619685 430376699 /nfs/dbraw/zinc/37/66/99/430376699.db2.gz FWGOAUONTOQUOH-INIZCTEOSA-N 1 3 310.869 2.913 20 0 DFADHO CO[C@@]1(CNCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCOC1 ZINC000638600575 430384430 /nfs/dbraw/zinc/38/44/30/430384430.db2.gz CNLZYCYVOFOPLA-MAUKXSAKSA-N 1 3 306.450 2.511 20 0 DFADHO CCn1c2ccccc2nc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568761789 430390208 /nfs/dbraw/zinc/39/02/08/430390208.db2.gz IMKWWMXXXJGOBR-CVEARBPZSA-N 1 3 312.461 2.878 20 0 DFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000568766800 430392383 /nfs/dbraw/zinc/39/23/83/430392383.db2.gz MVNPIRLRJVEFHF-WBVHZDCISA-N 1 3 317.477 2.513 20 0 DFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000568766800 430392387 /nfs/dbraw/zinc/39/23/87/430392387.db2.gz MVNPIRLRJVEFHF-WBVHZDCISA-N 1 3 317.477 2.513 20 0 DFADHO Cc1ccc(CCNC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000638669702 430403951 /nfs/dbraw/zinc/40/39/51/430403951.db2.gz VPNALJIKAOSLGT-GOSISDBHSA-N 1 3 302.462 2.628 20 0 DFADHO C[C@@H](O)C[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638796842 430437000 /nfs/dbraw/zinc/43/70/00/430437000.db2.gz MSNOCJZTECTOEX-VQIMIIECSA-N 1 3 304.478 2.895 20 0 DFADHO C[C@@H](O)CNC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638796842 430437003 /nfs/dbraw/zinc/43/70/03/430437003.db2.gz MSNOCJZTECTOEX-VQIMIIECSA-N 1 3 304.478 2.895 20 0 DFADHO C[C@@H](O)CNC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638796842 430437007 /nfs/dbraw/zinc/43/70/07/430437007.db2.gz MSNOCJZTECTOEX-VQIMIIECSA-N 1 3 304.478 2.895 20 0 DFADHO C[NH+]1CCC(CCN[C@@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000583907967 430439442 /nfs/dbraw/zinc/43/94/42/430439442.db2.gz UKPZZIOCYDGPPT-MRXNPFEDSA-N 1 3 305.470 2.748 20 0 DFADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638850719 430454885 /nfs/dbraw/zinc/45/48/85/430454885.db2.gz GTEAKSLSFPBNSL-XYJFISCASA-N 1 3 317.477 2.531 20 0 DFADHO C[C@@H](C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000638850702 430455259 /nfs/dbraw/zinc/45/52/59/430455259.db2.gz GTEAKSLSFPBNSL-RYRKJORJSA-N 1 3 317.477 2.531 20 0 DFADHO CO[C@H](CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CCCC1 ZINC000638749880 430424902 /nfs/dbraw/zinc/42/49/02/430424902.db2.gz MBQAGWLRMCMVSX-IPMKNSEASA-N 1 3 324.509 2.549 20 0 DFADHO CCC[C@H](CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO)OC ZINC000638970290 430484212 /nfs/dbraw/zinc/48/42/12/430484212.db2.gz KVOYMNHWOVITRK-RBUKOAKNSA-N 1 3 320.477 2.548 20 0 DFADHO CCC[C@H](CNCc1ccccc1C[N@H+]1CCC[C@H]1CO)OC ZINC000638970290 430484215 /nfs/dbraw/zinc/48/42/15/430484215.db2.gz KVOYMNHWOVITRK-RBUKOAKNSA-N 1 3 320.477 2.548 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000569919263 430496639 /nfs/dbraw/zinc/49/66/39/430496639.db2.gz UZSYENWCQQEQOS-ODIFPOPNSA-N 1 3 302.466 2.516 20 0 DFADHO C[C@@H](C(=O)N1CC[C@@H](C[NH3+])c2ccccc21)N1CCCCCC1 ZINC000639067675 430511154 /nfs/dbraw/zinc/51/11/54/430511154.db2.gz KTWBXLGTFBLFKO-HOTGVXAUSA-N 1 3 315.461 2.730 20 0 DFADHO Cc1nccn1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000570125988 430515498 /nfs/dbraw/zinc/51/54/98/430515498.db2.gz XMMCTSWUPBQWHI-OWZKRDHZSA-N 1 3 324.472 2.977 20 0 DFADHO Cc1nccn1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000570125988 430515501 /nfs/dbraw/zinc/51/55/01/430515501.db2.gz XMMCTSWUPBQWHI-OWZKRDHZSA-N 1 3 324.472 2.977 20 0 DFADHO Cc1nccn1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000570125988 430515504 /nfs/dbraw/zinc/51/55/04/430515504.db2.gz XMMCTSWUPBQWHI-OWZKRDHZSA-N 1 3 324.472 2.977 20 0 DFADHO O=c1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c[nH]1 ZINC000639162531 430549910 /nfs/dbraw/zinc/54/99/10/430549910.db2.gz SPLKCLZHNGXBCQ-FQEVSTJZSA-N 1 3 323.440 2.885 20 0 DFADHO O=c1ccc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c[nH]1 ZINC000639162531 430549912 /nfs/dbraw/zinc/54/99/12/430549912.db2.gz SPLKCLZHNGXBCQ-FQEVSTJZSA-N 1 3 323.440 2.885 20 0 DFADHO C[C@H](N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000643451908 430601510 /nfs/dbraw/zinc/60/15/10/430601510.db2.gz WJRARYRVLBZWRV-UHOSZYNNSA-N 1 3 301.478 2.801 20 0 DFADHO C[C@H]1CC[C@@H](O)CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000643295763 430576535 /nfs/dbraw/zinc/57/65/35/430576535.db2.gz PYWVERKEPXKBSV-FUHWJXTLSA-N 1 3 318.461 2.506 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCCNC1 ZINC000643453224 430601906 /nfs/dbraw/zinc/60/19/06/430601906.db2.gz POERXORAFSWRDQ-ZNMIVQPWSA-N 1 3 323.431 2.769 20 0 DFADHO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C)[C@H]3CCC[C@H]31)CCO2 ZINC000552065205 430583391 /nfs/dbraw/zinc/58/33/91/430583391.db2.gz JTEUCXXDNVCZRE-RANZSIQMSA-N 1 3 316.445 2.981 20 0 DFADHO FC(F)(F)c1ccc(N2CC[C@@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000643455539 430602013 /nfs/dbraw/zinc/60/20/13/430602013.db2.gz RUULWHKBCDETMA-CQSZACIVSA-N 1 3 313.367 2.626 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CC1(F)F ZINC000639264506 430592370 /nfs/dbraw/zinc/59/23/70/430592370.db2.gz FEOMLTSIVXDRFU-ZBFHGGJFSA-N 1 3 324.415 2.647 20 0 DFADHO O=C(C[NH2+][C@H]1CCCC[C@H]1C1CC1)NCCN1CCCCCC1 ZINC000552279472 430592374 /nfs/dbraw/zinc/59/23/74/430592374.db2.gz MBAZCMCOUHRDNQ-ROUUACIJSA-N 1 3 321.509 2.537 20 0 DFADHO O=C(C[NH2+][C@@H]1CCCC[C@H]1C1CC1)NCCN1CCCCCC1 ZINC000552279473 430593048 /nfs/dbraw/zinc/59/30/48/430593048.db2.gz MBAZCMCOUHRDNQ-ZWKOTPCHSA-N 1 3 321.509 2.537 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000554714545 430649919 /nfs/dbraw/zinc/64/99/19/430649919.db2.gz BYWKFWWZUNOURA-PIKADFDJSA-N 1 3 300.446 2.531 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)NCCN2CC[C@@H](C)C2)cc1 ZINC000554800616 430652134 /nfs/dbraw/zinc/65/21/34/430652134.db2.gz WVMHTUZHTZXUJE-MRXNPFEDSA-N 1 3 317.477 2.600 20 0 DFADHO Fc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCNCC3)C2)cc1F ZINC000643453139 430602626 /nfs/dbraw/zinc/60/26/26/430602626.db2.gz JJYWIVHZIKKEAB-UONOGXRCSA-N 1 3 309.404 2.523 20 0 DFADHO COc1cccc2c1OC[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000643451967 430603037 /nfs/dbraw/zinc/60/30/37/430603037.db2.gz GEEKFZRNZBQJCJ-LTIDMASMSA-N 1 3 316.445 2.509 20 0 DFADHO C[C@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000643462967 430604112 /nfs/dbraw/zinc/60/41/12/430604112.db2.gz UQHFBPUKQPDTNG-YDHLFZDLSA-N 1 3 309.404 2.521 20 0 DFADHO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1CCCNC1 ZINC000643462967 430604114 /nfs/dbraw/zinc/60/41/14/430604114.db2.gz UQHFBPUKQPDTNG-YDHLFZDLSA-N 1 3 309.404 2.521 20 0 DFADHO FC(F)CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000643460012 430604148 /nfs/dbraw/zinc/60/41/48/430604148.db2.gz HMPBMXUFKVYJOV-HRCADAONSA-N 1 3 315.452 2.616 20 0 DFADHO CC[C@H]([NH2+]C[C@@H](O)COc1c(C)cccc1C)[C@@H]1CCCCN1 ZINC000643463872 430605366 /nfs/dbraw/zinc/60/53/66/430605366.db2.gz FWJRGKOURFQLJK-SQNIBIBYSA-N 1 3 320.477 2.553 20 0 DFADHO CCC[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)OC ZINC000639311337 430605430 /nfs/dbraw/zinc/60/54/30/430605430.db2.gz LXRLIICYWYMMHZ-GOSISDBHSA-N 1 3 305.466 2.698 20 0 DFADHO CO[C@](C)(C[NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000639310385 430606083 /nfs/dbraw/zinc/60/60/83/430606083.db2.gz GTCASGGCCYMIGK-LJQANCHMSA-N 1 3 317.477 2.698 20 0 DFADHO COCC1(C[NH2+]CC2CCN(Cc3ccncc3)CC2)CCC1 ZINC000639311363 430606613 /nfs/dbraw/zinc/60/66/13/430606613.db2.gz MQUYBSHKRLLRQM-UHFFFAOYSA-N 1 3 317.477 2.700 20 0 DFADHO C[C@@H]([NH2+]CC1(N)CCCCCC1)c1cccc(-n2ccnn2)c1 ZINC000643498688 430608099 /nfs/dbraw/zinc/60/80/99/430608099.db2.gz BAWHOYHLRGCQCN-OAHLLOKOSA-N 1 3 313.449 2.970 20 0 DFADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2cccc(-n3cnnn3)c2)cc1 ZINC000643513901 430611917 /nfs/dbraw/zinc/61/19/17/430611917.db2.gz IUWRRSIVZXUCNZ-ZIAGYGMSSA-N 1 3 322.416 2.533 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546849 430615386 /nfs/dbraw/zinc/61/53/86/430615386.db2.gz VWHSGNCDPRQBMS-DOTOQJQBSA-N 1 3 315.461 2.976 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)c1 ZINC000643546849 430615390 /nfs/dbraw/zinc/61/53/90/430615390.db2.gz VWHSGNCDPRQBMS-DOTOQJQBSA-N 1 3 315.461 2.976 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1ccccc1-n1ccnn1 ZINC000643547628 430615579 /nfs/dbraw/zinc/61/55/79/430615579.db2.gz IOHBHTRXLOKOBG-CABCVRRESA-N 1 3 311.433 2.593 20 0 DFADHO c1cc(C[NH2+]C2CCN(c3ccncc3)CC2)c2c(c1)COCC2 ZINC000639387468 430631296 /nfs/dbraw/zinc/63/12/96/430631296.db2.gz RTSXHLBENSKUFK-UHFFFAOYSA-N 1 3 323.440 2.913 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000571514211 430632466 /nfs/dbraw/zinc/63/24/66/430632466.db2.gz AEBPMFVEQXSSQZ-WFASDCNBSA-N 1 3 323.868 2.955 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000554310928 430633333 /nfs/dbraw/zinc/63/33/33/430633333.db2.gz UPRIWKPFNPLSHP-CVEARBPZSA-N 1 3 323.525 2.734 20 0 DFADHO Cc1ncc(C[NH2+]C2CCN(CCc3ccccc3)CC2)n1C ZINC000571658752 430644914 /nfs/dbraw/zinc/64/49/14/430644914.db2.gz RLLKKMXVAHBUJP-UHFFFAOYSA-N 1 3 312.461 2.525 20 0 DFADHO C[C@@H](c1ccccc1)[C@@H](O)CNC1CC[NH+](C2CCC2)CC1 ZINC000572028541 430668096 /nfs/dbraw/zinc/66/80/96/430668096.db2.gz BYFUNOUUMYEXDM-KXBFYZLASA-N 1 3 302.462 2.758 20 0 DFADHO C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000572257768 430678652 /nfs/dbraw/zinc/67/86/52/430678652.db2.gz QIFDNGALBSHFFO-WDSOQIARSA-N 1 3 301.478 2.629 20 0 DFADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@]1(O)CC[N@@H+](C)C1 ZINC000572678022 430694260 /nfs/dbraw/zinc/69/42/60/430694260.db2.gz FSYAPOYWTRDCDH-IEBWSBKVSA-N 1 3 313.445 2.510 20 0 DFADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@]1(O)CC[N@H+](C)C1 ZINC000572678022 430694262 /nfs/dbraw/zinc/69/42/62/430694262.db2.gz FSYAPOYWTRDCDH-IEBWSBKVSA-N 1 3 313.445 2.510 20 0 DFADHO CC(C)(C[NH2+][C@@H]1CCC[C@H](N)C1)c1ccc2c(c1)OCCO2 ZINC000572662485 430694331 /nfs/dbraw/zinc/69/43/31/430694331.db2.gz NSMAZHVIQNZDRL-LSDHHAIUSA-N 1 3 304.434 2.595 20 0 DFADHO CC(C)(CN[C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000572662485 430694333 /nfs/dbraw/zinc/69/43/33/430694333.db2.gz NSMAZHVIQNZDRL-LSDHHAIUSA-N 1 3 304.434 2.595 20 0 DFADHO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000278438155 278283590 /nfs/dbraw/zinc/28/35/90/278283590.db2.gz HJFHBUHGWARHAN-VKJFTORMSA-N 1 3 306.450 2.703 20 0 DFADHO c1cc2c(cc1C[N@@H+]1CC[C@H](C3CCOCC3)C1)CNCC2 ZINC000572772747 430696917 /nfs/dbraw/zinc/69/69/17/430696917.db2.gz MTRFRRYYOFZBKM-SFHVURJKSA-N 1 3 300.446 2.581 20 0 DFADHO c1cc2c(cc1C[N@H+]1CC[C@H](C3CCOCC3)C1)CNCC2 ZINC000572772747 430696918 /nfs/dbraw/zinc/69/69/18/430696918.db2.gz MTRFRRYYOFZBKM-SFHVURJKSA-N 1 3 300.446 2.581 20 0 DFADHO CC1(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000573058169 430699347 /nfs/dbraw/zinc/69/93/47/430699347.db2.gz MUIJHOZEUITRDE-UHFFFAOYSA-N 1 3 301.478 2.979 20 0 DFADHO CC(C)CCn1cccc1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751882 430725266 /nfs/dbraw/zinc/72/52/66/430725266.db2.gz VEIQNKRJBFPVJR-LJQANCHMSA-N 1 3 319.493 2.877 20 0 DFADHO COC[C@H](C)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657774573 430731319 /nfs/dbraw/zinc/73/13/19/430731319.db2.gz ZSASIOYOVXPVBE-FUHWJXTLSA-N 1 3 302.462 2.913 20 0 DFADHO COC[C@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774573 430731324 /nfs/dbraw/zinc/73/13/24/430731324.db2.gz ZSASIOYOVXPVBE-FUHWJXTLSA-N 1 3 302.462 2.913 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H](CN[C@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000657773378 430732901 /nfs/dbraw/zinc/73/29/01/430732901.db2.gz RDABJMFOUUBHTD-MSOLQXFVSA-N 1 3 300.446 2.667 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H](CN[C@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000657773378 430732906 /nfs/dbraw/zinc/73/29/06/430732906.db2.gz RDABJMFOUUBHTD-MSOLQXFVSA-N 1 3 300.446 2.667 20 0 DFADHO c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000657997275 430784158 /nfs/dbraw/zinc/78/41/58/430784158.db2.gz ARMLHABBUZKWIM-QZTJIDSGSA-N 1 3 310.445 2.830 20 0 DFADHO COC[C@@H](CC1CCOCC1)NCCC[NH+]1CCC(C)CC1 ZINC000657824678 430746937 /nfs/dbraw/zinc/74/69/37/430746937.db2.gz SSUIJYYDYHCQHE-GOSISDBHSA-N 1 3 312.498 2.530 20 0 DFADHO C[C@H]1C[C@@H](NCCC(=O)Nc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000644574920 430757185 /nfs/dbraw/zinc/75/71/85/430757185.db2.gz KDNUJJDILLKIGT-WFASDCNBSA-N 1 3 309.841 2.741 20 0 DFADHO C[C@H]1C[C@@H](NCCC(=O)Nc2ccc(Cl)cc2)CC[N@H+]1C ZINC000644574920 430757190 /nfs/dbraw/zinc/75/71/90/430757190.db2.gz KDNUJJDILLKIGT-WFASDCNBSA-N 1 3 309.841 2.741 20 0 DFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc2cnccc2o1 ZINC000657882117 430760645 /nfs/dbraw/zinc/76/06/45/430760645.db2.gz XUJQKOANILJVSH-GDBMZVCRSA-N 1 3 317.433 2.715 20 0 DFADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cc2cnccc2o1 ZINC000657882117 430760651 /nfs/dbraw/zinc/76/06/51/430760651.db2.gz XUJQKOANILJVSH-GDBMZVCRSA-N 1 3 317.433 2.715 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cc2cnccc2o1 ZINC000657901292 430762922 /nfs/dbraw/zinc/76/29/22/430762922.db2.gz BHTHXBGMBSMLSW-HIFRSBDPSA-N 1 3 305.422 2.835 20 0 DFADHO C[N@H+](C[C@@H](O)CNCCc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000644599729 430764415 /nfs/dbraw/zinc/76/44/15/430764415.db2.gz OMIPAKKDFYAIMI-NRFANRHFSA-N 1 3 324.468 2.941 20 0 DFADHO C[N@@H+](C[C@@H](O)CNCCc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000644599729 430764420 /nfs/dbraw/zinc/76/44/20/430764420.db2.gz OMIPAKKDFYAIMI-NRFANRHFSA-N 1 3 324.468 2.941 20 0 DFADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCC(C)(C)C(F)(F)F ZINC000644640957 430776828 /nfs/dbraw/zinc/77/68/28/430776828.db2.gz IZDQTMYOIOIDPS-CQSZACIVSA-N 1 3 318.383 2.657 20 0 DFADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNCC(C)(C)C(F)(F)F ZINC000644640957 430776833 /nfs/dbraw/zinc/77/68/33/430776833.db2.gz IZDQTMYOIOIDPS-CQSZACIVSA-N 1 3 318.383 2.657 20 0 DFADHO COC[C@H](CC1CCOCC1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000657972403 430779124 /nfs/dbraw/zinc/77/91/24/430779124.db2.gz GEXWMHGJXIVROV-WMZOPIPTSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@H](CC1CCOCC1)NCC[C@H](C)[NH+]1CCCCC1 ZINC000657972403 430779129 /nfs/dbraw/zinc/77/91/29/430779129.db2.gz GEXWMHGJXIVROV-WMZOPIPTSA-N 1 3 312.498 2.672 20 0 DFADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1cccc(F)c1F ZINC000658105527 430813383 /nfs/dbraw/zinc/81/33/83/430813383.db2.gz AVAUAZKGCJVBBZ-UONOGXRCSA-N 1 3 313.436 2.887 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)C1 ZINC000658136530 430820581 /nfs/dbraw/zinc/82/05/81/430820581.db2.gz HKEPRKREIOWQED-ROUUACIJSA-N 1 3 300.446 2.676 20 0 DFADHO CC1CCN(CCC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000314774014 278540195 /nfs/dbraw/zinc/54/01/95/278540195.db2.gz KBDGGSNTPAOJGF-KGLIPLIRSA-N 1 3 308.388 2.808 20 0 DFADHO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000658165021 430830975 /nfs/dbraw/zinc/83/09/75/430830975.db2.gz ZCMNXHXZULOESQ-ZVZYQTTQSA-N 1 3 306.450 2.845 20 0 DFADHO COC(C)(C)[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164378 430831705 /nfs/dbraw/zinc/83/17/05/430831705.db2.gz CTDWBMGPUTZFSB-HNNXBMFYSA-N 1 3 305.466 2.697 20 0 DFADHO C[C@H](NCCO[C@@H]1CC1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658170853 430834374 /nfs/dbraw/zinc/83/43/74/430834374.db2.gz VFZCHDROEFQBDU-USXIJHARSA-N 1 3 324.415 2.911 20 0 DFADHO C[C@H](NCCO[C@@H]1CC1(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658170853 430834379 /nfs/dbraw/zinc/83/43/79/430834379.db2.gz VFZCHDROEFQBDU-USXIJHARSA-N 1 3 324.415 2.911 20 0 DFADHO C[C@@H](NCc1c(F)cccc1-n1cccn1)C1CC[NH+](C)CC1 ZINC000651467871 430802565 /nfs/dbraw/zinc/80/25/65/430802565.db2.gz KJRUFUWORHNBKZ-CQSZACIVSA-N 1 3 316.424 2.831 20 0 DFADHO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccc(OCCN(C)C)cc1 ZINC000658250440 430853778 /nfs/dbraw/zinc/85/37/78/430853778.db2.gz FGHPSOLJEXLEGW-JCGIZDLHSA-N 1 3 318.461 2.581 20 0 DFADHO Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000658266232 430857581 /nfs/dbraw/zinc/85/75/81/430857581.db2.gz GMSYVRJHVSRYRK-PVAVHDDUSA-N 1 3 302.466 2.650 20 0 DFADHO Nc1cccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665232195 430861718 /nfs/dbraw/zinc/86/17/18/430861718.db2.gz HUQXLUZGQUDGBF-HKUYNNGSSA-N 1 3 309.413 2.614 20 0 DFADHO C[C@@H]1[C@H]([NH2+]CC2(N)CCCC2)CCCN1Cc1ccccc1 ZINC000665247004 430868683 /nfs/dbraw/zinc/86/86/83/430868683.db2.gz SXUOURINBSFMJT-SJLPKXTDSA-N 1 3 301.478 2.901 20 0 DFADHO C[C@@H]1[C@H](NCC2([NH3+])CCCC2)CCCN1Cc1ccccc1 ZINC000665247004 430868689 /nfs/dbraw/zinc/86/86/89/430868689.db2.gz SXUOURINBSFMJT-SJLPKXTDSA-N 1 3 301.478 2.901 20 0 DFADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CCOC[C@H]2C)cc1 ZINC000665254994 430870368 /nfs/dbraw/zinc/87/03/68/430870368.db2.gz GCFGMIATQSQTFB-FCLVOEFKSA-N 1 3 318.461 2.545 20 0 DFADHO C[C@]1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1(F)F ZINC000665267525 430876765 /nfs/dbraw/zinc/87/67/65/430876765.db2.gz YHBWDPQQUXNEDS-IMJJTQAJSA-N 1 3 308.372 2.877 20 0 DFADHO COc1ccc(C[C@@H](C)NCC[C@@H]([NH3+])C(C)C)c(C)c1OC ZINC000665281510 430881742 /nfs/dbraw/zinc/88/17/42/430881742.db2.gz FLYCEBUPSICPNJ-CZUORRHYSA-N 1 3 308.466 2.906 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]CC[C@@H](N)C(C)C)c(C)c1OC ZINC000665281510 430881746 /nfs/dbraw/zinc/88/17/46/430881746.db2.gz FLYCEBUPSICPNJ-CZUORRHYSA-N 1 3 308.466 2.906 20 0 DFADHO C[C@H](NCc1cccc2c1OC(F)(F)O2)C1CC[NH+](C)CC1 ZINC000658342066 430881836 /nfs/dbraw/zinc/88/18/36/430881836.db2.gz FQRTYFCNFKEQJK-NSHDSACASA-N 1 3 312.360 2.828 20 0 DFADHO OC(CN1CC[C@H](C2CCC2)C1)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665288048 430887671 /nfs/dbraw/zinc/88/76/71/430887671.db2.gz BGMNQRDPDOMEGI-ROUUACIJSA-N 1 3 306.494 2.591 20 0 DFADHO OC(CN1CC[C@H](C2CCC2)C1)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000665288048 430887675 /nfs/dbraw/zinc/88/76/75/430887675.db2.gz BGMNQRDPDOMEGI-ROUUACIJSA-N 1 3 306.494 2.591 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc3cnccc3o2)C1 ZINC000651647605 430840324 /nfs/dbraw/zinc/84/03/24/430840324.db2.gz XGVSMVVIWMNZGH-INIZCTEOSA-N 1 3 317.433 2.761 20 0 DFADHO Cc1ccc(F)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665159145 430841104 /nfs/dbraw/zinc/84/11/04/430841104.db2.gz KSQXZMZYIASTLK-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO Cc1ccc(F)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665159145 430841110 /nfs/dbraw/zinc/84/11/10/430841110.db2.gz KSQXZMZYIASTLK-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000651938825 430919238 /nfs/dbraw/zinc/91/92/38/430919238.db2.gz KDMMTHRJXCCDFX-OTVXOJSOSA-N 1 3 309.498 2.519 20 0 DFADHO CC(C)(C)CC(C)(C)N1CCC([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000651938825 430919240 /nfs/dbraw/zinc/91/92/40/430919240.db2.gz KDMMTHRJXCCDFX-OTVXOJSOSA-N 1 3 309.498 2.519 20 0 DFADHO CCC(CC)CCCN(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000662036375 430930383 /nfs/dbraw/zinc/93/03/83/430930383.db2.gz CMJNYIONDJFMOD-UHFFFAOYSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@]2(O)CCCOC2)CC1 ZINC000652046210 430943871 /nfs/dbraw/zinc/94/38/71/430943871.db2.gz OWYYFDRFNXPCTK-BHIYHBOVSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@]2(O)CCCOC2)CC1 ZINC000652046210 430943876 /nfs/dbraw/zinc/94/38/76/430943876.db2.gz OWYYFDRFNXPCTK-BHIYHBOVSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@]2(O)CCCOC2)CC1 ZINC000652046212 430945084 /nfs/dbraw/zinc/94/50/84/430945084.db2.gz OWYYFDRFNXPCTK-NZSAHSFTSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@]2(O)CCCOC2)CC1 ZINC000652046212 430945088 /nfs/dbraw/zinc/94/50/88/430945088.db2.gz OWYYFDRFNXPCTK-NZSAHSFTSA-N 1 3 324.509 2.551 20 0 DFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000655353281 430973112 /nfs/dbraw/zinc/97/31/12/430973112.db2.gz SLUVHIDUZWIBGP-KZNAEPCWSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000655353281 430973115 /nfs/dbraw/zinc/97/31/15/430973115.db2.gz SLUVHIDUZWIBGP-KZNAEPCWSA-N 1 3 319.493 2.527 20 0 DFADHO O[C@H]1CCN(C2CC[NH+](CC/C=C\c3ccccc3)CC2)C1 ZINC000662150306 430980635 /nfs/dbraw/zinc/98/06/35/430980635.db2.gz USILXXJXYCQFKP-KYLNKMBASA-N 1 3 300.446 2.621 20 0 DFADHO CC(C)C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(F)cc1 ZINC000652143222 430970815 /nfs/dbraw/zinc/97/08/15/430970815.db2.gz SJGFMHCAPTUYHQ-ZWKOTPCHSA-N 1 3 308.441 2.959 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000360040342 288080111 /nfs/dbraw/zinc/08/01/11/288080111.db2.gz UHYJHXGWALZUCE-AHRSYUTCSA-N 1 3 315.505 2.827 20 0 DFADHO Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339996 431025314 /nfs/dbraw/zinc/02/53/14/431025314.db2.gz WVCWMGKMEMKZIX-LJQANCHMSA-N 1 3 310.445 2.711 20 0 DFADHO CN(C/C=C\C[N@H+](C)CC1=CCSC1)CC1=CCSC1 ZINC000662266680 431025836 /nfs/dbraw/zinc/02/58/36/431025836.db2.gz KYVJHNOOOAXZQM-ARJAWSKDSA-N 1 3 310.532 2.753 20 0 DFADHO CN(C/C=C\C[N@@H+](C)CC1=CCSC1)CC1=CCSC1 ZINC000662266680 431025843 /nfs/dbraw/zinc/02/58/43/431025843.db2.gz KYVJHNOOOAXZQM-ARJAWSKDSA-N 1 3 310.532 2.753 20 0 DFADHO CC(C)NCC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000659329478 431028622 /nfs/dbraw/zinc/02/86/22/431028622.db2.gz VVRNYZDPCNJGLB-UHFFFAOYSA-N 1 3 321.490 2.811 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000652355200 431029385 /nfs/dbraw/zinc/02/93/85/431029385.db2.gz QVIJBIWHSWKVCY-CXAGYDPISA-N 1 3 321.440 2.912 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000652355200 431029388 /nfs/dbraw/zinc/02/93/88/431029388.db2.gz QVIJBIWHSWKVCY-CXAGYDPISA-N 1 3 321.440 2.912 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355200 431029395 /nfs/dbraw/zinc/02/93/95/431029395.db2.gz QVIJBIWHSWKVCY-CXAGYDPISA-N 1 3 321.440 2.912 20 0 DFADHO c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c2c(c1)CNCC2 ZINC000662284635 431032422 /nfs/dbraw/zinc/03/24/22/431032422.db2.gz YNPPJHRJBXXPGJ-IEBWSBKVSA-N 1 3 300.446 2.723 20 0 DFADHO c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c2c(c1)CNCC2 ZINC000662284635 431032427 /nfs/dbraw/zinc/03/24/27/431032427.db2.gz YNPPJHRJBXXPGJ-IEBWSBKVSA-N 1 3 300.446 2.723 20 0 DFADHO CO[C@H](CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000662282380 431032657 /nfs/dbraw/zinc/03/26/57/431032657.db2.gz UIYYZGYKVGZKNU-GUDVDZBRSA-N 1 3 318.461 2.592 20 0 DFADHO Fc1ccccc1OCCN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290258 431036073 /nfs/dbraw/zinc/03/60/73/431036073.db2.gz OCEIPGHMXNHPFY-MRXNPFEDSA-N 1 3 306.425 2.916 20 0 DFADHO C(c1noc2c1CCCC2)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298965 431037263 /nfs/dbraw/zinc/03/72/63/431037263.db2.gz YVLZCVULDHUPJF-HNNXBMFYSA-N 1 3 303.450 2.765 20 0 DFADHO C[C@@H]1CCCN(CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313702 431043833 /nfs/dbraw/zinc/04/38/33/431043833.db2.gz XLRGHKPQPWXCKV-DFBDCSAJSA-N 1 3 323.525 2.767 20 0 DFADHO C[NH+](C)CCC[C@@H]1CN(C[C@@H]2CCc3ccccc3C2)CCO1 ZINC000662325878 431047263 /nfs/dbraw/zinc/04/72/63/431047263.db2.gz RWYBDMRUTFLBCU-YLJYHZDGSA-N 1 3 316.489 2.834 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)CCC(C)(C)[NH3+])c1ccsc1 ZINC000649292477 431057753 /nfs/dbraw/zinc/05/77/53/431057753.db2.gz JGIHPMMSLCSXAE-AWEZNQCLSA-N 1 3 311.495 2.765 20 0 DFADHO CN(CCN1CCC[C@H]1[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000649296961 431060117 /nfs/dbraw/zinc/06/01/17/431060117.db2.gz VIHGIIDKFIERQZ-OALUTQOASA-N 1 3 301.478 2.677 20 0 DFADHO CN(CCN1CCC[C@H]1[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000649296961 431060120 /nfs/dbraw/zinc/06/01/20/431060120.db2.gz VIHGIIDKFIERQZ-OALUTQOASA-N 1 3 301.478 2.677 20 0 DFADHO CN(CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C)Cc1ccccc1 ZINC000649296961 431060124 /nfs/dbraw/zinc/06/01/24/431060124.db2.gz VIHGIIDKFIERQZ-OALUTQOASA-N 1 3 301.478 2.677 20 0 DFADHO CN(CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C)Cc1ccccc1 ZINC000649296961 431060127 /nfs/dbraw/zinc/06/01/27/431060127.db2.gz VIHGIIDKFIERQZ-OALUTQOASA-N 1 3 301.478 2.677 20 0 DFADHO Cc1nccn1[C@H]1CCCN(CC[N@@H+](C)Cc2ccccc2)C1 ZINC000649296965 431061272 /nfs/dbraw/zinc/06/12/72/431061272.db2.gz VXIOVOLRNCUQRI-IBGZPJMESA-N 1 3 312.461 2.960 20 0 DFADHO Cc1nccn1[C@H]1CCCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000649296965 431061277 /nfs/dbraw/zinc/06/12/77/431061277.db2.gz VXIOVOLRNCUQRI-IBGZPJMESA-N 1 3 312.461 2.960 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000649322223 431067500 /nfs/dbraw/zinc/06/75/00/431067500.db2.gz GRFZGQZYYOCLSK-XIRDDKMYSA-N 1 3 317.477 2.607 20 0 DFADHO C[C@@H](c1cc2ccccc2o1)N(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249022 431013287 /nfs/dbraw/zinc/01/32/87/431013287.db2.gz NJVKTWBJWXJDPF-ZFWWWQNUSA-N 1 3 300.402 2.947 20 0 DFADHO CCc1ccc(CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662250972 431015030 /nfs/dbraw/zinc/01/50/30/431015030.db2.gz UMDAQRBWHRXOKK-SFHVURJKSA-N 1 3 300.446 2.734 20 0 DFADHO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC3(CNC3)O2)C12CCCCC2 ZINC000662255718 431015060 /nfs/dbraw/zinc/01/50/60/431015060.db2.gz DPZQMHRLBWTBNX-IXDOHACOSA-N 1 3 322.493 2.567 20 0 DFADHO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCC3(CNC3)O2)C12CCCCC2 ZINC000662255718 431015064 /nfs/dbraw/zinc/01/50/64/431015064.db2.gz DPZQMHRLBWTBNX-IXDOHACOSA-N 1 3 322.493 2.567 20 0 DFADHO Clc1ccc([C@@H]2CCCN2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251136 431015560 /nfs/dbraw/zinc/01/55/60/431015560.db2.gz ZVFMXXXNLQINFA-CVEARBPZSA-N 1 3 306.837 2.998 20 0 DFADHO C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662257833 431017984 /nfs/dbraw/zinc/01/79/84/431017984.db2.gz RMGFDLPMXOZMES-RBUKOAKNSA-N 1 3 314.473 2.852 20 0 DFADHO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662257833 431017987 /nfs/dbraw/zinc/01/79/87/431017987.db2.gz RMGFDLPMXOZMES-RBUKOAKNSA-N 1 3 314.473 2.852 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)C[C@@H]1NCc2ccccc21 ZINC000659302298 431018273 /nfs/dbraw/zinc/01/82/73/431018273.db2.gz DNTPNMRDECIJDQ-SFHVURJKSA-N 1 3 309.413 2.969 20 0 DFADHO COc1ccccc1[C@@H]1CCCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258508 431019052 /nfs/dbraw/zinc/01/90/52/431019052.db2.gz VOALQPCFQNFXJG-WBVHZDCISA-N 1 3 316.445 2.743 20 0 DFADHO CC[C@H]([NH2+]C1CCN(C2CCN(C)CC2)CC1)[C@H]1CC1(C)C ZINC000666086536 431112034 /nfs/dbraw/zinc/11/20/34/431112034.db2.gz DPZFBPGOQMKGJR-MSOLQXFVSA-N 1 3 307.526 2.959 20 0 DFADHO Cc1nn(-c2ccccc2F)cc1CNCC1=CC[N@H+](C)CC1 ZINC000655756687 431116444 /nfs/dbraw/zinc/11/64/44/431116444.db2.gz WAFAOEXUZPQEPP-UHFFFAOYSA-N 1 3 314.408 2.671 20 0 DFADHO Cc1nn(-c2ccccc2F)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000655756687 431116454 /nfs/dbraw/zinc/11/64/54/431116454.db2.gz WAFAOEXUZPQEPP-UHFFFAOYSA-N 1 3 314.408 2.671 20 0 DFADHO CN1CCC[C@H](CNC(=O)CCC(C)(C)[NH3+])[C@H]1c1cccs1 ZINC000649340911 431072151 /nfs/dbraw/zinc/07/21/51/431072151.db2.gz AMILREJCCAWCOT-CJNGLKHVSA-N 1 3 323.506 2.765 20 0 DFADHO CC(C)C[N@H+](C)CCCNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000652523575 431080216 /nfs/dbraw/zinc/08/02/16/431080216.db2.gz UUNKCFZDTXXNQI-GOSISDBHSA-N 1 3 319.493 2.774 20 0 DFADHO CC(C)C[N@@H+](C)CCCNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000652523575 431080219 /nfs/dbraw/zinc/08/02/19/431080219.db2.gz UUNKCFZDTXXNQI-GOSISDBHSA-N 1 3 319.493 2.774 20 0 DFADHO C[NH+](C)Cc1cccc(CNC(=O)C[C@@H]2NCc3ccccc32)c1 ZINC000662526160 431105240 /nfs/dbraw/zinc/10/52/40/431105240.db2.gz SYQDVUJKMBQRLO-IBGZPJMESA-N 1 3 323.440 2.599 20 0 DFADHO c1cncc([C@H](NC2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)c1 ZINC000655737980 431107696 /nfs/dbraw/zinc/10/76/96/431107696.db2.gz SNVVRHQPYRUCEA-RBUKOAKNSA-N 1 3 315.461 2.766 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000186999423 279356463 /nfs/dbraw/zinc/35/64/63/279356463.db2.gz VUSXSYBXEUMTES-INIZCTEOSA-N 1 3 313.555 2.525 20 0 DFADHO C[C@@H](C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@@H](N)c1ccccc1 ZINC000662693687 431164415 /nfs/dbraw/zinc/16/44/15/431164415.db2.gz LJFKOMIRLJXRNA-LZLYRXPVSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](C)CN2CCC(C)CC2)cc1 ZINC000662694015 431165133 /nfs/dbraw/zinc/16/51/33/431165133.db2.gz NODVEPDOLDFCDQ-LSDHHAIUSA-N 1 3 303.450 2.557 20 0 DFADHO CCN(C(=O)CC1([NH3+])CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000662693870 431165425 /nfs/dbraw/zinc/16/54/25/431165425.db2.gz MKUQPRJFOBIGMI-DOTOQJQBSA-N 1 3 315.461 2.552 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000659897596 431176959 /nfs/dbraw/zinc/17/69/59/431176959.db2.gz YKXPRKYJYZCOOI-SJLPKXTDSA-N 1 3 316.489 2.884 20 0 DFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C[C@H]1NCc2ccccc21 ZINC000662745329 431184596 /nfs/dbraw/zinc/18/45/96/431184596.db2.gz LYWSZXABKNICOU-FUHWJXTLSA-N 1 3 315.461 2.554 20 0 DFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[C@H]1NCc2ccccc21 ZINC000662745329 431184603 /nfs/dbraw/zinc/18/46/03/431184603.db2.gz LYWSZXABKNICOU-FUHWJXTLSA-N 1 3 315.461 2.554 20 0 DFADHO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000655851599 431187656 /nfs/dbraw/zinc/18/76/56/431187656.db2.gz ZIBPASFQNQGMCM-PQEBFOHHSA-N 1 3 316.445 2.981 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H](O)C(C)C)C2)s1 ZINC000649603423 431191551 /nfs/dbraw/zinc/19/15/51/431191551.db2.gz MALNQVFUCZEVBT-NVXWUHKLSA-N 1 3 310.507 2.827 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H](O)C(C)C)C2)s1 ZINC000649603423 431191556 /nfs/dbraw/zinc/19/15/56/431191556.db2.gz MALNQVFUCZEVBT-NVXWUHKLSA-N 1 3 310.507 2.827 20 0 DFADHO CN1CCC[C@H]1C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000649610031 431194099 /nfs/dbraw/zinc/19/40/99/431194099.db2.gz GECLODSEQYPMSA-PMACEKPBSA-N 1 3 313.489 2.679 20 0 DFADHO CN1CCC[C@H]1C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000649610031 431194102 /nfs/dbraw/zinc/19/41/02/431194102.db2.gz GECLODSEQYPMSA-PMACEKPBSA-N 1 3 313.489 2.679 20 0 DFADHO CN[C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667416 431156014 /nfs/dbraw/zinc/15/60/14/431156014.db2.gz AAJXHNIHYQBZJG-GDBMZVCRSA-N 1 3 309.498 2.534 20 0 DFADHO CN[C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667416 431156018 /nfs/dbraw/zinc/15/60/18/431156018.db2.gz AAJXHNIHYQBZJG-GDBMZVCRSA-N 1 3 309.498 2.534 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662681715 431158939 /nfs/dbraw/zinc/15/89/39/431158939.db2.gz CCRBKSPUBGIYQN-HOTGVXAUSA-N 1 3 321.509 2.522 20 0 DFADHO CN1CCC[C@H](N2CC[NH+](C[C@H]3CCCCC3(C)C)CC2)C1 ZINC000660074803 431257711 /nfs/dbraw/zinc/25/77/11/431257711.db2.gz QMAFGRSGJCZGEQ-MSOLQXFVSA-N 1 3 307.526 2.915 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000655906784 431211033 /nfs/dbraw/zinc/21/10/33/431211033.db2.gz APMOBIMELYNRJL-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO [NH3+][C@H](CCC(=O)N[C@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000662839013 431212718 /nfs/dbraw/zinc/21/27/18/431212718.db2.gz OJLLCCNOXGWLJZ-SQNIBIBYSA-N 1 3 315.461 2.600 20 0 DFADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000655907682 431215040 /nfs/dbraw/zinc/21/50/40/431215040.db2.gz MDJQYBKNKGKIEG-SJORKVTESA-N 1 3 316.449 2.544 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000655948034 431225764 /nfs/dbraw/zinc/22/57/64/431225764.db2.gz WHTFFUMQAMQNLL-VQIMIIECSA-N 1 3 318.461 2.771 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000655948034 431225767 /nfs/dbraw/zinc/22/57/67/431225767.db2.gz WHTFFUMQAMQNLL-VQIMIIECSA-N 1 3 318.461 2.771 20 0 DFADHO C[C@H](CCC(C)(C)C)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000646215346 431228411 /nfs/dbraw/zinc/22/84/11/431228411.db2.gz VNSBQYREUINDGD-MRXNPFEDSA-N 1 3 311.514 2.783 20 0 DFADHO C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@@H](N)c1ccccc1 ZINC000662890902 431229774 /nfs/dbraw/zinc/22/97/74/431229774.db2.gz QCRTYBQHZPAHNQ-CYGHRXIMSA-N 1 3 317.477 2.689 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@H](O)C(C)C ZINC000666446718 431233547 /nfs/dbraw/zinc/23/35/47/431233547.db2.gz JNKLACXSVUVFRR-QZTJIDSGSA-N 1 3 308.466 2.512 20 0 DFADHO CC(C)[NH+]1CCC(N2CCN(C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000660107909 431270630 /nfs/dbraw/zinc/27/06/30/431270630.db2.gz SHJJNBICZZBGPG-QRVBRYPASA-N 1 3 319.537 2.913 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653122332 431272475 /nfs/dbraw/zinc/27/24/75/431272475.db2.gz UBLCEARUGSWKKW-HZPDHXFCSA-N 1 3 301.434 2.526 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H](C3CC3)[C@@H]3CCCCO3)CC2)ccn1 ZINC000656267885 431345894 /nfs/dbraw/zinc/34/58/94/431345894.db2.gz MESKBXFWFLPZHE-OALUTQOASA-N 1 3 315.461 2.988 20 0 DFADHO COc1ccc(OC(F)F)c(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952289 431422323 /nfs/dbraw/zinc/42/23/23/431422323.db2.gz OTJNTRXKBSRGCH-CQSZACIVSA-N 1 3 312.360 2.528 20 0 DFADHO Cc1ccc(CN[C@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000666952163 431423422 /nfs/dbraw/zinc/42/34/22/431423422.db2.gz IRJFKOFYHHIKES-AWEZNQCLSA-N 1 3 309.251 2.989 20 0 DFADHO Cc1cc(N)cc(CNCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000666904967 431401914 /nfs/dbraw/zinc/40/19/14/431401914.db2.gz SQTKQSOHQYQKSG-UHFFFAOYSA-N 1 3 313.445 2.807 20 0 DFADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C[C@H]2C1 ZINC000663463652 431428071 /nfs/dbraw/zinc/42/80/71/431428071.db2.gz AQPBKDOSYUZHBZ-QXCZDIPSSA-N 1 3 306.494 2.902 20 0 DFADHO Cc1ccc2ncc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)n2c1 ZINC000656785154 431522234 /nfs/dbraw/zinc/52/22/34/431522234.db2.gz JQWSKTDOPMOKHK-KRWDZBQOSA-N 1 3 312.461 2.854 20 0 DFADHO Cc1nn(C(C)C)cc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656785417 431522633 /nfs/dbraw/zinc/52/26/33/431522633.db2.gz HDGMKAJSSAFFBO-QGZVFWFLSA-N 1 3 304.482 2.984 20 0 DFADHO COc1cc(C)nc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656784863 431523856 /nfs/dbraw/zinc/52/38/56/431523856.db2.gz DIBOTCPSLSJGIC-INIZCTEOSA-N 1 3 303.450 2.610 20 0 DFADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC[C@H]2CCSC2)cc1 ZINC000656790252 431525054 /nfs/dbraw/zinc/52/50/54/431525054.db2.gz MDDMRJBBCCAFKE-JLSDUUJJSA-N 1 3 320.502 2.874 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCC2)c(C)c1 ZINC000656789679 431525367 /nfs/dbraw/zinc/52/53/67/431525367.db2.gz VEWTYNCHVLTIHU-OAHLLOKOSA-N 1 3 303.450 2.882 20 0 DFADHO CN1C[C@@H](C[NH2+]Cc2cnc3ccccn23)[C@H](c2ccccc2)C1 ZINC000647248798 431526960 /nfs/dbraw/zinc/52/69/60/431526960.db2.gz GAXLRYJVOIEUKT-MJGOQNOKSA-N 1 3 320.440 2.769 20 0 DFADHO CN1C[C@@H](C[NH2+]Cc2cccc3nccn32)[C@H](c2ccccc2)C1 ZINC000647248993 431529167 /nfs/dbraw/zinc/52/91/67/431529167.db2.gz WGZISJNZJPXESN-MJGOQNOKSA-N 1 3 320.440 2.769 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1nc2ccccc2n1C ZINC000091369118 279899107 /nfs/dbraw/zinc/89/91/07/279899107.db2.gz IXAGRPVEMCCDRW-HUUCEWRRSA-N 1 3 318.465 2.581 20 0 DFADHO c1cc2c(cc[nH+]c2N2CC[C@@H](OCCN3CCCCC3)C2)[nH]1 ZINC000663731311 431515804 /nfs/dbraw/zinc/51/58/04/431515804.db2.gz JCGZZJJORDCSNY-OAHLLOKOSA-N 1 3 314.433 2.644 20 0 DFADHO COc1cncc(/C=C\CCN2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660662414 431538814 /nfs/dbraw/zinc/53/88/14/431538814.db2.gz KAIKANAVIDGEKM-ORUDLHBZSA-N 1 3 315.461 2.911 20 0 DFADHO COc1cncc(/C=C\CCN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660662414 431538820 /nfs/dbraw/zinc/53/88/20/431538820.db2.gz KAIKANAVIDGEKM-ORUDLHBZSA-N 1 3 315.461 2.911 20 0 DFADHO COc1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(F)c1 ZINC000650708984 431657531 /nfs/dbraw/zinc/65/75/31/431657531.db2.gz XSPOLHAEFUENRB-RLFYNMQTSA-N 1 3 322.424 2.553 20 0 DFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C[C@]1(C)CC[NH2+]C1 ZINC000647515628 431612678 /nfs/dbraw/zinc/61/26/78/431612678.db2.gz SKYZVTADYJOJQM-IEBWSBKVSA-N 1 3 301.478 2.582 20 0 DFADHO COc1cccc(CC2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000647518672 431616011 /nfs/dbraw/zinc/61/60/11/431616011.db2.gz YRGBIRVXBROASX-IBGZPJMESA-N 1 3 302.462 2.949 20 0 DFADHO C(c1nc2c(s1)CCC2)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542754 431621606 /nfs/dbraw/zinc/62/16/06/431621606.db2.gz BKZNNZLHYLIWPV-KGLIPLIRSA-N 1 3 305.491 2.843 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](c2ccccc2)C1(C)C ZINC000660840561 431623266 /nfs/dbraw/zinc/62/32/66/431623266.db2.gz YWUONDTXTNODTF-ROUUACIJSA-N 1 3 304.478 2.956 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H](c2ccccc2)C1(C)C ZINC000660840561 431623268 /nfs/dbraw/zinc/62/32/68/431623268.db2.gz YWUONDTXTNODTF-ROUUACIJSA-N 1 3 304.478 2.956 20 0 DFADHO CCN(C)c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543316 431624345 /nfs/dbraw/zinc/62/43/45/431624345.db2.gz KXMJTOTVCOIHPM-ZWKOTPCHSA-N 1 3 316.493 2.749 20 0 DFADHO COc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543911 431625905 /nfs/dbraw/zinc/62/59/05/431625905.db2.gz UJGUOSIYLMFBOP-IRXDYDNUSA-N 1 3 318.461 2.915 20 0 DFADHO Cc1cccc2ncc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n21 ZINC000647543101 431626017 /nfs/dbraw/zinc/62/60/17/431626017.db2.gz HRQCFMRTTCARBE-DLBZAZTESA-N 1 3 312.461 2.854 20 0 DFADHO COc1ccsc1CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723318 431664916 /nfs/dbraw/zinc/66/49/16/431664916.db2.gz LHDPWSLECZTEEZ-GUTXKFCHSA-N 1 3 310.463 2.618 20 0 DFADHO CCOc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722191 431665490 /nfs/dbraw/zinc/66/54/90/431665490.db2.gz MYHYZXSPCDOUNL-QRQLOZEOSA-N 1 3 318.461 2.946 20 0 DFADHO COc1ccccc1CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650721880 431666610 /nfs/dbraw/zinc/66/66/10/431666610.db2.gz FAHWYICYRCWSDP-JZXOWHBKSA-N 1 3 304.434 2.556 20 0 DFADHO C[NH2+]Cc1ccccc1CNCc1cn(C)nc1-c1ccc(C)o1 ZINC000650720272 431666694 /nfs/dbraw/zinc/66/66/94/431666694.db2.gz KHXPLGVUGGYROH-UHFFFAOYSA-N 1 3 324.428 2.998 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000650741898 431674885 /nfs/dbraw/zinc/67/48/85/431674885.db2.gz NUENTJLUKFAFJW-LTFXXXRZSA-N 1 3 300.446 2.598 20 0 DFADHO COCC[NH+]1CCC(NCc2cc3c(cccc3C)[nH]2)CC1 ZINC000657331070 431679590 /nfs/dbraw/zinc/67/95/90/431679590.db2.gz MWAAZQBZXWNPSP-UHFFFAOYSA-N 1 3 301.434 2.677 20 0 DFADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000650755789 431681396 /nfs/dbraw/zinc/68/13/96/431681396.db2.gz MTGWUXZFMQQTIE-HNNXBMFYSA-N 1 3 321.428 2.838 20 0 DFADHO c1nc2n(c1C[NH2+]C[C@@H]1CCCN(Cc3ccccc3)C1)CCC2 ZINC000657336277 431683475 /nfs/dbraw/zinc/68/34/75/431683475.db2.gz ZQWCMUVENQDOKW-SFHVURJKSA-N 1 3 324.472 2.831 20 0 DFADHO c1csc(-c2nc(CN[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)co2)c1 ZINC000647784300 431684111 /nfs/dbraw/zinc/68/41/11/431684111.db2.gz PYOMEVIVRCKCKK-RWMBFGLXSA-N 1 3 303.431 2.881 20 0 DFADHO c1cn(CCc2ccccc2)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647788710 431687310 /nfs/dbraw/zinc/68/73/10/431687310.db2.gz PDHARZNCYMYXAT-CEXWTWQISA-N 1 3 324.472 2.604 20 0 DFADHO Cn1c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc2cc(Cl)ccc21 ZINC000647795827 431690238 /nfs/dbraw/zinc/69/02/38/431690238.db2.gz XGGYIAWFWBNQEH-SGMGOOAPSA-N 1 3 318.852 2.704 20 0 DFADHO Fc1cccc(N2CCCC2)c1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647797028 431690960 /nfs/dbraw/zinc/69/09/60/431690960.db2.gz VJKMNPGJDULWKY-BZUAXINKSA-N 1 3 317.452 2.904 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647801466 431694060 /nfs/dbraw/zinc/69/40/60/431694060.db2.gz WKEFGJDUSJIMHE-RBSFLKMASA-N 1 3 306.475 2.908 20 0 DFADHO C[C@H]1CCC[C@H](C)[NH+]1CCNCc1ccnn1-c1ccncc1 ZINC000657352527 431696241 /nfs/dbraw/zinc/69/62/41/431696241.db2.gz AIFMIQUTNJTYBR-HOTGVXAUSA-N 1 3 313.449 2.620 20 0 DFADHO C[C@H]1CCC[C@H](C)N1CC[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657352527 431696245 /nfs/dbraw/zinc/69/62/45/431696245.db2.gz AIFMIQUTNJTYBR-HOTGVXAUSA-N 1 3 313.449 2.620 20 0 DFADHO CCCn1nccc1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000657425728 431746053 /nfs/dbraw/zinc/74/60/53/431746053.db2.gz NQJIRABCHPCFPY-UHFFFAOYSA-N 1 3 313.449 2.694 20 0 DFADHO Cc1ccc(C[C@@H]2CCCN2C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000647964001 431754450 /nfs/dbraw/zinc/75/44/50/431754450.db2.gz MIARARXXYSDPPC-OALUTQOASA-N 1 3 304.478 2.703 20 0 DFADHO Cc1ccc(C[C@@H]2CCCN2C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000647964001 431754461 /nfs/dbraw/zinc/75/44/61/431754461.db2.gz MIARARXXYSDPPC-OALUTQOASA-N 1 3 304.478 2.703 20 0 DFADHO CCCN(C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000647965028 431757126 /nfs/dbraw/zinc/75/71/26/431757126.db2.gz COTMOYJGBUNMNB-BRWVUGGUSA-N 1 3 314.514 2.603 20 0 DFADHO CCCN(C[C@H](O)C[N@@H+](C)C(C)C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000647965028 431757135 /nfs/dbraw/zinc/75/71/35/431757135.db2.gz COTMOYJGBUNMNB-BRWVUGGUSA-N 1 3 314.514 2.603 20 0 DFADHO Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000657452708 431761118 /nfs/dbraw/zinc/76/11/18/431761118.db2.gz IKTBHCYNJPHAFV-QGZVFWFLSA-N 1 3 324.472 2.909 20 0 DFADHO CC(C)N(C(=O)[C@@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C(C)C ZINC000647975848 431761894 /nfs/dbraw/zinc/76/18/94/431761894.db2.gz GUIDHGNLNSQCNP-FGTMMUONSA-N 1 3 323.525 2.732 20 0 DFADHO C[C@H](C(=O)Nc1ccccc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976911 431762582 /nfs/dbraw/zinc/76/25/82/431762582.db2.gz VZVMBICPMBJRRL-IKGGRYGDSA-N 1 3 315.461 2.725 20 0 DFADHO Cc1cccc2[nH]c(C[NH2+]CCN3CCN(C)C(C)(C)C3)cc21 ZINC000657458456 431764148 /nfs/dbraw/zinc/76/41/48/431764148.db2.gz LMJVKMVZURFOOW-UHFFFAOYSA-N 1 3 314.477 2.592 20 0 DFADHO CC(C)CC[NH+]1CCC(CNCc2cc3n(n2)CCC3)CC1 ZINC000657391752 431723163 /nfs/dbraw/zinc/72/31/63/431723163.db2.gz YVPSZBNGPVZSLP-UHFFFAOYSA-N 1 3 304.482 2.677 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc(F)cc(Cl)c1 ZINC000657573109 431814563 /nfs/dbraw/zinc/81/45/63/431814563.db2.gz JSKFXVCEAJUCDD-ZDUSSCGKSA-N 1 3 315.864 2.841 20 0 DFADHO CCC[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000647990905 431767689 /nfs/dbraw/zinc/76/76/89/431767689.db2.gz UDNGWFRFFJGLHN-RTBURBONSA-N 1 3 301.478 2.582 20 0 DFADHO Cc1sccc1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657595802 431821745 /nfs/dbraw/zinc/82/17/45/431821745.db2.gz KCPFIBIBUBFBJZ-GOSISDBHSA-N 1 3 316.470 2.913 20 0 DFADHO Cc1sccc1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657595802 431821748 /nfs/dbraw/zinc/82/17/48/431821748.db2.gz KCPFIBIBUBFBJZ-GOSISDBHSA-N 1 3 316.470 2.913 20 0 DFADHO CC[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000657612676 431825445 /nfs/dbraw/zinc/82/54/45/431825445.db2.gz CGVOBIMCYHDVFJ-RTBURBONSA-N 1 3 317.477 2.841 20 0 DFADHO CN(C)CCN(CCCc1ccccc1)C(=O)CCC(C)(C)[NH3+] ZINC000648151619 431827309 /nfs/dbraw/zinc/82/73/09/431827309.db2.gz WPCWYBPQIBCLKS-UHFFFAOYSA-N 1 3 319.493 2.527 20 0 DFADHO C[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000245200345 289348289 /nfs/dbraw/zinc/34/82/89/289348289.db2.gz AIDROUOLONDNSG-QLFBSQMISA-N 1 3 309.498 2.627 20 0 DFADHO C[C@H](CNC(=O)[C@@H](N)CC1CCCCC1)C[NH+]1CCCCC1 ZINC000318720910 289675258 /nfs/dbraw/zinc/67/52/58/289675258.db2.gz HHAVBENMJLYJRI-WBVHZDCISA-N 1 3 309.498 2.522 20 0 DFADHO CC[NH+](CC)CCOCCNCc1cc2c(cccc2F)[nH]1 ZINC000436401126 297001379 /nfs/dbraw/zinc/00/13/79/297001379.db2.gz NSIPPHRQUDVIQX-UHFFFAOYSA-N 1 3 307.413 2.755 20 0 DFADHO CC(C)Cn1ccnc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000436472293 297004992 /nfs/dbraw/zinc/00/49/92/297004992.db2.gz ZLSRHWSRHVRDAI-UHFFFAOYSA-N 1 3 313.449 2.693 20 0 DFADHO C[NH+](C)CC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000437586513 297064900 /nfs/dbraw/zinc/06/49/00/297064900.db2.gz YGDCEHXAGMAFDH-UHFFFAOYSA-N 1 3 304.463 2.912 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437848975 297072014 /nfs/dbraw/zinc/07/20/14/297072014.db2.gz XILHEGPOVKHPFS-ZWKOTPCHSA-N 1 3 321.509 2.774 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437848975 297072017 /nfs/dbraw/zinc/07/20/17/297072017.db2.gz XILHEGPOVKHPFS-ZWKOTPCHSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(F)ccc1F ZINC000154350159 295298237 /nfs/dbraw/zinc/29/82/37/295298237.db2.gz QQTZDCSXZMUKCV-AWEZNQCLSA-N 1 3 311.420 2.643 20 0 DFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)cc1F ZINC000154362963 295298640 /nfs/dbraw/zinc/29/86/40/295298640.db2.gz JUUGQNWXCMMNOO-AWEZNQCLSA-N 1 3 311.420 2.643 20 0 DFADHO C[C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)CN1C1CC1 ZINC000157547533 295350052 /nfs/dbraw/zinc/35/00/52/295350052.db2.gz YOVJSIVZEPOSLO-RDJZCZTQSA-N 1 3 305.510 2.998 20 0 DFADHO C[C@H]1CN(CCCC[N@H+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000157647536 295351732 /nfs/dbraw/zinc/35/17/32/295351732.db2.gz FTQWBDFEECVNCO-HOTGVXAUSA-N 1 3 312.498 2.765 20 0 DFADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C)C2)cc1NC(C)=O ZINC000158217553 295360245 /nfs/dbraw/zinc/36/02/45/295360245.db2.gz SLPIWHPDRJSDDO-DZGCQCFKSA-N 1 3 319.449 2.646 20 0 DFADHO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000368088313 295456805 /nfs/dbraw/zinc/45/68/05/295456805.db2.gz GJRUCLSDMIAWKF-RYQLBKOJSA-N 1 3 305.510 2.737 20 0 DFADHO C[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000397497557 295488048 /nfs/dbraw/zinc/48/80/48/295488048.db2.gz FRKMQQRLRUWWPW-MRXNPFEDSA-N 1 3 314.429 2.957 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000411743443 295556846 /nfs/dbraw/zinc/55/68/46/295556846.db2.gz IOBGQRKMLCXQAM-QGZVFWFLSA-N 1 3 321.509 2.680 20 0 DFADHO C[C@@H](CNC(=O)c1cccc(CN2CCCCC2)c1)C[NH+](C)C ZINC000412355257 295615374 /nfs/dbraw/zinc/61/53/74/295615374.db2.gz DEBVLANUEAULFU-INIZCTEOSA-N 1 3 317.477 2.600 20 0 DFADHO c1csc(CN2CCC(C[NH2+]CC[C@@H]3CCOC3)CC2)c1 ZINC000438206441 297084821 /nfs/dbraw/zinc/08/48/21/297084821.db2.gz JFZRPFWDYXQVFT-MRXNPFEDSA-N 1 3 308.491 2.976 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000438567814 297099271 /nfs/dbraw/zinc/09/92/71/297099271.db2.gz OIZVTBVDGZKFIB-FUHWJXTLSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000438567814 297099272 /nfs/dbraw/zinc/09/92/72/297099272.db2.gz OIZVTBVDGZKFIB-FUHWJXTLSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000439934750 297141043 /nfs/dbraw/zinc/14/10/43/297141043.db2.gz SGDYYONZWSWZRA-SFHVURJKSA-N 1 3 321.509 2.630 20 0 DFADHO COC(=O)CC1(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000440498652 297154673 /nfs/dbraw/zinc/15/46/73/297154673.db2.gz ZHTJPVQDXSVZLW-HUUCEWRRSA-N 1 3 308.466 2.572 20 0 DFADHO COC(=O)CC1(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000440498652 297154674 /nfs/dbraw/zinc/15/46/74/297154674.db2.gz ZHTJPVQDXSVZLW-HUUCEWRRSA-N 1 3 308.466 2.572 20 0 DFADHO COC(=O)CC1(C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000440498652 297154675 /nfs/dbraw/zinc/15/46/75/297154675.db2.gz ZHTJPVQDXSVZLW-HUUCEWRRSA-N 1 3 308.466 2.572 20 0 DFADHO C/C(=C/c1ccccc1)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441334637 297180018 /nfs/dbraw/zinc/18/00/18/297180018.db2.gz OKYJQNIKFKGKGR-VKAVYKQESA-N 1 3 301.478 2.706 20 0 DFADHO CN1CCN(CC[NH2+]Cc2cc3cc(F)ccc3o2)CC1(C)C ZINC000441369504 297181094 /nfs/dbraw/zinc/18/10/94/297181094.db2.gz VKAKEZKZBDNSSQ-UHFFFAOYSA-N 1 3 319.424 2.688 20 0 DFADHO C[C@H]1C[C@H](C[NH3+])CN1CCOc1ccc(C(F)(F)F)cc1 ZINC000442773855 297205574 /nfs/dbraw/zinc/20/55/74/297205574.db2.gz DHEFSXWZFWDGNR-NWDGAFQWSA-N 1 3 302.340 2.753 20 0 DFADHO CCOc1c(OC)cc(CN2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442922279 297211289 /nfs/dbraw/zinc/21/12/89/297211289.db2.gz KEMKEVLCDHGHDB-AWEZNQCLSA-N 1 3 322.449 2.663 20 0 DFADHO [NH3+]CC[C@@H]1CCCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000443065989 297214725 /nfs/dbraw/zinc/21/47/25/297214725.db2.gz DDAJYNJWHISNPI-BBRMVZONSA-N 1 3 321.852 2.506 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCN(C)c2ccccc2)C1 ZINC000444266435 297234462 /nfs/dbraw/zinc/23/44/62/297234462.db2.gz CTKVWFSCZPOWQQ-LJQANCHMSA-N 1 3 319.493 2.556 20 0 DFADHO CC1(C)CCCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000444626624 297242443 /nfs/dbraw/zinc/24/24/43/297242443.db2.gz AFJXMALODLUMDF-KRWDZBQOSA-N 1 3 321.509 2.632 20 0 DFADHO CC1(C)CCCN(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000444626624 297242444 /nfs/dbraw/zinc/24/24/44/297242444.db2.gz AFJXMALODLUMDF-KRWDZBQOSA-N 1 3 321.509 2.632 20 0 DFADHO Cc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c(C)o1 ZINC000447572495 297308825 /nfs/dbraw/zinc/30/88/25/297308825.db2.gz CGMNZKIVDMMLFN-DOPJRALCSA-N 1 3 306.450 2.925 20 0 DFADHO Cc1ccc(OC(F)F)c([C@@H](C)NCCOCC[NH+](C)C)c1 ZINC000447591658 297310015 /nfs/dbraw/zinc/31/00/15/297310015.db2.gz DZVCXZHJHWYGGU-CYBMUJFWSA-N 1 3 316.392 2.825 20 0 DFADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCOCCN(C)C)CC3 ZINC000447597819 297310363 /nfs/dbraw/zinc/31/03/63/297310363.db2.gz TVZUEVZYCAERPN-OAHLLOKOSA-N 1 3 315.461 2.501 20 0 DFADHO CN(C)CCOCC[NH2+][C@H]1CCC[C@@H]1CCc1ccccc1 ZINC000447603839 297310604 /nfs/dbraw/zinc/31/06/04/297310604.db2.gz XZQOOQPRAICZRL-MOPGFXCFSA-N 1 3 304.478 2.956 20 0 DFADHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cs1 ZINC000449036595 297395334 /nfs/dbraw/zinc/39/53/34/297395334.db2.gz KOLJRMBETLQFMY-WMLDXEAASA-N 1 3 307.507 2.514 20 0 DFADHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cs1 ZINC000449036595 297395335 /nfs/dbraw/zinc/39/53/35/297395335.db2.gz KOLJRMBETLQFMY-WMLDXEAASA-N 1 3 307.507 2.514 20 0 DFADHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cs1 ZINC000449036594 297395474 /nfs/dbraw/zinc/39/54/74/297395474.db2.gz KOLJRMBETLQFMY-RHSMWYFYSA-N 1 3 307.507 2.514 20 0 DFADHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cs1 ZINC000449036594 297395476 /nfs/dbraw/zinc/39/54/76/297395476.db2.gz KOLJRMBETLQFMY-RHSMWYFYSA-N 1 3 307.507 2.514 20 0 DFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C2CCN(C)CC2)CC1 ZINC000449063331 297398880 /nfs/dbraw/zinc/39/88/80/297398880.db2.gz PCEPLJGBPCZTTH-QGZVFWFLSA-N 1 3 315.505 2.766 20 0 DFADHO CN(C)CCN1CCC([NH2+]Cc2cccc3ccoc32)CC1 ZINC000449072679 297400584 /nfs/dbraw/zinc/40/05/84/297400584.db2.gz GFNRHVVPFJLMJN-UHFFFAOYSA-N 1 3 301.434 2.548 20 0 DFADHO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C1 ZINC000449104597 297405916 /nfs/dbraw/zinc/40/59/16/297405916.db2.gz ANHMVKAGAUDFKO-GPMSIDNRSA-N 1 3 307.526 2.959 20 0 DFADHO CCN1CCN(CCC[NH2+]C2CCC(CSC)CC2)CC1 ZINC000449221210 297424891 /nfs/dbraw/zinc/42/48/91/297424891.db2.gz SOSPEEXTBWMODI-UHFFFAOYSA-N 1 3 313.555 2.525 20 0 DFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000449319921 297444731 /nfs/dbraw/zinc/44/47/31/297444731.db2.gz HIZICZVIPSKLID-QZTJIDSGSA-N 1 3 321.509 2.619 20 0 DFADHO CC[NH+](CC)CCOC1CCN(CCc2cscn2)CC1 ZINC000450452413 297633157 /nfs/dbraw/zinc/63/31/57/297633157.db2.gz MQHRSRFZGWGOOA-UHFFFAOYSA-N 1 3 311.495 2.508 20 0 DFADHO COc1cc(CNCCOCC[NH+](C)C)cc2ccccc21 ZINC000451155321 297756787 /nfs/dbraw/zinc/75/67/87/297756787.db2.gz OGRSILOBZFQQCV-UHFFFAOYSA-N 1 3 302.418 2.516 20 0 DFADHO C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000453115267 298063135 /nfs/dbraw/zinc/06/31/35/298063135.db2.gz WYSKXPWQRZFHJM-HKUYNNGSSA-N 1 3 324.472 2.562 20 0 DFADHO C[C@@H](Cc1cnccn1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000453115267 298063137 /nfs/dbraw/zinc/06/31/37/298063137.db2.gz WYSKXPWQRZFHJM-HKUYNNGSSA-N 1 3 324.472 2.562 20 0 DFADHO C[C@@H](Cc1cnccn1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000453115267 298063143 /nfs/dbraw/zinc/06/31/43/298063143.db2.gz WYSKXPWQRZFHJM-HKUYNNGSSA-N 1 3 324.472 2.562 20 0 DFADHO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000453198197 298070746 /nfs/dbraw/zinc/07/07/46/298070746.db2.gz OUTRZNVOWXXHAO-PMPSAXMXSA-N 1 3 302.466 2.650 20 0 DFADHO C[C@H](Cc1cnccn1)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453198197 298070748 /nfs/dbraw/zinc/07/07/48/298070748.db2.gz OUTRZNVOWXXHAO-PMPSAXMXSA-N 1 3 302.466 2.650 20 0 DFADHO C[C@H](Cc1cnccn1)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000453198197 298070750 /nfs/dbraw/zinc/07/07/50/298070750.db2.gz OUTRZNVOWXXHAO-PMPSAXMXSA-N 1 3 302.466 2.650 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)CO2 ZINC000453195960 298071089 /nfs/dbraw/zinc/07/10/89/298071089.db2.gz QJRXGGHCYBIYKR-WBVHZDCISA-N 1 3 318.461 2.853 20 0 DFADHO C[C@H]([NH2+][C@H]1CCOC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000453298260 298081069 /nfs/dbraw/zinc/08/10/69/298081069.db2.gz SFLKYVHMBXSGFV-YOEHRIQHSA-N 1 3 306.450 2.845 20 0 DFADHO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453332665 298083803 /nfs/dbraw/zinc/08/38/03/298083803.db2.gz VKCPXGXKVQMKSD-BMGDILEWSA-N 1 3 306.450 2.845 20 0 DFADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)C34CCCN3CCC4)ccc21 ZINC000456344099 298501289 /nfs/dbraw/zinc/50/12/89/298501289.db2.gz ZURNSRKBDATZHB-KRWDZBQOSA-N 1 3 313.445 2.802 20 0 DFADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cccc(N2CCOC2=O)c1 ZINC000496972113 300140564 /nfs/dbraw/zinc/14/05/64/300140564.db2.gz BFSXHUBLADMNDM-LXZKKBNFSA-N 1 3 317.433 2.811 20 0 DFADHO CC(C)N1CCC[C@@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000497012121 300146948 /nfs/dbraw/zinc/14/69/48/300146948.db2.gz AEUYRKSJACSFAZ-HNNXBMFYSA-N 1 3 313.486 2.611 20 0 DFADHO CC[C@H](CN[C@@H]1CC[N@H+](CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000497157761 300170361 /nfs/dbraw/zinc/17/03/61/300170361.db2.gz DNXRTLZBULUUBK-RRFJBIMHSA-N 1 3 313.486 2.610 20 0 DFADHO CC[C@H](CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000497157761 300170363 /nfs/dbraw/zinc/17/03/63/300170363.db2.gz DNXRTLZBULUUBK-RRFJBIMHSA-N 1 3 313.486 2.610 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000497169278 300172457 /nfs/dbraw/zinc/17/24/57/300172457.db2.gz UBXQTFKPEMALKI-GJZGRUSLSA-N 1 3 313.486 2.706 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000497169278 300172460 /nfs/dbraw/zinc/17/24/60/300172460.db2.gz UBXQTFKPEMALKI-GJZGRUSLSA-N 1 3 313.486 2.706 20 0 DFADHO CN(CCC[NH+](C)C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000497304379 300188744 /nfs/dbraw/zinc/18/87/44/300188744.db2.gz LQYDDCPKBIMHTG-OAHLLOKOSA-N 1 3 313.486 2.517 20 0 DFADHO CCC[C@@H](C)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000500994442 300210048 /nfs/dbraw/zinc/21/00/48/300210048.db2.gz UFUQOAWNCLDUDU-QGZVFWFLSA-N 1 3 319.493 2.938 20 0 DFADHO CC[NH+](CC)CC1CCN(Cc2cnn(CC(F)F)c2)CC1 ZINC000507210366 300234013 /nfs/dbraw/zinc/23/40/13/300234013.db2.gz KRGSEVGZLUBCTA-UHFFFAOYSA-N 1 3 314.424 2.702 20 0 DFADHO C[NH+](C)CC[C@H](NCCC(=O)Nc1ccccc1)C(C)(C)C ZINC000514669115 300265664 /nfs/dbraw/zinc/26/56/64/300265664.db2.gz TZZOKMOPNZABJK-INIZCTEOSA-N 1 3 305.466 2.971 20 0 DFADHO FC(F)(F)CN1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000515053403 300286997 /nfs/dbraw/zinc/28/69/97/300286997.db2.gz YBQXGQGBKKWNDA-LJISPDSOSA-N 1 3 319.415 2.523 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000515074776 300289447 /nfs/dbraw/zinc/28/94/47/300289447.db2.gz YHVJTXMGJJNURU-ROUUACIJSA-N 1 3 312.461 2.973 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000515074776 300289449 /nfs/dbraw/zinc/28/94/49/300289449.db2.gz YHVJTXMGJJNURU-ROUUACIJSA-N 1 3 312.461 2.973 20 0 DFADHO CC(C)CN1CCC([NH2+]C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000516562975 300348474 /nfs/dbraw/zinc/34/84/74/300348474.db2.gz LFOMMNXEKOGMFK-VQIMIIECSA-N 1 3 304.478 2.861 20 0 DFADHO C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)no1 ZINC000516861496 300363979 /nfs/dbraw/zinc/36/39/79/300363979.db2.gz QHWKOUNODQQUCN-IJEWVQPXSA-N 1 3 314.433 2.818 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(NC(=O)c3ccncc3)cc2)C1 ZINC000516937592 300370804 /nfs/dbraw/zinc/37/08/04/300370804.db2.gz LHEKLOBOLRUQDL-WMZOPIPTSA-N 1 3 324.428 2.693 20 0 DFADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@@H]3CCCC[C@@H]3O)C2)CC1 ZINC000517032825 300379371 /nfs/dbraw/zinc/37/93/71/300379371.db2.gz CGDGNJGKWMFUMP-FHWLQOOXSA-N 1 3 308.510 2.981 20 0 DFADHO CC1CCN(C[C@@H]2CCC[N@H+](C[C@@H]3CCCC[C@@H]3O)C2)CC1 ZINC000517032825 300379375 /nfs/dbraw/zinc/37/93/75/300379375.db2.gz CGDGNJGKWMFUMP-FHWLQOOXSA-N 1 3 308.510 2.981 20 0 DFADHO CC1CCN(C[C@@H]2CCC[N@@H+](C[C@@H]3CCCC[C@@H]3O)C2)CC1 ZINC000517032825 300379378 /nfs/dbraw/zinc/37/93/78/300379378.db2.gz CGDGNJGKWMFUMP-FHWLQOOXSA-N 1 3 308.510 2.981 20 0 DFADHO OC1(C[NH2+]CC2CCN(Cc3cccs3)CC2)CCCC1 ZINC000517732311 300404781 /nfs/dbraw/zinc/40/47/81/300404781.db2.gz BFROBWIRGHIYIA-UHFFFAOYSA-N 1 3 308.491 2.855 20 0 DFADHO CC(C)(CNC(=O)Nc1ccc2c(c1)CNC2)[NH+]1CCCCC1 ZINC000519528458 300455926 /nfs/dbraw/zinc/45/59/26/300455926.db2.gz CIXDSNGGJDUDSW-UHFFFAOYSA-N 1 3 316.449 2.676 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C(C)(C)N)C1 ZINC000164843820 300482642 /nfs/dbraw/zinc/48/26/42/300482642.db2.gz OKMYERLYPBWMCU-GJZGRUSLSA-N 1 3 317.477 2.518 20 0 DFADHO Cc1c([C@@H](C)NCCC2=CC[NH2+]CC2)nnn1-c1ccccc1 ZINC000521026793 300515532 /nfs/dbraw/zinc/51/55/32/300515532.db2.gz OWAAZWOYSZLDIL-CQSZACIVSA-N 1 3 311.433 2.536 20 0 DFADHO C/C(=C/c1ccccc1)C[NH2+]CCCCN1CCN(C)CC1 ZINC000521815984 300536809 /nfs/dbraw/zinc/53/68/09/300536809.db2.gz HKOZMEKDILCATF-VLGSPTGOSA-N 1 3 301.478 2.707 20 0 DFADHO CC(=O)N1CC[C@H](NCc2ccc(C[NH3+])cc2)c2ccccc2C1 ZINC000521876318 300539374 /nfs/dbraw/zinc/53/93/74/300539374.db2.gz XQXZCKGBXINRHQ-FQEVSTJZSA-N 1 3 323.440 2.728 20 0 DFADHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527665514 300669227 /nfs/dbraw/zinc/66/92/27/300669227.db2.gz JIRSXVIHVFDDMT-NEWSRXKRSA-N 1 3 319.537 2.961 20 0 DFADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000530024876 301006295 /nfs/dbraw/zinc/00/62/95/301006295.db2.gz YBBUOLKQMGCWRY-ROUUACIJSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000530024876 301006296 /nfs/dbraw/zinc/00/62/96/301006296.db2.gz YBBUOLKQMGCWRY-ROUUACIJSA-N 1 3 319.493 2.527 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCNC12CCC2 ZINC000530178651 301026200 /nfs/dbraw/zinc/02/62/00/301026200.db2.gz PKNPHRQYZMPUIV-CXAGYDPISA-N 1 3 302.418 2.611 20 0 DFADHO C[C@]1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)COc2ccccc2O1 ZINC000530214258 301029421 /nfs/dbraw/zinc/02/94/21/301029421.db2.gz WLPDGJKZFVEREC-GGXPGOJBSA-N 1 3 316.445 2.727 20 0 DFADHO CO[C@@H](CN1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000530218380 301030626 /nfs/dbraw/zinc/03/06/26/301030626.db2.gz FSUCFHGFFXTSDK-AEFFLSMTSA-N 1 3 306.425 2.835 20 0 DFADHO Cc1cc(F)ccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248302 301033763 /nfs/dbraw/zinc/03/37/63/301033763.db2.gz IMDLNMRNDFARBR-SFHVURJKSA-N 1 3 306.425 2.725 20 0 DFADHO C(=C\c1ccccc1)\CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249308 301034221 /nfs/dbraw/zinc/03/42/21/301034221.db2.gz VAHNYLFITLJXBG-BQHGXPCASA-N 1 3 300.446 2.790 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000531687246 301104212 /nfs/dbraw/zinc/10/42/12/301104212.db2.gz WJFIWXBSKFIUGD-KRWDZBQOSA-N 1 3 319.493 2.682 20 0 DFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532235221 301138353 /nfs/dbraw/zinc/13/83/53/301138353.db2.gz RXNWSMQFCIIGRJ-DVOMOZLQSA-N 1 3 301.434 2.705 20 0 DFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532235221 301138355 /nfs/dbraw/zinc/13/83/55/301138355.db2.gz RXNWSMQFCIIGRJ-DVOMOZLQSA-N 1 3 301.434 2.705 20 0 DFADHO C[C@H](CC(=O)N1CCCCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000532461965 301154232 /nfs/dbraw/zinc/15/42/32/301154232.db2.gz RWCSLMKJUOWEAH-MRXNPFEDSA-N 1 3 321.509 2.774 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000535229320 301251591 /nfs/dbraw/zinc/25/15/91/301251591.db2.gz KZNMXDUCFHMYJU-RCCFBDPRSA-N 1 3 323.525 2.545 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCCN1CCN(C)CC1)[C@@H](C)C2 ZINC000538709290 301328668 /nfs/dbraw/zinc/32/86/68/301328668.db2.gz CEZQELKIXZHRHK-PXNSSMCTSA-N 1 3 315.505 2.846 20 0 DFADHO C[NH+](C)CCOc1ccccc1N1CCN(C2CCCC2)CC1 ZINC000538962256 301335667 /nfs/dbraw/zinc/33/56/67/301335667.db2.gz CIMBPNACJHVMIV-UHFFFAOYSA-N 1 3 317.477 2.692 20 0 DFADHO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000539072685 301337938 /nfs/dbraw/zinc/33/79/38/301337938.db2.gz ZWYHSCVEXNSNGO-SJLPKXTDSA-N 1 3 317.477 2.646 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000539306718 301340310 /nfs/dbraw/zinc/34/03/10/301340310.db2.gz FSRDXFCXYCLJKD-IBGZPJMESA-N 1 3 319.468 2.820 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000541571821 301389865 /nfs/dbraw/zinc/38/98/65/301389865.db2.gz UKIBQHSGEBQXCU-SMDDNHRTSA-N 1 3 300.368 2.966 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000541571821 301389869 /nfs/dbraw/zinc/38/98/69/301389869.db2.gz UKIBQHSGEBQXCU-SMDDNHRTSA-N 1 3 300.368 2.966 20 0 DFADHO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000552279556 301688569 /nfs/dbraw/zinc/68/85/69/301688569.db2.gz RYNLGUWEHINCET-QZTJIDSGSA-N 1 3 321.509 2.561 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000562959262 302017983 /nfs/dbraw/zinc/01/79/83/302017983.db2.gz OSOCPCIAXPTAFC-IXDOHACOSA-N 1 3 307.869 2.946 20 0 DFADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000562959262 302017986 /nfs/dbraw/zinc/01/79/86/302017986.db2.gz OSOCPCIAXPTAFC-IXDOHACOSA-N 1 3 307.869 2.946 20 0 DFADHO CC(C)C[C@H](CNC(=O)[C@H](N)C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000563074927 302034696 /nfs/dbraw/zinc/03/46/96/302034696.db2.gz UOEPXNHVGOJHRU-KBAYOESNSA-N 1 3 319.493 2.851 20 0 DFADHO CC1CC[NH+](C[C@@H]2CCCN(CCCc3cncn3C)C2)CC1 ZINC000563355932 302066110 /nfs/dbraw/zinc/06/61/10/302066110.db2.gz OKAVBIVOMVTSAY-GOSISDBHSA-N 1 3 318.509 2.797 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000563582678 302084248 /nfs/dbraw/zinc/08/42/48/302084248.db2.gz QUHBLZCLFTZFAI-IBGZPJMESA-N 1 3 316.493 2.540 20 0 DFADHO CC(C)(C(=O)NCC[NH+]1CCCCCC1)[C@H](N)c1ccccc1 ZINC000564563902 302141303 /nfs/dbraw/zinc/14/13/03/302141303.db2.gz DJEFRLCTBICXDL-QGZVFWFLSA-N 1 3 317.477 2.705 20 0 DFADHO CC(C)[NH+](CCCNC(=O)[C@@H](C)[C@@H](N)c1ccccc1)C(C)C ZINC000564924697 302174072 /nfs/dbraw/zinc/17/40/72/302174072.db2.gz NYINMWYERLXTHC-FUHWJXTLSA-N 1 3 319.493 2.948 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000564989677 302179718 /nfs/dbraw/zinc/17/97/18/302179718.db2.gz WXADCXZFBUJJFX-MSOLQXFVSA-N 1 3 311.429 2.622 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000564989677 302179721 /nfs/dbraw/zinc/17/97/21/302179721.db2.gz WXADCXZFBUJJFX-MSOLQXFVSA-N 1 3 311.429 2.622 20 0 DFADHO CCC(CC)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000565667445 302237251 /nfs/dbraw/zinc/23/72/51/302237251.db2.gz ZMBOIPGHSNCLKH-UHFFFAOYSA-N 1 3 323.525 2.735 20 0 DFADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCc1cncn1C ZINC000566017421 302253938 /nfs/dbraw/zinc/25/39/38/302253938.db2.gz VVJDSJHGYQDOBJ-AEFFLSMTSA-N 1 3 306.498 2.843 20 0 DFADHO Cc1ccncc1[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000271352357 302295264 /nfs/dbraw/zinc/29/52/64/302295264.db2.gz DLLVJNGZWBOHHS-ULQDDVLXSA-N 1 3 305.466 2.930 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000566967963 302326003 /nfs/dbraw/zinc/32/60/03/302326003.db2.gz ZUYYMSHZKQSNPG-WBVHZDCISA-N 1 3 324.428 2.551 20 0 DFADHO c1cc2c(cc1CN1CC[C@@H](c3nc(C4CC4)no3)C1)C[NH2+]CC2 ZINC000567595414 302371642 /nfs/dbraw/zinc/37/16/42/302371642.db2.gz GRXPZAAGKIZDOD-MRXNPFEDSA-N 1 3 324.428 2.582 20 0 DFADHO COc1ccccc1OCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000569566734 302525667 /nfs/dbraw/zinc/52/56/67/302525667.db2.gz YVZLCXSQIWGQCJ-BZUAXINKSA-N 1 3 304.434 2.584 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)[C@H]1CCCNC1 ZINC000574307562 302752160 /nfs/dbraw/zinc/75/21/60/302752160.db2.gz ISQNBPNVJHMJMG-XHSDSOJGSA-N 1 3 305.441 2.630 20 0 DFADHO [NH3+]C1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCCCC1 ZINC000237924589 303355578 /nfs/dbraw/zinc/35/55/78/303355578.db2.gz LCQURGRSKMXJKU-KRWDZBQOSA-N 1 3 315.461 2.601 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCN(C)C)c2)C1(C)C ZINC000181524624 316062057 /nfs/dbraw/zinc/06/20/57/316062057.db2.gz DBIAPMIQHYBKBO-QZTJIDSGSA-N 1 3 320.477 2.920 20 0 DFADHO C[C@@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH+]1CCCCC1 ZINC000182249816 316092805 /nfs/dbraw/zinc/09/28/05/316092805.db2.gz OBIMILXBJBVJQE-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO CC1CC[NH+](CCCCN[C@@H](c2nccn2C)C2CC2)CC1 ZINC000183248512 316135885 /nfs/dbraw/zinc/13/58/85/316135885.db2.gz VKGCKPRUSOLPRA-QGZVFWFLSA-N 1 3 304.482 2.973 20 0 DFADHO c1ccc(CN2CCC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336704695 316299740 /nfs/dbraw/zinc/29/97/40/316299740.db2.gz GUKZXMNAOKSLIG-AABGKKOBSA-N 1 3 313.489 2.867 20 0 DFADHO c1ccc(CN2CCC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336704695 316299747 /nfs/dbraw/zinc/29/97/47/316299747.db2.gz GUKZXMNAOKSLIG-AABGKKOBSA-N 1 3 313.489 2.867 20 0 DFADHO COCC1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000414510230 316615647 /nfs/dbraw/zinc/61/56/47/316615647.db2.gz HQNNYMZSUCSNRM-UHFFFAOYSA-N 1 3 303.450 2.845 20 0 DFADHO C[C@H](C[NH3+])c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000414629024 316636244 /nfs/dbraw/zinc/63/62/44/316636244.db2.gz TTXPNKPSVWROAH-CYBMUJFWSA-N 1 3 300.406 2.785 20 0 DFADHO CCOc1c(Cl)cc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000414789859 316658345 /nfs/dbraw/zinc/65/83/45/316658345.db2.gz FXKYUABOJBKFJS-GXTWGEPZSA-N 1 3 312.841 2.964 20 0 DFADHO CCc1ccccc1[C@@H](N)CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423935825 316782518 /nfs/dbraw/zinc/78/25/18/316782518.db2.gz BLXRTXDKWSJMRU-ACJLOTCBSA-N 1 3 311.429 2.699 20 0 DFADHO Cc1cc(NC[C@@H](C)[NH+](C)C)c2cc(OC(F)F)ccc2n1 ZINC000443424678 316956171 /nfs/dbraw/zinc/95/61/71/316956171.db2.gz VXSMOOXSZOSVQB-LLVKDONJSA-N 1 3 309.360 2.929 20 0 DFADHO CN(CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)Cc1ccccc1 ZINC000450499284 317099874 /nfs/dbraw/zinc/09/98/74/317099874.db2.gz IYQPYLPEAQIUTK-RBUKOAKNSA-N 1 3 301.478 2.535 20 0 DFADHO CN(CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)Cc1ccccc1 ZINC000450499284 317099876 /nfs/dbraw/zinc/09/98/76/317099876.db2.gz IYQPYLPEAQIUTK-RBUKOAKNSA-N 1 3 301.478 2.535 20 0 DFADHO COC[C@H]1CCCCN1C[C@H](C)C[N@@H+]1CCCC[C@H]1COC ZINC000452039432 317120961 /nfs/dbraw/zinc/12/09/61/317120961.db2.gz OHOUKGXWKPBOSQ-BCDXTJNWSA-N 1 3 312.498 2.624 20 0 DFADHO COC[C@H]1CCCCN1C[C@H](C)C[N@H+]1CCCC[C@H]1COC ZINC000452039432 317120964 /nfs/dbraw/zinc/12/09/64/317120964.db2.gz OHOUKGXWKPBOSQ-BCDXTJNWSA-N 1 3 312.498 2.624 20 0 DFADHO COC[C@H]1CCCC[N@H+]1C[C@H](C)CN1CCCC[C@H]1COC ZINC000452039432 317120967 /nfs/dbraw/zinc/12/09/67/317120967.db2.gz OHOUKGXWKPBOSQ-BCDXTJNWSA-N 1 3 312.498 2.624 20 0 DFADHO COC[C@H]1CCCC[N@@H+]1C[C@H](C)CN1CCCC[C@H]1COC ZINC000452039432 317120971 /nfs/dbraw/zinc/12/09/71/317120971.db2.gz OHOUKGXWKPBOSQ-BCDXTJNWSA-N 1 3 312.498 2.624 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)[C@H]1CC1(C)C ZINC000487556793 317347257 /nfs/dbraw/zinc/34/72/57/317347257.db2.gz IPPSDIFOWBKYGJ-BMGDILEWSA-N 1 3 302.462 2.777 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488411489 317391105 /nfs/dbraw/zinc/39/11/05/317391105.db2.gz AIPXHMNPSOIEPT-HOTGVXAUSA-N 1 3 313.555 2.522 20 0 DFADHO CC(C)N1CCC(O)(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488434514 317392562 /nfs/dbraw/zinc/39/25/62/317392562.db2.gz PIJXNBPFXXIQFC-HUUCEWRRSA-N 1 3 314.539 2.732 20 0 DFADHO c1ccc2c(c1)cccc2CCCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489823105 317493308 /nfs/dbraw/zinc/49/33/08/317493308.db2.gz FMDMCRLDWPZXRM-HXUWFJFHSA-N 1 3 323.484 2.752 20 0 DFADHO CCC[C@H](N)C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000518369877 317711569 /nfs/dbraw/zinc/71/15/69/317711569.db2.gz CYHMQSRESJJANS-NJAFHUGGSA-N 1 3 319.493 2.996 20 0 DFADHO CO[C@H](CN1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000530222411 317776605 /nfs/dbraw/zinc/77/66/05/317776605.db2.gz MVLUISZRAXJUME-ZWKOTPCHSA-N 1 3 306.425 2.977 20 0 DFADHO COc1ccc(C)cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241019 317777937 /nfs/dbraw/zinc/77/79/37/317777937.db2.gz OYYGOFSAMPGWLL-SFHVURJKSA-N 1 3 318.461 2.594 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000566480987 317951608 /nfs/dbraw/zinc/95/16/08/317951608.db2.gz DFJKWDIQZIMMFP-MJGOQNOKSA-N 1 3 317.477 2.573 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)NCc1ccc(C[NH3+])cc1 ZINC000575312624 318072653 /nfs/dbraw/zinc/07/26/53/318072653.db2.gz YQVLPOOCZQDZFL-ZDUSSCGKSA-N 1 3 315.392 2.791 20 0 DFADHO CCc1nccn1[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000575755537 318081751 /nfs/dbraw/zinc/08/17/51/318081751.db2.gz SHLAQFBUVHXMOB-LJQANCHMSA-N 1 3 324.472 2.928 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@H](N)C2)cc1OC ZINC000575761852 318081971 /nfs/dbraw/zinc/08/19/71/318081971.db2.gz FUMFHMWBJUZGFM-BPUTZDHNSA-N 1 3 306.450 2.742 20 0 DFADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000575861595 318087950 /nfs/dbraw/zinc/08/79/50/318087950.db2.gz BYAJYVMIEGDXAY-OKZBNKHCSA-N 1 3 320.477 2.506 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCNc2cccc(Br)c2)C1 ZINC000576767685 318149297 /nfs/dbraw/zinc/14/92/97/318149297.db2.gz OYSGSIVWGXFZQP-JSGCOSHPSA-N 1 3 312.255 2.721 20 0 DFADHO O=C([C@@H]1CCCCC[NH2+]1)N1CCCN(CC2CCCCC2)CC1 ZINC000576877738 318156485 /nfs/dbraw/zinc/15/64/85/318156485.db2.gz IJJNWOMCZPZAJL-SFHVURJKSA-N 1 3 321.509 2.633 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCNc2ncc(Cl)cc2Cl)C1 ZINC000577887673 318224798 /nfs/dbraw/zinc/22/47/98/318224798.db2.gz ZLASPEKEQUPWKO-MNOVXSKESA-N 1 3 303.237 2.660 20 0 DFADHO COC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000578637797 318274678 /nfs/dbraw/zinc/27/46/78/318274678.db2.gz ISNCIYCNNQUYBB-RYRKJORJSA-N 1 3 304.434 2.503 20 0 DFADHO COC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000578637798 318274740 /nfs/dbraw/zinc/27/47/40/318274740.db2.gz ISNCIYCNNQUYBB-SOLBZPMBSA-N 1 3 304.434 2.503 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCc3cn[nH]c3)C2)s1 ZINC000579014937 318302455 /nfs/dbraw/zinc/30/24/55/318302455.db2.gz YCLFSHIWEKFWDO-MRXNPFEDSA-N 1 3 318.490 2.776 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCc3cn[nH]c3)C2)s1 ZINC000579014937 318302458 /nfs/dbraw/zinc/30/24/58/318302458.db2.gz YCLFSHIWEKFWDO-MRXNPFEDSA-N 1 3 318.490 2.776 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(OCC(F)(F)F)nc1 ZINC000579225114 318315358 /nfs/dbraw/zinc/31/53/58/318315358.db2.gz DWTKZNGDHFFCHI-QWHCGFSZSA-N 1 3 317.355 2.630 20 0 DFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000387585917 323326160 /nfs/dbraw/zinc/32/61/60/323326160.db2.gz RCNXBVIFPCGAGB-QGZVFWFLSA-N 1 3 319.493 2.601 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1CN ZINC000389787630 323337351 /nfs/dbraw/zinc/33/73/51/323337351.db2.gz NBHPZSXGXOVXFL-BVBHFADKSA-N 1 3 301.478 2.614 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CN ZINC000389787634 323337583 /nfs/dbraw/zinc/33/75/83/323337583.db2.gz NBHPZSXGXOVXFL-YSHGAJCASA-N 1 3 301.478 2.614 20 0 DFADHO COc1cncc(/C=C/CC[N@@H+]2CC[C@@H](CN3CCCC3)C2)c1 ZINC000580307323 323367600 /nfs/dbraw/zinc/36/76/00/323367600.db2.gz MOSPNLWSCWNLNH-VBAWXRRRSA-N 1 3 315.461 2.911 20 0 DFADHO COc1cncc(/C=C/CC[N@H+]2CC[C@@H](CN3CCCC3)C2)c1 ZINC000580307323 323367602 /nfs/dbraw/zinc/36/76/02/323367602.db2.gz MOSPNLWSCWNLNH-VBAWXRRRSA-N 1 3 315.461 2.911 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2cccn2)c(F)c1 ZINC000581021996 323465727 /nfs/dbraw/zinc/46/57/27/323465727.db2.gz HQYTTWMWEUWPNH-NWANDNLSSA-N 1 3 302.397 2.932 20 0 DFADHO CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1ccncc1OCCN(C)C ZINC000581630789 323552238 /nfs/dbraw/zinc/55/22/38/323552238.db2.gz CXNNXYLDUNUGOZ-IAGOWNOFSA-N 1 3 305.466 2.936 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@H](C)O ZINC000584286794 332213745 /nfs/dbraw/zinc/21/37/45/332213745.db2.gz IAHDGAMUCICTCG-KGLIPLIRSA-N 1 3 310.869 2.911 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000584564546 337363151 /nfs/dbraw/zinc/36/31/51/337363151.db2.gz GZGJKQAVCRMTNI-SFHVURJKSA-N 1 3 321.896 2.945 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000332658377 534174601 /nfs/dbraw/zinc/17/46/01/534174601.db2.gz NECWOUOKWZYEJV-KRWDZBQOSA-N 1 3 316.449 2.546 20 0 DFADHO C[C@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCC[C@H]1O ZINC000297322971 534176334 /nfs/dbraw/zinc/17/63/34/534176334.db2.gz CKQGJRRFLNAALX-QZTJIDSGSA-N 1 3 303.450 2.581 20 0 DFADHO C/C(=C\c1ccccc1)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000364205475 518447177 /nfs/dbraw/zinc/44/71/77/518447177.db2.gz GZYCRFJZRMVDEL-FLXZHSAZSA-N 1 3 313.489 2.848 20 0 DFADHO CC(C)OCCN(C)[C@@H]1CCC[N@H+](CCOC(C)C)CC1 ZINC000156945196 519765280 /nfs/dbraw/zinc/76/52/80/519765280.db2.gz UUHYLGNYUVUMNS-QGZVFWFLSA-N 1 3 300.487 2.623 20 0 DFADHO CC(C)OCCN(C)[C@@H]1CCC[N@@H+](CCOC(C)C)CC1 ZINC000156945196 519765281 /nfs/dbraw/zinc/76/52/81/519765281.db2.gz UUHYLGNYUVUMNS-QGZVFWFLSA-N 1 3 300.487 2.623 20 0 DFADHO CN1CCC[C@H](CNC(=O)C(C)(C)[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000364848543 523839401 /nfs/dbraw/zinc/83/94/01/523839401.db2.gz ALWZTTYUDIOLHL-HIFRSBDPSA-N 1 3 323.868 2.576 20 0 DFADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309886330 527893087 /nfs/dbraw/zinc/89/30/87/527893087.db2.gz LGPLEXWDAXCVNF-PKOBYXMFSA-N 1 3 317.477 2.532 20 0 DFADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309886330 527893093 /nfs/dbraw/zinc/89/30/93/527893093.db2.gz LGPLEXWDAXCVNF-PKOBYXMFSA-N 1 3 317.477 2.532 20 0 DFADHO CC[C@@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C(C)(C)O ZINC000294859700 529206046 /nfs/dbraw/zinc/20/60/46/529206046.db2.gz BWTVXMYVFJFYOZ-RHSMWYFYSA-N 1 3 308.466 2.827 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000362681460 535176517 /nfs/dbraw/zinc/17/65/17/535176517.db2.gz POAASIAHSQYTRV-MRXNPFEDSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000362681460 535176522 /nfs/dbraw/zinc/17/65/22/535176522.db2.gz POAASIAHSQYTRV-MRXNPFEDSA-N 1 3 317.477 2.598 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175110444 535216795 /nfs/dbraw/zinc/21/67/95/535216795.db2.gz LBIIVVSHEBGOHO-INIZCTEOSA-N 1 3 311.514 2.686 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175110444 535216803 /nfs/dbraw/zinc/21/68/03/535216803.db2.gz LBIIVVSHEBGOHO-INIZCTEOSA-N 1 3 311.514 2.686 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)Nc1cnc2c(c1)CNCC2 ZINC000362020969 535324171 /nfs/dbraw/zinc/32/41/71/535324171.db2.gz JEZLPPBEUASAFF-UHFFFAOYSA-N 1 3 318.465 2.568 20 0 DFADHO CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000262703054 535528391 /nfs/dbraw/zinc/52/83/91/535528391.db2.gz KAMRAWQFXWLZSZ-WMLDXEAASA-N 1 3 323.506 2.594 20 0 DFADHO CCOC(=O)CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245455999 535646817 /nfs/dbraw/zinc/64/68/17/535646817.db2.gz SWKCTRSRFGAUIX-FUHWJXTLSA-N 1 3 318.461 2.925 20 0 DFADHO CCOC(=O)CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245455999 535646825 /nfs/dbraw/zinc/64/68/25/535646825.db2.gz SWKCTRSRFGAUIX-FUHWJXTLSA-N 1 3 318.461 2.925 20 0 DFADHO CCC[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000361163184 535703108 /nfs/dbraw/zinc/70/31/08/535703108.db2.gz JHBHSODZJZERCE-MSOLQXFVSA-N 1 3 317.477 2.705 20 0 DFADHO CCC[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000361163184 535703112 /nfs/dbraw/zinc/70/31/12/535703112.db2.gz JHBHSODZJZERCE-MSOLQXFVSA-N 1 3 317.477 2.705 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@H]3CC34CC[NH2+]CC4)n2)cc1 ZINC000261619028 535994371 /nfs/dbraw/zinc/99/43/71/535994371.db2.gz BQLZNKFHMZAXOD-OAHLLOKOSA-N 1 3 312.417 2.655 20 0 DFADHO C[NH2+][C@@H](C)Cc1noc([C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000261773195 536350176 /nfs/dbraw/zinc/35/01/76/536350176.db2.gz NINLKSZHESULEN-HOCLYGCPSA-N 1 3 314.433 2.600 20 0 DFADHO Cn1ccc(CCNCC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000354649514 536480442 /nfs/dbraw/zinc/48/04/42/536480442.db2.gz WHSBINFBRKOZCU-UHFFFAOYSA-N 1 3 314.477 2.710 20 0 DFADHO Cn1ccc(CCNCC(C)(C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000354649514 536480444 /nfs/dbraw/zinc/48/04/44/536480444.db2.gz WHSBINFBRKOZCU-UHFFFAOYSA-N 1 3 314.477 2.710 20 0 DFADHO COc1cc(C)c(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000262065364 536573147 /nfs/dbraw/zinc/57/31/47/536573147.db2.gz FLHYNFFXVFSACV-CWRNSKLLSA-N 1 3 304.434 2.571 20 0 DFADHO COc1ccccc1OCCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261828042 537094044 /nfs/dbraw/zinc/09/40/44/537094044.db2.gz BDKFFCUOIFKKNP-INIZCTEOSA-N 1 3 304.434 2.538 20 0 DFADHO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000682409242 545842064 /nfs/dbraw/zinc/84/20/64/545842064.db2.gz LHLOGZZIFDUEET-GPMSIDNRSA-N 1 3 320.477 2.608 20 0 DFADHO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000682409242 545842069 /nfs/dbraw/zinc/84/20/69/545842069.db2.gz LHLOGZZIFDUEET-GPMSIDNRSA-N 1 3 320.477 2.608 20 0 DFADHO C[C@@H]1CSCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000683109966 545973525 /nfs/dbraw/zinc/97/35/25/545973525.db2.gz VJPBEZNBOVDXOJ-HNNXBMFYSA-N 1 3 308.491 2.812 20 0 DFADHO C[C@@H]1CSCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000683109966 545973528 /nfs/dbraw/zinc/97/35/28/545973528.db2.gz VJPBEZNBOVDXOJ-HNNXBMFYSA-N 1 3 308.491 2.812 20 0 DFADHO C[C@H](CO)[N@@H+](Cc1ccc(OCCN(C)C)cc1)CC1CCC1 ZINC000685431601 546348482 /nfs/dbraw/zinc/34/84/82/546348482.db2.gz YMXIMPZMZVMZDQ-MRXNPFEDSA-N 1 3 320.477 2.610 20 0 DFADHO C[C@H](CO)[N@H+](Cc1ccc(OCCN(C)C)cc1)CC1CCC1 ZINC000685431601 546348486 /nfs/dbraw/zinc/34/84/86/546348486.db2.gz YMXIMPZMZVMZDQ-MRXNPFEDSA-N 1 3 320.477 2.610 20 0 DFADHO COc1ccc(CNCC2CC[NH+](C3CC3)CC2)c(OC)c1 ZINC000278480089 214180383 /nfs/dbraw/zinc/18/03/83/214180383.db2.gz JDJZTQROJQMWPP-UHFFFAOYSA-N 1 3 304.434 2.668 20 0 DFADHO CCN(CC)[C@H](C)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000078880633 185121930 /nfs/dbraw/zinc/12/19/30/185121930.db2.gz VDNVYBCNGGOJNP-QGZVFWFLSA-N 1 3 303.494 2.971 20 0 DFADHO C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N(C)C ZINC000278624039 214283723 /nfs/dbraw/zinc/28/37/23/214283723.db2.gz GLBOTTQYLKHEDJ-OQIJWPOYSA-N 1 3 301.478 2.722 20 0 DFADHO Cc1cc(C)n(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)n1 ZINC000318487779 231169302 /nfs/dbraw/zinc/16/93/02/231169302.db2.gz ROCAYGCNXKYRRW-FGTMMUONSA-N 1 3 304.482 2.790 20 0 DFADHO CC(C)OC1CC([NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000459331133 299082496 /nfs/dbraw/zinc/08/24/96/299082496.db2.gz URXYQSCUGRDUGB-CCZBSFLLSA-N 1 3 324.509 2.764 20 0 DFADHO COc1cccc([C@@H](CNC2CC[NH+](C(C)C)CC2)N(C)C)c1 ZINC000237308861 398369506 /nfs/dbraw/zinc/36/95/06/398369506.db2.gz OKGNWKCVEUYASD-LJQANCHMSA-N 1 3 319.493 2.760 20 0 DFADHO COc1cccc([C@@H](C[NH2+]C2CCN(C(C)C)CC2)N(C)C)c1 ZINC000237308861 398369507 /nfs/dbraw/zinc/36/95/07/398369507.db2.gz OKGNWKCVEUYASD-LJQANCHMSA-N 1 3 319.493 2.760 20 0 DFADHO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038840 185279146 /nfs/dbraw/zinc/27/91/46/185279146.db2.gz WNXWYJGKHKPEDM-YJBOKZPZSA-N 1 3 317.477 2.646 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC1CCC(F)(F)CC1 ZINC000459374806 299090135 /nfs/dbraw/zinc/09/01/35/299090135.db2.gz YHLRFVXPAHAKET-OWCLPIDISA-N 1 3 316.436 2.995 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000584714328 398401440 /nfs/dbraw/zinc/40/14/40/398401440.db2.gz ISTWSXUFQYFEQO-CXAGYDPISA-N 1 3 302.466 2.516 20 0 DFADHO COC(=O)c1ccccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592491670 398433765 /nfs/dbraw/zinc/43/37/65/398433765.db2.gz GLJQQDWOIMKBIT-CVEARBPZSA-N 1 3 316.445 2.685 20 0 DFADHO CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CCOCC1 ZINC000459447241 299108469 /nfs/dbraw/zinc/10/84/69/299108469.db2.gz UKVXFAZRFSNVDR-SFHVURJKSA-N 1 3 303.450 2.845 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCc1nc(-c2ccccn2)cs1 ZINC000090044350 398474427 /nfs/dbraw/zinc/47/44/27/398474427.db2.gz PYIWJSCQHPEAFU-KBPBESRZSA-N 1 3 316.474 2.677 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCc1nc(-c2ccccn2)cs1 ZINC000090044350 398474429 /nfs/dbraw/zinc/47/44/29/398474429.db2.gz PYIWJSCQHPEAFU-KBPBESRZSA-N 1 3 316.474 2.677 20 0 DFADHO c1[nH]nc2c1C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC000090455193 398487278 /nfs/dbraw/zinc/48/72/78/398487278.db2.gz MMJLDLCLEMQWQE-INIZCTEOSA-N 1 3 302.466 2.654 20 0 DFADHO c1[nH]nc2c1C[C@@H](NC1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000090455193 398487282 /nfs/dbraw/zinc/48/72/82/398487282.db2.gz MMJLDLCLEMQWQE-INIZCTEOSA-N 1 3 302.466 2.654 20 0 DFADHO c1[nH]nc2c1C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC000090455194 398487329 /nfs/dbraw/zinc/48/73/29/398487329.db2.gz MMJLDLCLEMQWQE-MRXNPFEDSA-N 1 3 302.466 2.654 20 0 DFADHO c1[nH]nc2c1C[C@H](NC1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000090455194 398487331 /nfs/dbraw/zinc/48/73/31/398487331.db2.gz MMJLDLCLEMQWQE-MRXNPFEDSA-N 1 3 302.466 2.654 20 0 DFADHO COCCCOc1cccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000090718706 398491939 /nfs/dbraw/zinc/49/19/39/398491939.db2.gz HVPFQBWEKOSUAF-YJBOKZPZSA-N 1 3 306.450 2.532 20 0 DFADHO COCCCOc1cccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000090718706 398491941 /nfs/dbraw/zinc/49/19/41/398491941.db2.gz HVPFQBWEKOSUAF-YJBOKZPZSA-N 1 3 306.450 2.532 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCOCc2cccc(OC)c2)[C@H](C)C1 ZINC000090806495 398493008 /nfs/dbraw/zinc/49/30/08/398493008.db2.gz ZOEFIKPFZWHDSI-QAPCUYQASA-N 1 3 306.450 2.532 20 0 DFADHO CC[N@H+]1CC[C@H](NCCOCc2cccc(OC)c2)[C@H](C)C1 ZINC000090806495 398493012 /nfs/dbraw/zinc/49/30/12/398493012.db2.gz ZOEFIKPFZWHDSI-QAPCUYQASA-N 1 3 306.450 2.532 20 0 DFADHO COc1cccc(COCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000090806937 398492691 /nfs/dbraw/zinc/49/26/91/398492691.db2.gz GYKHDYOKWPZLTJ-RVKKMQEKSA-N 1 3 306.450 2.530 20 0 DFADHO COc1cccc(COCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090806937 398492693 /nfs/dbraw/zinc/49/26/93/398492693.db2.gz GYKHDYOKWPZLTJ-RVKKMQEKSA-N 1 3 306.450 2.530 20 0 DFADHO C[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000272705142 210108795 /nfs/dbraw/zinc/10/87/95/210108795.db2.gz UAYMNQAZOVREFG-OQIJWPOYSA-N 1 3 302.462 2.648 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000068450078 398504621 /nfs/dbraw/zinc/50/46/21/398504621.db2.gz CSDWFHTZNRTISF-SFHVURJKSA-N 1 3 323.525 2.878 20 0 DFADHO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](CCCN2CCCCC2)C1 ZINC000459558893 299132809 /nfs/dbraw/zinc/13/28/09/299132809.db2.gz JYUOSUYNOVGTIO-GOSISDBHSA-N 1 3 310.482 2.916 20 0 DFADHO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](CCCN2CCCCC2)C1 ZINC000459558893 299132814 /nfs/dbraw/zinc/13/28/14/299132814.db2.gz JYUOSUYNOVGTIO-GOSISDBHSA-N 1 3 310.482 2.916 20 0 DFADHO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000272612509 210014236 /nfs/dbraw/zinc/01/42/36/210014236.db2.gz WOBKMHWOVIVDIS-UHZRXMQZSA-N 1 3 314.473 2.790 20 0 DFADHO C[NH+]1CCC(C)(CNCc2cnc3ccc(Cl)cn23)CC1 ZINC000272605886 210004076 /nfs/dbraw/zinc/00/40/76/210004076.db2.gz SWGLXRQKYLLBOQ-UHFFFAOYSA-N 1 3 306.841 2.809 20 0 DFADHO COC(=O)c1ccc(CNCCCCC[NH+]2CCCC2)cc1F ZINC000597135157 398573063 /nfs/dbraw/zinc/57/30/63/398573063.db2.gz HNDFDGJZZNPSEJ-UHFFFAOYSA-N 1 3 322.424 2.968 20 0 DFADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCc3cn(C)cn3)CC2)C1 ZINC000459662797 299158621 /nfs/dbraw/zinc/15/86/21/299158621.db2.gz ODIWQGSVASGSSN-YJBOKZPZSA-N 1 3 304.482 2.595 20 0 DFADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCc3cn(C)cn3)CC2)C1 ZINC000459662797 299158626 /nfs/dbraw/zinc/15/86/26/299158626.db2.gz ODIWQGSVASGSSN-YJBOKZPZSA-N 1 3 304.482 2.595 20 0 DFADHO CS[C@@H]1CC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000597193103 398586360 /nfs/dbraw/zinc/58/63/60/398586360.db2.gz VDHMPIMYUOSHSA-IAGOWNOFSA-N 1 3 305.491 2.777 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)[C@@H]1SC ZINC000597257793 398609224 /nfs/dbraw/zinc/60/92/24/398609224.db2.gz WIEGFJVCRHDQRD-TWMKSMIVSA-N 1 3 312.523 2.607 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)[C@@H]1SC ZINC000597257793 398609229 /nfs/dbraw/zinc/60/92/29/398609229.db2.gz WIEGFJVCRHDQRD-TWMKSMIVSA-N 1 3 312.523 2.607 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)[C@@H]1SC ZINC000597257793 398609234 /nfs/dbraw/zinc/60/92/34/398609234.db2.gz WIEGFJVCRHDQRD-TWMKSMIVSA-N 1 3 312.523 2.607 20 0 DFADHO CC(C)n1ncc2cc(C[N@H+](C)C[C@H]3CCCN(C)C3)cnc21 ZINC000152493612 186079118 /nfs/dbraw/zinc/07/91/18/186079118.db2.gz WOXQHKQQAXYUQS-HNNXBMFYSA-N 1 3 315.465 2.786 20 0 DFADHO CC(C)n1ncc2cc(C[N@@H+](C)C[C@H]3CCCN(C)C3)cnc21 ZINC000152493612 186079120 /nfs/dbraw/zinc/07/91/20/186079120.db2.gz WOXQHKQQAXYUQS-HNNXBMFYSA-N 1 3 315.465 2.786 20 0 DFADHO CN(CCCO)C1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000093394989 398635396 /nfs/dbraw/zinc/63/53/96/398635396.db2.gz RYFGDTUHFMUVNI-PKOBYXMFSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)c(F)c1 ZINC000173313461 186175497 /nfs/dbraw/zinc/17/54/97/186175497.db2.gz JJELSNJKPAPJEP-CYBMUJFWSA-N 1 3 311.420 2.641 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173319227 186176248 /nfs/dbraw/zinc/17/62/48/186176248.db2.gz PKKSYEURFWHIOV-CQSZACIVSA-N 1 3 311.420 2.643 20 0 DFADHO CC[NH+]1CCC(CNCc2c(C)nc3sc(C)cn23)CC1 ZINC000044517716 398646843 /nfs/dbraw/zinc/64/68/43/398646843.db2.gz CABHRICNYRVVLI-UHFFFAOYSA-N 1 3 306.479 2.834 20 0 DFADHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)ccc1C ZINC000194267983 186274923 /nfs/dbraw/zinc/27/49/23/186274923.db2.gz UGFZDEHGIABEMH-IAGOWNOFSA-N 1 3 320.477 2.983 20 0 DFADHO C[C@H]1C[C@H](CN2CCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414677339 295814905 /nfs/dbraw/zinc/81/49/05/295814905.db2.gz IZARNXULWRBIKM-DOTOQJQBSA-N 1 3 321.896 2.846 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CCCNC1 ZINC000414837030 295824320 /nfs/dbraw/zinc/82/43/20/295824320.db2.gz VJFQMBFDMAVLAU-HZPDHXFCSA-N 1 3 306.450 2.614 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NCC[C@H]2CCC[NH2+]2)c1C ZINC000414904440 295832710 /nfs/dbraw/zinc/83/27/10/295832710.db2.gz LJPBWAXQEOGZTF-GOEBONIOSA-N 1 3 303.450 2.752 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000414916206 295834484 /nfs/dbraw/zinc/83/44/84/295834484.db2.gz PBBSHMQEFPIHHK-CHWSQXEVSA-N 1 3 309.841 2.565 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H]1CC[NH2+]C1 ZINC000414917019 295834613 /nfs/dbraw/zinc/83/46/13/295834613.db2.gz QUVCRQNXZVSAIC-QWHCGFSZSA-N 1 3 309.841 2.565 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(OCC(F)(F)F)cc2)C1 ZINC000414925806 295836132 /nfs/dbraw/zinc/83/61/32/295836132.db2.gz MICHQUJYEBAMEH-OLZOCXBDSA-N 1 3 302.340 2.987 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](CNCc2ncc(Br)s2)C1 ZINC000415013228 295847487 /nfs/dbraw/zinc/84/74/87/295847487.db2.gz YEWDTQAKFPFVIK-BDAKNGLRSA-N 1 3 304.257 2.513 20 0 DFADHO [NH3+]CCC[C@H](NCc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000415062121 295853571 /nfs/dbraw/zinc/85/35/71/295853571.db2.gz ZSHCZXRZTWSZHH-IBGZPJMESA-N 1 3 321.428 2.837 20 0 DFADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCCc1nccn1Cc1ccccc1 ZINC000415085585 295856232 /nfs/dbraw/zinc/85/62/32/295856232.db2.gz QWGRYOUQSZTCPX-FUHWJXTLSA-N 1 3 312.461 2.594 20 0 DFADHO C[C@@H](NCCCc1nc(-c2ccncc2)cs1)[C@H]1CC[NH2+]C1 ZINC000415084387 295855934 /nfs/dbraw/zinc/85/59/34/295855934.db2.gz PAXNCELXSJYALV-HIFRSBDPSA-N 1 3 316.474 2.725 20 0 DFADHO C[C@@H](NC1CCN(Cc2ccc(F)c(F)c2)CC1)[C@@H]1CC[NH2+]C1 ZINC000415096323 295857324 /nfs/dbraw/zinc/85/73/24/295857324.db2.gz BCUKMLXXQQMNFW-UKRRQHHQSA-N 1 3 323.431 2.517 20 0 DFADHO CCN1CCN(c2cccc(N[C@H](C)C[C@H]3CCC[NH2+]3)c2)CC1 ZINC000415101839 295858105 /nfs/dbraw/zinc/85/81/05/295858105.db2.gz IJGPZNXGFNNEFW-IAGOWNOFSA-N 1 3 316.493 2.771 20 0 DFADHO C[C@H]1CCC[C@@H]1[NH2+]CC1(N)CCN(Cc2ccccc2)CC1 ZINC000415132675 295862812 /nfs/dbraw/zinc/86/28/12/295862812.db2.gz LLJRFMBBQOWAJS-WMZOPIPTSA-N 1 3 301.478 2.758 20 0 DFADHO CC[C@H]1CCCCN1CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460199394 299211226 /nfs/dbraw/zinc/21/12/26/299211226.db2.gz CFYUHUKYIMXPHH-KRWDZBQOSA-N 1 3 323.525 2.879 20 0 DFADHO CN(C)[C@H]1CCC[N@H+](CCc2nc3ccccc3n2C)CC1 ZINC000277050562 213264506 /nfs/dbraw/zinc/26/45/06/213264506.db2.gz CJKRCCCROPCUKT-HNNXBMFYSA-N 1 3 300.450 2.532 20 0 DFADHO CN(C)[C@H]1CCC[N@@H+](CCc2nc3ccccc3n2C)CC1 ZINC000277050562 213264509 /nfs/dbraw/zinc/26/45/09/213264509.db2.gz CJKRCCCROPCUKT-HNNXBMFYSA-N 1 3 300.450 2.532 20 0 DFADHO CC(C)[NH+](CCNC(=O)[C@@H](C)[C@H](N)c1ccccc1)C(C)C ZINC000236783248 202005979 /nfs/dbraw/zinc/00/59/79/202005979.db2.gz PNXHWDZZSKHQSK-RDJZCZTQSA-N 1 3 305.466 2.558 20 0 DFADHO C[NH2+]Cc1ccc(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1 ZINC000415984162 295908525 /nfs/dbraw/zinc/90/85/25/295908525.db2.gz OXRYEVOEMWOFQQ-CQSZACIVSA-N 1 3 318.465 2.600 20 0 DFADHO CC(C)[NH+](CCN(C)C(=O)Nc1ccc2c(c1)CNC2)C(C)C ZINC000416004663 295911134 /nfs/dbraw/zinc/91/11/34/295911134.db2.gz HBRAGEQSLHVMKV-UHFFFAOYSA-N 1 3 318.465 2.872 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@@H](N[C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000591578220 398773221 /nfs/dbraw/zinc/77/32/21/398773221.db2.gz AHBNMQMOCIFTSL-ZTFGCOKTSA-N 1 3 316.445 2.900 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000236832277 202029733 /nfs/dbraw/zinc/02/97/33/202029733.db2.gz HCFHWTFCBDXETO-HKUYNNGSSA-N 1 3 317.477 2.575 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000236837239 202032893 /nfs/dbraw/zinc/03/28/93/202032893.db2.gz LFGSEQVVCJIWGC-HKUYNNGSSA-N 1 3 317.477 2.718 20 0 DFADHO CCN(CC)[C@H](CNC(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000236874698 202046387 /nfs/dbraw/zinc/04/63/87/202046387.db2.gz LCOTZJQWPCKKKE-GOSISDBHSA-N 1 3 317.477 2.575 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000236886734 202053239 /nfs/dbraw/zinc/05/32/39/202053239.db2.gz LFGSEQVVCJIWGC-MJGOQNOKSA-N 1 3 317.477 2.718 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]([NH3+])CC(C)C)c1ccsc1 ZINC000236879399 202050173 /nfs/dbraw/zinc/05/01/73/202050173.db2.gz OONBABNIHFNMSO-LSDHHAIUSA-N 1 3 311.495 2.621 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000236882981 202051090 /nfs/dbraw/zinc/05/10/90/202051090.db2.gz GQGFPDPCCJJBQK-SFHVURJKSA-N 1 3 317.477 2.662 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000236940815 202082855 /nfs/dbraw/zinc/08/28/55/202082855.db2.gz ZALVROPWCZQSRI-AEFFLSMTSA-N 1 3 319.493 2.910 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000236921647 202072611 /nfs/dbraw/zinc/07/26/11/202072611.db2.gz FJQIGXUFUHENTL-YOEHRIQHSA-N 1 3 321.465 2.719 20 0 DFADHO CCC[NH+]1CCC(NC[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC000121597941 398788315 /nfs/dbraw/zinc/78/83/15/398788315.db2.gz ROIMFJISJVMYIU-GOSISDBHSA-N 1 3 307.457 2.892 20 0 DFADHO CCCN1CCC([NH2+]C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC000121597941 398788317 /nfs/dbraw/zinc/78/83/17/398788317.db2.gz ROIMFJISJVMYIU-GOSISDBHSA-N 1 3 307.457 2.892 20 0 DFADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](N)Cc1ccccc1 ZINC000237051328 202136643 /nfs/dbraw/zinc/13/66/43/202136643.db2.gz YEJMXPZUXCFQSM-QGZVFWFLSA-N 1 3 311.429 2.565 20 0 DFADHO COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000125609217 398807876 /nfs/dbraw/zinc/80/78/76/398807876.db2.gz HZSUHYLYVNGATJ-MJGOQNOKSA-N 1 3 304.478 2.956 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+](C)CCOCCOc1ccccc1 ZINC000075860520 398825491 /nfs/dbraw/zinc/82/54/91/398825491.db2.gz DVXBURRLMFJWNV-SFHVURJKSA-N 1 3 320.477 2.888 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCOCCOc1ccccc1 ZINC000075860520 398825493 /nfs/dbraw/zinc/82/54/93/398825493.db2.gz DVXBURRLMFJWNV-SFHVURJKSA-N 1 3 320.477 2.888 20 0 DFADHO COC(=O)c1cc(CNC2CCC(C[NH+](C)C)CC2)c(C)o1 ZINC000594609153 398831162 /nfs/dbraw/zinc/83/11/62/398831162.db2.gz PPLYDPFTWIWAIC-UHFFFAOYSA-N 1 3 308.422 2.585 20 0 DFADHO COC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000180180672 199127803 /nfs/dbraw/zinc/12/78/03/199127803.db2.gz SAEUNOXVGQXAMS-HAGHYFMRSA-N 1 3 314.473 2.912 20 0 DFADHO COC(=O)c1cc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)oc1C ZINC000594734591 398851395 /nfs/dbraw/zinc/85/13/95/398851395.db2.gz BZOGQEPESOMPLM-OAHLLOKOSA-N 1 3 320.433 2.586 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000152951643 283346182 /nfs/dbraw/zinc/34/61/82/283346182.db2.gz GHSNASDCFISWEH-HOJAQTOUSA-N 1 3 315.505 2.971 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCN(C)CC1)[C@@H](C)C2 ZINC000180468026 199162730 /nfs/dbraw/zinc/16/27/30/199162730.db2.gz DXVBDXTYJKCFDY-FXAWDEMLSA-N 1 3 315.505 2.846 20 0 DFADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000594938441 398876869 /nfs/dbraw/zinc/87/68/69/398876869.db2.gz WDMFDGKIKWASSB-XLNGHYISSA-N 1 3 308.466 2.571 20 0 DFADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000594938441 398876873 /nfs/dbraw/zinc/87/68/73/398876873.db2.gz WDMFDGKIKWASSB-XLNGHYISSA-N 1 3 308.466 2.571 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000186405437 199953799 /nfs/dbraw/zinc/95/37/99/199953799.db2.gz BDANXNIRWTXYRR-IBGZPJMESA-N 1 3 316.493 2.549 20 0 DFADHO C[C@@H]([NH2+]CCN1CC=CCC1)c1ccc(OCCN(C)C)cc1 ZINC000280983264 216002587 /nfs/dbraw/zinc/00/25/87/216002587.db2.gz MFCBJRRUMXQUOF-QGZVFWFLSA-N 1 3 317.477 2.540 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000187766464 200153965 /nfs/dbraw/zinc/15/39/65/200153965.db2.gz QLPXVEYJBYTSER-KRWDZBQOSA-N 1 3 321.484 2.764 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000237535983 202274912 /nfs/dbraw/zinc/27/49/12/202274912.db2.gz QBZKOFXVRADQBS-SJLPKXTDSA-N 1 3 317.477 2.705 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000237535983 202274915 /nfs/dbraw/zinc/27/49/15/202274915.db2.gz QBZKOFXVRADQBS-SJLPKXTDSA-N 1 3 317.477 2.705 20 0 DFADHO CCN1CCC(NC(=O)C[N@@H+]2CCCCC[C@@H]2CC(C)C)CC1 ZINC000077657422 398916671 /nfs/dbraw/zinc/91/66/71/398916671.db2.gz OBDRRGUEISKDBL-GOSISDBHSA-N 1 3 323.525 2.878 20 0 DFADHO CCN1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2CC(C)C)CC1 ZINC000077657422 398916673 /nfs/dbraw/zinc/91/66/73/398916673.db2.gz OBDRRGUEISKDBL-GOSISDBHSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)[C@@H](N)c1ccccc1 ZINC000237608719 202302169 /nfs/dbraw/zinc/30/21/69/202302169.db2.gz YWOSDECRYGDDSU-CRAIPNDOSA-N 1 3 317.477 2.751 20 0 DFADHO N[C@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000237837495 202367676 /nfs/dbraw/zinc/36/76/76/202367676.db2.gz MNERGXUIQCEPTI-QZTJIDSGSA-N 1 3 315.461 2.553 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+]CCSC)CC1 ZINC000151329078 398925328 /nfs/dbraw/zinc/92/53/28/398925328.db2.gz XRHZVQRUOILYNA-UHFFFAOYSA-N 1 3 307.507 2.671 20 0 DFADHO CC(=O)NC1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000155192695 398945334 /nfs/dbraw/zinc/94/53/34/398945334.db2.gz UQHQZGYMDUKXHA-UHFFFAOYSA-N 1 3 321.509 2.820 20 0 DFADHO CCN1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000078670199 398978952 /nfs/dbraw/zinc/97/89/52/398978952.db2.gz ORTXJSSXCFUMMU-GOSISDBHSA-N 1 3 317.477 2.743 20 0 DFADHO C=Cn1cc(CN2CCC(CCC[N@@H+](C)CCOC)CC2)cn1 ZINC000194028450 201165567 /nfs/dbraw/zinc/16/55/67/201165567.db2.gz PUPPLWSSIIWQCK-UHFFFAOYSA-N 1 3 320.481 2.554 20 0 DFADHO C=Cn1cc(CN2CCC(CCC[N@H+](C)CCOC)CC2)cn1 ZINC000194028450 201165569 /nfs/dbraw/zinc/16/55/69/201165569.db2.gz PUPPLWSSIIWQCK-UHFFFAOYSA-N 1 3 320.481 2.554 20 0 DFADHO C[C@H](CC[NH2+]C1CCN(CCN(C)C)CC1)c1ccccc1 ZINC000194200441 201197850 /nfs/dbraw/zinc/19/78/50/201197850.db2.gz WCWYWPYXSLOEEO-QGZVFWFLSA-N 1 3 303.494 2.796 20 0 DFADHO CN[C@H](CC(C)(C)C)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000417850854 296058087 /nfs/dbraw/zinc/05/80/87/296058087.db2.gz XWDDOHMVPHNHGD-GFCCVEGCSA-N 1 3 324.494 2.573 20 0 DFADHO COc1cc(C)c([C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1OC ZINC000271829861 209249471 /nfs/dbraw/zinc/24/94/71/209249471.db2.gz DTRKFBLKQFZELN-CQSZACIVSA-N 1 3 304.434 2.925 20 0 DFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000621651887 399008846 /nfs/dbraw/zinc/00/88/46/399008846.db2.gz RUZKKJOCXJPQQL-KFWWJZLASA-N 1 3 318.465 2.551 20 0 DFADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000271811118 209235363 /nfs/dbraw/zinc/23/53/63/209235363.db2.gz AURPKFKTPVHZAA-MRXNPFEDSA-N 1 3 310.445 2.844 20 0 DFADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000271811118 209235359 /nfs/dbraw/zinc/23/53/59/209235359.db2.gz AURPKFKTPVHZAA-MRXNPFEDSA-N 1 3 310.445 2.844 20 0 DFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC([NH3+])(CC)CC)c1ccco1 ZINC000418158866 296080857 /nfs/dbraw/zinc/08/08/57/296080857.db2.gz BSNXJIPDKIKNNW-KGLIPLIRSA-N 1 3 324.469 2.526 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000271774139 209202763 /nfs/dbraw/zinc/20/27/63/209202763.db2.gz UTFTZWPJKUTBPL-MRXNPFEDSA-N 1 3 308.853 2.837 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000479445266 299377184 /nfs/dbraw/zinc/37/71/84/299377184.db2.gz KZBGKOCPPHPSEB-QGZVFWFLSA-N 1 3 305.466 2.531 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000479588920 299380760 /nfs/dbraw/zinc/38/07/60/299380760.db2.gz JYHRBUHXXUOYIM-IYBDPMFKSA-N 1 3 321.509 2.630 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccsc1 ZINC000261656876 203088748 /nfs/dbraw/zinc/08/87/48/203088748.db2.gz DWCQKOVCSFDXAR-NUEKZKHPSA-N 1 3 323.506 2.765 20 0 DFADHO CC[C@@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)N(CC)CC ZINC000261678863 203091840 /nfs/dbraw/zinc/09/18/40/203091840.db2.gz HDKMGTGICBKDRS-HNNXBMFYSA-N 1 3 307.413 2.530 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000261768910 203112997 /nfs/dbraw/zinc/11/29/97/203112997.db2.gz ODKLKVVEMSFVSE-DOTOQJQBSA-N 1 3 303.450 2.984 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000261775207 203115065 /nfs/dbraw/zinc/11/50/65/203115065.db2.gz OSHXDWIMYAJAKI-SJLPKXTDSA-N 1 3 315.461 2.986 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000261880083 203142361 /nfs/dbraw/zinc/14/23/61/203142361.db2.gz RTCPRLWFTZRQEM-HZPDHXFCSA-N 1 3 317.477 2.622 20 0 DFADHO CCN(CC)c1ncc(CN(C)CC2CC[NH+](C)CC2)s1 ZINC000093088587 193202555 /nfs/dbraw/zinc/20/25/55/193202555.db2.gz WPNQEMZMENLBRZ-UHFFFAOYSA-N 1 3 310.511 2.763 20 0 DFADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262101428 203200500 /nfs/dbraw/zinc/20/05/00/203200500.db2.gz DDLUMGJIEHVIOV-NXHRZFHOSA-N 1 3 317.477 2.529 20 0 DFADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262101428 203200503 /nfs/dbraw/zinc/20/05/03/203200503.db2.gz DDLUMGJIEHVIOV-NXHRZFHOSA-N 1 3 317.477 2.529 20 0 DFADHO CCC[C@](C)(N)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000262125857 203206117 /nfs/dbraw/zinc/20/61/17/203206117.db2.gz LJYFUZFZOJYLLJ-SFHVURJKSA-N 1 3 305.466 2.662 20 0 DFADHO CC(C)c1ccc([C@@H](N)CNC(=O)CCCCCC[NH3+])cc1 ZINC000262553235 203327896 /nfs/dbraw/zinc/32/78/96/203327896.db2.gz UCUAOSUVVHFBNF-KRWDZBQOSA-N 1 3 305.466 2.835 20 0 DFADHO CCC[C@@H](N)C(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000262623419 203353870 /nfs/dbraw/zinc/35/38/70/203353870.db2.gz ACSOXMDMPPCYFV-OAHLLOKOSA-N 1 3 311.495 2.546 20 0 DFADHO C[C@H](CNC(=O)[C@@H](C)[C@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262672915 203375604 /nfs/dbraw/zinc/37/56/04/203375604.db2.gz PHZASWRAAFILFU-CBZIJGRNSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H](CNC(=O)[C@@H](C)[C@H](N)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000262672915 203375607 /nfs/dbraw/zinc/37/56/07/203375607.db2.gz PHZASWRAAFILFU-CBZIJGRNSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cccn3C)CC2)C[C@H](C)O1 ZINC000093844460 193317553 /nfs/dbraw/zinc/31/75/53/193317553.db2.gz UXBLKRRZCKNXCH-CALCHBBNSA-N 1 3 319.493 2.736 20 0 DFADHO [NH3+]CCCOC1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000094071966 193343369 /nfs/dbraw/zinc/34/33/69/193343369.db2.gz GXDSJDQEBNMHOC-UHFFFAOYSA-N 1 3 312.841 2.549 20 0 DFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(Cl)cn2)CC1 ZINC000274914491 212030415 /nfs/dbraw/zinc/03/04/15/212030415.db2.gz NYTRVFCUDYDCRU-HUUCEWRRSA-N 1 3 324.900 2.659 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1(C)C ZINC000282443875 217000048 /nfs/dbraw/zinc/00/00/48/217000048.db2.gz SBNKORSFLRBVTM-RTBURBONSA-N 1 3 315.505 2.938 20 0 DFADHO Cc1cc(N2CC[C@@H](C[NH3+])C2)c2cc(OC(F)F)ccc2n1 ZINC000420166926 296160054 /nfs/dbraw/zinc/16/00/54/296160054.db2.gz IQUHKBOLOCFSJN-NSHDSACASA-N 1 3 307.344 2.930 20 0 DFADHO Cc1cc(NCC[C@@H]2CC[NH2+]C2)c2cc(OC(F)F)ccc2n1 ZINC000420184202 296161108 /nfs/dbraw/zinc/16/11/08/296161108.db2.gz ICNKZVOAFVSJFV-LBPRGKRZSA-N 1 3 321.371 2.978 20 0 DFADHO COc1cccc(C[C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000341194244 284247329 /nfs/dbraw/zinc/24/73/29/284247329.db2.gz SBJUDQJYZJYJNL-CYBMUJFWSA-N 1 3 305.466 2.920 20 0 DFADHO COc1cccc(C[C@@H](C)[NH2+]C2CC(C)(C)NC(C)(C)C2)n1 ZINC000341194244 284247331 /nfs/dbraw/zinc/24/73/31/284247331.db2.gz SBJUDQJYZJYJNL-CYBMUJFWSA-N 1 3 305.466 2.920 20 0 DFADHO CCOc1cc2nccc(N3CC[C@H]([NH3+])[C@H]3C)c2cc1OCC ZINC000420246801 296165314 /nfs/dbraw/zinc/16/53/14/296165314.db2.gz GHUUUZZDYQUENN-OCCSQVGLSA-N 1 3 315.417 2.958 20 0 DFADHO CCOc1cc2nccc(N3CC[C@@H]([NH3+])[C@H]3C)c2cc1OCC ZINC000420246803 296165519 /nfs/dbraw/zinc/16/55/19/296165519.db2.gz GHUUUZZDYQUENN-TZMCWYRMSA-N 1 3 315.417 2.958 20 0 DFADHO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c2cc(OC(F)F)ccc2n1 ZINC000420272772 296168078 /nfs/dbraw/zinc/16/80/78/296168078.db2.gz ITCKFDGELCMLHX-BZNIZROVSA-N 1 3 319.355 2.943 20 0 DFADHO Cc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)c2cc(OC(F)F)ccc2n1 ZINC000420278054 296168392 /nfs/dbraw/zinc/16/83/92/296168392.db2.gz NSESHMDCVVZBGP-NOZJJQNGSA-N 1 3 307.344 2.928 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccnc3ccccc32)CC1 ZINC000264824715 204184806 /nfs/dbraw/zinc/18/48/06/204184806.db2.gz YGLCLCMZYZNTLY-QGZVFWFLSA-N 1 3 324.472 2.841 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccnc3ccccc32)CC1 ZINC000264824715 204184808 /nfs/dbraw/zinc/18/48/08/204184808.db2.gz YGLCLCMZYZNTLY-QGZVFWFLSA-N 1 3 324.472 2.841 20 0 DFADHO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCN1CCNCC1 ZINC000420297149 296170789 /nfs/dbraw/zinc/17/07/89/296170789.db2.gz FOSMVSBBYXMNCG-OALUTQOASA-N 1 3 301.478 2.550 20 0 DFADHO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCN1CCNCC1 ZINC000420297149 296170791 /nfs/dbraw/zinc/17/07/91/296170791.db2.gz FOSMVSBBYXMNCG-OALUTQOASA-N 1 3 301.478 2.550 20 0 DFADHO CN(CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000420306657 296172431 /nfs/dbraw/zinc/17/24/31/296172431.db2.gz QUJCVHRCIQIOBC-FUHWJXTLSA-N 1 3 315.461 2.504 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000341696532 284276531 /nfs/dbraw/zinc/27/65/31/284276531.db2.gz RSDOOSKGOBXPNK-RHSMWYFYSA-N 1 3 303.450 2.665 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000341696532 284276533 /nfs/dbraw/zinc/27/65/33/284276533.db2.gz RSDOOSKGOBXPNK-RHSMWYFYSA-N 1 3 303.450 2.665 20 0 DFADHO COC(=O)CCCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420306948 296172566 /nfs/dbraw/zinc/17/25/66/296172566.db2.gz IAMBPGGZAJRMPD-HNNXBMFYSA-N 1 3 322.474 2.645 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000341696531 284276600 /nfs/dbraw/zinc/27/66/00/284276600.db2.gz RSDOOSKGOBXPNK-PBHICJAKSA-N 1 3 303.450 2.665 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000341696531 284276601 /nfs/dbraw/zinc/27/66/01/284276601.db2.gz RSDOOSKGOBXPNK-PBHICJAKSA-N 1 3 303.450 2.665 20 0 DFADHO COc1ccc([C@H]2CCCCCN2CCN2CC[NH2+]CC2)cc1 ZINC000420315921 296174135 /nfs/dbraw/zinc/17/41/35/296174135.db2.gz LWSJOIJATHZXJG-LJQANCHMSA-N 1 3 317.477 2.518 20 0 DFADHO COc1ccc(OC)c(CN(CC[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420324562 296175163 /nfs/dbraw/zinc/17/51/63/296175163.db2.gz VQIFGPPXMJJMHB-CQSZACIVSA-N 1 3 304.434 2.668 20 0 DFADHO CC[C@H](c1ccc(F)cc1)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323653 296175229 /nfs/dbraw/zinc/17/52/29/296175229.db2.gz GPLJAPFUVCABAR-DOTOQJQBSA-N 1 3 306.425 2.964 20 0 DFADHO c1ccc([C@@H]2CN(CCN3CC[NH2+]CC3)Cc3ccccc32)cc1 ZINC000420325900 296175770 /nfs/dbraw/zinc/17/57/70/296175770.db2.gz WXGNFWYAEPPUBR-NRFANRHFSA-N 1 3 321.468 2.539 20 0 DFADHO c1cnc2sc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420337759 296177033 /nfs/dbraw/zinc/17/70/33/296177033.db2.gz XAGJPXULADCIMI-QWHCGFSZSA-N 1 3 302.447 2.513 20 0 DFADHO CCOC(=O)C1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000596094053 399171053 /nfs/dbraw/zinc/17/10/53/399171053.db2.gz IATSDBYPBVUEBX-WWDZGPRUSA-N 1 3 322.493 2.820 20 0 DFADHO COC(=O)c1cc(C[NH2+][C@@H](CN)C2CCCCC2)c(C)s1 ZINC000420366309 296180614 /nfs/dbraw/zinc/18/06/14/296180614.db2.gz MBRZCIBKCNQCQO-AWEZNQCLSA-N 1 3 310.463 2.840 20 0 DFADHO CC(C)[C@H]([NH2+]C[C@H](O)[C@@H](N)Cc1ccccc1)c1ccccc1 ZINC000420363048 296180313 /nfs/dbraw/zinc/18/03/13/296180313.db2.gz BBDVOVZVXKOWKP-UFYCRDLUSA-N 1 3 312.457 2.904 20 0 DFADHO CC(C)[C@H](NC[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000420363048 296180314 /nfs/dbraw/zinc/18/03/14/296180314.db2.gz BBDVOVZVXKOWKP-UFYCRDLUSA-N 1 3 312.457 2.904 20 0 DFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H]2c2cccnc2)cc1 ZINC000420364979 296180765 /nfs/dbraw/zinc/18/07/65/296180765.db2.gz RQMZKTJBNWKWKA-PKOBYXMFSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000420364979 296180766 /nfs/dbraw/zinc/18/07/66/296180766.db2.gz RQMZKTJBNWKWKA-PKOBYXMFSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000420364979 296180767 /nfs/dbraw/zinc/18/07/67/296180767.db2.gz RQMZKTJBNWKWKA-PKOBYXMFSA-N 1 3 311.429 2.970 20 0 DFADHO CC[C@H]1Cc2ccccc2CN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420365419 296180858 /nfs/dbraw/zinc/18/08/58/296180858.db2.gz SDEUDSYYKHQNJY-ACRUOGEOSA-N 1 3 324.468 2.754 20 0 DFADHO CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420365419 296180860 /nfs/dbraw/zinc/18/08/60/296180860.db2.gz SDEUDSYYKHQNJY-ACRUOGEOSA-N 1 3 324.468 2.754 20 0 DFADHO CC[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420365419 296180861 /nfs/dbraw/zinc/18/08/61/296180861.db2.gz SDEUDSYYKHQNJY-ACRUOGEOSA-N 1 3 324.468 2.754 20 0 DFADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)Nc1ccc(Cl)cc1 ZINC000420366435 296181214 /nfs/dbraw/zinc/18/12/14/296181214.db2.gz RCCPDYMWQMBNKZ-AWEZNQCLSA-N 1 3 309.841 2.646 20 0 DFADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000420366435 296181215 /nfs/dbraw/zinc/18/12/15/296181215.db2.gz RCCPDYMWQMBNKZ-AWEZNQCLSA-N 1 3 309.841 2.646 20 0 DFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCSc2ccccc2)CC1 ZINC000420389062 296185077 /nfs/dbraw/zinc/18/50/77/296185077.db2.gz XTVAJLLCUDFDNG-ZWKOTPCHSA-N 1 3 320.502 2.997 20 0 DFADHO CSc1ccccc1NC(=O)CCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420395610 296185709 /nfs/dbraw/zinc/18/57/09/296185709.db2.gz DODIFRURUGGBAR-UONOGXRCSA-N 1 3 321.490 2.654 20 0 DFADHO O=C(NCC12CCC[NH+]1CCC2)[C@@H]1CCCCN1C1CCCC1 ZINC000614225393 399180855 /nfs/dbraw/zinc/18/08/55/399180855.db2.gz OGAFITRTBPPCEF-KRWDZBQOSA-N 1 3 319.493 2.528 20 0 DFADHO COc1ccc([C@H](CN)C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)cc1 ZINC000420404625 296186757 /nfs/dbraw/zinc/18/67/57/296186757.db2.gz MKPOGJDPGKWXJH-QRQLOZEOSA-N 1 3 320.477 2.921 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000282765151 217234478 /nfs/dbraw/zinc/23/44/78/217234478.db2.gz ZWEAGBKJFCHGRJ-VBSBHUPXSA-N 1 3 324.472 2.772 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CCCN(C)C[C@H]1CC ZINC000614336632 399212036 /nfs/dbraw/zinc/21/20/36/399212036.db2.gz ZZKGINJKDXZAGG-QGZVFWFLSA-N 1 3 311.514 2.831 20 0 DFADHO CCn1nccc1CC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000282983283 217367735 /nfs/dbraw/zinc/36/77/35/217367735.db2.gz FTSRANIVHYRJNR-KDURUIRLSA-N 1 3 324.472 2.509 20 0 DFADHO CCn1nccc1CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000282983283 217367738 /nfs/dbraw/zinc/36/77/38/217367738.db2.gz FTSRANIVHYRJNR-KDURUIRLSA-N 1 3 324.472 2.509 20 0 DFADHO CSC1(CNCc2ccnn2CC2CCC2)CC[NH+](C)CC1 ZINC000601124811 399234365 /nfs/dbraw/zinc/23/43/65/399234365.db2.gz KHLOEYVUUQCQMJ-UHFFFAOYSA-N 1 3 322.522 2.600 20 0 DFADHO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C1(C)C ZINC000608579144 399276413 /nfs/dbraw/zinc/27/64/13/399276413.db2.gz CCWSLEARRKMBNJ-HKUYNNGSSA-N 1 3 320.477 2.920 20 0 DFADHO C[C@H]([NH2+]CCCC1(O)CCC1)c1cccc(OCCN(C)C)c1 ZINC000421855510 296278099 /nfs/dbraw/zinc/27/80/99/296278099.db2.gz MEVSNAGSKUVWHJ-INIZCTEOSA-N 1 3 320.477 2.973 20 0 DFADHO C[NH+](C)C1CCC(NC(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000422012227 296290561 /nfs/dbraw/zinc/29/05/61/296290561.db2.gz VRVZWHRQQOWRPO-LEOMRAHMSA-N 1 3 321.509 2.773 20 0 DFADHO C[C@@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347006 399368208 /nfs/dbraw/zinc/36/82/08/399368208.db2.gz KVLLDFHOEIHCKH-LPHOPBHVSA-N 1 3 315.505 2.896 20 0 DFADHO C[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347006 399368211 /nfs/dbraw/zinc/36/82/11/399368211.db2.gz KVLLDFHOEIHCKH-LPHOPBHVSA-N 1 3 315.505 2.896 20 0 DFADHO C[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347006 399368212 /nfs/dbraw/zinc/36/82/12/399368212.db2.gz KVLLDFHOEIHCKH-LPHOPBHVSA-N 1 3 315.505 2.896 20 0 DFADHO CN(C)C(=O)C[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000623374373 399375050 /nfs/dbraw/zinc/37/50/50/399375050.db2.gz BPDSKHAZGMWDKT-SJORKVTESA-N 1 3 317.477 2.668 20 0 DFADHO COc1ccc(CCN[C@@H]2CC[N@H+](C)C(C)(C)C2)c(OC)c1 ZINC000623384892 399377104 /nfs/dbraw/zinc/37/71/04/399377104.db2.gz PYPNVQKLIQLLBU-OAHLLOKOSA-N 1 3 306.450 2.709 20 0 DFADHO COc1ccc(CCN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c(OC)c1 ZINC000623384892 399377106 /nfs/dbraw/zinc/37/71/06/399377106.db2.gz PYPNVQKLIQLLBU-OAHLLOKOSA-N 1 3 306.450 2.709 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccncc2Cl)C[C@H](C)O1 ZINC000623424982 399386684 /nfs/dbraw/zinc/38/66/84/399386684.db2.gz MYAWHKVJPBTZQK-OKILXGFUSA-N 1 3 311.857 2.714 20 0 DFADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000109788205 194284230 /nfs/dbraw/zinc/28/42/30/194284230.db2.gz ISMYDOJZTVZGPB-UHFFFAOYSA-N 1 3 321.440 2.961 20 0 DFADHO CCCN1CCC([N@H+](C)Cc2cccc(NC(C)=O)c2)CC1 ZINC000109786157 194285172 /nfs/dbraw/zinc/28/51/72/194285172.db2.gz QXINVELLZUPPRQ-UHFFFAOYSA-N 1 3 303.450 2.951 20 0 DFADHO CCCN1CCC([N@@H+](C)Cc2cccc(NC(C)=O)c2)CC1 ZINC000109786157 194285174 /nfs/dbraw/zinc/28/51/74/194285174.db2.gz QXINVELLZUPPRQ-UHFFFAOYSA-N 1 3 303.450 2.951 20 0 DFADHO C[C@@H]1C[C@H](C)N(Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C[NH3+] ZINC000422559487 296312327 /nfs/dbraw/zinc/31/23/27/296312327.db2.gz DFSGHGFRVRBCBV-RDBSUJKOSA-N 1 3 318.490 2.954 20 0 DFADHO CC(C)[C@@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)N(C)C ZINC000110870587 194365483 /nfs/dbraw/zinc/36/54/83/194365483.db2.gz UXVSANAESXFMQP-SFHVURJKSA-N 1 3 319.493 2.729 20 0 DFADHO CC(C)[C@@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)N(C)C ZINC000110870587 194365486 /nfs/dbraw/zinc/36/54/86/194365486.db2.gz UXVSANAESXFMQP-SFHVURJKSA-N 1 3 319.493 2.729 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2nc3c(cccc3C)o2)[C@@H](C)C1 ZINC000268880110 207050770 /nfs/dbraw/zinc/05/07/70/207050770.db2.gz AVTXGMAJRMSZNU-GJZGRUSLSA-N 1 3 301.434 2.999 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2nc3c(cccc3C)o2)[C@@H](C)C1 ZINC000268880110 207050776 /nfs/dbraw/zinc/05/07/76/207050776.db2.gz AVTXGMAJRMSZNU-GJZGRUSLSA-N 1 3 301.434 2.999 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cccc(OC)c3)C2)[C@H](C)C1 ZINC000268880702 207051796 /nfs/dbraw/zinc/05/17/96/207051796.db2.gz WOTKATQJYDLQDX-GJYPPUQNSA-N 1 3 317.477 2.594 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3cccc(OC)c3)C2)[C@H](C)C1 ZINC000268880702 207051800 /nfs/dbraw/zinc/05/18/00/207051800.db2.gz WOTKATQJYDLQDX-GJYPPUQNSA-N 1 3 317.477 2.594 20 0 DFADHO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000268889787 207058695 /nfs/dbraw/zinc/05/86/95/207058695.db2.gz ZXYGDIOEWUMPQL-WBVHZDCISA-N 1 3 306.450 2.581 20 0 DFADHO CCCN1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000619895426 399400880 /nfs/dbraw/zinc/40/08/80/399400880.db2.gz LAQGXYWBFGPXEB-GOSISDBHSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@H]1C[C@H](C)N(CCc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000422640727 296317722 /nfs/dbraw/zinc/31/77/22/296317722.db2.gz VYFOFEABDOABET-IJEWVQPXSA-N 1 3 314.433 2.584 20 0 DFADHO C[C@@H](NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000422699050 296318287 /nfs/dbraw/zinc/31/82/87/296318287.db2.gz CHOCCBAGXKSAIT-CRAIPNDOSA-N 1 3 301.478 2.553 20 0 DFADHO C[C@@H](NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422703005 296318530 /nfs/dbraw/zinc/31/85/30/296318530.db2.gz MBKUKWORVDMOFE-VQIMIIECSA-N 1 3 315.505 2.944 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)[C@H]1CCCCN1 ZINC000422703005 296318532 /nfs/dbraw/zinc/31/85/32/296318532.db2.gz MBKUKWORVDMOFE-VQIMIIECSA-N 1 3 315.505 2.944 20 0 DFADHO COc1ccc(CCN[C@H]2CCCCC[C@H]2[NH3+])c(OC)c1OC ZINC000422709358 296319624 /nfs/dbraw/zinc/31/96/24/296319624.db2.gz YZLIYWKJUWDLLS-CABCVRRESA-N 1 3 322.449 2.505 20 0 DFADHO C[NH+](C)[C@H]1C[C@@H](CNCc2ccsc2Br)C1 ZINC000623560339 399416592 /nfs/dbraw/zinc/41/65/92/399416592.db2.gz CBVAVXXYMFIYAA-JGZJWPJOSA-N 1 3 303.269 2.940 20 0 DFADHO CCC(CC)C(=O)N1CCC(N[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422724862 296322040 /nfs/dbraw/zinc/32/20/40/296322040.db2.gz WVKHVINJCXJFID-YOEHRIQHSA-N 1 3 309.498 2.534 20 0 DFADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCN(c3ccc(F)cc3)C2)CC1(C)C ZINC000623551949 399414332 /nfs/dbraw/zinc/41/43/32/399414332.db2.gz PHDAUBRYCRSXCK-HZPDHXFCSA-N 1 3 305.441 2.867 20 0 DFADHO C[N@H+]1CC[C@@H](N[C@@H]2CCN(c3ccc(F)cc3)C2)CC1(C)C ZINC000623551949 399414334 /nfs/dbraw/zinc/41/43/34/399414334.db2.gz PHDAUBRYCRSXCK-HZPDHXFCSA-N 1 3 305.441 2.867 20 0 DFADHO CCC(CC)C(=O)N1CCC(N[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422724860 296322277 /nfs/dbraw/zinc/32/22/77/296322277.db2.gz WVKHVINJCXJFID-RHSMWYFYSA-N 1 3 309.498 2.534 20 0 DFADHO CCc1ccc([C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000422729472 296322865 /nfs/dbraw/zinc/32/28/65/296322865.db2.gz IDWGLGIKUQBFEL-QRVBRYPASA-N 1 3 303.494 2.959 20 0 DFADHO Cc1c([C@@H](C)NCCCC[NH+](C)C)nnn1-c1ccc(F)cc1 ZINC000268992808 207149196 /nfs/dbraw/zinc/14/91/96/207149196.db2.gz KBFVKAQPWLIPNE-CYBMUJFWSA-N 1 3 319.428 2.707 20 0 DFADHO CC(C)COc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000268990095 207146116 /nfs/dbraw/zinc/14/61/16/207146116.db2.gz MGYJOQVMPBKECP-INIZCTEOSA-N 1 3 320.477 2.829 20 0 DFADHO CC[C@H](NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422729239 296322823 /nfs/dbraw/zinc/32/28/23/296322823.db2.gz KEWCFGKQAPWUBP-OALUTQOASA-N 1 3 301.478 2.771 20 0 DFADHO c1cc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000422730910 296323064 /nfs/dbraw/zinc/32/30/64/296323064.db2.gz MTOCXISTDYEZSX-KURKYZTESA-N 1 3 300.446 2.674 20 0 DFADHO CCOC(=O)CCC1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000610997835 399426792 /nfs/dbraw/zinc/42/67/92/399426792.db2.gz KBEUVUNRXZBOHS-QGZVFWFLSA-N 1 3 310.482 2.916 20 0 DFADHO CCOC(=O)CCC1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000610997835 399426796 /nfs/dbraw/zinc/42/67/96/399426796.db2.gz KBEUVUNRXZBOHS-QGZVFWFLSA-N 1 3 310.482 2.916 20 0 DFADHO C[C@H](CCN(C)C)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000269009991 207162520 /nfs/dbraw/zinc/16/25/20/207162520.db2.gz NKBUXDMRMWHJEW-MRXNPFEDSA-N 1 3 321.484 2.762 20 0 DFADHO CN1CCCC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000623657218 399436859 /nfs/dbraw/zinc/43/68/59/399436859.db2.gz LNESLFHNWVVXRJ-KRWDZBQOSA-N 1 3 301.478 2.977 20 0 DFADHO COCCOc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000623655620 399435629 /nfs/dbraw/zinc/43/56/29/399435629.db2.gz ALSNUPWNGFMPSC-QGZVFWFLSA-N 1 3 306.450 2.533 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)CC2 ZINC000623657686 399437994 /nfs/dbraw/zinc/43/79/94/399437994.db2.gz WPCHTLDFWBTIOH-CRAIPNDOSA-N 1 3 302.462 2.874 20 0 DFADHO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000269054470 207203875 /nfs/dbraw/zinc/20/38/75/207203875.db2.gz ITSVDSYZEGWIRU-HOTGVXAUSA-N 1 3 308.466 2.686 20 0 DFADHO COC(=O)C(C)(C)[C@@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000611322979 399462146 /nfs/dbraw/zinc/46/21/46/399462146.db2.gz ILVCBTGNVQPSPZ-HZPDHXFCSA-N 1 3 310.482 2.772 20 0 DFADHO COC(=O)C(C)(C)[C@@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000611322979 399462148 /nfs/dbraw/zinc/46/21/48/399462148.db2.gz ILVCBTGNVQPSPZ-HZPDHXFCSA-N 1 3 310.482 2.772 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137066 207268303 /nfs/dbraw/zinc/26/83/03/207268303.db2.gz UHXCYVJMQQWIHV-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137066 207268307 /nfs/dbraw/zinc/26/83/07/207268307.db2.gz UHXCYVJMQQWIHV-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137066 207268311 /nfs/dbraw/zinc/26/83/11/207268311.db2.gz UHXCYVJMQQWIHV-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137066 207268315 /nfs/dbraw/zinc/26/83/15/207268315.db2.gz UHXCYVJMQQWIHV-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCCN1C ZINC000623785766 399465443 /nfs/dbraw/zinc/46/54/43/399465443.db2.gz IRLNIVXSXYIVLD-SFHVURJKSA-N 1 3 303.494 2.828 20 0 DFADHO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000422737451 296324164 /nfs/dbraw/zinc/32/41/64/296324164.db2.gz IGMJSXCYDMCAMP-MDMSPXHWSA-N 1 3 321.509 2.534 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1ccccc1C(F)(F)F ZINC000422743580 296325030 /nfs/dbraw/zinc/32/50/30/296325030.db2.gz UHEOUOOEGBUNQF-WHOFXGATSA-N 1 3 316.367 2.590 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000422743580 296325031 /nfs/dbraw/zinc/32/50/31/296325031.db2.gz UHEOUOOEGBUNQF-WHOFXGATSA-N 1 3 316.367 2.590 20 0 DFADHO CC(C)NC(=O)[C@@H]1CCC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422745731 296325137 /nfs/dbraw/zinc/32/51/37/296325137.db2.gz MTKHDJCCOLABPC-IDCJVQTKSA-N 1 3 315.461 2.804 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1N)c1c(F)cccc1F ZINC000422745626 296325327 /nfs/dbraw/zinc/32/53/27/296325327.db2.gz MPTOPCXHFXBECJ-ARFHVFGLSA-N 1 3 311.420 2.817 20 0 DFADHO CN(C)[C@H](C[NH2+][C@H]1CCCCC[C@H]1N)c1c(F)cccc1F ZINC000422745629 296325333 /nfs/dbraw/zinc/32/53/33/296325333.db2.gz MPTOPCXHFXBECJ-OWCLPIDISA-N 1 3 311.420 2.817 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCN(C)Cc1ccccc1 ZINC000422750821 296326311 /nfs/dbraw/zinc/32/63/11/296326311.db2.gz BUNJHUXZZZYVJF-HNNXBMFYSA-N 1 3 312.461 2.631 20 0 DFADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCOC1CCCC1 ZINC000422759842 296328095 /nfs/dbraw/zinc/32/80/95/296328095.db2.gz KGAYYQYPACQDLS-MJGOQNOKSA-N 1 3 316.445 2.791 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](CO)Cc1ccccc1 ZINC000422757075 296327806 /nfs/dbraw/zinc/32/78/06/296327806.db2.gz JIFAPZLNHPQODS-NZSAHSFTSA-N 1 3 304.478 2.738 20 0 DFADHO Clc1cccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422763300 296328997 /nfs/dbraw/zinc/32/89/97/296328997.db2.gz NDWGGLYIIGNCLX-YESZJQIVSA-N 1 3 308.853 2.629 20 0 DFADHO CC[C@H](N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422761531 296328577 /nfs/dbraw/zinc/32/85/77/296328577.db2.gz MVQDVGBLZMHTKV-FHWLQOOXSA-N 1 3 301.478 2.771 20 0 DFADHO CC[C@@H](NCC1(N2CCOCC2)CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422763442 296328738 /nfs/dbraw/zinc/32/87/38/296328738.db2.gz OQWMZYDJVBAQIE-MSOLQXFVSA-N 1 3 323.525 2.532 20 0 DFADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)[C@@H]1CCCCN1 ZINC000422763442 296328739 /nfs/dbraw/zinc/32/87/39/296328739.db2.gz OQWMZYDJVBAQIE-MSOLQXFVSA-N 1 3 323.525 2.532 20 0 DFADHO Cc1ccc([C@H](C)CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422762256 296328778 /nfs/dbraw/zinc/32/87/78/296328778.db2.gz MKJOJEYAQNAWLJ-NXWXRZEISA-N 1 3 302.462 2.845 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422762358 296328802 /nfs/dbraw/zinc/32/88/02/296328802.db2.gz NRBQXNSBKGLZIX-RWMBFGLXSA-N 1 3 313.392 2.582 20 0 DFADHO CCOc1cc(CCCN[C@@H](C)[C@H]2CC[NH2+]C2)ccc1OC ZINC000422763690 296328830 /nfs/dbraw/zinc/32/88/30/296328830.db2.gz ULLKCTWNFGKPQU-HOCLYGCPSA-N 1 3 306.450 2.614 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC1(N(C)C)CCCCC1 ZINC000422767153 296329523 /nfs/dbraw/zinc/32/95/23/296329523.db2.gz YERGWPKUCSBTKQ-WMZOPIPTSA-N 1 3 303.494 2.799 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@@H]3CC[NH2+]CC[C@H]3C)C2)c1 ZINC000422770061 296330393 /nfs/dbraw/zinc/33/03/93/296330393.db2.gz WHVAJLFCZIWDRY-JTDSTZFVSA-N 1 3 317.477 2.642 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2cccc(Cl)c2)CC1 ZINC000422767944 296329768 /nfs/dbraw/zinc/32/97/68/296329768.db2.gz NJNFYQCBJAEGCP-APHBMKBZSA-N 1 3 308.853 2.714 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422767944 296329770 /nfs/dbraw/zinc/32/97/70/296329770.db2.gz NJNFYQCBJAEGCP-APHBMKBZSA-N 1 3 308.853 2.714 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422771175 296330253 /nfs/dbraw/zinc/33/02/53/296330253.db2.gz XVKSFUCUXDTFRT-YJBOKZPZSA-N 1 3 320.452 2.981 20 0 DFADHO Cc1cccc([C@H](C)CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422775951 296331034 /nfs/dbraw/zinc/33/10/34/296331034.db2.gz CRDPAYRBILRJCE-OQIJWPOYSA-N 1 3 302.462 2.845 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H](c1cccs1)N(C)C ZINC000422773205 296330672 /nfs/dbraw/zinc/33/06/72/296330672.db2.gz ZLVVCIDBQLBQAH-BHYGNILZSA-N 1 3 317.502 2.899 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](c1cccs1)N(C)C ZINC000422773205 296330673 /nfs/dbraw/zinc/33/06/73/296330673.db2.gz ZLVVCIDBQLBQAH-BHYGNILZSA-N 1 3 317.502 2.899 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000422780856 296331934 /nfs/dbraw/zinc/33/19/34/296331934.db2.gz KUOBNWSEHQNLQD-WBQNTZJQSA-N 1 3 303.450 2.703 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCSc1ccc(Cl)cc1 ZINC000422774881 296331149 /nfs/dbraw/zinc/33/11/49/296331149.db2.gz YVJMCTBMEWHPEM-CQDKDKBSSA-N 1 3 314.882 2.774 20 0 DFADHO CCCN1CCC([NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000422784259 296332267 /nfs/dbraw/zinc/33/22/67/296332267.db2.gz NVNOVFSUUGCGEB-RBUKOAKNSA-N 1 3 301.478 2.944 20 0 DFADHO CC[C@@H](NCC1(N(C)C)Cc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422786367 296332579 /nfs/dbraw/zinc/33/25/79/296332579.db2.gz QHDPXVYCJGZAOY-MOPGFXCFSA-N 1 3 315.505 2.596 20 0 DFADHO CC[C@H](NCC1(N(C)C)Cc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422786369 296332785 /nfs/dbraw/zinc/33/27/85/296332785.db2.gz QHDPXVYCJGZAOY-RBUKOAKNSA-N 1 3 315.505 2.596 20 0 DFADHO OCC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422792035 296333753 /nfs/dbraw/zinc/33/37/53/296333753.db2.gz WRTWPUABCZSJOV-YDZRNGNQSA-N 1 3 302.462 2.663 20 0 DFADHO N[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422794207 296333996 /nfs/dbraw/zinc/33/39/96/296333996.db2.gz YLHLCEMWNWWYOH-DLBZAZTESA-N 1 3 307.869 2.774 20 0 DFADHO [NH3+][C@H]1CCC[C@H]1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422794207 296333997 /nfs/dbraw/zinc/33/39/97/296333997.db2.gz YLHLCEMWNWWYOH-DLBZAZTESA-N 1 3 307.869 2.774 20 0 DFADHO CCN(CC)[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000422797437 296334754 /nfs/dbraw/zinc/33/47/54/296334754.db2.gz MNDCWTLCRJXIHQ-SZVBFZGTSA-N 1 3 319.493 2.666 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1nc(C(F)(F)F)cs1 ZINC000422801671 296335502 /nfs/dbraw/zinc/33/55/02/296335502.db2.gz CJIDZCOZWORQDC-ZJUUUORDSA-N 1 3 307.385 2.682 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422798336 296334959 /nfs/dbraw/zinc/33/49/59/296334959.db2.gz QRRXJENDEAEOTP-CRAIPNDOSA-N 1 3 316.493 2.764 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422798336 296334960 /nfs/dbraw/zinc/33/49/60/296334960.db2.gz QRRXJENDEAEOTP-CRAIPNDOSA-N 1 3 316.493 2.764 20 0 DFADHO CCN(CC)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422798721 296335218 /nfs/dbraw/zinc/33/52/18/296335218.db2.gz SNRNFOCBMQLADV-ATZDWAIDSA-N 1 3 319.493 2.808 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cc(N(C)C)nc2ccccc12 ZINC000422807332 296336627 /nfs/dbraw/zinc/33/66/27/296336627.db2.gz MHJWQFNBFZKMLZ-YOEHRIQHSA-N 1 3 312.461 2.779 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000422812084 296337671 /nfs/dbraw/zinc/33/76/71/296337671.db2.gz XEKPAFDKASUGDL-YVEFUNNKSA-N 1 3 318.490 2.864 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000422812083 296337628 /nfs/dbraw/zinc/33/76/28/296337628.db2.gz XEKPAFDKASUGDL-SJKOYZFVSA-N 1 3 318.490 2.864 20 0 DFADHO CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000631844723 399506154 /nfs/dbraw/zinc/50/61/54/399506154.db2.gz LRNGSDNGVNDCQL-RDTXWAMCSA-N 1 3 313.449 2.868 20 0 DFADHO CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000631844723 399506159 /nfs/dbraw/zinc/50/61/59/399506159.db2.gz LRNGSDNGVNDCQL-RDTXWAMCSA-N 1 3 313.449 2.868 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000422818666 296338937 /nfs/dbraw/zinc/33/89/37/296338937.db2.gz GVPIVWOXBLPBOQ-MAZHCROVSA-N 1 3 310.869 2.960 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC(C)(C)c1cccc(Cl)c1 ZINC000422818666 296338938 /nfs/dbraw/zinc/33/89/38/296338938.db2.gz GVPIVWOXBLPBOQ-MAZHCROVSA-N 1 3 310.869 2.960 20 0 DFADHO CCCCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1(C)C ZINC000422819516 296339077 /nfs/dbraw/zinc/33/90/77/296339077.db2.gz NCUXSMBRXRVISW-IECFSIQFSA-N 1 3 324.509 2.717 20 0 DFADHO CC[C@@H](NCc1ccccc1OCCN(C)C)[C@H]1CCCC[NH2+]1 ZINC000422824844 296339822 /nfs/dbraw/zinc/33/98/22/296339822.db2.gz OQSDYOQIAHEZFJ-QZTJIDSGSA-N 1 3 319.493 2.637 20 0 DFADHO COc1ccccc1N1CCC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422829831 296340812 /nfs/dbraw/zinc/34/08/12/296340812.db2.gz CBTFEKBWBCIVTI-SJPCQFCGSA-N 1 3 315.461 2.537 20 0 DFADHO C[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422833299 296341336 /nfs/dbraw/zinc/34/13/36/296341336.db2.gz MHHPGCXAJBCADQ-QRQLOZEOSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@@H](NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CCC[NH2+]1 ZINC000422834946 296341864 /nfs/dbraw/zinc/34/18/64/296341864.db2.gz HZWQVDBPUJQBGD-HLLBOEOZSA-N 1 3 307.507 2.690 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422836179 296341956 /nfs/dbraw/zinc/34/19/56/296341956.db2.gz JKXVQIVCBTXOCT-HLLBOEOZSA-N 1 3 307.507 2.677 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2C[NH2+]CC[C@@H]2C)N2CCCC2)cc1 ZINC000422835892 296342214 /nfs/dbraw/zinc/34/22/14/296342214.db2.gz ZFBUJFPQEJLEIL-UHOSZYNNSA-N 1 3 301.478 2.720 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422845654 296343668 /nfs/dbraw/zinc/34/36/68/296343668.db2.gz OMMXULMVMZLIBE-AEFFLSMTSA-N 1 3 324.428 2.551 20 0 DFADHO COc1ccccc1N1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000422841030 296342747 /nfs/dbraw/zinc/34/27/47/296342747.db2.gz VBRKYLKKMSWUAY-NVXWUHKLSA-N 1 3 317.477 2.771 20 0 DFADHO CC(C)COc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)cc1 ZINC000422854457 296345384 /nfs/dbraw/zinc/34/53/84/296345384.db2.gz ASQLXOHVJICLPU-ZYSHUDEJSA-N 1 3 320.477 2.606 20 0 DFADHO CC(C)COc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422854457 296345385 /nfs/dbraw/zinc/34/53/85/296345385.db2.gz ASQLXOHVJICLPU-ZYSHUDEJSA-N 1 3 320.477 2.606 20 0 DFADHO C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1cnccc1N ZINC000422852240 296344909 /nfs/dbraw/zinc/34/49/09/296344909.db2.gz XSZJYBBZCUONSK-INIZCTEOSA-N 1 3 324.472 2.852 20 0 DFADHO CC(=O)Nc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)c1 ZINC000422866319 296347090 /nfs/dbraw/zinc/34/70/90/296347090.db2.gz QEGWQYJFSFOUKI-LIRRHRJNSA-N 1 3 311.429 2.693 20 0 DFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(c2ccccn2)CC1 ZINC000422866813 296347205 /nfs/dbraw/zinc/34/72/05/296347205.db2.gz QZKAQDMCVIPKDK-APWZRJJASA-N 1 3 324.472 2.599 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000422865353 296347235 /nfs/dbraw/zinc/34/72/35/296347235.db2.gz XWFDGJIHGAYOFO-WFASDCNBSA-N 1 3 309.841 2.694 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1CN ZINC000422865353 296347236 /nfs/dbraw/zinc/34/72/36/296347236.db2.gz XWFDGJIHGAYOFO-WFASDCNBSA-N 1 3 309.841 2.694 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCN(C)CC(F)(F)F ZINC000422868600 296347417 /nfs/dbraw/zinc/34/74/17/296347417.db2.gz VPQNBNLTKLEMAD-KGLIPLIRSA-N 1 3 309.420 2.771 20 0 DFADHO CC[C@H](NCC1(N2CCC(OC)CC2)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422889758 296351324 /nfs/dbraw/zinc/35/13/24/296351324.db2.gz QMLZEIPKTRPELZ-ROUUACIJSA-N 1 3 323.525 2.530 20 0 DFADHO COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2CN)cc1OC(F)F ZINC000422884869 296350649 /nfs/dbraw/zinc/35/06/49/296350649.db2.gz XUKKXGWELZQTIF-OLZOCXBDSA-N 1 3 314.376 2.556 20 0 DFADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnccc1N ZINC000422887512 296350796 /nfs/dbraw/zinc/35/07/96/296350796.db2.gz YZVXWQDCEBHGHZ-BZUAXINKSA-N 1 3 304.482 2.903 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000119673719 195014209 /nfs/dbraw/zinc/01/42/09/195014209.db2.gz YQIQNLJNNWRWAO-HOJAQTOUSA-N 1 3 315.505 2.971 20 0 DFADHO COc1cccc(N2CC[C@@H](CN[C@@H](C)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422899834 296352729 /nfs/dbraw/zinc/35/27/29/296352729.db2.gz IGZQBYHTSXWDIU-TXPKVOOTSA-N 1 3 317.477 2.642 20 0 DFADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422897631 296352544 /nfs/dbraw/zinc/35/25/44/296352544.db2.gz JWVSVJLGUZJGLD-OKZBNKHCSA-N 1 3 318.436 2.604 20 0 DFADHO CCCCOc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)cc1 ZINC000422904039 296353960 /nfs/dbraw/zinc/35/39/60/296353960.db2.gz WTBUYUGYAMUVQC-KFKAGJAMSA-N 1 3 320.477 2.750 20 0 DFADHO CCCCOc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422904039 296353961 /nfs/dbraw/zinc/35/39/61/296353961.db2.gz WTBUYUGYAMUVQC-KFKAGJAMSA-N 1 3 320.477 2.750 20 0 DFADHO C[C@H](N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CC[NH2+]C1 ZINC000422906483 296354276 /nfs/dbraw/zinc/35/42/76/296354276.db2.gz JWCYKOPVLVEYAK-SOUVJXGZSA-N 1 3 323.431 2.517 20 0 DFADHO COc1cccc(N2CC[C@H](C[NH2+][C@H]3CCCC[C@H]3CN)C2)c1 ZINC000422907623 296354484 /nfs/dbraw/zinc/35/44/84/296354484.db2.gz XGRFFJGNDREMJT-GJYPPUQNSA-N 1 3 317.477 2.629 20 0 DFADHO CCc1cccc2c(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)c[nH]c21 ZINC000422915180 296355392 /nfs/dbraw/zinc/35/53/92/296355392.db2.gz XLXFQNPAMBYMJD-MORSLUCNSA-N 1 3 315.461 2.615 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000422917310 296355404 /nfs/dbraw/zinc/35/54/04/296355404.db2.gz CZXRVTPFOSZRNF-BXKDBHETSA-N 1 3 319.232 2.770 20 0 DFADHO Clc1cc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc2c1OCCO2 ZINC000422927565 296356467 /nfs/dbraw/zinc/35/64/67/296356467.db2.gz GTBJJQIWGMNUJW-PBWFPOADSA-N 1 3 322.836 2.526 20 0 DFADHO FC(F)(F)COCCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422931091 296356792 /nfs/dbraw/zinc/35/67/92/296356792.db2.gz WXZPDLDRMUSRPT-ZIAGYGMSSA-N 1 3 302.340 2.648 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930515 296356929 /nfs/dbraw/zinc/35/69/29/296356929.db2.gz USTHSOMEOXYUJH-DOMZBBRYSA-N 1 3 324.852 2.631 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930515 296356930 /nfs/dbraw/zinc/35/69/30/296356930.db2.gz USTHSOMEOXYUJH-DOMZBBRYSA-N 1 3 324.852 2.631 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422926766 296356355 /nfs/dbraw/zinc/35/63/55/296356355.db2.gz DYGKVENPNFCOEX-HUUCEWRRSA-N 1 3 303.450 2.528 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422947901 296359453 /nfs/dbraw/zinc/35/94/53/296359453.db2.gz QTMFQWVWEVTSMI-DOMZBBRYSA-N 1 3 309.841 2.776 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1cccc(Br)c1 ZINC000422949350 296359590 /nfs/dbraw/zinc/35/95/90/296359590.db2.gz TUCVISYVZTZCBE-GHMZBOCLSA-N 1 3 301.228 2.543 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422955389 296360799 /nfs/dbraw/zinc/36/07/99/296360799.db2.gz JDTYXXWFMYBYRD-WDEREUQCSA-N 1 3 308.813 2.648 20 0 DFADHO Fc1ccc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000422951984 296360043 /nfs/dbraw/zinc/36/00/43/296360043.db2.gz BDZDBENILMQXAA-IAOVAPTHSA-N 1 3 310.388 2.854 20 0 DFADHO CC(C)(CO)[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000422962233 296361473 /nfs/dbraw/zinc/36/14/73/296361473.db2.gz CFHYALHOBLTUMJ-KSZLIROESA-N 1 3 304.478 2.896 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000422965508 296361901 /nfs/dbraw/zinc/36/19/01/296361901.db2.gz LERQNYDTHFPAFJ-IEBWSBKVSA-N 1 3 318.461 2.599 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2c(c1)CNC2 ZINC000347537815 285072394 /nfs/dbraw/zinc/07/23/94/285072394.db2.gz RNLOIDJCCBWPNX-HNNXBMFYSA-N 1 3 315.461 2.674 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc2c(c1)CNC2 ZINC000347537815 285072396 /nfs/dbraw/zinc/07/23/96/285072396.db2.gz RNLOIDJCCBWPNX-HNNXBMFYSA-N 1 3 315.461 2.674 20 0 DFADHO CC(C)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N)N1CCCC1 ZINC000422967110 296362540 /nfs/dbraw/zinc/36/25/40/296362540.db2.gz SJQAOPNPHTXEDX-WDSOQIARSA-N 1 3 303.494 2.655 20 0 DFADHO CC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1CCCCN1 ZINC000422989031 296364632 /nfs/dbraw/zinc/36/46/32/296364632.db2.gz LKOVXCGCROOHDO-MOPGFXCFSA-N 1 3 316.493 2.808 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1(CCO)CCCCC1 ZINC000423001538 296365929 /nfs/dbraw/zinc/36/59/29/296365929.db2.gz DVJAYUCWECDAKK-WMZOPIPTSA-N 1 3 304.478 2.867 20 0 DFADHO COc1ccc(OC)c(CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423009334 296367153 /nfs/dbraw/zinc/36/71/53/296367153.db2.gz CRGLSHSCQYMULN-XYPWUTKMSA-N 1 3 304.434 2.509 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc(COCC(F)(F)F)c1 ZINC000423004402 296366346 /nfs/dbraw/zinc/36/63/46/296366346.db2.gz OXEDTOYVGZYURW-NEPJUHHUSA-N 1 3 304.356 2.981 20 0 DFADHO COc1ccc(OC)c(CCC[NH2+][C@@H]2CCNCC[C@H]2C)c1 ZINC000423009039 296366899 /nfs/dbraw/zinc/36/68/99/296366899.db2.gz BSHUKZSFPZHVQJ-RHSMWYFYSA-N 1 3 306.450 2.614 20 0 DFADHO Fc1ccccc1N1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423010241 296366941 /nfs/dbraw/zinc/36/69/41/296366941.db2.gz FZFVXFVZRIJUSO-IUOOZAAYSA-N 1 3 303.425 2.667 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423014046 296367645 /nfs/dbraw/zinc/36/76/45/296367645.db2.gz NYUBGJBYJBBNOO-UXLLHSPISA-N 1 3 305.441 2.902 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000423014046 296367646 /nfs/dbraw/zinc/36/76/46/296367646.db2.gz NYUBGJBYJBBNOO-UXLLHSPISA-N 1 3 305.441 2.902 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423014047 296367672 /nfs/dbraw/zinc/36/76/72/296367672.db2.gz NYUBGJBYJBBNOO-YQQAZPJKSA-N 1 3 305.441 2.902 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCCN(c2ccccc2F)C1 ZINC000423014047 296367673 /nfs/dbraw/zinc/36/76/73/296367673.db2.gz NYUBGJBYJBBNOO-YQQAZPJKSA-N 1 3 305.441 2.902 20 0 DFADHO COc1ccc(OC)c(CCC[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000423018794 296368510 /nfs/dbraw/zinc/36/85/10/296368510.db2.gz ZTRJGFJGNWQLND-DOTOQJQBSA-N 1 3 306.450 2.744 20 0 DFADHO COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423034909 296370127 /nfs/dbraw/zinc/37/01/27/296370127.db2.gz QQVVPTGDKNSVJI-HIFRSBDPSA-N 1 3 317.433 2.740 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2ccccc2Cl)CC1 ZINC000423028910 296369716 /nfs/dbraw/zinc/36/97/16/296369716.db2.gz TYQHOLTTZIDOOU-XEZPLFJOSA-N 1 3 308.853 2.714 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423028910 296369718 /nfs/dbraw/zinc/36/97/18/296369718.db2.gz TYQHOLTTZIDOOU-XEZPLFJOSA-N 1 3 308.853 2.714 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000423043966 296371223 /nfs/dbraw/zinc/37/12/23/296371223.db2.gz QGLYXVAQBJTVLV-HKUYNNGSSA-N 1 3 320.477 2.588 20 0 DFADHO Cn1nc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423050622 296371929 /nfs/dbraw/zinc/37/19/29/296371929.db2.gz LORDGWZJBWWEAD-DJIMGWMZSA-N 1 3 312.461 2.626 20 0 DFADHO COc1ccccc1[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])OC(C)C ZINC000423053413 296372551 /nfs/dbraw/zinc/37/25/51/296372551.db2.gz RZPXXQSBPWJHIF-HFTRVMKXSA-N 1 3 306.450 2.878 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423050024 296372201 /nfs/dbraw/zinc/37/22/01/296372201.db2.gz LBKYWULSYRZNOE-RRFJBIMHSA-N 1 3 315.383 2.778 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)c1cccc(C(F)(F)F)c1 ZINC000423050024 296372203 /nfs/dbraw/zinc/37/22/03/296372203.db2.gz LBKYWULSYRZNOE-RRFJBIMHSA-N 1 3 315.383 2.778 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](c1ccccc1)C(F)(F)F ZINC000423066594 296374009 /nfs/dbraw/zinc/37/40/09/296374009.db2.gz XJIGQQVCDZUHEY-CYUUQNCZSA-N 1 3 316.367 2.674 20 0 DFADHO CCOC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000423074495 296375231 /nfs/dbraw/zinc/37/52/31/296375231.db2.gz UVGOMFUMWIAKDE-ZIFCJYIRSA-N 1 3 318.461 2.893 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCOCC(F)(F)C(F)F ZINC000423073599 296375357 /nfs/dbraw/zinc/37/53/57/296375357.db2.gz JFGQHOAHEGGOMZ-RYUDHWBXSA-N 1 3 314.367 2.804 20 0 DFADHO CCCOc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c(C)c1 ZINC000423076156 296375572 /nfs/dbraw/zinc/37/55/72/296375572.db2.gz YGSUWTJQRGZRSL-ZTFGCOKTSA-N 1 3 306.450 2.626 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCN1CCCC(C)(C)C1 ZINC000423085239 296376523 /nfs/dbraw/zinc/37/65/23/296376523.db2.gz JMLXNFXWLMLNNH-FUHWJXTLSA-N 1 3 303.494 2.657 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CCCC(C)(C)C1 ZINC000423085239 296376525 /nfs/dbraw/zinc/37/65/25/296376525.db2.gz JMLXNFXWLMLNNH-FUHWJXTLSA-N 1 3 303.494 2.657 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000423082559 296376431 /nfs/dbraw/zinc/37/64/31/296376431.db2.gz DLBKSICJMHZKHB-GUYCJALGSA-N 1 3 304.482 2.620 20 0 DFADHO FC(F)(F)c1ccc(OCCCN[C@@H]2CCC[NH2+]CC2)nc1 ZINC000423083334 296376498 /nfs/dbraw/zinc/37/64/98/296376498.db2.gz YPRBWUFWGQQGMG-CYBMUJFWSA-N 1 3 317.355 2.601 20 0 DFADHO FC(F)(F)c1ccc(OCCC[NH2+][C@@H]2CCCNCC2)nc1 ZINC000423083334 296376499 /nfs/dbraw/zinc/37/64/99/296376499.db2.gz YPRBWUFWGQQGMG-CYBMUJFWSA-N 1 3 317.355 2.601 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000423097275 296377808 /nfs/dbraw/zinc/37/78/08/296377808.db2.gz QPCXPKFERQIBFY-TVFCKZIOSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@@H](CCCC[NH3+])NCc1ccncc1OCC(F)(F)F ZINC000423098398 296377865 /nfs/dbraw/zinc/37/78/65/296377865.db2.gz KUPYYRLYXXPJNI-NSHDSACASA-N 1 3 305.344 2.630 20 0 DFADHO CSc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423092436 296377444 /nfs/dbraw/zinc/37/74/44/296377444.db2.gz BWNUHVSCFLMODF-RCCFBDPRSA-N 1 3 320.502 2.698 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120051 399559124 /nfs/dbraw/zinc/55/91/24/399559124.db2.gz QKTPLWNSEULUJI-LSDHHAIUSA-N 1 3 321.440 2.864 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624120051 399559128 /nfs/dbraw/zinc/55/91/28/399559128.db2.gz QKTPLWNSEULUJI-LSDHHAIUSA-N 1 3 321.440 2.864 20 0 DFADHO CCOc1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1Cl ZINC000423098711 296378092 /nfs/dbraw/zinc/37/80/92/296378092.db2.gz DJUNPXLPMVAQPA-NJZAAPMLSA-N 1 3 312.841 2.581 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624120051 399559131 /nfs/dbraw/zinc/55/91/31/399559131.db2.gz QKTPLWNSEULUJI-LSDHHAIUSA-N 1 3 321.440 2.864 20 0 DFADHO C[C@@H]1CSC[C@@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423100896 296378144 /nfs/dbraw/zinc/37/81/44/296378144.db2.gz CCTFSVUYCNDVSW-VWNJHIHFSA-N 1 3 304.459 2.583 20 0 DFADHO CC1(C)SC[C@@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423113964 296380197 /nfs/dbraw/zinc/38/01/97/296380197.db2.gz ZLUNVQIFUYMFAG-JLJPHGGASA-N 1 3 304.459 2.726 20 0 DFADHO CCCN1CCC[C@H]1C[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000423112934 296380203 /nfs/dbraw/zinc/38/02/03/296380203.db2.gz SVQCTXDVZOTIMN-FHWLQOOXSA-N 1 3 301.478 2.944 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000624123037 399561245 /nfs/dbraw/zinc/56/12/45/399561245.db2.gz DOCXWJDIUDHIQA-HOTGVXAUSA-N 1 3 317.477 2.771 20 0 DFADHO COCCCOc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423114059 296380080 /nfs/dbraw/zinc/38/00/80/296380080.db2.gz ZVGMRBHWJDFUHP-FUHWJXTLSA-N 1 3 306.450 2.709 20 0 DFADHO Cc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc(N2CCCC2)n1 ZINC000423122425 296381287 /nfs/dbraw/zinc/38/12/87/296381287.db2.gz KRZDCBZFBFFJMG-DLBZAZTESA-N 1 3 302.466 2.597 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](CO)C1CCCCC1 ZINC000423131008 296382212 /nfs/dbraw/zinc/38/22/12/296382212.db2.gz HNDLQMABZSBUGB-CZUORRHYSA-N 1 3 305.466 2.688 20 0 DFADHO C=Cc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423125632 296381626 /nfs/dbraw/zinc/38/16/26/296381626.db2.gz APJYTXHXXFHCIV-GBESFXJTSA-N 1 3 300.446 2.619 20 0 DFADHO c1ccc2c(c1)CC1(CCOCC1)[C@@H]2NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423128044 296381953 /nfs/dbraw/zinc/38/19/53/296381953.db2.gz UTKRXQKQMGAARK-SUTQANCOSA-N 1 3 312.457 2.953 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423140983 296384003 /nfs/dbraw/zinc/38/40/03/296384003.db2.gz NLBSPXATIPQEDZ-HLLBOEOZSA-N 1 3 305.441 2.759 20 0 DFADHO CSc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)N(C)C)cc1 ZINC000423142921 296384254 /nfs/dbraw/zinc/38/42/54/296384254.db2.gz BQMWPMPDLUZPKV-JLSDUUJJSA-N 1 3 321.534 2.989 20 0 DFADHO Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)CC2)c(C)c1 ZINC000423147660 296385091 /nfs/dbraw/zinc/38/50/91/296385091.db2.gz SNYLSGYUPDVWRF-LZLYRXPVSA-N 1 3 302.462 2.677 20 0 DFADHO Cc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])CC2)c(C)c1 ZINC000423147660 296385093 /nfs/dbraw/zinc/38/50/93/296385093.db2.gz SNYLSGYUPDVWRF-LZLYRXPVSA-N 1 3 302.462 2.677 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CC3CCC(=O)CC3)CC2)C[C@@H](C)O1 ZINC000347744742 285156102 /nfs/dbraw/zinc/15/61/02/285156102.db2.gz HSUJEKCUTVKYFL-HZPDHXFCSA-N 1 3 322.493 2.567 20 0 DFADHO CC[C@H](C)[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)OC ZINC000423154779 296385768 /nfs/dbraw/zinc/38/57/68/296385768.db2.gz IJQHOZPMYOLMEO-CBVHJVASSA-N 1 3 318.461 2.893 20 0 DFADHO CC[C@H](C)[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)OC ZINC000423154780 296385803 /nfs/dbraw/zinc/38/58/03/296385803.db2.gz IJQHOZPMYOLMEO-FXECBMLZSA-N 1 3 318.461 2.893 20 0 DFADHO CCO[C@@H]1CCC[C@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423160792 296386533 /nfs/dbraw/zinc/38/65/33/296386533.db2.gz HWDOYYQUDRIXJD-RWQQGDIJSA-N 1 3 316.445 2.790 20 0 DFADHO C[C@H]1CC[NH2+]C[C@H]1NCC1(N(C)Cc2ccccc2)CCC1 ZINC000423159218 296386557 /nfs/dbraw/zinc/38/65/57/296386557.db2.gz XPHNFAPQXWUYEB-FUHWJXTLSA-N 1 3 301.478 2.629 20 0 DFADHO COc1ccc([C@H](CO)CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000423171506 296387805 /nfs/dbraw/zinc/38/78/05/296387805.db2.gz ORZWKLAPPVXACC-NJAFHUGGSA-N 1 3 320.477 2.672 20 0 DFADHO CC1(C)CCCN1CC[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000423169242 296387840 /nfs/dbraw/zinc/38/78/40/296387840.db2.gz VVIUBXAQFPMPKR-ROUUACIJSA-N 1 3 301.478 2.944 20 0 DFADHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]C2CCNCC2)cc1 ZINC000423176448 296388655 /nfs/dbraw/zinc/38/86/55/296388655.db2.gz CKBJCKHHOXAPRW-LJQANCHMSA-N 1 3 311.429 2.716 20 0 DFADHO C[NH2+]CCCN[C@H](Cc1ccccc1Br)C1CC1 ZINC000423198892 296391478 /nfs/dbraw/zinc/39/14/78/296391478.db2.gz INXLLHYHJGJBBP-OAHLLOKOSA-N 1 3 311.267 2.969 20 0 DFADHO CNCCC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423198892 296391479 /nfs/dbraw/zinc/39/14/79/296391479.db2.gz INXLLHYHJGJBBP-OAHLLOKOSA-N 1 3 311.267 2.969 20 0 DFADHO CCc1c2ccccc2oc1[C@H](C)NCCN1CC[NH2+]CC1 ZINC000423203190 296392267 /nfs/dbraw/zinc/39/22/67/296392267.db2.gz MKOSJOYYHJVDJY-AWEZNQCLSA-N 1 3 301.434 2.551 20 0 DFADHO Cc1ccccc1[C@@H](NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000423207704 296392592 /nfs/dbraw/zinc/39/25/92/296392592.db2.gz SBTRZKLUFHFWGB-FQEVSTJZSA-N 1 3 309.457 2.579 20 0 DFADHO Cc1ccc([C@H](NCCN2CC[NH2+]CC2)c2ccccc2)c(C)c1 ZINC000423211446 296392836 /nfs/dbraw/zinc/39/28/36/296392836.db2.gz YEQKMIAGAZQCLR-OAQYLSRUSA-N 1 3 323.484 2.888 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCCNC2)c(C)c1OC ZINC000423212350 296393053 /nfs/dbraw/zinc/39/30/53/296393053.db2.gz IFOYKFCNFATPGB-QRTARXTBSA-N 1 3 320.477 2.921 20 0 DFADHO Fc1ccc(N2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c(F)c1 ZINC000423219352 296393679 /nfs/dbraw/zinc/39/36/79/296393679.db2.gz WEXWNVWLZSKAEE-XYPWUTKMSA-N 1 3 321.415 2.806 20 0 DFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000156942940 197152184 /nfs/dbraw/zinc/15/21/84/197152184.db2.gz HDVCFTCWGBJLKN-OFQRWUPVSA-N 1 3 317.433 2.777 20 0 DFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000156942940 197152185 /nfs/dbraw/zinc/15/21/85/197152185.db2.gz HDVCFTCWGBJLKN-OFQRWUPVSA-N 1 3 317.433 2.777 20 0 DFADHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423247712 296396959 /nfs/dbraw/zinc/39/69/59/296396959.db2.gz LPMCHYAOCQWGMT-NWDGAFQWSA-N 1 3 306.841 2.877 20 0 DFADHO Cc1ccc(-c2ncc(CNCCOCCC[NH3+])s2)cc1 ZINC000629400510 399593360 /nfs/dbraw/zinc/59/33/60/399593360.db2.gz ZRAHKIDYTUACID-UHFFFAOYSA-N 1 3 305.447 2.574 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCC[C@@H]2CN)cc1OC ZINC000423270276 296399131 /nfs/dbraw/zinc/39/91/31/296399131.db2.gz IAGDNKYWVCPEIL-LZWOXQAQSA-N 1 3 306.450 2.660 20 0 DFADHO CCCC1CCC(CNCc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000629407032 399595314 /nfs/dbraw/zinc/59/53/14/399595314.db2.gz VUKFXNQATYZMDL-VMBOVVBDSA-N 1 3 305.470 2.509 20 0 DFADHO CC(C)(C)[C@@H]1CCC[C@@H](NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000629405745 399595461 /nfs/dbraw/zinc/59/54/61/399595461.db2.gz MJFZFROSVPOWET-BFYDXBDKSA-N 1 3 319.497 2.897 20 0 DFADHO [NH3+]CCCOCCNCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000629399513 399594019 /nfs/dbraw/zinc/59/40/19/399594019.db2.gz SODXTTPIARGQRG-UHFFFAOYSA-N 1 3 310.747 2.814 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(C)c(O)c(C)c2)C1 ZINC000347860771 285213690 /nfs/dbraw/zinc/21/36/90/285213690.db2.gz JZKIQNRGSZKIHQ-GOSISDBHSA-N 1 3 320.477 2.942 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)NCc2cccc(CN(C)C)c2)cc1 ZINC000423323894 296404562 /nfs/dbraw/zinc/40/45/62/296404562.db2.gz PDEVFGYBISDNCN-CQSZACIVSA-N 1 3 311.429 2.698 20 0 DFADHO C[C@@H](CNC(=O)C(C)(C)[C@H](N)c1ccccc1)C[NH+]1CCCC1 ZINC000423336317 296406078 /nfs/dbraw/zinc/40/60/78/296406078.db2.gz GRDFMTBCRRHBTF-DOTOQJQBSA-N 1 3 317.477 2.561 20 0 DFADHO C[C@@H]1C[C@@H](C[NH2+]CC2=CCCOC2)CN1Cc1ccccc1 ZINC000120356140 195149938 /nfs/dbraw/zinc/14/99/38/195149938.db2.gz IBYUHPCGALODIJ-APWZRJJASA-N 1 3 300.446 2.833 20 0 DFADHO C[C@@H]1C[C@@H](CNCC2=CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000120356140 195149940 /nfs/dbraw/zinc/14/99/40/195149940.db2.gz IBYUHPCGALODIJ-APWZRJJASA-N 1 3 300.446 2.833 20 0 DFADHO C[C@@H]1C[C@@H](CNCC2=CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000120356140 195149941 /nfs/dbraw/zinc/14/99/41/195149941.db2.gz IBYUHPCGALODIJ-APWZRJJASA-N 1 3 300.446 2.833 20 0 DFADHO OC(CN1CCC[C@H]2CCC[C@@H]21)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000181800992 285231986 /nfs/dbraw/zinc/23/19/86/285231986.db2.gz UKVPWJUNWRTQRK-IAFBMDFESA-N 1 3 306.494 2.876 20 0 DFADHO OC(CN1CCC[C@H]2CCC[C@@H]21)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000181800992 285231993 /nfs/dbraw/zinc/23/19/93/285231993.db2.gz UKVPWJUNWRTQRK-IAFBMDFESA-N 1 3 306.494 2.876 20 0 DFADHO OC(CN1CCC[C@@H]2CCC[C@H]21)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000181800992 285231995 /nfs/dbraw/zinc/23/19/95/285231995.db2.gz UKVPWJUNWRTQRK-IAFBMDFESA-N 1 3 306.494 2.876 20 0 DFADHO OC(CN1CCC[C@@H]2CCC[C@H]21)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000181800992 285231998 /nfs/dbraw/zinc/23/19/98/285231998.db2.gz UKVPWJUNWRTQRK-IAFBMDFESA-N 1 3 306.494 2.876 20 0 DFADHO Cc1cc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cs1 ZINC000423376150 296410270 /nfs/dbraw/zinc/41/02/70/296410270.db2.gz AQRJTZXHGCQUEA-DGCLKSJQSA-N 1 3 321.412 2.543 20 0 DFADHO C[C@H]1CNCC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423387081 296411428 /nfs/dbraw/zinc/41/14/28/296411428.db2.gz HMFAEYLWNOUMNO-BLLLJJGKSA-N 1 3 309.404 2.521 20 0 DFADHO CCCN(CCC[NH+](C)C)C(=O)[C@H](C(C)C)N1CCCCC1 ZINC000347914952 285242065 /nfs/dbraw/zinc/24/20/65/285242065.db2.gz OFCAJHLVWCNUJI-KRWDZBQOSA-N 1 3 311.514 2.687 20 0 DFADHO COCC1(CN[C@@H]2CCc3c2c(F)ccc3F)CC[NH2+]CC1 ZINC000423413172 296414594 /nfs/dbraw/zinc/41/45/94/296414594.db2.gz YLOHBFPNSYFAKH-OAHLLOKOSA-N 1 3 310.388 2.558 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000357221103 285246766 /nfs/dbraw/zinc/24/67/66/285246766.db2.gz QMJFTFXXQSTSFO-RCCFBDPRSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000357221103 285246769 /nfs/dbraw/zinc/24/67/69/285246769.db2.gz QMJFTFXXQSTSFO-RCCFBDPRSA-N 1 3 323.525 2.687 20 0 DFADHO c1ccc([C@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cncnc2)cc1 ZINC000423433364 296416200 /nfs/dbraw/zinc/41/62/00/296416200.db2.gz JQHYSULQOATKHS-OTWHNJEPSA-N 1 3 308.429 2.544 20 0 DFADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2NCCCC2(C)C)CC1 ZINC000423438906 296416643 /nfs/dbraw/zinc/41/66/43/296416643.db2.gz VSNZZKDBXLFFGD-KRWDZBQOSA-N 1 3 323.525 2.639 20 0 DFADHO C[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)c1ncc(Br)s1 ZINC000423492247 296421633 /nfs/dbraw/zinc/42/16/33/296421633.db2.gz MIHLKXXPKGXSJW-YIZRAAEISA-N 1 3 304.257 2.684 20 0 DFADHO C[C@H](NCc1ccc[nH]c1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000624258391 399617308 /nfs/dbraw/zinc/61/73/08/399617308.db2.gz IQNSECFSPWKCAL-AWEZNQCLSA-N 1 3 315.417 2.578 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)CC(C)C ZINC000361213551 285280656 /nfs/dbraw/zinc/28/06/56/285280656.db2.gz QWLCYTPHUOYVFZ-SJORKVTESA-N 1 3 311.514 2.543 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)CC(C)C ZINC000361213551 285280657 /nfs/dbraw/zinc/28/06/57/285280657.db2.gz QWLCYTPHUOYVFZ-SJORKVTESA-N 1 3 311.514 2.543 20 0 DFADHO Cc1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000289500633 221021902 /nfs/dbraw/zinc/02/19/02/221021902.db2.gz SUYUGMLTVPZYFZ-UHFFFAOYSA-N 1 3 303.494 2.761 20 0 DFADHO Cc1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000289500633 221021904 /nfs/dbraw/zinc/02/19/04/221021904.db2.gz SUYUGMLTVPZYFZ-UHFFFAOYSA-N 1 3 303.494 2.761 20 0 DFADHO CN(C/C=C/c1ccc(F)cc1)CCN(C)C1CC[NH+](C)CC1 ZINC000289525836 221040660 /nfs/dbraw/zinc/04/06/60/221040660.db2.gz VTWIROAUKPUADF-SNAWJCMRSA-N 1 3 319.468 2.797 20 0 DFADHO Cc1cccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c1C ZINC000289552760 221060581 /nfs/dbraw/zinc/06/05/81/221060581.db2.gz XVBGBVKSSCFZIF-UHFFFAOYSA-N 1 3 303.494 2.761 20 0 DFADHO Cc1cccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c1C ZINC000289552760 221060582 /nfs/dbraw/zinc/06/05/82/221060582.db2.gz XVBGBVKSSCFZIF-UHFFFAOYSA-N 1 3 303.494 2.761 20 0 DFADHO Cc1cc2c(cc1C)[C@@H]([NH2+]CC1(N)CCOCC1)CCS2 ZINC000629520391 399634195 /nfs/dbraw/zinc/63/41/95/399634195.db2.gz KXTCAUHVDIRSGK-HNNXBMFYSA-N 1 3 306.475 2.938 20 0 DFADHO NC1(C[NH2+][C@@H](C[C@@H]2CCCO2)c2ccc(F)cc2)CCOCC1 ZINC000629519888 399634224 /nfs/dbraw/zinc/63/42/24/399634224.db2.gz IMRUVGJGBRNCHH-IRXDYDNUSA-N 1 3 322.424 2.533 20 0 DFADHO CC(C)CC[C@H](CO)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629525191 399635024 /nfs/dbraw/zinc/63/50/24/399635024.db2.gz WOUUPNSZFNDSQY-AYBZRNKSSA-N 1 3 318.461 2.629 20 0 DFADHO CC(C)CC[C@H](CO)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629525196 399635575 /nfs/dbraw/zinc/63/55/75/399635575.db2.gz WOUUPNSZFNDSQY-HHXXYDBFSA-N 1 3 318.461 2.629 20 0 DFADHO C[C@@H](NCC1([NH3+])CCOCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000629522024 399635719 /nfs/dbraw/zinc/63/57/19/399635719.db2.gz VKIMRVCNWRGSJI-GRYCIOLGSA-N 1 3 314.882 2.991 20 0 DFADHO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc(N2CCCC2)n1 ZINC000289913243 221311437 /nfs/dbraw/zinc/31/14/37/221311437.db2.gz ULWOUUMEPICEKU-QGPMSJSTSA-N 1 3 316.493 2.809 20 0 DFADHO CC[C@@H](NCCOCCC[NH3+])c1ccc(Br)cc1 ZINC000629535686 399638732 /nfs/dbraw/zinc/63/87/32/399638732.db2.gz CYKKENUETFXIDQ-CQSZACIVSA-N 1 3 315.255 2.855 20 0 DFADHO CCOc1cccc2cc([C@@H](C)NCCOCCC[NH3+])oc21 ZINC000629540566 399640680 /nfs/dbraw/zinc/64/06/80/399640680.db2.gz VXDRKJAVDLJGBW-CYBMUJFWSA-N 1 3 306.406 2.848 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000290033334 221391920 /nfs/dbraw/zinc/39/19/20/221391920.db2.gz RYWUOLXITCUBGK-SJORKVTESA-N 1 3 303.450 2.855 20 0 DFADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NCCOCCC[NH3+] ZINC000629541483 399641617 /nfs/dbraw/zinc/64/16/17/399641617.db2.gz PGQSYOHEYBIXPV-GFCCVEGCSA-N 1 3 320.462 2.530 20 0 DFADHO CC(C)[C@H](CNC[C@H](O)C[NH+]1CCCC1)Cc1ccccc1 ZINC000629576634 399653357 /nfs/dbraw/zinc/65/33/57/399653357.db2.gz NVHPMRAAIIBUNI-OALUTQOASA-N 1 3 304.478 2.548 20 0 DFADHO O[C@H](CNCC1(Cc2cccc(Cl)c2)CC1)C[NH+]1CCCC1 ZINC000629580028 399653630 /nfs/dbraw/zinc/65/36/30/399653630.db2.gz KTLYXKIWAKDQLJ-QGZVFWFLSA-N 1 3 322.880 2.709 20 0 DFADHO CC(C)[C@@H]1C[C@@H](CNC[C@@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000629578347 399654094 /nfs/dbraw/zinc/65/40/94/399654094.db2.gz AWPGKMQSVNKCRP-QKLQHJQFSA-N 1 3 316.489 2.960 20 0 DFADHO c1ccc(SCCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000629590450 399657961 /nfs/dbraw/zinc/65/79/61/399657961.db2.gz AXWNLCLAKCTPCK-QGZVFWFLSA-N 1 3 320.502 2.869 20 0 DFADHO CN(C)CCC[N@H+](C)CCNc1cnc2cc(Cl)ccc2n1 ZINC000624392307 399661859 /nfs/dbraw/zinc/66/18/59/399661859.db2.gz OKNXJOPEHOQBJT-UHFFFAOYSA-N 1 3 321.856 2.579 20 0 DFADHO CN(C)CCC[N@@H+](C)CCNc1cnc2cc(Cl)ccc2n1 ZINC000624392307 399661860 /nfs/dbraw/zinc/66/18/60/399661860.db2.gz OKNXJOPEHOQBJT-UHFFFAOYSA-N 1 3 321.856 2.579 20 0 DFADHO c1c(CNC2CCC3(CCCCC3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC000629549595 399643675 /nfs/dbraw/zinc/64/36/75/399643675.db2.gz KEGVJNWMCZKLAD-KRWDZBQOSA-N 1 3 317.481 2.795 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629547016 399643960 /nfs/dbraw/zinc/64/39/60/399643960.db2.gz RNXMENKFQLJPSE-WHOFXGATSA-N 1 3 311.832 2.775 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629547016 399643963 /nfs/dbraw/zinc/64/39/63/399643963.db2.gz RNXMENKFQLJPSE-WHOFXGATSA-N 1 3 311.832 2.775 20 0 DFADHO Fc1ccc([C@@H]2CCCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1F ZINC000629552068 399645411 /nfs/dbraw/zinc/64/54/11/399645411.db2.gz ZPRVYHZYLASUSB-CABCVRRESA-N 1 3 322.399 2.665 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1CC(F)(F)F ZINC000629555294 399646414 /nfs/dbraw/zinc/64/64/14/399646414.db2.gz UKICLNMAPVUUPR-TUKIKUTGSA-N 1 3 316.367 2.633 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556503 399648318 /nfs/dbraw/zinc/64/83/18/399648318.db2.gz RAZUDFLRQPVIIO-SGIREYDYSA-N 1 3 321.852 2.706 20 0 DFADHO CCC(CC)(CNC[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000629566072 399652579 /nfs/dbraw/zinc/65/25/79/399652579.db2.gz SAWHUIDOVSLRJJ-SFHVURJKSA-N 1 3 304.478 2.791 20 0 DFADHO c1nc(C2CC2)c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000629673540 399685316 /nfs/dbraw/zinc/68/53/16/399685316.db2.gz UKQQHAIQUVWFKZ-HNNXBMFYSA-N 1 3 321.490 2.611 20 0 DFADHO C[NH2+]CCOCCN(C)Cc1ccc2cc(OC)ccc2c1 ZINC000629652179 399676308 /nfs/dbraw/zinc/67/63/08/399676308.db2.gz CCDUGORTLSLGFJ-UHFFFAOYSA-N 1 3 302.418 2.516 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN[C@H](C(C)C)C2)cc1 ZINC000621150773 399698375 /nfs/dbraw/zinc/69/83/75/399698375.db2.gz MVKHCNPIOSSTMO-SFHVURJKSA-N 1 3 317.477 2.598 20 0 DFADHO C[NH2+]CCc1cccc(-c2ccccc2CN2CCN(C)CC2)c1 ZINC000629735686 399707400 /nfs/dbraw/zinc/70/74/00/399707400.db2.gz CXJKUFPLERYLPE-UHFFFAOYSA-N 1 3 323.484 2.863 20 0 DFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000294958228 224338687 /nfs/dbraw/zinc/33/86/87/224338687.db2.gz FSURDUQFUZZFMI-QGZVFWFLSA-N 1 3 317.477 2.646 20 0 DFADHO COC1(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000090650854 542537872 /nfs/dbraw/zinc/53/78/72/542537872.db2.gz DNVNYMCDDUCCIK-FUHWJXTLSA-N 1 3 324.509 2.815 20 0 DFADHO COC1(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000090650854 542537877 /nfs/dbraw/zinc/53/78/77/542537877.db2.gz DNVNYMCDDUCCIK-FUHWJXTLSA-N 1 3 324.509 2.815 20 0 DFADHO CCC[NH+]1CCC(N[C@@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000348085776 285336931 /nfs/dbraw/zinc/33/69/31/285336931.db2.gz MXISVAADMVMYCL-HNNXBMFYSA-N 1 3 313.449 2.792 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000617504792 399720948 /nfs/dbraw/zinc/72/09/48/399720948.db2.gz KMFQIPWMYOBVNS-ULQDDVLXSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000617504792 399720952 /nfs/dbraw/zinc/72/09/52/399720952.db2.gz KMFQIPWMYOBVNS-ULQDDVLXSA-N 1 3 311.514 2.591 20 0 DFADHO CN1CCC[N@H+](CCCNCc2cc(Cl)ccc2F)CC1 ZINC000119096088 542570755 /nfs/dbraw/zinc/57/07/55/542570755.db2.gz OUDNGOHVTZNPIM-UHFFFAOYSA-N 1 3 313.848 2.596 20 0 DFADHO CN1CCC[N@@H+](CCCNCc2cc(Cl)ccc2F)CC1 ZINC000119096088 542570759 /nfs/dbraw/zinc/57/07/59/542570759.db2.gz OUDNGOHVTZNPIM-UHFFFAOYSA-N 1 3 313.848 2.596 20 0 DFADHO C[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000121913122 195373083 /nfs/dbraw/zinc/37/30/83/195373083.db2.gz YGZBOKXTWWVPAX-XHSDSOJGSA-N 1 3 309.498 2.628 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000052209218 425884147 /nfs/dbraw/zinc/88/41/47/425884147.db2.gz VCBLGOQZEPPEJJ-QGZVFWFLSA-N 1 3 314.514 2.606 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000052209218 425884148 /nfs/dbraw/zinc/88/41/48/425884148.db2.gz VCBLGOQZEPPEJJ-QGZVFWFLSA-N 1 3 314.514 2.606 20 0 DFADHO COCCCOc1cccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292826073 533296415 /nfs/dbraw/zinc/29/64/15/533296415.db2.gz QMQYEFAFMRLEHH-LJQANCHMSA-N 1 3 318.461 2.630 20 0 DFADHO COCCCOc1cccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292826073 533296420 /nfs/dbraw/zinc/29/64/20/533296420.db2.gz QMQYEFAFMRLEHH-LJQANCHMSA-N 1 3 318.461 2.630 20 0 DFADHO CCCC[N@H+](C)CC1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000052209304 425884173 /nfs/dbraw/zinc/88/41/73/425884173.db2.gz PHLVFWLYVCKBKK-UHFFFAOYSA-N 1 3 317.477 2.729 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000296654700 533524369 /nfs/dbraw/zinc/52/43/69/533524369.db2.gz ZEFFHVNVGFXLLJ-RHSMWYFYSA-N 1 3 306.450 2.845 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000052209304 425884174 /nfs/dbraw/zinc/88/41/74/425884174.db2.gz PHLVFWLYVCKBKK-UHFFFAOYSA-N 1 3 317.477 2.729 20 0 DFADHO OC(CN1CCCC2(CC2)CC1)C[N@@H+]1CCCC2(CC2)CC1 ZINC000626114744 399759011 /nfs/dbraw/zinc/75/90/11/399759011.db2.gz QVFNTCDDWRYRLB-UHFFFAOYSA-N 1 3 306.494 2.880 20 0 DFADHO OC(CN1CCCC2(CC2)CC1)C[N@H+]1CCCC2(CC2)CC1 ZINC000626114744 399759013 /nfs/dbraw/zinc/75/90/13/399759013.db2.gz QVFNTCDDWRYRLB-UHFFFAOYSA-N 1 3 306.494 2.880 20 0 DFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CN(C)C1CCC1 ZINC000629948652 399764546 /nfs/dbraw/zinc/76/45/46/399764546.db2.gz KVWCGAQOTIBCOC-UHFFFAOYSA-N 1 3 317.477 2.627 20 0 DFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CN(C)C1CCC1 ZINC000629948652 399764550 /nfs/dbraw/zinc/76/45/50/399764550.db2.gz KVWCGAQOTIBCOC-UHFFFAOYSA-N 1 3 317.477 2.627 20 0 DFADHO CN(CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCC1 ZINC000629958932 399769014 /nfs/dbraw/zinc/76/90/14/399769014.db2.gz XSHCILDECUCPAO-QGZVFWFLSA-N 1 3 321.509 2.585 20 0 DFADHO c1ccc(CN2CCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166614343 542751340 /nfs/dbraw/zinc/75/13/40/542751340.db2.gz YUTWNLHHIUMKSL-VAMGGRTRSA-N 1 3 313.489 2.867 20 0 DFADHO c1ccc(CN2CCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166614343 542751345 /nfs/dbraw/zinc/75/13/45/542751345.db2.gz YUTWNLHHIUMKSL-VAMGGRTRSA-N 1 3 313.489 2.867 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000166379052 542751821 /nfs/dbraw/zinc/75/18/21/542751821.db2.gz XQDDZUUQCGYJLC-QRVBRYPASA-N 1 3 301.478 2.814 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000166379052 542751823 /nfs/dbraw/zinc/75/18/23/542751823.db2.gz XQDDZUUQCGYJLC-QRVBRYPASA-N 1 3 301.478 2.814 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000166348471 542752126 /nfs/dbraw/zinc/75/21/26/542752126.db2.gz WKAFWRKEDBBEJF-NSISKUIASA-N 1 3 313.489 2.650 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000166348471 542752130 /nfs/dbraw/zinc/75/21/30/542752130.db2.gz WKAFWRKEDBBEJF-NSISKUIASA-N 1 3 313.489 2.650 20 0 DFADHO CC(C)[NH2+]CCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000167541159 542753293 /nfs/dbraw/zinc/75/32/93/542753293.db2.gz LWFQCDFMOTZHNJ-SJLPKXTDSA-N 1 3 317.477 2.544 20 0 DFADHO c1nc2ccccn2c1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192924602 542854634 /nfs/dbraw/zinc/85/46/34/542854634.db2.gz SAYJZYSZGDMNGK-GOSISDBHSA-N 1 3 320.440 2.946 20 0 DFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000236848600 542898448 /nfs/dbraw/zinc/89/84/48/542898448.db2.gz YIRSGLTVQPZIJL-FGTMMUONSA-N 1 3 315.461 2.552 20 0 DFADHO C[C@H]1C[N@H+](CCCN[C@H]2CCc3ccc(F)cc32)CCCO1 ZINC000278444796 542982325 /nfs/dbraw/zinc/98/23/25/542982325.db2.gz HUYOHVUEWMIQKR-KSSFIOAISA-N 1 3 306.425 2.904 20 0 DFADHO C[C@H]1C[N@@H+](CCCN[C@H]2CCc3ccc(F)cc32)CCCO1 ZINC000278444796 542982327 /nfs/dbraw/zinc/98/23/27/542982327.db2.gz HUYOHVUEWMIQKR-KSSFIOAISA-N 1 3 306.425 2.904 20 0 DFADHO Cc1cccc2c1ncc(C)c2N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424412609 296507797 /nfs/dbraw/zinc/50/77/97/296507797.db2.gz NLGJJQKUVWRNHJ-DLBZAZTESA-N 1 3 321.428 2.516 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000424446638 296510060 /nfs/dbraw/zinc/51/00/60/296510060.db2.gz SAURYFYETHKFDO-OAHLLOKOSA-N 1 3 318.465 2.697 20 0 DFADHO OC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCCC1 ZINC000305881537 543063298 /nfs/dbraw/zinc/06/32/98/543063298.db2.gz VHBHUKFDBPXINI-IPMKNSEASA-N 1 3 314.473 2.792 20 0 DFADHO C[C@@H](Nc1cccc(OCCN(C)C)c1)C1CC[NH+](C)CC1 ZINC000315955546 543073105 /nfs/dbraw/zinc/07/31/05/543073105.db2.gz ZCFNAXICXQRVHU-OAHLLOKOSA-N 1 3 305.466 2.769 20 0 DFADHO C[C@@H](CCc1ccccc1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388511 399843468 /nfs/dbraw/zinc/84/34/68/399843468.db2.gz HYEHFSULIOJPIM-AZUAARDMSA-N 1 3 315.505 2.720 20 0 DFADHO C[C@@H](CCc1ccccc1)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388511 399843471 /nfs/dbraw/zinc/84/34/71/399843471.db2.gz HYEHFSULIOJPIM-AZUAARDMSA-N 1 3 315.505 2.720 20 0 DFADHO CCCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000328264105 543096236 /nfs/dbraw/zinc/09/62/36/543096236.db2.gz NUVIVHHSGYSDOX-SXLOBPIMSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(CN(C)C)c1 ZINC000339244663 543142107 /nfs/dbraw/zinc/14/21/07/543142107.db2.gz ALYUCHPKGPSZQE-OAHLLOKOSA-N 1 3 303.450 2.951 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(CN(C)C)c1 ZINC000339244663 543142109 /nfs/dbraw/zinc/14/21/09/543142109.db2.gz ALYUCHPKGPSZQE-OAHLLOKOSA-N 1 3 303.450 2.951 20 0 DFADHO COC1(C)CCN(CC[C@@H](C)[NH+]2CCC(C)(OC)CC2)CC1 ZINC000342180131 543161724 /nfs/dbraw/zinc/16/17/24/543161724.db2.gz OOTXLNCNVBJCLE-MRXNPFEDSA-N 1 3 312.498 2.767 20 0 DFADHO COC1(C)CCN([C@H](C)CC[NH+]2CCC(C)(OC)CC2)CC1 ZINC000342180131 543161728 /nfs/dbraw/zinc/16/17/28/543161728.db2.gz OOTXLNCNVBJCLE-MRXNPFEDSA-N 1 3 312.498 2.767 20 0 DFADHO C[C@H](CC[N@H+](C)CC[C@@H]1CCCO1)N(C)CC[C@H]1CCCO1 ZINC000342592193 543163348 /nfs/dbraw/zinc/16/33/48/543163348.db2.gz NWZKLVKQWVQUSR-FGTMMUONSA-N 1 3 312.498 2.767 20 0 DFADHO C[C@H](CC[N@@H+](C)CC[C@@H]1CCCO1)N(C)CC[C@H]1CCCO1 ZINC000342592193 543163350 /nfs/dbraw/zinc/16/33/50/543163350.db2.gz NWZKLVKQWVQUSR-FGTMMUONSA-N 1 3 312.498 2.767 20 0 DFADHO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000353497495 543235822 /nfs/dbraw/zinc/23/58/22/543235822.db2.gz OTRHKQMCGIYENJ-ZWKOTPCHSA-N 1 3 317.477 2.502 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000352241163 543228514 /nfs/dbraw/zinc/22/85/14/543228514.db2.gz LEEDOXARLVEKCJ-IPMKNSEASA-N 1 3 302.462 2.569 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000352241163 543228518 /nfs/dbraw/zinc/22/85/18/543228518.db2.gz LEEDOXARLVEKCJ-IPMKNSEASA-N 1 3 302.462 2.569 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000352241163 543228519 /nfs/dbraw/zinc/22/85/19/543228519.db2.gz LEEDOXARLVEKCJ-IPMKNSEASA-N 1 3 302.462 2.569 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000352241163 543228523 /nfs/dbraw/zinc/22/85/23/543228523.db2.gz LEEDOXARLVEKCJ-IPMKNSEASA-N 1 3 302.462 2.569 20 0 DFADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000353676223 543237829 /nfs/dbraw/zinc/23/78/29/543237829.db2.gz WCGTVOYODJAQSU-FHWLQOOXSA-N 1 3 302.462 2.777 20 0 DFADHO COc1cc2c(cc1OC)[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000358758337 543269073 /nfs/dbraw/zinc/26/90/73/543269073.db2.gz SELUSGCKKRCWIK-JGGQBBKZSA-N 1 3 304.434 2.763 20 0 DFADHO COc1cc2c(cc1OC)[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000358758337 543269076 /nfs/dbraw/zinc/26/90/76/543269076.db2.gz SELUSGCKKRCWIK-JGGQBBKZSA-N 1 3 304.434 2.763 20 0 DFADHO COc1cc2c(cc1OC)[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000358758335 543269102 /nfs/dbraw/zinc/26/91/02/543269102.db2.gz SELUSGCKKRCWIK-DUVNUKRYSA-N 1 3 304.434 2.763 20 0 DFADHO COc1cc2c(cc1OC)[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000358758335 543269104 /nfs/dbraw/zinc/26/91/04/543269104.db2.gz SELUSGCKKRCWIK-DUVNUKRYSA-N 1 3 304.434 2.763 20 0 DFADHO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000425331104 296567843 /nfs/dbraw/zinc/56/78/43/296567843.db2.gz AJIVLXXRWBAZCW-ZWKOTPCHSA-N 1 3 320.502 2.627 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000379629323 543297351 /nfs/dbraw/zinc/29/73/51/543297351.db2.gz OSWMFUCJLZEVBX-CEXWTWQISA-N 1 3 301.478 2.901 20 0 DFADHO Cc1csc(N2CCC([NH2+]C[C@H](C)CN3CCCC3)CC2)n1 ZINC000165281079 145229370 /nfs/dbraw/zinc/22/93/70/145229370.db2.gz DEMXGDOFQNZFCW-AWEZNQCLSA-N 1 3 322.522 2.742 20 0 DFADHO CCOc1cc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@@H]2C)ccc1OC ZINC000168811958 145243816 /nfs/dbraw/zinc/24/38/16/145243816.db2.gz FGICBCFJOOMQPK-LZWOXQAQSA-N 1 3 306.450 2.912 20 0 DFADHO C[C@](O)(C[NH2+]C1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000169166727 145245483 /nfs/dbraw/zinc/24/54/83/145245483.db2.gz CFGVJVMPAQMQGQ-IBGZPJMESA-N 1 3 302.462 2.891 20 0 DFADHO NCCC[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000415091507 543328691 /nfs/dbraw/zinc/32/86/91/543328691.db2.gz QKOZLYAMDWZMRK-UHFFFAOYSA-N 1 3 317.260 2.980 20 0 DFADHO [NH3+]CCCNCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000415091507 543328693 /nfs/dbraw/zinc/32/86/93/543328693.db2.gz QKOZLYAMDWZMRK-UHFFFAOYSA-N 1 3 317.260 2.980 20 0 DFADHO CCC[NH+]1CCC(CNCc2c3c(nn2C)CCCC3)CC1 ZINC000631063332 399972505 /nfs/dbraw/zinc/97/25/05/399972505.db2.gz CGMSEINTLFDSDI-UHFFFAOYSA-N 1 3 304.482 2.511 20 0 DFADHO Cc1scc(C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c1C ZINC000631070451 399974149 /nfs/dbraw/zinc/97/41/49/399974149.db2.gz ZCIKQXFGAJOFFD-INIZCTEOSA-N 1 3 307.507 2.623 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(=O)[nH]c1 ZINC000631082862 399977014 /nfs/dbraw/zinc/97/70/14/399977014.db2.gz IQGYBSMQQZBVRL-QAPCUYQASA-N 1 3 311.429 2.787 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(=O)[nH]c1 ZINC000631082862 399977016 /nfs/dbraw/zinc/97/70/16/399977016.db2.gz IQGYBSMQQZBVRL-QAPCUYQASA-N 1 3 311.429 2.787 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000634121141 399985203 /nfs/dbraw/zinc/98/52/03/399985203.db2.gz QWIIWGPWDFEOPC-QGZVFWFLSA-N 1 3 323.525 2.830 20 0 DFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(=O)[nH]c1 ZINC000631194924 400001051 /nfs/dbraw/zinc/00/10/51/400001051.db2.gz SEWRAECUKMDJPX-MAUKXSAKSA-N 1 3 311.429 2.645 20 0 DFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(=O)[nH]c1 ZINC000631194924 400001053 /nfs/dbraw/zinc/00/10/53/400001053.db2.gz SEWRAECUKMDJPX-MAUKXSAKSA-N 1 3 311.429 2.645 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631194924 400001055 /nfs/dbraw/zinc/00/10/55/400001055.db2.gz SEWRAECUKMDJPX-MAUKXSAKSA-N 1 3 311.429 2.645 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCOc3c(OC)cccc32)C1 ZINC000631570722 400052740 /nfs/dbraw/zinc/05/27/40/400052740.db2.gz XSZBEFRDTVRZPI-GOEBONIOSA-N 1 3 304.434 2.840 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3ncccc32)C[C@H](C)O1 ZINC000631596972 400056803 /nfs/dbraw/zinc/05/68/03/400056803.db2.gz ORTBXMQCLHMKTC-JZXOWHBKSA-N 1 3 317.477 2.938 20 0 DFADHO C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CCCN(CC2CC2)C1 ZINC000631647245 400061585 /nfs/dbraw/zinc/06/15/85/400061585.db2.gz GBFCVNKMYJCEPZ-FJIDUMEYSA-N 1 3 304.478 2.656 20 0 DFADHO c1cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c2c(c1)COCC2 ZINC000631827665 400078127 /nfs/dbraw/zinc/07/81/27/400078127.db2.gz UFGVPWYRPBLJQC-KXBFYZLASA-N 1 3 300.446 2.723 20 0 DFADHO CSc1ccccc1NC(=O)CC[N@@H+]1CCCCC[C@H](N)C1 ZINC000631833372 400078434 /nfs/dbraw/zinc/07/84/34/400078434.db2.gz YORCSWTWCOAQKP-AWEZNQCLSA-N 1 3 321.490 2.940 20 0 DFADHO CSc1ccccc1NC(=O)CC[N@H+]1CCCCC[C@H](N)C1 ZINC000631833372 400078435 /nfs/dbraw/zinc/07/84/35/400078435.db2.gz YORCSWTWCOAQKP-AWEZNQCLSA-N 1 3 321.490 2.940 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCCC[C@H](N)C1 ZINC000631833955 400078534 /nfs/dbraw/zinc/07/85/34/400078534.db2.gz MHQAGBOKAYQEFV-AWEZNQCLSA-N 1 3 307.413 2.666 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCCC[C@H](N)C1 ZINC000631833955 400078535 /nfs/dbraw/zinc/07/85/35/400078535.db2.gz MHQAGBOKAYQEFV-AWEZNQCLSA-N 1 3 307.413 2.666 20 0 DFADHO CO[C@H](C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000425427839 296581119 /nfs/dbraw/zinc/58/11/19/296581119.db2.gz VJISGACIGXXIFL-TXPKVOOTSA-N 1 3 324.509 2.623 20 0 DFADHO Cc1nc(C(C)(C)C)sc1[C@H](C)NCCOCC[NH+](C)C ZINC000219304215 146000921 /nfs/dbraw/zinc/00/09/21/146000921.db2.gz LUEMTEAQIKRIDC-LBPRGKRZSA-N 1 3 313.511 2.978 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](CCC(=O)OCc3ccccc3)CC[C@H]21 ZINC000245603236 146086995 /nfs/dbraw/zinc/08/69/95/146086995.db2.gz GPWJAMYXZMDWQH-QZTJIDSGSA-N 1 3 316.445 2.536 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](CCC(=O)OCc3ccccc3)CC[C@H]21 ZINC000245603236 146086997 /nfs/dbraw/zinc/08/69/97/146086997.db2.gz GPWJAMYXZMDWQH-QZTJIDSGSA-N 1 3 316.445 2.536 20 0 DFADHO CN1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245731239 146098310 /nfs/dbraw/zinc/09/83/10/146098310.db2.gz QGKRXWPERKMZBT-YSTOQKLRSA-N 1 3 313.489 2.866 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](C)Oc2cccc(OC)c2)[C@H](C)C1 ZINC000247104378 146161476 /nfs/dbraw/zinc/16/14/76/146161476.db2.gz OUZXXSNKXXTTBD-VKJFTORMSA-N 1 3 306.450 2.782 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](C)Oc2cccc(OC)c2)[C@H](C)C1 ZINC000247104378 146161480 /nfs/dbraw/zinc/16/14/80/146161480.db2.gz OUZXXSNKXXTTBD-VKJFTORMSA-N 1 3 306.450 2.782 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000247144099 146163464 /nfs/dbraw/zinc/16/34/64/146163464.db2.gz SNZDXKJLJICYNC-HZPDHXFCSA-N 1 3 315.461 2.806 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000247137830 146163471 /nfs/dbraw/zinc/16/34/71/146163471.db2.gz QSQMYZLTHZCUTA-LUXYFRNMSA-N 1 3 306.450 2.781 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000247137830 146163472 /nfs/dbraw/zinc/16/34/72/146163472.db2.gz QSQMYZLTHZCUTA-LUXYFRNMSA-N 1 3 306.450 2.781 20 0 DFADHO COc1ccsc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261601724 146244060 /nfs/dbraw/zinc/24/40/60/146244060.db2.gz AGLBAZVHNVHIPZ-CABCVRRESA-N 1 3 302.443 2.931 20 0 DFADHO Cc1ccc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261811305 146279795 /nfs/dbraw/zinc/27/97/95/146279795.db2.gz HQJODULEHMZSCD-HZPDHXFCSA-N 1 3 312.461 2.955 20 0 DFADHO C[N@H+](C[C@@H]1CCCNC1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000261809493 146280220 /nfs/dbraw/zinc/28/02/20/146280220.db2.gz HOYSYULWLAFUOJ-FHLIZLRMSA-N 1 3 306.425 2.977 20 0 DFADHO C[N@@H+](C[C@@H]1CCCNC1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000261809493 146280223 /nfs/dbraw/zinc/28/02/23/146280223.db2.gz HOYSYULWLAFUOJ-FHLIZLRMSA-N 1 3 306.425 2.977 20 0 DFADHO CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000261809493 146280226 /nfs/dbraw/zinc/28/02/26/146280226.db2.gz HOYSYULWLAFUOJ-FHLIZLRMSA-N 1 3 306.425 2.977 20 0 DFADHO Cn1cc(-c2ccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)s2)cn1 ZINC000261825356 146283158 /nfs/dbraw/zinc/28/31/58/146283158.db2.gz IRBOFPDDHKSCKN-MAZHCROVSA-N 1 3 316.474 2.708 20 0 DFADHO COc1ccc(OC)c(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000261837418 146286155 /nfs/dbraw/zinc/28/61/55/146286155.db2.gz CEQDUVHTQBWQMY-QGZVFWFLSA-N 1 3 304.434 2.668 20 0 DFADHO CC(C)Oc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261894205 146296612 /nfs/dbraw/zinc/29/66/12/146296612.db2.gz GWVSPNHJKYQCTK-KZNAEPCWSA-N 1 3 318.461 2.721 20 0 DFADHO CCN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261909161 146300333 /nfs/dbraw/zinc/30/03/33/146300333.db2.gz XTBROZYCHWGAMW-RTBURBONSA-N 1 3 301.478 2.582 20 0 DFADHO Cc1ccc2c(CN3CCC([C@H](C)[NH3+])CC3)cc(=O)oc2c1 ZINC000261924918 146302610 /nfs/dbraw/zinc/30/26/10/146302610.db2.gz ILAVRXCIWBMOOY-ZDUSSCGKSA-N 1 3 300.402 2.661 20 0 DFADHO [NH3+][C@H]1C[C@H](NCCc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000261943350 146306989 /nfs/dbraw/zinc/30/69/89/146306989.db2.gz VAENXLXRXLUVFG-IRXDYDNUSA-N 1 3 310.397 2.735 20 0 DFADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000261949520 146308842 /nfs/dbraw/zinc/30/88/42/146308842.db2.gz WDOJMWFNMOKBMX-SFHVURJKSA-N 1 3 323.525 2.865 20 0 DFADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000261985461 146317773 /nfs/dbraw/zinc/31/77/73/146317773.db2.gz JTUKNINUCCRPBH-HOTGVXAUSA-N 1 3 317.477 2.574 20 0 DFADHO COc1ccc(OCCN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000262031494 146325223 /nfs/dbraw/zinc/32/52/23/146325223.db2.gz YVCCPAZSEHSNCC-GOSISDBHSA-N 1 3 304.434 2.538 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000262047997 146326914 /nfs/dbraw/zinc/32/69/14/146326914.db2.gz ZHCPUGKZJSZXEE-STQMWFEESA-N 1 3 304.463 2.708 20 0 DFADHO C[C@H]([NH3+])C1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000262104087 146334546 /nfs/dbraw/zinc/33/45/46/146334546.db2.gz JHXQKAJVJLGANZ-HNAYVOBHSA-N 1 3 318.461 2.804 20 0 DFADHO c1ccc2c(c1)C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)O2 ZINC000262326107 146351307 /nfs/dbraw/zinc/35/13/07/146351307.db2.gz RQDNJUXMYZZKBZ-ZJPYXAASSA-N 1 3 300.446 2.891 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3cccc(Cl)c3)C[C@H]21 ZINC000262344629 146352424 /nfs/dbraw/zinc/35/24/24/146352424.db2.gz UPQNJXWBOZWNJV-APHBMKBZSA-N 1 3 321.852 2.728 20 0 DFADHO CC[C@@H]1CCCCN1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262352473 146353439 /nfs/dbraw/zinc/35/34/39/146353439.db2.gz UPGBRXWQKPEXNW-IKKRTKPYSA-N 1 3 321.509 2.521 20 0 DFADHO CN(C)CCN(C(=O)CC1(C[NH3+])CCCCC1)C1CCCC1 ZINC000262370372 146354832 /nfs/dbraw/zinc/35/48/32/146354832.db2.gz XKOJVYGJJPYCBD-UHFFFAOYSA-N 1 3 309.498 2.619 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCCOC(C)(C)C ZINC000354729264 147130898 /nfs/dbraw/zinc/13/08/98/147130898.db2.gz ISIYFYBDEOZZNP-BRWVUGGUSA-N 1 3 312.498 2.765 20 0 DFADHO CN(C/C=C\C[N@H+](C)CCc1ccncc1)CCc1ccncc1 ZINC000354885258 147190221 /nfs/dbraw/zinc/19/02/21/147190221.db2.gz UFIJAEVLKLWHFE-ARJAWSKDSA-N 1 3 324.472 2.682 20 0 DFADHO CN(C/C=C\C[N@@H+](C)CCc1ccncc1)CCc1ccncc1 ZINC000354885258 147190226 /nfs/dbraw/zinc/19/02/26/147190226.db2.gz UFIJAEVLKLWHFE-ARJAWSKDSA-N 1 3 324.472 2.682 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCN3CC=CCC3)CC2)C1 ZINC000355510097 147342718 /nfs/dbraw/zinc/34/27/18/147342718.db2.gz HLKFWRGJEADRFR-MJGOQNOKSA-N 1 3 305.510 2.881 20 0 DFADHO N[C@H]1C[C@@H]([NH2+]CCNc2ccc3ccccc3n2)c2ccccc21 ZINC000576744526 543454011 /nfs/dbraw/zinc/45/40/11/543454011.db2.gz PSQBIYXCRVPRCT-PKOBYXMFSA-N 1 3 318.424 3.381 20 0 DFADHO COCCN(C)CC[C@H](Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000357690267 148086093 /nfs/dbraw/zinc/08/60/93/148086093.db2.gz NNEBYRCAHKUAAW-IBGZPJMESA-N 1 3 313.445 2.933 20 0 DFADHO c1c(CNCCC[C@@H]2CCCCO2)onc1C1CC[NH2+]CC1 ZINC000425893186 296602902 /nfs/dbraw/zinc/60/29/02/296602902.db2.gz BPLMOOYGVVWQTH-HNNXBMFYSA-N 1 3 307.438 2.581 20 0 DFADHO COC1CCC(C)(CNCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425896913 296603141 /nfs/dbraw/zinc/60/31/41/296603141.db2.gz RCHVVFHIWXJSIC-UHFFFAOYSA-N 1 3 321.465 2.827 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000358133765 148256168 /nfs/dbraw/zinc/25/61/68/148256168.db2.gz QRMRJJNTLJPRNV-DNVCBOLYSA-N 1 3 323.440 2.711 20 0 DFADHO CS[C@H]1CCC[C@@H](NCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425901899 296603963 /nfs/dbraw/zinc/60/39/63/296603963.db2.gz REDZPMRPBQKJKU-HIFRSBDPSA-N 1 3 309.479 2.905 20 0 DFADHO COc1ccc([C@@H](C)NC[C@@]2(O)CC[N@H+](C)C2)c2ccccc12 ZINC000358249671 148303314 /nfs/dbraw/zinc/30/33/14/148303314.db2.gz KTXZSEIKOKBUSR-KUHUBIRLSA-N 1 3 314.429 2.566 20 0 DFADHO COc1ccc([C@@H](C)NC[C@@]2(O)CC[N@@H+](C)C2)c2ccccc12 ZINC000358249671 148303318 /nfs/dbraw/zinc/30/33/18/148303318.db2.gz KTXZSEIKOKBUSR-KUHUBIRLSA-N 1 3 314.429 2.566 20 0 DFADHO CN1CCCN(CCC[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657349684 543517410 /nfs/dbraw/zinc/51/74/10/543517410.db2.gz JVMRVXWGBNSNBH-UHFFFAOYSA-N 1 3 307.526 2.963 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNCc2cn(C)nc2C(F)F)C1 ZINC000360984539 149000039 /nfs/dbraw/zinc/00/00/39/149000039.db2.gz RKZLPMXVBQGGSS-ZDUSSCGKSA-N 1 3 314.424 2.959 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNCc2cn(C)nc2C(F)F)C1 ZINC000360984539 149000043 /nfs/dbraw/zinc/00/00/43/149000043.db2.gz RKZLPMXVBQGGSS-ZDUSSCGKSA-N 1 3 314.424 2.959 20 0 DFADHO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000361067714 149022073 /nfs/dbraw/zinc/02/20/73/149022073.db2.gz JJJOXOGNWUIQOM-RDJZCZTQSA-N 1 3 317.477 2.514 20 0 DFADHO OC1(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000361685815 149191788 /nfs/dbraw/zinc/19/17/88/149191788.db2.gz GPPQGRJBRPAVDX-MOPGFXCFSA-N 1 3 314.473 2.888 20 0 DFADHO OC1(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000361685815 149191790 /nfs/dbraw/zinc/19/17/90/149191790.db2.gz GPPQGRJBRPAVDX-MOPGFXCFSA-N 1 3 314.473 2.888 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000361710355 149198838 /nfs/dbraw/zinc/19/88/38/149198838.db2.gz IOMWJEKTQSGNFC-KDOFPFPSSA-N 1 3 315.461 2.545 20 0 DFADHO Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CCCN2CCCC2)n1 ZINC000361946165 149262803 /nfs/dbraw/zinc/26/28/03/149262803.db2.gz SPBHKULHJIJWRG-SFHVURJKSA-N 1 3 304.482 2.840 20 0 DFADHO Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CCCN2CCCC2)n1 ZINC000361946165 149262804 /nfs/dbraw/zinc/26/28/04/149262804.db2.gz SPBHKULHJIJWRG-SFHVURJKSA-N 1 3 304.482 2.840 20 0 DFADHO C[C@@H]([NH2+]C1CCC(CO)CC1)c1ccc(OCCN(C)C)cc1 ZINC000361980864 149270704 /nfs/dbraw/zinc/27/07/04/149270704.db2.gz MMHPGVMYPWWOBN-KLHKWILBSA-N 1 3 320.477 2.829 20 0 DFADHO CCN1CCN([C@H]2CC[N@H+](Cc3cc(C)cc(Cl)c3)C2)CC1 ZINC000351446558 286126957 /nfs/dbraw/zinc/12/69/57/286126957.db2.gz ASLFGPLVULTLOF-SFHVURJKSA-N 1 3 321.896 2.860 20 0 DFADHO CCN1CCN([C@H]2CC[N@@H+](Cc3cc(C)cc(Cl)c3)C2)CC1 ZINC000351446558 286126961 /nfs/dbraw/zinc/12/69/61/286126961.db2.gz ASLFGPLVULTLOF-SFHVURJKSA-N 1 3 321.896 2.860 20 0 DFADHO C[N@H+](C[C@@H](O)CN1CC[C@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538084 286146858 /nfs/dbraw/zinc/14/68/58/286146858.db2.gz QUQLYGDKESMQFU-UXHICEINSA-N 1 3 316.489 2.786 20 0 DFADHO C[N@@H+](C[C@@H](O)CN1CC[C@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538084 286146859 /nfs/dbraw/zinc/14/68/59/286146859.db2.gz QUQLYGDKESMQFU-UXHICEINSA-N 1 3 316.489 2.786 20 0 DFADHO CCc1ccc([C@H](NC[C@H](O)C[N@H+](C)C2CC2)C(C)C)cc1 ZINC000351539563 286147682 /nfs/dbraw/zinc/14/76/82/286147682.db2.gz UPZGAEJTPQOORO-RBUKOAKNSA-N 1 3 304.478 2.991 20 0 DFADHO CCc1ccc([C@H](NC[C@H](O)C[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000351539563 286147684 /nfs/dbraw/zinc/14/76/84/286147684.db2.gz UPZGAEJTPQOORO-RBUKOAKNSA-N 1 3 304.478 2.991 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccccc1-c1cnn(C)c1 ZINC000371429742 150045349 /nfs/dbraw/zinc/04/53/49/150045349.db2.gz GUVMATOHMMMWRI-SPYBWZPUSA-N 1 3 312.461 2.905 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccccc1-c1cnn(C)c1 ZINC000371429742 150045352 /nfs/dbraw/zinc/04/53/52/150045352.db2.gz GUVMATOHMMMWRI-SPYBWZPUSA-N 1 3 312.461 2.905 20 0 DFADHO C[N@H+](C[C@H](O)CN1CCC[C@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591435 286162542 /nfs/dbraw/zinc/16/25/42/286162542.db2.gz FBGQTSQTMDJNDJ-KXBFYZLASA-N 1 3 320.452 2.850 20 0 DFADHO C[N@@H+](C[C@H](O)CN1CCC[C@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591435 286162547 /nfs/dbraw/zinc/16/25/47/286162547.db2.gz FBGQTSQTMDJNDJ-KXBFYZLASA-N 1 3 320.452 2.850 20 0 DFADHO CCc1nccn1[C@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351598740 286164493 /nfs/dbraw/zinc/16/44/93/286164493.db2.gz VEUDYCGZIWBMIS-SJORKVTESA-N 1 3 304.482 2.957 20 0 DFADHO CCc1nccn1[C@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351598740 286164496 /nfs/dbraw/zinc/16/44/96/286164496.db2.gz VEUDYCGZIWBMIS-SJORKVTESA-N 1 3 304.482 2.957 20 0 DFADHO CCc1nccn1[C@H]1CCC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000351598740 286164498 /nfs/dbraw/zinc/16/44/98/286164498.db2.gz VEUDYCGZIWBMIS-SJORKVTESA-N 1 3 304.482 2.957 20 0 DFADHO CCc1nccn1[C@H]1CCC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000351598740 286164501 /nfs/dbraw/zinc/16/45/01/286164501.db2.gz VEUDYCGZIWBMIS-SJORKVTESA-N 1 3 304.482 2.957 20 0 DFADHO CCc1nccn1[C@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351598739 286164839 /nfs/dbraw/zinc/16/48/39/286164839.db2.gz VEUDYCGZIWBMIS-IRXDYDNUSA-N 1 3 304.482 2.957 20 0 DFADHO CCc1nccn1[C@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351598739 286164842 /nfs/dbraw/zinc/16/48/42/286164842.db2.gz VEUDYCGZIWBMIS-IRXDYDNUSA-N 1 3 304.482 2.957 20 0 DFADHO CCc1nccn1[C@H]1CCC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000351598739 286164843 /nfs/dbraw/zinc/16/48/43/286164843.db2.gz VEUDYCGZIWBMIS-IRXDYDNUSA-N 1 3 304.482 2.957 20 0 DFADHO CCc1nccn1[C@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000351598739 286164845 /nfs/dbraw/zinc/16/48/45/286164845.db2.gz VEUDYCGZIWBMIS-IRXDYDNUSA-N 1 3 304.482 2.957 20 0 DFADHO Cc1ccc(F)cc1CN1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000372459271 150175833 /nfs/dbraw/zinc/17/58/33/150175833.db2.gz BAODVUBNFDERAV-KRWDZBQOSA-N 1 3 319.468 2.594 20 0 DFADHO CCCC[C@H](C)[NH2+]Cc1c(C)nn(C)c1N1CCCN(C)CC1 ZINC000372783626 150184167 /nfs/dbraw/zinc/18/41/67/150184167.db2.gz RIUALMMLEATPHL-HNNXBMFYSA-N 1 3 321.513 2.539 20 0 DFADHO CN(C)[C@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000372988589 150212303 /nfs/dbraw/zinc/21/23/03/150212303.db2.gz DLTYGWYAMXJFTP-HNNXBMFYSA-N 1 3 320.433 2.600 20 0 DFADHO CN(C)[C@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000372988589 150212305 /nfs/dbraw/zinc/21/23/05/150212305.db2.gz DLTYGWYAMXJFTP-HNNXBMFYSA-N 1 3 320.433 2.600 20 0 DFADHO C[C@H]1C[C@H](C[NH2+][C@@H]2CCN(C)[C@H](C)C2)CN1Cc1ccccc1 ZINC000374526375 150372673 /nfs/dbraw/zinc/37/26/73/150372673.db2.gz HLYQEZASWQDCAL-PIKOESSRSA-N 1 3 315.505 2.969 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCCOc2ccc(F)cc21 ZINC000165956693 286198657 /nfs/dbraw/zinc/19/86/57/286198657.db2.gz GWVNBKLDYUIPRV-RDJZCZTQSA-N 1 3 324.440 2.986 20 0 DFADHO C[N@H+](C[C@H](O)CN1C[C@@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722090 286202573 /nfs/dbraw/zinc/20/25/73/286202573.db2.gz WERISGAREPLMFH-ROUUACIJSA-N 1 3 302.462 2.567 20 0 DFADHO C[N@@H+](C[C@H](O)CN1C[C@@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722090 286202575 /nfs/dbraw/zinc/20/25/75/286202575.db2.gz WERISGAREPLMFH-ROUUACIJSA-N 1 3 302.462 2.567 20 0 DFADHO CN1CCC2(CCCN2C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000426912212 296643603 /nfs/dbraw/zinc/64/36/03/296643603.db2.gz RQHQPTFZNITPCE-UHFFFAOYSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496347365 300050214 /nfs/dbraw/zinc/05/02/14/300050214.db2.gz WQBDYFZCKTZTKX-KKUMJFAQSA-N 1 3 313.486 2.704 20 0 DFADHO CC[C@H](C)CCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000351805891 286222936 /nfs/dbraw/zinc/22/29/36/286222936.db2.gz DCEIUHOCQSGYGR-IRXDYDNUSA-N 1 3 311.514 2.687 20 0 DFADHO CC[C@H](C)CCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000351805891 286222937 /nfs/dbraw/zinc/22/29/37/286222937.db2.gz DCEIUHOCQSGYGR-IRXDYDNUSA-N 1 3 311.514 2.687 20 0 DFADHO CCN(CCC[NH+](CC)CC)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000351803682 286222410 /nfs/dbraw/zinc/22/24/10/286222410.db2.gz GAOAWUILJCBCOA-ZACQAIPSSA-N 1 3 311.514 2.828 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2cccc3ccccc32)C1 ZINC000351857426 286233136 /nfs/dbraw/zinc/23/31/36/286233136.db2.gz BEWOVQZKKAOYKV-ZBFHGGJFSA-N 1 3 311.429 2.838 20 0 DFADHO C[C@H](F)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000351886201 286237435 /nfs/dbraw/zinc/23/74/35/286237435.db2.gz CESJXVHHOGPYCI-ARFHVFGLSA-N 1 3 300.462 2.946 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000352018053 286270831 /nfs/dbraw/zinc/27/08/31/286270831.db2.gz MZZLCIAAZDTZTM-HKUYNNGSSA-N 1 3 300.446 2.940 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000352018053 286270832 /nfs/dbraw/zinc/27/08/32/286270832.db2.gz MZZLCIAAZDTZTM-HKUYNNGSSA-N 1 3 300.446 2.940 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000352023000 286272077 /nfs/dbraw/zinc/27/20/77/286272077.db2.gz STLWEWLKXRWCCC-MJGOQNOKSA-N 1 3 300.446 2.992 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000352023000 286272078 /nfs/dbraw/zinc/27/20/78/286272078.db2.gz STLWEWLKXRWCCC-MJGOQNOKSA-N 1 3 300.446 2.992 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000352172851 286311746 /nfs/dbraw/zinc/31/17/46/286311746.db2.gz XJXCLTSOODJVJO-ZWKOTPCHSA-N 1 3 319.493 2.881 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000352349920 286350077 /nfs/dbraw/zinc/35/00/77/286350077.db2.gz IIZIQDMFUUGKNH-FUHWJXTLSA-N 1 3 319.493 2.790 20 0 DFADHO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000429759787 296757854 /nfs/dbraw/zinc/75/78/54/296757854.db2.gz AOFVQZUIAJVSBN-NJAFHUGGSA-N 1 3 317.477 2.574 20 0 DFADHO CC(C)O[C@@H]1C[C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1(C)C ZINC000185227713 158050059 /nfs/dbraw/zinc/05/00/59/158050059.db2.gz ZMORAMHFOUEOQC-CGTJXYLNSA-N 1 3 324.509 2.669 20 0 DFADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@@H](C)C1 ZINC000246273078 158083397 /nfs/dbraw/zinc/08/33/97/158083397.db2.gz SAIJACLOQKRIPG-GUYCJALGSA-N 1 3 322.424 2.774 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@@H](C)C1 ZINC000246273078 158083400 /nfs/dbraw/zinc/08/34/00/158083400.db2.gz SAIJACLOQKRIPG-GUYCJALGSA-N 1 3 322.424 2.774 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccco1 ZINC000246917228 158105755 /nfs/dbraw/zinc/10/57/55/158105755.db2.gz GDBNEYIVUFOLKX-YLFCFFPRSA-N 1 3 307.482 2.981 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccco1 ZINC000246917228 158105756 /nfs/dbraw/zinc/10/57/56/158105756.db2.gz GDBNEYIVUFOLKX-YLFCFFPRSA-N 1 3 307.482 2.981 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C)c1ccco1 ZINC000246917228 158105757 /nfs/dbraw/zinc/10/57/57/158105757.db2.gz GDBNEYIVUFOLKX-YLFCFFPRSA-N 1 3 307.482 2.981 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000246989647 158111756 /nfs/dbraw/zinc/11/17/56/158111756.db2.gz KELYJCMRHCTKGU-QFBILLFUSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000246989647 158111757 /nfs/dbraw/zinc/11/17/57/158111757.db2.gz KELYJCMRHCTKGU-QFBILLFUSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@H+]1CC[C@@H](NCc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000246989647 158111758 /nfs/dbraw/zinc/11/17/58/158111758.db2.gz KELYJCMRHCTKGU-QFBILLFUSA-N 1 3 312.461 2.751 20 0 DFADHO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000247305246 158128529 /nfs/dbraw/zinc/12/85/29/158128529.db2.gz ZXJHHCZRZOGICO-FUHWJXTLSA-N 1 3 301.434 2.561 20 0 DFADHO CC(=O)Nc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000247305246 158128531 /nfs/dbraw/zinc/12/85/31/158128531.db2.gz ZXJHHCZRZOGICO-FUHWJXTLSA-N 1 3 301.434 2.561 20 0 DFADHO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000247929357 158151435 /nfs/dbraw/zinc/15/14/35/158151435.db2.gz BXTLMLQNYSAWSD-DAYGRLMNSA-N 1 3 308.466 2.685 20 0 DFADHO Cc1cnn(CCCCC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000248133656 158161416 /nfs/dbraw/zinc/16/14/16/158161416.db2.gz OUPWMACZPLCEOV-ZWKOTPCHSA-N 1 3 304.482 2.778 20 0 DFADHO Cc1cnn(CCCCC[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000248133656 158161417 /nfs/dbraw/zinc/16/14/17/158161417.db2.gz OUPWMACZPLCEOV-ZWKOTPCHSA-N 1 3 304.482 2.778 20 0 DFADHO O[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000248569674 158184542 /nfs/dbraw/zinc/18/45/42/158184542.db2.gz LTJZAKCUCRPPCO-VQTJNVASSA-N 1 3 316.489 2.788 20 0 DFADHO O[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000248569674 158184543 /nfs/dbraw/zinc/18/45/43/158184543.db2.gz LTJZAKCUCRPPCO-VQTJNVASSA-N 1 3 316.489 2.788 20 0 DFADHO OCCCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248751060 158200025 /nfs/dbraw/zinc/20/00/25/158200025.db2.gz OMBFXQFRLQQCBP-IPMKNSEASA-N 1 3 302.462 2.649 20 0 DFADHO CN(C)CCc1ccccc1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000356893397 158319242 /nfs/dbraw/zinc/31/92/42/158319242.db2.gz PLGJFYDISWBDSF-KRWDZBQOSA-N 1 3 317.477 2.994 20 0 DFADHO CN(C)CCc1ccccc1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000356893397 158319245 /nfs/dbraw/zinc/31/92/45/158319245.db2.gz PLGJFYDISWBDSF-KRWDZBQOSA-N 1 3 317.477 2.994 20 0 DFADHO CCOc1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000357042700 158354911 /nfs/dbraw/zinc/35/49/11/158354911.db2.gz FVDSZOLKOHTDGQ-QGZVFWFLSA-N 1 3 318.461 2.915 20 0 DFADHO COc1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc(OC)c1 ZINC000357053726 158357377 /nfs/dbraw/zinc/35/73/77/158357377.db2.gz PUIZYINRHJAQFZ-MRXNPFEDSA-N 1 3 304.434 2.525 20 0 DFADHO CCc1ccc(NC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358508017 158383566 /nfs/dbraw/zinc/38/35/66/158383566.db2.gz NYLVYVYJNBOQGW-HNNXBMFYSA-N 1 3 315.461 2.652 20 0 DFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(F)c1 ZINC000133090564 196311015 /nfs/dbraw/zinc/31/10/15/196311015.db2.gz FEHNJTWVTSABNZ-GJZGRUSLSA-N 1 3 306.425 2.977 20 0 DFADHO CC[C@H](C)C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000133566300 196331452 /nfs/dbraw/zinc/33/14/52/196331452.db2.gz VRUCVZDNQQIGRF-INIZCTEOSA-N 1 3 317.477 2.648 20 0 DFADHO C[C@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)N2CCCC2)CCN1C ZINC000134068414 196358510 /nfs/dbraw/zinc/35/85/10/196358510.db2.gz JRHBUOZBHDNCLJ-UHOSZYNNSA-N 1 3 301.478 2.896 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000289797995 287318333 /nfs/dbraw/zinc/31/83/33/287318333.db2.gz YYXGQAPDGFNPOZ-BZSNNMDCSA-N 1 3 317.477 2.574 20 0 DFADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667889018 543698197 /nfs/dbraw/zinc/69/81/97/543698197.db2.gz NKQRMZDWYANYCY-UIAACRFSSA-N 1 3 314.473 2.922 20 0 DFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cccc(CN)c1 ZINC000667731599 543668286 /nfs/dbraw/zinc/66/82/86/543668286.db2.gz YDGYTXMDERZRHF-KFWWJZLASA-N 1 3 318.465 2.633 20 0 DFADHO CN1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccccc1 ZINC000667734970 543669677 /nfs/dbraw/zinc/66/96/77/543669677.db2.gz CUIHWKRWZVHDSP-ZWKOTPCHSA-N 1 3 324.428 2.712 20 0 DFADHO CC(C)C1CCC(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000668739173 543858134 /nfs/dbraw/zinc/85/81/34/543858134.db2.gz JZVZHCBYPNXJSZ-FAFZWHIHSA-N 1 3 308.510 2.980 20 0 DFADHO CC(C)C1CCC(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000668739173 543858136 /nfs/dbraw/zinc/85/81/36/543858136.db2.gz JZVZHCBYPNXJSZ-FAFZWHIHSA-N 1 3 308.510 2.980 20 0 DFADHO CO[C@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)[C@H](C)C1 ZINC000669621116 543976478 /nfs/dbraw/zinc/97/64/78/543976478.db2.gz GYLLIHSYBHXUNH-QAPCUYQASA-N 1 3 306.450 2.626 20 0 DFADHO CO[C@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)[C@H](C)C1 ZINC000669621116 543976479 /nfs/dbraw/zinc/97/64/79/543976479.db2.gz GYLLIHSYBHXUNH-QAPCUYQASA-N 1 3 306.450 2.626 20 0 DFADHO CCC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)[C@@H]1CC1(C)C ZINC000669418984 543943559 /nfs/dbraw/zinc/94/35/59/543943559.db2.gz PNAUDHHMXYSPFB-SZMVWBNQSA-N 1 3 307.526 2.959 20 0 DFADHO CCC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)[C@@H]1CC1(C)C ZINC000669418982 543943806 /nfs/dbraw/zinc/94/38/06/543943806.db2.gz PNAUDHHMXYSPFB-NJAFHUGGSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@H](C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C(C)(C)C ZINC000670268468 544031441 /nfs/dbraw/zinc/03/14/41/544031441.db2.gz ISSLYBSTGDNJIY-OAHLLOKOSA-N 1 3 319.493 2.750 20 0 DFADHO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000671748408 544105810 /nfs/dbraw/zinc/10/58/10/544105810.db2.gz GUPFXFHBTVIOPA-BGTYHANMSA-N 1 3 316.445 2.981 20 0 DFADHO COc1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000290298781 221554068 /nfs/dbraw/zinc/55/40/68/221554068.db2.gz BASPHVWJFDFMSV-KRWDZBQOSA-N 1 3 318.461 2.868 20 0 DFADHO CC1CC[NH+](CCC[C@H](NCCO)c2ccc(F)cc2)CC1 ZINC000291070508 222114432 /nfs/dbraw/zinc/11/44/32/222114432.db2.gz BATUNONCQJVYDY-SFHVURJKSA-N 1 3 308.441 2.961 20 0 DFADHO CC(C)OCC[NH+]1CCC(NCc2n[nH]c3ccccc32)CC1 ZINC000673886357 544205433 /nfs/dbraw/zinc/20/54/33/544205433.db2.gz MXKLBUVXBPALLJ-UHFFFAOYSA-N 1 3 316.449 2.542 20 0 DFADHO COc1cccc([C@H](C)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000674049782 544216270 /nfs/dbraw/zinc/21/62/70/544216270.db2.gz ZKGIJSZORMWVCG-HNAYVOBHSA-N 1 3 318.461 2.989 20 0 DFADHO OCCC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCCC1 ZINC000297572742 227318979 /nfs/dbraw/zinc/31/89/79/227318979.db2.gz HYRWKLDRFPMFPR-UHFFFAOYSA-N 1 3 317.477 2.973 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccc(OCCN(C)C)cc1 ZINC000675766793 544334467 /nfs/dbraw/zinc/33/44/67/544334467.db2.gz OLZFBANPVMRJEI-XIRDDKMYSA-N 1 3 306.450 2.581 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc(OCCN(C)C)cc1 ZINC000675766789 544334559 /nfs/dbraw/zinc/33/45/59/544334559.db2.gz OLZFBANPVMRJEI-BHYGNILZSA-N 1 3 306.450 2.581 20 0 DFADHO CC[C@H](N[C@@H](C)C1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000675804516 544337791 /nfs/dbraw/zinc/33/77/91/544337791.db2.gz BGGZFODUGYIPIB-HOCLYGCPSA-N 1 3 319.497 2.776 20 0 DFADHO CN1CCN(CC[NH2+]C2CCC(C(F)(F)F)CC2)CC1(C)C ZINC000442876302 297208961 /nfs/dbraw/zinc/20/89/61/297208961.db2.gz QVKIKWOFVPJGJI-UHFFFAOYSA-N 1 3 321.431 2.723 20 0 DFADHO C[C@@H](CCN(C)C)[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000677804312 544543433 /nfs/dbraw/zinc/54/34/33/544543433.db2.gz FBHQKDFGUGHOAP-FUHWJXTLSA-N 1 3 303.494 2.969 20 0 DFADHO Fc1ccccc1OCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298376424 228519042 /nfs/dbraw/zinc/51/90/42/228519042.db2.gz KXQSVGZOHJEGNB-UHFFFAOYSA-N 1 3 315.392 2.858 20 0 DFADHO COc1ccc(C2([NH2+]CC[C@H]3CCCN3C)CCOCC2)cc1 ZINC000678078745 544595616 /nfs/dbraw/zinc/59/56/16/544595616.db2.gz ATYWBCJEODVESI-QGZVFWFLSA-N 1 3 318.461 2.775 20 0 DFADHO Cn1nc(CN2CCC(CC[NH+](C)C)CC2)c2ccccc21 ZINC000678208183 544619491 /nfs/dbraw/zinc/61/94/91/544619491.db2.gz FSBIYYWGOMCJIC-UHFFFAOYSA-N 1 3 300.450 2.737 20 0 DFADHO CC1(O)CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678267459 544637247 /nfs/dbraw/zinc/63/72/47/544637247.db2.gz GSRDVHLVNBCKJM-UHFFFAOYSA-N 1 3 318.461 2.508 20 0 DFADHO CCN1C[C@H](C)[C@H](NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000679076093 544780075 /nfs/dbraw/zinc/78/00/75/544780075.db2.gz QNOUFIPPVSCPKY-RNIPGJKVSA-N 1 3 307.526 2.959 20 0 DFADHO CC(C)(CO)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000679720575 544905353 /nfs/dbraw/zinc/90/53/53/544905353.db2.gz CMUXHTYFFGSQOB-GBESFXJTSA-N 1 3 316.489 2.895 20 0 DFADHO CC(C)(CO)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000679720578 544905529 /nfs/dbraw/zinc/90/55/29/544905529.db2.gz CMUXHTYFFGSQOB-IPMKNSEASA-N 1 3 316.489 2.895 20 0 DFADHO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(OCCN(C)C)cc2)CCO1 ZINC000680142049 544964064 /nfs/dbraw/zinc/96/40/64/544964064.db2.gz QXKXRNAIVBZDKT-SJORKVTESA-N 1 3 320.477 2.922 20 0 DFADHO CC1CC[NH+](CCCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000155536707 425920427 /nfs/dbraw/zinc/92/04/27/425920427.db2.gz DVIZAQZQKWGVTA-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO C/C(=C\c1ccccc1)C[NH2+]CCCCN1CCN(C)CC1 ZINC000102422179 425920631 /nfs/dbraw/zinc/92/06/31/425920631.db2.gz HKOZMEKDILCATF-FBMGVBCBSA-N 1 3 301.478 2.707 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000155607221 425921636 /nfs/dbraw/zinc/92/16/36/425921636.db2.gz XZFRAKGKDARLQQ-DOTOQJQBSA-N 1 3 319.518 2.839 20 0 DFADHO CCc1cc(NC[C@@H](C)N2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000124499126 425923689 /nfs/dbraw/zinc/92/36/89/425923689.db2.gz UWQWXHSWRZPBPH-OAHLLOKOSA-N 1 3 312.461 2.845 20 0 DFADHO COC(=O)[C@H]1CC[C@@H](NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000193874498 268082323 /nfs/dbraw/zinc/08/23/23/268082323.db2.gz GAXCPGAVMSZHPN-ONIAQPFYSA-N 1 3 322.493 2.961 20 0 DFADHO COC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000193874498 268082324 /nfs/dbraw/zinc/08/23/24/268082324.db2.gz GAXCPGAVMSZHPN-ONIAQPFYSA-N 1 3 322.493 2.961 20 0 DFADHO CC(C)(C)OC(=O)NCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000223129919 268142343 /nfs/dbraw/zinc/14/23/43/268142343.db2.gz QDUWRTGBOWYBRL-UHFFFAOYSA-N 1 3 313.486 2.754 20 0 DFADHO CC(C)(C)OC(=O)NCCCNC1CC[NH+](C(C)(C)C)CC1 ZINC000223129919 268142348 /nfs/dbraw/zinc/14/23/48/268142348.db2.gz QDUWRTGBOWYBRL-UHFFFAOYSA-N 1 3 313.486 2.754 20 0 DFADHO CC(C)N(C)CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000226313106 268143858 /nfs/dbraw/zinc/14/38/58/268143858.db2.gz UVWQYEJMJCKSPA-UHFFFAOYSA-N 1 3 313.486 2.706 20 0 DFADHO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000268853597 268186022 /nfs/dbraw/zinc/18/60/22/268186022.db2.gz QIQNZJXZPPPASI-SJLPKXTDSA-N 1 3 320.477 2.829 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000268801730 268186358 /nfs/dbraw/zinc/18/63/58/268186358.db2.gz DKUBJHRJNMPKCR-LPHOPBHVSA-N 1 3 312.461 2.735 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000268801730 268186359 /nfs/dbraw/zinc/18/63/59/268186359.db2.gz DKUBJHRJNMPKCR-LPHOPBHVSA-N 1 3 312.461 2.735 20 0 DFADHO CN(Cc1ccnn1-c1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000279599745 268268710 /nfs/dbraw/zinc/26/87/10/268268710.db2.gz IIKNKFMFBJNNLI-UHFFFAOYSA-N 1 3 316.424 2.785 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)nc2)C1 ZINC000289951597 268281414 /nfs/dbraw/zinc/28/14/14/268281414.db2.gz WOMCLDNRKBNZGY-NWDGAFQWSA-N 1 3 312.255 2.837 20 0 DFADHO CCN1CCCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298557532 268315126 /nfs/dbraw/zinc/31/51/26/268315126.db2.gz VMJVOQZRJVKRAY-SFHVURJKSA-N 1 3 302.466 2.514 20 0 DFADHO CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000313123472 268339030 /nfs/dbraw/zinc/33/90/30/268339030.db2.gz STKYGTLNMPQHDT-MKXGPGLRSA-N 1 3 314.473 2.912 20 0 DFADHO CC1(C)COC[C@@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000313123472 268339032 /nfs/dbraw/zinc/33/90/32/268339032.db2.gz STKYGTLNMPQHDT-MKXGPGLRSA-N 1 3 314.473 2.912 20 0 DFADHO CC1(C)COC[C@@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000313123472 268339034 /nfs/dbraw/zinc/33/90/34/268339034.db2.gz STKYGTLNMPQHDT-MKXGPGLRSA-N 1 3 314.473 2.912 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000124802059 425939227 /nfs/dbraw/zinc/93/92/27/425939227.db2.gz FCGIZVRZIJTKET-IBGZPJMESA-N 1 3 319.468 2.818 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000124802059 425939230 /nfs/dbraw/zinc/93/92/30/425939230.db2.gz FCGIZVRZIJTKET-IBGZPJMESA-N 1 3 319.468 2.818 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000124802059 425939231 /nfs/dbraw/zinc/93/92/31/425939231.db2.gz FCGIZVRZIJTKET-IBGZPJMESA-N 1 3 319.468 2.818 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000124802059 425939234 /nfs/dbraw/zinc/93/92/34/425939234.db2.gz FCGIZVRZIJTKET-IBGZPJMESA-N 1 3 319.468 2.818 20 0 DFADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000125756594 425988887 /nfs/dbraw/zinc/98/88/87/425988887.db2.gz WVYYJPMPUZECHU-AWEZNQCLSA-N 1 3 321.431 2.723 20 0 DFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000125418091 425970708 /nfs/dbraw/zinc/97/07/08/425970708.db2.gz FQAPGUSJBBXVRF-WMZOPIPTSA-N 1 3 321.509 2.725 20 0 DFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000125418091 425970711 /nfs/dbraw/zinc/97/07/11/425970711.db2.gz FQAPGUSJBBXVRF-WMZOPIPTSA-N 1 3 321.509 2.725 20 0 DFADHO Cc1nccn1CCCCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000125500988 425974860 /nfs/dbraw/zinc/97/48/60/425974860.db2.gz DAOHEWKLNDEJTJ-SFHVURJKSA-N 1 3 304.482 2.922 20 0 DFADHO Cc1nccn1CCCCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000125500756 425975067 /nfs/dbraw/zinc/97/50/67/425975067.db2.gz DAOHEWKLNDEJTJ-GOSISDBHSA-N 1 3 304.482 2.922 20 0 DFADHO CC[NH+](CC)CCOc1ccc(CNCC2=CCCOC2)cc1 ZINC000126541434 426025561 /nfs/dbraw/zinc/02/55/61/426025561.db2.gz HPEVRILRMZYMRY-UHFFFAOYSA-N 1 3 318.461 2.844 20 0 DFADHO CC(C)[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1CC1 ZINC000126743039 426034907 /nfs/dbraw/zinc/03/49/07/426034907.db2.gz BLVWDROCYYUZGL-FQEVSTJZSA-N 1 3 315.505 2.958 20 0 DFADHO CC(=O)NC1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000161747313 426037504 /nfs/dbraw/zinc/03/75/04/426037504.db2.gz SECZALFXVOXNHF-UHFFFAOYSA-N 1 3 321.509 2.678 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000161852244 426042323 /nfs/dbraw/zinc/04/23/23/426042323.db2.gz QYJRSLUMKRSRDR-ZBFHGGJFSA-N 1 3 304.434 2.668 20 0 DFADHO O=C(NCCCCC[NH+]1CCCCC1)[C@@H](C1CC1)N1CCCC1 ZINC000126999243 426046738 /nfs/dbraw/zinc/04/67/38/426046738.db2.gz LSJSYLDFNXWBKZ-GOSISDBHSA-N 1 3 321.509 2.633 20 0 DFADHO Cn1ccnc1C[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000162131515 426053255 /nfs/dbraw/zinc/05/32/55/426053255.db2.gz ATJWCASFQYCELR-KRWDZBQOSA-N 1 3 304.482 2.551 20 0 DFADHO Cn1ccnc1C[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000162131515 426053257 /nfs/dbraw/zinc/05/32/57/426053257.db2.gz ATJWCASFQYCELR-KRWDZBQOSA-N 1 3 304.482 2.551 20 0 DFADHO Cn1ccnc1C[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000162131515 426053261 /nfs/dbraw/zinc/05/32/61/426053261.db2.gz ATJWCASFQYCELR-KRWDZBQOSA-N 1 3 304.482 2.551 20 0 DFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000075334741 426070896 /nfs/dbraw/zinc/07/08/96/426070896.db2.gz FLXQGLINPZIEMJ-QGZVFWFLSA-N 1 3 317.477 2.552 20 0 DFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000075334741 426070899 /nfs/dbraw/zinc/07/08/99/426070899.db2.gz FLXQGLINPZIEMJ-QGZVFWFLSA-N 1 3 317.477 2.552 20 0 DFADHO C[C@H]([NH2+]CCc1nccs1)c1cccc(OCCN(C)C)c1 ZINC000127882902 426091229 /nfs/dbraw/zinc/09/12/29/426091229.db2.gz YGBXFYKARKZPDP-AWEZNQCLSA-N 1 3 319.474 2.977 20 0 DFADHO CCC[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000127939764 426094331 /nfs/dbraw/zinc/09/43/31/426094331.db2.gz JHBHSODZJZERCE-ROUUACIJSA-N 1 3 317.477 2.705 20 0 DFADHO CCC[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000127939764 426094334 /nfs/dbraw/zinc/09/43/34/426094334.db2.gz JHBHSODZJZERCE-ROUUACIJSA-N 1 3 317.477 2.705 20 0 DFADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc2c(c1)OCCO2 ZINC000163243145 426094508 /nfs/dbraw/zinc/09/45/08/426094508.db2.gz PBPFUOKIIRJQIC-HOCLYGCPSA-N 1 3 304.434 2.840 20 0 DFADHO C[C@@H]([NH2+]CCN1CCCCC1)c1ccc(OCCN(C)C)cc1 ZINC000128215839 426106213 /nfs/dbraw/zinc/10/62/13/426106213.db2.gz PTXNDFNCIRIQBY-QGZVFWFLSA-N 1 3 319.493 2.764 20 0 DFADHO CC(C)Oc1cccc([C@@H](O)CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000128266834 426110440 /nfs/dbraw/zinc/11/04/40/426110440.db2.gz SFKIFWLRPPXFCT-ZVZYQTTQSA-N 1 3 306.450 2.580 20 0 DFADHO CC(C)Oc1cccc([C@@H](O)CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000128266834 426110443 /nfs/dbraw/zinc/11/04/43/426110443.db2.gz SFKIFWLRPPXFCT-ZVZYQTTQSA-N 1 3 306.450 2.580 20 0 DFADHO CCCCN(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076428562 426112518 /nfs/dbraw/zinc/11/25/18/426112518.db2.gz QTHRFHHHBHZPKG-UHFFFAOYSA-N 1 3 317.477 2.631 20 0 DFADHO COC[C@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C(C)C ZINC000165898209 426124082 /nfs/dbraw/zinc/12/40/82/426124082.db2.gz MTXVDNRCQGKNMS-YJBOKZPZSA-N 1 3 308.466 2.949 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(F)cc1F ZINC000165965602 426124933 /nfs/dbraw/zinc/12/49/33/426124933.db2.gz XDZKPFAWFGBEGC-JSGCOSHPSA-N 1 3 300.393 2.972 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cc(F)cc(F)c1 ZINC000166004658 426126083 /nfs/dbraw/zinc/12/60/83/426126083.db2.gz BAXICSDNZRGBQE-MLGOLLRUSA-N 1 3 300.393 2.972 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CSCCc2ccccc21 ZINC000166034870 426126179 /nfs/dbraw/zinc/12/61/79/426126179.db2.gz BGUXCACYTURKPE-SJLPKXTDSA-N 1 3 322.518 2.963 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000166330742 426127028 /nfs/dbraw/zinc/12/70/28/426127028.db2.gz IYVWDGMMYJXDNR-RAUXBKROSA-N 1 3 315.505 2.969 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(CC)CCC[NH2+]1)c1ccccc1 ZINC000128688068 426129351 /nfs/dbraw/zinc/12/93/51/426129351.db2.gz PETJOLUBBVHKNB-PKOBYXMFSA-N 1 3 317.477 2.718 20 0 DFADHO CC[NH+]1CCC(CNCc2cncc(Br)c2)CC1 ZINC000166886225 426129793 /nfs/dbraw/zinc/12/97/93/426129793.db2.gz YLBRFMBHOYFHNG-UHFFFAOYSA-N 1 3 312.255 2.666 20 0 DFADHO COCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000167635468 426133236 /nfs/dbraw/zinc/13/32/36/426133236.db2.gz GBOUKCCCKFIMDE-BQFCYCMXSA-N 1 3 320.477 2.839 20 0 DFADHO CCCCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000114455121 426136081 /nfs/dbraw/zinc/13/60/81/426136081.db2.gz XPDOHVREAJJEOV-UHFFFAOYSA-N 1 3 311.514 2.876 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@@H](c1cccc(F)c1)N(C)C ZINC000133463966 426178418 /nfs/dbraw/zinc/17/84/18/426178418.db2.gz VVEHBQKUZZQMJP-BODMPHMZSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@@H](c1cccc(F)c1)N(C)C ZINC000133463966 426178421 /nfs/dbraw/zinc/17/84/21/426178421.db2.gz VVEHBQKUZZQMJP-BODMPHMZSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000133463966 426178423 /nfs/dbraw/zinc/17/84/23/426178423.db2.gz VVEHBQKUZZQMJP-BODMPHMZSA-N 1 3 307.457 2.747 20 0 DFADHO CCN(C)CCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000078678905 426180773 /nfs/dbraw/zinc/18/07/73/426180773.db2.gz GOZLFCZGDOLKNO-UHFFFAOYSA-N 1 3 305.466 2.598 20 0 DFADHO CCN(C)CCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000078678905 426180776 /nfs/dbraw/zinc/18/07/76/426180776.db2.gz GOZLFCZGDOLKNO-UHFFFAOYSA-N 1 3 305.466 2.598 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCn2cccn2)CC1 ZINC000171384288 426187687 /nfs/dbraw/zinc/18/76/87/426187687.db2.gz BDEMELFHBINDNS-UHFFFAOYSA-N 1 3 312.461 2.727 20 0 DFADHO C[N@H+](Cc1ccccc1)CC1CCN(CCn2cccn2)CC1 ZINC000171384288 426187689 /nfs/dbraw/zinc/18/76/89/426187689.db2.gz BDEMELFHBINDNS-UHFFFAOYSA-N 1 3 312.461 2.727 20 0 DFADHO CN(Cc1cncc(Br)c1)CC1CC[NH+](C)CC1 ZINC000134891310 426197924 /nfs/dbraw/zinc/19/79/24/426197924.db2.gz QBEGBVYNEWLNTJ-UHFFFAOYSA-N 1 3 312.255 2.618 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000150949966 426269148 /nfs/dbraw/zinc/26/91/48/426269148.db2.gz IWQZMWXYMZVXAP-HXUWFJFHSA-N 1 3 315.505 2.623 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCN(C)Cc1ccccc1 ZINC000121233321 426327927 /nfs/dbraw/zinc/32/79/27/426327927.db2.gz QNYGDPVGWWAIBM-LMMKCTJWSA-N 1 3 303.494 2.827 20 0 DFADHO CCC[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000121316349 426333738 /nfs/dbraw/zinc/33/37/38/426333738.db2.gz DAKWMXXVPRVARX-SFHVURJKSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000121365278 426337761 /nfs/dbraw/zinc/33/77/61/426337761.db2.gz YSPSOPZFQDKLMQ-MJGOQNOKSA-N 1 3 301.478 2.677 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000121365278 426337764 /nfs/dbraw/zinc/33/77/64/426337764.db2.gz YSPSOPZFQDKLMQ-MJGOQNOKSA-N 1 3 301.478 2.677 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000153652452 426397408 /nfs/dbraw/zinc/39/74/08/426397408.db2.gz WHQOIFBNODZXPS-KEYYUXOJSA-N 1 3 316.424 2.830 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000176004054 426345740 /nfs/dbraw/zinc/34/57/40/426345740.db2.gz KSRXYVPEWIMOJJ-YOEHRIQHSA-N 1 3 318.465 2.552 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000176004054 426345743 /nfs/dbraw/zinc/34/57/43/426345743.db2.gz KSRXYVPEWIMOJJ-YOEHRIQHSA-N 1 3 318.465 2.552 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cccc(OCCN(C)C)c1 ZINC000152872007 426358868 /nfs/dbraw/zinc/35/88/68/426358868.db2.gz ODWZVIGGCGQRSF-VKJFTORMSA-N 1 3 306.450 2.845 20 0 DFADHO Cc1cc(C)n(CC2CC[NH+](CCCN3CCCC3)CC2)n1 ZINC000153574577 426392529 /nfs/dbraw/zinc/39/25/29/426392529.db2.gz IQICTOHUCITTIQ-UHFFFAOYSA-N 1 3 304.482 2.698 20 0 DFADHO CC(C)CCNC(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123203903 426420305 /nfs/dbraw/zinc/42/03/05/426420305.db2.gz KZGCJHFPZBZOJY-INIZCTEOSA-N 1 3 311.514 2.591 20 0 DFADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123271991 426423395 /nfs/dbraw/zinc/42/33/95/426423395.db2.gz WHIGKGUGSGUZNB-HOTGVXAUSA-N 1 3 311.514 2.734 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000154225483 426431291 /nfs/dbraw/zinc/43/12/91/426431291.db2.gz WDVIKRFAEWIPTG-HXUWFJFHSA-N 1 3 315.505 2.625 20 0 DFADHO CCc1ccc([C@@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000154231111 426431315 /nfs/dbraw/zinc/43/13/15/426431315.db2.gz RRXMKOOHRBSEKQ-QGZVFWFLSA-N 1 3 303.494 2.927 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000154312067 426435413 /nfs/dbraw/zinc/43/54/13/426435413.db2.gz QOJCXGYHUPFSSF-IBGZPJMESA-N 1 3 301.478 2.681 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000154468813 426441219 /nfs/dbraw/zinc/44/12/19/426441219.db2.gz MODJDXICIMUSJH-LJQANCHMSA-N 1 3 301.478 2.681 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccccc2OC)CC1 ZINC000154480088 426442740 /nfs/dbraw/zinc/44/27/40/426442740.db2.gz YWBFSOGFGPZZNB-KRWDZBQOSA-N 1 3 319.493 2.764 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC)cc2)CC1 ZINC000154528829 426443983 /nfs/dbraw/zinc/44/39/83/426443983.db2.gz FXMPKJGDFKWODW-KRWDZBQOSA-N 1 3 319.493 2.764 20 0 DFADHO COC(=O)c1oc([C@H](C)N2CCC(C[NH+](C)C)CC2)cc1C ZINC000340762992 269008407 /nfs/dbraw/zinc/00/84/07/269008407.db2.gz DJSJOJHCAJGSGW-ZDUSSCGKSA-N 1 3 308.422 2.709 20 0 DFADHO CN(C)Cc1cccc(C[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000123650698 426446650 /nfs/dbraw/zinc/44/66/50/426446650.db2.gz CJYRIHNEIMSPIY-UHFFFAOYSA-N 1 3 311.420 2.567 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000124167037 426473767 /nfs/dbraw/zinc/47/37/67/426473767.db2.gz YNDVWOWOSZUSLX-RTBURBONSA-N 1 3 301.478 2.582 20 0 DFADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000124167037 426473771 /nfs/dbraw/zinc/47/37/71/426473771.db2.gz YNDVWOWOSZUSLX-RTBURBONSA-N 1 3 301.478 2.582 20 0 DFADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000124167037 426473774 /nfs/dbraw/zinc/47/37/74/426473774.db2.gz YNDVWOWOSZUSLX-RTBURBONSA-N 1 3 301.478 2.582 20 0 DFADHO C[C@H](c1ccc(F)cc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000177378471 426474072 /nfs/dbraw/zinc/47/40/72/426474072.db2.gz LEOPSXCVEMBJOP-OAHLLOKOSA-N 1 3 307.457 2.845 20 0 DFADHO C[C@H](c1ccc(F)cc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177378471 426474075 /nfs/dbraw/zinc/47/40/75/426474075.db2.gz LEOPSXCVEMBJOP-OAHLLOKOSA-N 1 3 307.457 2.845 20 0 DFADHO C[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)N1[C@H](C)CC[C@H]1C ZINC000101648908 426485490 /nfs/dbraw/zinc/48/54/90/426485490.db2.gz AIDROUOLONDNSG-KFWWJZLASA-N 1 3 309.498 2.627 20 0 DFADHO CCN1CCC([NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272368570 426509695 /nfs/dbraw/zinc/50/96/95/426509695.db2.gz UIUYJMRREDYNDA-MJGOQNOKSA-N 1 3 315.505 2.971 20 0 DFADHO CCOC(=O)N1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000186445590 426528945 /nfs/dbraw/zinc/52/89/45/426528945.db2.gz COOSGEMRNPQKOY-INIZCTEOSA-N 1 3 323.481 2.604 20 0 DFADHO CC[C@H](c1ccccc1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000195519341 426535093 /nfs/dbraw/zinc/53/50/93/426535093.db2.gz FXXLQODHSJNJEB-GOSISDBHSA-N 1 3 317.477 2.528 20 0 DFADHO CC(C)[NH+]1CCC(NCCc2nn(C)c3ccccc23)CC1 ZINC000186483402 426536166 /nfs/dbraw/zinc/53/61/66/426536166.db2.gz BYAGBIYGRFJMBN-UHFFFAOYSA-N 1 3 300.450 2.578 20 0 DFADHO C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000186491788 426537368 /nfs/dbraw/zinc/53/73/68/426537368.db2.gz WGVLVCPONYWKJS-HEDFYIJFSA-N 1 3 306.450 2.605 20 0 DFADHO Cc1nccn1CC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272485136 426537800 /nfs/dbraw/zinc/53/78/00/426537800.db2.gz MMCKRRFTYYELSL-LPHOPBHVSA-N 1 3 312.461 2.692 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)N2CCCCC2)C12CCOCC2 ZINC000186502494 426539587 /nfs/dbraw/zinc/53/95/87/426539587.db2.gz OOTRVGDMMUUDFR-KZNAEPCWSA-N 1 3 324.509 2.815 20 0 DFADHO CCO[C@@H]1C[C@@H](NCC[C@@H](C)[NH+]2CCCCC2)C12CCOCC2 ZINC000186502494 426539593 /nfs/dbraw/zinc/53/95/93/426539593.db2.gz OOTRVGDMMUUDFR-KZNAEPCWSA-N 1 3 324.509 2.815 20 0 DFADHO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000186520558 426542858 /nfs/dbraw/zinc/54/28/58/426542858.db2.gz SYRNESPKDRJTMQ-AMFYOEQGSA-N 1 3 306.450 2.605 20 0 DFADHO CC(C)n1nccc1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000280328786 426549913 /nfs/dbraw/zinc/54/99/13/426549913.db2.gz PVSGLWLWTNGEAA-UHFFFAOYSA-N 1 3 313.449 2.865 20 0 DFADHO COCCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177494125 426489483 /nfs/dbraw/zinc/48/94/83/426489483.db2.gz MNWKYKQYKVGXLG-CALCHBBNSA-N 1 3 312.498 2.624 20 0 DFADHO CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000178116593 426574257 /nfs/dbraw/zinc/57/42/57/426574257.db2.gz OYQZLRNZCIGZMT-QAPCUYQASA-N 1 3 308.466 2.685 20 0 DFADHO COc1ccc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1C ZINC000273053646 426584237 /nfs/dbraw/zinc/58/42/37/426584237.db2.gz KFAYQOOPNXKOJA-KRWDZBQOSA-N 1 3 319.493 2.682 20 0 DFADHO CN(C/C=C/c1ccccc1)CCN(C)C1CC[NH+](C)CC1 ZINC000289179843 426598373 /nfs/dbraw/zinc/59/83/73/426598373.db2.gz AJCABBCPQGLDQK-JXMROGBWSA-N 1 3 301.478 2.658 20 0 DFADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1cnn(C)c1 ZINC000272562493 426558164 /nfs/dbraw/zinc/55/81/64/426558164.db2.gz NXDIRDIXOXFNFD-JQERWDHBSA-N 1 3 324.472 2.981 20 0 DFADHO C[C@@H]([NH2+]CCNc1ccccn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272564262 426560646 /nfs/dbraw/zinc/56/06/46/426560646.db2.gz HANSSEMDMWMTBB-IEBWSBKVSA-N 1 3 324.472 2.994 20 0 DFADHO C[C@@H](NCCNc1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272564262 426560650 /nfs/dbraw/zinc/56/06/50/426560650.db2.gz HANSSEMDMWMTBB-IEBWSBKVSA-N 1 3 324.472 2.994 20 0 DFADHO C[C@@H](NCCNc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272564262 426560654 /nfs/dbraw/zinc/56/06/54/426560654.db2.gz HANSSEMDMWMTBB-IEBWSBKVSA-N 1 3 324.472 2.994 20 0 DFADHO C[C@H]([NH2+]CCNc1ccccn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272564258 426560821 /nfs/dbraw/zinc/56/08/21/426560821.db2.gz HANSSEMDMWMTBB-HKUYNNGSSA-N 1 3 324.472 2.994 20 0 DFADHO C[C@H](NCCNc1ccccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272564258 426560823 /nfs/dbraw/zinc/56/08/23/426560823.db2.gz HANSSEMDMWMTBB-HKUYNNGSSA-N 1 3 324.472 2.994 20 0 DFADHO C[C@H](NCCNc1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272564258 426560828 /nfs/dbraw/zinc/56/08/28/426560828.db2.gz HANSSEMDMWMTBB-HKUYNNGSSA-N 1 3 324.472 2.994 20 0 DFADHO CCCN(CC1CC[NH2+]CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000236972301 426686208 /nfs/dbraw/zinc/68/62/08/426686208.db2.gz YTNNSRQBRUIESK-OAHLLOKOSA-N 1 3 303.450 2.725 20 0 DFADHO C[C@@H]([NH2+]CCc1cscn1)c1cccc(OCCN(C)C)c1 ZINC000178472308 426636579 /nfs/dbraw/zinc/63/65/79/426636579.db2.gz KSCGJFWVXVDGKG-CQSZACIVSA-N 1 3 319.474 2.977 20 0 DFADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000178752159 426687483 /nfs/dbraw/zinc/68/74/83/426687483.db2.gz JQTCGJKSPRDWKG-ROUUACIJSA-N 1 3 321.509 2.761 20 0 DFADHO CCCCN1CCC([NH2+]Cc2ccc(C(=O)OC)cc2)CC1 ZINC000236759440 426684136 /nfs/dbraw/zinc/68/41/36/426684136.db2.gz GNYUBFMSRVVSGE-UHFFFAOYSA-N 1 3 304.434 2.827 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000178441991 426630410 /nfs/dbraw/zinc/63/04/10/426630410.db2.gz PHTZFGQOZCURLR-GOSISDBHSA-N 1 3 315.461 2.821 20 0 DFADHO COC[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CCOCC1 ZINC000187893588 426702871 /nfs/dbraw/zinc/70/28/71/426702871.db2.gz SYXMBUZRZWDQJZ-LJQANCHMSA-N 1 3 324.509 2.672 20 0 DFADHO COC[C@@H](NC1CC[NH+](CC2CCCC2)CC1)C1CCOCC1 ZINC000187893588 426702874 /nfs/dbraw/zinc/70/28/74/426702874.db2.gz SYXMBUZRZWDQJZ-LJQANCHMSA-N 1 3 324.509 2.672 20 0 DFADHO O[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000187884242 426703574 /nfs/dbraw/zinc/70/35/74/426703574.db2.gz WOBKMHWOVIVDIS-WPVAHCMFSA-N 1 3 314.473 2.790 20 0 DFADHO COC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000188103268 426722313 /nfs/dbraw/zinc/72/23/13/426722313.db2.gz WCHSOJLOADPPQC-LJQANCHMSA-N 1 3 324.509 2.815 20 0 DFADHO COC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000188103268 426722317 /nfs/dbraw/zinc/72/23/17/426722317.db2.gz WCHSOJLOADPPQC-LJQANCHMSA-N 1 3 324.509 2.815 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000280950800 426692674 /nfs/dbraw/zinc/69/26/74/426692674.db2.gz UBDDJXLTRORKQB-QGZVFWFLSA-N 1 3 302.462 2.845 20 0 DFADHO [NH3+]CCCCCCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000237986725 426701689 /nfs/dbraw/zinc/70/16/89/426701689.db2.gz ZWSBUVXZKKSVTC-GOSISDBHSA-N 1 3 317.477 2.849 20 0 DFADHO O[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC[C@@H](C(F)(F)F)C1 ZINC000188600382 426769342 /nfs/dbraw/zinc/76/93/42/426769342.db2.gz XFEMXRRZSYQHTL-KBUPBQIOSA-N 1 3 320.399 2.686 20 0 DFADHO O[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC[C@@H](C(F)(F)F)C1 ZINC000188600382 426769345 /nfs/dbraw/zinc/76/93/45/426769345.db2.gz XFEMXRRZSYQHTL-KBUPBQIOSA-N 1 3 320.399 2.686 20 0 DFADHO CCC[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccccn1 ZINC000245776439 426771360 /nfs/dbraw/zinc/77/13/60/426771360.db2.gz ADXMFXVSVAMXLU-IRXDYDNUSA-N 1 3 305.466 2.749 20 0 DFADHO CCC[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccccn1 ZINC000245776439 426771366 /nfs/dbraw/zinc/77/13/66/426771366.db2.gz ADXMFXVSVAMXLU-IRXDYDNUSA-N 1 3 305.466 2.749 20 0 DFADHO CCC[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000245791975 426771442 /nfs/dbraw/zinc/77/14/42/426771442.db2.gz NZKQYCIQSSWZJA-FGTMMUONSA-N 1 3 323.525 2.830 20 0 DFADHO CCC[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000245791975 426771447 /nfs/dbraw/zinc/77/14/47/426771447.db2.gz NZKQYCIQSSWZJA-FGTMMUONSA-N 1 3 323.525 2.830 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000290274254 426730715 /nfs/dbraw/zinc/73/07/15/426730715.db2.gz YTOQLVXHKZZRQA-PVAVHDDUSA-N 1 3 317.477 2.620 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000245528333 426749178 /nfs/dbraw/zinc/74/91/78/426749178.db2.gz GCKVTHZLLWPQHF-QFBILLFUSA-N 1 3 302.462 2.948 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)CN(Cc2ccccc2)C1 ZINC000274346941 426749291 /nfs/dbraw/zinc/74/92/91/426749291.db2.gz JNHPZIRRQZSGQC-XLIONFOSSA-N 1 3 313.489 2.749 20 0 DFADHO CN(CCO)C1CC[NH+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000290369894 426751692 /nfs/dbraw/zinc/75/16/92/426751692.db2.gz HNMRSKYTZIAALC-UHFFFAOYSA-N 1 3 318.505 2.915 20 0 DFADHO CC1CCC2(CC1)OC[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)O2 ZINC000245565495 426752532 /nfs/dbraw/zinc/75/25/32/426752532.db2.gz PPKNLAVFZBJNNY-IRCYLGDSSA-N 1 3 310.482 2.627 20 0 DFADHO CC1CCC2(CC1)OC[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)O2 ZINC000245565495 426752534 /nfs/dbraw/zinc/75/25/34/426752534.db2.gz PPKNLAVFZBJNNY-IRCYLGDSSA-N 1 3 310.482 2.627 20 0 DFADHO CCC[N@H+](CCCN(C)C)Cc1ccc(N2CCCC2)nc1 ZINC000290591113 426799788 /nfs/dbraw/zinc/79/97/88/426799788.db2.gz VHFJULLXFFBQTQ-UHFFFAOYSA-N 1 3 304.482 2.846 20 0 DFADHO CCC[N@@H+](CCCN(C)C)Cc1ccc(N2CCCC2)nc1 ZINC000290591113 426799794 /nfs/dbraw/zinc/79/97/94/426799794.db2.gz VHFJULLXFFBQTQ-UHFFFAOYSA-N 1 3 304.482 2.846 20 0 DFADHO CC(=O)Nc1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000290610943 426805541 /nfs/dbraw/zinc/80/55/41/426805541.db2.gz WMYIKOFIVMYCDD-SFHVURJKSA-N 1 3 315.461 2.809 20 0 DFADHO CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000290610943 426805545 /nfs/dbraw/zinc/80/55/45/426805545.db2.gz WMYIKOFIVMYCDD-SFHVURJKSA-N 1 3 315.461 2.809 20 0 DFADHO C[C@H](c1ccccn1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000267079258 426820843 /nfs/dbraw/zinc/82/08/43/426820843.db2.gz QKFJJANUJANYHE-BRWVUGGUSA-N 1 3 317.477 2.964 20 0 DFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000246371175 426825607 /nfs/dbraw/zinc/82/56/07/426825607.db2.gz OABYRMVKAHSGPY-NVXWUHKLSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000246371175 426825612 /nfs/dbraw/zinc/82/56/12/426825612.db2.gz OABYRMVKAHSGPY-NVXWUHKLSA-N 1 3 317.477 2.703 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000246375422 426826007 /nfs/dbraw/zinc/82/60/07/426826007.db2.gz HWPCHTKNVOMSSS-XMTFNYHQSA-N 1 3 323.525 2.732 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000246375422 426826010 /nfs/dbraw/zinc/82/60/10/426826010.db2.gz HWPCHTKNVOMSSS-XMTFNYHQSA-N 1 3 323.525 2.732 20 0 DFADHO CN1CCN(CC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1(C)C ZINC000282129021 426836139 /nfs/dbraw/zinc/83/61/39/426836139.db2.gz BHXWRBKZEFRSNA-GOSISDBHSA-N 1 3 316.493 2.538 20 0 DFADHO CN1CCC[C@@H](C[N@H+](C)C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000274790024 426838302 /nfs/dbraw/zinc/83/83/02/426838302.db2.gz NRMGJRXSAGHVKP-WBMJQRKESA-N 1 3 314.832 2.786 20 0 DFADHO CN1CCC[C@@H](C[N@@H+](C)C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000274790024 426838305 /nfs/dbraw/zinc/83/83/05/426838305.db2.gz NRMGJRXSAGHVKP-WBMJQRKESA-N 1 3 314.832 2.786 20 0 DFADHO CCN1CCC([NH2+]C[C@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000274824317 426843495 /nfs/dbraw/zinc/84/34/95/426843495.db2.gz ZFEXLEFKCFGZRF-HXUWFJFHSA-N 1 3 315.505 2.971 20 0 DFADHO CN1CCN(CC[NH2+]C2CC(c3ccc(F)cc3)C2)CC1(C)C ZINC000282188021 426849927 /nfs/dbraw/zinc/84/99/27/426849927.db2.gz GCGHJFFJVONRSJ-UHFFFAOYSA-N 1 3 319.468 2.687 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000274872210 426856018 /nfs/dbraw/zinc/85/60/18/426856018.db2.gz XOURHFOZQOASSY-MISYRCLQSA-N 1 3 315.505 2.971 20 0 DFADHO C[NH+]1CCC([C@H]2CCN(Cc3cccc4c3OCO4)C2)CC1 ZINC000290553582 426792763 /nfs/dbraw/zinc/79/27/63/426792763.db2.gz RXODVQBSVAPOKJ-HNNXBMFYSA-N 1 3 302.418 2.579 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553563 426792907 /nfs/dbraw/zinc/79/29/07/426792907.db2.gz RXIJZXDKTIBQQN-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553563 426792915 /nfs/dbraw/zinc/79/29/15/426792915.db2.gz RXIJZXDKTIBQQN-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553563 426792919 /nfs/dbraw/zinc/79/29/19/426792919.db2.gz RXIJZXDKTIBQQN-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553563 426792922 /nfs/dbraw/zinc/79/29/22/426792922.db2.gz RXIJZXDKTIBQQN-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO C[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)c1nc(-c2ccccc2)no1 ZINC000179478771 426793303 /nfs/dbraw/zinc/79/33/03/426793303.db2.gz ODYGXZAEVYLAML-FMKPAKJESA-N 1 3 314.433 2.912 20 0 DFADHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)c1nc(-c2ccccc2)no1 ZINC000179478771 426793309 /nfs/dbraw/zinc/79/33/09/426793309.db2.gz ODYGXZAEVYLAML-FMKPAKJESA-N 1 3 314.433 2.912 20 0 DFADHO C[C@@H]1CN(CCCC[N@@H+]2C[C@@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000246879738 426874822 /nfs/dbraw/zinc/87/48/22/426874822.db2.gz FTQWBDFEECVNCO-HZPDHXFCSA-N 1 3 312.498 2.765 20 0 DFADHO C[C@@H]1CN(CCCC[N@H+]2C[C@@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000246879738 426874825 /nfs/dbraw/zinc/87/48/25/426874825.db2.gz FTQWBDFEECVNCO-HZPDHXFCSA-N 1 3 312.498 2.765 20 0 DFADHO CC(C)OC1CC([NH2+]Cc2cccc(OCCN(C)C)c2)C1 ZINC000189520741 426878203 /nfs/dbraw/zinc/87/82/03/426878203.db2.gz AQEIPFPULPKFJS-UHFFFAOYSA-N 1 3 306.450 2.673 20 0 DFADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(F)c1 ZINC000282349980 426889280 /nfs/dbraw/zinc/88/92/80/426889280.db2.gz PERKBGFSPBQXSD-QGZVFWFLSA-N 1 3 307.457 2.892 20 0 DFADHO C[C@@H]1CSC[C@@H]1[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000295299581 426895792 /nfs/dbraw/zinc/89/57/92/426895792.db2.gz XMCOUADCZGZEPE-PBHICJAKSA-N 1 3 308.491 2.511 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CCSc3ccccc32)CC1(C)C ZINC000282387793 426897418 /nfs/dbraw/zinc/89/74/18/426897418.db2.gz RAMLCLNHULMFEW-INIZCTEOSA-N 1 3 319.518 2.839 20 0 DFADHO C[C@H](O)C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000305272965 426905999 /nfs/dbraw/zinc/90/59/99/426905999.db2.gz AJSFBQOEFUODLU-JCHJZTRSSA-N 1 3 302.462 2.758 20 0 DFADHO C[C@H](O)C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000305272965 426906002 /nfs/dbraw/zinc/90/60/02/426906002.db2.gz AJSFBQOEFUODLU-JCHJZTRSSA-N 1 3 302.462 2.758 20 0 DFADHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)N(C)C ZINC000247148421 426906758 /nfs/dbraw/zinc/90/67/58/426906758.db2.gz WTTBMLOZKOXUAE-IIAWOOMASA-N 1 3 323.506 2.587 20 0 DFADHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)N(C)C ZINC000247148421 426906769 /nfs/dbraw/zinc/90/67/69/426906769.db2.gz WTTBMLOZKOXUAE-IIAWOOMASA-N 1 3 323.506 2.587 20 0 DFADHO COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000247159120 426911717 /nfs/dbraw/zinc/91/17/17/426911717.db2.gz XRTJYGJZVRRXQE-RBUKOAKNSA-N 1 3 304.478 2.954 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)CN(C)C ZINC000291674926 426948824 /nfs/dbraw/zinc/94/88/24/426948824.db2.gz GZYIQHDQDFEXIT-INIZCTEOSA-N 1 3 321.484 2.620 20 0 DFADHO Cn1cc(-c2ccc(C[NH2+]CC3CCN(C)CC3)s2)cn1 ZINC000337834061 426994262 /nfs/dbraw/zinc/99/42/62/426994262.db2.gz WVRJHBXSQSHJHB-UHFFFAOYSA-N 1 3 304.463 2.580 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C12CCC2 ZINC000181616571 426967470 /nfs/dbraw/zinc/96/74/70/426967470.db2.gz BDUDBXYGHWVGAU-XMTFNYHQSA-N 1 3 324.509 2.813 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(C(=O)C(C)(C)C)CC1 ZINC000321967268 426973096 /nfs/dbraw/zinc/97/30/96/426973096.db2.gz NPYVBLHXVGVOEL-NVXWUHKLSA-N 1 3 323.525 2.924 20 0 DFADHO CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000181904206 426992053 /nfs/dbraw/zinc/99/20/53/426992053.db2.gz NARICMOPAZOTLO-MRXNPFEDSA-N 1 3 310.482 2.916 20 0 DFADHO CC(C)(C)OC(=O)CCCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000181904206 426992057 /nfs/dbraw/zinc/99/20/57/426992057.db2.gz NARICMOPAZOTLO-MRXNPFEDSA-N 1 3 310.482 2.916 20 0 DFADHO CC1CCN(CCC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000314774015 426930525 /nfs/dbraw/zinc/93/05/25/426930525.db2.gz KBDGGSNTPAOJGF-UONOGXRCSA-N 1 3 308.388 2.808 20 0 DFADHO CC(C)CCC[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000275867461 426937699 /nfs/dbraw/zinc/93/76/99/426937699.db2.gz YMYOYRRRLFRPOZ-UHFFFAOYSA-N 1 3 305.466 2.504 20 0 DFADHO CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248413952 426998013 /nfs/dbraw/zinc/99/80/13/426998013.db2.gz MBEMJSNVAZOCAI-IYWMVGAKSA-N 1 3 316.489 2.894 20 0 DFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248500769 427006309 /nfs/dbraw/zinc/00/63/09/427006309.db2.gz SSSOOKCXDAVXFA-DLBZAZTESA-N 1 3 309.498 2.630 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnccc2C)[C@H](C)C1 ZINC000276275279 427023356 /nfs/dbraw/zinc/02/33/56/427023356.db2.gz SQSTUAIBSOJEIT-SJLPKXTDSA-N 1 3 305.466 2.617 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000337899497 427027651 /nfs/dbraw/zinc/02/76/51/427027651.db2.gz ONZLKGHWCKYVGV-JZXOWHBKSA-N 1 3 304.482 2.904 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H](CNc2ccccn2)C1 ZINC000268545119 427047601 /nfs/dbraw/zinc/04/76/01/427047601.db2.gz LYQOLZHNHOIXEJ-DLBZAZTESA-N 1 3 302.466 2.690 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H](CNc2ccccn2)C1 ZINC000268545119 427047609 /nfs/dbraw/zinc/04/76/09/427047609.db2.gz LYQOLZHNHOIXEJ-DLBZAZTESA-N 1 3 302.466 2.690 20 0 DFADHO C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000248836676 427051519 /nfs/dbraw/zinc/05/15/19/427051519.db2.gz DEHNEPPIGZXATQ-JZXOWHBKSA-N 1 3 317.477 2.625 20 0 DFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(N)CCC3)cc2)C1 ZINC000296081992 427070542 /nfs/dbraw/zinc/07/05/42/427070542.db2.gz QOIUORJHPUDQMX-AWEZNQCLSA-N 1 3 301.434 2.738 20 0 DFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(N)CCC3)cc2)C1 ZINC000296081992 427070547 /nfs/dbraw/zinc/07/05/47/427070547.db2.gz QOIUORJHPUDQMX-AWEZNQCLSA-N 1 3 301.434 2.738 20 0 DFADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000248988384 427072765 /nfs/dbraw/zinc/07/27/65/427072765.db2.gz GTKIMNUQJQSVSP-SOUVJXGZSA-N 1 3 323.506 2.621 20 0 DFADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CCN(C)Cc1ccccc1 ZINC000296114106 427081098 /nfs/dbraw/zinc/08/10/98/427081098.db2.gz XYVLHWWYUGGJSO-HKUYNNGSSA-N 1 3 301.478 2.677 20 0 DFADHO CN1CCCN(CCC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000249083130 427084600 /nfs/dbraw/zinc/08/46/00/427084600.db2.gz AUSHVGANJJFQNA-CABCVRRESA-N 1 3 321.431 2.725 20 0 DFADHO C[C@H](CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000338002919 427087684 /nfs/dbraw/zinc/08/76/84/427087684.db2.gz SSDWUOKPPAZSFT-HMDCTGQHSA-N 1 3 309.498 2.627 20 0 DFADHO C[C@H](CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)[N@H+]1CCCC[C@H]1C ZINC000338002919 427087690 /nfs/dbraw/zinc/08/76/90/427087690.db2.gz SSDWUOKPPAZSFT-HMDCTGQHSA-N 1 3 309.498 2.627 20 0 DFADHO Cc1ccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])c(CN(C)C)c1 ZINC000296157255 427094914 /nfs/dbraw/zinc/09/49/14/427094914.db2.gz WILHOGWOARLYSZ-ZBFHGGJFSA-N 1 3 303.450 2.903 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c(CN(C)C)c1 ZINC000296157240 427095063 /nfs/dbraw/zinc/09/50/63/427095063.db2.gz WILHOGWOARLYSZ-GOEBONIOSA-N 1 3 303.450 2.903 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCOCC(F)(F)C(F)F)[C@@H](C)C1 ZINC000249290033 427104694 /nfs/dbraw/zinc/10/46/94/427104694.db2.gz MFZRKFDATTYEFK-NWDGAFQWSA-N 1 3 314.367 2.566 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCOCC(F)(F)C(F)F)[C@@H](C)C1 ZINC000249290033 427104697 /nfs/dbraw/zinc/10/46/97/427104697.db2.gz MFZRKFDATTYEFK-NWDGAFQWSA-N 1 3 314.367 2.566 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C)nc2C)[C@@H](C)C1 ZINC000249385580 427109280 /nfs/dbraw/zinc/10/92/80/427109280.db2.gz QZJSSZYPZJIDIM-HNAYVOBHSA-N 1 3 319.493 2.925 20 0 DFADHO C[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000338053792 427117896 /nfs/dbraw/zinc/11/78/96/427117896.db2.gz IXRFJZWXQUEKKT-BBWFWOEESA-N 1 3 323.525 2.971 20 0 DFADHO C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000338053792 427117900 /nfs/dbraw/zinc/11/79/00/427117900.db2.gz IXRFJZWXQUEKKT-BBWFWOEESA-N 1 3 323.525 2.971 20 0 DFADHO CC[C@H](C)[C@H](C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000268830877 427132066 /nfs/dbraw/zinc/13/20/66/427132066.db2.gz SFGVTMMHBBKXNL-IRXDYDNUSA-N 1 3 304.482 2.618 20 0 DFADHO C[C@H](C(=O)NCc1ccccc1CN(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249737641 427142383 /nfs/dbraw/zinc/14/23/83/427142383.db2.gz GQOQFAROCPIVAU-OWCLPIDISA-N 1 3 317.477 2.626 20 0 DFADHO C[C@H](C(=O)NCc1ccccc1CN(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249737641 427142388 /nfs/dbraw/zinc/14/23/88/427142388.db2.gz GQOQFAROCPIVAU-OWCLPIDISA-N 1 3 317.477 2.626 20 0 DFADHO CCCNC(=O)[C@@H](C)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000182787052 427147221 /nfs/dbraw/zinc/14/72/21/427147221.db2.gz HXHOGRNFCXHNTN-MRXNPFEDSA-N 1 3 311.514 2.735 20 0 DFADHO C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)N1CCCCCC1 ZINC000269172634 427151002 /nfs/dbraw/zinc/15/10/02/427151002.db2.gz AJPNGFZVXYLNQR-AWEZNQCLSA-N 1 3 301.434 2.535 20 0 DFADHO CC1CCN([C@@H](CNC(=O)C(C)(C)C[NH3+])c2cccs2)CC1 ZINC000163575711 271091327 /nfs/dbraw/zinc/09/13/27/271091327.db2.gz DQYNWGWTZAUOPB-AWEZNQCLSA-N 1 3 323.506 2.622 20 0 DFADHO C[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)[C@H](N)c1ccccc1 ZINC000165005589 271094427 /nfs/dbraw/zinc/09/44/27/271094427.db2.gz URWPHYXLILXWHM-YJBOKZPZSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)[C@H](N)c1ccccc1 ZINC000165005589 271094431 /nfs/dbraw/zinc/09/44/31/271094431.db2.gz URWPHYXLILXWHM-YJBOKZPZSA-N 1 3 317.477 2.703 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCOCC(F)(F)C(F)F)[C@H](C)C1 ZINC000189688789 271204379 /nfs/dbraw/zinc/20/43/79/271204379.db2.gz MFZRKFDATTYEFK-VXGBXAGGSA-N 1 3 314.367 2.566 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCOCC(F)(F)C(F)F)[C@H](C)C1 ZINC000189688789 271204382 /nfs/dbraw/zinc/20/43/82/271204382.db2.gz MFZRKFDATTYEFK-VXGBXAGGSA-N 1 3 314.367 2.566 20 0 DFADHO C[C@H](C[NH2+]CCCNC(=O)OC(C)(C)C)CN1CCCCC1 ZINC000227409701 271235786 /nfs/dbraw/zinc/23/57/86/271235786.db2.gz DJUZXYHNFFDVND-OAHLLOKOSA-N 1 3 313.486 2.613 20 0 DFADHO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)CS1 ZINC000277343060 427174031 /nfs/dbraw/zinc/17/40/31/427174031.db2.gz VFMVTUQMUQDZSY-JKSUJKDBSA-N 1 3 323.506 2.642 20 0 DFADHO c1ccc(C[C@@H]([NH2+]C[C@H]2CCN(C3CC3)C2)c2cccnc2)nc1 ZINC000338195011 427187459 /nfs/dbraw/zinc/18/74/59/427187459.db2.gz KDGTZMVSVCFIOW-OXQOHEQNSA-N 1 3 322.456 2.834 20 0 DFADHO C[C@H]1C[C@@H](CCNCc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000338201054 427189361 /nfs/dbraw/zinc/18/93/61/427189361.db2.gz YFASCWTWAFDBIR-FUHWJXTLSA-N 1 3 312.461 2.810 20 0 DFADHO C[C@H]1C[C@@H](CCNCc2cnn(C)c2)C[N@H+]1Cc1ccccc1 ZINC000338201054 427189367 /nfs/dbraw/zinc/18/93/67/427189367.db2.gz YFASCWTWAFDBIR-FUHWJXTLSA-N 1 3 312.461 2.810 20 0 DFADHO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284353786 427190475 /nfs/dbraw/zinc/19/04/75/427190475.db2.gz MMLSLGHFEDUJOI-HNAYVOBHSA-N 1 3 318.461 2.674 20 0 DFADHO C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000296486220 427197736 /nfs/dbraw/zinc/19/77/36/427197736.db2.gz OLEWEPMVOPLLOD-HUUCEWRRSA-N 1 3 308.466 2.827 20 0 DFADHO C[C@H](O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183142226 427210267 /nfs/dbraw/zinc/21/02/67/427210267.db2.gz SJVOZGCFDJLRJE-DSLXNQLJSA-N 1 3 302.462 2.648 20 0 DFADHO Cc1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)cc1C ZINC000191011645 427230143 /nfs/dbraw/zinc/23/01/43/427230143.db2.gz MBHDCMWECKHPJE-UHFFFAOYSA-N 1 3 303.494 2.761 20 0 DFADHO Cc1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1C ZINC000191011645 427230150 /nfs/dbraw/zinc/23/01/50/427230150.db2.gz MBHDCMWECKHPJE-UHFFFAOYSA-N 1 3 303.494 2.761 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338328384 427262334 /nfs/dbraw/zinc/26/23/34/427262334.db2.gz RSJFZJULJHHGEI-WOJBJXKFSA-N 1 3 316.489 2.887 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338328384 427262339 /nfs/dbraw/zinc/26/23/39/427262339.db2.gz RSJFZJULJHHGEI-WOJBJXKFSA-N 1 3 316.489 2.887 20 0 DFADHO C[C@H]1C[N@H+](CCCNCc2cccc3cccnc32)CCCO1 ZINC000277675192 427280646 /nfs/dbraw/zinc/28/06/46/427280646.db2.gz GIFRRXWEEAMQHB-INIZCTEOSA-N 1 3 313.445 2.825 20 0 DFADHO C[C@H]1C[N@@H+](CCCNCc2cccc3cccnc32)CCCO1 ZINC000277675192 427280650 /nfs/dbraw/zinc/28/06/50/427280650.db2.gz GIFRRXWEEAMQHB-INIZCTEOSA-N 1 3 313.445 2.825 20 0 DFADHO CC1(C)Cc2cccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2O1 ZINC000262135740 427352171 /nfs/dbraw/zinc/35/21/71/427352171.db2.gz LXFIAUNRDHWWOW-XIRDDKMYSA-N 1 3 300.446 2.959 20 0 DFADHO C[C@H](CC(=O)OC(C)(C)C)NCc1cccc(C[NH+](C)C)c1 ZINC000183692990 427322270 /nfs/dbraw/zinc/32/22/70/427322270.db2.gz TVULLANOFJNXDP-CQSZACIVSA-N 1 3 306.450 2.958 20 0 DFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000338691024 271576248 /nfs/dbraw/zinc/57/62/48/271576248.db2.gz WLZCZUNPRUKULY-DBVUQKKJSA-N 1 3 315.505 2.794 20 0 DFADHO C[C@H](C[C@@H]1COCCN1)[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000261949433 427348123 /nfs/dbraw/zinc/34/81/23/427348123.db2.gz WBVHBAGDCQXKLX-QZTJIDSGSA-N 1 3 323.525 2.532 20 0 DFADHO C[C@H](C[C@@H]1COCCN1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000261949433 427348127 /nfs/dbraw/zinc/34/81/27/427348127.db2.gz WBVHBAGDCQXKLX-QZTJIDSGSA-N 1 3 323.525 2.532 20 0 DFADHO C[NH2+]CCC1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000261990260 427348313 /nfs/dbraw/zinc/34/83/13/427348313.db2.gz LPZTZEMYPMKYEU-GOSISDBHSA-N 1 3 315.461 2.504 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)CN(C)C ZINC000293351963 427296372 /nfs/dbraw/zinc/29/63/72/427296372.db2.gz HACBNOZELXMTAF-AOIWGVFYSA-N 1 3 303.494 2.684 20 0 DFADHO COC(=O)C(C)(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000338571941 427387677 /nfs/dbraw/zinc/38/76/77/427387677.db2.gz NSAJQMMCEPEJOL-HUUCEWRRSA-N 1 3 310.482 2.818 20 0 DFADHO COC(=O)C(C)(C)CCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338571941 427387681 /nfs/dbraw/zinc/38/76/81/427387681.db2.gz NSAJQMMCEPEJOL-HUUCEWRRSA-N 1 3 310.482 2.818 20 0 DFADHO COC(=O)C(C)(C)CCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338571941 427387686 /nfs/dbraw/zinc/38/76/86/427387686.db2.gz NSAJQMMCEPEJOL-HUUCEWRRSA-N 1 3 310.482 2.818 20 0 DFADHO c1ccc(C[N@H+]2CC[C@H](N3CCN(CC4CCC4)CC3)C2)cc1 ZINC000285999865 427399568 /nfs/dbraw/zinc/39/95/68/427399568.db2.gz OTGXONQUXJQIDU-FQEVSTJZSA-N 1 3 313.489 2.679 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(CC4CCC4)CC3)C2)cc1 ZINC000285999865 427399574 /nfs/dbraw/zinc/39/95/74/427399574.db2.gz OTGXONQUXJQIDU-FQEVSTJZSA-N 1 3 313.489 2.679 20 0 DFADHO CCC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCOCC1 ZINC000297327836 427402098 /nfs/dbraw/zinc/40/20/98/427402098.db2.gz CPVVCVPZSRPUNK-UHFFFAOYSA-N 1 3 303.450 2.847 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)CO2 ZINC000297504826 427407228 /nfs/dbraw/zinc/40/72/28/427407228.db2.gz CDVQIGKTYNGREB-RDJZCZTQSA-N 1 3 318.461 2.709 20 0 DFADHO c1cc(N2CCC([NH2+][C@H]3CCO[C@@H](C4CC4)C3)CC2)ccn1 ZINC000297611494 427416810 /nfs/dbraw/zinc/41/68/10/427416810.db2.gz KPGRIRWHBFIWGH-FUHWJXTLSA-N 1 3 301.434 2.598 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000191465140 427356247 /nfs/dbraw/zinc/35/62/47/427356247.db2.gz WWPBITLQYHGECL-FQEVSTJZSA-N 1 3 315.505 2.892 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000191465140 427356251 /nfs/dbraw/zinc/35/62/51/427356251.db2.gz WWPBITLQYHGECL-FQEVSTJZSA-N 1 3 315.505 2.892 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277925135 427362019 /nfs/dbraw/zinc/36/20/19/427362019.db2.gz YIDLVRIMFSEDLF-LJQANCHMSA-N 1 3 316.489 2.788 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(CO)(Cc2ccccc2)CC1 ZINC000277925135 427362024 /nfs/dbraw/zinc/36/20/24/427362024.db2.gz YIDLVRIMFSEDLF-LJQANCHMSA-N 1 3 316.489 2.788 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC(CO)(Cc2ccccc2)CC1 ZINC000277925135 427362029 /nfs/dbraw/zinc/36/20/29/427362029.db2.gz YIDLVRIMFSEDLF-LJQANCHMSA-N 1 3 316.489 2.788 20 0 DFADHO CO[C@@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C1CC1 ZINC000293563154 427364616 /nfs/dbraw/zinc/36/46/16/427364616.db2.gz ASCLGONBBPQTMT-KSSFIOAISA-N 1 3 306.450 2.703 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2CCF)C1 ZINC000285903133 427367010 /nfs/dbraw/zinc/36/70/10/427367010.db2.gz BKIPTAKWOGOBON-ATZDWAIDSA-N 1 3 320.452 2.871 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccccc1-n1ccnn1 ZINC000286227391 427459908 /nfs/dbraw/zinc/45/99/08/427459908.db2.gz SRRNNYDBFSZZQD-JYJNAYRXSA-N 1 3 313.449 2.791 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192057825 427470985 /nfs/dbraw/zinc/47/09/85/427470985.db2.gz HWZNIYMIWZUKBN-KRWDZBQOSA-N 1 3 312.461 2.954 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192057825 427470989 /nfs/dbraw/zinc/47/09/89/427470989.db2.gz HWZNIYMIWZUKBN-KRWDZBQOSA-N 1 3 312.461 2.954 20 0 DFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H](N)c1ccccc1 ZINC000263370709 427474317 /nfs/dbraw/zinc/47/43/17/427474317.db2.gz XZAMSJKPMYJAIV-DFGXFYAUSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H](N)c1ccccc1 ZINC000263370709 427474325 /nfs/dbraw/zinc/47/43/25/427474325.db2.gz XZAMSJKPMYJAIV-DFGXFYAUSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccnc(N)c1 ZINC000278871996 427482996 /nfs/dbraw/zinc/48/29/96/427482996.db2.gz OEMSPDADHQYDKV-YJBOKZPZSA-N 1 3 310.445 2.664 20 0 DFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccnc(N)c1 ZINC000278871996 427483007 /nfs/dbraw/zinc/48/30/07/427483007.db2.gz OEMSPDADHQYDKV-YJBOKZPZSA-N 1 3 310.445 2.664 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ccccc2F)C1 ZINC000293749552 427422365 /nfs/dbraw/zinc/42/23/65/427422365.db2.gz RFHKISSROWKPMY-ANQUJSFKSA-N 1 3 305.441 2.723 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ccccc2F)C1 ZINC000293749552 427422369 /nfs/dbraw/zinc/42/23/69/427422369.db2.gz RFHKISSROWKPMY-ANQUJSFKSA-N 1 3 305.441 2.723 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ccccc2F)C1 ZINC000293749556 427423783 /nfs/dbraw/zinc/42/37/83/427423783.db2.gz RFHKISSROWKPMY-PNBKFKSVSA-N 1 3 305.441 2.723 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ccccc2F)C1 ZINC000293749556 427423788 /nfs/dbraw/zinc/42/37/88/427423788.db2.gz RFHKISSROWKPMY-PNBKFKSVSA-N 1 3 305.441 2.723 20 0 DFADHO FC(F)(F)c1cccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000293775561 427432806 /nfs/dbraw/zinc/43/28/06/427432806.db2.gz SMVOZTRIQHKATC-ZIAGYGMSSA-N 1 3 313.367 2.859 20 0 DFADHO FC(F)(F)c1cccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000293775561 427432812 /nfs/dbraw/zinc/43/28/12/427432812.db2.gz SMVOZTRIQHKATC-ZIAGYGMSSA-N 1 3 313.367 2.859 20 0 DFADHO C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)CN(C)C ZINC000293805725 427442608 /nfs/dbraw/zinc/44/26/08/427442608.db2.gz VHXJBYPSSQKAJB-RSPOEFSDSA-N 1 3 315.505 2.969 20 0 DFADHO COCC[N@H+](C)CCCC1CCN([C@@H](C)c2cnccn2)CC1 ZINC000184704719 427521863 /nfs/dbraw/zinc/52/18/63/427521863.db2.gz NLTUAXNGUQOWAN-INIZCTEOSA-N 1 3 320.481 2.608 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN([C@@H](C)c2cnccn2)CC1 ZINC000184704719 427521868 /nfs/dbraw/zinc/52/18/68/427521868.db2.gz NLTUAXNGUQOWAN-INIZCTEOSA-N 1 3 320.481 2.608 20 0 DFADHO c1ccc(CN2CC[C@H](N3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000271437392 427538981 /nfs/dbraw/zinc/53/89/81/427538981.db2.gz RCASYOLNUQGKCW-PMACEKPBSA-N 1 3 313.489 2.821 20 0 DFADHO O[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)CN1CCCC1 ZINC000298222283 427540578 /nfs/dbraw/zinc/54/05/78/427540578.db2.gz SHNHMDXQRJJZHO-IAGOWNOFSA-N 1 3 308.853 2.837 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](O)c1c(F)cccc1F ZINC000271449057 427541383 /nfs/dbraw/zinc/54/13/83/427541383.db2.gz FKMASLDVUXWQQL-RBNVPPIJSA-N 1 3 312.404 2.849 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](O)c1c(F)cccc1F ZINC000271449057 427541386 /nfs/dbraw/zinc/54/13/86/427541386.db2.gz FKMASLDVUXWQQL-RBNVPPIJSA-N 1 3 312.404 2.849 20 0 DFADHO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298233397 427541701 /nfs/dbraw/zinc/54/17/01/427541701.db2.gz BMVBLQNSDKCBEP-IAGOWNOFSA-N 1 3 316.493 2.760 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCN2C)cc1 ZINC000263697690 427544219 /nfs/dbraw/zinc/54/42/19/427544219.db2.gz RPJLDLVNFMPDRR-SFHVURJKSA-N 1 3 317.477 2.743 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCN2C)cc1 ZINC000263697690 427544225 /nfs/dbraw/zinc/54/42/25/427544225.db2.gz RPJLDLVNFMPDRR-SFHVURJKSA-N 1 3 317.477 2.743 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)[C@H](C)C1 ZINC000271456841 427544895 /nfs/dbraw/zinc/54/48/95/427544895.db2.gz GWCOQPRFNKDVLN-UGFHNGPFSA-N 1 3 314.832 2.832 20 0 DFADHO Clc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cn1 ZINC000298466333 427618048 /nfs/dbraw/zinc/61/80/48/427618048.db2.gz OSKBVCMWVOQXOJ-UHFFFAOYSA-N 1 3 302.809 2.889 20 0 DFADHO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000192536408 427558986 /nfs/dbraw/zinc/55/89/86/427558986.db2.gz DGNUVCQUAIFKPL-NEWSRXKRSA-N 1 3 302.462 2.566 20 0 DFADHO Fc1cccc(OCC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298318033 427569587 /nfs/dbraw/zinc/56/95/87/427569587.db2.gz IFNVGRABNVKQMG-UHFFFAOYSA-N 1 3 315.392 2.858 20 0 DFADHO CCOCCN(C)Cc1cccc(C[N@H+](C)CCOCC)c1 ZINC000271526669 427572869 /nfs/dbraw/zinc/57/28/69/427572869.db2.gz WPBRBJVIBAAGQL-UHFFFAOYSA-N 1 3 308.466 2.623 20 0 DFADHO CCOCCN(C)Cc1cccc(C[N@@H+](C)CCOCC)c1 ZINC000271526669 427572877 /nfs/dbraw/zinc/57/28/77/427572877.db2.gz WPBRBJVIBAAGQL-UHFFFAOYSA-N 1 3 308.466 2.623 20 0 DFADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000298326898 427573200 /nfs/dbraw/zinc/57/32/00/427573200.db2.gz VIJLCLWRMXNQKE-IUODEOHRSA-N 1 3 316.367 2.813 20 0 DFADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298335044 427574971 /nfs/dbraw/zinc/57/49/71/427574971.db2.gz JAOXPKCVIAAEGG-HNNXBMFYSA-N 1 3 311.429 2.977 20 0 DFADHO C[C@H](Cc1ccc(O)cc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298335050 427575047 /nfs/dbraw/zinc/57/50/47/427575047.db2.gz JAOXPKCVIAAEGG-OAHLLOKOSA-N 1 3 311.429 2.977 20 0 DFADHO C[C@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)CCN1Cc1ccccc1 ZINC000271912233 427594407 /nfs/dbraw/zinc/59/44/07/427594407.db2.gz YCAGWXHXFWYDGJ-FXAWDEMLSA-N 1 3 313.489 2.891 20 0 DFADHO C[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000192734366 427598285 /nfs/dbraw/zinc/59/82/85/427598285.db2.gz OQHSZRSEKPWBEQ-MRXNPFEDSA-N 1 3 312.461 2.983 20 0 DFADHO Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192924499 427636837 /nfs/dbraw/zinc/63/68/37/427636837.db2.gz DVUVNVFIEWYDTD-GOSISDBHSA-N 1 3 312.461 2.649 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000342259627 271977612 /nfs/dbraw/zinc/97/76/12/271977612.db2.gz HJVJMMMFBJKEFA-QGZVFWFLSA-N 1 3 309.498 2.585 20 0 DFADHO CN(C)[C@@H](C[NH2+]C1CCN(C2CC2)CC1)c1ccc(F)cc1 ZINC000298555264 427649159 /nfs/dbraw/zinc/64/91/59/427649159.db2.gz VHBQEFXBQRKCOM-SFHVURJKSA-N 1 3 305.441 2.645 20 0 DFADHO CN(C)[C@@H](CNC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000298555264 427649175 /nfs/dbraw/zinc/64/91/75/427649175.db2.gz VHBQEFXBQRKCOM-SFHVURJKSA-N 1 3 305.441 2.645 20 0 DFADHO CCn1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000272146963 427649162 /nfs/dbraw/zinc/64/91/62/427649162.db2.gz CMACAWYQOZICSQ-QFBILLFUSA-N 1 3 312.461 2.903 20 0 DFADHO COc1ccccc1C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339068591 427660088 /nfs/dbraw/zinc/66/00/88/427660088.db2.gz RMIKZEVFRQBBKL-JKSUJKDBSA-N 1 3 300.446 2.943 20 0 DFADHO COc1ccccc1C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339068591 427660093 /nfs/dbraw/zinc/66/00/93/427660093.db2.gz RMIKZEVFRQBBKL-JKSUJKDBSA-N 1 3 300.446 2.943 20 0 DFADHO C[C@H](CCc1ccccc1)CN1CCC([N@H+](C)CCO)CC1 ZINC000342952573 272070800 /nfs/dbraw/zinc/07/08/00/272070800.db2.gz PSDVZOQOCWGIDD-QGZVFWFLSA-N 1 3 304.478 2.644 20 0 DFADHO C[C@H](CCc1ccccc1)CN1CCC([N@@H+](C)CCO)CC1 ZINC000342952573 272070802 /nfs/dbraw/zinc/07/08/02/272070802.db2.gz PSDVZOQOCWGIDD-QGZVFWFLSA-N 1 3 304.478 2.644 20 0 DFADHO CC1CCC2(CC1)OC[C@H](CNC1C[C@H]3CC[C@@H](C1)[N@H+]3C)O2 ZINC000193108159 427666966 /nfs/dbraw/zinc/66/69/66/427666966.db2.gz ONPAXNLXLQIWTH-SOPAXANKSA-N 1 3 308.466 2.523 20 0 DFADHO CC1CCC2(CC1)OC[C@H](CNC1C[C@H]3CC[C@@H](C1)[N@@H+]3C)O2 ZINC000193108159 427666974 /nfs/dbraw/zinc/66/69/74/427666974.db2.gz ONPAXNLXLQIWTH-SOPAXANKSA-N 1 3 308.466 2.523 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H]1CCc2cc(F)c(OC)cc21 ZINC000343446773 272148786 /nfs/dbraw/zinc/14/87/86/272148786.db2.gz MENMKLFNFJDPAZ-KRWDZBQOSA-N 1 3 324.440 2.770 20 0 DFADHO C[N@@H+]1CC[C@](O)(CN[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000343569497 272173775 /nfs/dbraw/zinc/17/37/75/272173775.db2.gz RXIZSXDZZVTMBW-PMACEKPBSA-N 1 3 310.441 2.627 20 0 DFADHO C[N@H+]1CC[C@](O)(CN[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000343569497 272173778 /nfs/dbraw/zinc/17/37/78/272173778.db2.gz RXIZSXDZZVTMBW-PMACEKPBSA-N 1 3 310.441 2.627 20 0 DFADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CCN(C3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000343720461 272207350 /nfs/dbraw/zinc/20/73/50/272207350.db2.gz VFRVHNIEIONIPF-FGTMMUONSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCC[C@@H](C[N@H+]2CCN(C3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000343720461 272207353 /nfs/dbraw/zinc/20/73/53/272207353.db2.gz VFRVHNIEIONIPF-FGTMMUONSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccncc2OCCN(C)C)[C@H](C)C1 ZINC000343948327 272242186 /nfs/dbraw/zinc/24/21/86/272242186.db2.gz XYDHIUNJYYNANH-INMHGKMJSA-N 1 3 305.466 2.936 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000343982072 272246671 /nfs/dbraw/zinc/24/66/71/272246671.db2.gz KTBGUTXHEDQGCO-HOTGVXAUSA-N 1 3 305.466 2.936 20 0 DFADHO Cc1nn(C)cc1C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272239840 427681314 /nfs/dbraw/zinc/68/13/14/427681314.db2.gz WIEWOADNOFKVLG-CRAIPNDOSA-N 1 3 312.461 2.729 20 0 DFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)N(CC)CC ZINC000345043489 272397550 /nfs/dbraw/zinc/39/75/50/272397550.db2.gz HUEGQEVAPXUSTM-XMTFNYHQSA-N 1 3 323.525 2.971 20 0 DFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)N(CC)CC ZINC000345043489 272397553 /nfs/dbraw/zinc/39/75/53/272397553.db2.gz HUEGQEVAPXUSTM-XMTFNYHQSA-N 1 3 323.525 2.971 20 0 DFADHO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185678208 427689429 /nfs/dbraw/zinc/68/94/29/427689429.db2.gz XZELOUXRFLMRIM-AYBZRNKSSA-N 1 3 302.462 2.963 20 0 DFADHO O=C(Nc1ccccc1)C1CC[NH+](CCCN2CCCC2)CC1 ZINC000193465971 427695155 /nfs/dbraw/zinc/69/51/55/427695155.db2.gz QVBVRSFUFIKTDM-UHFFFAOYSA-N 1 3 315.461 2.823 20 0 DFADHO Cc1nccn1CCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000336854364 427759981 /nfs/dbraw/zinc/75/99/81/427759981.db2.gz DTTOQKRFXJPDIJ-SJLPKXTDSA-N 1 3 304.482 2.778 20 0 DFADHO Cc1nccn1CCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000336854364 427759983 /nfs/dbraw/zinc/75/99/83/427759983.db2.gz DTTOQKRFXJPDIJ-SJLPKXTDSA-N 1 3 304.482 2.778 20 0 DFADHO Cc1nccn1CCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000336854363 427760439 /nfs/dbraw/zinc/76/04/39/427760439.db2.gz DTTOQKRFXJPDIJ-FUHWJXTLSA-N 1 3 304.482 2.778 20 0 DFADHO Cc1nccn1CCN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000336854363 427760441 /nfs/dbraw/zinc/76/04/41/427760441.db2.gz DTTOQKRFXJPDIJ-FUHWJXTLSA-N 1 3 304.482 2.778 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336656301 427746514 /nfs/dbraw/zinc/74/65/14/427746514.db2.gz MAAGTHUAWMUGNF-QXAKKESOSA-N 1 3 313.489 2.723 20 0 DFADHO C[C@H](N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336656301 427746517 /nfs/dbraw/zinc/74/65/17/427746517.db2.gz MAAGTHUAWMUGNF-QXAKKESOSA-N 1 3 313.489 2.723 20 0 DFADHO C[C@H](N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656301 427746519 /nfs/dbraw/zinc/74/65/19/427746519.db2.gz MAAGTHUAWMUGNF-QXAKKESOSA-N 1 3 313.489 2.723 20 0 DFADHO Cc1nccn1CC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000336714908 427749439 /nfs/dbraw/zinc/74/94/39/427749439.db2.gz OCAOYMGRCKPBAR-LJQANCHMSA-N 1 3 312.461 2.645 20 0 DFADHO Cc1nccn1CC[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000336714908 427749442 /nfs/dbraw/zinc/74/94/42/427749442.db2.gz OCAOYMGRCKPBAR-LJQANCHMSA-N 1 3 312.461 2.645 20 0 DFADHO Cc1nccn1CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336714908 427749444 /nfs/dbraw/zinc/74/94/44/427749444.db2.gz OCAOYMGRCKPBAR-LJQANCHMSA-N 1 3 312.461 2.645 20 0 DFADHO Cc1nccn1CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336714908 427749448 /nfs/dbraw/zinc/74/94/48/427749448.db2.gz OCAOYMGRCKPBAR-LJQANCHMSA-N 1 3 312.461 2.645 20 0 DFADHO CC[C@@H](Cn1cncn1)NCc1ccccc1C[NH+](CC)CC ZINC000340470580 427857276 /nfs/dbraw/zinc/85/72/76/427857276.db2.gz OLUVBAXJFPABTP-SFHVURJKSA-N 1 3 315.465 2.688 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1CC(C)(C)C1 ZINC000339656031 427807989 /nfs/dbraw/zinc/80/79/89/427807989.db2.gz ZWBTWNOPLHNXNE-KRWDZBQOSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1CC(C)(C)C1 ZINC000339656031 427807991 /nfs/dbraw/zinc/80/79/91/427807991.db2.gz ZWBTWNOPLHNXNE-KRWDZBQOSA-N 1 3 323.525 2.687 20 0 DFADHO CC(C)C[C@H](C)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000337194660 427813082 /nfs/dbraw/zinc/81/30/82/427813082.db2.gz WJCDTENKTHPXRM-HTUJPFKRSA-N 1 3 307.526 2.911 20 0 DFADHO CC(C)C[C@H](C)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000337194660 427813085 /nfs/dbraw/zinc/81/30/85/427813085.db2.gz WJCDTENKTHPXRM-HTUJPFKRSA-N 1 3 307.526 2.911 20 0 DFADHO CCc1cc(N2CCN(CCOC)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301769118 427822424 /nfs/dbraw/zinc/82/24/24/427822424.db2.gz CVYWFBRHCQVTGM-HNNXBMFYSA-N 1 3 313.445 2.954 20 0 DFADHO CCc1cc(N2CCN([C@@H](C)COC)CC2)c2ccccc2[nH+]1 ZINC000301764515 427822460 /nfs/dbraw/zinc/82/24/60/427822460.db2.gz AUDCHGDNHGYGEQ-HNNXBMFYSA-N 1 3 313.445 2.954 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000349656407 427837667 /nfs/dbraw/zinc/83/76/67/427837667.db2.gz PPTSKYDESGRKPV-KZNAEPCWSA-N 1 3 323.525 2.686 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000349656407 427837671 /nfs/dbraw/zinc/83/76/71/427837671.db2.gz PPTSKYDESGRKPV-KZNAEPCWSA-N 1 3 323.525 2.686 20 0 DFADHO CC[N@H+](C)CCNc1cc(C)nc2ccc(OC(F)F)cc21 ZINC000359481292 427869450 /nfs/dbraw/zinc/86/94/50/427869450.db2.gz NGLSQLZDGWDUDP-UHFFFAOYSA-N 1 3 309.360 2.930 20 0 DFADHO CC[N@@H+](C)CCNc1cc(C)nc2ccc(OC(F)F)cc21 ZINC000359481292 427869455 /nfs/dbraw/zinc/86/94/55/427869455.db2.gz NGLSQLZDGWDUDP-UHFFFAOYSA-N 1 3 309.360 2.930 20 0 DFADHO CC[N@H+](CCC1CCN(C[C@H](O)C(F)(F)F)CC1)CC(C)C ZINC000359589262 427925521 /nfs/dbraw/zinc/92/55/21/427925521.db2.gz ZYTJJWOPDFALFC-HNNXBMFYSA-N 1 3 324.431 2.990 20 0 DFADHO CC[N@@H+](CCC1CCN(C[C@H](O)C(F)(F)F)CC1)CC(C)C ZINC000359589262 427925523 /nfs/dbraw/zinc/92/55/23/427925523.db2.gz ZYTJJWOPDFALFC-HNNXBMFYSA-N 1 3 324.431 2.990 20 0 DFADHO C[NH+]1CCC(C)(CNCc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000355781255 427889524 /nfs/dbraw/zinc/88/95/24/427889524.db2.gz WGSVXEKXPLSVDS-UHFFFAOYSA-N 1 3 316.424 2.833 20 0 DFADHO C[C@H](C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCCC1 ZINC000345775767 427901401 /nfs/dbraw/zinc/90/14/01/427901401.db2.gz JENALPSPENXELU-XWTMOSNGSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCCC1 ZINC000345775767 427901405 /nfs/dbraw/zinc/90/14/05/427901405.db2.gz JENALPSPENXELU-XWTMOSNGSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000355823688 427908449 /nfs/dbraw/zinc/90/84/49/427908449.db2.gz YXUZNICJNUBNEP-HOTGVXAUSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000355823688 427908456 /nfs/dbraw/zinc/90/84/56/427908456.db2.gz YXUZNICJNUBNEP-HOTGVXAUSA-N 1 3 317.477 2.741 20 0 DFADHO CC[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N(CC)CC ZINC000345808969 427915654 /nfs/dbraw/zinc/91/56/54/427915654.db2.gz SYLCJXNFENRSID-CVEARBPZSA-N 1 3 311.514 2.734 20 0 DFADHO CC[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N(CC)CC ZINC000345808969 427915660 /nfs/dbraw/zinc/91/56/60/427915660.db2.gz SYLCJXNFENRSID-CVEARBPZSA-N 1 3 311.514 2.734 20 0 DFADHO CCC[C@@H](C)CC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000337567134 427962178 /nfs/dbraw/zinc/96/21/78/427962178.db2.gz ALINYKFLXQPRMK-IAGOWNOFSA-N 1 3 311.514 2.687 20 0 DFADHO CCC[C@@H](C)CC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000337567134 427962181 /nfs/dbraw/zinc/96/21/81/427962181.db2.gz ALINYKFLXQPRMK-IAGOWNOFSA-N 1 3 311.514 2.687 20 0 DFADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340256388 427968740 /nfs/dbraw/zinc/96/87/40/427968740.db2.gz HQBXSORAQGAZAD-COXVUDFISA-N 1 3 304.434 2.997 20 0 DFADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340256388 427968746 /nfs/dbraw/zinc/96/87/46/427968746.db2.gz HQBXSORAQGAZAD-COXVUDFISA-N 1 3 304.434 2.997 20 0 DFADHO CCN(CC)CC(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000337581386 427969721 /nfs/dbraw/zinc/96/97/21/427969721.db2.gz BMXCTVMPUVNVCX-GOSISDBHSA-N 1 3 319.493 2.601 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000355981830 427970660 /nfs/dbraw/zinc/97/06/60/427970660.db2.gz AKPMUTAMWFWVEK-AWEZNQCLSA-N 1 3 321.465 2.732 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)[C@H]1Oc1ccccc1 ZINC000359716199 427985617 /nfs/dbraw/zinc/98/56/17/427985617.db2.gz MLKALXCMCJVTCK-IPMKNSEASA-N 1 3 318.461 2.687 20 0 DFADHO Nc1ncc(CN2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000340710991 427933461 /nfs/dbraw/zinc/93/34/61/427933461.db2.gz PHDLQTAVYJFQCE-UHFFFAOYSA-N 1 3 308.495 2.813 20 0 DFADHO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340180311 427948298 /nfs/dbraw/zinc/94/82/98/427948298.db2.gz HKNXPBOQXHJMFQ-GUDVDZBRSA-N 1 3 301.478 2.896 20 0 DFADHO CC(C)N(C)CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000359641228 427949232 /nfs/dbraw/zinc/94/92/32/427949232.db2.gz MVQXSNUGZQDNRG-MJGOQNOKSA-N 1 3 318.509 2.612 20 0 DFADHO C[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@@]1(C)CCCO1 ZINC000340189068 427949373 /nfs/dbraw/zinc/94/93/73/427949373.db2.gz UNUYMWHUBZKFNZ-CRAIPNDOSA-N 1 3 306.450 2.674 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000340188861 427949875 /nfs/dbraw/zinc/94/98/75/427949875.db2.gz QNRKMVFADNEHJW-BHIYHBOVSA-N 1 3 301.478 2.753 20 0 DFADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(C(=O)OC)cc1 ZINC000340188850 427950070 /nfs/dbraw/zinc/95/00/70/427950070.db2.gz QKLQEKKEZUCRJT-YOEHRIQHSA-N 1 3 304.434 2.856 20 0 DFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccncc1F ZINC000340207860 427953612 /nfs/dbraw/zinc/95/36/12/427953612.db2.gz YODADNWTHZCKSE-RBSFLKMASA-N 1 3 309.429 2.761 20 0 DFADHO CC[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)[NH+](CC)CC ZINC000345925562 427953599 /nfs/dbraw/zinc/95/35/99/427953599.db2.gz DCUSRHKZIQFCSO-IAGOWNOFSA-N 1 3 305.466 2.526 20 0 DFADHO CC(C)[C@@H]1C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000346127539 428027797 /nfs/dbraw/zinc/02/77/97/428027797.db2.gz IFXQXEAYEJORHU-TVFCKZIOSA-N 1 3 312.498 2.669 20 0 DFADHO CC(C)[NH+](CCN(C)C(=O)[C@H](C)N1CCCCCC1)C(C)C ZINC000356177640 428054660 /nfs/dbraw/zinc/05/46/60/428054660.db2.gz PEKPEKSIESOSHH-KRWDZBQOSA-N 1 3 311.514 2.828 20 0 DFADHO CN(C)CCOCC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000340367106 428000479 /nfs/dbraw/zinc/00/04/79/428000479.db2.gz STTHTIFTCXPFMX-QGZVFWFLSA-N 1 3 310.869 2.829 20 0 DFADHO CCC[C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)N(C)C ZINC000376803173 428002877 /nfs/dbraw/zinc/00/28/77/428002877.db2.gz DYFQPFWDTZETNL-SFHVURJKSA-N 1 3 323.525 2.878 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212300 428073314 /nfs/dbraw/zinc/07/33/14/428073314.db2.gz QCZGTFSNRFCPKG-CABCVRRESA-N 1 3 304.438 2.611 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212300 428073319 /nfs/dbraw/zinc/07/33/19/428073319.db2.gz QCZGTFSNRFCPKG-CABCVRRESA-N 1 3 304.438 2.611 20 0 DFADHO C[C@H](CC[NH2+]C1CCN(CC(F)F)CC1)N1CCCCC1 ZINC000346265509 428099878 /nfs/dbraw/zinc/09/98/78/428099878.db2.gz HGPCMHKHSNIWBJ-CQSZACIVSA-N 1 3 303.441 2.570 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000346288099 428107994 /nfs/dbraw/zinc/10/79/94/428107994.db2.gz PBTHXAWPCZHUQN-QZTJIDSGSA-N 1 3 317.477 2.614 20 0 DFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)C(C)C)cc2)CC1 ZINC000360028536 428124091 /nfs/dbraw/zinc/12/40/91/428124091.db2.gz FZVMZULVHDNPAX-QGZVFWFLSA-N 1 3 303.494 2.958 20 0 DFADHO CCN(CC[NH+]1CCCCCC1)C(=O)C1CCN(C2CC2)CC1 ZINC000346348878 428136545 /nfs/dbraw/zinc/13/65/45/428136545.db2.gz KKGAVPSPZMZWSB-UHFFFAOYSA-N 1 3 321.509 2.585 20 0 DFADHO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000370110580 428137619 /nfs/dbraw/zinc/13/76/19/428137619.db2.gz ISSBBPJGVUQIPJ-NVXWUHKLSA-N 1 3 317.477 2.514 20 0 DFADHO [NH3+]CCCN(Cc1c[nH]nc1-c1cccnc1)CC1CCCC1 ZINC000352540552 428142232 /nfs/dbraw/zinc/14/22/32/428142232.db2.gz MOXSHORAIUTGGM-UHFFFAOYSA-N 1 3 313.449 2.813 20 0 DFADHO C[N@H+](CC[C@@H]1CCCO1)[C@@H]1CCCN(CC[C@@H]2CCCO2)CC1 ZINC000346424559 428163955 /nfs/dbraw/zinc/16/39/55/428163955.db2.gz CTIATEXLQDMEDU-QYZOEREBSA-N 1 3 324.509 2.911 20 0 DFADHO C[N@@H+](CC[C@@H]1CCCO1)[C@@H]1CCCN(CC[C@@H]2CCCO2)CC1 ZINC000346424559 428163966 /nfs/dbraw/zinc/16/39/66/428163966.db2.gz CTIATEXLQDMEDU-QYZOEREBSA-N 1 3 324.509 2.911 20 0 DFADHO CN(CC[C@@H]1CCCO1)[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)CC1 ZINC000346424559 428163971 /nfs/dbraw/zinc/16/39/71/428163971.db2.gz CTIATEXLQDMEDU-QYZOEREBSA-N 1 3 324.509 2.911 20 0 DFADHO CN(CC[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)CC1 ZINC000346424559 428163976 /nfs/dbraw/zinc/16/39/76/428163976.db2.gz CTIATEXLQDMEDU-QYZOEREBSA-N 1 3 324.509 2.911 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000356528269 428218795 /nfs/dbraw/zinc/21/87/95/428218795.db2.gz BIZQMTNAVUXEAX-CVEARBPZSA-N 1 3 319.493 2.790 20 0 DFADHO Cc1cc2ncc([C@@H](C)NCC[C@H]3CCC[N@H+](C)C3)c(C)n2n1 ZINC000414169643 428222646 /nfs/dbraw/zinc/22/26/46/428222646.db2.gz BFZUEDBUUUUVJF-GDBMZVCRSA-N 1 3 315.465 2.729 20 0 DFADHO Cc1cc2ncc([C@@H](C)NCC[C@H]3CCC[N@@H+](C)C3)c(C)n2n1 ZINC000414169643 428222651 /nfs/dbraw/zinc/22/26/51/428222651.db2.gz BFZUEDBUUUUVJF-GDBMZVCRSA-N 1 3 315.465 2.729 20 0 DFADHO CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC[C@@H]1CCCC[N@@H+]1C ZINC000370495682 428223044 /nfs/dbraw/zinc/22/30/44/428223044.db2.gz BQTFCUJODHVGQL-OKZBNKHCSA-N 1 3 321.509 2.726 20 0 DFADHO CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC[C@@H]1CCCC[N@H+]1C ZINC000370495682 428223048 /nfs/dbraw/zinc/22/30/48/428223048.db2.gz BQTFCUJODHVGQL-OKZBNKHCSA-N 1 3 321.509 2.726 20 0 DFADHO COc1ccc(C[C@H](C)NC2CC[NH+](CC(C)C)CC2)cn1 ZINC000414065445 428195600 /nfs/dbraw/zinc/19/56/00/428195600.db2.gz OQCULSGVYJCJIA-HNNXBMFYSA-N 1 3 305.466 2.731 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414351902 428266515 /nfs/dbraw/zinc/26/65/15/428266515.db2.gz SLMBEHNXBONBLM-DEICHXMPSA-N 1 3 305.441 2.723 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414351902 428266518 /nfs/dbraw/zinc/26/65/18/428266518.db2.gz SLMBEHNXBONBLM-DEICHXMPSA-N 1 3 305.441 2.723 20 0 DFADHO CCN1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000414347447 428268397 /nfs/dbraw/zinc/26/83/97/428268397.db2.gz QZUUIDOFWBHLMA-LWYYNNOASA-N 1 3 313.489 2.866 20 0 DFADHO CCN1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414347447 428268402 /nfs/dbraw/zinc/26/84/02/428268402.db2.gz QZUUIDOFWBHLMA-LWYYNNOASA-N 1 3 313.489 2.866 20 0 DFADHO CCN1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414347447 428268407 /nfs/dbraw/zinc/26/84/07/428268407.db2.gz QZUUIDOFWBHLMA-LWYYNNOASA-N 1 3 313.489 2.866 20 0 DFADHO CC[N@@H+]1CCc2c(cccc2NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC000370686082 428272725 /nfs/dbraw/zinc/27/27/25/428272725.db2.gz NUFAWOHYHSSJJB-KRWDZBQOSA-N 1 3 303.450 2.589 20 0 DFADHO CC[N@H+]1CCc2c(cccc2NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC000370686082 428272730 /nfs/dbraw/zinc/27/27/30/428272730.db2.gz NUFAWOHYHSSJJB-KRWDZBQOSA-N 1 3 303.450 2.589 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cccnc1 ZINC000356692043 428276150 /nfs/dbraw/zinc/27/61/50/428276150.db2.gz HCCKAXAXRJTBNP-MRXNPFEDSA-N 1 3 313.445 2.915 20 0 DFADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(OCc2ccncc2)cc1 ZINC000346693418 428277127 /nfs/dbraw/zinc/27/71/27/428277127.db2.gz NAPZSTKZYMMDDC-CRAIPNDOSA-N 1 3 311.429 2.830 20 0 DFADHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ccc1F ZINC000370708305 428281513 /nfs/dbraw/zinc/28/15/13/428281513.db2.gz PMHMXNCDONEFRL-APWZRJJASA-N 1 3 319.468 2.592 20 0 DFADHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ccc1F ZINC000370708305 428281518 /nfs/dbraw/zinc/28/15/18/428281518.db2.gz PMHMXNCDONEFRL-APWZRJJASA-N 1 3 319.468 2.592 20 0 DFADHO CSc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)s1 ZINC000352860315 428285500 /nfs/dbraw/zinc/28/55/00/428285500.db2.gz ANWDAXCYXUVZHD-UHFFFAOYSA-N 1 3 313.536 2.586 20 0 DFADHO CCN1CCc2c(cccc2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000378002342 428285646 /nfs/dbraw/zinc/28/56/46/428285646.db2.gz QNGTVHCOFJVLCT-GJZGRUSLSA-N 1 3 315.461 2.733 20 0 DFADHO CCN1CCc2c(cccc2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000378002342 428285649 /nfs/dbraw/zinc/28/56/49/428285649.db2.gz QNGTVHCOFJVLCT-GJZGRUSLSA-N 1 3 315.461 2.733 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000360417967 428290272 /nfs/dbraw/zinc/29/02/72/428290272.db2.gz WCGFCDCZVMAXAB-KGLIPLIRSA-N 1 3 315.461 2.909 20 0 DFADHO CCN(C(=O)[C@@H](C)N1CCC(C[NH+](C)C)CC1)C1CCCCC1 ZINC000356604054 428249960 /nfs/dbraw/zinc/24/99/60/428249960.db2.gz LHPKQCBWIGFSDG-MRXNPFEDSA-N 1 3 323.525 2.830 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC[C@H](CO)c2ccc(F)cc2)CC1 ZINC000414285355 428250441 /nfs/dbraw/zinc/25/04/41/428250441.db2.gz HWPXPKDUSCQGTN-OAHLLOKOSA-N 1 3 308.441 2.754 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@H](CO)c2ccc(F)cc2)CC1 ZINC000414285355 428250445 /nfs/dbraw/zinc/25/04/45/428250445.db2.gz HWPXPKDUSCQGTN-OAHLLOKOSA-N 1 3 308.441 2.754 20 0 DFADHO COc1cccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1F ZINC000377886281 428256033 /nfs/dbraw/zinc/25/60/33/428256033.db2.gz ZZCDKSMFDPVHPZ-HNNXBMFYSA-N 1 3 306.425 2.998 20 0 DFADHO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)s1 ZINC000370625426 428258159 /nfs/dbraw/zinc/25/81/59/428258159.db2.gz XSNHHIRFSJMKDK-GJZGRUSLSA-N 1 3 307.507 2.876 20 0 DFADHO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370637200 428259251 /nfs/dbraw/zinc/25/92/51/428259251.db2.gz UDTOJMNIGLIIJD-WMZOPIPTSA-N 1 3 301.478 2.814 20 0 DFADHO CSc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)s1 ZINC000352812602 428259284 /nfs/dbraw/zinc/25/92/84/428259284.db2.gz ZWWRMNFCIZIBBO-UHFFFAOYSA-N 1 3 314.520 2.795 20 0 DFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000370638791 428259718 /nfs/dbraw/zinc/25/97/18/428259718.db2.gz ZHDXKWMPDVGZJV-IRXDYDNUSA-N 1 3 301.478 2.814 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000356806583 428315825 /nfs/dbraw/zinc/31/58/25/428315825.db2.gz NFFHXNDXDTYBOH-INIZCTEOSA-N 1 3 317.477 2.741 20 0 DFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000356806583 428315829 /nfs/dbraw/zinc/31/58/29/428315829.db2.gz NFFHXNDXDTYBOH-INIZCTEOSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000346804830 428324969 /nfs/dbraw/zinc/32/49/69/428324969.db2.gz YFFWIWOAPVDYML-BXWFABGCSA-N 1 3 319.493 2.760 20 0 DFADHO Cn1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2cccs2)n1 ZINC000346824056 428331987 /nfs/dbraw/zinc/33/19/87/428331987.db2.gz KWIOQPTWQGRQHE-AEGPPILISA-N 1 3 316.474 2.708 20 0 DFADHO c1ccc(C[N@H+](CC2CCOCC2)C[C@@H]2CCCNC2)cc1 ZINC000346838897 428340100 /nfs/dbraw/zinc/34/01/00/428340100.db2.gz RXASOEPLMSJNGN-LJQANCHMSA-N 1 3 302.462 2.915 20 0 DFADHO c1ccc(C[N@@H+](CC2CCOCC2)C[C@@H]2CCCNC2)cc1 ZINC000346838897 428340105 /nfs/dbraw/zinc/34/01/05/428340105.db2.gz RXASOEPLMSJNGN-LJQANCHMSA-N 1 3 302.462 2.915 20 0 DFADHO CCc1cccnc1[C@@H](C)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000356887505 428350649 /nfs/dbraw/zinc/35/06/49/428350649.db2.gz YOWYGPGAWFLSJL-WBVHZDCISA-N 1 3 305.466 2.532 20 0 DFADHO CCc1cccnc1[C@@H](C)NCCCC[N@H+]1CCC[C@H]1CO ZINC000356887505 428350654 /nfs/dbraw/zinc/35/06/54/428350654.db2.gz YOWYGPGAWFLSJL-WBVHZDCISA-N 1 3 305.466 2.532 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCc4nccn4C3)CC2)C1 ZINC000371482578 428392331 /nfs/dbraw/zinc/39/23/31/428392331.db2.gz YZVTUKNCEDUYRH-NXHRZFHOSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCc4nccn4C3)CC2)C1 ZINC000371482578 428392336 /nfs/dbraw/zinc/39/23/36/428392336.db2.gz YZVTUKNCEDUYRH-NXHRZFHOSA-N 1 3 316.493 2.831 20 0 DFADHO O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCCN1C1CCCC1 ZINC000357112583 428392947 /nfs/dbraw/zinc/39/29/47/428392947.db2.gz CSYYDIPUKZRQAC-GOSISDBHSA-N 1 3 321.509 2.776 20 0 DFADHO C[C@@H]1C[C@@H](CN2CCNC[C@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414746367 428393600 /nfs/dbraw/zinc/39/36/00/428393600.db2.gz ZDSVMGOJXDWDQZ-KEYYUXOJSA-N 1 3 307.869 2.674 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000371517491 428394230 /nfs/dbraw/zinc/39/42/30/428394230.db2.gz FDRGTELHYOWOPG-CJGGRQNCSA-N 1 3 315.505 2.998 20 0 DFADHO COCCCN(CCc1ccc(OC)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000346989563 428396725 /nfs/dbraw/zinc/39/67/25/428396725.db2.gz RVJICUACJBDCRL-GOSISDBHSA-N 1 3 320.477 2.576 20 0 DFADHO COCCC[N@H+](CCc1ccc(OC)cc1)C[C@@H]1CCCNC1 ZINC000346989563 428396730 /nfs/dbraw/zinc/39/67/30/428396730.db2.gz RVJICUACJBDCRL-GOSISDBHSA-N 1 3 320.477 2.576 20 0 DFADHO COCCC[N@@H+](CCc1ccc(OC)cc1)C[C@@H]1CCCNC1 ZINC000346989563 428396734 /nfs/dbraw/zinc/39/67/34/428396734.db2.gz RVJICUACJBDCRL-GOSISDBHSA-N 1 3 320.477 2.576 20 0 DFADHO C[C@H]1CCc2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)sc2C1 ZINC000414763385 428398616 /nfs/dbraw/zinc/39/86/16/428398616.db2.gz BTMGOCYELCFFGU-MELADBBJSA-N 1 3 305.491 2.699 20 0 DFADHO Fc1ccccc1-c1n[nH]cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772725 428399614 /nfs/dbraw/zinc/39/96/14/428399614.db2.gz VJBRBNRYZNBLEQ-OKILXGFUSA-N 1 3 314.408 2.647 20 0 DFADHO c1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n(-c2ccccc2)n1 ZINC000414783145 428406734 /nfs/dbraw/zinc/40/67/34/428406734.db2.gz PKCWOJIVEWNVJM-SJORKVTESA-N 1 3 310.445 2.694 20 0 DFADHO CCSc1cccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414782020 428407953 /nfs/dbraw/zinc/40/79/53/428407953.db2.gz NXACQYVFQAHLFC-INIZCTEOSA-N 1 3 320.502 2.986 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(OCc2ccncc2)cc1 ZINC000414788670 428408857 /nfs/dbraw/zinc/40/88/57/428408857.db2.gz DSOUVMDYBUXRHZ-PKOBYXMFSA-N 1 3 311.429 2.878 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000414794160 428412027 /nfs/dbraw/zinc/41/20/27/428412027.db2.gz FHGGVECMNXOYOY-TZMCWYRMSA-N 1 3 307.404 2.510 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000347031508 428412696 /nfs/dbraw/zinc/41/26/96/428412696.db2.gz CCYXPOSHNMYLGL-CABCVRRESA-N 1 3 311.514 2.780 20 0 DFADHO C[C@@H]1C[C@H](CN2CCN(Cc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414672330 428369259 /nfs/dbraw/zinc/36/92/59/428369259.db2.gz HFJDCJUUMUMWET-HZPDHXFCSA-N 1 3 321.896 2.846 20 0 DFADHO CCOc1ccccc1N1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414681814 428372741 /nfs/dbraw/zinc/37/27/41/428372741.db2.gz WRSKUIHVSQLGMC-IAGOWNOFSA-N 1 3 317.477 2.595 20 0 DFADHO C[C@@H]1C[C@@H](CN2CCN(Cc3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC000414681096 428373736 /nfs/dbraw/zinc/37/37/36/428373736.db2.gz OKIBUNNEQOQFAJ-WBVHZDCISA-N 1 3 321.896 2.846 20 0 DFADHO O=C(NC1CCCCC1)[C@H]1CCC[N@H+](CCCN2CCCC2)C1 ZINC000371179277 428374687 /nfs/dbraw/zinc/37/46/87/428374687.db2.gz XBRMUMVQVKKTJD-KRWDZBQOSA-N 1 3 321.509 2.633 20 0 DFADHO O=C(NC1CCCCC1)[C@H]1CCC[N@@H+](CCCN2CCCC2)C1 ZINC000371179277 428374692 /nfs/dbraw/zinc/37/46/92/428374692.db2.gz XBRMUMVQVKKTJD-KRWDZBQOSA-N 1 3 321.509 2.633 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1CN ZINC000414794148 428413537 /nfs/dbraw/zinc/41/35/37/428413537.db2.gz FHDSCWPHMDAQMJ-JLJPHGGASA-N 1 3 303.450 2.683 20 0 DFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2CC2CCCCC2)C1 ZINC000414687772 428375233 /nfs/dbraw/zinc/37/52/33/428375233.db2.gz IBGRHJAZYPZDFO-MSOLQXFVSA-N 1 3 321.509 2.619 20 0 DFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2CC2CCCCC2)C1 ZINC000414687772 428375236 /nfs/dbraw/zinc/37/52/36/428375236.db2.gz IBGRHJAZYPZDFO-MSOLQXFVSA-N 1 3 321.509 2.619 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000414794148 428413542 /nfs/dbraw/zinc/41/35/42/428413542.db2.gz FHDSCWPHMDAQMJ-JLJPHGGASA-N 1 3 303.450 2.683 20 0 DFADHO CCCCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)CCC ZINC000414700826 428378913 /nfs/dbraw/zinc/37/89/13/428378913.db2.gz ZVPXLEXMQLAASE-IRXDYDNUSA-N 1 3 311.514 2.865 20 0 DFADHO CCCCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)CCC ZINC000414700826 428378915 /nfs/dbraw/zinc/37/89/15/428378915.db2.gz ZVPXLEXMQLAASE-IRXDYDNUSA-N 1 3 311.514 2.865 20 0 DFADHO CCNC(=O)C(C)(C)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000346940753 428379231 /nfs/dbraw/zinc/37/92/31/428379231.db2.gz OFOGULBWWWKESW-UHFFFAOYSA-N 1 3 309.498 2.535 20 0 DFADHO CCNC(=O)C(C)(C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000346940753 428379235 /nfs/dbraw/zinc/37/92/35/428379235.db2.gz OFOGULBWWWKESW-UHFFFAOYSA-N 1 3 309.498 2.535 20 0 DFADHO CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000371280289 428380641 /nfs/dbraw/zinc/38/06/41/428380641.db2.gz OQRMRMYLZWPHGL-FGTMMUONSA-N 1 3 315.461 2.552 20 0 DFADHO C[C@@H]1C[C@@H](CN2CCO[C@@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC000414702399 428380699 /nfs/dbraw/zinc/38/06/99/428380699.db2.gz BJIVGDKPAZXEDY-NEWSRXKRSA-N 1 3 302.462 2.708 20 0 DFADHO CCN(C[C@H]1CC[N@H+](C[C@H](N)CC(C)C)C1)CC(F)(F)F ZINC000414702571 428381151 /nfs/dbraw/zinc/38/11/51/428381151.db2.gz IQTLRDVBZQYEJU-ZIAGYGMSSA-N 1 3 309.420 2.566 20 0 DFADHO CCN(C[C@H]1CC[N@@H+](C[C@H](N)CC(C)C)C1)CC(F)(F)F ZINC000414702571 428381155 /nfs/dbraw/zinc/38/11/55/428381155.db2.gz IQTLRDVBZQYEJU-ZIAGYGMSSA-N 1 3 309.420 2.566 20 0 DFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC2CCN(C)CC2)C1 ZINC000346957809 428384691 /nfs/dbraw/zinc/38/46/91/428384691.db2.gz DQTLDROAAPQHHG-MRXNPFEDSA-N 1 3 323.525 2.735 20 0 DFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2CCN(C)CC2)C1 ZINC000346957809 428384697 /nfs/dbraw/zinc/38/46/97/428384697.db2.gz DQTLDROAAPQHHG-MRXNPFEDSA-N 1 3 323.525 2.735 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])CC(C)C)c(C)c1 ZINC000414851184 428434111 /nfs/dbraw/zinc/43/41/11/428434111.db2.gz OVGASWFVOZSACA-JKSUJKDBSA-N 1 3 305.466 2.984 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414858647 428435283 /nfs/dbraw/zinc/43/52/83/428435283.db2.gz SEXRJYKQYJTUPG-XHSDSOJGSA-N 1 3 303.450 2.690 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414862417 428437951 /nfs/dbraw/zinc/43/79/51/428437951.db2.gz XOUPBYYPYSWFAA-ZMSDIMECSA-N 1 3 317.477 2.944 20 0 DFADHO C[C@@H](C[NH3+])CNCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414869651 428438804 /nfs/dbraw/zinc/43/88/04/428438804.db2.gz BBMNZLPKNDAKNK-JTQLQIEISA-N 1 3 312.339 2.780 20 0 DFADHO C[C@H](C[NH3+])CNCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414869652 428438891 /nfs/dbraw/zinc/43/88/91/428438891.db2.gz BBMNZLPKNDAKNK-SNVBAGLBSA-N 1 3 312.339 2.780 20 0 DFADHO COCc1ccccc1/C=C(/C)C[NH+]1C[C@@H]2CN(C)C[C@H]2C1 ZINC000353229184 428440649 /nfs/dbraw/zinc/44/06/49/428440649.db2.gz DIUSZRGWKVOYRD-LHMGCLNVSA-N 1 3 300.446 2.730 20 0 DFADHO CCc1cc(OC)ccc1CNCCC[NH2+]Cc1cccnc1 ZINC000414875158 428442189 /nfs/dbraw/zinc/44/21/89/428442189.db2.gz IRYWZYKOYBQKOM-UHFFFAOYSA-N 1 3 313.445 2.922 20 0 DFADHO C[C@H](C[NH3+])CN[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414885869 428443062 /nfs/dbraw/zinc/44/30/62/428443062.db2.gz XPOOEIXDCPWUEN-GHMZBOCLSA-N 1 3 317.355 2.607 20 0 DFADHO C[C@H](CN)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414885869 428443069 /nfs/dbraw/zinc/44/30/69/428443069.db2.gz XPOOEIXDCPWUEN-GHMZBOCLSA-N 1 3 317.355 2.607 20 0 DFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000357228511 428446276 /nfs/dbraw/zinc/44/62/76/428446276.db2.gz XZDHZEWKLVEKSV-RHSMWYFYSA-N 1 3 323.506 2.589 20 0 DFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000357228511 428446284 /nfs/dbraw/zinc/44/62/84/428446284.db2.gz XZDHZEWKLVEKSV-RHSMWYFYSA-N 1 3 323.506 2.589 20 0 DFADHO Cc1ccc(CNC[C@]2(C)CCC[NH2+]C2)c(-c2cnn(C)c2)c1 ZINC000414901334 428449038 /nfs/dbraw/zinc/44/90/38/428449038.db2.gz FVVFGXRILUHXBN-LJQANCHMSA-N 1 3 312.461 2.875 20 0 DFADHO Cc1ccc(C[NH2+]C[C@]2(C)CCCNC2)c(-c2cnn(C)c2)c1 ZINC000414901334 428449041 /nfs/dbraw/zinc/44/90/41/428449041.db2.gz FVVFGXRILUHXBN-LJQANCHMSA-N 1 3 312.461 2.875 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000360812227 428450313 /nfs/dbraw/zinc/45/03/13/428450313.db2.gz RERLIUKTXBFCGO-PILAGYSTSA-N 1 3 305.441 2.643 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000360812227 428450318 /nfs/dbraw/zinc/45/03/18/428450318.db2.gz RERLIUKTXBFCGO-PILAGYSTSA-N 1 3 305.441 2.643 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000414904034 428453324 /nfs/dbraw/zinc/45/33/24/428453324.db2.gz JLQLXZHINLSDED-CRAIPNDOSA-N 1 3 303.450 2.691 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000414904034 428453327 /nfs/dbraw/zinc/45/33/27/428453327.db2.gz JLQLXZHINLSDED-CRAIPNDOSA-N 1 3 303.450 2.691 20 0 DFADHO CC[C@H](Cn1cncn1)[NH2+][C@H]1CCCC[C@H]1CN(CC)CC ZINC000353258820 428455359 /nfs/dbraw/zinc/45/53/59/428455359.db2.gz RSMGRLUSCROKFJ-BBWFWOEESA-N 1 3 307.486 2.547 20 0 DFADHO CC[C@H](Cn1cncn1)N[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000353258820 428455362 /nfs/dbraw/zinc/45/53/62/428455362.db2.gz RSMGRLUSCROKFJ-BBWFWOEESA-N 1 3 307.486 2.547 20 0 DFADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414927617 428458601 /nfs/dbraw/zinc/45/86/01/428458601.db2.gz MFUOPZBNBXPOLU-KSSFIOAISA-N 1 3 321.896 2.892 20 0 DFADHO COc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)ccc1OC(F)F ZINC000414936260 428463376 /nfs/dbraw/zinc/46/33/76/428463376.db2.gz ZDXQGRBDNLEDND-RYUDHWBXSA-N 1 3 300.349 2.656 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414936882 428464116 /nfs/dbraw/zinc/46/41/16/428464116.db2.gz HCCMGRFALIIINR-OFQRWUPVSA-N 1 3 303.450 2.554 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414936882 428464119 /nfs/dbraw/zinc/46/41/19/428464119.db2.gz HCCMGRFALIIINR-OFQRWUPVSA-N 1 3 303.450 2.554 20 0 DFADHO CC1([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CCNCC1 ZINC000414947180 428465814 /nfs/dbraw/zinc/46/58/14/428465814.db2.gz VLFHOYQTGWDWTB-UHFFFAOYSA-N 1 3 302.340 2.859 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414943676 428466896 /nfs/dbraw/zinc/46/68/96/428466896.db2.gz FRSSGRMOPALYAK-YCPHGPKFSA-N 1 3 303.450 2.696 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414943676 428466900 /nfs/dbraw/zinc/46/69/00/428466900.db2.gz FRSSGRMOPALYAK-YCPHGPKFSA-N 1 3 303.450 2.696 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C[C@@H]2C)c(C)c1 ZINC000414948156 428467841 /nfs/dbraw/zinc/46/78/41/428467841.db2.gz XUCWMYLCZWUFPS-YQQAZPJKSA-N 1 3 303.450 2.608 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)c(C)c1 ZINC000414948156 428467847 /nfs/dbraw/zinc/46/78/47/428467847.db2.gz XUCWMYLCZWUFPS-YQQAZPJKSA-N 1 3 303.450 2.608 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C[C@H]2C)c(C)c1 ZINC000414948155 428468136 /nfs/dbraw/zinc/46/81/36/428468136.db2.gz XUCWMYLCZWUFPS-VYDXJSESSA-N 1 3 303.450 2.608 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCNC[C@H]2C)c(C)c1 ZINC000414948155 428468141 /nfs/dbraw/zinc/46/81/41/428468141.db2.gz XUCWMYLCZWUFPS-VYDXJSESSA-N 1 3 303.450 2.608 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CC2CCN(C)CC2)C1 ZINC000347035414 428416893 /nfs/dbraw/zinc/41/68/93/428416893.db2.gz UQLMSCUSZBQGCE-IYBDPMFKSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CC2CCN(C)CC2)C1 ZINC000347035414 428416902 /nfs/dbraw/zinc/41/69/02/428416902.db2.gz UQLMSCUSZBQGCE-IYBDPMFKSA-N 1 3 323.525 2.591 20 0 DFADHO CC(C)Oc1ccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414798788 428417228 /nfs/dbraw/zinc/41/72/28/428417228.db2.gz ZHBGGRRTIJZUBN-QGZVFWFLSA-N 1 3 318.461 2.661 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1F)N[C@@H](C[NH3+])C1CC1 ZINC000414799848 428417414 /nfs/dbraw/zinc/41/74/14/428417414.db2.gz DZVKKRICHIKMKR-OTYXRUKQSA-N 1 3 315.230 2.846 20 0 DFADHO COc1cc(CN(CCC[NH3+])CC2CCCC2)cc(OC)c1O ZINC000414798714 428417440 /nfs/dbraw/zinc/41/74/40/428417440.db2.gz XQVLGZSRJZITBD-UHFFFAOYSA-N 1 3 322.449 2.750 20 0 DFADHO C[C@@H](Cc1ccc(Br)c(F)c1)NCC(C)(C)[NH3+] ZINC000414810939 428417780 /nfs/dbraw/zinc/41/77/80/428417780.db2.gz YLVYSQHKAMXDJV-VIFPVBQESA-N 1 3 303.219 2.846 20 0 DFADHO Cc1csc(N2CCC([NH2+][C@H]3CCCC[C@H]3CN)CC2)n1 ZINC000414811901 428418600 /nfs/dbraw/zinc/41/86/00/428418600.db2.gz WWRYVRNKVJPXRL-ZFWWWQNUSA-N 1 3 308.495 2.527 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414810985 428419479 /nfs/dbraw/zinc/41/94/79/428419479.db2.gz VULNFTWGWBNWPI-UXLLHSPISA-N 1 3 303.450 2.819 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414810985 428419484 /nfs/dbraw/zinc/41/94/84/428419484.db2.gz VULNFTWGWBNWPI-UXLLHSPISA-N 1 3 303.450 2.819 20 0 DFADHO C[C@H](N)CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414825363 428424723 /nfs/dbraw/zinc/42/47/23/428424723.db2.gz SIKUZCWZZFMJSL-LBPRGKRZSA-N 1 3 313.848 2.770 20 0 DFADHO C[C@H]([NH3+])CCNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414825363 428424727 /nfs/dbraw/zinc/42/47/27/428424727.db2.gz SIKUZCWZZFMJSL-LBPRGKRZSA-N 1 3 313.848 2.770 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414838080 428429265 /nfs/dbraw/zinc/42/92/65/428429265.db2.gz KTFFURVBZYLWQE-YPMHNXCESA-N 1 3 311.857 2.811 20 0 DFADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCCC2)c1 ZINC000414841222 428430398 /nfs/dbraw/zinc/43/03/98/428430398.db2.gz LDZDFLMLHQHYLP-CQSZACIVSA-N 1 3 319.449 2.664 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000414853009 428431824 /nfs/dbraw/zinc/43/18/24/428431824.db2.gz KKQGFXNBNAMRBZ-ULQDDVLXSA-N 1 3 317.477 2.998 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@@H](N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000414847704 428433286 /nfs/dbraw/zinc/43/32/86/428433286.db2.gz FXZAFIFUGAEEOB-OGWHTMIXSA-N 1 3 301.478 2.800 20 0 DFADHO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC1=CCN(C)CC1 ZINC000392185011 428481922 /nfs/dbraw/zinc/48/19/22/428481922.db2.gz CNNXKAYETMKWTR-CQSZACIVSA-N 1 3 311.470 2.531 20 0 DFADHO Cc1ccnc(NC[C@@H]2CCN(CC[NH+]3CCCCC3)C2)c1 ZINC000372662714 428482568 /nfs/dbraw/zinc/48/25/68/428482568.db2.gz CQXCASOWOMERFL-KRWDZBQOSA-N 1 3 302.466 2.610 20 0 DFADHO Cc1ccnc(NC[C@@H]2CC[N@H+](CCN3CCCCC3)C2)c1 ZINC000372662714 428482574 /nfs/dbraw/zinc/48/25/74/428482574.db2.gz CQXCASOWOMERFL-KRWDZBQOSA-N 1 3 302.466 2.610 20 0 DFADHO Cc1ccnc(NC[C@@H]2CC[N@@H+](CCN3CCCCC3)C2)c1 ZINC000372662714 428482579 /nfs/dbraw/zinc/48/25/79/428482579.db2.gz CQXCASOWOMERFL-KRWDZBQOSA-N 1 3 302.466 2.610 20 0 DFADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCCOCC2)cc1 ZINC000414993131 428483037 /nfs/dbraw/zinc/48/30/37/428483037.db2.gz CDXNNYDGAKSFKV-NXHRZFHOSA-N 1 3 306.425 2.678 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414999949 428486057 /nfs/dbraw/zinc/48/60/57/428486057.db2.gz JQJIKOBCKZHVHY-FZMZJTMJSA-N 1 3 310.825 2.734 20 0 DFADHO C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CNCCCO1 ZINC000415030430 428492786 /nfs/dbraw/zinc/49/27/86/428492786.db2.gz CKFNMTPUIXVOGC-NEPJUHHUSA-N 1 3 302.871 2.691 20 0 DFADHO [NH3+]C[C@H]1CC[C@H](CNCc2nccn2Cc2ccccc2)CC1 ZINC000415028428 428492877 /nfs/dbraw/zinc/49/28/77/428492877.db2.gz YLBMYMTZTQNFJH-QAQDUYKDSA-N 1 3 312.461 2.786 20 0 DFADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000395368813 428495022 /nfs/dbraw/zinc/49/50/22/428495022.db2.gz OBZAYSHSELGOCX-HKUYNNGSSA-N 1 3 315.505 2.971 20 0 DFADHO c1cnn(-c2cccc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2)c1 ZINC000415037688 428495651 /nfs/dbraw/zinc/49/56/51/428495651.db2.gz HDBHADHTINBRJS-HKUYNNGSSA-N 1 3 310.445 2.836 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415044259 428497495 /nfs/dbraw/zinc/49/74/95/428497495.db2.gz BOHNAUSXCKSNHZ-LRDDRELGSA-N 1 3 307.413 2.650 20 0 DFADHO CCc1cccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000372740267 428498912 /nfs/dbraw/zinc/49/89/12/428498912.db2.gz MFMDKIINDAHUKY-HXUWFJFHSA-N 1 3 315.505 2.849 20 0 DFADHO CCc1cccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000372740267 428498917 /nfs/dbraw/zinc/49/89/17/428498917.db2.gz MFMDKIINDAHUKY-HXUWFJFHSA-N 1 3 315.505 2.849 20 0 DFADHO C[C@@H]1CN(Cc2ccc(-c3cnn(C)c3)s2)C[C@@]1(C)C[NH3+] ZINC000415058034 428503961 /nfs/dbraw/zinc/50/39/61/428503961.db2.gz QZIRMROLWMVZJA-MLGOLLRUSA-N 1 3 304.463 2.565 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@@]1(C)CN ZINC000415058034 428503968 /nfs/dbraw/zinc/50/39/68/428503968.db2.gz QZIRMROLWMVZJA-MLGOLLRUSA-N 1 3 304.463 2.565 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@@]1(C)CN ZINC000415058034 428503975 /nfs/dbraw/zinc/50/39/75/428503975.db2.gz QZIRMROLWMVZJA-MLGOLLRUSA-N 1 3 304.463 2.565 20 0 DFADHO Fc1ccc(CCN2CCC([NH2+][C@@H]3CCCCNC3)CC2)cc1 ZINC000415069888 428510001 /nfs/dbraw/zinc/51/00/01/428510001.db2.gz PKORZHJJUAJMFS-LJQANCHMSA-N 1 3 319.468 2.564 20 0 DFADHO Fc1ccc(CCN2CCC(N[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000415069888 428510008 /nfs/dbraw/zinc/51/00/08/428510008.db2.gz PKORZHJJUAJMFS-LJQANCHMSA-N 1 3 319.468 2.564 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@H](C[NH3+])C1CCCC1 ZINC000415071248 428510598 /nfs/dbraw/zinc/51/05/98/428510598.db2.gz WHMRLTMEROEIEZ-WMLDXEAASA-N 1 3 303.450 2.819 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H]1C ZINC000397493310 428511004 /nfs/dbraw/zinc/51/10/04/428511004.db2.gz NBLYVDNRUPRSQS-JFIYKMOQSA-N 1 3 302.462 2.648 20 0 DFADHO CC(C)([NH3+])CN[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000415087504 428516428 /nfs/dbraw/zinc/51/64/28/428516428.db2.gz UUIGSJQMOBKMQU-AWEZNQCLSA-N 1 3 313.848 2.770 20 0 DFADHO C[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000343085280 428516848 /nfs/dbraw/zinc/51/68/48/428516848.db2.gz NLLCAPGEWWZCIS-ZACQAIPSSA-N 1 3 321.509 2.725 20 0 DFADHO C[C@H](N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000398026305 428518815 /nfs/dbraw/zinc/51/88/15/428518815.db2.gz MBFOMZVZAUHZIA-RNIPGJKVSA-N 1 3 301.478 2.770 20 0 DFADHO CN1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@H]2CCC[C@@H]21 ZINC000353392375 428519281 /nfs/dbraw/zinc/51/92/81/428519281.db2.gz GIXFAAMXRQXSHF-KBMXLJTQSA-N 1 3 310.388 2.806 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOc2ccc(F)cc2F)[C@H]2CCC[C@@H]21 ZINC000353392375 428519284 /nfs/dbraw/zinc/51/92/84/428519284.db2.gz GIXFAAMXRQXSHF-KBMXLJTQSA-N 1 3 310.388 2.806 20 0 DFADHO C[N@H+]1CC[C@H](NCCOc2ccc(F)cc2F)[C@H]2CCC[C@@H]21 ZINC000353392375 428519287 /nfs/dbraw/zinc/51/92/87/428519287.db2.gz GIXFAAMXRQXSHF-KBMXLJTQSA-N 1 3 310.388 2.806 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000415094672 428519440 /nfs/dbraw/zinc/51/94/40/428519440.db2.gz FJNVYOQYFFRUDL-YTQUADARSA-N 1 3 304.478 2.799 20 0 DFADHO Cn1cc(CN2CCC(C[NH+](C)C)CC2)c(-c2cccs2)n1 ZINC000373224738 428523267 /nfs/dbraw/zinc/52/32/67/428523267.db2.gz YJTOBKJEBFOQMI-UHFFFAOYSA-N 1 3 318.490 2.922 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H]2CCC[C@@H]21 ZINC000353402466 428524071 /nfs/dbraw/zinc/52/40/71/428524071.db2.gz JACXNCVHVAXUKE-UFYCRDLUSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)[C@@H]2CCC[C@@H]21 ZINC000353402466 428524076 /nfs/dbraw/zinc/52/40/76/428524076.db2.gz JACXNCVHVAXUKE-UFYCRDLUSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)[C@@H]2CCC[C@@H]21 ZINC000353402466 428524084 /nfs/dbraw/zinc/52/40/84/428524084.db2.gz JACXNCVHVAXUKE-UFYCRDLUSA-N 1 3 324.472 2.894 20 0 DFADHO CCOc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415118698 428527591 /nfs/dbraw/zinc/52/75/91/428527591.db2.gz DVXGFLBJGQIEFV-MOPGFXCFSA-N 1 3 318.461 2.804 20 0 DFADHO COc1ccc2nc(CNCCC[C@@H]3CCC[NH2+]3)sc2c1 ZINC000414968045 428478937 /nfs/dbraw/zinc/47/89/37/428478937.db2.gz RDEPSJACWPLPNY-GFCCVEGCSA-N 1 3 305.447 2.927 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000407300408 428581027 /nfs/dbraw/zinc/58/10/27/428581027.db2.gz BTGKNTZZKINBBW-QZTJIDSGSA-N 1 3 315.461 2.998 20 0 DFADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000373459579 428581143 /nfs/dbraw/zinc/58/11/43/428581143.db2.gz MORRMPVTZXFSCF-YQVWRLOYSA-N 1 3 305.510 2.737 20 0 DFADHO CCCC[C@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000353433793 428532764 /nfs/dbraw/zinc/53/27/64/428532764.db2.gz ABTQZFYYYAKANL-SFHVURJKSA-N 1 3 317.477 2.532 20 0 DFADHO C[C@H](NC[C@]1(C)CCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400811613 428547692 /nfs/dbraw/zinc/54/76/92/428547692.db2.gz YNKPJQDKDIJFAV-WDSOQIARSA-N 1 3 301.478 2.771 20 0 DFADHO Brc1ccccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400979151 428551450 /nfs/dbraw/zinc/55/14/50/428551450.db2.gz HTDCQMVOJHAYEY-KWCYVHTRSA-N 1 3 309.251 2.927 20 0 DFADHO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C[C@H]1CC[NH2+]C1 ZINC000404334440 428565474 /nfs/dbraw/zinc/56/54/74/428565474.db2.gz BNYYXCOVGQISFU-ZMMAXQRCSA-N 1 3 301.478 2.579 20 0 DFADHO COC1(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)CCCC1 ZINC000361580062 428579384 /nfs/dbraw/zinc/57/93/84/428579384.db2.gz VSKIJOFLUNPMFI-IRXDYDNUSA-N 1 3 324.509 2.767 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000347529709 428598447 /nfs/dbraw/zinc/59/84/47/428598447.db2.gz QXGANHZLBSLDRX-AWEZNQCLSA-N 1 3 305.466 2.531 20 0 DFADHO CC[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)N(CC)CC ZINC000344038893 428615276 /nfs/dbraw/zinc/61/52/76/428615276.db2.gz IKEZXJUXAJOBEO-LZLYRXPVSA-N 1 3 311.514 2.734 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000415907124 428622917 /nfs/dbraw/zinc/62/29/17/428622917.db2.gz MODOEPYQSURERY-RHSMWYFYSA-N 1 3 318.465 2.743 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)NCCN1CCCC[C@@H]1C ZINC000415945928 428633246 /nfs/dbraw/zinc/63/32/46/428633246.db2.gz SCNYCLZOWNHLKA-HNNXBMFYSA-N 1 3 318.465 2.792 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)NCCN1CCCC[C@H]1C ZINC000415945929 428633468 /nfs/dbraw/zinc/63/34/68/428633468.db2.gz SCNYCLZOWNHLKA-OAHLLOKOSA-N 1 3 318.465 2.792 20 0 DFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000362227449 428666154 /nfs/dbraw/zinc/66/61/54/428666154.db2.gz ZODNYMCXCKOIKN-MSOLQXFVSA-N 1 3 323.525 2.687 20 0 DFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000362227449 428666159 /nfs/dbraw/zinc/66/61/59/428666159.db2.gz ZODNYMCXCKOIKN-MSOLQXFVSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H]1CC(C[NH2+]C2CCN(c3ccncc3)CC2)C[C@@H](C)O1 ZINC000298029966 274283197 /nfs/dbraw/zinc/28/31/97/274283197.db2.gz FTPPAVCOHCSLRH-HUUCEWRRSA-N 1 3 303.450 2.844 20 0 DFADHO CC[C@@H](C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)N(CC)CC ZINC000344540914 428674627 /nfs/dbraw/zinc/67/46/27/428674627.db2.gz KQVCYRNFSMUCAH-IRXDYDNUSA-N 1 3 311.514 2.878 20 0 DFADHO CC[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)N(CC)CC ZINC000344540914 428674632 /nfs/dbraw/zinc/67/46/32/428674632.db2.gz KQVCYRNFSMUCAH-IRXDYDNUSA-N 1 3 311.514 2.878 20 0 DFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000362312198 428698904 /nfs/dbraw/zinc/69/89/04/428698904.db2.gz HZRDIXVNUPZHKD-QZTJIDSGSA-N 1 3 323.525 2.687 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCC[C@@H]3CCCF)C2)CC1 ZINC000374616577 428714758 /nfs/dbraw/zinc/71/47/58/428714758.db2.gz AHLFJZQZFDCHSJ-RYRKJORJSA-N 1 3 311.489 2.663 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348262031 428682560 /nfs/dbraw/zinc/68/25/60/428682560.db2.gz HZDZAOSDNFLQQH-VQTJNVASSA-N 1 3 315.505 2.797 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCc2cnn(C)c2)CC1 ZINC000348274253 428688499 /nfs/dbraw/zinc/68/84/99/428688499.db2.gz HCQMRAIFKXUZMC-QGZVFWFLSA-N 1 3 318.509 2.939 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCc2cnn(C)c2)CC1 ZINC000348274253 428688501 /nfs/dbraw/zinc/68/85/01/428688501.db2.gz HCQMRAIFKXUZMC-QGZVFWFLSA-N 1 3 318.509 2.939 20 0 DFADHO C[C@H](C(=O)N[C@@H](CN(C)C)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411185930 428753747 /nfs/dbraw/zinc/75/37/47/428753747.db2.gz OLBBKNCWSYEFGF-HPFXQQBRSA-N 1 3 317.477 2.667 20 0 DFADHO C[C@H](C(=O)N[C@@H](CN(C)C)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411185930 428753752 /nfs/dbraw/zinc/75/37/52/428753752.db2.gz OLBBKNCWSYEFGF-HPFXQQBRSA-N 1 3 317.477 2.667 20 0 DFADHO COC(=O)[C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411175587 428754826 /nfs/dbraw/zinc/75/48/26/428754826.db2.gz DKIJYJOIHGPELL-GOSISDBHSA-N 1 3 316.445 2.667 20 0 DFADHO CC[C@@H]1COCCN1CCC(C)CC[N@@H+]1CCOC[C@H]1CC ZINC000411277181 428770248 /nfs/dbraw/zinc/77/02/48/428770248.db2.gz VQRMBMFNEANQMG-QZTJIDSGSA-N 1 3 312.498 2.624 20 0 DFADHO CC[C@@H]1COCCN1CCC(C)CC[N@H+]1CCOC[C@H]1CC ZINC000411277181 428770251 /nfs/dbraw/zinc/77/02/51/428770251.db2.gz VQRMBMFNEANQMG-QZTJIDSGSA-N 1 3 312.498 2.624 20 0 DFADHO Cc1nc(CO[C@H]2CC[N@@H+](CC[C@H]3CCCN3C)C2)cs1 ZINC000374882033 428774717 /nfs/dbraw/zinc/77/47/17/428774717.db2.gz VIQPPOFRBMSJAR-CVEARBPZSA-N 1 3 309.479 2.527 20 0 DFADHO Cc1nc(CO[C@H]2CC[N@H+](CC[C@H]3CCCN3C)C2)cs1 ZINC000374882033 428774723 /nfs/dbraw/zinc/77/47/23/428774723.db2.gz VIQPPOFRBMSJAR-CVEARBPZSA-N 1 3 309.479 2.527 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411407314 428789893 /nfs/dbraw/zinc/78/98/93/428789893.db2.gz IPNTUYGNGOTQKC-OALUTQOASA-N 1 3 319.468 2.639 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411407314 428789897 /nfs/dbraw/zinc/78/98/97/428789897.db2.gz IPNTUYGNGOTQKC-OALUTQOASA-N 1 3 319.468 2.639 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@H](O)CC(F)(F)F ZINC000348412116 428735702 /nfs/dbraw/zinc/73/57/02/428735702.db2.gz ZPYYHNNXYXHUPW-BFHYXJOUSA-N 1 3 310.404 2.790 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC000348412116 428735704 /nfs/dbraw/zinc/73/57/04/428735704.db2.gz ZPYYHNNXYXHUPW-BFHYXJOUSA-N 1 3 310.404 2.790 20 0 DFADHO CCC[C@]1(C)CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000362432554 428739738 /nfs/dbraw/zinc/73/97/38/428739738.db2.gz ANBOXPZRICQOKY-LJQANCHMSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1CN(C)C ZINC000362606383 428793827 /nfs/dbraw/zinc/79/38/27/428793827.db2.gz NWRAWGOBDPHUQE-JKSUJKDBSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1CN(C)C ZINC000362606383 428793831 /nfs/dbraw/zinc/79/38/31/428793831.db2.gz NWRAWGOBDPHUQE-JKSUJKDBSA-N 1 3 317.477 2.598 20 0 DFADHO Cc1cc2[nH]c(CNCCC[NH+]3CCC(O)CC3)cc2c(C)c1 ZINC000359087135 428809476 /nfs/dbraw/zinc/80/94/76/428809476.db2.gz WJESTPSGAPVHLB-UHFFFAOYSA-N 1 3 315.461 2.721 20 0 DFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000345251383 428816154 /nfs/dbraw/zinc/81/61/54/428816154.db2.gz QCGMRXPXLHLTJQ-IXDOHACOSA-N 1 3 309.498 2.630 20 0 DFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000345251383 428816160 /nfs/dbraw/zinc/81/61/60/428816160.db2.gz QCGMRXPXLHLTJQ-IXDOHACOSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@@H]1O ZINC000411562754 428816323 /nfs/dbraw/zinc/81/63/23/428816323.db2.gz BYISKQJHJBYHEL-APWZRJJASA-N 1 3 302.462 2.875 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)N(C)C)CCN1Cc1ccccc1 ZINC000359113295 428823087 /nfs/dbraw/zinc/82/30/87/428823087.db2.gz IKIIHHXBDIHNCR-NSISKUIASA-N 1 3 315.505 2.969 20 0 DFADHO COCCCN(CCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411613000 428824639 /nfs/dbraw/zinc/82/46/39/428824639.db2.gz PCMQGVXKDNUHNN-UHFFFAOYSA-N 1 3 320.477 2.503 20 0 DFADHO c1ncc(CC[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)s1 ZINC000411658726 428835027 /nfs/dbraw/zinc/83/50/27/428835027.db2.gz MZFCCETUNOYTMN-CALCHBBNSA-N 1 3 313.470 2.749 20 0 DFADHO c1ncc(CC[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)s1 ZINC000411658726 428835032 /nfs/dbraw/zinc/83/50/32/428835032.db2.gz MZFCCETUNOYTMN-CALCHBBNSA-N 1 3 313.470 2.749 20 0 DFADHO c1ccc2c(NC[C@@H]3CCC[C@@H]3N3CCOCC3)cc[nH+]c2c1 ZINC000363007858 428840528 /nfs/dbraw/zinc/84/05/28/428840528.db2.gz PBJKRRAKAUMGPQ-KXBFYZLASA-N 1 3 311.429 2.570 20 0 DFADHO C[NH+](C)CC1(CNC(=O)[C@H]2CCCN2C2CCCC2)CCCC1 ZINC000354091147 428859253 /nfs/dbraw/zinc/85/92/53/428859253.db2.gz IHMZMBVSYFZGEY-QGZVFWFLSA-N 1 3 321.509 2.632 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000354105861 428866593 /nfs/dbraw/zinc/86/65/93/428866593.db2.gz FMTUGGXYUUHBPN-INIZCTEOSA-N 1 3 322.497 2.640 20 0 DFADHO CN(Cc1cc(-n2ccnc2)cs1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348878003 428866724 /nfs/dbraw/zinc/86/67/24/428866724.db2.gz QCNKZKXISYNZCI-YIONKMFJSA-N 1 3 316.474 2.991 20 0 DFADHO CN(Cc1cc(-n2ccnc2)cs1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348878003 428866728 /nfs/dbraw/zinc/86/67/28/428866728.db2.gz QCNKZKXISYNZCI-YIONKMFJSA-N 1 3 316.474 2.991 20 0 DFADHO C[C@H]([NH2+][C@H]1CCc2nccn2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000375377631 428867538 /nfs/dbraw/zinc/86/75/38/428867538.db2.gz GLRNIQQWDHZSLZ-UHOSZYNNSA-N 1 3 324.472 2.698 20 0 DFADHO c1cn(CCN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000363152589 428868260 /nfs/dbraw/zinc/86/82/60/428868260.db2.gz YSWASGPONQGYLK-HXUWFJFHSA-N 1 3 324.472 2.871 20 0 DFADHO c1cn(CCN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000363152589 428868263 /nfs/dbraw/zinc/86/82/63/428868263.db2.gz YSWASGPONQGYLK-HXUWFJFHSA-N 1 3 324.472 2.871 20 0 DFADHO CC1(C)C[C@@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CO1 ZINC000417893147 428871124 /nfs/dbraw/zinc/87/11/24/428871124.db2.gz DVZLZNCQJVWEIS-ZWKOTPCHSA-N 1 3 302.462 2.708 20 0 DFADHO CC1(C)C[C@@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000417893147 428871128 /nfs/dbraw/zinc/87/11/28/428871128.db2.gz DVZLZNCQJVWEIS-ZWKOTPCHSA-N 1 3 302.462 2.708 20 0 DFADHO C[C@H]1C[C@@H](O)CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411877937 428875127 /nfs/dbraw/zinc/87/51/27/428875127.db2.gz QXEUBRNLTQXFCW-QFBILLFUSA-N 1 3 302.462 2.875 20 0 DFADHO C[C@@H]1C[C@@H](O)CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411877939 428876385 /nfs/dbraw/zinc/87/63/85/428876385.db2.gz QXEUBRNLTQXFCW-VQIMIIECSA-N 1 3 302.462 2.875 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccccc1F ZINC000349062511 428911266 /nfs/dbraw/zinc/91/12/66/428911266.db2.gz MMIOHCDIFFDWNU-QGZVFWFLSA-N 1 3 307.457 2.674 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccccc1F ZINC000349062511 428911270 /nfs/dbraw/zinc/91/12/70/428911270.db2.gz MMIOHCDIFFDWNU-QGZVFWFLSA-N 1 3 307.457 2.674 20 0 DFADHO COc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1OC ZINC000375509033 428902379 /nfs/dbraw/zinc/90/23/79/428902379.db2.gz VGIUVUBALIDQKH-UHFFFAOYSA-N 1 3 304.434 2.764 20 0 DFADHO COc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1OC ZINC000375509033 428902384 /nfs/dbraw/zinc/90/23/84/428902384.db2.gz VGIUVUBALIDQKH-UHFFFAOYSA-N 1 3 304.434 2.764 20 0 DFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1coc2ccccc12 ZINC000349083724 428917049 /nfs/dbraw/zinc/91/70/49/428917049.db2.gz ZFMUNMUHXHMZFL-UHFFFAOYSA-N 1 3 315.461 2.891 20 0 DFADHO CC(C)COCC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000375590016 428918486 /nfs/dbraw/zinc/91/84/86/428918486.db2.gz FMBDHKDMYNNXBK-UHFFFAOYSA-N 1 3 305.466 2.902 20 0 DFADHO CC(C)COCC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000375590016 428918493 /nfs/dbraw/zinc/91/84/93/428918493.db2.gz FMBDHKDMYNNXBK-UHFFFAOYSA-N 1 3 305.466 2.902 20 0 DFADHO COc1ccc([C@H](O)[C@@H]2CCCN2CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000363460019 428918924 /nfs/dbraw/zinc/91/89/24/428918924.db2.gz VQJVBYHHHSGEKF-WDSOQIARSA-N 1 3 318.461 2.677 20 0 DFADHO COc1ccc([C@H](O)[C@@H]2CCCN2CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000363460019 428918929 /nfs/dbraw/zinc/91/89/29/428918929.db2.gz VQJVBYHHHSGEKF-WDSOQIARSA-N 1 3 318.461 2.677 20 0 DFADHO Cc1cc(C)nc(C2CC[NH+](CC[C@@H]3CCCN3C)CC2)n1 ZINC000375700430 428947079 /nfs/dbraw/zinc/94/70/79/428947079.db2.gz FULBTNDPKHMCJU-KRWDZBQOSA-N 1 3 302.466 2.757 20 0 DFADHO C[C@@H](CC[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1 ZINC000375716548 428952108 /nfs/dbraw/zinc/95/21/08/428952108.db2.gz CKFLSFVZGFBTRO-PKOBYXMFSA-N 1 3 315.505 2.938 20 0 DFADHO COc1cc(F)c([C@H](C)NCCC2=CC[NH2+]CC2)cc1OC ZINC000423538622 428969550 /nfs/dbraw/zinc/96/95/50/428969550.db2.gz NPDGRVCOSZATPW-LBPRGKRZSA-N 1 3 308.397 2.803 20 0 DFADHO Cc1ccc2[nH]c(C[NH2+]C[C@@H](O)CN3CCCCC3)cc2c1C ZINC000349628261 429016656 /nfs/dbraw/zinc/01/66/56/429016656.db2.gz FXZGMPQKHKXCQM-QGZVFWFLSA-N 1 3 315.461 2.721 20 0 DFADHO CN(C)C[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000423775924 429017486 /nfs/dbraw/zinc/01/74/86/429017486.db2.gz PTGOKXBMFVUCHG-IMJJTQAJSA-N 1 3 323.868 2.576 20 0 DFADHO CN(CCN1CCC[C@H]([NH+](C)C)CC1)Cc1ccc(F)cc1 ZINC000375945893 429023915 /nfs/dbraw/zinc/02/39/15/429023915.db2.gz HBVJGACMIQWACN-SFHVURJKSA-N 1 3 307.457 2.674 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000355113228 429029354 /nfs/dbraw/zinc/02/93/54/429029354.db2.gz FISVDOLCEUGDEL-IRXDYDNUSA-N 1 3 311.514 2.780 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+]Cc3ccc4occc4c3)C2)CC1 ZINC000375789822 428974131 /nfs/dbraw/zinc/97/41/31/428974131.db2.gz VAFNZYBBVGUKDO-KRWDZBQOSA-N 1 3 313.445 2.691 20 0 DFADHO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000349382775 428978567 /nfs/dbraw/zinc/97/85/67/428978567.db2.gz SYRNESPKDRJTMQ-BZOVTKSESA-N 1 3 306.450 2.605 20 0 DFADHO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000375855239 428998857 /nfs/dbraw/zinc/99/88/57/428998857.db2.gz ZSZVNAMDGWPUFD-RCCFBDPRSA-N 1 3 316.493 2.890 20 0 DFADHO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000375855239 428998862 /nfs/dbraw/zinc/99/88/62/428998862.db2.gz ZSZVNAMDGWPUFD-RCCFBDPRSA-N 1 3 316.493 2.890 20 0 DFADHO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cn1 ZINC000375855239 428998868 /nfs/dbraw/zinc/99/88/68/428998868.db2.gz ZSZVNAMDGWPUFD-RCCFBDPRSA-N 1 3 316.493 2.890 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)N1CCCCC1 ZINC000354632307 429002078 /nfs/dbraw/zinc/00/20/78/429002078.db2.gz LYTHRPVNRUVCSL-KURKYZTESA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)N1CCCCC1 ZINC000354632307 429002084 /nfs/dbraw/zinc/00/20/84/429002084.db2.gz LYTHRPVNRUVCSL-KURKYZTESA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)C2CCCC2)cc1 ZINC000423716343 429003199 /nfs/dbraw/zinc/00/31/99/429003199.db2.gz WXGXAGNXEBLOAB-AWEZNQCLSA-N 1 3 303.450 2.653 20 0 DFADHO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](N(C)C[C@H]3CC[C@H](C)O3)CC2)O1 ZINC000354673019 429004819 /nfs/dbraw/zinc/00/48/19/429004819.db2.gz NCWOVLSIHJWUCV-ZWJWXYIHSA-N 1 3 324.509 2.908 20 0 DFADHO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](N(C)C[C@H]3CC[C@H](C)O3)CC2)O1 ZINC000354673019 429004825 /nfs/dbraw/zinc/00/48/25/429004825.db2.gz NCWOVLSIHJWUCV-ZWJWXYIHSA-N 1 3 324.509 2.908 20 0 DFADHO C[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H](N)c1ccccc1 ZINC000423745450 429007702 /nfs/dbraw/zinc/00/77/02/429007702.db2.gz MRVIIFVNJVZQFQ-VSVYTNTFSA-N 1 3 317.477 2.559 20 0 DFADHO C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423774176 429014809 /nfs/dbraw/zinc/01/48/09/429014809.db2.gz KSVCYCXRWLMPCY-DLBZAZTESA-N 1 3 317.477 2.655 20 0 DFADHO C/C=C/COc1ccc(CC[C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423447759 429089849 /nfs/dbraw/zinc/08/98/49/429089849.db2.gz AFLMHCCCZKMBJK-GZANACJOSA-N 1 3 300.446 2.770 20 0 DFADHO [NH3+][C@@H](CCC(=O)NCCN1CCCCC1)CC1CCCCC1 ZINC000424135469 429095878 /nfs/dbraw/zinc/09/58/78/429095878.db2.gz MKTGAFKWQRQEJH-KRWDZBQOSA-N 1 3 309.498 2.666 20 0 DFADHO CCC(N)(CC)C[NH2+][C@H](C)CC(=O)Nc1ccccc1OC ZINC000423289754 429057445 /nfs/dbraw/zinc/05/74/45/429057445.db2.gz YCZDQRLTEIDOGG-CYBMUJFWSA-N 1 3 307.438 2.519 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NCC[NH2+]C1CCCCCC1 ZINC000423286479 429057664 /nfs/dbraw/zinc/05/76/64/429057664.db2.gz HPGUMAUIDNXPKB-CQSZACIVSA-N 1 3 304.482 2.812 20 0 DFADHO COc1ccc2c(c1)C[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)CO2 ZINC000423291780 429058325 /nfs/dbraw/zinc/05/83/25/429058325.db2.gz JVAAQYHKYYHQJS-CXAGYDPISA-N 1 3 312.413 2.808 20 0 DFADHO [NH3+]C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)C1CCCC1 ZINC000423935933 429059688 /nfs/dbraw/zinc/05/96/88/429059688.db2.gz BITUCRGWXFFMIK-GOSISDBHSA-N 1 3 315.461 2.530 20 0 DFADHO CCCC[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccccc1OC ZINC000423303973 429059692 /nfs/dbraw/zinc/05/96/92/429059692.db2.gz XVQCFHJQFYRSRL-KBPBESRZSA-N 1 3 307.438 2.519 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423312521 429062960 /nfs/dbraw/zinc/06/29/60/429062960.db2.gz DGXROVQCWLCLEM-BLLLJJGKSA-N 1 3 304.438 2.604 20 0 DFADHO Brc1cccc2c1C[C@H](NC[C@H]1CC[NH2+]C1)CC2 ZINC000423346976 429069446 /nfs/dbraw/zinc/06/94/46/429069446.db2.gz QLHCFPUXTYOILS-WCQYABFASA-N 1 3 309.251 2.506 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000423365983 429075037 /nfs/dbraw/zinc/07/50/37/429075037.db2.gz BIXWRAJJDZPFHQ-DZGCQCFKSA-N 1 3 309.404 2.793 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1 ZINC000423365776 429075397 /nfs/dbraw/zinc/07/53/97/429075397.db2.gz PSGASNYWUBHJFV-RBSFLKMASA-N 1 3 303.450 2.557 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CCN1 ZINC000423382250 429076543 /nfs/dbraw/zinc/07/65/43/429076543.db2.gz OTGUPKBTVWHJKK-PSBWJHGTSA-N 1 3 301.478 2.627 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)c2ccccc21 ZINC000423389319 429079748 /nfs/dbraw/zinc/07/97/48/429079748.db2.gz JICJAWDFCRBSLR-LIRZEXBASA-N 1 3 316.445 2.756 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)N[C@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000423384024 429080324 /nfs/dbraw/zinc/08/03/24/429080324.db2.gz PXGKJQVEGNMKFN-HOSILWTGSA-N 1 3 306.450 2.926 20 0 DFADHO Cc1c([C@H](C)N[C@H](C)CCCC[NH3+])nnn1-c1ccccc1 ZINC000423425841 429085409 /nfs/dbraw/zinc/08/54/09/429085409.db2.gz HGWPUSNQJZWGJG-KGLIPLIRSA-N 1 3 301.438 2.744 20 0 DFADHO C[C@@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)N(C)C1CC1 ZINC000424143227 429097710 /nfs/dbraw/zinc/09/77/10/429097710.db2.gz FNTNQDFFPMTFMQ-GOEBONIOSA-N 1 3 309.498 2.663 20 0 DFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424140707 429098468 /nfs/dbraw/zinc/09/84/68/429098468.db2.gz WOOCOIGAWYIBFM-QZTJIDSGSA-N 1 3 323.525 2.865 20 0 DFADHO CC[C@@H](c1ccc(C(=O)OC)cc1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423505225 429101541 /nfs/dbraw/zinc/10/15/41/429101541.db2.gz GRXUVYZEPIZDFU-RPVQJOFSSA-N 1 3 304.434 2.841 20 0 DFADHO CC[C@@H](c1ccc(C(=O)OC)cc1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423505225 429101546 /nfs/dbraw/zinc/10/15/46/429101546.db2.gz GRXUVYZEPIZDFU-RPVQJOFSSA-N 1 3 304.434 2.841 20 0 DFADHO CC[C@@H](c1ccc(C(=O)OC)cc1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423505225 429101548 /nfs/dbraw/zinc/10/15/48/429101548.db2.gz GRXUVYZEPIZDFU-RPVQJOFSSA-N 1 3 304.434 2.841 20 0 DFADHO C[C@@H](c1ccc2c(c1)C(C)(C)C(=O)N2)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423512810 429102985 /nfs/dbraw/zinc/10/29/85/429102985.db2.gz QLUBLTWOWPLXMB-QHRIQVFBSA-N 1 3 315.461 2.894 20 0 DFADHO C[C@@H](c1ccc2c(c1)C(C)(C)C(=O)N2)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423512810 429102988 /nfs/dbraw/zinc/10/29/88/429102988.db2.gz QLUBLTWOWPLXMB-QHRIQVFBSA-N 1 3 315.461 2.894 20 0 DFADHO C[C@@H](c1ccc2c(c1)C(C)(C)C(=O)N2)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423512810 429102991 /nfs/dbraw/zinc/10/29/91/429102991.db2.gz QLUBLTWOWPLXMB-QHRIQVFBSA-N 1 3 315.461 2.894 20 0 DFADHO COc1ccc([C@@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)c1OC ZINC000423515351 429105183 /nfs/dbraw/zinc/10/51/83/429105183.db2.gz VGVNTWUPJYSMOR-RVZJWNSFSA-N 1 3 306.450 2.990 20 0 DFADHO COc1ccc([C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c(C)c1OC ZINC000423515351 429105189 /nfs/dbraw/zinc/10/51/89/429105189.db2.gz VGVNTWUPJYSMOR-RVZJWNSFSA-N 1 3 306.450 2.990 20 0 DFADHO COc1ccc([C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)c(C)c1OC ZINC000423515351 429105192 /nfs/dbraw/zinc/10/51/92/429105192.db2.gz VGVNTWUPJYSMOR-RVZJWNSFSA-N 1 3 306.450 2.990 20 0 DFADHO CCO[C@@H]1C[C@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)[C@@H]1Oc1ccccc1 ZINC000423516422 429105337 /nfs/dbraw/zinc/10/53/37/429105337.db2.gz WVLCWBKHQCYFLT-LZBKUMLDSA-N 1 3 318.461 2.528 20 0 DFADHO CCO[C@@H]1C[C@H]([N@@H+]2C[C@@H](C)[C@](C)(CN)C2)[C@@H]1Oc1ccccc1 ZINC000423516422 429105344 /nfs/dbraw/zinc/10/53/44/429105344.db2.gz WVLCWBKHQCYFLT-LZBKUMLDSA-N 1 3 318.461 2.528 20 0 DFADHO CCO[C@@H]1C[C@H]([N@H+]2C[C@@H](C)[C@](C)(CN)C2)[C@@H]1Oc1ccccc1 ZINC000423516422 429105349 /nfs/dbraw/zinc/10/53/49/429105349.db2.gz WVLCWBKHQCYFLT-LZBKUMLDSA-N 1 3 318.461 2.528 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1)C1CC1 ZINC000434704142 429107299 /nfs/dbraw/zinc/10/72/99/429107299.db2.gz XGPLKVGUPORYFQ-KDOFPFPSSA-N 1 3 315.461 2.541 20 0 DFADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C12CCC2 ZINC000423530664 429110848 /nfs/dbraw/zinc/11/08/48/429110848.db2.gz RQPBSRWONAMDJV-BVUGMECPSA-N 1 3 318.505 2.933 20 0 DFADHO CO[C@@H]1[C@H](C)[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C12CCC2 ZINC000423530664 429110853 /nfs/dbraw/zinc/11/08/53/429110853.db2.gz RQPBSRWONAMDJV-BVUGMECPSA-N 1 3 318.505 2.933 20 0 DFADHO COc1ccccc1NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C1CCCC1 ZINC000423535018 429111561 /nfs/dbraw/zinc/11/15/61/429111561.db2.gz XASJBETYPUVRKK-CJNGLKHVSA-N 1 3 319.449 2.519 20 0 DFADHO C[C@@H]1CC2(CN1Cc1cn3cc(Cl)ccc3n1)CC[NH2+]CC2 ZINC000424286609 429119024 /nfs/dbraw/zinc/11/90/24/429119024.db2.gz HLHCHWZVPOOALB-CYBMUJFWSA-N 1 3 318.852 2.952 20 0 DFADHO CCN(C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424283798 429119313 /nfs/dbraw/zinc/11/93/13/429119313.db2.gz CEJCPYPZXXHIQC-INIZCTEOSA-N 1 3 315.461 2.504 20 0 DFADHO C[C@@H]1CC2(CN1Cc1ccn(-c3ccccc3)n1)CC[NH2+]CC2 ZINC000424291408 429121897 /nfs/dbraw/zinc/12/18/97/429121897.db2.gz NUNMSSMHKPGMAH-MRXNPFEDSA-N 1 3 310.445 2.836 20 0 DFADHO [NH3+]C[C@H]1CCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435395739 429139252 /nfs/dbraw/zinc/13/92/52/429139252.db2.gz RKWJPQBBDDSWDC-CYBMUJFWSA-N 1 3 324.350 2.672 20 0 DFADHO NCc1cc(NC(=O)CC[C@@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000494670570 429139659 /nfs/dbraw/zinc/13/96/59/429139659.db2.gz ZJYYDUCAOQUVHG-LBPRGKRZSA-N 1 3 315.339 2.635 20 0 DFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3C[C@H](C)[C@H]3C)cc2)CC1 ZINC000494890038 429160901 /nfs/dbraw/zinc/16/09/01/429160901.db2.gz LWPLMJIOOLQLAZ-SQGPQFPESA-N 1 3 315.505 2.958 20 0 DFADHO O=C1CC[C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)c2cc(F)ccc2N1 ZINC000364941897 275018318 /nfs/dbraw/zinc/01/83/18/275018318.db2.gz QCCFHYCHCXCFNN-LRDDRELGSA-N 1 3 317.408 2.673 20 0 DFADHO C[NH2+]CCCN(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000435880317 429170525 /nfs/dbraw/zinc/17/05/25/429170525.db2.gz OGQCMXDIAZMYCD-UHFFFAOYSA-N 1 3 304.413 2.690 20 0 DFADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000495879893 429286284 /nfs/dbraw/zinc/28/62/84/429286284.db2.gz WQBDYFZCKTZTKX-SOUVJXGZSA-N 1 3 313.486 2.704 20 0 DFADHO Cc1nccn1CCC[N@@H+]1CCC[C@H]1CN1CCCCCC1 ZINC000364623351 429236068 /nfs/dbraw/zinc/23/60/68/429236068.db2.gz NDEPTKIVEYMYEA-SFHVURJKSA-N 1 3 304.482 2.922 20 0 DFADHO Cc1nccn1CCC[N@H+]1CCC[C@H]1CN1CCCCCC1 ZINC000364623351 429236071 /nfs/dbraw/zinc/23/60/71/429236071.db2.gz NDEPTKIVEYMYEA-SFHVURJKSA-N 1 3 304.482 2.922 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1(C)C ZINC000442881349 429239631 /nfs/dbraw/zinc/23/96/31/429239631.db2.gz ZFVZOWRBLBOZOX-GOSISDBHSA-N 1 3 319.468 2.819 20 0 DFADHO C[NH+]1CCC(C)(CNCc2cnc(C(F)(F)F)s2)CC1 ZINC000443997247 429262459 /nfs/dbraw/zinc/26/24/59/429262459.db2.gz MBOQIWAVSKXRJO-UHFFFAOYSA-N 1 3 307.385 2.983 20 0 DFADHO CC1CC[NH+](CCN(C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000489951436 429269794 /nfs/dbraw/zinc/26/97/94/429269794.db2.gz DTRLXPHPNRSNCV-HXUWFJFHSA-N 1 3 315.505 2.925 20 0 DFADHO C[C@H](Cc1coc2ccccc12)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000449089953 429328677 /nfs/dbraw/zinc/32/86/77/429328677.db2.gz FOWRSGGUCJJABK-NVXWUHKLSA-N 1 3 316.445 2.800 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2cc3cccnc3o2)C[C@H](C)O1 ZINC000449104289 429332791 /nfs/dbraw/zinc/33/27/91/429332791.db2.gz UTCAFLXZNCQKKO-GJZGRUSLSA-N 1 3 317.433 2.807 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000449134204 429339926 /nfs/dbraw/zinc/33/99/26/429339926.db2.gz HNEYPLULCVCSIP-FMKPAKJESA-N 1 3 323.506 2.635 20 0 DFADHO C[C@@H](Cc1ccoc1)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000449130211 429340193 /nfs/dbraw/zinc/34/01/93/429340193.db2.gz YAFHLHYHILMVGE-INIZCTEOSA-N 1 3 316.445 2.983 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)Cc2cccc(F)c2)CC1 ZINC000449361553 429397139 /nfs/dbraw/zinc/39/71/39/429397139.db2.gz KYNAUSSYRSUDTC-QGZVFWFLSA-N 1 3 308.441 2.582 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000426494048 429398356 /nfs/dbraw/zinc/39/83/56/429398356.db2.gz BAFYVEXLRMXTPL-IRXDYDNUSA-N 1 3 311.514 2.734 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000426494048 429398358 /nfs/dbraw/zinc/39/83/58/429398358.db2.gz BAFYVEXLRMXTPL-IRXDYDNUSA-N 1 3 311.514 2.734 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CC4=CCOCC4)[C@@H]3C2)cc1 ZINC000449402733 429406864 /nfs/dbraw/zinc/40/68/64/429406864.db2.gz NDBMAXUSWHFTHN-XUVXKRRUSA-N 1 3 312.457 2.833 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCC4=CCOCC4)[C@@H]3C2)cc1 ZINC000449402733 429406868 /nfs/dbraw/zinc/40/68/68/429406868.db2.gz NDBMAXUSWHFTHN-XUVXKRRUSA-N 1 3 312.457 2.833 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCC4=CCOCC4)[C@@H]3C2)cc1 ZINC000449402733 429406870 /nfs/dbraw/zinc/40/68/70/429406870.db2.gz NDBMAXUSWHFTHN-XUVXKRRUSA-N 1 3 312.457 2.833 20 0 DFADHO COCC(C)(C)CCCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425896387 429350631 /nfs/dbraw/zinc/35/06/31/429350631.db2.gz OVIAKGFOISQACB-UHFFFAOYSA-N 1 3 309.454 2.684 20 0 DFADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C12CCCN1CCC2 ZINC000365613166 429350734 /nfs/dbraw/zinc/35/07/34/429350734.db2.gz AMUARHWYHRNOOV-QGZVFWFLSA-N 1 3 319.493 2.528 20 0 DFADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C12CCCN1CCC2 ZINC000365613166 429350739 /nfs/dbraw/zinc/35/07/39/429350739.db2.gz AMUARHWYHRNOOV-QGZVFWFLSA-N 1 3 319.493 2.528 20 0 DFADHO CC(C)c1nnc(CCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000426290607 429380211 /nfs/dbraw/zinc/38/02/11/429380211.db2.gz PSDCDAOKWFWRCN-MJBXVCDLSA-N 1 3 308.495 2.666 20 0 DFADHO CC(C)c1nnc(CCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000426290607 429380217 /nfs/dbraw/zinc/38/02/17/429380217.db2.gz PSDCDAOKWFWRCN-MJBXVCDLSA-N 1 3 308.495 2.666 20 0 DFADHO CN(C)Cc1ccc(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000365841513 429384435 /nfs/dbraw/zinc/38/44/35/429384435.db2.gz PKDMLCBWRNWEIT-DOTOQJQBSA-N 1 3 301.434 2.561 20 0 DFADHO CN(C)Cc1ccc(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)cc1 ZINC000365841513 429384438 /nfs/dbraw/zinc/38/44/38/429384438.db2.gz PKDMLCBWRNWEIT-DOTOQJQBSA-N 1 3 301.434 2.561 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366259234 429442966 /nfs/dbraw/zinc/44/29/66/429442966.db2.gz NCZXLYZLPXPVDN-XOKHGSTOSA-N 1 3 319.424 2.759 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000366259234 429442969 /nfs/dbraw/zinc/44/29/69/429442969.db2.gz NCZXLYZLPXPVDN-XOKHGSTOSA-N 1 3 319.424 2.759 20 0 DFADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCCCN2C2CC2)CCCCC1 ZINC000427444722 429450923 /nfs/dbraw/zinc/45/09/23/429450923.db2.gz SZUNPGBSPPDHPZ-KRWDZBQOSA-N 1 3 321.509 2.632 20 0 DFADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCCCN2C2CC2)CCCCC1 ZINC000427444723 429451020 /nfs/dbraw/zinc/45/10/20/429451020.db2.gz SZUNPGBSPPDHPZ-QGZVFWFLSA-N 1 3 321.509 2.632 20 0 DFADHO OCC1(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000449580193 429453159 /nfs/dbraw/zinc/45/31/59/429453159.db2.gz NVOMDNPSLKPMAP-GUDVDZBRSA-N 1 3 314.473 2.649 20 0 DFADHO OCC1(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000449580191 429453920 /nfs/dbraw/zinc/45/39/20/429453920.db2.gz NVOMDNPSLKPMAP-CEXWTWQISA-N 1 3 314.473 2.649 20 0 DFADHO OCC1(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000449580194 429454608 /nfs/dbraw/zinc/45/46/08/429454608.db2.gz NVOMDNPSLKPMAP-IPMKNSEASA-N 1 3 314.473 2.649 20 0 DFADHO CCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)COC1 ZINC000449601384 429459088 /nfs/dbraw/zinc/45/90/88/429459088.db2.gz RJJIUQGBXYKEEO-CEXWTWQISA-N 1 3 314.473 2.913 20 0 DFADHO Cc1noc(C2CCC([NH2+]C[C@@H](C)CN3CCCC3)CC2)n1 ZINC000366478729 429460317 /nfs/dbraw/zinc/46/03/17/429460317.db2.gz VHJSDYASLNUGEL-IUDNXUCKSA-N 1 3 306.454 2.726 20 0 DFADHO CSc1ccc([C@H](CN[C@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000518397094 429420664 /nfs/dbraw/zinc/42/06/64/429420664.db2.gz OOABECQTIFVHJK-ZOBUZTSGSA-N 1 3 307.507 2.871 20 0 DFADHO CO[C@@H]1COCC[C@@H]1C[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000449449899 429420775 /nfs/dbraw/zinc/42/07/75/429420775.db2.gz AERJTXJTYRWQJX-PSBWJHGTSA-N 1 3 324.509 2.671 20 0 DFADHO CO[C@@H]1COCC[C@@H]1CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449449899 429420778 /nfs/dbraw/zinc/42/07/78/429420778.db2.gz AERJTXJTYRWQJX-PSBWJHGTSA-N 1 3 324.509 2.671 20 0 DFADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC000151944071 275746241 /nfs/dbraw/zinc/74/62/41/275746241.db2.gz NETFAILIECMIIS-IRXDYDNUSA-N 1 3 305.466 2.512 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCn4ccnc4C3)CC2)C1 ZINC000427873922 429476056 /nfs/dbraw/zinc/47/60/56/429476056.db2.gz LZGMSKFDTNXACO-NJAFHUGGSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCn4ccnc4C3)CC2)C1 ZINC000427873922 429476059 /nfs/dbraw/zinc/47/60/59/429476059.db2.gz LZGMSKFDTNXACO-NJAFHUGGSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000519817656 429492031 /nfs/dbraw/zinc/49/20/31/429492031.db2.gz GXLGGIHKTPDAAQ-FUHWJXTLSA-N 1 3 304.478 2.863 20 0 DFADHO CCN(CC)C(=[NH2+])NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000366822580 429519617 /nfs/dbraw/zinc/51/96/17/429519617.db2.gz QJJNZKZFUAFVJC-SFHVURJKSA-N 1 3 302.466 2.765 20 0 DFADHO COC(=O)c1ccccc1CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000366956961 429548183 /nfs/dbraw/zinc/54/81/83/429548183.db2.gz XWJXYVKGAOGPQI-UHFFFAOYSA-N 1 3 316.445 2.781 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000521369577 429549084 /nfs/dbraw/zinc/54/90/84/429549084.db2.gz AJUQYQZGHUOLID-HUUCEWRRSA-N 1 3 302.397 2.679 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)c1 ZINC000366977099 429550756 /nfs/dbraw/zinc/55/07/56/429550756.db2.gz LJZXIVGZBNXVGD-AEFFLSMTSA-N 1 3 315.461 2.870 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)c1 ZINC000366977099 429550760 /nfs/dbraw/zinc/55/07/60/429550760.db2.gz LJZXIVGZBNXVGD-AEFFLSMTSA-N 1 3 315.461 2.870 20 0 DFADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000367025809 429562462 /nfs/dbraw/zinc/56/24/62/429562462.db2.gz FIZCKVBJLLMBPB-INIZCTEOSA-N 1 3 312.461 2.827 20 0 DFADHO CC[N@@H+]1CC[C@@H](CNCc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000367025809 429562465 /nfs/dbraw/zinc/56/24/65/429562465.db2.gz FIZCKVBJLLMBPB-INIZCTEOSA-N 1 3 312.461 2.827 20 0 DFADHO CC[N@H+]1CC[C@@H](CNCc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000367025809 429562467 /nfs/dbraw/zinc/56/24/67/429562467.db2.gz FIZCKVBJLLMBPB-INIZCTEOSA-N 1 3 312.461 2.827 20 0 DFADHO CC(C)C[C@@H](CN(C)C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000315870379 275900516 /nfs/dbraw/zinc/90/05/16/275900516.db2.gz NEQITTYOOSASEL-KRWDZBQOSA-N 1 3 304.482 2.616 20 0 DFADHO C[C@@H](NC1CC1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000521252596 429545868 /nfs/dbraw/zinc/54/58/68/429545868.db2.gz KSKOELNWBDMTDK-JKSUJKDBSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H](NC1CC1)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000521252596 429545872 /nfs/dbraw/zinc/54/58/72/429545872.db2.gz KSKOELNWBDMTDK-JKSUJKDBSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000429600595 429621654 /nfs/dbraw/zinc/62/16/54/429621654.db2.gz WIRFDMBVILPYKX-NXHRZFHOSA-N 1 3 317.477 2.526 20 0 DFADHO CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000492819227 429622765 /nfs/dbraw/zinc/62/27/65/429622765.db2.gz RFMIKZOVRPLEGB-MAUKXSAKSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@H](O)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450456792 429631255 /nfs/dbraw/zinc/63/12/55/429631255.db2.gz UKDIUACCQOYUMG-PKOBYXMFSA-N 1 3 302.462 2.745 20 0 DFADHO C[C@H](O)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450456792 429631258 /nfs/dbraw/zinc/63/12/58/429631258.db2.gz UKDIUACCQOYUMG-PKOBYXMFSA-N 1 3 302.462 2.745 20 0 DFADHO c1cncc(-c2cnccc2NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000367418160 429644286 /nfs/dbraw/zinc/64/42/86/429644286.db2.gz JUTQRWMYJLXKSH-QGZVFWFLSA-N 1 3 308.429 2.994 20 0 DFADHO c1cncc(-c2cnccc2NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000367418160 429644291 /nfs/dbraw/zinc/64/42/91/429644291.db2.gz JUTQRWMYJLXKSH-QGZVFWFLSA-N 1 3 308.429 2.994 20 0 DFADHO O=C1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C2(CCC2)N1 ZINC000367263588 429606636 /nfs/dbraw/zinc/60/66/36/429606636.db2.gz FGIWULPQAMTNSQ-KRWDZBQOSA-N 1 3 319.493 2.574 20 0 DFADHO O=C1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C2(CCC2)N1 ZINC000367263588 429606639 /nfs/dbraw/zinc/60/66/39/429606639.db2.gz FGIWULPQAMTNSQ-KRWDZBQOSA-N 1 3 319.493 2.574 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@@H]1CCC(F)(F)C1 ZINC000450600354 429658498 /nfs/dbraw/zinc/65/84/98/429658498.db2.gz NLLIBECSKFREPT-TUVASFSCSA-N 1 3 302.409 2.605 20 0 DFADHO C[N@H+](CCc1cscn1)CC1CCN(c2ccncc2)CC1 ZINC000450635318 429666797 /nfs/dbraw/zinc/66/67/97/429666797.db2.gz AWOHYVWUCMQHHD-UHFFFAOYSA-N 1 3 316.474 2.929 20 0 DFADHO C[N@@H+](CCc1cscn1)CC1CCN(c2ccncc2)CC1 ZINC000450635318 429666801 /nfs/dbraw/zinc/66/68/01/429666801.db2.gz AWOHYVWUCMQHHD-UHFFFAOYSA-N 1 3 316.474 2.929 20 0 DFADHO CCC(=O)CCC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450642388 429667941 /nfs/dbraw/zinc/66/79/41/429667941.db2.gz PAZOVBUXSRVNNN-UHFFFAOYSA-N 1 3 303.450 2.989 20 0 DFADHO CCC(=O)CCC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450642388 429667946 /nfs/dbraw/zinc/66/79/46/429667946.db2.gz PAZOVBUXSRVNNN-UHFFFAOYSA-N 1 3 303.450 2.989 20 0 DFADHO C[C@H]1C[N@H+](CC23CCC(CC2)C3)CCN1C1CCN(C)CC1 ZINC000450648599 429670491 /nfs/dbraw/zinc/67/04/91/429670491.db2.gz HXAQQLOEJFMMST-MUYFXNHWSA-N 1 3 305.510 2.667 20 0 DFADHO C[C@H]1C[N@@H+](CC23CCC(CC2)C3)CCN1C1CCN(C)CC1 ZINC000450648599 429670492 /nfs/dbraw/zinc/67/04/92/429670492.db2.gz HXAQQLOEJFMMST-MUYFXNHWSA-N 1 3 305.510 2.667 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000154300358 276195082 /nfs/dbraw/zinc/19/50/82/276195082.db2.gz PTZZTUMEWSPBRV-MRXNPFEDSA-N 1 3 307.507 2.743 20 0 DFADHO C[N@@H+]1CC[C@H](NCC[C@](C)(O)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000367631757 429689069 /nfs/dbraw/zinc/68/90/69/429689069.db2.gz FFGGLTNRHMOZBQ-OKYOBFRVSA-N 1 3 302.462 2.747 20 0 DFADHO C[N@H+]1CC[C@H](NCC[C@](C)(O)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000367631757 429689072 /nfs/dbraw/zinc/68/90/72/429689072.db2.gz FFGGLTNRHMOZBQ-OKYOBFRVSA-N 1 3 302.462 2.747 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H]2COC3(CCC(C)CC3)O2)[C@H](C)C1 ZINC000133266347 276229412 /nfs/dbraw/zinc/22/94/12/276229412.db2.gz HIYPJTFJUOXKLO-MFJUZZNBSA-N 1 3 310.482 2.628 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H]2COC3(CCC(C)CC3)O2)[C@H](C)C1 ZINC000133266347 276229413 /nfs/dbraw/zinc/22/94/13/276229413.db2.gz HIYPJTFJUOXKLO-MFJUZZNBSA-N 1 3 310.482 2.628 20 0 DFADHO CC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000367621290 429686739 /nfs/dbraw/zinc/68/67/39/429686739.db2.gz ZVOCVNKCODMVOI-RCCFBDPRSA-N 1 3 301.434 2.607 20 0 DFADHO CCN(CC)[C@@H](C[NH2+][C@H]1CCN(CC)C[C@H]1C)c1ccco1 ZINC000119081492 276336807 /nfs/dbraw/zinc/33/68/07/276336807.db2.gz HKJAGIGKZUXYTG-IKGGRYGDSA-N 1 3 307.482 2.982 20 0 DFADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)Nc1ccc(Cl)cc1F ZINC000430580536 429697140 /nfs/dbraw/zinc/69/71/40/429697140.db2.gz RZDZMRMZJUZHNN-HNNXBMFYSA-N 1 3 315.820 2.771 20 0 DFADHO CCCN(C(=O)C[C@@H](C)[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000430689794 429709269 /nfs/dbraw/zinc/70/92/69/429709269.db2.gz BEBJGXPVAUEPAI-AEFFLSMTSA-N 1 3 317.477 2.627 20 0 DFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000430889154 429721266 /nfs/dbraw/zinc/72/12/66/429721266.db2.gz LWPMBNFJPDPWQC-VVLHAWIVSA-N 1 3 309.498 2.663 20 0 DFADHO CN(C(=[NH2+])NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000367809450 429721625 /nfs/dbraw/zinc/72/16/25/429721625.db2.gz GHASTMSWZZFZTJ-XJKSGUPXSA-N 1 3 320.868 2.951 20 0 DFADHO Clc1cc2c(c(CN3CCC4(CC[NH2+]C4)CC3)c1)OCC2 ZINC000430933746 429724408 /nfs/dbraw/zinc/72/44/08/429724408.db2.gz LXHPDSZFPHFQGB-UHFFFAOYSA-N 1 3 306.837 2.850 20 0 DFADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430952094 429729119 /nfs/dbraw/zinc/72/91/19/429729119.db2.gz XTISBFDCEULKHR-MAUKXSAKSA-N 1 3 317.477 2.655 20 0 DFADHO Cn1cccc1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000367958640 429752256 /nfs/dbraw/zinc/75/22/56/429752256.db2.gz FBVVSOLMXAXDBJ-MOPGFXCFSA-N 1 3 309.457 2.979 20 0 DFADHO Cn1cccc1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000367958640 429752259 /nfs/dbraw/zinc/75/22/59/429752259.db2.gz FBVVSOLMXAXDBJ-MOPGFXCFSA-N 1 3 309.457 2.979 20 0 DFADHO C[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1CC1(C)C ZINC000486943357 429755695 /nfs/dbraw/zinc/75/56/95/429755695.db2.gz WKOXDQUVPANDTE-YOEHRIQHSA-N 1 3 317.477 2.502 20 0 DFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccccc1CN(C)C ZINC000487056606 429762882 /nfs/dbraw/zinc/76/28/82/429762882.db2.gz DANGWJYICOUZOA-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2[C@H]1CCc2ccccc21 ZINC000368017754 429766275 /nfs/dbraw/zinc/76/62/75/429766275.db2.gz IDEBVVOVFCOFQH-LULLPPNCSA-N 1 3 300.446 2.857 20 0 DFADHO CN(C)C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000431596910 429771627 /nfs/dbraw/zinc/77/16/27/429771627.db2.gz QVRZLEKTUUSEFZ-ROUUACIJSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)C[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000431596910 429771631 /nfs/dbraw/zinc/77/16/31/429771631.db2.gz QVRZLEKTUUSEFZ-ROUUACIJSA-N 1 3 317.477 2.670 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000368257149 429817962 /nfs/dbraw/zinc/81/79/62/429817962.db2.gz DSEMPMUNIRLOAD-ZWKOTPCHSA-N 1 3 315.461 2.631 20 0 DFADHO COc1cccc([C@H](C[NH2+]C2CCN(CC3CC3)CC2)OC)c1 ZINC000527920942 429821972 /nfs/dbraw/zinc/82/19/72/429821972.db2.gz OTFBNLLNBUQYCZ-IBGZPJMESA-N 1 3 318.461 2.847 20 0 DFADHO CN(C)c1ccncc1CNC[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000368281341 429824793 /nfs/dbraw/zinc/82/47/93/429824793.db2.gz BJARFKWBDHQZMR-YLJYHZDGSA-N 1 3 324.472 2.930 20 0 DFADHO CN(C)c1ccncc1CNC[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000368281341 429824795 /nfs/dbraw/zinc/82/47/95/429824795.db2.gz BJARFKWBDHQZMR-YLJYHZDGSA-N 1 3 324.472 2.930 20 0 DFADHO C[C@@H](C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)Cc1ccccc1 ZINC000368375099 429839105 /nfs/dbraw/zinc/83/91/05/429839105.db2.gz RMAIKEZGNLYQHB-IEBWSBKVSA-N 1 3 315.505 2.623 20 0 DFADHO c1ccc2c(c1)CC[C@@H](NC1CC[NH+](C3CCC3)CC1)CO2 ZINC000493895319 429847542 /nfs/dbraw/zinc/84/75/42/429847542.db2.gz WIFLSYOCKWIANX-QGZVFWFLSA-N 1 3 300.446 2.987 20 0 DFADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)N1CCCC[C@H]1C ZINC000494306303 429866360 /nfs/dbraw/zinc/86/63/60/429866360.db2.gz CZDNFIKWZJAPBP-SJORKVTESA-N 1 3 323.525 2.878 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527860532 429811754 /nfs/dbraw/zinc/81/17/54/429811754.db2.gz ALXKUNTWDYYEHR-OAHLLOKOSA-N 1 3 312.816 2.513 20 0 DFADHO CCCN1CCN(C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000369157474 429916627 /nfs/dbraw/zinc/91/66/27/429916627.db2.gz SFLXYXJLDWHXTF-UHFFFAOYSA-N 1 3 315.505 2.987 20 0 DFADHO COc1cnccc1N1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000573590747 429962687 /nfs/dbraw/zinc/96/26/87/429962687.db2.gz HFDOJHQVVLHREK-UHFFFAOYSA-N 1 3 323.440 2.627 20 0 DFADHO CN(C)Cc1ccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000558349929 429967556 /nfs/dbraw/zinc/96/75/56/429967556.db2.gz JZVBWUBFVAGTJN-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO CN(C)Cc1ccc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000558349929 429967561 /nfs/dbraw/zinc/96/75/61/429967561.db2.gz JZVBWUBFVAGTJN-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1cccc3c1CCOC3)C2 ZINC000639659839 429936932 /nfs/dbraw/zinc/93/69/32/429936932.db2.gz PRYSUUDHCAJSGC-LJQANCHMSA-N 1 3 300.446 2.677 20 0 DFADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc3c1CCOC3)C2 ZINC000639659839 429936938 /nfs/dbraw/zinc/93/69/38/429936938.db2.gz PRYSUUDHCAJSGC-LJQANCHMSA-N 1 3 300.446 2.677 20 0 DFADHO CSC[C@H](O)CNCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000574444302 430041971 /nfs/dbraw/zinc/04/19/71/430041971.db2.gz XDWJKTMMIKGKOW-CRAIPNDOSA-N 1 3 322.518 2.875 20 0 DFADHO CSC[C@H](O)CNCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000574444302 430041976 /nfs/dbraw/zinc/04/19/76/430041976.db2.gz XDWJKTMMIKGKOW-CRAIPNDOSA-N 1 3 322.518 2.875 20 0 DFADHO C[C@H](CC(=O)N1CCCCCC1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732495 430093457 /nfs/dbraw/zinc/09/34/57/430093457.db2.gz HRGVPLKJRSZALL-CVEARBPZSA-N 1 3 309.498 2.535 20 0 DFADHO COc1ccccc1OCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000560514803 430051642 /nfs/dbraw/zinc/05/16/42/430051642.db2.gz YPOMLEUJPRWQDI-XHSDSOJGSA-N 1 3 304.434 2.536 20 0 DFADHO COc1ccccc1OCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000560514803 430051647 /nfs/dbraw/zinc/05/16/47/430051647.db2.gz YPOMLEUJPRWQDI-XHSDSOJGSA-N 1 3 304.434 2.536 20 0 DFADHO COc1ccccc1OCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000560514803 430051650 /nfs/dbraw/zinc/05/16/50/430051650.db2.gz YPOMLEUJPRWQDI-XHSDSOJGSA-N 1 3 304.434 2.536 20 0 DFADHO COCC1(NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000560556370 430055830 /nfs/dbraw/zinc/05/58/30/430055830.db2.gz DHIBDXBJIYEJMU-AEFFLSMTSA-N 1 3 324.509 2.815 20 0 DFADHO COCC1([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000560556370 430055834 /nfs/dbraw/zinc/05/58/34/430055834.db2.gz DHIBDXBJIYEJMU-AEFFLSMTSA-N 1 3 324.509 2.815 20 0 DFADHO CC1(F)CCN(CCOCC[NH+]2CCC(C)(F)CC2)CC1 ZINC000640071669 430081283 /nfs/dbraw/zinc/08/12/83/430081283.db2.gz QCMNCWCBKPKIIP-UHFFFAOYSA-N 1 3 304.425 2.651 20 0 DFADHO CC[NH+](CC)CC1CCN(Cc2cncc(OC)c2C)CC1 ZINC000637905083 430167145 /nfs/dbraw/zinc/16/71/45/430167145.db2.gz HSJGTCOGKFRNER-UHFFFAOYSA-N 1 3 305.466 2.952 20 0 DFADHO COc1cc2c(cc1OC)[C@@H](N(C)C[C@H]1CCC[N@H+](C)C1)CC2 ZINC000637930257 430176904 /nfs/dbraw/zinc/17/69/04/430176904.db2.gz LQVDEPMBSXHZSM-YOEHRIQHSA-N 1 3 318.461 2.965 20 0 DFADHO COc1cc2c(cc1OC)[C@@H](N(C)C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000637930257 430176908 /nfs/dbraw/zinc/17/69/08/430176908.db2.gz LQVDEPMBSXHZSM-YOEHRIQHSA-N 1 3 318.461 2.965 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000580639757 430140366 /nfs/dbraw/zinc/14/03/66/430140366.db2.gz NGONETPVCSUQMC-RKDXNWHRSA-N 1 3 324.778 2.881 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000280950798 277032272 /nfs/dbraw/zinc/03/22/72/277032272.db2.gz UBDDJXLTRORKQB-KRWDZBQOSA-N 1 3 302.462 2.845 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]CC[C@H](N)Cc2ccccc2)cn1 ZINC000635004914 430194689 /nfs/dbraw/zinc/19/46/89/430194689.db2.gz GETHSPKFSMYMPJ-QAPCUYQASA-N 1 3 313.445 2.571 20 0 DFADHO COc1ccc(C[C@@H](C)NCC[C@H]([NH3+])Cc2ccccc2)cn1 ZINC000635004914 430194695 /nfs/dbraw/zinc/19/46/95/430194695.db2.gz GETHSPKFSMYMPJ-QAPCUYQASA-N 1 3 313.445 2.571 20 0 DFADHO C[C@@H]1CN(Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000634998448 430189415 /nfs/dbraw/zinc/18/94/15/430189415.db2.gz FTIYNAFLXIAPIT-DGCLKSJQSA-N 1 3 304.825 2.757 20 0 DFADHO C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cnccc1N ZINC000635002994 430191237 /nfs/dbraw/zinc/19/12/37/430191237.db2.gz DEMCJLXYHVSTGW-SOLBZPMBSA-N 1 3 324.472 2.913 20 0 DFADHO C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cnccc1N ZINC000635002994 430191240 /nfs/dbraw/zinc/19/12/40/430191240.db2.gz DEMCJLXYHVSTGW-SOLBZPMBSA-N 1 3 324.472 2.913 20 0 DFADHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000635001225 430191260 /nfs/dbraw/zinc/19/12/60/430191260.db2.gz KWTRUFALTBZFRT-UKMLZYKCSA-N 1 3 321.262 2.819 20 0 DFADHO C[C@@]1(c2ccccc2)CC[C@@H](N2CCC([NH2+]CCO)CC2)C1 ZINC000635002481 430192258 /nfs/dbraw/zinc/19/22/58/430192258.db2.gz SAONTERJWWAISE-RTBURBONSA-N 1 3 302.462 2.543 20 0 DFADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC[C@@H](N)Cc2ccccc2)C12CCC2 ZINC000635007755 430193089 /nfs/dbraw/zinc/19/30/89/430193089.db2.gz PGCBFUGWLPISMX-VDHUWJSZSA-N 1 3 302.462 2.740 20 0 DFADHO CCc1cccnc1[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007658 430193275 /nfs/dbraw/zinc/19/32/75/430193275.db2.gz FYCOPPWIOQHRFV-AWEZNQCLSA-N 1 3 311.433 2.622 20 0 DFADHO FC(F)C1CCC(Nc2cc(N3CCNCC3)cc[nH+]2)CC1 ZINC000635008039 430193651 /nfs/dbraw/zinc/19/36/51/430193651.db2.gz HZMQQAGQKOBWGW-UHFFFAOYSA-N 1 3 310.392 2.727 20 0 DFADHO CC1(C)[C@H]([NH2+]CC[C@H](N)Cc2ccccc2)[C@H]2CCCO[C@@H]21 ZINC000635006885 430193665 /nfs/dbraw/zinc/19/36/65/430193665.db2.gz NCAXNFCYAILWTF-MLHJIOFPSA-N 1 3 302.462 2.740 20 0 DFADHO COc1cccc(C[C@H](C)[NH2+]CC[C@@H](N)Cc2ccccc2)n1 ZINC000635005349 430193857 /nfs/dbraw/zinc/19/38/57/430193857.db2.gz IFGPTTCUCFUJIH-DOTOQJQBSA-N 1 3 313.445 2.571 20 0 DFADHO COc1cccc(C[C@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000635005349 430193863 /nfs/dbraw/zinc/19/38/63/430193863.db2.gz IFGPTTCUCFUJIH-DOTOQJQBSA-N 1 3 313.445 2.571 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000635010742 430195184 /nfs/dbraw/zinc/19/51/84/430195184.db2.gz AWCDHULGJSWZMX-SIUPPRGNSA-N 1 3 306.425 2.881 20 0 DFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccccc1F ZINC000635009286 430195190 /nfs/dbraw/zinc/19/51/90/430195190.db2.gz MVQQLOONYPNFHT-CYBMUJFWSA-N 1 3 300.381 2.803 20 0 DFADHO COc1cccc2c1CC[C@H]([NH2+]Cc1cccc3c1CCNC3)C2 ZINC000635009578 430196773 /nfs/dbraw/zinc/19/67/73/430196773.db2.gz HUHHJBFSCUJWIS-SFHVURJKSA-N 1 3 322.452 2.988 20 0 DFADHO Cc1cc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)oc1C ZINC000635008989 430196911 /nfs/dbraw/zinc/19/69/11/430196911.db2.gz LOADDVIXFBDLFE-ZDUSSCGKSA-N 1 3 300.406 2.874 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000635013102 430197792 /nfs/dbraw/zinc/19/77/92/430197792.db2.gz BYNROGBEUITKHM-DZOHQFGASA-N 1 3 322.880 2.926 20 0 DFADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc2c(c1)OCO2 ZINC000635019549 430197863 /nfs/dbraw/zinc/19/78/63/430197863.db2.gz HWEQEYGJINKQQM-CYBMUJFWSA-N 1 3 310.397 2.912 20 0 DFADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000164350463 277248881 /nfs/dbraw/zinc/24/88/81/277248881.db2.gz HFSHFXHYJVBMGF-IAGOWNOFSA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000164350463 277248882 /nfs/dbraw/zinc/24/88/82/277248882.db2.gz HFSHFXHYJVBMGF-IAGOWNOFSA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000638052872 430221042 /nfs/dbraw/zinc/22/10/42/430221042.db2.gz BTDXPQFKUPXNMS-GOSISDBHSA-N 1 3 317.477 2.662 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](N)CCC(C)C ZINC000638055066 430222353 /nfs/dbraw/zinc/22/23/53/430222353.db2.gz RYAXEHBARLHBJG-SFHVURJKSA-N 1 3 319.493 2.908 20 0 DFADHO C[N@@H+]1CC[C@H](CC(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000635266972 430243335 /nfs/dbraw/zinc/24/33/35/430243335.db2.gz HZRUDVVMEXOIHZ-QGZVFWFLSA-N 1 3 315.461 2.953 20 0 DFADHO C[N@H+]1CC[C@H](CC(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000635266972 430243337 /nfs/dbraw/zinc/24/33/37/430243337.db2.gz HZRUDVVMEXOIHZ-QGZVFWFLSA-N 1 3 315.461 2.953 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635326074 430256215 /nfs/dbraw/zinc/25/62/15/430256215.db2.gz UFRZUOCYGXLTBQ-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635326074 430256220 /nfs/dbraw/zinc/25/62/20/430256220.db2.gz UFRZUOCYGXLTBQ-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO CC(C)(C)N1CCC([NH2+][C@@H]2COc3cc(F)ccc3C2)CC1 ZINC000582014101 430259667 /nfs/dbraw/zinc/25/96/67/430259667.db2.gz HLJXYJHNBBRSQM-INIZCTEOSA-N 1 3 306.425 2.982 20 0 DFADHO CC(C)[N@@H+]1CCCC[C@H]1CN(CCN(C)C)Cc1ccccn1 ZINC000566424728 430260245 /nfs/dbraw/zinc/26/02/45/430260245.db2.gz OUZOSTMJONLNSP-IBGZPJMESA-N 1 3 318.509 2.708 20 0 DFADHO CC(C)[N@H+]1CCCC[C@H]1CN(CCN(C)C)Cc1ccccn1 ZINC000566424728 430260249 /nfs/dbraw/zinc/26/02/49/430260249.db2.gz OUZOSTMJONLNSP-IBGZPJMESA-N 1 3 318.509 2.708 20 0 DFADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)N1CCCC1 ZINC000566481869 430266188 /nfs/dbraw/zinc/26/61/88/430266188.db2.gz GXWBUSJBPBQJMJ-JZXOWHBKSA-N 1 3 317.477 2.692 20 0 DFADHO O=C(Nc1ccc2c(c1)CNC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638257951 430286890 /nfs/dbraw/zinc/28/68/90/430286890.db2.gz DCLQMRZBBRUSJA-KRWDZBQOSA-N 1 3 321.424 2.750 20 0 DFADHO O=C(Nc1ccc2c(c1)CNC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638257951 430286891 /nfs/dbraw/zinc/28/68/91/430286891.db2.gz DCLQMRZBBRUSJA-KRWDZBQOSA-N 1 3 321.424 2.750 20 0 DFADHO CCC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccnc1 ZINC000544578884 430288672 /nfs/dbraw/zinc/28/86/72/430288672.db2.gz HRXLSLNOTBVTIU-GOSISDBHSA-N 1 3 304.482 2.540 20 0 DFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCCCN2)C1 ZINC000567985718 430301610 /nfs/dbraw/zinc/30/16/10/430301610.db2.gz NZAGQLHWUKOTGC-CVEARBPZSA-N 1 3 309.498 2.535 20 0 DFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCCCN2)C1 ZINC000567985718 430301615 /nfs/dbraw/zinc/30/16/15/430301615.db2.gz NZAGQLHWUKOTGC-CVEARBPZSA-N 1 3 309.498 2.535 20 0 DFADHO O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCN1C1CCCC1 ZINC000635546536 430304505 /nfs/dbraw/zinc/30/45/05/430304505.db2.gz APAAYMWYKFAOCI-SFHVURJKSA-N 1 3 321.509 2.776 20 0 DFADHO COc1cc(F)c(CNCC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000568034141 430308869 /nfs/dbraw/zinc/30/88/69/430308869.db2.gz JTBCFZOAZIYJMY-ZDUSSCGKSA-N 1 3 310.413 2.664 20 0 DFADHO COc1cc(F)c(CNCC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000568034141 430308872 /nfs/dbraw/zinc/30/88/72/430308872.db2.gz JTBCFZOAZIYJMY-ZDUSSCGKSA-N 1 3 310.413 2.664 20 0 DFADHO CCC(CC)[C@H](CN[C@H](C)C[C@@H]1CCCC(=O)N1)[NH+]1CCCC1 ZINC000638349966 430311370 /nfs/dbraw/zinc/31/13/70/430311370.db2.gz XPERVCOPUGEIBC-NJAFHUGGSA-N 1 3 323.525 2.924 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cc2c(cn1)OCCO2 ZINC000638365229 430318151 /nfs/dbraw/zinc/31/81/51/430318151.db2.gz CRVRLUFNOJMYCY-OAHLLOKOSA-N 1 3 319.449 2.597 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cc2c(cn1)OCCO2 ZINC000638365229 430318155 /nfs/dbraw/zinc/31/81/55/430318155.db2.gz CRVRLUFNOJMYCY-OAHLLOKOSA-N 1 3 319.449 2.597 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cc2c(cn1)OCCO2 ZINC000638365228 430318781 /nfs/dbraw/zinc/31/87/81/430318781.db2.gz CRVRLUFNOJMYCY-HNNXBMFYSA-N 1 3 319.449 2.597 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cc2c(cn1)OCCO2 ZINC000638365228 430318786 /nfs/dbraw/zinc/31/87/86/430318786.db2.gz CRVRLUFNOJMYCY-HNNXBMFYSA-N 1 3 319.449 2.597 20 0 DFADHO Cc1cccc(C)c1OCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638397771 430330617 /nfs/dbraw/zinc/33/06/17/430330617.db2.gz HHTUWMSKLXLLLJ-UHFFFAOYSA-N 1 3 320.477 2.507 20 0 DFADHO CC(C)(C)O[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCCC2)C12CCC2 ZINC000638412355 430334497 /nfs/dbraw/zinc/33/44/97/430334497.db2.gz OETNEUMMQIKPJH-IXDOHACOSA-N 1 3 324.509 2.549 20 0 DFADHO Cc1noc(CCCNC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000582802396 430336538 /nfs/dbraw/zinc/33/65/38/430336538.db2.gz ZBBJIFZNNLWVLA-UHFFFAOYSA-N 1 3 306.454 2.697 20 0 DFADHO Cc1noc(CCC[NH2+]C2CCN(C3CCCCC3)CC2)n1 ZINC000582802396 430336544 /nfs/dbraw/zinc/33/65/44/430336544.db2.gz ZBBJIFZNNLWVLA-UHFFFAOYSA-N 1 3 306.454 2.697 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000568236441 430336788 /nfs/dbraw/zinc/33/67/88/430336788.db2.gz KKFABNDRWMCZMZ-UHFFFAOYSA-N 1 3 314.477 2.675 20 0 DFADHO CCN1CCC[C@@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638450783 430346364 /nfs/dbraw/zinc/34/63/64/430346364.db2.gz HMJOWOLUXXRLHY-ROUUACIJSA-N 1 3 301.478 2.834 20 0 DFADHO OC1CCN(Cc2ccccc2C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638720601 430416147 /nfs/dbraw/zinc/41/61/47/430416147.db2.gz SZSPLOLGVLJAQY-IDHPPYADSA-N 1 3 314.473 2.779 20 0 DFADHO c1n[nH]c2c1CCC[C@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000568380974 430352443 /nfs/dbraw/zinc/35/24/43/430352443.db2.gz WARXSIQCJPHVFT-JTDSTZFVSA-N 1 3 324.428 2.633 20 0 DFADHO c1cnn(C2CC([NH2+]C[C@H]3CCN(CCc4ccccc4)C3)C2)c1 ZINC000638521781 430367003 /nfs/dbraw/zinc/36/70/03/430367003.db2.gz OUNKBOQUFJWJII-XEVCZEQESA-N 1 3 324.472 2.741 20 0 DFADHO Cc1ccc2c(c1)[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)CC2 ZINC000638543059 430371357 /nfs/dbraw/zinc/37/13/57/430371357.db2.gz COMZCKNEMGNRRZ-SFHVURJKSA-N 1 3 302.462 2.807 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c1 ZINC000568617992 430376295 /nfs/dbraw/zinc/37/62/95/430376295.db2.gz KLEDQRUPBVQDLI-IIDMSEBBSA-N 1 3 303.450 2.629 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)c1 ZINC000568617992 430376300 /nfs/dbraw/zinc/37/63/00/430376300.db2.gz KLEDQRUPBVQDLI-IIDMSEBBSA-N 1 3 303.450 2.629 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)[C@H]1CC2CCC1CC2 ZINC000638587430 430382198 /nfs/dbraw/zinc/38/21/98/430382198.db2.gz CMIUJHUIXROJNK-MXUDFOLISA-N 1 3 319.537 2.959 20 0 DFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000568766798 430390985 /nfs/dbraw/zinc/39/09/85/430390985.db2.gz MVNPIRLRJVEFHF-RDJZCZTQSA-N 1 3 317.477 2.513 20 0 DFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000568766798 430390989 /nfs/dbraw/zinc/39/09/89/430390989.db2.gz MVNPIRLRJVEFHF-RDJZCZTQSA-N 1 3 317.477 2.513 20 0 DFADHO Cc1cccc(O[C@H](C)CNC2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638630489 430393030 /nfs/dbraw/zinc/39/30/30/430393030.db2.gz NSLIHYPBVVIMEV-MRXNPFEDSA-N 1 3 320.477 2.587 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(CC(C)C)C2)[C@]12CCCO2 ZINC000638787837 430433846 /nfs/dbraw/zinc/43/38/46/430433846.db2.gz KACBVHKTKMSMDL-INDMIFKZSA-N 1 3 324.509 2.671 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000569330362 430444305 /nfs/dbraw/zinc/44/43/05/430444305.db2.gz SKLVECSFUZQBQR-JVPBZIDWSA-N 1 3 311.429 2.591 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCc2nc(-c3ccccn3)cs2)C1 ZINC000569355417 430448503 /nfs/dbraw/zinc/44/85/03/430448503.db2.gz LBBIYLFXZBXBDP-STQMWFEESA-N 1 3 302.447 2.607 20 0 DFADHO CC[C@H](C)[C@@H](C[NH2+]CC1CCN(c2ccncc2)CC1)OC ZINC000638836341 430449461 /nfs/dbraw/zinc/44/94/61/430449461.db2.gz FHKNTAQOJFKLLQ-MAUKXSAKSA-N 1 3 305.466 2.949 20 0 DFADHO CO[C@](C)(C[NH2+]CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000638836595 430449658 /nfs/dbraw/zinc/44/96/58/430449658.db2.gz JAVAJRAFSGOGLS-GOSISDBHSA-N 1 3 303.450 2.703 20 0 DFADHO COc1cncc(/C=C/CCN(C)CCC[NH+]2CCCC2)c1 ZINC000584050455 430454481 /nfs/dbraw/zinc/45/44/81/430454481.db2.gz VDYFEYHABYDVDQ-FPYGCLRLSA-N 1 3 303.450 2.911 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccncc1N ZINC000641737445 430456636 /nfs/dbraw/zinc/45/66/36/430456636.db2.gz VLLBUSHCGIRWNJ-HZPDHXFCSA-N 1 3 324.472 2.910 20 0 DFADHO CN1CCN(CCCC[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000548255637 430458055 /nfs/dbraw/zinc/45/80/55/430458055.db2.gz UXOKJYUGHRACAW-UHFFFAOYSA-N 1 3 313.848 2.596 20 0 DFADHO CCN1CCC[C@@H]1CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548393227 430468863 /nfs/dbraw/zinc/46/88/63/430468863.db2.gz RXYNMIVZQMOYJY-QGZVFWFLSA-N 1 3 309.498 2.584 20 0 DFADHO CCN1CCC[C@@H]1CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548393227 430468865 /nfs/dbraw/zinc/46/88/65/430468865.db2.gz RXYNMIVZQMOYJY-QGZVFWFLSA-N 1 3 309.498 2.584 20 0 DFADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000641802811 430475662 /nfs/dbraw/zinc/47/56/62/430475662.db2.gz PHAXOYOGFYKWHE-STQMWFEESA-N 1 3 302.340 2.800 20 0 DFADHO CCCc1nc(C)c(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)o1 ZINC000641798754 430477408 /nfs/dbraw/zinc/47/74/08/430477408.db2.gz HSTRTWZDVLNVIE-JKSUJKDBSA-N 1 3 321.465 2.654 20 0 DFADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000641806845 430477799 /nfs/dbraw/zinc/47/77/99/430477799.db2.gz RRIACEAYZCWLFB-STQMWFEESA-N 1 3 313.239 2.543 20 0 DFADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000641804173 430478541 /nfs/dbraw/zinc/47/85/41/430478541.db2.gz JACOAGGWQHDMKK-OLZOCXBDSA-N 1 3 313.804 2.523 20 0 DFADHO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H](C)N1CCCCCC1 ZINC000547798651 430422966 /nfs/dbraw/zinc/42/29/66/430422966.db2.gz NVLNEGHLWSEEKW-IAGOWNOFSA-N 1 3 309.498 2.584 20 0 DFADHO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H](C)N1CCCCCC1 ZINC000547798651 430422972 /nfs/dbraw/zinc/42/29/72/430422972.db2.gz NVLNEGHLWSEEKW-IAGOWNOFSA-N 1 3 309.498 2.584 20 0 DFADHO C[NH+](C)[C@@H]1CCC[C@H](NCCC(=O)Nc2cccc(F)c2)C1 ZINC000569921086 430498513 /nfs/dbraw/zinc/49/85/13/430498513.db2.gz OEPLZPZWEVNIAM-GOEBONIOSA-N 1 3 307.413 2.617 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000569921086 430498515 /nfs/dbraw/zinc/49/85/15/430498515.db2.gz OEPLZPZWEVNIAM-GOEBONIOSA-N 1 3 307.413 2.617 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN1CCCC[C@H]1CCc1ccccc1 ZINC000569937769 430499932 /nfs/dbraw/zinc/49/99/32/430499932.db2.gz NNHPYVCZRZTXOM-RBUKOAKNSA-N 1 3 304.478 2.786 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@H]1CCc1ccccc1 ZINC000569937769 430499934 /nfs/dbraw/zinc/49/99/34/430499934.db2.gz NNHPYVCZRZTXOM-RBUKOAKNSA-N 1 3 304.478 2.786 20 0 DFADHO Cn1cc(CCCNC[C@H]2CCC[N@@H+]2C2CCCCC2)cn1 ZINC000639133682 430538164 /nfs/dbraw/zinc/53/81/64/430538164.db2.gz VNUFCPSCTINZHZ-GOSISDBHSA-N 1 3 304.482 2.739 20 0 DFADHO Cn1cc(CCCNC[C@H]2CCC[N@H+]2C2CCCCC2)cn1 ZINC000639133682 430538168 /nfs/dbraw/zinc/53/81/68/430538168.db2.gz VNUFCPSCTINZHZ-GOSISDBHSA-N 1 3 304.482 2.739 20 0 DFADHO C[C@H](N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000643451867 430600770 /nfs/dbraw/zinc/60/07/70/430600770.db2.gz NIMVKBUIBRPPPF-QXAKKESOSA-N 1 3 301.478 2.944 20 0 DFADHO CC[N@H+](CCCN1CCCC1)Cc1cccn(C(F)F)c1=O ZINC000639175223 430555399 /nfs/dbraw/zinc/55/53/99/430555399.db2.gz JOMBDNVTBJGOAA-UHFFFAOYSA-N 1 3 313.392 2.551 20 0 DFADHO CC[N@@H+](CCCN1CCCC1)Cc1cccn(C(F)F)c1=O ZINC000639175223 430555400 /nfs/dbraw/zinc/55/54/00/430555400.db2.gz JOMBDNVTBJGOAA-UHFFFAOYSA-N 1 3 313.392 2.551 20 0 DFADHO C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)C1 ZINC000552047819 430581865 /nfs/dbraw/zinc/58/18/65/430581865.db2.gz ZTFANYIMHBFQTJ-XDNAFOTISA-N 1 3 307.526 2.959 20 0 DFADHO Clc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCNCC3)C2)cc1 ZINC000643453247 430601889 /nfs/dbraw/zinc/60/18/89/430601889.db2.gz SZGDJXGCSCFGMO-ZBFHGGJFSA-N 1 3 307.869 2.898 20 0 DFADHO C[C@@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccncc1Cl ZINC000643346175 430588782 /nfs/dbraw/zinc/58/87/82/430588782.db2.gz GTIWAWFKASKGQK-KGLIPLIRSA-N 1 3 322.884 2.554 20 0 DFADHO C[C@@H](NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000643453181 430602148 /nfs/dbraw/zinc/60/21/48/430602148.db2.gz MOHWEZFMSFBOHO-LBTNJELSSA-N 1 3 323.431 2.911 20 0 DFADHO C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)(N(C)C)C1 ZINC000552223294 430590768 /nfs/dbraw/zinc/59/07/68/430590768.db2.gz MMNAGPYQIJMRFD-QQXKLLMISA-N 1 3 307.526 2.959 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CC1(F)F ZINC000639264504 430592918 /nfs/dbraw/zinc/59/29/18/430592918.db2.gz FEOMLTSIVXDRFU-HOCLYGCPSA-N 1 3 324.415 2.647 20 0 DFADHO C[NH+]1CCC2(CC1)CN(CC(C)(C)Oc1ccccc1)CCO2 ZINC000639285066 430598153 /nfs/dbraw/zinc/59/81/53/430598153.db2.gz BBRCLJCBVOPPIY-UHFFFAOYSA-N 1 3 318.461 2.641 20 0 DFADHO C[N@H+](C[C@H](O)CNCC(C)(C)c1cccc(Cl)c1)C1CC1 ZINC000571040259 430598656 /nfs/dbraw/zinc/59/86/56/430598656.db2.gz YWWGVIJOXGOFTF-MRXNPFEDSA-N 1 3 310.869 2.662 20 0 DFADHO C[N@@H+](C[C@H](O)CNCC(C)(C)c1cccc(Cl)c1)C1CC1 ZINC000571040259 430598659 /nfs/dbraw/zinc/59/86/59/430598659.db2.gz YWWGVIJOXGOFTF-MRXNPFEDSA-N 1 3 310.869 2.662 20 0 DFADHO CC(C)Oc1ccc2nccc(N3CCO[C@@H]([C@H](C)[NH3+])C3)c2c1 ZINC000643018377 430542481 /nfs/dbraw/zinc/54/24/81/430542481.db2.gz ZXRUNXJVQHYGCJ-SCLBCKFNSA-N 1 3 315.417 2.574 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453210 430602858 /nfs/dbraw/zinc/60/28/58/430602858.db2.gz OXZKIMLVGRIBLE-HBUWYVDXSA-N 1 3 323.431 2.769 20 0 DFADHO Cc1ccc(CCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000643457018 430603212 /nfs/dbraw/zinc/60/32/12/430603212.db2.gz CPIVFZCVDSKFFX-XUVXKRRUSA-N 1 3 316.489 2.983 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C1CCC([NH3+])CC1)c1ccsc1 ZINC000621506570 430605059 /nfs/dbraw/zinc/60/50/59/430605059.db2.gz LOSRSYXFBDVYEH-AVVWSFFYSA-N 1 3 323.506 2.765 20 0 DFADHO c1ccc2c(c1)CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000643478088 430607432 /nfs/dbraw/zinc/60/74/32/430607432.db2.gz XZVMFARSVGMFDT-JOCLIGHLSA-N 1 3 314.473 2.538 20 0 DFADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000643512059 430611823 /nfs/dbraw/zinc/61/18/23/430611823.db2.gz FMWLZKWXZNDSJT-VBNZEHGJSA-N 1 3 301.434 2.739 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCCNCC2)cc1OC ZINC000643522788 430613016 /nfs/dbraw/zinc/61/30/16/430613016.db2.gz SMBZXEKETXDDIA-YCPHGPKFSA-N 1 3 306.450 2.928 20 0 DFADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ncc(-c2ccccc2)n1C ZINC000643536726 430614660 /nfs/dbraw/zinc/61/46/60/430614660.db2.gz VDBDXKSDICJQQK-RHSMWYFYSA-N 1 3 310.445 2.880 20 0 DFADHO CC(C)(O)C[NH+]1CCC(NCC2(C(F)(F)F)CCCC2)CC1 ZINC000639354173 430617986 /nfs/dbraw/zinc/61/79/86/430617986.db2.gz DDJQISMXDKJESN-UHFFFAOYSA-N 1 3 322.415 2.934 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)CC[NH2+]C(C)C)c1ccsc1 ZINC000553952646 430625937 /nfs/dbraw/zinc/62/59/37/430625937.db2.gz MZSGSIOLDUZQEC-HNNXBMFYSA-N 1 3 311.495 2.635 20 0 DFADHO Cc1cccc(OC[C@@H](O)C[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC000571636883 430641635 /nfs/dbraw/zinc/64/16/35/430641635.db2.gz UDYDCYNAVLFBAF-ROUUACIJSA-N 1 3 320.477 2.589 20 0 DFADHO O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC/C=C\c2ccc(Cl)cc2)C1 ZINC000643960278 430645006 /nfs/dbraw/zinc/64/50/06/430645006.db2.gz QWHHHPLXGLJRHX-LQKAGNSSSA-N 1 3 320.864 2.931 20 0 DFADHO O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2NC/C=C\c2ccc(Cl)cc2)C1 ZINC000643960278 430645008 /nfs/dbraw/zinc/64/50/08/430645008.db2.gz QWHHHPLXGLJRHX-LQKAGNSSSA-N 1 3 320.864 2.931 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)[C@@H](C)O1 ZINC000296736599 277985316 /nfs/dbraw/zinc/98/53/16/277985316.db2.gz JTRUAEJKHZNXTF-SPYBWZPUSA-N 1 3 318.461 2.815 20 0 DFADHO C[C@@H](NCCNc1ncc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000572234307 430677541 /nfs/dbraw/zinc/67/75/41/430677541.db2.gz RCNLGRSWCHFOAJ-GHMZBOCLSA-N 1 3 317.264 2.778 20 0 DFADHO CC[C@@H]1Oc2cc([C@H](C)N[C@@H]3CCC[C@H]([NH3+])C3)ccc2NC1=O ZINC000572378793 430685683 /nfs/dbraw/zinc/68/56/83/430685683.db2.gz RIYJUSCRWXOIDZ-ZIEJDFEHSA-N 1 3 317.433 2.717 20 0 DFADHO OC[C@@H](CNC1CC[NH+](CC2CC2)CC1)c1ccccc1Cl ZINC000572551791 430690469 /nfs/dbraw/zinc/69/04/69/430690469.db2.gz LVNRLHHHBNUXIK-OAHLLOKOSA-N 1 3 322.880 2.880 20 0 DFADHO OC[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1Cl ZINC000572551791 430690470 /nfs/dbraw/zinc/69/04/70/430690470.db2.gz LVNRLHHHBNUXIK-OAHLLOKOSA-N 1 3 322.880 2.880 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338317244 278393073 /nfs/dbraw/zinc/39/30/73/278393073.db2.gz PLQAYRKABGKQBN-ZIAGYGMSSA-N 1 3 304.425 2.589 20 0 DFADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)c2ccccc2F)CC1 ZINC000264309066 278395785 /nfs/dbraw/zinc/39/57/85/278395785.db2.gz ZJDQJWVGWJQQFK-HUUCEWRRSA-N 1 3 308.441 2.911 20 0 DFADHO c1ccc(C[N@H+]2C[C@H](CN[C@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000657773381 430731767 /nfs/dbraw/zinc/73/17/67/430731767.db2.gz RDABJMFOUUBHTD-ROUUACIJSA-N 1 3 300.446 2.667 20 0 DFADHO c1ccc(C[N@@H+]2C[C@H](CN[C@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000657773381 430731772 /nfs/dbraw/zinc/73/17/72/430731772.db2.gz RDABJMFOUUBHTD-ROUUACIJSA-N 1 3 300.446 2.667 20 0 DFADHO C[C@H](Cc1cnccn1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000651210948 430737927 /nfs/dbraw/zinc/73/79/27/430737927.db2.gz GQBUQIIEEUNOEJ-OAHLLOKOSA-N 1 3 302.466 2.652 20 0 DFADHO C[C@H](Cc1cnccn1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000651210948 430737934 /nfs/dbraw/zinc/73/79/34/430737934.db2.gz GQBUQIIEEUNOEJ-OAHLLOKOSA-N 1 3 302.466 2.652 20 0 DFADHO CCC(C)(C)[C@H](C)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000651215805 430740237 /nfs/dbraw/zinc/74/02/37/430740237.db2.gz ZEILVWRPSJACOC-HNNXBMFYSA-N 1 3 319.493 2.892 20 0 DFADHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)CCO1 ZINC000648427707 430783125 /nfs/dbraw/zinc/78/31/25/430783125.db2.gz OQAMPUBBCFHZBJ-DLBZAZTESA-N 1 3 306.450 2.674 20 0 DFADHO Fc1cccn2cc(CNCC3CC[NH+](CC4CC4)CC3)nc12 ZINC000657813673 430742901 /nfs/dbraw/zinc/74/29/01/430742901.db2.gz WWQOMAUBRXEQMF-UHFFFAOYSA-N 1 3 316.424 2.685 20 0 DFADHO CC[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccncc1 ZINC000651228802 430743580 /nfs/dbraw/zinc/74/35/80/430743580.db2.gz CYTNQVBVBKZLSH-QZTJIDSGSA-N 1 3 303.450 2.766 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC000644531950 430745472 /nfs/dbraw/zinc/74/54/72/430745472.db2.gz KRNTWWQYBOZRFJ-HNNXBMFYSA-N 1 3 321.440 2.864 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC000644531950 430745477 /nfs/dbraw/zinc/74/54/77/430745477.db2.gz KRNTWWQYBOZRFJ-HNNXBMFYSA-N 1 3 321.440 2.864 20 0 DFADHO CC(C)N1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC000644531950 430745483 /nfs/dbraw/zinc/74/54/83/430745483.db2.gz KRNTWWQYBOZRFJ-HNNXBMFYSA-N 1 3 321.440 2.864 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNCCC(=O)Nc2ccccc2)C1 ZINC000644531948 430746158 /nfs/dbraw/zinc/74/61/58/430746158.db2.gz JPYCBOAWUOGXEO-MRXNPFEDSA-N 1 3 303.450 2.725 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNCCC(=O)Nc2ccccc2)C1 ZINC000644531948 430746164 /nfs/dbraw/zinc/74/61/64/430746164.db2.gz JPYCBOAWUOGXEO-MRXNPFEDSA-N 1 3 303.450 2.725 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000644531948 430746166 /nfs/dbraw/zinc/74/61/66/430746166.db2.gz JPYCBOAWUOGXEO-MRXNPFEDSA-N 1 3 303.450 2.725 20 0 DFADHO CC(C)(C)[C@H](O)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000644532469 430746716 /nfs/dbraw/zinc/74/67/16/430746716.db2.gz SJSWQLNJJZXGAD-MRXNPFEDSA-N 1 3 310.507 2.957 20 0 DFADHO Cc1ccc(OC[C@H](O)CN[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000644569923 430756450 /nfs/dbraw/zinc/75/64/50/430756450.db2.gz OSBKQTDUIPQDAT-SJLPKXTDSA-N 1 3 322.493 2.691 20 0 DFADHO c1ccc(CC[N@@H+]2CC[C@H](CN[C@H]3COC4(CCC4)C3)C2)cc1 ZINC000657867807 430757087 /nfs/dbraw/zinc/75/70/87/430757087.db2.gz PKFMLLPORLIZOC-RTBURBONSA-N 1 3 314.473 2.852 20 0 DFADHO c1ccc(CC[N@H+]2CC[C@H](CN[C@H]3COC4(CCC4)C3)C2)cc1 ZINC000657867807 430757092 /nfs/dbraw/zinc/75/70/92/430757092.db2.gz PKFMLLPORLIZOC-RTBURBONSA-N 1 3 314.473 2.852 20 0 DFADHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCCN(C)C)CCO1 ZINC000648438094 430787064 /nfs/dbraw/zinc/78/70/64/430787064.db2.gz LECLSNOWTHCYTO-DLBZAZTESA-N 1 3 306.450 2.674 20 0 DFADHO CCc1cccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000651710406 430856121 /nfs/dbraw/zinc/85/61/21/430856121.db2.gz AAPCHRKSXBLSAF-IBGZPJMESA-N 1 3 302.462 2.982 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000665234735 430863239 /nfs/dbraw/zinc/86/32/39/430863239.db2.gz JMQWBBDCERURAQ-IJEWVQPXSA-N 1 3 307.869 2.883 20 0 DFADHO COc1cc(OC)c(CNCC2(C)CC[NH+](C)CC2)cc1F ZINC000651757708 430870112 /nfs/dbraw/zinc/87/01/12/430870112.db2.gz AHWPJACQRNWHII-UHFFFAOYSA-N 1 3 310.413 2.664 20 0 DFADHO Cn1cc(C[C@@H]2CCC[C@@H]2N[C@H]2C[C@@H]([NH3+])c3ccccc32)cn1 ZINC000665273180 430879280 /nfs/dbraw/zinc/87/92/80/430879280.db2.gz QZBFTFWPAPBWSU-VLQPXKRTSA-N 1 3 310.445 2.866 20 0 DFADHO Brc1cccc2c1C[C@@H]([NH2+]CC13CC(C1)CN3)CC2 ZINC000665279736 430880008 /nfs/dbraw/zinc/88/00/08/430880008.db2.gz KQHRHLBXQYKHCT-ULKWEWGCSA-N 1 3 321.262 2.648 20 0 DFADHO OCC1CC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000658355726 430884482 /nfs/dbraw/zinc/88/44/82/430884482.db2.gz JGYNCLVJVAUWGX-KMMPOOCJSA-N 1 3 314.473 2.648 20 0 DFADHO Cn1ccnc1[C@@H](NCC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000658358073 430884986 /nfs/dbraw/zinc/88/49/86/430884986.db2.gz YIMMHCAGMSLBCN-KRWDZBQOSA-N 1 3 302.466 2.583 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1 ZINC000665289762 430886096 /nfs/dbraw/zinc/88/60/96/430886096.db2.gz WPDGSBXYGDIOEE-XMTFNYHQSA-N 1 3 315.461 2.587 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1 ZINC000665289762 430886102 /nfs/dbraw/zinc/88/61/02/430886102.db2.gz WPDGSBXYGDIOEE-XMTFNYHQSA-N 1 3 315.461 2.587 20 0 DFADHO CC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000658189893 430838308 /nfs/dbraw/zinc/83/83/08/430838308.db2.gz ZPUCCHXTVMXAMY-NCXUSEDFSA-N 1 3 302.462 2.648 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(c2ccccc2)CC1(C)C ZINC000665299306 430889926 /nfs/dbraw/zinc/88/99/26/430889926.db2.gz KERLXGQLIWYUFZ-ITQYTPKQSA-N 1 3 302.462 2.696 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@]1(c2ccccc2)CC1(C)C ZINC000665299306 430889930 /nfs/dbraw/zinc/88/99/30/430889930.db2.gz KERLXGQLIWYUFZ-ITQYTPKQSA-N 1 3 302.462 2.696 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299914 430891244 /nfs/dbraw/zinc/89/12/44/430891244.db2.gz VILFNBNLIUCBCB-RHSMWYFYSA-N 1 3 316.493 2.621 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299914 430891247 /nfs/dbraw/zinc/89/12/47/430891247.db2.gz VILFNBNLIUCBCB-RHSMWYFYSA-N 1 3 316.493 2.621 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000648814369 430900475 /nfs/dbraw/zinc/90/04/75/430900475.db2.gz KANABCZAIXVAKD-IBGZPJMESA-N 1 3 318.461 2.630 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000648814369 430900481 /nfs/dbraw/zinc/90/04/81/430900481.db2.gz KANABCZAIXVAKD-IBGZPJMESA-N 1 3 318.461 2.630 20 0 DFADHO c1cc([C@@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCO2)ccn1 ZINC000651966099 430927675 /nfs/dbraw/zinc/92/76/75/430927675.db2.gz PDUVMBPBWWJLPG-MLHJIOFPSA-N 1 3 301.434 2.518 20 0 DFADHO c1cc([C@@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCO2)ccn1 ZINC000651966099 430927677 /nfs/dbraw/zinc/92/76/77/430927677.db2.gz PDUVMBPBWWJLPG-MLHJIOFPSA-N 1 3 301.434 2.518 20 0 DFADHO CN(C)CCOc1ccc(CN(C)CC[NH+]2CCCCC2)cc1 ZINC000652057691 430950184 /nfs/dbraw/zinc/95/01/84/430950184.db2.gz QAGNXXLHAGWRDK-UHFFFAOYSA-N 1 3 319.493 2.545 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000659021034 430941846 /nfs/dbraw/zinc/94/18/46/430941846.db2.gz AKPZENGQPZAFJO-ZDUSSCGKSA-N 1 3 316.449 2.532 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000659021034 430941848 /nfs/dbraw/zinc/94/18/48/430941848.db2.gz AKPZENGQPZAFJO-ZDUSSCGKSA-N 1 3 316.449 2.532 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)NCc1ccccc1CN1CCCCC1 ZINC000645226208 430942266 /nfs/dbraw/zinc/94/22/66/430942266.db2.gz NNVBBSMLQSYPGQ-GOSISDBHSA-N 1 3 317.477 2.662 20 0 DFADHO FC1(F)Oc2ccc(CCN[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2O1 ZINC000652038172 430942285 /nfs/dbraw/zinc/94/22/85/430942285.db2.gz LRMJWILURXFXIJ-KBPBESRZSA-N 1 3 324.371 2.767 20 0 DFADHO FC1(F)Oc2ccc(CCN[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2O1 ZINC000652038172 430942290 /nfs/dbraw/zinc/94/22/90/430942290.db2.gz LRMJWILURXFXIJ-KBPBESRZSA-N 1 3 324.371 2.767 20 0 DFADHO O[C@@H]1CCN(C2CC[NH+](CC/C=C\c3ccccc3)CC2)C1 ZINC000662150307 430979511 /nfs/dbraw/zinc/97/95/11/430979511.db2.gz USILXXJXYCQFKP-LKJUBWIJSA-N 1 3 300.446 2.621 20 0 DFADHO O[C@@H]1CCN(C2CC[NH+](CC/C=C/c3ccccc3)CC2)C1 ZINC000662150308 430980526 /nfs/dbraw/zinc/98/05/26/430980526.db2.gz USILXXJXYCQFKP-RRGNZLCHSA-N 1 3 300.446 2.621 20 0 DFADHO C[C@H](c1cc2ccccc2o1)N(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249019 431012072 /nfs/dbraw/zinc/01/20/72/431012072.db2.gz NJVKTWBJWXJDPF-HIFRSBDPSA-N 1 3 300.402 2.947 20 0 DFADHO CC(C)C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(F)cc1 ZINC000652143221 430970626 /nfs/dbraw/zinc/97/06/26/430970626.db2.gz SJGFMHCAPTUYHQ-ROUUACIJSA-N 1 3 308.441 2.959 20 0 DFADHO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662257897 431019830 /nfs/dbraw/zinc/01/98/30/431019830.db2.gz SUFACQAURJPHBK-QZTJIDSGSA-N 1 3 320.452 2.846 20 0 DFADHO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662257897 431019835 /nfs/dbraw/zinc/01/98/35/431019835.db2.gz SUFACQAURJPHBK-QZTJIDSGSA-N 1 3 320.452 2.846 20 0 DFADHO CN(CCc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCC[NH2+]CC1 ZINC000662267344 431025542 /nfs/dbraw/zinc/02/55/42/431025542.db2.gz UFTKXIGUFHINJH-ZDUSSCGKSA-N 1 3 312.360 2.625 20 0 DFADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C2 ZINC000652351642 431028516 /nfs/dbraw/zinc/02/85/16/431028516.db2.gz NKSMYVGLXOBSPV-GUYCJALGSA-N 1 3 321.852 2.729 20 0 DFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C2 ZINC000652351642 431028521 /nfs/dbraw/zinc/02/85/21/431028521.db2.gz NKSMYVGLXOBSPV-GUYCJALGSA-N 1 3 321.852 2.729 20 0 DFADHO CCc1nc2c(s1)[C@@H](N(C)C[C@@H]1CCC3(C[NH2+]C3)O1)CCC2 ZINC000662278278 431030895 /nfs/dbraw/zinc/03/08/95/431030895.db2.gz DPJVIZXFDMVZFC-JSGCOSHPSA-N 1 3 321.490 2.536 20 0 DFADHO CCC[C@@H](NC[C@H]1CCC2(C[NH2+]C2)O1)c1ccc(F)cc1F ZINC000662283523 431032835 /nfs/dbraw/zinc/03/28/35/431032835.db2.gz USQRFXJWALFDDA-CZUORRHYSA-N 1 3 310.388 2.917 20 0 DFADHO Cc1cnc(CCN(C)Cc2cccc3c2CC[NH2+]C3)s1 ZINC000662279648 431032888 /nfs/dbraw/zinc/03/28/88/431032888.db2.gz WLXOZEUBJOMWLV-UHFFFAOYSA-N 1 3 301.459 2.772 20 0 DFADHO c1ccc([C@@H]2C[C@H]3[C@H](CCCN3CC[C@@H]3CC[NH2+]C3)O2)cc1 ZINC000652364264 431032934 /nfs/dbraw/zinc/03/29/34/431032934.db2.gz BUOBUQJGFKPILF-WNHJNPCNSA-N 1 3 300.446 2.981 20 0 DFADHO C[C@H](C(=O)NC1CCCCC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290639 431034549 /nfs/dbraw/zinc/03/45/49/431034549.db2.gz HDAQSOLDMPUCHD-NVXWUHKLSA-N 1 3 321.509 2.535 20 0 DFADHO Cc1cc(C(C)(C)C)cc(C)c1C[NH2+]C1(CO)CCNCC1 ZINC000662286298 431035311 /nfs/dbraw/zinc/03/53/11/431035311.db2.gz QJWDPSKNDRZNCC-UHFFFAOYSA-N 1 3 304.478 2.805 20 0 DFADHO COc1ccccc1OCCN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291365 431035654 /nfs/dbraw/zinc/03/56/54/431035654.db2.gz FQXPBTJEGSTISJ-KRWDZBQOSA-N 1 3 318.461 2.786 20 0 DFADHO C[C@@H]1CCCN(CC(=O)NC2CCCCCC2)[C@@H]1CCC[NH3+] ZINC000662312981 431041221 /nfs/dbraw/zinc/04/12/21/431041221.db2.gz DMSJJSIVWVRTEQ-NVXWUHKLSA-N 1 3 309.498 2.665 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)c1ccccc1 ZINC000662391643 431069839 /nfs/dbraw/zinc/06/98/39/431069839.db2.gz DSXFRYDRIZMRJS-DLBZAZTESA-N 1 3 317.477 2.574 20 0 DFADHO CCN(C(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccccc1 ZINC000662313462 431044107 /nfs/dbraw/zinc/04/41/07/431044107.db2.gz QCUOMMRMGRETEK-SJLPKXTDSA-N 1 3 317.477 2.879 20 0 DFADHO CC(C)([NH3+])CCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000649278988 431055142 /nfs/dbraw/zinc/05/51/42/431055142.db2.gz QBAJFMWOILVTBB-ZDUSSCGKSA-N 1 3 309.479 2.519 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000649295491 431061481 /nfs/dbraw/zinc/06/14/81/431061481.db2.gz OSHXDWIMYAJAKI-AEFFLSMTSA-N 1 3 315.461 2.986 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000649322221 431068331 /nfs/dbraw/zinc/06/83/31/431068331.db2.gz GRFZGQZYYOCLSK-BHYGNILZSA-N 1 3 317.477 2.607 20 0 DFADHO CN(Cc1cccc2c1CC[NH2+]C2)C[C@H]1COc2ccccc2O1 ZINC000662249651 431013668 /nfs/dbraw/zinc/01/36/68/431013668.db2.gz RKUSGIGKXSXBEG-KRWDZBQOSA-N 1 3 324.424 2.604 20 0 DFADHO OC[C@H](CCF)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000652300575 431013777 /nfs/dbraw/zinc/01/37/77/431013777.db2.gz HBIJYNNXSVQCBM-MANSERQUSA-N 1 3 320.452 2.740 20 0 DFADHO OC[C@H](CCF)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000652300575 431013780 /nfs/dbraw/zinc/01/37/80/431013780.db2.gz HBIJYNNXSVQCBM-MANSERQUSA-N 1 3 320.452 2.740 20 0 DFADHO CN(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248688 431013935 /nfs/dbraw/zinc/01/39/35/431013935.db2.gz ASMRLFMRGNKRCI-AWEZNQCLSA-N 1 3 314.351 2.658 20 0 DFADHO CN(Cc1cccc2c1CC[NH2+]C2)[C@H](CCO)c1ccccc1 ZINC000662254749 431014725 /nfs/dbraw/zinc/01/47/25/431014725.db2.gz KYQBSLVLLMBBNE-HXUWFJFHSA-N 1 3 310.441 2.888 20 0 DFADHO C[C@@H]1SCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]1c1ccccc1 ZINC000662254980 431014882 /nfs/dbraw/zinc/01/48/82/431014882.db2.gz NDDBVYOZPUSBGL-XIRDDKMYSA-N 1 3 318.486 2.686 20 0 DFADHO Clc1ccc([C@@H]2CCCN2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251137 431015640 /nfs/dbraw/zinc/01/56/40/431015640.db2.gz ZVFMXXXNLQINFA-HOTGVXAUSA-N 1 3 306.837 2.998 20 0 DFADHO C[C@@H]1CC[N@H+](C[C@H]2CCC3(CNC3)O2)[C@@H]1c1cccc(F)c1 ZINC000662256245 431018563 /nfs/dbraw/zinc/01/85/63/431018563.db2.gz HQQSCZHHDJIFFB-XYPHTWIQSA-N 1 3 304.409 2.730 20 0 DFADHO C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CNC3)O2)[C@@H]1c1cccc(F)c1 ZINC000662256245 431018568 /nfs/dbraw/zinc/01/85/68/431018568.db2.gz HQQSCZHHDJIFFB-XYPHTWIQSA-N 1 3 304.409 2.730 20 0 DFADHO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)c1C ZINC000662256230 431018995 /nfs/dbraw/zinc/01/89/95/431018995.db2.gz JOJUBPZCXDXKNX-FUHWJXTLSA-N 1 3 300.446 2.961 20 0 DFADHO Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)c1C ZINC000662256230 431018996 /nfs/dbraw/zinc/01/89/96/431018996.db2.gz JOJUBPZCXDXKNX-FUHWJXTLSA-N 1 3 300.446 2.961 20 0 DFADHO C[NH+](C)Cc1cccc(NC2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000655745211 431110078 /nfs/dbraw/zinc/11/00/78/431110078.db2.gz FZGRXHLLCIDZJG-LJQANCHMSA-N 1 3 317.477 2.804 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)CC1([NH3+])CCC1)c1ccccc1 ZINC000645927533 431117084 /nfs/dbraw/zinc/11/70/84/431117084.db2.gz QOQXOLUIMUJMBU-AWEZNQCLSA-N 1 3 303.450 2.504 20 0 DFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662450614 431085645 /nfs/dbraw/zinc/08/56/45/431085645.db2.gz UBQPXBPCWUJGNL-IIDMSEBBSA-N 1 3 315.461 2.600 20 0 DFADHO CCCN(C[C@@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000649411911 431093933 /nfs/dbraw/zinc/09/39/33/431093933.db2.gz TVEYAQWXLWDVJN-UXHICEINSA-N 1 3 315.505 2.973 20 0 DFADHO CNCc1ccccc1NC(=O)NCCC[N@H+](C)CC(C)C ZINC000652609883 431099117 /nfs/dbraw/zinc/09/91/17/431099117.db2.gz CYQGDKHDFXZLAY-UHFFFAOYSA-N 1 3 306.454 2.505 20 0 DFADHO CNCc1ccccc1NC(=O)NCCC[N@@H+](C)CC(C)C ZINC000652609883 431099122 /nfs/dbraw/zinc/09/91/22/431099122.db2.gz CYQGDKHDFXZLAY-UHFFFAOYSA-N 1 3 306.454 2.505 20 0 DFADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C1CC1)C1CCCCC1 ZINC000652756866 431126151 /nfs/dbraw/zinc/12/61/51/431126151.db2.gz WXNWFQPMIOQXHQ-GOSISDBHSA-N 1 3 321.509 2.774 20 0 DFADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C1CC1)C1CCCCC1 ZINC000652756866 431126160 /nfs/dbraw/zinc/12/61/60/431126160.db2.gz WXNWFQPMIOQXHQ-GOSISDBHSA-N 1 3 321.509 2.774 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2c(s1)CCNC2 ZINC000662524716 431104403 /nfs/dbraw/zinc/10/44/03/431104403.db2.gz ZDNZBXAVGNEHJK-ZDUSSCGKSA-N 1 3 323.506 2.634 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc2c1CNC2 ZINC000662523247 431105300 /nfs/dbraw/zinc/10/53/00/431105300.db2.gz KUWXUJWYZWWAHL-AWEZNQCLSA-N 1 3 303.450 2.530 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1cc(F)cc2c1OCOC2 ZINC000120696941 288106508 /nfs/dbraw/zinc/10/65/08/288106508.db2.gz QYYAUMOBJUNJOP-PBFPGSCMSA-N 1 3 322.424 2.553 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1cc(F)cc2c1OCOC2 ZINC000120696941 288106510 /nfs/dbraw/zinc/10/65/10/288106510.db2.gz QYYAUMOBJUNJOP-PBFPGSCMSA-N 1 3 322.424 2.553 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C)C[C@H]1C)c1ccccc1 ZINC000359388549 279165328 /nfs/dbraw/zinc/16/53/28/279165328.db2.gz ZSASUATUWNNQSX-BHIYHBOVSA-N 1 3 303.494 2.999 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000104145391 279266957 /nfs/dbraw/zinc/26/69/57/279266957.db2.gz TXJSLPRYNXDJIK-DLBZAZTESA-N 1 3 309.498 2.632 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000104145391 279266958 /nfs/dbraw/zinc/26/69/58/279266958.db2.gz TXJSLPRYNXDJIK-DLBZAZTESA-N 1 3 309.498 2.632 20 0 DFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H](N)c1ccccc1 ZINC000263370710 279322937 /nfs/dbraw/zinc/32/29/37/279322937.db2.gz XZAMSJKPMYJAIV-HPFXQQBRSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H](N)c1ccccc1 ZINC000263370710 279322940 /nfs/dbraw/zinc/32/29/40/279322940.db2.gz XZAMSJKPMYJAIV-HPFXQQBRSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N(C)C1CC1 ZINC000274928849 279348446 /nfs/dbraw/zinc/34/84/46/279348446.db2.gz QNICHMBJEQLARC-ZIFCJYIRSA-N 1 3 315.505 2.969 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000662683558 431162864 /nfs/dbraw/zinc/16/28/64/431162864.db2.gz PFSNQBLWQAGJEC-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000662683558 431162871 /nfs/dbraw/zinc/16/28/71/431162871.db2.gz PFSNQBLWQAGJEC-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO CC1(C)CC[NH2+][C@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000662683061 431162909 /nfs/dbraw/zinc/16/29/09/431162909.db2.gz MVFPRORNKUDVSY-KRWDZBQOSA-N 1 3 315.461 2.999 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662695309 431164885 /nfs/dbraw/zinc/16/48/85/431164885.db2.gz JMQWDJOTMJHOBS-HUUCEWRRSA-N 1 3 321.509 2.534 20 0 DFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C[C@H]1NCc2ccccc21 ZINC000662745331 431183146 /nfs/dbraw/zinc/18/31/46/431183146.db2.gz LYWSZXABKNICOU-SJLPKXTDSA-N 1 3 315.461 2.554 20 0 DFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C[C@H]1NCc2ccccc21 ZINC000662745331 431183154 /nfs/dbraw/zinc/18/31/54/431183154.db2.gz LYWSZXABKNICOU-SJLPKXTDSA-N 1 3 315.461 2.554 20 0 DFADHO [NH3+]C[C@@H](NC(=O)C1(NC2CC2)CCC1)c1ccc2ccccc2c1 ZINC000662774526 431190967 /nfs/dbraw/zinc/19/09/67/431190967.db2.gz NBPFBPYPEZSXBJ-GOSISDBHSA-N 1 3 323.440 2.631 20 0 DFADHO COC[C@@H](C)NCc1cc(Cl)cc(C[NH2+][C@H](C)COC)c1 ZINC000649555298 431157989 /nfs/dbraw/zinc/15/79/89/431157989.db2.gz KHDWXBAXQKPTPY-CHWSQXEVSA-N 1 3 314.857 2.589 20 0 DFADHO [NH3+]CCC[C@@H](NC(=O)c1cccc2c1CCNC2)c1ccccc1 ZINC000662815192 431202964 /nfs/dbraw/zinc/20/29/64/431202964.db2.gz NTKNTJANICQIOF-LJQANCHMSA-N 1 3 323.440 2.542 20 0 DFADHO C[C@@H](CCC(C)(C)C)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000646215343 431228163 /nfs/dbraw/zinc/22/81/63/431228163.db2.gz VNSBQYREUINDGD-INIZCTEOSA-N 1 3 311.514 2.783 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc(OCCN(C)C)c1 ZINC000187885041 279533796 /nfs/dbraw/zinc/53/37/96/279533796.db2.gz PAXTXTXBISOWJQ-WBAXXEDZSA-N 1 3 306.450 2.581 20 0 DFADHO CC[C@H](CC(F)F)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000660118797 431276529 /nfs/dbraw/zinc/27/65/29/431276529.db2.gz WYVUVLXXNLUJDP-LXTVHRRPSA-N 1 3 304.425 2.851 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646409855 431300940 /nfs/dbraw/zinc/30/09/40/431300940.db2.gz BIYDOPULDBPAQA-MSOLQXFVSA-N 1 3 317.477 2.703 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000656197919 431305564 /nfs/dbraw/zinc/30/55/64/431305564.db2.gz DMUIXBZSOLSNIN-SJORKVTESA-N 1 3 316.493 2.899 20 0 DFADHO CCN(CC)C(=O)c1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000656197125 431305954 /nfs/dbraw/zinc/30/59/54/431305954.db2.gz GPKUMDCGGHSLHO-IAGOWNOFSA-N 1 3 303.450 2.528 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653122331 431272720 /nfs/dbraw/zinc/27/27/20/431272720.db2.gz UBLCEARUGSWKKW-HOTGVXAUSA-N 1 3 301.434 2.526 20 0 DFADHO Cc1cc(NC2CCN([C@H]3CCOC3)CC2)ccc1C[NH+](C)C ZINC000656263677 431343707 /nfs/dbraw/zinc/34/37/07/431343707.db2.gz MEGRFNPFTWYZIO-IBGZPJMESA-N 1 3 317.477 2.722 20 0 DFADHO C[C@@H]([NH3+])CCN[C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000666775760 431353682 /nfs/dbraw/zinc/35/36/82/431353682.db2.gz LWLVFABWVODZAJ-GHMZBOCLSA-N 1 3 317.355 2.749 20 0 DFADHO CCC1(O)CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000656516267 431414906 /nfs/dbraw/zinc/41/49/06/431414906.db2.gz FUFDGPHTIYSJEQ-UHFFFAOYSA-N 1 3 303.450 2.724 20 0 DFADHO CCOc1c(Cl)cc(CN[C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666951004 431419632 /nfs/dbraw/zinc/41/96/32/431419632.db2.gz WGNVEQDSACQJFM-HNNXBMFYSA-N 1 3 324.852 2.979 20 0 DFADHO Fc1ccc(Br)cc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666950893 431420544 /nfs/dbraw/zinc/42/05/44/431420544.db2.gz PDHQFPICGOCUPW-ZDUSSCGKSA-N 1 3 313.214 2.820 20 0 DFADHO c1ccc(OCc2cccnc2)c(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000666954516 431423365 /nfs/dbraw/zinc/42/33/65/431423365.db2.gz XCAAFRJOVJZFOQ-IBGZPJMESA-N 1 3 323.440 2.892 20 0 DFADHO COc1ccc(OC(F)F)c(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952288 431423439 /nfs/dbraw/zinc/42/34/39/431423439.db2.gz OTJNTRXKBSRGCH-AWEZNQCLSA-N 1 3 312.360 2.528 20 0 DFADHO CC(C)[C@@H](C(=O)N(C)C1CC[NH+](C(C)C)CC1)N1CCCCC1 ZINC000354555861 279751998 /nfs/dbraw/zinc/75/19/98/279751998.db2.gz BKAIDNWELSSITM-SFHVURJKSA-N 1 3 323.525 2.828 20 0 DFADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000646754452 431386376 /nfs/dbraw/zinc/38/63/76/431386376.db2.gz LEAJDIFLOJUZEQ-GOSISDBHSA-N 1 3 323.525 2.734 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000666858111 431386702 /nfs/dbraw/zinc/38/67/02/431386702.db2.gz XTBILPBLCGNHBC-GDBMZVCRSA-N 1 3 303.450 2.698 20 0 DFADHO CC(C)(C)[C@H](N)c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455337 431392413 /nfs/dbraw/zinc/39/24/13/431392413.db2.gz DKFKHKZQFAHVOR-DOTOQJQBSA-N 1 3 313.449 2.771 20 0 DFADHO CC(C)(C)[C@H](N)c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455337 431392419 /nfs/dbraw/zinc/39/24/19/431392419.db2.gz DKFKHKZQFAHVOR-DOTOQJQBSA-N 1 3 313.449 2.771 20 0 DFADHO CCC[C@@H](N)c1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656469011 431398044 /nfs/dbraw/zinc/39/80/44/431398044.db2.gz YMMOTPFXSLXTMK-IAGOWNOFSA-N 1 3 313.449 2.600 20 0 DFADHO CCC[C@@H](N)c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656469011 431398052 /nfs/dbraw/zinc/39/80/52/431398052.db2.gz YMMOTPFXSLXTMK-IAGOWNOFSA-N 1 3 313.449 2.600 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000656499046 431409157 /nfs/dbraw/zinc/40/91/57/431409157.db2.gz FUJKWQBHWDYYHB-LJQANCHMSA-N 1 3 313.489 2.822 20 0 DFADHO CC(C)c1cc(CNC2CCN(c3cc[nH+]cc3)CC2)on1 ZINC000656499376 431410635 /nfs/dbraw/zinc/41/06/35/431410635.db2.gz IDRWSRWGUBYIBU-UHFFFAOYSA-N 1 3 300.406 2.952 20 0 DFADHO Cn1cc(-c2ccc(C[NH2+][C@H]3CCNC4(CCC4)C3)s2)cn1 ZINC000666993813 431437957 /nfs/dbraw/zinc/43/79/57/431437957.db2.gz LUJXVBWRGLKNOF-AWEZNQCLSA-N 1 3 316.474 2.913 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@@H](C)C1 ZINC000663474689 431438575 /nfs/dbraw/zinc/43/85/75/431438575.db2.gz PGYNGEGSSVQHRY-SMDDNHRTSA-N 1 3 301.356 2.920 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000660538164 431480536 /nfs/dbraw/zinc/48/05/36/431480536.db2.gz NDVFPVCVQSQBSX-MTQWCTHYSA-N 1 3 316.489 2.956 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000660538164 431480543 /nfs/dbraw/zinc/48/05/43/431480543.db2.gz NDVFPVCVQSQBSX-MTQWCTHYSA-N 1 3 316.489 2.956 20 0 DFADHO FCCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000663463282 431427649 /nfs/dbraw/zinc/42/76/49/431427649.db2.gz ZDCLKNHOVDOBIA-BCDXTJNWSA-N 1 3 306.425 2.758 20 0 DFADHO FCCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000663463282 431427652 /nfs/dbraw/zinc/42/76/52/431427652.db2.gz ZDCLKNHOVDOBIA-BCDXTJNWSA-N 1 3 306.425 2.758 20 0 DFADHO CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466567 431430566 /nfs/dbraw/zinc/43/05/66/431430566.db2.gz VOGKQFWNUUDEIT-ZWKOTPCHSA-N 1 3 304.482 2.619 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)cn1 ZINC000663465976 431430812 /nfs/dbraw/zinc/43/08/12/431430812.db2.gz MMKMZCRNDAQIEQ-CRAIPNDOSA-N 1 3 317.477 2.733 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663465976 431430817 /nfs/dbraw/zinc/43/08/17/431430817.db2.gz MMKMZCRNDAQIEQ-CRAIPNDOSA-N 1 3 317.477 2.733 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663465976 431430825 /nfs/dbraw/zinc/43/08/25/431430825.db2.gz MMKMZCRNDAQIEQ-CRAIPNDOSA-N 1 3 317.477 2.733 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCC(C)(C)C2CC2)CC1 ZINC000653554399 431431505 /nfs/dbraw/zinc/43/15/05/431431505.db2.gz BGHKCSNWALXCEV-GOSISDBHSA-N 1 3 307.526 2.915 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CN1CCN(CCC(C)(C)C2CC2)CC1 ZINC000653554399 431431513 /nfs/dbraw/zinc/43/15/13/431431513.db2.gz BGHKCSNWALXCEV-GOSISDBHSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1cccc(CO)c1 ZINC000663471817 431436121 /nfs/dbraw/zinc/43/61/21/431436121.db2.gz YMWJHGYVRQEWOX-CRAIPNDOSA-N 1 3 302.462 2.952 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(c3ccnc4ccccc43)C2)C1 ZINC000650298800 431516700 /nfs/dbraw/zinc/51/67/00/431516700.db2.gz ZQDRPOVFGIFQIJ-CLCXKQKWSA-N 1 3 311.429 2.958 20 0 DFADHO CCc1ccc([C@H]2CC[N@H+](C[C@@H](O)CN(C)C(C)C)C2)cc1 ZINC000660623492 431519597 /nfs/dbraw/zinc/51/95/97/431519597.db2.gz NSLWETRGKQWHCG-OALUTQOASA-N 1 3 304.478 2.739 20 0 DFADHO CCc1ccc([C@H]2CC[N@@H+](C[C@@H](O)CN(C)C(C)C)C2)cc1 ZINC000660623492 431519601 /nfs/dbraw/zinc/51/96/01/431519601.db2.gz NSLWETRGKQWHCG-OALUTQOASA-N 1 3 304.478 2.739 20 0 DFADHO c1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc2c1OCC2 ZINC000656786419 431523882 /nfs/dbraw/zinc/52/38/82/431523882.db2.gz SHHDBRZUXQURRN-GOSISDBHSA-N 1 3 300.446 2.833 20 0 DFADHO COc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1OC ZINC000656786641 431523966 /nfs/dbraw/zinc/52/39/66/431523966.db2.gz VJWVXDAOAKOBRH-KRWDZBQOSA-N 1 3 318.461 2.915 20 0 DFADHO c1cncc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCO2)c1 ZINC000647244865 431524634 /nfs/dbraw/zinc/52/46/34/431524634.db2.gz JWCWLMJAFCVXDF-BRSBDYLESA-N 1 3 301.434 2.518 20 0 DFADHO c1cncc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCO2)c1 ZINC000647244865 431524639 /nfs/dbraw/zinc/52/46/39/431524639.db2.gz JWCWLMJAFCVXDF-BRSBDYLESA-N 1 3 301.434 2.518 20 0 DFADHO CC[C@H](c1cccc(OC)c1)[N@H+](C)C[C@@H](O)CN(C)C(C)C ZINC000660558416 431490973 /nfs/dbraw/zinc/49/09/73/431490973.db2.gz SOPHBUZPSIMOCX-FUHWJXTLSA-N 1 3 308.466 2.779 20 0 DFADHO CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H](O)CN(C)C(C)C ZINC000660558416 431490978 /nfs/dbraw/zinc/49/09/78/431490978.db2.gz SOPHBUZPSIMOCX-FUHWJXTLSA-N 1 3 308.466 2.779 20 0 DFADHO CC[C@H](c1cccc(OC)c1)[N@H+](C)C[C@H](O)CN(C)C(C)C ZINC000660558418 431492424 /nfs/dbraw/zinc/49/24/24/431492424.db2.gz SOPHBUZPSIMOCX-SJLPKXTDSA-N 1 3 308.466 2.779 20 0 DFADHO CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@H](O)CN(C)C(C)C ZINC000660558418 431492429 /nfs/dbraw/zinc/49/24/29/431492429.db2.gz SOPHBUZPSIMOCX-SJLPKXTDSA-N 1 3 308.466 2.779 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647199996 431508419 /nfs/dbraw/zinc/50/84/19/431508419.db2.gz BJMTZGMPAQRKAI-KRWDZBQOSA-N 1 3 324.415 2.921 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000647343968 431560260 /nfs/dbraw/zinc/56/02/60/431560260.db2.gz GTFJNXSCJSSPBN-LMCOJAPRSA-N 1 3 315.505 2.652 20 0 DFADHO CCC[NH+]1CCC(CN[C@@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647287559 431539663 /nfs/dbraw/zinc/53/96/63/431539663.db2.gz KXMYIKOOCOEFHB-HNNXBMFYSA-N 1 3 304.482 2.992 20 0 DFADHO CCC[NH+]1CCC(CN[C@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647287560 431540384 /nfs/dbraw/zinc/54/03/84/431540384.db2.gz KXMYIKOOCOEFHB-OAHLLOKOSA-N 1 3 304.482 2.992 20 0 DFADHO CCOc1ccccc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705345 431654887 /nfs/dbraw/zinc/65/48/87/431654887.db2.gz FAMTZQJDZUXREV-SCTDSRPQSA-N 1 3 318.461 2.804 20 0 DFADHO C[NH+](C)Cc1cccc(CNCc2ccnn2-c2ccncc2)c1 ZINC000657299911 431658809 /nfs/dbraw/zinc/65/88/09/431658809.db2.gz BSLKOJPZTHNQNU-UHFFFAOYSA-N 1 3 321.428 2.619 20 0 DFADHO CC[C@H]1CN(Cc2ccc(C)cc2-c2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000647497751 431606212 /nfs/dbraw/zinc/60/62/12/431606212.db2.gz TWIRIQFQIJKDHD-KXBFYZLASA-N 1 3 312.461 2.955 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000647502807 431610266 /nfs/dbraw/zinc/61/02/66/431610266.db2.gz JHHMQNDGQYQHAJ-UHFFFAOYSA-N 1 3 316.449 2.810 20 0 DFADHO Cc1ccc(-c2nn(C)cc2CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000647511822 431612897 /nfs/dbraw/zinc/61/28/97/431612897.db2.gz ILBQRVANDJHMKZ-NUEKZKHPSA-N 1 3 314.433 2.548 20 0 DFADHO Fc1ccccc1COC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000647538494 431620914 /nfs/dbraw/zinc/62/09/14/431620914.db2.gz VDKVNSJVYWEFIY-HNNXBMFYSA-N 1 3 306.425 2.806 20 0 DFADHO CCOc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543424 431623575 /nfs/dbraw/zinc/62/35/75/431623575.db2.gz NDZHTBXXEZKQLQ-JKSUJKDBSA-N 1 3 303.450 2.692 20 0 DFADHO CC(C)(C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000647545490 431623737 /nfs/dbraw/zinc/62/37/37/431623737.db2.gz WQSDOGOJZLOXQC-QGZVFWFLSA-N 1 3 302.462 2.652 20 0 DFADHO CC(C)(C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000647545490 431623744 /nfs/dbraw/zinc/62/37/44/431623744.db2.gz WQSDOGOJZLOXQC-QGZVFWFLSA-N 1 3 302.462 2.652 20 0 DFADHO CCOc1cccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647543958 431625137 /nfs/dbraw/zinc/62/51/37/431625137.db2.gz UVRMOJLXIYCFTA-HOTGVXAUSA-N 1 3 303.450 2.692 20 0 DFADHO Cc1ccc(F)cc1CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723265 431664829 /nfs/dbraw/zinc/66/48/29/431664829.db2.gz KMPIUTMMPONRAC-KZNAEPCWSA-N 1 3 306.425 2.995 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNCc2ccnn2CC2CC2)C1 ZINC000657311861 431668118 /nfs/dbraw/zinc/66/81/18/431668118.db2.gz XRVGSLBSWYIEBE-INIZCTEOSA-N 1 3 304.482 2.895 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccnn2CC2CC2)C1 ZINC000657311861 431668123 /nfs/dbraw/zinc/66/81/23/431668123.db2.gz XRVGSLBSWYIEBE-INIZCTEOSA-N 1 3 304.482 2.895 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCCc2c1ccc(=O)n2C ZINC000650724608 431669061 /nfs/dbraw/zinc/66/90/61/431669061.db2.gz JBZYSAGRRHWQPR-INMHGKMJSA-N 1 3 317.477 2.663 20 0 DFADHO COC[C@@H](NCCC1(C[NH3+])CC1)c1cccc(Cl)c1F ZINC000650747817 431677100 /nfs/dbraw/zinc/67/71/00/431677100.db2.gz IDWAMISMGWXRQT-CYBMUJFWSA-N 1 3 300.805 2.885 20 0 DFADHO Cc1ncc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1C ZINC000657337757 431688111 /nfs/dbraw/zinc/68/81/11/431688111.db2.gz AJOXKYSLLYJPTJ-HNNXBMFYSA-N 1 3 318.490 2.792 20 0 DFADHO Cc1ncc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1C ZINC000657337757 431688118 /nfs/dbraw/zinc/68/81/18/431688118.db2.gz AJOXKYSLLYJPTJ-HNNXBMFYSA-N 1 3 318.490 2.792 20 0 DFADHO Cc1ncc(C[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)n1C ZINC000657337757 431688126 /nfs/dbraw/zinc/68/81/26/431688126.db2.gz AJOXKYSLLYJPTJ-HNNXBMFYSA-N 1 3 318.490 2.792 20 0 DFADHO COc1c2ccccc2oc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647795891 431689565 /nfs/dbraw/zinc/68/95/65/431689565.db2.gz YWCWJYQTEAQNQY-MELADBBJSA-N 1 3 300.402 2.919 20 0 DFADHO CCC[NH+]1CCC(CNCc2c(C(F)(F)F)cnn2C)CC1 ZINC000657347179 431693325 /nfs/dbraw/zinc/69/33/25/431693325.db2.gz NPLYBTMINRUKRQ-UHFFFAOYSA-N 1 3 318.387 2.651 20 0 DFADHO c1cc2c(cc[nH+]c2N2CCN(CCc3ccccc3)CC2)[nH]1 ZINC000647851726 431708062 /nfs/dbraw/zinc/70/80/62/431708062.db2.gz MDGHYNLOTCVUEH-UHFFFAOYSA-N 1 3 306.413 2.928 20 0 DFADHO C[NH2+]Cc1ccccc1CNCc1cccc(OCCOC)c1 ZINC000650718694 431662735 /nfs/dbraw/zinc/66/27/35/431662735.db2.gz UCEWCBFPSZOBFT-UHFFFAOYSA-N 1 3 314.429 2.721 20 0 DFADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCCc3ccccc32)CC1 ZINC000647908774 431724301 /nfs/dbraw/zinc/72/43/01/431724301.db2.gz HAPHOGKSFQSQPX-GOSISDBHSA-N 1 3 302.462 2.889 20 0 DFADHO CC[NH+](CC)CCOCCNCc1cc2c(cccc2C)[nH]1 ZINC000657433350 431750945 /nfs/dbraw/zinc/75/09/45/431750945.db2.gz RERXBXJVKDRFOT-UHFFFAOYSA-N 1 3 303.450 2.924 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@H](C)N(C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000647964466 431756541 /nfs/dbraw/zinc/75/65/41/431756541.db2.gz LNFBKQVMPVYPAY-RCCFBDPRSA-N 1 3 304.478 2.874 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@H](C)N(C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000647964466 431756548 /nfs/dbraw/zinc/75/65/48/431756548.db2.gz LNFBKQVMPVYPAY-RCCFBDPRSA-N 1 3 304.478 2.874 20 0 DFADHO CC(C)N(C(=O)[C@@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C(C)C ZINC000647975849 431761274 /nfs/dbraw/zinc/76/12/74/431761274.db2.gz GUIDHGNLNSQCNP-KURKYZTESA-N 1 3 323.525 2.732 20 0 DFADHO CN1CCN(CC[NH2+]C2CCC(C3CCC3)CC2)CC1(C)C ZINC000657459152 431763151 /nfs/dbraw/zinc/76/31/51/431763151.db2.gz VDCOSMMHTXOPOH-UHFFFAOYSA-N 1 3 307.526 2.961 20 0 DFADHO CN(CCCC1CC[NH2+]CC1)C[C@H]1COc2ccccc2O1 ZINC000647872327 431714129 /nfs/dbraw/zinc/71/41/29/431714129.db2.gz WNYRUPWWGBKWNU-INIZCTEOSA-N 1 3 304.434 2.538 20 0 DFADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cc(F)ccc2OC(F)F)C1 ZINC000657505097 431790067 /nfs/dbraw/zinc/79/00/67/431790067.db2.gz TZNGJOSJFNJAOZ-GSJFWJNXSA-N 1 3 302.340 2.857 20 0 DFADHO CC[C@H](CN1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000648071580 431807534 /nfs/dbraw/zinc/80/75/34/431807534.db2.gz JKPVXWYKYUSMFP-QGZVFWFLSA-N 1 3 302.462 2.977 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(C3CCN(C)CC3)C1)CC2 ZINC000370634077 281097649 /nfs/dbraw/zinc/09/76/49/281097649.db2.gz JRNBGWOSVKQNFU-PXNSSMCTSA-N 1 3 313.489 2.740 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338317241 290077825 /nfs/dbraw/zinc/07/78/25/290077825.db2.gz PLQAYRKABGKQBN-UONOGXRCSA-N 1 3 304.425 2.589 20 0 DFADHO COc1cc([C@H](C)NCCN2CCC([NH+](C)C)CC2)ccc1F ZINC000154134431 295293074 /nfs/dbraw/zinc/29/30/74/295293074.db2.gz WRTMRZNNUWSYHG-AWEZNQCLSA-N 1 3 323.456 2.511 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(F)c(OC)c1 ZINC000154184665 295293726 /nfs/dbraw/zinc/29/37/26/295293726.db2.gz YRASRIMEWMMLSY-DZGCQCFKSA-N 1 3 312.429 2.842 20 0 DFADHO CC(C)[NH+](CCCNC1CCN(CC(F)F)CC1)C(C)C ZINC000155827390 295326494 /nfs/dbraw/zinc/32/64/94/295326494.db2.gz GLYRUUPOVJXPKB-UHFFFAOYSA-N 1 3 305.457 2.814 20 0 DFADHO CCCC[N@H+](C)CC1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000157595690 295350834 /nfs/dbraw/zinc/35/08/34/295350834.db2.gz VCSKIEAMNQLXBF-UHFFFAOYSA-N 1 3 306.498 2.981 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000157595690 295350835 /nfs/dbraw/zinc/35/08/35/295350835.db2.gz VCSKIEAMNQLXBF-UHFFFAOYSA-N 1 3 306.498 2.981 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370763275 295462737 /nfs/dbraw/zinc/46/27/37/295462737.db2.gz HXKDXLMAYQBLQD-CPBWPMLKSA-N 1 3 309.498 2.519 20 0 DFADHO C[C@@H](CNC(=O)[C@H]1CCCN1C1CCCC1)C[NH+]1CCCCC1 ZINC000438568775 297098985 /nfs/dbraw/zinc/09/89/85/297098985.db2.gz QQOGSRDWWUAFDA-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438565166 297099109 /nfs/dbraw/zinc/09/91/09/297099109.db2.gz BTJJCDXAAYPDOG-JFIYKMOQSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438565166 297099111 /nfs/dbraw/zinc/09/91/11/297099111.db2.gz BTJJCDXAAYPDOG-JFIYKMOQSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000438565166 297099113 /nfs/dbraw/zinc/09/91/13/297099113.db2.gz BTJJCDXAAYPDOG-JFIYKMOQSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000438565166 297099115 /nfs/dbraw/zinc/09/91/15/297099115.db2.gz BTJJCDXAAYPDOG-JFIYKMOQSA-N 1 3 321.509 2.630 20 0 DFADHO CO[C@@H]1CCN(C[C@@H](C)C[N@@H+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000441373856 297181760 /nfs/dbraw/zinc/18/17/60/297181760.db2.gz CJOVXANROZFGMP-ZKXLYKBJSA-N 1 3 312.498 2.621 20 0 DFADHO CO[C@@H]1CCN(C[C@@H](C)C[N@H+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000441373856 297181763 /nfs/dbraw/zinc/18/17/63/297181763.db2.gz CJOVXANROZFGMP-ZKXLYKBJSA-N 1 3 312.498 2.621 20 0 DFADHO CO[C@@H]1CC[N@@H+](C[C@@H](C)CN2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000441373856 297181764 /nfs/dbraw/zinc/18/17/64/297181764.db2.gz CJOVXANROZFGMP-ZKXLYKBJSA-N 1 3 312.498 2.621 20 0 DFADHO CO[C@@H]1CC[N@H+](C[C@@H](C)CN2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000441373856 297181766 /nfs/dbraw/zinc/18/17/66/297181766.db2.gz CJOVXANROZFGMP-ZKXLYKBJSA-N 1 3 312.498 2.621 20 0 DFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2c(s1)CCC2 ZINC000442877005 297209228 /nfs/dbraw/zinc/20/92/28/297209228.db2.gz QLJLPXDDWVEUMU-AWEZNQCLSA-N 1 3 321.534 2.913 20 0 DFADHO [NH3+]CC[C@H]1CCCN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000442921765 297211323 /nfs/dbraw/zinc/21/13/23/297211323.db2.gz JRZMMWCJHMKTSA-GFCCVEGCSA-N 1 3 304.463 2.834 20 0 DFADHO CC(C)CNC(=O)c1cccc(CN2CCC[C@H](CC[NH3+])C2)c1 ZINC000443059919 297214001 /nfs/dbraw/zinc/21/40/01/297214001.db2.gz NYKGPKUAPYITMN-MRXNPFEDSA-N 1 3 317.477 2.633 20 0 DFADHO CCC[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccsc1 ZINC000443101711 297215815 /nfs/dbraw/zinc/21/58/15/297215815.db2.gz MRIARSIMKVSSFR-ZBFHGGJFSA-N 1 3 323.506 2.766 20 0 DFADHO c1nc2c(n1[C@@H]1CC[N@@H+](CCCN3CCCCC3)C1)CCCC2 ZINC000444630486 297242117 /nfs/dbraw/zinc/24/21/17/297242117.db2.gz OSAHLIHIPQLWDR-QGZVFWFLSA-N 1 3 316.493 2.885 20 0 DFADHO c1nc2c(n1[C@@H]1CC[N@H+](CCCN3CCCCC3)C1)CCCC2 ZINC000444630486 297242119 /nfs/dbraw/zinc/24/21/19/297242119.db2.gz OSAHLIHIPQLWDR-QGZVFWFLSA-N 1 3 316.493 2.885 20 0 DFADHO CC[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)NC1CCN(C2CC2)CC1 ZINC000444659196 297243784 /nfs/dbraw/zinc/24/37/84/297243784.db2.gz CNLTWHRKPNTWPT-CRAIPNDOSA-N 1 3 321.509 2.630 20 0 DFADHO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)NC1CCN(C2CC2)CC1 ZINC000444659196 297243785 /nfs/dbraw/zinc/24/37/85/297243785.db2.gz CNLTWHRKPNTWPT-CRAIPNDOSA-N 1 3 321.509 2.630 20 0 DFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccccc3C)CC2)CC1 ZINC000445528645 297262622 /nfs/dbraw/zinc/26/26/22/297262622.db2.gz NKNNFSOCCOCXTD-UHFFFAOYSA-N 1 3 315.505 2.987 20 0 DFADHO CCN1CCC([N@H+]2CCCN(Cc3ccccc3C)CC2)CC1 ZINC000445528645 297262624 /nfs/dbraw/zinc/26/26/24/297262624.db2.gz NKNNFSOCCOCXTD-UHFFFAOYSA-N 1 3 315.505 2.987 20 0 DFADHO Cn1cc(CNCC2CC[NH+](C3CC3)CC2)c(C(C)(C)C)n1 ZINC000446885913 297289665 /nfs/dbraw/zinc/28/96/65/297289665.db2.gz ZMOXIFXHWSIPQH-UHFFFAOYSA-N 1 3 304.482 2.682 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000447541606 297307492 /nfs/dbraw/zinc/30/74/92/297307492.db2.gz MOKFWKQCXJRIFX-MRXNPFEDSA-N 1 3 307.482 2.965 20 0 DFADHO CN1CCC(C[NH2+]C2CC3(CCC3)C2)(N2CCCCC2)CC1 ZINC000448069159 297331475 /nfs/dbraw/zinc/33/14/75/297331475.db2.gz ZLOYUPLLMFRFED-UHFFFAOYSA-N 1 3 305.510 2.859 20 0 DFADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449059946 297398490 /nfs/dbraw/zinc/39/84/90/297398490.db2.gz DJNSDFWICGNBJT-UHFFFAOYSA-N 1 3 306.450 2.915 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@](C)(CC)OC)CC1 ZINC000449479103 297476327 /nfs/dbraw/zinc/47/63/27/297476327.db2.gz UDMRZJQDKPJUCA-LJQANCHMSA-N 1 3 319.493 2.733 20 0 DFADHO C[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000245945975 298019657 /nfs/dbraw/zinc/01/96/57/298019657.db2.gz WQOLYSDJUSMTCE-XMTFNYHQSA-N 1 3 321.509 2.725 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453098884 298061737 /nfs/dbraw/zinc/06/17/37/298061737.db2.gz XJJXTUWKSXEQTA-IBGZPJMESA-N 1 3 307.526 2.963 20 0 DFADHO CN1CCN(CC[NH2+]C2CCc3ccccc3CC2)CC1(C)C ZINC000453224069 298073058 /nfs/dbraw/zinc/07/30/58/298073058.db2.gz TYCJIROVWJNSEU-UHFFFAOYSA-N 1 3 315.505 2.550 20 0 DFADHO CO[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000453268238 298079030 /nfs/dbraw/zinc/07/90/30/298079030.db2.gz NTTYWVTYVNWTJK-OKYOBFRVSA-N 1 3 302.462 2.707 20 0 DFADHO CO[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000453268238 298079032 /nfs/dbraw/zinc/07/90/32/298079032.db2.gz NTTYWVTYVNWTJK-OKYOBFRVSA-N 1 3 302.462 2.707 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000453298251 298081098 /nfs/dbraw/zinc/08/10/98/298081098.db2.gz SFLKYVHMBXSGFV-PBHICJAKSA-N 1 3 306.450 2.845 20 0 DFADHO O[C@H]1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453356089 298086345 /nfs/dbraw/zinc/08/63/45/298086345.db2.gz HTHVCVVTQHAAJC-ZRSRNVLSSA-N 1 3 300.446 2.543 20 0 DFADHO O[C@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453356089 298086348 /nfs/dbraw/zinc/08/63/48/298086348.db2.gz HTHVCVVTQHAAJC-ZRSRNVLSSA-N 1 3 300.446 2.543 20 0 DFADHO O[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000453389507 298089491 /nfs/dbraw/zinc/08/94/91/298089491.db2.gz RKDZAJIEBFIQOG-YSTOQKLRSA-N 1 3 314.473 2.933 20 0 DFADHO O[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000453389507 298089493 /nfs/dbraw/zinc/08/94/93/298089493.db2.gz RKDZAJIEBFIQOG-YSTOQKLRSA-N 1 3 314.473 2.933 20 0 DFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000454356697 298160941 /nfs/dbraw/zinc/16/09/41/298160941.db2.gz NPVPOXKMANRYOG-KRWDZBQOSA-N 1 3 318.465 2.695 20 0 DFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000454356697 298160943 /nfs/dbraw/zinc/16/09/43/298160943.db2.gz NPVPOXKMANRYOG-KRWDZBQOSA-N 1 3 318.465 2.695 20 0 DFADHO C[C@H](CC(=O)N(CCN(C)C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000237514214 298285186 /nfs/dbraw/zinc/28/51/86/298285186.db2.gz BEVGQHALLJLQPH-SJORKVTESA-N 1 3 317.477 2.607 20 0 DFADHO COC(=O)N1CCC[C@H]([C@H](C)N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000496283791 300040487 /nfs/dbraw/zinc/04/04/87/300040487.db2.gz MLLJBHHACJZDFK-CLROSIBMSA-N 1 3 317.433 2.588 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCOC2=O)c1 ZINC000496284983 300041118 /nfs/dbraw/zinc/04/11/18/300041118.db2.gz QDTJAOADEAKHND-AEGPPILISA-N 1 3 303.406 2.564 20 0 DFADHO COC(=O)Nc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000497106861 300162363 /nfs/dbraw/zinc/16/23/63/300162363.db2.gz MBWZURQKKKTZLL-GDBMZVCRSA-N 1 3 305.422 2.515 20 0 DFADHO CC[C@@H](NC[C@@H](C)C[NH2+]C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497144233 300168643 /nfs/dbraw/zinc/16/86/43/300168643.db2.gz IYYLDQQULIHXOU-RRFJBIMHSA-N 1 3 313.486 2.610 20 0 DFADHO CC[C@H](NC[C@H](C)C[NH2+]C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497144226 300168781 /nfs/dbraw/zinc/16/87/81/300168781.db2.gz IYYLDQQULIHXOU-QLFBSQMISA-N 1 3 313.486 2.610 20 0 DFADHO c1ccc2c(c1)CC[C@@H](NC1CC[NH+](CC3CC3)CC1)CO2 ZINC000511019527 300247871 /nfs/dbraw/zinc/24/78/71/300247871.db2.gz TWUAHVBXIBMVQP-GOSISDBHSA-N 1 3 300.446 2.844 20 0 DFADHO C[C@H](NCCc1nc2ccccc2n1C(F)F)[C@H]1CCC[NH2+]C1 ZINC000514667615 300265554 /nfs/dbraw/zinc/26/55/54/300265554.db2.gz AITUUPRQHRTBNH-STQMWFEESA-N 1 3 322.403 2.952 20 0 DFADHO CCN(CC)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000515413256 300305428 /nfs/dbraw/zinc/30/54/28/300305428.db2.gz QOAXOKUHKCRNSP-RLLQIKCJSA-N 1 3 317.521 2.917 20 0 DFADHO COc1cc(F)c(CNC2CCC([NH+](C)C)CC2)cc1OC ZINC000516301662 300339409 /nfs/dbraw/zinc/33/94/09/300339409.db2.gz OKMLNOGMSWBZBZ-UHFFFAOYSA-N 1 3 310.413 2.805 20 0 DFADHO CC(C)CN1CCC([NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000516562974 300348745 /nfs/dbraw/zinc/34/87/45/300348745.db2.gz LFOMMNXEKOGMFK-QFBILLFUSA-N 1 3 304.478 2.861 20 0 DFADHO CC1CCN(c2ccc(CN[C@H]3CCC[C@@H]([NH3+])C3)cn2)CC1 ZINC000519613789 300463198 /nfs/dbraw/zinc/46/31/98/300463198.db2.gz NDTGYGSAISFFPW-SJORKVTESA-N 1 3 302.466 2.677 20 0 DFADHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@@H]1CC12CC2 ZINC000527872010 300704663 /nfs/dbraw/zinc/70/46/63/300704663.db2.gz WIZCBSAGBZOVEH-SJORKVTESA-N 1 3 305.510 2.715 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H]1CCN1C1CCCC1)[NH+]1CCCCC1 ZINC000530023203 301005204 /nfs/dbraw/zinc/00/52/04/301005204.db2.gz CSZZAZBQRKNRPZ-QZTJIDSGSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(OCCN(C)C)cc1 ZINC000530217034 301030382 /nfs/dbraw/zinc/03/03/82/301030382.db2.gz FKWAADONCAGAAL-QAPCUYQASA-N 1 3 317.477 2.562 20 0 DFADHO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(OCCN(C)C)cc1 ZINC000530217031 301030529 /nfs/dbraw/zinc/03/05/29/301030529.db2.gz FKWAADONCAGAAL-CRAIPNDOSA-N 1 3 317.477 2.562 20 0 DFADHO Cc1cc(F)ccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248301 301033821 /nfs/dbraw/zinc/03/38/21/301033821.db2.gz IMDLNMRNDFARBR-GOSISDBHSA-N 1 3 306.425 2.725 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc2c(c1)OCCNC2 ZINC000530247483 301033846 /nfs/dbraw/zinc/03/38/46/301033846.db2.gz UVVZXITZJFBTAQ-GDBMZVCRSA-N 1 3 303.450 2.891 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000530272198 301037781 /nfs/dbraw/zinc/03/77/81/301037781.db2.gz GKAIWHVDZGJSTO-SJLPKXTDSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000530272198 301037783 /nfs/dbraw/zinc/03/77/83/301037783.db2.gz GKAIWHVDZGJSTO-SJLPKXTDSA-N 1 3 321.509 2.774 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531728389 301106725 /nfs/dbraw/zinc/10/67/25/301106725.db2.gz FUBMZUFXJFGNQG-JKSUJKDBSA-N 1 3 317.477 2.898 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)NCC[N@H+]1CC[C@H](C)C1 ZINC000531728389 301106727 /nfs/dbraw/zinc/10/67/27/301106727.db2.gz FUBMZUFXJFGNQG-JKSUJKDBSA-N 1 3 317.477 2.898 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000531946426 301120338 /nfs/dbraw/zinc/12/03/38/301120338.db2.gz PDZVHUITDYJBED-IRXDYDNUSA-N 1 3 319.493 2.680 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000532239082 301139076 /nfs/dbraw/zinc/13/90/76/301139076.db2.gz MCLHNCGXBYFDRY-CVEARBPZSA-N 1 3 303.450 2.644 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000532239082 301139078 /nfs/dbraw/zinc/13/90/78/301139078.db2.gz MCLHNCGXBYFDRY-CVEARBPZSA-N 1 3 303.450 2.644 20 0 DFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532549628 301159295 /nfs/dbraw/zinc/15/92/95/301159295.db2.gz FURGPYFEGMCBCW-CEUNDQEZSA-N 1 3 308.388 2.685 20 0 DFADHO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC1(O)CCN(C)CC1)CCCO2 ZINC000269069435 301209454 /nfs/dbraw/zinc/20/94/54/301209454.db2.gz WOVQOBWPYPMLCI-KRWDZBQOSA-N 1 3 318.461 2.563 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000534261964 301222351 /nfs/dbraw/zinc/22/23/51/301222351.db2.gz VQNYOXXOXAMBII-GOSISDBHSA-N 1 3 321.896 2.945 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000537607187 301305583 /nfs/dbraw/zinc/30/55/83/301305583.db2.gz SBTPGXKQEBACME-FUHWJXTLSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000537607187 301305585 /nfs/dbraw/zinc/30/55/85/301305585.db2.gz SBTPGXKQEBACME-FUHWJXTLSA-N 1 3 321.509 2.584 20 0 DFADHO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000539072682 301337760 /nfs/dbraw/zinc/33/77/60/301337760.db2.gz ZWYHSCVEXNSNGO-FUHWJXTLSA-N 1 3 317.477 2.646 20 0 DFADHO CC(C)[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CC1 ZINC000540988413 301380200 /nfs/dbraw/zinc/38/02/00/301380200.db2.gz LFIBUVNANQZTAP-MOPGFXCFSA-N 1 3 302.462 2.777 20 0 DFADHO CC(C)[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)cn1 ZINC000541849722 301398836 /nfs/dbraw/zinc/39/88/36/301398836.db2.gz HQXFDTWMFBIDGC-GOSISDBHSA-N 1 3 322.472 2.535 20 0 DFADHO CC[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000552065325 301679178 /nfs/dbraw/zinc/67/91/78/301679178.db2.gz QXUACSYDKDWIEE-IAGOWNOFSA-N 1 3 309.498 2.537 20 0 DFADHO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000552279555 301688648 /nfs/dbraw/zinc/68/86/48/301688648.db2.gz RYNLGUWEHINCET-MSOLQXFVSA-N 1 3 321.509 2.561 20 0 DFADHO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000560344123 301890531 /nfs/dbraw/zinc/89/05/31/301890531.db2.gz HHCCYYHAZDYLPU-OAHLLOKOSA-N 1 3 319.493 2.892 20 0 DFADHO CCc1ccccc1[C@H](N)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000560966704 301918836 /nfs/dbraw/zinc/91/88/36/301918836.db2.gz LDRBDCRSXVJYLW-WJFTUGDTSA-N 1 3 301.478 2.759 20 0 DFADHO CC[NH+]1CCC(NCCC(=O)Nc2cccc(F)c2C)CC1 ZINC000562985208 302021389 /nfs/dbraw/zinc/02/13/89/302021389.db2.gz JPZJXVZNMDVMHG-UHFFFAOYSA-N 1 3 307.413 2.537 20 0 DFADHO C[C@@H](CN[C@@H]1CCC[NH2+]CC1)c1nc(-c2ccccc2)no1 ZINC000563804425 302099358 /nfs/dbraw/zinc/09/93/58/302099358.db2.gz FWSJJKLFJQJIFZ-DZGCQCFKSA-N 1 3 300.406 2.572 20 0 DFADHO c1c(CN[C@@H]2CCCC23CCOCC3)onc1C1CC[NH2+]CC1 ZINC000564320491 302128458 /nfs/dbraw/zinc/12/84/58/302128458.db2.gz PNAQSRHPSKURMZ-QGZVFWFLSA-N 1 3 319.449 2.581 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC[C@](C)(O)C(F)(F)F)c1 ZINC000564845050 302163138 /nfs/dbraw/zinc/16/31/38/302163138.db2.gz PINFVRAUYWLTNR-HNNXBMFYSA-N 1 3 318.383 2.931 20 0 DFADHO CC(C)[NH+](CCCNC(=O)[C@H](C)[C@H](N)c1ccccc1)C(C)C ZINC000564924696 302173798 /nfs/dbraw/zinc/17/37/98/302173798.db2.gz NYINMWYERLXTHC-AEFFLSMTSA-N 1 3 319.493 2.948 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CNCc2ccccc21 ZINC000564982949 302179162 /nfs/dbraw/zinc/17/91/62/302179162.db2.gz DKYYUKWKBHTXIM-KRWDZBQOSA-N 1 3 309.413 2.622 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C2CC(N(C)C)C2)CCN1Cc1ccccc1 ZINC000565218803 302208709 /nfs/dbraw/zinc/20/87/09/302208709.db2.gz PCKPQNRBTDVMCO-BJMVHTGZSA-N 1 3 301.478 2.722 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000565225617 302210419 /nfs/dbraw/zinc/21/04/19/302210419.db2.gz GHZFJYGLACTDMF-KGLIPLIRSA-N 1 3 320.824 2.792 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)[C@H]2CNCc3ccccc32)c1 ZINC000565717467 302239181 /nfs/dbraw/zinc/23/91/81/302239181.db2.gz ZZKLWQFMIAEUEN-SFHVURJKSA-N 1 3 309.413 2.622 20 0 DFADHO N[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000566089239 302258345 /nfs/dbraw/zinc/25/83/45/302258345.db2.gz JDKWKPQNLBPMQL-VQTJNVASSA-N 1 3 322.456 2.780 20 0 DFADHO [NH3+][C@H]1C[C@@H](NC2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000566089239 302258347 /nfs/dbraw/zinc/25/83/47/302258347.db2.gz JDKWKPQNLBPMQL-VQTJNVASSA-N 1 3 322.456 2.780 20 0 DFADHO O=C(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)NC1CCCCC1 ZINC000566089598 302258544 /nfs/dbraw/zinc/25/85/44/302258544.db2.gz VNWBWSQBECOQQW-FGTMMUONSA-N 1 3 321.509 2.726 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)C[C@H](C)O1 ZINC000567336022 302350785 /nfs/dbraw/zinc/35/07/85/302350785.db2.gz FODUGXQHZNLXOS-SCAQPMJSSA-N 1 3 303.450 2.844 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000567642517 302375853 /nfs/dbraw/zinc/37/58/53/302375853.db2.gz OHGBHOHOUDIXHW-COXVUDFISA-N 1 3 309.885 2.920 20 0 DFADHO CCn1nc(C)c(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)c1C ZINC000567647643 302376149 /nfs/dbraw/zinc/37/61/49/302376149.db2.gz CQDXFVHIEJKLCI-UGSOOPFHSA-N 1 3 300.450 2.568 20 0 DFADHO CC(=O)N1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2N)c2ccccc21 ZINC000567648427 302376387 /nfs/dbraw/zinc/37/63/87/302376387.db2.gz QGCHHVPNEQLIEL-ULQDDVLXSA-N 1 3 301.434 2.734 20 0 DFADHO CN(C)Cc1ccccc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000572309687 302654647 /nfs/dbraw/zinc/65/46/47/302654647.db2.gz CCMPNYPAZUDZJE-UHFFFAOYSA-N 1 3 317.477 2.552 20 0 DFADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)C1CCCCC1 ZINC000572356357 302657207 /nfs/dbraw/zinc/65/72/07/302657207.db2.gz HBWSIKKGCGQVLG-GOSISDBHSA-N 1 3 320.477 2.658 20 0 DFADHO Cc1ncc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(C)n1 ZINC000358032943 302703480 /nfs/dbraw/zinc/70/34/80/302703480.db2.gz DSGBYCPFGMZWMV-KFWWJZLASA-N 1 3 320.481 2.633 20 0 DFADHO CCCC[N@H+](C)CC1CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000185193334 316182582 /nfs/dbraw/zinc/18/25/82/316182582.db2.gz MZLALYSFGVPXHO-GOSISDBHSA-N 1 3 312.498 2.974 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000185193334 316182585 /nfs/dbraw/zinc/18/25/85/316182585.db2.gz MZLALYSFGVPXHO-GOSISDBHSA-N 1 3 312.498 2.974 20 0 DFADHO C[C@@H](NCCC(=O)NC1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749771 316191640 /nfs/dbraw/zinc/19/16/40/316191640.db2.gz HEKGKQKZRAETCX-CVEARBPZSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@@H](NCCC(=O)NC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749771 316191645 /nfs/dbraw/zinc/19/16/45/316191645.db2.gz HEKGKQKZRAETCX-CVEARBPZSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@@H]([NH2+]CCC(=O)NC1CCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000185749771 316191650 /nfs/dbraw/zinc/19/16/50/316191650.db2.gz HEKGKQKZRAETCX-CVEARBPZSA-N 1 3 321.509 2.678 20 0 DFADHO COc1cc2c(cc1CN1CCC[C@H](CC[NH3+])C1)O[C@@H](C)C2 ZINC000317068391 316246912 /nfs/dbraw/zinc/24/69/12/316246912.db2.gz ZJTOESVPZZCNPJ-UONOGXRCSA-N 1 3 304.434 2.579 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2ccccc2OC)N(C)C)[C@@H](C)C1 ZINC000345248266 316316675 /nfs/dbraw/zinc/31/66/75/316316675.db2.gz KDYHZYBPYHDWBQ-SZMVWBNQSA-N 1 3 319.493 2.618 20 0 DFADHO COC[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C1CCCC1 ZINC000446740823 317021266 /nfs/dbraw/zinc/02/12/66/317021266.db2.gz HSKIRWYFYHKDEK-IBGZPJMESA-N 1 3 320.477 2.922 20 0 DFADHO CN(CCN1CCC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000450264197 317077806 /nfs/dbraw/zinc/07/78/06/317077806.db2.gz FFJFUCWOBTWZGB-LJQANCHMSA-N 1 3 301.478 2.679 20 0 DFADHO CN(CCN1CCC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000450264196 317077904 /nfs/dbraw/zinc/07/79/04/317077904.db2.gz FFJFUCWOBTWZGB-IBGZPJMESA-N 1 3 301.478 2.679 20 0 DFADHO CCCc1ccc2nccc(N3CCO[C@@H](C[NH+](C)C)C3)c2c1 ZINC000450322678 317083107 /nfs/dbraw/zinc/08/31/07/317083107.db2.gz ZWUFZPJNYCXMLP-INIZCTEOSA-N 1 3 313.445 2.954 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453200009 317168034 /nfs/dbraw/zinc/16/80/34/317168034.db2.gz UDHFERSWYVFDIH-PMACEKPBSA-N 1 3 314.473 2.922 20 0 DFADHO Cc1ccccc1-n1cc(CNCCCC[N@@H+](C)C2CC2)nn1 ZINC000453592451 317192182 /nfs/dbraw/zinc/19/21/82/317192182.db2.gz FFPFBQSFHCNDCO-UHFFFAOYSA-N 1 3 313.449 2.540 20 0 DFADHO Cc1ccccc1-n1cc(CNCCCC[N@H+](C)C2CC2)nn1 ZINC000453592451 317192186 /nfs/dbraw/zinc/19/21/86/317192186.db2.gz FFPFBQSFHCNDCO-UHFFFAOYSA-N 1 3 313.449 2.540 20 0 DFADHO C[NH+](C)CCOC1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488334406 317384567 /nfs/dbraw/zinc/38/45/67/317384567.db2.gz FFJXKCJNARDAOP-UHFFFAOYSA-N 1 3 319.424 2.850 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488411491 317390957 /nfs/dbraw/zinc/39/09/57/317390957.db2.gz AIPXHMNPSOIEPT-JKSUJKDBSA-N 1 3 313.555 2.522 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC000572066960 318000434 /nfs/dbraw/zinc/00/04/34/318000434.db2.gz JJWRWQQOEVOYQB-IAGOWNOFSA-N 1 3 323.525 2.593 20 0 DFADHO CC(C)C[N@@H+]1CC[C@@H](CNCCC(=O)Nc2ccccc2)C1 ZINC000572751414 318002398 /nfs/dbraw/zinc/00/23/98/318002398.db2.gz HFUZMACKYZROSV-INIZCTEOSA-N 1 3 303.450 2.583 20 0 DFADHO CC(C)C[N@H+]1CC[C@@H](CNCCC(=O)Nc2ccccc2)C1 ZINC000572751414 318002399 /nfs/dbraw/zinc/00/23/99/318002399.db2.gz HFUZMACKYZROSV-INIZCTEOSA-N 1 3 303.450 2.583 20 0 DFADHO c1cn(Cc2ccccc2C[NH2+]C2CCN(CC3CC3)CC2)cn1 ZINC000574846894 318044059 /nfs/dbraw/zinc/04/40/59/318044059.db2.gz VDBACPQDIRSFFE-UHFFFAOYSA-N 1 3 324.472 2.895 20 0 DFADHO CCc1noc(C2CCC([NH2+]C[C@H]3CCN(C(C)C)C3)CC2)n1 ZINC000574944501 318052120 /nfs/dbraw/zinc/05/21/20/318052120.db2.gz RHGLLJXYUIXLCO-QQFBHYJXSA-N 1 3 320.481 2.978 20 0 DFADHO CCCCNC(=O)c1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000575002460 318056832 /nfs/dbraw/zinc/05/68/32/318056832.db2.gz LIBLQMGWGXNYHO-IAGOWNOFSA-N 1 3 303.450 2.576 20 0 DFADHO C[C@H](C[NH2+]Cc1ccncc1OCCN(C)C)c1ccccc1 ZINC000575837733 318086366 /nfs/dbraw/zinc/08/63/66/318086366.db2.gz LWRLFNHENMXFLF-MRXNPFEDSA-N 1 3 313.445 2.915 20 0 DFADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000575861596 318088082 /nfs/dbraw/zinc/08/80/82/318088082.db2.gz BYAJYVMIEGDXAY-RCCFBDPRSA-N 1 3 320.477 2.506 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000576292759 318117027 /nfs/dbraw/zinc/11/70/27/318117027.db2.gz YPJJHTAHDYSGFW-OLZOCXBDSA-N 1 3 302.340 2.944 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000576338014 318119277 /nfs/dbraw/zinc/11/92/77/318119277.db2.gz APPANHCVPIJCPL-OCCSQVGLSA-N 1 3 320.824 2.650 20 0 DFADHO CN(C)CCOc1cccc(C[NH2+]C[C@H](O)C2CCCCC2)c1 ZINC000576749508 318147478 /nfs/dbraw/zinc/14/74/78/318147478.db2.gz QRHKUAPNUZZUED-IBGZPJMESA-N 1 3 320.477 2.658 20 0 DFADHO Cc1ccccc1OC[C@@H](O)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC000577276116 318182450 /nfs/dbraw/zinc/18/24/50/318182450.db2.gz RMCDFJAFRKZNFP-ROUUACIJSA-N 1 3 320.477 2.589 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000577364547 318187888 /nfs/dbraw/zinc/18/78/88/318187888.db2.gz JJMVQMJVUOFRMD-QGZVFWFLSA-N 1 3 316.449 2.676 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000577364547 318187889 /nfs/dbraw/zinc/18/78/89/318187889.db2.gz JJMVQMJVUOFRMD-QGZVFWFLSA-N 1 3 316.449 2.676 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2c(c1)CNCC2 ZINC000577951722 318227912 /nfs/dbraw/zinc/22/79/12/318227912.db2.gz MUGCWWJTJXIIMB-KRWDZBQOSA-N 1 3 301.434 2.535 20 0 DFADHO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2c(c1)CNCC2 ZINC000577951722 318227914 /nfs/dbraw/zinc/22/79/14/318227914.db2.gz MUGCWWJTJXIIMB-KRWDZBQOSA-N 1 3 301.434 2.535 20 0 DFADHO CCn1c2ccccc2nc1CNC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000577995878 318231020 /nfs/dbraw/zinc/23/10/20/318231020.db2.gz NLMKQCDAWNNWHV-SHTZXODSSA-N 1 3 300.450 2.911 20 0 DFADHO Cc1cccc(CC[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000578234269 318247441 /nfs/dbraw/zinc/24/74/41/318247441.db2.gz SJFCIWIEIBAHMP-BGYRXZFFSA-N 1 3 321.468 2.996 20 0 DFADHO Cc1cccc(CC[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000578234269 318247444 /nfs/dbraw/zinc/24/74/44/318247444.db2.gz SJFCIWIEIBAHMP-BGYRXZFFSA-N 1 3 321.468 2.996 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1cncc(Br)c1 ZINC000578523657 318267150 /nfs/dbraw/zinc/26/71/50/318267150.db2.gz KKFDINKARDKPEK-GHMZBOCLSA-N 1 3 300.244 2.835 20 0 DFADHO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000578832260 318287553 /nfs/dbraw/zinc/28/75/53/318287553.db2.gz JSXIIOQWNXFGLT-BRIYLRKRSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCCN1CCC(C)CC1 ZINC000578846941 318289036 /nfs/dbraw/zinc/28/90/36/318289036.db2.gz OOYNWKNLPUAFSB-MJGOQNOKSA-N 1 3 304.478 2.863 20 0 DFADHO NC[C@H]([NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000578858303 318290316 /nfs/dbraw/zinc/29/03/16/318290316.db2.gz IABLDBMDVVYPKV-QRVBRYPASA-N 1 3 301.478 2.977 20 0 DFADHO CCN1CCN(Cc2ccc(N[C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000579005297 318301500 /nfs/dbraw/zinc/30/15/00/318301500.db2.gz UNKBAXQVWGTJHG-MJGOQNOKSA-N 1 3 316.493 2.506 20 0 DFADHO CN1CCN(CCCC[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000579340888 318323561 /nfs/dbraw/zinc/32/35/61/318323561.db2.gz VPHFUYHPQFWJLG-UHFFFAOYSA-N 1 3 301.478 2.681 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCN(C(C)C)C2)C[C@@H]1C ZINC000579577880 318339830 /nfs/dbraw/zinc/33/98/30/318339830.db2.gz PSIWQQZCUDIDHW-VVLHAWIVSA-N 1 3 310.482 2.674 20 0 DFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@H](c1ccccc1)c1ccncn1 ZINC000579825555 318356704 /nfs/dbraw/zinc/35/67/04/318356704.db2.gz NSVOBBXVDGSAAO-CTXUPJPISA-N 1 3 308.429 2.672 20 0 DFADHO C[C@H]1CCN(CC[NH2+]C(C)(C)C)CCN1Cc1ccccc1 ZINC000382735028 323302227 /nfs/dbraw/zinc/30/22/27/323302227.db2.gz GWRFPXPVGILFCY-KRWDZBQOSA-N 1 3 303.494 2.971 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000382767252 323302614 /nfs/dbraw/zinc/30/26/14/323302614.db2.gz WUAKCCQSVFFONR-ROUUACIJSA-N 1 3 301.478 2.582 20 0 DFADHO C[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000386573008 323319635 /nfs/dbraw/zinc/31/96/35/323319635.db2.gz MHHPGCXAJBCADQ-UHOSZYNNSA-N 1 3 301.478 2.771 20 0 DFADHO C[NH2+]CCC1CCN(Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000391428366 323346139 /nfs/dbraw/zinc/34/61/39/323346139.db2.gz ASBSDTFZRIQITR-CQSZACIVSA-N 1 3 318.461 2.840 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCN(C)C1 ZINC000398200965 323357034 /nfs/dbraw/zinc/35/70/34/323357034.db2.gz PMVXEASPAIHDRF-HOJAQTOUSA-N 1 3 315.505 2.828 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C[C@H](C)O1 ZINC000580281089 323362576 /nfs/dbraw/zinc/36/25/76/323362576.db2.gz IGVSYUANFHVQIW-QLPKVWCKSA-N 1 3 306.450 2.673 20 0 DFADHO c1ccc([C@@H]2OCC[C@H]2NCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000581078205 323473074 /nfs/dbraw/zinc/47/30/74/323473074.db2.gz ZFWRAYNOUQVYBW-UXHICEINSA-N 1 3 308.425 2.952 20 0 DFADHO CN1CCN(CCCC[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000581649320 323553898 /nfs/dbraw/zinc/55/38/98/323553898.db2.gz WNFKAFYPCXJAOI-UHFFFAOYSA-N 1 3 315.505 2.551 20 0 DFADHO C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000583561932 323878387 /nfs/dbraw/zinc/87/83/87/323878387.db2.gz UHRAHNBIYMLBEJ-LJQANCHMSA-N 1 3 323.440 2.616 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cc(F)ccc1F ZINC000165944515 517708842 /nfs/dbraw/zinc/70/88/42/517708842.db2.gz UFGYQDRLLTUIRG-JSGCOSHPSA-N 1 3 300.393 2.972 20 0 DFADHO C(C[NH2+]C1CCN(C2CCCCC2)CC1)COC[C@@H]1CCCO1 ZINC000163462205 518392326 /nfs/dbraw/zinc/39/23/26/518392326.db2.gz QUMRODQCMVTIJL-IBGZPJMESA-N 1 3 324.509 2.959 20 0 DFADHO C(CNC1CC[NH+](C2CCCCC2)CC1)COC[C@@H]1CCCO1 ZINC000163462205 518392329 /nfs/dbraw/zinc/39/23/29/518392329.db2.gz QUMRODQCMVTIJL-IBGZPJMESA-N 1 3 324.509 2.959 20 0 DFADHO O[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000298156902 534427995 /nfs/dbraw/zinc/42/79/95/534427995.db2.gz SBNBGXHCSQYHLX-GOSISDBHSA-N 1 3 315.392 2.513 20 0 DFADHO CN(C)[C@@H](CNC(=O)C[N@H+](C)CC1CCCC1)c1ccccc1 ZINC000158050788 522011837 /nfs/dbraw/zinc/01/18/37/522011837.db2.gz JXJBGGRNQPQZEU-SFHVURJKSA-N 1 3 317.477 2.528 20 0 DFADHO CN(C)[C@@H](CNC(=O)C[N@@H+](C)CC1CCCC1)c1ccccc1 ZINC000158050788 522011846 /nfs/dbraw/zinc/01/18/46/522011846.db2.gz JXJBGGRNQPQZEU-SFHVURJKSA-N 1 3 317.477 2.528 20 0 DFADHO CC[C@H](C)NC(=O)CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000156497939 523967378 /nfs/dbraw/zinc/96/73/78/523967378.db2.gz SXSYPLBUXBUPMT-HNNXBMFYSA-N 1 3 309.498 2.678 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cc(N(C)C)nc2ccccc12 ZINC000154467348 524900546 /nfs/dbraw/zinc/90/05/46/524900546.db2.gz IROBPROVBZZVTM-PBHICJAKSA-N 1 3 312.461 2.731 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cc(N(C)C)nc2ccccc12 ZINC000154467348 524900557 /nfs/dbraw/zinc/90/05/57/524900557.db2.gz IROBPROVBZZVTM-PBHICJAKSA-N 1 3 312.461 2.731 20 0 DFADHO Cc1ccsc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000354025402 525846031 /nfs/dbraw/zinc/84/60/31/525846031.db2.gz CYQYTDLPOZCZBW-JKSUJKDBSA-N 1 3 307.507 2.514 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000294903909 528554080 /nfs/dbraw/zinc/55/40/80/528554080.db2.gz ZMLIPWGZKFALNM-NVXWUHKLSA-N 1 3 305.466 2.574 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000294997704 528557758 /nfs/dbraw/zinc/55/77/58/528557758.db2.gz IBLCWWLJNOXMLC-NUJGCVRESA-N 1 3 317.477 2.544 20 0 DFADHO CCCC[C@H](N)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309749466 528969868 /nfs/dbraw/zinc/96/98/68/528969868.db2.gz YZHMLDBARHFWCA-SZMVWBNQSA-N 1 3 317.477 2.531 20 0 DFADHO CCCC[C@H](N)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309749466 528969872 /nfs/dbraw/zinc/96/98/72/528969872.db2.gz YZHMLDBARHFWCA-SZMVWBNQSA-N 1 3 317.477 2.531 20 0 DFADHO CCCC[C@H](N)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309749464 528970859 /nfs/dbraw/zinc/97/08/59/528970859.db2.gz YZHMLDBARHFWCA-NJAFHUGGSA-N 1 3 317.477 2.531 20 0 DFADHO CCCC[C@H](N)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309749464 528970864 /nfs/dbraw/zinc/97/08/64/528970864.db2.gz YZHMLDBARHFWCA-NJAFHUGGSA-N 1 3 317.477 2.531 20 0 DFADHO CC1(C)CCC[C@]1(O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297430024 529000961 /nfs/dbraw/zinc/00/09/61/529000961.db2.gz NDOWICTUWIASGM-SFHVURJKSA-N 1 3 303.450 2.581 20 0 DFADHO CCCC[C@H](N)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000236816096 535044467 /nfs/dbraw/zinc/04/44/67/535044467.db2.gz PTDKKBXFXMRWIR-KRWDZBQOSA-N 1 3 305.466 2.662 20 0 DFADHO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000261698628 535373003 /nfs/dbraw/zinc/37/30/03/535373003.db2.gz JQQWJRDDINMQHZ-OKZBNKHCSA-N 1 3 321.509 2.534 20 0 DFADHO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000261698626 535373025 /nfs/dbraw/zinc/37/30/25/535373025.db2.gz JQQWJRDDINMQHZ-KZNAEPCWSA-N 1 3 321.509 2.534 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cccc3c2NCC3)C1 ZINC000261760703 535550844 /nfs/dbraw/zinc/55/08/44/535550844.db2.gz CXEZBDGYANLDNC-SFHVURJKSA-N 1 3 317.477 2.587 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000261927220 535611238 /nfs/dbraw/zinc/61/12/38/535611238.db2.gz SJHGKIYMYCSAQZ-CRAIPNDOSA-N 1 3 317.477 2.533 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccsc1 ZINC000236882657 535675355 /nfs/dbraw/zinc/67/53/55/535675355.db2.gz DCFKCTBMTBIKIS-NVXWUHKLSA-N 1 3 323.506 2.779 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000358012205 535936509 /nfs/dbraw/zinc/93/65/09/535936509.db2.gz HDARLASBVKAQJM-CWRNSKLLSA-N 1 3 304.434 2.839 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000358012205 535936514 /nfs/dbraw/zinc/93/65/14/535936514.db2.gz HDARLASBVKAQJM-CWRNSKLLSA-N 1 3 304.434 2.839 20 0 DFADHO CN(C)Cc1ccsc1-c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261921115 536052005 /nfs/dbraw/zinc/05/20/05/536052005.db2.gz BPEKPDQBUVTLGH-UHFFFAOYSA-N 1 3 314.414 2.985 20 0 DFADHO Cc1ccc2nccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000680623042 545520665 /nfs/dbraw/zinc/52/06/65/545520665.db2.gz GOMGSUAJWWEZFU-MRXNPFEDSA-N 1 3 311.429 2.630 20 0 DFADHO OCC[NH+]1CCC(NCc2ccc(-c3cccs3)cc2)CC1 ZINC000683519278 546049963 /nfs/dbraw/zinc/04/99/63/546049963.db2.gz NUUCRYSNSYWVEK-UHFFFAOYSA-N 1 3 316.470 2.961 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc3cnccc3c2)CC1 ZINC000683770921 546091863 /nfs/dbraw/zinc/09/18/63/546091863.db2.gz FURYBTJZUFTGDA-UHFFFAOYSA-N 1 3 313.445 2.560 20 0 DFADHO COCCC1([NH2+]Cc2ccc(OCCN(C)C)cc2)CCC1 ZINC000684424305 546215708 /nfs/dbraw/zinc/21/57/08/546215708.db2.gz HZQKGEAYDQRDNI-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000685043084 546322985 /nfs/dbraw/zinc/32/29/85/546322985.db2.gz JOERRLUHJAUUST-ROUUACIJSA-N 1 3 306.450 2.674 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@H]2CCOc3ccccc32)C1 ZINC000685471118 546357729 /nfs/dbraw/zinc/35/77/29/546357729.db2.gz NCIFZMROXMLMNM-SOLBZPMBSA-N 1 3 300.446 2.969 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@H]2CCOc3ccccc32)C1 ZINC000685471118 546357731 /nfs/dbraw/zinc/35/77/31/546357731.db2.gz NCIFZMROXMLMNM-SOLBZPMBSA-N 1 3 300.446 2.969 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)Cc1ccccc1C1CC1 ZINC000685475861 546358917 /nfs/dbraw/zinc/35/89/17/546358917.db2.gz UFHWDIRWWARWBT-UHFFFAOYSA-N 1 3 303.494 2.879 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)Cc1ccccc1C1CC1 ZINC000685475861 546358918 /nfs/dbraw/zinc/35/89/18/546358918.db2.gz UFHWDIRWWARWBT-UHFFFAOYSA-N 1 3 303.494 2.879 20 0 DFADHO COc1ccc(OC)c(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000278461661 214168677 /nfs/dbraw/zinc/16/86/77/214168677.db2.gz FDFMWZKKKJLPIZ-UHFFFAOYSA-N 1 3 304.434 2.668 20 0 DFADHO COc1cc2[nH+]ccc(N3CCN(C(C)C)CC3)c2cc1OC ZINC000413039016 295670558 /nfs/dbraw/zinc/67/05/58/295670558.db2.gz HGYARZVAFBAKLD-UHFFFAOYSA-N 1 3 315.417 2.782 20 0 DFADHO CC[NH+]1CCC(CCN[C@@H](C)c2cc(C(=O)OC)co2)CC1 ZINC000278664854 214310642 /nfs/dbraw/zinc/31/06/42/214310642.db2.gz IWOXPWPCTCXJEH-ZDUSSCGKSA-N 1 3 308.422 2.839 20 0 DFADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(N2CCOC2=O)cc1 ZINC000181296653 199278223 /nfs/dbraw/zinc/27/82/23/199278223.db2.gz FVJIYMIMZZVPIQ-GDBMZVCRSA-N 1 3 317.433 2.778 20 0 DFADHO C[C@H]1CCN(CCCc2nc(-c3cccs3)no2)C[C@H]1C[NH3+] ZINC000318004468 231166381 /nfs/dbraw/zinc/16/63/81/231166381.db2.gz GWIWZSAYEDEGOT-QWHCGFSZSA-N 1 3 320.462 2.647 20 0 DFADHO Cc1cc(C)n(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)n1 ZINC000318487781 231169980 /nfs/dbraw/zinc/16/99/80/231169980.db2.gz ROCAYGCNXKYRRW-KZNAEPCWSA-N 1 3 304.482 2.790 20 0 DFADHO Cc1nccn1[C@H]1CCCN([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906433 398349128 /nfs/dbraw/zinc/34/91/28/398349128.db2.gz OFYKQWSGQXNCAV-WBVHZDCISA-N 1 3 318.465 2.620 20 0 DFADHO Cc1nccn1[C@@H]1CCCN([C@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905707 398347935 /nfs/dbraw/zinc/34/79/35/398347935.db2.gz GXUUTXHFZXLTKB-NVXWUHKLSA-N 1 3 320.481 2.862 20 0 DFADHO CS[C@@H]1CN(c2nccc3[nH]ccc32)C[C@@H]1[NH+]1CCCC1 ZINC000596195878 398354255 /nfs/dbraw/zinc/35/42/55/398354255.db2.gz PIKZRAVIKLHQGJ-LSDHHAIUSA-N 1 3 302.447 2.579 20 0 DFADHO CC(C)C[C@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000236652445 398362811 /nfs/dbraw/zinc/36/28/11/398362811.db2.gz GYZOALGXEDMZMG-AEFFLSMTSA-N 1 3 323.525 2.863 20 0 DFADHO CC(C)C[C@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000236652445 398362813 /nfs/dbraw/zinc/36/28/13/398362813.db2.gz GYZOALGXEDMZMG-AEFFLSMTSA-N 1 3 323.525 2.863 20 0 DFADHO C[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)N1CCC(C)CC1 ZINC000236723348 398363632 /nfs/dbraw/zinc/36/36/32/398363632.db2.gz NKRLYOJUQXHWRD-AEFFLSMTSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CNC2CC2)cc1 ZINC000237351035 398369924 /nfs/dbraw/zinc/36/99/24/398369924.db2.gz VJLRIFKBZBXSSM-CQSZACIVSA-N 1 3 301.434 2.752 20 0 DFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CNC2CC2)cc1 ZINC000237351035 398369930 /nfs/dbraw/zinc/36/99/30/398369930.db2.gz VJLRIFKBZBXSSM-CQSZACIVSA-N 1 3 301.434 2.752 20 0 DFADHO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038700 185279162 /nfs/dbraw/zinc/27/91/62/185279162.db2.gz NPGCWBNQTZNHCT-MRXNPFEDSA-N 1 3 319.493 2.892 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C(C)C ZINC000090038770 185279189 /nfs/dbraw/zinc/27/91/89/185279189.db2.gz ICUFQZYOKPGWOU-QGZVFWFLSA-N 1 3 305.466 2.502 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1nc2cc(F)ccc2n1C ZINC000090044109 185279473 /nfs/dbraw/zinc/27/94/73/185279473.db2.gz UQBVXXCGUDTLJH-NFAWXSAZSA-N 1 3 318.440 2.573 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1nc2cc(F)ccc2n1C ZINC000090044109 185279474 /nfs/dbraw/zinc/27/94/74/185279474.db2.gz UQBVXXCGUDTLJH-NFAWXSAZSA-N 1 3 318.440 2.573 20 0 DFADHO c1cn(Cc2cccc(CNC3CC[NH+](C4CC4)CC3)c2)cn1 ZINC000459375342 299090720 /nfs/dbraw/zinc/09/07/20/299090720.db2.gz ZBCSWZZDYLJZQT-UHFFFAOYSA-N 1 3 310.445 2.648 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCc2cncn2C)CC1 ZINC000459377581 299091845 /nfs/dbraw/zinc/09/18/45/299091845.db2.gz YHJQKVWHCVVEDQ-QGZVFWFLSA-N 1 3 318.509 2.939 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCc2cncn2C)CC1 ZINC000459377581 299091848 /nfs/dbraw/zinc/09/18/48/299091848.db2.gz YHJQKVWHCVVEDQ-QGZVFWFLSA-N 1 3 318.509 2.939 20 0 DFADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3cccc(O)c3)CC2)C[C@H](C)O1 ZINC000092587442 185327307 /nfs/dbraw/zinc/32/73/07/185327307.db2.gz XJWMCJMBRRPDJL-IYBDPMFKSA-N 1 3 318.461 2.713 20 0 DFADHO C[C@@H]1C[N@H+](CC2CCN(Cc3cccc(O)c3)CC2)C[C@H](C)O1 ZINC000092587442 185327308 /nfs/dbraw/zinc/32/73/08/185327308.db2.gz XJWMCJMBRRPDJL-IYBDPMFKSA-N 1 3 318.461 2.713 20 0 DFADHO CCCC[NH+]1CCC(N[C@@H]2C[C@H](OCC)[C@@H]2SC)CC1 ZINC000459387943 299093643 /nfs/dbraw/zinc/09/36/43/299093643.db2.gz DKXVNNXYNURYDV-OWCLPIDISA-N 1 3 300.512 2.750 20 0 DFADHO CN1CCC[C@H]2C[N@H+](CCC(=O)OCc3ccccc3)CC[C@@H]21 ZINC000181478134 199304014 /nfs/dbraw/zinc/30/40/14/199304014.db2.gz GPWJAMYXZMDWQH-ROUUACIJSA-N 1 3 316.445 2.536 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](CCC(=O)OCc3ccccc3)CC[C@@H]21 ZINC000181478134 199304016 /nfs/dbraw/zinc/30/40/16/199304016.db2.gz GPWJAMYXZMDWQH-ROUUACIJSA-N 1 3 316.445 2.536 20 0 DFADHO Fc1ccc(-c2nc(CCN[C@H]3CCC[NH2+]CC3)co2)cc1 ZINC000584714686 398401177 /nfs/dbraw/zinc/40/11/77/398401177.db2.gz AIFGAZREHBLSOD-HNNXBMFYSA-N 1 3 303.381 2.755 20 0 DFADHO OC[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000459411038 299099972 /nfs/dbraw/zinc/09/99/72/299099972.db2.gz IOQASFWFIFGESB-SFHVURJKSA-N 1 3 315.392 2.513 20 0 DFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000584827205 398417427 /nfs/dbraw/zinc/41/74/27/398417427.db2.gz OPMSNLKCBNTFGL-CQSZACIVSA-N 1 3 318.465 2.574 20 0 DFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000584827205 398417429 /nfs/dbraw/zinc/41/74/29/398417429.db2.gz OPMSNLKCBNTFGL-CQSZACIVSA-N 1 3 318.465 2.574 20 0 DFADHO CCOC1CCN(C/C=C\C[NH+]2CCC(OCC)CC2)CC1 ZINC000255338143 398424645 /nfs/dbraw/zinc/42/46/45/398424645.db2.gz SPFTYQKWNXUMHZ-WAYWQWQTSA-N 1 3 310.482 2.544 20 0 DFADHO CC1(C)[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000459435278 299106522 /nfs/dbraw/zinc/10/65/22/299106522.db2.gz XJTJGMFJPKJQMI-KSZLIROESA-N 1 3 315.461 2.844 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](CC(C)C)C2)[C@H]1SC ZINC000459453758 299110390 /nfs/dbraw/zinc/11/03/90/299110390.db2.gz SZUNEJAOPDICQT-YYIAUSFCSA-N 1 3 314.539 2.853 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](CC(C)C)C2)[C@H]1SC ZINC000459453758 299110392 /nfs/dbraw/zinc/11/03/92/299110392.db2.gz SZUNEJAOPDICQT-YYIAUSFCSA-N 1 3 314.539 2.853 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(CC(C)C)C2)[C@H]1SC ZINC000459453758 299110395 /nfs/dbraw/zinc/11/03/95/299110395.db2.gz SZUNEJAOPDICQT-YYIAUSFCSA-N 1 3 314.539 2.853 20 0 DFADHO C[C@H]([NH2+]C1CCN(C2CC2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000459466169 299114037 /nfs/dbraw/zinc/11/40/37/299114037.db2.gz OSCLWSOCZSIQLX-HOTGVXAUSA-N 1 3 305.510 2.856 20 0 DFADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccnc1 ZINC000090523907 398488251 /nfs/dbraw/zinc/48/82/51/398488251.db2.gz KEEXELJQVPMDFI-WBAXXEDZSA-N 1 3 303.450 2.500 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2cnn(C(C)(C)C)c2)C[C@H](C)O1 ZINC000062252803 282449687 /nfs/dbraw/zinc/44/96/87/282449687.db2.gz HOAQWUAORLWLQL-HOTGVXAUSA-N 1 3 322.497 2.617 20 0 DFADHO C[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccncc1F ZINC000459533020 299127465 /nfs/dbraw/zinc/12/74/65/299127465.db2.gz DWWWRXUZDRJGII-CYBMUJFWSA-N 1 3 300.381 2.935 20 0 DFADHO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC[C@H]1CCCN1C ZINC000091075126 398508468 /nfs/dbraw/zinc/50/84/68/398508468.db2.gz QAUPHQBRZDZRGY-GOSISDBHSA-N 1 3 303.494 2.971 20 0 DFADHO Cn1ccnc1[C@H](NC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000459547726 299130397 /nfs/dbraw/zinc/13/03/97/299130397.db2.gz WNXHXCUDWNMOKX-QGZVFWFLSA-N 1 3 311.433 2.525 20 0 DFADHO C[NH+]1CCC([C@H]2CCN(Cc3cnc(C4CC4)nc3)C2)CC1 ZINC000459549653 299131793 /nfs/dbraw/zinc/13/17/93/299131793.db2.gz FWUWZXKUFOJORU-KRWDZBQOSA-N 1 3 300.450 2.518 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000315823572 398528204 /nfs/dbraw/zinc/52/82/04/398528204.db2.gz GXMMQCYQWGFZNU-HNNXBMFYSA-N 1 3 303.450 2.857 20 0 DFADHO O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000459585280 299141336 /nfs/dbraw/zinc/14/13/36/299141336.db2.gz JVWBDDBYYAZUDJ-USYVTKNRSA-N 1 3 314.473 2.790 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1C[C@H]1C ZINC000414114522 295768800 /nfs/dbraw/zinc/76/88/00/295768800.db2.gz LXCNNRRBKQUQGC-CLCXKQKWSA-N 1 3 302.462 2.777 20 0 DFADHO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000272620917 210021730 /nfs/dbraw/zinc/02/17/30/210021730.db2.gz YGCPONLMJIQDKU-YCVVXREPSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000272620917 210021732 /nfs/dbraw/zinc/02/17/32/210021732.db2.gz YGCPONLMJIQDKU-YCVVXREPSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000272620917 210021735 /nfs/dbraw/zinc/02/17/35/210021735.db2.gz YGCPONLMJIQDKU-YCVVXREPSA-N 1 3 300.446 2.664 20 0 DFADHO COC[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000272616149 210017306 /nfs/dbraw/zinc/01/73/06/210017306.db2.gz XEOAFFPYEGZLEF-MRXNPFEDSA-N 1 3 312.404 2.974 20 0 DFADHO CC[NH+]1CCC(CN[C@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000321108096 398551470 /nfs/dbraw/zinc/55/14/70/398551470.db2.gz JEVHHRJIZUDCQD-CQSZACIVSA-N 1 3 315.465 2.729 20 0 DFADHO CCC[NH+]1CCN(c2ccccc2CNc2nccn2C)CC1 ZINC000414293496 295784942 /nfs/dbraw/zinc/78/49/42/295784942.db2.gz CTXZWCJQSIZDKF-UHFFFAOYSA-N 1 3 313.449 2.564 20 0 DFADHO COc1cc([C@@H](C)NCC2CC[NH+](C3CC3)CC2)c(F)cn1 ZINC000287172986 219359238 /nfs/dbraw/zinc/35/92/38/219359238.db2.gz USGLFWGDPVKTGW-GFCCVEGCSA-N 1 3 307.413 2.754 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000590657618 398646618 /nfs/dbraw/zinc/64/66/18/398646618.db2.gz MAOGEZGJDMFPOK-BGTYHANMSA-N 1 3 322.493 2.961 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000590657618 398646620 /nfs/dbraw/zinc/64/66/20/398646620.db2.gz MAOGEZGJDMFPOK-BGTYHANMSA-N 1 3 322.493 2.961 20 0 DFADHO C[C@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)c1ccccc1 ZINC000194303686 186279348 /nfs/dbraw/zinc/27/93/48/186279348.db2.gz SDIHAYQKBQPZOB-QGZVFWFLSA-N 1 3 315.505 2.938 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000237480194 186295588 /nfs/dbraw/zinc/29/55/88/186295588.db2.gz KJHZORYBZDLDPV-GDBMZVCRSA-N 1 3 303.450 2.713 20 0 DFADHO COc1cc(OC)c(CNCC[C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000459726068 299174137 /nfs/dbraw/zinc/17/41/37/299174137.db2.gz GDMNSBQDQCYKPE-CQSZACIVSA-N 1 3 322.449 2.534 20 0 DFADHO COc1cc(OC)c(CNCC[C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000459726068 299174138 /nfs/dbraw/zinc/17/41/38/299174138.db2.gz GDMNSBQDQCYKPE-CQSZACIVSA-N 1 3 322.449 2.534 20 0 DFADHO COc1cc2c(c(CNCC[C@H]3CCC[N@H+](C)C3)c1)O[C@H](C)C2 ZINC000459731305 299175084 /nfs/dbraw/zinc/17/50/84/299175084.db2.gz LKFMWKKSRHVBLO-HUUCEWRRSA-N 1 3 318.461 2.840 20 0 DFADHO COc1cc2c(c(CNCC[C@H]3CCC[N@@H+](C)C3)c1)O[C@H](C)C2 ZINC000459731305 299175088 /nfs/dbraw/zinc/17/50/88/299175088.db2.gz LKFMWKKSRHVBLO-HUUCEWRRSA-N 1 3 318.461 2.840 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cc(Cl)c2c(c1)OCCO2 ZINC000414804355 295820942 /nfs/dbraw/zinc/82/09/42/295820942.db2.gz OQZDHBOVQQFAIQ-JSGCOSHPSA-N 1 3 310.825 2.718 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2cnc3ccc(Cl)cn23)C1 ZINC000459735752 299176474 /nfs/dbraw/zinc/17/64/74/299176474.db2.gz PNWRDRJZHDUBHM-CYBMUJFWSA-N 1 3 306.841 2.809 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2cnc3ccc(Cl)cn23)C1 ZINC000459735752 299176476 /nfs/dbraw/zinc/17/64/76/299176476.db2.gz PNWRDRJZHDUBHM-CYBMUJFWSA-N 1 3 306.841 2.809 20 0 DFADHO CCCn1c(CNCC2(C)CC[NH2+]CC2)nc2ccccc21 ZINC000414900280 295832173 /nfs/dbraw/zinc/83/21/73/295832173.db2.gz IIABGSSBKOKBNJ-UHFFFAOYSA-N 1 3 300.450 2.926 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](CNCc2csc(-c3ccccn3)n2)C1 ZINC000414999353 295845540 /nfs/dbraw/zinc/84/55/40/295845540.db2.gz RSPJJSBCQZMZNZ-OLZOCXBDSA-N 1 3 302.447 2.812 20 0 DFADHO COc1ccc(CNC[C@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1OC ZINC000414999797 295845872 /nfs/dbraw/zinc/84/58/72/295845872.db2.gz SMQFCXBZPDIOFN-WCQYABFASA-N 1 3 312.841 2.964 20 0 DFADHO c1nn(-c2ccccc2)cc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415078757 295855289 /nfs/dbraw/zinc/85/52/89/295855289.db2.gz GYEZOCOROHDESQ-AQNXPRMDSA-N 1 3 324.472 2.925 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CO1 ZINC000401870360 398689143 /nfs/dbraw/zinc/68/91/43/398689143.db2.gz BLLUCVAOPBBQTC-QFACEVIFSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000401870360 398689148 /nfs/dbraw/zinc/68/91/48/398689148.db2.gz BLLUCVAOPBBQTC-QFACEVIFSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000401870360 398689154 /nfs/dbraw/zinc/68/91/54/398689154.db2.gz BLLUCVAOPBBQTC-QFACEVIFSA-N 1 3 300.446 2.664 20 0 DFADHO CCCCC1CCC([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000415088235 295856631 /nfs/dbraw/zinc/85/66/31/295856631.db2.gz VVQHCNXMAFPSDW-CGZBRXJRSA-N 1 3 309.498 2.522 20 0 DFADHO C[C@@H](c1ccncc1)N1CCC(NCC[NH2+]C(C)(C)C)CC1 ZINC000415083161 295855971 /nfs/dbraw/zinc/85/59/71/295855971.db2.gz MZPVHBSVFLGKPO-HNNXBMFYSA-N 1 3 304.482 2.585 20 0 DFADHO c1cn(Cc2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)cn1 ZINC000415091666 295856801 /nfs/dbraw/zinc/85/68/01/295856801.db2.gz ZOOTZJMTIIDIDC-SLFFLAALSA-N 1 3 324.472 2.942 20 0 DFADHO CC[NH+]1CCC(CCNC(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000174120837 198293784 /nfs/dbraw/zinc/29/37/84/198293784.db2.gz RQXBPJTUCLSTRA-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO Cc1cc(F)ccc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415117870 295860264 /nfs/dbraw/zinc/86/02/64/295860264.db2.gz CMBVRGAAEONMJG-ZWKOTPCHSA-N 1 3 306.425 2.852 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cn2ccccc2n1 ZINC000415122160 295861081 /nfs/dbraw/zinc/86/10/81/295861081.db2.gz ZYZQNOADOYENOQ-HOTGVXAUSA-N 1 3 300.450 2.777 20 0 DFADHO Cc1ccc(F)cc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415122010 295861145 /nfs/dbraw/zinc/86/11/45/295861145.db2.gz JBRBOZNMNFBXEC-MSOLQXFVSA-N 1 3 306.425 2.852 20 0 DFADHO CCOc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415118701 295860609 /nfs/dbraw/zinc/86/06/09/295860609.db2.gz DVXGFLBJGQIEFV-OALUTQOASA-N 1 3 318.461 2.804 20 0 DFADHO Cc1ccc(F)c(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415124357 295861598 /nfs/dbraw/zinc/86/15/98/295861598.db2.gz MNWZWHWIEBHVMO-SJLPKXTDSA-N 1 3 306.425 2.852 20 0 DFADHO CC[C@](CN[C@@H](C)C[C@H]1CCC[NH2+]1)(C(=O)OC)c1ccccc1 ZINC000415146886 295864736 /nfs/dbraw/zinc/86/47/36/295864736.db2.gz ZKNQKCNLJXMJIW-KVSKMBFKSA-N 1 3 318.461 2.628 20 0 DFADHO C[C@H]1C[C@H](N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000182159598 199395523 /nfs/dbraw/zinc/39/55/23/199395523.db2.gz WNPDFAMKCRACET-OUENDJJVSA-N 1 3 310.388 2.867 20 0 DFADHO C[C@H]1C[C@H](N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000182159598 199395525 /nfs/dbraw/zinc/39/55/25/199395525.db2.gz WNPDFAMKCRACET-OUENDJJVSA-N 1 3 310.388 2.867 20 0 DFADHO CC[C@@H]1CCCCN1CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460199395 299211301 /nfs/dbraw/zinc/21/13/01/299211301.db2.gz CFYUHUKYIMXPHH-QGZVFWFLSA-N 1 3 323.525 2.879 20 0 DFADHO CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000236774697 202003022 /nfs/dbraw/zinc/00/30/22/202003022.db2.gz JZVLRGCIBLVUTB-MAUKXSAKSA-N 1 3 317.477 2.655 20 0 DFADHO CC(C)[NH+](CCNC(=O)[C@@H](C)[C@@H](N)c1ccccc1)C(C)C ZINC000236783174 202006155 /nfs/dbraw/zinc/00/61/55/202006155.db2.gz PNXHWDZZSKHQSK-DOTOQJQBSA-N 1 3 305.466 2.558 20 0 DFADHO COc1ccc(OCCC[N@@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000277033765 213254128 /nfs/dbraw/zinc/25/41/28/213254128.db2.gz BHXDXHYHCQEAIY-MRXNPFEDSA-N 1 3 306.450 2.880 20 0 DFADHO COc1ccc(OCCC[N@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000277033765 213254131 /nfs/dbraw/zinc/25/41/31/213254131.db2.gz BHXDXHYHCQEAIY-MRXNPFEDSA-N 1 3 306.450 2.880 20 0 DFADHO CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000074227027 398733074 /nfs/dbraw/zinc/73/30/74/398733074.db2.gz RIJSPPCOGYXPLS-MRXNPFEDSA-N 1 3 309.498 2.584 20 0 DFADHO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000178114358 535285335 /nfs/dbraw/zinc/28/53/35/535285335.db2.gz CUDYHRCJGYGUDJ-CRAIPNDOSA-N 1 3 308.466 2.685 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353640728 283138770 /nfs/dbraw/zinc/13/87/70/283138770.db2.gz HNMKIXIMOPIHJM-SLHNCBLASA-N 1 3 314.473 2.615 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353640728 283138776 /nfs/dbraw/zinc/13/87/76/283138776.db2.gz HNMKIXIMOPIHJM-SLHNCBLASA-N 1 3 314.473 2.615 20 0 DFADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000236941536 202082435 /nfs/dbraw/zinc/08/24/35/202082435.db2.gz SKDHOPPFXJTJKW-NJAFHUGGSA-N 1 3 317.477 2.622 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000236940730 202082733 /nfs/dbraw/zinc/08/27/33/202082733.db2.gz ZALVROPWCZQSRI-FUHWJXTLSA-N 1 3 319.493 2.910 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000236928951 202076703 /nfs/dbraw/zinc/07/67/03/202076703.db2.gz IZELLNBJMADMGN-CVEARBPZSA-N 1 3 303.450 2.984 20 0 DFADHO CCc1ccc([C@H](CNC(=O)[C@@]2(CC)CCC[NH2+]2)N(C)C)cc1 ZINC000134554009 283192162 /nfs/dbraw/zinc/19/21/62/283192162.db2.gz ZXBYDMWDKASEKY-PKOBYXMFSA-N 1 3 317.477 2.500 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1)C(C)C ZINC000236994193 202113372 /nfs/dbraw/zinc/11/33/72/202113372.db2.gz GHDHFBZUBDPYHB-HOTGVXAUSA-N 1 3 317.477 2.739 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1)C(C)C ZINC000236994193 202113373 /nfs/dbraw/zinc/11/33/73/202113373.db2.gz GHDHFBZUBDPYHB-HOTGVXAUSA-N 1 3 317.477 2.739 20 0 DFADHO CCC[NH+]1CCC(NC[C@H](c2cccc(OC)c2)N(C)C)CC1 ZINC000121606610 398788201 /nfs/dbraw/zinc/78/82/01/398788201.db2.gz CRCZOVJVLMQZNN-LJQANCHMSA-N 1 3 319.493 2.762 20 0 DFADHO CCCN1CCC([NH2+]C[C@H](c2cccc(OC)c2)N(C)C)CC1 ZINC000121606610 398788204 /nfs/dbraw/zinc/78/82/04/398788204.db2.gz CRCZOVJVLMQZNN-LJQANCHMSA-N 1 3 319.493 2.762 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000127559796 283208141 /nfs/dbraw/zinc/20/81/41/283208141.db2.gz FUFNWKRXOFPPLP-IAGOWNOFSA-N 1 3 311.514 2.830 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000366328255 283208960 /nfs/dbraw/zinc/20/89/60/283208960.db2.gz ULTHHEQIRMGRAS-MSOLQXFVSA-N 1 3 323.525 2.831 20 0 DFADHO C[NH2+]CCCC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000237171887 202175669 /nfs/dbraw/zinc/17/56/69/202175669.db2.gz AJAKKIWIIVBIBZ-OAHLLOKOSA-N 1 3 323.506 2.637 20 0 DFADHO C[C@H](NC1CC[NH+](CCO)CC1)c1ccc(F)c(Cl)c1 ZINC000591886159 398803480 /nfs/dbraw/zinc/80/34/80/398803480.db2.gz PRROKUPJAZLXKA-NSHDSACASA-N 1 3 300.805 2.586 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000594495899 398809409 /nfs/dbraw/zinc/80/94/09/398809409.db2.gz FEDMNVCEPMNQLW-MZMPZRCHSA-N 1 3 316.445 2.923 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000594495899 398809412 /nfs/dbraw/zinc/80/94/12/398809412.db2.gz FEDMNVCEPMNQLW-MZMPZRCHSA-N 1 3 316.445 2.923 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)CN(C)C)CCC2 ZINC000594524481 398816059 /nfs/dbraw/zinc/81/60/59/398816059.db2.gz QPAMCJBAUHFLFG-DYVFJYSZSA-N 1 3 304.434 2.638 20 0 DFADHO CC1CC[NH+](CCN2CCCN(Cc3ccccc3)CC2)CC1 ZINC000152489490 283326336 /nfs/dbraw/zinc/32/63/36/283326336.db2.gz ZRAOGZPDFVIQCM-UHFFFAOYSA-N 1 3 315.505 2.926 20 0 DFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H](N)CC)c1 ZINC000130589693 398846524 /nfs/dbraw/zinc/84/65/24/398846524.db2.gz OAKAMHVUGPSRGT-QGZVFWFLSA-N 1 3 305.466 2.662 20 0 DFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H](N)CC)c1 ZINC000130589693 398846526 /nfs/dbraw/zinc/84/65/26/398846526.db2.gz OAKAMHVUGPSRGT-QGZVFWFLSA-N 1 3 305.466 2.662 20 0 DFADHO C[C@@H](CC(=O)N(CCN(C)C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237308529 202226324 /nfs/dbraw/zinc/22/63/24/202226324.db2.gz BEVGQHALLJLQPH-DLBZAZTESA-N 1 3 317.477 2.607 20 0 DFADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000594938439 398876721 /nfs/dbraw/zinc/87/67/21/398876721.db2.gz WDMFDGKIKWASSB-QMCVQRASSA-N 1 3 308.466 2.571 20 0 DFADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000594938439 398876722 /nfs/dbraw/zinc/87/67/22/398876722.db2.gz WDMFDGKIKWASSB-QMCVQRASSA-N 1 3 308.466 2.571 20 0 DFADHO CSC1(CNCc2c(C3CCC3)cnn2C)CC[NH+](C)CC1 ZINC000594945835 398879156 /nfs/dbraw/zinc/87/91/56/398879156.db2.gz YBPNOOMLYJUPPC-UHFFFAOYSA-N 1 3 322.522 2.605 20 0 DFADHO CC(C)(C)OC(=O)C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000594993074 398887807 /nfs/dbraw/zinc/88/78/07/398887807.db2.gz ADMVDZYHAVZFCB-HUUCEWRRSA-N 1 3 308.466 2.715 20 0 DFADHO CC(C)(C)OC(=O)C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000594993074 398887811 /nfs/dbraw/zinc/88/78/11/398887811.db2.gz ADMVDZYHAVZFCB-HUUCEWRRSA-N 1 3 308.466 2.715 20 0 DFADHO CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCCN(CC)C2)c1C ZINC000598959328 398897796 /nfs/dbraw/zinc/89/77/96/398897796.db2.gz ILYDRVIRDQPCBI-OAHLLOKOSA-N 1 3 321.465 2.630 20 0 DFADHO COC(=O)CC1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000599054389 398913877 /nfs/dbraw/zinc/91/38/77/398913877.db2.gz KKCVMRZJQCAJIH-NXYGQSRBSA-N 1 3 322.493 2.820 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)C[C@H]1C ZINC000599071633 398916943 /nfs/dbraw/zinc/91/69/43/398916943.db2.gz RQJDPVFZPKGJFM-LTIDMASMSA-N 1 3 310.482 2.676 20 0 DFADHO C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)CN1Cc1ccccc1 ZINC000237570258 202289087 /nfs/dbraw/zinc/28/90/87/202289087.db2.gz CDRGRKDFEZUIRS-DNVCBOLYSA-N 1 3 323.440 2.538 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417316258 296009343 /nfs/dbraw/zinc/00/93/43/296009343.db2.gz UDYBQYLACXZKTG-YESZJQIVSA-N 1 3 321.534 2.857 20 0 DFADHO C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000417392168 296016283 /nfs/dbraw/zinc/01/62/83/296016283.db2.gz AZADCZJJKDAKDO-OBKDMQGPSA-N 1 3 314.473 2.790 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417392168 296016284 /nfs/dbraw/zinc/01/62/84/296016284.db2.gz AZADCZJJKDAKDO-OBKDMQGPSA-N 1 3 314.473 2.790 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417392168 296016286 /nfs/dbraw/zinc/01/62/86/296016286.db2.gz AZADCZJJKDAKDO-OBKDMQGPSA-N 1 3 314.473 2.790 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000417399567 296016899 /nfs/dbraw/zinc/01/68/99/296016899.db2.gz ILNOOIMMGNRGGH-CENDIDJXSA-N 1 3 314.473 2.933 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000417399567 296016901 /nfs/dbraw/zinc/01/69/01/296016901.db2.gz ILNOOIMMGNRGGH-CENDIDJXSA-N 1 3 314.473 2.933 20 0 DFADHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(F)cc1 ZINC000281287685 216211947 /nfs/dbraw/zinc/21/19/47/216211947.db2.gz JCRPHGIVINNPDI-UHFFFAOYSA-N 1 3 307.413 2.572 20 0 DFADHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(F)cc1 ZINC000281287685 216211950 /nfs/dbraw/zinc/21/19/50/216211950.db2.gz JCRPHGIVINNPDI-UHFFFAOYSA-N 1 3 307.413 2.572 20 0 DFADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000271901791 209309810 /nfs/dbraw/zinc/30/98/10/209309810.db2.gz VUXUBLVDJVCAMB-HNNXBMFYSA-N 1 3 313.445 2.726 20 0 DFADHO CC(C)c1ccc([C@@H](N)CNC(=O)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000621621885 398998310 /nfs/dbraw/zinc/99/83/10/398998310.db2.gz MZIQFPLCFRLJFD-YJBOKZPZSA-N 1 3 317.477 2.706 20 0 DFADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000417783755 296050502 /nfs/dbraw/zinc/05/05/02/296050502.db2.gz ACBCRQLGFXQQHR-DLBZAZTESA-N 1 3 317.477 2.704 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1=CCN(C)CC1 ZINC000271848697 209265163 /nfs/dbraw/zinc/26/51/63/209265163.db2.gz IIFSNBJEMWHHGV-CYBMUJFWSA-N 1 3 321.852 2.909 20 0 DFADHO CC(C)(C(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@@H](N)c1ccccc1 ZINC000417800398 296052255 /nfs/dbraw/zinc/05/22/55/296052255.db2.gz SOGCASGBLSWAMM-IRXDYDNUSA-N 1 3 317.477 2.736 20 0 DFADHO CCc1ccccc1[C@@H](N)CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000417825962 296055184 /nfs/dbraw/zinc/05/51/84/296055184.db2.gz CXUPDOJUNJNSNR-KRWDZBQOSA-N 1 3 317.477 2.664 20 0 DFADHO CC(C)(C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)[C@@H](N)c1ccccc1 ZINC000417834468 296055946 /nfs/dbraw/zinc/05/59/46/296055946.db2.gz VHYSSYFJRLSVKB-HOTGVXAUSA-N 1 3 317.477 2.607 20 0 DFADHO N[C@H](CC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000417844415 296057180 /nfs/dbraw/zinc/05/71/80/296057180.db2.gz WQAJECHTNLXCKS-MSOLQXFVSA-N 1 3 311.429 2.673 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621650654 399008705 /nfs/dbraw/zinc/00/87/05/399008705.db2.gz AJDOTUQOTUJUQA-HNNXBMFYSA-N 1 3 303.450 2.775 20 0 DFADHO CCCCN1CCCC[C@H]1CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000475925071 299350960 /nfs/dbraw/zinc/35/09/60/299350960.db2.gz FHMYSUUZLQNAAP-CVEARBPZSA-N 1 3 311.514 2.924 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000091283697 193029729 /nfs/dbraw/zinc/02/97/29/193029729.db2.gz MHOULJYRCOSRDE-LJQANCHMSA-N 1 3 301.478 2.753 20 0 DFADHO CC(C)OC1CC([NH2+]CCc2ccc(OCCN(C)C)cc2)C1 ZINC000275117178 212130882 /nfs/dbraw/zinc/13/08/82/212130882.db2.gz ICKIBHUZCQNBSL-UHFFFAOYSA-N 1 3 320.477 2.715 20 0 DFADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338433234 284113051 /nfs/dbraw/zinc/11/30/51/284113051.db2.gz WAVZUPZLAKUPDT-INIZCTEOSA-N 1 3 312.461 2.827 20 0 DFADHO CC[N@@H+]1CC[C@@H](CNCc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338433234 284113055 /nfs/dbraw/zinc/11/30/55/284113055.db2.gz WAVZUPZLAKUPDT-INIZCTEOSA-N 1 3 312.461 2.827 20 0 DFADHO CC[N@H+]1CC[C@@H](CNCc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338433234 284113060 /nfs/dbraw/zinc/11/30/60/284113060.db2.gz WAVZUPZLAKUPDT-INIZCTEOSA-N 1 3 312.461 2.827 20 0 DFADHO C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[C@H](N)c1ccccc1 ZINC000261786655 203116146 /nfs/dbraw/zinc/11/61/46/203116146.db2.gz SOILJWYCTHNAEN-BQFCYCMXSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[C@H](N)c1ccccc1 ZINC000261786655 203116150 /nfs/dbraw/zinc/11/61/50/203116150.db2.gz SOILJWYCTHNAEN-BQFCYCMXSA-N 1 3 317.477 2.703 20 0 DFADHO CCC[C@@](C)(N)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000261922045 203153802 /nfs/dbraw/zinc/15/38/02/203153802.db2.gz IAJJSEURAZYKPR-GOSISDBHSA-N 1 3 305.466 2.662 20 0 DFADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262149592 203211439 /nfs/dbraw/zinc/21/14/39/203211439.db2.gz QWSOIQZILSITMM-WDYCEAGBSA-N 1 3 317.477 2.673 20 0 DFADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262149592 203211442 /nfs/dbraw/zinc/21/14/42/203211442.db2.gz QWSOIQZILSITMM-WDYCEAGBSA-N 1 3 317.477 2.673 20 0 DFADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262148101 203212403 /nfs/dbraw/zinc/21/24/03/203212403.db2.gz QWSOIQZILSITMM-IEZWGBDMSA-N 1 3 317.477 2.673 20 0 DFADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262148101 203212406 /nfs/dbraw/zinc/21/24/06/203212406.db2.gz QWSOIQZILSITMM-IEZWGBDMSA-N 1 3 317.477 2.673 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2ncccc2C)CC1 ZINC000093256705 193220846 /nfs/dbraw/zinc/22/08/46/193220846.db2.gz VGDLSCCKBBGXHG-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ncccc2C)CC1 ZINC000093256705 193220848 /nfs/dbraw/zinc/22/08/48/193220848.db2.gz VGDLSCCKBBGXHG-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)C1 ZINC000262675489 203378864 /nfs/dbraw/zinc/37/88/64/203378864.db2.gz RRDZCLMARPOORL-RYRKJORJSA-N 1 3 317.477 2.513 20 0 DFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)C1 ZINC000262675489 203378865 /nfs/dbraw/zinc/37/88/65/203378865.db2.gz RRDZCLMARPOORL-RYRKJORJSA-N 1 3 317.477 2.513 20 0 DFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CNCC2CC2)cc1 ZINC000262680833 203380296 /nfs/dbraw/zinc/38/02/96/203380296.db2.gz XCWNYIOQJUVLDN-HNNXBMFYSA-N 1 3 315.461 2.999 20 0 DFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CNCC2CC2)cc1 ZINC000262680833 203380299 /nfs/dbraw/zinc/38/02/99/203380299.db2.gz XCWNYIOQJUVLDN-HNNXBMFYSA-N 1 3 315.461 2.999 20 0 DFADHO CCC[C@@](C)(N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000262656892 203367970 /nfs/dbraw/zinc/36/79/70/203367970.db2.gz CUSAFLDACXQPRK-GOSISDBHSA-N 1 3 316.449 2.659 20 0 DFADHO Cc1cc(CNCCOCC[NH+](C)C)ccc1C(F)(F)F ZINC000419690130 296147037 /nfs/dbraw/zinc/14/70/37/296147037.db2.gz USXNKBYJJJYLKU-UHFFFAOYSA-N 1 3 304.356 2.682 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2cccn2C)CC1 ZINC000093769490 193302803 /nfs/dbraw/zinc/30/28/03/193302803.db2.gz UAJYUYDMLSZVME-UHFFFAOYSA-N 1 3 307.482 2.596 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cccn2C)CC1 ZINC000093769490 193302805 /nfs/dbraw/zinc/30/28/05/193302805.db2.gz UAJYUYDMLSZVME-UHFFFAOYSA-N 1 3 307.482 2.596 20 0 DFADHO COC(=O)c1cc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000595900963 399127821 /nfs/dbraw/zinc/12/78/21/399127821.db2.gz QJKYHDWNVMYVQR-HNNXBMFYSA-N 1 3 322.474 2.746 20 0 DFADHO Cc1cc(C[NH+](C)C)cc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000340334326 284177853 /nfs/dbraw/zinc/17/78/53/284177853.db2.gz RLVPXDCVPGWQFE-GASCZTMLSA-N 1 3 303.450 2.868 20 0 DFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(Cl)cn2)CC1 ZINC000274914494 212030637 /nfs/dbraw/zinc/03/06/37/212030637.db2.gz NYTRVFCUDYDCRU-LSDHHAIUSA-N 1 3 324.900 2.659 20 0 DFADHO CN1CCN(CC[NH2+][C@@H](c2ccccc2)C2CC2)CC1(C)C ZINC000282455906 217008523 /nfs/dbraw/zinc/00/85/23/217008523.db2.gz VHQOEPJIXGAGIE-SFHVURJKSA-N 1 3 301.478 2.753 20 0 DFADHO Cn1cc(CCN2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000607151128 399146330 /nfs/dbraw/zinc/14/63/30/399146330.db2.gz FMKQWKBAIOBXFV-UHFFFAOYSA-N 1 3 304.482 2.551 20 0 DFADHO Cc1ccc([C@@H](C)[N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420295806 296170676 /nfs/dbraw/zinc/17/06/76/296170676.db2.gz AXCSVPKDMXPXEN-UXPWSPDFSA-N 1 3 312.457 2.919 20 0 DFADHO Cc1ccc([C@@H](C)[N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420295806 296170677 /nfs/dbraw/zinc/17/06/77/296170677.db2.gz AXCSVPKDMXPXEN-UXPWSPDFSA-N 1 3 312.457 2.919 20 0 DFADHO FC(F)(F)C1(C(F)(F)F)CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420296454 296170999 /nfs/dbraw/zinc/17/09/99/296170999.db2.gz DPXIGIZDNPYTBV-SECBINFHSA-N 1 3 304.278 2.803 20 0 DFADHO CC(C)[C@](C)(C[NH3+])NCCOc1ccccc1Br ZINC000420298682 296171344 /nfs/dbraw/zinc/17/13/44/296171344.db2.gz FQXHZSFODUPDNB-AWEZNQCLSA-N 1 3 315.255 2.791 20 0 DFADHO c1ccc2c(c1)cccc2CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420300787 296171576 /nfs/dbraw/zinc/17/15/76/296171576.db2.gz KNAKNRLXOHPXTG-SFHVURJKSA-N 1 3 323.484 2.957 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000420308123 296172842 /nfs/dbraw/zinc/17/28/42/296172842.db2.gz SAXMPOASLYKLPE-IEBWSBKVSA-N 1 3 318.461 2.630 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000420308123 296172843 /nfs/dbraw/zinc/17/28/43/296172843.db2.gz SAXMPOASLYKLPE-IEBWSBKVSA-N 1 3 318.461 2.630 20 0 DFADHO CN(CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000420306659 296172538 /nfs/dbraw/zinc/17/25/38/296172538.db2.gz QUJCVHRCIQIOBC-WMZOPIPTSA-N 1 3 315.461 2.504 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000341696534 284276508 /nfs/dbraw/zinc/27/65/08/284276508.db2.gz RSDOOSKGOBXPNK-YOEHRIQHSA-N 1 3 303.450 2.665 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000341696534 284276510 /nfs/dbraw/zinc/27/65/10/284276510.db2.gz RSDOOSKGOBXPNK-YOEHRIQHSA-N 1 3 303.450 2.665 20 0 DFADHO COc1c(C)cnc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420319390 296174436 /nfs/dbraw/zinc/17/44/36/296174436.db2.gz ABFNLFOBIQVIBZ-HZPDHXFCSA-N 1 3 303.450 2.529 20 0 DFADHO Cc1cccc(NC(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)c1C ZINC000420317492 296174163 /nfs/dbraw/zinc/17/41/63/296174163.db2.gz UOXJWICVVTUSKE-HOTGVXAUSA-N 1 3 303.450 2.691 20 0 DFADHO [NH3+]C[C@H]1CN([C@@H]2CCc3ccc(F)cc32)CC12CCOCC2 ZINC000420321270 296174810 /nfs/dbraw/zinc/17/48/10/296174810.db2.gz COZYGRMVVREVNG-WMLDXEAASA-N 1 3 304.409 2.500 20 0 DFADHO c1ccc(OCCOCCN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000420331184 296176384 /nfs/dbraw/zinc/17/63/84/296176384.db2.gz BSOLOESLWGEMSJ-LJQANCHMSA-N 1 3 318.461 2.546 20 0 DFADHO [NH3+]C[C@H]1CN([C@H]2CCCc3ccc(F)cc32)CC12CCOCC2 ZINC000420325548 296175807 /nfs/dbraw/zinc/17/58/07/296175807.db2.gz IUMXWAMXGCLNCQ-YJBOKZPZSA-N 1 3 318.436 2.890 20 0 DFADHO CC(C)N(C(=O)CN1CCC([C@@H]2CCC[NH2+]2)CC1)C1CCCC1 ZINC000420337648 296177200 /nfs/dbraw/zinc/17/72/00/296177200.db2.gz OEQOLDIUEBITNN-SFHVURJKSA-N 1 3 321.509 2.630 20 0 DFADHO COc1cccc([C@H](C)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420374994 296182248 /nfs/dbraw/zinc/18/22/48/296182248.db2.gz IFMCCRJPGYYYFE-JVPBZIDWSA-N 1 3 318.461 2.975 20 0 DFADHO [NH3+]C[C@@H](NCCOCCOc1ccccc1)C1CCCCC1 ZINC000420373436 296182168 /nfs/dbraw/zinc/18/21/68/296182168.db2.gz RAUAQIZSQBQXTQ-GOSISDBHSA-N 1 3 306.450 2.579 20 0 DFADHO Cc1cccc(C[N@@H+](C)CCCN2CCN(C(C)C)CC2)c1 ZINC000282648155 217151016 /nfs/dbraw/zinc/15/10/16/217151016.db2.gz KYGFMFZAHDFGQT-UHFFFAOYSA-N 1 3 303.494 2.843 20 0 DFADHO Cc1cccc(C[N@H+](C)CCCN2CCN(C(C)C)CC2)c1 ZINC000282648155 217151018 /nfs/dbraw/zinc/15/10/18/217151018.db2.gz KYGFMFZAHDFGQT-UHFFFAOYSA-N 1 3 303.494 2.843 20 0 DFADHO CCCN1CCC([NH2+]Cc2ccc(OC)c(OC)c2C)CC1 ZINC000342090607 284324727 /nfs/dbraw/zinc/32/47/27/284324727.db2.gz VZGGZYSRCZIQLJ-UHFFFAOYSA-N 1 3 306.450 2.976 20 0 DFADHO COc1cccc([C@H](C)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420385723 296184503 /nfs/dbraw/zinc/18/45/03/296184503.db2.gz HWPBFAIMNZYPHK-FNHZYXHNSA-N 1 3 318.461 2.975 20 0 DFADHO COc1ccc(OCCCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420393501 296185449 /nfs/dbraw/zinc/18/54/49/296185449.db2.gz JSIGIOUSQLHRIV-QFBILLFUSA-N 1 3 318.461 2.928 20 0 DFADHO Cc1cccc(OCCN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420395915 296185734 /nfs/dbraw/zinc/18/57/34/296185734.db2.gz UURAAAOVKAYFEK-PKOBYXMFSA-N 1 3 318.461 2.592 20 0 DFADHO C[C@H](NCCN1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000420410151 296187645 /nfs/dbraw/zinc/18/76/45/296187645.db2.gz RCZBMUCTHYLHJN-NSHDSACASA-N 1 3 302.249 2.549 20 0 DFADHO CC(C)[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCCC1 ZINC000342501610 284345971 /nfs/dbraw/zinc/34/59/71/284345971.db2.gz WFUPPGZIBYAXPF-UJJTZGENSA-N 1 3 321.509 2.581 20 0 DFADHO CC(C)[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCCC1 ZINC000342501610 284345975 /nfs/dbraw/zinc/34/59/75/284345975.db2.gz WFUPPGZIBYAXPF-UJJTZGENSA-N 1 3 321.509 2.581 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000266068576 205072907 /nfs/dbraw/zinc/07/29/07/205072907.db2.gz FDFQKCTVDVULDU-GOSISDBHSA-N 1 3 317.477 2.695 20 0 DFADHO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Nc2ccncc2)cc1 ZINC000081292939 399222993 /nfs/dbraw/zinc/22/29/93/399222993.db2.gz FUOLRHZRBMLYDY-QGZVFWFLSA-N 1 3 322.412 2.792 20 0 DFADHO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Nc2ccncc2)cc1 ZINC000081292939 399223000 /nfs/dbraw/zinc/22/30/00/399223000.db2.gz FUOLRHZRBMLYDY-QGZVFWFLSA-N 1 3 322.412 2.792 20 0 DFADHO COCc1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000608057189 399228419 /nfs/dbraw/zinc/22/84/19/399228419.db2.gz YTMHBNMGVVFPAK-LJQANCHMSA-N 1 3 318.461 2.566 20 0 DFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C)o3)CC2)CC1 ZINC000421368169 296249268 /nfs/dbraw/zinc/24/92/68/296249268.db2.gz GDADOVZJTHAUAO-UHFFFAOYSA-N 1 3 305.466 2.580 20 0 DFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C)o3)CC2)CC1 ZINC000421368169 296249269 /nfs/dbraw/zinc/24/92/69/296249269.db2.gz GDADOVZJTHAUAO-UHFFFAOYSA-N 1 3 305.466 2.580 20 0 DFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C)o3)CC2)CC1 ZINC000421368169 296249270 /nfs/dbraw/zinc/24/92/70/296249270.db2.gz GDADOVZJTHAUAO-UHFFFAOYSA-N 1 3 305.466 2.580 20 0 DFADHO C[NH+](C)C1CCC(NCc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000421376931 296250360 /nfs/dbraw/zinc/25/03/60/296250360.db2.gz SAMPXPJWSQDVJN-PIMMBPRGSA-N 1 3 309.479 2.957 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCOC1 ZINC000344587501 284653407 /nfs/dbraw/zinc/65/34/07/284653407.db2.gz IGPBAUHBQIUABM-SJLPKXTDSA-N 1 3 306.450 2.532 20 0 DFADHO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000344685294 284670369 /nfs/dbraw/zinc/67/03/69/284670369.db2.gz QNACRPOODYSCOU-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000271870451 209283353 /nfs/dbraw/zinc/28/33/53/209283353.db2.gz MONNNRRYVZIXFM-MRXNPFEDSA-N 1 3 304.478 2.789 20 0 DFADHO C[C@@H]([NH2+]CCCC1(O)CCC1)c1cccc(OCCN(C)C)c1 ZINC000421855511 296278069 /nfs/dbraw/zinc/27/80/69/296278069.db2.gz MEVSNAGSKUVWHJ-MRXNPFEDSA-N 1 3 320.477 2.973 20 0 DFADHO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284510682 218059148 /nfs/dbraw/zinc/05/91/48/218059148.db2.gz YJFOWWAUCDFKOH-CABCVRRESA-N 1 3 306.450 2.673 20 0 DFADHO CN1CC[C@H]([NH2+]CCCN2CCc3ccccc3C2)CC1(C)C ZINC000623347530 399368084 /nfs/dbraw/zinc/36/80/84/399368084.db2.gz CUQXRAQBNWSCPJ-IBGZPJMESA-N 1 3 315.505 2.897 20 0 DFADHO CN(C)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363188 399372577 /nfs/dbraw/zinc/37/25/77/399372577.db2.gz FBEAKYVIFVHKHT-SJORKVTESA-N 1 3 307.457 2.891 20 0 DFADHO CN(C)[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363188 399372578 /nfs/dbraw/zinc/37/25/78/399372578.db2.gz FBEAKYVIFVHKHT-SJORKVTESA-N 1 3 307.457 2.891 20 0 DFADHO CN(C)[C@@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363188 399372579 /nfs/dbraw/zinc/37/25/79/399372579.db2.gz FBEAKYVIFVHKHT-SJORKVTESA-N 1 3 307.457 2.891 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)c1ccccc1 ZINC000106429002 194212876 /nfs/dbraw/zinc/21/28/76/194212876.db2.gz GUVWJGJUHGYDKX-ZWKOTPCHSA-N 1 3 319.493 2.772 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc3n[nH]cc32)C[C@H](C)O1 ZINC000623425312 399386723 /nfs/dbraw/zinc/38/67/23/399386723.db2.gz XWIIMHAJRQTTEE-GASCZTMLSA-N 1 3 316.449 2.542 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccncc2Cl)C[C@@H](C)O1 ZINC000623424983 399386761 /nfs/dbraw/zinc/38/67/61/399386761.db2.gz MYAWHKVJPBTZQK-ZIAGYGMSSA-N 1 3 311.857 2.714 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H](N)Cc2ccccc2)[C@H]1C ZINC000602024058 399386766 /nfs/dbraw/zinc/38/67/66/399386766.db2.gz ZOXRSODMAORCMU-OWLYRPNTSA-N 1 3 318.461 2.514 20 0 DFADHO CC(C)[C@@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC000109627278 194279123 /nfs/dbraw/zinc/27/91/23/194279123.db2.gz APAZRCAEGXDICS-RDJZCZTQSA-N 1 3 319.493 2.818 20 0 DFADHO CC[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000268898158 207066029 /nfs/dbraw/zinc/06/60/29/207066029.db2.gz BBYQWMDZCYEUFM-HOTGVXAUSA-N 1 3 308.466 2.686 20 0 DFADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000422625043 296316531 /nfs/dbraw/zinc/31/65/31/296316531.db2.gz AKGJGJGMTNNTLF-MGPQQGTHSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1CN ZINC000422625043 296316532 /nfs/dbraw/zinc/31/65/32/296316532.db2.gz AKGJGJGMTNNTLF-MGPQQGTHSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1CN ZINC000422625043 296316534 /nfs/dbraw/zinc/31/65/34/296316534.db2.gz AKGJGJGMTNNTLF-MGPQQGTHSA-N 1 3 323.868 2.974 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCCNc1ccccn1 ZINC000422701770 296318536 /nfs/dbraw/zinc/31/85/36/296318536.db2.gz JFPUTRGRUJSALV-AWEZNQCLSA-N 1 3 313.449 2.787 20 0 DFADHO CN1CC[C@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623511072 399405263 /nfs/dbraw/zinc/40/52/63/399405263.db2.gz YZUYLXQFQJOIPC-MOPGFXCFSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])N1CCc2sccc2C1 ZINC000422707588 296319219 /nfs/dbraw/zinc/31/92/19/296319219.db2.gz AMYNXHBRSBOMAF-FVQBIDKESA-N 1 3 307.507 2.744 20 0 DFADHO COc1ccc(CCN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1F ZINC000422714607 296320443 /nfs/dbraw/zinc/32/04/43/296320443.db2.gz RDVJSSWZNNMOKF-RDTXWAMCSA-N 1 3 316.420 2.925 20 0 DFADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CN)N1CCc2ccccc2C1 ZINC000422709965 296319837 /nfs/dbraw/zinc/31/98/37/296319837.db2.gz ZZWWFQKFKNOPRR-WMZOPIPTSA-N 1 3 301.478 2.540 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000268962757 207126813 /nfs/dbraw/zinc/12/68/13/207126813.db2.gz JLODVSKFWRVKHW-QGZVFWFLSA-N 1 3 318.461 2.818 20 0 DFADHO Cc1[nH]c2ccc(CN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2c1C ZINC000422721808 296321810 /nfs/dbraw/zinc/32/18/10/296321810.db2.gz OIXZHEMROUWYJD-JCURWCKSSA-N 1 3 301.434 2.627 20 0 DFADHO N[C@H]1CCCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000422726150 296322201 /nfs/dbraw/zinc/32/22/01/296322201.db2.gz DGHHXZPXSVTBHB-RBUKOAKNSA-N 1 3 301.478 2.901 20 0 DFADHO CN1C[C@@H](C[NH2+][C@H]2CCN(C)C(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000623557585 399415960 /nfs/dbraw/zinc/41/59/60/399415960.db2.gz BFURHOLEIOMOJK-QYZOEREBSA-N 1 3 315.505 2.794 20 0 DFADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(NCc2cccc3[nH]ccc32)CC1 ZINC000268988917 207147766 /nfs/dbraw/zinc/14/77/66/207147766.db2.gz UWJVNLSEZFMZTH-RTBURBONSA-N 1 3 313.445 2.635 20 0 DFADHO Cn1nccc1-c1ccccc1CNC[C@H]1CCCC[N@H+](C)C1 ZINC000623657600 399436464 /nfs/dbraw/zinc/43/64/64/399436464.db2.gz VDXLMUPLNJVCCJ-MRXNPFEDSA-N 1 3 312.461 2.909 20 0 DFADHO Cn1nccc1-c1ccccc1CNC[C@H]1CCCC[N@@H+](C)C1 ZINC000623657600 399436468 /nfs/dbraw/zinc/43/64/68/399436468.db2.gz VDXLMUPLNJVCCJ-MRXNPFEDSA-N 1 3 312.461 2.909 20 0 DFADHO Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623657600 399436471 /nfs/dbraw/zinc/43/64/71/399436471.db2.gz VDXLMUPLNJVCCJ-MRXNPFEDSA-N 1 3 312.461 2.909 20 0 DFADHO Cn1cc(C[NH2+]C[C@H]2CCCCN(C)C2)c(-c2cccs2)n1 ZINC000623657731 399438168 /nfs/dbraw/zinc/43/81/68/399438168.db2.gz XQDBKTVQOVXMNV-CQSZACIVSA-N 1 3 318.490 2.970 20 0 DFADHO COc1ccc(CN2CCC(C[NH3+])CC2)cc1OCC(C)C ZINC000346683076 284925222 /nfs/dbraw/zinc/92/52/22/284925222.db2.gz FOHHSUUIDROETN-UHFFFAOYSA-N 1 3 306.450 2.901 20 0 DFADHO C[C@@H](c1ccccc1)N1CC[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422738368 296323974 /nfs/dbraw/zinc/32/39/74/296323974.db2.gz JOUZQFDAHHQXDH-NEPXVJNWSA-N 1 3 301.478 2.800 20 0 DFADHO C[C@@H](NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422737584 296324080 /nfs/dbraw/zinc/32/40/80/296324080.db2.gz ZXKTZIGTATWQIH-NEWSRXKRSA-N 1 3 301.478 2.944 20 0 DFADHO c1cc2c(s1)CCN(CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422744865 296325194 /nfs/dbraw/zinc/32/51/94/296325194.db2.gz WRYKPXXAZVSNRH-BRWVUGGUSA-N 1 3 319.518 2.617 20 0 DFADHO OCc1cccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422743148 296324843 /nfs/dbraw/zinc/32/48/43/296324843.db2.gz QZAFIRPKIVHYQR-QUCCMNQESA-N 1 3 324.424 2.524 20 0 DFADHO CC[C@H](NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422747148 296325654 /nfs/dbraw/zinc/32/56/54/296325654.db2.gz YAUIVVAGUWOURO-FHWLQOOXSA-N 1 3 301.478 2.771 20 0 DFADHO CCc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422750372 296326078 /nfs/dbraw/zinc/32/60/78/296326078.db2.gz CZCZAOSLWDBINA-GBESFXJTSA-N 1 3 302.462 2.538 20 0 DFADHO c1ccc(SCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422750396 296326252 /nfs/dbraw/zinc/32/62/52/296326252.db2.gz DATQBZOXVYZIES-RCCFBDPRSA-N 1 3 320.502 2.916 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cccc(C(F)(F)F)c1 ZINC000422751761 296326455 /nfs/dbraw/zinc/32/64/55/296326455.db2.gz CWRLEDOUXGMOSO-BPNCWPANSA-N 1 3 302.340 2.547 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000422755253 296327322 /nfs/dbraw/zinc/32/73/22/296327322.db2.gz GMTAPDUGUVQCBE-XIRDDKMYSA-N 1 3 305.441 2.820 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422755253 296327323 /nfs/dbraw/zinc/32/73/23/296327323.db2.gz GMTAPDUGUVQCBE-XIRDDKMYSA-N 1 3 305.441 2.820 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422759736 296328224 /nfs/dbraw/zinc/32/82/24/296328224.db2.gz LGJWPLYDWFEUQJ-MAZHCROVSA-N 1 3 312.454 2.650 20 0 DFADHO Clc1cccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422763298 296328987 /nfs/dbraw/zinc/32/89/87/296328987.db2.gz NDWGGLYIIGNCLX-GVDBMIGSSA-N 1 3 308.853 2.629 20 0 DFADHO COc1ccc([C@@H](CN[C@@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000422760594 296328509 /nfs/dbraw/zinc/32/85/09/296328509.db2.gz QILPCFNZKBMEMK-IEBWSBKVSA-N 1 3 317.477 2.564 20 0 DFADHO COc1ccc(OC)c(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422761097 296328566 /nfs/dbraw/zinc/32/85/66/296328566.db2.gz MMJJOHNAOKJDOQ-ZWKOTPCHSA-N 1 3 312.413 2.981 20 0 DFADHO COc1ccc(OC)c(CC[NH2+][C@@H]2C[C@H](N)c3ccccc32)c1 ZINC000422761097 296328567 /nfs/dbraw/zinc/32/85/67/296328567.db2.gz MMJJOHNAOKJDOQ-ZWKOTPCHSA-N 1 3 312.413 2.981 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCn1cnc2ccccc21 ZINC000422765312 296329407 /nfs/dbraw/zinc/32/94/07/296329407.db2.gz QTNQUWJPEQVMTK-ZDUSSCGKSA-N 1 3 309.417 2.549 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2cccc(Cl)c2)CC1 ZINC000422767948 296329553 /nfs/dbraw/zinc/32/95/53/296329553.db2.gz NJNFYQCBJAEGCP-RCBQFDQVSA-N 1 3 308.853 2.714 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422767948 296329554 /nfs/dbraw/zinc/32/95/54/296329554.db2.gz NJNFYQCBJAEGCP-RCBQFDQVSA-N 1 3 308.853 2.714 20 0 DFADHO Fc1cc(Br)ccc1CCC[NH2+]C1CCNCC1 ZINC000422767071 296329572 /nfs/dbraw/zinc/32/95/72/296329572.db2.gz SFUKKPAHRRMSDV-UHFFFAOYSA-N 1 3 315.230 2.862 20 0 DFADHO Fc1cc(Br)ccc1CCCNC1CC[NH2+]CC1 ZINC000422767071 296329575 /nfs/dbraw/zinc/32/95/75/296329575.db2.gz SFUKKPAHRRMSDV-UHFFFAOYSA-N 1 3 315.230 2.862 20 0 DFADHO CC(C)(C)C[C@H](O)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422767053 296329634 /nfs/dbraw/zinc/32/96/34/296329634.db2.gz SDTWHBUCESZYIV-QOKNQOGYSA-N 1 3 318.461 2.629 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422770815 296330382 /nfs/dbraw/zinc/33/03/82/296330382.db2.gz XHUHAEGOKBSHHL-ZVZYQTTQSA-N 1 3 305.441 2.902 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422770815 296330383 /nfs/dbraw/zinc/33/03/83/296330383.db2.gz XHUHAEGOKBSHHL-ZVZYQTTQSA-N 1 3 305.441 2.902 20 0 DFADHO COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@@H]3CN)C2)c1 ZINC000422770774 296330387 /nfs/dbraw/zinc/33/03/87/296330387.db2.gz XFWHBVFVGNLYHZ-JTDSTZFVSA-N 1 3 317.477 2.771 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@@H]3CCCC[C@@H]3C[NH3+])C2)c1 ZINC000422770774 296330388 /nfs/dbraw/zinc/33/03/88/296330388.db2.gz XFWHBVFVGNLYHZ-JTDSTZFVSA-N 1 3 317.477 2.771 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422770814 296330402 /nfs/dbraw/zinc/33/04/02/296330402.db2.gz XHUHAEGOKBSHHL-YXJHDRRASA-N 1 3 305.441 2.902 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422770814 296330403 /nfs/dbraw/zinc/33/04/03/296330403.db2.gz XHUHAEGOKBSHHL-YXJHDRRASA-N 1 3 305.441 2.902 20 0 DFADHO COc1ccc([C@H](C)CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)cc1 ZINC000422776076 296331032 /nfs/dbraw/zinc/33/10/32/296331032.db2.gz CCANNDZMOVBZGV-KJWYOANISA-N 1 3 306.450 2.531 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000422773208 296330599 /nfs/dbraw/zinc/33/05/99/296330599.db2.gz ZLVVCIDBQLBQAH-XIRDDKMYSA-N 1 3 317.502 2.899 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](c1cccs1)N(C)C ZINC000422773208 296330600 /nfs/dbraw/zinc/33/06/00/296330600.db2.gz ZLVVCIDBQLBQAH-XIRDDKMYSA-N 1 3 317.502 2.899 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@@H]1CCCCO1 ZINC000623888954 399487648 /nfs/dbraw/zinc/48/76/48/399487648.db2.gz ZTCOTPZPAIJXNB-LPHOPBHVSA-N 1 3 320.477 2.717 20 0 DFADHO CC(C)CCOCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422779817 296331688 /nfs/dbraw/zinc/33/16/88/296331688.db2.gz JFNIBRONXHBEEH-MJGOQNOKSA-N 1 3 318.461 2.895 20 0 DFADHO CC(C)CCOCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422779818 296331717 /nfs/dbraw/zinc/33/17/17/296331717.db2.gz JFNIBRONXHBEEH-PKOBYXMFSA-N 1 3 318.461 2.895 20 0 DFADHO CCCCOCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422789828 296333111 /nfs/dbraw/zinc/33/31/11/296333111.db2.gz WZLAWSDYQBUNEQ-SJLPKXTDSA-N 1 3 304.434 2.649 20 0 DFADHO Cc1ccccc1O[C@H](C)CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422796790 296334585 /nfs/dbraw/zinc/33/45/85/296334585.db2.gz ZBDWYFGZUMUACT-BRSBDYLESA-N 1 3 318.461 2.509 20 0 DFADHO CSCC[C@@H](N[C@@H](C)CCCC[NH3+])c1nnc2ccccn21 ZINC000422794496 296334144 /nfs/dbraw/zinc/33/41/44/296334144.db2.gz GUCRIKLXRHITHV-UONOGXRCSA-N 1 3 321.494 2.631 20 0 DFADHO CC[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422801467 296335515 /nfs/dbraw/zinc/33/55/15/296335515.db2.gz BZKJSABIYSSHRS-KFKAGJAMSA-N 1 3 301.478 2.553 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422800032 296335256 /nfs/dbraw/zinc/33/52/56/296335256.db2.gz ZDZREKCNCJTOCU-HZPDHXFCSA-N 1 3 316.445 2.739 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCN1CCc2ccccc2C1 ZINC000422804734 296336167 /nfs/dbraw/zinc/33/61/67/296336167.db2.gz LAUINVMCAFKGPC-HNNXBMFYSA-N 1 3 324.472 2.558 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1CCc2ccccc21 ZINC000422806558 296336767 /nfs/dbraw/zinc/33/67/67/296336767.db2.gz NPXJJGFSMNPJNO-PXNSSMCTSA-N 1 3 323.484 2.987 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cc(N(C)C)nc2ccccc12 ZINC000422807330 296336605 /nfs/dbraw/zinc/33/66/05/296336605.db2.gz MHJWQFNBFZKMLZ-RHSMWYFYSA-N 1 3 312.461 2.779 20 0 DFADHO CC(C)N1CCN(C2CC[NH+](CC3CC(C)(C)C3)CC2)CC1 ZINC000625276252 399505197 /nfs/dbraw/zinc/50/51/97/399505197.db2.gz MILFFQPZFAGXPT-UHFFFAOYSA-N 1 3 307.526 2.913 20 0 DFADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)N1CCc2ccccc2C1 ZINC000422812576 296337488 /nfs/dbraw/zinc/33/74/88/296337488.db2.gz WOVUDKOBNYWXLM-DFQSSKMNSA-N 1 3 315.505 2.930 20 0 DFADHO CC(C)(CN[C@@H]1CCCCC[C@@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000422819823 296338984 /nfs/dbraw/zinc/33/89/84/296338984.db2.gz IYTPTQNYVMTXKK-JKSUJKDBSA-N 1 3 318.461 2.985 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000422830471 296340979 /nfs/dbraw/zinc/34/09/79/296340979.db2.gz IGHJSQKYEALYDC-BHIYHBOVSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000422830472 296341010 /nfs/dbraw/zinc/34/10/10/296341010.db2.gz IGHJSQKYEALYDC-NEWSRXKRSA-N 1 3 301.478 2.629 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)Cc1ccccc1 ZINC000422829494 296340577 /nfs/dbraw/zinc/34/05/77/296340577.db2.gz HPBRERQHLPYHJT-YTQUADARSA-N 1 3 303.494 2.527 20 0 DFADHO CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC000631846260 399508416 /nfs/dbraw/zinc/50/84/16/399508416.db2.gz XDALDECUCXIOJU-HOTGVXAUSA-N 1 3 319.840 2.788 20 0 DFADHO CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC000631846260 399508420 /nfs/dbraw/zinc/50/84/20/399508420.db2.gz XDALDECUCXIOJU-HOTGVXAUSA-N 1 3 319.840 2.788 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422833733 296341452 /nfs/dbraw/zinc/34/14/52/296341452.db2.gz MUVUISYXLVYQJV-FGTMMUONSA-N 1 3 302.462 2.711 20 0 DFADHO N[C@H]1CCCCC[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422844130 296343398 /nfs/dbraw/zinc/34/33/98/296343398.db2.gz KXKNIORKAKQINU-PMACEKPBSA-N 1 3 315.505 2.943 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC(=O)N1CCCCCC1 ZINC000422843009 296343024 /nfs/dbraw/zinc/34/30/24/296343024.db2.gz GRFAUNPOVXRLJT-SJORKVTESA-N 1 3 309.498 2.680 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(CC(F)(F)F)CC1 ZINC000422854534 296345240 /nfs/dbraw/zinc/34/52/40/296345240.db2.gz AZGYVBOQPSVSNB-UKRRQHHQSA-N 1 3 321.431 2.914 20 0 DFADHO C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1cnccc1N ZINC000422852241 296344900 /nfs/dbraw/zinc/34/49/00/296344900.db2.gz XSZJYBBZCUONSK-MRXNPFEDSA-N 1 3 324.472 2.852 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422852223 296344902 /nfs/dbraw/zinc/34/49/02/296344902.db2.gz XRXBBPOAQBTKIR-FUHWJXTLSA-N 1 3 302.462 2.713 20 0 DFADHO CSCc1cc(F)ccc1CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422860647 296346383 /nfs/dbraw/zinc/34/63/83/296346383.db2.gz INKWCTXJQSNKRZ-IUIKQTSFSA-N 1 3 312.454 2.531 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@H]2CCNCC[C@H]2C)cc1OC ZINC000422864775 296346863 /nfs/dbraw/zinc/34/68/63/296346863.db2.gz VZHCHQHSXUYIBN-ZBFHGGJFSA-N 1 3 320.477 2.959 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(c2ccccn2)CC1 ZINC000422866818 296347197 /nfs/dbraw/zinc/34/71/97/296347197.db2.gz QZKAQDMCVIPKDK-LPHOPBHVSA-N 1 3 324.472 2.599 20 0 DFADHO CC(C)[NH+](CCCNC(=O)[C@H](C)N1CCCCCC1)C(C)C ZINC000347381472 285022165 /nfs/dbraw/zinc/02/21/65/285022165.db2.gz LFSJIVUAMSEIAH-KRWDZBQOSA-N 1 3 311.514 2.876 20 0 DFADHO CC[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)[C@@H]1CCCCN1 ZINC000422879084 296349314 /nfs/dbraw/zinc/34/93/14/296349314.db2.gz UKSLUBAWWFUYLX-KBMXLJTQSA-N 1 3 322.884 2.824 20 0 DFADHO COc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])c(C(F)(F)F)c1 ZINC000422877214 296348925 /nfs/dbraw/zinc/34/89/25/296348925.db2.gz HJGAFPUSVRTDBH-YGRLFVJLSA-N 1 3 302.340 2.931 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884010 296350212 /nfs/dbraw/zinc/35/02/12/296350212.db2.gz RGEGOBQEBICDOX-XHSDSOJGSA-N 1 3 318.509 2.867 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884010 296350213 /nfs/dbraw/zinc/35/02/13/296350213.db2.gz RGEGOBQEBICDOX-XHSDSOJGSA-N 1 3 318.509 2.867 20 0 DFADHO Cc1ccccc1C1(CN[C@@H]2C[NH2+]CC[C@@H]2C)CCOCC1 ZINC000422883640 296350241 /nfs/dbraw/zinc/35/02/41/296350241.db2.gz VIHPRDIBUKXLCB-FUHWJXTLSA-N 1 3 302.462 2.631 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])N2CCCC2)o1 ZINC000422885391 296350482 /nfs/dbraw/zinc/35/04/82/296350482.db2.gz YLRDWUNRFZGZJB-ULQDDVLXSA-N 1 3 305.466 2.975 20 0 DFADHO Cc1ccc([C@H](C[NH2+][C@H]2CCCCC[C@@H]2N)N2CCCC2)o1 ZINC000422885391 296350483 /nfs/dbraw/zinc/35/04/83/296350483.db2.gz YLRDWUNRFZGZJB-ULQDDVLXSA-N 1 3 305.466 2.975 20 0 DFADHO COc1ccc(CCN[C@H]2CCC[NH2+]CC2)cc1OC(F)F ZINC000422881142 296349714 /nfs/dbraw/zinc/34/97/14/296349714.db2.gz PNZOLYCCHUCUEV-ZDUSSCGKSA-N 1 3 314.376 2.571 20 0 DFADHO COc1ccc(CC[NH2+][C@H]2CCCNCC2)cc1OC(F)F ZINC000422881142 296349715 /nfs/dbraw/zinc/34/97/15/296349715.db2.gz PNZOLYCCHUCUEV-ZDUSSCGKSA-N 1 3 314.376 2.571 20 0 DFADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cccc(OCCN(C)C)c1 ZINC000119631746 195005881 /nfs/dbraw/zinc/00/58/81/195005881.db2.gz FLFUZMHOKSKVDT-YQQAZPJKSA-N 1 3 306.450 2.703 20 0 DFADHO C[C@@H](NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422902675 296353312 /nfs/dbraw/zinc/35/33/12/296353312.db2.gz UXUMDLNGNJFPSF-VKJFTORMSA-N 1 3 305.441 2.772 20 0 DFADHO C[C@@H](NCCc1ccc(OC(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000422894842 296352286 /nfs/dbraw/zinc/35/22/86/296352286.db2.gz UPUDHKCVTAERMS-YPMHNXCESA-N 1 3 302.340 2.715 20 0 DFADHO CCc1nc(CCN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])cs1 ZINC000422897628 296352395 /nfs/dbraw/zinc/35/23/95/296352395.db2.gz CJUOCQDFCXSPIF-BBRMVZONSA-N 1 3 303.475 2.796 20 0 DFADHO CC[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@@H]1CCCCN1 ZINC000422896799 296352423 /nfs/dbraw/zinc/35/24/23/296352423.db2.gz IPCWRHBIKMLARH-OALUTQOASA-N 1 3 316.493 2.556 20 0 DFADHO CC[C@H](NC1CCN(Cc2ccccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422896799 296352424 /nfs/dbraw/zinc/35/24/24/296352424.db2.gz IPCWRHBIKMLARH-OALUTQOASA-N 1 3 316.493 2.556 20 0 DFADHO CCc1nc(CCN[C@H](Cc2ccccc2)[C@H](C)[NH3+])cs1 ZINC000422897731 296352542 /nfs/dbraw/zinc/35/25/42/296352542.db2.gz CJUOCQDFCXSPIF-XJKSGUPXSA-N 1 3 303.475 2.796 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@@H]1CCCCN1 ZINC000422896798 296352572 /nfs/dbraw/zinc/35/25/72/296352572.db2.gz IPCWRHBIKMLARH-MOPGFXCFSA-N 1 3 316.493 2.556 20 0 DFADHO CC[C@@H](NC1CCN(Cc2ccccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422896798 296352573 /nfs/dbraw/zinc/35/25/73/296352573.db2.gz IPCWRHBIKMLARH-MOPGFXCFSA-N 1 3 316.493 2.556 20 0 DFADHO CC[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@H]1CCCCN1 ZINC000422896800 296352596 /nfs/dbraw/zinc/35/25/96/296352596.db2.gz IPCWRHBIKMLARH-RBUKOAKNSA-N 1 3 316.493 2.556 20 0 DFADHO CC[C@H](NC1CCN(Cc2ccccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422896800 296352597 /nfs/dbraw/zinc/35/25/97/296352597.db2.gz IPCWRHBIKMLARH-RBUKOAKNSA-N 1 3 316.493 2.556 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000422907244 296354253 /nfs/dbraw/zinc/35/42/53/296354253.db2.gz LFCFABODVKURDI-CABCVRRESA-N 1 3 323.868 2.659 20 0 DFADHO C[C@H](NCC1(c2ccc3c(c2)OCO3)CCCCC1)C1C[NH2+]C1 ZINC000422905474 296354368 /nfs/dbraw/zinc/35/43/68/296354368.db2.gz ZDMNLRGHJYDQCN-AWEZNQCLSA-N 1 3 316.445 2.815 20 0 DFADHO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1)C1CNC1 ZINC000422905474 296354370 /nfs/dbraw/zinc/35/43/70/296354370.db2.gz ZDMNLRGHJYDQCN-AWEZNQCLSA-N 1 3 316.445 2.815 20 0 DFADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000422908679 296354529 /nfs/dbraw/zinc/35/45/29/296354529.db2.gz YYRKLDDVOSZGOQ-JKSUJKDBSA-N 1 3 302.397 2.761 20 0 DFADHO CCN1CCN(Cc2ccc(N[C@@H](C)CCCC[NH3+])cc2)CC1 ZINC000422916257 296355263 /nfs/dbraw/zinc/35/52/63/296355263.db2.gz DCTCYLXWWIORLC-KRWDZBQOSA-N 1 3 318.509 2.754 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1nc(-c2ccncc2)cs1 ZINC000422914592 296355322 /nfs/dbraw/zinc/35/53/22/296355322.db2.gz UVZWDZMJSMKGGS-UKRRQHHQSA-N 1 3 316.474 2.725 20 0 DFADHO Cc1cccc(NCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422919866 296355549 /nfs/dbraw/zinc/35/55/49/296355549.db2.gz LCCFPTQCBFAKEH-BRWVUGGUSA-N 1 3 302.466 2.702 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422926753 296355981 /nfs/dbraw/zinc/35/59/81/296355981.db2.gz DVGSTILNHRGYAK-JQHSSLGASA-N 1 3 302.462 2.741 20 0 DFADHO C[C@@H](NC[C@H]1CCCCN1Cc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000422910506 296354952 /nfs/dbraw/zinc/35/49/52/296354952.db2.gz QVCDVEGHNFEHEM-RDTXWAMCSA-N 1 3 321.896 2.892 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1nc2ccccc2n1C(F)F ZINC000422912606 296355011 /nfs/dbraw/zinc/35/50/11/296355011.db2.gz NNSXQYHMOQYGKV-STQMWFEESA-N 1 3 322.403 2.952 20 0 DFADHO CCc1cccc2c(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)c[nH]c21 ZINC000422915179 296355155 /nfs/dbraw/zinc/35/51/55/296355155.db2.gz XLXFQNPAMBYMJD-JEBQAFNWSA-N 1 3 315.461 2.615 20 0 DFADHO C[C@H]1CC[NH2+]C[C@H]1NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000422942525 296358751 /nfs/dbraw/zinc/35/87/51/296358751.db2.gz KPHIHPOFWAVPPC-SWLSCSKDSA-N 1 3 309.841 2.646 20 0 DFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000347502003 285060762 /nfs/dbraw/zinc/06/07/62/285060762.db2.gz IKOUWNUMTFZMMT-GOSISDBHSA-N 1 3 315.461 2.674 20 0 DFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000347502003 285060763 /nfs/dbraw/zinc/06/07/63/285060763.db2.gz IKOUWNUMTFZMMT-GOSISDBHSA-N 1 3 315.461 2.674 20 0 DFADHO CC(C)[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000422935689 296357460 /nfs/dbraw/zinc/35/74/60/296357460.db2.gz HKQKJQLOFFYEKG-KPFFTGBYSA-N 1 3 315.505 2.657 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422947902 296359400 /nfs/dbraw/zinc/35/94/00/296359400.db2.gz QTMFQWVWEVTSMI-IUODEOHRSA-N 1 3 309.841 2.776 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000422951487 296359986 /nfs/dbraw/zinc/35/99/86/296359986.db2.gz YTEYEXMBOCHSFN-BBRMVZONSA-N 1 3 303.381 2.740 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422951487 296359987 /nfs/dbraw/zinc/35/99/87/296359987.db2.gz YTEYEXMBOCHSFN-BBRMVZONSA-N 1 3 303.381 2.740 20 0 DFADHO C[C@H](NCC1(c2ccc(Cl)cc2)CCOCC1)C1C[NH2+]C1 ZINC000422949391 296359658 /nfs/dbraw/zinc/35/96/58/296359658.db2.gz TYSCTIYCKWUSOH-ZDUSSCGKSA-N 1 3 308.853 2.586 20 0 DFADHO C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C1CNC1 ZINC000422949391 296359660 /nfs/dbraw/zinc/35/96/60/296359660.db2.gz TYSCTIYCKWUSOH-ZDUSSCGKSA-N 1 3 308.853 2.586 20 0 DFADHO CC[C@](CN[C@H]1CC[N@H+](C)[C@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000602695860 399524345 /nfs/dbraw/zinc/52/43/45/399524345.db2.gz PSJDZTZAPDRRLQ-HHXXYDBFSA-N 1 3 318.461 2.580 20 0 DFADHO CC[C@](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000602695860 399524349 /nfs/dbraw/zinc/52/43/49/399524349.db2.gz PSJDZTZAPDRRLQ-HHXXYDBFSA-N 1 3 318.461 2.580 20 0 DFADHO C[C@H](Nc1cccc(CN2CCSCC2)c1)[C@H]1CCC[NH2+]1 ZINC000422958940 296361104 /nfs/dbraw/zinc/36/11/04/296361104.db2.gz ZPUSFXFEAQQBIB-WMLDXEAASA-N 1 3 305.491 2.788 20 0 DFADHO Cc1noc(C)c1[C@H](C)CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422962026 296361303 /nfs/dbraw/zinc/36/13/03/296361303.db2.gz BRUPZQMFVGSTOH-IIYDPXPESA-N 1 3 301.434 2.943 20 0 DFADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2ccc(C)o2)CC[NH2+]CC1 ZINC000422961914 296361369 /nfs/dbraw/zinc/36/13/69/296361369.db2.gz DFWFRTXWTPHKMR-ZIAGYGMSSA-N 1 3 308.422 2.560 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCOc1ccccc1C(C)(C)C ZINC000422960464 296361505 /nfs/dbraw/zinc/36/15/05/296361505.db2.gz WMQHOCPCIFPBLC-UXLLHSPISA-N 1 3 320.477 2.705 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCCNc1cccc(Br)c1 ZINC000422963292 296361567 /nfs/dbraw/zinc/36/15/67/296361567.db2.gz IEWPKIILLVXMRE-BXUZGUMPSA-N 1 3 312.255 2.578 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000422963292 296361568 /nfs/dbraw/zinc/36/15/68/296361568.db2.gz IEWPKIILLVXMRE-BXUZGUMPSA-N 1 3 312.255 2.578 20 0 DFADHO c1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422963003 296361768 /nfs/dbraw/zinc/36/17/68/296361768.db2.gz DYMZFOOMRASONM-VPAKFMSCSA-N 1 3 300.446 2.679 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000422967059 296362745 /nfs/dbraw/zinc/36/27/45/296362745.db2.gz SDEHPSBLLSBYJJ-WBVHZDCISA-N 1 3 312.461 2.701 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000422967057 296362486 /nfs/dbraw/zinc/36/24/86/296362486.db2.gz SDEHPSBLLSBYJJ-NVXWUHKLSA-N 1 3 312.461 2.701 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000422991260 296364481 /nfs/dbraw/zinc/36/44/81/296364481.db2.gz AQYDNPMOQWSQNV-WBVHZDCISA-N 1 3 318.509 2.867 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000422991260 296364483 /nfs/dbraw/zinc/36/44/83/296364483.db2.gz AQYDNPMOQWSQNV-WBVHZDCISA-N 1 3 318.509 2.867 20 0 DFADHO N[C@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422992921 296364827 /nfs/dbraw/zinc/36/48/27/296364827.db2.gz SBUKHIDXVAEYCQ-QWHCGFSZSA-N 1 3 317.355 2.729 20 0 DFADHO Cc1cc(C[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])n(-c2ccccc2)n1 ZINC000423000584 296365969 /nfs/dbraw/zinc/36/59/69/296365969.db2.gz VQBHKDNJJFPCAK-ILXRZTDVSA-N 1 3 300.450 2.827 20 0 DFADHO Cc1cc(C[C@H](C)[NH2+][C@@H](C)C[C@@H](C)N)n(-c2ccccc2)n1 ZINC000423000584 296365970 /nfs/dbraw/zinc/36/59/70/296365970.db2.gz VQBHKDNJJFPCAK-ILXRZTDVSA-N 1 3 300.450 2.827 20 0 DFADHO CC(C)CN1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N ZINC000423005331 296366274 /nfs/dbraw/zinc/36/62/74/296366274.db2.gz RMPFAMLAMJEQSC-BHIYHBOVSA-N 1 3 303.494 2.655 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000422997691 296365540 /nfs/dbraw/zinc/36/55/40/296365540.db2.gz VKBDKSBXNLZXLF-QZTJIDSGSA-N 1 3 302.466 2.548 20 0 DFADHO COc1cccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423009629 296367191 /nfs/dbraw/zinc/36/71/91/296367191.db2.gz WBDNGVMRJNAWQS-GVDBMIGSSA-N 1 3 303.450 2.533 20 0 DFADHO CC[C@H]([NH2+]CCNc1cc(OC)cc(OC)c1)[C@@H]1CCCCN1 ZINC000423007480 296366500 /nfs/dbraw/zinc/36/65/00/296366500.db2.gz XUEGRKNOCNKROV-ROUUACIJSA-N 1 3 321.465 2.626 20 0 DFADHO CCO[C@@H](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000625384381 399539760 /nfs/dbraw/zinc/53/97/60/399539760.db2.gz MLOSUCPHDAVCMK-ZCNNSNEGSA-N 1 3 314.473 2.865 20 0 DFADHO CCO[C@@H](CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000625384381 399539761 /nfs/dbraw/zinc/53/97/61/399539761.db2.gz MLOSUCPHDAVCMK-ZCNNSNEGSA-N 1 3 314.473 2.865 20 0 DFADHO CCC(CC)(CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])C(=O)OC ZINC000423036034 296370280 /nfs/dbraw/zinc/37/02/80/296370280.db2.gz KOKTUYYGWWRUGT-GOEBONIOSA-N 1 3 306.450 2.514 20 0 DFADHO COc1ccccc1OC[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423029794 296369662 /nfs/dbraw/zinc/36/96/62/296369662.db2.gz VPLJTBJZNOUMPN-JZWPEALZSA-N 1 3 304.434 2.583 20 0 DFADHO COCC[C@H](Cc1ccco1)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000423028565 296369782 /nfs/dbraw/zinc/36/97/82/296369782.db2.gz GSEDGPRVBQPQPB-BVGQSLNGSA-N 1 3 300.402 2.962 20 0 DFADHO Clc1ccc(COCC[NH2+]C2CCNCC2)c(Cl)c1 ZINC000423030593 296369969 /nfs/dbraw/zinc/36/99/69/296369969.db2.gz TYQHXKKUDDKIAO-UHFFFAOYSA-N 1 3 303.233 2.852 20 0 DFADHO Fc1ccc(N2CC[C@@H](N[C@H]3CCC[NH2+]CC3)C2)cc1Cl ZINC000423037851 296370609 /nfs/dbraw/zinc/37/06/09/296370609.db2.gz CGMPXKUZEAXDAS-QWHCGFSZSA-N 1 3 311.832 2.790 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000423043969 296371429 /nfs/dbraw/zinc/37/14/29/296371429.db2.gz QGLYXVAQBJTVLV-PKOBYXMFSA-N 1 3 320.477 2.588 20 0 DFADHO Cn1cc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)c2ccc(F)cc21 ZINC000423049320 296372182 /nfs/dbraw/zinc/37/21/82/296372182.db2.gz JOENLDBRTOVDOE-CXAGYDPISA-N 1 3 303.425 2.967 20 0 DFADHO CCN(CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CCC(F)(F)F ZINC000423067881 296374422 /nfs/dbraw/zinc/37/44/22/296374422.db2.gz ALTMGCQLVLYVLP-RRFJBIMHSA-N 1 3 321.431 2.771 20 0 DFADHO Clc1ccc(N2CC[C@H]([NH2+]C3CCNCC3)C2)c(Cl)c1 ZINC000423064954 296374004 /nfs/dbraw/zinc/37/40/04/296374004.db2.gz AJBBNLBVSKADFY-ZDUSSCGKSA-N 1 3 314.260 2.914 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC[C@H]2CCCN2CC(F)F)CC1 ZINC000624095414 399551484 /nfs/dbraw/zinc/55/14/84/399551484.db2.gz CILJPGMXWSFTQQ-CQSZACIVSA-N 1 3 303.441 2.568 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCCN2CC(F)F)CC1 ZINC000624095414 399551489 /nfs/dbraw/zinc/55/14/89/399551489.db2.gz CILJPGMXWSFTQQ-CQSZACIVSA-N 1 3 303.441 2.568 20 0 DFADHO C[C@H](O)[C@](C)(CN[C@H]1CCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000423070160 296374845 /nfs/dbraw/zinc/37/48/45/296374845.db2.gz FQGSJQZOUMBNGU-WNHJNPCNSA-N 1 3 304.478 2.866 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCN1CCCC(C)(C)C1 ZINC000423085241 296376220 /nfs/dbraw/zinc/37/62/20/296376220.db2.gz JMLXNFXWLMLNNH-WMZOPIPTSA-N 1 3 303.494 2.657 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CCCC(C)(C)C1 ZINC000423085241 296376222 /nfs/dbraw/zinc/37/62/22/296376222.db2.gz JMLXNFXWLMLNNH-WMZOPIPTSA-N 1 3 303.494 2.657 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCCCOc1ccc(C(F)(F)F)cn1 ZINC000423082490 296375859 /nfs/dbraw/zinc/37/58/59/296375859.db2.gz WYYDYDPSZLINCJ-QWRGUYRKSA-N 1 3 305.344 2.585 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423082490 296375861 /nfs/dbraw/zinc/37/58/61/296375861.db2.gz WYYDYDPSZLINCJ-QWRGUYRKSA-N 1 3 305.344 2.585 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423091315 296377220 /nfs/dbraw/zinc/37/72/20/296377220.db2.gz ZWHQEIFKDRZZSH-LPHOPBHVSA-N 1 3 301.478 2.881 20 0 DFADHO Fc1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423096473 296377906 /nfs/dbraw/zinc/37/79/06/296377906.db2.gz OXVNAFMOVOJBNV-XFUTXVRSSA-N 1 3 318.436 2.818 20 0 DFADHO OCC1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC2(CCC2)C1 ZINC000423089250 296377278 /nfs/dbraw/zinc/37/72/78/296377278.db2.gz RVPYBIBIECYWQB-YESZJQIVSA-N 1 3 306.494 2.830 20 0 DFADHO CC[C@H](N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000423092613 296377506 /nfs/dbraw/zinc/37/75/06/296377506.db2.gz CQWALDHRQRRNIK-VSZNYVQBSA-N 1 3 321.509 2.678 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](CO)CC1CCCC1 ZINC000423099802 296378197 /nfs/dbraw/zinc/37/81/97/296378197.db2.gz MLZPFIHVOHOVIH-CZUORRHYSA-N 1 3 305.466 2.688 20 0 DFADHO CC(C)SCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423103288 296378569 /nfs/dbraw/zinc/37/85/69/296378569.db2.gz GGTRQFVTIFEMAE-DOTOQJQBSA-N 1 3 306.475 2.974 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120049 399559217 /nfs/dbraw/zinc/55/92/17/399559217.db2.gz QKTPLWNSEULUJI-GJZGRUSLSA-N 1 3 321.440 2.864 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624120049 399559220 /nfs/dbraw/zinc/55/92/20/399559220.db2.gz QKTPLWNSEULUJI-GJZGRUSLSA-N 1 3 321.440 2.864 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120049 399559225 /nfs/dbraw/zinc/55/92/25/399559225.db2.gz QKTPLWNSEULUJI-GJZGRUSLSA-N 1 3 321.440 2.864 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423102510 296378764 /nfs/dbraw/zinc/37/87/64/296378764.db2.gz WXWVIPGHGPZFCA-UKRRQHHQSA-N 1 3 316.367 2.887 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121452 399560514 /nfs/dbraw/zinc/56/05/14/399560514.db2.gz WUUGTLMBKWRPKT-CABCVRRESA-N 1 3 321.440 2.864 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121452 399560520 /nfs/dbraw/zinc/56/05/20/399560520.db2.gz WUUGTLMBKWRPKT-CABCVRRESA-N 1 3 321.440 2.864 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121452 399560526 /nfs/dbraw/zinc/56/05/26/399560526.db2.gz WUUGTLMBKWRPKT-CABCVRRESA-N 1 3 321.440 2.864 20 0 DFADHO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)c(C)c1 ZINC000423124363 296381545 /nfs/dbraw/zinc/38/15/45/296381545.db2.gz GIHZXVVHHXWHAZ-LZLYRXPVSA-N 1 3 304.478 2.923 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000423121514 296381018 /nfs/dbraw/zinc/38/10/18/296381018.db2.gz IPNLHDZSFLOSDZ-MJGOQNOKSA-N 1 3 319.493 2.808 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000423129516 296381771 /nfs/dbraw/zinc/38/17/71/296381771.db2.gz XEHSUENVCIMHKT-LRGNLBRXSA-N 1 3 324.468 2.701 20 0 DFADHO Fc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423136975 296383163 /nfs/dbraw/zinc/38/31/63/296383163.db2.gz VPRNCSMFIOVXND-CIRFHOKZSA-N 1 3 317.452 2.915 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1cccc(C(F)(F)F)n1 ZINC000423134391 296382479 /nfs/dbraw/zinc/38/24/79/296382479.db2.gz RSKOHLQJNIFSPQ-DGCLKSJQSA-N 1 3 301.356 2.621 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423140693 296383790 /nfs/dbraw/zinc/38/37/90/296383790.db2.gz ZEIDKPJUFABWMX-FZMZJTMJSA-N 1 3 301.356 2.750 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCc1cc(C(F)(F)F)ccn1 ZINC000423140693 296383793 /nfs/dbraw/zinc/38/37/93/296383793.db2.gz ZEIDKPJUFABWMX-FZMZJTMJSA-N 1 3 301.356 2.750 20 0 DFADHO COCCOCc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000423142020 296383807 /nfs/dbraw/zinc/38/38/07/296383807.db2.gz SYWUUGQNIITMIQ-QZTJIDSGSA-N 1 3 306.450 2.599 20 0 DFADHO C[C@@]1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423139003 296383457 /nfs/dbraw/zinc/38/34/57/296383457.db2.gz UUSFCPAMEGEEDC-CXQPBAHBSA-N 1 3 314.473 2.927 20 0 DFADHO CCCOc1c(OC)cc(CCN[C@H]2CCC[C@H]2[NH3+])cc1OC ZINC000423146358 296384675 /nfs/dbraw/zinc/38/46/75/296384675.db2.gz AIJCWHHBPVJOBE-CABCVRRESA-N 1 3 322.449 2.505 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000423147201 296385076 /nfs/dbraw/zinc/38/50/76/296385076.db2.gz CCYIRLFQYYWBEP-IAQYHMDHSA-N 1 3 300.805 2.965 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423147201 296385078 /nfs/dbraw/zinc/38/50/78/296385078.db2.gz CCYIRLFQYYWBEP-IAQYHMDHSA-N 1 3 300.805 2.965 20 0 DFADHO Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[C@@H](N)c3ccccc32)cc1C ZINC000423157352 296386055 /nfs/dbraw/zinc/38/60/55/296386055.db2.gz ANNTUHGEHZYZGO-AHRSYUTCSA-N 1 3 310.441 2.941 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000423163572 296387049 /nfs/dbraw/zinc/38/70/49/296387049.db2.gz MVGKBPCCPHOYAH-IYWMVGAKSA-N 1 3 316.489 2.717 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000423161343 296387081 /nfs/dbraw/zinc/38/70/81/296387081.db2.gz JAVWVBMHLOBXOK-WFASDCNBSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1cccc(Br)c1 ZINC000423161343 296387083 /nfs/dbraw/zinc/38/70/83/296387083.db2.gz JAVWVBMHLOBXOK-WFASDCNBSA-N 1 3 311.267 2.969 20 0 DFADHO COc1cccc2c1C[C@@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C2 ZINC000423166795 296387529 /nfs/dbraw/zinc/38/75/29/296387529.db2.gz DHEHONSEBMXAHJ-CJNGLKHVSA-N 1 3 311.429 2.675 20 0 DFADHO c1ncn2cc(C[NH2+][C@H]3CCN[C@H](c4ccccc4)C3)ccc12 ZINC000423165607 296387540 /nfs/dbraw/zinc/38/75/40/296387540.db2.gz BGWAXZMKAAJQDL-HKUYNNGSSA-N 1 3 306.413 2.917 20 0 DFADHO c1ncn2cc(CN[C@H]3CC[NH2+][C@H](c4ccccc4)C3)ccc12 ZINC000423165607 296387542 /nfs/dbraw/zinc/38/75/42/296387542.db2.gz BGWAXZMKAAJQDL-HKUYNNGSSA-N 1 3 306.413 2.917 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](CO)c1ccc(F)cc1 ZINC000423177283 296388623 /nfs/dbraw/zinc/38/86/23/296388623.db2.gz GYQSNZMPYZLWES-KYJSFNMBSA-N 1 3 308.441 2.802 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CS1 ZINC000423176901 296388664 /nfs/dbraw/zinc/38/86/64/296388664.db2.gz GNJVCPHICZZRQL-RMRKRWHISA-N 1 3 304.459 2.726 20 0 DFADHO C[C@H]1C[C@@H](NCCCN2CC[NH2+]CC2)c2ccsc2S1 ZINC000423183935 296389775 /nfs/dbraw/zinc/38/97/75/296389775.db2.gz SNEMDYJXFUTBFN-GXTWGEPZSA-N 1 3 311.520 2.558 20 0 DFADHO C[C@@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000157639237 197203390 /nfs/dbraw/zinc/20/33/90/197203390.db2.gz BLAKIKWWALVVLR-XHSDSOJGSA-N 1 3 308.466 2.685 20 0 DFADHO C[NH2+]CCCN[C@@H](C)Cc1ccc(F)cc1Br ZINC000423198953 296391581 /nfs/dbraw/zinc/39/15/81/296391581.db2.gz IURBFNADTFUTNW-JTQLQIEISA-N 1 3 303.219 2.718 20 0 DFADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OCCN(C)C)c1 ZINC000423206794 296392535 /nfs/dbraw/zinc/39/25/35/296392535.db2.gz DAIUIUIHMMEBKD-NAZJXLNTSA-N 1 3 317.477 2.561 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCNC2)c(C)c1OC ZINC000423206590 296392582 /nfs/dbraw/zinc/39/25/82/296392582.db2.gz GGCTVPZWZQQLFC-DZGCQCFKSA-N 1 3 306.450 2.532 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423206590 296392583 /nfs/dbraw/zinc/39/25/83/296392583.db2.gz GGCTVPZWZQQLFC-DZGCQCFKSA-N 1 3 306.450 2.532 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccsc1 ZINC000157404522 197185733 /nfs/dbraw/zinc/18/57/33/197185733.db2.gz MJHSWQPRJYDZAF-OAHLLOKOSA-N 1 3 324.494 2.628 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccsc1 ZINC000157404522 197185735 /nfs/dbraw/zinc/18/57/35/197185735.db2.gz MJHSWQPRJYDZAF-OAHLLOKOSA-N 1 3 324.494 2.628 20 0 DFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCCNC2)cc1OC ZINC000423220967 296394044 /nfs/dbraw/zinc/39/40/44/296394044.db2.gz YYUXACCSBYDFTG-RBSFLKMASA-N 1 3 306.450 2.785 20 0 DFADHO COc1cc(C)c(C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000423215849 296393328 /nfs/dbraw/zinc/39/33/28/296393328.db2.gz OZGXNOVYFMBXPN-JTUUTPGSSA-N 1 3 318.461 2.816 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCCNC2)cc1OC ZINC000423220964 296394127 /nfs/dbraw/zinc/39/41/27/296394127.db2.gz YYUXACCSBYDFTG-QLFBSQMISA-N 1 3 306.450 2.785 20 0 DFADHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1ncc(Br)cc1F ZINC000423245003 296396575 /nfs/dbraw/zinc/39/65/75/296396575.db2.gz IIQREGVBDLKOQM-VHSXEESVSA-N 1 3 316.218 2.633 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCC[C@H]2CN)cc1OC ZINC000423270277 296399335 /nfs/dbraw/zinc/39/93/35/296399335.db2.gz IAGDNKYWVCPEIL-OFQRWUPVSA-N 1 3 306.450 2.660 20 0 DFADHO C[C@H](CNCc1cn([C@@H]2CC[NH2+]C2)nn1)CC1CCCCC1 ZINC000629407027 399594972 /nfs/dbraw/zinc/59/49/72/399594972.db2.gz VRUNFNQSJWPARF-WMLDXEAASA-N 1 3 305.470 2.509 20 0 DFADHO COc1cc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1OC ZINC000423274220 296399480 /nfs/dbraw/zinc/39/94/80/296399480.db2.gz LRRIEKKQKQJCPQ-GUTXKFCHSA-N 1 3 322.449 2.881 20 0 DFADHO C[NH+](C)C1(CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)CCCC1 ZINC000423313236 296402863 /nfs/dbraw/zinc/40/28/63/296402863.db2.gz WOWZYWZEJNCKAW-INIZCTEOSA-N 1 3 317.477 2.703 20 0 DFADHO CC(C)(C)C1CCC(NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000629418844 399599012 /nfs/dbraw/zinc/59/90/12/399599012.db2.gz NJKMGALJFIWNSL-ZBCRRDGASA-N 1 3 305.470 2.507 20 0 DFADHO C[C@H]1C[C@H](C[NH2+]CC2=CCCOC2)CN1Cc1ccccc1 ZINC000120355978 195149672 /nfs/dbraw/zinc/14/96/72/195149672.db2.gz IBYUHPCGALODIJ-QFBILLFUSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@H]1C[C@H](CNCC2=CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000120355978 195149675 /nfs/dbraw/zinc/14/96/75/195149675.db2.gz IBYUHPCGALODIJ-QFBILLFUSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@H]1C[C@H](CNCC2=CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000120355978 195149677 /nfs/dbraw/zinc/14/96/77/195149677.db2.gz IBYUHPCGALODIJ-QFBILLFUSA-N 1 3 300.446 2.833 20 0 DFADHO Brc1cccc2c1CC[C@H]2NCC1=CC[NH2+]CC1 ZINC000423349821 296407339 /nfs/dbraw/zinc/40/73/39/296407339.db2.gz XQIKXYWZUKPAKZ-OAHLLOKOSA-N 1 3 307.235 2.946 20 0 DFADHO CCN1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000347882881 285223584 /nfs/dbraw/zinc/22/35/84/285223584.db2.gz VGPMJNZYIZOSMM-IHPCNDPISA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H]1C[C@H](C[NH2+]CC2=CCCOC2)CN1Cc1ccccc1 ZINC000120355838 195150181 /nfs/dbraw/zinc/15/01/81/195150181.db2.gz IBYUHPCGALODIJ-VQIMIIECSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@@H]1C[C@H](CNCC2=CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000120355838 195150183 /nfs/dbraw/zinc/15/01/83/195150183.db2.gz IBYUHPCGALODIJ-VQIMIIECSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@@H]1C[C@H](CNCC2=CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000120355838 195150184 /nfs/dbraw/zinc/15/01/84/195150184.db2.gz IBYUHPCGALODIJ-VQIMIIECSA-N 1 3 300.446 2.833 20 0 DFADHO COc1cc2nccc(NC3CC[NH+](C)CC3)c2cc1OC ZINC000298171589 533178571 /nfs/dbraw/zinc/17/85/71/533178571.db2.gz FVFVZQHBTAHPIB-UHFFFAOYSA-N 1 3 301.390 2.758 20 0 DFADHO CC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000423403166 296413143 /nfs/dbraw/zinc/41/31/43/296413143.db2.gz YZPSOUFQIKZWTC-YPMHNXCESA-N 1 3 321.412 2.625 20 0 DFADHO Cc1c([C@H](C)N[C@@H](C)CCCC[NH3+])nnn1-c1ccc(F)cc1 ZINC000423439446 296416820 /nfs/dbraw/zinc/41/68/20/296416820.db2.gz SHDPFASPYJTQDO-STQMWFEESA-N 1 3 319.428 2.883 20 0 DFADHO CC[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000423468125 296418832 /nfs/dbraw/zinc/41/88/32/296418832.db2.gz JKEVFJSNFIOOMC-JFRXWTBNSA-N 1 3 320.452 2.924 20 0 DFADHO C[C@@H](CCC[NH3+])N[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000423458269 296418113 /nfs/dbraw/zinc/41/81/13/296418113.db2.gz PXCVBUYUHIXVPZ-RYUDHWBXSA-N 1 3 307.829 2.699 20 0 DFADHO C[C@@H](NCCC(=O)N1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347940098 285258736 /nfs/dbraw/zinc/25/87/36/285258736.db2.gz XENLFRSMQURWND-SJORKVTESA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H](NCCC(=O)N1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347940098 285258739 /nfs/dbraw/zinc/25/87/39/285258739.db2.gz XENLFRSMQURWND-SJORKVTESA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000347940098 285258742 /nfs/dbraw/zinc/25/87/42/285258742.db2.gz XENLFRSMQURWND-SJORKVTESA-N 1 3 321.509 2.632 20 0 DFADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)CCO1 ZINC000423524224 296425900 /nfs/dbraw/zinc/42/59/00/296425900.db2.gz JBNPJGMMNICJQE-AVGKFFPGSA-N 1 3 306.494 2.933 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000624270416 399623277 /nfs/dbraw/zinc/62/32/77/399623277.db2.gz QOFXJAMPHBLNSU-QRQLOZEOSA-N 1 3 301.478 2.581 20 0 DFADHO Cc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1F ZINC000289559930 221067331 /nfs/dbraw/zinc/06/73/31/221067331.db2.gz YLHGLMBHKDOVGM-UHFFFAOYSA-N 1 3 319.468 2.594 20 0 DFADHO CCCN1CCC([NH2+]Cc2ccc(COCCOC)cc2)CC1 ZINC000289639794 221121618 /nfs/dbraw/zinc/12/16/18/221121618.db2.gz GZNZBYQZTQUSCR-UHFFFAOYSA-N 1 3 320.477 2.814 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000289720792 221177718 /nfs/dbraw/zinc/17/77/18/221177718.db2.gz JOYCDFSRVASQNI-HNNXBMFYSA-N 1 3 320.481 2.990 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000289720792 221177720 /nfs/dbraw/zinc/17/77/20/221177720.db2.gz JOYCDFSRVASQNI-HNNXBMFYSA-N 1 3 320.481 2.990 20 0 DFADHO Cc1cccc2c1C[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CO2 ZINC000629515262 399631246 /nfs/dbraw/zinc/63/12/46/399631246.db2.gz RERLMUXGFHLICM-CWLKWCNXSA-N 1 3 300.446 2.809 20 0 DFADHO FC(F)CN1CCC[C@@H]1CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000629518172 399632342 /nfs/dbraw/zinc/63/23/42/399632342.db2.gz FLYMPLHPVJFKFP-BBWFWOEESA-N 1 3 323.431 2.799 20 0 DFADHO FC(F)CN1CCC[C@@H]1CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000629518174 399632634 /nfs/dbraw/zinc/63/26/34/399632634.db2.gz FLYMPLHPVJFKFP-GVDBMIGSSA-N 1 3 323.431 2.799 20 0 DFADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000629520114 399633616 /nfs/dbraw/zinc/63/36/16/399633616.db2.gz DDHVGRVWDPHFSW-LLVKDONJSA-N 1 3 302.340 2.864 20 0 DFADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000629524675 399634827 /nfs/dbraw/zinc/63/48/27/399634827.db2.gz SRXXBZLDJIGGPU-LLVKDONJSA-N 1 3 302.340 2.864 20 0 DFADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1cccc(Br)c1 ZINC000629525235 399635666 /nfs/dbraw/zinc/63/56/66/399635666.db2.gz YXILREGZKMRKNY-NSHDSACASA-N 1 3 313.239 2.608 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000629528317 399636597 /nfs/dbraw/zinc/63/65/97/399636597.db2.gz WFWYWSZDAJYFRV-GDAAHCPNSA-N 1 3 301.478 2.770 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000289957024 221341531 /nfs/dbraw/zinc/34/15/31/221341531.db2.gz MPEPGYLLOVHISA-PMPSAXMXSA-N 1 3 323.506 2.635 20 0 DFADHO OCc1ccc(F)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000629532035 399637752 /nfs/dbraw/zinc/63/77/52/399637752.db2.gz JCAQWQBWVRHTLJ-JKSUJKDBSA-N 1 3 306.425 2.530 20 0 DFADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CC1 ZINC000629531411 399637972 /nfs/dbraw/zinc/63/79/72/399637972.db2.gz KDLIZZQNICXVIC-KFGODFMUSA-N 1 3 312.498 2.702 20 0 DFADHO c1n[nH]cc1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000289982717 221359692 /nfs/dbraw/zinc/35/96/92/221359692.db2.gz XZBOAURBJWFCKS-REPLKXPHSA-N 1 3 310.445 2.737 20 0 DFADHO c1n[nH]cc1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000289982717 221359694 /nfs/dbraw/zinc/35/96/94/221359694.db2.gz XZBOAURBJWFCKS-REPLKXPHSA-N 1 3 310.445 2.737 20 0 DFADHO C[C@H](NCCOCCC[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000629536196 399639890 /nfs/dbraw/zinc/63/98/90/399639890.db2.gz GAWNXVKJASXMHU-NSHDSACASA-N 1 3 306.328 2.601 20 0 DFADHO C[C@@H](NCCOCCC[NH3+])c1ccc(Br)cc1F ZINC000629540583 399640012 /nfs/dbraw/zinc/64/00/12/399640012.db2.gz WLFCHNKSUCLIMV-SNVBAGLBSA-N 1 3 319.218 2.604 20 0 DFADHO CC(C)[C@H](CNC[C@@H](O)C[NH+]1CCCC1)Cc1ccccc1 ZINC000629576636 399654012 /nfs/dbraw/zinc/65/40/12/399654012.db2.gz NVHPMRAAIIBUNI-RBUKOAKNSA-N 1 3 304.478 2.548 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC000629552802 399646376 /nfs/dbraw/zinc/64/63/76/399646376.db2.gz QJIPYHDUARNZQC-VNHYZAJKSA-N 1 3 312.404 2.961 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC000629552802 399646379 /nfs/dbraw/zinc/64/63/79/399646379.db2.gz QJIPYHDUARNZQC-VNHYZAJKSA-N 1 3 312.404 2.961 20 0 DFADHO Fc1ccc(/C=C\CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000629672631 399684879 /nfs/dbraw/zinc/68/48/79/399684879.db2.gz NQGONVVWXCXZBE-AHUOSZMWSA-N 1 3 318.436 2.929 20 0 DFADHO c1nc(C2CC2)c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000629673541 399684930 /nfs/dbraw/zinc/68/49/30/399684930.db2.gz UKQQHAIQUVWFKZ-OAHLLOKOSA-N 1 3 321.490 2.611 20 0 DFADHO CNCC(=O)Nc1ccc(-c2cccc(C[N@H+](C)C3CC3)c2)cn1 ZINC000629708765 399697771 /nfs/dbraw/zinc/69/77/71/399697771.db2.gz PKDJTKCCQQSOET-UHFFFAOYSA-N 1 3 324.428 2.501 20 0 DFADHO CNCC(=O)Nc1ccc(-c2cccc(C[N@@H+](C)C3CC3)c2)cn1 ZINC000629708765 399697778 /nfs/dbraw/zinc/69/77/78/399697778.db2.gz PKDJTKCCQQSOET-UHFFFAOYSA-N 1 3 324.428 2.501 20 0 DFADHO c1cnn(CCN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000262024260 257257530 /nfs/dbraw/zinc/25/75/30/257257530.db2.gz ZIESKBSNTUVSPH-INIZCTEOSA-N 1 3 316.474 2.589 20 0 DFADHO CN(C)Cc1ccc(F)c(-c2ccc(C[C@H](C[NH3+])CO)cc2)c1 ZINC000629736427 399708794 /nfs/dbraw/zinc/70/87/94/399708794.db2.gz GKZLACXJYOIWNP-MRXNPFEDSA-N 1 3 316.420 2.664 20 0 DFADHO COCC[C@H](C)[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000088546714 542527744 /nfs/dbraw/zinc/52/77/44/542527744.db2.gz UPEFYFIYWOXLNH-GVDBMIGSSA-N 1 3 312.498 2.623 20 0 DFADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000423719085 296441752 /nfs/dbraw/zinc/44/17/52/296441752.db2.gz BVOZUSVYNHDJCP-MSOLQXFVSA-N 1 3 317.477 2.662 20 0 DFADHO CCC1(CO)CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000093591546 542553588 /nfs/dbraw/zinc/55/35/88/542553588.db2.gz YJFXKGSZWMFTEK-UHFFFAOYSA-N 1 3 320.477 2.612 20 0 DFADHO CN(Cc1ccc(OCC[NH+](C)C)cc1)C[C@@H]1CCCCO1 ZINC000092427466 542547612 /nfs/dbraw/zinc/54/76/12/542547612.db2.gz GCSZXIRVUJKQEA-SFHVURJKSA-N 1 3 306.450 2.628 20 0 DFADHO OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000295039846 224397385 /nfs/dbraw/zinc/39/73/85/224397385.db2.gz MNVXLULSBYGWQB-LCWAXJCOSA-N 1 3 314.473 2.648 20 0 DFADHO CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507481 399719831 /nfs/dbraw/zinc/71/98/31/399719831.db2.gz YNZFEWHLHHCDII-BBWFWOEESA-N 1 3 311.514 2.591 20 0 DFADHO CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507481 399719836 /nfs/dbraw/zinc/71/98/36/399719836.db2.gz YNZFEWHLHHCDII-BBWFWOEESA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000617503613 399720540 /nfs/dbraw/zinc/72/05/40/399720540.db2.gz QPUAAOULUJNXBM-WNRNVDISSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000617503613 399720545 /nfs/dbraw/zinc/72/05/45/399720545.db2.gz QPUAAOULUJNXBM-WNRNVDISSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000617506794 399721027 /nfs/dbraw/zinc/72/10/27/399721027.db2.gz ZFAIWVIQHWMSJJ-HOTGVXAUSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000617506794 399721031 /nfs/dbraw/zinc/72/10/31/399721031.db2.gz ZFAIWVIQHWMSJJ-HOTGVXAUSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000617504790 399720416 /nfs/dbraw/zinc/72/04/16/399720416.db2.gz KMFQIPWMYOBVNS-IKGGRYGDSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000617504790 399720420 /nfs/dbraw/zinc/72/04/20/399720420.db2.gz KMFQIPWMYOBVNS-IKGGRYGDSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1 ZINC000423759963 296444263 /nfs/dbraw/zinc/44/42/63/296444263.db2.gz MMONMHVPKRLCDW-KGLIPLIRSA-N 1 3 303.450 2.509 20 0 DFADHO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NCc2ccc(F)cc2C)C1 ZINC000626050534 399735226 /nfs/dbraw/zinc/73/52/26/399735226.db2.gz QXKRMBFPNPLUFF-OKZBNKHCSA-N 1 3 306.425 2.866 20 0 DFADHO CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NCc2ccc(F)cc2C)C1 ZINC000626050534 399735228 /nfs/dbraw/zinc/73/52/28/399735228.db2.gz QXKRMBFPNPLUFF-OKZBNKHCSA-N 1 3 306.425 2.866 20 0 DFADHO COC[C@H](CC(C)C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000358035331 285371076 /nfs/dbraw/zinc/37/10/76/285371076.db2.gz IHNZRJBXYYACKJ-ZACQAIPSSA-N 1 3 300.487 2.527 20 0 DFADHO CC[N@H+](CCCc1cnn(C)c1)Cc1ccc(CN(C)C)cc1 ZINC000626062480 399741647 /nfs/dbraw/zinc/74/16/47/399741647.db2.gz UCGABFRDCVQHED-UHFFFAOYSA-N 1 3 314.477 2.936 20 0 DFADHO CC[N@@H+](CCCc1cnn(C)c1)Cc1ccc(CN(C)C)cc1 ZINC000626062480 399741653 /nfs/dbraw/zinc/74/16/53/399741653.db2.gz UCGABFRDCVQHED-UHFFFAOYSA-N 1 3 314.477 2.936 20 0 DFADHO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccc(OCCN(C)C)cc1 ZINC000296327549 533408797 /nfs/dbraw/zinc/40/87/97/533408797.db2.gz HCPSQJNIKMLDAH-JKSUJKDBSA-N 1 3 308.466 2.686 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1cnn(C)c1 ZINC000309696085 533418499 /nfs/dbraw/zinc/41/84/99/533418499.db2.gz DZORIRUKZMBUEA-AEFFLSMTSA-N 1 3 312.461 2.983 20 0 DFADHO C[NH+]1CCC(CNCc2ccnn2CCc2ccccc2)CC1 ZINC000621334411 399758000 /nfs/dbraw/zinc/75/80/00/399758000.db2.gz DXENEWXHHZOJRQ-UHFFFAOYSA-N 1 3 312.461 2.557 20 0 DFADHO CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1CCCO1 ZINC000128121689 542616843 /nfs/dbraw/zinc/61/68/43/542616843.db2.gz ALWUPEKOQPYJMA-LJQANCHMSA-N 1 3 318.461 2.772 20 0 DFADHO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(OCCN(C)C)cc1 ZINC000131911391 542639685 /nfs/dbraw/zinc/63/96/85/542639685.db2.gz CFMZWXBMSYMHFX-RDJZCZTQSA-N 1 3 306.450 2.847 20 0 DFADHO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(OCCN(C)C)cc1 ZINC000131911776 542639724 /nfs/dbraw/zinc/63/97/24/542639724.db2.gz CFMZWXBMSYMHFX-DOTOQJQBSA-N 1 3 306.450 2.847 20 0 DFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CN(C)C1CCC1)[NH+](C)C ZINC000629990565 399784299 /nfs/dbraw/zinc/78/42/99/399784299.db2.gz CTGCDPNDJIQARQ-DNVCBOLYSA-N 1 3 317.477 2.587 20 0 DFADHO C/C=C/C[C@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000626162672 399782169 /nfs/dbraw/zinc/78/21/69/399782169.db2.gz XPQXQYBRTHZFJJ-BDUNBXCCSA-N 1 3 321.509 2.654 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)N(C)C1CC1 ZINC000340232554 131239949 /nfs/dbraw/zinc/23/99/49/131239949.db2.gz QFYJKCGXZXOGGY-SZVBFZGTSA-N 1 3 301.478 2.894 20 0 DFADHO c1cc(OCC[NH+]2CCCC2)ccc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000152963031 542680451 /nfs/dbraw/zinc/68/04/51/542680451.db2.gz HPCDUIPUQCJFOY-QRVBRYPASA-N 1 3 316.445 2.571 20 0 DFADHO C[C@H]1CCN(CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000163840495 132125008 /nfs/dbraw/zinc/12/50/08/132125008.db2.gz TUPQAZHVKQARCS-STQMWFEESA-N 1 3 309.841 2.585 20 0 DFADHO c1nn(-c2ccccc2)cc1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166099181 542749419 /nfs/dbraw/zinc/74/94/19/542749419.db2.gz WDQYRIPPTSVXSI-IEBWSBKVSA-N 1 3 310.445 2.631 20 0 DFADHO c1nn(-c2ccccc2)cc1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166099181 542749423 /nfs/dbraw/zinc/74/94/23/542749423.db2.gz WDQYRIPPTSVXSI-IEBWSBKVSA-N 1 3 310.445 2.631 20 0 DFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CC2([NH3+])CCC2)CC1 ZINC000167795633 542753434 /nfs/dbraw/zinc/75/34/34/542753434.db2.gz WJDXHBRFIDMGAE-HNNXBMFYSA-N 1 3 315.461 2.600 20 0 DFADHO CN(C)[C@@H]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424139286 296487246 /nfs/dbraw/zinc/48/72/46/296487246.db2.gz ACUBYPMWQSUIKH-IAGOWNOFSA-N 1 3 309.498 2.617 20 0 DFADHO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000180426165 542784722 /nfs/dbraw/zinc/78/47/22/542784722.db2.gz UFOWLARRHSKYIA-YJBOKZPZSA-N 1 3 312.461 2.933 20 0 DFADHO C[C@H]1C[C@H](Nc2ccccc2CN2CCC(O)CC2)CC[N@@H+]1C ZINC000182249530 542793882 /nfs/dbraw/zinc/79/38/82/542793882.db2.gz MKYYUHNWEZNMTI-DOTOQJQBSA-N 1 3 317.477 2.538 20 0 DFADHO C[C@H]1C[C@H](Nc2ccccc2CN2CCC(O)CC2)CC[N@H+]1C ZINC000182249530 542793884 /nfs/dbraw/zinc/79/38/84/542793884.db2.gz MKYYUHNWEZNMTI-DOTOQJQBSA-N 1 3 317.477 2.538 20 0 DFADHO Cc1cn2c(CNCC3(C)CC[NH+](C)CC3)c(C)nc2s1 ZINC000227330370 542889183 /nfs/dbraw/zinc/88/91/83/542889183.db2.gz ORTYQRPQGDLZCW-UHFFFAOYSA-N 1 3 306.479 2.834 20 0 DFADHO C[C@H](CC(=O)N(CCN(C)C)c1ccccc1)C1CC[NH2+]CC1 ZINC000237514153 542902789 /nfs/dbraw/zinc/90/27/89/542902789.db2.gz NAVRJVXMCLNTDY-MRXNPFEDSA-N 1 3 317.477 2.607 20 0 DFADHO CCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCN(CC)C1 ZINC000617924916 399834277 /nfs/dbraw/zinc/83/42/77/399834277.db2.gz BBVBETHKZGMTSO-QZTJIDSGSA-N 1 3 317.477 2.622 20 0 DFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(CC)C1 ZINC000617928286 399837608 /nfs/dbraw/zinc/83/76/08/399837608.db2.gz MVZIYMYNEHGLQH-AEFFLSMTSA-N 1 3 321.509 2.584 20 0 DFADHO CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(CC)C1 ZINC000617928286 399837611 /nfs/dbraw/zinc/83/76/11/399837611.db2.gz MVZIYMYNEHGLQH-AEFFLSMTSA-N 1 3 321.509 2.584 20 0 DFADHO COC1CC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000309888648 543066649 /nfs/dbraw/zinc/06/66/49/543066649.db2.gz CTKWEANBLXCBBF-ARZKPCJCSA-N 1 3 300.446 2.664 20 0 DFADHO CN(CCCO)C1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000305786168 543061948 /nfs/dbraw/zinc/06/19/48/543061948.db2.gz YAXWKPGJZUZPJU-UHFFFAOYSA-N 1 3 304.478 2.743 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1CN(C)C ZINC000339275487 543143775 /nfs/dbraw/zinc/14/37/75/543143775.db2.gz LHXVWIRQTGGFME-INIZCTEOSA-N 1 3 317.477 2.629 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1CN(C)C ZINC000339275487 543143776 /nfs/dbraw/zinc/14/37/76/543143776.db2.gz LHXVWIRQTGGFME-INIZCTEOSA-N 1 3 317.477 2.629 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(CN(C)C)c1 ZINC000339244662 543142122 /nfs/dbraw/zinc/14/21/22/543142122.db2.gz ALYUCHPKGPSZQE-HNNXBMFYSA-N 1 3 303.450 2.951 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(CN(C)C)c1 ZINC000339244662 543142123 /nfs/dbraw/zinc/14/21/23/543142123.db2.gz ALYUCHPKGPSZQE-HNNXBMFYSA-N 1 3 303.450 2.951 20 0 DFADHO CC(C)[C@H]1CC[C@@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000343945638 543169769 /nfs/dbraw/zinc/16/97/69/543169769.db2.gz WJKMMNPGVQYWMN-SJORKVTESA-N 1 3 305.466 2.936 20 0 DFADHO CN1CCC(C[NH2+][C@@H]2CC[C@H]2C2CC2)(N2CCCCC2)CC1 ZINC000348102594 543183373 /nfs/dbraw/zinc/18/33/73/543183373.db2.gz NYLLZDIKUGTNRY-ZWKOTPCHSA-N 1 3 305.510 2.715 20 0 DFADHO CN1CCC(C[NH2+][C@H]2CC[C@H]2C2CC2)(N2CCCCC2)CC1 ZINC000348102593 543183539 /nfs/dbraw/zinc/18/35/39/543183539.db2.gz NYLLZDIKUGTNRY-ROUUACIJSA-N 1 3 305.510 2.715 20 0 DFADHO CO[C@]1(C)CCC[N@@H+](CC[C@H](C)N2CCC[C@](C)(OC)C2)C1 ZINC000348247787 543184126 /nfs/dbraw/zinc/18/41/26/543184126.db2.gz WOXPYJCOCNZRFP-KSZLIROESA-N 1 3 312.498 2.767 20 0 DFADHO CO[C@]1(C)CCC[N@H+](CC[C@H](C)N2CCC[C@](C)(OC)C2)C1 ZINC000348247787 543184129 /nfs/dbraw/zinc/18/41/29/543184129.db2.gz WOXPYJCOCNZRFP-KSZLIROESA-N 1 3 312.498 2.767 20 0 DFADHO CC(C)[C@@H]1CC[C@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000353495488 543235744 /nfs/dbraw/zinc/23/57/44/543235744.db2.gz HWUZNBNZNCLNKD-RBUKOAKNSA-N 1 3 316.493 2.618 20 0 DFADHO COCCN(Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000384360830 543299504 /nfs/dbraw/zinc/29/95/04/543299504.db2.gz MRFADGJMVIVQLQ-UHFFFAOYSA-N 1 3 310.441 2.981 20 0 DFADHO CCCN1CCC([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000389794624 543305473 /nfs/dbraw/zinc/30/54/73/543305473.db2.gz SOIDRABGOANWHZ-YLJYHZDGSA-N 1 3 315.505 2.971 20 0 DFADHO CN1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000390637268 543306503 /nfs/dbraw/zinc/30/65/03/543306503.db2.gz GHSWXHAGRUUNRO-UMQXSMKFSA-N 1 3 313.489 2.866 20 0 DFADHO CN1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390637268 543306506 /nfs/dbraw/zinc/30/65/06/543306506.db2.gz GHSWXHAGRUUNRO-UMQXSMKFSA-N 1 3 313.489 2.866 20 0 DFADHO CN1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390637268 543306508 /nfs/dbraw/zinc/30/65/08/543306508.db2.gz GHSWXHAGRUUNRO-UMQXSMKFSA-N 1 3 313.489 2.866 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(C)C ZINC000132468063 145210045 /nfs/dbraw/zinc/21/00/45/145210045.db2.gz YKYGOXNYVCOJNJ-ROUUACIJSA-N 1 3 323.525 2.687 20 0 DFADHO COC[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000165348851 145229395 /nfs/dbraw/zinc/22/93/95/145229395.db2.gz RATNOQAJSFUNSQ-MJGOQNOKSA-N 1 3 302.462 2.566 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(Br)c2cccnc12)[C@H](C)N ZINC000415025130 543328439 /nfs/dbraw/zinc/32/84/39/543328439.db2.gz ZPKQZVWRQWLKAP-VHSXEESVSA-N 1 3 308.223 2.823 20 0 DFADHO CC(=O)Nc1cccc(C[NH2+]CC2(CN(C)C)CCCC2)c1 ZINC000631112663 399983000 /nfs/dbraw/zinc/98/30/00/399983000.db2.gz QTRJDXGSQBUHEW-UHFFFAOYSA-N 1 3 303.450 2.857 20 0 DFADHO Cc1scc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c1C ZINC000631090608 399978845 /nfs/dbraw/zinc/97/88/45/399978845.db2.gz HMFAQXDSAAYSFW-IAGOWNOFSA-N 1 3 308.491 2.832 20 0 DFADHO C[N@@H+]1CC[C@@H](Nc2cccc(CN3CC[C@H](O)C3)c2)CC1(C)C ZINC000628288529 400014412 /nfs/dbraw/zinc/01/44/12/400014412.db2.gz NAPRDOVHRIIJCD-MSOLQXFVSA-N 1 3 317.477 2.538 20 0 DFADHO C[N@H+]1CC[C@@H](Nc2cccc(CN3CC[C@H](O)C3)c2)CC1(C)C ZINC000628288529 400014414 /nfs/dbraw/zinc/01/44/14/400014414.db2.gz NAPRDOVHRIIJCD-MSOLQXFVSA-N 1 3 317.477 2.538 20 0 DFADHO CCC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1cc(C)ccn1 ZINC000631565532 400051803 /nfs/dbraw/zinc/05/18/03/400051803.db2.gz GFPQNLACNRAAMT-GOSISDBHSA-N 1 3 318.509 2.848 20 0 DFADHO C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CCCN(CC2CC2)C1 ZINC000631647249 400061494 /nfs/dbraw/zinc/06/14/94/400061494.db2.gz GBFCVNKMYJCEPZ-XDNAFOTISA-N 1 3 304.478 2.656 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000631668194 400064453 /nfs/dbraw/zinc/06/44/53/400064453.db2.gz WBQILNCIORDPIS-SOLBZPMBSA-N 1 3 312.461 2.839 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc(OCCN(C)C)c1 ZINC000631811083 400077267 /nfs/dbraw/zinc/07/72/67/400077267.db2.gz PAXTXTXBISOWJQ-OLMNPRSZSA-N 1 3 306.450 2.581 20 0 DFADHO C[C@@H]1CN(Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000631839825 400078846 /nfs/dbraw/zinc/07/88/46/400078846.db2.gz LKCSOFUDYNYBNN-DGCLKSJQSA-N 1 3 302.340 2.654 20 0 DFADHO Cc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c(C)n1 ZINC000187106141 145745547 /nfs/dbraw/zinc/74/55/47/145745547.db2.gz KQJFXCATTRXNHI-UHFFFAOYSA-N 1 3 317.477 2.775 20 0 DFADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(Br)s1 ZINC000235211340 146019655 /nfs/dbraw/zinc/01/96/55/146019655.db2.gz XODKWLWNTPYUBN-SNVBAGLBSA-N 1 3 321.284 2.739 20 0 DFADHO C[C@@H](CNC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000236710217 146024161 /nfs/dbraw/zinc/02/41/61/146024161.db2.gz MTCPDAVQBAPUGD-MAUKXSAKSA-N 1 3 308.441 2.612 20 0 DFADHO CC(C)C[C@H](N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000236747771 146025647 /nfs/dbraw/zinc/02/56/47/146025647.db2.gz QZBYYJKSBHUGCS-KRWDZBQOSA-N 1 3 303.450 2.637 20 0 DFADHO CCCC[C@H](N)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000236761096 146026041 /nfs/dbraw/zinc/02/60/41/146026041.db2.gz UFJGHVSZCKCFAK-KRWDZBQOSA-N 1 3 305.466 2.614 20 0 DFADHO CCCC[C@@H](N)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000236773328 146027234 /nfs/dbraw/zinc/02/72/34/146027234.db2.gz RBIVDVDXNGNDKZ-QGZVFWFLSA-N 1 3 305.466 2.662 20 0 DFADHO CCN(C(=O)[C@H](C)C[NH2+]C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000237047607 146035395 /nfs/dbraw/zinc/03/53/95/146035395.db2.gz GMNACYPXEQXIOG-RYRKJORJSA-N 1 3 317.477 2.526 20 0 DFADHO CN(C)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245744278 146099110 /nfs/dbraw/zinc/09/91/10/146099110.db2.gz SESOHOMVQCOFPK-LDLYASANSA-N 1 3 301.478 2.723 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CN1Cc1ccccc1 ZINC000249031026 146182873 /nfs/dbraw/zinc/18/28/73/146182873.db2.gz RCRABHYFWIYBCA-VJNRDTIXSA-N 1 3 313.489 2.864 20 0 DFADHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000249031026 146182877 /nfs/dbraw/zinc/18/28/77/146182877.db2.gz RCRABHYFWIYBCA-VJNRDTIXSA-N 1 3 313.489 2.864 20 0 DFADHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000249031026 146182880 /nfs/dbraw/zinc/18/28/80/146182880.db2.gz RCRABHYFWIYBCA-VJNRDTIXSA-N 1 3 313.489 2.864 20 0 DFADHO C[C@H](O)C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000249060135 146185461 /nfs/dbraw/zinc/18/54/61/146185461.db2.gz ZRNFHBDEFNISKE-HTBOALCVSA-N 1 3 302.462 2.756 20 0 DFADHO C[C@H](O)C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000249060135 146185464 /nfs/dbraw/zinc/18/54/64/146185464.db2.gz ZRNFHBDEFNISKE-HTBOALCVSA-N 1 3 302.462 2.756 20 0 DFADHO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1cccc(OCCN(C)C)c1 ZINC000252010025 146220818 /nfs/dbraw/zinc/22/08/18/146220818.db2.gz XMZSJVGRZLZCBZ-PIKADFDJSA-N 1 3 318.461 2.845 20 0 DFADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1Br ZINC000261543287 146238662 /nfs/dbraw/zinc/23/86/62/146238662.db2.gz CTDYBSQEMCFOII-BBBLOLIVSA-N 1 3 301.228 2.844 20 0 DFADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000261555151 146239811 /nfs/dbraw/zinc/23/98/11/146239811.db2.gz UUDHVEJSSMBFKT-DBVUQKKJSA-N 1 3 307.441 2.995 20 0 DFADHO CN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261732898 146268009 /nfs/dbraw/zinc/26/80/09/146268009.db2.gz HJFCOGVKBXEFAR-MOPGFXCFSA-N 1 3 301.478 2.582 20 0 DFADHO CC[NH+](CC)CC1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000261800817 146279239 /nfs/dbraw/zinc/27/92/39/146279239.db2.gz UUDKVGHPFFHJKX-GOSISDBHSA-N 1 3 317.477 2.657 20 0 DFADHO Cc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261817047 146282030 /nfs/dbraw/zinc/28/20/30/146282030.db2.gz IBDITNVLLNRCGJ-ZYSHUDEJSA-N 1 3 310.445 2.565 20 0 DFADHO CCC[C@](C)(N)C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000262136642 146337855 /nfs/dbraw/zinc/33/78/55/146337855.db2.gz OASODSNIUYLWAR-HKUYNNGSSA-N 1 3 319.493 2.573 20 0 DFADHO [NH3+]CC[C@@H]1CCCN(CCOc2ccc(F)cc2Cl)C1 ZINC000262145376 146339171 /nfs/dbraw/zinc/33/91/71/146339171.db2.gz QJNNWBKAWVZFQM-LBPRGKRZSA-N 1 3 300.805 2.919 20 0 DFADHO COCc1cccc(OCC2(CN3CC[C@@H](C[NH3+])C3)CCC2)c1 ZINC000262191806 146341895 /nfs/dbraw/zinc/34/18/95/146341895.db2.gz YTFUNWWSDHIPNU-KRWDZBQOSA-N 1 3 318.461 2.663 20 0 DFADHO CCOc1ccccc1OCCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262305296 146350563 /nfs/dbraw/zinc/35/05/63/146350563.db2.gz OZXWFJQVSKTYQQ-XHSDSOJGSA-N 1 3 304.434 2.523 20 0 DFADHO CCC[C@@](C)(N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000262565472 146372820 /nfs/dbraw/zinc/37/28/20/146372820.db2.gz LDVDMXLTBSDBEQ-GOSISDBHSA-N 1 3 309.498 2.619 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000262692971 146383138 /nfs/dbraw/zinc/38/31/38/146383138.db2.gz ARIJIOGJNXNOGU-QAPCUYQASA-N 1 3 303.450 2.903 20 0 DFADHO CCC[C@@](C)(N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000262707270 146384386 /nfs/dbraw/zinc/38/43/86/146384386.db2.gz NGTBLBNNKVYGAA-DNVCBOLYSA-N 1 3 317.477 2.846 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)[C@@H]1C ZINC000354670028 147111194 /nfs/dbraw/zinc/11/11/94/147111194.db2.gz URZLNHXLRPYFDX-NCOADZHNSA-N 1 3 310.482 2.818 20 0 DFADHO COc1cc2c(cc1OC)[C@@H](NC[C@H]1CCC[N@H+](C)C1)CC2 ZINC000526041099 543429059 /nfs/dbraw/zinc/42/90/59/543429059.db2.gz GNILGZSOPTZGFG-CJNGLKHVSA-N 1 3 304.434 2.623 20 0 DFADHO COc1cc2c(cc1OC)[C@@H](NC[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000526041099 543429061 /nfs/dbraw/zinc/42/90/61/543429061.db2.gz GNILGZSOPTZGFG-CJNGLKHVSA-N 1 3 304.434 2.623 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000355213566 147225039 /nfs/dbraw/zinc/22/50/39/147225039.db2.gz FKGMNOPPAKKVNG-POAQFYNOSA-N 1 3 313.489 2.581 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)CC[C@H]21 ZINC000355225431 147230406 /nfs/dbraw/zinc/23/04/06/147230406.db2.gz RTLNTEFTTGSABZ-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)CC[C@H]21 ZINC000355225431 147230412 /nfs/dbraw/zinc/23/04/12/147230412.db2.gz RTLNTEFTTGSABZ-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+]([C@@H](C)CCc2ccccc2)CC1 ZINC000357639105 148066298 /nfs/dbraw/zinc/06/62/98/148066298.db2.gz VOEMNUUXJGHDEJ-DLBZAZTESA-N 1 3 304.478 2.785 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000296727926 286016494 /nfs/dbraw/zinc/01/64/94/286016494.db2.gz IGEQMCRGTOPPCK-OTWHNJEPSA-N 1 3 302.462 2.660 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000296727926 286016498 /nfs/dbraw/zinc/01/64/98/286016498.db2.gz IGEQMCRGTOPPCK-OTWHNJEPSA-N 1 3 302.462 2.660 20 0 DFADHO CO[C@H](Cc1ccccc1)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000296727926 286016499 /nfs/dbraw/zinc/01/64/99/286016499.db2.gz IGEQMCRGTOPPCK-OTWHNJEPSA-N 1 3 302.462 2.660 20 0 DFADHO CO[C@H](Cc1ccccc1)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000296727926 286016502 /nfs/dbraw/zinc/01/65/02/286016502.db2.gz IGEQMCRGTOPPCK-OTWHNJEPSA-N 1 3 302.462 2.660 20 0 DFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]2(C)CCCCN2)C1 ZINC000357798204 148126823 /nfs/dbraw/zinc/12/68/23/148126823.db2.gz RFCSKJMOFFVCGJ-YJBOKZPZSA-N 1 3 309.498 2.535 20 0 DFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(C)CCCCN2)C1 ZINC000357798204 148126824 /nfs/dbraw/zinc/12/68/24/148126824.db2.gz RFCSKJMOFFVCGJ-YJBOKZPZSA-N 1 3 309.498 2.535 20 0 DFADHO Cc1ncc(CN2CCC(C[NH+](C)C)CC2)n1-c1ccccc1 ZINC000350184596 286017189 /nfs/dbraw/zinc/01/71/89/286017189.db2.gz OMHBNQPQKYAZJO-UHFFFAOYSA-N 1 3 312.461 2.954 20 0 DFADHO c1c(CNCCC[C@H]2CCCCO2)onc1C1CC[NH2+]CC1 ZINC000425893187 296602818 /nfs/dbraw/zinc/60/28/18/296602818.db2.gz BPLMOOYGVVWQTH-OAHLLOKOSA-N 1 3 307.438 2.581 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000358186848 148275984 /nfs/dbraw/zinc/27/59/84/148275984.db2.gz JBLIBERHJJVMEP-INIZCTEOSA-N 1 3 322.468 2.829 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC[C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000358186848 148275987 /nfs/dbraw/zinc/27/59/87/148275987.db2.gz JBLIBERHJJVMEP-INIZCTEOSA-N 1 3 322.468 2.829 20 0 DFADHO CC[NH+](CC)CCOCCNCc1cccc2cccnc21 ZINC000350319481 286028029 /nfs/dbraw/zinc/02/80/29/286028029.db2.gz PDCGBLKOQKAQCY-UHFFFAOYSA-N 1 3 301.434 2.683 20 0 DFADHO CCCN(C)CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358453315 148365276 /nfs/dbraw/zinc/36/52/76/148365276.db2.gz WBCXDNGQDMCSMR-QGZVFWFLSA-N 1 3 323.525 2.831 20 0 DFADHO CCCN(C)CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000358453315 148365282 /nfs/dbraw/zinc/36/52/82/148365282.db2.gz WBCXDNGQDMCSMR-QGZVFWFLSA-N 1 3 323.525 2.831 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCN4CCC4)[C@@H]3C2)cc1 ZINC000358572579 148389361 /nfs/dbraw/zinc/38/93/61/148389361.db2.gz QPHSBMPEPBQUTH-XUVXKRRUSA-N 1 3 313.489 2.582 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCN4CCC4)[C@@H]3C2)cc1 ZINC000358572579 148389364 /nfs/dbraw/zinc/38/93/64/148389364.db2.gz QPHSBMPEPBQUTH-XUVXKRRUSA-N 1 3 313.489 2.582 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCN4CCC4)[C@@H]3C2)cc1 ZINC000358572579 148389366 /nfs/dbraw/zinc/38/93/66/148389366.db2.gz QPHSBMPEPBQUTH-XUVXKRRUSA-N 1 3 313.489 2.582 20 0 DFADHO C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000360109839 148818026 /nfs/dbraw/zinc/81/80/26/148818026.db2.gz JLYFNIXFEDOXMG-GJZGRUSLSA-N 1 3 303.450 2.602 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000361395518 149105303 /nfs/dbraw/zinc/10/53/03/149105303.db2.gz OTMFVEOYVHWXSD-MOPGFXCFSA-N 1 3 303.494 2.605 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000361395518 149105304 /nfs/dbraw/zinc/10/53/04/149105304.db2.gz OTMFVEOYVHWXSD-MOPGFXCFSA-N 1 3 303.494 2.605 20 0 DFADHO c1ccc(CCN2CCC([NH2+]CCN3CC=CCC3)CC2)cc1 ZINC000361443329 149116806 /nfs/dbraw/zinc/11/68/06/149116806.db2.gz QRQRZDRAQGEIOB-UHFFFAOYSA-N 1 3 313.489 2.545 20 0 DFADHO c1ccc(CC[NH+]2CCC(NCCN3CC=CCC3)CC2)cc1 ZINC000361443329 149116808 /nfs/dbraw/zinc/11/68/08/149116808.db2.gz QRQRZDRAQGEIOB-UHFFFAOYSA-N 1 3 313.489 2.545 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@]2(F)CCNC2)cc1 ZINC000361719445 149200435 /nfs/dbraw/zinc/20/04/35/149200435.db2.gz SYNLSYIDGTVYJV-RDTXWAMCSA-N 1 3 319.424 2.701 20 0 DFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@]2(F)CCNC2)cc1 ZINC000361719445 149200437 /nfs/dbraw/zinc/20/04/37/149200437.db2.gz SYNLSYIDGTVYJV-RDTXWAMCSA-N 1 3 319.424 2.701 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc2c(s1)CCCC2 ZINC000361877300 149242902 /nfs/dbraw/zinc/24/29/02/149242902.db2.gz LXHXCTSYYSRUGY-CYBMUJFWSA-N 1 3 308.491 2.734 20 0 DFADHO CC1CCN(C(=[NH2+])NC[C@@H]2CCN(C)[C@@H]2c2cccs2)CC1 ZINC000361947165 149262511 /nfs/dbraw/zinc/26/25/11/149262511.db2.gz ZAWGPQJBVWUTIV-HOCLYGCPSA-N 1 3 320.506 2.997 20 0 DFADHO CN(Cc1ccccc1)[C@H]1CCC[N@H+](CCn2ccnc2)CC1 ZINC000362395851 149296520 /nfs/dbraw/zinc/29/65/20/149296520.db2.gz KWUOUFOOKJWCHR-IBGZPJMESA-N 1 3 312.461 2.870 20 0 DFADHO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](CCn2ccnc2)CC1 ZINC000362395851 149296523 /nfs/dbraw/zinc/29/65/23/149296523.db2.gz KWUOUFOOKJWCHR-IBGZPJMESA-N 1 3 312.461 2.870 20 0 DFADHO C[C@@H](CNC(=O)c1ccccc1CN(C)C)[N@@H+]1CCCC[C@H]1C ZINC000362563538 149309438 /nfs/dbraw/zinc/30/94/38/149309438.db2.gz AAWGOWOADISEQY-CVEARBPZSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@@H](CNC(=O)c1ccccc1CN(C)C)[N@H+]1CCCC[C@H]1C ZINC000362563538 149309440 /nfs/dbraw/zinc/30/94/40/149309440.db2.gz AAWGOWOADISEQY-CVEARBPZSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@H](CNC(=O)c1ccccc1CN(C)C)[N@@H+]1CCCC[C@H]1C ZINC000362563540 149309643 /nfs/dbraw/zinc/30/96/43/149309643.db2.gz AAWGOWOADISEQY-HZPDHXFCSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@H](CNC(=O)c1ccccc1CN(C)C)[N@H+]1CCCC[C@H]1C ZINC000362563540 149309645 /nfs/dbraw/zinc/30/96/45/149309645.db2.gz AAWGOWOADISEQY-HZPDHXFCSA-N 1 3 317.477 2.741 20 0 DFADHO CCc1ccc([C@@H](NC[C@H](O)C[N@H+](C)C2CC2)C(C)C)cc1 ZINC000351539561 286147696 /nfs/dbraw/zinc/14/76/96/286147696.db2.gz UPZGAEJTPQOORO-OALUTQOASA-N 1 3 304.478 2.991 20 0 DFADHO CCc1ccc([C@@H](NC[C@H](O)C[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000351539561 286147700 /nfs/dbraw/zinc/14/77/00/286147700.db2.gz UPZGAEJTPQOORO-OALUTQOASA-N 1 3 304.478 2.991 20 0 DFADHO Cc1ccnc(NC[C@@H]2CC[N@@H+](CC[C@@H]3CCCN3C)C2)c1 ZINC000371204547 150002376 /nfs/dbraw/zinc/00/23/76/150002376.db2.gz IFSJFZKVKJONMK-IRXDYDNUSA-N 1 3 302.466 2.608 20 0 DFADHO Cc1ccnc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCCN3C)C2)c1 ZINC000371204547 150002383 /nfs/dbraw/zinc/00/23/83/150002383.db2.gz IFSJFZKVKJONMK-IRXDYDNUSA-N 1 3 302.466 2.608 20 0 DFADHO Cc1ccnc(NC[C@@H]2CCN(CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000371204547 150002386 /nfs/dbraw/zinc/00/23/86/150002386.db2.gz IFSJFZKVKJONMK-IRXDYDNUSA-N 1 3 302.466 2.608 20 0 DFADHO Cc1ccnc(NC[C@@H]2CCN(CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000371204547 150002390 /nfs/dbraw/zinc/00/23/90/150002390.db2.gz IFSJFZKVKJONMK-IRXDYDNUSA-N 1 3 302.466 2.608 20 0 DFADHO CN(Cc1ccccc1)[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000371205298 150002746 /nfs/dbraw/zinc/00/27/46/150002746.db2.gz QHXHPCFFQBORCS-RBUKOAKNSA-N 1 3 301.478 2.677 20 0 DFADHO CN(Cc1ccccc1)[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000371205298 150002751 /nfs/dbraw/zinc/00/27/51/150002751.db2.gz QHXHPCFFQBORCS-RBUKOAKNSA-N 1 3 301.478 2.677 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000371363458 150031676 /nfs/dbraw/zinc/03/16/76/150031676.db2.gz FDRRPLDZNVKHRK-KRWDZBQOSA-N 1 3 320.456 2.607 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000371363458 150031679 /nfs/dbraw/zinc/03/16/79/150031679.db2.gz FDRRPLDZNVKHRK-KRWDZBQOSA-N 1 3 320.456 2.607 20 0 DFADHO C[NH+](C)CC1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000371391726 150037516 /nfs/dbraw/zinc/03/75/16/150037516.db2.gz FAGVVGRUAXBJSC-UHFFFAOYSA-N 1 3 304.463 2.912 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccccc1-c1cnn(C)c1 ZINC000371429744 150045767 /nfs/dbraw/zinc/04/57/67/150045767.db2.gz GUVMATOHMMMWRI-ZRGWGRIASA-N 1 3 312.461 2.905 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccccc1-c1cnn(C)c1 ZINC000371429744 150045768 /nfs/dbraw/zinc/04/57/68/150045768.db2.gz GUVMATOHMMMWRI-ZRGWGRIASA-N 1 3 312.461 2.905 20 0 DFADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000371586194 150068193 /nfs/dbraw/zinc/06/81/93/150068193.db2.gz WKBABYLBCDJXHH-OAHLLOKOSA-N 1 3 322.522 2.966 20 0 DFADHO CCN(CC)CCC[NH2+]C1CCN(c2cccc(OC)c2)CC1 ZINC000371978842 150120697 /nfs/dbraw/zinc/12/06/97/150120697.db2.gz OAONSKYUDCNPIO-UHFFFAOYSA-N 1 3 319.493 2.986 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2CCc2ccccc2)CCN1C ZINC000372060088 150130360 /nfs/dbraw/zinc/13/03/60/150130360.db2.gz OUIVEBJLMIKVFL-YZGWKJHDSA-N 1 3 315.505 2.766 20 0 DFADHO CN(CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C)Cc1ccc(F)cc1 ZINC000372357555 150166402 /nfs/dbraw/zinc/16/64/02/150166402.db2.gz PTJHYSLTDGBHSL-OALUTQOASA-N 1 3 319.468 2.816 20 0 DFADHO CN(CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C)Cc1ccc(F)cc1 ZINC000372357555 150166404 /nfs/dbraw/zinc/16/64/04/150166404.db2.gz PTJHYSLTDGBHSL-OALUTQOASA-N 1 3 319.468 2.816 20 0 DFADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCN(C)[C@H](C)C2)CN1Cc1ccccc1 ZINC000374526372 150373426 /nfs/dbraw/zinc/37/34/26/150373426.db2.gz HLYQEZASWQDCAL-HNBVOPMISA-N 1 3 315.505 2.969 20 0 DFADHO Cc1cccc(C2(NC[C@@H](O)C[N@@H+](C)C3CC3)CCCC2)c1 ZINC000351714385 286200746 /nfs/dbraw/zinc/20/07/46/286200746.db2.gz CYUORCBIWZBXIZ-GOSISDBHSA-N 1 3 302.462 2.809 20 0 DFADHO Cc1cccc(C2(NC[C@@H](O)C[N@H+](C)C3CC3)CCCC2)c1 ZINC000351714385 286200748 /nfs/dbraw/zinc/20/07/48/286200748.db2.gz CYUORCBIWZBXIZ-GOSISDBHSA-N 1 3 302.462 2.809 20 0 DFADHO CC(C)N(C)CCC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352090469 286289649 /nfs/dbraw/zinc/28/96/49/286289649.db2.gz ALLROHVZVVDULJ-UHFFFAOYSA-N 1 3 300.450 2.907 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000352172850 286311693 /nfs/dbraw/zinc/31/16/93/286311693.db2.gz XJXCLTSOODJVJO-ROUUACIJSA-N 1 3 319.493 2.881 20 0 DFADHO CSc1ccccc1NC(=O)CCN1CCCC[C@H]1CC[NH3+] ZINC000352488450 286386240 /nfs/dbraw/zinc/38/62/40/286386240.db2.gz QJOUKXWKXLUCKA-AWEZNQCLSA-N 1 3 321.490 2.940 20 0 DFADHO COc1cccc(CNCC2(SC)CC[NH+](C)CC2)c1OC ZINC000353195696 286576605 /nfs/dbraw/zinc/57/66/05/286576605.db2.gz SAYDIVKCZSSJKK-UHFFFAOYSA-N 1 3 324.490 2.621 20 0 DFADHO COc1ccc(CNCC2(SC)CC[NH+](C)CC2)c(OC)c1 ZINC000353204879 286578997 /nfs/dbraw/zinc/57/89/97/286578997.db2.gz DRYCAZLGFQERNC-UHFFFAOYSA-N 1 3 324.490 2.621 20 0 DFADHO CC(C)[C@@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)N1CCCCC1 ZINC000429499878 296747167 /nfs/dbraw/zinc/74/71/67/296747167.db2.gz BHANOMQHRKEQPJ-YJBOKZPZSA-N 1 3 317.477 2.833 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000246989621 158111642 /nfs/dbraw/zinc/11/16/42/158111642.db2.gz KELYJCMRHCTKGU-LPHOPBHVSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@@H+]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000246989621 158111643 /nfs/dbraw/zinc/11/16/43/158111643.db2.gz KELYJCMRHCTKGU-LPHOPBHVSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@H+]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000246989621 158111644 /nfs/dbraw/zinc/11/16/44/158111644.db2.gz KELYJCMRHCTKGU-LPHOPBHVSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](C)Oc2ccccc2OC)[C@@H](C)C1 ZINC000247037531 158114662 /nfs/dbraw/zinc/11/46/62/158114662.db2.gz LPHKUJVRBUQDGI-JYJNAYRXSA-N 1 3 306.450 2.782 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](C)Oc2ccccc2OC)[C@@H](C)C1 ZINC000247037531 158114666 /nfs/dbraw/zinc/11/46/66/158114666.db2.gz LPHKUJVRBUQDGI-JYJNAYRXSA-N 1 3 306.450 2.782 20 0 DFADHO CCOc1ccc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)cc1OC ZINC000247227187 158123492 /nfs/dbraw/zinc/12/34/92/158123492.db2.gz WPJMMBJIZJLZQT-GOEBONIOSA-N 1 3 306.450 2.914 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](c2cccc(OC)c2)N(C)C)[C@@H](C)C1 ZINC000247890476 158151654 /nfs/dbraw/zinc/15/16/54/158151654.db2.gz FBOUMTGUAIKONO-ZYSHUDEJSA-N 1 3 319.493 2.618 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](c2cccc(OC)c2)N(C)C)[C@@H](C)C1 ZINC000247890476 158151656 /nfs/dbraw/zinc/15/16/56/158151656.db2.gz FBOUMTGUAIKONO-ZYSHUDEJSA-N 1 3 319.493 2.618 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H](c2cccc(OC)c2)N(C)C)[C@@H](C)C1 ZINC000247890476 158151658 /nfs/dbraw/zinc/15/16/58/158151658.db2.gz FBOUMTGUAIKONO-ZYSHUDEJSA-N 1 3 319.493 2.618 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000247987764 158155258 /nfs/dbraw/zinc/15/52/58/158155258.db2.gz IZTBVOJDZCALAA-IHPCNDPISA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)CCN1C ZINC000247971994 158155446 /nfs/dbraw/zinc/15/54/46/158155446.db2.gz JRHBUOZBHDNCLJ-NZSAHSFTSA-N 1 3 301.478 2.896 20 0 DFADHO C[N@@H+]1CC[C@H]2CCN(CCCc3ccc4c(c3)CCO4)[C@H]2C1 ZINC000248666419 158195868 /nfs/dbraw/zinc/19/58/68/158195868.db2.gz NQGCXDINDADFAD-WMZOPIPTSA-N 1 3 300.446 2.580 20 0 DFADHO C[N@H+]1CC[C@H]2CCN(CCCc3ccc4c(c3)CCO4)[C@H]2C1 ZINC000248666419 158195869 /nfs/dbraw/zinc/19/58/69/158195869.db2.gz NQGCXDINDADFAD-WMZOPIPTSA-N 1 3 300.446 2.580 20 0 DFADHO OCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248819667 158202881 /nfs/dbraw/zinc/20/28/81/158202881.db2.gz WIJMHSOQMFLVGN-GUDVDZBRSA-N 1 3 302.462 2.649 20 0 DFADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248829429 158203063 /nfs/dbraw/zinc/20/30/63/158203063.db2.gz KYBJVUJHGOXVDX-CSQLCUNESA-N 1 3 302.462 2.910 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CCC=CO3)CC2)C[C@@H](C)O1 ZINC000248822612 158203076 /nfs/dbraw/zinc/20/30/76/158203076.db2.gz FJWMAJDVWRUWCU-ZHALLVOQSA-N 1 3 322.493 2.890 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000343934829 158224172 /nfs/dbraw/zinc/22/41/72/158224172.db2.gz OOTFLAQQWRMREK-HOCLYGCPSA-N 1 3 309.429 2.640 20 0 DFADHO C[C@H](c1ccccc1F)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000355062932 158264343 /nfs/dbraw/zinc/26/43/43/158264343.db2.gz HSWFKBOSYNPGKT-HZPDHXFCSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@H](c1ccccc1F)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000355062932 158264344 /nfs/dbraw/zinc/26/43/44/158264344.db2.gz HSWFKBOSYNPGKT-HZPDHXFCSA-N 1 3 319.468 2.987 20 0 DFADHO Cc1ccc(C)c(CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000355061710 158264365 /nfs/dbraw/zinc/26/43/65/158264365.db2.gz GOCKKVZUYVTKBY-GOSISDBHSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1ccc(C)c(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000355061710 158264366 /nfs/dbraw/zinc/26/43/66/158264366.db2.gz GOCKKVZUYVTKBY-GOSISDBHSA-N 1 3 315.505 2.904 20 0 DFADHO CC(=O)NCCc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000356696499 158311119 /nfs/dbraw/zinc/31/11/19/158311119.db2.gz MOXRSYQILQHZRY-MRXNPFEDSA-N 1 3 317.477 2.502 20 0 DFADHO [NH3+]CCOCCN(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000357029555 158351275 /nfs/dbraw/zinc/35/12/75/158351275.db2.gz NPYAQLZHSRHZSN-UHFFFAOYSA-N 1 3 302.340 2.645 20 0 DFADHO c1nc(-c2ccccc2)[nH]c1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357051686 158356997 /nfs/dbraw/zinc/35/69/97/158356997.db2.gz NFBJCGBAHUVKGG-KRWDZBQOSA-N 1 3 310.445 2.898 20 0 DFADHO c1cc(-c2n[nH]cc2CN2CCC([C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000357057074 158358091 /nfs/dbraw/zinc/35/80/91/158358091.db2.gz UCLNRUWCDSWFEL-CQSZACIVSA-N 1 3 316.474 2.960 20 0 DFADHO COCCCOc1cccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000358343434 158371353 /nfs/dbraw/zinc/37/13/53/158371353.db2.gz HVPFQBWEKOSUAF-MAUKXSAKSA-N 1 3 306.450 2.532 20 0 DFADHO COCCCOc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000358343434 158371354 /nfs/dbraw/zinc/37/13/54/158371354.db2.gz HVPFQBWEKOSUAF-MAUKXSAKSA-N 1 3 306.450 2.532 20 0 DFADHO c1cc(-c2n[nH]cc2CN2CCC3(CC[NH2+]C3)CC2)cs1 ZINC000430929103 296812730 /nfs/dbraw/zinc/81/27/30/296812730.db2.gz VZNYBMOJTXFBDQ-UHFFFAOYSA-N 1 3 302.447 2.714 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(N2CCOC2=O)c1 ZINC000132103663 196226427 /nfs/dbraw/zinc/22/64/27/196226427.db2.gz ZXZFCNLYZATNEV-CQSZACIVSA-N 1 3 319.449 2.882 20 0 DFADHO CCc1ccc([C@@H](C[NH2+][C@@H]2CCN(C)[C@H](C)C2)N(C)C)cc1 ZINC000133806780 196337693 /nfs/dbraw/zinc/33/76/93/196337693.db2.gz JJVUHZVLMHHSTC-ATZDWAIDSA-N 1 3 303.494 2.924 20 0 DFADHO CCc1ccc([C@@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000133806780 196337694 /nfs/dbraw/zinc/33/76/94/196337694.db2.gz JJVUHZVLMHHSTC-ATZDWAIDSA-N 1 3 303.494 2.924 20 0 DFADHO CCc1ccc([C@@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000133806780 196337696 /nfs/dbraw/zinc/33/76/96/196337696.db2.gz JJVUHZVLMHHSTC-ATZDWAIDSA-N 1 3 303.494 2.924 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(OCCN(C)C)cc1 ZINC000134023922 196354834 /nfs/dbraw/zinc/35/48/34/196354834.db2.gz DIKBNOAZXDGRQV-MRXNPFEDSA-N 1 3 320.477 2.973 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCCCC1)c1cccc(OCCN(C)C)c1 ZINC000134053478 196357350 /nfs/dbraw/zinc/35/73/50/196357350.db2.gz PGAAQTIDZUSVGF-INIZCTEOSA-N 1 3 320.477 2.973 20 0 DFADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000134170837 196367708 /nfs/dbraw/zinc/36/77/08/196367708.db2.gz PGVOXXIBOKYGJI-JYJNAYRXSA-N 1 3 307.507 2.815 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](c1cccs1)N1CCCC1 ZINC000134170837 196367709 /nfs/dbraw/zinc/36/77/09/196367709.db2.gz PGVOXXIBOKYGJI-JYJNAYRXSA-N 1 3 307.507 2.815 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1cccs1)N1CCCC1 ZINC000134170837 196367711 /nfs/dbraw/zinc/36/77/11/196367711.db2.gz PGVOXXIBOKYGJI-JYJNAYRXSA-N 1 3 307.507 2.815 20 0 DFADHO CC(=O)Nc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000134208231 196371303 /nfs/dbraw/zinc/37/13/03/196371303.db2.gz NIWNPPDUSBNDEO-UHFFFAOYSA-N 1 3 315.461 2.953 20 0 DFADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000371338102 287295597 /nfs/dbraw/zinc/29/55/97/287295597.db2.gz YOIURSVQTLQOSN-VXIBKDFQSA-N 1 3 307.526 2.959 20 0 DFADHO CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccccc1OC ZINC000150994614 196614198 /nfs/dbraw/zinc/61/41/98/196614198.db2.gz PZUKCUPXVVCAAW-SFHVURJKSA-N 1 3 319.493 2.762 20 0 DFADHO COCCc1ccc(OC[C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000667860205 543693774 /nfs/dbraw/zinc/69/37/74/543693774.db2.gz JETMYSCKAVGVIO-AEFFLSMTSA-N 1 3 320.477 2.574 20 0 DFADHO COCCc1ccc(OC[C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000667860205 543693777 /nfs/dbraw/zinc/69/37/77/543693777.db2.gz JETMYSCKAVGVIO-AEFFLSMTSA-N 1 3 320.477 2.574 20 0 DFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(CN)c1 ZINC000667728186 543667697 /nfs/dbraw/zinc/66/76/97/543667697.db2.gz PGVOPRZGSLCWGF-QGZVFWFLSA-N 1 3 318.465 2.921 20 0 DFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(CN)c1 ZINC000667728186 543667699 /nfs/dbraw/zinc/66/76/99/543667699.db2.gz PGVOPRZGSLCWGF-QGZVFWFLSA-N 1 3 318.465 2.921 20 0 DFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(CN)c1 ZINC000667728185 543667841 /nfs/dbraw/zinc/66/78/41/543667841.db2.gz PGVOPRZGSLCWGF-KRWDZBQOSA-N 1 3 318.465 2.921 20 0 DFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(CN)c1 ZINC000667728185 543667843 /nfs/dbraw/zinc/66/78/43/543667843.db2.gz PGVOPRZGSLCWGF-KRWDZBQOSA-N 1 3 318.465 2.921 20 0 DFADHO CCN(CC)CCC[N@H+](CC)C[C@@H]1CCO[C@H]1c1nccn1C ZINC000668165151 543755597 /nfs/dbraw/zinc/75/55/97/543755597.db2.gz NTSAZLGWHIPECN-DLBZAZTESA-N 1 3 322.497 2.552 20 0 DFADHO CCN(CC)CCC[N@@H+](CC)C[C@@H]1CCO[C@H]1c1nccn1C ZINC000668165151 543755598 /nfs/dbraw/zinc/75/55/98/543755598.db2.gz NTSAZLGWHIPECN-DLBZAZTESA-N 1 3 322.497 2.552 20 0 DFADHO CCN(CCC[NH+](CC)CC)C[C@@H]1CCO[C@H]1c1nccn1C ZINC000668165151 543755600 /nfs/dbraw/zinc/75/56/00/543755600.db2.gz NTSAZLGWHIPECN-DLBZAZTESA-N 1 3 322.497 2.552 20 0 DFADHO COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000668188416 543763325 /nfs/dbraw/zinc/76/33/25/543763325.db2.gz HQDOUXKRGYYVOP-QFBILLFUSA-N 1 3 318.461 2.628 20 0 DFADHO COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000668188416 543763328 /nfs/dbraw/zinc/76/33/28/543763328.db2.gz HQDOUXKRGYYVOP-QFBILLFUSA-N 1 3 318.461 2.628 20 0 DFADHO C[C@@H](CCc1ccccc1)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668739175 543857923 /nfs/dbraw/zinc/85/79/23/543857923.db2.gz KAGBDOGDMKPFCP-FXAWDEMLSA-N 1 3 316.489 2.786 20 0 DFADHO C[C@@H](CCc1ccccc1)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668739175 543857927 /nfs/dbraw/zinc/85/79/27/543857927.db2.gz KAGBDOGDMKPFCP-FXAWDEMLSA-N 1 3 316.489 2.786 20 0 DFADHO C[C@@H](O)[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000668787508 543867418 /nfs/dbraw/zinc/86/74/18/543867418.db2.gz BAHSQMDNBFWHSM-BEFAXECRSA-N 1 3 311.429 2.762 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000296654701 226090683 /nfs/dbraw/zinc/09/06/83/226090683.db2.gz ZEFFHVNVGFXLLJ-WMLDXEAASA-N 1 3 306.450 2.845 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CCCc3sccc3C2)CC1 ZINC000669689860 543984231 /nfs/dbraw/zinc/98/42/31/543984231.db2.gz LSXJXAFITPDVIA-UHFFFAOYSA-N 1 3 321.534 2.912 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CCCc3sccc3C2)CC1 ZINC000669689860 543984233 /nfs/dbraw/zinc/98/42/33/543984233.db2.gz LSXJXAFITPDVIA-UHFFFAOYSA-N 1 3 321.534 2.912 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671750355 544106773 /nfs/dbraw/zinc/10/67/73/544106773.db2.gz SQJDRIMKCUPUQC-TZMCWYRMSA-N 1 3 321.421 2.541 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](CO)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000672619131 544143742 /nfs/dbraw/zinc/14/37/42/544143742.db2.gz JEJNDFSKGJAWDO-QRTARXTBSA-N 1 3 310.869 2.736 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](CO)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000672619131 544143744 /nfs/dbraw/zinc/14/37/44/544143744.db2.gz JEJNDFSKGJAWDO-QRTARXTBSA-N 1 3 310.869 2.736 20 0 DFADHO CCCc1cc(N2CCC([NH2+]CCO)CC2)c2ccccc2n1 ZINC000290949636 222022090 /nfs/dbraw/zinc/02/20/90/222022090.db2.gz MPFNJATYNWVQRO-UHFFFAOYSA-N 1 3 313.445 2.738 20 0 DFADHO COc1cccc([C@@H](C)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000674049780 544216151 /nfs/dbraw/zinc/21/61/51/544216151.db2.gz ZKGIJSZORMWVCG-BEFAXECRSA-N 1 3 318.461 2.989 20 0 DFADHO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C1(C)C ZINC000674677501 544250607 /nfs/dbraw/zinc/25/06/07/544250607.db2.gz JIZRZDFKAVGDQX-DLBZAZTESA-N 1 3 306.450 2.530 20 0 DFADHO c1n[nH]cc1CC[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000297566252 227309973 /nfs/dbraw/zinc/30/99/73/227309973.db2.gz CMYSXGOYHFODBJ-WOJBJXKFSA-N 1 3 324.472 2.939 20 0 DFADHO c1n[nH]cc1CC[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000297566252 227309977 /nfs/dbraw/zinc/30/99/77/227309977.db2.gz CMYSXGOYHFODBJ-WOJBJXKFSA-N 1 3 324.472 2.939 20 0 DFADHO Cc1nccc([C@H]2CCC[N@@H+](CC[C@H]3CCCCN3C)C2)n1 ZINC000675492836 544315701 /nfs/dbraw/zinc/31/57/01/544315701.db2.gz GNNORRIFVHCRSM-DLBZAZTESA-N 1 3 302.466 2.839 20 0 DFADHO Cc1nccc([C@H]2CCC[N@H+](CC[C@H]3CCCCN3C)C2)n1 ZINC000675492836 544315703 /nfs/dbraw/zinc/31/57/03/544315703.db2.gz GNNORRIFVHCRSM-DLBZAZTESA-N 1 3 302.466 2.839 20 0 DFADHO CC(C)[NH+]1CCC(NCCN2CCCc3ccccc32)CC1 ZINC000675783092 544336195 /nfs/dbraw/zinc/33/61/95/544336195.db2.gz AZKVESNMNSGFFX-UHFFFAOYSA-N 1 3 301.478 2.902 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccc(OCCN(C)C)cc1 ZINC000675766791 544334493 /nfs/dbraw/zinc/33/44/93/544334493.db2.gz OLZFBANPVMRJEI-UAGQMJEPSA-N 1 3 306.450 2.581 20 0 DFADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000675809947 544338200 /nfs/dbraw/zinc/33/82/00/544338200.db2.gz ASEZQSRYXFQXOQ-QGZVFWFLSA-N 1 3 317.477 2.738 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1C(C)(C)C1(C)C ZINC000676560261 544385838 /nfs/dbraw/zinc/38/58/38/544385838.db2.gz KYOCIHJYJAEURP-HUUCEWRRSA-N 1 3 307.526 2.815 20 0 DFADHO Cc1nc([C@@H](C)NCC2CC[NH+](CCN(C)C)CC2)c(C)s1 ZINC000676490271 544379342 /nfs/dbraw/zinc/37/93/42/544379342.db2.gz PJYJZEFYYDQXDX-CYBMUJFWSA-N 1 3 324.538 2.684 20 0 DFADHO C[C@H]1COCCCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678275330 544641068 /nfs/dbraw/zinc/64/10/68/544641068.db2.gz VUJMHGYHDZZDFA-KRWDZBQOSA-N 1 3 318.461 2.772 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000678827601 544731273 /nfs/dbraw/zinc/73/12/73/544731273.db2.gz AVGQNJNFVNLFNM-INIZCTEOSA-N 1 3 304.478 2.741 20 0 DFADHO C[C@H]1CCc2ccccc2[C@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000678766388 544716733 /nfs/dbraw/zinc/71/67/33/544716733.db2.gz KEURWASJSHSTQA-JXFKEZNVSA-N 1 3 315.505 2.926 20 0 DFADHO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000678765872 544716961 /nfs/dbraw/zinc/71/69/61/544716961.db2.gz HLEOJKAXZKHESS-YLJYHZDGSA-N 1 3 315.505 2.927 20 0 DFADHO Cc1cc(N2CCN(C)CC2)ccc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000678999381 544766141 /nfs/dbraw/zinc/76/61/41/544766141.db2.gz AONBIORCUATUGP-IRXDYDNUSA-N 1 3 316.493 2.641 20 0 DFADHO Cc1cc(N2CCN(C)CC2)ccc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000678999381 544766143 /nfs/dbraw/zinc/76/61/43/544766143.db2.gz AONBIORCUATUGP-IRXDYDNUSA-N 1 3 316.493 2.641 20 0 DFADHO COCC1(C)CC[NH+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000679422640 544852465 /nfs/dbraw/zinc/85/24/65/544852465.db2.gz PJZFYUBVYIWOMZ-UHFFFAOYSA-N 1 3 320.477 2.876 20 0 DFADHO CC(C)(O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000679721598 544905879 /nfs/dbraw/zinc/90/58/79/544905879.db2.gz PFUUYVPDIUGFAX-KZNAEPCWSA-N 1 3 302.462 2.648 20 0 DFADHO CO[C@@H]1CCCN(C[C@@H](C)C[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953866 544932853 /nfs/dbraw/zinc/93/28/53/544932853.db2.gz XOIAXMAUOABMJR-NNZMDNLPSA-N 1 3 312.498 2.624 20 0 DFADHO CO[C@@H]1CCCN(C[C@@H](C)C[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953866 544932856 /nfs/dbraw/zinc/93/28/56/544932856.db2.gz XOIAXMAUOABMJR-NNZMDNLPSA-N 1 3 312.498 2.624 20 0 DFADHO CO[C@@H]1CCC[N@@H+](C[C@@H](C)CN2CCC[C@H](OC)CC2)CC1 ZINC000679953866 544932857 /nfs/dbraw/zinc/93/28/57/544932857.db2.gz XOIAXMAUOABMJR-NNZMDNLPSA-N 1 3 312.498 2.624 20 0 DFADHO CO[C@@H]1CCC[N@H+](C[C@@H](C)CN2CCC[C@H](OC)CC2)CC1 ZINC000679953866 544932860 /nfs/dbraw/zinc/93/28/60/544932860.db2.gz XOIAXMAUOABMJR-NNZMDNLPSA-N 1 3 312.498 2.624 20 0 DFADHO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(OCCN(C)C)cc2)CCO1 ZINC000680142047 544963690 /nfs/dbraw/zinc/96/36/90/544963690.db2.gz QXKXRNAIVBZDKT-IRXDYDNUSA-N 1 3 320.477 2.922 20 0 DFADHO C[C@H]([NH2+]CCCc1cnn(C)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000680401421 545004642 /nfs/dbraw/zinc/00/46/42/545004642.db2.gz ZCVLUJUAJVNOTC-DOTOQJQBSA-N 1 3 304.482 2.595 20 0 DFADHO CCC[NH+]1CCC(N2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC000124453904 425919858 /nfs/dbraw/zinc/91/98/58/425919858.db2.gz DBUSIPPXWJEHKQ-SFHVURJKSA-N 1 3 305.510 2.835 20 0 DFADHO CC[C@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1ccccc1OC ZINC000155722911 425925087 /nfs/dbraw/zinc/92/50/87/425925087.db2.gz NIVGDDMGGDCQRI-AEFFLSMTSA-N 1 3 319.493 2.762 20 0 DFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH+]1CCCCC1 ZINC000155870255 425929504 /nfs/dbraw/zinc/92/95/04/425929504.db2.gz OAVJRXSXDOWBIL-MRXNPFEDSA-N 1 3 317.477 2.600 20 0 DFADHO CC[NH+](CC)CCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000044292710 425856076 /nfs/dbraw/zinc/85/60/76/425856076.db2.gz WBNZYDDSPTUFLG-UHFFFAOYSA-N 1 3 306.454 2.602 20 0 DFADHO COC(=O)C1CCC([NH2+]CCCN2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000192439372 268037053 /nfs/dbraw/zinc/03/70/53/268037053.db2.gz GYUDQNSXQXJWAV-NUWOQIAWSA-N 1 3 310.482 2.676 20 0 DFADHO COC(=O)C1CCC([NH2+]CCCN(C)C2CCCCC2)CC1 ZINC000192438401 268037250 /nfs/dbraw/zinc/03/72/50/268037250.db2.gz SXMFPZYUVCQYEV-UHFFFAOYSA-N 1 3 310.482 2.962 20 0 DFADHO CCCN(CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000222408679 268141305 /nfs/dbraw/zinc/14/13/05/268141305.db2.gz JCVVCPPRYMBUSH-LSDHHAIUSA-N 1 3 313.486 2.706 20 0 DFADHO CCCN(CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000222408679 268141306 /nfs/dbraw/zinc/14/13/06/268141306.db2.gz JCVVCPPRYMBUSH-LSDHHAIUSA-N 1 3 313.486 2.706 20 0 DFADHO CCC[C@H](N)C(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000236793631 268150521 /nfs/dbraw/zinc/15/05/21/268150521.db2.gz PGJYWKZIXBKHMJ-SZMVWBNQSA-N 1 3 317.477 2.798 20 0 DFADHO CCC[C@H](N)C(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000236793631 268150523 /nfs/dbraw/zinc/15/05/23/268150523.db2.gz PGJYWKZIXBKHMJ-SZMVWBNQSA-N 1 3 317.477 2.798 20 0 DFADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000237039656 268153812 /nfs/dbraw/zinc/15/38/12/268153812.db2.gz FKFUHUTYGVAARQ-ZWKOTPCHSA-N 1 3 317.477 2.662 20 0 DFADHO CCC[C@@](C)([NH3+])C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000261552521 268168765 /nfs/dbraw/zinc/16/87/65/268168765.db2.gz RPCVOVHJQCHJDO-LJQANCHMSA-N 1 3 317.477 2.627 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000268823655 268185610 /nfs/dbraw/zinc/18/56/10/268185610.db2.gz OSEJWTZHFRQRMO-JKSUJKDBSA-N 1 3 317.477 2.533 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000268823655 268185612 /nfs/dbraw/zinc/18/56/12/268185612.db2.gz OSEJWTZHFRQRMO-JKSUJKDBSA-N 1 3 317.477 2.533 20 0 DFADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268802018 268186352 /nfs/dbraw/zinc/18/63/52/268186352.db2.gz YXPIJUHCXMEHJO-SJORKVTESA-N 1 3 317.477 2.516 20 0 DFADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268802018 268186353 /nfs/dbraw/zinc/18/63/53/268186353.db2.gz YXPIJUHCXMEHJO-SJORKVTESA-N 1 3 317.477 2.516 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268802018 268186354 /nfs/dbraw/zinc/18/63/54/268186354.db2.gz YXPIJUHCXMEHJO-SJORKVTESA-N 1 3 317.477 2.516 20 0 DFADHO c1ccc(CN2CC[C@@H](N3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000271470974 268249766 /nfs/dbraw/zinc/24/97/66/268249766.db2.gz YYBFGNKKVBNROG-WOJBJXKFSA-N 1 3 313.489 2.679 20 0 DFADHO C[C@H](c1nc2ccccc2o1)N(C)CCCN(C)CC[NH+](C)C ZINC000289173303 268279850 /nfs/dbraw/zinc/27/98/50/268279850.db2.gz FMSZOYNQZUEWKL-OAHLLOKOSA-N 1 3 318.465 2.704 20 0 DFADHO c1ccc2c(c1)CCN2CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000321004984 268348115 /nfs/dbraw/zinc/34/81/15/268348115.db2.gz RDXMDBFMWFKFJL-OTWHNJEPSA-N 1 3 313.489 2.950 20 0 DFADHO C[C@H]1[NH2+]CCC[C@H]1NC1CCC2(CC1)c1ccccc1NC2=O ZINC000333289184 268389233 /nfs/dbraw/zinc/38/92/33/268389233.db2.gz OCPZGHSJOLVRFI-NYNFEOTOSA-N 1 3 313.445 2.549 20 0 DFADHO COCCCCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000103227878 425939242 /nfs/dbraw/zinc/93/92/42/425939242.db2.gz SXBAGRXMKHFQMR-IAGOWNOFSA-N 1 3 312.498 2.624 20 0 DFADHO CCC[C@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)N(C)C ZINC000161612097 426032280 /nfs/dbraw/zinc/03/22/80/426032280.db2.gz IVYOYCGLSIBJEK-GOSISDBHSA-N 1 3 319.493 2.873 20 0 DFADHO CCC[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)N(C)C ZINC000161612097 426032282 /nfs/dbraw/zinc/03/22/82/426032282.db2.gz IVYOYCGLSIBJEK-GOSISDBHSA-N 1 3 319.493 2.873 20 0 DFADHO C(CN1CC[C@H]2[C@H](CCCN2C2CC2)C1)C[NH+]1CCCCC1 ZINC000161984495 426048415 /nfs/dbraw/zinc/04/84/15/426048415.db2.gz KBXLNPIXIHCMAY-MJGOQNOKSA-N 1 3 305.510 2.811 20 0 DFADHO Cc1ccccc1CN1CCC([NH2+][C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000162145730 426054219 /nfs/dbraw/zinc/05/42/19/426054219.db2.gz VASHGEKKWPVYML-PXNSSMCTSA-N 1 3 315.505 2.889 20 0 DFADHO Cc1ccccc1CN1CCC([NH2+][C@@H]2CCN(C)C[C@@H]2C)CC1 ZINC000162145637 426054408 /nfs/dbraw/zinc/05/44/08/426054408.db2.gz VASHGEKKWPVYML-FXAWDEMLSA-N 1 3 315.505 2.889 20 0 DFADHO C[C@@H](NCC1CC[NH+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000126352997 426016541 /nfs/dbraw/zinc/01/65/41/426016541.db2.gz UMXDRQGFDXIVMF-MRXNPFEDSA-N 1 3 312.461 2.924 20 0 DFADHO NC[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000128201006 426106455 /nfs/dbraw/zinc/10/64/55/426106455.db2.gz SSPMMHVQGCDJSJ-LLVKDONJSA-N 1 3 316.232 2.745 20 0 DFADHO NC[C@H]1CCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000128201006 426106458 /nfs/dbraw/zinc/10/64/58/426106458.db2.gz SSPMMHVQGCDJSJ-LLVKDONJSA-N 1 3 316.232 2.745 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C(C)(C)N)C1 ZINC000164843698 426118085 /nfs/dbraw/zinc/11/80/85/426118085.db2.gz OKMYERLYPBWMCU-GASCZTMLSA-N 1 3 317.477 2.518 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C(C)(C)N)C1 ZINC000164843698 426118087 /nfs/dbraw/zinc/11/80/87/426118087.db2.gz OKMYERLYPBWMCU-GASCZTMLSA-N 1 3 317.477 2.518 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167621984 426133283 /nfs/dbraw/zinc/13/32/83/426133283.db2.gz RVRVPGHSBWWTGY-YCPHGPKFSA-N 1 3 305.466 2.605 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000167619166 426133664 /nfs/dbraw/zinc/13/36/64/426133664.db2.gz UAGVIAFIGMEPAQ-OIISXLGYSA-N 1 3 317.477 2.750 20 0 DFADHO C[C@H](C[NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)cc1 ZINC000127581228 426073650 /nfs/dbraw/zinc/07/36/50/426073650.db2.gz ZEFYJYBYXCTEIU-OAHLLOKOSA-N 1 3 307.457 2.545 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000162841356 426079544 /nfs/dbraw/zinc/07/95/44/426079544.db2.gz NIQBJNKRVBYRAO-KRWDZBQOSA-N 1 3 305.441 2.822 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000162841356 426079545 /nfs/dbraw/zinc/07/95/45/426079545.db2.gz NIQBJNKRVBYRAO-KRWDZBQOSA-N 1 3 305.441 2.822 20 0 DFADHO C[C@@H]1C[C@@H](NCCc2ccn(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000127677097 426079895 /nfs/dbraw/zinc/07/98/95/426079895.db2.gz PBFKLRNBKXCMFS-PBHICJAKSA-N 1 3 316.424 2.626 20 0 DFADHO C[C@@H]1C[C@@H](NCCc2ccn(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC000127677097 426079896 /nfs/dbraw/zinc/07/98/96/426079896.db2.gz PBFKLRNBKXCMFS-PBHICJAKSA-N 1 3 316.424 2.626 20 0 DFADHO Cc1nccn1CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000130301830 426153889 /nfs/dbraw/zinc/15/38/89/426153889.db2.gz QYZCLNBTVIDOQK-MJGOQNOKSA-N 1 3 316.493 2.920 20 0 DFADHO Cc1nccn1CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000130301830 426153890 /nfs/dbraw/zinc/15/38/90/426153890.db2.gz QYZCLNBTVIDOQK-MJGOQNOKSA-N 1 3 316.493 2.920 20 0 DFADHO Cc1nccn1CCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000130301830 426153892 /nfs/dbraw/zinc/15/38/92/426153892.db2.gz QYZCLNBTVIDOQK-MJGOQNOKSA-N 1 3 316.493 2.920 20 0 DFADHO Cc1nccn1CCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000130301830 426153893 /nfs/dbraw/zinc/15/38/93/426153893.db2.gz QYZCLNBTVIDOQK-MJGOQNOKSA-N 1 3 316.493 2.920 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000134170656 426186158 /nfs/dbraw/zinc/18/61/58/426186158.db2.gz PGVOXXIBOKYGJI-PMPSAXMXSA-N 1 3 307.507 2.815 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](c1cccs1)N1CCCC1 ZINC000134170656 426186161 /nfs/dbraw/zinc/18/61/61/426186161.db2.gz PGVOXXIBOKYGJI-PMPSAXMXSA-N 1 3 307.507 2.815 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1cccs1)N1CCCC1 ZINC000134170656 426186164 /nfs/dbraw/zinc/18/61/64/426186164.db2.gz PGVOXXIBOKYGJI-PMPSAXMXSA-N 1 3 307.507 2.815 20 0 DFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172623860 426229393 /nfs/dbraw/zinc/22/93/93/426229393.db2.gz KCGLVAVZZICBDW-SFHVURJKSA-N 1 3 321.509 2.726 20 0 DFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172623860 426229397 /nfs/dbraw/zinc/22/93/97/426229397.db2.gz KCGLVAVZZICBDW-SFHVURJKSA-N 1 3 321.509 2.726 20 0 DFADHO Cc1ccc2c(C[N@@H+](C)C[C@@H]3CCCN(C)C3)cc(=O)oc2c1 ZINC000118843207 426247539 /nfs/dbraw/zinc/24/75/39/426247539.db2.gz YEHKQOHFMCXMFS-OAHLLOKOSA-N 1 3 314.429 2.875 20 0 DFADHO Cc1ccc2c(C[N@H+](C)C[C@@H]3CCCN(C)C3)cc(=O)oc2c1 ZINC000118843207 426247540 /nfs/dbraw/zinc/24/75/40/426247540.db2.gz YEHKQOHFMCXMFS-OAHLLOKOSA-N 1 3 314.429 2.875 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000119113543 426263964 /nfs/dbraw/zinc/26/39/64/426263964.db2.gz JVPHIVISLZFTGN-LCLWPZTBSA-N 1 3 315.505 2.969 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000150949913 426269323 /nfs/dbraw/zinc/26/93/23/426269323.db2.gz IWQZMWXYMZVXAP-FQEVSTJZSA-N 1 3 315.505 2.623 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)N(C)C ZINC000151547074 426301209 /nfs/dbraw/zinc/30/12/09/426301209.db2.gz PGSBRMBXXDZTPM-ZWKOTPCHSA-N 1 3 323.525 2.543 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(CCO)CC1)c1cc2ccccc2o1 ZINC000151878077 426316676 /nfs/dbraw/zinc/31/66/76/426316676.db2.gz ZEFXIIMXQBOZFV-CQSZACIVSA-N 1 3 302.418 2.788 20 0 DFADHO CCN(CC)C(=O)C[C@@H](C)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000090585192 426329710 /nfs/dbraw/zinc/32/97/10/426329710.db2.gz NVRRXPYLBQOPSF-IAGOWNOFSA-N 1 3 311.514 2.591 20 0 DFADHO CCN(CC)C(=O)C[C@@H](C)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585192 426329712 /nfs/dbraw/zinc/32/97/12/426329712.db2.gz NVRRXPYLBQOPSF-IAGOWNOFSA-N 1 3 311.514 2.591 20 0 DFADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000090585192 426329715 /nfs/dbraw/zinc/32/97/15/426329715.db2.gz NVRRXPYLBQOPSF-IAGOWNOFSA-N 1 3 311.514 2.591 20 0 DFADHO COC[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C1CC1 ZINC000090717283 426330212 /nfs/dbraw/zinc/33/02/12/426330212.db2.gz ZEUUZGUDRXWHHJ-KBXCAEBGSA-N 1 3 306.450 2.703 20 0 DFADHO Cc1cccc(NC[C@H]2CC[N@@H+](CCN3CCC(C)CC3)C2)n1 ZINC000153677343 426398483 /nfs/dbraw/zinc/39/84/83/426398483.db2.gz LKSHUBSBGVXTJZ-GOSISDBHSA-N 1 3 316.493 2.856 20 0 DFADHO Cc1cccc(NC[C@H]2CC[N@H+](CCN3CCC(C)CC3)C2)n1 ZINC000153677343 426398484 /nfs/dbraw/zinc/39/84/84/426398484.db2.gz LKSHUBSBGVXTJZ-GOSISDBHSA-N 1 3 316.493 2.856 20 0 DFADHO C[C@H]1CCC[C@H](CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000092796436 426352819 /nfs/dbraw/zinc/35/28/19/426352819.db2.gz ZGAPTDHKWBDIKK-FHWLQOOXSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@H]1CCC[C@H](CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000092796436 426352821 /nfs/dbraw/zinc/35/28/21/426352821.db2.gz ZGAPTDHKWBDIKK-FHWLQOOXSA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)CNC(=O)[C@@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121805186 426353824 /nfs/dbraw/zinc/35/38/24/426353824.db2.gz FEQXHQXOWDZIEA-QGZVFWFLSA-N 1 3 323.525 2.735 20 0 DFADHO CCSCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000123041624 426410173 /nfs/dbraw/zinc/41/01/73/426410173.db2.gz MLAOMLUHFGETFQ-GASCZTMLSA-N 1 3 300.512 2.561 20 0 DFADHO CC(C)CCNC(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123203692 426419561 /nfs/dbraw/zinc/41/95/61/426419561.db2.gz KZGCJHFPZBZOJY-MRXNPFEDSA-N 1 3 311.514 2.591 20 0 DFADHO CCc1ccc([C@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000154231225 426431333 /nfs/dbraw/zinc/43/13/33/426431333.db2.gz RRXMKOOHRBSEKQ-KRWDZBQOSA-N 1 3 303.494 2.927 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](CC(C)C)c2ccccn2)CC1 ZINC000154226947 426431853 /nfs/dbraw/zinc/43/18/53/426431853.db2.gz GRMBAOBIEBYMKH-IBGZPJMESA-N 1 3 318.509 2.786 20 0 DFADHO COCCCN(CCc1ccc(OC)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000340706112 269002392 /nfs/dbraw/zinc/00/23/92/269002392.db2.gz FYLYYVINWKIPAZ-IBGZPJMESA-N 1 3 320.477 2.576 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCCCC1 ZINC000341000023 269035712 /nfs/dbraw/zinc/03/57/12/269035712.db2.gz HIABYDDTUOPNIC-ROUUACIJSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000341332201 269071146 /nfs/dbraw/zinc/07/11/46/269071146.db2.gz SOUXREDPZMDGRQ-NXJYUQPGSA-N 1 3 302.462 2.646 20 0 DFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)C2CC2)CC1 ZINC000177223756 426456755 /nfs/dbraw/zinc/45/67/55/426456755.db2.gz WKHDZJYSDKLPIU-INIZCTEOSA-N 1 3 301.478 2.712 20 0 DFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)NCC1CCCCC1 ZINC000177309448 426466148 /nfs/dbraw/zinc/46/61/48/426466148.db2.gz MJXPNPNNZBIXDP-MSOLQXFVSA-N 1 3 321.509 2.632 20 0 DFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)NCC1CCCCC1 ZINC000177309448 426466150 /nfs/dbraw/zinc/46/61/50/426466150.db2.gz MJXPNPNNZBIXDP-MSOLQXFVSA-N 1 3 321.509 2.632 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000124160007 426473500 /nfs/dbraw/zinc/47/35/00/426473500.db2.gz WRLHUUGZARMRAK-GOEBONIOSA-N 1 3 306.450 2.566 20 0 DFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccccc1Cl ZINC000177384891 426474573 /nfs/dbraw/zinc/47/45/73/426474573.db2.gz HGZRTXSYMGFXDH-UHFFFAOYSA-N 1 3 309.885 2.798 20 0 DFADHO C[NH+](C)CCC1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000101726960 426486082 /nfs/dbraw/zinc/48/60/82/426486082.db2.gz BJFFUVVBJPUFLN-UHFFFAOYSA-N 1 3 304.434 2.622 20 0 DFADHO CC1(C)OCc2cc(C[NH2+]C[C@H]3CCN(C4CC4)C3)ccc2O1 ZINC000186364422 426512568 /nfs/dbraw/zinc/51/25/68/426512568.db2.gz DIJRRAQWUDBALD-OAHLLOKOSA-N 1 3 316.445 2.906 20 0 DFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000177750939 426514489 /nfs/dbraw/zinc/51/44/89/426514489.db2.gz FXYUVGSABASKPQ-IJEWVQPXSA-N 1 3 317.433 2.777 20 0 DFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000177750939 426514490 /nfs/dbraw/zinc/51/44/90/426514490.db2.gz FXYUVGSABASKPQ-IJEWVQPXSA-N 1 3 317.433 2.777 20 0 DFADHO Cc1cnn(CCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272469882 426533236 /nfs/dbraw/zinc/53/32/36/426533236.db2.gz LEFKWKRFIOTKDN-PKOBYXMFSA-N 1 3 312.461 2.692 20 0 DFADHO Cc1cnn(CCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272469882 426533241 /nfs/dbraw/zinc/53/32/41/426533241.db2.gz LEFKWKRFIOTKDN-PKOBYXMFSA-N 1 3 312.461 2.692 20 0 DFADHO C/C=C/C[C@@H](CO)[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000186510231 426540743 /nfs/dbraw/zinc/54/07/43/426540743.db2.gz YKPORBWMBCVVTD-HEWCPETLSA-N 1 3 314.473 2.814 20 0 DFADHO C[C@H]1C[C@@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@@H+]1C ZINC000177936945 426544063 /nfs/dbraw/zinc/54/40/63/426544063.db2.gz YHJZYVFFDZJPND-IYJAJMOOSA-N 1 3 316.445 2.981 20 0 DFADHO C[C@H]1C[C@@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@H+]1C ZINC000177936945 426544079 /nfs/dbraw/zinc/54/40/79/426544079.db2.gz YHJZYVFFDZJPND-IYJAJMOOSA-N 1 3 316.445 2.981 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CCN1C ZINC000177968724 426547683 /nfs/dbraw/zinc/54/76/83/426547683.db2.gz UUUNHBTVGJRMKJ-YLJYHZDGSA-N 1 3 315.505 2.766 20 0 DFADHO COc1ccsc1[C@@H](C)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000186159825 426490113 /nfs/dbraw/zinc/49/01/13/426490113.db2.gz ZIVQJTXAKVPTCM-ZIAGYGMSSA-N 1 3 312.479 2.644 20 0 DFADHO COc1ccsc1[C@@H](C)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000186159825 426490116 /nfs/dbraw/zinc/49/01/16/426490116.db2.gz ZIVQJTXAKVPTCM-ZIAGYGMSSA-N 1 3 312.479 2.644 20 0 DFADHO Cc1cc(C)c(C[NH+]2CCC(N(C)CCCO)CC2)c(C)c1 ZINC000265191159 426595156 /nfs/dbraw/zinc/59/51/56/426595156.db2.gz HHMAJZGNMWHONH-UHFFFAOYSA-N 1 3 304.478 2.890 20 0 DFADHO COCCC[C@@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000178307059 426602828 /nfs/dbraw/zinc/60/28/28/426602828.db2.gz KIFLJCICKXWPKN-MRXNPFEDSA-N 1 3 320.477 2.548 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280354003 426556514 /nfs/dbraw/zinc/55/65/14/426556514.db2.gz SQBDGUQKKNRNQL-IBGZPJMESA-N 1 3 316.493 2.538 20 0 DFADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1cnn(C)c1 ZINC000272562496 426558829 /nfs/dbraw/zinc/55/88/29/426558829.db2.gz NXDIRDIXOXFNFD-LWCVALJOSA-N 1 3 324.472 2.981 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000280699139 426636684 /nfs/dbraw/zinc/63/66/84/426636684.db2.gz CBMSSKNBALGKMP-VQIMIIECSA-N 1 3 315.461 2.857 20 0 DFADHO CC[N@H+](CCCN1CCCC1)Cc1c[nH]nc1-c1cccnc1 ZINC000289418160 426651869 /nfs/dbraw/zinc/65/18/69/426651869.db2.gz IRVCEPZKWCDHEH-UHFFFAOYSA-N 1 3 313.449 2.780 20 0 DFADHO CC[N@@H+](CCCN1CCCC1)Cc1c[nH]nc1-c1cccnc1 ZINC000289418160 426651875 /nfs/dbraw/zinc/65/18/75/426651875.db2.gz IRVCEPZKWCDHEH-UHFFFAOYSA-N 1 3 313.449 2.780 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1nccs1 ZINC000235118828 426658846 /nfs/dbraw/zinc/65/88/46/426658846.db2.gz CJLQCQGEIDUKFL-ZDUSSCGKSA-N 1 3 302.447 2.900 20 0 DFADHO CCN(CC)[C@H](CNC(=O)CC1CC[NH2+]CC1)c1ccsc1 ZINC000236874751 426686952 /nfs/dbraw/zinc/68/69/52/426686952.db2.gz QPOJFEIHDAGCCA-MRXNPFEDSA-N 1 3 323.506 2.637 20 0 DFADHO CC[C@]1(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)OCCc2ccccc21 ZINC000289614778 426671404 /nfs/dbraw/zinc/67/14/04/426671404.db2.gz DGUOEJCTIULMEA-VDZJLULYSA-N 1 3 302.462 2.937 20 0 DFADHO CC[C@]1(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)OCCc2ccccc21 ZINC000289614778 426671411 /nfs/dbraw/zinc/67/14/11/426671411.db2.gz DGUOEJCTIULMEA-VDZJLULYSA-N 1 3 302.462 2.937 20 0 DFADHO CC(C)C[C@H](N)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000236703792 426678742 /nfs/dbraw/zinc/67/87/42/426678742.db2.gz XIHRXNXZYGUXNY-KRWDZBQOSA-N 1 3 305.466 2.516 20 0 DFADHO CC(C)C[C@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236703792 426678746 /nfs/dbraw/zinc/67/87/46/426678746.db2.gz XIHRXNXZYGUXNY-KRWDZBQOSA-N 1 3 305.466 2.516 20 0 DFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)C1 ZINC000236763179 426685454 /nfs/dbraw/zinc/68/54/54/426685454.db2.gz RRDZCLMARPOORL-XYJFISCASA-N 1 3 317.477 2.513 20 0 DFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)C1 ZINC000236763179 426685458 /nfs/dbraw/zinc/68/54/58/426685458.db2.gz RRDZCLMARPOORL-XYJFISCASA-N 1 3 317.477 2.513 20 0 DFADHO Cc1ccc(C)c([C@@H]2CCCN2C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289330403 426629799 /nfs/dbraw/zinc/62/97/99/426629799.db2.gz HQXNOTFPUQQRNF-HKUYNNGSSA-N 1 3 302.462 2.895 20 0 DFADHO Cc1ccc(C)c([C@@H]2CCCN2C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000289330403 426629801 /nfs/dbraw/zinc/62/98/01/426629801.db2.gz HQXNOTFPUQQRNF-HKUYNNGSSA-N 1 3 302.462 2.895 20 0 DFADHO C[C@@H]1C[C@@H](NCC2=CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000187741809 426689254 /nfs/dbraw/zinc/68/92/54/426689254.db2.gz QEPRSXNKBZYTJX-ZBFHGGJFSA-N 1 3 323.481 2.626 20 0 DFADHO C[C@@H]1C[C@@H](NCC2=CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000187741809 426689257 /nfs/dbraw/zinc/68/92/57/426689257.db2.gz QEPRSXNKBZYTJX-ZBFHGGJFSA-N 1 3 323.481 2.626 20 0 DFADHO [NH3+]Cc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000237981567 426700876 /nfs/dbraw/zinc/70/08/76/426700876.db2.gz SCNBBDJGZVZISH-IBGZPJMESA-N 1 3 323.440 2.712 20 0 DFADHO COC(=O)C1(C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000188676349 426776603 /nfs/dbraw/zinc/77/66/03/426776603.db2.gz GYKBEFPXLZPAKZ-GOEBONIOSA-N 1 3 308.466 2.572 20 0 DFADHO CC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)OC ZINC000290245498 426724380 /nfs/dbraw/zinc/72/43/80/426724380.db2.gz SWSUYVCDZLMQCQ-NCXUSEDFSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)OC ZINC000290245498 426724383 /nfs/dbraw/zinc/72/43/83/426724383.db2.gz SWSUYVCDZLMQCQ-NCXUSEDFSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)OC ZINC000290245498 426724385 /nfs/dbraw/zinc/72/43/85/426724385.db2.gz SWSUYVCDZLMQCQ-NCXUSEDFSA-N 1 3 302.462 2.912 20 0 DFADHO Brc1cccc2c1CN(CC1CC[NH2+]CC1)CC2 ZINC000178973993 426728198 /nfs/dbraw/zinc/72/81/98/426728198.db2.gz BOUCMISPLNEEMW-UHFFFAOYSA-N 1 3 309.251 2.807 20 0 DFADHO COc1c(O)cccc1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290297708 426733618 /nfs/dbraw/zinc/73/36/18/426733618.db2.gz AXXDVNWLTJBGFK-OAHLLOKOSA-N 1 3 304.434 2.565 20 0 DFADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OC(C)(C)C)cc1 ZINC000274301799 426738750 /nfs/dbraw/zinc/73/87/50/426738750.db2.gz QPAGQAALWPOAAD-WBVHZDCISA-N 1 3 320.477 2.971 20 0 DFADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OC(C)(C)C)cc1 ZINC000274301790 426739230 /nfs/dbraw/zinc/73/92/30/426739230.db2.gz QPAGQAALWPOAAD-DOTOQJQBSA-N 1 3 320.477 2.971 20 0 DFADHO CN1CCC([C@@H]2CC[N@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000290601170 426803256 /nfs/dbraw/zinc/80/32/56/426803256.db2.gz VYYOJMLXNYTDBR-GOSISDBHSA-N 1 3 300.446 2.785 20 0 DFADHO CN1CCC([C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000290601170 426803262 /nfs/dbraw/zinc/80/32/62/426803262.db2.gz VYYOJMLXNYTDBR-GOSISDBHSA-N 1 3 300.446 2.785 20 0 DFADHO COc1ccc(OC)c(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290618738 426806954 /nfs/dbraw/zinc/80/69/54/426806954.db2.gz XBEDDLFFYSGFNX-MRXNPFEDSA-N 1 3 318.461 2.868 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189253016 426832276 /nfs/dbraw/zinc/83/22/76/426832276.db2.gz NHFNLTYRWRNGQG-ZDUSSCGKSA-N 1 3 313.848 2.595 20 0 DFADHO CN1CCC[C@@H](C[N@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000274790023 426838410 /nfs/dbraw/zinc/83/84/10/426838410.db2.gz NRMGJRXSAGHVKP-MLGOLLRUSA-N 1 3 314.832 2.786 20 0 DFADHO CN1CCC[C@@H](C[N@@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000274790023 426838414 /nfs/dbraw/zinc/83/84/14/426838414.db2.gz NRMGJRXSAGHVKP-MLGOLLRUSA-N 1 3 314.832 2.786 20 0 DFADHO CCCc1cccc(CNCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000274849218 426850763 /nfs/dbraw/zinc/85/07/63/426850763.db2.gz XUFZVDIKIVZBIZ-UHFFFAOYSA-N 1 3 304.478 2.964 20 0 DFADHO CSc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282207079 426853081 /nfs/dbraw/zinc/85/30/81/426853081.db2.gz DCUJUXCAANVCMJ-UHFFFAOYSA-N 1 3 307.507 2.524 20 0 DFADHO Cc1cc(NCCN2CCC([NH+](C)C)CC2)c2ccccc2n1 ZINC000267251098 426854982 /nfs/dbraw/zinc/85/49/82/426854982.db2.gz ZKOFGPXFBJDIHM-UHFFFAOYSA-N 1 3 312.461 2.981 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000247237261 426918709 /nfs/dbraw/zinc/91/87/09/426918709.db2.gz YTJKOPXHIRFGGH-ZACQAIPSSA-N 1 3 311.514 2.591 20 0 DFADHO CCN1CC[C@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282276548 426869704 /nfs/dbraw/zinc/86/97/04/426869704.db2.gz PCZGNRHNXLQAOX-CYBMUJFWSA-N 1 3 304.463 2.580 20 0 DFADHO C[C@@H]1C[C@@H](NCc2ccc(OCCC[NH+](C)C)cc2)[C@@H](C)O1 ZINC000295243584 426875187 /nfs/dbraw/zinc/87/51/87/426875187.db2.gz SXNOBZJZDISRQT-IIDMSEBBSA-N 1 3 306.450 2.673 20 0 DFADHO C[C@H]1CN(CCN(C)Cc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000295259782 426879825 /nfs/dbraw/zinc/87/98/25/426879825.db2.gz XXRIULPZPLSGEU-SFHVURJKSA-N 1 3 315.505 2.925 20 0 DFADHO C[C@H]1CN(CCN(C)Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000295259782 426879832 /nfs/dbraw/zinc/87/98/32/426879832.db2.gz XXRIULPZPLSGEU-SFHVURJKSA-N 1 3 315.505 2.925 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1cccc(OCCN(C)C)c1 ZINC000305157197 426890089 /nfs/dbraw/zinc/89/00/89/426890089.db2.gz QKEIUKJOZGWAOS-XYJFISCASA-N 1 3 320.477 2.829 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247112553 426903491 /nfs/dbraw/zinc/90/34/91/426903491.db2.gz TYOPSGNJAWNZRL-KONPQCLYSA-N 1 3 301.478 2.756 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247112553 426903495 /nfs/dbraw/zinc/90/34/95/426903495.db2.gz TYOPSGNJAWNZRL-KONPQCLYSA-N 1 3 301.478 2.756 20 0 DFADHO Cc1cnc(CNCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000295419022 426951413 /nfs/dbraw/zinc/95/14/13/426951413.db2.gz NSUIJROKQNETEO-UHFFFAOYSA-N 1 3 302.447 2.853 20 0 DFADHO CCC[C@H](O)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295418326 426951623 /nfs/dbraw/zinc/95/16/23/426951623.db2.gz XXZKJIUYAPFNAY-RBUKOAKNSA-N 1 3 302.462 2.745 20 0 DFADHO CCC[C@H](O)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000295418326 426951631 /nfs/dbraw/zinc/95/16/31/426951631.db2.gz XXZKJIUYAPFNAY-RBUKOAKNSA-N 1 3 302.462 2.745 20 0 DFADHO CCC[C@H](O)CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295418322 426952126 /nfs/dbraw/zinc/95/21/26/426952126.db2.gz XXZKJIUYAPFNAY-OALUTQOASA-N 1 3 302.462 2.745 20 0 DFADHO CCC[C@H](O)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000295418322 426952132 /nfs/dbraw/zinc/95/21/32/426952132.db2.gz XXZKJIUYAPFNAY-OALUTQOASA-N 1 3 302.462 2.745 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000247967185 426971472 /nfs/dbraw/zinc/97/14/72/426971472.db2.gz IGRSHESXTVRDGE-WBAXXEDZSA-N 1 3 307.457 2.748 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000247967185 426971480 /nfs/dbraw/zinc/97/14/80/426971480.db2.gz IGRSHESXTVRDGE-WBAXXEDZSA-N 1 3 307.457 2.748 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000247967185 426971487 /nfs/dbraw/zinc/97/14/87/426971487.db2.gz IGRSHESXTVRDGE-WBAXXEDZSA-N 1 3 307.457 2.748 20 0 DFADHO O=C(CC[C@H]1CCC[NH2+]1)NC[C@H](c1cccs1)N1CCCC1 ZINC000292011133 427056491 /nfs/dbraw/zinc/05/64/91/427056491.db2.gz DFYUVHARDQKVNP-HUUCEWRRSA-N 1 3 321.490 2.533 20 0 DFADHO C[C@H]1C[C@@H]1C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268372475 426997989 /nfs/dbraw/zinc/99/79/89/426997989.db2.gz SAHFYHMHOGTGRZ-DOTOQJQBSA-N 1 3 301.478 2.963 20 0 DFADHO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)[C@H]1CCCN(C2CCC2)C1 ZINC000248553647 427013418 /nfs/dbraw/zinc/01/34/18/427013418.db2.gz HMFHDOJPXZBETO-QTLCSOKXSA-N 1 3 314.473 2.887 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000248574106 427015824 /nfs/dbraw/zinc/01/58/24/427015824.db2.gz MXAVQSKWJKYEJR-OALUTQOASA-N 1 3 304.478 2.786 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000248574106 427015829 /nfs/dbraw/zinc/01/58/29/427015829.db2.gz MXAVQSKWJKYEJR-OALUTQOASA-N 1 3 304.478 2.786 20 0 DFADHO Cc1cncc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000248708824 427035464 /nfs/dbraw/zinc/03/54/64/427035464.db2.gz IMYKNRXMWCRKBQ-ZYSHUDEJSA-N 1 3 317.477 2.809 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000296074753 427066723 /nfs/dbraw/zinc/06/67/23/427066723.db2.gz WWPHYSCSCLFWQY-OHRKKDJYSA-N 1 3 304.434 2.980 20 0 DFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000338046836 427110703 /nfs/dbraw/zinc/11/07/03/427110703.db2.gz LNRWEJUEUQZZMR-ZKZVPCBQSA-N 1 3 323.525 2.730 20 0 DFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000338046836 427110709 /nfs/dbraw/zinc/11/07/09/427110709.db2.gz LNRWEJUEUQZZMR-ZKZVPCBQSA-N 1 3 323.525 2.730 20 0 DFADHO C[C@H]1CSCCN(CCC[N@@H+]2CCSC[C@H](C)C2)C1 ZINC000190454094 427112886 /nfs/dbraw/zinc/11/28/86/427112886.db2.gz SMEHGVYHOVCUQH-HUUCEWRRSA-N 1 3 302.553 2.746 20 0 DFADHO C[C@H]1CSCCN(CCC[N@H+]2CCSC[C@H](C)C2)C1 ZINC000190454094 427112890 /nfs/dbraw/zinc/11/28/90/427112890.db2.gz SMEHGVYHOVCUQH-HUUCEWRRSA-N 1 3 302.553 2.746 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(OCCN(C)C)cc1 ZINC000268809361 427126030 /nfs/dbraw/zinc/12/60/30/427126030.db2.gz NLOIJTUXTCILTE-MAUKXSAKSA-N 1 3 306.450 2.847 20 0 DFADHO CO[C@@H](C)[C@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000268830260 427131316 /nfs/dbraw/zinc/13/13/16/427131316.db2.gz WCWYWGDNICSJBD-ROUUACIJSA-N 1 3 319.493 2.602 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000268876762 427137709 /nfs/dbraw/zinc/13/77/09/427137709.db2.gz IYVWDGMMYJXDNR-LFGUQSLTSA-N 1 3 315.505 2.969 20 0 DFADHO CC[C@H](N)C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000269268208 427154857 /nfs/dbraw/zinc/15/48/57/427154857.db2.gz QLUHTUXOQHUNTH-HOCLYGCPSA-N 1 3 305.466 2.750 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166413599 271096379 /nfs/dbraw/zinc/09/63/79/271096379.db2.gz DFNIGLRKBYKJMV-GOSISDBHSA-N 1 3 317.477 2.662 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N(C)CCN2CCCC2)cc1 ZINC000338169893 427169000 /nfs/dbraw/zinc/16/90/00/427169000.db2.gz FGFHZCNAOKZQFT-UHFFFAOYSA-N 1 3 317.477 2.696 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCc2c1c(F)ccc2F ZINC000269883833 271288031 /nfs/dbraw/zinc/28/80/31/271288031.db2.gz BEKZNYRYECDVOC-LRDDRELGSA-N 1 3 312.404 2.899 20 0 DFADHO COc1ncc([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1Cl ZINC000284288138 427175771 /nfs/dbraw/zinc/17/57/71/427175771.db2.gz KCIULMSDAZVMAS-RYUDHWBXSA-N 1 3 309.841 2.879 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000293312399 427283896 /nfs/dbraw/zinc/28/38/96/427283896.db2.gz FFEIPRPPAOBLAJ-ZOBUZTSGSA-N 1 3 305.441 2.724 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000293312399 427283902 /nfs/dbraw/zinc/28/39/02/427283902.db2.gz FFEIPRPPAOBLAJ-ZOBUZTSGSA-N 1 3 305.441 2.724 20 0 DFADHO CC1=CC[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CC1 ZINC000285423662 427228180 /nfs/dbraw/zinc/22/81/80/427228180.db2.gz YHHVKGYZLBYCRP-RBUKOAKNSA-N 1 3 300.446 2.842 20 0 DFADHO CN(CCC(=O)Nc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285473898 427243478 /nfs/dbraw/zinc/24/34/78/427243478.db2.gz KTNQHGSTMXRQOU-YIONKMFJSA-N 1 3 319.424 2.711 20 0 DFADHO CN(CCC(=O)Nc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285473898 427243483 /nfs/dbraw/zinc/24/34/83/427243483.db2.gz KTNQHGSTMXRQOU-YIONKMFJSA-N 1 3 319.424 2.711 20 0 DFADHO c1cc(CNCCCCC[NH+]2CCCC2)c2c(c1)OCCO2 ZINC000293196571 427243881 /nfs/dbraw/zinc/24/38/81/427243881.db2.gz XLAOYFMGPNEHLP-UHFFFAOYSA-N 1 3 304.434 2.814 20 0 DFADHO Cc1ccc2c(c1)CN(CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000337354000 271502947 /nfs/dbraw/zinc/50/29/47/271502947.db2.gz ARTQWLZRBJIYHP-UHFFFAOYSA-N 1 3 301.478 2.727 20 0 DFADHO CCCc1cc(NC[C@@H]2CN(C)CCN2C)c2ccccc2[nH+]1 ZINC000269719491 427260990 /nfs/dbraw/zinc/26/09/90/427260990.db2.gz BKYPSCIIYVYDRV-MRXNPFEDSA-N 1 3 312.461 2.845 20 0 DFADHO C[C@H]1C[N@H+](CCCNCc2cccc3cc[nH]c32)CCCO1 ZINC000277646326 427271504 /nfs/dbraw/zinc/27/15/04/427271504.db2.gz DGSJYUWZZQHFRH-HNNXBMFYSA-N 1 3 301.434 2.758 20 0 DFADHO C[C@H]1C[N@@H+](CCCNCc2cccc3cc[nH]c32)CCCO1 ZINC000277646326 427271512 /nfs/dbraw/zinc/27/15/12/427271512.db2.gz DGSJYUWZZQHFRH-HNNXBMFYSA-N 1 3 301.434 2.758 20 0 DFADHO C[C@H]1CCC[C@@](CNC(=O)c2ccc3c(c2)CNC3)([NH+](C)C)C1 ZINC000261854634 427342827 /nfs/dbraw/zinc/34/28/27/427342827.db2.gz JVMJPUKWOHRHRV-IFXJQAMLSA-N 1 3 315.461 2.530 20 0 DFADHO [NH3+][C@H]1C[C@@H](NCCc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000261943348 427346023 /nfs/dbraw/zinc/34/60/23/427346023.db2.gz VAENXLXRXLUVFG-DLBZAZTESA-N 1 3 310.397 2.735 20 0 DFADHO Fc1ccc(CN(C[C@@H]2CCC[NH2+]C2)C2CCOCC2)cc1 ZINC000262018851 427346373 /nfs/dbraw/zinc/34/63/73/427346373.db2.gz VXBZSXHXFYUIEU-MRXNPFEDSA-N 1 3 306.425 2.806 20 0 DFADHO Fc1ccc(C[N@H+](C[C@@H]2CCCNC2)C2CCOCC2)cc1 ZINC000262018851 427346377 /nfs/dbraw/zinc/34/63/77/427346377.db2.gz VXBZSXHXFYUIEU-MRXNPFEDSA-N 1 3 306.425 2.806 20 0 DFADHO Fc1ccc(C[N@@H+](C[C@@H]2CCCNC2)C2CCOCC2)cc1 ZINC000262018851 427346379 /nfs/dbraw/zinc/34/63/79/427346379.db2.gz VXBZSXHXFYUIEU-MRXNPFEDSA-N 1 3 306.425 2.806 20 0 DFADHO CC[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)N(C)C ZINC000338966052 271628235 /nfs/dbraw/zinc/62/82/35/271628235.db2.gz KXNNSFYPALSPFW-CRAIPNDOSA-N 1 3 317.477 2.668 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1cc(C(F)(F)F)ccn1 ZINC000293626492 427384183 /nfs/dbraw/zinc/38/41/83/427384183.db2.gz GEKVDGLHCHSTAK-XUJVJEKNSA-N 1 3 315.383 2.961 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1cc(C(F)(F)F)ccn1 ZINC000293626492 427384192 /nfs/dbraw/zinc/38/41/92/427384192.db2.gz GEKVDGLHCHSTAK-XUJVJEKNSA-N 1 3 315.383 2.961 20 0 DFADHO CC[C@H](c1ccncc1)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000191600888 427384375 /nfs/dbraw/zinc/38/43/75/427384375.db2.gz QEZCWENCEHHHMS-LJQANCHMSA-N 1 3 318.509 2.881 20 0 DFADHO CC[C@H](c1ccncc1)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000191600888 427384379 /nfs/dbraw/zinc/38/43/79/427384379.db2.gz QEZCWENCEHHHMS-LJQANCHMSA-N 1 3 318.509 2.881 20 0 DFADHO CC[C@H](C)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286071983 427417477 /nfs/dbraw/zinc/41/74/77/427417477.db2.gz RWQLPYXZMXSECG-HKUYNNGSSA-N 1 3 301.478 2.677 20 0 DFADHO CC[C@H](C)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286071983 427417488 /nfs/dbraw/zinc/41/74/88/427417488.db2.gz RWQLPYXZMXSECG-HKUYNNGSSA-N 1 3 301.478 2.677 20 0 DFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN(C)C(C)C ZINC000183913323 427355741 /nfs/dbraw/zinc/35/57/41/427355741.db2.gz TYJZKSQRSLIXLI-SFHVURJKSA-N 1 3 319.493 2.599 20 0 DFADHO CC[NH+](CC)CCCN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000191504515 427363677 /nfs/dbraw/zinc/36/36/77/427363677.db2.gz RMLHFABWVPGYLL-KRWDZBQOSA-N 1 3 304.482 2.856 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000285903149 427366803 /nfs/dbraw/zinc/36/68/03/427366803.db2.gz BKIPTAKWOGOBON-KFKAGJAMSA-N 1 3 320.452 2.871 20 0 DFADHO CCC[C@@](C)(N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000263249207 427447966 /nfs/dbraw/zinc/44/79/66/427447966.db2.gz IYFGVPWAQHLGBO-GOSISDBHSA-N 1 3 303.450 2.781 20 0 DFADHO CC(C)[NH+]1CCC(N[C@H]2CCN(c3ccccc3F)C2)CC1 ZINC000293823657 427450914 /nfs/dbraw/zinc/45/09/14/427450914.db2.gz WDGFHKRMGOQROO-INIZCTEOSA-N 1 3 305.441 2.867 20 0 DFADHO C[C@@H](C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@@H](N)c1ccccc1 ZINC000263280027 427452167 /nfs/dbraw/zinc/45/21/67/427452167.db2.gz RPOAMUVPMFDQKO-KYHPRHEASA-N 1 3 317.477 2.559 20 0 DFADHO C[C@@H](C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@@H](N)c1ccccc1 ZINC000263280027 427452176 /nfs/dbraw/zinc/45/21/76/427452176.db2.gz RPOAMUVPMFDQKO-KYHPRHEASA-N 1 3 317.477 2.559 20 0 DFADHO C[N@H+](CCCNC(=O)C1CCN(C2CC2)CC1)C1CCCCC1 ZINC000338771049 427477978 /nfs/dbraw/zinc/47/79/78/427477978.db2.gz NGLLQWWLOYCTOD-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@@H+](CCCNC(=O)C1CCN(C2CC2)CC1)C1CCCCC1 ZINC000338771049 427477986 /nfs/dbraw/zinc/47/79/86/427477986.db2.gz NGLLQWWLOYCTOD-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO CC[C@@H](C)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286071985 427419930 /nfs/dbraw/zinc/41/99/30/427419930.db2.gz RWQLPYXZMXSECG-IEBWSBKVSA-N 1 3 301.478 2.677 20 0 DFADHO CC[C@@H](C)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286071985 427419935 /nfs/dbraw/zinc/41/99/35/427419935.db2.gz RWQLPYXZMXSECG-IEBWSBKVSA-N 1 3 301.478 2.677 20 0 DFADHO c1ccc(COCC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000297659123 427422265 /nfs/dbraw/zinc/42/22/65/427422265.db2.gz NSOGHZFOQKXTCH-UHFFFAOYSA-N 1 3 311.429 2.857 20 0 DFADHO C[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])N(C)Cc1ccccc1 ZINC000263185993 427433098 /nfs/dbraw/zinc/43/30/98/427433098.db2.gz HHHSNKFXVUFTEJ-AYBZRNKSSA-N 1 3 317.477 2.531 20 0 DFADHO C[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000286150678 427438822 /nfs/dbraw/zinc/43/88/22/427438822.db2.gz PJPBJRBHFDTRAX-DSLXNQLJSA-N 1 3 302.462 2.648 20 0 DFADHO CC[N@H+]1C[C@H](N[C@H](CN(C)C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000338795204 427494877 /nfs/dbraw/zinc/49/48/77/427494877.db2.gz RAQAJNARKJARSN-RRQGHBQHSA-N 1 3 309.885 2.873 20 0 DFADHO CC[N@@H+]1C[C@H](N[C@H](CN(C)C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000338795204 427494882 /nfs/dbraw/zinc/49/48/82/427494882.db2.gz RAQAJNARKJARSN-RRQGHBQHSA-N 1 3 309.885 2.873 20 0 DFADHO CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000293956454 427501664 /nfs/dbraw/zinc/50/16/64/427501664.db2.gz ZQTRZRFYQBUZLA-MSOLQXFVSA-N 1 3 302.462 2.708 20 0 DFADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCc3c(cccc3OC)C2)C1 ZINC000192440012 427539763 /nfs/dbraw/zinc/53/97/63/427539763.db2.gz GWEUDVCNGZBADT-DOTOQJQBSA-N 1 3 302.462 2.874 20 0 DFADHO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1)CN(C)C ZINC000294073421 427540697 /nfs/dbraw/zinc/54/06/97/427540697.db2.gz HYBWQNCHVLUDSR-HUUCEWRRSA-N 1 3 319.449 2.882 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000271456834 427544097 /nfs/dbraw/zinc/54/40/97/427544097.db2.gz GWCOQPRFNKDVLN-CQDKDKBSSA-N 1 3 314.832 2.832 20 0 DFADHO c1ccc(CN2CCC[C@@H]3C[N@@H+]([C@H]4CCOC4)CC[C@@H]32)cc1 ZINC000271456376 427545224 /nfs/dbraw/zinc/54/52/24/427545224.db2.gz VXPDXTPHRFXALH-QYZOEREBSA-N 1 3 300.446 2.762 20 0 DFADHO c1ccc(CN2CCC[C@@H]3C[N@H+]([C@H]4CCOC4)CC[C@@H]32)cc1 ZINC000271456376 427545229 /nfs/dbraw/zinc/54/52/29/427545229.db2.gz VXPDXTPHRFXALH-QYZOEREBSA-N 1 3 300.446 2.762 20 0 DFADHO Cc1nccn1CCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294311057 427619651 /nfs/dbraw/zinc/61/96/51/427619651.db2.gz VVWZYJTZESNZBX-UHFFFAOYSA-N 1 3 313.449 2.625 20 0 DFADHO COc1ccccc1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298481882 427622789 /nfs/dbraw/zinc/62/27/89/427622789.db2.gz PMXIOPNRVWTZEM-UHFFFAOYSA-N 1 3 311.429 2.891 20 0 DFADHO CC[C@@H]1CCCCN1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298299894 427565098 /nfs/dbraw/zinc/56/50/98/427565098.db2.gz HNOARQPMWYHVTK-GOSISDBHSA-N 1 3 316.493 2.905 20 0 DFADHO CC(C)Oc1ccc([C@H](O)CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000298366322 427586164 /nfs/dbraw/zinc/58/61/64/427586164.db2.gz KIEGVEMGRSDUJJ-LJQANCHMSA-N 1 3 318.461 2.724 20 0 DFADHO Cc1cc(C)n(CCC[NH2+]C2CCN(c3ccncc3)CC2)n1 ZINC000294278817 427607712 /nfs/dbraw/zinc/60/77/12/427607712.db2.gz SODQFBIFEGGILB-UHFFFAOYSA-N 1 3 313.449 2.544 20 0 DFADHO CN(C)C[C@H](NC(=O)CC1(C[NH3+])CCCCC1)c1ccccc1 ZINC000185352365 427640657 /nfs/dbraw/zinc/64/06/57/427640657.db2.gz QJAIVVVCPCZGNM-KRWDZBQOSA-N 1 3 317.477 2.705 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000287566179 427641393 /nfs/dbraw/zinc/64/13/93/427641393.db2.gz BLMBBTRRWCEOAC-JLSDUUJJSA-N 1 3 324.896 2.906 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000287566179 427641399 /nfs/dbraw/zinc/64/13/99/427641399.db2.gz BLMBBTRRWCEOAC-JLSDUUJJSA-N 1 3 324.896 2.906 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287583823 427648368 /nfs/dbraw/zinc/64/83/68/427648368.db2.gz CIVPLJVWLVJFDW-MSOLQXFVSA-N 1 3 303.450 2.547 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287583823 427648375 /nfs/dbraw/zinc/64/83/75/427648375.db2.gz CIVPLJVWLVJFDW-MSOLQXFVSA-N 1 3 303.450 2.547 20 0 DFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000185416096 427648900 /nfs/dbraw/zinc/64/89/00/427648900.db2.gz JRYUNCMKNIEQPZ-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@H](CCc1cccn1C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298568093 427652755 /nfs/dbraw/zinc/65/27/55/427652755.db2.gz WTPHRAFOFBGWHN-INIZCTEOSA-N 1 3 312.461 3.000 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000287632443 427657410 /nfs/dbraw/zinc/65/74/10/427657410.db2.gz UGPQEFMAAILBCX-BQFCYCMXSA-N 1 3 320.477 2.950 20 0 DFADHO CCCN1CCC([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000279406110 427665156 /nfs/dbraw/zinc/66/51/56/427665156.db2.gz DJAGEZWRQGTBMM-INIZCTEOSA-N 1 3 314.832 2.977 20 0 DFADHO OC1CC[NH+](CCCN[C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343109692 272088368 /nfs/dbraw/zinc/08/83/68/272088368.db2.gz QEOROELTEGBRDF-QGZVFWFLSA-N 1 3 308.853 2.764 20 0 DFADHO Cc1ccc(CCC[NH+]2CCC(N(C)C[C@@H](C)O)CC2)cc1 ZINC000343548395 272168071 /nfs/dbraw/zinc/16/80/71/272168071.db2.gz IOIMSKNKEKNWIS-QGZVFWFLSA-N 1 3 304.478 2.705 20 0 DFADHO CCc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000343693494 272202933 /nfs/dbraw/zinc/20/29/33/272202933.db2.gz BWXHOWMOLKJKJL-QGZVFWFLSA-N 1 3 315.505 2.849 20 0 DFADHO C[N@H+](C[C@H](O)C(C)(C)C)CC1CCN(c2ccncc2)CC1 ZINC000343723944 272208530 /nfs/dbraw/zinc/20/85/30/272208530.db2.gz YAZPTEMXKLAYGY-KRWDZBQOSA-N 1 3 305.466 2.637 20 0 DFADHO C[N@@H+](C[C@H](O)C(C)(C)C)CC1CCN(c2ccncc2)CC1 ZINC000343723944 272208532 /nfs/dbraw/zinc/20/85/32/272208532.db2.gz YAZPTEMXKLAYGY-KRWDZBQOSA-N 1 3 305.466 2.637 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@H](C)OC)CC1 ZINC000343984401 272247353 /nfs/dbraw/zinc/24/73/53/272247353.db2.gz ZVUBDEIQTCVICW-KRWDZBQOSA-N 1 3 319.493 2.733 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000344024352 272250691 /nfs/dbraw/zinc/25/06/91/272250691.db2.gz HZYAYNBBUBFDNR-GOSISDBHSA-N 1 3 317.521 2.607 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000344024352 272250692 /nfs/dbraw/zinc/25/06/92/272250692.db2.gz HZYAYNBBUBFDNR-GOSISDBHSA-N 1 3 317.521 2.607 20 0 DFADHO CC1(C)[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1O ZINC000193313613 427683854 /nfs/dbraw/zinc/68/38/54/427683854.db2.gz MCBIZNMAKSZKKG-TZOQOTQKSA-N 1 3 314.473 2.931 20 0 DFADHO CC1(C)[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1O ZINC000193313613 427683860 /nfs/dbraw/zinc/68/38/60/427683860.db2.gz MCBIZNMAKSZKKG-TZOQOTQKSA-N 1 3 314.473 2.931 20 0 DFADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000344796634 272370614 /nfs/dbraw/zinc/37/06/14/272370614.db2.gz UPARPFNIXPHMQC-QGZVFWFLSA-N 1 3 323.525 2.831 20 0 DFADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)N(CC)CC ZINC000345043490 272397478 /nfs/dbraw/zinc/39/74/78/272397478.db2.gz HUEGQEVAPXUSTM-XWTMOSNGSA-N 1 3 323.525 2.971 20 0 DFADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)N(CC)CC ZINC000345043490 272397480 /nfs/dbraw/zinc/39/74/80/272397480.db2.gz HUEGQEVAPXUSTM-XWTMOSNGSA-N 1 3 323.525 2.971 20 0 DFADHO C[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)N1CCCCCC1 ZINC000345044863 272397734 /nfs/dbraw/zinc/39/77/34/272397734.db2.gz RSOITAWBCKJKBJ-INIZCTEOSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)N1CCCCCC1 ZINC000345044863 272397737 /nfs/dbraw/zinc/39/77/37/272397737.db2.gz RSOITAWBCKJKBJ-INIZCTEOSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCC=CO3)CC2)C[C@@H](C)O1 ZINC000193809200 427714443 /nfs/dbraw/zinc/71/44/43/427714443.db2.gz OURSFYVGURDQDD-NUJGCVRESA-N 1 3 308.466 2.500 20 0 DFADHO CC[NH+]1CCN(c2ccccc2CN[C@H]2CCC[C@@H]2F)CC1 ZINC000339588469 427797451 /nfs/dbraw/zinc/79/74/51/427797451.db2.gz YYCGINFYBNPBHX-IRXDYDNUSA-N 1 3 305.441 2.809 20 0 DFADHO CC[NH+]1CCN(c2ccccc2CN[C@@H]2CCC[C@@H]2F)CC1 ZINC000339588467 427797515 /nfs/dbraw/zinc/79/75/15/427797515.db2.gz YYCGINFYBNPBHX-DLBZAZTESA-N 1 3 305.441 2.809 20 0 DFADHO CCSc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000339685720 427811096 /nfs/dbraw/zinc/81/10/96/427811096.db2.gz GGZJVCUPCCRCSJ-HOCLYGCPSA-N 1 3 308.491 2.906 20 0 DFADHO CN(CCC[NH+]1CCCC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000337281889 427831307 /nfs/dbraw/zinc/83/13/07/427831307.db2.gz WUIFLWIAJNUAQC-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO CC(C)OC[C@@H](C)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000337325029 427847074 /nfs/dbraw/zinc/84/70/74/427847074.db2.gz BQRCQGFCGWACOQ-MJGOQNOKSA-N 1 3 304.478 2.954 20 0 DFADHO CC(C)OC[C@@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000337325029 427847077 /nfs/dbraw/zinc/84/70/77/427847077.db2.gz BQRCQGFCGWACOQ-MJGOQNOKSA-N 1 3 304.478 2.954 20 0 DFADHO Cc1c[nH+]ccc1NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000359440805 427852777 /nfs/dbraw/zinc/85/27/77/427852777.db2.gz SDSQQDXSLQZDLZ-HXUWFJFHSA-N 1 3 324.472 2.603 20 0 DFADHO CN(CCCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])Cc1ccccc1 ZINC000345693809 427862521 /nfs/dbraw/zinc/86/25/21/427862521.db2.gz OZNSGSGUKAXKRE-HKUYNNGSSA-N 1 3 317.477 2.532 20 0 DFADHO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CC1(O)CCN(C)CC1 ZINC000349823857 427874127 /nfs/dbraw/zinc/87/41/27/427874127.db2.gz WMVRURZKWGYPBI-QGZVFWFLSA-N 1 3 302.462 2.727 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+]CC2=CCN(C)CC2)cc1OC ZINC000337395217 427883998 /nfs/dbraw/zinc/88/39/98/427883998.db2.gz BNTFZVJPKYTMQB-HNNXBMFYSA-N 1 3 318.461 2.795 20 0 DFADHO CN(C)Cc1cccc(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000355774987 427886969 /nfs/dbraw/zinc/88/69/69/427886969.db2.gz QEBUXLQQAAORKG-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CC(C)[C@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)N1CCCCC1 ZINC000359519176 427887742 /nfs/dbraw/zinc/88/77/42/427887742.db2.gz RDSOECUCXBNBHO-QZTJIDSGSA-N 1 3 323.525 2.830 20 0 DFADHO CC(C)[C@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)N1CCCCC1 ZINC000359519176 427887745 /nfs/dbraw/zinc/88/77/45/427887745.db2.gz RDSOECUCXBNBHO-QZTJIDSGSA-N 1 3 323.525 2.830 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337409602 427892506 /nfs/dbraw/zinc/89/25/06/427892506.db2.gz WHJBSJKCTIYADP-JKSUJKDBSA-N 1 3 320.477 2.875 20 0 DFADHO CCN(CC)CC(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000337478000 427923900 /nfs/dbraw/zinc/92/39/00/427923900.db2.gz VASMJPHTZXFEKP-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO CCN(CC)CC(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000337478000 427923905 /nfs/dbraw/zinc/92/39/05/427923905.db2.gz VASMJPHTZXFEKP-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO CCC[C@@H](C)CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000337567136 427962016 /nfs/dbraw/zinc/96/20/16/427962016.db2.gz ALINYKFLXQPRMK-SJORKVTESA-N 1 3 311.514 2.687 20 0 DFADHO CCC[C@@H](C)CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000337567136 427962020 /nfs/dbraw/zinc/96/20/20/427962020.db2.gz ALINYKFLXQPRMK-SJORKVTESA-N 1 3 311.514 2.687 20 0 DFADHO CCN(CC)CC(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000337581387 427969574 /nfs/dbraw/zinc/96/95/74/427969574.db2.gz BMXCTVMPUVNVCX-SFHVURJKSA-N 1 3 319.493 2.601 20 0 DFADHO C[NH+](C)CCOCCNCc1ccc(-c2cccc(F)c2F)o1 ZINC000359685138 427973368 /nfs/dbraw/zinc/97/33/68/427973368.db2.gz ZDTYSYVRZXUVMN-UHFFFAOYSA-N 1 3 324.371 2.893 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000340914154 427950005 /nfs/dbraw/zinc/95/00/05/427950005.db2.gz LVBQHLAJPDFFTL-CVEARBPZSA-N 1 3 317.481 2.667 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000340914154 427950009 /nfs/dbraw/zinc/95/00/09/427950009.db2.gz LVBQHLAJPDFFTL-CVEARBPZSA-N 1 3 317.481 2.667 20 0 DFADHO CC(C)[C@H]1C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000346127541 428028216 /nfs/dbraw/zinc/02/82/16/428028216.db2.gz IFXQXEAYEJORHU-XMTFNYHQSA-N 1 3 312.498 2.669 20 0 DFADHO COc1cc2nccc(N(C)CC[N@H+](C)C3CC3)c2cc1OC ZINC000413237130 427998165 /nfs/dbraw/zinc/99/81/65/427998165.db2.gz TYFLUAKHUJSDGC-UHFFFAOYSA-N 1 3 315.417 2.782 20 0 DFADHO COc1cc2nccc(N(C)CC[N@@H+](C)C3CC3)c2cc1OC ZINC000413237130 427998172 /nfs/dbraw/zinc/99/81/72/427998172.db2.gz TYFLUAKHUJSDGC-UHFFFAOYSA-N 1 3 315.417 2.782 20 0 DFADHO CCC[C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)N(C)C ZINC000376803171 428001488 /nfs/dbraw/zinc/00/14/88/428001488.db2.gz DYFQPFWDTZETNL-GOSISDBHSA-N 1 3 323.525 2.878 20 0 DFADHO COc1cc2nccc(NCC3([NH+](C)C)CCC3)c2cc1OC ZINC000413252444 428002244 /nfs/dbraw/zinc/00/22/44/428002244.db2.gz WSHPQNXVAXOLBK-UHFFFAOYSA-N 1 3 315.417 2.570 20 0 DFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N(CC)CC ZINC000359788167 428018981 /nfs/dbraw/zinc/01/89/81/428018981.db2.gz DNZKUGUNDDWFKO-IAGOWNOFSA-N 1 3 309.498 2.584 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000356206806 428068666 /nfs/dbraw/zinc/06/86/66/428068666.db2.gz BOZXGKMNRUEKGN-OAHLLOKOSA-N 1 3 311.514 2.732 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000369849759 428075383 /nfs/dbraw/zinc/07/53/83/428075383.db2.gz CZRUFKMMAWWMOC-FRYIKTPZSA-N 1 3 315.505 2.999 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000356248776 428088009 /nfs/dbraw/zinc/08/80/09/428088009.db2.gz FAVNGVCXEYYYKD-NJAFHUGGSA-N 1 3 319.493 2.961 20 0 DFADHO CN1CCCC[C@H]1CC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000377261248 428095285 /nfs/dbraw/zinc/09/52/85/428095285.db2.gz IAFOCSKEMCXVMM-HNNXBMFYSA-N 1 3 321.440 2.938 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000351859707 428114438 /nfs/dbraw/zinc/11/44/38/428114438.db2.gz GWVKFFCAFKDHCK-MAUKXSAKSA-N 1 3 311.429 2.830 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000351859706 428114620 /nfs/dbraw/zinc/11/46/20/428114620.db2.gz GWVKFFCAFKDHCK-CRAIPNDOSA-N 1 3 311.429 2.830 20 0 DFADHO O[C@H](CNC1CC(c2cc(F)cc(F)c2)C1)C[NH+]1CCCCC1 ZINC000377397470 428120015 /nfs/dbraw/zinc/12/00/15/428120015.db2.gz KVFAKWNZGCJECI-IUPXNIOVSA-N 1 3 324.415 2.647 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000360058618 428139669 /nfs/dbraw/zinc/13/96/69/428139669.db2.gz XWFSMHJNJVNDEX-QGZVFWFLSA-N 1 3 304.478 2.786 20 0 DFADHO c1cn(-c2ccc(C[NH2+]C3CC(N4CCCCC4)C3)cc2)cn1 ZINC000370133583 428142414 /nfs/dbraw/zinc/14/24/14/428142414.db2.gz SBPIMJZVTPNOLZ-UHFFFAOYSA-N 1 3 310.445 2.979 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCC[C@H]1C ZINC000346424611 428166692 /nfs/dbraw/zinc/16/66/92/428166692.db2.gz DLQHUPQAPSZNEY-FGTMMUONSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCC[C@H]1C ZINC000346424611 428166697 /nfs/dbraw/zinc/16/66/97/428166697.db2.gz DLQHUPQAPSZNEY-FGTMMUONSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@H]1C ZINC000414116831 428210525 /nfs/dbraw/zinc/21/05/25/428210525.db2.gz RMCWCIFIWJTVMH-SPYBWZPUSA-N 1 3 302.462 2.777 20 0 DFADHO CC[NH+]1CCC(N[C@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000352702515 428212522 /nfs/dbraw/zinc/21/25/22/428212522.db2.gz YGEPWBXIMRKJCR-IBGZPJMESA-N 1 3 315.461 2.554 20 0 DFADHO Cc1ccc(O)c(CNC[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000377758247 428218632 /nfs/dbraw/zinc/21/86/32/428218632.db2.gz BYOHNZNJLSIGQU-VQIMIIECSA-N 1 3 311.429 2.878 20 0 DFADHO Cc1ccc(O)c(CNC[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000377758247 428218635 /nfs/dbraw/zinc/21/86/35/428218635.db2.gz BYOHNZNJLSIGQU-VQIMIIECSA-N 1 3 311.429 2.878 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccncc1OCCN(C)C)[C@H]1CC1(C)C ZINC000414165583 428222814 /nfs/dbraw/zinc/22/28/14/428222814.db2.gz PXEKOQBPJNOMDG-HZPDHXFCSA-N 1 3 305.466 2.936 20 0 DFADHO COC[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414172294 428224540 /nfs/dbraw/zinc/22/45/40/428224540.db2.gz DSXYHHYSYSCNQB-CXAGYDPISA-N 1 3 312.404 2.974 20 0 DFADHO COC[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414172294 428224544 /nfs/dbraw/zinc/22/45/44/428224544.db2.gz DSXYHHYSYSCNQB-CXAGYDPISA-N 1 3 312.404 2.974 20 0 DFADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1nc2ccccc2n1C ZINC000414184813 428226488 /nfs/dbraw/zinc/22/64/88/428226488.db2.gz OJMRJWOCEYEBQC-CABCVRRESA-N 1 3 300.450 2.956 20 0 DFADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1nc2ccccc2n1C ZINC000414184813 428226495 /nfs/dbraw/zinc/22/64/95/428226495.db2.gz OJMRJWOCEYEBQC-CABCVRRESA-N 1 3 300.450 2.956 20 0 DFADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000377667711 428188332 /nfs/dbraw/zinc/18/83/32/428188332.db2.gz DOTHTAAMCWFKMA-KURKYZTESA-N 1 3 305.441 2.645 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1C[C@H]1C ZINC000414076701 428198502 /nfs/dbraw/zinc/19/85/02/428198502.db2.gz QIALKSYJXPOFAA-JTDSTZFVSA-N 1 3 301.478 2.568 20 0 DFADHO C[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414085503 428202813 /nfs/dbraw/zinc/20/28/13/428202813.db2.gz YPNCIUJHMDYESF-INIZCTEOSA-N 1 3 312.461 2.983 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)CCN1C ZINC000370654437 428264465 /nfs/dbraw/zinc/26/44/65/428264465.db2.gz SXDWUJSLRVHVMF-HOJAQTOUSA-N 1 3 315.505 2.971 20 0 DFADHO CCCN[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000346671482 428266892 /nfs/dbraw/zinc/26/68/92/428266892.db2.gz ITJRXEGBKDHLNK-MRXNPFEDSA-N 1 3 309.498 2.680 20 0 DFADHO CCOc1cc(CN2CCC(CC[NH2+]C)CC2)ccc1OC ZINC000346671612 428266927 /nfs/dbraw/zinc/26/69/27/428266927.db2.gz KDMYYXQUHLHKHJ-UHFFFAOYSA-N 1 3 306.450 2.915 20 0 DFADHO [NH3+]CC1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000346678284 428270913 /nfs/dbraw/zinc/27/09/13/428270913.db2.gz YJMJOPMIEUYGHF-UHFFFAOYSA-N 1 3 304.825 2.901 20 0 DFADHO Cc1cc(CN2CCC(OCCC[NH3+])CC2)cc2cccnc12 ZINC000346685899 428273129 /nfs/dbraw/zinc/27/31/29/428273129.db2.gz QTEFXFKEIYEINL-UHFFFAOYSA-N 1 3 313.445 2.873 20 0 DFADHO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000370688279 428275489 /nfs/dbraw/zinc/27/54/89/428275489.db2.gz FYCQFESFTCJVSN-NVXWUHKLSA-N 1 3 319.468 2.515 20 0 DFADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(OCc2ccncc2)cc1 ZINC000346693419 428277300 /nfs/dbraw/zinc/27/73/00/428277300.db2.gz NAPZSTKZYMMDDC-MAUKXSAKSA-N 1 3 311.429 2.830 20 0 DFADHO Cc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1 ZINC000370706675 428279651 /nfs/dbraw/zinc/27/96/51/428279651.db2.gz CCVVOHMTZNQXGA-UYAOXDASSA-N 1 3 315.505 2.761 20 0 DFADHO Cc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)s1 ZINC000370712007 428280978 /nfs/dbraw/zinc/28/09/78/428280978.db2.gz YZOYOZMFUZQYTP-YOEHRIQHSA-N 1 3 307.507 2.514 20 0 DFADHO Cc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)s1 ZINC000370712006 428281365 /nfs/dbraw/zinc/28/13/65/428281365.db2.gz YZOYOZMFUZQYTP-WMLDXEAASA-N 1 3 307.507 2.514 20 0 DFADHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1F ZINC000370708314 428281550 /nfs/dbraw/zinc/28/15/50/428281550.db2.gz PMHMXNCDONEFRL-LPHOPBHVSA-N 1 3 319.468 2.592 20 0 DFADHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1F ZINC000370708314 428281555 /nfs/dbraw/zinc/28/15/55/428281555.db2.gz PMHMXNCDONEFRL-LPHOPBHVSA-N 1 3 319.468 2.592 20 0 DFADHO c1ccc(C[N@H+]2CC[C@@H](N3CCN(CCC4CC4)CC3)C2)cc1 ZINC000352881494 428292606 /nfs/dbraw/zinc/29/26/06/428292606.db2.gz ZRTNRKDOFYEDJG-HXUWFJFHSA-N 1 3 313.489 2.679 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(CCC4CC4)CC3)C2)cc1 ZINC000352881494 428292611 /nfs/dbraw/zinc/29/26/11/428292611.db2.gz ZRTNRKDOFYEDJG-HXUWFJFHSA-N 1 3 313.489 2.679 20 0 DFADHO CCC[C@H](N)C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370765019 428293097 /nfs/dbraw/zinc/29/30/97/428293097.db2.gz AXIGDJQKXUMERZ-PREGVCBESA-N 1 3 309.498 2.615 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000356607744 428253552 /nfs/dbraw/zinc/25/35/52/428253552.db2.gz YEJXJUWBDXVYJM-RDJZCZTQSA-N 1 3 309.498 2.630 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000356607744 428253557 /nfs/dbraw/zinc/25/35/57/428253557.db2.gz YEJXJUWBDXVYJM-RDJZCZTQSA-N 1 3 309.498 2.630 20 0 DFADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)s1 ZINC000370625428 428257611 /nfs/dbraw/zinc/25/76/11/428257611.db2.gz XSNHHIRFSJMKDK-LSDHHAIUSA-N 1 3 307.507 2.876 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cccc(OCCN(C)C)c1 ZINC000414330853 428259639 /nfs/dbraw/zinc/25/96/39/428259639.db2.gz FGHZHPGCLBKDOG-XYJFISCASA-N 1 3 320.477 2.829 20 0 DFADHO C[C@@H](O)CCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352813493 428260919 /nfs/dbraw/zinc/26/09/19/428260919.db2.gz BTEZGRNWRXFXSJ-IEBWSBKVSA-N 1 3 302.462 2.745 20 0 DFADHO C[C@@H](O)CCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352813493 428260925 /nfs/dbraw/zinc/26/09/25/428260925.db2.gz BTEZGRNWRXFXSJ-IEBWSBKVSA-N 1 3 302.462 2.745 20 0 DFADHO NC1(C[NH2+]Cc2c(-c3ccccc3)nc3ccccn32)CCC1 ZINC000342114870 428306286 /nfs/dbraw/zinc/30/62/86/428306286.db2.gz XCRWPMORVMFIIZ-UHFFFAOYSA-N 1 3 306.413 2.972 20 0 DFADHO N[C@H](CC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000370860670 428310808 /nfs/dbraw/zinc/31/08/08/428310808.db2.gz JNDCWAYUXJEHPT-QZTJIDSGSA-N 1 3 315.461 2.553 20 0 DFADHO CCOc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346824912 428331864 /nfs/dbraw/zinc/33/18/64/428331864.db2.gz CZBINFMAGZLQIT-ARFHVFGLSA-N 1 3 304.434 2.653 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]12 ZINC000346827544 428335308 /nfs/dbraw/zinc/33/53/08/428335308.db2.gz SOAKCJRQDCHAEZ-APHBMKBZSA-N 1 3 316.836 2.899 20 0 DFADHO CC(C)n1ncc2cc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cnc21 ZINC000346829892 428335332 /nfs/dbraw/zinc/33/53/32/428335332.db2.gz OJQYUUCAKDFRKU-XIRDDKMYSA-N 1 3 313.449 2.571 20 0 DFADHO CCN1CC[C@@H]([NH2+]CC(C)(C)CN(C)Cc2ccccc2)C1 ZINC000414548646 428335475 /nfs/dbraw/zinc/33/54/75/428335475.db2.gz YBHFXHOHGUQTFF-GOSISDBHSA-N 1 3 303.494 2.828 20 0 DFADHO CCN1CC[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000414548646 428335480 /nfs/dbraw/zinc/33/54/80/428335480.db2.gz YBHFXHOHGUQTFF-GOSISDBHSA-N 1 3 303.494 2.828 20 0 DFADHO CCN1CC[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000414548646 428335485 /nfs/dbraw/zinc/33/54/85/428335485.db2.gz YBHFXHOHGUQTFF-GOSISDBHSA-N 1 3 303.494 2.828 20 0 DFADHO c1ccc(C[N@H+](CC2CCOCC2)C[C@H]2CCCNC2)cc1 ZINC000346838895 428340527 /nfs/dbraw/zinc/34/05/27/428340527.db2.gz RXASOEPLMSJNGN-IBGZPJMESA-N 1 3 302.462 2.915 20 0 DFADHO c1ccc(C[N@@H+](CC2CCOCC2)C[C@H]2CCCNC2)cc1 ZINC000346838895 428340531 /nfs/dbraw/zinc/34/05/31/428340531.db2.gz RXASOEPLMSJNGN-IBGZPJMESA-N 1 3 302.462 2.915 20 0 DFADHO CC(C)[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000356872853 428342607 /nfs/dbraw/zinc/34/26/07/428342607.db2.gz PNAPAPPLOAJKHT-HCXYKTFWSA-N 1 3 302.462 2.504 20 0 DFADHO CCc1cccnc1[C@H](C)[NH2+]CCCCN1CCN(CC)CC1 ZINC000356882908 428348209 /nfs/dbraw/zinc/34/82/09/428348209.db2.gz VSHWXYRICWQOAF-KRWDZBQOSA-N 1 3 318.509 2.712 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(OCc2ccccn2)cc1 ZINC000414792571 428414548 /nfs/dbraw/zinc/41/45/48/428414548.db2.gz CJHRXBVRLDMIEV-LPHOPBHVSA-N 1 3 311.429 2.878 20 0 DFADHO C[C@@H](c1ccc(F)cc1)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000378436608 428395193 /nfs/dbraw/zinc/39/51/93/428395193.db2.gz QOKZQWSJEJTXHS-DLBZAZTESA-N 1 3 319.468 2.846 20 0 DFADHO Cc1cccc(-c2n[nH]cc2CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414771253 428397061 /nfs/dbraw/zinc/39/70/61/428397061.db2.gz QSFIOTGOXUQZOI-CALCHBBNSA-N 1 3 310.445 2.817 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414774638 428402266 /nfs/dbraw/zinc/40/22/66/428402266.db2.gz YQSVBOFNPBYFHH-CALCHBBNSA-N 1 3 310.445 2.612 20 0 DFADHO Clc1ccc2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2c1 ZINC000414780370 428403135 /nfs/dbraw/zinc/40/31/35/428403135.db2.gz LKLNUTKXLQLKGE-UONOGXRCSA-N 1 3 318.852 2.809 20 0 DFADHO c1cc(N2CCCC2)ncc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785723 428406320 /nfs/dbraw/zinc/40/63/20/428406320.db2.gz TUTJEAGZCHCDRS-MSOLQXFVSA-N 1 3 314.477 2.503 20 0 DFADHO CC(C)c1ccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414785202 428406668 /nfs/dbraw/zinc/40/66/68/428406668.db2.gz JIYFRJPXPBUOGN-SFHVURJKSA-N 1 3 302.462 2.997 20 0 DFADHO C[C@H](Cc1ccccc1)C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414785429 428407287 /nfs/dbraw/zinc/40/72/87/428407287.db2.gz SRCYOHSVIBSTEQ-AEFFLSMTSA-N 1 3 302.462 2.553 20 0 DFADHO C[C@H](Cc1ccccc1)C[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414785429 428407294 /nfs/dbraw/zinc/40/72/94/428407294.db2.gz SRCYOHSVIBSTEQ-AEFFLSMTSA-N 1 3 302.462 2.553 20 0 DFADHO CCOc1c(Cl)cc(CN[C@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000414789861 428409363 /nfs/dbraw/zinc/40/93/63/428409363.db2.gz FXKYUABOJBKFJS-JSGCOSHPSA-N 1 3 312.841 2.964 20 0 DFADHO c1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000414787195 428410090 /nfs/dbraw/zinc/41/00/90/428410090.db2.gz VIQBMQMDLXXSDA-HOTGVXAUSA-N 1 3 316.445 2.669 20 0 DFADHO CCCOc1cccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000414789826 428410755 /nfs/dbraw/zinc/41/07/55/428410755.db2.gz ORZRRDZIHFSOQR-MOPGFXCFSA-N 1 3 318.461 2.804 20 0 DFADHO CC(C)[C@H]([NH3+])CNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414795175 428412450 /nfs/dbraw/zinc/41/24/50/428412450.db2.gz MUATWNPSCUDFEP-MRXNPFEDSA-N 1 3 323.868 2.518 20 0 DFADHO CN(c1ccccc1CN[C@@H]1C[C@H]1C(F)F)C1CC[NH+](C)CC1 ZINC000342242724 428366105 /nfs/dbraw/zinc/36/61/05/428366105.db2.gz WKHBKFSVUMKAIF-HZPDHXFCSA-N 1 3 323.431 2.960 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000347026993 428413517 /nfs/dbraw/zinc/41/35/17/428413517.db2.gz QNYPSZGVNZKXSZ-KLHDSHLOSA-N 1 3 311.514 2.636 20 0 DFADHO C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414669063 428370372 /nfs/dbraw/zinc/37/03/72/428370372.db2.gz BEMTXNBNZNYQFL-KBPBESRZSA-N 1 3 323.868 2.530 20 0 DFADHO C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414669063 428370375 /nfs/dbraw/zinc/37/03/75/428370375.db2.gz BEMTXNBNZNYQFL-KBPBESRZSA-N 1 3 323.868 2.530 20 0 DFADHO Cc1cccc(NC(=O)CN(C)C[C@H]2CC[NH2+][C@H](C)C2)c1C ZINC000414677037 428372037 /nfs/dbraw/zinc/37/20/37/428372037.db2.gz ODPSSLKIAYICIM-ZBFHGGJFSA-N 1 3 303.450 2.562 20 0 DFADHO CCOc1ccccc1N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414681816 428372268 /nfs/dbraw/zinc/37/22/68/428372268.db2.gz WRSKUIHVSQLGMC-SJORKVTESA-N 1 3 317.477 2.595 20 0 DFADHO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414681376 428372661 /nfs/dbraw/zinc/37/26/61/428372661.db2.gz VYHURAVXBKYJGP-AEFFLSMTSA-N 1 3 317.477 2.657 20 0 DFADHO CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414681376 428372666 /nfs/dbraw/zinc/37/26/66/428372666.db2.gz VYHURAVXBKYJGP-AEFFLSMTSA-N 1 3 317.477 2.657 20 0 DFADHO COc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357050390 428373321 /nfs/dbraw/zinc/37/33/21/428373321.db2.gz MLDOATJBXCGVDJ-INIZCTEOSA-N 1 3 304.434 2.525 20 0 DFADHO Cc1cccc(NC(=O)CN(C)C[C@@H]2CC[NH2+][C@H](C)C2)c1C ZINC000414677031 428373788 /nfs/dbraw/zinc/37/37/88/428373788.db2.gz ODPSSLKIAYICIM-GDBMZVCRSA-N 1 3 303.450 2.562 20 0 DFADHO c1cc(N2CCCC2)ncc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357049406 428373862 /nfs/dbraw/zinc/37/38/62/428373862.db2.gz KYHOSGZVUWVGJF-SFHVURJKSA-N 1 3 314.477 2.503 20 0 DFADHO COc1cc(C)c(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357050324 428374097 /nfs/dbraw/zinc/37/40/97/428374097.db2.gz MEUPZNRFCSAQID-INIZCTEOSA-N 1 3 318.461 2.834 20 0 DFADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000371338104 428383601 /nfs/dbraw/zinc/38/36/01/428383601.db2.gz YOIURSVQTLQOSN-YWTNHNAXSA-N 1 3 307.526 2.959 20 0 DFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC3(C2)CCCCCC3)C1 ZINC000414712450 428383556 /nfs/dbraw/zinc/38/35/56/428383556.db2.gz UINWVHHMKDEZMP-QGZVFWFLSA-N 1 3 321.509 2.620 20 0 DFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCC3(C2)CCCCCC3)C1 ZINC000414712450 428383560 /nfs/dbraw/zinc/38/35/60/428383560.db2.gz UINWVHHMKDEZMP-QGZVFWFLSA-N 1 3 321.509 2.620 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@@H]2CCCNC2)cc1F ZINC000414860842 428435038 /nfs/dbraw/zinc/43/50/38/428435038.db2.gz VZSKIZJCXXDCHX-SQWLQELKSA-N 1 3 308.441 2.991 20 0 DFADHO C[C@H](C[NH3+])CNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414870201 428439404 /nfs/dbraw/zinc/43/94/04/428439404.db2.gz BNCFJFZYRAEIKR-LLVKDONJSA-N 1 3 312.339 2.576 20 0 DFADHO NC1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000414872926 428440596 /nfs/dbraw/zinc/44/05/96/428440596.db2.gz GOCAQGYTUPXATO-UHFFFAOYSA-N 1 3 307.869 2.775 20 0 DFADHO [NH3+]C1(CNC2CCN(Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000414872926 428440602 /nfs/dbraw/zinc/44/06/02/428440602.db2.gz GOCAQGYTUPXATO-UHFFFAOYSA-N 1 3 307.869 2.775 20 0 DFADHO c1cncc(C[NH2+]CCCNCc2ccc3ncccc3c2)c1 ZINC000414880657 428443796 /nfs/dbraw/zinc/44/37/96/428443796.db2.gz QVYJMOYNTSZZOE-UHFFFAOYSA-N 1 3 306.413 2.899 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000357225746 428444566 /nfs/dbraw/zinc/44/45/66/428444566.db2.gz BLKSBECMQJIWDK-MISYRCLQSA-N 1 3 315.505 2.828 20 0 DFADHO CSC[C@H](CCO)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357232343 428445897 /nfs/dbraw/zinc/44/58/97/428445897.db2.gz NTBKFALWPOROAK-NXHRZFHOSA-N 1 3 322.518 2.601 20 0 DFADHO CSC[C@H](CCO)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357232343 428445902 /nfs/dbraw/zinc/44/59/02/428445902.db2.gz NTBKFALWPOROAK-NXHRZFHOSA-N 1 3 322.518 2.601 20 0 DFADHO CCOc1cc(CNC[C@H](C)C[NH3+])ccc1OCC(F)(F)F ZINC000414886437 428446514 /nfs/dbraw/zinc/44/65/14/428446514.db2.gz YEPIGQVWQISJBB-LLVKDONJSA-N 1 3 320.355 2.711 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000360812225 428450661 /nfs/dbraw/zinc/45/06/61/428450661.db2.gz RERLIUKTXBFCGO-NKGKWGDASA-N 1 3 305.441 2.643 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000360812225 428450666 /nfs/dbraw/zinc/45/06/66/428450666.db2.gz RERLIUKTXBFCGO-NKGKWGDASA-N 1 3 305.441 2.643 20 0 DFADHO CC(C)c1ccc(NC(=O)C[C@H](C)NC[C@H]2CC[NH2+]C2)cc1 ZINC000414902849 428451870 /nfs/dbraw/zinc/45/18/70/428451870.db2.gz HTENBXDRVQCEDG-GJZGRUSLSA-N 1 3 303.450 2.726 20 0 DFADHO C[C@@H]1C[C@H](NC(=O)CCC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000379664607 428452142 /nfs/dbraw/zinc/45/21/42/428452142.db2.gz PTGUJFCJMHHHIA-NVXWUHKLSA-N 1 3 317.477 2.673 20 0 DFADHO C[NH2+]CC1CCN(Cc2cccc(OCCCOC)c2)CC1 ZINC000347116668 428454381 /nfs/dbraw/zinc/45/43/81/428454381.db2.gz WIRVOLPUHPHSKV-UHFFFAOYSA-N 1 3 306.450 2.533 20 0 DFADHO CC[C@H](Cn1cncn1)[NH2+][C@H]1CCCC[C@@H]1CN(CC)CC ZINC000353258823 428456393 /nfs/dbraw/zinc/45/63/93/428456393.db2.gz RSMGRLUSCROKFJ-ZACQAIPSSA-N 1 3 307.486 2.547 20 0 DFADHO CC[C@H](Cn1cncn1)N[C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000353258823 428456397 /nfs/dbraw/zinc/45/63/97/428456397.db2.gz RSMGRLUSCROKFJ-ZACQAIPSSA-N 1 3 307.486 2.547 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@@]2(C)CCC[NH2+]C2)c(C)c1 ZINC000414920514 428456623 /nfs/dbraw/zinc/45/66/23/428456623.db2.gz ZOKXWMXFSKIXNV-LPHOPBHVSA-N 1 3 317.477 3.000 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(C)CCCNC2)c(C)c1 ZINC000414920514 428456627 /nfs/dbraw/zinc/45/66/27/428456627.db2.gz ZOKXWMXFSKIXNV-LPHOPBHVSA-N 1 3 317.477 3.000 20 0 DFADHO COc1cc(C[NH2+][C@@H](C)CN)ccc1OCc1ccc(F)cc1 ZINC000414948063 428465992 /nfs/dbraw/zinc/46/59/92/428465992.db2.gz WPZXCZXRTUKGFP-ZDUSSCGKSA-N 1 3 318.392 2.850 20 0 DFADHO CCOc1cc(CN[C@H]2CCC[C@H]2C[NH3+])cc(Cl)c1OC ZINC000414801799 428415669 /nfs/dbraw/zinc/41/56/69/428415669.db2.gz UVKGALCMBWHYGJ-JSGCOSHPSA-N 1 3 312.841 2.964 20 0 DFADHO CC(C)n1ncc2cc(CN[C@H]3CCCC[C@@H]3C[NH3+])cnc21 ZINC000414809822 428418235 /nfs/dbraw/zinc/41/82/35/428418235.db2.gz UOFRIAYZJUIPKP-ZBFHGGJFSA-N 1 3 301.438 2.619 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])C2CC2)cc1Cl ZINC000414812199 428418368 /nfs/dbraw/zinc/41/83/68/428418368.db2.gz XCGNQIKUHWTRGU-XHDPSFHLSA-N 1 3 309.841 2.692 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H](C[NH3+])C1CC1 ZINC000414812034 428419643 /nfs/dbraw/zinc/41/96/43/428419643.db2.gz OYEPEBJHZVMIHE-XHDPSFHLSA-N 1 3 309.841 2.692 20 0 DFADHO COc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000414814173 428421115 /nfs/dbraw/zinc/42/11/15/428421115.db2.gz ZBKWFCXIZVTWKV-QWHCGFSZSA-N 1 3 314.376 2.904 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])C2CC2)c(Cl)c1 ZINC000414812634 428422621 /nfs/dbraw/zinc/42/26/21/428422621.db2.gz XQNNLAHNAJJTQM-NHYWBVRUSA-N 1 3 309.841 2.692 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000347049359 428424344 /nfs/dbraw/zinc/42/43/44/428424344.db2.gz WMJYZRVHBFEGPK-NVXWUHKLSA-N 1 3 319.493 2.881 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414825145 428425054 /nfs/dbraw/zinc/42/50/54/428425054.db2.gz SBCOLSFKDOFBSG-FMKPAKJESA-N 1 3 304.434 2.714 20 0 DFADHO C[C@@H](CC(=O)N1CCCCCC1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414830049 428427177 /nfs/dbraw/zinc/42/71/77/428427177.db2.gz AKGHXUFIBGXUAE-RDJZCZTQSA-N 1 3 309.498 2.665 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1(N)CCCCC1 ZINC000414837888 428431425 /nfs/dbraw/zinc/43/14/25/428431425.db2.gz HHNLLOBCATXBNO-FUHWJXTLSA-N 1 3 301.478 2.758 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NCC1([NH3+])CCCCC1 ZINC000414837888 428431429 /nfs/dbraw/zinc/43/14/29/428431429.db2.gz HHNLLOBCATXBNO-FUHWJXTLSA-N 1 3 301.478 2.758 20 0 DFADHO COc1ccc(CNCC[C@H]2CCC[NH2+]C2)c(Cl)c1OC ZINC000414846801 428431631 /nfs/dbraw/zinc/43/16/31/428431631.db2.gz HZVNDYDKAUFLMV-GFCCVEGCSA-N 1 3 312.841 2.837 20 0 DFADHO CC[NH+](CC)CCCC1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000360892055 428480690 /nfs/dbraw/zinc/48/06/90/428480690.db2.gz WOMRTEALGIKCAI-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO C[N@H+]1CC=C(CNCc2cc(F)cc(Br)c2)CC1 ZINC000392763131 428482239 /nfs/dbraw/zinc/48/22/39/428482239.db2.gz DEQYWSBWYFYSQZ-UHFFFAOYSA-N 1 3 313.214 2.940 20 0 DFADHO C[N@@H+]1CC=C(CNCc2cc(F)cc(Br)c2)CC1 ZINC000392763131 428482245 /nfs/dbraw/zinc/48/22/45/428482245.db2.gz DEQYWSBWYFYSQZ-UHFFFAOYSA-N 1 3 313.214 2.940 20 0 DFADHO CC[C@H]([NH3+])CN[C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414996250 428482728 /nfs/dbraw/zinc/48/27/28/428482728.db2.gz XGVKHYUUHJILPG-ONGXEEELSA-N 1 3 303.219 2.846 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](CNCc2cc(O)ccc2Br)C1 ZINC000414991753 428483487 /nfs/dbraw/zinc/48/34/87/428483487.db2.gz JPRBVRPLTCQQEK-CMPLNLGQSA-N 1 3 313.239 2.762 20 0 DFADHO Brc1ccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000415013707 428488226 /nfs/dbraw/zinc/48/82/26/428488226.db2.gz VIOCBBIWTRYOAP-NWDGAFQWSA-N 1 3 315.280 2.988 20 0 DFADHO CC(C)N1CCc2nc(CN[C@@H](C)CCCC[NH3+])sc2C1 ZINC000415006840 428489222 /nfs/dbraw/zinc/48/92/22/428489222.db2.gz AMYYZPZFMNVFLE-ZDUSSCGKSA-N 1 3 310.511 2.517 20 0 DFADHO CC(C)(CCC[NH3+])NCc1cc(O)ccc1Br ZINC000415021374 428491324 /nfs/dbraw/zinc/49/13/24/428491324.db2.gz YLDJYLJSCDCTGT-UHFFFAOYSA-N 1 3 301.228 2.762 20 0 DFADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CNCCCO1 ZINC000415030431 428492372 /nfs/dbraw/zinc/49/23/72/428492372.db2.gz CKFNMTPUIXVOGC-NWDGAFQWSA-N 1 3 302.871 2.691 20 0 DFADHO [NH3+]C[C@@H]1CC[C@@H](NCc2cc(F)ccc2Br)C1 ZINC000415037894 428495007 /nfs/dbraw/zinc/49/50/07/428495007.db2.gz MTRGKJUQEQTUGM-BXKDBHETSA-N 1 3 301.203 2.805 20 0 DFADHO c1cnn(-c2ccc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)c1 ZINC000415037625 428496235 /nfs/dbraw/zinc/49/62/35/428496235.db2.gz GWOYIIYFQSLYQP-IEBWSBKVSA-N 1 3 310.445 2.836 20 0 DFADHO C[C@H](CNC[C@@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000415047309 428498528 /nfs/dbraw/zinc/49/85/28/428498528.db2.gz WBFOIDMKKTUUNT-DOMZBBRYSA-N 1 3 316.367 2.777 20 0 DFADHO C[C@H](C[NH2+]C[C@@H]1CNCCCO1)c1ccc(C(F)(F)F)cc1 ZINC000415047309 428498535 /nfs/dbraw/zinc/49/85/35/428498535.db2.gz WBFOIDMKKTUUNT-DOMZBBRYSA-N 1 3 316.367 2.777 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)NCCC[NH2+]C1CC1 ZINC000415071316 428508961 /nfs/dbraw/zinc/50/89/61/428508961.db2.gz SMQXMLVTSVBUCZ-AWEZNQCLSA-N 1 3 303.450 2.698 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCNC1CC1 ZINC000415071316 428508964 /nfs/dbraw/zinc/50/89/64/428508964.db2.gz SMQXMLVTSVBUCZ-AWEZNQCLSA-N 1 3 303.450 2.698 20 0 DFADHO Fc1ccc(CCN2CCC([NH2+][C@H]3CCCCNC3)CC2)cc1 ZINC000415069887 428509000 /nfs/dbraw/zinc/50/90/00/428509000.db2.gz PKORZHJJUAJMFS-IBGZPJMESA-N 1 3 319.468 2.564 20 0 DFADHO Fc1ccc(CCN2CCC(N[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000415069887 428509005 /nfs/dbraw/zinc/50/90/05/428509005.db2.gz PKORZHJJUAJMFS-IBGZPJMESA-N 1 3 319.468 2.564 20 0 DFADHO CCN1CCCC[C@@H]1C[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000415082899 428512542 /nfs/dbraw/zinc/51/25/42/428512542.db2.gz PAQBRQUYNQYJLM-OTWHNJEPSA-N 1 3 301.478 2.944 20 0 DFADHO C[C@@H]1C[C@H](CNCc2cccnc2OCC(F)(F)F)CC[NH2+]1 ZINC000415081659 428512838 /nfs/dbraw/zinc/51/28/38/428512838.db2.gz KRGLULDSLBFUBF-VXGBXAGGSA-N 1 3 317.355 2.500 20 0 DFADHO CC(C)[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000415079422 428513711 /nfs/dbraw/zinc/51/37/11/428513711.db2.gz KCOZCWLHVDJNMQ-MAUKXSAKSA-N 1 3 304.434 2.887 20 0 DFADHO COc1cc(F)c([C@H](C)NC[C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000415093266 428517901 /nfs/dbraw/zinc/51/79/01/428517901.db2.gz UYZCGKCRIVATJZ-AGIUHOORSA-N 1 3 310.413 2.882 20 0 DFADHO CCOc1ccccc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415100478 428518781 /nfs/dbraw/zinc/51/87/81/428518781.db2.gz AKSUYLICRNFXEZ-IEBWSBKVSA-N 1 3 318.461 2.804 20 0 DFADHO Cc1ccc(F)c(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415114541 428524550 /nfs/dbraw/zinc/52/45/50/428524550.db2.gz VLJBFFMFAFGJLA-QZTJIDSGSA-N 1 3 306.425 2.852 20 0 DFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C/C=C/c2ccccc2)CC1 ZINC000415127475 428529406 /nfs/dbraw/zinc/52/94/06/428529406.db2.gz NGRIBSDABMVRMY-KDBJMCLYSA-N 1 3 300.446 2.918 20 0 DFADHO CCOc1ccccc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415121997 428530044 /nfs/dbraw/zinc/53/00/44/428530044.db2.gz JBGCYUSNIRUXAT-HKUYNNGSSA-N 1 3 318.461 2.804 20 0 DFADHO COc1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1C ZINC000415127254 428530097 /nfs/dbraw/zinc/53/00/97/428530097.db2.gz QQMNJLYCBQTTRX-HKUYNNGSSA-N 1 3 318.461 2.722 20 0 DFADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc(C(F)F)cc3)C2)nn1 ZINC000415126912 428530424 /nfs/dbraw/zinc/53/04/24/428530424.db2.gz MNMPWYIEHYHMDO-HNNXBMFYSA-N 1 3 321.375 2.512 20 0 DFADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc(C(F)F)cc3)C2)nn1 ZINC000415126912 428530430 /nfs/dbraw/zinc/53/04/30/428530430.db2.gz MNMPWYIEHYHMDO-HNNXBMFYSA-N 1 3 321.375 2.512 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390722032 428473622 /nfs/dbraw/zinc/47/36/22/428473622.db2.gz ZNCRZESJTLLCJC-BGVWBIDGSA-N 1 3 313.489 2.899 20 0 DFADHO CC[NH2+][C@H](C)CNC1CCN(Cc2ccccc2Cl)CC1 ZINC000414964969 428475004 /nfs/dbraw/zinc/47/50/04/428475004.db2.gz VDDVUTVFJIKBQE-CQSZACIVSA-N 1 3 309.885 2.892 20 0 DFADHO CCN[C@H](C)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414964969 428475012 /nfs/dbraw/zinc/47/50/12/428475012.db2.gz VDDVUTVFJIKBQE-CQSZACIVSA-N 1 3 309.885 2.892 20 0 DFADHO CN(C)CCOC1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000353545394 428587321 /nfs/dbraw/zinc/58/73/21/428587321.db2.gz DDQSNOUARKHTKK-MJGOQNOKSA-N 1 3 302.462 2.833 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353432880 428534150 /nfs/dbraw/zinc/53/41/50/428534150.db2.gz DAUUGWIXTHOOLE-ZRNYENFQSA-N 1 3 313.489 2.723 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353432880 428534152 /nfs/dbraw/zinc/53/41/52/428534152.db2.gz DAUUGWIXTHOOLE-ZRNYENFQSA-N 1 3 313.489 2.723 20 0 DFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353432880 428534153 /nfs/dbraw/zinc/53/41/53/428534153.db2.gz DAUUGWIXTHOOLE-ZRNYENFQSA-N 1 3 313.489 2.723 20 0 DFADHO Cc1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000415136693 428534805 /nfs/dbraw/zinc/53/48/05/428534805.db2.gz XOKDXIMLMLJIDM-RDJZCZTQSA-N 1 3 312.461 2.812 20 0 DFADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CN1 ZINC000399115715 428535825 /nfs/dbraw/zinc/53/58/25/428535825.db2.gz FWTQJHOOSFBEIN-FPAYPSAMSA-N 1 3 301.478 2.627 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@H](C)[NH3+] ZINC000399390333 428539619 /nfs/dbraw/zinc/53/96/19/428539619.db2.gz RZZSZPYBQUPREV-SZMVWBNQSA-N 1 3 317.477 2.559 20 0 DFADHO C[N@H+](C[C@H]1CCSC1)CC1CCN(c2ccncc2)CC1 ZINC000373330230 428549671 /nfs/dbraw/zinc/54/96/71/428549671.db2.gz CWOIZPOUZMKFRH-MRXNPFEDSA-N 1 3 305.491 2.983 20 0 DFADHO C[N@@H+](C[C@H]1CCSC1)CC1CCN(c2ccncc2)CC1 ZINC000373330230 428549676 /nfs/dbraw/zinc/54/96/76/428549676.db2.gz CWOIZPOUZMKFRH-MRXNPFEDSA-N 1 3 305.491 2.983 20 0 DFADHO C[N@@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)[C@H]2CCC[C@H]21 ZINC000353498747 428567517 /nfs/dbraw/zinc/56/75/17/428567517.db2.gz BLVMAXFSZVHFNQ-HSALFYBXSA-N 1 3 324.472 2.877 20 0 DFADHO C[N@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)[C@H]2CCC[C@H]21 ZINC000353498747 428567521 /nfs/dbraw/zinc/56/75/21/428567521.db2.gz BLVMAXFSZVHFNQ-HSALFYBXSA-N 1 3 324.472 2.877 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H]2CCN(CC3CCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353515264 428573247 /nfs/dbraw/zinc/57/32/47/428573247.db2.gz DGNLMMDKTKEXMB-XWSJACJDSA-N 1 3 305.510 2.713 20 0 DFADHO Cc1sccc1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000353520637 428574829 /nfs/dbraw/zinc/57/48/29/428574829.db2.gz OEAIKHCQRRBTDV-AWEZNQCLSA-N 1 3 307.507 2.657 20 0 DFADHO Cc1sccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000353520637 428574833 /nfs/dbraw/zinc/57/48/33/428574833.db2.gz OEAIKHCQRRBTDV-AWEZNQCLSA-N 1 3 307.507 2.657 20 0 DFADHO C[C@@H](CC1CCOCC1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000358044251 428576441 /nfs/dbraw/zinc/57/64/41/428576441.db2.gz IFNCRWCMNSROTA-YESZJQIVSA-N 1 3 312.498 2.671 20 0 DFADHO CC1CC[NH+](CCCCNC(=O)c2ccc3c(c2)CNC3)CC1 ZINC000347529957 428599493 /nfs/dbraw/zinc/59/94/93/428599493.db2.gz NPFKTXGJOBDQID-UHFFFAOYSA-N 1 3 315.461 2.532 20 0 DFADHO CCC1(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CCOCC1 ZINC000358482813 428603844 /nfs/dbraw/zinc/60/38/44/428603844.db2.gz LCTBYPGKPVOIHP-IAGOWNOFSA-N 1 3 312.498 2.672 20 0 DFADHO COc1ccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)c(C)c1OC ZINC000347581785 428610933 /nfs/dbraw/zinc/61/09/33/428610933.db2.gz HHHAEPLOFPVFJH-OAHLLOKOSA-N 1 3 306.450 2.786 20 0 DFADHO COc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c(C)c1OC ZINC000347581785 428610935 /nfs/dbraw/zinc/61/09/35/428610935.db2.gz HHHAEPLOFPVFJH-OAHLLOKOSA-N 1 3 306.450 2.786 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000344033737 428614356 /nfs/dbraw/zinc/61/43/56/428614356.db2.gz QCSFNPLJKIWKTK-SFHVURJKSA-N 1 3 307.457 2.628 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000344033737 428614360 /nfs/dbraw/zinc/61/43/60/428614360.db2.gz QCSFNPLJKIWKTK-SFHVURJKSA-N 1 3 307.457 2.628 20 0 DFADHO C[C@H](Cc1cnccn1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000358660468 428622505 /nfs/dbraw/zinc/62/25/05/428622505.db2.gz GKRHLJGYUFBWJJ-OAHLLOKOSA-N 1 3 302.466 2.794 20 0 DFADHO C[C@H](Cc1cnccn1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000358660468 428622508 /nfs/dbraw/zinc/62/25/08/428622508.db2.gz GKRHLJGYUFBWJJ-OAHLLOKOSA-N 1 3 302.466 2.794 20 0 DFADHO CNCc1ccccc1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000415928648 428628031 /nfs/dbraw/zinc/62/80/31/428628031.db2.gz YGSYJOPDNLAADB-UHFFFAOYSA-N 1 3 318.465 2.650 20 0 DFADHO CC[C@]1(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CC[NH2+]C1 ZINC000362158178 428643093 /nfs/dbraw/zinc/64/30/93/428643093.db2.gz CXAUARVAYOHDKA-BEFAXECRSA-N 1 3 317.477 2.622 20 0 DFADHO C[N@@H+]1CC[C@H](NCCNc2ccc3ccccc3n2)[C@H]2CCC[C@H]21 ZINC000353647231 428635679 /nfs/dbraw/zinc/63/56/79/428635679.db2.gz QZHVPNOTLKDBGF-NZSAHSFTSA-N 1 3 324.472 3.109 20 0 DFADHO C[N@H+]1CC[C@H](NCCNc2ccc3ccccc3n2)[C@H]2CCC[C@H]21 ZINC000353647231 428635684 /nfs/dbraw/zinc/63/56/84/428635684.db2.gz QZHVPNOTLKDBGF-NZSAHSFTSA-N 1 3 324.472 3.109 20 0 DFADHO CC[N@H+](CCC1CCN([C@H](C)C(=O)NC2CC2)CC1)CC(C)C ZINC000358746168 428652936 /nfs/dbraw/zinc/65/29/36/428652936.db2.gz QHDDQYCURAEMNW-MRXNPFEDSA-N 1 3 323.525 2.734 20 0 DFADHO CC[N@@H+](CCC1CCN([C@H](C)C(=O)NC2CC2)CC1)CC(C)C ZINC000358746168 428652944 /nfs/dbraw/zinc/65/29/44/428652944.db2.gz QHDDQYCURAEMNW-MRXNPFEDSA-N 1 3 323.525 2.734 20 0 DFADHO C[N@H+](CCO)C1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000344522540 428673075 /nfs/dbraw/zinc/67/30/75/428673075.db2.gz QYYVQZKYSKQJIG-UHFFFAOYSA-N 1 3 322.415 2.744 20 0 DFADHO C[N@@H+](CCO)C1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000344522540 428673078 /nfs/dbraw/zinc/67/30/78/428673078.db2.gz QYYVQZKYSKQJIG-UHFFFAOYSA-N 1 3 322.415 2.744 20 0 DFADHO Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000344749441 428700539 /nfs/dbraw/zinc/70/05/39/428700539.db2.gz NYEIFZUSBBXRNM-MSOLQXFVSA-N 1 3 302.462 2.677 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000358850327 428704273 /nfs/dbraw/zinc/70/42/73/428704273.db2.gz DUFVKNQRNXHLJF-KRWDZBQOSA-N 1 3 315.392 2.568 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CC4=CCCOC4)[C@H]3C2)cc1 ZINC000374605483 428710209 /nfs/dbraw/zinc/71/02/09/428710209.db2.gz PGAXWZXMADZFIO-SLFFLAALSA-N 1 3 312.457 2.833 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCC4=CCCOC4)[C@H]3C2)cc1 ZINC000374605483 428710214 /nfs/dbraw/zinc/71/02/14/428710214.db2.gz PGAXWZXMADZFIO-SLFFLAALSA-N 1 3 312.457 2.833 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCC4=CCCOC4)[C@H]3C2)cc1 ZINC000374605483 428710218 /nfs/dbraw/zinc/71/02/18/428710218.db2.gz PGAXWZXMADZFIO-SLFFLAALSA-N 1 3 312.457 2.833 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1=CCCCC1 ZINC000358869528 428713285 /nfs/dbraw/zinc/71/32/85/428713285.db2.gz FLELOKYJTZEQQP-SFHVURJKSA-N 1 3 321.509 2.751 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1=CCCCC1 ZINC000358869528 428713289 /nfs/dbraw/zinc/71/32/89/428713289.db2.gz FLELOKYJTZEQQP-SFHVURJKSA-N 1 3 321.509 2.751 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCC[C@H]3CCCF)C2)CC1 ZINC000374616576 428713768 /nfs/dbraw/zinc/71/37/68/428713768.db2.gz AHLFJZQZFDCHSJ-BQFCYCMXSA-N 1 3 311.489 2.663 20 0 DFADHO CC(C)[C@@H](c1nc(-c2ccc(CN(C)C)cc2)no1)[C@H](C)[NH3+] ZINC000416398793 428731811 /nfs/dbraw/zinc/73/18/11/428731811.db2.gz FUFDNJGIUUDZQI-SWLSCSKDSA-N 1 3 302.422 2.885 20 0 DFADHO CCN1C[C@H](C)[C@H]([NH2+]CC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000344619678 428683381 /nfs/dbraw/zinc/68/33/81/428683381.db2.gz XDKWLNRFMHKVSU-YQVWRLOYSA-N 1 3 303.494 2.827 20 0 DFADHO CC[N@H+](CCC1CCN(C(=O)[C@H]2CCCN2C)CC1)CC(C)C ZINC000359014552 428772173 /nfs/dbraw/zinc/77/21/73/428772173.db2.gz VDCSPFRGCYLDJG-GOSISDBHSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCCN2C)CC1)CC(C)C ZINC000359014552 428772176 /nfs/dbraw/zinc/77/21/76/428772176.db2.gz VDCSPFRGCYLDJG-GOSISDBHSA-N 1 3 323.525 2.687 20 0 DFADHO CCOC(=O)C1(C)CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000353929415 428781994 /nfs/dbraw/zinc/78/19/94/428781994.db2.gz MECBSLUZHDPIBG-GARNVTTQSA-N 1 3 308.466 2.715 20 0 DFADHO CC(C)SCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000374911252 428783350 /nfs/dbraw/zinc/78/33/50/428783350.db2.gz KVKNLXPLDZYXKM-HOTGVXAUSA-N 1 3 314.539 2.949 20 0 DFADHO C[C@@H]1C[C@@H]1CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000348561782 428790143 /nfs/dbraw/zinc/79/01/43/428790143.db2.gz YAOQXGCLVUDRDA-RLLQIKCJSA-N 1 3 313.489 2.535 20 0 DFADHO C[C@@H]1C[C@@H]1CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000348561782 428790147 /nfs/dbraw/zinc/79/01/47/428790147.db2.gz YAOQXGCLVUDRDA-RLLQIKCJSA-N 1 3 313.489 2.535 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCOCCOc2ccccc2)[C@H](C)C1 ZINC000348632262 428799563 /nfs/dbraw/zinc/79/95/63/428799563.db2.gz DFJGFABXWKSDRY-IEBWSBKVSA-N 1 3 320.477 2.744 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCOCCOc2ccccc2)[C@H](C)C1 ZINC000348632262 428799568 /nfs/dbraw/zinc/79/95/68/428799568.db2.gz DFJGFABXWKSDRY-IEBWSBKVSA-N 1 3 320.477 2.744 20 0 DFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCCCC1 ZINC000359067289 428801612 /nfs/dbraw/zinc/80/16/12/428801612.db2.gz VWXKEDKWJWRWRT-SJLPKXTDSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCCCC1 ZINC000359067289 428801615 /nfs/dbraw/zinc/80/16/15/428801615.db2.gz VWXKEDKWJWRWRT-SJLPKXTDSA-N 1 3 321.509 2.630 20 0 DFADHO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(CN4CCCCC4)c3)C[C@@H]12 ZINC000411499586 428806475 /nfs/dbraw/zinc/80/64/75/428806475.db2.gz DERRIAIANLXDQK-VAMGGRTRSA-N 1 3 314.473 2.875 20 0 DFADHO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(CN4CCCCC4)c3)C[C@@H]12 ZINC000411499586 428806478 /nfs/dbraw/zinc/80/64/78/428806478.db2.gz DERRIAIANLXDQK-VAMGGRTRSA-N 1 3 314.473 2.875 20 0 DFADHO CCCNC(=O)CCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000411518629 428811648 /nfs/dbraw/zinc/81/16/48/428811648.db2.gz PVVSJTFJHNAMLV-HOTGVXAUSA-N 1 3 309.498 2.535 20 0 DFADHO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000375171242 428816424 /nfs/dbraw/zinc/81/64/24/428816424.db2.gz NMCVMRQBPWRWPH-SJORKVTESA-N 1 3 321.465 2.757 20 0 DFADHO Cc1noc(C)c1CO[C@H]1CC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000375171242 428816428 /nfs/dbraw/zinc/81/64/28/428816428.db2.gz NMCVMRQBPWRWPH-SJORKVTESA-N 1 3 321.465 2.757 20 0 DFADHO C[C@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@@H]1O ZINC000411562755 428817783 /nfs/dbraw/zinc/81/77/83/428817783.db2.gz BYISKQJHJBYHEL-LPHOPBHVSA-N 1 3 302.462 2.875 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000359117264 428824387 /nfs/dbraw/zinc/82/43/87/428824387.db2.gz SFRMQAJNIVDHAN-MISYRCLQSA-N 1 3 315.505 2.971 20 0 DFADHO CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000359119201 428825353 /nfs/dbraw/zinc/82/53/53/428825353.db2.gz WWTWATKVUMOKRM-DLBZAZTESA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)CC(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000359119201 428825359 /nfs/dbraw/zinc/82/53/59/428825359.db2.gz WWTWATKVUMOKRM-DLBZAZTESA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)CC(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000359119201 428825365 /nfs/dbraw/zinc/82/53/65/428825365.db2.gz WWTWATKVUMOKRM-DLBZAZTESA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000411655146 428834615 /nfs/dbraw/zinc/83/46/15/428834615.db2.gz IRJNUZVFKSSLAE-QFBILLFUSA-N 1 3 302.462 2.875 20 0 DFADHO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000411655146 428834620 /nfs/dbraw/zinc/83/46/20/428834620.db2.gz IRJNUZVFKSSLAE-QFBILLFUSA-N 1 3 302.462 2.875 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(C)ccc2OC)C1 ZINC000354088907 428856904 /nfs/dbraw/zinc/85/69/04/428856904.db2.gz WBYDYRUCMJGZTM-GOSISDBHSA-N 1 3 320.477 2.936 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000354105862 428864453 /nfs/dbraw/zinc/86/44/53/428864453.db2.gz FMTUGGXYUUHBPN-MRXNPFEDSA-N 1 3 322.497 2.640 20 0 DFADHO C[NH+](C)CCCOc1ccc(CN[C@H]2COC(C)(C)C2)cc1 ZINC000417898455 428871213 /nfs/dbraw/zinc/87/12/13/428871213.db2.gz JJQWURUEBRCRIH-MRXNPFEDSA-N 1 3 306.450 2.674 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC)cc1 ZINC000349034694 428903934 /nfs/dbraw/zinc/90/39/34/428903934.db2.gz FGYDQPOWAJKBPR-SFHVURJKSA-N 1 3 319.493 2.543 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC)cc1 ZINC000349034694 428903937 /nfs/dbraw/zinc/90/39/37/428903937.db2.gz FGYDQPOWAJKBPR-SFHVURJKSA-N 1 3 319.493 2.543 20 0 DFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC000349040481 428905252 /nfs/dbraw/zinc/90/52/52/428905252.db2.gz ASCNIEVQWVRNLQ-DLBZAZTESA-N 1 3 309.498 2.632 20 0 DFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC000349040481 428905257 /nfs/dbraw/zinc/90/52/57/428905257.db2.gz ASCNIEVQWVRNLQ-DLBZAZTESA-N 1 3 309.498 2.632 20 0 DFADHO Cc1ncc(CN(C)C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000363459309 428920631 /nfs/dbraw/zinc/92/06/31/428920631.db2.gz JXKVDHWRHFECDC-UHFFFAOYSA-N 1 3 302.447 2.947 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000354222008 428922994 /nfs/dbraw/zinc/92/29/94/428922994.db2.gz IGHKKKFCAOQOOX-RHSMWYFYSA-N 1 3 321.440 2.959 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000354222008 428923002 /nfs/dbraw/zinc/92/30/02/428923002.db2.gz IGHKKKFCAOQOOX-RHSMWYFYSA-N 1 3 321.440 2.959 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000349115841 428923223 /nfs/dbraw/zinc/92/32/23/428923223.db2.gz DZISJCGOOBIXAO-OKZBNKHCSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1 ZINC000375717141 428951769 /nfs/dbraw/zinc/95/17/69/428951769.db2.gz FLCYQZXWTZMUFL-AEFFLSMTSA-N 1 3 301.478 2.548 20 0 DFADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cnc(C(C)(C)C)s1 ZINC000349288535 428957792 /nfs/dbraw/zinc/95/77/92/428957792.db2.gz VWIISHDAAYNFPE-UHFFFAOYSA-N 1 3 324.538 2.510 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@H](O)c1ccc(Cl)cc1)C2 ZINC000375762483 428963876 /nfs/dbraw/zinc/96/38/76/428963876.db2.gz YNBCUDPBDSQWQI-WFVVYAPDSA-N 1 3 308.853 2.930 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@H](O)c1ccc(Cl)cc1)C2 ZINC000375762483 428963878 /nfs/dbraw/zinc/96/38/78/428963878.db2.gz YNBCUDPBDSQWQI-WFVVYAPDSA-N 1 3 308.853 2.930 20 0 DFADHO CN(C)C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423769107 429015116 /nfs/dbraw/zinc/01/51/16/429015116.db2.gz FRNULFFAIMRSIO-JKSUJKDBSA-N 1 3 323.868 2.591 20 0 DFADHO NC1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCCC1 ZINC000423777100 429017455 /nfs/dbraw/zinc/01/74/55/429017455.db2.gz RDPGUTSKRXZICA-UHFFFAOYSA-N 1 3 301.434 2.535 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000423788461 429021843 /nfs/dbraw/zinc/02/18/43/429021843.db2.gz SHGUNBCBKFXIDQ-NXHRZFHOSA-N 1 3 315.461 2.916 20 0 DFADHO CC[NH+]1CCC(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC000433383110 429030548 /nfs/dbraw/zinc/03/05/48/429030548.db2.gz RIAFPWXSCCQDBO-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO OCC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC(c2ccccc2)C1 ZINC000433085628 428992450 /nfs/dbraw/zinc/99/24/50/428992450.db2.gz WZCGYEUPSRNUCK-WBFXSEPVSA-N 1 3 314.473 2.759 20 0 DFADHO OCC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC(c2ccccc2)C1 ZINC000433085628 428992456 /nfs/dbraw/zinc/99/24/56/428992456.db2.gz WZCGYEUPSRNUCK-WBFXSEPVSA-N 1 3 314.473 2.759 20 0 DFADHO Cc1cc(C)cc([C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000375842568 428994068 /nfs/dbraw/zinc/99/40/68/428994068.db2.gz WAZHSCGEMGICIM-ZSYWTGECSA-N 1 3 302.462 2.799 20 0 DFADHO Cc1cc(C)cc([C@H](O)CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000375842568 428994075 /nfs/dbraw/zinc/99/40/75/428994075.db2.gz WAZHSCGEMGICIM-ZSYWTGECSA-N 1 3 302.462 2.799 20 0 DFADHO Cc1cccc(N2CCC([NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)CC2)n1 ZINC000363791591 428994205 /nfs/dbraw/zinc/99/42/05/428994205.db2.gz TXPNALLYMJSDBD-UWWQBHOKSA-N 1 3 316.493 2.677 20 0 DFADHO C[C@@H](CC[NH2+]C1CCN(c2nccs2)CC1)N1CCCCC1 ZINC000363861403 429000329 /nfs/dbraw/zinc/00/03/29/429000329.db2.gz MHDMRJYMRVDGCN-HNNXBMFYSA-N 1 3 322.522 2.966 20 0 DFADHO CC(C)CN(C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000423763911 429011943 /nfs/dbraw/zinc/01/19/43/429011943.db2.gz SCHFNRKHFQRMNC-IRXDYDNUSA-N 1 3 323.525 2.591 20 0 DFADHO Cn1cc([C@@H](NCCC[C@@H]2CCC[NH2+]2)c2cccc(F)c2)cn1 ZINC000423488370 429096143 /nfs/dbraw/zinc/09/61/43/429096143.db2.gz VKTXSQDJDLFUQU-ROUUACIJSA-N 1 3 316.424 2.770 20 0 DFADHO CC(C)C[N@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CCCC1 ZINC000355390450 429044488 /nfs/dbraw/zinc/04/44/88/429044488.db2.gz GAYXLYXLDJGNLO-UHFFFAOYSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)C[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CCCC1 ZINC000355390450 429044491 /nfs/dbraw/zinc/04/44/91/429044491.db2.gz GAYXLYXLDJGNLO-UHFFFAOYSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423278037 429055669 /nfs/dbraw/zinc/05/56/69/429055669.db2.gz QKAYFJYRXGVGST-BLLLJJGKSA-N 1 3 304.438 2.604 20 0 DFADHO CCC(N)(CC)C[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000423287525 429057094 /nfs/dbraw/zinc/05/70/94/429057094.db2.gz MTWPFXLMQLCPMB-QGZVFWFLSA-N 1 3 303.450 2.587 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423285673 429057265 /nfs/dbraw/zinc/05/72/65/429057265.db2.gz ZNCRZESJTLLCJC-FSGKZVOOSA-N 1 3 313.489 2.899 20 0 DFADHO C[C@@H](Cc1ccc(F)cc1Br)NCC(C)(C)[NH3+] ZINC000423286701 429057567 /nfs/dbraw/zinc/05/75/67/429057567.db2.gz IHFFAQUYBWFGFK-VIFPVBQESA-N 1 3 303.219 2.846 20 0 DFADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423285257 429057681 /nfs/dbraw/zinc/05/76/81/429057681.db2.gz YYLHRNWUNOSTPJ-ZNMIVQPWSA-N 1 3 319.449 2.519 20 0 DFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423285257 429057685 /nfs/dbraw/zinc/05/76/85/429057685.db2.gz YYLHRNWUNOSTPJ-ZNMIVQPWSA-N 1 3 319.449 2.519 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000423309587 429059472 /nfs/dbraw/zinc/05/94/72/429059472.db2.gz QGVOFFCCGMCCCI-DNVCBOLYSA-N 1 3 323.440 2.711 20 0 DFADHO CCCC[C@H](C[NH3+])N[C@H](C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423303345 429060980 /nfs/dbraw/zinc/06/09/80/429060980.db2.gz WXKWBYWODVTGGJ-QRQLOZEOSA-N 1 3 319.493 2.556 20 0 DFADHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423320391 429062127 /nfs/dbraw/zinc/06/21/27/429062127.db2.gz GEZQIFYHNFBUST-CQSZACIVSA-N 1 3 314.433 2.531 20 0 DFADHO N[C@H](C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1)C1CC1 ZINC000423315528 429062340 /nfs/dbraw/zinc/06/23/40/429062340.db2.gz IWTRUQVYSRXNJQ-BRWVUGGUSA-N 1 3 308.853 2.757 20 0 DFADHO C[C@H](NCCCC[NH3+])c1ccccc1I ZINC000423330030 429066011 /nfs/dbraw/zinc/06/60/11/429066011.db2.gz LQYHXAULESYDAI-JTQLQIEISA-N 1 3 318.202 2.681 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423323519 429066364 /nfs/dbraw/zinc/06/63/64/429066364.db2.gz HZMRQHGFJTWWEU-SJLPKXTDSA-N 1 3 323.525 2.912 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423323519 429066367 /nfs/dbraw/zinc/06/63/67/429066367.db2.gz HZMRQHGFJTWWEU-SJLPKXTDSA-N 1 3 323.525 2.912 20 0 DFADHO C[C@@H](CNC(=O)[C@@H](N)CC1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000423343728 429069919 /nfs/dbraw/zinc/06/99/19/429069919.db2.gz XDKJXSABGZSVPN-VYDXJSESSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@@H](CNC(=O)[C@@H](N)CC1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000423343728 429069926 /nfs/dbraw/zinc/06/99/26/429069926.db2.gz XDKJXSABGZSVPN-VYDXJSESSA-N 1 3 309.498 2.521 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)N[C@@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000423359467 429072308 /nfs/dbraw/zinc/07/23/08/429072308.db2.gz KOJHAUTUDNXDAI-HGTKMLMNSA-N 1 3 306.450 2.783 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@H](N)C2)c(C)c1OC ZINC000423371350 429074159 /nfs/dbraw/zinc/07/41/59/429074159.db2.gz QEZGCAWUPCKLNA-RCBQFDQVSA-N 1 3 306.450 2.803 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)c(C)c1OC ZINC000423371350 429074163 /nfs/dbraw/zinc/07/41/63/429074163.db2.gz QEZGCAWUPCKLNA-RCBQFDQVSA-N 1 3 306.450 2.803 20 0 DFADHO C[NH+](C)CCc1ccc(NC(=O)[C@@H]2NCCCC2(C)C)cc1 ZINC000423372872 429074673 /nfs/dbraw/zinc/07/46/73/429074673.db2.gz HILYDLPAKNIMOT-INIZCTEOSA-N 1 3 303.450 2.507 20 0 DFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](N)CC1CCCCC1 ZINC000423369100 429074708 /nfs/dbraw/zinc/07/47/08/429074708.db2.gz SIVRURZWTJKHOL-HLLBOEOZSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](N)CC1CCCCC1 ZINC000423369100 429074710 /nfs/dbraw/zinc/07/47/10/429074710.db2.gz SIVRURZWTJKHOL-HLLBOEOZSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CCN1 ZINC000423382252 429076144 /nfs/dbraw/zinc/07/61/44/429076144.db2.gz OTGUPKBTVWHJKK-QFHJOOASSA-N 1 3 301.478 2.627 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423382135 429077646 /nfs/dbraw/zinc/07/76/46/429077646.db2.gz DGHKTKYIETUFPB-KFNAQCHYSA-N 1 3 323.278 2.894 20 0 DFADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCc2cccc(Br)c2C1 ZINC000423382135 429077650 /nfs/dbraw/zinc/07/76/50/429077650.db2.gz DGHKTKYIETUFPB-KFNAQCHYSA-N 1 3 323.278 2.894 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000423384020 429078702 /nfs/dbraw/zinc/07/87/02/429078702.db2.gz PXGKJQVEGNMKFN-HLPPOEQASA-N 1 3 306.450 2.926 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423397456 429078792 /nfs/dbraw/zinc/07/87/92/429078792.db2.gz SWLHKFYYCHKMRS-KKSFZXQISA-N 1 3 321.468 2.900 20 0 DFADHO COCC1(CN[C@H](c2ncc[nH]2)C2CCCCC2)CC[NH2+]CC1 ZINC000423396887 429080060 /nfs/dbraw/zinc/08/00/60/429080060.db2.gz BQNCKZINBAKKCH-INIZCTEOSA-N 1 3 320.481 2.637 20 0 DFADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000424038118 429081084 /nfs/dbraw/zinc/08/10/84/429081084.db2.gz HXCANGASPZXSAC-IAGOWNOFSA-N 1 3 321.509 2.521 20 0 DFADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000424038119 429081399 /nfs/dbraw/zinc/08/13/99/429081399.db2.gz HXCANGASPZXSAC-IRXDYDNUSA-N 1 3 321.509 2.521 20 0 DFADHO COC[C@]1(C[NH2+][C@@H](COCc2ccccc2)C(C)C)CCCN1 ZINC000423412865 429083047 /nfs/dbraw/zinc/08/30/47/429083047.db2.gz IXEWKGIXBLRKLE-RBUKOAKNSA-N 1 3 320.477 2.586 20 0 DFADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423413905 429083440 /nfs/dbraw/zinc/08/34/40/429083440.db2.gz BFJWZKXRAABQHE-XOSAIJSUSA-N 1 3 308.853 2.536 20 0 DFADHO CN(CCCc1nc(-c2ccccc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435620351 429153029 /nfs/dbraw/zinc/15/30/29/429153029.db2.gz BHFQIZOELQRSAL-MRXNPFEDSA-N 1 3 314.433 2.743 20 0 DFADHO CCN(CCC(=O)Nc1cccc(F)c1C)[C@H]1CCC[NH2+]CC1 ZINC000435626831 429155996 /nfs/dbraw/zinc/15/59/96/429155996.db2.gz LOIBDZNWGQONMH-HNNXBMFYSA-N 1 3 321.440 2.927 20 0 DFADHO CC[N@H+](CCC(=O)Nc1cccc(F)c1C)[C@H]1CCCNCC1 ZINC000435626831 429155999 /nfs/dbraw/zinc/15/59/99/429155999.db2.gz LOIBDZNWGQONMH-HNNXBMFYSA-N 1 3 321.440 2.927 20 0 DFADHO CC[N@@H+](CCC(=O)Nc1cccc(F)c1C)[C@H]1CCCNCC1 ZINC000435626831 429156002 /nfs/dbraw/zinc/15/60/02/429156002.db2.gz LOIBDZNWGQONMH-HNNXBMFYSA-N 1 3 321.440 2.927 20 0 DFADHO C[C@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)N(C)C1CC1 ZINC000424143226 429098497 /nfs/dbraw/zinc/09/84/97/429098497.db2.gz FNTNQDFFPMTFMQ-GDBMZVCRSA-N 1 3 309.498 2.663 20 0 DFADHO C[C@@H]1C[C@@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CCN1C ZINC000424139054 429098877 /nfs/dbraw/zinc/09/88/77/429098877.db2.gz DVAPAQPXHNYHTQ-PVAVHDDUSA-N 1 3 309.498 2.663 20 0 DFADHO CC(C)n1cncc1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000424154300 429100654 /nfs/dbraw/zinc/10/06/54/429100654.db2.gz JNBNWDYWUUPUOU-UHFFFAOYSA-N 1 3 313.449 2.865 20 0 DFADHO CC[C@H](c1ccc(C(=O)OC)cc1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423505223 429101836 /nfs/dbraw/zinc/10/18/36/429101836.db2.gz GRXUVYZEPIZDFU-MZMPZRCHSA-N 1 3 304.434 2.841 20 0 DFADHO CC[C@H](c1ccc(C(=O)OC)cc1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423505223 429101839 /nfs/dbraw/zinc/10/18/39/429101839.db2.gz GRXUVYZEPIZDFU-MZMPZRCHSA-N 1 3 304.434 2.841 20 0 DFADHO CC[C@H](c1ccc(C(=O)OC)cc1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423505223 429101841 /nfs/dbraw/zinc/10/18/41/429101841.db2.gz GRXUVYZEPIZDFU-MZMPZRCHSA-N 1 3 304.434 2.841 20 0 DFADHO C[C@H]([C@H]1CCN(Cc2ccccc2)C1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423508254 429103234 /nfs/dbraw/zinc/10/32/34/429103234.db2.gz KNXMTTWNYULCMN-IZBJGVDFSA-N 1 3 315.505 2.814 20 0 DFADHO C[C@H]([C@H]1CCN(Cc2ccccc2)C1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423508254 429103236 /nfs/dbraw/zinc/10/32/36/429103236.db2.gz KNXMTTWNYULCMN-IZBJGVDFSA-N 1 3 315.505 2.814 20 0 DFADHO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)[C@H](c3ccccc3)C2)C[C@@]1(C)CN ZINC000423515333 429106063 /nfs/dbraw/zinc/10/60/63/429106063.db2.gz VEZRBWUDNWMPGL-OQIJWPOYSA-N 1 3 301.478 2.739 20 0 DFADHO C[C@@H]1C[N@H+]([C@@H]2CCN(C)[C@H](c3ccccc3)C2)C[C@@]1(C)CN ZINC000423515333 429106068 /nfs/dbraw/zinc/10/60/68/429106068.db2.gz VEZRBWUDNWMPGL-OQIJWPOYSA-N 1 3 301.478 2.739 20 0 DFADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCCO2)c2ccccc12 ZINC000423524183 429107772 /nfs/dbraw/zinc/10/77/72/429107772.db2.gz SRORGAGOFCBIPR-GJZGRUSLSA-N 1 3 314.429 2.878 20 0 DFADHO CC(C)CCC[C@H](C)NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297389 429120644 /nfs/dbraw/zinc/12/06/44/429120644.db2.gz SNIJMYNOXHGBIQ-IRXDYDNUSA-N 1 3 323.525 2.781 20 0 DFADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)C[C@H]2C1 ZINC000424306489 429123110 /nfs/dbraw/zinc/12/31/10/429123110.db2.gz VMYRFYYPFAMZOF-KPFGOTRDSA-N 1 3 324.509 2.669 20 0 DFADHO Cc1ccc(C)c(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424302560 429123241 /nfs/dbraw/zinc/12/32/41/429123241.db2.gz ZXFMTWWORBCIMT-INIZCTEOSA-N 1 3 315.461 2.706 20 0 DFADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C1CC(CC(=O)OC)C1 ZINC000424321540 429127091 /nfs/dbraw/zinc/12/70/91/429127091.db2.gz ULIXNPMVBPOUAC-MNAZLIDISA-N 1 3 310.482 2.818 20 0 DFADHO C[C@H]1CC2(CN1Cc1cnc([C@H]3CCCO3)s1)CC[NH2+]CC2 ZINC000424370445 429132503 /nfs/dbraw/zinc/13/25/03/429132503.db2.gz CHURAPSMLUVGIT-DZGCQCFKSA-N 1 3 321.490 2.959 20 0 DFADHO CCN(Cc1cc(OC)c(OC)cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435381719 429136561 /nfs/dbraw/zinc/13/65/61/429136561.db2.gz VKLPNBQWCWWMCI-MRXNPFEDSA-N 1 3 306.450 2.976 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000435377808 429136769 /nfs/dbraw/zinc/13/67/69/429136769.db2.gz FKJQGFINFPEXRP-QEJZJMRPSA-N 1 3 300.406 2.537 20 0 DFADHO [NH3+]C[C@@H]1CCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435395740 429139929 /nfs/dbraw/zinc/13/99/29/429139929.db2.gz RKWJPQBBDDSWDC-ZDUSSCGKSA-N 1 3 324.350 2.672 20 0 DFADHO O=C1CC[C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)c2cc(F)ccc2N1 ZINC000364941899 275018247 /nfs/dbraw/zinc/01/82/47/275018247.db2.gz QCCFHYCHCXCFNN-WBMJQRKESA-N 1 3 317.408 2.673 20 0 DFADHO CC[C@H](C(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[NH+](CC)CC ZINC000488888667 429204899 /nfs/dbraw/zinc/20/48/99/429204899.db2.gz IXZCOBKWSQJFQM-IAGOWNOFSA-N 1 3 323.456 2.665 20 0 DFADHO CCN(CC)CCC[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000445255290 429284273 /nfs/dbraw/zinc/28/42/73/429284273.db2.gz SKPQSWDDSMSQKH-UHFFFAOYSA-N 1 3 309.420 2.677 20 0 DFADHO CCN(CC)CCC[N@@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000445255290 429284276 /nfs/dbraw/zinc/28/42/76/429284276.db2.gz SKPQSWDDSMSQKH-UHFFFAOYSA-N 1 3 309.420 2.677 20 0 DFADHO CC[NH+](CC)CCCN(C)C1CCN(CC(F)(F)F)CC1 ZINC000445255290 429284281 /nfs/dbraw/zinc/28/42/81/429284281.db2.gz SKPQSWDDSMSQKH-UHFFFAOYSA-N 1 3 309.420 2.677 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425407114 429287921 /nfs/dbraw/zinc/28/79/21/429287921.db2.gz OAZUNOGDSFGBMC-KRWDZBQOSA-N 1 3 323.525 2.830 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425407114 429287924 /nfs/dbraw/zinc/28/79/24/429287924.db2.gz OAZUNOGDSFGBMC-KRWDZBQOSA-N 1 3 323.525 2.830 20 0 DFADHO CCN(CC)CCC[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000495616811 429233955 /nfs/dbraw/zinc/23/39/55/429233955.db2.gz GPIBFADPHUXGFF-UHFFFAOYSA-N 1 3 313.486 2.565 20 0 DFADHO C[NH+]1CCC(CCNCc2cnc(C(F)(F)F)s2)CC1 ZINC000443983688 429260645 /nfs/dbraw/zinc/26/06/45/429260645.db2.gz WQGLFBJZEQVYMC-UHFFFAOYSA-N 1 3 307.385 2.983 20 0 DFADHO CSCC1CCC([NH2+]C2CCN(CCN(C)C)CC2)CC1 ZINC000449071155 429323510 /nfs/dbraw/zinc/32/35/10/429323510.db2.gz AJPDVZJFBWTLKJ-UHFFFAOYSA-N 1 3 313.555 2.524 20 0 DFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000449107606 429334069 /nfs/dbraw/zinc/33/40/69/429334069.db2.gz MZXJAFZHKZCSHQ-SJORKVTESA-N 1 3 319.493 2.950 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCCOC2)CC1 ZINC000449121461 429339024 /nfs/dbraw/zinc/33/90/24/429339024.db2.gz HURDSTYXXVIMNB-LPHOPBHVSA-N 1 3 302.462 2.851 20 0 DFADHO OCC[NH+]1CCC(CNCc2cc(Cl)sc2Cl)CC1 ZINC000449124457 429339290 /nfs/dbraw/zinc/33/92/90/429339290.db2.gz QKMHGUINGDZJKM-UHFFFAOYSA-N 1 3 323.289 2.849 20 0 DFADHO Cc1n[nH]cc1C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449157266 429344874 /nfs/dbraw/zinc/34/48/74/429344874.db2.gz PQTSBSBAOKDIIH-OAHLLOKOSA-N 1 3 312.461 2.903 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC000426500966 429397582 /nfs/dbraw/zinc/39/75/82/429397582.db2.gz PZIVBBYZEVKJPH-HNNXBMFYSA-N 1 3 305.466 2.598 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC000426500966 429397585 /nfs/dbraw/zinc/39/75/85/429397585.db2.gz PZIVBBYZEVKJPH-HNNXBMFYSA-N 1 3 305.466 2.598 20 0 DFADHO CN1CCN(CC[NH2+]Cc2ccc3c(c2)CCCC3)CC1(C)C ZINC000491348263 429349923 /nfs/dbraw/zinc/34/99/23/429349923.db2.gz RNMVHAHQMQHLJU-UHFFFAOYSA-N 1 3 315.505 2.681 20 0 DFADHO Fc1cccc(CCNCc2cc(C3CC[NH2+]CC3)no2)c1F ZINC000425904682 429350429 /nfs/dbraw/zinc/35/04/29/429350429.db2.gz ZOSDJTYOIXPLQZ-UHFFFAOYSA-N 1 3 321.371 2.752 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2C[C@H](O)C2(C)C)CC1 ZINC000449256017 429366646 /nfs/dbraw/zinc/36/66/46/429366646.db2.gz BMQRKJBKAJAYLN-MNEFBYGVSA-N 1 3 316.489 2.831 20 0 DFADHO Cc1ccc(C[NH2+]C[C@@H](C)CN(C)C)c(-c2ccnn2C)c1 ZINC000491542358 429372231 /nfs/dbraw/zinc/37/22/31/429372231.db2.gz CSEQVLJEXFVRPA-OAHLLOKOSA-N 1 3 300.450 2.683 20 0 DFADHO Cc1ccc(CNC[C@@H](C)C[NH+](C)C)c(-c2ccnn2C)c1 ZINC000491542358 429372235 /nfs/dbraw/zinc/37/22/35/429372235.db2.gz CSEQVLJEXFVRPA-OAHLLOKOSA-N 1 3 300.450 2.683 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449562030 429450418 /nfs/dbraw/zinc/45/04/18/429450418.db2.gz ZKAZWYJIWXAFKQ-FCLXEUQJSA-N 1 3 319.424 2.758 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449562030 429450421 /nfs/dbraw/zinc/45/04/21/429450421.db2.gz ZKAZWYJIWXAFKQ-FCLXEUQJSA-N 1 3 319.424 2.758 20 0 DFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000427483159 429453667 /nfs/dbraw/zinc/45/36/67/429453667.db2.gz BXEQHDUWTHHHGB-WBVHZDCISA-N 1 3 309.498 2.628 20 0 DFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000427483159 429453670 /nfs/dbraw/zinc/45/36/70/429453670.db2.gz BXEQHDUWTHHHGB-WBVHZDCISA-N 1 3 309.498 2.628 20 0 DFADHO CN1CC[C@H](C[NH2+]Cc2cnc3cnccn23)[C@H]1c1ccccc1 ZINC000366449783 429454614 /nfs/dbraw/zinc/45/46/14/429454614.db2.gz NPSZDKUKDGNPNM-VQIMIIECSA-N 1 3 321.428 2.512 20 0 DFADHO CC(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297691296 275717019 /nfs/dbraw/zinc/71/70/19/275717019.db2.gz PWEKEJJNNAKFFK-MAUKXSAKSA-N 1 3 303.450 2.701 20 0 DFADHO CC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H](O)C(F)F ZINC000449425053 429414365 /nfs/dbraw/zinc/41/43/65/429414365.db2.gz QXFCAMKPWNDSEG-LSDHHAIUSA-N 1 3 304.425 2.778 20 0 DFADHO CCn1nccc1C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000366104993 429419314 /nfs/dbraw/zinc/41/93/14/429419314.db2.gz SOEVHPIKDSSAOK-UHFFFAOYSA-N 1 3 304.482 2.958 20 0 DFADHO CCCCN1CCCC[C@H]1CNC(=O)[C@H](CCC)[NH2+]C(C)C ZINC000491900259 429430972 /nfs/dbraw/zinc/43/09/72/429430972.db2.gz DMXMVYZOZCWSOK-IRXDYDNUSA-N 1 3 311.514 2.924 20 0 DFADHO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000449483041 429431200 /nfs/dbraw/zinc/43/12/00/429431200.db2.gz FWKFNYYOJDBKID-AEFFLSMTSA-N 1 3 301.478 2.964 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@@H](C)C1 ZINC000366220835 429436621 /nfs/dbraw/zinc/43/66/21/429436621.db2.gz VZBJFZHYFFERMA-LXZKKBNFSA-N 1 3 323.431 2.863 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@@H](C)C1 ZINC000366220835 429436624 /nfs/dbraw/zinc/43/66/24/429436624.db2.gz VZBJFZHYFFERMA-LXZKKBNFSA-N 1 3 323.431 2.863 20 0 DFADHO [NH3+]CCC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000519756848 429485488 /nfs/dbraw/zinc/48/54/88/429485488.db2.gz FLPDPKUVDINIHB-UHFFFAOYSA-N 1 3 302.397 2.572 20 0 DFADHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C1CCC1 ZINC000449738995 429492974 /nfs/dbraw/zinc/49/29/74/429492974.db2.gz HSLPLJHOUAHXJJ-UAFMIMERSA-N 1 3 314.473 2.648 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCOc2ccccc2C(F)(F)F)C1 ZINC000519833202 429493968 /nfs/dbraw/zinc/49/39/68/429493968.db2.gz BPPHHLUWBKDQPK-RYUDHWBXSA-N 1 3 302.340 2.944 20 0 DFADHO Cc1cc(C)cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000367032539 429561557 /nfs/dbraw/zinc/56/15/57/429561557.db2.gz ZWYZTBIUHDXZQA-UYAOXDASSA-N 1 3 315.505 2.761 20 0 DFADHO Cc1nccn1CCCCN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429024184 429573817 /nfs/dbraw/zinc/57/38/17/429573817.db2.gz WSTYBVQHHNFATJ-JFIYKMOQSA-N 1 3 304.482 2.634 20 0 DFADHO Cc1nccn1CCCCN1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429024184 429573822 /nfs/dbraw/zinc/57/38/22/429573822.db2.gz WSTYBVQHHNFATJ-JFIYKMOQSA-N 1 3 304.482 2.634 20 0 DFADHO O[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000522014333 429576634 /nfs/dbraw/zinc/57/66/34/429576634.db2.gz SHDCODSWIMSGOC-IAGOWNOFSA-N 1 3 308.491 2.853 20 0 DFADHO C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000449930280 429538857 /nfs/dbraw/zinc/53/88/57/429538857.db2.gz LKWNOVKFEXLPGB-SFHVURJKSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H](NC1CC1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000521252591 429544522 /nfs/dbraw/zinc/54/45/22/429544522.db2.gz KSKOELNWBDMTDK-CVEARBPZSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](NC1CC1)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000521252591 429544525 /nfs/dbraw/zinc/54/45/25/429544525.db2.gz KSKOELNWBDMTDK-CVEARBPZSA-N 1 3 321.509 2.630 20 0 DFADHO CN(CCCO)C1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450406402 429621161 /nfs/dbraw/zinc/62/11/61/429621161.db2.gz GFLZRNOJUDLYGZ-BJMVGYQFSA-N 1 3 302.462 2.869 20 0 DFADHO CN(CC[C@H]1CCCC[N@@H+]1C)CCN(C)Cc1ccccc1 ZINC000429701365 429626132 /nfs/dbraw/zinc/62/61/32/429626132.db2.gz VGZNAQSTLXPQCR-LJQANCHMSA-N 1 3 303.494 2.925 20 0 DFADHO CN(CC[C@H]1CCCC[N@H+]1C)CCN(C)Cc1ccccc1 ZINC000429701365 429626136 /nfs/dbraw/zinc/62/61/36/429626136.db2.gz VGZNAQSTLXPQCR-LJQANCHMSA-N 1 3 303.494 2.925 20 0 DFADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450463780 429633812 /nfs/dbraw/zinc/63/38/12/429633812.db2.gz SAZDGQOLVGESAR-JENIJYKNSA-N 1 3 304.478 2.815 20 0 DFADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450463780 429633817 /nfs/dbraw/zinc/63/38/17/429633817.db2.gz SAZDGQOLVGESAR-JENIJYKNSA-N 1 3 304.478 2.815 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCN(C)Cc2ccccc2)C[C@H]1C ZINC000450465273 429634545 /nfs/dbraw/zinc/63/45/45/429634545.db2.gz DUYGNCQERDBMGW-IEBWSBKVSA-N 1 3 303.494 2.923 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCN(C)Cc2ccccc2)C[C@H]1C ZINC000450465273 429634548 /nfs/dbraw/zinc/63/45/48/429634548.db2.gz DUYGNCQERDBMGW-IEBWSBKVSA-N 1 3 303.494 2.923 20 0 DFADHO Cc1nccn1C[C@@H]1CCCN1C[C@H]1CCCC[N@H+]1C(C)C ZINC000450471395 429636079 /nfs/dbraw/zinc/63/60/79/429636079.db2.gz JYLUMRZCSAKNLZ-ZWKOTPCHSA-N 1 3 304.482 2.919 20 0 DFADHO Cc1nccn1C[C@@H]1CCCN1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000450471395 429636082 /nfs/dbraw/zinc/63/60/82/429636082.db2.gz JYLUMRZCSAKNLZ-ZWKOTPCHSA-N 1 3 304.482 2.919 20 0 DFADHO CCC[NH+]1CCC(N(C)C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450471604 429636244 /nfs/dbraw/zinc/63/62/44/429636244.db2.gz WIRGCNQSBLCVQF-QFBILLFUSA-N 1 3 304.478 2.957 20 0 DFADHO O=C1CC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C2(CCC2)N1 ZINC000367263589 429607784 /nfs/dbraw/zinc/60/77/84/429607784.db2.gz FGIWULPQAMTNSQ-QGZVFWFLSA-N 1 3 319.493 2.574 20 0 DFADHO O=C1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C2(CCC2)N1 ZINC000367263589 429607785 /nfs/dbraw/zinc/60/77/85/429607785.db2.gz FGIWULPQAMTNSQ-QGZVFWFLSA-N 1 3 319.493 2.574 20 0 DFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000429483087 429610989 /nfs/dbraw/zinc/61/09/89/429610989.db2.gz JTMBSKNLJVOJQE-CQSZACIVSA-N 1 3 311.429 2.698 20 0 DFADHO CCN(CC)CC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272365326 276099415 /nfs/dbraw/zinc/09/94/15/276099415.db2.gz OBBSNNPJHVJEHH-HKUYNNGSSA-N 1 3 303.494 2.828 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccccc2Cn2cccn2)[C@@H]2CCC[C@@H]21 ZINC000367601065 429681182 /nfs/dbraw/zinc/68/11/82/429681182.db2.gz MELQDQLTICDHRY-UFYCRDLUSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccccc2Cn2cccn2)[C@@H]2CCC[C@@H]21 ZINC000367601065 429681185 /nfs/dbraw/zinc/68/11/85/429681185.db2.gz MELQDQLTICDHRY-UFYCRDLUSA-N 1 3 324.472 2.894 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1F ZINC000367603083 429681926 /nfs/dbraw/zinc/68/19/26/429681926.db2.gz YDYUWZPMVCUIIX-QXAKKESOSA-N 1 3 319.468 2.850 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1F ZINC000367603083 429681928 /nfs/dbraw/zinc/68/19/28/429681928.db2.gz YDYUWZPMVCUIIX-QXAKKESOSA-N 1 3 319.468 2.850 20 0 DFADHO CN(C)Cc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)ccc1F ZINC000367603083 429681932 /nfs/dbraw/zinc/68/19/32/429681932.db2.gz YDYUWZPMVCUIIX-QXAKKESOSA-N 1 3 319.468 2.850 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCc2ccccc2-c2cnn(C)c2)[C@H](C)C1 ZINC000371433548 276216966 /nfs/dbraw/zinc/21/69/66/276216966.db2.gz XIBVSJJPJMRHGC-DNVCBOLYSA-N 1 3 312.461 2.907 20 0 DFADHO CC[N@H+]1CC[C@@H](NCc2ccccc2-c2cnn(C)c2)[C@H](C)C1 ZINC000371433548 276216969 /nfs/dbraw/zinc/21/69/69/276216969.db2.gz XIBVSJJPJMRHGC-DNVCBOLYSA-N 1 3 312.461 2.907 20 0 DFADHO C[N@@H+]1CC[C@H](NCC[C@](C)(O)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000367631758 429689269 /nfs/dbraw/zinc/68/92/69/429689269.db2.gz FFGGLTNRHMOZBQ-VJANTYMQSA-N 1 3 302.462 2.747 20 0 DFADHO C[N@H+]1CC[C@H](NCC[C@](C)(O)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000367631758 429689274 /nfs/dbraw/zinc/68/92/74/429689274.db2.gz FFGGLTNRHMOZBQ-VJANTYMQSA-N 1 3 302.462 2.747 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3cccn3)cc2)[C@@H]2CCC[C@H]21 ZINC000367613082 429685702 /nfs/dbraw/zinc/68/57/02/429685702.db2.gz FEFPKNVSXQJIFX-SLFFLAALSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc(Cn3cccn3)cc2)[C@@H]2CCC[C@H]21 ZINC000367613082 429685703 /nfs/dbraw/zinc/68/57/03/429685703.db2.gz FEFPKNVSXQJIFX-SLFFLAALSA-N 1 3 324.472 2.894 20 0 DFADHO CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000353666188 276292044 /nfs/dbraw/zinc/29/20/44/276292044.db2.gz YNCTXAZUQUNDPX-QRTARXTBSA-N 1 3 323.506 2.765 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@@]12CCCO2 ZINC000358562422 276351692 /nfs/dbraw/zinc/35/16/92/276351692.db2.gz GUNDHBLZOOGTKV-OTWHNJEPSA-N 1 3 322.493 2.710 20 0 DFADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000430580948 429695934 /nfs/dbraw/zinc/69/59/34/429695934.db2.gz GRKVUATURROSLW-HNNXBMFYSA-N 1 3 313.392 2.599 20 0 DFADHO C[C@@H]1CCC[C@H](C[N@H+](C)[C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000367673253 429697615 /nfs/dbraw/zinc/69/76/15/429697615.db2.gz RCZJALWQPSWVSF-ZIFCJYIRSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCC[C@H](C[N@@H+](C)[C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000367673253 429697619 /nfs/dbraw/zinc/69/76/19/429697619.db2.gz RCZJALWQPSWVSF-ZIFCJYIRSA-N 1 3 307.526 2.913 20 0 DFADHO CCC[C@@H](NC(=O)[C@@H](C)N1CCC(C[NH3+])CC1)c1ccccc1 ZINC000430611985 429702226 /nfs/dbraw/zinc/70/22/26/429702226.db2.gz QJAFBYQOINWBPP-CRAIPNDOSA-N 1 3 317.477 2.703 20 0 DFADHO CN(CCC(=O)Nc1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000430663089 429707183 /nfs/dbraw/zinc/70/71/83/429707183.db2.gz JODJSUAHCBETKT-UHFFFAOYSA-N 1 3 311.429 2.852 20 0 DFADHO C[N@H+](CCC(=O)Nc1cccc2ccccc21)C1CCNCC1 ZINC000430663089 429707186 /nfs/dbraw/zinc/70/71/86/429707186.db2.gz JODJSUAHCBETKT-UHFFFAOYSA-N 1 3 311.429 2.852 20 0 DFADHO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)C1CCNCC1 ZINC000430663089 429707191 /nfs/dbraw/zinc/70/71/91/429707191.db2.gz JODJSUAHCBETKT-UHFFFAOYSA-N 1 3 311.429 2.852 20 0 DFADHO CC(C)CNC(=O)c1cccc(CN2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000430926482 429724857 /nfs/dbraw/zinc/72/48/57/429724857.db2.gz GRQGAJZZVKFLQT-OAHLLOKOSA-N 1 3 317.477 2.632 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H]1CCCN1CC1CCCCC1 ZINC000482892843 429728359 /nfs/dbraw/zinc/72/83/59/429728359.db2.gz YSKGOBHORPZWPJ-QRQLOZEOSA-N 1 3 307.526 2.961 20 0 DFADHO CCC[C@H](N)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000431034882 429737609 /nfs/dbraw/zinc/73/76/09/429737609.db2.gz PGJYWKZIXBKHMJ-NXHRZFHOSA-N 1 3 317.477 2.798 20 0 DFADHO CCC[C@H](N)C(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000431034882 429737610 /nfs/dbraw/zinc/73/76/10/429737610.db2.gz PGJYWKZIXBKHMJ-NXHRZFHOSA-N 1 3 317.477 2.798 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]C/C=C/c2ccncc2)C[C@H](C)O1 ZINC000486940919 429755140 /nfs/dbraw/zinc/75/51/40/429755140.db2.gz QIIJCPKITOJCJR-WZDWLKHJSA-N 1 3 303.450 2.574 20 0 DFADHO C[C@@H]1CCCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000431749389 429780477 /nfs/dbraw/zinc/78/04/77/429780477.db2.gz KVAHYJPDPSOMTO-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1CCCN(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000431749389 429780482 /nfs/dbraw/zinc/78/04/82/429780482.db2.gz KVAHYJPDPSOMTO-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000431906938 429790117 /nfs/dbraw/zinc/79/01/17/429790117.db2.gz KEKQEKPYGZJAPP-RDJZCZTQSA-N 1 3 309.498 2.630 20 0 DFADHO CN1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000527952043 429826425 /nfs/dbraw/zinc/82/64/25/429826425.db2.gz SRXFDEVIUNSMJU-VJANTYMQSA-N 1 3 305.510 2.856 20 0 DFADHO COc1ccc([C@H](C)[NH2+]CC2COC2)cc1CN1CCCCC1 ZINC000528026202 429838115 /nfs/dbraw/zinc/83/81/15/429838115.db2.gz PVIFJRQEHKDNEH-HNNXBMFYSA-N 1 3 318.461 2.978 20 0 DFADHO COC1(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCOCC1 ZINC000368440036 429849708 /nfs/dbraw/zinc/84/97/08/429849708.db2.gz ZVMJIFBETSILFI-ROUUACIJSA-N 1 3 324.509 2.768 20 0 DFADHO COC1(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCOCC1 ZINC000368440036 429849711 /nfs/dbraw/zinc/84/97/11/429849711.db2.gz ZVMJIFBETSILFI-ROUUACIJSA-N 1 3 324.509 2.768 20 0 DFADHO COC1(C[N@@H+]2CCC[C@H](CN3CCCC[C@@H]3C)C2)CCOCC1 ZINC000368440036 429849714 /nfs/dbraw/zinc/84/97/14/429849714.db2.gz ZVMJIFBETSILFI-ROUUACIJSA-N 1 3 324.509 2.768 20 0 DFADHO COC1(C[N@H+]2CCC[C@H](CN3CCCC[C@@H]3C)C2)CCOCC1 ZINC000368440036 429849718 /nfs/dbraw/zinc/84/97/18/429849718.db2.gz ZVMJIFBETSILFI-ROUUACIJSA-N 1 3 324.509 2.768 20 0 DFADHO CS[C@H]1CN(c2ccncc2-c2cccnc2)C[C@H]1[NH+](C)C ZINC000368543113 429864264 /nfs/dbraw/zinc/86/42/64/429864264.db2.gz GBYSTQZHHGYIDI-SJORKVTESA-N 1 3 314.458 2.625 20 0 DFADHO CO[C@@H](Cc1ccc(F)cc1)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000528385356 429882753 /nfs/dbraw/zinc/88/27/53/429882753.db2.gz BPVYEJVFGSAERQ-WMZOPIPTSA-N 1 3 308.441 2.657 20 0 DFADHO CO[C@@H](Cc1ccc(F)cc1)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000528385356 429882756 /nfs/dbraw/zinc/88/27/56/429882756.db2.gz BPVYEJVFGSAERQ-WMZOPIPTSA-N 1 3 308.441 2.657 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000528409002 429886367 /nfs/dbraw/zinc/88/63/67/429886367.db2.gz VSLJPFZOANSFPK-BHIYHBOVSA-N 1 3 320.452 2.799 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000528409002 429886368 /nfs/dbraw/zinc/88/63/68/429886368.db2.gz VSLJPFZOANSFPK-BHIYHBOVSA-N 1 3 320.452 2.799 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000528409002 429886369 /nfs/dbraw/zinc/88/63/69/429886369.db2.gz VSLJPFZOANSFPK-BHIYHBOVSA-N 1 3 320.452 2.799 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000528409002 429886370 /nfs/dbraw/zinc/88/63/70/429886370.db2.gz VSLJPFZOANSFPK-BHIYHBOVSA-N 1 3 320.452 2.799 20 0 DFADHO CN1CCC([NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000369183928 429917705 /nfs/dbraw/zinc/91/77/05/429917705.db2.gz ONPAVFCOYKEZFS-IBGZPJMESA-N 1 3 301.478 2.582 20 0 DFADHO Cc1cccc2ncc(CN3CCCC4(CC[NH+](C)CC4)C3)n21 ZINC000369198804 429918900 /nfs/dbraw/zinc/91/89/00/429918900.db2.gz QHKDZSPXMMJXKR-UHFFFAOYSA-N 1 3 312.461 2.951 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000573776919 429981428 /nfs/dbraw/zinc/98/14/28/429981428.db2.gz CQMFDTDVFNVAPY-CVEARBPZSA-N 1 3 313.555 2.524 20 0 DFADHO CN(C)CCC[N@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000573288372 429941108 /nfs/dbraw/zinc/94/11/08/429941108.db2.gz YFFMNLYHAFPNIU-GOSISDBHSA-N 1 3 306.450 2.628 20 0 DFADHO CN(C)CCC[N@@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000573288372 429941110 /nfs/dbraw/zinc/94/11/10/429941110.db2.gz YFFMNLYHAFPNIU-GOSISDBHSA-N 1 3 306.450 2.628 20 0 DFADHO FC(F)(F)COCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639681990 429944118 /nfs/dbraw/zinc/94/41/18/429944118.db2.gz DIFJBYLUFHGQSK-UHFFFAOYSA-N 1 3 317.355 2.563 20 0 DFADHO FC(F)(F)COCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639681990 429944120 /nfs/dbraw/zinc/94/41/20/429944120.db2.gz DIFJBYLUFHGQSK-UHFFFAOYSA-N 1 3 317.355 2.563 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCCN(c3ccncc3)CC2)C1 ZINC000639684150 429947193 /nfs/dbraw/zinc/94/71/93/429947193.db2.gz RYOBGHIDZOBCSC-HDICACEKSA-N 1 3 316.493 2.572 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCCN(c3ccncc3)CC2)C1 ZINC000639684150 429947196 /nfs/dbraw/zinc/94/71/96/429947196.db2.gz RYOBGHIDZOBCSC-HDICACEKSA-N 1 3 316.493 2.572 20 0 DFADHO c1ccc2c(c1)O[C@H](CNC1CC[NH+](C3CC3)CC1)CS2 ZINC000573369943 429948299 /nfs/dbraw/zinc/94/82/99/429948299.db2.gz QYQQAFKXQXFDRE-OAHLLOKOSA-N 1 3 304.459 2.756 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000574338984 430033248 /nfs/dbraw/zinc/03/32/48/430033248.db2.gz ISYZLQAWKRCIQV-QWHCGFSZSA-N 1 3 302.340 2.987 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccc(OC(F)(F)F)cc2)C1 ZINC000574338984 430033251 /nfs/dbraw/zinc/03/32/51/430033251.db2.gz ISYZLQAWKRCIQV-QWHCGFSZSA-N 1 3 302.340 2.987 20 0 DFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1csc(-c2ccccn2)n1 ZINC000574501433 430047048 /nfs/dbraw/zinc/04/70/48/430047048.db2.gz HSXCDAMCFXOHIT-ZAQWFSBCSA-N 1 3 314.458 2.811 20 0 DFADHO COc1cccc2c1CC[C@@H]([NH2+][C@H]1CCNCC(C)(C)C1)C2 ZINC000634733957 430092899 /nfs/dbraw/zinc/09/28/99/430092899.db2.gz SQHVGPPTBGDYHU-CVEARBPZSA-N 1 3 302.462 2.920 20 0 DFADHO COCC1(NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000560557743 430054455 /nfs/dbraw/zinc/05/44/55/430054455.db2.gz YFFLGDKIIGLFSK-FUHWJXTLSA-N 1 3 324.509 2.815 20 0 DFADHO COCC1([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000560557743 430054459 /nfs/dbraw/zinc/05/44/59/430054459.db2.gz YFFLGDKIIGLFSK-FUHWJXTLSA-N 1 3 324.509 2.815 20 0 DFADHO CCC1([NH+](C)C)CCN(CCN(C)Cc2ccccc2)CC1 ZINC000640016077 430055772 /nfs/dbraw/zinc/05/57/72/430055772.db2.gz SBZYZZGTMRFHPD-UHFFFAOYSA-N 1 3 303.494 2.925 20 0 DFADHO CCc1ccccc1[C@H](N)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000560966705 430071459 /nfs/dbraw/zinc/07/14/59/430071459.db2.gz LDRBDCRSXVJYLW-ZSYWTGECSA-N 1 3 301.478 2.759 20 0 DFADHO O=c1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)c[nH]1 ZINC000637906657 430166828 /nfs/dbraw/zinc/16/68/28/430166828.db2.gz WSSQYEHEEVQOJI-UHFFFAOYSA-N 1 3 303.450 2.875 20 0 DFADHO CC[NH+](CC)CC1CCN(Cc2c3c(nn2C)CCCC3)CC1 ZINC000637904270 430166973 /nfs/dbraw/zinc/16/69/73/430166973.db2.gz CRTASVOXWXCJCG-UHFFFAOYSA-N 1 3 318.509 2.853 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)C(C)C)CC2)CC1 ZINC000581079124 430176289 /nfs/dbraw/zinc/17/62/89/430176289.db2.gz BHHQIYTUFHNGFK-UHFFFAOYSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN(C)C[C@@H](C)C(C)(C)C)CC1 ZINC000640350657 430146501 /nfs/dbraw/zinc/14/65/01/430146501.db2.gz SDBRYTDIXODQAQ-OAHLLOKOSA-N 1 3 311.514 2.589 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN(C)C[C@H](C)C(C)(C)C)CC1 ZINC000640350656 430147215 /nfs/dbraw/zinc/14/72/15/430147215.db2.gz SDBRYTDIXODQAQ-HNNXBMFYSA-N 1 3 311.514 2.589 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000269066722 277001906 /nfs/dbraw/zinc/00/19/06/277001906.db2.gz ZACWZHRSNNRAJZ-INIZCTEOSA-N 1 3 317.477 2.677 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000370636161 277027994 /nfs/dbraw/zinc/02/79/94/277027994.db2.gz QRFMQEYCCSCUPP-VQIMIIECSA-N 1 3 317.452 2.571 20 0 DFADHO Nc1ccc(-c2cccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000634991391 430185450 /nfs/dbraw/zinc/18/54/50/430185450.db2.gz CCTBNAHATFNCDE-KFKAGJAMSA-N 1 3 322.456 2.890 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000314684194 277044181 /nfs/dbraw/zinc/04/41/81/277044181.db2.gz AMMLDWQWFGDERW-KGLIPLIRSA-N 1 3 308.388 2.640 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000314684194 277044183 /nfs/dbraw/zinc/04/41/83/277044183.db2.gz AMMLDWQWFGDERW-KGLIPLIRSA-N 1 3 308.388 2.640 20 0 DFADHO CN1CCCN(CCC[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000128503245 277051593 /nfs/dbraw/zinc/05/15/93/277051593.db2.gz UMIPXGSQKJVJCG-MRXNPFEDSA-N 1 3 307.507 2.743 20 0 DFADHO C[NH2+]CC1CCN(Cc2cccc(-c3ccc(N)cc3)n2)CC1 ZINC000634991196 430186050 /nfs/dbraw/zinc/18/60/50/430186050.db2.gz UBRGJMOEHYOOSV-UHFFFAOYSA-N 1 3 310.445 2.762 20 0 DFADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC[C@H](N)Cc2ccccc2)C12CCC2 ZINC000635007750 430194602 /nfs/dbraw/zinc/19/46/02/430194602.db2.gz PGCBFUGWLPISMX-BZZMCLGOSA-N 1 3 302.462 2.740 20 0 DFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc2c(c1)COC2 ZINC000635006388 430194651 /nfs/dbraw/zinc/19/46/51/430194651.db2.gz BLILAPUBEOXVNN-AWEZNQCLSA-N 1 3 324.428 2.695 20 0 DFADHO C[C@@H]1CN(Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000634998450 430189709 /nfs/dbraw/zinc/18/97/09/430189709.db2.gz FTIYNAFLXIAPIT-YPMHNXCESA-N 1 3 304.825 2.757 20 0 DFADHO CC(C)N1CCC[C@H](N(C)CCCC[NH+]2CCCCC2)C1=O ZINC000640532284 430191378 /nfs/dbraw/zinc/19/13/78/430191378.db2.gz CPBYFOMHKSJRSJ-KRWDZBQOSA-N 1 3 309.498 2.584 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000635001441 430191606 /nfs/dbraw/zinc/19/16/06/430191606.db2.gz SGKUKISOABKMMS-XVLPMQGWSA-N 1 3 321.262 2.947 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000635001441 430191609 /nfs/dbraw/zinc/19/16/09/430191609.db2.gz SGKUKISOABKMMS-XVLPMQGWSA-N 1 3 321.262 2.947 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635006800 430193648 /nfs/dbraw/zinc/19/36/48/430193648.db2.gz SYAHKANWQMJKGI-AKHZKOQFSA-N 1 3 321.262 2.804 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635006800 430193649 /nfs/dbraw/zinc/19/36/49/430193649.db2.gz SYAHKANWQMJKGI-AKHZKOQFSA-N 1 3 321.262 2.804 20 0 DFADHO Fc1cccc2c1CC[C@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007656 430193791 /nfs/dbraw/zinc/19/37/91/430193791.db2.gz FUZHAUPHZPJZIF-QGZVFWFLSA-N 1 3 312.392 2.730 20 0 DFADHO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(-n2ccnn2)c1 ZINC000635011803 430195437 /nfs/dbraw/zinc/19/54/37/430195437.db2.gz PFJJEUDCXMWERJ-ZBFHGGJFSA-N 1 3 313.449 2.696 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@@H]3CC[NH2+]CC[C@H]3C)C2)cc1 ZINC000635011528 430196290 /nfs/dbraw/zinc/19/62/90/430196290.db2.gz GCBZIFJJCQMJTK-NZSAHSFTSA-N 1 3 301.478 2.547 20 0 DFADHO N[C@@H](CC[NH2+]C1CCN(c2ccccn2)CC1)Cc1ccccc1 ZINC000635009942 430196565 /nfs/dbraw/zinc/19/65/65/430196565.db2.gz XPSDIQVVOHHNGF-SFHVURJKSA-N 1 3 324.472 2.600 20 0 DFADHO c1ccc(CN2CCCCC[C@@H](NC3CC[NH2+]CC3)C2)cc1 ZINC000635016489 430197915 /nfs/dbraw/zinc/19/79/15/430197915.db2.gz CCCKPUKSCCVHGM-LJQANCHMSA-N 1 3 301.478 2.773 20 0 DFADHO Cc1cc(N2CCC(N[C@@H](C)C[C@H]3CCCCC[NH2+]3)CC2)n[nH]1 ZINC000581304621 430198207 /nfs/dbraw/zinc/19/82/07/430198207.db2.gz RYSCIZXVMVPJKH-WMLDXEAASA-N 1 3 319.497 2.587 20 0 DFADHO COC[C@@H](C)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000375020253 277245276 /nfs/dbraw/zinc/24/52/76/277245276.db2.gz MQCAOYNKYLBSSN-ZBFHGGJFSA-N 1 3 304.434 2.599 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](CC)COC)CC1 ZINC000581441021 430210302 /nfs/dbraw/zinc/21/03/02/430210302.db2.gz ZGFLEICCAMVONV-SFHVURJKSA-N 1 3 319.493 2.733 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccccc2OC(F)(F)F)C1 ZINC000581439705 430210580 /nfs/dbraw/zinc/21/05/80/430210580.db2.gz FLDDFJDGXUSCHN-QWHCGFSZSA-N 1 3 302.340 2.987 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC000581439705 430210582 /nfs/dbraw/zinc/21/05/82/430210582.db2.gz FLDDFJDGXUSCHN-QWHCGFSZSA-N 1 3 302.340 2.987 20 0 DFADHO CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000638051802 430219049 /nfs/dbraw/zinc/21/90/49/430219049.db2.gz RJJBKGWZSPLYFM-HUUCEWRRSA-N 1 3 323.506 2.765 20 0 DFADHO CC(C)CC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000638052873 430221810 /nfs/dbraw/zinc/22/18/10/430221810.db2.gz BTDXPQFKUPXNMS-SFHVURJKSA-N 1 3 317.477 2.662 20 0 DFADHO CN(C)Cc1cccc(NC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC000635263987 430241742 /nfs/dbraw/zinc/24/17/42/430241742.db2.gz CVZIKZVQTYSJMR-UHFFFAOYSA-N 1 3 301.434 2.563 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000566230053 430250179 /nfs/dbraw/zinc/25/01/79/430250179.db2.gz CBLQQKLRPKKDFP-HNNXBMFYSA-N 1 3 311.429 2.961 20 0 DFADHO COC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000566230200 430250843 /nfs/dbraw/zinc/25/08/43/430250843.db2.gz QXGWIHQGVXBBGI-BHIYHBOVSA-N 1 3 304.478 2.941 20 0 DFADHO COC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000566230200 430250846 /nfs/dbraw/zinc/25/08/46/430250846.db2.gz QXGWIHQGVXBBGI-BHIYHBOVSA-N 1 3 304.478 2.941 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCNC[C@@H](C)C[NH+]1CCCC1 ZINC000581938578 430252052 /nfs/dbraw/zinc/25/20/52/430252052.db2.gz JXKHWLNGUMOMNR-CQSZACIVSA-N 1 3 321.440 2.784 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H](C)CN1CCCC1 ZINC000581938578 430252055 /nfs/dbraw/zinc/25/20/55/430252055.db2.gz JXKHWLNGUMOMNR-CQSZACIVSA-N 1 3 321.440 2.784 20 0 DFADHO CC(C)N1CCN(C2CC[NH+](CC3(C(C)C)CC3)CC2)CC1 ZINC000638151499 430252442 /nfs/dbraw/zinc/25/24/42/430252442.db2.gz DOYIZDFAKWHPNU-UHFFFAOYSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635326084 430256150 /nfs/dbraw/zinc/25/61/50/430256150.db2.gz UFRZUOCYGXLTBQ-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635326084 430256156 /nfs/dbraw/zinc/25/61/56/430256156.db2.gz UFRZUOCYGXLTBQ-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635425757 430275585 /nfs/dbraw/zinc/27/55/85/430275585.db2.gz OHGWVJXTVFOWAE-GOSISDBHSA-N 1 3 321.509 2.582 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635425757 430275588 /nfs/dbraw/zinc/27/55/88/430275588.db2.gz OHGWVJXTVFOWAE-GOSISDBHSA-N 1 3 321.509 2.582 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC000635426573 430276465 /nfs/dbraw/zinc/27/64/65/430276465.db2.gz WPLANKAGQKEILQ-UHFFFAOYSA-N 1 3 311.514 2.543 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC000635426573 430276468 /nfs/dbraw/zinc/27/64/68/430276468.db2.gz WPLANKAGQKEILQ-UHFFFAOYSA-N 1 3 311.514 2.543 20 0 DFADHO CC(C)CC[C@H](N)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000638112659 430240083 /nfs/dbraw/zinc/24/00/83/430240083.db2.gz JQMKDWKYZGSTTQ-KRWDZBQOSA-N 1 3 321.465 2.719 20 0 DFADHO Cn1ccnc1[C@@H](C1CC1)N1CCC(CCC[NH+](C)C)CC1 ZINC000638120732 430240610 /nfs/dbraw/zinc/24/06/10/430240610.db2.gz HIWZKNMJWMBTKN-QGZVFWFLSA-N 1 3 304.482 2.925 20 0 DFADHO CC[C@](C)(C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)OC ZINC000638273337 430290591 /nfs/dbraw/zinc/29/05/91/430290591.db2.gz HMKUWZWEAXTLRX-LJQANCHMSA-N 1 3 320.477 2.548 20 0 DFADHO [NH3+]CCC1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000582363967 430292146 /nfs/dbraw/zinc/29/21/46/430292146.db2.gz QCGIGSJQJHGBCT-UHFFFAOYSA-N 1 3 302.447 2.766 20 0 DFADHO CO[C@@]1(CNCc2ccc(C[NH+]3CCCCC3)cc2)CCOC1 ZINC000638313432 430302349 /nfs/dbraw/zinc/30/23/49/430302349.db2.gz WFVPFELGPJBSJS-LJQANCHMSA-N 1 3 318.461 2.568 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CC1(F)F ZINC000638367193 430319022 /nfs/dbraw/zinc/31/90/22/430319022.db2.gz MTTNQROJQREBCI-WMLDXEAASA-N 1 3 323.431 2.567 20 0 DFADHO CC(C)(C)O[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCCC2)C12CCC2 ZINC000638412349 430333682 /nfs/dbraw/zinc/33/36/82/430333682.db2.gz OETNEUMMQIKPJH-BRWVUGGUSA-N 1 3 324.509 2.549 20 0 DFADHO CCCN1CC[C@@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638409114 430333762 /nfs/dbraw/zinc/33/37/62/430333762.db2.gz JDRPFTQHXDEFNG-ROUUACIJSA-N 1 3 301.478 2.834 20 0 DFADHO COCC1(C[NH2+]Cc2ccccc2OCCN(C)C)CCC1 ZINC000638447548 430346530 /nfs/dbraw/zinc/34/65/30/430346530.db2.gz FFOULQBBXNFTJN-UHFFFAOYSA-N 1 3 306.450 2.533 20 0 DFADHO c1n[nH]c2c1CCC[C@@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000568380972 430353045 /nfs/dbraw/zinc/35/30/45/430353045.db2.gz WARXSIQCJPHVFT-FRQCXROJSA-N 1 3 324.428 2.633 20 0 DFADHO CC[C@@H]1CCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568412379 430357189 /nfs/dbraw/zinc/35/71/89/430357189.db2.gz SJOLVOVTXRUINI-QGZVFWFLSA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)C1(C[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)CC1 ZINC000638512532 430364005 /nfs/dbraw/zinc/36/40/05/430364005.db2.gz GVMQIMPBWCTAAP-UHFFFAOYSA-N 1 3 317.477 2.504 20 0 DFADHO c1ccc(CCN2CC[C@H](C[NH2+]CCC3CCOCC3)C2)cc1 ZINC000638522198 430366911 /nfs/dbraw/zinc/36/69/11/430366911.db2.gz YDUNZKULXLOBFB-HXUWFJFHSA-N 1 3 316.489 2.957 20 0 DFADHO CC[NH+]1CCC(CCNC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000583192663 430372461 /nfs/dbraw/zinc/37/24/61/430372461.db2.gz VYIDEIIJAVXQID-UHFFFAOYSA-N 1 3 316.449 2.533 20 0 DFADHO CCOCC[C@H](O)CNCc1ccccc1C[NH+]1CCCCC1 ZINC000583198906 430374299 /nfs/dbraw/zinc/37/42/99/430374299.db2.gz OYAQROLMEMJVAO-IBGZPJMESA-N 1 3 320.477 2.550 20 0 DFADHO [NH3+]C[C@H]1CC[C@H](CN[C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000583198118 430374682 /nfs/dbraw/zinc/37/46/82/430374682.db2.gz FXTXMYSZNSGUJS-BXWFABGCSA-N 1 3 310.445 2.921 20 0 DFADHO NCc1cccc2c1N(C(=O)CC[C@@H]([NH3+])c1ccccc1)CCC2 ZINC000638551782 430375148 /nfs/dbraw/zinc/37/51/48/430375148.db2.gz XOAYFUMIMBISTN-GOSISDBHSA-N 1 3 323.440 2.905 20 0 DFADHO COc1cc(CNCC2CC[NH+](CCC(C)C)CC2)sn1 ZINC000638723186 430417527 /nfs/dbraw/zinc/41/75/27/430417527.db2.gz ZNHDEYXTGLLYSB-UHFFFAOYSA-N 1 3 311.495 2.999 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000568646308 430379266 /nfs/dbraw/zinc/37/92/66/430379266.db2.gz DXOUFHNLGGWEPB-GDBMZVCRSA-N 1 3 323.431 2.789 20 0 DFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000568766796 430391901 /nfs/dbraw/zinc/39/19/01/430391901.db2.gz MVNPIRLRJVEFHF-NVXWUHKLSA-N 1 3 317.477 2.513 20 0 DFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000568766796 430391905 /nfs/dbraw/zinc/39/19/05/430391905.db2.gz MVNPIRLRJVEFHF-NVXWUHKLSA-N 1 3 317.477 2.513 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000186803717 277628974 /nfs/dbraw/zinc/62/89/74/277628974.db2.gz GQGNPCKNDMUMLB-ZTFGCOKTSA-N 1 3 306.450 2.581 20 0 DFADHO COCC[N@H+](C)CC[C@@H](NCC1(O)CCCC1)c1ccccc1 ZINC000583495346 430400678 /nfs/dbraw/zinc/40/06/78/430400678.db2.gz ZXLZBWUWZXKSNQ-GOSISDBHSA-N 1 3 320.477 2.591 20 0 DFADHO COCC[N@@H+](C)CC[C@@H](NCC1(O)CCCC1)c1ccccc1 ZINC000583495346 430400683 /nfs/dbraw/zinc/40/06/83/430400683.db2.gz ZXLZBWUWZXKSNQ-GOSISDBHSA-N 1 3 320.477 2.591 20 0 DFADHO CC[C@@H](N)C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000569217275 430433766 /nfs/dbraw/zinc/43/37/66/430433766.db2.gz BOGJPXNQIMTYES-DJIMGWMZSA-N 1 3 305.466 2.605 20 0 DFADHO C[C@H](O)C[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638796841 430436899 /nfs/dbraw/zinc/43/68/99/430436899.db2.gz MSNOCJZTECTOEX-QFBILLFUSA-N 1 3 304.478 2.895 20 0 DFADHO C[C@H](O)CNC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638796841 430436901 /nfs/dbraw/zinc/43/69/01/430436901.db2.gz MSNOCJZTECTOEX-QFBILLFUSA-N 1 3 304.478 2.895 20 0 DFADHO C[C@H](O)CNC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638796841 430436905 /nfs/dbraw/zinc/43/69/05/430436905.db2.gz MSNOCJZTECTOEX-QFBILLFUSA-N 1 3 304.478 2.895 20 0 DFADHO C[C@H]([N@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000548113907 430447457 /nfs/dbraw/zinc/44/74/57/430447457.db2.gz OJPJQCYENZDPIN-DOTOQJQBSA-N 1 3 319.493 2.772 20 0 DFADHO C[C@H]([N@@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000548113907 430447464 /nfs/dbraw/zinc/44/74/64/430447464.db2.gz OJPJQCYENZDPIN-DOTOQJQBSA-N 1 3 319.493 2.772 20 0 DFADHO COc1cc(C[NH2+]CC2CCN(c3ccncc3)CC2)sn1 ZINC000638836760 430450782 /nfs/dbraw/zinc/45/07/82/430450782.db2.gz KAYMVESDMGYHOF-UHFFFAOYSA-N 1 3 318.446 2.553 20 0 DFADHO C[C@H]([NH3+])CCC(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852286 430454948 /nfs/dbraw/zinc/45/49/48/430454948.db2.gz XBYUYBQOTOSBHD-FUHWJXTLSA-N 1 3 317.477 2.675 20 0 DFADHO C[C@@H]([NH3+])CCC(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852285 430455491 /nfs/dbraw/zinc/45/54/91/430455491.db2.gz XBYUYBQOTOSBHD-AEFFLSMTSA-N 1 3 317.477 2.675 20 0 DFADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2NCCCC2(C)C)CC1 ZINC000638862341 430459971 /nfs/dbraw/zinc/45/99/71/430459971.db2.gz SOBQNRJYUFKJLJ-INIZCTEOSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000358235095 277702070 /nfs/dbraw/zinc/70/20/70/277702070.db2.gz HZNYDTHLBBCAND-HUUCEWRRSA-N 1 3 305.466 2.936 20 0 DFADHO CCCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000584241721 430472121 /nfs/dbraw/zinc/47/21/21/430472121.db2.gz SNJVGUCJERZAGE-UHFFFAOYSA-N 1 3 323.525 2.830 20 0 DFADHO CC1(C)[C@H]([NH2+]CCOc2ccccc2Br)C[C@@H]1N ZINC000641802490 430476732 /nfs/dbraw/zinc/47/67/32/430476732.db2.gz LUFSADYWECOHGI-QWHCGFSZSA-N 1 3 313.239 2.543 20 0 DFADHO CCCc1nc(C)c(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)o1 ZINC000641798750 430477378 /nfs/dbraw/zinc/47/73/78/430477378.db2.gz HSTRTWZDVLNVIE-CVEARBPZSA-N 1 3 321.465 2.654 20 0 DFADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000641804175 430478404 /nfs/dbraw/zinc/47/84/04/430478404.db2.gz JACOAGGWQHDMKK-STQMWFEESA-N 1 3 313.804 2.523 20 0 DFADHO CC(C)[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC1CC1 ZINC000547786456 430421888 /nfs/dbraw/zinc/42/18/88/430421888.db2.gz OPVTZKOLPFTDEV-GOSISDBHSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC1CC1 ZINC000547786456 430421890 /nfs/dbraw/zinc/42/18/90/430421890.db2.gz OPVTZKOLPFTDEV-GOSISDBHSA-N 1 3 317.477 2.526 20 0 DFADHO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000638967196 430484069 /nfs/dbraw/zinc/48/40/69/430484069.db2.gz JXUKTBWXVIJSNS-RZDIXWSQSA-N 1 3 315.461 2.530 20 0 DFADHO COC[C@H](CN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)OC ZINC000638973159 430485455 /nfs/dbraw/zinc/48/54/55/430485455.db2.gz XZUMQGOZKFXJFT-NEWSRXKRSA-N 1 3 318.461 2.606 20 0 DFADHO COC[C@H](CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)OC ZINC000638973159 430485460 /nfs/dbraw/zinc/48/54/60/430485460.db2.gz XZUMQGOZKFXJFT-NEWSRXKRSA-N 1 3 318.461 2.606 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000638976489 430486214 /nfs/dbraw/zinc/48/62/14/430486214.db2.gz ISTPWMZDCHEGQE-WOUAJJJCSA-N 1 3 314.473 2.779 20 0 DFADHO Cc1ccc(CC[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)cc1 ZINC000638977565 430486564 /nfs/dbraw/zinc/48/65/64/430486564.db2.gz VAVCYHFUPNRKAM-NRFANRHFSA-N 1 3 324.468 2.894 20 0 DFADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCCc3sccc32)CC1 ZINC000639053580 430503797 /nfs/dbraw/zinc/50/37/97/430503797.db2.gz IXRKOWFINDNDCS-OAHLLOKOSA-N 1 3 308.491 2.950 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCCC2)c1 ZINC000570200306 430521485 /nfs/dbraw/zinc/52/14/85/430521485.db2.gz XKDQCDLFDCVEOP-OAHLLOKOSA-N 1 3 303.450 2.963 20 0 DFADHO C[C@@H]1CCCc2ccccc2[C@H]1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000570202044 430521861 /nfs/dbraw/zinc/52/18/61/430521861.db2.gz AZCXCNRBYFYLRA-LJHODMEESA-N 1 3 302.462 2.745 20 0 DFADHO C[C@@H]1CCCc2ccccc2[C@H]1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000570202044 430521865 /nfs/dbraw/zinc/52/18/65/430521865.db2.gz AZCXCNRBYFYLRA-LJHODMEESA-N 1 3 302.462 2.745 20 0 DFADHO C[C@@H]1C[C@H](Nc2cccc3c2OCC[C@H]3N(C)C)CC[N@@H+]1C ZINC000639114625 430530508 /nfs/dbraw/zinc/53/05/08/430530508.db2.gz GMEZFRCLRCFAJY-CKEIUWERSA-N 1 3 303.450 2.966 20 0 DFADHO C[C@@H]1C[C@H](Nc2cccc3c2OCC[C@H]3N(C)C)CC[N@H+]1C ZINC000639114625 430530511 /nfs/dbraw/zinc/53/05/11/430530511.db2.gz GMEZFRCLRCFAJY-CKEIUWERSA-N 1 3 303.450 2.966 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCC1)C1CCN(CC(F)(F)F)CC1 ZINC000551045069 430548371 /nfs/dbraw/zinc/54/83/71/430548371.db2.gz GKSJNDKPICSMKP-CQSZACIVSA-N 1 3 321.431 2.725 20 0 DFADHO CC(C)C[C@@H](CN1CCCC1)[NH2+]C1CCN(CC2CC2)CC1 ZINC000570516943 430550098 /nfs/dbraw/zinc/55/00/98/430550098.db2.gz MEZCIKQKGMFDNT-IBGZPJMESA-N 1 3 307.526 2.961 20 0 DFADHO COc1cncc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1C ZINC000639177328 430555001 /nfs/dbraw/zinc/55/50/01/430555001.db2.gz RUQLJRALFJVWJM-INIZCTEOSA-N 1 3 303.450 2.562 20 0 DFADHO C[C@H](NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000643453199 430602541 /nfs/dbraw/zinc/60/25/41/430602541.db2.gz ONYFTIIQGFRYTN-SOUVJXGZSA-N 1 3 307.869 2.754 20 0 DFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)[N@@H+]1CCC[C@H](C)C1 ZINC000570811513 430579420 /nfs/dbraw/zinc/57/94/20/430579420.db2.gz FTTJLGDQVREJFA-KBPBESRZSA-N 1 3 316.449 2.532 20 0 DFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)[N@H+]1CCC[C@H](C)C1 ZINC000570811513 430579426 /nfs/dbraw/zinc/57/94/26/430579426.db2.gz FTTJLGDQVREJFA-KBPBESRZSA-N 1 3 316.449 2.532 20 0 DFADHO C[C@@H](C[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)N(C)C ZINC000639233936 430581770 /nfs/dbraw/zinc/58/17/70/430581770.db2.gz YZRAWBIDCTYJJM-IEZWGBDMSA-N 1 3 301.478 2.894 20 0 DFADHO CO[C@](C)(C[NH2+]Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000643338932 430585818 /nfs/dbraw/zinc/58/58/18/430585818.db2.gz GNJGDQQOMOOVQD-GOSISDBHSA-N 1 3 306.450 2.532 20 0 DFADHO Cc1nc2ccccc2n1CCCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000643366957 430594206 /nfs/dbraw/zinc/59/42/06/430594206.db2.gz LTDBSSPPWIRZIV-IAGOWNOFSA-N 1 3 312.461 2.666 20 0 DFADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000550700405 430545484 /nfs/dbraw/zinc/54/54/84/430545484.db2.gz HVOUHJSGSMMBNQ-WMZOPIPTSA-N 1 3 302.462 2.948 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000554714546 430649825 /nfs/dbraw/zinc/64/98/25/430649825.db2.gz BYWKFWWZUNOURA-WQANXHIZSA-N 1 3 300.446 2.531 20 0 DFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885605 430654327 /nfs/dbraw/zinc/65/43/27/430654327.db2.gz CKAKBNQEKMTYGV-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885605 430654330 /nfs/dbraw/zinc/65/43/30/430654330.db2.gz CKAKBNQEKMTYGV-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885605 430654333 /nfs/dbraw/zinc/65/43/33/430654333.db2.gz CKAKBNQEKMTYGV-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885605 430654337 /nfs/dbraw/zinc/65/43/37/430654337.db2.gz CKAKBNQEKMTYGV-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885606 430654647 /nfs/dbraw/zinc/65/46/47/430654647.db2.gz CKAKBNQEKMTYGV-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885606 430654650 /nfs/dbraw/zinc/65/46/50/430654650.db2.gz CKAKBNQEKMTYGV-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885606 430654653 /nfs/dbraw/zinc/65/46/53/430654653.db2.gz CKAKBNQEKMTYGV-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885606 430654657 /nfs/dbraw/zinc/65/46/57/430654657.db2.gz CKAKBNQEKMTYGV-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000639518339 430660528 /nfs/dbraw/zinc/66/05/28/430660528.db2.gz FEGUCVLRAVRLLH-APWZRJJASA-N 1 3 300.446 2.675 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000639518339 430660530 /nfs/dbraw/zinc/66/05/30/430660530.db2.gz FEGUCVLRAVRLLH-APWZRJJASA-N 1 3 300.446 2.675 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000639518339 430660533 /nfs/dbraw/zinc/66/05/33/430660533.db2.gz FEGUCVLRAVRLLH-APWZRJJASA-N 1 3 300.446 2.675 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000639518339 430660537 /nfs/dbraw/zinc/66/05/37/430660537.db2.gz FEGUCVLRAVRLLH-APWZRJJASA-N 1 3 300.446 2.675 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)cc2)C1 ZINC000639307750 430604737 /nfs/dbraw/zinc/60/47/37/430604737.db2.gz GYADUEQSMVUVKS-IYWMVGAKSA-N 1 3 314.473 2.779 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000643463206 430604980 /nfs/dbraw/zinc/60/49/80/430604980.db2.gz KWUOUVZVCLWBAC-NJAFHUGGSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@H](NCCCc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000643469444 430605467 /nfs/dbraw/zinc/60/54/67/430605467.db2.gz WEVUGOSFPXMUKA-GXTWGEPZSA-N 1 3 311.267 2.969 20 0 DFADHO CC[C@H]([NH2+]C[C@H](O)COc1c(C)cccc1C)[C@@H]1CCCCN1 ZINC000643463869 430605654 /nfs/dbraw/zinc/60/56/54/430605654.db2.gz FWJRGKOURFQLJK-BZSNNMDCSA-N 1 3 320.477 2.553 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000643474437 430607015 /nfs/dbraw/zinc/60/70/15/430607015.db2.gz LVBDLPMLRXLVRO-ZUEVXXBESA-N 1 3 313.445 2.664 20 0 DFADHO COC[C@@H](NCC1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000643497178 430608856 /nfs/dbraw/zinc/60/88/56/430608856.db2.gz KNNWSUANFDGPNY-CQSZACIVSA-N 1 3 300.805 2.756 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC000553177851 430610805 /nfs/dbraw/zinc/61/08/05/430610805.db2.gz SODROYCBFTWMAN-SJLPKXTDSA-N 1 3 317.477 2.528 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000643512224 430611941 /nfs/dbraw/zinc/61/19/41/430611941.db2.gz CSJWEXVGIZSOGP-NYNFEOTOSA-N 1 3 313.445 2.536 20 0 DFADHO Fc1ccc(N2CCC([NH2+][C@@H]3CCCNCC3)CC2)c(F)c1 ZINC000643522568 430612512 /nfs/dbraw/zinc/61/25/12/430612512.db2.gz PMAXGEIWUVGMHU-CQSZACIVSA-N 1 3 309.404 2.665 20 0 DFADHO COc1cc([C@@H](C)N[C@@H]2CC23CC[NH2+]CC3)cc(OC)c1OC ZINC000643534054 430612806 /nfs/dbraw/zinc/61/28/06/430612806.db2.gz KIQWUQMWMYNKEJ-MLGOLLRUSA-N 1 3 320.433 2.505 20 0 DFADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643534936 430613380 /nfs/dbraw/zinc/61/33/80/430613380.db2.gz FZOUSULWRAGPKF-NVXWUHKLSA-N 1 3 302.418 2.641 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1ccccc1-n1ccnn1 ZINC000643547631 430615746 /nfs/dbraw/zinc/61/57/46/430615746.db2.gz IOHBHTRXLOKOBG-LSDHHAIUSA-N 1 3 311.433 2.593 20 0 DFADHO COc1ccc([C@H](OC)[C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000571431470 430627311 /nfs/dbraw/zinc/62/73/11/430627311.db2.gz JGKHBXUEMVEIOZ-KJGCVMFHSA-N 1 3 306.450 2.749 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)CNC1CC[NH+](C2CCC2)CC1 ZINC000572028538 430667939 /nfs/dbraw/zinc/66/79/39/430667939.db2.gz BYFUNOUUMYEXDM-BEFAXECRSA-N 1 3 302.462 2.758 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCc2cnc(SC3CCCC3)nc2)C1 ZINC000572257320 430678364 /nfs/dbraw/zinc/67/83/64/430678364.db2.gz MGQCKMCVLQGSFB-HUUCEWRRSA-N 1 3 320.506 2.913 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C1 ZINC000572257320 430678366 /nfs/dbraw/zinc/67/83/66/430678366.db2.gz MGQCKMCVLQGSFB-HUUCEWRRSA-N 1 3 320.506 2.913 20 0 DFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CN1C1CC1 ZINC000372967069 278022614 /nfs/dbraw/zinc/02/26/14/278022614.db2.gz SWWJDLFHQYTAHK-VKJFTORMSA-N 1 3 319.493 2.525 20 0 DFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CN1C1CC1 ZINC000372967069 278022615 /nfs/dbraw/zinc/02/26/15/278022615.db2.gz SWWJDLFHQYTAHK-VKJFTORMSA-N 1 3 319.493 2.525 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCN(C)CC2)c2ccccc21 ZINC000289102561 278025657 /nfs/dbraw/zinc/02/56/57/278025657.db2.gz CFYAMWIOEXRXSI-APWZRJJASA-N 1 3 301.478 2.852 20 0 DFADHO COCCNC1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000572411185 430686370 /nfs/dbraw/zinc/68/63/70/430686370.db2.gz GMRJXCSNPNSZRI-UHFFFAOYSA-N 1 3 306.450 2.546 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)C1CCCCC1 ZINC000556874961 430695189 /nfs/dbraw/zinc/69/51/89/430695189.db2.gz HRNARYJQZMABII-WJFTUGDTSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@@H](CC[NH2+][C@H]1CCN(C)[C@H](C)C1)N(C)Cc1ccccc1 ZINC000246985768 278233937 /nfs/dbraw/zinc/23/39/37/278233937.db2.gz JCHQXSFIESPDGQ-SCTDSRPQSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000186321380 278274685 /nfs/dbraw/zinc/27/46/85/278274685.db2.gz FSNRUUGKPDLDJO-JCHJZTRSSA-N 1 3 301.478 2.894 20 0 DFADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000186321380 278274686 /nfs/dbraw/zinc/27/46/86/278274686.db2.gz FSNRUUGKPDLDJO-JCHJZTRSSA-N 1 3 301.478 2.894 20 0 DFADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H](N)C1)c1ccc2c(c1)OCCO2 ZINC000572662483 430694217 /nfs/dbraw/zinc/69/42/17/430694217.db2.gz NSMAZHVIQNZDRL-HUUCEWRRSA-N 1 3 304.434 2.595 20 0 DFADHO CC(C)(CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000572662483 430694218 /nfs/dbraw/zinc/69/42/18/430694218.db2.gz NSMAZHVIQNZDRL-HUUCEWRRSA-N 1 3 304.434 2.595 20 0 DFADHO c1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCOCC3)C1)CNCC2 ZINC000572772746 430696992 /nfs/dbraw/zinc/69/69/92/430696992.db2.gz MTRFRRYYOFZBKM-GOSISDBHSA-N 1 3 300.446 2.581 20 0 DFADHO c1cc2c(cc1C[N@H+]1CC[C@@H](C3CCOCC3)C1)CNCC2 ZINC000572772746 430696993 /nfs/dbraw/zinc/69/69/93/430696993.db2.gz MTRFRRYYOFZBKM-GOSISDBHSA-N 1 3 300.446 2.581 20 0 DFADHO Cc1ccc2nccc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)c2c1 ZINC000664599205 430702901 /nfs/dbraw/zinc/70/29/01/430702901.db2.gz LOMKKSXOWQCHRC-MRXNPFEDSA-N 1 3 311.429 2.579 20 0 DFADHO Cc1ccc2nccc(N3CCC([N@H+]4CC[C@@H](O)C4)CC3)c2c1 ZINC000664599205 430702903 /nfs/dbraw/zinc/70/29/03/430702903.db2.gz LOMKKSXOWQCHRC-MRXNPFEDSA-N 1 3 311.429 2.579 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648419170 430781254 /nfs/dbraw/zinc/78/12/54/430781254.db2.gz ZZPNUMQBFRIHCB-HXUWFJFHSA-N 1 3 315.505 2.551 20 0 DFADHO c1nc(C2CC2)ncc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657814082 430743401 /nfs/dbraw/zinc/74/34/01/430743401.db2.gz HKMRSBWXAPZVDS-UHFFFAOYSA-N 1 3 300.450 2.566 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]4C3(C)C)C2)CC1 ZINC000657881961 430758982 /nfs/dbraw/zinc/75/89/82/430758982.db2.gz ZZRSVLVCBKCOSX-RANZSIQMSA-N 1 3 305.510 2.569 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCF)cc2)C1 ZINC000658134922 430821172 /nfs/dbraw/zinc/82/11/72/430821172.db2.gz CFNAYMITCUVYDN-GUDVDZBRSA-N 1 3 320.452 2.871 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)C1 ZINC000658137150 430823848 /nfs/dbraw/zinc/82/38/48/430823848.db2.gz JBPZBOJLFPTPRG-INDMIFKZSA-N 1 3 300.446 2.531 20 0 DFADHO CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCCN(C)C)CCO1 ZINC000648438096 430787339 /nfs/dbraw/zinc/78/73/39/430787339.db2.gz LECLSNOWTHCYTO-IRXDYDNUSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccccn1 ZINC000658067944 430797391 /nfs/dbraw/zinc/79/73/91/430797391.db2.gz SNNSMMLKSCYGJT-OAHLLOKOSA-N 1 3 303.450 2.623 20 0 DFADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)[C@@H]1CCOC1 ZINC000658074551 430800282 /nfs/dbraw/zinc/80/02/82/430800282.db2.gz UDCPYECLWKNKGN-QFHJOOASSA-N 1 3 324.509 2.671 20 0 DFADHO CO[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)[C@@H]1CCOC1 ZINC000658074551 430800286 /nfs/dbraw/zinc/80/02/86/430800286.db2.gz UDCPYECLWKNKGN-QFHJOOASSA-N 1 3 324.509 2.671 20 0 DFADHO C[NH+]1CCC(O)(CN[C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651720678 430857896 /nfs/dbraw/zinc/85/78/96/430857896.db2.gz HKWVEHMKUJBILB-ZDUSSCGKSA-N 1 3 312.816 2.513 20 0 DFADHO COc1ccc(C[C@@H](C)NCC2([NH3+])CCCC2)c(C)c1OC ZINC000665246390 430868070 /nfs/dbraw/zinc/86/80/70/430868070.db2.gz DEILKJBOCSZCQQ-CYBMUJFWSA-N 1 3 306.450 2.804 20 0 DFADHO CO[C@@H]1CCC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000665253832 430871033 /nfs/dbraw/zinc/87/10/33/430871033.db2.gz ANVGTNVSJSKLGW-BSDSXHPESA-N 1 3 306.425 2.818 20 0 DFADHO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@@H]1CCCOC1 ZINC000665254176 430871433 /nfs/dbraw/zinc/87/14/33/430871433.db2.gz JFYWGFUYEMOLGC-PAYONLEZSA-N 1 3 306.425 2.676 20 0 DFADHO CO[C@@H]1CCC[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000665257495 430872338 /nfs/dbraw/zinc/87/23/38/430872338.db2.gz LJRVHJAZJKTORM-BRSBDYLESA-N 1 3 306.425 2.818 20 0 DFADHO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCCOC1 ZINC000665257522 430872674 /nfs/dbraw/zinc/87/26/74/430872674.db2.gz LVWIQGNWNYWYOT-AETAKHFUSA-N 1 3 306.425 2.676 20 0 DFADHO CO[C@@H]1CCC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000665257496 430873355 /nfs/dbraw/zinc/87/33/55/430873355.db2.gz LJRVHJAZJKTORM-BSDSXHPESA-N 1 3 306.425 2.818 20 0 DFADHO Fc1ccc2c(c1)OC[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000665266692 430877194 /nfs/dbraw/zinc/87/71/94/430877194.db2.gz HXJLBKQDROITTA-QBPKDAKJSA-N 1 3 304.409 2.640 20 0 DFADHO CCCN1CC[C@H](N[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000665273908 430878501 /nfs/dbraw/zinc/87/85/01/430878501.db2.gz GNCYBXRQXVMJIZ-UHOSZYNNSA-N 1 3 317.477 2.562 20 0 DFADHO CNC(=O)CC1(CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CCCCC1 ZINC000665275515 430879532 /nfs/dbraw/zinc/87/95/32/430879532.db2.gz MFAAZKFKRCZRGC-IRXDYDNUSA-N 1 3 323.525 2.973 20 0 DFADHO COc1ccccc1-c1cc(CN[C@@H](C)CCCC[NH3+])on1 ZINC000665299188 430888226 /nfs/dbraw/zinc/88/82/26/430888226.db2.gz IERBSFVRZOIMAE-ZDUSSCGKSA-N 1 3 303.406 2.957 20 0 DFADHO c1cc(N2CCC([NH2+][C@H](C3CC3)C3CCOCC3)CC2)ccn1 ZINC000651930194 430916662 /nfs/dbraw/zinc/91/66/62/430916662.db2.gz KZVWTESGKZBIOU-LJQANCHMSA-N 1 3 315.461 2.845 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000655274174 430947485 /nfs/dbraw/zinc/94/74/85/430947485.db2.gz YOBHANDQAWDBSI-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO O[C@@H]1CCN(C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000662159332 430982763 /nfs/dbraw/zinc/98/27/63/430982763.db2.gz YCWCTIBCEFEJPH-LJQANCHMSA-N 1 3 310.441 2.871 20 0 DFADHO CCCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(C)C1 ZINC000648998206 430963648 /nfs/dbraw/zinc/96/36/48/430963648.db2.gz GVXMHIILXPPHDB-AEFFLSMTSA-N 1 3 321.509 2.584 20 0 DFADHO CCCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(C)C1 ZINC000648998206 430963652 /nfs/dbraw/zinc/96/36/52/430963652.db2.gz GVXMHIILXPPHDB-AEFFLSMTSA-N 1 3 321.509 2.584 20 0 DFADHO COc1cccc(SCCN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000662265203 431021951 /nfs/dbraw/zinc/02/19/51/431021951.db2.gz GIEXBMFOXASPQL-XKQJLSEDSA-N 1 3 306.475 2.847 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCc3nsc4ccccc43)C[C@H]21 ZINC000662266201 431024396 /nfs/dbraw/zinc/02/43/96/431024396.db2.gz KMNREYPYPVGZMG-NWANDNLSSA-N 1 3 301.459 2.898 20 0 DFADHO CO[C@@H](C[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000662270992 431028574 /nfs/dbraw/zinc/02/85/74/431028574.db2.gz DBPHGFUWTMLOET-QYZOEREBSA-N 1 3 302.462 2.866 20 0 DFADHO CO[C@@H](C[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000662270992 431028576 /nfs/dbraw/zinc/02/85/76/431028576.db2.gz DBPHGFUWTMLOET-QYZOEREBSA-N 1 3 302.462 2.866 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000655494841 431028901 /nfs/dbraw/zinc/02/89/01/431028901.db2.gz OQNPSIBNUDOSON-RDJZCZTQSA-N 1 3 317.477 2.655 20 0 DFADHO COc1ccc(COCCN2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000652354830 431029683 /nfs/dbraw/zinc/02/96/83/431029683.db2.gz JMRIXBMAMBBRLN-MAUKXSAKSA-N 1 3 306.450 2.661 20 0 DFADHO COCC[C@H]1CCCC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662281984 431033514 /nfs/dbraw/zinc/03/35/14/431033514.db2.gz NCOSQLDPDREZAB-MRXNPFEDSA-N 1 3 302.462 2.971 20 0 DFADHO COCC[C@H]1CCCC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662281984 431033517 /nfs/dbraw/zinc/03/35/17/431033517.db2.gz NCOSQLDPDREZAB-MRXNPFEDSA-N 1 3 302.462 2.971 20 0 DFADHO CC(C)N(C(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1)C(C)C ZINC000662291101 431035532 /nfs/dbraw/zinc/03/55/32/431035532.db2.gz PFCMPMQCQUTCCK-WMZOPIPTSA-N 1 3 323.525 2.732 20 0 DFADHO Fc1ccccc1C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662286962 431036063 /nfs/dbraw/zinc/03/60/63/431036063.db2.gz VFQGQVMPMJZWAH-SJORKVTESA-N 1 3 318.436 2.744 20 0 DFADHO Fc1ccccc1C[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662286962 431036067 /nfs/dbraw/zinc/03/60/67/431036067.db2.gz VFQGQVMPMJZWAH-SJORKVTESA-N 1 3 318.436 2.744 20 0 DFADHO C[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCc2ccc(Cl)cc21 ZINC000662286598 431036202 /nfs/dbraw/zinc/03/62/02/431036202.db2.gz RLKIWLGKIOAYKN-CJNGLKHVSA-N 1 3 320.864 2.823 20 0 DFADHO Fc1ccc(OCCN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290577 431036454 /nfs/dbraw/zinc/03/64/54/431036454.db2.gz WUGSWOORVDYMIN-MRXNPFEDSA-N 1 3 306.425 2.916 20 0 DFADHO COc1c(C)cnc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1C ZINC000662293382 431036533 /nfs/dbraw/zinc/03/65/33/431036533.db2.gz RHDYVKBJGCFBKE-KRWDZBQOSA-N 1 3 317.477 2.919 20 0 DFADHO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cccc3c2CCNC3)cn1 ZINC000662310263 431041465 /nfs/dbraw/zinc/04/14/65/431041465.db2.gz IYZHJSNXGXNIDD-UZLBHIALSA-N 1 3 324.472 2.567 20 0 DFADHO C[C@@H]1CCCN(Cc2nc(-c3ccoc3)no2)[C@@H]1CCC[NH3+] ZINC000662314881 431043667 /nfs/dbraw/zinc/04/36/67/431043667.db2.gz RSPCBOXUVKOLLW-TZMCWYRMSA-N 1 3 304.394 2.669 20 0 DFADHO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])[C@@H]1C ZINC000662313704 431044666 /nfs/dbraw/zinc/04/46/66/431044666.db2.gz XLRGHKPQPWXCKV-HSFUPAIVSA-N 1 3 323.525 2.767 20 0 DFADHO C[C@H](NC(=O)C(C)(C)[C@H](N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000649314634 431065492 /nfs/dbraw/zinc/06/54/92/431065492.db2.gz HPHVXTRRLMWYIP-WMLDXEAASA-N 1 3 317.477 2.559 20 0 DFADHO CN(Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249217 431013694 /nfs/dbraw/zinc/01/36/94/431013694.db2.gz JRQMBZPEBHYILF-LBPRGKRZSA-N 1 3 315.244 2.946 20 0 DFADHO C[C@@]1(c2ccccc2)CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662254792 431014922 /nfs/dbraw/zinc/01/49/22/431014922.db2.gz MBKOSIXPNLELHV-ZWKOTPCHSA-N 1 3 300.446 2.561 20 0 DFADHO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662254792 431014925 /nfs/dbraw/zinc/01/49/25/431014925.db2.gz MBKOSIXPNLELHV-ZWKOTPCHSA-N 1 3 300.446 2.561 20 0 DFADHO CN(Cc1cc(Cl)cc(Cl)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252172 431015099 /nfs/dbraw/zinc/01/50/99/431015099.db2.gz LOGJARHYMCFYOU-AWEZNQCLSA-N 1 3 315.244 2.946 20 0 DFADHO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662254053 431015515 /nfs/dbraw/zinc/01/55/15/431015515.db2.gz DPOPYCDNDXFQBY-XJKSGUPXSA-N 1 3 308.853 2.724 20 0 DFADHO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662254053 431015519 /nfs/dbraw/zinc/01/55/19/431015519.db2.gz DPOPYCDNDXFQBY-XJKSGUPXSA-N 1 3 308.853 2.724 20 0 DFADHO CC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@H](C)c1cccc(OC)c1 ZINC000662252133 431017356 /nfs/dbraw/zinc/01/73/56/431017356.db2.gz KJEXOBLPSDWTMM-PBHICJAKSA-N 1 3 304.434 2.599 20 0 DFADHO CC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@H](C)c1cccc(OC)c1 ZINC000662252133 431017358 /nfs/dbraw/zinc/01/73/58/431017358.db2.gz KJEXOBLPSDWTMM-PBHICJAKSA-N 1 3 304.434 2.599 20 0 DFADHO C[C@@H]1C[N@H+](C[C@H]2CCC3(CNC3)O2)CC[C@H]1c1ccccc1 ZINC000662257539 431018522 /nfs/dbraw/zinc/01/85/22/431018522.db2.gz POTRFTZIJIJPKU-KBAYOESNSA-N 1 3 300.446 2.633 20 0 DFADHO C[C@@H]1C[N@@H+](C[C@H]2CCC3(CNC3)O2)CC[C@H]1c1ccccc1 ZINC000662257539 431018528 /nfs/dbraw/zinc/01/85/28/431018528.db2.gz POTRFTZIJIJPKU-KBAYOESNSA-N 1 3 300.446 2.633 20 0 DFADHO Fc1ccc([C@@H]2CCCCN2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257084 431019185 /nfs/dbraw/zinc/01/91/85/431019185.db2.gz MRBNDYYPSLQNNR-SJORKVTESA-N 1 3 304.409 2.874 20 0 DFADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CS1 ZINC000655750983 431112222 /nfs/dbraw/zinc/11/22/22/431112222.db2.gz ILEPVSCJTNOKLH-JLSDUUJJSA-N 1 3 320.502 2.627 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)C[C@H]2NCc3ccccc32)c1 ZINC000662399234 431071056 /nfs/dbraw/zinc/07/10/56/431071056.db2.gz QFYYOFGBKPZKRI-GOSISDBHSA-N 1 3 309.413 2.969 20 0 DFADHO CC(C)NCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662417778 431076703 /nfs/dbraw/zinc/07/67/03/431076703.db2.gz VVBPOZRTAAVPRW-UHFFFAOYSA-N 1 3 303.450 2.999 20 0 DFADHO COCc1ccccc1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655690972 431084962 /nfs/dbraw/zinc/08/49/62/431084962.db2.gz AMSJWWPZVQLEJD-LJQANCHMSA-N 1 3 318.461 2.566 20 0 DFADHO Cc1cccc2nc(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cn21 ZINC000649418048 431096503 /nfs/dbraw/zinc/09/65/03/431096503.db2.gz XOULZRHSYLVDMQ-SJORKVTESA-N 1 3 312.461 2.854 20 0 DFADHO CC[C@H]([NH2+]C)C(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000662502195 431098866 /nfs/dbraw/zinc/09/88/66/431098866.db2.gz JQHISQILVNJGRO-JQHSSLGASA-N 1 3 317.477 2.668 20 0 DFADHO CC[C@H](NC)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000662509132 431101141 /nfs/dbraw/zinc/10/11/41/431101141.db2.gz BMZOSAYFYAISSK-SFHVURJKSA-N 1 3 317.477 2.898 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@H](C)SC2)C[C@@H](C)O1 ZINC000655729140 431102876 /nfs/dbraw/zinc/10/28/76/431102876.db2.gz GQQVRQYPRCYLFF-LVQVYYBASA-N 1 3 300.512 2.750 20 0 DFADHO Cc1nn(-c2ccc(C)cc2)cc1CNCC1CC[NH+](C)CC1 ZINC000655731661 431105553 /nfs/dbraw/zinc/10/55/53/431105553.db2.gz YIZLEMXOGBSTBU-UHFFFAOYSA-N 1 3 312.461 2.921 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662596932 431128717 /nfs/dbraw/zinc/12/87/17/431128717.db2.gz UEOKULBLAHQPEB-QZTJIDSGSA-N 1 3 321.509 2.522 20 0 DFADHO C[C@H]1CC[C@H](NCc2ccncc2OCCC[NH+](C)C)CS1 ZINC000655767908 431128073 /nfs/dbraw/zinc/12/80/73/431128073.db2.gz MXIGLMSWJSECQM-HOCLYGCPSA-N 1 3 323.506 2.786 20 0 DFADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000362624088 279131295 /nfs/dbraw/zinc/13/12/95/279131295.db2.gz QXUIGHBQFVFYSC-SJLPKXTDSA-N 1 3 323.525 2.876 20 0 DFADHO Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000655780455 431136693 /nfs/dbraw/zinc/13/66/93/431136693.db2.gz ZLXFMODRRNRBLP-BJZITVGISA-N 1 3 310.445 2.781 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000659867205 431162660 /nfs/dbraw/zinc/16/26/60/431162660.db2.gz VJZMUILVMRFFNR-IVDHNXQLSA-N 1 3 319.537 2.913 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000659867205 431162666 /nfs/dbraw/zinc/16/26/66/431162666.db2.gz VJZMUILVMRFFNR-IVDHNXQLSA-N 1 3 319.537 2.913 20 0 DFADHO C(N[C@@H]1CCC[C@H]2C[C@H]21)C1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)COC1 ZINC000646089408 431177847 /nfs/dbraw/zinc/17/78/47/431177847.db2.gz SFTOWHWANKLCTP-GQLSEVEHSA-N 1 3 304.478 2.559 20 0 DFADHO C(N[C@@H]1CCC[C@@H]2C[C@@H]21)C1(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)COC1 ZINC000646089408 431177850 /nfs/dbraw/zinc/17/78/50/431177850.db2.gz SFTOWHWANKLCTP-GQLSEVEHSA-N 1 3 304.478 2.559 20 0 DFADHO CC(C)CC[NH+]1CCC(CNC(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000662751099 431184121 /nfs/dbraw/zinc/18/41/21/431184121.db2.gz JFFURPATDDXCIG-UHFFFAOYSA-N 1 3 321.509 2.522 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2NCc3ccccc32)C[C@H]1C ZINC000662743831 431184659 /nfs/dbraw/zinc/18/46/59/431184659.db2.gz VMBYEZPQHHFKEV-HFTRVMKXSA-N 1 3 315.461 2.552 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2NCc3ccccc32)C[C@H]1C ZINC000662743831 431184669 /nfs/dbraw/zinc/18/46/69/431184669.db2.gz VMBYEZPQHHFKEV-HFTRVMKXSA-N 1 3 315.461 2.552 20 0 DFADHO CO[C@@H](C[NH+]1CCC(OCCN(C)C)CC1)C1CCCCC1 ZINC000659919464 431187369 /nfs/dbraw/zinc/18/73/69/431187369.db2.gz HSSPWBLJMAXSQQ-SFHVURJKSA-N 1 3 312.498 2.624 20 0 DFADHO CN1CCC[C@H](N2CC[NH+](C[C@@H]3CCCCC3(C)C)CC2)C1 ZINC000660074805 431257239 /nfs/dbraw/zinc/25/72/39/431257239.db2.gz QMAFGRSGJCZGEQ-ROUUACIJSA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2C2CCC2)CC1 ZINC000646138796 431204388 /nfs/dbraw/zinc/20/43/88/431204388.db2.gz WHOSZSKPFLFACT-GOSISDBHSA-N 1 3 321.509 2.630 20 0 DFADHO [NH3+][C@H](CCC(=O)N[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000662839010 431214539 /nfs/dbraw/zinc/21/45/39/431214539.db2.gz OJLLCCNOXGWLJZ-KZNAEPCWSA-N 1 3 315.461 2.600 20 0 DFADHO CN(CCN1CCCCC1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000652990916 431218502 /nfs/dbraw/zinc/21/85/02/431218502.db2.gz IQDDXOGLJZBSMX-UHFFFAOYSA-N 1 3 309.498 2.585 20 0 DFADHO CN(CCN1CCCCC1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000652990916 431218507 /nfs/dbraw/zinc/21/85/07/431218507.db2.gz IQDDXOGLJZBSMX-UHFFFAOYSA-N 1 3 309.498 2.585 20 0 DFADHO c1cnc2nc(C3CCN(C[C@H]4CCC[NH2+]C4)CC3)ccc2c1 ZINC000655947395 431227335 /nfs/dbraw/zinc/22/73/35/431227335.db2.gz SEEXPZCWWOJGQJ-HNNXBMFYSA-N 1 3 310.445 2.809 20 0 DFADHO CO[C@@H](CN1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000660002895 431229302 /nfs/dbraw/zinc/22/93/02/431229302.db2.gz BUVNBQRUQZYZQN-SFHVURJKSA-N 1 3 303.450 2.799 20 0 DFADHO C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@@H](N)c1ccccc1 ZINC000662890903 431230683 /nfs/dbraw/zinc/23/06/83/431230683.db2.gz QCRTYBQHZPAHNQ-JOCBIADPSA-N 1 3 317.477 2.689 20 0 DFADHO COC(C)(C)CN(C)CC1(C[N@H+](C)CC(C)(C)OC)CCC1 ZINC000660001902 431231390 /nfs/dbraw/zinc/23/13/90/431231390.db2.gz YQCBFYBOQXOOAE-UHFFFAOYSA-N 1 3 314.514 2.870 20 0 DFADHO COC(C)(C)CN(C)CC1(C[N@@H+](C)CC(C)(C)OC)CCC1 ZINC000660001902 431231396 /nfs/dbraw/zinc/23/13/96/431231396.db2.gz YQCBFYBOQXOOAE-UHFFFAOYSA-N 1 3 314.514 2.870 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663002307 431253841 /nfs/dbraw/zinc/25/38/41/431253841.db2.gz CYFQHXMGGAGLEA-ZWKOTPCHSA-N 1 3 321.509 2.522 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663002307 431253847 /nfs/dbraw/zinc/25/38/47/431253847.db2.gz CYFQHXMGGAGLEA-ZWKOTPCHSA-N 1 3 321.509 2.522 20 0 DFADHO CC(C)[C@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)CCCO1 ZINC000646299621 431256582 /nfs/dbraw/zinc/25/65/82/431256582.db2.gz BUOWESYVDTUHGS-LJQANCHMSA-N 1 3 320.477 2.874 20 0 DFADHO O[C@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000646297919 431256774 /nfs/dbraw/zinc/25/67/74/431256774.db2.gz KENYQDCAEAGCHN-SFHVURJKSA-N 1 3 318.461 2.508 20 0 DFADHO Cc1ccccc1C1(C[NH2+][C@H]2CCC[C@H](N)C2)CCOCC1 ZINC000656197403 431304184 /nfs/dbraw/zinc/30/41/84/431304184.db2.gz HDHOKNHYWIJRQP-IRXDYDNUSA-N 1 3 302.462 2.903 20 0 DFADHO CC[C@@H](NCc1cc(C2CC[NH2+]CC2)no1)[C@H]1CCCCO1 ZINC000656201262 431304387 /nfs/dbraw/zinc/30/43/87/431304387.db2.gz MQXPRQRGMKXYKR-NVXWUHKLSA-N 1 3 307.438 2.579 20 0 DFADHO C[C@H](Cc1ccccn1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656201475 431304469 /nfs/dbraw/zinc/30/44/69/431304469.db2.gz PTJDGYCFDCVHLN-XFQXTVEOSA-N 1 3 323.440 2.858 20 0 DFADHO CC[C@H](NCc1cc(C2CC[NH2+]CC2)no1)[C@@H]1CCCCO1 ZINC000656201263 431304529 /nfs/dbraw/zinc/30/45/29/431304529.db2.gz MQXPRQRGMKXYKR-RDJZCZTQSA-N 1 3 307.438 2.579 20 0 DFADHO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H](C)CCN1)C1CCCCC1 ZINC000653200973 431306582 /nfs/dbraw/zinc/30/65/82/431306582.db2.gz VVSRCQKZZUEXHA-WBVHZDCISA-N 1 3 309.498 2.535 20 0 DFADHO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H](C)CCN1)C1CCCCC1 ZINC000653200973 431306589 /nfs/dbraw/zinc/30/65/89/431306589.db2.gz VVSRCQKZZUEXHA-WBVHZDCISA-N 1 3 309.498 2.535 20 0 DFADHO [NH3+]Cc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000653130839 431275858 /nfs/dbraw/zinc/27/58/58/431275858.db2.gz CXUWQILFZVJEKY-CHWSQXEVSA-N 1 3 316.323 2.831 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)C[C@H](C)O1 ZINC000248547851 288153385 /nfs/dbraw/zinc/15/33/85/288153385.db2.gz GKHGVYZBVCBQIK-SOLBZPMBSA-N 1 3 324.509 2.765 20 0 DFADHO COc1ccccc1C[C@H](NC[C@H](O)C[N@H+](C)C(C)C)C(C)C ZINC000660257755 431346414 /nfs/dbraw/zinc/34/64/14/431346414.db2.gz WSSSPTZPBPRXCC-ROUUACIJSA-N 1 3 322.493 2.553 20 0 DFADHO COc1ccccc1C[C@H](NC[C@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000660257755 431346422 /nfs/dbraw/zinc/34/64/22/431346422.db2.gz WSSSPTZPBPRXCC-ROUUACIJSA-N 1 3 322.493 2.553 20 0 DFADHO CC1CC[NH+](CCCNCCC(=O)N(C)c2ccccc2)CC1 ZINC000663283500 431350198 /nfs/dbraw/zinc/35/01/98/431350198.db2.gz FQFNMMWDRPBYMN-UHFFFAOYSA-N 1 3 317.477 2.751 20 0 DFADHO CC1CCN(CCC[NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000663283500 431350206 /nfs/dbraw/zinc/35/02/06/431350206.db2.gz FQFNMMWDRPBYMN-UHFFFAOYSA-N 1 3 317.477 2.751 20 0 DFADHO CC(C)c1cccc(C[NH2+]C2CCN(CCN(C)C)CC2)c1 ZINC000663314498 431358771 /nfs/dbraw/zinc/35/87/71/431358771.db2.gz IQMJPOJXRWTYQD-UHFFFAOYSA-N 1 3 303.494 2.926 20 0 DFADHO Fc1cc(CN[C@@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000666951970 431420631 /nfs/dbraw/zinc/42/06/31/431420631.db2.gz AIHWWORVQNAQJC-CYBMUJFWSA-N 1 3 313.214 2.820 20 0 DFADHO COc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)c(OC(F)F)c1 ZINC000666952481 431422876 /nfs/dbraw/zinc/42/28/76/431422876.db2.gz YIPYWPAUBZNSPY-CQSZACIVSA-N 1 3 312.360 2.528 20 0 DFADHO Fc1cc(CN[C@@H]2CC23CC[NH2+]CC3)ccc1OC(F)F ZINC000666952411 431423125 /nfs/dbraw/zinc/42/31/25/431423125.db2.gz VMBJUJILBLKILF-CYBMUJFWSA-N 1 3 300.324 2.659 20 0 DFADHO c1ccc(COc2ccccc2CN[C@H]2CC23CC[NH2+]CC3)nc1 ZINC000666952218 431423326 /nfs/dbraw/zinc/42/33/26/431423326.db2.gz KSFVWRWPEAWZKJ-IBGZPJMESA-N 1 3 323.440 2.892 20 0 DFADHO Fc1ccc(CN[C@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000666952506 431423405 /nfs/dbraw/zinc/42/34/05/431423405.db2.gz YVNOMZWWJOWWBC-ZDUSSCGKSA-N 1 3 313.214 2.820 20 0 DFADHO CC[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000663369226 431390594 /nfs/dbraw/zinc/39/05/94/431390594.db2.gz ZESZMGJRWMQRDA-ROUUACIJSA-N 1 3 302.462 2.649 20 0 DFADHO CC(C)(C)[C@@H](N)c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455340 431391739 /nfs/dbraw/zinc/39/17/39/431391739.db2.gz DKFKHKZQFAHVOR-WBVHZDCISA-N 1 3 313.449 2.771 20 0 DFADHO CC(C)(C)[C@@H](N)c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455340 431391743 /nfs/dbraw/zinc/39/17/43/431391743.db2.gz DKFKHKZQFAHVOR-WBVHZDCISA-N 1 3 313.449 2.771 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995188 431437994 /nfs/dbraw/zinc/43/79/94/431437994.db2.gz FOWWSQSXLSZTLH-HZPDHXFCSA-N 1 3 315.461 2.976 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995188 431437998 /nfs/dbraw/zinc/43/79/98/431437998.db2.gz FOWWSQSXLSZTLH-HZPDHXFCSA-N 1 3 315.461 2.976 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NCC[C@@H]([NH3+])C(C)C)c1C ZINC000663502385 431446666 /nfs/dbraw/zinc/44/66/66/431446666.db2.gz HOYORYBVDLEIPQ-GDBMZVCRSA-N 1 3 305.466 2.984 20 0 DFADHO CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466566 431432152 /nfs/dbraw/zinc/43/21/52/431432152.db2.gz VOGKQFWNUUDEIT-ROUUACIJSA-N 1 3 304.482 2.619 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CN1CCN(CCC(C)(C)C2CC2)CC1 ZINC000653554400 431432795 /nfs/dbraw/zinc/43/27/95/431432795.db2.gz BGHKCSNWALXCEV-SFHVURJKSA-N 1 3 307.526 2.915 20 0 DFADHO C[N@H+]1CCCC[C@H]1CN1CCN(CCC(C)(C)C2CC2)CC1 ZINC000653554400 431432799 /nfs/dbraw/zinc/43/27/99/431432799.db2.gz BGHKCSNWALXCEV-SFHVURJKSA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466564 431433057 /nfs/dbraw/zinc/43/30/57/431433057.db2.gz VOGKQFWNUUDEIT-MSOLQXFVSA-N 1 3 304.482 2.619 20 0 DFADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C12CCC2 ZINC000663468555 431434426 /nfs/dbraw/zinc/43/44/26/431434426.db2.gz MBYYMOXIYHDUCV-VDHUWJSZSA-N 1 3 306.494 2.902 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(c3ccnc4ccccc43)C2)C1 ZINC000650298802 431516272 /nfs/dbraw/zinc/51/62/72/431516272.db2.gz ZQDRPOVFGIFQIJ-QMTMVMCOSA-N 1 3 311.429 2.958 20 0 DFADHO Cc1nn(C(C)C)cc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782407 431519972 /nfs/dbraw/zinc/51/99/72/431519972.db2.gz GAVFFRCMSQKRAC-QGZVFWFLSA-N 1 3 304.482 2.984 20 0 DFADHO CCN(C)c1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000656785449 431521869 /nfs/dbraw/zinc/52/18/69/431521869.db2.gz HSABSPFECUJCMS-GOSISDBHSA-N 1 3 316.493 2.749 20 0 DFADHO CCn1nc(C)c(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1C ZINC000656786780 431522096 /nfs/dbraw/zinc/52/20/96/431522096.db2.gz XNWTYHZGEJVBQP-QGZVFWFLSA-N 1 3 304.482 2.731 20 0 DFADHO Cc1cccc2ncc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)n21 ZINC000656785934 431522789 /nfs/dbraw/zinc/52/27/89/431522789.db2.gz NNDZLQZECPSWJD-KRWDZBQOSA-N 1 3 312.461 2.854 20 0 DFADHO Cc1cccn2c(CN3CCC([C@@H]4CCC[NH2+]C4)CC3)cnc12 ZINC000656785959 431522951 /nfs/dbraw/zinc/52/29/51/431522951.db2.gz OGLIXUPRTKOINE-QGZVFWFLSA-N 1 3 312.461 2.854 20 0 DFADHO Cn1cnc2cc(CN3CCC([C@@H]4CCC[NH2+]C4)CC3)ccc21 ZINC000656787302 431523383 /nfs/dbraw/zinc/52/33/83/431523383.db2.gz WWTUQGKILXOZGC-QGZVFWFLSA-N 1 3 312.461 2.785 20 0 DFADHO COc1ccc(C2CC[NH+](C[C@@H](O)CN(C)C(C)C)CC2)cc1 ZINC000656698739 431486178 /nfs/dbraw/zinc/48/61/78/431486178.db2.gz NWYVYKIRXZIEAH-SFHVURJKSA-N 1 3 320.477 2.576 20 0 DFADHO CC[C@H]([NH2+]CC(=O)NC1CCN(CC)CC1)C1CCCCC1 ZINC000663667570 431490690 /nfs/dbraw/zinc/49/06/90/431490690.db2.gz UWENDQGMQQPMJJ-KRWDZBQOSA-N 1 3 309.498 2.535 20 0 DFADHO CN1CCC(N2CCC([NH2+]C3CCC(F)(F)CC3)CC2)CC1 ZINC000647177126 431494100 /nfs/dbraw/zinc/49/41/00/431494100.db2.gz MDCBYNAWAVDJPB-UHFFFAOYSA-N 1 3 315.452 2.713 20 0 DFADHO CCn1cc([C@@H](C)[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cn1 ZINC000647343702 431559380 /nfs/dbraw/zinc/55/93/80/431559380.db2.gz AKLRLXDRLFWQRH-LZQZEXGQSA-N 1 3 312.461 2.899 20 0 DFADHO CC(C)C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccncc1 ZINC000647282735 431535891 /nfs/dbraw/zinc/53/58/91/431535891.db2.gz QFVKBCJWVRWTRR-LJQANCHMSA-N 1 3 318.509 2.786 20 0 DFADHO Cc1nccn1CCCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678438 431547065 /nfs/dbraw/zinc/54/70/65/431547065.db2.gz UPKUEYZBMKBBIQ-UHFFFAOYSA-N 1 3 312.461 2.836 20 0 DFADHO Cc1nccn1CCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660678438 431547072 /nfs/dbraw/zinc/54/70/72/431547072.db2.gz UPKUEYZBMKBBIQ-UHFFFAOYSA-N 1 3 312.461 2.836 20 0 DFADHO CCCNC(=O)CCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660678943 431548145 /nfs/dbraw/zinc/54/81/45/431548145.db2.gz HAEVYPRRIHNGNO-UHFFFAOYSA-N 1 3 317.477 2.547 20 0 DFADHO Cc1cccc2nc(CCNC3CC[NH+](CC4CC4)CC3)cn21 ZINC000647364498 431566192 /nfs/dbraw/zinc/56/61/92/431566192.db2.gz BKBFVMNFEAIZSP-UHFFFAOYSA-N 1 3 312.461 2.649 20 0 DFADHO COc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1F ZINC000650706417 431652629 /nfs/dbraw/zinc/65/26/29/431652629.db2.gz JXZFKOHXNWXECM-HDMKZQKVSA-N 1 3 322.424 2.553 20 0 DFADHO Cc1ccc(F)c(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650706667 431653046 /nfs/dbraw/zinc/65/30/46/431653046.db2.gz PYLWVXGCRBWWFC-LESCRADOSA-N 1 3 306.425 2.852 20 0 DFADHO Cc1cc(F)ccc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705915 431653818 /nfs/dbraw/zinc/65/38/18/431653818.db2.gz AFCZMQXJBMPISU-JQHSSLGASA-N 1 3 306.425 2.852 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000650708910 431656066 /nfs/dbraw/zinc/65/60/66/431656066.db2.gz USZJGLUVSFSBEW-HKUYNNGSSA-N 1 3 310.445 2.946 20 0 DFADHO Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000650708910 431656077 /nfs/dbraw/zinc/65/60/77/431656077.db2.gz USZJGLUVSFSBEW-HKUYNNGSSA-N 1 3 310.445 2.946 20 0 DFADHO Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000650708910 431656081 /nfs/dbraw/zinc/65/60/81/431656081.db2.gz USZJGLUVSFSBEW-HKUYNNGSSA-N 1 3 310.445 2.946 20 0 DFADHO CCO[C@@H]1C[N@@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C[C@H]1CN ZINC000650714321 431659438 /nfs/dbraw/zinc/65/94/38/431659438.db2.gz YPPCMSVVQJYNFP-QXCFHYIPSA-N 1 3 302.462 2.792 20 0 DFADHO CCO[C@@H]1C[N@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C[C@H]1CN ZINC000650714321 431659444 /nfs/dbraw/zinc/65/94/44/431659444.db2.gz YPPCMSVVQJYNFP-QXCFHYIPSA-N 1 3 302.462 2.792 20 0 DFADHO C[NH2+]CCC1CCN(Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000647509943 431611804 /nfs/dbraw/zinc/61/18/04/431611804.db2.gz FVSDPYXXEHYZSQ-UHFFFAOYSA-N 1 3 316.449 2.810 20 0 DFADHO Fc1ccc(COC2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000647518457 431613974 /nfs/dbraw/zinc/61/39/74/431613974.db2.gz KYHBEWNGIVCMMN-INIZCTEOSA-N 1 3 306.425 2.806 20 0 DFADHO Fc1ccc(COC2CC[NH+](C[C@H]3CCCNC3)CC2)cc1 ZINC000647518457 431613982 /nfs/dbraw/zinc/61/39/82/431613982.db2.gz KYHBEWNGIVCMMN-INIZCTEOSA-N 1 3 306.425 2.806 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(N)nc2)CC1 ZINC000647518085 431615009 /nfs/dbraw/zinc/61/50/09/431615009.db2.gz CWEYUDILSAEGEY-MRXNPFEDSA-N 1 3 316.493 2.971 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(N)nc2)CC1 ZINC000647518085 431615015 /nfs/dbraw/zinc/61/50/15/431615015.db2.gz CWEYUDILSAEGEY-MRXNPFEDSA-N 1 3 316.493 2.971 20 0 DFADHO COc1cccc(CC2CCN(C[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000647518673 431615355 /nfs/dbraw/zinc/61/53/55/431615355.db2.gz YRGBIRVXBROASX-LJQANCHMSA-N 1 3 302.462 2.949 20 0 DFADHO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H](c2ccccc2)C1(C)C ZINC000660840560 431622135 /nfs/dbraw/zinc/62/21/35/431622135.db2.gz YWUONDTXTNODTF-QZTJIDSGSA-N 1 3 304.478 2.956 20 0 DFADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@H](c2ccccc2)C1(C)C ZINC000660840560 431622137 /nfs/dbraw/zinc/62/21/37/431622137.db2.gz YWUONDTXTNODTF-QZTJIDSGSA-N 1 3 304.478 2.956 20 0 DFADHO COc1cccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1OC ZINC000647543228 431625434 /nfs/dbraw/zinc/62/54/34/431625434.db2.gz JRWOYECSDBXAGS-JKSUJKDBSA-N 1 3 318.461 2.915 20 0 DFADHO C[NH2+]Cc1ccccc1CN[C@H](C)CC(=O)N1CCCCCC1 ZINC000650719529 431661081 /nfs/dbraw/zinc/66/10/81/431661081.db2.gz SRJOLIPYWDXWIE-MRXNPFEDSA-N 1 3 317.477 2.677 20 0 DFADHO CC(C)n1ncc2cc(CN3CCC(CC[NH3+])CC3)cnc21 ZINC000650721217 431664719 /nfs/dbraw/zinc/66/47/19/431664719.db2.gz WMESDTDAXVFZKF-UHFFFAOYSA-N 1 3 301.438 2.573 20 0 DFADHO COc1ccccc1CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650721882 431664966 /nfs/dbraw/zinc/66/49/66/431664966.db2.gz FAHWYICYRCWSDP-NUJGCVRESA-N 1 3 304.434 2.556 20 0 DFADHO C[C@H](CNCc1ccnn1-c1ccncc1)[N@@H+]1CCCC[C@H]1C ZINC000657308957 431667283 /nfs/dbraw/zinc/66/72/83/431667283.db2.gz ZYJZCQPWFXTBPV-HZPDHXFCSA-N 1 3 313.449 2.620 20 0 DFADHO C[C@H](CNCc1ccnn1-c1ccncc1)[N@H+]1CCCC[C@H]1C ZINC000657308957 431667288 /nfs/dbraw/zinc/66/72/88/431667288.db2.gz ZYJZCQPWFXTBPV-HZPDHXFCSA-N 1 3 313.449 2.620 20 0 DFADHO C[C@H](C[NH2+]Cc1ccnn1-c1ccncc1)N1CCCC[C@H]1C ZINC000657308957 431667295 /nfs/dbraw/zinc/66/72/95/431667295.db2.gz ZYJZCQPWFXTBPV-HZPDHXFCSA-N 1 3 313.449 2.620 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCCc2c1ccc(=O)n2C ZINC000650724609 431667782 /nfs/dbraw/zinc/66/77/82/431667782.db2.gz JBZYSAGRRHWQPR-VYDXJSESSA-N 1 3 317.477 2.663 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2scnc2C2CC2)C1 ZINC000650725215 431668603 /nfs/dbraw/zinc/66/86/03/431668603.db2.gz VVILKLVHRLHUJR-RBSFLKMASA-N 1 3 321.490 2.881 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)NCc1ccc(C[NH3+])cc1F ZINC000650751852 431679004 /nfs/dbraw/zinc/67/90/04/431679004.db2.gz COYWCABOYCOGQI-CYBMUJFWSA-N 1 3 315.392 2.791 20 0 DFADHO Cn1c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc2cccc(Cl)c21 ZINC000647795388 431690304 /nfs/dbraw/zinc/69/03/04/431690304.db2.gz PLZBJVWSNJQSOX-RWMBFGLXSA-N 1 3 318.852 2.704 20 0 DFADHO Fc1cccc(N2CCCC2)c1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647797030 431691175 /nfs/dbraw/zinc/69/11/75/431691175.db2.gz VJKMNPGJDULWKY-OWCLPIDISA-N 1 3 317.452 2.904 20 0 DFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNCc1ccnn1-c1ccncc1 ZINC000657352530 431696434 /nfs/dbraw/zinc/69/64/34/431696434.db2.gz AIFMIQUTNJTYBR-HZPDHXFCSA-N 1 3 313.449 2.620 20 0 DFADHO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657352530 431696441 /nfs/dbraw/zinc/69/64/41/431696441.db2.gz AIFMIQUTNJTYBR-HZPDHXFCSA-N 1 3 313.449 2.620 20 0 DFADHO CC[NH+]1CCC(CCNCc2c(C3CCC3)cnn2C)CC1 ZINC000657375768 431711776 /nfs/dbraw/zinc/71/17/76/431711776.db2.gz DIWTWRXQAYCMMZ-UHFFFAOYSA-N 1 3 304.482 2.899 20 0 DFADHO O=C(CCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCC1CCCCC1 ZINC000647903452 431724467 /nfs/dbraw/zinc/72/44/67/431724467.db2.gz JKHRMFNMONCGAT-MSOLQXFVSA-N 1 3 321.509 2.537 20 0 DFADHO CC[C@H]1CN(CCC(=O)Nc2cccc(F)c2C)CC[C@@H]1[NH3+] ZINC000647936286 431737703 /nfs/dbraw/zinc/73/77/03/431737703.db2.gz AUWAIHCCACIWGY-ZFWWWQNUSA-N 1 3 307.413 2.522 20 0 DFADHO CC[C@H]1CN(CCC(=O)Nc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000647937434 431737946 /nfs/dbraw/zinc/73/79/46/431737946.db2.gz ZBWBEWDGWXNNBS-SWLSCSKDSA-N 1 3 309.841 2.728 20 0 DFADHO OC[C@H]([NH2+]Cc1cccc(CN2CCCCC2)c1)C1CCC1 ZINC000661154242 431752117 /nfs/dbraw/zinc/75/21/17/431752117.db2.gz OJDKBICTYNRVQJ-IBGZPJMESA-N 1 3 302.462 2.923 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000647964573 431755234 /nfs/dbraw/zinc/75/52/34/431755234.db2.gz PGMJDZLIJILYRE-WMLDXEAASA-N 1 3 312.885 2.904 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000647964573 431755238 /nfs/dbraw/zinc/75/52/38/431755238.db2.gz PGMJDZLIJILYRE-WMLDXEAASA-N 1 3 312.885 2.904 20 0 DFADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978280 431762956 /nfs/dbraw/zinc/76/29/56/431762956.db2.gz PIBJBXGVHOKFAM-BZSNNMDCSA-N 1 3 323.525 2.591 20 0 DFADHO CN(C)CCC[N@H+](C)CCNc1ncnc2cc(Cl)ccc21 ZINC000664247678 431715769 /nfs/dbraw/zinc/71/57/69/431715769.db2.gz QVEUYSNQRMFWBJ-UHFFFAOYSA-N 1 3 321.856 2.579 20 0 DFADHO CN(C)CCC[N@@H+](C)CCNc1ncnc2cc(Cl)ccc21 ZINC000664247678 431715777 /nfs/dbraw/zinc/71/57/77/431715777.db2.gz QVEUYSNQRMFWBJ-UHFFFAOYSA-N 1 3 321.856 2.579 20 0 DFADHO C[C@@H](CN1CCOC2(CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000648071940 431809424 /nfs/dbraw/zinc/80/94/24/431809424.db2.gz BLBBTCYXHARGFE-HNNXBMFYSA-N 1 3 306.425 2.726 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000657596773 431821993 /nfs/dbraw/zinc/82/19/93/431821993.db2.gz YRVKJPXTMHLJCT-LZQZEXGQSA-N 1 3 302.462 2.922 20 0 DFADHO Cc1ccc2c(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc(=O)oc2c1 ZINC000261910887 281046661 /nfs/dbraw/zinc/04/66/61/281046661.db2.gz QFLJIFQMOPOSLP-IAOVAPTHSA-N 1 3 312.413 2.661 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000356103465 282010604 /nfs/dbraw/zinc/01/06/04/282010604.db2.gz VEDZIPYRAAMDFB-CVEARBPZSA-N 1 3 319.493 2.790 20 0 DFADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000370638789 292680168 /nfs/dbraw/zinc/68/01/68/292680168.db2.gz ZHDXKWMPDVGZJV-DLBZAZTESA-N 1 3 301.478 2.814 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCCOC(C)(C)C ZINC000354729266 289331582 /nfs/dbraw/zinc/33/15/82/289331582.db2.gz ISIYFYBDEOZZNP-IXDOHACOSA-N 1 3 312.498 2.765 20 0 DFADHO C[C@H](N[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1ccc(NC(N)=O)cc1 ZINC000249309245 290031043 /nfs/dbraw/zinc/03/10/43/290031043.db2.gz KTWNSCDYSKBKOB-WFGGJUAMSA-N 1 3 304.438 2.557 20 0 DFADHO C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(NC(N)=O)cc1 ZINC000249309245 290031044 /nfs/dbraw/zinc/03/10/44/290031044.db2.gz KTWNSCDYSKBKOB-WFGGJUAMSA-N 1 3 304.438 2.557 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1cccc(OC(F)F)c1 ZINC000234751255 292805827 /nfs/dbraw/zinc/80/58/27/292805827.db2.gz BFVDGIHAESBAJN-DGCLKSJQSA-N 1 3 302.365 2.693 20 0 DFADHO CC(C)C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccn1 ZINC000154345326 295297552 /nfs/dbraw/zinc/29/75/52/295297552.db2.gz ZWOSWEQWXALVND-IBGZPJMESA-N 1 3 318.509 2.786 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000154369405 295298600 /nfs/dbraw/zinc/29/86/00/295298600.db2.gz VQPPFQYAASOUDM-QGZVFWFLSA-N 1 3 319.493 2.910 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000154403636 295299612 /nfs/dbraw/zinc/29/96/12/295299612.db2.gz SNSDWNZIPCNZEG-SFHVURJKSA-N 1 3 317.477 2.518 20 0 DFADHO Cc1ccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)c(C)c1 ZINC000154407942 295299721 /nfs/dbraw/zinc/29/97/21/295299721.db2.gz ZUQFPQSWZXGJKG-SFHVURJKSA-N 1 3 303.494 2.982 20 0 DFADHO CC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)cc1 ZINC000154422937 295300037 /nfs/dbraw/zinc/30/00/37/295300037.db2.gz ABQHPENJVDSNPO-GOSISDBHSA-N 1 3 307.457 2.894 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2c(C)noc2C)[C@H](C)C1 ZINC000155974766 295328742 /nfs/dbraw/zinc/32/87/42/295328742.db2.gz GABTYLNPFGUMNL-KDOFPFPSSA-N 1 3 323.481 2.561 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCc2c(C)noc2C)[C@H](C)C1 ZINC000155974766 295328743 /nfs/dbraw/zinc/32/87/43/295328743.db2.gz GABTYLNPFGUMNL-KDOFPFPSSA-N 1 3 323.481 2.561 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000158679739 295366251 /nfs/dbraw/zinc/36/62/51/295366251.db2.gz YTJKOPXHIRFGGH-BBWFWOEESA-N 1 3 311.514 2.591 20 0 DFADHO C[NH+](C)CC1CCN(CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495434814 299927634 /nfs/dbraw/zinc/92/76/34/299927634.db2.gz TVQIXORMPRLTTA-UHFFFAOYSA-N 1 3 313.486 2.563 20 0 DFADHO CCC[C@@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)N(C)C ZINC000161996776 295408692 /nfs/dbraw/zinc/40/86/92/295408692.db2.gz LKVNIRAOYMRLOZ-WBVHZDCISA-N 1 3 319.493 2.962 20 0 DFADHO CC(C)CC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1CC1 ZINC000374701985 295474414 /nfs/dbraw/zinc/47/44/14/295474414.db2.gz MWGBLJRRLBNSKX-MJGOQNOKSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)N1CCC(C)CC1 ZINC000438558079 297098667 /nfs/dbraw/zinc/09/86/67/297098667.db2.gz ZYALEAJCTZIWJX-SJLPKXTDSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)N1CCC(C)CC1 ZINC000438558079 297098669 /nfs/dbraw/zinc/09/86/69/297098669.db2.gz ZYALEAJCTZIWJX-SJLPKXTDSA-N 1 3 321.509 2.630 20 0 DFADHO CC[C@@H]1CCCCN1CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438569948 297099179 /nfs/dbraw/zinc/09/91/79/297099179.db2.gz UZGNSSXLOALYIR-SJLPKXTDSA-N 1 3 321.509 2.774 20 0 DFADHO CC[C@@H]1CCCCN1CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438569948 297099180 /nfs/dbraw/zinc/09/91/80/297099180.db2.gz UZGNSSXLOALYIR-SJLPKXTDSA-N 1 3 321.509 2.774 20 0 DFADHO CC(C)(CNC(=O)[C@@H]1CCCN1C1CCCC1)[NH+]1CCCCC1 ZINC000438578604 297099646 /nfs/dbraw/zinc/09/96/46/297099646.db2.gz YBYUWIFYULPPEA-KRWDZBQOSA-N 1 3 321.509 2.774 20 0 DFADHO CC1(C)CC(NC(=O)[C@@H]2CCCN2C2CCCC2)CC(C)(C)[NH2+]1 ZINC000440156088 297146212 /nfs/dbraw/zinc/14/62/12/297146212.db2.gz NWMVHVONQUZARV-INIZCTEOSA-N 1 3 321.509 2.819 20 0 DFADHO c1cc(CCN2CCC(C[NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000441183145 297174476 /nfs/dbraw/zinc/17/44/76/297174476.db2.gz VZLIECFMYJHTTD-UHFFFAOYSA-N 1 3 314.473 2.972 20 0 DFADHO CCCc1cccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000441371340 297181564 /nfs/dbraw/zinc/18/15/64/297181564.db2.gz KSVOJVBLTYATOI-UHFFFAOYSA-N 1 3 303.494 2.755 20 0 DFADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1cccc2ccccc21 ZINC000442750741 297204299 /nfs/dbraw/zinc/20/42/99/297204299.db2.gz BKMYLKATYPWJCE-GJZGRUSLSA-N 1 3 311.429 2.838 20 0 DFADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000442750741 297204303 /nfs/dbraw/zinc/20/43/03/297204303.db2.gz BKMYLKATYPWJCE-GJZGRUSLSA-N 1 3 311.429 2.838 20 0 DFADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000442750741 297204306 /nfs/dbraw/zinc/20/43/06/297204306.db2.gz BKMYLKATYPWJCE-GJZGRUSLSA-N 1 3 311.429 2.838 20 0 DFADHO COc1cccc(CN2CCC[C@H](CC[NH3+])C2)c1OC(F)F ZINC000442923923 297211084 /nfs/dbraw/zinc/21/10/84/297211084.db2.gz RIKZMOKLPRNZNC-GFCCVEGCSA-N 1 3 314.376 2.857 20 0 DFADHO CSc1cc2c(cc1CN1CCC[C@@H](CC[NH3+])C1)OCCO2 ZINC000442919373 297211209 /nfs/dbraw/zinc/21/12/09/297211209.db2.gz ITSRROVITQOHKO-ZDUSSCGKSA-N 1 3 322.474 2.741 20 0 DFADHO [NH3+]CC[C@@H]1CCCN(Cc2cnc(-c3ccncc3)s2)C1 ZINC000442918248 297211333 /nfs/dbraw/zinc/21/13/33/297211333.db2.gz GKZBLRRGMXYVBE-ZDUSSCGKSA-N 1 3 302.447 2.766 20 0 DFADHO CCc1ccc(NC(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443056536 297213570 /nfs/dbraw/zinc/21/35/70/297213570.db2.gz CWAFHYYLUJZBLR-GOEBONIOSA-N 1 3 303.450 2.637 20 0 DFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000443078668 297215603 /nfs/dbraw/zinc/21/56/03/297215603.db2.gz XIOYXOZKHMXSSC-HOTGVXAUSA-N 1 3 303.450 2.691 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000443086846 297215656 /nfs/dbraw/zinc/21/56/56/297215656.db2.gz HRGILBRZYVPQPI-KBXCAEBGSA-N 1 3 321.896 2.628 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000443086846 297215658 /nfs/dbraw/zinc/21/56/58/297215658.db2.gz HRGILBRZYVPQPI-KBXCAEBGSA-N 1 3 321.896 2.628 20 0 DFADHO CCOC1CC(O)(CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000446850382 297288729 /nfs/dbraw/zinc/28/87/29/297288729.db2.gz YPKOBHMBAXJYNL-XMZVIZOASA-N 1 3 324.509 2.549 20 0 DFADHO CCOC1CC(O)(C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000446850382 297288730 /nfs/dbraw/zinc/28/87/30/297288730.db2.gz YPKOBHMBAXJYNL-XMZVIZOASA-N 1 3 324.509 2.549 20 0 DFADHO C[C@H]([NH2+]CCOCCN(C)C)[C@H](C)c1nc2ccccc2s1 ZINC000447594094 297309976 /nfs/dbraw/zinc/30/99/76/297309976.db2.gz WWTQRXYVPHKUJW-KBPBESRZSA-N 1 3 321.490 2.956 20 0 DFADHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)N(CC)CC ZINC000448444909 297339869 /nfs/dbraw/zinc/33/98/69/297339869.db2.gz RJDDONNMLPKLTE-IAGOWNOFSA-N 1 3 311.514 2.591 20 0 DFADHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)N(CC)CC ZINC000448444909 297339870 /nfs/dbraw/zinc/33/98/70/297339870.db2.gz RJDDONNMLPKLTE-IAGOWNOFSA-N 1 3 311.514 2.591 20 0 DFADHO COc1cc(C)ccc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000449032207 297394193 /nfs/dbraw/zinc/39/41/93/297394193.db2.gz YPGUMUVAYZCROU-UHFFFAOYSA-N 1 3 306.450 2.546 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCCO2)CC1 ZINC000449064009 297399539 /nfs/dbraw/zinc/39/95/39/297399539.db2.gz OFOBPPJUQFTNSU-VQIMIIECSA-N 1 3 302.462 2.851 20 0 DFADHO CC1CCC(N2CCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])CC2)CC1 ZINC000449350783 297451412 /nfs/dbraw/zinc/45/14/12/297451412.db2.gz NIUHWJZTCNLOAD-JYSRZZCRSA-N 1 3 321.509 2.617 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@@H](C)Cc1cnccn1 ZINC000453142373 298066710 /nfs/dbraw/zinc/06/67/10/298066710.db2.gz ZERFHFWQNRJLJB-XYJFISCASA-N 1 3 304.482 2.898 20 0 DFADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453182902 298069303 /nfs/dbraw/zinc/06/93/03/298069303.db2.gz SURLJDLRURKOQO-OAHLLOKOSA-N 1 3 310.445 3.000 20 0 DFADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453182902 298069305 /nfs/dbraw/zinc/06/93/05/298069305.db2.gz SURLJDLRURKOQO-OAHLLOKOSA-N 1 3 310.445 3.000 20 0 DFADHO C[C@@H]([NH2+][C@H]1COCC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000453358119 298086744 /nfs/dbraw/zinc/08/67/44/298086744.db2.gz JUSYSXCDNDFUGH-PBHICJAKSA-N 1 3 306.450 2.703 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(OCCN(C)C)cc1 ZINC000453401794 298090414 /nfs/dbraw/zinc/09/04/14/298090414.db2.gz FCYKCPWVOBUVSK-VKJFTORMSA-N 1 3 306.450 2.845 20 0 DFADHO CCC[NH+]1CCC(N[C@H](CO)Cc2ccc(C)c(C)c2)CC1 ZINC000453419628 298092819 /nfs/dbraw/zinc/09/28/19/298092819.db2.gz DCUTZFABYSPOPX-IBGZPJMESA-N 1 3 304.478 2.671 20 0 DFADHO CCC[NH+]1CCC(N[C@@H](CO)Cc2ccc(C)c(C)c2)CC1 ZINC000453419631 298092831 /nfs/dbraw/zinc/09/28/31/298092831.db2.gz DCUTZFABYSPOPX-LJQANCHMSA-N 1 3 304.478 2.671 20 0 DFADHO Cc1cc(NC(=O)[C@@H](C2CC2)N2CCCC2)ccc1C[NH+](C)C ZINC000458274965 298897498 /nfs/dbraw/zinc/89/74/98/298897498.db2.gz XZKJVDYXUXJSMT-GOSISDBHSA-N 1 3 315.461 2.870 20 0 DFADHO COC(=O)Nc1ccc(CCN[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000496135394 300020074 /nfs/dbraw/zinc/02/00/74/300020074.db2.gz VVVZYKXEUHHVFY-CVEARBPZSA-N 1 3 305.422 2.657 20 0 DFADHO CN1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000514614768 300262850 /nfs/dbraw/zinc/26/28/50/300262850.db2.gz JULHCAFRHFQNAS-RMHZUWNSSA-N 1 3 309.404 2.570 20 0 DFADHO C/C=C/c1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000514961045 300282021 /nfs/dbraw/zinc/28/20/21/300282021.db2.gz DCXIWKGXUIVBDB-VOTSOKGWSA-N 1 3 318.465 2.677 20 0 DFADHO C[C@@H]([NH2+]CCc1ccccc1Br)[C@@H]1CCCNC1 ZINC000515053314 300287140 /nfs/dbraw/zinc/28/71/40/300287140.db2.gz MXUHBPQAOQQNBN-TZMCWYRMSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H](NCCc1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000515053314 300287142 /nfs/dbraw/zinc/28/71/42/300287142.db2.gz MXUHBPQAOQQNBN-TZMCWYRMSA-N 1 3 311.267 2.969 20 0 DFADHO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)CNC3)c1 ZINC000515219710 300295940 /nfs/dbraw/zinc/29/59/40/300295940.db2.gz GJFFEBBYVFVIEB-UHFFFAOYSA-N 1 3 324.428 2.673 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@H]2CCCNC2)cc1OC ZINC000516861231 300364051 /nfs/dbraw/zinc/36/40/51/300364051.db2.gz CKOJNTZZFKLCLG-UXLLHSPISA-N 1 3 320.477 2.860 20 0 DFADHO Cn1cncc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000517010015 300376515 /nfs/dbraw/zinc/37/65/15/300376515.db2.gz XNIPPJLVIGTPIM-LDLYASANSA-N 1 3 324.472 2.748 20 0 DFADHO Cn1cncc1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000517010015 300376518 /nfs/dbraw/zinc/37/65/18/300376518.db2.gz XNIPPJLVIGTPIM-LDLYASANSA-N 1 3 324.472 2.748 20 0 DFADHO Cn1cncc1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000517010015 300376519 /nfs/dbraw/zinc/37/65/19/300376519.db2.gz XNIPPJLVIGTPIM-LDLYASANSA-N 1 3 324.472 2.748 20 0 DFADHO CCOC[C@H](O)CNCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000517025137 300377877 /nfs/dbraw/zinc/37/78/77/300377877.db2.gz UFBYOCGABZRCPW-QFBILLFUSA-N 1 3 320.477 2.548 20 0 DFADHO CCOC[C@H](O)CNCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000517025137 300377879 /nfs/dbraw/zinc/37/78/79/300377879.db2.gz UFBYOCGABZRCPW-QFBILLFUSA-N 1 3 320.477 2.548 20 0 DFADHO CC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(F)c1 ZINC000527099076 300637799 /nfs/dbraw/zinc/63/77/99/300637799.db2.gz CKKYNQJWMZEFLF-GOSISDBHSA-N 1 3 307.457 2.894 20 0 DFADHO CCc1noc(C2CCC([NH2+][C@H]3CCNC34CCC4)CC2)n1 ZINC000530178823 301026079 /nfs/dbraw/zinc/02/60/79/301026079.db2.gz OGXWVCNRUMBXJL-RUXDESIVSA-N 1 3 304.438 2.532 20 0 DFADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc2cn(C)nc2c1 ZINC000530216689 301030461 /nfs/dbraw/zinc/03/04/61/301030461.db2.gz CEDIALKKYSFCLS-GFCCVEGCSA-N 1 3 309.417 2.586 20 0 DFADHO CCOc1cccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530248370 301033787 /nfs/dbraw/zinc/03/37/87/301033787.db2.gz KDPRYYZGGFZWEA-LJQANCHMSA-N 1 3 318.461 2.676 20 0 DFADHO CN1CCC2(CCC[N@@H+]2Cc2cccc(-n3cccn3)c2)CC1 ZINC000530464369 301049779 /nfs/dbraw/zinc/04/97/79/301049779.db2.gz KSAZJVHSWSTJPE-UHFFFAOYSA-N 1 3 310.445 2.933 20 0 DFADHO CN1CCC2(CCC[N@H+]2Cc2cccc(-n3cccn3)c2)CC1 ZINC000530464369 301049781 /nfs/dbraw/zinc/04/97/81/301049781.db2.gz KSAZJVHSWSTJPE-UHFFFAOYSA-N 1 3 310.445 2.933 20 0 DFADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531701619 301104565 /nfs/dbraw/zinc/10/45/65/301104565.db2.gz AMEZCBIBKPHRQJ-HUUCEWRRSA-N 1 3 315.461 2.954 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531954932 301121021 /nfs/dbraw/zinc/12/10/21/301121021.db2.gz IKVLAAYNQNNNFF-KBPBESRZSA-N 1 3 301.434 2.564 20 0 DFADHO C[C@@H]1CCN(CCNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000531984233 301123228 /nfs/dbraw/zinc/12/32/28/301123228.db2.gz POAXBUUFVAYHEZ-AOIWGVFYSA-N 1 3 307.526 2.961 20 0 DFADHO OC1CC[NH+](CCCN[C@H]2CCc3c2cccc3Cl)CC1 ZINC000532208295 301136369 /nfs/dbraw/zinc/13/63/69/301136369.db2.gz FYSLQHJUHMHHLQ-KRWDZBQOSA-N 1 3 308.853 2.764 20 0 DFADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532214721 301136965 /nfs/dbraw/zinc/13/69/65/301136965.db2.gz DHFXCCDUOAWVNI-NFOMZHRRSA-N 1 3 322.415 2.932 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532530340 301158703 /nfs/dbraw/zinc/15/87/03/301158703.db2.gz ZUWBARDDLOBCBO-KBPBESRZSA-N 1 3 323.868 2.989 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NCC[N@H+]1CC[C@H](C)C1 ZINC000532530340 301158704 /nfs/dbraw/zinc/15/87/04/301158704.db2.gz ZUWBARDDLOBCBO-KBPBESRZSA-N 1 3 323.868 2.989 20 0 DFADHO Cc1cc(C)c2c(c1)[C@H](NCCOCC[NH+](C)C)CCCO2 ZINC000351504112 301212223 /nfs/dbraw/zinc/21/22/23/301212223.db2.gz UNENZRRJGFWAIS-QGZVFWFLSA-N 1 3 306.450 2.685 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(Cc2cnn3ccccc23)CC1 ZINC000534347184 301230569 /nfs/dbraw/zinc/23/05/69/301230569.db2.gz SZFCDLCCJATOGM-UHFFFAOYSA-N 1 3 300.450 2.887 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(Cc2cnn3ccccc23)CC1 ZINC000534347184 301230572 /nfs/dbraw/zinc/23/05/72/301230572.db2.gz SZFCDLCCJATOGM-UHFFFAOYSA-N 1 3 300.450 2.887 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000563424714 302071012 /nfs/dbraw/zinc/07/10/12/302071012.db2.gz LMBAGNKOSCEUGM-ZWKOTPCHSA-N 1 3 315.461 2.672 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(C)(C)O)C2)s1 ZINC000563889099 302106472 /nfs/dbraw/zinc/10/64/72/302106472.db2.gz GEAWEIOJTKCNCD-OAHLLOKOSA-N 1 3 310.507 2.971 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(C)(C)O)C2)s1 ZINC000563889099 302106473 /nfs/dbraw/zinc/10/64/73/302106473.db2.gz GEAWEIOJTKCNCD-OAHLLOKOSA-N 1 3 310.507 2.971 20 0 DFADHO Cc1c([C@H](C)NCC[C@@H]2CC[NH2+]C2)nnn1-c1ccc(C)cc1 ZINC000564821889 302161291 /nfs/dbraw/zinc/16/12/91/302161291.db2.gz ABIZQJDFENBSSI-HOCLYGCPSA-N 1 3 313.449 2.534 20 0 DFADHO C[C@@H](CC[NH+](C)C)NC[C@H](O)Cc1ccccc1C(F)(F)F ZINC000564855755 302165213 /nfs/dbraw/zinc/16/52/13/302165213.db2.gz HGAKGZHMQWAIQS-GXTWGEPZSA-N 1 3 318.383 2.539 20 0 DFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000564941151 302175961 /nfs/dbraw/zinc/17/59/61/302175961.db2.gz ALTGAYDKZANBQW-ROUUACIJSA-N 1 3 317.477 2.800 20 0 DFADHO C[C@H](NC[C@@H](c1ccc(Cl)cc1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000566089478 302258337 /nfs/dbraw/zinc/25/83/37/302258337.db2.gz BBSLXHBMROAYCR-QRTARXTBSA-N 1 3 309.885 2.920 20 0 DFADHO C[C@H](CNCCC(=O)Nc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000566107637 302260024 /nfs/dbraw/zinc/26/00/24/302260024.db2.gz OVXOTQUUZZRBQX-CQSZACIVSA-N 1 3 323.868 2.990 20 0 DFADHO C[C@H](C[NH2+]CCC(=O)Nc1ccc(Cl)cc1)CN1CCCC1 ZINC000566107637 302260025 /nfs/dbraw/zinc/26/00/25/302260025.db2.gz OVXOTQUUZZRBQX-CQSZACIVSA-N 1 3 323.868 2.990 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000566294470 302276094 /nfs/dbraw/zinc/27/60/94/302276094.db2.gz DDNYHRYQDZRNLZ-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000566294470 302276096 /nfs/dbraw/zinc/27/60/96/302276096.db2.gz DDNYHRYQDZRNLZ-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO c1cc2c(cc1CN1CCC(OCC3CC3)CC1)C[NH2+]CC2 ZINC000566351890 302281546 /nfs/dbraw/zinc/28/15/46/302281546.db2.gz JNSOZNYCYLXUMN-UHFFFAOYSA-N 1 3 300.446 2.723 20 0 DFADHO Cc1ncc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1C ZINC000566926756 302323383 /nfs/dbraw/zinc/32/33/83/302323383.db2.gz PCZVCEPHQQCPMB-WMLDXEAASA-N 1 3 318.490 2.963 20 0 DFADHO Cc1ncc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1C ZINC000566926756 302323386 /nfs/dbraw/zinc/32/33/86/302323386.db2.gz PCZVCEPHQQCPMB-WMLDXEAASA-N 1 3 318.490 2.963 20 0 DFADHO Cc1ncc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)n1C ZINC000566926756 302323388 /nfs/dbraw/zinc/32/33/88/302323388.db2.gz PCZVCEPHQQCPMB-WMLDXEAASA-N 1 3 318.490 2.963 20 0 DFADHO CCC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(Cl)c2)C1 ZINC000567378218 302355153 /nfs/dbraw/zinc/35/51/53/302355153.db2.gz TVIODIZEEYVWEX-AWEZNQCLSA-N 1 3 323.868 2.990 20 0 DFADHO CCC[N@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(Cl)c2)C1 ZINC000567378218 302355154 /nfs/dbraw/zinc/35/51/54/302355154.db2.gz TVIODIZEEYVWEX-AWEZNQCLSA-N 1 3 323.868 2.990 20 0 DFADHO CCCN1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000567378218 302355157 /nfs/dbraw/zinc/35/51/57/302355157.db2.gz TVIODIZEEYVWEX-AWEZNQCLSA-N 1 3 323.868 2.990 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)[C@H]1CCCNC1 ZINC000567639987 302375273 /nfs/dbraw/zinc/37/52/73/302375273.db2.gz UALRPBPGIXNUEM-KSZLIROESA-N 1 3 301.478 2.881 20 0 DFADHO C[NH+](C)CCOc1ccccc1N1CCN(CC2(C)CC2)CC1 ZINC000572986084 302687640 /nfs/dbraw/zinc/68/76/40/302687640.db2.gz GPSXOJONPKJOEM-UHFFFAOYSA-N 1 3 317.477 2.549 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000573776929 302722306 /nfs/dbraw/zinc/72/23/06/302722306.db2.gz CQMFDTDVFNVAPY-JKSUJKDBSA-N 1 3 313.555 2.524 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCCNC1 ZINC000573792993 302723559 /nfs/dbraw/zinc/72/35/59/302723559.db2.gz CRFKLUOEWKIQLB-HRCADAONSA-N 1 3 305.441 2.630 20 0 DFADHO CC[C@H](C[C@@H](C)CC)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000574215040 302747216 /nfs/dbraw/zinc/74/72/16/302747216.db2.gz VTUYJSWKSCABDL-DLBZAZTESA-N 1 3 311.514 2.783 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc2c(c1)CCC2 ZINC000180958561 316047448 /nfs/dbraw/zinc/04/74/48/316047448.db2.gz QSKOGDJTPDUMMY-UHFFFAOYSA-N 1 3 315.505 2.633 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc2c(c1)CCC2 ZINC000180958561 316047449 /nfs/dbraw/zinc/04/74/49/316047449.db2.gz QSKOGDJTPDUMMY-UHFFFAOYSA-N 1 3 315.505 2.633 20 0 DFADHO C[C@@H](CCNC(=O)[C@H](C)N1CCCCCC1)[NH+]1CCCCC1 ZINC000182224276 316091169 /nfs/dbraw/zinc/09/11/69/316091169.db2.gz GVQJBTSHOKOWFW-IRXDYDNUSA-N 1 3 309.498 2.632 20 0 DFADHO CC[C@@H]1CCC[C@H](C[NH+]2CCC(C(=O)NCCN(C)C)CC2)C1 ZINC000183021853 316127253 /nfs/dbraw/zinc/12/72/53/316127253.db2.gz XLDBMEDLNSYSQZ-SJORKVTESA-N 1 3 323.525 2.593 20 0 DFADHO CCOC(=O)CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185709970 316191171 /nfs/dbraw/zinc/19/11/71/316191171.db2.gz SMIHGHZGYSKGHJ-JKSUJKDBSA-N 1 3 310.482 2.962 20 0 DFADHO Cc1cc(C)c([C@H](C)N2CCN([C@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000319119805 316250593 /nfs/dbraw/zinc/25/05/93/316250593.db2.gz UOAABROFKIGCDL-ROUUACIJSA-N 1 3 301.478 2.652 20 0 DFADHO Cc1ccc([C@H](C)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)c1 ZINC000346104208 316318025 /nfs/dbraw/zinc/31/80/25/316318025.db2.gz QJBZLNYGZYMPEQ-DLBZAZTESA-N 1 3 317.477 2.541 20 0 DFADHO Cc1ccc([C@H](C)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(C)c1 ZINC000346104208 316318029 /nfs/dbraw/zinc/31/80/29/316318029.db2.gz QJBZLNYGZYMPEQ-DLBZAZTESA-N 1 3 317.477 2.541 20 0 DFADHO CCc1ccc(CN2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)s1 ZINC000414703163 316636751 /nfs/dbraw/zinc/63/67/51/316636751.db2.gz XWHRGGGNKCJXSB-HOTGVXAUSA-N 1 3 321.534 2.816 20 0 DFADHO CCOc1cc(CN[C@@H]2CCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000414788639 316657149 /nfs/dbraw/zinc/65/71/49/316657149.db2.gz DROLWSMRUBNGGO-QWHCGFSZSA-N 1 3 314.376 2.904 20 0 DFADHO COc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1OCC(C)C ZINC000414794757 316660163 /nfs/dbraw/zinc/66/01/63/316660163.db2.gz MCTSXQBCVCRDFE-HOTGVXAUSA-N 1 3 306.450 2.947 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414800859 316662623 /nfs/dbraw/zinc/66/26/23/316662623.db2.gz LMWSVINIJDFEPM-UHOSZYNNSA-N 1 3 318.461 2.852 20 0 DFADHO CCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453081188 317160447 /nfs/dbraw/zinc/16/04/47/317160447.db2.gz PKKJOVCVBUJUOF-ZCNNSNEGSA-N 1 3 315.505 2.971 20 0 DFADHO COc1ncc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1Cl ZINC000453292278 317176973 /nfs/dbraw/zinc/17/69/73/317176973.db2.gz NIWJSRUCJWWECU-YUELXQCFSA-N 1 3 309.841 2.706 20 0 DFADHO CC1(C)CCCN(CC[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459512446 317328073 /nfs/dbraw/zinc/32/80/73/317328073.db2.gz JSEOLXDHRVNAEX-UHFFFAOYSA-N 1 3 316.493 2.762 20 0 DFADHO C[C@H]1C[C@@H]1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000488410078 317389908 /nfs/dbraw/zinc/38/99/08/317389908.db2.gz HZRMTQCSOFETTP-AZUAARDMSA-N 1 3 315.505 2.830 20 0 DFADHO COc1ccc(CN2CCC(C[NH2+]CC3(F)CC3)CC2)cc1 ZINC000526979522 317739326 /nfs/dbraw/zinc/73/93/26/317739326.db2.gz PBVJEHJNYXZPSN-UHFFFAOYSA-N 1 3 306.425 2.999 20 0 DFADHO C[C@H](c1cccc(F)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242518 317778414 /nfs/dbraw/zinc/77/84/14/317778414.db2.gz UKVFNZVAEBNKHP-KDOFPFPSSA-N 1 3 306.425 2.977 20 0 DFADHO CCN1CCN(c2cccc(N[C@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000566481244 317951983 /nfs/dbraw/zinc/95/19/83/317951983.db2.gz GJLOJPJSHUTHRF-HOTGVXAUSA-N 1 3 302.466 2.510 20 0 DFADHO CCN1CCN(c2ccccc2N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000571657025 317988875 /nfs/dbraw/zinc/98/88/75/317988875.db2.gz IKTABDCVLRBGQP-CVEARBPZSA-N 1 3 302.466 2.510 20 0 DFADHO C[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)[C@@H](C)C1CCCCC1 ZINC000574803641 318041124 /nfs/dbraw/zinc/04/11/24/318041124.db2.gz OTIPQQUIKNUCSO-ZIAGYGMSSA-N 1 3 319.497 2.966 20 0 DFADHO CCc1nccn1[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000575755536 318081449 /nfs/dbraw/zinc/08/14/49/318081449.db2.gz SHLAQFBUVHXMOB-IBGZPJMESA-N 1 3 324.472 2.928 20 0 DFADHO CCc1ccc([C@H](CN[C@H](C)[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000577363132 318187933 /nfs/dbraw/zinc/18/79/33/318187933.db2.gz YJHOKZXJVGGLBJ-LZQZEXGQSA-N 1 3 303.494 2.829 20 0 DFADHO Cn1cc(CN2CCC(CC[NH3+])CC2)c(-c2cccs2)n1 ZINC000577399099 318190676 /nfs/dbraw/zinc/19/06/76/318190676.db2.gz FJEDZBQWESWYDG-UHFFFAOYSA-N 1 3 304.463 2.709 20 0 DFADHO C[C@@H]1[C@@H]([NH2+]C[C@H]2CCCN(C)C2)CCCN1Cc1ccccc1 ZINC000577873242 318223747 /nfs/dbraw/zinc/22/37/47/318223747.db2.gz UTKBFSPLTBOTIJ-RLLQIKCJSA-N 1 3 315.505 2.971 20 0 DFADHO COc1cncc(/C=C/CCN2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000577949964 318227947 /nfs/dbraw/zinc/22/79/47/318227947.db2.gz MMDLQOAOYOFDSY-PFWMLDTASA-N 1 3 303.450 2.910 20 0 DFADHO COc1cncc(/C=C/CC[N@@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000577949964 318227949 /nfs/dbraw/zinc/22/79/49/318227949.db2.gz MMDLQOAOYOFDSY-PFWMLDTASA-N 1 3 303.450 2.910 20 0 DFADHO COc1cncc(/C=C/CC[N@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000577949964 318227950 /nfs/dbraw/zinc/22/79/50/318227950.db2.gz MMDLQOAOYOFDSY-PFWMLDTASA-N 1 3 303.450 2.910 20 0 DFADHO C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](c1ccccc1)N(C)C ZINC000578568993 318270089 /nfs/dbraw/zinc/27/00/89/318270089.db2.gz FOMKHHTYOBGXGG-QAPCUYQASA-N 1 3 305.466 2.526 20 0 DFADHO C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000578638325 318274697 /nfs/dbraw/zinc/27/46/97/318274697.db2.gz VOSPCZCRCCISKN-AXHNFQJDSA-N 1 3 316.445 2.887 20 0 DFADHO CN[C@@H](C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000578642903 318275617 /nfs/dbraw/zinc/27/56/17/318275617.db2.gz GFQULWZNYCACRG-HNNXBMFYSA-N 1 3 303.450 2.507 20 0 DFADHO NC[C@H]([NH2+][C@H]1CCN[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000578858302 318290439 /nfs/dbraw/zinc/29/04/39/318290439.db2.gz IABLDBMDVVYPKV-OTWHNJEPSA-N 1 3 301.478 2.977 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000579258654 318318989 /nfs/dbraw/zinc/31/89/89/318318989.db2.gz VFVGKIRFKWFAGQ-ZNMIVQPWSA-N 1 3 323.868 2.787 20 0 DFADHO C[C@@H](NCCOc1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000579342065 318323678 /nfs/dbraw/zinc/32/36/78/318323678.db2.gz TTZRJIGCLQFYMH-VXGBXAGGSA-N 1 3 300.805 2.836 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCN2CCc3c(Cl)cccc3C2)C1 ZINC000579495162 318335667 /nfs/dbraw/zinc/33/56/67/318335667.db2.gz PHBPLOYWTPUQGR-CABCVRRESA-N 1 3 307.869 2.558 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000579733021 318351767 /nfs/dbraw/zinc/35/17/67/318351767.db2.gz HELZCHWWDZAYBD-QZTJIDSGSA-N 1 3 300.446 2.676 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](Cc1ccccc1)C1CC1 ZINC000383595007 323304728 /nfs/dbraw/zinc/30/47/28/323304728.db2.gz SOXZZQKEMUWQNU-PMACEKPBSA-N 1 3 310.441 2.582 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000383595007 323304733 /nfs/dbraw/zinc/30/47/33/323304733.db2.gz SOXZZQKEMUWQNU-PMACEKPBSA-N 1 3 310.441 2.582 20 0 DFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000387579311 323326557 /nfs/dbraw/zinc/32/65/57/323326557.db2.gz PIJVTDIEJNCWDC-HNNXBMFYSA-N 1 3 321.465 2.720 20 0 DFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000387678991 323327647 /nfs/dbraw/zinc/32/76/47/323327647.db2.gz RTHCJJZURKMOPG-RRFJBIMHSA-N 1 3 313.486 2.704 20 0 DFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000387678991 323327651 /nfs/dbraw/zinc/32/76/51/323327651.db2.gz RTHCJJZURKMOPG-RRFJBIMHSA-N 1 3 313.486 2.704 20 0 DFADHO CSC[C@@H](O)CNCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000581305315 323503716 /nfs/dbraw/zinc/50/37/16/323503716.db2.gz CGMWWFOPFSSWPK-SFHVURJKSA-N 1 3 322.518 2.732 20 0 DFADHO CCN1CCN(c2ccccc2N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000582295399 323646740 /nfs/dbraw/zinc/64/67/40/323646740.db2.gz HBXUDVRCLQLLJC-IRXDYDNUSA-N 1 3 316.493 2.629 20 0 DFADHO CSC[C@H](O)CNCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000582959644 323768100 /nfs/dbraw/zinc/76/81/00/323768100.db2.gz HISUSFOFRFRSHN-GOSISDBHSA-N 1 3 322.518 2.732 20 0 DFADHO COc1ccc([C@H](CN)C[NH+]2CCc3ccccc3CC2)cc1 ZINC000583075119 323790951 /nfs/dbraw/zinc/79/09/51/323790951.db2.gz ZKGSIBDOFGCAFY-LJQANCHMSA-N 1 3 310.441 2.838 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000663502727 500748839 /nfs/dbraw/zinc/74/88/39/500748839.db2.gz LHWAPVGPHUGYHD-GDBMZVCRSA-N 1 3 305.466 2.929 20 0 DFADHO c1cc(N2CCC(C[NH2+]C3CCN(C4CC4)CC3)CC2)ccn1 ZINC000297605359 534469682 /nfs/dbraw/zinc/46/96/82/534469682.db2.gz KHSGBROFKJUIOV-UHFFFAOYSA-N 1 3 314.477 2.514 20 0 DFADHO CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000366330345 521113517 /nfs/dbraw/zinc/11/35/17/521113517.db2.gz QTKUIVYYRNREFN-BPUTZDHNSA-N 1 3 323.868 2.576 20 0 DFADHO C[NH+](C)CCSC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000368498642 521807147 /nfs/dbraw/zinc/80/71/47/521807147.db2.gz JLTODXLFQHQWOA-KRWDZBQOSA-N 1 3 308.491 2.572 20 0 DFADHO Cc1[nH+]c2ccccc2c(N2CCN(CCO)C(C)(C)C2)c1C ZINC000302504137 534671110 /nfs/dbraw/zinc/67/11/10/534671110.db2.gz DMBAVEGNEPPKLK-UHFFFAOYSA-N 1 3 313.445 2.745 20 0 DFADHO CCc1cc(N2CCC[N@@H+]([C@H](C)CO)CC2)c2ccccc2n1 ZINC000364981678 523793808 /nfs/dbraw/zinc/79/38/08/523793808.db2.gz KZBSTKPBDVPZLM-OAHLLOKOSA-N 1 3 313.445 2.690 20 0 DFADHO CCc1cc(N2CCC[N@H+]([C@H](C)CO)CC2)c2ccccc2n1 ZINC000364981678 523793811 /nfs/dbraw/zinc/79/38/11/523793811.db2.gz KZBSTKPBDVPZLM-OAHLLOKOSA-N 1 3 313.445 2.690 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC(c2ccccc2CO)CC1 ZINC000364778435 523819359 /nfs/dbraw/zinc/81/93/59/523819359.db2.gz LVAYJESQGWWLHV-GOSISDBHSA-N 1 3 302.462 2.843 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(c2ccccc2CO)CC1 ZINC000364778435 523819365 /nfs/dbraw/zinc/81/93/65/523819365.db2.gz LVAYJESQGWWLHV-GOSISDBHSA-N 1 3 302.462 2.843 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC(c2ccccc2CO)CC1 ZINC000364778435 523819370 /nfs/dbraw/zinc/81/93/70/523819370.db2.gz LVAYJESQGWWLHV-GOSISDBHSA-N 1 3 302.462 2.843 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC(c2ccccc2CO)CC1 ZINC000364778437 523848913 /nfs/dbraw/zinc/84/89/13/523848913.db2.gz LVAYJESQGWWLHV-SFHVURJKSA-N 1 3 302.462 2.843 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC(c2ccccc2CO)CC1 ZINC000364778437 523848920 /nfs/dbraw/zinc/84/89/20/523848920.db2.gz LVAYJESQGWWLHV-SFHVURJKSA-N 1 3 302.462 2.843 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC(c2ccccc2CO)CC1 ZINC000364778437 523848926 /nfs/dbraw/zinc/84/89/26/523848926.db2.gz LVAYJESQGWWLHV-SFHVURJKSA-N 1 3 302.462 2.843 20 0 DFADHO C[C@H](CCc1cccc(F)c1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128385043 524239891 /nfs/dbraw/zinc/23/98/91/524239891.db2.gz SDXIKPYCYBQEQW-QGZVFWFLSA-N 1 3 321.484 2.764 20 0 DFADHO Cc1nccn1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310320782 534774038 /nfs/dbraw/zinc/77/40/38/534774038.db2.gz YPIAYMWLCUCSPL-PMACEKPBSA-N 1 3 324.472 2.645 20 0 DFADHO Cc1nccn1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310320782 534774043 /nfs/dbraw/zinc/77/40/43/534774043.db2.gz YPIAYMWLCUCSPL-PMACEKPBSA-N 1 3 324.472 2.645 20 0 DFADHO Cc1ccn2c(CNCCCCC[NH+]3CCCC3)cnc2c1 ZINC000339497480 525610495 /nfs/dbraw/zinc/61/04/95/525610495.db2.gz JTVBICQUHHYNDM-UHFFFAOYSA-N 1 3 300.450 2.998 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)cc1 ZINC000295002595 528144861 /nfs/dbraw/zinc/14/48/61/528144861.db2.gz IGXFZPBSJCTRTE-RCCFBDPRSA-N 1 3 317.477 2.560 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358103365 535361928 /nfs/dbraw/zinc/36/19/28/535361928.db2.gz KJWOVWUXCKOLKC-LZLYRXPVSA-N 1 3 321.509 2.630 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358103365 535361934 /nfs/dbraw/zinc/36/19/34/535361934.db2.gz KJWOVWUXCKOLKC-LZLYRXPVSA-N 1 3 321.509 2.630 20 0 DFADHO CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361527785 535508475 /nfs/dbraw/zinc/50/84/75/535508475.db2.gz SXNDEHUGSYKCEX-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361527785 535508481 /nfs/dbraw/zinc/50/84/81/535508481.db2.gz SXNDEHUGSYKCEX-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC1(C)C ZINC000355282772 535594908 /nfs/dbraw/zinc/59/49/08/535594908.db2.gz SBGGVIBBEKEUBW-DLBZAZTESA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC1(C)C ZINC000355282772 535594913 /nfs/dbraw/zinc/59/49/13/535594913.db2.gz SBGGVIBBEKEUBW-DLBZAZTESA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC1(C)C ZINC000355282777 535595602 /nfs/dbraw/zinc/59/56/02/535595602.db2.gz SBGGVIBBEKEUBW-IRXDYDNUSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC1(C)C ZINC000355282777 535595606 /nfs/dbraw/zinc/59/56/06/535595606.db2.gz SBGGVIBBEKEUBW-IRXDYDNUSA-N 1 3 323.525 2.687 20 0 DFADHO CC[C@@H]([NH2+]CC(C)(C)CN1CCCC1)C1(C(=O)OC)CCC1 ZINC000357851980 535802880 /nfs/dbraw/zinc/80/28/80/535802880.db2.gz OKPGHUZNCABFJB-OAHLLOKOSA-N 1 3 310.482 2.820 20 0 DFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(C)CCCCN2)C1 ZINC000236938938 535819689 /nfs/dbraw/zinc/81/96/89/535819689.db2.gz RFCSKJMOFFVCGJ-CRAIPNDOSA-N 1 3 309.498 2.535 20 0 DFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(C)CCCCN2)C1 ZINC000236938938 535819690 /nfs/dbraw/zinc/81/96/90/535819690.db2.gz RFCSKJMOFFVCGJ-CRAIPNDOSA-N 1 3 309.498 2.535 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+](C)CCc2ccncc2)cc1 ZINC000680477682 545500487 /nfs/dbraw/zinc/50/04/87/545500487.db2.gz ZBBLHWAXHJDGGJ-UHFFFAOYSA-N 1 3 313.445 2.697 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+](C)CCc2ccncc2)cc1 ZINC000680477682 545500490 /nfs/dbraw/zinc/50/04/90/545500490.db2.gz ZBBLHWAXHJDGGJ-UHFFFAOYSA-N 1 3 313.445 2.697 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(O)cc2)CC1 ZINC000682404441 545841443 /nfs/dbraw/zinc/84/14/43/545841443.db2.gz GKXZNUYFDULCGI-UHFFFAOYSA-N 1 3 320.477 2.963 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(O)cc2)CC1 ZINC000682404441 545841449 /nfs/dbraw/zinc/84/14/49/545841449.db2.gz GKXZNUYFDULCGI-UHFFFAOYSA-N 1 3 320.477 2.963 20 0 DFADHO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000684149278 546158941 /nfs/dbraw/zinc/15/89/41/546158941.db2.gz WPZAFDGKTZWLBY-SJLPKXTDSA-N 1 3 320.477 2.752 20 0 DFADHO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000684149278 546158944 /nfs/dbraw/zinc/15/89/44/546158944.db2.gz WPZAFDGKTZWLBY-SJLPKXTDSA-N 1 3 320.477 2.752 20 0 DFADHO CO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCCN(C)C)C1 ZINC000684373433 546203274 /nfs/dbraw/zinc/20/32/74/546203274.db2.gz ZNCKTMSEZOIAAP-IRXDYDNUSA-N 1 3 306.450 2.674 20 0 DFADHO CCc1cccc(F)c1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000684535107 546238552 /nfs/dbraw/zinc/23/85/52/546238552.db2.gz IDKSAUAZWMZQLM-UHFFFAOYSA-N 1 3 307.457 2.505 20 0 DFADHO CCc1cccc(F)c1CNCCC[N@H+]1CCCN(C)CC1 ZINC000684535107 546238556 /nfs/dbraw/zinc/23/85/56/546238556.db2.gz IDKSAUAZWMZQLM-UHFFFAOYSA-N 1 3 307.457 2.505 20 0 DFADHO C[C@@H](CO)[N@@H+](Cc1ccc(OCCN(C)C)cc1)CC1CCC1 ZINC000685431600 546348536 /nfs/dbraw/zinc/34/85/36/546348536.db2.gz YMXIMPZMZVMZDQ-INIZCTEOSA-N 1 3 320.477 2.610 20 0 DFADHO C[C@@H](CO)[N@H+](Cc1ccc(OCCN(C)C)cc1)CC1CCC1 ZINC000685431600 546348539 /nfs/dbraw/zinc/34/85/39/546348539.db2.gz YMXIMPZMZVMZDQ-INIZCTEOSA-N 1 3 320.477 2.610 20 0 DFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCCCC[NH2+]1 ZINC000364462500 295660177 /nfs/dbraw/zinc/66/01/77/295660177.db2.gz PTYKHGWVVZRRRP-GJZGRUSLSA-N 1 3 321.490 2.533 20 0 DFADHO COc1ccc2c(c1)[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)CC2 ZINC000278579777 214252248 /nfs/dbraw/zinc/25/22/48/214252248.db2.gz PZFBSIINQYHCJC-BEFAXECRSA-N 1 3 318.461 2.773 20 0 DFADHO COc1ccc2c(c1)[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000278579777 214252250 /nfs/dbraw/zinc/25/22/50/214252250.db2.gz PZFBSIINQYHCJC-BEFAXECRSA-N 1 3 318.461 2.773 20 0 DFADHO COc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278626204 214284137 /nfs/dbraw/zinc/28/41/37/214284137.db2.gz RRYVIAYAOJREAW-CVEARBPZSA-N 1 3 306.450 2.847 20 0 DFADHO COc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278626204 214284140 /nfs/dbraw/zinc/28/41/40/214284140.db2.gz RRYVIAYAOJREAW-CVEARBPZSA-N 1 3 306.450 2.847 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCCN(CCCc2nc(-c3cccs3)no2)C1 ZINC000315340160 231139884 /nfs/dbraw/zinc/13/98/84/231139884.db2.gz FQDLBMXAYHBWNU-QWHCGFSZSA-N 1 3 320.462 2.790 20 0 DFADHO [NH3+]CCCN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000314592988 231131604 /nfs/dbraw/zinc/13/16/04/231131604.db2.gz HFOVQRPXIALXIU-UHFFFAOYSA-N 1 3 315.383 2.562 20 0 DFADHO CN(C)[C@@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)c1ccccc1 ZINC000261617348 282177151 /nfs/dbraw/zinc/17/71/51/282177151.db2.gz BSROILBJZYLUCC-ROUUACIJSA-N 1 3 317.477 2.703 20 0 DFADHO CC(C)Oc1ccccc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000236671557 398363459 /nfs/dbraw/zinc/36/34/59/398363459.db2.gz JONZWHKPHLQTKQ-UHFFFAOYSA-N 1 3 319.493 2.591 20 0 DFADHO CC(C)Oc1ccccc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000236671557 398363461 /nfs/dbraw/zinc/36/34/61/398363461.db2.gz JONZWHKPHLQTKQ-UHFFFAOYSA-N 1 3 319.493 2.591 20 0 DFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CNC3CC3)cc2)C1 ZINC000237478518 398370406 /nfs/dbraw/zinc/37/04/06/398370406.db2.gz RWWHWXGGDQHONK-CQSZACIVSA-N 1 3 301.434 2.609 20 0 DFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC3CC3)cc2)C1 ZINC000237478518 398370408 /nfs/dbraw/zinc/37/04/08/398370408.db2.gz RWWHWXGGDQHONK-CQSZACIVSA-N 1 3 301.434 2.609 20 0 DFADHO CC(=O)Nc1ccccc1CN1CCC(CC[NH+](C)C)CC1 ZINC000092381317 185314774 /nfs/dbraw/zinc/31/47/74/185314774.db2.gz OVTLZWSRVGSTRP-UHFFFAOYSA-N 1 3 303.450 2.809 20 0 DFADHO CC(=O)Nc1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459375582 299090904 /nfs/dbraw/zinc/09/09/04/299090904.db2.gz NDTOTWUXUWZNGJ-UHFFFAOYSA-N 1 3 324.428 2.799 20 0 DFADHO C[C@@H]1CCC[C@@H](C[NH2+]C2CCN(C3CCN(C)CC3)CC2)C1 ZINC000092564483 185326209 /nfs/dbraw/zinc/32/62/09/185326209.db2.gz VYUAFTVUVMYTEV-IAGOWNOFSA-N 1 3 307.526 2.961 20 0 DFADHO CCN(CC)[C@H](CNC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000459387986 299093339 /nfs/dbraw/zinc/09/33/39/299093339.db2.gz KKNGPSACSWVUIG-QGZVFWFLSA-N 1 3 305.466 2.879 20 0 DFADHO CCN(CC)[C@H](C[NH2+]C1CCN(C2CC2)CC1)c1ccco1 ZINC000459387986 299093341 /nfs/dbraw/zinc/09/33/41/299093341.db2.gz KKNGPSACSWVUIG-QGZVFWFLSA-N 1 3 305.466 2.879 20 0 DFADHO CN(CCCO)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459385914 299093580 /nfs/dbraw/zinc/09/35/80/299093580.db2.gz ZMHQTHRNGYEWBB-UHFFFAOYSA-N 1 3 304.425 2.591 20 0 DFADHO CN(C)CCNC(=O)C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000092615713 185328935 /nfs/dbraw/zinc/32/89/35/185328935.db2.gz MYEGIAHJROIETO-UHFFFAOYSA-N 1 3 323.525 2.593 20 0 DFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cnn(C)c1 ZINC000092821173 185343990 /nfs/dbraw/zinc/34/39/90/185343990.db2.gz QILHHRKKQKTKQH-UHFFFAOYSA-N 1 3 313.449 2.554 20 0 DFADHO COC1CCC(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000459425737 299102900 /nfs/dbraw/zinc/10/29/00/299102900.db2.gz LWFJIAAHVPYIEN-UHFFFAOYSA-N 1 3 303.450 2.845 20 0 DFADHO CC(C)[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CC1 ZINC000090038859 398474627 /nfs/dbraw/zinc/47/46/27/398474627.db2.gz QWGVWKMRZUJVTP-GOSISDBHSA-N 1 3 317.477 2.502 20 0 DFADHO CC1(C)CCC[C@](O)(C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459527455 299125970 /nfs/dbraw/zinc/12/59/70/299125970.db2.gz YWPUJMJFUVGBTK-LJQANCHMSA-N 1 3 317.477 2.971 20 0 DFADHO CC(C)[C@@H](CO)[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)C ZINC000459576974 299138338 /nfs/dbraw/zinc/13/83/38/299138338.db2.gz LMFSALNCGYPLEC-RTBURBONSA-N 1 3 319.493 2.929 20 0 DFADHO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000272612500 210011077 /nfs/dbraw/zinc/01/10/77/210011077.db2.gz WOBKMHWOVIVDIS-LTFPLMDUSA-N 1 3 314.473 2.790 20 0 DFADHO COC(=O)c1ccc(C[NH2+]CC2(CN(C)C)CCCC2)cc1F ZINC000597082230 398563215 /nfs/dbraw/zinc/56/32/15/398563215.db2.gz CPSFPEQKRMPIJX-UHFFFAOYSA-N 1 3 322.424 2.824 20 0 DFADHO COC(=O)c1oc(CNCC2CC[NH+](CC3CC3)CC2)cc1C ZINC000597248509 398606486 /nfs/dbraw/zinc/60/64/86/398606486.db2.gz ZUWUTGVDNIVJKK-UHFFFAOYSA-N 1 3 320.433 2.586 20 0 DFADHO CN1CCC(CC(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)CC1 ZINC000368277477 282689724 /nfs/dbraw/zinc/68/97/24/282689724.db2.gz SJURMFFLMCFOHY-SFHVURJKSA-N 1 3 321.509 2.585 20 0 DFADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000414680600 295815448 /nfs/dbraw/zinc/81/54/48/295815448.db2.gz ZAAWOIIXIXJILU-CYBMUJFWSA-N 1 3 316.424 2.879 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2cn3cc(Cl)ccc3n2)C1 ZINC000459722802 299172260 /nfs/dbraw/zinc/17/22/60/299172260.db2.gz BZXGBAUXYRTTGO-CYBMUJFWSA-N 1 3 306.841 2.809 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2cn3cc(Cl)ccc3n2)C1 ZINC000459722802 299172263 /nfs/dbraw/zinc/17/22/63/299172263.db2.gz BZXGBAUXYRTTGO-CYBMUJFWSA-N 1 3 306.841 2.809 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000268746041 186376301 /nfs/dbraw/zinc/37/63/01/186376301.db2.gz AUDLZCQITNIKSV-BHYGNILZSA-N 1 3 318.461 2.851 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000268746041 186376302 /nfs/dbraw/zinc/37/63/02/186376302.db2.gz AUDLZCQITNIKSV-BHYGNILZSA-N 1 3 318.461 2.851 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(N3CCCC3)nc2)C1 ZINC000459731971 299175552 /nfs/dbraw/zinc/17/55/52/299175552.db2.gz LPGHZJAVELFHSM-INIZCTEOSA-N 1 3 302.466 2.503 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(N3CCCC3)nc2)C1 ZINC000459731971 299175556 /nfs/dbraw/zinc/17/55/56/299175556.db2.gz LPGHZJAVELFHSM-INIZCTEOSA-N 1 3 302.466 2.503 20 0 DFADHO Cn1c(CNCC[C@H]2CCC[NH2+]C2)nc2ccc(Cl)cc21 ZINC000414847988 295825844 /nfs/dbraw/zinc/82/58/44/295825844.db2.gz WNRGRZXFIAYCNR-GFCCVEGCSA-N 1 3 306.841 2.706 20 0 DFADHO CC[NH+]1CCC(CNCc2cn3cc(Cl)ccc3n2)CC1 ZINC000096543951 398660541 /nfs/dbraw/zinc/66/05/41/398660541.db2.gz OLCNQIXSEWVZED-UHFFFAOYSA-N 1 3 306.841 2.809 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@H]2CCCNC2)cc1F ZINC000414860840 295827504 /nfs/dbraw/zinc/82/75/04/295827504.db2.gz VZSKIZJCXXDCHX-LZWOXQAQSA-N 1 3 308.441 2.991 20 0 DFADHO COc1ccc([C@H](CO)CNC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000459750133 299181616 /nfs/dbraw/zinc/18/16/16/299181616.db2.gz NDNHIUUBTPWESD-INIZCTEOSA-N 1 3 320.477 2.624 20 0 DFADHO COc1ccc([C@H](CO)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000459750133 299181618 /nfs/dbraw/zinc/18/16/18/299181618.db2.gz NDNHIUUBTPWESD-INIZCTEOSA-N 1 3 320.477 2.624 20 0 DFADHO Cc1ccccc1NC(=O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000072637744 191207502 /nfs/dbraw/zinc/20/75/02/191207502.db2.gz QBEZKSQWUZZIGE-INIZCTEOSA-N 1 3 303.450 2.597 20 0 DFADHO Cc1ccccc1NC(=O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000072637744 191207505 /nfs/dbraw/zinc/20/75/05/191207505.db2.gz QBEZKSQWUZZIGE-INIZCTEOSA-N 1 3 303.450 2.597 20 0 DFADHO c1nc(-c2ccccn2)sc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415000649 295845971 /nfs/dbraw/zinc/84/59/71/295845971.db2.gz BLUPAKSIJLFGOH-GOEBONIOSA-N 1 3 314.458 2.683 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000072808762 191232709 /nfs/dbraw/zinc/23/27/09/191232709.db2.gz PPTSKYDESGRKPV-OKZBNKHCSA-N 1 3 323.525 2.686 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000072808762 191232711 /nfs/dbraw/zinc/23/27/11/191232711.db2.gz PPTSKYDESGRKPV-OKZBNKHCSA-N 1 3 323.525 2.686 20 0 DFADHO COc1ccc2nc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)sc2c1 ZINC000415014748 295847299 /nfs/dbraw/zinc/84/72/99/295847299.db2.gz XIMFBJDQQRWMLY-DZGCQCFKSA-N 1 3 317.458 2.783 20 0 DFADHO COc1c(Br)cccc1CN[C@H](C)CCC[NH3+] ZINC000415025399 295848400 /nfs/dbraw/zinc/84/84/00/295848400.db2.gz QWVQHEJZIIFKRY-SNVBAGLBSA-N 1 3 301.228 2.675 20 0 DFADHO CC(C)CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C(C)(C)C ZINC000415082828 295856009 /nfs/dbraw/zinc/85/60/09/295856009.db2.gz MLNORYHBGOZRJW-HOTGVXAUSA-N 1 3 311.514 2.624 20 0 DFADHO c1ccc(OCCN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173962979 198273800 /nfs/dbraw/zinc/27/38/00/198273800.db2.gz VWXZKHZPJMUOQK-UHFFFAOYSA-N 1 3 318.461 2.642 20 0 DFADHO C[N@@H+]1CCCN(CCCNCc2csc(C(C)(C)C)n2)CC1 ZINC000105476103 398693495 /nfs/dbraw/zinc/69/34/95/398693495.db2.gz WMMMNMIWPQUROK-UHFFFAOYSA-N 1 3 324.538 2.558 20 0 DFADHO C[N@H+]1CCCN(CCCNCc2csc(C(C)(C)C)n2)CC1 ZINC000105476103 398693497 /nfs/dbraw/zinc/69/34/97/398693497.db2.gz WMMMNMIWPQUROK-UHFFFAOYSA-N 1 3 324.538 2.558 20 0 DFADHO CCN1CCN(c2ccc(N[C@H](C)[C@@H]3CC[NH2+]C3)c(C)c2)CC1 ZINC000415111437 295859342 /nfs/dbraw/zinc/85/93/42/295859342.db2.gz BZFGUFOKHAIRPT-IAGOWNOFSA-N 1 3 316.493 2.547 20 0 DFADHO Cc1cc(F)ccc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415117862 295860169 /nfs/dbraw/zinc/86/01/69/295860169.db2.gz CMBVRGAAEONMJG-MSOLQXFVSA-N 1 3 306.425 2.852 20 0 DFADHO COc1ccc(C)cc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415119909 295860955 /nfs/dbraw/zinc/86/09/55/295860955.db2.gz FLVGXWHRYKXZSB-MJGOQNOKSA-N 1 3 318.461 2.722 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129250254 283007450 /nfs/dbraw/zinc/00/74/50/283007450.db2.gz KSXMOQJILHDXOI-ZFWWWQNUSA-N 1 3 321.431 2.723 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2cnoc2C)CC1 ZINC000129617163 283022288 /nfs/dbraw/zinc/02/22/88/283022288.db2.gz SWGWKMIUPSVXTC-UHFFFAOYSA-N 1 3 309.454 2.553 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnoc2C)CC1 ZINC000129617163 283022289 /nfs/dbraw/zinc/02/22/89/283022289.db2.gz SWGWKMIUPSVXTC-UHFFFAOYSA-N 1 3 309.454 2.553 20 0 DFADHO OC[C@H](Cc1ccccc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000130254904 283043501 /nfs/dbraw/zinc/04/35/01/283043501.db2.gz WHVCDCUGNHDOIF-IBGZPJMESA-N 1 3 316.489 2.977 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccccc1CCN(C)C ZINC000415569866 295891568 /nfs/dbraw/zinc/89/15/68/295891568.db2.gz LLHQKVSWAVNDSO-RHSMWYFYSA-N 1 3 318.465 2.524 20 0 DFADHO C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)cc1 ZINC000415970774 295907439 /nfs/dbraw/zinc/90/74/39/295907439.db2.gz IOKMGKABAJEKSI-OAHLLOKOSA-N 1 3 318.465 2.648 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@]2(C)OCCc3sccc32)[C@@H]2CCC[C@H]21 ZINC000353630061 283139028 /nfs/dbraw/zinc/13/90/28/283139028.db2.gz LTXXMOADTCSZPD-SCNOPHJPSA-N 1 3 320.502 2.998 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@]2(C)OCCc3sccc32)[C@@H]2CCC[C@H]21 ZINC000353630061 283139031 /nfs/dbraw/zinc/13/90/31/283139031.db2.gz LTXXMOADTCSZPD-SCNOPHJPSA-N 1 3 320.502 2.998 20 0 DFADHO CC[NH+](CC)CC1CCN(CC(=O)N(C(C)C)C(C)C)CC1 ZINC000047976700 398766950 /nfs/dbraw/zinc/76/69/50/398766950.db2.gz WEBWMXFRPLRZDK-UHFFFAOYSA-N 1 3 311.514 2.686 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](N)c1ccccc1 ZINC000236854774 202038380 /nfs/dbraw/zinc/03/83/80/202038380.db2.gz UGXHRFZLDGPMKE-WBVHZDCISA-N 1 3 305.466 2.703 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)C[C@@H](N)c1ccccc1)CC(C)C ZINC000236877107 202048665 /nfs/dbraw/zinc/04/86/65/202048665.db2.gz YMZXUJDFVGSZMY-ZWKOTPCHSA-N 1 3 319.493 2.949 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000236882767 202052012 /nfs/dbraw/zinc/05/20/12/202052012.db2.gz HCFHWTFCBDXETO-MJGOQNOKSA-N 1 3 317.477 2.575 20 0 DFADHO CCC[C@H]([NH3+])C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000236948100 202087904 /nfs/dbraw/zinc/08/79/04/202087904.db2.gz MXFVKNHBUXLYTJ-HNNXBMFYSA-N 1 3 321.490 2.610 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000236966877 202098492 /nfs/dbraw/zinc/09/84/92/202098492.db2.gz GSTFHHCCYIJYGR-GOSISDBHSA-N 1 3 317.477 2.806 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000237011927 202121953 /nfs/dbraw/zinc/12/19/53/202121953.db2.gz FWUNJAHZIUKYLW-RHSMWYFYSA-N 1 3 303.450 2.637 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000237017668 202123947 /nfs/dbraw/zinc/12/39/47/202123947.db2.gz QAUWXQXRHZCIEI-CXAGYDPISA-N 1 3 316.449 2.515 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000237074565 202144590 /nfs/dbraw/zinc/14/45/90/202144590.db2.gz ZRSWQSCREHMQKV-PVAVHDDUSA-N 1 3 301.434 2.607 20 0 DFADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)Cn2cccn2)cc1 ZINC000137966653 283255776 /nfs/dbraw/zinc/25/57/76/283255776.db2.gz BHHIMLAESVRKQM-INIZCTEOSA-N 1 3 300.450 2.903 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cccc2c1OC(C)(C)C2 ZINC000150998909 283273731 /nfs/dbraw/zinc/27/37/31/283273731.db2.gz XDWLIAPLNPKWRF-KRWDZBQOSA-N 1 3 320.477 2.847 20 0 DFADHO CC[NH+]1CCC(N[C@@H]2CCCc3ccc(C(=O)OC)cc32)CC1 ZINC000594491147 398808143 /nfs/dbraw/zinc/80/81/43/398808143.db2.gz WZMWGUCVBFHUJT-GOSISDBHSA-N 1 3 316.445 2.925 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594493388 398808886 /nfs/dbraw/zinc/80/88/86/398808886.db2.gz HLUNJUORJDLXLX-KDOFPFPSSA-N 1 3 316.445 2.782 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+]CC1=CCN(C)CC1)CCC2 ZINC000594515472 398814078 /nfs/dbraw/zinc/81/40/78/398814078.db2.gz VQUPVKOUMOPIJD-GOSISDBHSA-N 1 3 314.429 2.702 20 0 DFADHO CCC[C@H](C)C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000180048334 199112288 /nfs/dbraw/zinc/11/22/88/199112288.db2.gz ATJFIQPOYWZWHL-HNNXBMFYSA-N 1 3 305.466 2.504 20 0 DFADHO CC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000130321572 398843954 /nfs/dbraw/zinc/84/39/54/398843954.db2.gz RFMXQEBOQLZMEN-RLFYNMQTSA-N 1 3 317.477 2.518 20 0 DFADHO CCOC(=O)c1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000594736828 398852696 /nfs/dbraw/zinc/85/26/96/398852696.db2.gz WNRMVDHUTRVZQD-OAHLLOKOSA-N 1 3 320.433 2.668 20 0 DFADHO C[C@@H](CC(=O)N1CCN(CCC(C)(C)C)CC1)C1CC[NH2+]CC1 ZINC000237332899 202234682 /nfs/dbraw/zinc/23/46/82/202234682.db2.gz PGJAFFGNVNBLFF-INIZCTEOSA-N 1 3 323.525 2.593 20 0 DFADHO CCC(CC)[C@H](CN[C@H](C)[C@H]1C[C@@H]1C(=O)OC)[NH+]1CCCC1 ZINC000594914179 398869907 /nfs/dbraw/zinc/86/99/07/398869907.db2.gz DZKUOULZQMCMKH-SIXLDLHFSA-N 1 3 310.482 2.674 20 0 DFADHO COC(=O)[C@@H]1C[C@H]1[C@@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000594935632 398875434 /nfs/dbraw/zinc/87/54/34/398875434.db2.gz GSAOADOEHDIRFT-XOKHGSTOSA-N 1 3 308.466 2.571 20 0 DFADHO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000594935632 398875435 /nfs/dbraw/zinc/87/54/35/398875435.db2.gz GSAOADOEHDIRFT-XOKHGSTOSA-N 1 3 308.466 2.571 20 0 DFADHO Cc1ncsc1CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173958503 283391768 /nfs/dbraw/zinc/39/17/68/283391768.db2.gz XVDXUSYMWYTHGU-UHFFFAOYSA-N 1 3 323.506 2.571 20 0 DFADHO Cc1nc(C)c(CN2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000173954699 283391940 /nfs/dbraw/zinc/39/19/40/283391940.db2.gz DEBLSYOSYUHMIR-UHFFFAOYSA-N 1 3 323.506 2.837 20 0 DFADHO CSC[C@@H](O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000187932159 200178493 /nfs/dbraw/zinc/17/84/93/200178493.db2.gz OQNMWUQNELOTQO-NJAFHUGGSA-N 1 3 322.518 2.695 20 0 DFADHO CSC[C@@H](O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000187932159 200178495 /nfs/dbraw/zinc/17/84/95/200178495.db2.gz OQNMWUQNELOTQO-NJAFHUGGSA-N 1 3 322.518 2.695 20 0 DFADHO C[C@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000237540198 202275709 /nfs/dbraw/zinc/27/57/09/202275709.db2.gz SYCSQSIQBXWUIU-BHYGNILZSA-N 1 3 317.477 2.529 20 0 DFADHO C[C@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000237540198 202275712 /nfs/dbraw/zinc/27/57/12/202275712.db2.gz SYCSQSIQBXWUIU-BHYGNILZSA-N 1 3 317.477 2.529 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2(N)CCCCC2)C1 ZINC000237545008 202277941 /nfs/dbraw/zinc/27/79/41/202277941.db2.gz RTUXHWGLVIKGPO-HUUCEWRRSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)CN1Cc1ccccc1 ZINC000237566039 202286065 /nfs/dbraw/zinc/28/60/65/202286065.db2.gz CDRGRKDFEZUIRS-KXBFYZLASA-N 1 3 323.440 2.538 20 0 DFADHO CC[C@@H](CO)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000188667035 200283611 /nfs/dbraw/zinc/28/36/11/200283611.db2.gz JKESBSOVORLJMF-CADBVGFASA-N 1 3 302.462 2.648 20 0 DFADHO C[NH+](C)C1CCN(CCNCc2ccc(Cl)cc2F)CC1 ZINC000189373051 200390144 /nfs/dbraw/zinc/39/01/44/200390144.db2.gz PQEMZEYTCIGQTI-UHFFFAOYSA-N 1 3 313.848 2.595 20 0 DFADHO CN(C)C1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000417351451 296012890 /nfs/dbraw/zinc/01/28/90/296012890.db2.gz CPTZFKCDMIMEIG-GBESFXJTSA-N 1 3 313.489 2.581 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000417392411 296016323 /nfs/dbraw/zinc/01/63/23/296016323.db2.gz BJJNMTBDNFIRNK-QQTVYSQJSA-N 1 3 300.446 2.685 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000417392411 296016324 /nfs/dbraw/zinc/01/63/24/296016324.db2.gz BJJNMTBDNFIRNK-QQTVYSQJSA-N 1 3 300.446 2.685 20 0 DFADHO CCOC(=O)CCCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000595509225 398953750 /nfs/dbraw/zinc/95/37/50/398953750.db2.gz DOTPXNXLVUFKEU-UHFFFAOYSA-N 1 3 318.461 2.974 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3c(c2)ncn3C)[C@@H](C)C1 ZINC000271882574 209291967 /nfs/dbraw/zinc/29/19/67/209291967.db2.gz VMLKWHQZMUEKPZ-YOEHRIQHSA-N 1 3 300.450 2.735 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3c(c2)ncn3C)[C@@H](C)C1 ZINC000271882574 209291970 /nfs/dbraw/zinc/29/19/70/209291970.db2.gz VMLKWHQZMUEKPZ-YOEHRIQHSA-N 1 3 300.450 2.735 20 0 DFADHO c1cc(CCCN2CC[C@@H](C[NH+]3CCCC3)C2)cc2c1OCC2 ZINC000193253638 201014567 /nfs/dbraw/zinc/01/45/67/201014567.db2.gz JBQPVWOSLVUZCO-SFHVURJKSA-N 1 3 314.473 2.972 20 0 DFADHO c1cc(CCC[N@@H+]2CC[C@@H](CN3CCCC3)C2)cc2c1OCC2 ZINC000193253638 201014568 /nfs/dbraw/zinc/01/45/68/201014568.db2.gz JBQPVWOSLVUZCO-SFHVURJKSA-N 1 3 314.473 2.972 20 0 DFADHO c1cc(CCC[N@H+]2CC[C@@H](CN3CCCC3)C2)cc2c1OCC2 ZINC000193253638 201014570 /nfs/dbraw/zinc/01/45/70/201014570.db2.gz JBQPVWOSLVUZCO-SFHVURJKSA-N 1 3 314.473 2.972 20 0 DFADHO COc1ccc(CNCC2=CC[N@H+](C)CC2)cc1OC(F)F ZINC000271868229 209281476 /nfs/dbraw/zinc/28/14/76/209281476.db2.gz WVCGIZLSCHKVNR-UHFFFAOYSA-N 1 3 312.360 2.648 20 0 DFADHO COc1ccc(CNCC2=CC[N@@H+](C)CC2)cc1OC(F)F ZINC000271868229 209281480 /nfs/dbraw/zinc/28/14/80/209281480.db2.gz WVCGIZLSCHKVNR-UHFFFAOYSA-N 1 3 312.360 2.648 20 0 DFADHO C[C@@H](CC[NH2+]C1CCN(CCN(C)C)CC1)c1ccccc1 ZINC000194200420 201197214 /nfs/dbraw/zinc/19/72/14/201197214.db2.gz WCWYWPYXSLOEEO-KRWDZBQOSA-N 1 3 303.494 2.796 20 0 DFADHO COc1cc(CNC2CC[NH+](CCOC(C)C)CC2)ccc1C ZINC000194352234 201208374 /nfs/dbraw/zinc/20/83/74/201208374.db2.gz HZEZPECMQGUVOA-UHFFFAOYSA-N 1 3 320.477 2.983 20 0 DFADHO CC1(C)Cc2cccc(CN3CCC4(CC[NH2+]C4)CC3)c2O1 ZINC000167461452 398995464 /nfs/dbraw/zinc/99/54/64/398995464.db2.gz GUAJZUIAYXMORE-UHFFFAOYSA-N 1 3 300.446 2.976 20 0 DFADHO CC(C)(C(=O)NC[C@H]1[NH2+]CCCC1(C)C)[C@H](N)c1ccccc1 ZINC000417834469 296055957 /nfs/dbraw/zinc/05/59/57/296055957.db2.gz VHYSSYFJRLSVKB-HZPDHXFCSA-N 1 3 317.477 2.607 20 0 DFADHO CCC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC(C)C ZINC000475016775 299340891 /nfs/dbraw/zinc/34/08/91/299340891.db2.gz IDWLGHMXSQFLLW-SFHVURJKSA-N 1 3 319.493 2.774 20 0 DFADHO CCC[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC(C)C ZINC000475016775 299340895 /nfs/dbraw/zinc/34/08/95/299340895.db2.gz IDWLGHMXSQFLLW-SFHVURJKSA-N 1 3 319.493 2.774 20 0 DFADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000475154702 299344470 /nfs/dbraw/zinc/34/44/70/299344470.db2.gz FEIGDCRUICGJPD-ZWKOTPCHSA-N 1 3 321.509 2.534 20 0 DFADHO CCn1cncc1CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000418016433 296071628 /nfs/dbraw/zinc/07/16/28/296071628.db2.gz ZVXPRTIZZMOZCO-UHFFFAOYSA-N 1 3 313.449 2.646 20 0 DFADHO CCCCN1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000475925073 299350994 /nfs/dbraw/zinc/35/09/94/299350994.db2.gz FHMYSUUZLQNAAP-HZPDHXFCSA-N 1 3 311.514 2.924 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000091741193 193099787 /nfs/dbraw/zinc/09/97/87/193099787.db2.gz VXSFIYQFNXBELC-QAPCUYQASA-N 1 3 306.450 2.532 20 0 DFADHO CC[N@H+]1CC[C@H](NCCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000091741193 193099789 /nfs/dbraw/zinc/09/97/89/193099789.db2.gz VXSFIYQFNXBELC-QAPCUYQASA-N 1 3 306.450 2.532 20 0 DFADHO CC(=O)N1CC[C@@H]([NH2+]CC(C)(C)CN(C)C)c2ccccc21 ZINC000621749075 399063878 /nfs/dbraw/zinc/06/38/78/399063878.db2.gz RITOFDJIUMVLTP-MRXNPFEDSA-N 1 3 303.450 2.662 20 0 DFADHO CCO[C@@H]1CCCN(C/C=C\C[N@@H+]2CCC[C@@H](OCC)C2)C1 ZINC000606439221 399070074 /nfs/dbraw/zinc/07/00/74/399070074.db2.gz LHFHNXKMGWIFEJ-OSFIAYCASA-N 1 3 310.482 2.544 20 0 DFADHO CCO[C@@H]1CCCN(C/C=C\C[N@H+]2CCC[C@@H](OCC)C2)C1 ZINC000606439221 399070082 /nfs/dbraw/zinc/07/00/82/399070082.db2.gz LHFHNXKMGWIFEJ-OSFIAYCASA-N 1 3 310.482 2.544 20 0 DFADHO C[N@H+]1CC=C(CNCc2ccc(Br)c(F)c2)CC1 ZINC000271766488 209195500 /nfs/dbraw/zinc/19/55/00/209195500.db2.gz ALOFRDJVUAGWSD-UHFFFAOYSA-N 1 3 313.214 2.940 20 0 DFADHO C[N@@H+]1CC=C(CNCc2ccc(Br)c(F)c2)CC1 ZINC000271766488 209195503 /nfs/dbraw/zinc/19/55/03/209195503.db2.gz ALOFRDJVUAGWSD-UHFFFAOYSA-N 1 3 313.214 2.940 20 0 DFADHO CN(C)Cc1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000479450318 299377681 /nfs/dbraw/zinc/37/76/81/299377681.db2.gz UFEGDQFNWNZPSA-KRWDZBQOSA-N 1 3 303.450 2.951 20 0 DFADHO CN(C)Cc1ccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000479450318 299377685 /nfs/dbraw/zinc/37/76/85/299377685.db2.gz UFEGDQFNWNZPSA-KRWDZBQOSA-N 1 3 303.450 2.951 20 0 DFADHO O=C(N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)C12CCCN1CCC2 ZINC000377947372 284025345 /nfs/dbraw/zinc/02/53/45/284025345.db2.gz FSMSGAKLQQEVBM-MRXNPFEDSA-N 1 3 319.493 2.528 20 0 DFADHO O=C(N[C@@H]1CCC[N@H+](C2CCCCC2)C1)C12CCCN1CCC2 ZINC000377947372 284025347 /nfs/dbraw/zinc/02/53/47/284025347.db2.gz FSMSGAKLQQEVBM-MRXNPFEDSA-N 1 3 319.493 2.528 20 0 DFADHO CC(C)CCC[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000338422079 284111754 /nfs/dbraw/zinc/11/17/54/284111754.db2.gz QRSYZTDWKWWJNK-UHFFFAOYSA-N 1 3 304.482 2.620 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000261725362 203104086 /nfs/dbraw/zinc/10/40/86/203104086.db2.gz MJDGFTRENPEDNT-YJBOKZPZSA-N 1 3 317.477 2.654 20 0 DFADHO N[C@@H](CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1 ZINC000261734461 203104852 /nfs/dbraw/zinc/10/48/52/203104852.db2.gz NERMCGYKHCACOL-HNNXBMFYSA-N 1 3 313.376 2.500 20 0 DFADHO COc1cc2c(c(CN(C)CC3CC[NH+](C)CC3)c1)O[C@@H](C)C2 ZINC000093088643 193202078 /nfs/dbraw/zinc/20/20/78/193202078.db2.gz UWJAGERZWWKOBQ-AWEZNQCLSA-N 1 3 318.461 2.792 20 0 DFADHO C[C@H]1CN(CC2(C[N@@H+]3C[C@@H](C)[C@H](C)[C@@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375251 296137638 /nfs/dbraw/zinc/13/76/38/296137638.db2.gz RGBJFOGAWHUZMQ-COZGXFGHSA-N 1 3 308.510 2.956 20 0 DFADHO C[C@H]1CN(CC2(C[N@H+]3C[C@@H](C)[C@H](C)[C@@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375251 296137641 /nfs/dbraw/zinc/13/76/41/296137641.db2.gz RGBJFOGAWHUZMQ-COZGXFGHSA-N 1 3 308.510 2.956 20 0 DFADHO C[C@H]1C[N@@H+](CC2(CN3C[C@@H](C)[C@H](C)[C@@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375251 296137643 /nfs/dbraw/zinc/13/76/43/296137643.db2.gz RGBJFOGAWHUZMQ-COZGXFGHSA-N 1 3 308.510 2.956 20 0 DFADHO C[C@H]1C[N@H+](CC2(CN3C[C@@H](C)[C@H](C)[C@@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375251 296137644 /nfs/dbraw/zinc/13/76/44/296137644.db2.gz RGBJFOGAWHUZMQ-COZGXFGHSA-N 1 3 308.510 2.956 20 0 DFADHO CN1CC[C@H]([NH2+]CCN2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340174242 284155267 /nfs/dbraw/zinc/15/52/67/284155267.db2.gz NNKZLGCYNPMEAA-RBUKOAKNSA-N 1 3 301.478 2.897 20 0 DFADHO C[N@@H+]1CC[C@H](NCCN2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340174242 284155272 /nfs/dbraw/zinc/15/52/72/284155272.db2.gz NNKZLGCYNPMEAA-RBUKOAKNSA-N 1 3 301.478 2.897 20 0 DFADHO C[N@H+]1CC[C@H](NCCN2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340174242 284155275 /nfs/dbraw/zinc/15/52/75/284155275.db2.gz NNKZLGCYNPMEAA-RBUKOAKNSA-N 1 3 301.478 2.897 20 0 DFADHO CCC[C@@](C)(N)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000262720958 203392925 /nfs/dbraw/zinc/39/29/25/203392925.db2.gz ZRQKODQSOOBDNA-GOSISDBHSA-N 1 3 321.465 2.863 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000093639466 193278230 /nfs/dbraw/zinc/27/82/30/193278230.db2.gz NMZGYQLKCFSDDA-SJLPKXTDSA-N 1 3 320.477 2.874 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000093639466 193278232 /nfs/dbraw/zinc/27/82/32/193278232.db2.gz NMZGYQLKCFSDDA-SJLPKXTDSA-N 1 3 320.477 2.874 20 0 DFADHO C[C@H]1CN(CCC2CC[NH+](CC3=CCCOC3)CC2)C[C@H](C)O1 ZINC000093844413 193318010 /nfs/dbraw/zinc/31/80/10/193318010.db2.gz FXQQLFLPSUCJBG-IRXDYDNUSA-N 1 3 322.493 2.544 20 0 DFADHO CCOc1cc2nccc(N3CCC[C@H]3C[NH3+])c2cc1OCC ZINC000420205802 296162192 /nfs/dbraw/zinc/16/21/92/296162192.db2.gz UNDWVELHIJZLTK-ZDUSSCGKSA-N 1 3 315.417 2.960 20 0 DFADHO Cc1cc(N2CC[NH2+][C@H](C)C2)c2cc(OC(F)F)ccc2n1 ZINC000420217229 296162897 /nfs/dbraw/zinc/16/28/97/296162897.db2.gz XGTQVCNCLBSJDJ-LLVKDONJSA-N 1 3 307.344 2.943 20 0 DFADHO CCc1ccc2nccc(NCC3(COC)CC[NH2+]CC3)c2c1 ZINC000420234577 296164467 /nfs/dbraw/zinc/16/44/67/296164467.db2.gz CXFNYMMABPCFNK-UHFFFAOYSA-N 1 3 313.445 2.647 20 0 DFADHO C[NH2+]CC1CCN(Cc2ccc3oc(C(=O)OC)cc3c2)CC1 ZINC000420297052 296170962 /nfs/dbraw/zinc/17/09/62/296170962.db2.gz QUJPFADHFCVGBG-UHFFFAOYSA-N 1 3 316.401 2.651 20 0 DFADHO CCN(CC[C@H]1CCC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000420301102 296171650 /nfs/dbraw/zinc/17/16/50/296171650.db2.gz LAWNFWLSFRTKOQ-AEFFLSMTSA-N 1 3 315.461 2.504 20 0 DFADHO C[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420301520 296171766 /nfs/dbraw/zinc/17/17/66/296171766.db2.gz LKBMOVBANDMWHC-PCCBWWKXSA-N 1 3 324.468 2.581 20 0 DFADHO C[C@@]1(c2ccccc2)CC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420301520 296171767 /nfs/dbraw/zinc/17/17/67/296171767.db2.gz LKBMOVBANDMWHC-PCCBWWKXSA-N 1 3 324.468 2.581 20 0 DFADHO C[C@@]1(c2ccccc2)CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420301520 296171769 /nfs/dbraw/zinc/17/17/69/296171769.db2.gz LKBMOVBANDMWHC-PCCBWWKXSA-N 1 3 324.468 2.581 20 0 DFADHO O=C(c1cc(F)ccc1F)C1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420316574 296174266 /nfs/dbraw/zinc/17/42/66/296174266.db2.gz MNYIITDVINUVHO-ZDUSSCGKSA-N 1 3 322.399 2.859 20 0 DFADHO Cc1ccc(NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420331376 296176358 /nfs/dbraw/zinc/17/63/58/296176358.db2.gz BVGWJYMRUIMBEB-DLBZAZTESA-N 1 3 315.461 2.563 20 0 DFADHO Cc1cccc(C)c1NC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420325771 296175758 /nfs/dbraw/zinc/17/57/58/296175758.db2.gz BUGWQLCODBIFIZ-ZACQAIPSSA-N 1 3 315.461 2.562 20 0 DFADHO COc1cccc(CN(CC[C@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420328529 296176111 /nfs/dbraw/zinc/17/61/11/296176111.db2.gz ZUPCVOOWLVVSPU-VQIMIIECSA-N 1 3 318.461 2.676 20 0 DFADHO CC(C)CCC[C@H](C)NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335900 296177109 /nfs/dbraw/zinc/17/71/09/296177109.db2.gz IANLZZKOLVBYLM-OKZBNKHCSA-N 1 3 323.525 2.639 20 0 DFADHO Cc1ccc(C)c(NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420339039 296177481 /nfs/dbraw/zinc/17/74/81/296177481.db2.gz LOJRAVKFPJEMQI-SJORKVTESA-N 1 3 315.461 2.563 20 0 DFADHO Cc1cc(C)cc(NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420339004 296177550 /nfs/dbraw/zinc/17/75/50/296177550.db2.gz LJXCDZZEXPVSHG-IAGOWNOFSA-N 1 3 315.461 2.563 20 0 DFADHO Cc1ccc(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)c(CN(C)C)c1 ZINC000080669208 399168378 /nfs/dbraw/zinc/16/83/78/399168378.db2.gz LALITOIJDCLSEN-DLBZAZTESA-N 1 3 315.461 2.870 20 0 DFADHO Cc1ccc(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)c(CN(C)C)c1 ZINC000080669208 399168384 /nfs/dbraw/zinc/16/83/84/399168384.db2.gz LALITOIJDCLSEN-DLBZAZTESA-N 1 3 315.461 2.870 20 0 DFADHO Cc1cccc(NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420346947 296178342 /nfs/dbraw/zinc/17/83/42/296178342.db2.gz ZMVASFRSLAUKMK-IRXDYDNUSA-N 1 3 315.461 2.563 20 0 DFADHO C[C@@H](c1cccc(F)c1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420357046 296179671 /nfs/dbraw/zinc/17/96/71/296179671.db2.gz HKWDNCZYALILJN-HOTGVXAUSA-N 1 3 305.441 2.504 20 0 DFADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000420363717 296180332 /nfs/dbraw/zinc/18/03/32/296180332.db2.gz CCJRRFQAFZLBTQ-NSHDSACASA-N 1 3 302.249 2.549 20 0 DFADHO CCOc1ccc(OCCN[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420369003 296181495 /nfs/dbraw/zinc/18/14/95/296181495.db2.gz XHETZXVONCWCDK-GOSISDBHSA-N 1 3 306.450 2.961 20 0 DFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCCCC(F)(F)F)CC1 ZINC000420379270 296182961 /nfs/dbraw/zinc/18/29/61/296182961.db2.gz MZBKZQKVSZIRGW-ZIAGYGMSSA-N 1 3 308.388 2.937 20 0 DFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000282645008 217147833 /nfs/dbraw/zinc/14/78/33/217147833.db2.gz LKNSEJWIGUNCEF-INIZCTEOSA-N 1 3 324.472 2.969 20 0 DFADHO Cc1ccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000282645008 217147836 /nfs/dbraw/zinc/14/78/36/217147836.db2.gz LKNSEJWIGUNCEF-INIZCTEOSA-N 1 3 324.472 2.969 20 0 DFADHO Cc1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000282645008 217147839 /nfs/dbraw/zinc/14/78/39/217147839.db2.gz LKNSEJWIGUNCEF-INIZCTEOSA-N 1 3 324.472 2.969 20 0 DFADHO c1cc(CCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000420390908 296184702 /nfs/dbraw/zinc/18/47/02/296184702.db2.gz HYQIYNQMLALTQN-ROUUACIJSA-N 1 3 300.446 2.628 20 0 DFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCSc2ccccc2)CC1 ZINC000420389056 296184872 /nfs/dbraw/zinc/18/48/72/296184872.db2.gz XTVAJLLCUDFDNG-QZTJIDSGSA-N 1 3 320.502 2.997 20 0 DFADHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(F)cc1 ZINC000420393064 296185377 /nfs/dbraw/zinc/18/53/77/296185377.db2.gz JJRMWYQEOGONRH-PBHICJAKSA-N 1 3 319.424 2.618 20 0 DFADHO c1ccc(OCCOCCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420401704 296186414 /nfs/dbraw/zinc/18/64/14/296186414.db2.gz PRNVKJINXSQVRW-IEBWSBKVSA-N 1 3 318.461 2.546 20 0 DFADHO [NH3+]CC1(O)CCN(Cc2ccccc2Oc2ccccc2)CC1 ZINC000420405129 296186831 /nfs/dbraw/zinc/18/68/31/296186831.db2.gz OFLFQHNXQFACMF-UHFFFAOYSA-N 1 3 312.413 2.765 20 0 DFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc2ccccc2o1 ZINC000271697686 209135445 /nfs/dbraw/zinc/13/54/45/209135445.db2.gz MUMGEGDSHVEBBR-UHFFFAOYSA-N 1 3 315.461 2.891 20 0 DFADHO COC(=O)[C@H]1CC[C@@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000365308433 284381431 /nfs/dbraw/zinc/38/14/31/284381431.db2.gz QGKJZBQFMFDFIU-ATLSCFEFSA-N 1 3 322.493 2.961 20 0 DFADHO COC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000365308433 284381434 /nfs/dbraw/zinc/38/14/34/284381434.db2.gz QGKJZBQFMFDFIU-ATLSCFEFSA-N 1 3 322.493 2.961 20 0 DFADHO COCc1cccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000608057161 399228375 /nfs/dbraw/zinc/22/83/75/399228375.db2.gz SZOMUEIZLAPMLE-LJQANCHMSA-N 1 3 318.461 2.566 20 0 DFADHO C(=C\c1ccncc1)\C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000487532827 299467223 /nfs/dbraw/zinc/46/72/23/299467223.db2.gz DESCFTYSQRIITG-UPHRSURJSA-N 1 3 308.429 2.996 20 0 DFADHO CC[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)N(CC)CC ZINC000344038892 284572210 /nfs/dbraw/zinc/57/22/10/284572210.db2.gz IKEZXJUXAJOBEO-JZXOWHBKSA-N 1 3 311.514 2.734 20 0 DFADHO COCC[C@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284401353 218012207 /nfs/dbraw/zinc/01/22/07/218012207.db2.gz MZXCGYDPAVMFHE-HNNXBMFYSA-N 1 3 306.450 2.674 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CCSC3)cc2)CC1 ZINC000284451497 218032290 /nfs/dbraw/zinc/03/22/90/218032290.db2.gz UJOFGRXQAWECGC-OAHLLOKOSA-N 1 3 306.475 2.755 20 0 DFADHO CCCCOc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000284419213 218019085 /nfs/dbraw/zinc/01/90/85/218019085.db2.gz QRYXDAMHJFUVQC-MRXNPFEDSA-N 1 3 320.477 2.973 20 0 DFADHO CCSCC[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000273829661 211095627 /nfs/dbraw/zinc/09/56/27/211095627.db2.gz YMOBUXSOUVZBPZ-UHFFFAOYSA-N 1 3 321.534 2.932 20 0 DFADHO CN(CCC[NH2+][C@H]1CCN(C)C(C)(C)C1)Cc1ccccc1 ZINC000623343378 399367239 /nfs/dbraw/zinc/36/72/39/399367239.db2.gz PCYNOFPHSFRLHO-SFHVURJKSA-N 1 3 303.494 2.971 20 0 DFADHO C[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2sccc2C1 ZINC000623347623 399369005 /nfs/dbraw/zinc/36/90/05/399369005.db2.gz GEAZEJPFWRCMEX-GOEBONIOSA-N 1 3 321.534 2.957 20 0 DFADHO C[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2sccc2C1 ZINC000623347623 399369007 /nfs/dbraw/zinc/36/90/07/399369007.db2.gz GEAZEJPFWRCMEX-GOEBONIOSA-N 1 3 321.534 2.957 20 0 DFADHO CN1CC[C@@H]([NH2+]Cc2cccc(Cn3cccn3)c2)CC1(C)C ZINC000623370873 399374308 /nfs/dbraw/zinc/37/43/08/399374308.db2.gz CBKSRWRFEQKLTO-GOSISDBHSA-N 1 3 312.461 2.894 20 0 DFADHO Cc1cc(CNCCCC[NH+](C)C)ncc1Br ZINC000623383343 399376889 /nfs/dbraw/zinc/37/68/89/399376889.db2.gz PYSITUDXZIFJJJ-UHFFFAOYSA-N 1 3 300.244 2.584 20 0 DFADHO C[N@@H+]1CC[C@@H](NCCc2ccn(-c3ccccc3)n2)CC1(C)C ZINC000623393042 399379063 /nfs/dbraw/zinc/37/90/63/399379063.db2.gz WSCXLFPSTLTIAG-QGZVFWFLSA-N 1 3 312.461 2.877 20 0 DFADHO C[N@H+]1CC[C@@H](NCCc2ccn(-c3ccccc3)n2)CC1(C)C ZINC000623393042 399379066 /nfs/dbraw/zinc/37/90/66/399379066.db2.gz WSCXLFPSTLTIAG-QGZVFWFLSA-N 1 3 312.461 2.877 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)c1ccccc1 ZINC000106429008 194213169 /nfs/dbraw/zinc/21/31/69/194213169.db2.gz GUVWJGJUHGYDKX-ROUUACIJSA-N 1 3 319.493 2.772 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413426 399383763 /nfs/dbraw/zinc/38/37/63/399383763.db2.gz VKAGJFVRKYBMON-SJLPKXTDSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413426 399383765 /nfs/dbraw/zinc/38/37/65/399383765.db2.gz VKAGJFVRKYBMON-SJLPKXTDSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413426 399383768 /nfs/dbraw/zinc/38/37/68/399383768.db2.gz VKAGJFVRKYBMON-SJLPKXTDSA-N 1 3 303.494 2.969 20 0 DFADHO COc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623418502 399384730 /nfs/dbraw/zinc/38/47/30/399384730.db2.gz SOJFYDMTJDFQHW-DZGCQCFKSA-N 1 3 304.434 2.981 20 0 DFADHO C[N@@H+]1CC[C@H](NCCc2csc(N3CCCC3)n2)CC1(C)C ZINC000623423296 399386093 /nfs/dbraw/zinc/38/60/93/399386093.db2.gz AVLVTQRMCBVAJE-AWEZNQCLSA-N 1 3 322.522 2.748 20 0 DFADHO C[N@H+]1CC[C@H](NCCc2csc(N3CCCC3)n2)CC1(C)C ZINC000623423296 399386095 /nfs/dbraw/zinc/38/60/95/399386095.db2.gz AVLVTQRMCBVAJE-AWEZNQCLSA-N 1 3 322.522 2.748 20 0 DFADHO CN(C[C@@H](O)CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285360456 218398386 /nfs/dbraw/zinc/39/83/86/218398386.db2.gz BMKFHTDHYOCTFP-SWDXFRIISA-N 1 3 302.462 2.537 20 0 DFADHO CN(C[C@@H](O)CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285360456 218398388 /nfs/dbraw/zinc/39/83/88/218398388.db2.gz BMKFHTDHYOCTFP-SWDXFRIISA-N 1 3 302.462 2.537 20 0 DFADHO COc1cc(CNC(C)(C)CC[NH3+])ccc1OCC(F)(F)F ZINC000422554618 296311954 /nfs/dbraw/zinc/31/19/54/296311954.db2.gz NAWWXSUCMKNWOY-UHFFFAOYSA-N 1 3 320.355 2.853 20 0 DFADHO CCCOc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000268879640 207049600 /nfs/dbraw/zinc/04/96/00/207049600.db2.gz XJSLDZPYRRCMAX-DOTOQJQBSA-N 1 3 306.450 2.583 20 0 DFADHO CC[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc2c(c1)CCO2 ZINC000268882351 207052756 /nfs/dbraw/zinc/05/27/56/207052756.db2.gz YDDKFFWWBKSZIA-GOSISDBHSA-N 1 3 318.461 2.509 20 0 DFADHO C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623484969 399399869 /nfs/dbraw/zinc/39/98/69/399399869.db2.gz JBMAHAJTQGCWRQ-FUHWJXTLSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@@H](CN(C)Cc1ccccc1)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623484969 399399870 /nfs/dbraw/zinc/39/98/70/399399870.db2.gz JBMAHAJTQGCWRQ-FUHWJXTLSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@@H](CN(C)Cc1ccccc1)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623484969 399399872 /nfs/dbraw/zinc/39/98/72/399399872.db2.gz JBMAHAJTQGCWRQ-FUHWJXTLSA-N 1 3 303.494 2.969 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422640030 296317726 /nfs/dbraw/zinc/31/77/26/296317726.db2.gz UNYNRRNFOUTDJM-YDHLFZDLSA-N 1 3 321.440 2.768 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000422640030 296317728 /nfs/dbraw/zinc/31/77/28/296317728.db2.gz UNYNRRNFOUTDJM-YDHLFZDLSA-N 1 3 321.440 2.768 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000422640030 296317729 /nfs/dbraw/zinc/31/77/29/296317729.db2.gz UNYNRRNFOUTDJM-YDHLFZDLSA-N 1 3 321.440 2.768 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1ccccc1OC1CCCC1 ZINC000422691728 296317866 /nfs/dbraw/zinc/31/78/66/296317866.db2.gz IVQOQRWKKNICOI-MRXNPFEDSA-N 1 3 306.450 2.852 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422713558 296319995 /nfs/dbraw/zinc/31/99/95/296319995.db2.gz PXCJFDQKCHEKIG-KZNAEPCWSA-N 1 3 320.452 2.850 20 0 DFADHO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)[C@@H]1CCCCN1 ZINC000422711315 296320052 /nfs/dbraw/zinc/32/00/52/296320052.db2.gz GWYQWRAUYRUKIO-LZWOXQAQSA-N 1 3 307.507 2.615 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC[C@H](C)C[NH+]1CCCCC1 ZINC000422717092 296321103 /nfs/dbraw/zinc/32/11/03/296321103.db2.gz VJOIERZLHZWAFG-GJZGRUSLSA-N 1 3 304.482 2.621 20 0 DFADHO COCCOCc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623528783 399409279 /nfs/dbraw/zinc/40/92/79/399409279.db2.gz DFNZDCWNYRGUBY-SFHVURJKSA-N 1 3 320.477 2.812 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3nsnc32)[C@@H](C)C1 ZINC000268953984 207118513 /nfs/dbraw/zinc/11/85/13/207118513.db2.gz SYBVQBHRNDBFCA-SWLSCSKDSA-N 1 3 304.463 2.853 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc3nsnc32)[C@@H](C)C1 ZINC000268953984 207118517 /nfs/dbraw/zinc/11/85/17/207118517.db2.gz SYBVQBHRNDBFCA-SWLSCSKDSA-N 1 3 304.463 2.853 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000268962756 207125013 /nfs/dbraw/zinc/12/50/13/207125013.db2.gz JLODVSKFWRVKHW-KRWDZBQOSA-N 1 3 318.461 2.818 20 0 DFADHO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CCCCN1 ZINC000422725022 296322026 /nfs/dbraw/zinc/32/20/26/296322026.db2.gz XIGIDLOJJXVVEY-DNVCBOLYSA-N 1 3 319.468 2.910 20 0 DFADHO C[C@@H](NC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422725022 296322028 /nfs/dbraw/zinc/32/20/28/296322028.db2.gz XIGIDLOJJXVVEY-DNVCBOLYSA-N 1 3 319.468 2.910 20 0 DFADHO C[N@@H+]1C[C@@H](CNCc2cccc3n[nH]cc32)[C@H](c2ccccc2)C1 ZINC000623557921 399415773 /nfs/dbraw/zinc/41/57/73/399415773.db2.gz LSYBIQHCNAWIAQ-MJGOQNOKSA-N 1 3 320.440 2.998 20 0 DFADHO C[N@H+]1C[C@@H](CNCc2cccc3n[nH]cc32)[C@H](c2ccccc2)C1 ZINC000623557921 399415776 /nfs/dbraw/zinc/41/57/76/399415776.db2.gz LSYBIQHCNAWIAQ-MJGOQNOKSA-N 1 3 320.440 2.998 20 0 DFADHO Cc1cccc2nc(CCN[C@H]3CC[N@@H+](C)C(C)(C)C3)cn21 ZINC000623558746 399415889 /nfs/dbraw/zinc/41/58/89/399415889.db2.gz HOOYNIHKXFFMMZ-HNNXBMFYSA-N 1 3 300.450 2.648 20 0 DFADHO Cc1cccc2nc(CCN[C@H]3CC[N@H+](C)C(C)(C)C3)cn21 ZINC000623558746 399415890 /nfs/dbraw/zinc/41/58/90/399415890.db2.gz HOOYNIHKXFFMMZ-HNNXBMFYSA-N 1 3 300.450 2.648 20 0 DFADHO CC[C@@H](NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422729235 296322862 /nfs/dbraw/zinc/32/28/62/296322862.db2.gz KEWCFGKQAPWUBP-MOPGFXCFSA-N 1 3 301.478 2.771 20 0 DFADHO COc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422729032 296322708 /nfs/dbraw/zinc/32/27/08/296322708.db2.gz HFHMYQYMHDDWKX-LBPRGKRZSA-N 1 3 315.417 2.717 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cc(F)cc(Br)c1 ZINC000422730481 296322722 /nfs/dbraw/zinc/32/27/22/296322722.db2.gz JTUQXFGMSGABTE-GWCFXTLKSA-N 1 3 301.203 2.805 20 0 DFADHO c1cc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000422730909 296323096 /nfs/dbraw/zinc/32/30/96/296323096.db2.gz MTOCXISTDYEZSX-KSZLIROESA-N 1 3 300.446 2.674 20 0 DFADHO COCCOCc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000623657042 399436330 /nfs/dbraw/zinc/43/63/30/399436330.db2.gz IPAOXGGDWNGPRL-LJQANCHMSA-N 1 3 320.477 2.671 20 0 DFADHO Fc1cccc2c1CC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000269044462 207193367 /nfs/dbraw/zinc/19/33/67/207193367.db2.gz WGVUAXJEWQKHII-LIRRHRJNSA-N 1 3 318.436 2.904 20 0 DFADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137065 207268051 /nfs/dbraw/zinc/26/80/51/207268051.db2.gz UHXCYVJMQQWIHV-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137065 207268054 /nfs/dbraw/zinc/26/80/54/207268054.db2.gz UHXCYVJMQQWIHV-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137065 207268058 /nfs/dbraw/zinc/26/80/58/207268058.db2.gz UHXCYVJMQQWIHV-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137065 207268060 /nfs/dbraw/zinc/26/80/60/207268060.db2.gz UHXCYVJMQQWIHV-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO CCC(CC)(C[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269150116 207276587 /nfs/dbraw/zinc/27/65/87/207276587.db2.gz PFGXSNHRKVKNJJ-UHFFFAOYSA-N 1 3 317.477 2.532 20 0 DFADHO COC(=O)c1[nH]c(CNCCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000602512368 399465083 /nfs/dbraw/zinc/46/50/83/399465083.db2.gz ASRGBECCMKEHQT-AWEZNQCLSA-N 1 3 321.465 2.711 20 0 DFADHO COC(=O)c1[nH]c(CNCCCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC000602512368 399465085 /nfs/dbraw/zinc/46/50/85/399465085.db2.gz ASRGBECCMKEHQT-AWEZNQCLSA-N 1 3 321.465 2.711 20 0 DFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422735512 296323678 /nfs/dbraw/zinc/32/36/78/296323678.db2.gz DZZJAKFGCCPALP-XFKAJCMBSA-N 1 3 306.425 2.676 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1c(Cl)cccc1Cl ZINC000422738498 296324151 /nfs/dbraw/zinc/32/41/51/296324151.db2.gz JMJJPTRFXHNUOD-ITDIGPHOSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000422738498 296324152 /nfs/dbraw/zinc/32/41/52/296324152.db2.gz JMJJPTRFXHNUOD-ITDIGPHOSA-N 1 3 317.260 2.878 20 0 DFADHO CCOC(=O)C1([C@H](C)NCc2ccccc2Cl)CC[NH2+]CC1 ZINC000422739131 296324179 /nfs/dbraw/zinc/32/41/79/296324179.db2.gz ZWXGSWUDNRGFKZ-ZDUSSCGKSA-N 1 3 324.852 2.751 20 0 DFADHO Cc1ccccc1OCCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422744417 296324974 /nfs/dbraw/zinc/32/49/74/296324974.db2.gz SVDFJBKNLBWSRN-RCCFBDPRSA-N 1 3 318.461 2.511 20 0 DFADHO CC1CCN([C@H](CN[C@H]2CCC[C@@H]2[NH3+])c2cccs2)CC1 ZINC000422743372 296324994 /nfs/dbraw/zinc/32/49/94/296324994.db2.gz IJOFUHQWEGIMJH-HRCADAONSA-N 1 3 307.507 2.991 20 0 DFADHO CC1CCN([C@H](C[NH2+][C@H]2CCC[C@@H]2N)c2cccs2)CC1 ZINC000422743372 296324996 /nfs/dbraw/zinc/32/49/96/296324996.db2.gz IJOFUHQWEGIMJH-HRCADAONSA-N 1 3 307.507 2.991 20 0 DFADHO CC1CCN([C@H](CNC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000422742662 296325062 /nfs/dbraw/zinc/32/50/62/296325062.db2.gz SFIGHYXHPFXAQG-LJQANCHMSA-N 1 3 301.478 2.801 20 0 DFADHO C[C@H](c1ccccc1)N1CCC([NH2+][C@H]2CNCC[C@H]2C)CC1 ZINC000422748409 296325904 /nfs/dbraw/zinc/32/59/04/296325904.db2.gz UJVCILPAADEIDI-MDZRGWNJSA-N 1 3 301.478 2.800 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])N2CCCC2)c1 ZINC000422751078 296326512 /nfs/dbraw/zinc/32/65/12/296326512.db2.gz CCHKZRXMGJJIRR-QRQLOZEOSA-N 1 3 317.477 2.549 20 0 DFADHO CCN1CCC[C@@H]1CN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422752840 296326870 /nfs/dbraw/zinc/32/68/70/296326870.db2.gz HOQUYZGXWJLHBZ-BHIYHBOVSA-N 1 3 317.477 2.562 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2CCC[NH2+]CC2)N2CCCC2)c1 ZINC000422752743 296326965 /nfs/dbraw/zinc/32/69/65/296326965.db2.gz FIEFGXWSQPXJOE-MJGOQNOKSA-N 1 3 317.477 2.564 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCN1CCCCCC1=O ZINC000422760009 296328168 /nfs/dbraw/zinc/32/81/68/296328168.db2.gz PTMMGVLINWENCD-SJORKVTESA-N 1 3 309.498 2.680 20 0 DFADHO Cc1ccc(SCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422757419 296327677 /nfs/dbraw/zinc/32/76/77/296327677.db2.gz CXPMJBCNPHFYOP-FGTMMUONSA-N 1 3 320.502 2.834 20 0 DFADHO Fc1cccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422756360 296327682 /nfs/dbraw/zinc/32/76/82/296327682.db2.gz CFMVPGHHNNOVSY-KZNAEPCWSA-N 1 3 318.436 2.604 20 0 DFADHO COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000422767147 296329703 /nfs/dbraw/zinc/32/97/03/296329703.db2.gz YEOXJIRJTLCSJO-QRQLOZEOSA-N 1 3 317.477 2.549 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCN1c2ccccc2C[C@H]1C ZINC000422764405 296329435 /nfs/dbraw/zinc/32/94/35/296329435.db2.gz OLWQHUQUPIJSLF-CABCVRRESA-N 1 3 324.472 2.951 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCSc1ccc(Cl)cc1 ZINC000422774883 296330995 /nfs/dbraw/zinc/33/09/95/296330995.db2.gz YVJMCTBMEWHPEM-NILFDRSVSA-N 1 3 314.882 2.774 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCn1cnc2ccccc21 ZINC000422772851 296330693 /nfs/dbraw/zinc/33/06/93/296330693.db2.gz ZQMRWHUBDQWGHJ-YJBOKZPZSA-N 1 3 308.429 2.584 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422782220 296331857 /nfs/dbraw/zinc/33/18/57/296331857.db2.gz FZDQXOUQUKAYDP-KDOFPFPSSA-N 1 3 316.424 2.661 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422782220 296331858 /nfs/dbraw/zinc/33/18/58/296331858.db2.gz FZDQXOUQUKAYDP-KDOFPFPSSA-N 1 3 316.424 2.661 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000422781064 296331966 /nfs/dbraw/zinc/33/19/66/296331966.db2.gz KDMPBXFJMJTFSZ-HNNXBMFYSA-N 1 3 304.482 2.621 20 0 DFADHO Cc1nccn1CCCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000422778061 296331392 /nfs/dbraw/zinc/33/13/92/296331392.db2.gz HBFHYIMVCAUUAN-YJBOKZPZSA-N 1 3 300.450 2.520 20 0 DFADHO Cc1nccn1CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000422778403 296331544 /nfs/dbraw/zinc/33/15/44/296331544.db2.gz HKLICRUAPYSASD-FGTMMUONSA-N 1 3 304.482 2.872 20 0 DFADHO Cc1nccn1CCCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)N ZINC000422778056 296331642 /nfs/dbraw/zinc/33/16/42/296331642.db2.gz HBFHYIMVCAUUAN-CRAIPNDOSA-N 1 3 300.450 2.520 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCNc1ncc(Cl)cc1Cl ZINC000422786349 296332621 /nfs/dbraw/zinc/33/26/21/296332621.db2.gz QFKWYXKRGQIRSW-JOYOIKCWSA-N 1 3 303.237 2.517 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422786349 296332622 /nfs/dbraw/zinc/33/26/22/296332622.db2.gz QFKWYXKRGQIRSW-JOYOIKCWSA-N 1 3 303.237 2.517 20 0 DFADHO Cc1csc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000623915411 399493546 /nfs/dbraw/zinc/49/35/46/399493546.db2.gz FVVRYHBDTWULKF-QLFBSQMISA-N 1 3 311.495 2.992 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000422787698 296333046 /nfs/dbraw/zinc/33/30/46/296333046.db2.gz UXUBORPLOIKAQM-KSZLIROESA-N 1 3 318.461 2.757 20 0 DFADHO Cc1csc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)n1 ZINC000623915410 399493681 /nfs/dbraw/zinc/49/36/81/399493681.db2.gz FVVRYHBDTWULKF-KKUMJFAQSA-N 1 3 311.495 2.992 20 0 DFADHO CC(C)C(=O)Nc1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422788386 296333063 /nfs/dbraw/zinc/33/30/63/296333063.db2.gz AMHPYAJFTCGMGQ-PBHICJAKSA-N 1 3 303.450 2.759 20 0 DFADHO OCC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422792033 296333733 /nfs/dbraw/zinc/33/37/33/296333733.db2.gz WRTWPUABCZSJOV-FCGDIQPGSA-N 1 3 302.462 2.663 20 0 DFADHO CO[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422795435 296334602 /nfs/dbraw/zinc/33/46/02/296334602.db2.gz VOILQYITEMMRJQ-RNIPGJKVSA-N 1 3 316.445 2.790 20 0 DFADHO c1ccc2c(c1)CCC[C@@H]2CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422805324 296336458 /nfs/dbraw/zinc/33/64/58/296336458.db2.gz LXFWBFZBUQAWRI-BTHPGYMESA-N 1 3 314.473 2.853 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCN1CCc2ccccc2C1 ZINC000422804735 296336278 /nfs/dbraw/zinc/33/62/78/296336278.db2.gz LAUINVMCAFKGPC-OAHLLOKOSA-N 1 3 324.472 2.558 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422820211 296339182 /nfs/dbraw/zinc/33/91/82/296339182.db2.gz PLUBDIPFEHGQOV-QZTJIDSGSA-N 1 3 312.461 2.581 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCc1nccn1Cc1ccccc1 ZINC000422820211 296339183 /nfs/dbraw/zinc/33/91/83/296339183.db2.gz PLUBDIPFEHGQOV-QZTJIDSGSA-N 1 3 312.461 2.581 20 0 DFADHO CN(C)[C@]1(C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)CCSC1 ZINC000422817833 296338755 /nfs/dbraw/zinc/33/87/55/296338755.db2.gz DXDIPCFKYYKWSU-KURKYZTESA-N 1 3 319.518 2.507 20 0 DFADHO c1cn(Cc2cccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)cn1 ZINC000422824730 296339602 /nfs/dbraw/zinc/33/96/02/296339602.db2.gz HYVSVFVWKMAPHU-SLFFLAALSA-N 1 3 324.472 2.942 20 0 DFADHO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC000631846248 399507778 /nfs/dbraw/zinc/50/77/78/399507778.db2.gz WXXPFNYYUGVBSM-AUUYWEPGSA-N 1 3 321.428 2.898 20 0 DFADHO C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC000631846248 399507781 /nfs/dbraw/zinc/50/77/81/399507781.db2.gz WXXPFNYYUGVBSM-AUUYWEPGSA-N 1 3 321.428 2.898 20 0 DFADHO c1c(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc2n1CCCC2 ZINC000422830087 296340608 /nfs/dbraw/zinc/34/06/08/296340608.db2.gz HYVOJRSGMIEDDD-KZNAEPCWSA-N 1 3 316.493 2.662 20 0 DFADHO C[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422833296 296341498 /nfs/dbraw/zinc/34/14/98/296341498.db2.gz MHHPGCXAJBCADQ-BHIYHBOVSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])Oc1ccccc1Br ZINC000422842876 296343002 /nfs/dbraw/zinc/34/30/02/296343002.db2.gz ZJWMGVZLZHCZPM-SDDRHHMPSA-N 1 3 315.255 2.932 20 0 DFADHO COCCOc1ccccc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347069138 285011056 /nfs/dbraw/zinc/01/10/56/285011056.db2.gz OITNEHBKLZIKPP-GOSISDBHSA-N 1 3 318.461 2.676 20 0 DFADHO CC(C)COc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)cc1 ZINC000422854455 296345194 /nfs/dbraw/zinc/34/51/94/296345194.db2.gz ASQLXOHVJICLPU-KFKAGJAMSA-N 1 3 320.477 2.606 20 0 DFADHO CC(C)COc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422854455 296345196 /nfs/dbraw/zinc/34/51/96/296345196.db2.gz ASQLXOHVJICLPU-KFKAGJAMSA-N 1 3 320.477 2.606 20 0 DFADHO COc1ccccc1N1CC[C@@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422853311 296345251 /nfs/dbraw/zinc/34/52/51/296345251.db2.gz RXRSKQPKNHGYEB-IXDOHACOSA-N 1 3 317.477 2.642 20 0 DFADHO COc1ccccc1N1CC[C@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422853314 296345400 /nfs/dbraw/zinc/34/54/00/296345400.db2.gz RXRSKQPKNHGYEB-ZACQAIPSSA-N 1 3 317.477 2.642 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H](C)N1CCCC[C@@H]1C ZINC000422862116 296346404 /nfs/dbraw/zinc/34/64/04/296346404.db2.gz NKUBCIQLQRLFFB-DWRORGKVSA-N 1 3 303.494 2.797 20 0 DFADHO C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N)N1CCCC[C@H]1C ZINC000422862118 296346461 /nfs/dbraw/zinc/34/64/61/296346461.db2.gz NKUBCIQLQRLFFB-VXNCWWDNSA-N 1 3 303.494 2.797 20 0 DFADHO CCOCCOCc1cccc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422860253 296346059 /nfs/dbraw/zinc/34/60/59/296346059.db2.gz LFABNLUXQLCLBN-OALUTQOASA-N 1 3 320.477 2.847 20 0 DFADHO FC(F)(F)CN1CCC(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422859352 296346123 /nfs/dbraw/zinc/34/61/23/296346123.db2.gz JZQUKPYBTBJOPN-RBSFLKMASA-N 1 3 319.415 2.523 20 0 DFADHO FC(F)(F)CN1CCC(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422859350 296346140 /nfs/dbraw/zinc/34/61/40/296346140.db2.gz JZQUKPYBTBJOPN-QLFBSQMISA-N 1 3 319.415 2.523 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422874535 296348439 /nfs/dbraw/zinc/34/84/39/296348439.db2.gz AIBAONOFTUJNFB-FZKCQIBNSA-N 1 3 318.509 2.866 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422874535 296348440 /nfs/dbraw/zinc/34/84/40/296348440.db2.gz AIBAONOFTUJNFB-FZKCQIBNSA-N 1 3 318.509 2.866 20 0 DFADHO C[C@H](N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422873758 296348444 /nfs/dbraw/zinc/34/84/44/296348444.db2.gz MBFOMZVZAUHZIA-NEPXVJNWSA-N 1 3 301.478 2.770 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCCCC2)nc1 ZINC000422878959 296349478 /nfs/dbraw/zinc/34/94/78/296349478.db2.gz LNKKQWBNFHYSHD-IRXDYDNUSA-N 1 3 302.466 2.679 20 0 DFADHO Cc1ccccc1C1(C[NH2+][C@H]2CCC[C@H]2CN)CCOCC1 ZINC000422882262 296349738 /nfs/dbraw/zinc/34/97/38/296349738.db2.gz RRZKAWBYDRRIMM-WMZOPIPTSA-N 1 3 302.462 2.760 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)[C@@H]1CCOC1 ZINC000119632004 195006356 /nfs/dbraw/zinc/00/63/56/195006356.db2.gz FLFUZMHOKSKVDT-ZMSDIMECSA-N 1 3 306.450 2.703 20 0 DFADHO CC1CCN(c2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cn2)CC1 ZINC000422892562 296351929 /nfs/dbraw/zinc/35/19/29/296351929.db2.gz NIHPDACBXHLGSF-ZWKOTPCHSA-N 1 3 316.493 2.925 20 0 DFADHO C[C@H](NCCc1ccc(OC(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000422894841 296352161 /nfs/dbraw/zinc/35/21/61/296352161.db2.gz UPUDHKCVTAERMS-WCQYABFASA-N 1 3 302.340 2.715 20 0 DFADHO CC[C@@H](NCc1ccc(OCCN(C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422896406 296352225 /nfs/dbraw/zinc/35/22/25/296352225.db2.gz IDZTUHWSRTVDLO-MOPGFXCFSA-N 1 3 319.493 2.637 20 0 DFADHO Fc1cccc(F)c1CN1CCC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000422906522 296354393 /nfs/dbraw/zinc/35/43/93/296354393.db2.gz KBIWJFYWRNJNLR-LSDHHAIUSA-N 1 3 323.431 2.661 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000422907245 296354399 /nfs/dbraw/zinc/35/43/99/296354399.db2.gz LFCFABODVKURDI-GJZGRUSLSA-N 1 3 323.868 2.659 20 0 DFADHO COC(=O)c1csc(CNCCCCC[NH+]2CCCC2)c1 ZINC000602674932 399515641 /nfs/dbraw/zinc/51/56/41/399515641.db2.gz GABLTYNPMRSDOM-UHFFFAOYSA-N 1 3 310.463 2.890 20 0 DFADHO N[C@@H]1CCC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422917740 296355624 /nfs/dbraw/zinc/35/56/24/296355624.db2.gz GSCNJXYQOKQZJS-MNOVXSKESA-N 1 3 323.746 2.602 20 0 DFADHO C[C@H](O)CC(C)(C)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422919437 296355632 /nfs/dbraw/zinc/35/56/32/296355632.db2.gz JYINRFWRXWIXHN-QOKNQOGYSA-N 1 3 318.461 2.629 20 0 DFADHO N[C@H]1CCC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422917741 296355641 /nfs/dbraw/zinc/35/56/41/296355641.db2.gz GSCNJXYQOKQZJS-QWRGUYRKSA-N 1 3 323.746 2.602 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCCO[C@@H]1C(C)C ZINC000422921605 296355712 /nfs/dbraw/zinc/35/57/12/296355712.db2.gz QQAVYJDDSZPWBT-JCKWVBRZSA-N 1 3 305.466 2.951 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422926765 296356019 /nfs/dbraw/zinc/35/60/19/296356019.db2.gz DYGKVENPNFCOEX-GJZGRUSLSA-N 1 3 303.450 2.528 20 0 DFADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000422908675 296354759 /nfs/dbraw/zinc/35/47/59/296354759.db2.gz YYRKLDDVOSZGOQ-HOTGVXAUSA-N 1 3 302.397 2.761 20 0 DFADHO Cc1csc(CCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422911680 296354831 /nfs/dbraw/zinc/35/48/31/296354831.db2.gz UFBKIJOQYYICHE-ARFHVFGLSA-N 1 3 323.506 2.521 20 0 DFADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000422929434 296356957 /nfs/dbraw/zinc/35/69/57/296356957.db2.gz PZQSOGHLLKYNNQ-LSDHHAIUSA-N 1 3 324.852 2.903 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccc(F)c(Br)c1 ZINC000422931137 296356975 /nfs/dbraw/zinc/35/69/75/296356975.db2.gz AQWIWNGXCQMXRQ-ZJUUUORDSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931137 296356977 /nfs/dbraw/zinc/35/69/77/296356977.db2.gz AQWIWNGXCQMXRQ-ZJUUUORDSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCOc1cccc2ccccc21 ZINC000422936601 296358071 /nfs/dbraw/zinc/35/80/71/296358071.db2.gz FJJJMIALOOKZKK-QGTPRVQTSA-N 1 3 314.429 2.561 20 0 DFADHO c1cc2c(cc1[C@@H](N[C@H]1CCC[NH2+]CC1)C1CC1)OCCO2 ZINC000422938573 296358253 /nfs/dbraw/zinc/35/82/53/296358253.db2.gz HEZRGCYVTDVYFR-YJBOKZPZSA-N 1 3 302.418 2.641 20 0 DFADHO C[C@@H](NCCOc1cccc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000422939230 296358324 /nfs/dbraw/zinc/35/83/24/296358324.db2.gz IABBKMYIIPZWKZ-NEPJUHHUSA-N 1 3 302.340 2.672 20 0 DFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347501852 285060848 /nfs/dbraw/zinc/06/08/48/285060848.db2.gz MUYWVOYFWFDPCK-AWEZNQCLSA-N 1 3 315.461 2.530 20 0 DFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347501852 285060851 /nfs/dbraw/zinc/06/08/51/285060851.db2.gz MUYWVOYFWFDPCK-AWEZNQCLSA-N 1 3 315.461 2.530 20 0 DFADHO Clc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000422946997 296359197 /nfs/dbraw/zinc/35/91/97/296359197.db2.gz XPFSDGNKQKDPNB-HZSPNIEDSA-N 1 3 314.882 2.691 20 0 DFADHO CC(C)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422947741 296359355 /nfs/dbraw/zinc/35/93/55/296359355.db2.gz YSJOBVSAFFPOLF-VDGAXYAQSA-N 1 3 315.505 2.799 20 0 DFADHO C[C@H](NCCc1coc(-c2ccc(F)cc2)n1)[C@@H]1CC[NH2+]C1 ZINC000422945804 296358835 /nfs/dbraw/zinc/35/88/35/296358835.db2.gz NYBGNJBRNFOZBM-GXTWGEPZSA-N 1 3 303.381 2.611 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCCCc1nc(-c2ccncc2)cs1 ZINC000422956964 296360700 /nfs/dbraw/zinc/36/07/00/296360700.db2.gz RSPWDLZVGUGDSA-OLZOCXBDSA-N 1 3 304.463 2.853 20 0 DFADHO C[C@@H](N)C[C@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422956964 296360701 /nfs/dbraw/zinc/36/07/01/296360701.db2.gz RSPWDLZVGUGDSA-OLZOCXBDSA-N 1 3 304.463 2.853 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422956959 296360732 /nfs/dbraw/zinc/36/07/32/296360732.db2.gz RSNZYPAAUPDNJY-CABCVRRESA-N 1 3 316.474 2.855 20 0 DFADHO C[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCCCO1 ZINC000624006407 399520976 /nfs/dbraw/zinc/52/09/76/399520976.db2.gz VZPWPCGMMDSHHA-NQYYFHDYSA-N 1 3 302.462 2.879 20 0 DFADHO C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCCCO1 ZINC000624006407 399520978 /nfs/dbraw/zinc/52/09/78/399520978.db2.gz VZPWPCGMMDSHHA-NQYYFHDYSA-N 1 3 302.462 2.879 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000422957538 296361118 /nfs/dbraw/zinc/36/11/18/296361118.db2.gz UQULEBHRBYICJS-WBVHZDCISA-N 1 3 305.491 2.775 20 0 DFADHO C[C@@H](NCC1(c2ccccc2Cl)CCOCC1)C1C[NH2+]C1 ZINC000422959987 296361252 /nfs/dbraw/zinc/36/12/52/296361252.db2.gz UXHWDIULDLGRDU-CYBMUJFWSA-N 1 3 308.853 2.586 20 0 DFADHO C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)C1CNC1 ZINC000422959987 296361254 /nfs/dbraw/zinc/36/12/54/296361254.db2.gz UXHWDIULDLGRDU-CYBMUJFWSA-N 1 3 308.853 2.586 20 0 DFADHO c1ccc(C2CC(N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422963002 296361592 /nfs/dbraw/zinc/36/15/92/296361592.db2.gz DYMZFOOMRASONM-QCRHNUIXSA-N 1 3 300.446 2.679 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CCCNCC1 ZINC000422965246 296361948 /nfs/dbraw/zinc/36/19/48/296361948.db2.gz OCRFWARJLPUMCW-SFHVURJKSA-N 1 3 312.461 2.845 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@H]1CCC[NH2+]CC1 ZINC000422965246 296361949 /nfs/dbraw/zinc/36/19/49/296361949.db2.gz OCRFWARJLPUMCW-SFHVURJKSA-N 1 3 312.461 2.845 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000422968079 296362535 /nfs/dbraw/zinc/36/25/35/296362535.db2.gz VLZRIXHXKRKNOM-CABCVRRESA-N 1 3 300.450 2.829 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422968079 296362538 /nfs/dbraw/zinc/36/25/38/296362538.db2.gz VLZRIXHXKRKNOM-CABCVRRESA-N 1 3 300.450 2.829 20 0 DFADHO Cc1cc(C)c(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422997145 296365171 /nfs/dbraw/zinc/36/51/71/296365171.db2.gz AOVIRLLQXWNPBE-XUVXKRRUSA-N 1 3 316.489 2.901 20 0 DFADHO c1ccc(CC2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422993822 296364795 /nfs/dbraw/zinc/36/47/95/296364795.db2.gz GKGOXIBGHIPXEJ-GBESFXJTSA-N 1 3 314.473 2.756 20 0 DFADHO Cc1cc(C[C@@H](C)N[C@H]2CCC[NH2+]CC2)n(-c2ccccc2)n1 ZINC000422994503 296364934 /nfs/dbraw/zinc/36/49/34/296364934.db2.gz HXFXWLPZOXXZFX-WBVHZDCISA-N 1 3 312.461 2.843 20 0 DFADHO Cc1cc(C[C@H](C)N[C@@H](C)C[C@H](C)[NH3+])n(-c2ccccc2)n1 ZINC000423000586 296365777 /nfs/dbraw/zinc/36/57/77/296365777.db2.gz VQBHKDNJJFPCAK-KKUMJFAQSA-N 1 3 300.450 2.827 20 0 DFADHO Cc1cc(C[C@H](C)[NH2+][C@@H](C)C[C@H](C)N)n(-c2ccccc2)n1 ZINC000423000586 296365779 /nfs/dbraw/zinc/36/57/79/296365779.db2.gz VQBHKDNJJFPCAK-KKUMJFAQSA-N 1 3 300.450 2.827 20 0 DFADHO Cc1cc(C[C@H](C)N[C@H](C)C[C@@H](C)[NH3+])n(-c2ccccc2)n1 ZINC000423000585 296365916 /nfs/dbraw/zinc/36/59/16/296365916.db2.gz VQBHKDNJJFPCAK-KFWWJZLASA-N 1 3 300.450 2.827 20 0 DFADHO Cc1cc(C[C@H](C)[NH2+][C@H](C)C[C@@H](C)N)n(-c2ccccc2)n1 ZINC000423000585 296365918 /nfs/dbraw/zinc/36/59/18/296365918.db2.gz VQBHKDNJJFPCAK-KFWWJZLASA-N 1 3 300.450 2.827 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423001195 296366069 /nfs/dbraw/zinc/36/60/69/296366069.db2.gz DESLLJOUOVVVQO-CADBVGFASA-N 1 3 302.462 2.663 20 0 DFADHO Cc1cn2c(n1)[C@H](CN[C@H](C)C[C@@H]1CCCCC[NH2+]1)CCC2 ZINC000423004104 296366256 /nfs/dbraw/zinc/36/62/56/296366256.db2.gz JEHVFAFUEYILDE-PVAVHDDUSA-N 1 3 304.482 2.969 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc(COCC(F)(F)F)c1 ZINC000423004403 296366276 /nfs/dbraw/zinc/36/62/76/296366276.db2.gz OXEDTOYVGZYURW-NWDGAFQWSA-N 1 3 304.356 2.981 20 0 DFADHO Fc1ccccc1N1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423010242 296367210 /nfs/dbraw/zinc/36/72/10/296367210.db2.gz FZFVXFVZRIJUSO-QGPPMGRFSA-N 1 3 303.425 2.667 20 0 DFADHO COc1ccc(OC)c(CCC[NH2+][C@H]2CCNCC[C@@H]2C)c1 ZINC000423009041 296367216 /nfs/dbraw/zinc/36/72/16/296367216.db2.gz BSHUKZSFPZHVQJ-YOEHRIQHSA-N 1 3 306.450 2.614 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423014048 296367818 /nfs/dbraw/zinc/36/78/18/296367818.db2.gz NYUBGJBYJBBNOO-ZMSDIMECSA-N 1 3 305.441 2.902 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000423014048 296367819 /nfs/dbraw/zinc/36/78/19/296367819.db2.gz NYUBGJBYJBBNOO-ZMSDIMECSA-N 1 3 305.441 2.902 20 0 DFADHO CC(C)C[C@@H](N[C@@H](C)CCCC[NH3+])C(=O)Nc1nccs1 ZINC000423014136 296367918 /nfs/dbraw/zinc/36/79/18/296367918.db2.gz HJTXGXXVPBIEQO-QWHCGFSZSA-N 1 3 312.483 2.603 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423012400 296367409 /nfs/dbraw/zinc/36/74/09/296367409.db2.gz KRFNQVNIJBWSFP-DPDCMNJDSA-N 1 3 313.848 2.940 20 0 DFADHO CC(C)CSCCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423013239 296367491 /nfs/dbraw/zinc/36/74/91/296367491.db2.gz MIKAUFPOYWNZCP-BZUAXINKSA-N 1 3 300.512 2.512 20 0 DFADHO C[C@@H](CCC[NH3+])N[C@H](CCO)c1ccccc1Br ZINC000423033542 296370386 /nfs/dbraw/zinc/37/03/86/296370386.db2.gz OPEDPSRIDNLFSE-SMDDNHRTSA-N 1 3 315.255 2.590 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H](C)[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000423029171 296369644 /nfs/dbraw/zinc/36/96/44/296369644.db2.gz RUSZUPAWYRBYJR-APWZRJJASA-N 1 3 316.493 2.769 20 0 DFADHO CS[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000423031985 296369850 /nfs/dbraw/zinc/36/98/50/296369850.db2.gz LYWUFUDZGWWWMY-BYNSBNAKSA-N 1 3 300.512 2.511 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423030939 296369999 /nfs/dbraw/zinc/36/99/99/296369999.db2.gz KJHQFBPSQSGLTL-NEPJUHHUSA-N 1 3 306.385 2.524 20 0 DFADHO C[C@@H](N)C[C@H](C)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423030939 296370000 /nfs/dbraw/zinc/37/00/00/296370000.db2.gz KJHQFBPSQSGLTL-NEPJUHHUSA-N 1 3 306.385 2.524 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccccc1N1CCCCC1 ZINC000423041993 296371107 /nfs/dbraw/zinc/37/11/07/296371107.db2.gz KCLKCYKIIULZMP-CGTJXYLNSA-N 1 3 317.477 2.519 20 0 DFADHO Brc1ccc2[nH]cc(CC[NH2+]C3CCNCC3)c2c1 ZINC000423037195 296370663 /nfs/dbraw/zinc/37/06/63/296370663.db2.gz VRHMOVACYIRJKR-UHFFFAOYSA-N 1 3 322.250 2.815 20 0 DFADHO Brc1ccc2[nH]cc(CCNC3CC[NH2+]CC3)c2c1 ZINC000423037195 296370664 /nfs/dbraw/zinc/37/06/64/296370664.db2.gz VRHMOVACYIRJKR-UHFFFAOYSA-N 1 3 322.250 2.815 20 0 DFADHO COc1ccc([C@H](NCC2(N(C)C)CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423053867 296372507 /nfs/dbraw/zinc/37/25/07/296372507.db2.gz BEALIVQJIDJTHN-MSOLQXFVSA-N 1 3 317.477 2.562 20 0 DFADHO Cn1c(CNC2CCC(C[NH3+])CC2)nc2cccc(Cl)c21 ZINC000423055413 296372683 /nfs/dbraw/zinc/37/26/83/296372683.db2.gz WBGTUNQFORKTFJ-UHFFFAOYSA-N 1 3 306.841 2.834 20 0 DFADHO C[C@@H](NC[C@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423059356 296373296 /nfs/dbraw/zinc/37/32/96/296373296.db2.gz FKIDQLCDZVIJQG-AYOQOUSVSA-N 1 3 301.478 2.627 20 0 DFADHO CN1C[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)Cc2ccccc21 ZINC000423059897 296373494 /nfs/dbraw/zinc/37/34/94/296373494.db2.gz NBWFVOUHYAYDGW-WZGPROSRSA-N 1 3 313.489 2.805 20 0 DFADHO CN1C[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)Cc2ccccc21 ZINC000423059896 296373594 /nfs/dbraw/zinc/37/35/94/296373594.db2.gz NBWFVOUHYAYDGW-JCHJZTRSSA-N 1 3 313.489 2.805 20 0 DFADHO CN(Cc1ccccc1)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423058415 296373102 /nfs/dbraw/zinc/37/31/02/296373102.db2.gz CFWWRJDNOYCVBX-JIRNRHONSA-N 1 3 313.489 2.770 20 0 DFADHO CN(Cc1ccccc1)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423058416 296373117 /nfs/dbraw/zinc/37/31/17/296373117.db2.gz CFWWRJDNOYCVBX-XNMUZJSGSA-N 1 3 313.489 2.770 20 0 DFADHO Clc1ccc(N2CC[C@@H]([NH2+]C3CCNCC3)C2)c(Cl)c1 ZINC000423064784 296374229 /nfs/dbraw/zinc/37/42/29/296374229.db2.gz AJBBNLBVSKADFY-CYBMUJFWSA-N 1 3 314.260 2.914 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1ccc(Br)s1 ZINC000423062709 296373779 /nfs/dbraw/zinc/37/37/79/296373779.db2.gz UTBMWCILFBRROI-VHSXEESVSA-N 1 3 321.284 2.915 20 0 DFADHO CCOC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000423074492 296375265 /nfs/dbraw/zinc/37/52/65/296375265.db2.gz UVGOMFUMWIAKDE-AOIWGVFYSA-N 1 3 318.461 2.893 20 0 DFADHO CCC(O)(CC)CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423074571 296375284 /nfs/dbraw/zinc/37/52/84/296375284.db2.gz UZYJSTNZRAYEON-APWZRJJASA-N 1 3 318.461 2.773 20 0 DFADHO CO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C(F)(F)F ZINC000423073658 296375291 /nfs/dbraw/zinc/37/52/91/296375291.db2.gz ROZYIHWYBUWCLL-REWJHTLYSA-N 1 3 308.388 2.854 20 0 DFADHO [NH3+][C@H]1CCC[C@H]1NCCc1cccc(OCC(F)(F)F)c1 ZINC000423096608 296378014 /nfs/dbraw/zinc/37/80/14/296378014.db2.gz PPGFRSNWFSCMTL-UONOGXRCSA-N 1 3 302.340 2.640 20 0 DFADHO C(CN1CCC2(CCCCC2)CC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423093923 296377607 /nfs/dbraw/zinc/37/76/07/296377607.db2.gz APFFKJXDXIWTAU-JWTNVVGKSA-N 1 3 305.510 2.905 20 0 DFADHO CSc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423092433 296377621 /nfs/dbraw/zinc/37/76/21/296377621.db2.gz BWNUHVSCFLMODF-FGTMMUONSA-N 1 3 320.502 2.698 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1cccc(OCC(F)(F)F)c1 ZINC000423096607 296377773 /nfs/dbraw/zinc/37/77/73/296377773.db2.gz PPGFRSNWFSCMTL-KGLIPLIRSA-N 1 3 302.340 2.640 20 0 DFADHO CCOc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1Cl ZINC000423098713 296378330 /nfs/dbraw/zinc/37/83/30/296378330.db2.gz DJUNPXLPMVAQPA-UXIGCNINSA-N 1 3 312.841 2.581 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423102509 296378479 /nfs/dbraw/zinc/37/84/79/296378479.db2.gz WXWVIPGHGPZFCA-HIFRSBDPSA-N 1 3 316.367 2.887 20 0 DFADHO CN(C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000616995511 399558587 /nfs/dbraw/zinc/55/85/87/399558587.db2.gz STTVUTPQGITTDD-MRXNPFEDSA-N 1 3 317.477 2.598 20 0 DFADHO CN(C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000616995511 399558593 /nfs/dbraw/zinc/55/85/93/399558593.db2.gz STTVUTPQGITTDD-MRXNPFEDSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@H](N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000423109418 296379151 /nfs/dbraw/zinc/37/91/51/296379151.db2.gz NRXHGCWAWFNFEM-HJSHSUPBSA-N 1 3 310.388 2.852 20 0 DFADHO C[C@@H](N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000423109422 296379400 /nfs/dbraw/zinc/37/94/00/296379400.db2.gz NRXHGCWAWFNFEM-YQPCPPDFSA-N 1 3 310.388 2.852 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000616997977 399560725 /nfs/dbraw/zinc/56/07/25/399560725.db2.gz DPYXZCMDXBSCLJ-WBVHZDCISA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000616997977 399560729 /nfs/dbraw/zinc/56/07/29/399560729.db2.gz DPYXZCMDXBSCLJ-WBVHZDCISA-N 1 3 321.509 2.630 20 0 DFADHO COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)C2 ZINC000624122955 399561492 /nfs/dbraw/zinc/56/14/92/399561492.db2.gz BPPVXAIQJRWRLW-RDJZCZTQSA-N 1 3 302.462 2.874 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000423124928 296381729 /nfs/dbraw/zinc/38/17/29/296381729.db2.gz NAJALRNDODCFMB-BZSNNMDCSA-N 1 3 305.466 2.546 20 0 DFADHO CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2N)N(C)C)cc1 ZINC000423124928 296381730 /nfs/dbraw/zinc/38/17/30/296381730.db2.gz NAJALRNDODCFMB-BZSNNMDCSA-N 1 3 305.466 2.546 20 0 DFADHO OC[C@]1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423129377 296381939 /nfs/dbraw/zinc/38/19/39/296381939.db2.gz WYYAUDIHTVZFLX-OUUBHVDSSA-N 1 3 314.473 2.663 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423133372 296382561 /nfs/dbraw/zinc/38/25/61/296382561.db2.gz KDQJAOZTPHVPNO-GDBMZVCRSA-N 1 3 320.506 2.771 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1cnc(SC2CCCC2)nc1 ZINC000423133372 296382562 /nfs/dbraw/zinc/38/25/62/296382562.db2.gz KDQJAOZTPHVPNO-GDBMZVCRSA-N 1 3 320.506 2.771 20 0 DFADHO c1nc(SC2CCCC2)ncc1CCN[C@@H]1CCC[NH2+]CC1 ZINC000423139263 296383315 /nfs/dbraw/zinc/38/33/15/296383315.db2.gz VBWZDECAXYRBSF-OAHLLOKOSA-N 1 3 320.506 2.786 20 0 DFADHO C[C@H](NC[C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423141535 296383884 /nfs/dbraw/zinc/38/38/84/296383884.db2.gz QNDWSPFOMCIQQP-ZOBUZTSGSA-N 1 3 305.441 2.772 20 0 DFADHO COc1ncccc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423141806 296383893 /nfs/dbraw/zinc/38/38/93/296383893.db2.gz RWEZYPVAMYOUPQ-BRWVUGGUSA-N 1 3 303.450 2.533 20 0 DFADHO C[C@H](NC[C@H]1CCN(c2ccccc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000423141534 296383996 /nfs/dbraw/zinc/38/39/96/296383996.db2.gz QNDWSPFOMCIQQP-ZMSDIMECSA-N 1 3 305.441 2.772 20 0 DFADHO CSc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000423148588 296384953 /nfs/dbraw/zinc/38/49/53/296384953.db2.gz WBGDGHNJVBYFBV-ONYGOOLBSA-N 1 3 319.518 2.884 20 0 DFADHO CSc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)N(C)C)cc1 ZINC000423142922 296384388 /nfs/dbraw/zinc/38/43/88/296384388.db2.gz BQMWPMPDLUZPKV-OLMNPRSZSA-N 1 3 321.534 2.989 20 0 DFADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1cccc(F)c1 ZINC000423148899 296385087 /nfs/dbraw/zinc/38/50/87/296385087.db2.gz WZMXXDFMVGMENS-CADBVGFASA-N 1 3 320.452 2.630 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CC3CCC(=O)CC3)CC2)C[C@H](C)O1 ZINC000347744744 285156112 /nfs/dbraw/zinc/15/61/12/285156112.db2.gz HSUJEKCUTVKYFL-IYBDPMFKSA-N 1 3 322.493 2.567 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@H]1NCC1(N(C)Cc2ccccc2)CCC1 ZINC000423159219 296386442 /nfs/dbraw/zinc/38/64/42/296386442.db2.gz XPHNFAPQXWUYEB-SJLPKXTDSA-N 1 3 301.478 2.629 20 0 DFADHO c1ccc2c(c1)-c1ccccc1C2NCCCN1CC[NH2+]CC1 ZINC000423183042 296389253 /nfs/dbraw/zinc/38/92/53/296389253.db2.gz KWUHMQFRQWYTBI-UHFFFAOYSA-N 1 3 307.441 2.641 20 0 DFADHO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000157591135 197199868 /nfs/dbraw/zinc/19/98/68/197199868.db2.gz QEABYMIPAOKDKQ-JYJNAYRXSA-N 1 3 308.466 2.685 20 0 DFADHO C[C@H](Cc1cn(C)c2ccc(F)cc12)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423196313 296391269 /nfs/dbraw/zinc/39/12/69/296391269.db2.gz ZIINASUCNQLJKF-MGPQQGTHSA-N 1 3 303.425 2.836 20 0 DFADHO C[C@@H](NCCN1CC[NH2+]CC1)c1cc2cc(Cl)ccc2o1 ZINC000423199209 296391585 /nfs/dbraw/zinc/39/15/85/296391585.db2.gz AUKJDYADMNTZKI-GFCCVEGCSA-N 1 3 307.825 2.642 20 0 DFADHO C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1Cc1ccccc1 ZINC000423209510 296392806 /nfs/dbraw/zinc/39/28/06/296392806.db2.gz GHYGYJQJNQIVPN-UWPGDLITSA-N 1 3 313.489 2.912 20 0 DFADHO COCCOc1ccc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423263556 296398323 /nfs/dbraw/zinc/39/83/23/296398323.db2.gz BAHCYHQDEVTVCZ-ZVZYQTTQSA-N 1 3 306.450 2.880 20 0 DFADHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423263635 296398353 /nfs/dbraw/zinc/39/83/53/296398353.db2.gz BFPMOGRACOEBKA-RBUKOAKNSA-N 1 3 313.445 2.947 20 0 DFADHO C[C@@H](CO)CCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000271461117 208932909 /nfs/dbraw/zinc/93/29/09/208932909.db2.gz HLXPDLGVEWKGTC-HZPDHXFCSA-N 1 3 308.466 2.686 20 0 DFADHO CC(C)(C)[C@@H]1CCC[C@H](NCc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000629405751 399595584 /nfs/dbraw/zinc/59/55/84/399595584.db2.gz MJFZFROSVPOWET-VYDXJSESSA-N 1 3 319.497 2.897 20 0 DFADHO C[C@H](CCC1CCCCC1)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629406486 399595607 /nfs/dbraw/zinc/59/56/07/399595607.db2.gz WQTMOKNGDOXCGL-RHSMWYFYSA-N 1 3 305.470 2.651 20 0 DFADHO Cc1c([C@@H](C)NCC[C@H]2CCC[NH2+]C2)nnn1-c1ccccc1 ZINC000423264766 296398708 /nfs/dbraw/zinc/39/87/08/296398708.db2.gz YYVGLWYKDNPTGV-GDBMZVCRSA-N 1 3 313.449 2.616 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423269078 296398873 /nfs/dbraw/zinc/39/88/73/296398873.db2.gz GZYHSZCBHPFQAR-CORIIIEPSA-N 1 3 301.434 2.694 20 0 DFADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(C(=O)N(C)C)cc1 ZINC000423278062 296400270 /nfs/dbraw/zinc/40/02/70/296400270.db2.gz PCSIQRHEVFGDIJ-RRQGHBQHSA-N 1 3 303.450 2.557 20 0 DFADHO C[C@@H](CNC(=O)[C@H](N)CC1CCCCC1)[NH+]1CCC(C)CC1 ZINC000423357151 296408113 /nfs/dbraw/zinc/40/81/13/296408113.db2.gz LQCHAIKUPQEXBO-DOTOQJQBSA-N 1 3 309.498 2.521 20 0 DFADHO COc1ccc([C@H](Cc2ccncc2)NCC2=CC[NH2+]CC2)cc1 ZINC000423357024 296408186 /nfs/dbraw/zinc/40/81/86/296408186.db2.gz RRJAFWSTYZHFPJ-FQEVSTJZSA-N 1 3 323.440 2.883 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3c(c1)CNC3)CC2 ZINC000423372074 296409784 /nfs/dbraw/zinc/40/97/84/296409784.db2.gz GQIOAOHSNQVILU-IBGZPJMESA-N 1 3 308.425 2.946 20 0 DFADHO COc1ccc2c(c1)[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)CCCO2 ZINC000423442961 296416909 /nfs/dbraw/zinc/41/69/09/296416909.db2.gz PXHFLQMQPGFYBL-RYQLBKOJSA-N 1 3 316.445 2.887 20 0 DFADHO Cc1nccn1CCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000347931218 285253029 /nfs/dbraw/zinc/25/30/29/285253029.db2.gz KUTANTXPSWQTRB-WBVHZDCISA-N 1 3 304.482 2.824 20 0 DFADHO Cc1nccn1CCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000347931205 285253095 /nfs/dbraw/zinc/25/30/95/285253095.db2.gz KUTANTXPSWQTRB-DOTOQJQBSA-N 1 3 304.482 2.824 20 0 DFADHO Cc1cc(C)n(CCN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000347935599 285255593 /nfs/dbraw/zinc/25/55/93/285255593.db2.gz PZCVSDICIFBNAV-IAGOWNOFSA-N 1 3 304.482 2.743 20 0 DFADHO Cc1cc(C)n(CCN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000347935599 285255594 /nfs/dbraw/zinc/25/55/94/285255594.db2.gz PZCVSDICIFBNAV-IAGOWNOFSA-N 1 3 304.482 2.743 20 0 DFADHO Cc1cc(C)n(CC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)n1 ZINC000347935599 285255595 /nfs/dbraw/zinc/25/55/95/285255595.db2.gz PZCVSDICIFBNAV-IAGOWNOFSA-N 1 3 304.482 2.743 20 0 DFADHO Cc1cc(C)n(CCN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000347935598 285255629 /nfs/dbraw/zinc/25/56/29/285255629.db2.gz PZCVSDICIFBNAV-DLBZAZTESA-N 1 3 304.482 2.743 20 0 DFADHO Cc1cc(C)n(CCN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000347935598 285255630 /nfs/dbraw/zinc/25/56/30/285255630.db2.gz PZCVSDICIFBNAV-DLBZAZTESA-N 1 3 304.482 2.743 20 0 DFADHO Cc1cc(C)n(CC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)n1 ZINC000347935598 285255632 /nfs/dbraw/zinc/25/56/32/285255632.db2.gz PZCVSDICIFBNAV-DLBZAZTESA-N 1 3 304.482 2.743 20 0 DFADHO Cn1cc([C@H](NCCC[C@H]2CCC[NH2+]2)c2cccc(F)c2)cn1 ZINC000423488369 296421331 /nfs/dbraw/zinc/42/13/31/296421331.db2.gz VKTXSQDJDLFUQU-QZTJIDSGSA-N 1 3 316.424 2.770 20 0 DFADHO COCC[C@H]1CCC[C@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423525310 296426254 /nfs/dbraw/zinc/42/62/54/296426254.db2.gz KIWNRZSDYWPGMZ-OEOKKZFJSA-N 1 3 306.494 2.935 20 0 DFADHO OC[C@@H]1CCC[N@@H+]1CCCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000269901176 285273698 /nfs/dbraw/zinc/27/36/98/285273698.db2.gz GRUYXIQDQXPAJM-SUMWQHHRSA-N 1 3 324.415 2.779 20 0 DFADHO OC[C@@H]1CCC[N@H+]1CCCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000269901176 285273701 /nfs/dbraw/zinc/27/37/01/285273701.db2.gz GRUYXIQDQXPAJM-SUMWQHHRSA-N 1 3 324.415 2.779 20 0 DFADHO OC[C@H]1CCC[N@@H+]1CCCCN[C@H]1CCc2c1c(F)ccc2F ZINC000269901167 285290987 /nfs/dbraw/zinc/29/09/87/285290987.db2.gz GRUYXIQDQXPAJM-DYVFJYSZSA-N 1 3 324.415 2.779 20 0 DFADHO OC[C@H]1CCC[N@H+]1CCCCN[C@H]1CCc2c1c(F)ccc2F ZINC000269901167 285290988 /nfs/dbraw/zinc/29/09/88/285290988.db2.gz GRUYXIQDQXPAJM-DYVFJYSZSA-N 1 3 324.415 2.779 20 0 DFADHO CC(C)C[C@@H](C)C[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000348003116 285292220 /nfs/dbraw/zinc/29/22/20/285292220.db2.gz MCFZZTUZMGXNKP-MRXNPFEDSA-N 1 3 319.493 2.750 20 0 DFADHO O[C@@H](CCN1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000377522043 285300368 /nfs/dbraw/zinc/30/03/68/285300368.db2.gz BBELVLFYVACEMW-IBGZPJMESA-N 1 3 302.462 2.918 20 0 DFADHO CC(C)[C@H](C(=O)Nc1cc(CN)cc(C(F)(F)F)c1)[C@@H](C)[NH3+] ZINC000423624028 296434727 /nfs/dbraw/zinc/43/47/27/296434727.db2.gz PESXJAVSJBXRJU-RNCFNFMXSA-N 1 3 317.355 2.722 20 0 DFADHO c1n[nH]cc1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000289650010 221130000 /nfs/dbraw/zinc/13/00/00/221130000.db2.gz GEDHBVFKXTWFHJ-XUVXKRRUSA-N 1 3 324.472 2.843 20 0 DFADHO Cc1cccc2c1C[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)CO2 ZINC000629515641 399631533 /nfs/dbraw/zinc/63/15/33/399631533.db2.gz VIPMNUWRBITJGQ-ZBFHGGJFSA-N 1 3 311.429 2.811 20 0 DFADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(Br)cc1 ZINC000629525239 399635151 /nfs/dbraw/zinc/63/51/51/399635151.db2.gz YYIBSLXDQLSUOC-NSHDSACASA-N 1 3 313.239 2.608 20 0 DFADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1cccc(-c2ccncc2)c1 ZINC000629521865 399635679 /nfs/dbraw/zinc/63/56/79/399635679.db2.gz SOSMQZKQRWVOPC-HNNXBMFYSA-N 1 3 311.429 2.907 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1ccsc1 ZINC000289902474 221305545 /nfs/dbraw/zinc/30/55/45/221305545.db2.gz MZJUZIVBWAAVRA-FVQBIDKESA-N 1 3 323.506 2.635 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000629528319 399636885 /nfs/dbraw/zinc/63/68/85/399636885.db2.gz WFWYWSZDAJYFRV-XGXHKWSGSA-N 1 3 301.478 2.770 20 0 DFADHO C[NH2+]CCOCCN[C@H]1CCCOc2c(C(C)C)cccc21 ZINC000629530187 399637690 /nfs/dbraw/zinc/63/76/90/399637690.db2.gz YDRYUJGEASKOLG-KRWDZBQOSA-N 1 3 306.450 2.849 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000289967552 221348393 /nfs/dbraw/zinc/34/83/93/221348393.db2.gz NERKVTNYCXUGTB-ROUUACIJSA-N 1 3 315.461 2.999 20 0 DFADHO CCOc1cccc2cc([C@@H](C)NCCOCC[NH2+]C)oc21 ZINC000629529977 399637925 /nfs/dbraw/zinc/63/79/25/399637925.db2.gz RXARAKOAYMZQKH-CYBMUJFWSA-N 1 3 306.406 2.718 20 0 DFADHO C[NH2+]CCOCCN[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000629529969 399637986 /nfs/dbraw/zinc/63/79/86/399637986.db2.gz RRUIAXGZZRNRSK-LJQANCHMSA-N 1 3 314.429 2.610 20 0 DFADHO C[C@@H]1C[C@H](N(C)CCc2cn[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000289971384 221352210 /nfs/dbraw/zinc/35/22/10/221352210.db2.gz JDLZRKZQDUXMME-VQIMIIECSA-N 1 3 312.461 2.937 20 0 DFADHO C[C@@H]1C[C@H](N(C)CCc2cn[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000289971384 221352213 /nfs/dbraw/zinc/35/22/13/221352213.db2.gz JDLZRKZQDUXMME-VQIMIIECSA-N 1 3 312.461 2.937 20 0 DFADHO C[C@H](NCCOCCC[NH3+])c1cc(Br)ccc1F ZINC000629538756 399640142 /nfs/dbraw/zinc/64/01/42/399640142.db2.gz MUWQICMOWSUYDT-JTQLQIEISA-N 1 3 319.218 2.604 20 0 DFADHO CC(C)c1ccc(C[C@@H](C)NC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629574922 399653572 /nfs/dbraw/zinc/65/35/72/399653572.db2.gz LSMWKZKTMNEEDR-VQIMIIECSA-N 1 3 304.478 2.787 20 0 DFADHO CN(CCCOc1ccc2ccccc2c1)CCOCC[NH3+] ZINC000629577474 399653663 /nfs/dbraw/zinc/65/36/63/399653663.db2.gz AFYDRLHNHZGSJD-UHFFFAOYSA-N 1 3 302.418 2.516 20 0 DFADHO CSc1ccccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629591936 399657979 /nfs/dbraw/zinc/65/79/79/399657979.db2.gz VDTYLQJYSJAXCU-KRWDZBQOSA-N 1 3 320.502 2.999 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)C(=O)N1CCCC1 ZINC000629549598 399644275 /nfs/dbraw/zinc/64/42/75/399644275.db2.gz SKYKEGZJGUVVLV-JKSUJKDBSA-N 1 3 309.498 2.535 20 0 DFADHO Fc1ccc([C@@H]2CCCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1F ZINC000629552070 399645235 /nfs/dbraw/zinc/64/52/35/399645235.db2.gz ZPRVYHZYLASUSB-HUUCEWRRSA-N 1 3 322.399 2.665 20 0 DFADHO C[C@@H]([C@H](C)NCc1cn([C@@H]2CC[NH2+]C2)nn1)C1CCCCC1 ZINC000629554037 399647086 /nfs/dbraw/zinc/64/70/86/399647086.db2.gz YSIVNTICZZDXGL-GRDNDAEWSA-N 1 3 305.470 2.507 20 0 DFADHO CCC[C@H](NCc1cn([C@@H]2CC[NH2+]C2)nn1)C1CCCCC1 ZINC000629553674 399647118 /nfs/dbraw/zinc/64/71/18/399647118.db2.gz WUZCYTCFYABFBO-SJORKVTESA-N 1 3 305.470 2.651 20 0 DFADHO CC(C)(C)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000617347385 399673071 /nfs/dbraw/zinc/67/30/71/399673071.db2.gz LMCLSNPEPIMQJG-HZPDHXFCSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000617347385 399673076 /nfs/dbraw/zinc/67/30/76/399673076.db2.gz LMCLSNPEPIMQJG-HZPDHXFCSA-N 1 3 321.509 2.630 20 0 DFADHO CN(CCOCC[NH3+])Cc1ccc(Cl)c(Br)c1 ZINC000629666582 399683153 /nfs/dbraw/zinc/68/31/53/399683153.db2.gz TWQNXBLAOBOISS-UHFFFAOYSA-N 1 3 321.646 2.510 20 0 DFADHO Cc1nn(C)c(N(C)C)c1CNCCCC[N@H+]1CCCC[C@H]1C ZINC000624511466 399695777 /nfs/dbraw/zinc/69/57/77/399695777.db2.gz ISABMEDANPDXIC-OAHLLOKOSA-N 1 3 321.513 2.539 20 0 DFADHO Cc1nn(C)c(N(C)C)c1CNCCCC[N@@H+]1CCCC[C@H]1C ZINC000624511466 399695782 /nfs/dbraw/zinc/69/57/82/399695782.db2.gz ISABMEDANPDXIC-OAHLLOKOSA-N 1 3 321.513 2.539 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000423705956 296440784 /nfs/dbraw/zinc/44/07/84/296440784.db2.gz AGPAAQQVTOZXJJ-OAHLLOKOSA-N 1 3 315.461 2.797 20 0 DFADHO C[C@H](N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000090115643 542534284 /nfs/dbraw/zinc/53/42/84/542534284.db2.gz NXNNTTXMVRLIMR-VKJFTORMSA-N 1 3 315.461 2.500 20 0 DFADHO COC[C@@H](N[C@@H](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000091413749 542540749 /nfs/dbraw/zinc/54/07/49/542540749.db2.gz UDDREUAGWCCQHG-YVEFUNNKSA-N 1 3 312.404 2.972 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)C1CCCC1 ZINC000617506599 399720911 /nfs/dbraw/zinc/72/09/11/399720911.db2.gz SNYJBXJYRPRAGG-HNNXBMFYSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)C1CCCC1 ZINC000617506599 399720915 /nfs/dbraw/zinc/72/09/15/399720915.db2.gz SNYJBXJYRPRAGG-HNNXBMFYSA-N 1 3 311.514 2.591 20 0 DFADHO CN(C)CCN(CC1CCCCC1)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000423762449 296444526 /nfs/dbraw/zinc/44/45/26/296444526.db2.gz QHZMYRRVCQEIEB-KRWDZBQOSA-N 1 3 323.525 2.737 20 0 DFADHO Cc1cc(C)n(CC2CC[NH+](CC[C@@H]3CCCN3C)CC2)n1 ZINC000120948526 195270171 /nfs/dbraw/zinc/27/01/71/195270171.db2.gz MZHMHOLQZIZTKT-SFHVURJKSA-N 1 3 304.482 2.696 20 0 DFADHO Cc1cc(C)n(CC2CCN(CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000120948526 195270172 /nfs/dbraw/zinc/27/01/72/195270172.db2.gz MZHMHOLQZIZTKT-SFHVURJKSA-N 1 3 304.482 2.696 20 0 DFADHO Cc1cc(C)n(CC2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000120948526 195270173 /nfs/dbraw/zinc/27/01/73/195270173.db2.gz MZHMHOLQZIZTKT-SFHVURJKSA-N 1 3 304.482 2.696 20 0 DFADHO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000348110521 285355774 /nfs/dbraw/zinc/35/57/74/285355774.db2.gz NDWIOEZDDNZXHO-KXBFYZLASA-N 1 3 302.462 2.922 20 0 DFADHO CN(C)CCN(Cc1cccs1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000423776660 296446587 /nfs/dbraw/zinc/44/65/87/296446587.db2.gz QOLGIODDAKCUSL-ZBFHGGJFSA-N 1 3 323.506 2.546 20 0 DFADHO CCc1cc(N2CCN(CC(C)(C)O)CC2)c2ccccc2[nH+]1 ZINC000124476131 195645060 /nfs/dbraw/zinc/64/50/60/195645060.db2.gz KPBCDIHNNRHYSS-UHFFFAOYSA-N 1 3 313.445 2.690 20 0 DFADHO CCN(CCOCC(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063031 399741265 /nfs/dbraw/zinc/74/12/65/399741265.db2.gz OUUBRNQNVYAWHW-UHFFFAOYSA-N 1 3 300.393 2.852 20 0 DFADHO CCC[NH+]1CCC(NCc2ccc(F)c(CN(C)C)c2)CC1 ZINC000120814474 542580482 /nfs/dbraw/zinc/58/04/82/542580482.db2.gz CNIVRAMHPGAYMX-UHFFFAOYSA-N 1 3 307.457 2.851 20 0 DFADHO CCCN1CCC([NH2+]Cc2ccc(F)c(CN(C)C)c2)CC1 ZINC000120814474 542580484 /nfs/dbraw/zinc/58/04/84/542580484.db2.gz CNIVRAMHPGAYMX-UHFFFAOYSA-N 1 3 307.457 2.851 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121056821 542582455 /nfs/dbraw/zinc/58/24/55/542582455.db2.gz INAALZPLYHHMFP-SFHVURJKSA-N 1 3 323.431 2.569 20 0 DFADHO C[C@@H]([NH2+]CCN1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272442928 130031694 /nfs/dbraw/zinc/03/16/94/130031694.db2.gz ITYHTARTBMEXLV-QUCCMNQESA-N 1 3 315.505 2.973 20 0 DFADHO CCCN1CCC([NH2+]Cc2ccc(N(CC)CC)nc2)CC1 ZINC000126776194 542608112 /nfs/dbraw/zinc/60/81/12/542608112.db2.gz CUQBLJSZYGPQGU-UHFFFAOYSA-N 1 3 304.482 2.892 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)CN(C)C1CCC1)c1ccccc1 ZINC000629943608 399761917 /nfs/dbraw/zinc/76/19/17/399761917.db2.gz SAAUZIILRSFFGI-GOSISDBHSA-N 1 3 317.477 2.670 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H]1CCCNc2ccccc21 ZINC000348254629 285452357 /nfs/dbraw/zinc/45/23/57/285452357.db2.gz OYOJPXWNTMDCAG-SFHVURJKSA-N 1 3 305.466 2.881 20 0 DFADHO CCc1ccccc1[C@H](N)CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000423990351 296472625 /nfs/dbraw/zinc/47/26/25/296472625.db2.gz ZEAJIPWDVIMLGE-KZNAEPCWSA-N 1 3 317.477 2.663 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]CC2CCSCC2)cc1 ZINC000603515170 399785054 /nfs/dbraw/zinc/78/50/54/399785054.db2.gz XDLHGALLMWPVDH-UHFFFAOYSA-N 1 3 308.491 2.860 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)N(C)C1CC1 ZINC000340232280 131238955 /nfs/dbraw/zinc/23/89/55/131238955.db2.gz QFYJKCGXZXOGGY-HHXXYDBFSA-N 1 3 301.478 2.894 20 0 DFADHO Cc1cccc2c1CC[C@@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000154351794 542688991 /nfs/dbraw/zinc/68/89/91/542688991.db2.gz NGBWTKYWLZVFLR-IBGZPJMESA-N 1 3 301.478 2.600 20 0 DFADHO CCc1nn(C)cc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192935136 542854978 /nfs/dbraw/zinc/85/49/78/542854978.db2.gz AQZHABMFSMPJKR-KRWDZBQOSA-N 1 3 312.461 2.594 20 0 DFADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CC(CC(=O)OC)C1 ZINC000424321542 296502014 /nfs/dbraw/zinc/50/20/14/296502014.db2.gz ULIXNPMVBPOUAC-MYBQVCMBSA-N 1 3 310.482 2.818 20 0 DFADHO OCC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCCC1 ZINC000317378404 543075460 /nfs/dbraw/zinc/07/54/60/543075460.db2.gz JLYRYRXKAPNORE-UHFFFAOYSA-N 1 3 303.450 2.583 20 0 DFADHO COC1(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCOCC1 ZINC000368437999 292111057 /nfs/dbraw/zinc/11/10/57/292111057.db2.gz ISKWQRGHEOGZTO-GOSISDBHSA-N 1 3 324.509 2.626 20 0 DFADHO COC1(C[N@@H+]2CCC[C@H](CN3CCC(C)CC3)C2)CCOCC1 ZINC000368437999 292111059 /nfs/dbraw/zinc/11/10/59/292111059.db2.gz ISKWQRGHEOGZTO-GOSISDBHSA-N 1 3 324.509 2.626 20 0 DFADHO COC1(C[N@H+]2CCC[C@H](CN3CCC(C)CC3)C2)CCOCC1 ZINC000368437999 292111060 /nfs/dbraw/zinc/11/10/60/292111060.db2.gz ISKWQRGHEOGZTO-GOSISDBHSA-N 1 3 324.509 2.626 20 0 DFADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000353628856 543237196 /nfs/dbraw/zinc/23/71/96/543237196.db2.gz CNBYNPOHANALIR-ROUUACIJSA-N 1 3 317.477 2.502 20 0 DFADHO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000425331101 296567761 /nfs/dbraw/zinc/56/77/61/296567761.db2.gz AJIVLXXRWBAZCW-ROUUACIJSA-N 1 3 320.502 2.627 20 0 DFADHO CN(CCOCc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000384104367 543299334 /nfs/dbraw/zinc/29/93/34/543299334.db2.gz XVNBHXDWHXCOJN-UHFFFAOYSA-N 1 3 310.441 2.981 20 0 DFADHO C[C@H](CO[C@H]1CCOC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000166380558 145234148 /nfs/dbraw/zinc/23/41/48/145234148.db2.gz LFKIERCUDHZWLM-QAPCUYQASA-N 1 3 310.482 2.567 20 0 DFADHO CC(C)OCCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171501403 145268297 /nfs/dbraw/zinc/26/82/97/145268297.db2.gz JETWDHJYBRFXOU-CALCHBBNSA-N 1 3 312.498 2.623 20 0 DFADHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccncc1 ZINC000174252731 145374206 /nfs/dbraw/zinc/37/42/06/145374206.db2.gz ZKCBSGLOOFVELH-KRWDZBQOSA-N 1 3 316.493 2.683 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)Nc2ccc(CN(C)C)cc2F)CC[N@@H+]1C ZINC000633418090 399901308 /nfs/dbraw/zinc/90/13/08/399901308.db2.gz UHPCCSFVOWYHHV-XJKSGUPXSA-N 1 3 307.413 2.556 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)Nc2ccc(CN(C)C)cc2F)CC[N@H+]1C ZINC000633418090 399901310 /nfs/dbraw/zinc/90/13/10/399901310.db2.gz UHPCCSFVOWYHHV-XJKSGUPXSA-N 1 3 307.413 2.556 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000631108655 399982166 /nfs/dbraw/zinc/98/21/66/399982166.db2.gz DSAWZBZKPJCKID-MAUKXSAKSA-N 1 3 311.429 2.787 20 0 DFADHO C[C@H](NCc1ccc(=O)[nH]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000631108655 399982168 /nfs/dbraw/zinc/98/21/68/399982168.db2.gz DSAWZBZKPJCKID-MAUKXSAKSA-N 1 3 311.429 2.787 20 0 DFADHO C[C@H](NCc1ccc(=O)[nH]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631108655 399982170 /nfs/dbraw/zinc/98/21/70/399982170.db2.gz DSAWZBZKPJCKID-MAUKXSAKSA-N 1 3 311.429 2.787 20 0 DFADHO CCC1([NH+]2CCCC2)CCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000633954640 399965232 /nfs/dbraw/zinc/96/52/32/399965232.db2.gz VVQJNPZTYFELBM-IRXDYDNUSA-N 1 3 321.509 2.726 20 0 DFADHO O=c1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH]1 ZINC000631112832 399983019 /nfs/dbraw/zinc/98/30/19/399983019.db2.gz XZWDQJSGBHFGNS-IPMKNSEASA-N 1 3 323.440 2.787 20 0 DFADHO O=c1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH]1 ZINC000631112832 399983021 /nfs/dbraw/zinc/98/30/21/399983021.db2.gz XZWDQJSGBHFGNS-IPMKNSEASA-N 1 3 323.440 2.787 20 0 DFADHO O=c1ccc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c[nH]1 ZINC000631112832 399983022 /nfs/dbraw/zinc/98/30/22/399983022.db2.gz XZWDQJSGBHFGNS-IPMKNSEASA-N 1 3 323.440 2.787 20 0 DFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(=O)[nH]c1 ZINC000631082860 399977034 /nfs/dbraw/zinc/97/70/34/399977034.db2.gz IQGYBSMQQZBVRL-MAUKXSAKSA-N 1 3 311.429 2.787 20 0 DFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(=O)[nH]c1 ZINC000631082860 399977037 /nfs/dbraw/zinc/97/70/37/399977037.db2.gz IQGYBSMQQZBVRL-MAUKXSAKSA-N 1 3 311.429 2.787 20 0 DFADHO Brc1cnccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000631121004 399984770 /nfs/dbraw/zinc/98/47/70/399984770.db2.gz MYEDLZBPZQSZKX-UHFFFAOYSA-N 1 3 324.266 2.808 20 0 DFADHO Cc1ccc([C@H](C)C[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000628201713 400000671 /nfs/dbraw/zinc/00/06/71/400000671.db2.gz QPGLJTBOAPCELO-QGZVFWFLSA-N 1 3 303.494 2.714 20 0 DFADHO C[N@@H+]1CC[C@H](Nc2cccc(CN3CC[C@@H](O)C3)c2)CC1(C)C ZINC000628288532 400014261 /nfs/dbraw/zinc/01/42/61/400014261.db2.gz NAPRDOVHRIIJCD-ZWKOTPCHSA-N 1 3 317.477 2.538 20 0 DFADHO C[N@H+]1CC[C@H](Nc2cccc(CN3CC[C@@H](O)C3)c2)CC1(C)C ZINC000628288532 400014263 /nfs/dbraw/zinc/01/42/63/400014263.db2.gz NAPRDOVHRIIJCD-ZWKOTPCHSA-N 1 3 317.477 2.538 20 0 DFADHO C[N@@H+]1CC[C@H](Nc2cccc(CN3CC[C@H](O)C3)c2)CC1(C)C ZINC000628288531 400014397 /nfs/dbraw/zinc/01/43/97/400014397.db2.gz NAPRDOVHRIIJCD-ROUUACIJSA-N 1 3 317.477 2.538 20 0 DFADHO C[N@H+]1CC[C@H](Nc2cccc(CN3CC[C@H](O)C3)c2)CC1(C)C ZINC000628288531 400014399 /nfs/dbraw/zinc/01/43/99/400014399.db2.gz NAPRDOVHRIIJCD-ROUUACIJSA-N 1 3 317.477 2.538 20 0 DFADHO CCC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1cc(C)ccn1 ZINC000631565533 400051648 /nfs/dbraw/zinc/05/16/48/400051648.db2.gz GFPQNLACNRAAMT-SFHVURJKSA-N 1 3 318.509 2.848 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCOc3c(OC)cccc32)C1 ZINC000631570724 400052804 /nfs/dbraw/zinc/05/28/04/400052804.db2.gz XSZBEFRDTVRZPI-HOCLYGCPSA-N 1 3 304.434 2.840 20 0 DFADHO COCCC[NH+]1CCC(N[C@@H]2CCc3cc(OC)ccc32)CC1 ZINC000631575089 400053506 /nfs/dbraw/zinc/05/35/06/400053506.db2.gz QIPTXPGOSOYTHQ-LJQANCHMSA-N 1 3 318.461 2.773 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3ncccc32)C[C@@H](C)O1 ZINC000631596973 400056642 /nfs/dbraw/zinc/05/66/42/400056642.db2.gz ORTBXMQCLHMKTC-NUJGCVRESA-N 1 3 317.477 2.938 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC[C@H](O)C(F)F)CC2)C1 ZINC000631699500 400068178 /nfs/dbraw/zinc/06/81/78/400068178.db2.gz ZXSQDGFLSGJUEI-SNPRPXQTSA-N 1 3 304.425 2.635 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@H](O)C(F)F)CC2)C1 ZINC000631699500 400068179 /nfs/dbraw/zinc/06/81/79/400068179.db2.gz ZXSQDGFLSGJUEI-SNPRPXQTSA-N 1 3 304.425 2.635 20 0 DFADHO CC(C)[C@H]1CN([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCN1C ZINC000631794099 400075940 /nfs/dbraw/zinc/07/59/40/400075940.db2.gz RMGGTNJQOOVMQP-SXLOBPIMSA-N 1 3 315.505 2.779 20 0 DFADHO CC(C)[C@H]1CN([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCN1C ZINC000631794099 400075941 /nfs/dbraw/zinc/07/59/41/400075941.db2.gz RMGGTNJQOOVMQP-SXLOBPIMSA-N 1 3 315.505 2.779 20 0 DFADHO CC(C)[C@H]1CN([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCN1C ZINC000631794093 400075989 /nfs/dbraw/zinc/07/59/89/400075989.db2.gz RMGGTNJQOOVMQP-DFQSSKMNSA-N 1 3 315.505 2.779 20 0 DFADHO CC(C)[C@H]1CN([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCN1C ZINC000631794093 400075990 /nfs/dbraw/zinc/07/59/90/400075990.db2.gz RMGGTNJQOOVMQP-DFQSSKMNSA-N 1 3 315.505 2.779 20 0 DFADHO Cc1cc(C)c(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(C)n1 ZINC000631828323 400078141 /nfs/dbraw/zinc/07/81/41/400078141.db2.gz LPULEUUONVSMSC-RBUKOAKNSA-N 1 3 317.477 2.725 20 0 DFADHO Cc1cc(C)c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(C)n1 ZINC000631830223 400078319 /nfs/dbraw/zinc/07/83/19/400078319.db2.gz MPPQDGXGFAVNES-GOSISDBHSA-N 1 3 317.477 2.597 20 0 DFADHO C[NH+]1CCC(C)(CNCc2ccc(Br)cn2)CC1 ZINC000227328935 146005945 /nfs/dbraw/zinc/00/59/45/146005945.db2.gz HYPYHHWLKKMEFB-UHFFFAOYSA-N 1 3 312.255 2.666 20 0 DFADHO C[NH+](C)CCOCCNCc1ccc(F)c(C(F)(F)F)c1 ZINC000231675938 146016552 /nfs/dbraw/zinc/01/65/52/146016552.db2.gz GYOQEUIEFHTIBZ-UHFFFAOYSA-N 1 3 308.319 2.512 20 0 DFADHO CCCC[C@@H](N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000236707893 146024743 /nfs/dbraw/zinc/02/47/43/146024743.db2.gz DXUNTXRYHSLJTP-QGZVFWFLSA-N 1 3 309.498 2.619 20 0 DFADHO CCCC[C@@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000236707893 146024745 /nfs/dbraw/zinc/02/47/45/146024745.db2.gz DXUNTXRYHSLJTP-QGZVFWFLSA-N 1 3 309.498 2.619 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245415622 146067853 /nfs/dbraw/zinc/06/78/53/146067853.db2.gz DJOXYJKVXMNMMN-YJBOKZPZSA-N 1 3 306.450 2.736 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245415622 146067855 /nfs/dbraw/zinc/06/78/55/146067855.db2.gz DJOXYJKVXMNMMN-YJBOKZPZSA-N 1 3 306.450 2.736 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H]2COC3(CCCCCC3)O2)[C@@H](C)C1 ZINC000245559492 146084016 /nfs/dbraw/zinc/08/40/16/146084016.db2.gz IEWSMTKMAHNYPT-ULQDDVLXSA-N 1 3 310.482 2.772 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H]2COC3(CCCCCC3)O2)[C@@H](C)C1 ZINC000245559492 146084019 /nfs/dbraw/zinc/08/40/19/146084019.db2.gz IEWSMTKMAHNYPT-ULQDDVLXSA-N 1 3 310.482 2.772 20 0 DFADHO Cc1nccn1CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000245696809 146094056 /nfs/dbraw/zinc/09/40/56/146094056.db2.gz QYZCLNBTVIDOQK-PKOBYXMFSA-N 1 3 316.493 2.920 20 0 DFADHO Cc1nccn1CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000245696809 146094060 /nfs/dbraw/zinc/09/40/60/146094060.db2.gz QYZCLNBTVIDOQK-PKOBYXMFSA-N 1 3 316.493 2.920 20 0 DFADHO Cc1nccn1CCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245696809 146094063 /nfs/dbraw/zinc/09/40/63/146094063.db2.gz QYZCLNBTVIDOQK-PKOBYXMFSA-N 1 3 316.493 2.920 20 0 DFADHO Cc1nccn1CCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245696809 146094067 /nfs/dbraw/zinc/09/40/67/146094067.db2.gz QYZCLNBTVIDOQK-PKOBYXMFSA-N 1 3 316.493 2.920 20 0 DFADHO CN(C)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245744280 146099406 /nfs/dbraw/zinc/09/94/06/146099406.db2.gz SESOHOMVQCOFPK-REPLKXPHSA-N 1 3 301.478 2.723 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000245750980 146099606 /nfs/dbraw/zinc/09/96/06/146099606.db2.gz YSPSOPZFQDKLMQ-PKOBYXMFSA-N 1 3 301.478 2.677 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CCN1CC[C@H]1CCC[N@H+]1C ZINC000245750980 146099610 /nfs/dbraw/zinc/09/96/10/146099610.db2.gz YSPSOPZFQDKLMQ-PKOBYXMFSA-N 1 3 301.478 2.677 20 0 DFADHO COCC[C@@H](C)[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000446786447 543360209 /nfs/dbraw/zinc/36/02/09/543360209.db2.gz UPEFYFIYWOXLNH-ZACQAIPSSA-N 1 3 312.498 2.623 20 0 DFADHO C[C@@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000247075750 146159981 /nfs/dbraw/zinc/15/99/81/146159981.db2.gz QLWADWUUINJXJH-PDOICOKGSA-N 1 3 315.505 2.752 20 0 DFADHO C[C@@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000247075750 146159986 /nfs/dbraw/zinc/15/99/86/146159986.db2.gz QLWADWUUINJXJH-PDOICOKGSA-N 1 3 315.505 2.752 20 0 DFADHO C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CN1Cc1ccccc1 ZINC000249031025 146183034 /nfs/dbraw/zinc/18/30/34/146183034.db2.gz RCRABHYFWIYBCA-VAKYOOAGSA-N 1 3 313.489 2.864 20 0 DFADHO C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000249031025 146183038 /nfs/dbraw/zinc/18/30/38/146183038.db2.gz RCRABHYFWIYBCA-VAKYOOAGSA-N 1 3 313.489 2.864 20 0 DFADHO C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000249031025 146183042 /nfs/dbraw/zinc/18/30/42/146183042.db2.gz RCRABHYFWIYBCA-VAKYOOAGSA-N 1 3 313.489 2.864 20 0 DFADHO c1ccc(-c2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000261631134 146249362 /nfs/dbraw/zinc/24/93/62/146249362.db2.gz HHXKLIDXEKVANB-NRFANRHFSA-N 1 3 321.468 2.833 20 0 DFADHO NC[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1c1ccccc1 ZINC000261627500 146249751 /nfs/dbraw/zinc/24/97/51/146249751.db2.gz DNHBPEAYTIYDFD-UXHICEINSA-N 1 3 322.452 2.838 20 0 DFADHO NC[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1c1ccccc1 ZINC000261627500 146249752 /nfs/dbraw/zinc/24/97/52/146249752.db2.gz DNHBPEAYTIYDFD-UXHICEINSA-N 1 3 322.452 2.838 20 0 DFADHO [NH3+]C[C@@H]1CN(CCc2ccc3c(c2)CCO3)C[C@H]1c1ccccc1 ZINC000261627500 146249753 /nfs/dbraw/zinc/24/97/53/146249753.db2.gz DNHBPEAYTIYDFD-UXHICEINSA-N 1 3 322.452 2.838 20 0 DFADHO c1cc2c(cc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)OCCO2 ZINC000261752559 146270314 /nfs/dbraw/zinc/27/03/14/146270314.db2.gz PCPXVPFBINSVQU-GVDBMIGSSA-N 1 3 316.445 2.511 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(c2ccccn2)CC1 ZINC000261762156 146272239 /nfs/dbraw/zinc/27/22/39/146272239.db2.gz PYSXJHMAAWRXNF-AEFFLSMTSA-N 1 3 316.493 2.951 20 0 DFADHO CC(=O)Nc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261809042 146279908 /nfs/dbraw/zinc/27/99/08/146279908.db2.gz WSHKDFHAQDKOLY-QUCCMNQESA-N 1 3 323.440 2.819 20 0 DFADHO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1 ZINC000261809042 146279911 /nfs/dbraw/zinc/27/99/11/146279911.db2.gz WSHKDFHAQDKOLY-QUCCMNQESA-N 1 3 323.440 2.819 20 0 DFADHO CC(=O)Nc1ccc(C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1 ZINC000261809042 146279913 /nfs/dbraw/zinc/27/99/13/146279913.db2.gz WSHKDFHAQDKOLY-QUCCMNQESA-N 1 3 323.440 2.819 20 0 DFADHO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000261907587 146298596 /nfs/dbraw/zinc/29/85/96/146298596.db2.gz HEWGKWQTURGZSW-WBVHZDCISA-N 1 3 317.477 2.703 20 0 DFADHO CC[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261954904 146309001 /nfs/dbraw/zinc/30/90/01/146309001.db2.gz OLOLVOMQUFAIRX-RTBURBONSA-N 1 3 301.478 2.582 20 0 DFADHO COc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1OC ZINC000261982443 146315981 /nfs/dbraw/zinc/31/59/81/146315981.db2.gz ROPNAJRWMCTWTO-MRXNPFEDSA-N 1 3 304.434 2.668 20 0 DFADHO Cc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000261981119 146316145 /nfs/dbraw/zinc/31/61/45/146316145.db2.gz RIUCLQVAXSDWOA-KFKAGJAMSA-N 1 3 324.472 2.955 20 0 DFADHO CCC[C@](C)(N)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000262573684 146374300 /nfs/dbraw/zinc/37/43/00/146374300.db2.gz NOMFDBCGHJDATO-HTWSVDAQSA-N 1 3 309.498 2.663 20 0 DFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)C1(N)CCCC1)c1ccccc1 ZINC000262638678 146379601 /nfs/dbraw/zinc/37/96/01/146379601.db2.gz JETQGNCTOSKYCY-AWEZNQCLSA-N 1 3 303.450 2.504 20 0 DFADHO C[C@@H](NCCCC[NH+](C)C)c1ccc(Br)cn1 ZINC000519259674 543426224 /nfs/dbraw/zinc/42/62/24/543426224.db2.gz LXDDQIWASHLBHB-LLVKDONJSA-N 1 3 300.244 2.837 20 0 DFADHO C[C@H](C(=O)NCCCCC[NH+]1CCCC1)N1[C@H](C)CC[C@H]1C ZINC000357090523 147857264 /nfs/dbraw/zinc/85/72/64/147857264.db2.gz RZJNRWUWQDTQLR-BRWVUGGUSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@](O)(CNCc1cc(C2CC[NH2+]CC2)no1)C1CCCCC1 ZINC000425896709 296603139 /nfs/dbraw/zinc/60/31/39/296603139.db2.gz QEKCPBXROPQVJK-GOSISDBHSA-N 1 3 321.465 2.563 20 0 DFADHO c1c(CNCCCOC2CCCC2)onc1C1CC[NH2+]CC1 ZINC000425904297 296604002 /nfs/dbraw/zinc/60/40/02/296604002.db2.gz YDQMNHBKSLZXQF-UHFFFAOYSA-N 1 3 307.438 2.581 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ccccc2O)[C@@H](C)C1 ZINC000358209388 148286293 /nfs/dbraw/zinc/28/62/93/148286293.db2.gz WUSTUDCSMSBOFL-FUHWJXTLSA-N 1 3 320.477 2.661 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ccccc2O)[C@@H](C)C1 ZINC000358209388 148286294 /nfs/dbraw/zinc/28/62/94/148286294.db2.gz WUSTUDCSMSBOFL-FUHWJXTLSA-N 1 3 320.477 2.661 20 0 DFADHO Cc1cnc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000358363215 148342577 /nfs/dbraw/zinc/34/25/77/148342577.db2.gz GKJCZWDYBHJGAK-IEBWSBKVSA-N 1 3 324.472 2.970 20 0 DFADHO Cc1cnc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000358363215 148342581 /nfs/dbraw/zinc/34/25/81/148342581.db2.gz GKJCZWDYBHJGAK-IEBWSBKVSA-N 1 3 324.472 2.970 20 0 DFADHO Cc1cc(F)c(CN[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(F)c1 ZINC000643760381 543505453 /nfs/dbraw/zinc/50/54/53/543505453.db2.gz OCVIOWQAHCJDQF-CQSZACIVSA-N 1 3 323.431 2.531 20 0 DFADHO Cc1cc(F)c(CN[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(F)c1 ZINC000643760381 543505456 /nfs/dbraw/zinc/50/54/56/543505456.db2.gz OCVIOWQAHCJDQF-CQSZACIVSA-N 1 3 323.431 2.531 20 0 DFADHO CCCN(C)CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358453313 148364934 /nfs/dbraw/zinc/36/49/34/148364934.db2.gz WBCXDNGQDMCSMR-KRWDZBQOSA-N 1 3 323.525 2.831 20 0 DFADHO CCCN(C)CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358453313 148364938 /nfs/dbraw/zinc/36/49/38/148364938.db2.gz WBCXDNGQDMCSMR-KRWDZBQOSA-N 1 3 323.525 2.831 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccncc1 ZINC000350513135 286053863 /nfs/dbraw/zinc/05/38/63/286053863.db2.gz KDCVATZDGNYXDI-MRXNPFEDSA-N 1 3 313.445 2.915 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@@H]3CCC[C@H]([NH3+])C3)n2)cc1 ZINC000350723899 286077631 /nfs/dbraw/zinc/07/76/31/286077631.db2.gz FXYAMJZSKRSSBJ-CABCVRRESA-N 1 3 300.406 2.783 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000361067713 149022294 /nfs/dbraw/zinc/02/22/94/149022294.db2.gz JJJOXOGNWUIQOM-NVXWUHKLSA-N 1 3 317.477 2.514 20 0 DFADHO COCCNc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000361183959 149049228 /nfs/dbraw/zinc/04/92/28/149049228.db2.gz HMBLZWLUMOKWCD-HDMKZQKVSA-N 1 3 305.466 2.563 20 0 DFADHO COCCNc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000361183959 149049231 /nfs/dbraw/zinc/04/92/31/149049231.db2.gz HMBLZWLUMOKWCD-HDMKZQKVSA-N 1 3 305.466 2.563 20 0 DFADHO C[C@@H]1CN([C@@H]2C[C@H]2c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000361348299 149093686 /nfs/dbraw/zinc/09/36/86/149093686.db2.gz JIDJWBGVDUFDBL-BTHPGYMESA-N 1 3 313.489 2.500 20 0 DFADHO CC(C)(CNC(=O)[C@H]1CCCN1C1CCCC1)C[NH+]1CCCC1 ZINC000361384489 149100779 /nfs/dbraw/zinc/10/07/79/149100779.db2.gz KRZZGXRIQTVBNQ-QGZVFWFLSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(OCCN(C)C)cc1 ZINC000361387221 149102360 /nfs/dbraw/zinc/10/23/60/149102360.db2.gz USIGQLNVMIJXEM-MAUKXSAKSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N(C)C ZINC000361419680 149109710 /nfs/dbraw/zinc/10/97/10/149109710.db2.gz GLBOTTQYLKHEDJ-BPIHKTFHSA-N 1 3 301.478 2.722 20 0 DFADHO C[C@@H]1C[C@H](N[C@H](CO)CC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000361435396 149114548 /nfs/dbraw/zinc/11/45/48/149114548.db2.gz LNABFJPLRMGAIG-BMFZPTHFSA-N 1 3 312.404 2.645 20 0 DFADHO C[C@@H]1C[C@H](N[C@H](CO)CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000361435396 149114551 /nfs/dbraw/zinc/11/45/51/149114551.db2.gz LNABFJPLRMGAIG-BMFZPTHFSA-N 1 3 312.404 2.645 20 0 DFADHO CCC[C@](C)(N)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000361729370 149203430 /nfs/dbraw/zinc/20/34/30/149203430.db2.gz RPRWRULRAZQHDG-SFHVURJKSA-N 1 3 309.498 2.665 20 0 DFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000361763747 149212700 /nfs/dbraw/zinc/21/27/00/149212700.db2.gz FWUCONMAEXGCKM-SOLBZPMBSA-N 1 3 317.477 2.657 20 0 DFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000361763747 149212704 /nfs/dbraw/zinc/21/27/04/149212704.db2.gz FWUCONMAEXGCKM-SOLBZPMBSA-N 1 3 317.477 2.657 20 0 DFADHO CCSc1ccccc1[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000361878075 149243235 /nfs/dbraw/zinc/24/32/35/149243235.db2.gz XHIKRQRQQFUJPA-AWEZNQCLSA-N 1 3 308.491 2.906 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)c(Cl)c1 ZINC000361881792 149244957 /nfs/dbraw/zinc/24/49/57/149244957.db2.gz WSXRSSVCBAYFIF-LLVKDONJSA-N 1 3 300.805 2.586 20 0 DFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CC2CCN(C)CC2)C1 ZINC000362669182 149338175 /nfs/dbraw/zinc/33/81/75/149338175.db2.gz UHTKWDQGAIPKMM-NUJGCVRESA-N 1 3 321.509 2.582 20 0 DFADHO CN1CCCC[C@@H]1CC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000351422005 286125990 /nfs/dbraw/zinc/12/59/90/286125990.db2.gz TYDNTJCLXIPCOG-MRXNPFEDSA-N 1 3 303.450 2.799 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(OCC(F)(F)F)c3)C[C@@H]12 ZINC000351472249 286128540 /nfs/dbraw/zinc/12/85/40/286128540.db2.gz AHTUXBPBOLYIDR-NWANDNLSSA-N 1 3 314.351 2.797 20 0 DFADHO Cc1ccnc(NC[C@@H]2CCN(CCC[NH+]3CCCC3)C2)c1 ZINC000371203549 150002770 /nfs/dbraw/zinc/00/27/70/150002770.db2.gz BFRSPMIIPZLWAE-KRWDZBQOSA-N 1 3 302.466 2.610 20 0 DFADHO Cc1ccnc(NC[C@@H]2CC[N@H+](CCCN3CCCC3)C2)c1 ZINC000371203549 150002776 /nfs/dbraw/zinc/00/27/76/150002776.db2.gz BFRSPMIIPZLWAE-KRWDZBQOSA-N 1 3 302.466 2.610 20 0 DFADHO Cc1ccnc(NC[C@@H]2CC[N@@H+](CCCN3CCCC3)C2)c1 ZINC000371203549 150002779 /nfs/dbraw/zinc/00/27/79/150002779.db2.gz BFRSPMIIPZLWAE-KRWDZBQOSA-N 1 3 302.466 2.610 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H]3CCCCCC[C@H]32)CC1 ZINC000371208183 150004135 /nfs/dbraw/zinc/00/41/35/150004135.db2.gz HBIKFXLIKFTZQE-SJLPKXTDSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCc4nccn4C3)CC2)C1 ZINC000371482577 150054045 /nfs/dbraw/zinc/05/40/45/150054045.db2.gz YZVTUKNCEDUYRH-NJAFHUGGSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCc4nccn4C3)CC2)C1 ZINC000371482577 150054051 /nfs/dbraw/zinc/05/40/51/150054051.db2.gz YZVTUKNCEDUYRH-NJAFHUGGSA-N 1 3 316.493 2.831 20 0 DFADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000371569941 150066952 /nfs/dbraw/zinc/06/69/52/150066952.db2.gz CKCDPWZIZHUFTD-HNNXBMFYSA-N 1 3 322.522 2.822 20 0 DFADHO CN1CC[NH+](CC2(C)CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000371779311 150094156 /nfs/dbraw/zinc/09/41/56/150094156.db2.gz YMZMQKRCWDIACL-UHFFFAOYSA-N 1 3 319.468 2.675 20 0 DFADHO O=C(Nc1cccc(CN2CCCCC2)c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000372433014 150172961 /nfs/dbraw/zinc/17/29/61/150172961.db2.gz ZNUOQHUQTCTAKR-IEBWSBKVSA-N 1 3 313.445 2.611 20 0 DFADHO CCCC[N@H+](C)CC1CCN(CCc2ccnn2CC)CC1 ZINC000351609426 286167923 /nfs/dbraw/zinc/16/79/23/286167923.db2.gz ROPSUPRYIMXAIQ-UHFFFAOYSA-N 1 3 306.498 2.889 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(CCc2ccnn2CC)CC1 ZINC000351609426 286167924 /nfs/dbraw/zinc/16/79/24/286167924.db2.gz ROPSUPRYIMXAIQ-UHFFFAOYSA-N 1 3 306.498 2.889 20 0 DFADHO C[C@H]1CN(C/C=C/c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000373175876 150241689 /nfs/dbraw/zinc/24/16/89/150241689.db2.gz IWMWECCTRKOCJI-YOCVDRLZSA-N 1 3 313.489 2.800 20 0 DFADHO CCn1cc(CN2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cn1 ZINC000374283006 150335472 /nfs/dbraw/zinc/33/54/72/150335472.db2.gz KPCZHQRCGMTQNB-INIZCTEOSA-N 1 3 302.466 2.599 20 0 DFADHO CCn1cc(CN2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)cn1 ZINC000374283006 150335474 /nfs/dbraw/zinc/33/54/74/150335474.db2.gz KPCZHQRCGMTQNB-INIZCTEOSA-N 1 3 302.466 2.599 20 0 DFADHO Cc1ccc(C)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000374431190 150366834 /nfs/dbraw/zinc/36/68/34/150366834.db2.gz WKVUNZDEUYDTTR-IPMKNSEASA-N 1 3 302.462 2.987 20 0 DFADHO Cc1cccc(C2(NC[C@H](O)C[N@@H+](C)C3CC3)CCCC2)c1 ZINC000351714386 286200858 /nfs/dbraw/zinc/20/08/58/286200858.db2.gz CYUORCBIWZBXIZ-SFHVURJKSA-N 1 3 302.462 2.809 20 0 DFADHO Cc1cccc(C2(NC[C@H](O)C[N@H+](C)C3CC3)CCCC2)c1 ZINC000351714386 286200860 /nfs/dbraw/zinc/20/08/60/286200860.db2.gz CYUORCBIWZBXIZ-SFHVURJKSA-N 1 3 302.462 2.809 20 0 DFADHO C[N@H+](C[C@@H](O)CNC1(c2ccccc2)CCCCC1)C1CC1 ZINC000351713401 286200642 /nfs/dbraw/zinc/20/06/42/286200642.db2.gz UJYRMQSSWFUGDQ-SFHVURJKSA-N 1 3 302.462 2.891 20 0 DFADHO C[N@@H+](C[C@@H](O)CNC1(c2ccccc2)CCCCC1)C1CC1 ZINC000351713401 286200644 /nfs/dbraw/zinc/20/06/44/286200644.db2.gz UJYRMQSSWFUGDQ-SFHVURJKSA-N 1 3 302.462 2.891 20 0 DFADHO C[N@H+](C[C@@H](O)CN1C[C@@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722078 286202609 /nfs/dbraw/zinc/20/26/09/286202609.db2.gz WERISGAREPLMFH-MSOLQXFVSA-N 1 3 302.462 2.567 20 0 DFADHO C[N@@H+](C[C@@H](O)CN1C[C@@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722078 286202611 /nfs/dbraw/zinc/20/26/11/286202611.db2.gz WERISGAREPLMFH-MSOLQXFVSA-N 1 3 302.462 2.567 20 0 DFADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000351779659 286216810 /nfs/dbraw/zinc/21/68/10/286216810.db2.gz CFGOZUWLPKICST-ULQDDVLXSA-N 1 3 309.498 2.582 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1CCCC[C@@H]1CC[NH3+] ZINC000352487242 286386006 /nfs/dbraw/zinc/38/60/06/286386006.db2.gz BOJLPGIPOGUFEA-CQSZACIVSA-N 1 3 307.413 2.666 20 0 DFADHO C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1cccc(OCCN(C)C)c1 ZINC000353489792 286661742 /nfs/dbraw/zinc/66/17/42/286661742.db2.gz JYRZATCEKPUJGW-DNVCBOLYSA-N 1 3 320.477 2.829 20 0 DFADHO COc1ccc(COCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000246363686 158089273 /nfs/dbraw/zinc/08/92/73/158089273.db2.gz XQJSLOFJDCDBOI-RLFYNMQTSA-N 1 3 306.450 2.530 20 0 DFADHO COc1ccc(COCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000246363686 158089274 /nfs/dbraw/zinc/08/92/74/158089274.db2.gz XQJSLOFJDCDBOI-RLFYNMQTSA-N 1 3 306.450 2.530 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@H]1CCOC1 ZINC000247022679 158114082 /nfs/dbraw/zinc/11/40/82/158114082.db2.gz NADBBPJWJOTMEA-UHOSZYNNSA-N 1 3 302.462 2.566 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CCN1C ZINC000247044983 158116652 /nfs/dbraw/zinc/11/66/52/158116652.db2.gz OMKJHVPGSQIKQY-MISYRCLQSA-N 1 3 315.505 2.623 20 0 DFADHO CCCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c1 ZINC000247050566 158116831 /nfs/dbraw/zinc/11/68/31/158116831.db2.gz NGTCSEYBRAJSQS-RVKKMQEKSA-N 1 3 317.477 2.645 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](c2cccc(OC)c2)N(C)C)[C@H](C)C1 ZINC000247889639 158152092 /nfs/dbraw/zinc/15/20/92/158152092.db2.gz FBOUMTGUAIKONO-AYOQOUSVSA-N 1 3 319.493 2.618 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](c2cccc(OC)c2)N(C)C)[C@H](C)C1 ZINC000247889639 158152093 /nfs/dbraw/zinc/15/20/93/158152093.db2.gz FBOUMTGUAIKONO-AYOQOUSVSA-N 1 3 319.493 2.618 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H](c2cccc(OC)c2)N(C)C)[C@H](C)C1 ZINC000247889639 158152095 /nfs/dbraw/zinc/15/20/95/158152095.db2.gz FBOUMTGUAIKONO-AYOQOUSVSA-N 1 3 319.493 2.618 20 0 DFADHO COCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248401879 158172119 /nfs/dbraw/zinc/17/21/19/158172119.db2.gz MGILUHUJROSGMX-GUDVDZBRSA-N 1 3 302.462 2.913 20 0 DFADHO CC[C@H](COC)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248420522 158175304 /nfs/dbraw/zinc/17/53/04/158175304.db2.gz XCVPNHCBSZQBKS-WJFTUGDTSA-N 1 3 302.462 2.912 20 0 DFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CCCC1 ZINC000248463185 158178677 /nfs/dbraw/zinc/17/86/77/158178677.db2.gz YSBSZJQPUZGYJH-DNVCBOLYSA-N 1 3 302.462 2.922 20 0 DFADHO CN(CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)Cc1ccc(F)cc1 ZINC000248543388 158182408 /nfs/dbraw/zinc/18/24/08/158182408.db2.gz DANRBUAGTDNIAP-PKOBYXMFSA-N 1 3 319.468 2.674 20 0 DFADHO CN(CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)Cc1ccc(F)cc1 ZINC000248543388 158182410 /nfs/dbraw/zinc/18/24/10/158182410.db2.gz DANRBUAGTDNIAP-PKOBYXMFSA-N 1 3 319.468 2.674 20 0 DFADHO C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248742923 158199492 /nfs/dbraw/zinc/19/94/92/158199492.db2.gz ALQSMHUSKAKZTP-CZLXLUGWSA-N 1 3 306.425 2.853 20 0 DFADHO C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248742923 158199493 /nfs/dbraw/zinc/19/94/93/158199493.db2.gz ALQSMHUSKAKZTP-CZLXLUGWSA-N 1 3 306.425 2.853 20 0 DFADHO C[C@@H](O)[C@@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000248755870 158200826 /nfs/dbraw/zinc/20/08/26/158200826.db2.gz CQPBSZMDDBEHBO-MNIJEXPFSA-N 1 3 316.489 2.831 20 0 DFADHO C[C@@H](O)[C@@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000248755870 158200828 /nfs/dbraw/zinc/20/08/28/158200828.db2.gz CQPBSZMDDBEHBO-MNIJEXPFSA-N 1 3 316.489 2.831 20 0 DFADHO CCN(CCn1ccnc1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355028828 158256440 /nfs/dbraw/zinc/25/64/40/158256440.db2.gz SQTDMPZKYVNKEL-IBGZPJMESA-N 1 3 312.461 2.788 20 0 DFADHO CCN(CCn1ccnc1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355028828 158256442 /nfs/dbraw/zinc/25/64/42/158256442.db2.gz SQTDMPZKYVNKEL-IBGZPJMESA-N 1 3 312.461 2.788 20 0 DFADHO CC[C@@H](C(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1)N(C)C ZINC000356892959 158318667 /nfs/dbraw/zinc/31/86/67/158318667.db2.gz KJOQKYBRWFCPAQ-SFHVURJKSA-N 1 3 323.525 2.687 20 0 DFADHO CC[C@@H](C(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1)N(C)C ZINC000356892959 158318669 /nfs/dbraw/zinc/31/86/69/158318669.db2.gz KJOQKYBRWFCPAQ-SFHVURJKSA-N 1 3 323.525 2.687 20 0 DFADHO c1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)n(-c2ccccc2)n1 ZINC000357046133 158355890 /nfs/dbraw/zinc/35/58/90/158355890.db2.gz INOQGCCADXGNBT-QGZVFWFLSA-N 1 3 310.445 2.694 20 0 DFADHO C[C@H](CC[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1 ZINC000375716547 158854637 /nfs/dbraw/zinc/85/46/37/158854637.db2.gz CKFLSFVZGFBTRO-MJGOQNOKSA-N 1 3 315.505 2.938 20 0 DFADHO CN(C)[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])c1ccccc1 ZINC000430856130 296809461 /nfs/dbraw/zinc/80/94/61/296809461.db2.gz YWJGZPXPOBQQDP-RCCFBDPRSA-N 1 3 317.477 2.703 20 0 DFADHO c1nc(-c2ccncc2)sc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430930943 296812667 /nfs/dbraw/zinc/81/26/67/296812667.db2.gz ANNYHTZGRCKEOQ-UHFFFAOYSA-N 1 3 314.458 2.781 20 0 DFADHO CN(Cc1cnn(Cc2ccccc2)c1)CC1CC[NH+](C)CC1 ZINC000131929368 196210594 /nfs/dbraw/zinc/21/05/94/196210594.db2.gz CTBLNTFCDOWHTD-UHFFFAOYSA-N 1 3 312.461 2.705 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCNC1 ZINC000132093997 196226208 /nfs/dbraw/zinc/22/62/08/196226208.db2.gz CFQPNFVOIAFCOI-TZMCWYRMSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000132093997 196226211 /nfs/dbraw/zinc/22/62/11/196226211.db2.gz CFQPNFVOIAFCOI-TZMCWYRMSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H](CSC(C)(C)C)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132958392 196299442 /nfs/dbraw/zinc/29/94/42/196299442.db2.gz JKDNDHAYMFYSPT-HUUCEWRRSA-N 1 3 314.539 2.997 20 0 DFADHO CN(C)[C@@H](CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000433360433 296909169 /nfs/dbraw/zinc/90/91/69/296909169.db2.gz FZHWRKWGMDLPJN-KSZLIROESA-N 1 3 317.477 2.668 20 0 DFADHO c1ccc(CC[N@@H+]2CC[C@H](CN[C@@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000667835056 543689008 /nfs/dbraw/zinc/68/90/08/543689008.db2.gz HKRMOLYWKIMIKW-HOJAQTOUSA-N 1 3 314.473 2.708 20 0 DFADHO c1ccc(CC[N@H+]2CC[C@H](CN[C@@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000667835056 543689011 /nfs/dbraw/zinc/68/90/11/543689011.db2.gz HKRMOLYWKIMIKW-HOJAQTOUSA-N 1 3 314.473 2.708 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)C1 ZINC000668489011 543814296 /nfs/dbraw/zinc/81/42/96/543814296.db2.gz JBPZBOJLFPTPRG-YDZRNGNQSA-N 1 3 300.446 2.531 20 0 DFADHO CCn1nccc1[C@@H]1OCC[C@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000668655915 543842549 /nfs/dbraw/zinc/84/25/49/543842549.db2.gz WZEVMYHDIFPHFE-NVXWUHKLSA-N 1 3 320.481 2.586 20 0 DFADHO COCC1(NCc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000671196012 544060073 /nfs/dbraw/zinc/06/00/73/544060073.db2.gz FDCBZHFSRAYFIP-UHFFFAOYSA-N 1 3 318.461 2.820 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@@]3(CCN([C@@H]4CCCOC4)C3)C2)cc1 ZINC000671723619 544102278 /nfs/dbraw/zinc/10/22/78/544102278.db2.gz PATLCQQXLIKGTR-RTBURBONSA-N 1 3 300.446 2.763 20 0 DFADHO c1ccc(C[N@H+]2CC[C@@]3(CCN([C@@H]4CCCOC4)C3)C2)cc1 ZINC000671723619 544102282 /nfs/dbraw/zinc/10/22/82/544102282.db2.gz PATLCQQXLIKGTR-RTBURBONSA-N 1 3 300.446 2.763 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671750352 544106605 /nfs/dbraw/zinc/10/66/05/544106605.db2.gz SQJDRIMKCUPUQC-GXTWGEPZSA-N 1 3 321.421 2.541 20 0 DFADHO CSC1(CNCc2ccncc2OCCC[NH+](C)C)CCC1 ZINC000291455263 222399973 /nfs/dbraw/zinc/39/99/73/222399973.db2.gz CTPUIYHWAPTZRB-UHFFFAOYSA-N 1 3 323.506 2.787 20 0 DFADHO COc1cccc([C@H](C)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000674049783 544216248 /nfs/dbraw/zinc/21/62/48/544216248.db2.gz ZKGIJSZORMWVCG-KXBFYZLASA-N 1 3 318.461 2.989 20 0 DFADHO CCN1C[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000674824592 544264371 /nfs/dbraw/zinc/26/43/71/544264371.db2.gz AJSWOOQQHZPZGY-MAUKXSAKSA-N 1 3 317.477 2.598 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C)nc2)[C@@H](C)C1 ZINC000675750833 544333762 /nfs/dbraw/zinc/33/37/62/544333762.db2.gz JPAMXQAQVQTEMY-MAUKXSAKSA-N 1 3 305.466 2.617 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cccc(OCCN(C)C)c1 ZINC000675766217 544334636 /nfs/dbraw/zinc/33/46/36/544334636.db2.gz FFNIHHJTETZGJJ-USXIJHARSA-N 1 3 306.450 2.581 20 0 DFADHO Cn1ccnc1C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000676160282 544360456 /nfs/dbraw/zinc/36/04/56/544360456.db2.gz JQAAPFVDHVNTMM-LJQANCHMSA-N 1 3 324.472 2.920 20 0 DFADHO Cc1nc([C@H](C)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C)s1 ZINC000676489005 544379407 /nfs/dbraw/zinc/37/94/07/544379407.db2.gz GUSVFLPHEAMKQT-WFASDCNBSA-N 1 3 322.522 2.579 20 0 DFADHO Cc1nc([C@H](C)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C)s1 ZINC000676489005 544379408 /nfs/dbraw/zinc/37/94/08/544379408.db2.gz GUSVFLPHEAMKQT-WFASDCNBSA-N 1 3 322.522 2.579 20 0 DFADHO CC1(C)C[C@H]([NH2+][C@H]2CCc3cn[nH]c3C2)CN1Cc1ccccc1 ZINC000677749629 544536623 /nfs/dbraw/zinc/53/66/23/544536623.db2.gz LUQJSVKBQAQCKG-ROUUACIJSA-N 1 3 324.472 2.910 20 0 DFADHO O[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000298156905 228386888 /nfs/dbraw/zinc/38/68/88/228386888.db2.gz SBNBGXHCSQYHLX-SFHVURJKSA-N 1 3 315.392 2.513 20 0 DFADHO CC[C@@H](C[NH2+]CCCN1CCCN(C)CC1)c1ccccc1 ZINC000678074326 544594834 /nfs/dbraw/zinc/59/48/34/544594834.db2.gz GAWRSOSENCVIMV-SFHVURJKSA-N 1 3 303.494 2.797 20 0 DFADHO c1ccc2c(c1)n[nH]c2C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000678500678 544684448 /nfs/dbraw/zinc/68/44/48/544684448.db2.gz VOHHQBVFTPQIPG-UHFFFAOYSA-N 1 3 321.428 2.964 20 0 DFADHO CCN1C[C@H]([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)[C@@H](C)C1 ZINC000679075294 544780137 /nfs/dbraw/zinc/78/01/37/544780137.db2.gz IIGAJHWFYFHXSX-FCEWJHQRSA-N 1 3 319.493 2.618 20 0 DFADHO OCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000679722211 544905574 /nfs/dbraw/zinc/90/55/74/544905574.db2.gz ZBWIKNPQLNXLKG-GUDVDZBRSA-N 1 3 314.473 2.649 20 0 DFADHO CO[C@@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000680004034 544942058 /nfs/dbraw/zinc/94/20/58/544942058.db2.gz VSILNMXDBNOGJV-QGZVFWFLSA-N 1 3 306.450 2.628 20 0 DFADHO CO[C@@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000680004034 544942063 /nfs/dbraw/zinc/94/20/63/544942063.db2.gz VSILNMXDBNOGJV-QGZVFWFLSA-N 1 3 306.450 2.628 20 0 DFADHO C[C@@H]([NH2+]CCCc1cnn(C)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000680401422 545004564 /nfs/dbraw/zinc/00/45/64/545004564.db2.gz ZCVLUJUAJVNOTC-NVXWUHKLSA-N 1 3 304.482 2.595 20 0 DFADHO CC[C@@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1ccccc1OC ZINC000155723018 425925521 /nfs/dbraw/zinc/92/55/21/425925521.db2.gz NIVGDDMGGDCQRI-SJLPKXTDSA-N 1 3 319.493 2.762 20 0 DFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC000155921467 425929797 /nfs/dbraw/zinc/92/97/97/425929797.db2.gz GAFYSYDFSYTJDD-HZPDHXFCSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC000155921467 425929801 /nfs/dbraw/zinc/92/98/01/425929801.db2.gz GAFYSYDFSYTJDD-HZPDHXFCSA-N 1 3 317.477 2.598 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000155989375 425931387 /nfs/dbraw/zinc/93/13/87/425931387.db2.gz GOAAZSHCLDQVID-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO Cc1cc(N2CCN(C[C@@H](C)O)[C@H](C)C2)c2cc(F)ccc2n1 ZINC000124693759 425932849 /nfs/dbraw/zinc/93/28/49/425932849.db2.gz VPFSPQJUTORQNF-ZIAGYGMSSA-N 1 3 317.408 2.574 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCOCC1)c1cccc(OCCN(C)C)c1 ZINC000183350100 267752084 /nfs/dbraw/zinc/75/20/84/267752084.db2.gz NHPXMXANJKGGDH-DOTOQJQBSA-N 1 3 306.450 2.847 20 0 DFADHO CC[NH+]1CCC(CNCc2ccc(Br)o2)CC1 ZINC000044517408 425856924 /nfs/dbraw/zinc/85/69/24/425856924.db2.gz XIIYWZGDXVOZID-UHFFFAOYSA-N 1 3 301.228 2.864 20 0 DFADHO COC(=O)C1CCC([NH2+]CCCN2C[C@H](C)C[C@H](C)C2)CC1 ZINC000192439368 268037036 /nfs/dbraw/zinc/03/70/36/268037036.db2.gz GYUDQNSXQXJWAV-RYTJFDOTSA-N 1 3 310.482 2.676 20 0 DFADHO C[C@H](NCCO[C@@H]1CCCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193117798 268060729 /nfs/dbraw/zinc/06/07/29/268060729.db2.gz PUPZGXHCTZFKON-XYJFISCASA-N 1 3 310.482 2.772 20 0 DFADHO C[C@H](NCCO[C@@H]1CCCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000193117798 268060731 /nfs/dbraw/zinc/06/07/31/268060731.db2.gz PUPZGXHCTZFKON-XYJFISCASA-N 1 3 310.482 2.772 20 0 DFADHO C[C@H]([NH2+]CCO[C@@H]1CCCCO1)[C@H]1CCCN(C2CCC2)C1 ZINC000193117798 268060733 /nfs/dbraw/zinc/06/07/33/268060733.db2.gz PUPZGXHCTZFKON-XYJFISCASA-N 1 3 310.482 2.772 20 0 DFADHO CN(C)[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000237194700 268154915 /nfs/dbraw/zinc/15/49/15/268154915.db2.gz YWJGZPXPOBQQDP-FGTMMUONSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H](CC(N)=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000267258832 268180248 /nfs/dbraw/zinc/18/02/48/268180248.db2.gz PUBRSUCDUCTRME-XHSDSOJGSA-N 1 3 317.477 2.518 20 0 DFADHO C[C@@H](CC(N)=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000267258832 268180250 /nfs/dbraw/zinc/18/02/50/268180250.db2.gz PUBRSUCDUCTRME-XHSDSOJGSA-N 1 3 317.477 2.518 20 0 DFADHO COc1cccc(N2CC[C@H](N[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)C2)c1 ZINC000268867560 268185687 /nfs/dbraw/zinc/18/56/87/268185687.db2.gz TUYLKPJCRZLQJU-OAFZBRQQSA-N 1 3 317.477 2.592 20 0 DFADHO COc1cccc(N2CC[C@H](N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)C2)c1 ZINC000268867560 268185689 /nfs/dbraw/zinc/18/56/89/268185689.db2.gz TUYLKPJCRZLQJU-OAFZBRQQSA-N 1 3 317.477 2.592 20 0 DFADHO CC(C)COc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000268853599 268186317 /nfs/dbraw/zinc/18/63/17/268186317.db2.gz QIQNZJXZPPPASI-WMZOPIPTSA-N 1 3 320.477 2.829 20 0 DFADHO c1cn2c(n1)CC[C@H](C[NH2+]Cc1c[nH]c(-c3ccccc3)n1)C2 ZINC000275390965 268258569 /nfs/dbraw/zinc/25/85/69/268258569.db2.gz BYLMTUIMZVVKMP-CQSZACIVSA-N 1 3 307.401 2.625 20 0 DFADHO Cc1cc2ncc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)c(C)n2n1 ZINC000295919183 268297526 /nfs/dbraw/zinc/29/75/26/268297526.db2.gz JUROVPPRFJRRSU-OHRKKDJYSA-N 1 3 313.449 2.622 20 0 DFADHO c1ccc2c(c1)CCN2CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000321004983 268348527 /nfs/dbraw/zinc/34/85/27/268348527.db2.gz RDXMDBFMWFKFJL-IPMKNSEASA-N 1 3 313.489 2.950 20 0 DFADHO C[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000157877616 425938740 /nfs/dbraw/zinc/93/87/40/425938740.db2.gz HCCWLAYELHOBGS-WMZOPIPTSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000157877616 425938742 /nfs/dbraw/zinc/93/87/42/425938742.db2.gz HCCWLAYELHOBGS-WMZOPIPTSA-N 1 3 317.477 2.528 20 0 DFADHO CC(C)CN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000157610011 425939099 /nfs/dbraw/zinc/93/90/99/425939099.db2.gz ZPQYAYLDFRUGHM-SFHVURJKSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)C[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000157610011 425939101 /nfs/dbraw/zinc/93/91/01/425939101.db2.gz ZPQYAYLDFRUGHM-SFHVURJKSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)C[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000157610011 425939103 /nfs/dbraw/zinc/93/91/03/425939103.db2.gz ZPQYAYLDFRUGHM-SFHVURJKSA-N 1 3 317.477 2.526 20 0 DFADHO CC1(C)Cc2cc(C[NH2+]C[C@H]3CCN(C4CC4)C3)ccc2O1 ZINC000103340242 425943703 /nfs/dbraw/zinc/94/37/03/425943703.db2.gz DTIWNRPHYVGICL-OAHLLOKOSA-N 1 3 300.446 2.974 20 0 DFADHO COCCOCCN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158839773 425948443 /nfs/dbraw/zinc/94/84/43/425948443.db2.gz UDDGHXAMQMLDCD-KRWDZBQOSA-N 1 3 312.498 2.626 20 0 DFADHO COCCOCCN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158839773 425948445 /nfs/dbraw/zinc/94/84/45/425948445.db2.gz UDDGHXAMQMLDCD-KRWDZBQOSA-N 1 3 312.498 2.626 20 0 DFADHO CCOC(=O)CCN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158969275 425951123 /nfs/dbraw/zinc/95/11/23/425951123.db2.gz FDHAUIRAVNVYIB-INIZCTEOSA-N 1 3 310.482 2.916 20 0 DFADHO CCOC(=O)CCN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158969275 425951128 /nfs/dbraw/zinc/95/11/28/425951128.db2.gz FDHAUIRAVNVYIB-INIZCTEOSA-N 1 3 310.482 2.916 20 0 DFADHO COC(=O)[C@H](C)C[N@H+](CC[C@@H]1CCCN1C)Cc1ccccc1 ZINC000125071764 425951808 /nfs/dbraw/zinc/95/18/08/425951808.db2.gz MLHDBDCHMWWXNJ-AEFFLSMTSA-N 1 3 318.461 2.782 20 0 DFADHO COC(=O)[C@H](C)C[N@@H+](CC[C@@H]1CCCN1C)Cc1ccccc1 ZINC000125071764 425951810 /nfs/dbraw/zinc/95/18/10/425951810.db2.gz MLHDBDCHMWWXNJ-AEFFLSMTSA-N 1 3 318.461 2.782 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000070174485 425968633 /nfs/dbraw/zinc/96/86/33/425968633.db2.gz YRIHCGOCFSUHCK-QWHCGFSZSA-N 1 3 309.841 2.728 20 0 DFADHO CC(C)Oc1ccc([C@@H](O)CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000125366222 425969031 /nfs/dbraw/zinc/96/90/31/425969031.db2.gz FATWSBOYLLBNSH-LESCRADOSA-N 1 3 306.450 2.580 20 0 DFADHO CC(C)Oc1ccc([C@@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000125366222 425969034 /nfs/dbraw/zinc/96/90/34/425969034.db2.gz FATWSBOYLLBNSH-LESCRADOSA-N 1 3 306.450 2.580 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(Cc2cccs2)CC1)[C@@H]1CCOC1 ZINC000125457506 425972835 /nfs/dbraw/zinc/97/28/35/425972835.db2.gz NXUSYHPXGNKQCF-GDBMZVCRSA-N 1 3 308.491 2.975 20 0 DFADHO CCC[C@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)N(C)C ZINC000126863506 426039316 /nfs/dbraw/zinc/03/93/16/426039316.db2.gz XZNVIYLWOIYTDO-FUHWJXTLSA-N 1 3 319.493 2.744 20 0 DFADHO CCC[C@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000126863506 426039319 /nfs/dbraw/zinc/03/93/19/426039319.db2.gz XZNVIYLWOIYTDO-FUHWJXTLSA-N 1 3 319.493 2.744 20 0 DFADHO O=C1CCCCN1CC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161838307 426041826 /nfs/dbraw/zinc/04/18/26/426041826.db2.gz XPFHSJFJCYLFBA-UHFFFAOYSA-N 1 3 321.509 2.587 20 0 DFADHO CC[N@@H+]1CC[C@H](NCc2ccc(NCCOC)cc2)[C@H](C)C1 ZINC000127060206 426049542 /nfs/dbraw/zinc/04/95/42/426049542.db2.gz JRVZFCZSEWIVFF-QAPCUYQASA-N 1 3 305.466 2.565 20 0 DFADHO CC[N@H+]1CC[C@H](NCc2ccc(NCCOC)cc2)[C@H](C)C1 ZINC000127060206 426049545 /nfs/dbraw/zinc/04/95/45/426049545.db2.gz JRVZFCZSEWIVFF-QAPCUYQASA-N 1 3 305.466 2.565 20 0 DFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000111420880 426049843 /nfs/dbraw/zinc/04/98/43/426049843.db2.gz UUGZRJBFTKRDPZ-QGZVFWFLSA-N 1 3 318.465 2.744 20 0 DFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000111420880 426049846 /nfs/dbraw/zinc/04/98/46/426049846.db2.gz UUGZRJBFTKRDPZ-QGZVFWFLSA-N 1 3 318.465 2.744 20 0 DFADHO CCC[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)N(C)C ZINC000127337315 426061753 /nfs/dbraw/zinc/06/17/53/426061753.db2.gz NCYLUXSNXWBFRR-QGZVFWFLSA-N 1 3 309.498 2.630 20 0 DFADHO Cc1ccc(C)c(CN(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000126430094 426019548 /nfs/dbraw/zinc/01/95/48/426019548.db2.gz JQZBBCYSHBKIPR-UHFFFAOYSA-N 1 3 303.494 2.761 20 0 DFADHO Cc1ccc(C)c(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000126430094 426019549 /nfs/dbraw/zinc/01/95/49/426019549.db2.gz JQZBBCYSHBKIPR-UHFFFAOYSA-N 1 3 303.494 2.761 20 0 DFADHO C[C@@H]1C[C@H](NCCNc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000163085987 426088207 /nfs/dbraw/zinc/08/82/07/426088207.db2.gz YIZCCIODCQVODA-ZYHUDNBSSA-N 1 3 317.264 2.873 20 0 DFADHO C[C@@H]1C[C@H](NCCNc2ncc(Cl)cc2Cl)CC[N@H+]1C ZINC000163085987 426088210 /nfs/dbraw/zinc/08/82/10/426088210.db2.gz YIZCCIODCQVODA-ZYHUDNBSSA-N 1 3 317.264 2.873 20 0 DFADHO CN1CCC[C@H]1CC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000163244982 426093542 /nfs/dbraw/zinc/09/35/42/426093542.db2.gz DYISIGCXXRQRDV-RBUKOAKNSA-N 1 3 302.462 2.804 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000163244982 426093545 /nfs/dbraw/zinc/09/35/45/426093545.db2.gz DYISIGCXXRQRDV-RBUKOAKNSA-N 1 3 302.462 2.804 20 0 DFADHO CC[C@H](N)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000164846875 426118512 /nfs/dbraw/zinc/11/85/12/426118512.db2.gz RFMXQEBOQLZMEN-MPGHIAIKSA-N 1 3 317.477 2.518 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCCOc2ccc(F)cc21 ZINC000165956445 426125073 /nfs/dbraw/zinc/12/50/73/426125073.db2.gz GWVNBKLDYUIPRV-DOTOQJQBSA-N 1 3 324.440 2.986 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCCc2nc(C)sc21 ZINC000166026841 426125828 /nfs/dbraw/zinc/12/58/28/426125828.db2.gz KIAACUJKLOEDPT-UONOGXRCSA-N 1 3 311.495 2.775 20 0 DFADHO C[C@H]([NH2+]C[C@]1(C)CCCO1)c1cccc(OCCN(C)C)c1 ZINC000167044867 426130583 /nfs/dbraw/zinc/13/05/83/426130583.db2.gz DLXBMUOTCOJBCE-YJBOKZPZSA-N 1 3 306.450 2.847 20 0 DFADHO COC(=O)CCCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000078761430 426184876 /nfs/dbraw/zinc/18/48/76/426184876.db2.gz PKJZQRBQZSEDRT-UHFFFAOYSA-N 1 3 318.461 2.784 20 0 DFADHO COC(=O)CCCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000078761430 426184879 /nfs/dbraw/zinc/18/48/79/426184879.db2.gz PKJZQRBQZSEDRT-UHFFFAOYSA-N 1 3 318.461 2.784 20 0 DFADHO COC(=O)CCC[N@H+](C)C1CCN(C2CCC(C)CC2)CC1 ZINC000116390531 426189405 /nfs/dbraw/zinc/18/94/05/426189405.db2.gz GLOGDESJUZTBQM-UHFFFAOYSA-N 1 3 310.482 2.915 20 0 DFADHO COC(=O)CCC[N@@H+](C)C1CCN(C2CCC(C)CC2)CC1 ZINC000116390531 426189408 /nfs/dbraw/zinc/18/94/08/426189408.db2.gz GLOGDESJUZTBQM-UHFFFAOYSA-N 1 3 310.482 2.915 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173321947 426238444 /nfs/dbraw/zinc/23/84/44/426238444.db2.gz GODFXYNQFSDGLY-KBPBESRZSA-N 1 3 311.420 2.641 20 0 DFADHO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)N1CCCCCC1 ZINC000118773588 426244140 /nfs/dbraw/zinc/24/41/40/426244140.db2.gz AWPIJLDLTXAIJP-ZWKOTPCHSA-N 1 3 323.525 2.879 20 0 DFADHO C[C@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)N1CCCCCC1 ZINC000118773588 426244142 /nfs/dbraw/zinc/24/41/42/426244142.db2.gz AWPIJLDLTXAIJP-ZWKOTPCHSA-N 1 3 323.525 2.879 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000173890184 426250444 /nfs/dbraw/zinc/25/04/44/426250444.db2.gz IYQFBJQNZQLMCB-CQSZACIVSA-N 1 3 323.868 2.942 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000173890184 426250446 /nfs/dbraw/zinc/25/04/46/426250446.db2.gz IYQFBJQNZQLMCB-CQSZACIVSA-N 1 3 323.868 2.942 20 0 DFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc2c(s1)CCC2 ZINC000150977258 426270626 /nfs/dbraw/zinc/27/06/26/426270626.db2.gz GQVZKMAAXLZPBP-AWEZNQCLSA-N 1 3 321.534 2.913 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(CCN(C)C)CC1)CC2 ZINC000150985795 426271428 /nfs/dbraw/zinc/27/14/28/426271428.db2.gz WQULVJPDRJXIND-LJQANCHMSA-N 1 3 301.478 2.598 20 0 DFADHO N[C@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000119459292 426289550 /nfs/dbraw/zinc/28/95/50/426289550.db2.gz UPVUHKJHGRLJJX-GOSISDBHSA-N 1 3 315.461 2.600 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000089427797 426290382 /nfs/dbraw/zinc/29/03/82/426290382.db2.gz NNBLYIIAISSFLI-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2nc3c(cccc3F)n2C)[C@H](C)C1 ZINC000089673884 426301482 /nfs/dbraw/zinc/30/14/82/426301482.db2.gz YKMWETCHGFRWJE-UKRRQHHQSA-N 1 3 318.440 2.575 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2nc3c(cccc3F)n2C)[C@H](C)C1 ZINC000089673884 426301486 /nfs/dbraw/zinc/30/14/86/426301486.db2.gz YKMWETCHGFRWJE-UKRRQHHQSA-N 1 3 318.440 2.575 20 0 DFADHO CCOc1ccc(C[N@H+](C)C[C@@H]2CCN(C)C2)cc1OCC ZINC000120983089 426317195 /nfs/dbraw/zinc/31/71/95/426317195.db2.gz SEQYWZFQNOVEOA-MRXNPFEDSA-N 1 3 306.450 2.868 20 0 DFADHO CCOc1ccc(C[N@@H+](C)C[C@@H]2CCN(C)C2)cc1OCC ZINC000120983089 426317196 /nfs/dbraw/zinc/31/71/96/426317196.db2.gz SEQYWZFQNOVEOA-MRXNPFEDSA-N 1 3 306.450 2.868 20 0 DFADHO COC[C@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C1CC1 ZINC000090717386 426331127 /nfs/dbraw/zinc/33/11/27/426331127.db2.gz MEMXKUMRWSVJPH-KDOFPFPSSA-N 1 3 306.450 2.703 20 0 DFADHO C[C@H]1C[C@@H](NCCc2nc(C(F)(F)F)cs2)CC[N@@H+]1C ZINC000152193009 426331393 /nfs/dbraw/zinc/33/13/93/426331393.db2.gz GEFFGBOPBIWHRA-UWVGGRQHSA-N 1 3 307.385 2.777 20 0 DFADHO C[C@H]1C[C@@H](NCCc2nc(C(F)(F)F)cs2)CC[N@H+]1C ZINC000152193009 426331396 /nfs/dbraw/zinc/33/13/96/426331396.db2.gz GEFFGBOPBIWHRA-UWVGGRQHSA-N 1 3 307.385 2.777 20 0 DFADHO Cc1ccccc1CCC[NH+]1CCC(N(C)CCCO)CC1 ZINC000175908830 426339123 /nfs/dbraw/zinc/33/91/23/426339123.db2.gz ATBHPPRVFHUJHG-UHFFFAOYSA-N 1 3 304.478 2.706 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000089214959 426282155 /nfs/dbraw/zinc/28/21/55/426282155.db2.gz JQQZQVHHAQELDL-MDZRGWNJSA-N 1 3 316.493 2.616 20 0 DFADHO CC(C)C[C@H](CO)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000151190661 426282844 /nfs/dbraw/zinc/28/28/44/426282844.db2.gz XGUIPOIWQQOIEK-NVXWUHKLSA-N 1 3 308.466 2.685 20 0 DFADHO CC[C@@H]([NH2+]CCCN(C)CCOC)c1cc(F)ccc1F ZINC000153747174 426403616 /nfs/dbraw/zinc/40/36/16/426403616.db2.gz KPLLETJYUCRJAY-MRXNPFEDSA-N 1 3 300.393 2.974 20 0 DFADHO CCCCNC(=O)[C@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121744278 426352768 /nfs/dbraw/zinc/35/27/68/426352768.db2.gz HQEDHXPDXQYCEN-KRWDZBQOSA-N 1 3 323.525 2.879 20 0 DFADHO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccc(OCCN(C)C)cc1 ZINC000152845916 426357683 /nfs/dbraw/zinc/35/76/83/426357683.db2.gz BIAXOSAJVPJZME-RKVPGOIHSA-N 1 3 306.450 2.845 20 0 DFADHO CC[C@H]([NH2+]Cc1ccccc1OCCN(C)C)[C@@H]1CCOC1 ZINC000122376050 426373079 /nfs/dbraw/zinc/37/30/79/426373079.db2.gz KPVDHOQMYSZBGG-SJORKVTESA-N 1 3 306.450 2.532 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)CCN1C ZINC000154004373 426419073 /nfs/dbraw/zinc/41/90/73/426419073.db2.gz JLVJKFPHXHJOFG-ZACQAIPSSA-N 1 3 305.466 2.879 20 0 DFADHO Cc1ccc([C@@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)N2CCCC2)o1 ZINC000154030671 426420515 /nfs/dbraw/zinc/42/05/15/426420515.db2.gz MJRKKOJOPLBJTH-BHYGNILZSA-N 1 3 305.466 2.655 20 0 DFADHO Cc1ccc([C@@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)N2CCCC2)o1 ZINC000154030671 426420518 /nfs/dbraw/zinc/42/05/18/426420518.db2.gz MJRKKOJOPLBJTH-BHYGNILZSA-N 1 3 305.466 2.655 20 0 DFADHO Cc1ccc([C@@H](C[NH2+][C@H]2CCN(C)C[C@@H]2C)N2CCCC2)o1 ZINC000154030671 426420520 /nfs/dbraw/zinc/42/05/20/426420520.db2.gz MJRKKOJOPLBJTH-BHYGNILZSA-N 1 3 305.466 2.655 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@]1(C)CCCO1 ZINC000340459213 268977683 /nfs/dbraw/zinc/97/76/83/268977683.db2.gz CNGCEQASDPKQGD-YJBOKZPZSA-N 1 3 306.450 2.674 20 0 DFADHO CCC(CC)C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000123383147 426429851 /nfs/dbraw/zinc/42/98/51/426429851.db2.gz GMDDGQJPKIMHAW-UHFFFAOYSA-N 1 3 305.466 2.504 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(C)ccc2C)CC1 ZINC000154249499 426432999 /nfs/dbraw/zinc/43/29/99/426432999.db2.gz UBNCPCBUHOBOEA-SFHVURJKSA-N 1 3 303.494 2.982 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc3c(s2)CCC3)CC1 ZINC000154278456 426433879 /nfs/dbraw/zinc/43/38/79/426433879.db2.gz PWZQBVHYDMRNKP-OAHLLOKOSA-N 1 3 321.534 2.915 20 0 DFADHO CCOc1ccc([C@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000154324509 426435485 /nfs/dbraw/zinc/43/54/85/426435485.db2.gz SOGQFRBRTPVUNC-KRWDZBQOSA-N 1 3 319.493 2.764 20 0 DFADHO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000123513122 426438344 /nfs/dbraw/zinc/43/83/44/426438344.db2.gz JWLWOLTZGCPRIP-YJBOKZPZSA-N 1 3 308.466 2.685 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000341432965 269076683 /nfs/dbraw/zinc/07/66/83/269076683.db2.gz PIIFDRGZYRYENX-SFHVURJKSA-N 1 3 323.525 2.975 20 0 DFADHO C[C@@H](c1ccccc1F)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177376692 426473130 /nfs/dbraw/zinc/47/31/30/426473130.db2.gz YDDCWKCNULAZGV-HNNXBMFYSA-N 1 3 307.457 2.845 20 0 DFADHO Cc1cnn(CCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272469881 426533917 /nfs/dbraw/zinc/53/39/17/426533917.db2.gz LEFKWKRFIOTKDN-MJGOQNOKSA-N 1 3 312.461 2.692 20 0 DFADHO Cc1cnn(CCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272469881 426533923 /nfs/dbraw/zinc/53/39/23/426533923.db2.gz LEFKWKRFIOTKDN-MJGOQNOKSA-N 1 3 312.461 2.692 20 0 DFADHO CCC[NH+]1CCC(NCCc2nn(C)c3ccccc23)CC1 ZINC000186481044 426535032 /nfs/dbraw/zinc/53/50/32/426535032.db2.gz TWMYXRMWFLFHTE-UHFFFAOYSA-N 1 3 300.450 2.580 20 0 DFADHO Cn1nc(CC[NH2+]C2CCN(C(C)(C)C)CC2)c2ccccc21 ZINC000186487400 426537662 /nfs/dbraw/zinc/53/76/62/426537662.db2.gz HRPQMEKFRLLZMN-UHFFFAOYSA-N 1 3 314.477 2.968 20 0 DFADHO Cn1nc(CCNC2CC[NH+](C(C)(C)C)CC2)c2ccccc21 ZINC000186487400 426537665 /nfs/dbraw/zinc/53/76/65/426537665.db2.gz HRPQMEKFRLLZMN-UHFFFAOYSA-N 1 3 314.477 2.968 20 0 DFADHO Cc1nccn1CC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272485142 426538383 /nfs/dbraw/zinc/53/83/83/426538383.db2.gz MMCKRRFTYYELSL-VQIMIIECSA-N 1 3 312.461 2.692 20 0 DFADHO C/C=C/C[C@@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000186510203 426541299 /nfs/dbraw/zinc/54/12/99/426541299.db2.gz YKPORBWMBCVVTD-SFGXSAEXSA-N 1 3 314.473 2.814 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1sccc1OC ZINC000186189503 426492090 /nfs/dbraw/zinc/49/20/90/426492090.db2.gz NWMDERSHDXUYQS-CHWSQXEVSA-N 1 3 300.468 2.764 20 0 DFADHO CC(C)c1nc([C@@H](C)NC2CCN(CC[NH+](C)C)CC2)cs1 ZINC000186236232 426496085 /nfs/dbraw/zinc/49/60/85/426496085.db2.gz VGROADCMVQCMRE-CQSZACIVSA-N 1 3 324.538 2.943 20 0 DFADHO C[C@H](CCC1CC1)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000186312376 426501965 /nfs/dbraw/zinc/50/19/65/426501965.db2.gz GUODAPUBDFGRJF-OAHLLOKOSA-N 1 3 317.477 2.646 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCn2cccn2)CC1 ZINC000178388060 426619660 /nfs/dbraw/zinc/61/96/60/426619660.db2.gz YWMKYRJTMIOSHW-KRWDZBQOSA-N 1 3 304.482 2.860 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCn2cccn2)CC1 ZINC000178388060 426619665 /nfs/dbraw/zinc/61/96/65/426619665.db2.gz YWMKYRJTMIOSHW-KRWDZBQOSA-N 1 3 304.482 2.860 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000226373060 426620315 /nfs/dbraw/zinc/62/03/15/426620315.db2.gz HPNPMGYHCOGBNM-GXSJLCMTSA-N 1 3 303.269 2.770 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1ccc(Br)s1 ZINC000226373060 426620318 /nfs/dbraw/zinc/62/03/18/426620318.db2.gz HPNPMGYHCOGBNM-GXSJLCMTSA-N 1 3 303.269 2.770 20 0 DFADHO C[C@@H](NCCOCC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562911 426557617 /nfs/dbraw/zinc/55/76/17/426557617.db2.gz UOUSNFBQMNJWLE-APWZRJJASA-N 1 3 302.462 2.913 20 0 DFADHO C[C@@H](NCCOCC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562911 426557623 /nfs/dbraw/zinc/55/76/23/426557623.db2.gz UOUSNFBQMNJWLE-APWZRJJASA-N 1 3 302.462 2.913 20 0 DFADHO Cc1ccc(C)c(C[NH+]2CCC(CN3CCN(C)CC3)CC2)c1 ZINC000265411979 426633149 /nfs/dbraw/zinc/63/31/49/426633149.db2.gz FKTQYASDFHZYKQ-UHFFFAOYSA-N 1 3 315.505 2.763 20 0 DFADHO CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000236676791 426675100 /nfs/dbraw/zinc/67/51/00/426675100.db2.gz ZOJAIQOLSMQMDJ-KRWDZBQOSA-N 1 3 317.477 2.532 20 0 DFADHO C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)[C@@H](N)c1ccccc1 ZINC000236701629 426679348 /nfs/dbraw/zinc/67/93/48/426679348.db2.gz JNPQVFGYQCRZIA-SJLPKXTDSA-N 1 3 317.477 2.561 20 0 DFADHO CCN1CC[C@H]([N@H+](C)Cc2cc(OC)c(O)c(OC)c2)[C@H](C)C1 ZINC000290159768 426705980 /nfs/dbraw/zinc/70/59/80/426705980.db2.gz XIAJYXIPHPHKTP-HIFRSBDPSA-N 1 3 322.449 2.572 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(OC)c(O)c(OC)c2)[C@H](C)C1 ZINC000290159768 426705983 /nfs/dbraw/zinc/70/59/83/426705983.db2.gz XIAJYXIPHPHKTP-HIFRSBDPSA-N 1 3 322.449 2.572 20 0 DFADHO COCC[NH+]1CCC(N[C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000281233509 426707476 /nfs/dbraw/zinc/70/74/76/426707476.db2.gz MNGRQBKDJCTDCZ-QGZVFWFLSA-N 1 3 322.424 2.522 20 0 DFADHO C[C@@H](CN[C@@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000237442464 426691552 /nfs/dbraw/zinc/69/15/52/426691552.db2.gz AFCQBEKSEJWGIV-AZUAARDMSA-N 1 3 315.505 2.973 20 0 DFADHO CC(C)[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245735918 426767846 /nfs/dbraw/zinc/76/78/46/426767846.db2.gz QUJGJYCYXJYEOA-FCGDIQPGSA-N 1 3 302.462 2.789 20 0 DFADHO CC(C)[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245735918 426767850 /nfs/dbraw/zinc/76/78/50/426767850.db2.gz QUJGJYCYXJYEOA-FCGDIQPGSA-N 1 3 302.462 2.789 20 0 DFADHO CC[C@@H](CO)[NH2+][C@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000188667100 426775440 /nfs/dbraw/zinc/77/54/40/426775440.db2.gz JKESBSOVORLJMF-XWSJACJDSA-N 1 3 302.462 2.648 20 0 DFADHO CC(=O)Nc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000290512834 426781578 /nfs/dbraw/zinc/78/15/78/426781578.db2.gz PREYIKVNMFDFJY-AEFFLSMTSA-N 1 3 301.434 2.561 20 0 DFADHO CC(=O)Nc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000290512834 426781581 /nfs/dbraw/zinc/78/15/81/426781581.db2.gz PREYIKVNMFDFJY-AEFFLSMTSA-N 1 3 301.434 2.561 20 0 DFADHO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000290512834 426781584 /nfs/dbraw/zinc/78/15/84/426781584.db2.gz PREYIKVNMFDFJY-AEFFLSMTSA-N 1 3 301.434 2.561 20 0 DFADHO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000290512834 426781586 /nfs/dbraw/zinc/78/15/86/426781586.db2.gz PREYIKVNMFDFJY-AEFFLSMTSA-N 1 3 301.434 2.561 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCOC(C)(C)C)[C@@H](C)C1 ZINC000245929881 426785820 /nfs/dbraw/zinc/78/58/20/426785820.db2.gz UQNNPUMKFLZIGY-JKSUJKDBSA-N 1 3 300.487 2.528 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCOC(C)(C)C)[C@@H](C)C1 ZINC000245929881 426785825 /nfs/dbraw/zinc/78/58/25/426785825.db2.gz UQNNPUMKFLZIGY-JKSUJKDBSA-N 1 3 300.487 2.528 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000245569302 426753726 /nfs/dbraw/zinc/75/37/26/426753726.db2.gz AMBRRVRRIJRYSO-NMVRNDPTSA-N 1 3 323.431 2.782 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000245569302 426753731 /nfs/dbraw/zinc/75/37/31/426753731.db2.gz AMBRRVRRIJRYSO-NMVRNDPTSA-N 1 3 323.431 2.782 20 0 DFADHO CN1CCN(CC[NH2+][C@H](c2cccnc2)C2CCC2)CC1(C)C ZINC000282129027 426836208 /nfs/dbraw/zinc/83/62/08/426836208.db2.gz BHXWRBKZEFRSNA-SFHVURJKSA-N 1 3 316.493 2.538 20 0 DFADHO Cc1cnccc1C[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000295180596 426852498 /nfs/dbraw/zinc/85/24/98/426852498.db2.gz MQDSUSBFLNKOKY-UHFFFAOYSA-N 1 3 313.445 2.663 20 0 DFADHO Cc1ccc([C@@H]([NH2+]CC2(O)CCN(C)CC2)C2CCC2)cc1 ZINC000275375876 426865073 /nfs/dbraw/zinc/86/50/73/426865073.db2.gz WQBYMWHHVZPGOR-SFHVURJKSA-N 1 3 302.462 2.883 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3OC)C2)[C@@H](C)C1 ZINC000246870404 426875473 /nfs/dbraw/zinc/87/54/73/426875473.db2.gz CZBAVRJXOMXGON-ULQDDVLXSA-N 1 3 317.477 2.594 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3OC)C2)[C@@H](C)C1 ZINC000246870404 426875476 /nfs/dbraw/zinc/87/54/76/426875476.db2.gz CZBAVRJXOMXGON-ULQDDVLXSA-N 1 3 317.477 2.594 20 0 DFADHO C[C@@H]1C[C@H](NCc2ccc(OCCC[NH+](C)C)cc2)[C@H](C)O1 ZINC000295243587 426876303 /nfs/dbraw/zinc/87/63/03/426876303.db2.gz SXNOBZJZDISRQT-VKJFTORMSA-N 1 3 306.450 2.673 20 0 DFADHO C[C@H]1C[C@H]([NH2+]C2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000267545899 426882569 /nfs/dbraw/zinc/88/25/69/426882569.db2.gz BLCKTJUHIJCRCQ-QFBILLFUSA-N 1 3 301.478 2.723 20 0 DFADHO CC[C@@H](C(=O)N1CCC(CCC[NH+](CC)CC)CC1)N(C)C ZINC000180757594 426885391 /nfs/dbraw/zinc/88/53/91/426885391.db2.gz MGBQLBBWIHXTBQ-KRWDZBQOSA-N 1 3 311.514 2.687 20 0 DFADHO Cc1cc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc(C)c1F ZINC000305137064 426885412 /nfs/dbraw/zinc/88/54/12/426885412.db2.gz OUYXZOJQYLOTAG-OAHLLOKOSA-N 1 3 308.441 2.940 20 0 DFADHO COc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1F ZINC000282347947 426888594 /nfs/dbraw/zinc/88/85/94/426888594.db2.gz PEALERNJXDWSQA-AWEZNQCLSA-N 1 3 323.456 2.511 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000275924896 426949588 /nfs/dbraw/zinc/94/95/88/426949588.db2.gz WOVOBJFDARIDQQ-ROUUACIJSA-N 1 3 302.462 2.543 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000316752931 426949821 /nfs/dbraw/zinc/94/98/21/426949821.db2.gz FENQYDLVHXCORH-SJORKVTESA-N 1 3 305.466 2.559 20 0 DFADHO CC(C)N1CCN(CCCN2CCc3c(F)cccc3C2)CC1 ZINC000283159928 426966449 /nfs/dbraw/zinc/96/64/49/426966449.db2.gz CVDVSZYPDNHQKM-UHFFFAOYSA-N 1 3 319.468 2.600 20 0 DFADHO CC(C)[NH+]1CCN(CCCN2CCc3c(F)cccc3C2)CC1 ZINC000283159928 426966453 /nfs/dbraw/zinc/96/64/53/426966453.db2.gz CVDVSZYPDNHQKM-UHFFFAOYSA-N 1 3 319.468 2.600 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@@H](C)O1 ZINC000181616242 426967751 /nfs/dbraw/zinc/96/77/51/426967751.db2.gz OBAZCYPDKLYCOL-SFFUCWETSA-N 1 3 324.509 2.669 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](c1cccc(F)c1)N(C)C ZINC000248048312 426975290 /nfs/dbraw/zinc/97/52/90/426975290.db2.gz VVEHBQKUZZQMJP-DTTOXWODSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](c1cccc(F)c1)N(C)C ZINC000248048312 426975296 /nfs/dbraw/zinc/97/52/96/426975296.db2.gz VVEHBQKUZZQMJP-DTTOXWODSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000248048312 426975300 /nfs/dbraw/zinc/97/53/00/426975300.db2.gz VVEHBQKUZZQMJP-DTTOXWODSA-N 1 3 307.457 2.747 20 0 DFADHO CCOc1cc(C[NH2+]C[C@H](C)CN(C)C)ccc1OC(F)F ZINC000291779588 426987059 /nfs/dbraw/zinc/98/70/59/426987059.db2.gz UTOXABHJOHMMGO-LBPRGKRZSA-N 1 3 316.392 2.974 20 0 DFADHO CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248404746 426995721 /nfs/dbraw/zinc/99/57/21/426995721.db2.gz QPYJNPYVUKCFQP-IYWMVGAKSA-N 1 3 316.489 2.894 20 0 DFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283473182 427020185 /nfs/dbraw/zinc/02/01/85/427020185.db2.gz WLZCZUNPRUKULY-VDGAXYAQSA-N 1 3 315.505 2.794 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000337899498 427026344 /nfs/dbraw/zinc/02/63/44/427026344.db2.gz ONZLKGHWCKYVGV-LZLYRXPVSA-N 1 3 304.482 2.904 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000337899499 427026699 /nfs/dbraw/zinc/02/66/99/427026699.db2.gz ONZLKGHWCKYVGV-NUJGCVRESA-N 1 3 304.482 2.904 20 0 DFADHO C[C@H](Cn1cccn1)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000337899891 427026852 /nfs/dbraw/zinc/02/68/52/427026852.db2.gz PACLQJRGFSWMBI-NUJGCVRESA-N 1 3 304.482 2.904 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000337899891 427026856 /nfs/dbraw/zinc/02/68/56/427026856.db2.gz PACLQJRGFSWMBI-NUJGCVRESA-N 1 3 304.482 2.904 20 0 DFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(N)CCC2)cc1 ZINC000295987294 427038763 /nfs/dbraw/zinc/03/87/63/427038763.db2.gz JYOIPKLOBQOJQO-HNNXBMFYSA-N 1 3 315.461 2.559 20 0 DFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(N)CCC2)cc1 ZINC000295987294 427038771 /nfs/dbraw/zinc/03/87/71/427038771.db2.gz JYOIPKLOBQOJQO-HNNXBMFYSA-N 1 3 315.461 2.559 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(N)CCC2)cc1 ZINC000295987299 427039039 /nfs/dbraw/zinc/03/90/39/427039039.db2.gz JYOIPKLOBQOJQO-OAHLLOKOSA-N 1 3 315.461 2.559 20 0 DFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(N)CCC2)cc1 ZINC000295987299 427039047 /nfs/dbraw/zinc/03/90/47/427039047.db2.gz JYOIPKLOBQOJQO-OAHLLOKOSA-N 1 3 315.461 2.559 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H](CNc2ccccn2)C1 ZINC000268545121 427048177 /nfs/dbraw/zinc/04/81/77/427048177.db2.gz LYQOLZHNHOIXEJ-IAGOWNOFSA-N 1 3 302.466 2.690 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@H](CNc2ccccn2)C1 ZINC000268545121 427048182 /nfs/dbraw/zinc/04/81/82/427048182.db2.gz LYQOLZHNHOIXEJ-IAGOWNOFSA-N 1 3 302.466 2.690 20 0 DFADHO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(CN(C)C)cc1 ZINC000276441404 427068602 /nfs/dbraw/zinc/06/86/02/427068602.db2.gz LHKVCCFTCUBGCZ-UHFFFAOYSA-N 1 3 317.477 2.696 20 0 DFADHO NC1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCC1 ZINC000296098454 427074407 /nfs/dbraw/zinc/07/44/07/427074407.db2.gz RPUUSUWWBXENTC-UHFFFAOYSA-N 1 3 315.461 2.560 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CCO1 ZINC000283825791 427084547 /nfs/dbraw/zinc/08/45/47/427084547.db2.gz DNBISZAPVQIZKK-RDJZCZTQSA-N 1 3 318.461 2.817 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000268701091 427093719 /nfs/dbraw/zinc/09/37/19/427093719.db2.gz FPJVMZIHNPHZHE-ZAWLATJESA-N 1 3 301.478 2.579 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000268701091 427093726 /nfs/dbraw/zinc/09/37/26/427093726.db2.gz FPJVMZIHNPHZHE-ZAWLATJESA-N 1 3 301.478 2.579 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000268701091 427093731 /nfs/dbraw/zinc/09/37/31/427093731.db2.gz FPJVMZIHNPHZHE-ZAWLATJESA-N 1 3 301.478 2.579 20 0 DFADHO C[C@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000338053798 427116490 /nfs/dbraw/zinc/11/64/90/427116490.db2.gz IXRFJZWXQUEKKT-IXDOHACOSA-N 1 3 323.525 2.971 20 0 DFADHO C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000338053798 427116495 /nfs/dbraw/zinc/11/64/95/427116495.db2.gz IXRFJZWXQUEKKT-IXDOHACOSA-N 1 3 323.525 2.971 20 0 DFADHO CCOc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000268799295 427123071 /nfs/dbraw/zinc/12/30/71/427123071.db2.gz ANVZWRNZTNPMNQ-OAHLLOKOSA-N 1 3 306.450 2.583 20 0 DFADHO C[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000338082810 427132238 /nfs/dbraw/zinc/13/22/38/427132238.db2.gz BPZZEQAHCIYSDO-OWCLPIDISA-N 1 3 309.498 2.628 20 0 DFADHO C[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000338082810 427132244 /nfs/dbraw/zinc/13/22/44/427132244.db2.gz BPZZEQAHCIYSDO-OWCLPIDISA-N 1 3 309.498 2.628 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C(C)(C)C ZINC000268831999 427133803 /nfs/dbraw/zinc/13/38/03/427133803.db2.gz SLEWLONOBJQIHP-MRXNPFEDSA-N 1 3 304.482 2.618 20 0 DFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(O)c1 ZINC000249606595 427134397 /nfs/dbraw/zinc/13/43/97/427134397.db2.gz RIWOLJXUPCDYAR-BZUAXINKSA-N 1 3 306.450 2.932 20 0 DFADHO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000338143707 427157682 /nfs/dbraw/zinc/15/76/82/427157682.db2.gz NRQOPHQZZXRCOA-QXSWTLKVSA-N 1 3 308.853 2.790 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166414105 271096903 /nfs/dbraw/zinc/09/69/03/271096903.db2.gz JVPSPDNREIIBCU-GOSISDBHSA-N 1 3 317.477 2.806 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000333343538 271371637 /nfs/dbraw/zinc/37/16/37/271371637.db2.gz YQBKPTMPUQULAC-PPXVZNSRSA-N 1 3 313.445 2.679 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc1 ZINC000338183120 427177267 /nfs/dbraw/zinc/17/72/67/427177267.db2.gz ACSCFYJUQZPPCB-CRAIPNDOSA-N 1 3 317.477 2.741 20 0 DFADHO CN1CC[C@H](NCCC[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000284318896 427180299 /nfs/dbraw/zinc/18/02/99/427180299.db2.gz POQDRDGQBQGDQR-OALUTQOASA-N 1 3 301.478 2.897 20 0 DFADHO C[C@H](CO)C[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183132081 427208086 /nfs/dbraw/zinc/20/80/86/427208086.db2.gz GGAVIIJAEMBEMR-WNHJNPCNSA-N 1 3 302.462 2.505 20 0 DFADHO CC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)COC1 ZINC000183141315 427209889 /nfs/dbraw/zinc/20/98/89/427209889.db2.gz BXRDSAIHPOVZNF-GBESFXJTSA-N 1 3 314.473 2.913 20 0 DFADHO COC(=O)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000285608487 427285643 /nfs/dbraw/zinc/28/56/43/427285643.db2.gz VSFAAZHTYUBJKE-SJPCQFCGSA-N 1 3 302.418 2.530 20 0 DFADHO COC(=O)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000285608487 427285648 /nfs/dbraw/zinc/28/56/48/427285648.db2.gz VSFAAZHTYUBJKE-SJPCQFCGSA-N 1 3 302.418 2.530 20 0 DFADHO CC1=CC[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000285423645 427228509 /nfs/dbraw/zinc/22/85/09/427228509.db2.gz YHHVKGYZLBYCRP-MOPGFXCFSA-N 1 3 300.446 2.842 20 0 DFADHO C(CO[C@H]1CCCCO1)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000338314196 427256837 /nfs/dbraw/zinc/25/68/37/427256837.db2.gz IKUZNTIVMNGUTF-ROUUACIJSA-N 1 3 310.482 2.728 20 0 DFADHO C(CO[C@H]1CCCCO1)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000338314196 427256844 /nfs/dbraw/zinc/25/68/44/427256844.db2.gz IKUZNTIVMNGUTF-ROUUACIJSA-N 1 3 310.482 2.728 20 0 DFADHO CC(C)[N@H+](C)CCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000338429304 427316071 /nfs/dbraw/zinc/31/60/71/427316071.db2.gz ZONMVBYZSXCZCF-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CC(C)[N@@H+](C)CCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000338429304 427316078 /nfs/dbraw/zinc/31/60/78/427316078.db2.gz ZONMVBYZSXCZCF-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000338775850 271591864 /nfs/dbraw/zinc/59/18/64/271591864.db2.gz QWBOSVPEKUAHFU-HYVNUMGLSA-N 1 3 321.509 2.676 20 0 DFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000338775850 271591866 /nfs/dbraw/zinc/59/18/66/271591866.db2.gz QWBOSVPEKUAHFU-HYVNUMGLSA-N 1 3 321.509 2.676 20 0 DFADHO C[NH2+]CC1CCN(Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000261986952 427346774 /nfs/dbraw/zinc/34/67/74/427346774.db2.gz SIBUVYNADYHRRA-UHFFFAOYSA-N 1 3 314.376 2.728 20 0 DFADHO NC[C@@H](NC(=O)CCCCCC[NH3+])c1ccc2ccccc2c1 ZINC000262800252 427372287 /nfs/dbraw/zinc/37/22/87/427372287.db2.gz NXDCDGJNMMLWFH-GOSISDBHSA-N 1 3 313.445 2.865 20 0 DFADHO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000293620161 427383604 /nfs/dbraw/zinc/38/36/04/427383604.db2.gz HACHJLDNUFPUCO-RDTXWAMCSA-N 1 3 316.445 2.998 20 0 DFADHO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000293620161 427383610 /nfs/dbraw/zinc/38/36/10/427383610.db2.gz HACHJLDNUFPUCO-RDTXWAMCSA-N 1 3 316.445 2.998 20 0 DFADHO CS[C@@H]1CCCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191589833 427385221 /nfs/dbraw/zinc/38/52/21/427385221.db2.gz JOMKOVVDWQSJLS-QGZVFWFLSA-N 1 3 313.555 2.620 20 0 DFADHO CS[C@@H]1CCCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191589833 427385232 /nfs/dbraw/zinc/38/52/32/427385232.db2.gz JOMKOVVDWQSJLS-QGZVFWFLSA-N 1 3 313.555 2.620 20 0 DFADHO CCn1nccc1CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000338573259 427388710 /nfs/dbraw/zinc/38/87/10/427388710.db2.gz UFBILZKXCUUKSI-CVEARBPZSA-N 1 3 304.482 2.688 20 0 DFADHO CCn1nccc1CCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338573259 427388715 /nfs/dbraw/zinc/38/87/15/427388715.db2.gz UFBILZKXCUUKSI-CVEARBPZSA-N 1 3 304.482 2.688 20 0 DFADHO CCn1nccc1CCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338573259 427388720 /nfs/dbraw/zinc/38/87/20/427388720.db2.gz UFBILZKXCUUKSI-CVEARBPZSA-N 1 3 304.482 2.688 20 0 DFADHO COC(=O)C(C)(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000338571940 427389105 /nfs/dbraw/zinc/38/91/05/427389105.db2.gz NSAJQMMCEPEJOL-GJZGRUSLSA-N 1 3 310.482 2.818 20 0 DFADHO COC(=O)C(C)(C)CCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338571940 427389109 /nfs/dbraw/zinc/38/91/09/427389109.db2.gz NSAJQMMCEPEJOL-GJZGRUSLSA-N 1 3 310.482 2.818 20 0 DFADHO COC(=O)C(C)(C)CCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338571940 427389114 /nfs/dbraw/zinc/38/91/14/427389114.db2.gz NSAJQMMCEPEJOL-GJZGRUSLSA-N 1 3 310.482 2.818 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000293720759 427413133 /nfs/dbraw/zinc/41/31/33/427413133.db2.gz NQOPCOMYFMDEJW-IUODEOHRSA-N 1 3 315.383 2.963 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000293720759 427413140 /nfs/dbraw/zinc/41/31/40/427413140.db2.gz NQOPCOMYFMDEJW-IUODEOHRSA-N 1 3 315.383 2.963 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000191465154 427357122 /nfs/dbraw/zinc/35/71/22/427357122.db2.gz WWPBITLQYHGECL-HXUWFJFHSA-N 1 3 315.505 2.892 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000191465154 427357129 /nfs/dbraw/zinc/35/71/29/427357129.db2.gz WWPBITLQYHGECL-HXUWFJFHSA-N 1 3 315.505 2.892 20 0 DFADHO C[C@H](CCO)CC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000297225235 427365906 /nfs/dbraw/zinc/36/59/06/427365906.db2.gz HMWHRQCIVOPABJ-HOTGVXAUSA-N 1 3 308.466 2.686 20 0 DFADHO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1)CN(C)C ZINC000293824255 427450502 /nfs/dbraw/zinc/45/05/02/427450502.db2.gz WGWRKEFWMHSBLK-OLZOCXBDSA-N 1 3 311.857 2.844 20 0 DFADHO C[C@H](CN[C@@H](C)CC(=O)Nc1cccc(Cl)c1)C[NH+](C)C ZINC000293824255 427450509 /nfs/dbraw/zinc/45/05/09/427450509.db2.gz WGWRKEFWMHSBLK-OLZOCXBDSA-N 1 3 311.857 2.844 20 0 DFADHO CC(C)CCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271301149 427488260 /nfs/dbraw/zinc/48/82/60/427488260.db2.gz SIHAQDZVVLAINY-HXUWFJFHSA-N 1 3 315.505 2.925 20 0 DFADHO CC(C)CCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271301149 427488264 /nfs/dbraw/zinc/48/82/64/427488264.db2.gz SIHAQDZVVLAINY-HXUWFJFHSA-N 1 3 315.505 2.925 20 0 DFADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)C1CCN(C2CC2)CC1 ZINC000338753193 427469091 /nfs/dbraw/zinc/46/90/91/427469091.db2.gz IOUYYUHMDIVJBP-UHFFFAOYSA-N 1 3 321.509 2.584 20 0 DFADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1CCN(C2CC2)CC1 ZINC000338753193 427469095 /nfs/dbraw/zinc/46/90/95/427469095.db2.gz IOUYYUHMDIVJBP-UHFFFAOYSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000263352186 427469541 /nfs/dbraw/zinc/46/95/41/427469541.db2.gz QBZKOFXVRADQBS-AEFFLSMTSA-N 1 3 317.477 2.705 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000263352186 427469547 /nfs/dbraw/zinc/46/95/47/427469547.db2.gz QBZKOFXVRADQBS-AEFFLSMTSA-N 1 3 317.477 2.705 20 0 DFADHO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000293872107 427472337 /nfs/dbraw/zinc/47/23/37/427472337.db2.gz YGCPONLMJIQDKU-WSIUPNEHSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@H]1OCC[C@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000293872107 427472344 /nfs/dbraw/zinc/47/23/44/427472344.db2.gz YGCPONLMJIQDKU-WSIUPNEHSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@H]1OCC[C@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000293872107 427472348 /nfs/dbraw/zinc/47/23/48/427472348.db2.gz YGCPONLMJIQDKU-WSIUPNEHSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338780721 427484771 /nfs/dbraw/zinc/48/47/71/427484771.db2.gz AAKOTQJMVYSWCL-DFQSSKMNSA-N 1 3 315.505 2.796 20 0 DFADHO CC[C@@H](C)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286086336 427420603 /nfs/dbraw/zinc/42/06/03/427420603.db2.gz SPDVDIPHJWXIFX-QUCCMNQESA-N 1 3 315.505 2.925 20 0 DFADHO CC[C@@H](C)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286086336 427420609 /nfs/dbraw/zinc/42/06/09/427420609.db2.gz SPDVDIPHJWXIFX-QUCCMNQESA-N 1 3 315.505 2.925 20 0 DFADHO C[C@@H]1C[N@H+](CCCN[C@H]2CCc3cc(F)ccc32)CCCO1 ZINC000278363087 427431020 /nfs/dbraw/zinc/43/10/20/427431020.db2.gz BLWYNIWRVGCSTN-KDOFPFPSSA-N 1 3 306.425 2.904 20 0 DFADHO C[C@@H]1C[N@@H+](CCCN[C@H]2CCc3cc(F)ccc32)CCCO1 ZINC000278363087 427431023 /nfs/dbraw/zinc/43/10/23/427431023.db2.gz BLWYNIWRVGCSTN-KDOFPFPSSA-N 1 3 306.425 2.904 20 0 DFADHO c1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CCN(c4ccncc4)CC3)[C@H]21 ZINC000298019104 427502641 /nfs/dbraw/zinc/50/26/41/427502641.db2.gz DLSLPOFMMZPBCS-ZCNNSNEGSA-N 1 3 305.425 2.978 20 0 DFADHO CC(C)[NH2+]C1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271365957 427510315 /nfs/dbraw/zinc/51/03/15/427510315.db2.gz OHZCSYLRWUCKHI-LJQANCHMSA-N 1 3 301.478 2.723 20 0 DFADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000298195984 427530323 /nfs/dbraw/zinc/53/03/23/427530323.db2.gz CRAVJRLNVGLDCK-WFASDCNBSA-N 1 3 316.367 2.813 20 0 DFADHO Cc1ccc([C@H](CNC2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000298225009 427539728 /nfs/dbraw/zinc/53/97/28/427539728.db2.gz ATBWWSODGGEEIK-IBGZPJMESA-N 1 3 301.478 2.814 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)CN(C)C ZINC000294073407 427539830 /nfs/dbraw/zinc/53/98/30/427539830.db2.gz HYBWQNCHVLUDSR-GJZGRUSLSA-N 1 3 319.449 2.882 20 0 DFADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000271449295 427540675 /nfs/dbraw/zinc/54/06/75/427540675.db2.gz DHALJMZNHCPHHV-UYHISHBKSA-N 1 3 324.415 2.993 20 0 DFADHO COc1ccc(CC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298245373 427545932 /nfs/dbraw/zinc/54/59/32/427545932.db2.gz CYMZXIMEZXAGPL-UHFFFAOYSA-N 1 3 311.429 2.891 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1C ZINC000339009701 427622453 /nfs/dbraw/zinc/62/24/53/427622453.db2.gz GKXCITQSJHMAEP-WBAXXEDZSA-N 1 3 308.441 2.534 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1C ZINC000339009701 427622455 /nfs/dbraw/zinc/62/24/55/427622455.db2.gz GKXCITQSJHMAEP-WBAXXEDZSA-N 1 3 308.441 2.534 20 0 DFADHO C[C@H](CNC(=O)c1ccc(CN2CCCCC2)cc1)C[NH+](C)C ZINC000294176295 427575474 /nfs/dbraw/zinc/57/54/74/427575474.db2.gz MOODTOWGDBEQRP-MRXNPFEDSA-N 1 3 317.477 2.600 20 0 DFADHO O[C@@H](CNCC(c1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000271694297 427581017 /nfs/dbraw/zinc/58/10/17/427581017.db2.gz OZSYNTACCGSHLM-FQEVSTJZSA-N 1 3 324.468 2.865 20 0 DFADHO C[C@@H]1[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000287408627 427602630 /nfs/dbraw/zinc/60/26/30/427602630.db2.gz RIHLFEMZNWGQSG-GSEOLPGOSA-N 1 3 313.489 2.866 20 0 DFADHO C[C@@H]1[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000287408627 427602634 /nfs/dbraw/zinc/60/26/34/427602634.db2.gz RIHLFEMZNWGQSG-GSEOLPGOSA-N 1 3 313.489 2.866 20 0 DFADHO COCc1cc([C@H](C)[NH2+]CCCN2CCCC2)ccc1OC ZINC000192747394 427602962 /nfs/dbraw/zinc/60/29/62/427602962.db2.gz DDDIIWUPAROYJS-HNNXBMFYSA-N 1 3 306.450 2.978 20 0 DFADHO C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)N1CCc2ccccc2C1 ZINC000192751612 427603008 /nfs/dbraw/zinc/60/30/08/427603008.db2.gz KKXWKHYKICRKMR-FAXKSRBJSA-N 1 3 313.489 2.648 20 0 DFADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCc2ccccc2C1 ZINC000192751612 427603014 /nfs/dbraw/zinc/60/30/14/427603014.db2.gz KKXWKHYKICRKMR-FAXKSRBJSA-N 1 3 313.489 2.648 20 0 DFADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCc2ccccc2C1 ZINC000192751612 427603017 /nfs/dbraw/zinc/60/30/17/427603017.db2.gz KKXWKHYKICRKMR-FAXKSRBJSA-N 1 3 313.489 2.648 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCC[C@@H](C)C1 ZINC000298434694 427608722 /nfs/dbraw/zinc/60/87/22/427608722.db2.gz NEVXBUDGECUHQU-SJORKVTESA-N 1 3 316.493 2.760 20 0 DFADHO CC[N@@H+]1CC[C@@H](NC[C@](C)(O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000185314072 427629708 /nfs/dbraw/zinc/62/97/08/427629708.db2.gz HVLOJKKSLFBSEQ-XYPHTWIQSA-N 1 3 310.869 2.867 20 0 DFADHO CC[N@H+]1CC[C@@H](NC[C@](C)(O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000185314072 427629717 /nfs/dbraw/zinc/62/97/17/427629717.db2.gz HVLOJKKSLFBSEQ-XYPHTWIQSA-N 1 3 310.869 2.867 20 0 DFADHO C[C@@](O)(C[NH2+]C1CCN(c2ccncc2)CC1)c1cccs1 ZINC000294339943 427630231 /nfs/dbraw/zinc/63/02/31/427630231.db2.gz YIVMTDRJSPSRHS-QGZVFWFLSA-N 1 3 317.458 2.609 20 0 DFADHO C[C@@H](CN1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000192936198 427637608 /nfs/dbraw/zinc/63/76/08/427637608.db2.gz RAEFFFQHTQIVOH-SFHVURJKSA-N 1 3 301.478 2.504 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000287566185 427641148 /nfs/dbraw/zinc/64/11/48/427641148.db2.gz BLMBBTRRWCEOAC-QGTPRVQTSA-N 1 3 324.896 2.906 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000287566185 427641156 /nfs/dbraw/zinc/64/11/56/427641156.db2.gz BLMBBTRRWCEOAC-QGTPRVQTSA-N 1 3 324.896 2.906 20 0 DFADHO CC(C)[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCCC1 ZINC000298558832 427649981 /nfs/dbraw/zinc/64/99/81/427649981.db2.gz VRCBKFDJLVLOLJ-IBGZPJMESA-N 1 3 316.493 2.760 20 0 DFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cccc(CN(C)C)c1 ZINC000185423941 427652408 /nfs/dbraw/zinc/65/24/08/427652408.db2.gz ZUJOPRFLPDCUJX-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@H]1CCCCN1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298607092 427656727 /nfs/dbraw/zinc/65/67/27/427656727.db2.gz ZTHLTMAGGFGNCK-INIZCTEOSA-N 1 3 302.466 2.514 20 0 DFADHO CC(C)(C)c1cn2c(n1)CC[C@H](N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000339068044 427658858 /nfs/dbraw/zinc/65/88/58/427658858.db2.gz JLUJRBNEGDCODF-OWCLPIDISA-N 1 3 316.493 2.712 20 0 DFADHO CC(C)(C)c1cn2c(n1)CC[C@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000339068044 427658865 /nfs/dbraw/zinc/65/88/65/427658865.db2.gz JLUJRBNEGDCODF-OWCLPIDISA-N 1 3 316.493 2.712 20 0 DFADHO CCCN1CCC([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000279406112 427664045 /nfs/dbraw/zinc/66/40/45/427664045.db2.gz DJAGEZWRQGTBMM-MRXNPFEDSA-N 1 3 314.832 2.977 20 0 DFADHO OC1CC[NH+](CCCN[C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343109691 272088388 /nfs/dbraw/zinc/08/83/88/272088388.db2.gz QEOROELTEGBRDF-KRWDZBQOSA-N 1 3 308.853 2.764 20 0 DFADHO CCc1cc(N(C)C[C@H]2C[C@@H](OC)C[N@@H+]2C)c2ccccc2n1 ZINC000343299289 272115048 /nfs/dbraw/zinc/11/50/48/272115048.db2.gz BDZGILDLYMDDOK-HZPDHXFCSA-N 1 3 313.445 2.953 20 0 DFADHO CCc1cc(N(C)C[C@H]2C[C@@H](OC)C[N@H+]2C)c2ccccc2n1 ZINC000343299289 272115050 /nfs/dbraw/zinc/11/50/50/272115050.db2.gz BDZGILDLYMDDOK-HZPDHXFCSA-N 1 3 313.445 2.953 20 0 DFADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCOCCN(C)C ZINC000343460227 272152179 /nfs/dbraw/zinc/15/21/79/272152179.db2.gz SOFDCJGYTREZNE-ZDUSSCGKSA-N 1 3 318.383 2.804 20 0 DFADHO Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000344119518 272267588 /nfs/dbraw/zinc/26/75/88/272267588.db2.gz PDVMTMPZIWHRSK-CQSZACIVSA-N 1 3 324.432 2.507 20 0 DFADHO c1cc(OCC[NH+]2CCCC2)ccc1CNCC1=CCCOC1 ZINC000344359701 272320383 /nfs/dbraw/zinc/32/03/83/272320383.db2.gz VRFURHYHOFZESB-UHFFFAOYSA-N 1 3 316.445 2.598 20 0 DFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000344679398 272355869 /nfs/dbraw/zinc/35/58/69/272355869.db2.gz YNUCYODYBYVILH-INIZCTEOSA-N 1 3 323.525 2.735 20 0 DFADHO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000344832621 272375777 /nfs/dbraw/zinc/37/57/77/272375777.db2.gz PBULRGKNMKFJFO-ONCXSQPRSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H]([NH2+]C[C@H](O)c1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185678156 427688697 /nfs/dbraw/zinc/68/86/97/427688697.db2.gz XZELOUXRFLMRIM-WDYCEAGBSA-N 1 3 302.462 2.963 20 0 DFADHO C[C@@H]([NH2+]C1CCN(C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272270106 427690307 /nfs/dbraw/zinc/69/03/07/427690307.db2.gz BCZCWBDVRREMFY-SJLPKXTDSA-N 1 3 301.478 2.581 20 0 DFADHO CC(C)[NH+]1CCC(N[C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287845945 427702563 /nfs/dbraw/zinc/70/25/63/427702563.db2.gz WMPQQPNIHQNPMD-OAHLLOKOSA-N 1 3 313.449 2.791 20 0 DFADHO CN1C[C@@H]2C[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000193639985 427704049 /nfs/dbraw/zinc/70/40/49/427704049.db2.gz HSWRHKUMVOHJPF-BETUJISGSA-N 1 3 314.351 2.578 20 0 DFADHO CN1C[C@@H]2C[N@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000193639985 427704054 /nfs/dbraw/zinc/70/40/54/427704054.db2.gz HSWRHKUMVOHJPF-BETUJISGSA-N 1 3 314.351 2.578 20 0 DFADHO c1ccc(CCCO[C@@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000339427853 427773069 /nfs/dbraw/zinc/77/30/69/427773069.db2.gz DZNIPFUCSRVSBP-RTBURBONSA-N 1 3 302.462 2.710 20 0 DFADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000279854016 427725328 /nfs/dbraw/zinc/72/53/28/427725328.db2.gz INTONENYAJNQFM-UHFFFAOYSA-N 1 3 321.856 2.598 20 0 DFADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000194118864 427732034 /nfs/dbraw/zinc/73/20/34/427732034.db2.gz VKJGFHHWQLKSBM-BSDSXHPESA-N 1 3 306.494 2.902 20 0 DFADHO COc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1Br ZINC000336699264 427749285 /nfs/dbraw/zinc/74/92/85/427749285.db2.gz JJBBYDTZYUYSRT-VHSXEESVSA-N 1 3 301.228 2.703 20 0 DFADHO CC(C)N1CCN(CCC[NH2+]C2(c3ccc(F)cc3)CC2)CC1 ZINC000337323268 427843481 /nfs/dbraw/zinc/84/34/81/427843481.db2.gz SETLPTDDQFCNLS-UHFFFAOYSA-N 1 3 319.468 2.821 20 0 DFADHO CC(C)OC[C@H](C)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000337325030 427847194 /nfs/dbraw/zinc/84/71/94/427847194.db2.gz BQRCQGFCGWACOQ-PKOBYXMFSA-N 1 3 304.478 2.954 20 0 DFADHO CC(C)OC[C@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000337325030 427847199 /nfs/dbraw/zinc/84/71/99/427847199.db2.gz BQRCQGFCGWACOQ-PKOBYXMFSA-N 1 3 304.478 2.954 20 0 DFADHO CC(C)[C@@H](Cn1cccn1)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000340472560 427856130 /nfs/dbraw/zinc/85/61/30/427856130.db2.gz DMHYPZSNXPKASF-FGTMMUONSA-N 1 3 306.498 2.865 20 0 DFADHO CC(C)[C@@H](Cn1cccn1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340472560 427856134 /nfs/dbraw/zinc/85/61/34/427856134.db2.gz DMHYPZSNXPKASF-FGTMMUONSA-N 1 3 306.498 2.865 20 0 DFADHO CC(C)[C@@H](Cn1cccn1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340472560 427856140 /nfs/dbraw/zinc/85/61/40/427856140.db2.gz DMHYPZSNXPKASF-FGTMMUONSA-N 1 3 306.498 2.865 20 0 DFADHO CC(C)CN(CCN(C)C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000340527110 427871377 /nfs/dbraw/zinc/87/13/77/427871377.db2.gz BWFLLXZNJIZGSK-KRWDZBQOSA-N 1 3 323.525 2.687 20 0 DFADHO CC(C)CN(CCN(C)C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000340527110 427871383 /nfs/dbraw/zinc/87/13/83/427871383.db2.gz BWFLLXZNJIZGSK-KRWDZBQOSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)N1CCCCCC1 ZINC000345775764 427902297 /nfs/dbraw/zinc/90/22/97/427902297.db2.gz JENALPSPENXELU-MHORFTMASA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)N1CCCCCC1 ZINC000345775764 427902300 /nfs/dbraw/zinc/90/23/00/427902300.db2.gz JENALPSPENXELU-MHORFTMASA-N 1 3 323.525 2.734 20 0 DFADHO CCC[C@H](C(=O)NC[C@@H]([NH2+][C@@H](C)CC)c1ccco1)N(C)C ZINC000359551140 427905400 /nfs/dbraw/zinc/90/54/00/427905400.db2.gz ZMWSGOVNSLUNGG-RRFJBIMHSA-N 1 3 309.454 2.555 20 0 DFADHO CCC[C@H](C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1)[NH+](C)C ZINC000359551140 427905405 /nfs/dbraw/zinc/90/54/05/427905405.db2.gz ZMWSGOVNSLUNGG-RRFJBIMHSA-N 1 3 309.454 2.555 20 0 DFADHO CC[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)[NH+](CC)CC ZINC000345815552 427919202 /nfs/dbraw/zinc/91/92/02/427919202.db2.gz WHBALRDGNKQADL-ROUUACIJSA-N 1 3 319.493 2.834 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000337584301 427968827 /nfs/dbraw/zinc/96/88/27/427968827.db2.gz DIGINIWAAPPCAS-BHYGNILZSA-N 1 3 318.461 2.851 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000337584301 427968829 /nfs/dbraw/zinc/96/88/29/427968829.db2.gz DIGINIWAAPPCAS-BHYGNILZSA-N 1 3 318.461 2.851 20 0 DFADHO CC[NH2+]CC1CCN(Cc2ccc(OCCOC)cc2)CC1 ZINC000347005214 272710611 /nfs/dbraw/zinc/71/06/11/272710611.db2.gz BMNZVXDBKMVSDQ-UHFFFAOYSA-N 1 3 306.450 2.533 20 0 DFADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc(CN(C)C)cc1 ZINC000341034947 427975340 /nfs/dbraw/zinc/97/53/40/427975340.db2.gz HPBICYZXQWEQMS-HOTGVXAUSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2N(C)C)C[C@@H](C)O1 ZINC000340175809 427945523 /nfs/dbraw/zinc/94/55/23/427945523.db2.gz QADANHWUCAXMEC-IAGOWNOFSA-N 1 3 319.493 2.732 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cc(C)c(C)o2)CC1 ZINC000337532825 427948003 /nfs/dbraw/zinc/94/80/03/427948003.db2.gz WIIWIYYJRKVWRJ-MRXNPFEDSA-N 1 3 307.482 2.965 20 0 DFADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(C(=O)OC)cc1 ZINC000340188848 427949393 /nfs/dbraw/zinc/94/93/93/427949393.db2.gz QKLQEKKEZUCRJT-RHSMWYFYSA-N 1 3 304.434 2.856 20 0 DFADHO CC[NH+](CC)CCOc1ccccc1CNC1CC(OC)C1 ZINC000347313358 272770844 /nfs/dbraw/zinc/77/08/44/272770844.db2.gz ZLEZVWDHEWSZQP-UHFFFAOYSA-N 1 3 306.450 2.674 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000346132519 428029306 /nfs/dbraw/zinc/02/93/06/428029306.db2.gz BXNSPULQCFKTBP-IRXDYDNUSA-N 1 3 323.525 2.830 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000346132519 428029311 /nfs/dbraw/zinc/02/93/11/428029311.db2.gz BXNSPULQCFKTBP-IRXDYDNUSA-N 1 3 323.525 2.830 20 0 DFADHO CN(Cc1cc(-n2ccnc2)cs1)C[C@@H]1CCC[N@H+](C)C1 ZINC000346142281 428037369 /nfs/dbraw/zinc/03/73/69/428037369.db2.gz PAUNZHBQIQHISR-CQSZACIVSA-N 1 3 304.463 2.707 20 0 DFADHO CN(Cc1cc(-n2ccnc2)cs1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000346142281 428037370 /nfs/dbraw/zinc/03/73/70/428037370.db2.gz PAUNZHBQIQHISR-CQSZACIVSA-N 1 3 304.463 2.707 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC3(C2)CCCCC3)CC1 ZINC000369618878 428019209 /nfs/dbraw/zinc/01/92/09/428019209.db2.gz NGJVTHRNCRMSFS-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C)[C@@H]2c2ccccc2)CCN1C ZINC000369851615 428075256 /nfs/dbraw/zinc/07/52/56/428075256.db2.gz KFIOUIATGOGDEN-NXWXRZEISA-N 1 3 301.478 2.752 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000356248773 428087099 /nfs/dbraw/zinc/08/70/99/428087099.db2.gz FAVNGVCXEYYYKD-BPQIPLTHSA-N 1 3 319.493 2.961 20 0 DFADHO C[C@@H]1CCCCN1CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000360007762 428115402 /nfs/dbraw/zinc/11/54/02/428115402.db2.gz RDAYVHHMNXDLFT-SJORKVTESA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1CCCCN1CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000360007762 428115408 /nfs/dbraw/zinc/11/54/08/428115408.db2.gz RDAYVHHMNXDLFT-SJORKVTESA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000351864654 428116939 /nfs/dbraw/zinc/11/69/39/428116939.db2.gz YTBADYOSXAQKJQ-WBVHZDCISA-N 1 3 311.429 2.830 20 0 DFADHO CN1CC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1cccs1 ZINC000370160087 428146252 /nfs/dbraw/zinc/14/62/52/428146252.db2.gz FNLRGJMJXBCGQC-ZFWWWQNUSA-N 1 3 306.479 2.751 20 0 DFADHO C[N@H+](CC[C@@H]1CCCO1)[C@H]1CCCN(CC[C@H]2CCCO2)CC1 ZINC000346424557 428164576 /nfs/dbraw/zinc/16/45/76/428164576.db2.gz CTIATEXLQDMEDU-GBESFXJTSA-N 1 3 324.509 2.911 20 0 DFADHO C[N@@H+](CC[C@@H]1CCCO1)[C@H]1CCCN(CC[C@H]2CCCO2)CC1 ZINC000346424557 428164578 /nfs/dbraw/zinc/16/45/78/428164578.db2.gz CTIATEXLQDMEDU-GBESFXJTSA-N 1 3 324.509 2.911 20 0 DFADHO CN(CC[C@@H]1CCCO1)[C@H]1CCC[N@H+](CC[C@H]2CCCO2)CC1 ZINC000346424557 428164583 /nfs/dbraw/zinc/16/45/83/428164583.db2.gz CTIATEXLQDMEDU-GBESFXJTSA-N 1 3 324.509 2.911 20 0 DFADHO CN(CC[C@@H]1CCCO1)[C@H]1CCC[N@@H+](CC[C@H]2CCCO2)CC1 ZINC000346424557 428164589 /nfs/dbraw/zinc/16/45/89/428164589.db2.gz CTIATEXLQDMEDU-GBESFXJTSA-N 1 3 324.509 2.911 20 0 DFADHO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)s1 ZINC000377623480 428177062 /nfs/dbraw/zinc/17/70/62/428177062.db2.gz FAXDQIZSYSQLKS-MRXNPFEDSA-N 1 3 307.507 2.657 20 0 DFADHO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)s1 ZINC000377623480 428177066 /nfs/dbraw/zinc/17/70/66/428177066.db2.gz FAXDQIZSYSQLKS-MRXNPFEDSA-N 1 3 307.507 2.657 20 0 DFADHO CN(CCSC(C)(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370286377 428177433 /nfs/dbraw/zinc/17/74/33/428177433.db2.gz VEJJZBBKPNJSBT-INIZCTEOSA-N 1 3 313.555 2.618 20 0 DFADHO CN(CCSC(C)(C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370286377 428177440 /nfs/dbraw/zinc/17/74/40/428177440.db2.gz VEJJZBBKPNJSBT-INIZCTEOSA-N 1 3 313.555 2.618 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@H]1C[C@@H]1C ZINC000414107837 428209026 /nfs/dbraw/zinc/20/90/26/428209026.db2.gz ZGLNBHWCDOKARE-WBAXXEDZSA-N 1 3 317.477 2.502 20 0 DFADHO Cc1n[nH]c(C)c1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000356523046 428218551 /nfs/dbraw/zinc/21/85/51/428218551.db2.gz JMGQIBCESLRYRT-MOPGFXCFSA-N 1 3 324.472 2.980 20 0 DFADHO Cc1n[nH]c(C)c1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000356523046 428218553 /nfs/dbraw/zinc/21/85/53/428218553.db2.gz JMGQIBCESLRYRT-MOPGFXCFSA-N 1 3 324.472 2.980 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)cn1 ZINC000414151732 428218855 /nfs/dbraw/zinc/21/88/55/428218855.db2.gz ZCKQIWYNFRUPOO-OAHLLOKOSA-N 1 3 305.466 2.733 20 0 DFADHO COc1ccc(C[C@@H](C)NCC(C)(C)C[NH+]2CCCC2)cn1 ZINC000414151732 428218861 /nfs/dbraw/zinc/21/88/61/428218861.db2.gz ZCKQIWYNFRUPOO-OAHLLOKOSA-N 1 3 305.466 2.733 20 0 DFADHO Cc1nnc([C@H]2CC23CC[NH+](CC[C@H]2CCCCN2C)CC3)o1 ZINC000370496219 428223406 /nfs/dbraw/zinc/22/34/06/428223406.db2.gz LSECVOZCYAMNBU-HZPDHXFCSA-N 1 3 318.465 2.822 20 0 DFADHO C[C@H]1C[C@@H](NCCc2cnccn2)CC[N@@H+]1Cc1ccccc1 ZINC000341875338 428239112 /nfs/dbraw/zinc/23/91/12/428239112.db2.gz LFYKZRFTVJHXFG-WMZOPIPTSA-N 1 3 310.445 2.662 20 0 DFADHO C[C@H]1C[C@@H](NCCc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC000341875338 428239116 /nfs/dbraw/zinc/23/91/16/428239116.db2.gz LFYKZRFTVJHXFG-WMZOPIPTSA-N 1 3 310.445 2.662 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C)N1CCCCC1 ZINC000377662072 428187352 /nfs/dbraw/zinc/18/73/52/428187352.db2.gz LVFPJNBWKOZATK-FGTMMUONSA-N 1 3 321.509 2.582 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C)N1CCCCC1 ZINC000377662072 428187358 /nfs/dbraw/zinc/18/73/58/428187358.db2.gz LVFPJNBWKOZATK-FGTMMUONSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1C[C@H]1C ZINC000414076700 428197796 /nfs/dbraw/zinc/19/77/96/428197796.db2.gz QIALKSYJXPOFAA-GPMSIDNRSA-N 1 3 301.478 2.568 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(CN(C)C)c2)cn1 ZINC000414074009 428198689 /nfs/dbraw/zinc/19/86/89/428198689.db2.gz WLJBPJCUDZVOAP-HNNXBMFYSA-N 1 3 313.445 2.873 20 0 DFADHO CC[C@@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1ccc(F)cn1 ZINC000352685267 428204591 /nfs/dbraw/zinc/20/45/91/428204591.db2.gz SWAHRUPSNMKVCE-DOTOQJQBSA-N 1 3 322.472 2.535 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000414344234 428263427 /nfs/dbraw/zinc/26/34/27/428263427.db2.gz KIVZSCKUVKEFLM-LESCRADOSA-N 1 3 305.441 2.724 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000414344234 428263430 /nfs/dbraw/zinc/26/34/30/428263430.db2.gz KIVZSCKUVKEFLM-LESCRADOSA-N 1 3 305.441 2.724 20 0 DFADHO CC[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N(CC)CC ZINC000346670047 428264896 /nfs/dbraw/zinc/26/48/96/428264896.db2.gz SALNGTWVLMKFAM-QGZVFWFLSA-N 1 3 309.498 2.584 20 0 DFADHO CC[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)N(CC)CC ZINC000346670047 428264900 /nfs/dbraw/zinc/26/49/00/428264900.db2.gz SALNGTWVLMKFAM-QGZVFWFLSA-N 1 3 309.498 2.584 20 0 DFADHO [NH3+]CC1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000346686944 428273339 /nfs/dbraw/zinc/27/33/39/428273339.db2.gz LCBMQWKRNXCVNZ-UHFFFAOYSA-N 1 3 302.340 2.798 20 0 DFADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cccc(OCc2ccccn2)c1 ZINC000346693183 428274964 /nfs/dbraw/zinc/27/49/64/428274964.db2.gz LFHJBKKWOIZOLX-RDJZCZTQSA-N 1 3 311.429 2.830 20 0 DFADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cccc(OCC(F)(F)F)c1 ZINC000346694597 428277029 /nfs/dbraw/zinc/27/70/29/428277029.db2.gz VBCWJSZBRRCRNO-YPMHNXCESA-N 1 3 302.340 2.797 20 0 DFADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(OCC(F)(F)F)cc1 ZINC000346694081 428277409 /nfs/dbraw/zinc/27/74/09/428277409.db2.gz RTVTYJGTRXBMFV-DGCLKSJQSA-N 1 3 302.340 2.797 20 0 DFADHO COCCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000341896654 428245014 /nfs/dbraw/zinc/24/50/14/428245014.db2.gz IWVIESAMNGSRHP-HLLBOEOZSA-N 1 3 306.450 2.530 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000356607742 428252674 /nfs/dbraw/zinc/25/26/74/428252674.db2.gz YEJXJUWBDXVYJM-DOTOQJQBSA-N 1 3 309.498 2.630 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000356607742 428252677 /nfs/dbraw/zinc/25/26/77/428252677.db2.gz YEJXJUWBDXVYJM-DOTOQJQBSA-N 1 3 309.498 2.630 20 0 DFADHO CN(C)CCN1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352812526 428260516 /nfs/dbraw/zinc/26/05/16/428260516.db2.gz FZCWGPXYZMEYIR-ARJAWSKDSA-N 1 3 323.431 2.594 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@]1(CC)CC[NH2+]C1)c1ccsc1 ZINC000370847311 428308151 /nfs/dbraw/zinc/30/81/51/428308151.db2.gz RAGNYQMEQVZSOW-NVXWUHKLSA-N 1 3 323.506 2.637 20 0 DFADHO COC[C@@H](Cc1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000360494146 428320336 /nfs/dbraw/zinc/32/03/36/428320336.db2.gz CAVBHLPTEVPQPQ-GOSISDBHSA-N 1 3 302.462 2.851 20 0 DFADHO Cc1ccnc(NC[C@@H]2CC[N@@H+](CCN3CCC(C)CC3)C2)c1 ZINC000378167632 428323422 /nfs/dbraw/zinc/32/34/22/428323422.db2.gz BGEUALRJCISRJN-SFHVURJKSA-N 1 3 316.493 2.856 20 0 DFADHO Cc1ccnc(NC[C@@H]2CC[N@H+](CCN3CCC(C)CC3)C2)c1 ZINC000378167632 428323427 /nfs/dbraw/zinc/32/34/27/428323427.db2.gz BGEUALRJCISRJN-SFHVURJKSA-N 1 3 316.493 2.856 20 0 DFADHO COc1ccc(OCCCN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342152816 428325733 /nfs/dbraw/zinc/32/57/33/428325733.db2.gz YTBLABFXXBXGIE-JCGIZDLHSA-N 1 3 304.434 2.523 20 0 DFADHO Cc1cn2c(n1)[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)CCC2 ZINC000378181620 428328104 /nfs/dbraw/zinc/32/81/04/428328104.db2.gz DFHXATYKBAJJND-HNNXBMFYSA-N 1 3 304.482 2.921 20 0 DFADHO Cc1cn2c(n1)[C@H](CNC1CC[NH+](C(C)(C)C)CC1)CCC2 ZINC000378181620 428328108 /nfs/dbraw/zinc/32/81/08/428328108.db2.gz DFHXATYKBAJJND-HNNXBMFYSA-N 1 3 304.482 2.921 20 0 DFADHO COCCCOc1cccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000346826688 428335263 /nfs/dbraw/zinc/33/52/63/428335263.db2.gz MAMGBGLPXPSRQI-WDSOQIARSA-N 1 3 318.461 2.661 20 0 DFADHO C[C@@H]([NH2+]Cc1ccccc1OCCN(C)C)[C@H]1CCCOC1 ZINC000356848849 428337053 /nfs/dbraw/zinc/33/70/53/428337053.db2.gz PDQFDEUXSJCSEQ-WBVHZDCISA-N 1 3 306.450 2.532 20 0 DFADHO CC(C)CSCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000378248764 428345473 /nfs/dbraw/zinc/34/54/73/428345473.db2.gz ZXGRQFAXQHESDA-BRWVUGGUSA-N 1 3 314.539 2.949 20 0 DFADHO CCc1cccnc1[C@H](C)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000356887502 428349933 /nfs/dbraw/zinc/34/99/33/428349933.db2.gz YOWYGPGAWFLSJL-DOTOQJQBSA-N 1 3 305.466 2.532 20 0 DFADHO CCc1cccnc1[C@H](C)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000356887502 428349936 /nfs/dbraw/zinc/34/99/36/428349936.db2.gz YOWYGPGAWFLSJL-DOTOQJQBSA-N 1 3 305.466 2.532 20 0 DFADHO FC(F)(F)c1ccn(C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000346972544 428390614 /nfs/dbraw/zinc/39/06/14/428390614.db2.gz HUJDUFWLHGFAEC-GFCCVEGCSA-N 1 3 316.371 2.538 20 0 DFADHO Cc1ncsc1CN(C)C[C@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414742940 428391472 /nfs/dbraw/zinc/39/14/72/428391472.db2.gz MRPXEYLSFYUCSW-OAHLLOKOSA-N 1 3 324.538 2.593 20 0 DFADHO CC(C)C[C@H](N)C[N@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000414750873 428392492 /nfs/dbraw/zinc/39/24/92/428392492.db2.gz YZQVPRQOILCNNF-DLBZAZTESA-N 1 3 308.466 2.510 20 0 DFADHO CC(C)C[C@H](N)C[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000414750873 428392495 /nfs/dbraw/zinc/39/24/95/428392495.db2.gz YZQVPRQOILCNNF-DLBZAZTESA-N 1 3 308.466 2.510 20 0 DFADHO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414751220 428393632 /nfs/dbraw/zinc/39/36/32/428393632.db2.gz AAMGUXZLMNCWPH-LMSBXDPUSA-N 1 3 316.445 2.753 20 0 DFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCNC[C@@](C)(F)C1 ZINC000414764487 428399366 /nfs/dbraw/zinc/39/93/66/428399366.db2.gz DMWZDNMECSQXRS-LJQANCHMSA-N 1 3 321.484 2.778 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCNC[C@@](C)(F)C1 ZINC000414764487 428399370 /nfs/dbraw/zinc/39/93/70/428399370.db2.gz DMWZDNMECSQXRS-LJQANCHMSA-N 1 3 321.484 2.778 20 0 DFADHO C[C@H](C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000414774058 428400335 /nfs/dbraw/zinc/40/03/35/428400335.db2.gz FDPLXHZQGAUMCE-GDBMZVCRSA-N 1 3 306.425 2.617 20 0 DFADHO C[C@H](C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000414774058 428400342 /nfs/dbraw/zinc/40/03/42/428400342.db2.gz FDPLXHZQGAUMCE-GDBMZVCRSA-N 1 3 306.425 2.617 20 0 DFADHO CCCOc1cccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414794688 428414339 /nfs/dbraw/zinc/41/43/39/428414339.db2.gz VQOQAXURKWYBAM-KRWDZBQOSA-N 1 3 318.461 2.663 20 0 DFADHO CCCc1cccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414776283 428404778 /nfs/dbraw/zinc/40/47/78/428404778.db2.gz GXAZDSZBYCHGIU-SFHVURJKSA-N 1 3 302.462 2.826 20 0 DFADHO c1nn(Cc2ccccc2)cc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780630 428404939 /nfs/dbraw/zinc/40/49/39/428404939.db2.gz LUKJVLCUHONJQC-PMACEKPBSA-N 1 3 324.472 2.753 20 0 DFADHO CCn1nc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2ccccc21 ZINC000414788179 428410172 /nfs/dbraw/zinc/41/01/72/428410172.db2.gz WJODZWNKFQMYJY-HOTGVXAUSA-N 1 3 312.461 2.878 20 0 DFADHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CCNCC1 ZINC000414786556 428410840 /nfs/dbraw/zinc/41/08/40/428410840.db2.gz XDMPUDJQFLWXAZ-SNVBAGLBSA-N 1 3 315.230 2.861 20 0 DFADHO COc1cc2c(c(CN3CCC([C@H](C)[NH3+])CC3)c1)O[C@@H](C)C2 ZINC000347025428 428410835 /nfs/dbraw/zinc/41/08/35/428410835.db2.gz SDTRBBLZWZNQTB-STQMWFEESA-N 1 3 304.434 2.578 20 0 DFADHO C[C@H](Cc1ccc(Br)c(F)c1)NC1CC[NH2+]CC1 ZINC000414786556 428410843 /nfs/dbraw/zinc/41/08/43/428410843.db2.gz XDMPUDJQFLWXAZ-SNVBAGLBSA-N 1 3 315.230 2.861 20 0 DFADHO COc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1OCC(C)C ZINC000414794755 428413314 /nfs/dbraw/zinc/41/33/14/428413314.db2.gz MCTSXQBCVCRDFE-CVEARBPZSA-N 1 3 306.450 2.947 20 0 DFADHO CC(C)CC[NH+]1CCC(CNC(=O)CC2CCN(C)CC2)CC1 ZINC000346903077 428365627 /nfs/dbraw/zinc/36/56/27/428365627.db2.gz VVTKKAWGGBIUKR-UHFFFAOYSA-N 1 3 323.525 2.593 20 0 DFADHO COc1ccc(CN2CCCN(C[C@H]([NH3+])CC(C)C)CC2)cc1 ZINC000414675552 428372893 /nfs/dbraw/zinc/37/28/93/428372893.db2.gz TZRHLKCUFLHDED-GOSISDBHSA-N 1 3 319.493 2.576 20 0 DFADHO CCOC(=O)CCCC[N@@H+]1CCC[C@@H](CN2CCCCC2)C1 ZINC000371174196 428376320 /nfs/dbraw/zinc/37/63/20/428376320.db2.gz BTYOITXUSIOKKV-KRWDZBQOSA-N 1 3 310.482 2.918 20 0 DFADHO CCOC(=O)CCCC[N@H+]1CCC[C@@H](CN2CCCCC2)C1 ZINC000371174196 428376322 /nfs/dbraw/zinc/37/63/22/428376322.db2.gz BTYOITXUSIOKKV-KRWDZBQOSA-N 1 3 310.482 2.918 20 0 DFADHO CCN(C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000414693865 428378731 /nfs/dbraw/zinc/37/87/31/428378731.db2.gz MMJGRZXZBAABAW-JFIYKMOQSA-N 1 3 315.461 2.502 20 0 DFADHO C[C@@H]1C[C@H](CN2CCO[C@@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC000414702401 428381342 /nfs/dbraw/zinc/38/13/42/428381342.db2.gz BJIVGDKPAZXEDY-QRQLOZEOSA-N 1 3 302.462 2.708 20 0 DFADHO CCN(CC(=O)Nc1c(C)cccc1C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414713058 428382911 /nfs/dbraw/zinc/38/29/11/428382911.db2.gz UVGUAIDDQQVXAU-IAGOWNOFSA-N 1 3 317.477 2.952 20 0 DFADHO COc1ccc(CNCC[C@@H]2CCC[NH2+]C2)c(OC(F)F)c1 ZINC000414856314 428435849 /nfs/dbraw/zinc/43/58/49/428435849.db2.gz YRLGHWFAWXDFBK-LBPRGKRZSA-N 1 3 314.376 2.776 20 0 DFADHO c1cn(-c2ccc(CNCCC[NH2+]Cc3cccnc3)cc2)cn1 ZINC000414877315 428442119 /nfs/dbraw/zinc/44/21/19/428442119.db2.gz MAOGFJUNUGQTTQ-UHFFFAOYSA-N 1 3 321.428 2.537 20 0 DFADHO CC(C)N(C)CC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000357229660 428446119 /nfs/dbraw/zinc/44/61/19/428446119.db2.gz IHWHLZFJQONBFP-PKOBYXMFSA-N 1 3 303.494 2.827 20 0 DFADHO COc1ccc(CNC[C@@H](C)C[NH3+])cc1OCc1ccccc1 ZINC000414886397 428447804 /nfs/dbraw/zinc/44/78/04/428447804.db2.gz YABZYMTZXSCHJR-HNNXBMFYSA-N 1 3 314.429 2.959 20 0 DFADHO Clc1ccc(CN2CCC(NC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000414898692 428449651 /nfs/dbraw/zinc/44/96/51/428449651.db2.gz BVVNOISEJPIVKK-HNNXBMFYSA-N 1 3 307.869 2.504 20 0 DFADHO C[C@@H](CC[NH3+])NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414895145 428449880 /nfs/dbraw/zinc/44/98/80/428449880.db2.gz MLEJKEQCOJYIMH-HNNXBMFYSA-N 1 3 321.428 2.761 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000360812229 428450949 /nfs/dbraw/zinc/45/09/49/428450949.db2.gz RERLIUKTXBFCGO-ZSGPHXLJSA-N 1 3 305.441 2.643 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000360812229 428450950 /nfs/dbraw/zinc/45/09/50/428450950.db2.gz RERLIUKTXBFCGO-ZSGPHXLJSA-N 1 3 305.441 2.643 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414904039 428453199 /nfs/dbraw/zinc/45/31/99/428453199.db2.gz JLQLXZHINLSDED-YJBOKZPZSA-N 1 3 303.450 2.691 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414904039 428453203 /nfs/dbraw/zinc/45/32/03/428453203.db2.gz JLQLXZHINLSDED-YJBOKZPZSA-N 1 3 303.450 2.691 20 0 DFADHO C[C@@H]1CCNC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000414925373 428459326 /nfs/dbraw/zinc/45/93/26/428459326.db2.gz JMYCNDSUAAGHTJ-NEPXVJNWSA-N 1 3 301.478 2.627 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414943669 428466802 /nfs/dbraw/zinc/46/68/02/428466802.db2.gz FRSSGRMOPALYAK-DZKIICNBSA-N 1 3 303.450 2.696 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414943669 428466806 /nfs/dbraw/zinc/46/68/06/428466806.db2.gz FRSSGRMOPALYAK-DZKIICNBSA-N 1 3 303.450 2.696 20 0 DFADHO COc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1OC(F)F ZINC000414797794 428415727 /nfs/dbraw/zinc/41/57/27/428415727.db2.gz PNXNTRYXSRIDCH-VXGBXAGGSA-N 1 3 300.349 2.514 20 0 DFADHO C[C@@H]([NH3+])C1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000347039420 428417931 /nfs/dbraw/zinc/41/79/31/428417931.db2.gz JFQLTTDTFMVYRZ-CYBMUJFWSA-N 1 3 302.397 2.571 20 0 DFADHO COc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)cc(OC)c1O ZINC000414817806 428420604 /nfs/dbraw/zinc/42/06/04/428420604.db2.gz TXNZNMNYHHCMOF-LBPRGKRZSA-N 1 3 316.401 2.719 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H]1CCC[NH2+]C1 ZINC000414824891 428423800 /nfs/dbraw/zinc/42/38/00/428423800.db2.gz GHFHZYVKNBZEDO-KBPBESRZSA-N 1 3 323.868 2.955 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000414824891 428423806 /nfs/dbraw/zinc/42/38/06/428423806.db2.gz GHFHZYVKNBZEDO-KBPBESRZSA-N 1 3 323.868 2.955 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC000414826902 428425865 /nfs/dbraw/zinc/42/58/65/428425865.db2.gz JXYREXZNOCAZNN-LSDHHAIUSA-N 1 3 303.450 2.555 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000414826902 428425869 /nfs/dbraw/zinc/42/58/69/428425869.db2.gz JXYREXZNOCAZNN-LSDHHAIUSA-N 1 3 303.450 2.555 20 0 DFADHO CN(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360758267 428426286 /nfs/dbraw/zinc/42/62/86/428426286.db2.gz GCKRYMIMYZFUFM-CUDHKJQZSA-N 1 3 313.489 2.821 20 0 DFADHO CN(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360758267 428426288 /nfs/dbraw/zinc/42/62/88/428426288.db2.gz GCKRYMIMYZFUFM-CUDHKJQZSA-N 1 3 313.489 2.821 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414837004 428429913 /nfs/dbraw/zinc/42/99/13/428429913.db2.gz VHWIMURDDCHURF-ZIAGYGMSSA-N 1 3 323.868 2.955 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCNC2)c(Cl)c1 ZINC000414837004 428429916 /nfs/dbraw/zinc/42/99/16/428429916.db2.gz VHWIMURDDCHURF-ZIAGYGMSSA-N 1 3 323.868 2.955 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000414837841 428431018 /nfs/dbraw/zinc/43/10/18/428431018.db2.gz VZOMYQIKMIGDAZ-PMRDEQMMSA-N 1 3 315.461 2.893 20 0 DFADHO CCOc1c(CNCC[C@@H]2CCC[NH2+]C2)c(C)nn1CC(C)C ZINC000414853301 428432462 /nfs/dbraw/zinc/43/24/62/428432462.db2.gz RSMCVVOGFSQNLS-INIZCTEOSA-N 1 3 322.497 2.726 20 0 DFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000378582831 428432826 /nfs/dbraw/zinc/43/28/26/428432826.db2.gz PKINAIGANWIOEA-HUUCEWRRSA-N 1 3 308.495 2.574 20 0 DFADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000414996585 428481942 /nfs/dbraw/zinc/48/19/42/428481942.db2.gz GNCBIERAGSXTCY-LESCRADOSA-N 1 3 306.425 2.535 20 0 DFADHO CCC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)C1CCNCC1 ZINC000347184749 428484535 /nfs/dbraw/zinc/48/45/35/428484535.db2.gz YIIBFKAOJDQBOJ-UHFFFAOYSA-N 1 3 322.449 2.676 20 0 DFADHO CCC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)C1CCNCC1 ZINC000347184749 428484540 /nfs/dbraw/zinc/48/45/40/428484540.db2.gz YIIBFKAOJDQBOJ-UHFFFAOYSA-N 1 3 322.449 2.676 20 0 DFADHO [NH3+][C@H]1CCC[C@H](CNCc2csc(-c3ccccn3)n2)C1 ZINC000414999355 428485766 /nfs/dbraw/zinc/48/57/66/428485766.db2.gz RSPJJSBCQZMZNZ-STQMWFEESA-N 1 3 302.447 2.812 20 0 DFADHO C[C@@H]([NH3+])[C@H](C)N[C@H](C)Cc1ccc(Br)c(F)c1 ZINC000415004823 428486016 /nfs/dbraw/zinc/48/60/16/428486016.db2.gz AGLORDCIDWWMDE-BBBLOLIVSA-N 1 3 303.219 2.845 20 0 DFADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]C[C@H]2CCSC2)cc1 ZINC000415008281 428487478 /nfs/dbraw/zinc/48/74/78/428487478.db2.gz SFECYCMHNCETNL-UNEWFSDZSA-N 1 3 308.466 2.862 20 0 DFADHO C[C@@H]([NH3+])[C@H](C)NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000415016994 428490415 /nfs/dbraw/zinc/49/04/15/428490415.db2.gz OVQZANBUFWNHQU-NEPJUHHUSA-N 1 3 313.848 2.769 20 0 DFADHO Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CNCCCO2)cc1 ZINC000415037302 428495432 /nfs/dbraw/zinc/49/54/32/428495432.db2.gz KWMZGITXGWYXME-IKGGRYGDSA-N 1 3 308.853 2.944 20 0 DFADHO Clc1ccc([C@@H]2CCC[C@@H]2NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000415037302 428495435 /nfs/dbraw/zinc/49/54/35/428495435.db2.gz KWMZGITXGWYXME-IKGGRYGDSA-N 1 3 308.853 2.944 20 0 DFADHO CC(C)N(C)CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000360933048 428497154 /nfs/dbraw/zinc/49/71/54/428497154.db2.gz IDNJGWJLJCIGHD-MJGOQNOKSA-N 1 3 303.494 2.827 20 0 DFADHO Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CNCCCO1 ZINC000415046235 428497634 /nfs/dbraw/zinc/49/76/34/428497634.db2.gz URUQTFAHDAYJMG-QRTARXTBSA-N 1 3 308.853 2.944 20 0 DFADHO Clc1ccccc1[C@@H]1CCC[C@@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000415046235 428497638 /nfs/dbraw/zinc/49/76/38/428497638.db2.gz URUQTFAHDAYJMG-QRTARXTBSA-N 1 3 308.853 2.944 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415052491 428501589 /nfs/dbraw/zinc/50/15/89/428501589.db2.gz HTDZDHRZKLMLRG-RVKKMQEKSA-N 1 3 303.450 2.629 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415052491 428501593 /nfs/dbraw/zinc/50/15/93/428501593.db2.gz HTDZDHRZKLMLRG-RVKKMQEKSA-N 1 3 303.450 2.629 20 0 DFADHO Cn1nnc2cc(CN[C@@H](CCC[NH3+])c3ccccc3)ccc21 ZINC000415054942 428502557 /nfs/dbraw/zinc/50/25/57/428502557.db2.gz ODLQDGLWVSIKSL-INIZCTEOSA-N 1 3 309.417 2.538 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c1C ZINC000415059048 428505208 /nfs/dbraw/zinc/50/52/08/428505208.db2.gz WUFDVKRMWXLHKH-ZRGWGRIASA-N 1 3 317.477 2.937 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)c1C ZINC000415059048 428505215 /nfs/dbraw/zinc/50/52/15/428505215.db2.gz WUFDVKRMWXLHKH-ZRGWGRIASA-N 1 3 317.477 2.937 20 0 DFADHO C[C@H](NCC1(c2ccccc2Cl)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000415074947 428509714 /nfs/dbraw/zinc/50/97/14/428509714.db2.gz DCRMSGHTCIEMAA-GJZGRUSLSA-N 1 3 322.880 2.976 20 0 DFADHO CC(C)C[C@@H](N)C[NH2+]CCOc1cccc(Br)c1 ZINC000415075824 428509978 /nfs/dbraw/zinc/50/99/78/428509978.db2.gz FPLMYXQUAUFKHO-CYBMUJFWSA-N 1 3 315.255 2.791 20 0 DFADHO CC1CCN([C@@H](CN[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000415074901 428510746 /nfs/dbraw/zinc/51/07/46/428510746.db2.gz AYWBFNBJAYSYEH-HOTGVXAUSA-N 1 3 307.507 2.863 20 0 DFADHO CCn1cncc1CNCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397599384 428511029 /nfs/dbraw/zinc/51/10/29/428511029.db2.gz SCJAJDBCJHPZDO-UHFFFAOYSA-N 1 3 312.461 2.905 20 0 DFADHO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CCNCC1 ZINC000415076642 428512424 /nfs/dbraw/zinc/51/24/24/428512424.db2.gz DEPRYMKJTMNSCJ-JTQLQIEISA-N 1 3 315.230 2.861 20 0 DFADHO C[C@@H](Cc1ccc(F)c(Br)c1)NC1CC[NH2+]CC1 ZINC000415076642 428512428 /nfs/dbraw/zinc/51/24/28/428512428.db2.gz DEPRYMKJTMNSCJ-JTQLQIEISA-N 1 3 315.230 2.861 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccccc2)C(C)C)CC1 ZINC000357393951 428513077 /nfs/dbraw/zinc/51/30/77/428513077.db2.gz ZKBYCOSZYOOLGT-IBGZPJMESA-N 1 3 317.477 2.574 20 0 DFADHO COc1ccc(CCCN[C@@H](C)C[C@H]2CCC[NH2+]2)cc1OC ZINC000415077024 428513098 /nfs/dbraw/zinc/51/30/98/428513098.db2.gz DORXXSNKSRLMEJ-GOEBONIOSA-N 1 3 306.450 2.757 20 0 DFADHO c1sc(CCCN[C@H]2CCC[NH2+]CC2)nc1-c1ccncc1 ZINC000415087844 428515149 /nfs/dbraw/zinc/51/51/49/428515149.db2.gz VHBQPCFKZRNAFV-HNNXBMFYSA-N 1 3 316.474 2.869 20 0 DFADHO c1sc(CCC[NH2+][C@H]2CCCNCC2)nc1-c1ccncc1 ZINC000415087844 428515158 /nfs/dbraw/zinc/51/51/58/428515158.db2.gz VHBQPCFKZRNAFV-HNNXBMFYSA-N 1 3 316.474 2.869 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000398052116 428519504 /nfs/dbraw/zinc/51/95/04/428519504.db2.gz GHSNASDCFISWEH-RLLQIKCJSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H](NC1CCN(Cc2ccc(F)c(F)c2)CC1)[C@H]1CC[NH2+]C1 ZINC000415096324 428519640 /nfs/dbraw/zinc/51/96/40/428519640.db2.gz BCUKMLXXQQMNFW-ZFWWWQNUSA-N 1 3 323.431 2.517 20 0 DFADHO CCN1CCN(c2cccc(NCC[NH2+]C(C)(C)C)c2)CC1 ZINC000415106000 428521698 /nfs/dbraw/zinc/52/16/98/428521698.db2.gz NOEXPROGMBAUCQ-UHFFFAOYSA-N 1 3 304.482 2.629 20 0 DFADHO CN1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@H]2CCC[C@H]21 ZINC000353409262 428524599 /nfs/dbraw/zinc/52/45/99/428524599.db2.gz WEVRBGMBFVVXJC-XOKHGSTOSA-N 1 3 310.388 2.806 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOc2ccc(F)c(F)c2)[C@H]2CCC[C@H]21 ZINC000353409262 428524604 /nfs/dbraw/zinc/52/46/04/428524604.db2.gz WEVRBGMBFVVXJC-XOKHGSTOSA-N 1 3 310.388 2.806 20 0 DFADHO C[N@H+]1CC[C@H](NCCOc2ccc(F)c(F)c2)[C@H]2CCC[C@H]21 ZINC000353409262 428524613 /nfs/dbraw/zinc/52/46/13/428524613.db2.gz WEVRBGMBFVVXJC-XOKHGSTOSA-N 1 3 310.388 2.806 20 0 DFADHO CC(C)C[C@H]([NH3+])CNC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000415113628 428525325 /nfs/dbraw/zinc/52/53/25/428525325.db2.gz WUWGCDLBYJXTQK-KKUMJFAQSA-N 1 3 313.486 2.624 20 0 DFADHO CC[C@@H](C)C[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC000357417744 428525489 /nfs/dbraw/zinc/52/54/89/428525489.db2.gz QOQWPUNKPUOUMN-QGZVFWFLSA-N 1 3 303.494 2.960 20 0 DFADHO Cc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1F ZINC000415121213 428526206 /nfs/dbraw/zinc/52/62/06/428526206.db2.gz HRUDVRZOGSVMMT-AEFFLSMTSA-N 1 3 306.425 2.852 20 0 DFADHO C[C@@H]1CCN(Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C[NH3+] ZINC000415123727 428528487 /nfs/dbraw/zinc/52/84/87/428528487.db2.gz JOKRTKNPTAONIW-OLZOCXBDSA-N 1 3 304.463 2.565 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1NCCc2ccccc21 ZINC000414955486 428472096 /nfs/dbraw/zinc/47/20/96/428472096.db2.gz NDYYNXOJZGHSHH-HHXXYDBFSA-N 1 3 301.478 2.774 20 0 DFADHO COC[C@]1(C[NH2+]CCCc2c(F)cccc2Cl)CCCN1 ZINC000414958218 428472234 /nfs/dbraw/zinc/47/22/34/428472234.db2.gz RDHLVNJKTAJIKJ-MRXNPFEDSA-N 1 3 314.832 2.770 20 0 DFADHO C[C@H](NC[C@H]1CCCN1Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000390551561 428473883 /nfs/dbraw/zinc/47/38/83/428473883.db2.gz CQNYNUHPGGPHCA-QXAKKESOSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCOCCN(C)C ZINC000360882747 428476623 /nfs/dbraw/zinc/47/66/23/428476623.db2.gz GNYJYDFZPDHVPJ-CYBMUJFWSA-N 1 3 318.383 2.804 20 0 DFADHO CCCc1cccc(C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000373457838 428581590 /nfs/dbraw/zinc/58/15/90/428581590.db2.gz BJMJXFDPZNKWJH-IBGZPJMESA-N 1 3 315.505 2.897 20 0 DFADHO [NH3+]C1(CNCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000415134212 428534201 /nfs/dbraw/zinc/53/42/01/428534201.db2.gz OEAWYGIHRIZCPQ-UHFFFAOYSA-N 1 3 309.457 2.770 20 0 DFADHO CCN1CCC([N@H+](C)CCN(C)Cc2ccc(F)cc2)CC1 ZINC000347300566 428534601 /nfs/dbraw/zinc/53/46/01/428534601.db2.gz NDUUDBPIDVXFIS-UHFFFAOYSA-N 1 3 307.457 2.674 20 0 DFADHO CCN1CCC([N@@H+](C)CCN(C)Cc2ccc(F)cc2)CC1 ZINC000347300566 428534606 /nfs/dbraw/zinc/53/46/06/428534606.db2.gz NDUUDBPIDVXFIS-UHFFFAOYSA-N 1 3 307.457 2.674 20 0 DFADHO CC[NH+]1CCC(N(C)CCN(C)Cc2ccc(F)cc2)CC1 ZINC000347300566 428534611 /nfs/dbraw/zinc/53/46/11/428534611.db2.gz NDUUDBPIDVXFIS-UHFFFAOYSA-N 1 3 307.457 2.674 20 0 DFADHO CNC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000358266399 428593667 /nfs/dbraw/zinc/59/36/67/428593667.db2.gz MIPOBSPYOIIHKX-XOYOTBSWSA-N 1 3 321.509 2.534 20 0 DFADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000358266399 428593673 /nfs/dbraw/zinc/59/36/73/428593673.db2.gz MIPOBSPYOIIHKX-XOYOTBSWSA-N 1 3 321.509 2.534 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccsc1 ZINC000353449745 428539485 /nfs/dbraw/zinc/53/94/85/428539485.db2.gz SFWZOGTYMAJWSR-VVLHAWIVSA-N 1 3 307.507 2.813 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccsc1 ZINC000353449745 428539487 /nfs/dbraw/zinc/53/94/87/428539487.db2.gz SFWZOGTYMAJWSR-VVLHAWIVSA-N 1 3 307.507 2.813 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)c1ccsc1 ZINC000353449745 428539489 /nfs/dbraw/zinc/53/94/89/428539489.db2.gz SFWZOGTYMAJWSR-VVLHAWIVSA-N 1 3 307.507 2.813 20 0 DFADHO C[C@@H](NCC1(N(C)Cc2ccccc2)CCC1)[C@@H]1CC[NH2+]C1 ZINC000400365882 428542738 /nfs/dbraw/zinc/54/27/38/428542738.db2.gz DZQUPNTVGNDDDB-SJLPKXTDSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@H](NCC1(N(C)Cc2ccccc2)CCC1)[C@H]1CC[NH2+]C1 ZINC000400365883 428544138 /nfs/dbraw/zinc/54/41/38/428544138.db2.gz DZQUPNTVGNDDDB-WMZOPIPTSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400449035 428545652 /nfs/dbraw/zinc/54/56/52/428545652.db2.gz OFKKIHMHFFMLPG-GDBMZVCRSA-N 1 3 323.481 2.626 20 0 DFADHO COc1ccc(OCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1 ZINC000353456720 428546530 /nfs/dbraw/zinc/54/65/30/428546530.db2.gz WPOUYKPNPRDXNB-RCCFBDPRSA-N 1 3 304.434 2.536 20 0 DFADHO COc1ccc(OCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000353456720 428546534 /nfs/dbraw/zinc/54/65/34/428546534.db2.gz WPOUYKPNPRDXNB-RCCFBDPRSA-N 1 3 304.434 2.536 20 0 DFADHO COc1ccc(OCCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000353456720 428546539 /nfs/dbraw/zinc/54/65/39/428546539.db2.gz WPOUYKPNPRDXNB-RCCFBDPRSA-N 1 3 304.434 2.536 20 0 DFADHO C[C@@H](CNC[C@H](O)C[NH+]1CCC(C)CC1)Cc1ccccc1 ZINC000347334632 428548995 /nfs/dbraw/zinc/54/89/95/428548995.db2.gz RNICMNQDROLGJS-MJGOQNOKSA-N 1 3 304.478 2.548 20 0 DFADHO Cc1nccn1CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000347348390 428558615 /nfs/dbraw/zinc/55/86/15/428558615.db2.gz XMMCTSWUPBQWHI-IHWFROFDSA-N 1 3 324.472 2.977 20 0 DFADHO Cc1nccn1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347348390 428558620 /nfs/dbraw/zinc/55/86/20/428558620.db2.gz XMMCTSWUPBQWHI-IHWFROFDSA-N 1 3 324.472 2.977 20 0 DFADHO Cc1nccn1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347348390 428558624 /nfs/dbraw/zinc/55/86/24/428558624.db2.gz XMMCTSWUPBQWHI-IHWFROFDSA-N 1 3 324.472 2.977 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccsc1C ZINC000353501456 428566607 /nfs/dbraw/zinc/56/66/07/428566607.db2.gz IPBVBBYQIUPSBV-KRWDZBQOSA-N 1 3 309.523 2.904 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccsc1C ZINC000353501456 428566612 /nfs/dbraw/zinc/56/66/12/428566612.db2.gz IPBVBBYQIUPSBV-KRWDZBQOSA-N 1 3 309.523 2.904 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2CCF)C[C@H](C)O1 ZINC000353499996 428567748 /nfs/dbraw/zinc/56/77/48/428567748.db2.gz FDNAMLJGXDQHCV-VVLHAWIVSA-N 1 3 300.462 2.994 20 0 DFADHO CC[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C)c1 ZINC000353522962 428575911 /nfs/dbraw/zinc/57/59/11/428575911.db2.gz SZAZQMUDYZOOFA-ZWKOTPCHSA-N 1 3 317.477 2.623 20 0 DFADHO CC[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C)c1 ZINC000353522962 428575914 /nfs/dbraw/zinc/57/59/14/428575914.db2.gz SZAZQMUDYZOOFA-ZWKOTPCHSA-N 1 3 317.477 2.623 20 0 DFADHO C[C@H](CC1CCOCC1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000358044813 428576733 /nfs/dbraw/zinc/57/67/33/428576733.db2.gz IFNCRWCMNSROTA-ZACQAIPSSA-N 1 3 312.498 2.671 20 0 DFADHO C[NH+](C)CCOC1CCN(Cc2coc3ccccc23)CC1 ZINC000353527772 428578184 /nfs/dbraw/zinc/57/81/84/428578184.db2.gz MHHYSLVQDCLGJL-UHFFFAOYSA-N 1 3 302.418 2.975 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)CNC2)CC(C)C ZINC000347525604 428596865 /nfs/dbraw/zinc/59/68/65/428596865.db2.gz QLWUOEDEPGDPEG-GOSISDBHSA-N 1 3 317.477 2.776 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)c1ccc2c(c1)CNC2 ZINC000347528909 428597374 /nfs/dbraw/zinc/59/73/74/428597374.db2.gz UAXHQZXXKSBTEY-UHFFFAOYSA-N 1 3 303.450 2.532 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000361890058 428603826 /nfs/dbraw/zinc/60/38/26/428603826.db2.gz CVJDLETTXUWFLI-OAHLLOKOSA-N 1 3 324.852 2.600 20 0 DFADHO Cc1ccc(C[C@H](CO)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000373637427 428624788 /nfs/dbraw/zinc/62/47/88/428624788.db2.gz YZSUKQFWIWUYGE-LJQANCHMSA-N 1 3 316.489 2.895 20 0 DFADHO C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000353623177 428628967 /nfs/dbraw/zinc/62/89/67/428628967.db2.gz ODPVZIIVHPPAAA-SZMVWBNQSA-N 1 3 324.472 2.767 20 0 DFADHO C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000353623177 428628973 /nfs/dbraw/zinc/62/89/73/428628973.db2.gz ODPVZIIVHPPAAA-SZMVWBNQSA-N 1 3 324.472 2.767 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)C[C@H]1C ZINC000416000281 428646316 /nfs/dbraw/zinc/64/63/16/428646316.db2.gz WQZPERYIIFWAAT-CXAGYDPISA-N 1 3 316.449 2.626 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)C[C@H]1C ZINC000416000281 428646322 /nfs/dbraw/zinc/64/63/22/428646322.db2.gz WQZPERYIIFWAAT-CXAGYDPISA-N 1 3 316.449 2.626 20 0 DFADHO C[NH2+]Cc1ccc(NC(=O)NCCN2CCCC(C)(C)C2)cc1 ZINC000416015833 428649631 /nfs/dbraw/zinc/64/96/31/428649631.db2.gz ULINXMLVVFYSIR-UHFFFAOYSA-N 1 3 318.465 2.650 20 0 DFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000362227452 428666535 /nfs/dbraw/zinc/66/65/35/428666535.db2.gz ZODNYMCXCKOIKN-ZWKOTPCHSA-N 1 3 323.525 2.687 20 0 DFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000362227452 428666536 /nfs/dbraw/zinc/66/65/36/428666536.db2.gz ZODNYMCXCKOIKN-ZWKOTPCHSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H](C(=O)N1CCCCCC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074865 428662442 /nfs/dbraw/zinc/66/24/42/428662442.db2.gz NYXIXQSPWHKVJX-KRWDZBQOSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@H]1CN(c2ccnc3ccccc32)CC[N@@H+]1C1CCN(C)CC1 ZINC000374253978 428671118 /nfs/dbraw/zinc/67/11/18/428671118.db2.gz CIZXDSIQALYMLG-INIZCTEOSA-N 1 3 324.472 2.840 20 0 DFADHO C[C@H]1CN(c2ccnc3ccccc32)CC[N@H+]1C1CCN(C)CC1 ZINC000374253978 428671123 /nfs/dbraw/zinc/67/11/23/428671123.db2.gz CIZXDSIQALYMLG-INIZCTEOSA-N 1 3 324.472 2.840 20 0 DFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416233976 428696240 /nfs/dbraw/zinc/69/62/40/428696240.db2.gz LJFYASYQIVXQMW-AEFFLSMTSA-N 1 3 319.493 2.916 20 0 DFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416233976 428696246 /nfs/dbraw/zinc/69/62/46/428696246.db2.gz LJFYASYQIVXQMW-AEFFLSMTSA-N 1 3 319.493 2.916 20 0 DFADHO C[C@H]1CN(C2CCN(c3ccnc4ccccc43)CC2)CCO1 ZINC000362303392 428696874 /nfs/dbraw/zinc/69/68/74/428696874.db2.gz ABJVCOGAACKHRL-HNNXBMFYSA-N 1 3 311.429 2.924 20 0 DFADHO C[C@H]1C[N@@H+](C2CCN(c3ccnc4ccccc43)CC2)CCO1 ZINC000362303392 428696879 /nfs/dbraw/zinc/69/68/79/428696879.db2.gz ABJVCOGAACKHRL-HNNXBMFYSA-N 1 3 311.429 2.924 20 0 DFADHO C[C@H]1C[N@H+](C2CCN(c3ccnc4ccccc43)CC2)CCO1 ZINC000362303392 428696884 /nfs/dbraw/zinc/69/68/84/428696884.db2.gz ABJVCOGAACKHRL-HNNXBMFYSA-N 1 3 311.429 2.924 20 0 DFADHO C[C@H]1CN(C2CCN(c3cc[nH+]c4ccccc43)CC2)CCO1 ZINC000362303392 428696887 /nfs/dbraw/zinc/69/68/87/428696887.db2.gz ABJVCOGAACKHRL-HNNXBMFYSA-N 1 3 311.429 2.924 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCC2(N(C)C)CC2)cc1 ZINC000416302650 428710923 /nfs/dbraw/zinc/71/09/23/428710923.db2.gz PHXBNWVMBJBVCF-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2(N(C)C)CC2)cc1 ZINC000416302650 428710930 /nfs/dbraw/zinc/71/09/30/428710930.db2.gz PHXBNWVMBJBVCF-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CC1CC[NH+](CCCCN[C@H]2CCCc3nn(C)cc32)CC1 ZINC000358915014 428729665 /nfs/dbraw/zinc/72/96/65/428729665.db2.gz NJKAFFSHHHJABV-KRWDZBQOSA-N 1 3 304.482 2.899 20 0 DFADHO CC[N@H+](CCNC(=O)C[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000416155447 428679178 /nfs/dbraw/zinc/67/91/78/428679178.db2.gz DGSLQYBBNIMFMI-KRWDZBQOSA-N 1 3 305.466 2.526 20 0 DFADHO CC[N@@H+](CCNC(=O)C[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000416155447 428679183 /nfs/dbraw/zinc/67/91/83/428679183.db2.gz DGSLQYBBNIMFMI-KRWDZBQOSA-N 1 3 305.466 2.526 20 0 DFADHO CCN1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000362485916 428766506 /nfs/dbraw/zinc/76/65/06/428766506.db2.gz HPFXFPNDBPSLGS-MRXNPFEDSA-N 1 3 321.509 2.584 20 0 DFADHO CCN1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000362485916 428766509 /nfs/dbraw/zinc/76/65/09/428766509.db2.gz HPFXFPNDBPSLGS-MRXNPFEDSA-N 1 3 321.509 2.584 20 0 DFADHO COC[C@](C)(CCO)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411320787 428775874 /nfs/dbraw/zinc/77/58/74/428775874.db2.gz CDUJXOQXRUARHK-IBGZPJMESA-N 1 3 320.477 2.550 20 0 DFADHO Cc1cccc(NC[C@H]2CCCN2CC[C@H]2CCC[N@H+]2C)n1 ZINC000362400188 428734713 /nfs/dbraw/zinc/73/47/13/428734713.db2.gz FQJDYSASXJRPEC-IAGOWNOFSA-N 1 3 302.466 2.751 20 0 DFADHO Cc1cccc(NC[C@H]2CCCN2CC[C@H]2CCC[N@@H+]2C)n1 ZINC000362400188 428734717 /nfs/dbraw/zinc/73/47/17/428734717.db2.gz FQJDYSASXJRPEC-IAGOWNOFSA-N 1 3 302.466 2.751 20 0 DFADHO CN(C)CCNC(=O)C1CC[NH+](CCCC2CCCCC2)CC1 ZINC000345189602 428792196 /nfs/dbraw/zinc/79/21/96/428792196.db2.gz OVRYWYSLVIFQID-UHFFFAOYSA-N 1 3 323.525 2.737 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)ccn1 ZINC000348423504 428740509 /nfs/dbraw/zinc/74/05/09/428740509.db2.gz VGGNSEQBQOHDNH-HZPDHXFCSA-N 1 3 305.466 2.936 20 0 DFADHO C[C@H](N[C@H](CO)CC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348443522 428745587 /nfs/dbraw/zinc/74/55/87/428745587.db2.gz XNUXENYAVZGKSU-BPUTZDHNSA-N 1 3 312.404 2.503 20 0 DFADHO C[C@H](N[C@H](CO)CC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348443522 428745593 /nfs/dbraw/zinc/74/55/93/428745593.db2.gz XNUXENYAVZGKSU-BPUTZDHNSA-N 1 3 312.404 2.503 20 0 DFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000362624087 428794811 /nfs/dbraw/zinc/79/48/11/428794811.db2.gz QXUIGHBQFVFYSC-FUHWJXTLSA-N 1 3 323.525 2.876 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000411445481 428799767 /nfs/dbraw/zinc/79/97/67/428799767.db2.gz NALNVIZNWFAWQQ-MRXNPFEDSA-N 1 3 317.477 2.555 20 0 DFADHO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411500036 428808436 /nfs/dbraw/zinc/80/84/36/428808436.db2.gz SAWHBKUKCGMVGV-VQIMIIECSA-N 1 3 302.462 2.875 20 0 DFADHO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411500036 428808442 /nfs/dbraw/zinc/80/84/42/428808442.db2.gz SAWHBKUKCGMVGV-VQIMIIECSA-N 1 3 302.462 2.875 20 0 DFADHO CC[NH+](CC)CCOC1CCN(Cc2scnc2C)CC1 ZINC000354035093 428832077 /nfs/dbraw/zinc/83/20/77/428832077.db2.gz VTUMSCUPEHILGL-UHFFFAOYSA-N 1 3 311.495 2.774 20 0 DFADHO CCc1nc(CN(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cs1 ZINC000349059126 428908869 /nfs/dbraw/zinc/90/88/69/428908869.db2.gz BJQATLQZBOHZGG-INIZCTEOSA-N 1 3 324.538 2.553 20 0 DFADHO CCc1nc(CN(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cs1 ZINC000349059126 428908871 /nfs/dbraw/zinc/90/88/71/428908871.db2.gz BJQATLQZBOHZGG-INIZCTEOSA-N 1 3 324.538 2.553 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](c1ccc(F)cn1)C(C)C ZINC000354085613 428856355 /nfs/dbraw/zinc/85/63/55/428856355.db2.gz JTJXCXXPOWXDES-DOTOQJQBSA-N 1 3 311.445 2.864 20 0 DFADHO CCNC(=O)C(C)(C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411814072 428863284 /nfs/dbraw/zinc/86/32/84/428863284.db2.gz GSUMJHAUJCCNTP-UHFFFAOYSA-N 1 3 317.477 2.677 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cccc(COC)c2)C1 ZINC000354108286 428864994 /nfs/dbraw/zinc/86/49/94/428864994.db2.gz UMVMEYFDAQOATC-LJQANCHMSA-N 1 3 320.477 2.766 20 0 DFADHO CCCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000375460889 428889446 /nfs/dbraw/zinc/88/94/46/428889446.db2.gz QIAFWFHAKVAEEO-CGTJXYLNSA-N 1 3 317.477 2.574 20 0 DFADHO Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)c(C(C)(C)C)n1 ZINC000354177213 428900495 /nfs/dbraw/zinc/90/04/95/428900495.db2.gz ONSCNEXESZWEKC-SFHVURJKSA-N 1 3 304.482 2.635 20 0 DFADHO Cn1cc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)c(C(C)(C)C)n1 ZINC000354177213 428900498 /nfs/dbraw/zinc/90/04/98/428900498.db2.gz ONSCNEXESZWEKC-SFHVURJKSA-N 1 3 304.482 2.635 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000349091629 428918852 /nfs/dbraw/zinc/91/88/52/428918852.db2.gz YSIVRRPROGTXKJ-SJORKVTESA-N 1 3 311.514 2.734 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000354222006 428923091 /nfs/dbraw/zinc/92/30/91/428923091.db2.gz IGHKKKFCAOQOOX-PBHICJAKSA-N 1 3 321.440 2.959 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000354222006 428923095 /nfs/dbraw/zinc/92/30/95/428923095.db2.gz IGHKKKFCAOQOOX-PBHICJAKSA-N 1 3 321.440 2.959 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000349117044 428924904 /nfs/dbraw/zinc/92/49/04/428924904.db2.gz JDLCVQAQLZPDEG-IAGOWNOFSA-N 1 3 309.498 2.632 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000349117044 428924907 /nfs/dbraw/zinc/92/49/07/428924907.db2.gz JDLCVQAQLZPDEG-IAGOWNOFSA-N 1 3 309.498 2.632 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000349115839 428924977 /nfs/dbraw/zinc/92/49/77/428924977.db2.gz DZISJCGOOBIXAO-KSZLIROESA-N 1 3 323.525 2.735 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000349115839 428924985 /nfs/dbraw/zinc/92/49/85/428924985.db2.gz DZISJCGOOBIXAO-KSZLIROESA-N 1 3 323.525 2.735 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000349141973 428926763 /nfs/dbraw/zinc/92/67/63/428926763.db2.gz GOCJXSKXYWGOQH-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO CC(C)c1nccn1C[C@@H]1CCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000363480354 428926880 /nfs/dbraw/zinc/92/68/80/428926880.db2.gz XIZSPMWSTLYNSC-IRXDYDNUSA-N 1 3 304.482 2.955 20 0 DFADHO CC(C)c1nccn1C[C@@H]1CCCN1CC[C@@H]1CCC[N@H+]1C ZINC000363480354 428926885 /nfs/dbraw/zinc/92/68/85/428926885.db2.gz XIZSPMWSTLYNSC-IRXDYDNUSA-N 1 3 304.482 2.955 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000349147415 428930623 /nfs/dbraw/zinc/93/06/23/428930623.db2.gz XTLIIYIZCLGORM-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000349147415 428930627 /nfs/dbraw/zinc/93/06/27/428930627.db2.gz XTLIIYIZCLGORM-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO C[C@H](CC[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1 ZINC000375716546 428950513 /nfs/dbraw/zinc/95/05/13/428950513.db2.gz CKFLSFVZGFBTRO-IEBWSBKVSA-N 1 3 315.505 2.938 20 0 DFADHO CC(C)[C@H](C(=O)NCC[NH+](C(C)C)C(C)C)N1CCCCC1 ZINC000354279290 428953547 /nfs/dbraw/zinc/95/35/47/428953547.db2.gz BTJMGFFIOKPQSR-QGZVFWFLSA-N 1 3 311.514 2.732 20 0 DFADHO Nc1cc(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000420314874 428957411 /nfs/dbraw/zinc/95/74/11/428957411.db2.gz RBMWCIZJXSZDAL-OALUTQOASA-N 1 3 324.472 2.836 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375782950 428972336 /nfs/dbraw/zinc/97/23/36/428972336.db2.gz PEJUYUXLBGTHPB-FDPIWHGQSA-N 1 3 318.461 2.925 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375782950 428972343 /nfs/dbraw/zinc/97/23/43/428972343.db2.gz PEJUYUXLBGTHPB-FDPIWHGQSA-N 1 3 318.461 2.925 20 0 DFADHO COC[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000423547135 428969054 /nfs/dbraw/zinc/96/90/54/428969054.db2.gz PQYKIAOWDIRPDG-OEUWWYETSA-N 1 3 310.388 2.630 20 0 DFADHO Cc1cc(N2CCN([C@@H]3CCC[C@H]3O)CC2)c2ccccc2[nH+]1 ZINC000375907158 429015184 /nfs/dbraw/zinc/01/51/84/429015184.db2.gz RNEINNVNGJEQOZ-IEBWSBKVSA-N 1 3 311.429 2.579 20 0 DFADHO CN(C)CCN(Cc1cccs1)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000423776657 429016171 /nfs/dbraw/zinc/01/61/71/429016171.db2.gz QOLGIODDAKCUSL-GOEBONIOSA-N 1 3 323.506 2.546 20 0 DFADHO CCO[C@@H]1COCC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000354984685 429021943 /nfs/dbraw/zinc/02/19/43/429021943.db2.gz QCOOACCCTZHYQD-XGXHKWSGSA-N 1 3 324.509 2.813 20 0 DFADHO CCC[NH+]1CCC(CNCc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433312805 429023083 /nfs/dbraw/zinc/02/30/83/429023083.db2.gz SEZUTGLDTZJRIP-UHFFFAOYSA-N 1 3 302.422 2.881 20 0 DFADHO CC(C)OCCOC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000451951002 429024068 /nfs/dbraw/zinc/02/40/68/429024068.db2.gz JTNOHXDEMHTXMR-UHFFFAOYSA-N 1 3 312.498 2.768 20 0 DFADHO CCN(CC)CCC[N@H+](CC)C[C@@H]1CCO[C@@H]1c1ccnn1C ZINC000349386335 428977949 /nfs/dbraw/zinc/97/79/49/428977949.db2.gz RSQOVUSATLVZND-WMZOPIPTSA-N 1 3 322.497 2.552 20 0 DFADHO CCN(CC)CCC[N@@H+](CC)C[C@@H]1CCO[C@@H]1c1ccnn1C ZINC000349386335 428977954 /nfs/dbraw/zinc/97/79/54/428977954.db2.gz RSQOVUSATLVZND-WMZOPIPTSA-N 1 3 322.497 2.552 20 0 DFADHO CCN(CCC[NH+](CC)CC)C[C@@H]1CCO[C@@H]1c1ccnn1C ZINC000349386335 428977961 /nfs/dbraw/zinc/97/79/61/428977961.db2.gz RSQOVUSATLVZND-WMZOPIPTSA-N 1 3 322.497 2.552 20 0 DFADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(-n2cncn2)cc1 ZINC000349403028 428982570 /nfs/dbraw/zinc/98/25/70/428982570.db2.gz BAOIUGZTXBGZBX-UHFFFAOYSA-N 1 3 313.449 2.575 20 0 DFADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(-n2cncn2)cc1 ZINC000349403028 428982577 /nfs/dbraw/zinc/98/25/77/428982577.db2.gz BAOIUGZTXBGZBX-UHFFFAOYSA-N 1 3 313.449 2.575 20 0 DFADHO C[C@]1(CNCC2=CCCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000375985000 429034197 /nfs/dbraw/zinc/03/41/97/429034197.db2.gz CUAARYULPGGSRR-LJQANCHMSA-N 1 3 300.446 2.835 20 0 DFADHO C[C@]1(CNCC2=CCCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000375985000 429034202 /nfs/dbraw/zinc/03/42/02/429034202.db2.gz CUAARYULPGGSRR-LJQANCHMSA-N 1 3 300.446 2.835 20 0 DFADHO Cc1ccnc(NC[C@@H]2CC[N@@H+](CC[C@@H]3CCCCN3C)C2)c1 ZINC000375868826 429000985 /nfs/dbraw/zinc/00/09/85/429000985.db2.gz HAIWKCDTHTUCSA-ROUUACIJSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1ccnc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCCCN3C)C2)c1 ZINC000375868826 429000991 /nfs/dbraw/zinc/00/09/91/429000991.db2.gz HAIWKCDTHTUCSA-ROUUACIJSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1ccnc(NC[C@@H]2CCN(CC[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC000375868826 429000998 /nfs/dbraw/zinc/00/09/98/429000998.db2.gz HAIWKCDTHTUCSA-ROUUACIJSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1ccnc(NC[C@@H]2CCN(CC[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000375868826 429001001 /nfs/dbraw/zinc/00/10/01/429001001.db2.gz HAIWKCDTHTUCSA-ROUUACIJSA-N 1 3 316.493 2.998 20 0 DFADHO CC(C)[C@@H](C[NH3+])C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000433178251 429006971 /nfs/dbraw/zinc/00/69/71/429006971.db2.gz WHJPKUYORLSYNB-QGZVFWFLSA-N 1 3 303.450 2.842 20 0 DFADHO CN(C)Cc1ccccc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000433179875 429007459 /nfs/dbraw/zinc/00/74/59/429007459.db2.gz YWEMUEFLNNOQTK-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000423751653 429009492 /nfs/dbraw/zinc/00/94/92/429009492.db2.gz ZCAJMFWWHVOAID-ZWKOTPCHSA-N 1 3 317.477 2.614 20 0 DFADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000423475722 429094056 /nfs/dbraw/zinc/09/40/56/429094056.db2.gz RYUHVCDSQBZRQE-DZGCQCFKSA-N 1 3 306.454 2.948 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000423847313 429035754 /nfs/dbraw/zinc/03/57/54/429035754.db2.gz PZQOQFPVSBJWPU-AYBZRNKSSA-N 1 3 317.477 2.531 20 0 DFADHO C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000452005811 429036883 /nfs/dbraw/zinc/03/68/83/429036883.db2.gz KMCCIQXJGXYZOH-WBVHZDCISA-N 1 3 317.477 2.668 20 0 DFADHO C[C@@H]1CCC(C)(C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000452005811 429036886 /nfs/dbraw/zinc/03/68/86/429036886.db2.gz KMCCIQXJGXYZOH-WBVHZDCISA-N 1 3 317.477 2.668 20 0 DFADHO COC[C@@H]1CCCCN1C/C=C\C[N@@H+]1CCCC[C@H]1COC ZINC000452043298 429043015 /nfs/dbraw/zinc/04/30/15/429043015.db2.gz VFDNMLLJHVKAOM-OPDSQHBBSA-N 1 3 310.482 2.544 20 0 DFADHO COC[C@@H]1CCCCN1C/C=C\C[N@H+]1CCCC[C@H]1COC ZINC000452043298 429043017 /nfs/dbraw/zinc/04/30/17/429043017.db2.gz VFDNMLLJHVKAOM-OPDSQHBBSA-N 1 3 310.482 2.544 20 0 DFADHO C[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000452066647 429046771 /nfs/dbraw/zinc/04/67/71/429046771.db2.gz LLFLQHVGPRMYCB-HRCADAONSA-N 1 3 321.509 2.534 20 0 DFADHO c1ccc2nc(NCCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422923501 429052614 /nfs/dbraw/zinc/05/26/14/429052614.db2.gz WJMGHMKHKZPIGZ-BHIYHBOVSA-N 1 3 324.472 3.157 20 0 DFADHO COc1ccc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])cc1NC(C)=O ZINC000423277534 429056655 /nfs/dbraw/zinc/05/66/55/429056655.db2.gz OJVWDKZIBYGVQG-RCBQFDQVSA-N 1 3 319.449 2.822 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452341799 429096903 /nfs/dbraw/zinc/09/69/03/429096903.db2.gz FJGNSPNIJZFQJJ-IRXDYDNUSA-N 1 3 311.514 2.780 20 0 DFADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(-n2cnnn2)cc1 ZINC000423291778 429059019 /nfs/dbraw/zinc/05/90/19/429059019.db2.gz JUKRHAAADALSTE-UONOGXRCSA-N 1 3 322.416 2.533 20 0 DFADHO C[C@H](C[NH3+])CN[C@H]1CCc2c1ccc(F)c2Br ZINC000423308127 429061368 /nfs/dbraw/zinc/06/13/68/429061368.db2.gz NXUCKNOLPJNNIN-PELKAZGASA-N 1 3 301.203 2.760 20 0 DFADHO C[C@H](C[NH3+])CN[C@H]1CCc2c1cc(Br)cc2F ZINC000423297096 429061508 /nfs/dbraw/zinc/06/15/08/429061508.db2.gz IRUGJELZYGUYPE-OQPBUACISA-N 1 3 301.203 2.760 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1NCCCC1(C)C ZINC000423321050 429062203 /nfs/dbraw/zinc/06/22/03/429062203.db2.gz FXMSKWXDGPDQMQ-HZPDHXFCSA-N 1 3 309.498 2.535 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1NCCCC1(C)C ZINC000423321050 429062208 /nfs/dbraw/zinc/06/22/08/429062208.db2.gz FXMSKWXDGPDQMQ-HZPDHXFCSA-N 1 3 309.498 2.535 20 0 DFADHO [NH3+][C@@H](CN[C@@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000423319069 429062985 /nfs/dbraw/zinc/06/29/85/429062985.db2.gz LNVWTKZOXSQBAL-CABCVRRESA-N 1 3 309.251 2.633 20 0 DFADHO Cn1cc([C@@H](NCC2(C)CC[NH2+]CC2)c2cccc(F)c2)cn1 ZINC000423319780 429063723 /nfs/dbraw/zinc/06/37/23/429063723.db2.gz DXJYDAFMNXBKCI-KRWDZBQOSA-N 1 3 316.424 2.628 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452119524 429064161 /nfs/dbraw/zinc/06/41/61/429064161.db2.gz QGOXRLDBSXZEKR-CQSZACIVSA-N 1 3 321.431 2.819 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452119524 429064167 /nfs/dbraw/zinc/06/41/67/429064167.db2.gz QGOXRLDBSXZEKR-CQSZACIVSA-N 1 3 321.431 2.819 20 0 DFADHO CN(CC[C@H]1CCC[N@@H+]1C)C1CCN(CCC(F)(F)F)CC1 ZINC000452119524 429064170 /nfs/dbraw/zinc/06/41/70/429064170.db2.gz QGOXRLDBSXZEKR-CQSZACIVSA-N 1 3 321.431 2.819 20 0 DFADHO CN(CC[C@H]1CCC[N@H+]1C)C1CCN(CCC(F)(F)F)CC1 ZINC000452119524 429064174 /nfs/dbraw/zinc/06/41/74/429064174.db2.gz QGOXRLDBSXZEKR-CQSZACIVSA-N 1 3 321.431 2.819 20 0 DFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H](N)C3CCC3)cc2)C1 ZINC000423341356 429066822 /nfs/dbraw/zinc/06/68/22/429066822.db2.gz UFSFLZBROHOUDQ-KDOFPFPSSA-N 1 3 315.461 2.984 20 0 DFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H](N)C3CCC3)cc2)C1 ZINC000423341356 429066826 /nfs/dbraw/zinc/06/68/26/429066826.db2.gz UFSFLZBROHOUDQ-KDOFPFPSSA-N 1 3 315.461 2.984 20 0 DFADHO C[C@@H](CNC(=O)[C@H](N)CC1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000423343726 429070519 /nfs/dbraw/zinc/07/05/19/429070519.db2.gz XDKJXSABGZSVPN-HLLBOEOZSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@@H](CNC(=O)[C@H](N)CC1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000423343726 429070523 /nfs/dbraw/zinc/07/05/23/429070523.db2.gz XDKJXSABGZSVPN-HLLBOEOZSA-N 1 3 309.498 2.521 20 0 DFADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423357309 429071699 /nfs/dbraw/zinc/07/16/99/429071699.db2.gz SEKHDEAXWBDMJU-GDBMZVCRSA-N 1 3 305.466 2.559 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)NCCN(C)Cc2ccccc2)cc1 ZINC000423356586 429071941 /nfs/dbraw/zinc/07/19/41/429071941.db2.gz QUOLGFUSELQEFH-OAHLLOKOSA-N 1 3 311.429 2.568 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423363736 429072121 /nfs/dbraw/zinc/07/21/21/429072121.db2.gz VCWHTZHGGVUARV-SJORKVTESA-N 1 3 309.498 2.521 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423363736 429072125 /nfs/dbraw/zinc/07/21/25/429072125.db2.gz VCWHTZHGGVUARV-SJORKVTESA-N 1 3 309.498 2.521 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)NCC[C@H]2CCC[NH2+]2)cc1OC ZINC000423355642 429072145 /nfs/dbraw/zinc/07/21/45/429072145.db2.gz FQDQYGWYWNJNPZ-IJEWVQPXSA-N 1 3 306.450 2.928 20 0 DFADHO CCCC[N@H+](C)CCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423372170 429074454 /nfs/dbraw/zinc/07/44/54/429074454.db2.gz GVVUETDYWNLLNQ-MRXNPFEDSA-N 1 3 305.466 2.561 20 0 DFADHO CCCC[N@@H+](C)CCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423372170 429074456 /nfs/dbraw/zinc/07/44/56/429074456.db2.gz GVVUETDYWNLLNQ-MRXNPFEDSA-N 1 3 305.466 2.561 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000423379321 429077881 /nfs/dbraw/zinc/07/78/81/429077881.db2.gz XDDDUQAMXLOADM-SFHVURJKSA-N 1 3 321.509 2.761 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000423379321 429077884 /nfs/dbraw/zinc/07/78/84/429077884.db2.gz XDDDUQAMXLOADM-SFHVURJKSA-N 1 3 321.509 2.761 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CCN1 ZINC000423382248 429077926 /nfs/dbraw/zinc/07/79/26/429077926.db2.gz OTGUPKBTVWHJKK-ISARSNTHSA-N 1 3 301.478 2.627 20 0 DFADHO C[C@@H]1[C@H](N[C@H]2CCC[NH2+][C@H]2C)CCCN1Cc1ccccc1 ZINC000423398732 429081116 /nfs/dbraw/zinc/08/11/16/429081116.db2.gz VIKHUJOUVGAQKS-OGWHTMIXSA-N 1 3 301.478 2.770 20 0 DFADHO C[C@@H]1[C@H]([NH2+][C@H]2CCCN[C@H]2C)CCCN1Cc1ccccc1 ZINC000423398732 429081119 /nfs/dbraw/zinc/08/11/19/429081119.db2.gz VIKHUJOUVGAQKS-OGWHTMIXSA-N 1 3 301.478 2.770 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423403415 429081416 /nfs/dbraw/zinc/08/14/16/429081416.db2.gz SEYSXCDFRRCQLB-BZZMCLGOSA-N 1 3 302.462 2.958 20 0 DFADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423403415 429081421 /nfs/dbraw/zinc/08/14/21/429081421.db2.gz SEYSXCDFRRCQLB-BZZMCLGOSA-N 1 3 302.462 2.958 20 0 DFADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423408084 429082043 /nfs/dbraw/zinc/08/20/43/429082043.db2.gz WVJIKNMSKRKSMY-IGCXYCKISA-N 1 3 316.449 2.619 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000423419294 429085149 /nfs/dbraw/zinc/08/51/49/429085149.db2.gz VOYQBPHXOFKBOD-ROUUACIJSA-N 1 3 321.509 2.665 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000423419294 429085152 /nfs/dbraw/zinc/08/51/52/429085152.db2.gz VOYQBPHXOFKBOD-ROUUACIJSA-N 1 3 321.509 2.665 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCCN1C1CC1)[NH+]1CCCCC1 ZINC000434443448 429086620 /nfs/dbraw/zinc/08/66/20/429086620.db2.gz YUZGSBKPJGZKBZ-MSOLQXFVSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000423434970 429087444 /nfs/dbraw/zinc/08/74/44/429087444.db2.gz KXCWYUJACWRUCS-OAUYIBNBSA-N 1 3 305.441 2.930 20 0 DFADHO CC(C)[N@H+](C)CCCN[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000494695855 429144399 /nfs/dbraw/zinc/14/43/99/429144399.db2.gz YOWXLGAMUFXRSD-HUUCEWRRSA-N 1 3 313.486 2.752 20 0 DFADHO CC(C)[N@@H+](C)CCCN[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000494695855 429144403 /nfs/dbraw/zinc/14/44/03/429144403.db2.gz YOWXLGAMUFXRSD-HUUCEWRRSA-N 1 3 313.486 2.752 20 0 DFADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000494695855 429144411 /nfs/dbraw/zinc/14/44/11/429144411.db2.gz YOWXLGAMUFXRSD-HUUCEWRRSA-N 1 3 313.486 2.752 20 0 DFADHO COC(CN(C)CC1(C)CC[NH+](Cc2ccccc2)CC1)OC ZINC000363993916 429153133 /nfs/dbraw/zinc/15/31/33/429153133.db2.gz DUOHPWTWIJVNMC-UHFFFAOYSA-N 1 3 320.477 2.839 20 0 DFADHO CN(CCCc1nc(-c2ccccc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435620350 429153708 /nfs/dbraw/zinc/15/37/08/429153708.db2.gz BHFQIZOELQRSAL-INIZCTEOSA-N 1 3 314.433 2.743 20 0 DFADHO C[C@@H]1C[C@@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CN1C1CC1 ZINC000424138976 429098727 /nfs/dbraw/zinc/09/87/27/429098727.db2.gz CTWDVHAKBMWYCZ-HYVNUMGLSA-N 1 3 321.509 2.806 20 0 DFADHO CCN1CCC[C@@H]1CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424144295 429098834 /nfs/dbraw/zinc/09/88/34/429098834.db2.gz XDFFDRIIBUYCKN-IAGOWNOFSA-N 1 3 309.498 2.665 20 0 DFADHO Clc1ccccc1C[C@@H]([NH2+]C[C@@H]1CNCCCO1)C1CC1 ZINC000423496727 429099170 /nfs/dbraw/zinc/09/91/70/429099170.db2.gz XKFJDVBSEPISLR-DOTOQJQBSA-N 1 3 308.853 2.629 20 0 DFADHO Clc1ccccc1C[C@@H](NC[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000423496727 429099175 /nfs/dbraw/zinc/09/91/75/429099175.db2.gz XKFJDVBSEPISLR-DOTOQJQBSA-N 1 3 308.853 2.629 20 0 DFADHO C[C@@H](c1cccc(N2CCOCC2)c1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423506196 429101120 /nfs/dbraw/zinc/10/11/20/429101120.db2.gz HUVQWXSGUVFMTQ-JTDSTZFVSA-N 1 3 317.477 2.501 20 0 DFADHO C[C@@H](c1cccc(N2CCOCC2)c1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423506196 429101123 /nfs/dbraw/zinc/10/11/23/429101123.db2.gz HUVQWXSGUVFMTQ-JTDSTZFVSA-N 1 3 317.477 2.501 20 0 DFADHO CCc1ccccc1[C@H](N)CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423508867 429103193 /nfs/dbraw/zinc/10/31/93/429103193.db2.gz QZJIAEYKSYORBB-MKXGPGLRSA-N 1 3 301.478 2.711 20 0 DFADHO CCc1ccccc1[C@H](N)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423508867 429103195 /nfs/dbraw/zinc/10/31/95/429103195.db2.gz QZJIAEYKSYORBB-MKXGPGLRSA-N 1 3 301.478 2.711 20 0 DFADHO C[C@@H]1C[N@@H+]([C@@H]2CCCN(Cc3ccccc3)[C@@H]2C)C[C@@]1(C)CN ZINC000423507372 429104307 /nfs/dbraw/zinc/10/43/07/429104307.db2.gz JSXLSWSVAQWXIT-HNBVOPMISA-N 1 3 315.505 2.956 20 0 DFADHO C[C@@H]1C[N@H+]([C@@H]2CCCN(Cc3ccccc3)[C@@H]2C)C[C@@]1(C)CN ZINC000423507372 429104311 /nfs/dbraw/zinc/10/43/11/429104311.db2.gz JSXLSWSVAQWXIT-HNBVOPMISA-N 1 3 315.505 2.956 20 0 DFADHO COCCOc1ccc([C@@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000423510786 429104628 /nfs/dbraw/zinc/10/46/28/429104628.db2.gz OAXSAAQPPATJGP-IIDMSEBBSA-N 1 3 306.450 2.690 20 0 DFADHO COCCOc1ccc([C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000423510786 429104632 /nfs/dbraw/zinc/10/46/32/429104632.db2.gz OAXSAAQPPATJGP-IIDMSEBBSA-N 1 3 306.450 2.690 20 0 DFADHO COCCOc1ccc([C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000423510786 429104638 /nfs/dbraw/zinc/10/46/38/429104638.db2.gz OAXSAAQPPATJGP-IIDMSEBBSA-N 1 3 306.450 2.690 20 0 DFADHO Cc1ccc([C@H](NC[C@H]2C[NH2+]CCN2C)C2CCCC2)cc1 ZINC000423522891 429108087 /nfs/dbraw/zinc/10/80/87/429108087.db2.gz RXGKEHOWSRQVNG-RTBURBONSA-N 1 3 301.478 2.720 20 0 DFADHO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C12CCC2 ZINC000423530666 429110391 /nfs/dbraw/zinc/11/03/91/429110391.db2.gz RQPBSRWONAMDJV-JBBDOVMSSA-N 1 3 318.505 2.933 20 0 DFADHO CO[C@@H]1[C@@H](C)[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C12CCC2 ZINC000423530666 429110393 /nfs/dbraw/zinc/11/03/93/429110393.db2.gz RQPBSRWONAMDJV-JBBDOVMSSA-N 1 3 318.505 2.933 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1(C)C ZINC000423531592 429110904 /nfs/dbraw/zinc/11/09/04/429110904.db2.gz SXAXCJLZKKJJQS-OKCMZBEQSA-N 1 3 306.494 2.933 20 0 DFADHO CCO[C@@H]1C[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000423531592 429110908 /nfs/dbraw/zinc/11/09/08/429110908.db2.gz SXAXCJLZKKJJQS-OKCMZBEQSA-N 1 3 306.494 2.933 20 0 DFADHO COc1c(C)cnc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1C ZINC000424291276 429120790 /nfs/dbraw/zinc/12/07/90/429120790.db2.gz NIQAUXVFKGLSPM-AWEZNQCLSA-N 1 3 303.450 2.671 20 0 DFADHO CC(C)CCC[C@@H](C)NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297387 429121218 /nfs/dbraw/zinc/12/12/18/429121218.db2.gz SNIJMYNOXHGBIQ-IAGOWNOFSA-N 1 3 323.525 2.781 20 0 DFADHO CC(C)N(C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CCCC1 ZINC000424288681 429121367 /nfs/dbraw/zinc/12/13/67/429121367.db2.gz KYLDAQYKCGXWOG-INIZCTEOSA-N 1 3 321.509 2.630 20 0 DFADHO CCOC(=O)CC(C)(C)CCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000376515939 429127760 /nfs/dbraw/zinc/12/77/60/429127760.db2.gz WDJNLQLUJTWFTH-IXDOHACOSA-N 1 3 322.493 2.772 20 0 DFADHO CCOC(=O)CC(C)(C)CCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000376515939 429127762 /nfs/dbraw/zinc/12/77/62/429127762.db2.gz WDJNLQLUJTWFTH-IXDOHACOSA-N 1 3 322.493 2.772 20 0 DFADHO CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000435331567 429131080 /nfs/dbraw/zinc/13/10/80/429131080.db2.gz IBXAKPCTYVYYJK-RCCFBDPRSA-N 1 3 323.525 2.878 20 0 DFADHO CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000435331567 429131083 /nfs/dbraw/zinc/13/10/83/429131083.db2.gz IBXAKPCTYVYYJK-RCCFBDPRSA-N 1 3 323.525 2.878 20 0 DFADHO COc1cc(C)c(C[C@@H](C)N[C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424381737 429133426 /nfs/dbraw/zinc/13/34/26/429133426.db2.gz ZMNOSOLYEVVWJU-FVQBIDKESA-N 1 3 306.450 2.803 20 0 DFADHO CCC1(CC)[C@H](NCc2cc(C3CC[NH2+]CC3)no2)C[C@@H]1OC ZINC000424379880 429133886 /nfs/dbraw/zinc/13/38/86/429133886.db2.gz PKFHDJJJWQCMFM-SJORKVTESA-N 1 3 321.465 2.825 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000435377807 429135288 /nfs/dbraw/zinc/13/52/88/429135288.db2.gz FKJQGFINFPEXRP-NWANDNLSSA-N 1 3 300.406 2.537 20 0 DFADHO CCN(Cc1cn(-c2ccncc2)nc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435384725 429135494 /nfs/dbraw/zinc/13/54/94/429135494.db2.gz NXNIWNNBFQTRPK-QGZVFWFLSA-N 1 3 313.449 2.540 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@@H]3CCC[NH2+]3)CC2)o1 ZINC000435377097 429137715 /nfs/dbraw/zinc/13/77/15/429137715.db2.gz YBDZZRUGNXMIIJ-INIZCTEOSA-N 1 3 314.433 2.942 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cc(C)cc(CN)c1 ZINC000424430070 429142180 /nfs/dbraw/zinc/14/21/80/429142180.db2.gz YYSMWJQNHMPQTO-AWEZNQCLSA-N 1 3 306.454 2.696 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cc(C)cc(CN)c1 ZINC000424430070 429142184 /nfs/dbraw/zinc/14/21/84/429142184.db2.gz YYSMWJQNHMPQTO-AWEZNQCLSA-N 1 3 306.454 2.696 20 0 DFADHO CC[NH+](CC)CCOC1CCN(C/C=C\c2ccncc2)CC1 ZINC000494938418 429164631 /nfs/dbraw/zinc/16/46/31/429164631.db2.gz OKWFJYULBZFPPM-WAYWQWQTSA-N 1 3 317.477 2.918 20 0 DFADHO CCC(CC)[C@@H](CN[C@H]1CCC(=O)NC1(C)C)[NH+]1CCCC1 ZINC000494923029 429165188 /nfs/dbraw/zinc/16/51/88/429165188.db2.gz MJEOAGDCLSZKIS-CVEARBPZSA-N 1 3 309.498 2.534 20 0 DFADHO c1ccc(COC2CC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000364072068 429165888 /nfs/dbraw/zinc/16/58/88/429165888.db2.gz HLIMMXILCCEICH-BMHOQUIDSA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(COC2CC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000364072068 429165891 /nfs/dbraw/zinc/16/58/91/429165891.db2.gz HLIMMXILCCEICH-BMHOQUIDSA-N 1 3 300.446 2.951 20 0 DFADHO C[C@H](Cc1ccccc1)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000364330101 429182494 /nfs/dbraw/zinc/18/24/94/429182494.db2.gz UFQMNXWGJFTQKN-QUCCMNQESA-N 1 3 315.505 2.577 20 0 DFADHO C[C@H](Cc1ccccc1)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000364330101 429182495 /nfs/dbraw/zinc/18/24/95/429182495.db2.gz UFQMNXWGJFTQKN-QUCCMNQESA-N 1 3 315.505 2.577 20 0 DFADHO [NH3+]CC[C@@H]1CCCN(Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000442929569 429240203 /nfs/dbraw/zinc/24/02/03/429240203.db2.gz RUMAOOXIWKBMRL-ZDUSSCGKSA-N 1 3 302.397 2.777 20 0 DFADHO COC(=O)Nc1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000495754533 429259871 /nfs/dbraw/zinc/25/98/71/429259871.db2.gz QPUJUMHTESJGED-UHFFFAOYSA-N 1 3 317.433 2.829 20 0 DFADHO c1ccc2c(c1)cccc2CCCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489823104 429262711 /nfs/dbraw/zinc/26/27/11/429262711.db2.gz FMDMCRLDWPZXRM-FQEVSTJZSA-N 1 3 323.484 2.752 20 0 DFADHO CC(C)N(C)CCC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495801427 429269771 /nfs/dbraw/zinc/26/97/71/429269771.db2.gz CQBVJYAXUKECOS-AWEZNQCLSA-N 1 3 313.486 2.562 20 0 DFADHO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000425352979 429274203 /nfs/dbraw/zinc/27/42/03/429274203.db2.gz MYMOWGFORYLOTI-ROUUACIJSA-N 1 3 320.502 2.627 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449075361 429325367 /nfs/dbraw/zinc/32/53/67/429325367.db2.gz DZUJFRGZKLECHA-UHFFFAOYSA-N 1 3 315.461 2.940 20 0 DFADHO CN[C@H](CC(C)(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000449098596 429330659 /nfs/dbraw/zinc/33/06/59/429330659.db2.gz KAQQUDJFOXLEJS-LSDHHAIUSA-N 1 3 311.514 2.637 20 0 DFADHO CN[C@H](CC(C)(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000449098596 429330661 /nfs/dbraw/zinc/33/06/61/429330661.db2.gz KAQQUDJFOXLEJS-LSDHHAIUSA-N 1 3 311.514 2.637 20 0 DFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000449098596 429330665 /nfs/dbraw/zinc/33/06/65/429330665.db2.gz KAQQUDJFOXLEJS-LSDHHAIUSA-N 1 3 311.514 2.637 20 0 DFADHO COc1cc(C)ccc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000449103795 429333011 /nfs/dbraw/zinc/33/30/11/429333011.db2.gz RZWCYXDBZIRVPJ-IAGOWNOFSA-N 1 3 320.477 2.983 20 0 DFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000449107605 429334351 /nfs/dbraw/zinc/33/43/51/429334351.db2.gz MZXJAFZHKZCSHQ-IRXDYDNUSA-N 1 3 319.493 2.950 20 0 DFADHO Cc1n[nH]cc1C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449157265 429345640 /nfs/dbraw/zinc/34/56/40/429345640.db2.gz PQTSBSBAOKDIIH-HNNXBMFYSA-N 1 3 312.461 2.903 20 0 DFADHO COc1ccccc1-c1ncc(CNCCCC[NH+](C)C)cn1 ZINC000490794698 429307487 /nfs/dbraw/zinc/30/74/87/429307487.db2.gz DKUGKFIEBCFZCF-UHFFFAOYSA-N 1 3 314.433 2.584 20 0 DFADHO FC(F)(F)C1CC(NCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425892818 429349774 /nfs/dbraw/zinc/34/97/74/429349774.db2.gz AMPVHBSEUBLKPQ-UHFFFAOYSA-N 1 3 303.328 2.572 20 0 DFADHO CC(C)[C@@H]1OCCC[C@H]1CNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425902157 429350692 /nfs/dbraw/zinc/35/06/92/429350692.db2.gz RUEJRNZOZKNWFY-YJBOKZPZSA-N 1 3 321.465 2.682 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2cccc3ccoc32)CC1 ZINC000449187363 429352373 /nfs/dbraw/zinc/35/23/73/429352373.db2.gz IVUWTXHDRVEZRP-UHFFFAOYSA-N 1 3 302.418 2.758 20 0 DFADHO Cc1cccc(CCNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000449183253 429353267 /nfs/dbraw/zinc/35/32/67/429353267.db2.gz FHTLGSBPJQCBQA-UXHICEINSA-N 1 3 316.489 2.895 20 0 DFADHO C[C@H](Cc1ccoc1)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000449235068 429362753 /nfs/dbraw/zinc/36/27/53/429362753.db2.gz SOMCFDMGEVCUMN-DNVCBOLYSA-N 1 3 314.429 2.567 20 0 DFADHO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2ccncc2OCCN(C)C)C1 ZINC000449330062 429389988 /nfs/dbraw/zinc/38/99/88/429389988.db2.gz RLDYZLWWDRKEHN-INMHGKMJSA-N 1 3 305.466 2.936 20 0 DFADHO COc1cc2c(cc1CNCC[C@@H]1CCC[N@H+](C)C1)O[C@@H](C)C2 ZINC000518924319 429439729 /nfs/dbraw/zinc/43/97/29/429439729.db2.gz CIYNBORRGXRONJ-GJZGRUSLSA-N 1 3 318.461 2.840 20 0 DFADHO COc1cc2c(cc1CNCC[C@@H]1CCC[N@@H+](C)C1)O[C@@H](C)C2 ZINC000518924319 429439733 /nfs/dbraw/zinc/43/97/33/429439733.db2.gz CIYNBORRGXRONJ-GJZGRUSLSA-N 1 3 318.461 2.840 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H](O)C(F)F ZINC000449425050 429414444 /nfs/dbraw/zinc/41/44/44/429414444.db2.gz QXFCAMKPWNDSEG-CABCVRRESA-N 1 3 304.425 2.778 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1C=CCCC1 ZINC000427100065 429431117 /nfs/dbraw/zinc/43/11/17/429431117.db2.gz KOPYWINEYREPPV-MSOLQXFVSA-N 1 3 321.509 2.607 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1C=CCCC1 ZINC000427100065 429431120 /nfs/dbraw/zinc/43/11/20/429431120.db2.gz KOPYWINEYREPPV-MSOLQXFVSA-N 1 3 321.509 2.607 20 0 DFADHO CC1CCN(c2ccc(CN[C@@H]3CCC[C@H]([NH3+])C3)cn2)CC1 ZINC000519613723 429471950 /nfs/dbraw/zinc/47/19/50/429471950.db2.gz NDTGYGSAISFFPW-DLBZAZTESA-N 1 3 302.466 2.677 20 0 DFADHO c1cn2c(n1)C[C@H](NC1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000427873529 429475871 /nfs/dbraw/zinc/47/58/71/429475871.db2.gz ZOTZIBGSZXJSFN-MRXNPFEDSA-N 1 3 302.466 2.585 20 0 DFADHO c1cn2c(n1)C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC000427873529 429475873 /nfs/dbraw/zinc/47/58/73/429475873.db2.gz ZOTZIBGSZXJSFN-MRXNPFEDSA-N 1 3 302.466 2.585 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000427894302 429477293 /nfs/dbraw/zinc/47/72/93/429477293.db2.gz LPPONPXXZPGWRR-UHFFFAOYSA-N 1 3 317.477 2.850 20 0 DFADHO Cc1ccc(CN2CCCC2)cc1NC(=O)/C=C/C[NH+](C)C ZINC000492229953 429491173 /nfs/dbraw/zinc/49/11/73/429491173.db2.gz AAHVUJLRRPNSRB-VOTSOKGWSA-N 1 3 301.434 2.647 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCC2)CCN1Cc1ccccc1 ZINC000520428175 429515376 /nfs/dbraw/zinc/51/53/76/429515376.db2.gz MYVCSRDKUCBEDB-HKUYNNGSSA-N 1 3 301.478 2.725 20 0 DFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCCN1C1CCCC1 ZINC000449810444 429516071 /nfs/dbraw/zinc/51/60/71/429516071.db2.gz LXVRZHUNBBCNHQ-KBAYOESNSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCCN1C1CCCC1 ZINC000449810444 429516074 /nfs/dbraw/zinc/51/60/74/429516074.db2.gz LXVRZHUNBBCNHQ-KBAYOESNSA-N 1 3 319.493 2.527 20 0 DFADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000366794393 429516826 /nfs/dbraw/zinc/51/68/26/429516826.db2.gz ZPWSKGCRAWQASC-BRWVUGGUSA-N 1 3 304.482 2.768 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000521369576 429548370 /nfs/dbraw/zinc/54/83/70/429548370.db2.gz AJUQYQZGHUOLID-GJZGRUSLSA-N 1 3 302.397 2.679 20 0 DFADHO C[NH+](C)CC1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000449930278 429538747 /nfs/dbraw/zinc/53/87/47/429538747.db2.gz LKWNOVKFEXLPGB-GOSISDBHSA-N 1 3 321.509 2.584 20 0 DFADHO Cc1cc(NC[C@@H]2CSCCN2Cc2ccccc2)cc[nH+]1 ZINC000428665639 429543129 /nfs/dbraw/zinc/54/31/29/429543129.db2.gz FCXUSBWJYSWGRC-GOSISDBHSA-N 1 3 313.470 2.841 20 0 DFADHO C[NH+]1CCC2(CCCN(Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000366949550 429544594 /nfs/dbraw/zinc/54/45/94/429544594.db2.gz BZBMEPBWEJCHAU-UHFFFAOYSA-N 1 3 316.445 2.766 20 0 DFADHO CN(CCN1CCC([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000429731489 429629040 /nfs/dbraw/zinc/62/90/40/429629040.db2.gz RGPOKQQILITTAV-UHFFFAOYSA-N 1 3 301.478 2.679 20 0 DFADHO CC(=O)Oc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000367211492 429597969 /nfs/dbraw/zinc/59/79/69/429597969.db2.gz LEBLDXQHWNFWBA-SJPCQFCGSA-N 1 3 302.418 2.669 20 0 DFADHO CC(=O)Oc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000367211492 429597972 /nfs/dbraw/zinc/59/79/72/429597972.db2.gz LEBLDXQHWNFWBA-SJPCQFCGSA-N 1 3 302.418 2.669 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@H](C[NH3+])CC(C)C)cc1)C1CC1 ZINC000429318581 429599234 /nfs/dbraw/zinc/59/92/34/429599234.db2.gz RNCSPCIGDMXQHK-QGZVFWFLSA-N 1 3 317.477 2.774 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)[C@@H](C)C1 ZINC000429460198 429609584 /nfs/dbraw/zinc/60/95/84/429609584.db2.gz XENYQWQLLOQGNC-QZHFEQFPSA-N 1 3 320.452 2.612 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)[C@@H](C)C1 ZINC000429460198 429609587 /nfs/dbraw/zinc/60/95/87/429609587.db2.gz XENYQWQLLOQGNC-QZHFEQFPSA-N 1 3 320.452 2.612 20 0 DFADHO CCN(Cc1ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc1)C1CC1 ZINC000429529954 429612156 /nfs/dbraw/zinc/61/21/56/429612156.db2.gz ODCCDINPULTTEX-UHFFFAOYSA-N 1 3 317.477 2.728 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450373327 429612303 /nfs/dbraw/zinc/61/23/03/429612303.db2.gz TXIQXSJZDGWWCK-KGLIPLIRSA-N 1 3 304.425 2.589 20 0 DFADHO C[C@H](C(=O)Nc1cccc2c1C[NH2+]CC2)N1CCCCCC1 ZINC000367508020 429661802 /nfs/dbraw/zinc/66/18/02/429661802.db2.gz QUIZWMZIDPNTRB-CQSZACIVSA-N 1 3 301.434 2.535 20 0 DFADHO CC1(C)NC(=O)CC[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000367243593 276152930 /nfs/dbraw/zinc/15/29/30/276152930.db2.gz ASQVKBGNRYPOKV-KRWDZBQOSA-N 1 3 321.509 2.678 20 0 DFADHO CC1(C)NC(=O)CC[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000367243593 276152931 /nfs/dbraw/zinc/15/29/31/276152931.db2.gz ASQVKBGNRYPOKV-KRWDZBQOSA-N 1 3 321.509 2.678 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc(-n3cccn3)cc2)[C@@H]2CCC[C@@H]21 ZINC000367638983 429690934 /nfs/dbraw/zinc/69/09/34/429690934.db2.gz SLIVCHSJKIQJJL-FHWLQOOXSA-N 1 3 310.445 2.835 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc(-n3cccn3)cc2)[C@@H]2CCC[C@@H]21 ZINC000367638983 429690939 /nfs/dbraw/zinc/69/09/39/429690939.db2.gz SLIVCHSJKIQJJL-FHWLQOOXSA-N 1 3 310.445 2.835 20 0 DFADHO CC(C)[C@](C)(C[NH3+])NCCOc1ccc(OC(F)(F)F)cc1 ZINC000430594741 429698514 /nfs/dbraw/zinc/69/85/14/429698514.db2.gz LKUSSRQQEPPMLG-AWEZNQCLSA-N 1 3 320.355 2.927 20 0 DFADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCn1nc(C)cc1C ZINC000450763121 429694284 /nfs/dbraw/zinc/69/42/84/429694284.db2.gz SZJKMPOXSIBNMR-QZTJIDSGSA-N 1 3 306.498 2.990 20 0 DFADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCn1nc(C)cc1C ZINC000450763121 429694289 /nfs/dbraw/zinc/69/42/89/429694289.db2.gz SZJKMPOXSIBNMR-QZTJIDSGSA-N 1 3 306.498 2.990 20 0 DFADHO CCO[C@@H]1COCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000354972003 276339941 /nfs/dbraw/zinc/33/99/41/276339941.db2.gz TYYXSHCYWAWCOW-ZWKOTPCHSA-N 1 3 310.482 2.567 20 0 DFADHO C[C@@H]1CCC[C@@H](C[N@H+](C)[C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000367673252 429697788 /nfs/dbraw/zinc/69/77/88/429697788.db2.gz RCZJALWQPSWVSF-ZHALLVOQSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCC[C@@H](C[N@@H+](C)[C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000367673252 429697791 /nfs/dbraw/zinc/69/77/91/429697791.db2.gz RCZJALWQPSWVSF-ZHALLVOQSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCC2(O)CCOCC2)CC1 ZINC000367711028 429705499 /nfs/dbraw/zinc/70/54/99/429705499.db2.gz ZZBQNQZERPTODL-FUHWJXTLSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CCC2(O)CCOCC2)CC1 ZINC000367711028 429705503 /nfs/dbraw/zinc/70/55/03/429705503.db2.gz ZZBQNQZERPTODL-FUHWJXTLSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000430889153 429721247 /nfs/dbraw/zinc/72/12/47/429721247.db2.gz LWPMBNFJPDPWQC-TWMKSMIVSA-N 1 3 309.498 2.663 20 0 DFADHO C[C@H]1CN(CCC(=O)Nc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000430964949 429731664 /nfs/dbraw/zinc/73/16/64/429731664.db2.gz JUTKUYVGHXVAJG-YOEHRIQHSA-N 1 3 311.429 2.838 20 0 DFADHO CCC[N@H+](CCc1nc(-c2ccccc2)no1)C1CCNCC1 ZINC000431085490 429741631 /nfs/dbraw/zinc/74/16/31/429741631.db2.gz RAZNKGWNZNYSNF-UHFFFAOYSA-N 1 3 314.433 2.743 20 0 DFADHO CCC[N@@H+](CCc1nc(-c2ccccc2)no1)C1CCNCC1 ZINC000431085490 429741633 /nfs/dbraw/zinc/74/16/33/429741633.db2.gz RAZNKGWNZNYSNF-UHFFFAOYSA-N 1 3 314.433 2.743 20 0 DFADHO C[C@@H](c1ccccc1)[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450984591 429743296 /nfs/dbraw/zinc/74/32/96/429743296.db2.gz WWXJMWSKFXTYLC-NFEZDNKESA-N 1 3 302.462 2.708 20 0 DFADHO C[C@@H](c1ccccc1)[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450984591 429743300 /nfs/dbraw/zinc/74/33/00/429743300.db2.gz WWXJMWSKFXTYLC-NFEZDNKESA-N 1 3 302.462 2.708 20 0 DFADHO Cc1cc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccn1 ZINC000527535949 429757556 /nfs/dbraw/zinc/75/75/56/429757556.db2.gz VXOOENJFKNMWKW-IRXDYDNUSA-N 1 3 317.477 2.711 20 0 DFADHO OC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000367997818 429761841 /nfs/dbraw/zinc/76/18/41/429761841.db2.gz GLLMHZUEEBKOLF-GUDVDZBRSA-N 1 3 314.473 2.792 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c2ccccc21 ZINC000368005423 429765384 /nfs/dbraw/zinc/76/53/84/429765384.db2.gz IPEMOPGYQGWVNO-JXXFODFXSA-N 1 3 313.489 2.993 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2[C@H]1CCc2ccccc21 ZINC000368017770 429766359 /nfs/dbraw/zinc/76/63/59/429766359.db2.gz IDEBVVOVFCOFQH-QXCFHYIPSA-N 1 3 300.446 2.857 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CC12CC2 ZINC000527907422 429817764 /nfs/dbraw/zinc/81/77/64/429817764.db2.gz HYIXBQOPTOCLHO-SJLPKXTDSA-N 1 3 314.473 2.792 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000451372835 429818981 /nfs/dbraw/zinc/81/89/81/429818981.db2.gz QYQBRUPVRLOCJR-FYQPLNBISA-N 1 3 317.521 2.547 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000451372835 429818984 /nfs/dbraw/zinc/81/89/84/429818984.db2.gz QYQBRUPVRLOCJR-FYQPLNBISA-N 1 3 317.521 2.547 20 0 DFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)COC2 ZINC000432415552 429821997 /nfs/dbraw/zinc/82/19/97/429821997.db2.gz NJYHZIKHMJSRNA-HZPDHXFCSA-N 1 3 318.461 2.868 20 0 DFADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)COC2 ZINC000432415552 429821998 /nfs/dbraw/zinc/82/19/98/429821998.db2.gz NJYHZIKHMJSRNA-HZPDHXFCSA-N 1 3 318.461 2.868 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)OC)c1 ZINC000527930776 429823530 /nfs/dbraw/zinc/82/35/30/429823530.db2.gz WAHDOBHUHICMNW-MKXGPGLRSA-N 1 3 318.461 2.845 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)OC)c1 ZINC000527930776 429823534 /nfs/dbraw/zinc/82/35/34/429823534.db2.gz WAHDOBHUHICMNW-MKXGPGLRSA-N 1 3 318.461 2.845 20 0 DFADHO CCN(C(=O)CCC[NH2+]C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368453897 429851353 /nfs/dbraw/zinc/85/13/53/429851353.db2.gz NCBYYDWSATZBEX-AEFFLSMTSA-N 1 3 317.477 2.670 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(OC)cc1 ZINC000154264670 276584705 /nfs/dbraw/zinc/58/47/05/276584705.db2.gz GIARXAXWOBWRDS-IBGZPJMESA-N 1 3 319.493 2.764 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCCC1CCOCC1 ZINC000368530472 429862732 /nfs/dbraw/zinc/86/27/32/429862732.db2.gz MRWZXLUFPBHUTA-QYZOEREBSA-N 1 3 324.509 2.767 20 0 DFADHO COCC(C)(C)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000494338728 429867595 /nfs/dbraw/zinc/86/75/95/429867595.db2.gz LCYZLJOKVYIHDF-SFHVURJKSA-N 1 3 304.478 2.813 20 0 DFADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC2CC(C)(C)C2)CC1 ZINC000528365823 429880137 /nfs/dbraw/zinc/88/01/37/429880137.db2.gz MQWUPJFIYYMGPW-IRXDYDNUSA-N 1 3 307.526 2.913 20 0 DFADHO CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000528478080 429892256 /nfs/dbraw/zinc/89/22/56/429892256.db2.gz SOWLFRGYLSSENJ-MSOLQXFVSA-N 1 3 308.441 2.799 20 0 DFADHO CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000528478080 429892257 /nfs/dbraw/zinc/89/22/57/429892257.db2.gz SOWLFRGYLSSENJ-MSOLQXFVSA-N 1 3 308.441 2.799 20 0 DFADHO COc1ccc(CN2CCCC3(CC[NH+](C)CC3)C2)cc1O ZINC000369204044 429919410 /nfs/dbraw/zinc/91/94/10/429919410.db2.gz NKFDRSOFEABHGT-UHFFFAOYSA-N 1 3 304.434 2.709 20 0 DFADHO CCc1ccccc1CCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000369348045 429927969 /nfs/dbraw/zinc/92/79/69/429927969.db2.gz GUNISXKJLTXSQQ-XUVXKRRUSA-N 1 3 316.489 2.975 20 0 DFADHO CC(=O)N1CC[C@H]([NH2+]CC2(N)CCCCC2)c2ccccc2C1 ZINC000573711429 429974306 /nfs/dbraw/zinc/97/43/06/429974306.db2.gz SJMDIBJZHZCJGC-SFHVURJKSA-N 1 3 315.461 2.731 20 0 DFADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(N2CCOCC2)c1 ZINC000573711342 429974623 /nfs/dbraw/zinc/97/46/23/429974623.db2.gz HVRMOZSUJZJBJM-KVSKMBFKSA-N 1 3 317.477 2.691 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)c1cccc(N2CCOCC2)c1 ZINC000573711342 429974626 /nfs/dbraw/zinc/97/46/26/429974626.db2.gz HVRMOZSUJZJBJM-KVSKMBFKSA-N 1 3 317.477 2.691 20 0 DFADHO N[C@H]1CCC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000573793198 429983588 /nfs/dbraw/zinc/98/35/88/429983588.db2.gz XIFLVUVYAZZEPV-WDEREUQCSA-N 1 3 322.762 2.635 20 0 DFADHO Clc1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCO2 ZINC000574277515 430027929 /nfs/dbraw/zinc/02/79/29/430027929.db2.gz KZJPBVCWFIVVQT-ZIAGYGMSSA-N 1 3 322.836 2.890 20 0 DFADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000639907250 430017890 /nfs/dbraw/zinc/01/78/90/430017890.db2.gz IGFWWKGRKATDMT-XKQJLSEDSA-N 1 3 310.388 2.869 20 0 DFADHO CC1(C)C[NH2+]CC[C@@H](NCc2cc(-n3ccnc3)cs2)C1 ZINC000634732995 430093547 /nfs/dbraw/zinc/09/35/47/430093547.db2.gz UALPCVWKWIWBLZ-CYBMUJFWSA-N 1 3 304.463 2.802 20 0 DFADHO COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCNC23CCC3)cc1F ZINC000530245117 430107128 /nfs/dbraw/zinc/10/71/28/430107128.db2.gz UMZNCTGMTUEZLF-CXAGYDPISA-N 1 3 306.425 2.887 20 0 DFADHO COc1cccc([C@H](C)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530243006 430107339 /nfs/dbraw/zinc/10/73/39/430107339.db2.gz WFHDIWSTLWHLGX-HNAYVOBHSA-N 1 3 318.461 2.847 20 0 DFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000560598037 430057246 /nfs/dbraw/zinc/05/72/46/430057246.db2.gz QCTNXSTYURCRFY-WMZOPIPTSA-N 1 3 317.477 2.670 20 0 DFADHO COc1cc2c(cc1OC)[C@H](N(C)C[C@H]1CCC[N@H+](C)C1)CC2 ZINC000637930256 430176942 /nfs/dbraw/zinc/17/69/42/430176942.db2.gz LQVDEPMBSXHZSM-WMLDXEAASA-N 1 3 318.461 2.965 20 0 DFADHO COc1cc2c(cc1OC)[C@H](N(C)C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000637930256 430176945 /nfs/dbraw/zinc/17/69/45/430176945.db2.gz LQVDEPMBSXHZSM-WMLDXEAASA-N 1 3 318.461 2.965 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCc4sccc43)C2)CC1 ZINC000370638884 277027982 /nfs/dbraw/zinc/02/79/82/277027982.db2.gz ZZJCFEBCAFABLZ-RHSMWYFYSA-N 1 3 319.518 2.884 20 0 DFADHO Nc1ccc(-c2cccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000634991393 430185388 /nfs/dbraw/zinc/18/53/88/430185388.db2.gz CCTBNAHATFNCDE-ZYSHUDEJSA-N 1 3 322.456 2.890 20 0 DFADHO CC1CCN([C@@H](CNCC23CC(C2)C[NH2+]3)c2cccs2)CC1 ZINC000634995707 430187603 /nfs/dbraw/zinc/18/76/03/430187603.db2.gz MUZXGBGSFWNJKX-PQUAAJSLSA-N 1 3 319.518 2.863 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(C)CC2)c2ccccc21 ZINC000581215613 430187750 /nfs/dbraw/zinc/18/77/50/430187750.db2.gz VIWMKHXFIWKNTE-VQIMIIECSA-N 1 3 301.478 2.852 20 0 DFADHO C[C@]1(CN[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC[NH2+]C1 ZINC000634997545 430190382 /nfs/dbraw/zinc/19/03/82/430190382.db2.gz NRMGXDHBUNFZPV-XZDPQHSOSA-N 1 3 321.262 2.676 20 0 DFADHO C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cnccc1N ZINC000635002992 430191929 /nfs/dbraw/zinc/19/19/29/430191929.db2.gz DEMCJLXYHVSTGW-BQFCYCMXSA-N 1 3 324.472 2.913 20 0 DFADHO C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cnccc1N ZINC000635002992 430191935 /nfs/dbraw/zinc/19/19/35/430191935.db2.gz DEMCJLXYHVSTGW-BQFCYCMXSA-N 1 3 324.472 2.913 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNCC(C)(C)C2)C1 ZINC000635007713 430193340 /nfs/dbraw/zinc/19/33/40/430193340.db2.gz BEDLOSOQFPQKFR-OAGGEKHMSA-N 1 3 304.482 2.814 20 0 DFADHO CN1CCN(CCCC[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000581355543 430201132 /nfs/dbraw/zinc/20/11/32/430201132.db2.gz LSDVASILBKYZMO-UHFFFAOYSA-N 1 3 301.478 2.681 20 0 DFADHO COC1(CNC2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000090652445 277187236 /nfs/dbraw/zinc/18/72/36/277187236.db2.gz CPCUQRBWPWMHJF-UHFFFAOYSA-N 1 3 310.482 2.569 20 0 DFADHO COC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCOCC1 ZINC000090652445 277187237 /nfs/dbraw/zinc/18/72/37/277187237.db2.gz CPCUQRBWPWMHJF-UHFFFAOYSA-N 1 3 310.482 2.569 20 0 DFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(F)cc1F ZINC000635008295 430195716 /nfs/dbraw/zinc/19/57/16/430195716.db2.gz IQEMSVTXILFQDX-LBPRGKRZSA-N 1 3 318.371 2.943 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012324 430195916 /nfs/dbraw/zinc/19/59/16/430195916.db2.gz SNLDIYSROGIAPO-CVEARBPZSA-N 1 3 317.477 2.796 20 0 DFADHO Cc1nc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(C)s1 ZINC000635008331 430196400 /nfs/dbraw/zinc/19/64/00/430196400.db2.gz ITOILMLMKYZUSG-NSHDSACASA-N 1 3 317.462 2.738 20 0 DFADHO C[C@H](Cc1cccs1)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635011296 430196519 /nfs/dbraw/zinc/19/65/19/430196519.db2.gz ZBSGZGSDXTUKJQ-CYBMUJFWSA-N 1 3 302.447 2.596 20 0 DFADHO CC(C)[C@@H]1CCN(CC2(C[N@@H+]3CC[C@@H](C(C)C)C3)COC2)C1 ZINC000541999897 430199036 /nfs/dbraw/zinc/19/90/36/430199036.db2.gz FKDNIAAENGDQLD-QZTJIDSGSA-N 1 3 308.510 2.959 20 0 DFADHO CC(C)[C@@H]1CCN(CC2(C[N@H+]3CC[C@@H](C(C)C)C3)COC2)C1 ZINC000541999897 430199041 /nfs/dbraw/zinc/19/90/41/430199041.db2.gz FKDNIAAENGDQLD-QZTJIDSGSA-N 1 3 308.510 2.959 20 0 DFADHO CNC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000358269320 277243111 /nfs/dbraw/zinc/24/31/11/277243111.db2.gz UOPREWCUARDSMO-OWLYRPNTSA-N 1 3 321.509 2.534 20 0 DFADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000358269320 277243112 /nfs/dbraw/zinc/24/31/12/277243112.db2.gz UOPREWCUARDSMO-OWLYRPNTSA-N 1 3 321.509 2.534 20 0 DFADHO CC(C)CN1CCC([NH2+]CCC(=O)Nc2cccc(F)c2)CC1 ZINC000581424346 430205215 /nfs/dbraw/zinc/20/52/15/430205215.db2.gz KRKTTWFSBMCXJT-UHFFFAOYSA-N 1 3 321.440 2.864 20 0 DFADHO CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000638051801 430218406 /nfs/dbraw/zinc/21/84/06/430218406.db2.gz RJJBKGWZSPLYFM-GJZGRUSLSA-N 1 3 323.506 2.765 20 0 DFADHO CN(C)Cc1cccc(NC(=O)Cc2cccc3c2CC[NH2+]C3)c1 ZINC000638066170 430222959 /nfs/dbraw/zinc/22/29/59/430222959.db2.gz DUZWFKCXFGDLQN-UHFFFAOYSA-N 1 3 323.440 2.575 20 0 DFADHO CN(Cc1ccccc1OCCCCO)CC1CC[NH+](C)CC1 ZINC000638029889 430212522 /nfs/dbraw/zinc/21/25/22/430212522.db2.gz XENQHVBXOFHLRC-UHFFFAOYSA-N 1 3 320.477 2.612 20 0 DFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2scnc2C2CC2)CC1 ZINC000565468148 430213021 /nfs/dbraw/zinc/21/30/21/430213021.db2.gz AAPDFDXCVILIIQ-PBHICJAKSA-N 1 3 321.490 2.739 20 0 DFADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000581825090 430241500 /nfs/dbraw/zinc/24/15/00/430241500.db2.gz YTHCTCFRDNUZOV-CYBMUJFWSA-N 1 3 309.413 2.881 20 0 DFADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2c2ccccc2)c2ccccc21 ZINC000581878499 430247349 /nfs/dbraw/zinc/24/73/49/430247349.db2.gz JPSZDTAGGKVTNS-MLYOOKFZSA-N 1 3 321.424 2.741 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CN(C)CC(C)(C)C ZINC000635323849 430254916 /nfs/dbraw/zinc/25/49/16/430254916.db2.gz DMZHTMMGHMIRKF-MRXNPFEDSA-N 1 3 311.514 2.735 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CN(C)CC(C)(C)C ZINC000635323849 430254919 /nfs/dbraw/zinc/25/49/19/430254919.db2.gz DMZHTMMGHMIRKF-MRXNPFEDSA-N 1 3 311.514 2.735 20 0 DFADHO CC[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000638076743 430228545 /nfs/dbraw/zinc/22/85/45/430228545.db2.gz MYQYVUZGZSKKND-SJLPKXTDSA-N 1 3 317.477 2.574 20 0 DFADHO CC[NH2+][C@H](C)C(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000638079621 430228908 /nfs/dbraw/zinc/22/89/08/430228908.db2.gz PASJAOLPKUOSCI-NUJGCVRESA-N 1 3 317.477 2.668 20 0 DFADHO Cc1ccc(CC[NH2+]C2CCN(C3CCN(C)CC3)CC2)cc1 ZINC000638459657 430348652 /nfs/dbraw/zinc/34/86/52/430348652.db2.gz LIZILPRVVUPFRN-UHFFFAOYSA-N 1 3 315.505 2.686 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CC1(F)F ZINC000638272790 430290560 /nfs/dbraw/zinc/29/05/60/430290560.db2.gz CHKYJUVOAYIMCL-GUYCJALGSA-N 1 3 324.415 2.777 20 0 DFADHO CCN[C@@H](C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000638301096 430297184 /nfs/dbraw/zinc/29/71/84/430297184.db2.gz BODKXTCHACUQOH-INIZCTEOSA-N 1 3 317.477 2.898 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H]3CCCO3)C2)s1 ZINC000567994177 430303223 /nfs/dbraw/zinc/30/32/23/430303223.db2.gz FKNMJVLBEJQBTA-HZPDHXFCSA-N 1 3 308.491 2.989 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H]3CCCO3)C2)s1 ZINC000567994177 430303229 /nfs/dbraw/zinc/30/32/29/430303229.db2.gz FKNMJVLBEJQBTA-HZPDHXFCSA-N 1 3 308.491 2.989 20 0 DFADHO Cc1ccc(CNCCN2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000582490119 430304610 /nfs/dbraw/zinc/30/46/10/430304610.db2.gz SETFFVZJMQYAQF-UHFFFAOYSA-N 1 3 309.885 2.764 20 0 DFADHO COc1ncc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000638369368 430319226 /nfs/dbraw/zinc/31/92/26/430319226.db2.gz GNZFWUMZLMUPEQ-KBPBESRZSA-N 1 3 311.495 2.999 20 0 DFADHO COCCOCCN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638417390 430334732 /nfs/dbraw/zinc/33/47/32/430334732.db2.gz FTMOBQCYSQBZFU-MJGOQNOKSA-N 1 3 318.461 2.607 20 0 DFADHO COCCOCCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638417390 430334734 /nfs/dbraw/zinc/33/47/34/430334734.db2.gz FTMOBQCYSQBZFU-MJGOQNOKSA-N 1 3 318.461 2.607 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCOc2ccc(Br)cc2)C1 ZINC000568247591 430338857 /nfs/dbraw/zinc/33/88/57/430338857.db2.gz QXNVIJJSYCGFRC-OLZOCXBDSA-N 1 3 313.239 2.687 20 0 DFADHO Cc1ccc2c(c1)CC[C@@H]2NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638426069 430339862 /nfs/dbraw/zinc/33/98/62/430339862.db2.gz SFWPUVBJVNSYCS-SFHVURJKSA-N 1 3 302.462 2.807 20 0 DFADHO C[C@@H](O)CN(Cc1ccccc1)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000582899477 430344761 /nfs/dbraw/zinc/34/47/61/430344761.db2.gz PHQXMHCGVAWRHN-CRAIPNDOSA-N 1 3 316.420 2.751 20 0 DFADHO C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](CN)c1ccc(F)cc1 ZINC000582899477 430344766 /nfs/dbraw/zinc/34/47/66/430344766.db2.gz PHQXMHCGVAWRHN-CRAIPNDOSA-N 1 3 316.420 2.751 20 0 DFADHO C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H](CN)c1ccc(F)cc1 ZINC000582899477 430344768 /nfs/dbraw/zinc/34/47/68/430344768.db2.gz PHQXMHCGVAWRHN-CRAIPNDOSA-N 1 3 316.420 2.751 20 0 DFADHO CCN1CCC[C@@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638450784 430347332 /nfs/dbraw/zinc/34/73/32/430347332.db2.gz HMJOWOLUXXRLHY-ZWKOTPCHSA-N 1 3 301.478 2.834 20 0 DFADHO Cc1ccc(O[C@H](C)CNC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638701489 430414089 /nfs/dbraw/zinc/41/40/89/430414089.db2.gz FWEZYMPJHGFSFM-MRXNPFEDSA-N 1 3 320.477 2.587 20 0 DFADHO COC(=O)CCCN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000583051390 430358879 /nfs/dbraw/zinc/35/88/79/430358879.db2.gz MGXNIDCKFNZNHC-OAHLLOKOSA-N 1 3 324.490 2.763 20 0 DFADHO COC(=O)CCCN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000583051390 430358881 /nfs/dbraw/zinc/35/88/81/430358881.db2.gz MGXNIDCKFNZNHC-OAHLLOKOSA-N 1 3 324.490 2.763 20 0 DFADHO CCOC1CC(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000638522133 430366274 /nfs/dbraw/zinc/36/62/74/430366274.db2.gz XOUGKMUZELOJQL-HDYDNRTBSA-N 1 3 316.489 2.956 20 0 DFADHO Cc1ccc2c(c1)[C@H](NC1CC[NH+](CC(C)(C)O)CC1)CC2 ZINC000638543058 430372289 /nfs/dbraw/zinc/37/22/89/430372289.db2.gz COMZCKNEMGNRRZ-GOSISDBHSA-N 1 3 302.462 2.807 20 0 DFADHO COc1cc(C[C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)ccn1 ZINC000638566374 430377878 /nfs/dbraw/zinc/37/78/78/430377878.db2.gz HCNIYSGIOYGDLP-NVXWUHKLSA-N 1 3 305.466 2.731 20 0 DFADHO COc1cc(C[C@@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)ccn1 ZINC000638566374 430377881 /nfs/dbraw/zinc/37/78/81/430377881.db2.gz HCNIYSGIOYGDLP-NVXWUHKLSA-N 1 3 305.466 2.731 20 0 DFADHO COc1cc(C[C@@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)ccn1 ZINC000638566374 430377886 /nfs/dbraw/zinc/37/78/86/430377886.db2.gz HCNIYSGIOYGDLP-NVXWUHKLSA-N 1 3 305.466 2.731 20 0 DFADHO COc1cc(C[C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)ccn1 ZINC000638566375 430377946 /nfs/dbraw/zinc/37/79/46/430377946.db2.gz HCNIYSGIOYGDLP-RDJZCZTQSA-N 1 3 305.466 2.731 20 0 DFADHO COc1cc(C[C@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccn1 ZINC000638566375 430377950 /nfs/dbraw/zinc/37/79/50/430377950.db2.gz HCNIYSGIOYGDLP-RDJZCZTQSA-N 1 3 305.466 2.731 20 0 DFADHO COc1cc(C[C@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)ccn1 ZINC000638566375 430377954 /nfs/dbraw/zinc/37/79/54/430377954.db2.gz HCNIYSGIOYGDLP-RDJZCZTQSA-N 1 3 305.466 2.731 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN(CCc1ccccc1F)C1CCCC1 ZINC000568659721 430379379 /nfs/dbraw/zinc/37/93/79/430379379.db2.gz ICYVYKOVUDJDEI-SFHVURJKSA-N 1 3 322.468 2.925 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN(CCc1ccccc1F)C1CCCC1 ZINC000568659721 430379381 /nfs/dbraw/zinc/37/93/81/430379381.db2.gz ICYVYKOVUDJDEI-SFHVURJKSA-N 1 3 322.468 2.925 20 0 DFADHO C[C@H]1C[C@@H]1c1ccc(CN(C)CCC[N@H+](C)CCN(C)C)o1 ZINC000583532756 430402409 /nfs/dbraw/zinc/40/24/09/430402409.db2.gz QJORPKWGNJWRLH-RDJZCZTQSA-N 1 3 307.482 2.718 20 0 DFADHO C[C@H]1C[C@@H]1c1ccc(CN(C)CCC[N@@H+](C)CCN(C)C)o1 ZINC000583532756 430402412 /nfs/dbraw/zinc/40/24/12/430402412.db2.gz QJORPKWGNJWRLH-RDJZCZTQSA-N 1 3 307.482 2.718 20 0 DFADHO C[C@H]1C[C@@H]1c1ccc(CN(C)CCCN(C)CC[NH+](C)C)o1 ZINC000583532756 430402417 /nfs/dbraw/zinc/40/24/17/430402417.db2.gz QJORPKWGNJWRLH-RDJZCZTQSA-N 1 3 307.482 2.718 20 0 DFADHO Cc1cc(NC(=O)C23CCC[NH+](CCC2)C3)ccc1CN(C)C ZINC000636021480 430440006 /nfs/dbraw/zinc/44/00/06/430440006.db2.gz OZQXOOKIYOPEIM-UHFFFAOYSA-N 1 3 315.461 2.871 20 0 DFADHO CCN1CCCC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548064241 430443467 /nfs/dbraw/zinc/44/34/67/430443467.db2.gz DWKSSLKQPSVLMX-KRWDZBQOSA-N 1 3 309.498 2.632 20 0 DFADHO CCN1CCCC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548064241 430443469 /nfs/dbraw/zinc/44/34/69/430443469.db2.gz DWKSSLKQPSVLMX-KRWDZBQOSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@H]([N@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000548113909 430447653 /nfs/dbraw/zinc/44/76/53/430447653.db2.gz OJPJQCYENZDPIN-RDJZCZTQSA-N 1 3 319.493 2.772 20 0 DFADHO C[C@H]([N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000548113909 430447655 /nfs/dbraw/zinc/44/76/55/430447655.db2.gz OJPJQCYENZDPIN-RDJZCZTQSA-N 1 3 319.493 2.772 20 0 DFADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000584047279 430453452 /nfs/dbraw/zinc/45/34/52/430453452.db2.gz FKEZEKGTJNUVLK-ROUUACIJSA-N 1 3 300.402 2.966 20 0 DFADHO C[NH2+]CCCC(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638850389 430454407 /nfs/dbraw/zinc/45/44/07/430454407.db2.gz DZFRYJUJRACAGK-GOSISDBHSA-N 1 3 317.477 2.547 20 0 DFADHO COC[C@H](O)CNCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000569474467 430456348 /nfs/dbraw/zinc/45/63/48/430456348.db2.gz GPHWAKUIOKCCOH-LJQANCHMSA-N 1 3 320.477 2.548 20 0 DFADHO COC[C@H](O)CNCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000569474467 430456352 /nfs/dbraw/zinc/45/63/52/430456352.db2.gz GPHWAKUIOKCCOH-LJQANCHMSA-N 1 3 320.477 2.548 20 0 DFADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000641808934 430479831 /nfs/dbraw/zinc/47/98/31/430479831.db2.gz VCLPGSPQPBLOFO-IAGOWNOFSA-N 1 3 311.429 2.884 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(CC)CCC3)CC2)CC1 ZINC000569138525 430425833 /nfs/dbraw/zinc/42/58/33/430425833.db2.gz RCSFRACKPVTLGH-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO COc1cc(C[C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)ccn1 ZINC000639036905 430497850 /nfs/dbraw/zinc/49/78/50/430497850.db2.gz DLEJZJQCRLBCRJ-HOTGVXAUSA-N 1 3 305.466 2.875 20 0 DFADHO COc1cc(C[C@H](C)NCC[C@H](C)[NH+]2CCCCC2)ccn1 ZINC000639036905 430497855 /nfs/dbraw/zinc/49/78/55/430497855.db2.gz DLEJZJQCRLBCRJ-HOTGVXAUSA-N 1 3 305.466 2.875 20 0 DFADHO CC(C)C1(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CC1 ZINC000639044483 430500967 /nfs/dbraw/zinc/50/09/67/430500967.db2.gz NRTWMZKUYKUDJP-UHFFFAOYSA-N 1 3 307.526 2.772 20 0 DFADHO CCN1CCN(c2cccc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC000639057344 430505191 /nfs/dbraw/zinc/50/51/91/430505191.db2.gz MUJISZUWOINFBB-WMZOPIPTSA-N 1 3 316.493 2.723 20 0 DFADHO CCN1CCN(c2cccc(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000639057344 430505196 /nfs/dbraw/zinc/50/51/96/430505196.db2.gz MUJISZUWOINFBB-WMZOPIPTSA-N 1 3 316.493 2.723 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000570411067 430541058 /nfs/dbraw/zinc/54/10/58/430541058.db2.gz TWAYQFLYGXXVHM-IAGOWNOFSA-N 1 3 306.425 2.733 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000570411067 430541062 /nfs/dbraw/zinc/54/10/62/430541062.db2.gz TWAYQFLYGXXVHM-IAGOWNOFSA-N 1 3 306.425 2.733 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000642630961 430522983 /nfs/dbraw/zinc/52/29/83/430522983.db2.gz SHQHVKPJJNYCOC-SZMVWBNQSA-N 1 3 315.461 2.929 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000642630961 430522988 /nfs/dbraw/zinc/52/29/88/430522988.db2.gz SHQHVKPJJNYCOC-SZMVWBNQSA-N 1 3 315.461 2.929 20 0 DFADHO Cc1cc(Cl)cc(C[NH2+]CCCCN2CCN(C)CC2)c1 ZINC000549709603 430530633 /nfs/dbraw/zinc/53/06/33/430530633.db2.gz JHRHHTNYMUKUFA-UHFFFAOYSA-N 1 3 309.885 2.766 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000550198687 430540076 /nfs/dbraw/zinc/54/00/76/430540076.db2.gz DOLFBOPJVJGUAB-INIZCTEOSA-N 1 3 311.514 2.545 20 0 DFADHO c1ccc([C@H](CN2CCCCC2)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000643451859 430600828 /nfs/dbraw/zinc/60/08/28/430600828.db2.gz MKNGJDCRZMBSKM-MOPGFXCFSA-N 1 3 301.478 2.945 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000639180281 430558849 /nfs/dbraw/zinc/55/88/49/430558849.db2.gz WDOONZKUVDOURU-QRVBRYPASA-N 1 3 302.462 2.660 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000639180281 430558853 /nfs/dbraw/zinc/55/88/53/430558853.db2.gz WDOONZKUVDOURU-QRVBRYPASA-N 1 3 302.462 2.660 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCn3ccnc3)C2)s1 ZINC000570686590 430568354 /nfs/dbraw/zinc/56/83/54/430568354.db2.gz FTOJDPMUXRKSFA-INIZCTEOSA-N 1 3 318.490 2.707 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCn3ccnc3)C2)s1 ZINC000570686590 430568358 /nfs/dbraw/zinc/56/83/58/430568358.db2.gz FTOJDPMUXRKSFA-INIZCTEOSA-N 1 3 318.490 2.707 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000570699098 430569510 /nfs/dbraw/zinc/56/95/10/430569510.db2.gz PLFWFCCCSPLPSM-OWSLCNJRSA-N 1 3 321.509 2.820 20 0 DFADHO CC[C@H](C)[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)OC ZINC000639209965 430571700 /nfs/dbraw/zinc/57/17/00/430571700.db2.gz BVHXGFYEPPWCAX-HVVXOQGOSA-N 1 3 312.498 2.621 20 0 DFADHO CC[C@H](C)[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)OC ZINC000639209965 430571703 /nfs/dbraw/zinc/57/17/03/430571703.db2.gz BVHXGFYEPPWCAX-HVVXOQGOSA-N 1 3 312.498 2.621 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+]Cc3cccc(C4CC4)c3)C2)CC1 ZINC000643289038 430575371 /nfs/dbraw/zinc/57/53/71/430575371.db2.gz JWAHCHHYVYAXTQ-LJQANCHMSA-N 1 3 313.489 2.822 20 0 DFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)[N@@H+]1CCC[C@H](C)C1 ZINC000570811515 430579473 /nfs/dbraw/zinc/57/94/73/430579473.db2.gz FTTJLGDQVREJFA-UONOGXRCSA-N 1 3 316.449 2.532 20 0 DFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)[N@H+]1CCC[C@H](C)C1 ZINC000570811515 430579477 /nfs/dbraw/zinc/57/94/77/430579477.db2.gz FTTJLGDQVREJFA-UONOGXRCSA-N 1 3 316.449 2.532 20 0 DFADHO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C)[C@@H]3CCC[C@@H]31)CCO2 ZINC000552065204 430583815 /nfs/dbraw/zinc/58/38/15/430583815.db2.gz JTEUCXXDNVCZRE-NRSFXHEJSA-N 1 3 316.445 2.981 20 0 DFADHO CC(C)(O)CN1CCC([NH2+]Cc2cnccc2C(C)(C)C)CC1 ZINC000639263544 430591241 /nfs/dbraw/zinc/59/12/41/430591241.db2.gz WDJUWKCEJYCNRJ-UHFFFAOYSA-N 1 3 319.493 2.704 20 0 DFADHO COc1cccc2c1OC[C@H]([NH2+][C@H]1C[C@H](N)c3ccccc31)C2 ZINC000643451953 430600622 /nfs/dbraw/zinc/60/06/22/430600622.db2.gz CVVWAMSBXZUXSA-COXVUDFISA-N 1 3 310.397 2.733 20 0 DFADHO C[C@@H](C(=O)Nc1ccccc1CN(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000554727476 430651402 /nfs/dbraw/zinc/65/14/02/430651402.db2.gz DAZFLODWGIGSRG-ZNMIVQPWSA-N 1 3 303.450 2.948 20 0 DFADHO C[C@@H](C(=O)Nc1ccccc1CN(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000554727476 430651405 /nfs/dbraw/zinc/65/14/05/430651405.db2.gz DAZFLODWGIGSRG-ZNMIVQPWSA-N 1 3 303.450 2.948 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456667 430602794 /nfs/dbraw/zinc/60/27/94/430602794.db2.gz VTTGOPBGSRTEAA-NILFDRSVSA-N 1 3 316.367 2.590 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1ccc(C(F)(F)F)cc1 ZINC000643456667 430602796 /nfs/dbraw/zinc/60/27/96/430602796.db2.gz VTTGOPBGSRTEAA-NILFDRSVSA-N 1 3 316.367 2.590 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCCNC1 ZINC000643453221 430603005 /nfs/dbraw/zinc/60/30/05/430603005.db2.gz POERXORAFSWRDQ-KKUMJFAQSA-N 1 3 323.431 2.769 20 0 DFADHO c1ccc(CCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000643458265 430603593 /nfs/dbraw/zinc/60/35/93/430603593.db2.gz DSZBKDRRZAWDAH-CEXWTWQISA-N 1 3 302.462 2.756 20 0 DFADHO FC(F)(F)c1cnc(NCC[NH2+]C2CCNCC2)c(Cl)c1 ZINC000643461053 430604612 /nfs/dbraw/zinc/60/46/12/430604612.db2.gz DTXQRPLNCDPDDD-UHFFFAOYSA-N 1 3 322.762 2.507 20 0 DFADHO c1ccc(CCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643458274 430604747 /nfs/dbraw/zinc/60/47/47/430604747.db2.gz DSZBKDRRZAWDAH-IPMKNSEASA-N 1 3 302.462 2.756 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462721 430604760 /nfs/dbraw/zinc/60/47/60/430604760.db2.gz CQLXXVPSLZQNFY-JGGQBBKZSA-N 1 3 309.404 2.651 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462721 430604763 /nfs/dbraw/zinc/60/47/63/430604763.db2.gz CQLXXVPSLZQNFY-JGGQBBKZSA-N 1 3 309.404 2.651 20 0 DFADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCCOCC1CCC1 ZINC000643481267 430606967 /nfs/dbraw/zinc/60/69/67/430606967.db2.gz BPCZQYODVTYYLY-HKUYNNGSSA-N 1 3 316.445 2.649 20 0 DFADHO C[C@H]([NH2+]CC1(N)CCCCC1)c1cccc(N2CCOCC2)c1 ZINC000643496519 430609090 /nfs/dbraw/zinc/60/90/90/430609090.db2.gz SYXCOJIYJQCMHD-INIZCTEOSA-N 1 3 317.477 2.835 20 0 DFADHO Fc1ccc(N2CCC([NH2+][C@H]3CCCNCC3)CC2)c(F)c1 ZINC000643522567 430612931 /nfs/dbraw/zinc/61/29/31/430612931.db2.gz PMAXGEIWUVGMHU-AWEZNQCLSA-N 1 3 309.404 2.665 20 0 DFADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ncc(-c2ccccc2)n1C ZINC000643536727 430614178 /nfs/dbraw/zinc/61/41/78/430614178.db2.gz VDBDXKSDICJQQK-WMLDXEAASA-N 1 3 310.445 2.880 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000643548564 430615628 /nfs/dbraw/zinc/61/56/28/430615628.db2.gz RDEMOTSQEGDSOF-OAGGEKHMSA-N 1 3 302.466 2.711 20 0 DFADHO CO[C@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000639359406 430620107 /nfs/dbraw/zinc/62/01/07/430620107.db2.gz MGFABKKLWUWVGO-AYOQOUSVSA-N 1 3 302.462 2.769 20 0 DFADHO CO[C@H](CNC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000639359406 430620109 /nfs/dbraw/zinc/62/01/09/430620109.db2.gz MGFABKKLWUWVGO-AYOQOUSVSA-N 1 3 302.462 2.769 20 0 DFADHO CO[C@H](CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000639359406 430620111 /nfs/dbraw/zinc/62/01/11/430620111.db2.gz MGFABKKLWUWVGO-AYOQOUSVSA-N 1 3 302.462 2.769 20 0 DFADHO c1cc(N2CCC([NH2+][C@H](C3CCC3)[C@H]3CCCO3)CC2)ccn1 ZINC000639390066 430632575 /nfs/dbraw/zinc/63/25/75/430632575.db2.gz SUPIWGWKGGPFPK-RTBURBONSA-N 1 3 315.461 2.988 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639454893 430643902 /nfs/dbraw/zinc/64/39/02/430643902.db2.gz JRAUKIFZXTYFMO-GOSISDBHSA-N 1 3 321.509 2.584 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639454893 430643904 /nfs/dbraw/zinc/64/39/04/430643904.db2.gz JRAUKIFZXTYFMO-GOSISDBHSA-N 1 3 321.509 2.584 20 0 DFADHO O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC/C=C/c2ccc(Cl)cc2)C1 ZINC000643960276 430645049 /nfs/dbraw/zinc/64/50/49/430645049.db2.gz QWHHHPLXGLJRHX-CSOOCESISA-N 1 3 320.864 2.931 20 0 DFADHO O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2NC/C=C/c2ccc(Cl)cc2)C1 ZINC000643960276 430645054 /nfs/dbraw/zinc/64/50/54/430645054.db2.gz QWHHHPLXGLJRHX-CSOOCESISA-N 1 3 320.864 2.931 20 0 DFADHO O[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)CC(F)(F)F ZINC000571994217 430665302 /nfs/dbraw/zinc/66/53/02/430665302.db2.gz MUKUSPUHRBIYTQ-CQSZACIVSA-N 1 3 308.388 2.686 20 0 DFADHO O[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)CC(F)(F)F ZINC000571994217 430665306 /nfs/dbraw/zinc/66/53/06/430665306.db2.gz MUKUSPUHRBIYTQ-CQSZACIVSA-N 1 3 308.388 2.686 20 0 DFADHO Cc1ccccc1[C@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000572220912 430677022 /nfs/dbraw/zinc/67/70/22/430677022.db2.gz SQKXZJABMUZLBH-IBGZPJMESA-N 1 3 311.429 2.682 20 0 DFADHO COc1cccc2c1CC[C@H](N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000365251488 278035901 /nfs/dbraw/zinc/03/59/01/278035901.db2.gz XFUWTTLTOAOCMO-YESZJQIVSA-N 1 3 300.446 2.769 20 0 DFADHO COc1cccc2c1CC[C@H](N[C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000365251488 278035903 /nfs/dbraw/zinc/03/59/03/278035903.db2.gz XFUWTTLTOAOCMO-YESZJQIVSA-N 1 3 300.446 2.769 20 0 DFADHO COc1cccc2c1CC[C@H]([NH2+][C@H]1CCN3CCC[C@@H]3C1)C2 ZINC000365251488 278035904 /nfs/dbraw/zinc/03/59/04/278035904.db2.gz XFUWTTLTOAOCMO-YESZJQIVSA-N 1 3 300.446 2.769 20 0 DFADHO COC[C@@H](C)C[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000556604708 430687489 /nfs/dbraw/zinc/68/74/89/430687489.db2.gz LJLGHEKLADUDIL-HNNXBMFYSA-N 1 3 306.450 2.532 20 0 DFADHO C[C@@H]1CC[N@H+](CC[C@H]2CCCN2C)C[C@H]1C(=O)OC(C)(C)C ZINC000572479853 430688486 /nfs/dbraw/zinc/68/84/86/430688486.db2.gz NDYZNWMMPWVPRB-BZUAXINKSA-N 1 3 310.482 2.770 20 0 DFADHO C[C@@H]1CC[N@@H+](CC[C@H]2CCCN2C)C[C@H]1C(=O)OC(C)(C)C ZINC000572479853 430688488 /nfs/dbraw/zinc/68/84/88/430688488.db2.gz NDYZNWMMPWVPRB-BZUAXINKSA-N 1 3 310.482 2.770 20 0 DFADHO CC1(C)CC([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC(C)(C)N1 ZINC000314766972 278191125 /nfs/dbraw/zinc/19/11/25/278191125.db2.gz JBVUPNVXHJCDIM-JQWIXIFHSA-N 1 3 308.388 2.995 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292367129 278272377 /nfs/dbraw/zinc/27/23/77/278272377.db2.gz YZINGKAUQPOXHP-QGTPRVQTSA-N 1 3 317.477 2.912 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)CN1CCCCC1 ZINC000373288055 278282937 /nfs/dbraw/zinc/28/29/37/278282937.db2.gz LFJCELGBZMAFIE-HNNXBMFYSA-N 1 3 322.522 2.824 20 0 DFADHO CC(C)(C)C1CCC(C[N@@H+]2CC[C@H](N3CCNCC3)C2)CC1 ZINC000262488381 278300658 /nfs/dbraw/zinc/30/06/58/278300658.db2.gz KSPIZLDJVAGCIC-ABHNRTSZSA-N 1 3 307.526 2.818 20 0 DFADHO CC(C)(C)C1CCC(C[N@H+]2CC[C@H](N3CCNCC3)C2)CC1 ZINC000262488381 278300660 /nfs/dbraw/zinc/30/06/60/278300660.db2.gz KSPIZLDJVAGCIC-ABHNRTSZSA-N 1 3 307.526 2.818 20 0 DFADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000319129108 278339949 /nfs/dbraw/zinc/33/99/49/278339949.db2.gz RJGGBBGTNAXYLW-CQSZACIVSA-N 1 3 300.450 2.956 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCNC1CC[NH+](C(C)C)CC1 ZINC000644513459 430739864 /nfs/dbraw/zinc/73/98/64/430739864.db2.gz JRIPTACBQHLTSP-UHFFFAOYSA-N 1 3 321.440 2.925 20 0 DFADHO C[NH+]1CCC(NCc2cccc(COC[C@H]3CCCO3)c2)CC1 ZINC000657803799 430741365 /nfs/dbraw/zinc/74/13/65/430741365.db2.gz SUOGNNCCKRPARE-LJQANCHMSA-N 1 3 318.461 2.566 20 0 DFADHO CC[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccncc1 ZINC000651228801 430743028 /nfs/dbraw/zinc/74/30/28/430743028.db2.gz CYTNQVBVBKZLSH-MSOLQXFVSA-N 1 3 303.450 2.766 20 0 DFADHO c1cc(CNCC2CC[NH+](CC3CC3)CC2)c2c(c1)OCCO2 ZINC000657813072 430743839 /nfs/dbraw/zinc/74/38/39/430743839.db2.gz ZIRLQIJAVUSKDZ-UHFFFAOYSA-N 1 3 316.445 2.669 20 0 DFADHO CC(C)(C)[C@@H](O)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000644532468 430746948 /nfs/dbraw/zinc/74/69/48/430746948.db2.gz SJSWQLNJJZXGAD-INIZCTEOSA-N 1 3 310.507 2.957 20 0 DFADHO CN(C)CCOc1cccc(C[NH2+]C2CC(CF)(CF)C2)c1 ZINC000657840823 430749811 /nfs/dbraw/zinc/74/98/11/430749811.db2.gz KRVPHAJZAJRZHL-UHFFFAOYSA-N 1 3 312.404 2.804 20 0 DFADHO COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000657869935 430756797 /nfs/dbraw/zinc/75/67/97/430756797.db2.gz AOQSHYLCMDDCLP-ROUUACIJSA-N 1 3 312.498 2.528 20 0 DFADHO COC[C@H](CC1CCOCC1)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000657869935 430756801 /nfs/dbraw/zinc/75/68/01/430756801.db2.gz AOQSHYLCMDDCLP-ROUUACIJSA-N 1 3 312.498 2.528 20 0 DFADHO COC[C@H](CC1CCOCC1)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000657869935 430756808 /nfs/dbraw/zinc/75/68/08/430756808.db2.gz AOQSHYLCMDDCLP-ROUUACIJSA-N 1 3 312.498 2.528 20 0 DFADHO c1cc2n(n1)CCC[C@H]2[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000657910995 430765732 /nfs/dbraw/zinc/76/57/32/430765732.db2.gz YUXLHTSTLAAJNF-QGZVFWFLSA-N 1 3 311.433 2.619 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)ccn1 ZINC000657935667 430771696 /nfs/dbraw/zinc/77/16/96/430771696.db2.gz NLPAQYJBEYVKMM-RYRKJORJSA-N 1 3 317.477 2.936 20 0 DFADHO C[C@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C(C)(C)C(F)F ZINC000657937300 430773375 /nfs/dbraw/zinc/77/33/75/430773375.db2.gz UHZOQCVESKTHMM-LBPRGKRZSA-N 1 3 315.408 2.791 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648416635 430778789 /nfs/dbraw/zinc/77/87/89/430778789.db2.gz RBMKEXYUGGCNCZ-FQEVSTJZSA-N 1 3 315.505 2.550 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+]C[C@@H](O)C(C)(C)C)cc2)CC1 ZINC000644641937 430779489 /nfs/dbraw/zinc/77/94/89/430779489.db2.gz AOSILJMFTCYLHO-GOSISDBHSA-N 1 3 320.477 2.656 20 0 DFADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(Cl)cn1 ZINC000658106589 430813788 /nfs/dbraw/zinc/81/37/88/430813788.db2.gz JBBCZEHDWDSIQJ-UONOGXRCSA-N 1 3 312.889 2.658 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000658110142 430814455 /nfs/dbraw/zinc/81/44/55/430814455.db2.gz VURXKUVTUUBLRU-KBPBESRZSA-N 1 3 313.436 2.887 20 0 DFADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000658109150 430815509 /nfs/dbraw/zinc/81/55/09/430815509.db2.gz REICFBJXFYMTBS-UONOGXRCSA-N 1 3 313.436 2.887 20 0 DFADHO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658135959 430821091 /nfs/dbraw/zinc/82/10/91/430821091.db2.gz FXTBNZGOGBGGMH-HNAYVOBHSA-N 1 3 302.462 2.922 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCCSCC3)cc2)C1 ZINC000658136329 430821111 /nfs/dbraw/zinc/82/11/11/430821111.db2.gz HVCJOZWDBMQEPW-ZWKOTPCHSA-N 1 3 320.502 2.629 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2)C1 ZINC000658139313 430822558 /nfs/dbraw/zinc/82/25/58/430822558.db2.gz QNARDTOKSQPNMJ-ZWKOTPCHSA-N 1 3 300.446 2.676 20 0 DFADHO CC(C)[C@@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C1CC1 ZINC000658139901 430823473 /nfs/dbraw/zinc/82/34/73/430823473.db2.gz NZGSJBWPMHILRD-RBUKOAKNSA-N 1 3 302.462 2.777 20 0 DFADHO Cc1ccc(CC[NH2+]Cc2ccc(OCCN(C)C)cc2)nc1 ZINC000651601347 430828716 /nfs/dbraw/zinc/82/87/16/430828716.db2.gz WQKJZJOKVBOLDU-UHFFFAOYSA-N 1 3 313.445 2.663 20 0 DFADHO CN1C[C@@H](C[NH2+][C@H]2CCCn3nccc32)[C@H](c2ccccc2)C1 ZINC000658041810 430791823 /nfs/dbraw/zinc/79/18/23/430791823.db2.gz IRVMXVZZMCLNMB-SQNIBIBYSA-N 1 3 310.445 2.653 20 0 DFADHO Cc1ncc([C@H](C)NCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000658066960 430798108 /nfs/dbraw/zinc/79/81/08/430798108.db2.gz HULKEZKAXLICTC-ZDUSSCGKSA-N 1 3 323.506 2.993 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2C[C@H](O)C23CCC3)CC1 ZINC000658252062 430853301 /nfs/dbraw/zinc/85/33/01/430853301.db2.gz IJDCJZVPJIKBFZ-UBDQQSCGSA-N 1 3 306.494 2.923 20 0 DFADHO CC[NH+]1CCC(CNCc2cc(F)c(OC)cc2OC)CC1 ZINC000651705193 430854463 /nfs/dbraw/zinc/85/44/63/430854463.db2.gz KXHMGTTXLDUELL-UHFFFAOYSA-N 1 3 310.413 2.664 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3C[C@@H](O)C34CCC4)CC2)C1 ZINC000658257517 430855095 /nfs/dbraw/zinc/85/50/95/430855095.db2.gz YSXMZWPSGMBOCX-LAVFITLUSA-N 1 3 306.494 2.923 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3C[C@@H](O)C34CCC4)CC2)C1 ZINC000658257517 430855102 /nfs/dbraw/zinc/85/51/02/430855102.db2.gz YSXMZWPSGMBOCX-LAVFITLUSA-N 1 3 306.494 2.923 20 0 DFADHO Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000658266228 430856618 /nfs/dbraw/zinc/85/66/18/430856618.db2.gz GMSYVRJHVSRYRK-BHYGNILZSA-N 1 3 302.466 2.650 20 0 DFADHO CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)CC(C)(C)CO ZINC000648690236 430858600 /nfs/dbraw/zinc/85/86/00/430858600.db2.gz TXEOVBCXKKRCSF-UHFFFAOYSA-N 1 3 320.477 2.612 20 0 DFADHO C[C@H]([NH2+]CC1CCC(O)CC1)c1cccc(OCCN(C)C)c1 ZINC000658282649 430860197 /nfs/dbraw/zinc/86/01/97/430860197.db2.gz BTSVQMPICLRATP-HJOIGYKYSA-N 1 3 320.477 2.829 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000665240635 430865549 /nfs/dbraw/zinc/86/55/49/430865549.db2.gz PMNUWMQYJVLLJB-RTBURBONSA-N 1 3 316.493 2.543 20 0 DFADHO COCCC[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253588 430869900 /nfs/dbraw/zinc/86/99/00/430869900.db2.gz WRBSZVNOEVCSDL-SUYBPPKGSA-N 1 3 312.404 2.815 20 0 DFADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CCOC[C@@H]2C)cc1 ZINC000665254996 430870411 /nfs/dbraw/zinc/87/04/11/430870411.db2.gz GCFGMIATQSQTFB-FZDIXFNVSA-N 1 3 318.461 2.545 20 0 DFADHO C[C@@H]1CCC[C@H](CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)O1 ZINC000665264851 430874899 /nfs/dbraw/zinc/87/48/99/430874899.db2.gz JLEWLQKAIMSIJD-LFEHRJTNSA-N 1 3 316.445 2.790 20 0 DFADHO Brc1ccc2c(c1)CC[C@@H]([NH2+]CC13CC(C1)CN3)C2 ZINC000665276367 430878538 /nfs/dbraw/zinc/87/85/38/430878538.db2.gz AZDUWXUUPQDURS-YWCUFVOSSA-N 1 3 321.262 2.648 20 0 DFADHO CNC(=O)CC1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CCCCC1 ZINC000665275847 430879771 /nfs/dbraw/zinc/87/97/71/430879771.db2.gz TXDPVTHHOZJOIE-IRXDYDNUSA-N 1 3 315.461 2.807 20 0 DFADHO OCC1CC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000658355727 430884720 /nfs/dbraw/zinc/88/47/20/430884720.db2.gz JGYNCLVJVAUWGX-KPZODNFCSA-N 1 3 314.473 2.648 20 0 DFADHO CC(C)C(=O)N1CCC(N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000262298575 278670007 /nfs/dbraw/zinc/67/00/07/278670007.db2.gz OICCCLVAQOYVPE-RDJZCZTQSA-N 1 3 309.498 2.534 20 0 DFADHO CO[C@@H]([C@H](C)[NH2+]Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000648797002 430896759 /nfs/dbraw/zinc/89/67/59/430896759.db2.gz CGVKBEOINOESOW-KSSFIOAISA-N 1 3 306.450 2.530 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]CC(C)(C)C(C)(C)O)cc1 ZINC000648832561 430906664 /nfs/dbraw/zinc/90/66/64/430906664.db2.gz BAXQIRWJQMODIJ-UHFFFAOYSA-N 1 3 308.466 2.514 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659024273 430944817 /nfs/dbraw/zinc/94/48/17/430944817.db2.gz ZGKXWOTXQAFURB-AWEZNQCLSA-N 1 3 318.465 2.696 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659024273 430944822 /nfs/dbraw/zinc/94/48/22/430944822.db2.gz ZGKXWOTXQAFURB-AWEZNQCLSA-N 1 3 318.465 2.696 20 0 DFADHO O[C@H]1CCN(C2CC[NH+](CC/C=C/c3ccccc3)CC2)C1 ZINC000662150305 430980601 /nfs/dbraw/zinc/98/06/01/430980601.db2.gz USILXXJXYCQFKP-AMGQUURNSA-N 1 3 300.446 2.621 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCCC34CCCC4)C2)CC1 ZINC000645408942 430993969 /nfs/dbraw/zinc/99/39/69/430993969.db2.gz MDGBTQPZLZLJJK-AEFFLSMTSA-N 1 3 305.510 2.857 20 0 DFADHO C[NH+](C)CCOc1ccc(CN2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000652062562 430951098 /nfs/dbraw/zinc/95/10/98/430951098.db2.gz OFCSBOLJCUVMCR-MRXNPFEDSA-N 1 3 310.388 2.858 20 0 DFADHO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000652074003 430954909 /nfs/dbraw/zinc/95/49/09/430954909.db2.gz XJTUWQKOFILBHL-INIZCTEOSA-N 1 3 317.477 2.615 20 0 DFADHO Cn1c(=O)ccc2c1CCC[C@@H]2NC1CC[NH+](C(C)(C)C)CC1 ZINC000652074003 430954911 /nfs/dbraw/zinc/95/49/11/430954911.db2.gz XJTUWQKOFILBHL-INIZCTEOSA-N 1 3 317.477 2.615 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)c1ccccc1 ZINC000662391645 431069176 /nfs/dbraw/zinc/06/91/76/431069176.db2.gz DSXFRYDRIZMRJS-IRXDYDNUSA-N 1 3 317.477 2.574 20 0 DFADHO Cc1cc(C)n([C@H]2CCCN(Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000662263201 431021327 /nfs/dbraw/zinc/02/13/27/431021327.db2.gz KXZZIYAVECJPIT-IBGZPJMESA-N 1 3 324.472 2.983 20 0 DFADHO COc1cccc(SCCN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000662265188 431022090 /nfs/dbraw/zinc/02/20/90/431022090.db2.gz GIEXBMFOXASPQL-IAOVAPTHSA-N 1 3 306.475 2.847 20 0 DFADHO CNC[C@@](C)(O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000652336862 431025903 /nfs/dbraw/zinc/02/59/03/431025903.db2.gz IJRLXBGAEFAUOY-VQTJNVASSA-N 1 3 310.441 2.605 20 0 DFADHO CNC[C@@](C)(O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000652336862 431025908 /nfs/dbraw/zinc/02/59/08/431025908.db2.gz IJRLXBGAEFAUOY-VQTJNVASSA-N 1 3 310.441 2.605 20 0 DFADHO [NH3+]C[C@@H]1CN(CCSc2ccc(F)cc2)CC12CCOCC2 ZINC000662272048 431027515 /nfs/dbraw/zinc/02/75/15/431027515.db2.gz CACFJGAWJYEWFS-CQSZACIVSA-N 1 3 324.465 2.605 20 0 DFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](OC(C)C)C2)cc1 ZINC000652353196 431030241 /nfs/dbraw/zinc/03/02/41/431030241.db2.gz OXNIYUXSERISFD-FUHWJXTLSA-N 1 3 306.450 2.627 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](OC(C)C)C2)cc1 ZINC000652353196 431030246 /nfs/dbraw/zinc/03/02/46/431030246.db2.gz OXNIYUXSERISFD-FUHWJXTLSA-N 1 3 306.450 2.627 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](OC(C)C)C2)cc1 ZINC000652353196 431030250 /nfs/dbraw/zinc/03/02/50/431030250.db2.gz OXNIYUXSERISFD-FUHWJXTLSA-N 1 3 306.450 2.627 20 0 DFADHO CC1(C)CNCC[C@H]1[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662276868 431030450 /nfs/dbraw/zinc/03/04/50/431030450.db2.gz MENVPCXPVLDABY-CQSZACIVSA-N 1 3 312.360 2.528 20 0 DFADHO CC1(C)C[NH2+]CC[C@H]1NCCc1ccc2c(c1)OC(F)(F)O2 ZINC000662276868 431030457 /nfs/dbraw/zinc/03/04/57/431030457.db2.gz MENVPCXPVLDABY-CQSZACIVSA-N 1 3 312.360 2.528 20 0 DFADHO COc1ccc(COCCN2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000652354829 431030519 /nfs/dbraw/zinc/03/05/19/431030519.db2.gz JMRIXBMAMBBRLN-CRAIPNDOSA-N 1 3 306.450 2.661 20 0 DFADHO c1ccc(CCC[C@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662283565 431032858 /nfs/dbraw/zinc/03/28/58/431032858.db2.gz AONOQTKDXBDXPW-OALUTQOASA-N 1 3 314.473 2.995 20 0 DFADHO c1ccc(CCC[C@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662283565 431032861 /nfs/dbraw/zinc/03/28/61/431032861.db2.gz AONOQTKDXBDXPW-OALUTQOASA-N 1 3 314.473 2.995 20 0 DFADHO C[C@@H](C(=O)NC1CCCCC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290638 431036441 /nfs/dbraw/zinc/03/64/41/431036441.db2.gz HDAQSOLDMPUCHD-DOTOQJQBSA-N 1 3 321.509 2.535 20 0 DFADHO CC(C)C[C@@H](C)N(C)C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297800 431037140 /nfs/dbraw/zinc/03/71/40/431037140.db2.gz RYJBCORMPWHXJW-SJLPKXTDSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C(=O)Nc1ccccc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295785 431037354 /nfs/dbraw/zinc/03/73/54/431037354.db2.gz UDSPATCBLKRBID-RDJZCZTQSA-N 1 3 315.461 2.725 20 0 DFADHO CC(C)C[C@@H](C)N(C)C(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315748 431044018 /nfs/dbraw/zinc/04/40/18/431044018.db2.gz SQOXCBANQUQIFJ-BRWVUGGUSA-N 1 3 311.514 2.719 20 0 DFADHO C[C@@H]1CCC[C@@H](NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])[C@@H]1C ZINC000662313703 431044944 /nfs/dbraw/zinc/04/49/44/431044944.db2.gz XLRGHKPQPWXCKV-DUQPFJRNSA-N 1 3 323.525 2.767 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662352419 431055626 /nfs/dbraw/zinc/05/56/26/431055626.db2.gz VBRHFPCARVOMLH-CRAIPNDOSA-N 1 3 315.461 2.602 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662352419 431055627 /nfs/dbraw/zinc/05/56/27/431055627.db2.gz VBRHFPCARVOMLH-CRAIPNDOSA-N 1 3 315.461 2.602 20 0 DFADHO CN(CCN1CCC[C@@H]1[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000649296963 431060912 /nfs/dbraw/zinc/06/09/12/431060912.db2.gz VIHGIIDKFIERQZ-RTBURBONSA-N 1 3 301.478 2.677 20 0 DFADHO CN(CCN1CCC[C@@H]1[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000649296963 431060916 /nfs/dbraw/zinc/06/09/16/431060916.db2.gz VIHGIIDKFIERQZ-RTBURBONSA-N 1 3 301.478 2.677 20 0 DFADHO CN(CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C)Cc1ccccc1 ZINC000649296963 431060920 /nfs/dbraw/zinc/06/09/20/431060920.db2.gz VIHGIIDKFIERQZ-RTBURBONSA-N 1 3 301.478 2.677 20 0 DFADHO CN(CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C)Cc1ccccc1 ZINC000649296963 431060923 /nfs/dbraw/zinc/06/09/23/431060923.db2.gz VIHGIIDKFIERQZ-RTBURBONSA-N 1 3 301.478 2.677 20 0 DFADHO C[NH+](C)CC[C@H](NC(=O)C[C@H]1NCc2ccccc21)C(C)(C)C ZINC000659293675 431014107 /nfs/dbraw/zinc/01/41/07/431014107.db2.gz XKZIOXDBLYSFGM-SJORKVTESA-N 1 3 317.477 2.704 20 0 DFADHO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1C ZINC000662253832 431014596 /nfs/dbraw/zinc/01/45/96/431014596.db2.gz WZIZKQMHEJCNQF-ROUUACIJSA-N 1 3 300.446 2.961 20 0 DFADHO Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1C ZINC000662253832 431014602 /nfs/dbraw/zinc/01/46/02/431014602.db2.gz WZIZKQMHEJCNQF-ROUUACIJSA-N 1 3 300.446 2.961 20 0 DFADHO CC[N@H+](C[C@H]1CCC2(CNC2)O1)[C@H](C)c1cccc(OC)c1 ZINC000662252136 431015383 /nfs/dbraw/zinc/01/53/83/431015383.db2.gz KJEXOBLPSDWTMM-RHSMWYFYSA-N 1 3 304.434 2.599 20 0 DFADHO CC[N@@H+](C[C@H]1CCC2(CNC2)O1)[C@H](C)c1cccc(OC)c1 ZINC000662252136 431015385 /nfs/dbraw/zinc/01/53/85/431015385.db2.gz KJEXOBLPSDWTMM-RHSMWYFYSA-N 1 3 304.434 2.599 20 0 DFADHO Clc1ccccc1[C@@H]1CCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250276 431015454 /nfs/dbraw/zinc/01/54/54/431015454.db2.gz CZCORYSBBLBCOD-BBRMVZONSA-N 1 3 306.837 2.998 20 0 DFADHO C[N@H+](CCc1cccc2ccccc21)C[C@@H]1CCC2(CNC2)O1 ZINC000662252943 431015654 /nfs/dbraw/zinc/01/56/54/431015654.db2.gz DUWKVTGQCSGBGK-SFHVURJKSA-N 1 3 310.441 2.835 20 0 DFADHO C[N@@H+](CCc1cccc2ccccc21)C[C@@H]1CCC2(CNC2)O1 ZINC000662252943 431015659 /nfs/dbraw/zinc/01/56/59/431015659.db2.gz DUWKVTGQCSGBGK-SFHVURJKSA-N 1 3 310.441 2.835 20 0 DFADHO CCC[N@H+](C[C@H]1CCC2(CNC2)O1)[C@H]1CCc2ccccc21 ZINC000662252260 431016509 /nfs/dbraw/zinc/01/65/09/431016509.db2.gz NFVSEMOGRPQWBL-AEFFLSMTSA-N 1 3 300.446 2.907 20 0 DFADHO CCC[N@@H+](C[C@H]1CCC2(CNC2)O1)[C@H]1CCc2ccccc21 ZINC000662252260 431016513 /nfs/dbraw/zinc/01/65/13/431016513.db2.gz NFVSEMOGRPQWBL-AEFFLSMTSA-N 1 3 300.446 2.907 20 0 DFADHO c1ccc(CC[C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662251108 431017289 /nfs/dbraw/zinc/01/72/89/431017289.db2.gz YWUUMXVSCNPRPH-ROUUACIJSA-N 1 3 300.446 2.605 20 0 DFADHO c1ccc(CC[C@@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662251108 431017291 /nfs/dbraw/zinc/01/72/91/431017291.db2.gz YWUUMXVSCNPRPH-ROUUACIJSA-N 1 3 300.446 2.605 20 0 DFADHO C[N@H+](CCCOc1cccc(Cl)c1)C[C@H]1CCC2(CNC2)O1 ZINC000662252002 431017346 /nfs/dbraw/zinc/01/73/46/431017346.db2.gz HRCDNFCNAOUNPV-MRXNPFEDSA-N 1 3 324.852 2.562 20 0 DFADHO C[N@@H+](CCCOc1cccc(Cl)c1)C[C@H]1CCC2(CNC2)O1 ZINC000662252002 431017347 /nfs/dbraw/zinc/01/73/47/431017347.db2.gz HRCDNFCNAOUNPV-MRXNPFEDSA-N 1 3 324.852 2.562 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662258043 431018855 /nfs/dbraw/zinc/01/88/55/431018855.db2.gz WHKYVLRIFQGJJM-BRWVUGGUSA-N 1 3 300.446 2.694 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662258043 431018862 /nfs/dbraw/zinc/01/88/62/431018862.db2.gz WHKYVLRIFQGJJM-BRWVUGGUSA-N 1 3 300.446 2.694 20 0 DFADHO C[C@@H]1CC[N@H+](C[C@H]2CCC3(CNC3)O2)[C@H]1c1cccc(F)c1 ZINC000662256238 431019423 /nfs/dbraw/zinc/01/94/23/431019423.db2.gz HQQSCZHHDJIFFB-KBRIMQKVSA-N 1 3 304.409 2.730 20 0 DFADHO C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CNC3)O2)[C@H]1c1cccc(F)c1 ZINC000662256238 431019429 /nfs/dbraw/zinc/01/94/29/431019429.db2.gz HQQSCZHHDJIFFB-KBRIMQKVSA-N 1 3 304.409 2.730 20 0 DFADHO CCC[C@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)N(C)C ZINC000367183549 278918290 /nfs/dbraw/zinc/91/82/90/278918290.db2.gz GRMMBJIZJAUOBO-GOSISDBHSA-N 1 3 323.525 2.687 20 0 DFADHO O[C@@H](CN[C@H]1CCc2cccc(Cl)c2C1)C[NH+]1CCCCC1 ZINC000666085004 431110858 /nfs/dbraw/zinc/11/08/58/431110858.db2.gz PYGWVCYVCBLECH-HOTGVXAUSA-N 1 3 322.880 2.634 20 0 DFADHO C[C@@H]1CCC[C@](CNC(=O)c2cccc3c2CNC3)([NH+](C)C)C1 ZINC000662400759 431072154 /nfs/dbraw/zinc/07/21/54/431072154.db2.gz FLRABBJVOTUSPB-KUHUBIRLSA-N 1 3 315.461 2.530 20 0 DFADHO CCN(C(=O)C[NH2+]C(C)C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000662503818 431099586 /nfs/dbraw/zinc/09/95/86/431099586.db2.gz XWWBWKUZLATXOL-AEFFLSMTSA-N 1 3 317.477 2.668 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H](C)SC2)C[C@@H](C)O1 ZINC000655729139 431104252 /nfs/dbraw/zinc/10/42/52/431104252.db2.gz GQQVRQYPRCYLFF-KLHDSHLOSA-N 1 3 300.512 2.750 20 0 DFADHO CC(C)[N@@H+]1CCCC[C@H]1CN(C)C[C@H]1CCc2nccn2C1 ZINC000649460671 431107466 /nfs/dbraw/zinc/10/74/66/431107466.db2.gz KBLODHVTGIUNID-SJORKVTESA-N 1 3 304.482 2.640 20 0 DFADHO CC(C)[N@H+]1CCCC[C@H]1CN(C)C[C@H]1CCc2nccn2C1 ZINC000649460671 431107469 /nfs/dbraw/zinc/10/74/69/431107469.db2.gz KBLODHVTGIUNID-SJORKVTESA-N 1 3 304.482 2.640 20 0 DFADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H](N)c1ccccc1 ZINC000662594081 431129012 /nfs/dbraw/zinc/12/90/12/431129012.db2.gz RJIMPXPNYQARDD-UXLLHSPISA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)[C@H](N)c1ccccc1 ZINC000662594081 431129018 /nfs/dbraw/zinc/12/90/18/431129018.db2.gz RJIMPXPNYQARDD-UXLLHSPISA-N 1 3 317.477 2.559 20 0 DFADHO CC[N@H+](CCCNC(=O)CC1CCN(C)CC1)C1CCCCC1 ZINC000652756483 431128263 /nfs/dbraw/zinc/12/82/63/431128263.db2.gz INJNXAZJAXKDIN-UHFFFAOYSA-N 1 3 323.525 2.879 20 0 DFADHO CC[N@@H+](CCCNC(=O)CC1CCN(C)CC1)C1CCCCC1 ZINC000652756483 431128269 /nfs/dbraw/zinc/12/82/69/431128269.db2.gz INJNXAZJAXKDIN-UHFFFAOYSA-N 1 3 323.525 2.879 20 0 DFADHO FC1(F)C[C@H]1OCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000659837164 431134179 /nfs/dbraw/zinc/13/41/79/431134179.db2.gz DCFZZMGVHQLVPO-MRXNPFEDSA-N 1 3 316.436 2.999 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000662622168 431137483 /nfs/dbraw/zinc/13/74/83/431137483.db2.gz PULMNXGDRJAWLY-JKSUJKDBSA-N 1 3 317.477 2.702 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000662622168 431137490 /nfs/dbraw/zinc/13/74/90/431137490.db2.gz PULMNXGDRJAWLY-JKSUJKDBSA-N 1 3 317.477 2.702 20 0 DFADHO CC[N@H+](CCNC1CCN(CCC(F)(F)F)CC1)C(C)C ZINC000358656437 279205378 /nfs/dbraw/zinc/20/53/78/279205378.db2.gz AZNZWXXCHCDUPS-UHFFFAOYSA-N 1 3 309.420 2.723 20 0 DFADHO CC[N@@H+](CCNC1CCN(CCC(F)(F)F)CC1)C(C)C ZINC000358656437 279205382 /nfs/dbraw/zinc/20/53/82/279205382.db2.gz AZNZWXXCHCDUPS-UHFFFAOYSA-N 1 3 309.420 2.723 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000289991330 279258041 /nfs/dbraw/zinc/25/80/41/279258041.db2.gz YIRSDKJIAOGKJA-MNOVXSKESA-N 1 3 300.244 2.835 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000245886380 279266862 /nfs/dbraw/zinc/26/68/62/279266862.db2.gz CXUBIUBGQFROIJ-OKZBNKHCSA-N 1 3 323.525 2.735 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000155684474 279370032 /nfs/dbraw/zinc/37/00/32/279370032.db2.gz XDNUUMUOTLRGAN-AEFFLSMTSA-N 1 3 317.477 2.516 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000155684245 279370475 /nfs/dbraw/zinc/37/04/75/279370475.db2.gz XDNUUMUOTLRGAN-SJLPKXTDSA-N 1 3 317.477 2.516 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662695308 431164696 /nfs/dbraw/zinc/16/46/96/431164696.db2.gz JMQWDJOTMJHOBS-GJZGRUSLSA-N 1 3 321.509 2.534 20 0 DFADHO Cc1cncc(CCN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000649583681 431175620 /nfs/dbraw/zinc/17/56/20/431175620.db2.gz WAZDFJOYVOEUMC-CVEARBPZSA-N 1 3 302.466 2.570 20 0 DFADHO Cc1cncc(CCN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000649583681 431175627 /nfs/dbraw/zinc/17/56/27/431175627.db2.gz WAZDFJOYVOEUMC-CVEARBPZSA-N 1 3 302.466 2.570 20 0 DFADHO Cc1cncc(CC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)n1 ZINC000649583681 431175633 /nfs/dbraw/zinc/17/56/33/431175633.db2.gz WAZDFJOYVOEUMC-CVEARBPZSA-N 1 3 302.466 2.570 20 0 DFADHO Cc1cncc(CCN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000649583683 431176173 /nfs/dbraw/zinc/17/61/73/431176173.db2.gz WAZDFJOYVOEUMC-HZPDHXFCSA-N 1 3 302.466 2.570 20 0 DFADHO Cc1cncc(CCN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000649583683 431176177 /nfs/dbraw/zinc/17/61/77/431176177.db2.gz WAZDFJOYVOEUMC-HZPDHXFCSA-N 1 3 302.466 2.570 20 0 DFADHO Cc1cncc(CC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)n1 ZINC000649583683 431176185 /nfs/dbraw/zinc/17/61/85/431176185.db2.gz WAZDFJOYVOEUMC-HZPDHXFCSA-N 1 3 302.466 2.570 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662787756 431196004 /nfs/dbraw/zinc/19/60/04/431196004.db2.gz FEDUDCWHWWKHCM-UXLLHSPISA-N 1 3 319.493 2.525 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662787756 431196008 /nfs/dbraw/zinc/19/60/08/431196008.db2.gz FEDUDCWHWWKHCM-UXLLHSPISA-N 1 3 319.493 2.525 20 0 DFADHO C[C@H]1C[C@H](N(C)C(=O)CCCC[NH3+])CCN1Cc1ccccc1 ZINC000646046040 431159471 /nfs/dbraw/zinc/15/94/71/431159471.db2.gz AKZZPWPNDGQBTM-FUHWJXTLSA-N 1 3 317.477 2.627 20 0 DFADHO [NH3+][C@H](CCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000662839008 431213477 /nfs/dbraw/zinc/21/34/77/431213477.db2.gz OJLLCCNOXGWLJZ-KURKYZTESA-N 1 3 315.461 2.600 20 0 DFADHO CN(CCN1CCCCC1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000652992008 431218594 /nfs/dbraw/zinc/21/85/94/431218594.db2.gz ZWZNJFSRLAPLLE-SFHVURJKSA-N 1 3 317.477 2.624 20 0 DFADHO Cc1ccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000655939488 431226829 /nfs/dbraw/zinc/22/68/29/431226829.db2.gz IGBAIHKGFJLXNB-WBVHZDCISA-N 1 3 320.864 2.849 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@@H](O)C(C)C ZINC000666446716 431234571 /nfs/dbraw/zinc/23/45/71/431234571.db2.gz JNKLACXSVUVFRR-MSOLQXFVSA-N 1 3 308.466 2.512 20 0 DFADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC000660149714 431289696 /nfs/dbraw/zinc/28/96/96/431289696.db2.gz FINHPGHHMKWMNL-BCDXTJNWSA-N 1 3 305.510 2.523 20 0 DFADHO COc1ccc(C2(C[NH2+][C@H]3CCC[C@H](N)C3)CCOCC2)cc1 ZINC000656197496 431304030 /nfs/dbraw/zinc/30/40/30/431304030.db2.gz NAJDLIWOZVONGE-IRXDYDNUSA-N 1 3 318.461 2.603 20 0 DFADHO CCN(CC)C(=O)c1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000656197124 431305057 /nfs/dbraw/zinc/30/50/57/431305057.db2.gz GPKUMDCGGHSLHO-DLBZAZTESA-N 1 3 303.450 2.528 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000656197277 431306133 /nfs/dbraw/zinc/30/61/33/431306133.db2.gz WWEWGYZJSCZEKQ-OTWHNJEPSA-N 1 3 303.494 2.799 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)C1 ZINC000656198809 431306426 /nfs/dbraw/zinc/30/64/26/431306426.db2.gz XRRUXYKVFAAWQW-FCGDIQPGSA-N 1 3 320.452 2.759 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)C1 ZINC000656198809 431306431 /nfs/dbraw/zinc/30/64/31/431306431.db2.gz XRRUXYKVFAAWQW-FCGDIQPGSA-N 1 3 320.452 2.759 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)c1ccsc1 ZINC000653110062 431270418 /nfs/dbraw/zinc/27/04/18/431270418.db2.gz WSAPOBSQAVQRON-GDBMZVCRSA-N 1 3 323.506 2.637 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000653117916 431270790 /nfs/dbraw/zinc/27/07/90/431270790.db2.gz ZHDVZBHLIVDAFU-RDJZCZTQSA-N 1 3 317.477 2.622 20 0 DFADHO C[C@@H]1C[C@H](CN2CCN(c3ccccc3F)C[C@@H]2C)CC[NH2+]1 ZINC000666699158 431329248 /nfs/dbraw/zinc/32/92/48/431329248.db2.gz XJFYLDRQGAYARJ-OWCLPIDISA-N 1 3 305.441 2.724 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H](C3CC3)[C@H]3CCCCO3)CC2)ccn1 ZINC000656267884 431345933 /nfs/dbraw/zinc/34/59/33/431345933.db2.gz MESKBXFWFLPZHE-MOPGFXCFSA-N 1 3 315.461 2.988 20 0 DFADHO Fc1ccc(CCN2CCC([NH2+]C[C@H]3CCCCN3)CC2)cc1 ZINC000666770266 431351600 /nfs/dbraw/zinc/35/16/00/431351600.db2.gz QNSFIWPYYQBFRS-LJQANCHMSA-N 1 3 319.468 2.564 20 0 DFADHO Fc1cccc(N2CCCC2)c1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666950993 431419676 /nfs/dbraw/zinc/41/96/76/431419676.db2.gz VSBGWEPLXUCCON-QGZVFWFLSA-N 1 3 303.425 2.658 20 0 DFADHO C[C@@H](CNCCC(=O)N(C)c1ccccc1)C[NH+]1CCCCC1 ZINC000663357284 431383188 /nfs/dbraw/zinc/38/31/88/431383188.db2.gz ILLIYTVZMGRYIA-KRWDZBQOSA-N 1 3 317.477 2.751 20 0 DFADHO C[C@@H](C[NH2+]CCC(=O)N(C)c1ccccc1)CN1CCCCC1 ZINC000663357284 431383193 /nfs/dbraw/zinc/38/31/93/431383193.db2.gz ILLIYTVZMGRYIA-KRWDZBQOSA-N 1 3 317.477 2.751 20 0 DFADHO CC[C@H](C[NH+]1CCCC1)NCCC(=O)N(C)c1ccccc1 ZINC000663359442 431384177 /nfs/dbraw/zinc/38/41/77/431384177.db2.gz LOOBNUCPXBMUGV-MRXNPFEDSA-N 1 3 303.450 2.504 20 0 DFADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCCNCC1 ZINC000666858148 431387016 /nfs/dbraw/zinc/38/70/16/431387016.db2.gz ZZVUCEFEXGNPGF-HOTGVXAUSA-N 1 3 306.450 2.757 20 0 DFADHO C[C@@H]1C[NH2+]CC[C@@H]1CN1CCNC[C@@H]1c1ccccc1Cl ZINC000663495248 431442423 /nfs/dbraw/zinc/44/24/23/431442423.db2.gz WIEIYBDPNLAMBV-CKEIUWERSA-N 1 3 307.869 2.532 20 0 DFADHO CC(C)(C)n1cc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656785541 431521771 /nfs/dbraw/zinc/52/17/71/431521771.db2.gz LSQRHIVFMGNCHY-QGZVFWFLSA-N 1 3 304.482 2.850 20 0 DFADHO COc1cc(C)nc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656784864 431521907 /nfs/dbraw/zinc/52/19/07/431521907.db2.gz DIBOTCPSLSJGIC-MRXNPFEDSA-N 1 3 303.450 2.610 20 0 DFADHO CCc1nn(C)c(CC)c1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787241 431522168 /nfs/dbraw/zinc/52/21/68/431522168.db2.gz UYXAFYFBRNHUEH-MRXNPFEDSA-N 1 3 318.509 2.757 20 0 DFADHO Clc1ccccc1N1CC[C@@H](C[NH2+][C@H]2CCCNCC2)C1 ZINC000656787357 431523441 /nfs/dbraw/zinc/52/34/41/431523441.db2.gz IHNHBJWZHGZDKN-GJZGRUSLSA-N 1 3 307.869 2.898 20 0 DFADHO CN(C)CCOc1cc(CNc2[nH+]ccc3[nH]ccc32)ccn1 ZINC000663753901 431525424 /nfs/dbraw/zinc/52/54/24/431525424.db2.gz ILGOFKBYEGNMKO-UHFFFAOYSA-N 1 3 311.389 2.510 20 0 DFADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)[C@]1(O)CCOC1 ZINC000647247589 431529940 /nfs/dbraw/zinc/52/99/40/431529940.db2.gz SYHOQRUPNWQOCZ-IBGZPJMESA-N 1 3 324.509 2.551 20 0 DFADHO CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)[C@]1(O)CCOC1 ZINC000647247589 431529943 /nfs/dbraw/zinc/52/99/43/431529943.db2.gz SYHOQRUPNWQOCZ-IBGZPJMESA-N 1 3 324.509 2.551 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647199997 431507926 /nfs/dbraw/zinc/50/79/26/431507926.db2.gz BJMTZGMPAQRKAI-QGZVFWFLSA-N 1 3 324.415 2.921 20 0 DFADHO CN(C)CCOc1cc(C[NH2+]C2CCC(F)(F)CC2)ccn1 ZINC000647197687 431508513 /nfs/dbraw/zinc/50/85/13/431508513.db2.gz JAWGUPXNAPOIMM-UHFFFAOYSA-N 1 3 313.392 2.690 20 0 DFADHO CC(C)n1cc(C2=CCC[N@H+](CC[C@H]3CCCN3C)CC2)nn1 ZINC000660716832 431563203 /nfs/dbraw/zinc/56/32/03/431563203.db2.gz AZECIARSGLOHAM-QGZVFWFLSA-N 1 3 317.481 2.823 20 0 DFADHO CC(C)n1cc(C2=CCC[N@@H+](CC[C@H]3CCCN3C)CC2)nn1 ZINC000660716832 431563209 /nfs/dbraw/zinc/56/32/09/431563209.db2.gz AZECIARSGLOHAM-QGZVFWFLSA-N 1 3 317.481 2.823 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cn3cccnc3n2)C1 ZINC000298561907 279987648 /nfs/dbraw/zinc/98/76/48/279987648.db2.gz WBEQGSCKYCEUMY-HOTGVXAUSA-N 1 3 315.465 2.577 20 0 DFADHO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CC1 ZINC000104966854 280122161 /nfs/dbraw/zinc/12/21/61/280122161.db2.gz VGWBHPJHWUPICO-CABCVRRESA-N 1 3 321.509 2.628 20 0 DFADHO CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CC1 ZINC000104966854 280122163 /nfs/dbraw/zinc/12/21/63/280122163.db2.gz VGWBHPJHWUPICO-CABCVRRESA-N 1 3 321.509 2.628 20 0 DFADHO Cc1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1F ZINC000650707139 431652544 /nfs/dbraw/zinc/65/25/44/431652544.db2.gz ZGXSVDBAQKJXOP-XYJFISCASA-N 1 3 306.425 2.852 20 0 DFADHO COCCOc1ccc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000650711241 431655661 /nfs/dbraw/zinc/65/56/61/431655661.db2.gz MRVXWKVRPFPEKF-YJBOKZPZSA-N 1 3 306.450 2.661 20 0 DFADHO CCCN1CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657294083 431655989 /nfs/dbraw/zinc/65/59/89/431655989.db2.gz CLHYOKBQXKKUNR-LJQANCHMSA-N 1 3 318.461 2.818 20 0 DFADHO C[C@H]1CCCN(Cc2cc(-n3ccnc3)cs2)[C@H]1CC[NH3+] ZINC000650711108 431656476 /nfs/dbraw/zinc/65/64/76/431656476.db2.gz ITZVOTVNMQJBSG-BBRMVZONSA-N 1 3 304.463 2.883 20 0 DFADHO C[C@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)[C@H]1CCN ZINC000650711108 431656482 /nfs/dbraw/zinc/65/64/82/431656482.db2.gz ITZVOTVNMQJBSG-BBRMVZONSA-N 1 3 304.463 2.883 20 0 DFADHO C[C@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)[C@H]1CCN ZINC000650711108 431656488 /nfs/dbraw/zinc/65/64/88/431656488.db2.gz ITZVOTVNMQJBSG-BBRMVZONSA-N 1 3 304.463 2.883 20 0 DFADHO Cn1cc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(-c2ccccc2)n1 ZINC000650709217 431657782 /nfs/dbraw/zinc/65/77/82/431657782.db2.gz KGFLRXLBNOXBPB-HKUYNNGSSA-N 1 3 310.445 2.648 20 0 DFADHO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c(-c2ccccc2)n1 ZINC000650709217 431657787 /nfs/dbraw/zinc/65/77/87/431657787.db2.gz KGFLRXLBNOXBPB-HKUYNNGSSA-N 1 3 310.445 2.648 20 0 DFADHO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c(-c2ccccc2)n1 ZINC000650709217 431657793 /nfs/dbraw/zinc/65/77/93/431657793.db2.gz KGFLRXLBNOXBPB-HKUYNNGSSA-N 1 3 310.445 2.648 20 0 DFADHO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CCN)ccc1-n1cncn1 ZINC000650711010 431658204 /nfs/dbraw/zinc/65/82/04/431658204.db2.gz GHVJVOWTMWXUQG-PBHICJAKSA-N 1 3 313.449 2.525 20 0 DFADHO Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCN)ccc1-n1cncn1 ZINC000650711010 431658210 /nfs/dbraw/zinc/65/82/10/431658210.db2.gz GHVJVOWTMWXUQG-PBHICJAKSA-N 1 3 313.449 2.525 20 0 DFADHO Cc1cc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1-n1cncn1 ZINC000650711010 431658215 /nfs/dbraw/zinc/65/82/15/431658215.db2.gz GHVJVOWTMWXUQG-PBHICJAKSA-N 1 3 313.449 2.525 20 0 DFADHO CCO[C@@H]1CN(CCCCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000650713862 431659348 /nfs/dbraw/zinc/65/93/48/431659348.db2.gz GNXBSFJHUBJAKB-SJLPKXTDSA-N 1 3 306.450 2.531 20 0 DFADHO Nc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000647517765 431615123 /nfs/dbraw/zinc/61/51/23/431615123.db2.gz ALAFFZZFAVBENH-UHFFFAOYSA-N 1 3 302.466 2.582 20 0 DFADHO Cc1ccc2ncc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543326 431623637 /nfs/dbraw/zinc/62/36/37/431623637.db2.gz LALCVKDDOLLADN-IAGOWNOFSA-N 1 3 312.461 2.854 20 0 DFADHO c1cc2c(c(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c1)OCO2 ZINC000647542941 431625585 /nfs/dbraw/zinc/62/55/85/431625585.db2.gz FAVXDTGZRLBEBL-CABCVRRESA-N 1 3 302.418 2.627 20 0 DFADHO COc1cccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1OC ZINC000647543225 431625985 /nfs/dbraw/zinc/62/59/85/431625985.db2.gz JRWOYECSDBXAGS-CVEARBPZSA-N 1 3 318.461 2.915 20 0 DFADHO COc1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650722238 431665088 /nfs/dbraw/zinc/66/50/88/431665088.db2.gz NTPBTDYWUWWKIB-JQHSSLGASA-N 1 3 304.434 2.556 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cnc(C3CC3)s2)C1 ZINC000650723913 431665967 /nfs/dbraw/zinc/66/59/67/431665967.db2.gz VTLNPSPAORHLHM-KBMXLJTQSA-N 1 3 321.490 2.881 20 0 DFADHO [NH3+]CCC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000650722138 431666649 /nfs/dbraw/zinc/66/66/49/431666649.db2.gz MBZDCZQIGGESPD-UHFFFAOYSA-N 1 3 316.424 2.631 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000650761433 431685571 /nfs/dbraw/zinc/68/55/71/431685571.db2.gz ZTXWNOSVUDOWHZ-DGCLKSJQSA-N 1 3 312.360 2.528 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccc2c(c1)OC(F)(F)O2 ZINC000650761433 431685575 /nfs/dbraw/zinc/68/55/75/431685575.db2.gz ZTXWNOSVUDOWHZ-DGCLKSJQSA-N 1 3 312.360 2.528 20 0 DFADHO Fc1cccc(N2CCCC2)c1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647797029 431691452 /nfs/dbraw/zinc/69/14/52/431691452.db2.gz VJKMNPGJDULWKY-HRCADAONSA-N 1 3 317.452 2.904 20 0 DFADHO C[NH+]1CCC(CNCc2cccc(F)c2OC(F)F)CC1 ZINC000657349265 431693764 /nfs/dbraw/zinc/69/37/64/431693764.db2.gz PDJBMHPTTRKSAN-UHFFFAOYSA-N 1 3 302.340 2.859 20 0 DFADHO Cc1cccc2nc(CC[NH2+][C@H]3C[C@@H](N)c4ccccc43)cn21 ZINC000647804136 431693986 /nfs/dbraw/zinc/69/39/86/431693986.db2.gz JUPGAOCLOMVJSS-MSOLQXFVSA-N 1 3 306.413 2.920 20 0 DFADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)Nc1cccc(Cl)c1 ZINC000647814256 431696297 /nfs/dbraw/zinc/69/62/97/431696297.db2.gz GDJACIQMRDOYKM-UHFFFAOYSA-N 1 3 321.852 2.885 20 0 DFADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)Nc1cccc(Cl)c1 ZINC000647814256 431696302 /nfs/dbraw/zinc/69/63/02/431696302.db2.gz GDJACIQMRDOYKM-UHFFFAOYSA-N 1 3 321.852 2.885 20 0 DFADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)Nc1cccc(Cl)c1 ZINC000647814256 431696307 /nfs/dbraw/zinc/69/63/07/431696307.db2.gz GDJACIQMRDOYKM-UHFFFAOYSA-N 1 3 321.852 2.885 20 0 DFADHO CC[C@H](C)[N@H+](CC)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000661103126 431732568 /nfs/dbraw/zinc/73/25/68/431732568.db2.gz DUENINGGLUCXQU-RDJZCZTQSA-N 1 3 305.466 2.526 20 0 DFADHO CC[C@H](C)[N@@H+](CC)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000661103126 431732573 /nfs/dbraw/zinc/73/25/73/431732573.db2.gz DUENINGGLUCXQU-RDJZCZTQSA-N 1 3 305.466 2.526 20 0 DFADHO C[C@@H]1CN([C@@H]2C[C@@H]2c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000361348302 288250793 /nfs/dbraw/zinc/25/07/93/288250793.db2.gz JIDJWBGVDUFDBL-VBSBHUPXSA-N 1 3 313.489 2.500 20 0 DFADHO CC1CC[NH+](C2CCC(NCc3cc4n(n3)CCC4)CC2)CC1 ZINC000657416520 431736745 /nfs/dbraw/zinc/73/67/45/431736745.db2.gz UTYWKRKNMWLETR-UHFFFAOYSA-N 1 3 316.493 2.962 20 0 DFADHO CCN(C(=O)Nc1cccc(CN(C)C)c1)[C@H]1CC[N@H+](CC)C1 ZINC000664340420 431740586 /nfs/dbraw/zinc/74/05/86/431740586.db2.gz IODSBDHWKGSLHH-KRWDZBQOSA-N 1 3 318.465 2.696 20 0 DFADHO CCN(C(=O)Nc1cccc(CN(C)C)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000664340420 431740592 /nfs/dbraw/zinc/74/05/92/431740592.db2.gz IODSBDHWKGSLHH-KRWDZBQOSA-N 1 3 318.465 2.696 20 0 DFADHO C[C@H]([NH2+]Cc1cnn2c1CCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000657429188 431743949 /nfs/dbraw/zinc/74/39/49/431743949.db2.gz DSOJNRWBWHSJPJ-FUHWJXTLSA-N 1 3 324.472 2.830 20 0 DFADHO CCCN(C[C@H](O)C[N@H+](C)C(C)C)[C@H]1C[C@H](OCC)C1(C)C ZINC000647965029 431755056 /nfs/dbraw/zinc/75/50/56/431755056.db2.gz COTMOYJGBUNMNB-IKGGRYGDSA-N 1 3 314.514 2.603 20 0 DFADHO CCCN(C[C@H](O)C[N@@H+](C)C(C)C)[C@H]1C[C@H](OCC)C1(C)C ZINC000647965029 431755060 /nfs/dbraw/zinc/75/50/60/431755060.db2.gz COTMOYJGBUNMNB-IKGGRYGDSA-N 1 3 314.514 2.603 20 0 DFADHO CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@H]1CC[NH2+]C1 ZINC000647881524 431717356 /nfs/dbraw/zinc/71/73/56/431717356.db2.gz CPVOARKWRLROMI-AWEZNQCLSA-N 1 3 316.424 2.690 20 0 DFADHO CC(C)CC[NH+]1CCC(CNCc2cnn3c2CCC3)CC1 ZINC000657390789 431719444 /nfs/dbraw/zinc/71/94/44/431719444.db2.gz GXTFERDHIBSSBR-UHFFFAOYSA-N 1 3 304.482 2.677 20 0 DFADHO CN1C[C@@H](C[NH2+]Cc2c(C3CC3)cnn2C)[C@H](c2ccccc2)C1 ZINC000657500279 431788492 /nfs/dbraw/zinc/78/84/92/431788492.db2.gz MVFYVAHVZDYQFG-MJGOQNOKSA-N 1 3 324.472 2.733 20 0 DFADHO Clc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000657536958 431799836 /nfs/dbraw/zinc/79/98/36/431799836.db2.gz VOTKGXXJGJPPQJ-UHFFFAOYSA-N 1 3 312.841 2.914 20 0 DFADHO C[C@H](CN1CCOC2(CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000648071941 431808455 /nfs/dbraw/zinc/80/84/55/431808455.db2.gz BLBBTCYXHARGFE-OAHLLOKOSA-N 1 3 306.425 2.726 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cscc1Cl ZINC000657572700 431814829 /nfs/dbraw/zinc/81/48/29/431814829.db2.gz BXUCONQYVRTARS-LBPRGKRZSA-N 1 3 303.903 2.763 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(Cl)cc1F ZINC000657573747 431815818 /nfs/dbraw/zinc/81/58/18/431815818.db2.gz SEBYRCIEBPAOKM-ZDUSSCGKSA-N 1 3 315.864 2.841 20 0 DFADHO CCC(C)(C)[C@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000661230728 431787104 /nfs/dbraw/zinc/78/71/04/431787104.db2.gz CORTYXGKNMMBBT-RDJZCZTQSA-N 1 3 319.493 2.820 20 0 DFADHO Cc1ccccc1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596818 431821203 /nfs/dbraw/zinc/82/12/03/431821203.db2.gz ZFKOKWVPEMSBPH-HXUWFJFHSA-N 1 3 310.441 2.851 20 0 DFADHO Cc1ccccc1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657596818 431821207 /nfs/dbraw/zinc/82/12/07/431821207.db2.gz ZFKOKWVPEMSBPH-HXUWFJFHSA-N 1 3 310.441 2.851 20 0 DFADHO Cc1ncccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612677 431825183 /nfs/dbraw/zinc/82/51/83/431825183.db2.gz ORQMZRHRLRFMHO-UHFFFAOYSA-N 1 3 310.445 2.787 20 0 DFADHO COCC(C)(C)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613838 431826140 /nfs/dbraw/zinc/82/61/40/431826140.db2.gz SNLYHFUVBVTMLA-UHFFFAOYSA-N 1 3 305.466 2.556 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)Cc1ccc2ncccc2c1 ZINC000289430058 289133128 /nfs/dbraw/zinc/13/31/28/289133128.db2.gz NOJBJKSOPNTTQH-UHFFFAOYSA-N 1 3 314.477 2.550 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000289430058 289133129 /nfs/dbraw/zinc/13/31/29/289133129.db2.gz NOJBJKSOPNTTQH-UHFFFAOYSA-N 1 3 314.477 2.550 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000343934828 289172338 /nfs/dbraw/zinc/17/23/38/289172338.db2.gz OOTFLAQQWRMREK-GOEBONIOSA-N 1 3 309.429 2.640 20 0 DFADHO COC[C@@H](C)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000177566099 292757823 /nfs/dbraw/zinc/75/78/23/292757823.db2.gz NRNWPDWDMLGRDA-INIZCTEOSA-N 1 3 319.493 2.589 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(OCCN(C)C)cc1 ZINC000305106345 290043486 /nfs/dbraw/zinc/04/34/86/290043486.db2.gz DDENMNBBNKOYIB-WDYCEAGBSA-N 1 3 320.477 2.829 20 0 DFADHO CN1CC[C@H](CNC(=O)CC(C)(C)[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000366324710 290193959 /nfs/dbraw/zinc/19/39/59/290193959.db2.gz BAUJMTUHVAAOFL-CZUORRHYSA-N 1 3 323.868 2.576 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@@H](C)c1ccccc1OC(F)F ZINC000234803625 293096609 /nfs/dbraw/zinc/09/66/09/293096609.db2.gz CWNJWYJGTADBBK-RYUDHWBXSA-N 1 3 302.365 2.693 20 0 DFADHO COc1cc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc(OC)c1OC ZINC000293316106 295019115 /nfs/dbraw/zinc/01/91/15/295019115.db2.gz FKJAHGZXRZOYDD-QWHCGFSZSA-N 1 3 310.438 2.561 20 0 DFADHO Cc1cccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)c1C ZINC000154355076 295298100 /nfs/dbraw/zinc/29/81/00/295298100.db2.gz SKQCCQWQMMBERN-GOSISDBHSA-N 1 3 303.494 2.982 20 0 DFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(F)ccc1F ZINC000154350237 295298224 /nfs/dbraw/zinc/29/82/24/295298224.db2.gz QQTZDCSXZMUKCV-CQSZACIVSA-N 1 3 311.420 2.643 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000154409314 295299663 /nfs/dbraw/zinc/29/96/63/295299663.db2.gz DGBXQIRZCGKIEA-INIZCTEOSA-N 1 3 307.507 2.743 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000154422283 295300053 /nfs/dbraw/zinc/30/00/53/295300053.db2.gz YTRSNAGMOIJWQQ-IBGZPJMESA-N 1 3 301.478 2.681 20 0 DFADHO CC[C@@H]1CN(CCCCN2C[C@@H](CC)O[C@@H](C)C2)C[C@H](C)O1 ZINC000158091759 295358335 /nfs/dbraw/zinc/35/83/35/295358335.db2.gz SYZIPMKQUBECGI-WNRNVDISSA-N 1 3 312.498 2.765 20 0 DFADHO CC[C@@H]1CN(CCCC[N@H+]2C[C@@H](CC)O[C@@H](C)C2)C[C@H](C)O1 ZINC000158091759 295358336 /nfs/dbraw/zinc/35/83/36/295358336.db2.gz SYZIPMKQUBECGI-WNRNVDISSA-N 1 3 312.498 2.765 20 0 DFADHO CC[C@@H]1CN(CCCC[N@@H+]2C[C@@H](CC)O[C@@H](C)C2)C[C@H](C)O1 ZINC000158091759 295358338 /nfs/dbraw/zinc/35/83/38/295358338.db2.gz SYZIPMKQUBECGI-WNRNVDISSA-N 1 3 312.498 2.765 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CCc3cncs3)CC2)C[C@@H](C)O1 ZINC000411223119 295532433 /nfs/dbraw/zinc/53/24/33/295532433.db2.gz XPBKDXRLSRDAMH-HUUCEWRRSA-N 1 3 323.506 2.507 20 0 DFADHO CC(C)(C)[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411368628 295536177 /nfs/dbraw/zinc/53/61/77/295536177.db2.gz OPXGQJNSTMNAFQ-KRWDZBQOSA-N 1 3 317.477 2.662 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)Nc2ccc(CN(C)C)cc2F)CC1 ZINC000412559872 295634143 /nfs/dbraw/zinc/63/41/43/295634143.db2.gz OYDFIFQBMJLJFQ-UHFFFAOYSA-N 1 3 321.440 2.946 20 0 DFADHO CC[NH+]1CCC(CCNC(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC000439963701 297141532 /nfs/dbraw/zinc/14/15/32/297141532.db2.gz VFFPPWLNIXSLFP-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000440130434 297145269 /nfs/dbraw/zinc/14/52/69/297145269.db2.gz ISJJAJXSMCPTJK-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO CCCC[N@H+](C)CC1CCN(CC2(CC(=O)OC)CC2)CC1 ZINC000440694078 297162175 /nfs/dbraw/zinc/16/21/75/297162175.db2.gz QJJBWCLWDWCCSI-UHFFFAOYSA-N 1 3 310.482 2.774 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(CC2(CC(=O)OC)CC2)CC1 ZINC000440694078 297162176 /nfs/dbraw/zinc/16/21/76/297162176.db2.gz QJJBWCLWDWCCSI-UHFFFAOYSA-N 1 3 310.482 2.774 20 0 DFADHO C[C@@H](CCc1ccccc1)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441339014 297180152 /nfs/dbraw/zinc/18/01/52/297180152.db2.gz GXFCFTQCTYKXQN-SFHVURJKSA-N 1 3 317.521 2.871 20 0 DFADHO C[NH+](C)CC1CCC(NC(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC000442247261 297193251 /nfs/dbraw/zinc/19/32/51/297193251.db2.gz FJMCRIFYJQQYCT-LEOMRAHMSA-N 1 3 321.509 2.630 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CCCc3sccc32)CC1(C)C ZINC000442873394 297208744 /nfs/dbraw/zinc/20/87/44/297208744.db2.gz KYAYYNMVLNINKN-OAHLLOKOSA-N 1 3 307.507 2.741 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCN1CCC2(CCCCC2)CC1 ZINC000442868236 297208857 /nfs/dbraw/zinc/20/88/57/297208857.db2.gz NJBLSFFJORPTCV-MSOLQXFVSA-N 1 3 307.526 2.963 20 0 DFADHO Cc1cccc2c1CC[C@@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442874496 297209292 /nfs/dbraw/zinc/20/92/92/297209292.db2.gz QPGCNWXATFKHPL-SFHVURJKSA-N 1 3 301.478 2.598 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1(C)C ZINC000442875998 297209339 /nfs/dbraw/zinc/20/93/39/297209339.db2.gz QFIYVJMTTNHLSB-INIZCTEOSA-N 1 3 319.493 2.909 20 0 DFADHO CC(C)CSCCC[NH+]1CCC(N(C)C[C@@H](C)O)CC1 ZINC000443625705 297223279 /nfs/dbraw/zinc/22/32/79/297223279.db2.gz HKAUCGFVLVJUOJ-OAHLLOKOSA-N 1 3 302.528 2.543 20 0 DFADHO CC[C@H](NCCOCC[NH+](C)C)c1cc(Cl)ccc1OC ZINC000447593376 297310018 /nfs/dbraw/zinc/31/00/18/297310018.db2.gz RMQSNRBJHXBTCN-HNNXBMFYSA-N 1 3 314.857 2.968 20 0 DFADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCOCCN(C)C)CC3 ZINC000447597817 297310311 /nfs/dbraw/zinc/31/03/11/297310311.db2.gz TVZUEVZYCAERPN-HNNXBMFYSA-N 1 3 315.461 2.501 20 0 DFADHO COC1([C@@H](C)NC2CC[NH+](C3CCCC3)CC2)CCOCC1 ZINC000453132791 298065815 /nfs/dbraw/zinc/06/58/15/298065815.db2.gz MLMLQQVYKDDGGT-OAHLLOKOSA-N 1 3 310.482 2.567 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@H](C)Cc1cnccn1 ZINC000453142371 298066546 /nfs/dbraw/zinc/06/65/46/298066546.db2.gz ZERFHFWQNRJLJB-SOLBZPMBSA-N 1 3 304.482 2.898 20 0 DFADHO c1ccc(CN2CC[C@H]([NH2+]CCN3CCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453174776 298068797 /nfs/dbraw/zinc/06/87/97/298068797.db2.gz PAGMJJVZKLPERZ-AABGKKOBSA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(C[N@H+]2CC[C@H](NCCN3CCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453174776 298068800 /nfs/dbraw/zinc/06/88/00/298068800.db2.gz PAGMJJVZKLPERZ-AABGKKOBSA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@H](NCCN3CCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453174776 298068802 /nfs/dbraw/zinc/06/88/02/298068802.db2.gz PAGMJJVZKLPERZ-AABGKKOBSA-N 1 3 313.489 2.725 20 0 DFADHO C[N@@H+]1CC[C@](O)(CN[C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453192366 298070156 /nfs/dbraw/zinc/07/01/56/298070156.db2.gz GKZCHOFCBZVUBS-IRXDYDNUSA-N 1 3 308.853 2.837 20 0 DFADHO C[N@H+]1CC[C@](O)(CN[C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453192366 298070157 /nfs/dbraw/zinc/07/01/57/298070157.db2.gz GKZCHOFCBZVUBS-IRXDYDNUSA-N 1 3 308.853 2.837 20 0 DFADHO C[C@@H]([NH2+]CC1=CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000453299983 298081371 /nfs/dbraw/zinc/08/13/71/298081371.db2.gz WNJQNMKFBONZJG-OAHLLOKOSA-N 1 3 304.434 2.624 20 0 DFADHO C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000453358120 298086819 /nfs/dbraw/zinc/08/68/19/298086819.db2.gz JUSYSXCDNDFUGH-RHSMWYFYSA-N 1 3 306.450 2.703 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnc(C)cc2C)[C@H](C)C1 ZINC000453367157 298087138 /nfs/dbraw/zinc/08/71/38/298087138.db2.gz PRICJADTEQDOGV-VQIMIIECSA-N 1 3 319.493 2.925 20 0 DFADHO O[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000453389504 298089510 /nfs/dbraw/zinc/08/95/10/298089510.db2.gz RKDZAJIEBFIQOG-HAGHYFMRSA-N 1 3 314.473 2.933 20 0 DFADHO O[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000453389504 298089514 /nfs/dbraw/zinc/08/95/14/298089514.db2.gz RKDZAJIEBFIQOG-HAGHYFMRSA-N 1 3 314.473 2.933 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cccc(OCCN(C)C)c1 ZINC000453401420 298090450 /nfs/dbraw/zinc/09/04/50/298090450.db2.gz DQMDZKCNLLOSDO-IIDMSEBBSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cccc(OCCN(C)C)c1 ZINC000453401422 298090552 /nfs/dbraw/zinc/09/05/52/298090552.db2.gz DQMDZKCNLLOSDO-RKVPGOIHSA-N 1 3 306.450 2.845 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ccc(C)cn2)[C@H](C)C1 ZINC000453439152 298095907 /nfs/dbraw/zinc/09/59/07/298095907.db2.gz VWAKJFRWCRNQEN-MJGOQNOKSA-N 1 3 319.493 2.659 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCc2ccc(C)cn2)[C@H](C)C1 ZINC000453439152 298095910 /nfs/dbraw/zinc/09/59/10/298095910.db2.gz VWAKJFRWCRNQEN-MJGOQNOKSA-N 1 3 319.493 2.659 20 0 DFADHO C[N@H+](CCCCNCc1nccn1Cc1ccccc1)C1CC1 ZINC000453605061 298104291 /nfs/dbraw/zinc/10/42/91/298104291.db2.gz ZXQAAHKGHDQWDE-UHFFFAOYSA-N 1 3 312.461 2.895 20 0 DFADHO C[N@@H+](CCCCNCc1nccn1Cc1ccccc1)C1CC1 ZINC000453605061 298104295 /nfs/dbraw/zinc/10/42/95/298104295.db2.gz ZXQAAHKGHDQWDE-UHFFFAOYSA-N 1 3 312.461 2.895 20 0 DFADHO C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N1CCCCCC1 ZINC000357812968 298146196 /nfs/dbraw/zinc/14/61/96/298146196.db2.gz VEBSDJSVIWGFGW-IAGOWNOFSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N1CCCCCC1 ZINC000357812968 298146202 /nfs/dbraw/zinc/14/62/02/298146202.db2.gz VEBSDJSVIWGFGW-IAGOWNOFSA-N 1 3 323.525 2.878 20 0 DFADHO CC[C@H](NCC1([NH3+])CCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496625853 300090088 /nfs/dbraw/zinc/09/00/88/300090088.db2.gz PDHYMXBIAKOELI-UONOGXRCSA-N 1 3 311.470 2.636 20 0 DFADHO [NH3+][C@@H](CCC(=O)N1CC[C@@H](N2CCCC2)C1)CC1CCCCC1 ZINC000515057291 300287957 /nfs/dbraw/zinc/28/79/57/300287957.db2.gz WOEFIRUGHSXBJY-ZWKOTPCHSA-N 1 3 321.509 2.761 20 0 DFADHO C[C@H]([NH2+]CC(=O)NCCN1CCCCCC1)C1CCCCC1 ZINC000515147230 300292369 /nfs/dbraw/zinc/29/23/69/300292369.db2.gz ADAYZRLSRMHQEB-INIZCTEOSA-N 1 3 309.498 2.537 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000515311551 300300477 /nfs/dbraw/zinc/30/04/77/300300477.db2.gz NMDAMPPGSVJKND-AEFFLSMTSA-N 1 3 305.441 2.650 20 0 DFADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@H]3CCCC[C@H]3O)C2)CC1 ZINC000517032828 300379565 /nfs/dbraw/zinc/37/95/65/300379565.db2.gz CGDGNJGKWMFUMP-IPMKNSEASA-N 1 3 308.510 2.981 20 0 DFADHO CC1CCN(C[C@@H]2CCC[N@H+](C[C@H]3CCCC[C@H]3O)C2)CC1 ZINC000517032828 300379568 /nfs/dbraw/zinc/37/95/68/300379568.db2.gz CGDGNJGKWMFUMP-IPMKNSEASA-N 1 3 308.510 2.981 20 0 DFADHO CC1CCN(C[C@@H]2CCC[N@@H+](C[C@H]3CCCC[C@H]3O)C2)CC1 ZINC000517032828 300379570 /nfs/dbraw/zinc/37/95/70/300379570.db2.gz CGDGNJGKWMFUMP-IPMKNSEASA-N 1 3 308.510 2.981 20 0 DFADHO CO[C@H]1c2ccccc2C[C@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000517223097 300388237 /nfs/dbraw/zinc/38/82/37/300388237.db2.gz JJAWCNKQCBYNTM-MOPGFXCFSA-N 1 3 300.446 2.763 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000518999535 300440968 /nfs/dbraw/zinc/44/09/68/300440968.db2.gz DZEXSSQJFLSLNC-HIFRSBDPSA-N 1 3 309.841 2.918 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC1CC[NH+](C2CCCC2)CC1 ZINC000519761451 300475560 /nfs/dbraw/zinc/47/55/60/300475560.db2.gz CUKYXZIYZSVYFR-AWEZNQCLSA-N 1 3 316.493 2.906 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527860528 300702470 /nfs/dbraw/zinc/70/24/70/300702470.db2.gz ALXKUNTWDYYEHR-HNNXBMFYSA-N 1 3 312.816 2.513 20 0 DFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@@H]1CC12CC2 ZINC000527868552 300704269 /nfs/dbraw/zinc/70/42/69/300704269.db2.gz KTWSNRMJAOISQB-BEFAXECRSA-N 1 3 314.473 2.922 20 0 DFADHO COc1cccc(C[C@@H]([NH2+][C@H]2CCNC23CCC3)C2CC2)c1 ZINC000530224317 301031525 /nfs/dbraw/zinc/03/15/25/301031525.db2.gz WBVGTOUEAODRRR-MSOLQXFVSA-N 1 3 300.446 2.891 20 0 DFADHO CC(C)(C)c1ncc2c(n1)CCN(CCC1CC[NH2+]CC1)C2 ZINC000530224563 301031648 /nfs/dbraw/zinc/03/16/48/301031648.db2.gz RAGPSJAOTKASMQ-UHFFFAOYSA-N 1 3 302.466 2.522 20 0 DFADHO CC(C)[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CC1 ZINC000531708393 301105086 /nfs/dbraw/zinc/10/50/86/301105086.db2.gz JLHKRAAENHSXGH-IBGZPJMESA-N 1 3 316.493 2.618 20 0 DFADHO C[C@@H]1CCN(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000531728248 301106600 /nfs/dbraw/zinc/10/66/00/301106600.db2.gz KMOOMZDTRPFIOR-GGPKGHCWSA-N 1 3 315.505 2.971 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NCC[N@@H+]2CC[C@@H](C)C2)c1C ZINC000531728578 301106923 /nfs/dbraw/zinc/10/69/23/301106923.db2.gz SBYXXMPGMUPGTH-ZBFHGGJFSA-N 1 3 317.477 2.952 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NCC[N@H+]2CC[C@@H](C)C2)c1C ZINC000531728578 301106924 /nfs/dbraw/zinc/10/69/24/301106924.db2.gz SBYXXMPGMUPGTH-ZBFHGGJFSA-N 1 3 317.477 2.952 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531954935 301121194 /nfs/dbraw/zinc/12/11/94/301121194.db2.gz IKVLAAYNQNNNFF-ZIAGYGMSSA-N 1 3 301.434 2.564 20 0 DFADHO C[C@H]1CCN(CCNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000532531759 301159065 /nfs/dbraw/zinc/15/90/65/301159065.db2.gz CLZAYBRWLHNTJU-AOIWGVFYSA-N 1 3 307.526 2.961 20 0 DFADHO Cc1cc(C)c2c(c1)[C@@H](NCCOCC[NH+](C)C)CCCO2 ZINC000351504110 301210037 /nfs/dbraw/zinc/21/00/37/301210037.db2.gz UNENZRRJGFWAIS-KRWDZBQOSA-N 1 3 306.450 2.685 20 0 DFADHO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000539072687 301337921 /nfs/dbraw/zinc/33/79/21/301337921.db2.gz ZWYHSCVEXNSNGO-WMZOPIPTSA-N 1 3 317.477 2.646 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000541571819 301389969 /nfs/dbraw/zinc/38/99/69/301389969.db2.gz UKIBQHSGEBQXCU-FZMZJTMJSA-N 1 3 300.368 2.966 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000541571819 301389971 /nfs/dbraw/zinc/38/99/71/301389971.db2.gz UKIBQHSGEBQXCU-FZMZJTMJSA-N 1 3 300.368 2.966 20 0 DFADHO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000552043303 301678338 /nfs/dbraw/zinc/67/83/38/301678338.db2.gz GYSQBYJBUHFWPB-MSOLQXFVSA-N 1 3 307.526 2.961 20 0 DFADHO CC1=CCC[C@H](C)[C@H]1C[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000552279557 301688694 /nfs/dbraw/zinc/68/86/94/301688694.db2.gz RYNLGUWEHINCET-ROUUACIJSA-N 1 3 321.509 2.561 20 0 DFADHO COc1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)ccn1 ZINC000559917488 301878700 /nfs/dbraw/zinc/87/87/00/301878700.db2.gz PUKYXZBMLWDNFG-OAGGEKHMSA-N 1 3 321.465 2.630 20 0 DFADHO C[C@@H](NCCc1nc(C(F)(F)F)cs1)[C@@H]1CCC[NH2+]C1 ZINC000562958958 302018461 /nfs/dbraw/zinc/01/84/61/302018461.db2.gz GDISFHLASRJWQC-NXEZZACHSA-N 1 3 307.385 2.682 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000562960438 302018785 /nfs/dbraw/zinc/01/87/85/302018785.db2.gz XXENWZIUQSSERO-CABCVRRESA-N 1 3 316.474 2.855 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCc1nc(-c2ccncc2)cs1 ZINC000562960438 302018788 /nfs/dbraw/zinc/01/87/88/302018788.db2.gz XXENWZIUQSSERO-CABCVRRESA-N 1 3 316.474 2.855 20 0 DFADHO CCCCOC[C@@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000562992795 302022573 /nfs/dbraw/zinc/02/25/73/302022573.db2.gz YEAHHEXFIVWHPF-SFHVURJKSA-N 1 3 312.498 2.551 20 0 DFADHO C[C@@H](NCC1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000564779509 302157965 /nfs/dbraw/zinc/15/79/65/302157965.db2.gz UDIKSWGBIYPLCP-LLVKDONJSA-N 1 3 312.255 2.837 20 0 DFADHO C[C@H](CC[NH+](C)C)NC[C@H](O)Cc1ccccc1C(F)(F)F ZINC000564855761 302165188 /nfs/dbraw/zinc/16/51/88/302165188.db2.gz HGAKGZHMQWAIQS-TZMCWYRMSA-N 1 3 318.383 2.539 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)c2ccccc2CC[NH3+])c1 ZINC000565150895 302197680 /nfs/dbraw/zinc/19/76/80/302197680.db2.gz MMNLJIMZRZKOGG-UHFFFAOYSA-N 1 3 311.429 2.810 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN1CC[C@](C)(CCc2ccccc2)C1 ZINC000565155533 302198741 /nfs/dbraw/zinc/19/87/41/302198741.db2.gz GHJWTQMSFBNBAY-OALUTQOASA-N 1 3 304.478 2.644 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@](C)(CCc2ccccc2)C1 ZINC000565155533 302198744 /nfs/dbraw/zinc/19/87/44/302198744.db2.gz GHJWTQMSFBNBAY-OALUTQOASA-N 1 3 304.478 2.644 20 0 DFADHO Cn1cncc1CCC[N@H+](C)C(C)(C)CN1CCCCCC1 ZINC000565158608 302199352 /nfs/dbraw/zinc/19/93/52/302199352.db2.gz TZIPGSWIMFZBNA-UHFFFAOYSA-N 1 3 306.498 2.939 20 0 DFADHO Cn1cncc1CCC[N@@H+](C)C(C)(C)CN1CCCCCC1 ZINC000565158608 302199353 /nfs/dbraw/zinc/19/93/53/302199353.db2.gz TZIPGSWIMFZBNA-UHFFFAOYSA-N 1 3 306.498 2.939 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C2CC(N(C)C)C2)CCN1Cc1ccccc1 ZINC000565218805 302208923 /nfs/dbraw/zinc/20/89/23/302208923.db2.gz PCKPQNRBTDVMCO-SVUBNXHSSA-N 1 3 301.478 2.722 20 0 DFADHO CCN(C(=O)CCCC[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000565890562 302247521 /nfs/dbraw/zinc/24/75/21/302247521.db2.gz UJYLNBGYVVPHAP-SJLPKXTDSA-N 1 3 317.477 2.799 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000566087975 302257951 /nfs/dbraw/zinc/25/79/51/302257951.db2.gz IJZCIOSTTMHMEC-XHSDSOJGSA-N 1 3 303.450 2.690 20 0 DFADHO C[C@H](C[NH2+]C[C@@H](O)CCc1ccccc1)CN1CCCCC1 ZINC000566106371 302260224 /nfs/dbraw/zinc/26/02/24/302260224.db2.gz NSZAWUCLZNBWQE-MJGOQNOKSA-N 1 3 304.478 2.692 20 0 DFADHO C[C@H](CNC[C@@H](O)CCc1ccccc1)C[NH+]1CCCCC1 ZINC000566106371 302260228 /nfs/dbraw/zinc/26/02/28/302260228.db2.gz NSZAWUCLZNBWQE-MJGOQNOKSA-N 1 3 304.478 2.692 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CO[C@H](C)C2)CC1 ZINC000566219514 302268096 /nfs/dbraw/zinc/26/80/96/302268096.db2.gz DLKSJLPBRWWERZ-MDZRGWNJSA-N 1 3 302.462 2.849 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000567102851 302335699 /nfs/dbraw/zinc/33/56/99/302335699.db2.gz XKNRRFWTCUNCEV-OKDNKWQNSA-N 1 3 315.461 2.847 20 0 DFADHO C[C@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)N1CCCC1 ZINC000567164807 302341246 /nfs/dbraw/zinc/34/12/46/302341246.db2.gz XLYIKSOGZVOGHU-NVXWUHKLSA-N 1 3 309.498 2.665 20 0 DFADHO CCn1nc(C)c(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)c1C ZINC000567647642 302376158 /nfs/dbraw/zinc/37/61/58/302376158.db2.gz CQDXFVHIEJKLCI-SCLBCKFNSA-N 1 3 300.450 2.568 20 0 DFADHO C[C@H](CNCCC(=O)Nc1ccccc1)C[NH+]1CCCCC1 ZINC000567678290 302378407 /nfs/dbraw/zinc/37/84/07/302378407.db2.gz OZXWAZDJBBEMQG-MRXNPFEDSA-N 1 3 303.450 2.727 20 0 DFADHO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1)CN1CCCCC1 ZINC000567678290 302378409 /nfs/dbraw/zinc/37/84/09/302378409.db2.gz OZXWAZDJBBEMQG-MRXNPFEDSA-N 1 3 303.450 2.727 20 0 DFADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000567894141 302397032 /nfs/dbraw/zinc/39/70/32/302397032.db2.gz MHLZVURBVJBMRC-HOCLYGCPSA-N 1 3 305.466 2.559 20 0 DFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000567894141 302397035 /nfs/dbraw/zinc/39/70/35/302397035.db2.gz MHLZVURBVJBMRC-HOCLYGCPSA-N 1 3 305.466 2.559 20 0 DFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000567894142 302397276 /nfs/dbraw/zinc/39/72/76/302397276.db2.gz MHLZVURBVJBMRC-ZBFHGGJFSA-N 1 3 305.466 2.559 20 0 DFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000567894142 302397278 /nfs/dbraw/zinc/39/72/78/302397278.db2.gz MHLZVURBVJBMRC-ZBFHGGJFSA-N 1 3 305.466 2.559 20 0 DFADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000567894140 302397339 /nfs/dbraw/zinc/39/73/39/302397339.db2.gz MHLZVURBVJBMRC-GOEBONIOSA-N 1 3 305.466 2.559 20 0 DFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000567894140 302397341 /nfs/dbraw/zinc/39/73/41/302397341.db2.gz MHLZVURBVJBMRC-GOEBONIOSA-N 1 3 305.466 2.559 20 0 DFADHO NC1(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCCC1 ZINC000237909628 303354982 /nfs/dbraw/zinc/35/49/82/303354982.db2.gz CZBIFCLSOVZPFT-UHFFFAOYSA-N 1 3 307.482 2.563 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1CCN(C)CC1)CCC2 ZINC000166146497 315890271 /nfs/dbraw/zinc/89/02/71/315890271.db2.gz NVWRZMXGHFGYTP-HXUWFJFHSA-N 1 3 315.505 2.990 20 0 DFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182234099 316092099 /nfs/dbraw/zinc/09/20/99/316092099.db2.gz SSSOOKCXDAVXFA-IAGOWNOFSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(CN(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000317302894 316247921 /nfs/dbraw/zinc/24/79/21/316247921.db2.gz XDPQJORJCXWDOM-ZBFHGGJFSA-N 1 3 303.450 2.713 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000321941631 316257638 /nfs/dbraw/zinc/25/76/38/316257638.db2.gz BJAMSVMEHQHPEW-ROUUACIJSA-N 1 3 317.477 2.718 20 0 DFADHO CCCc1cccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000414780896 316653324 /nfs/dbraw/zinc/65/33/24/316653324.db2.gz URPMRWMCIJMGSL-MOPGFXCFSA-N 1 3 302.462 2.967 20 0 DFADHO COc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc(Cl)c1OC ZINC000414811798 316664818 /nfs/dbraw/zinc/66/48/18/316664818.db2.gz WOPTVYZGLFPXFK-GXTWGEPZSA-N 1 3 312.841 2.964 20 0 DFADHO C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000450504565 317101139 /nfs/dbraw/zinc/10/11/39/317101139.db2.gz YOFDQYDRPPHUMT-KRWDZBQOSA-N 1 3 321.509 2.632 20 0 DFADHO c1cnn(CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453140544 317164712 /nfs/dbraw/zinc/16/47/12/317164712.db2.gz QJFRVCIJTWABMX-SLFFLAALSA-N 1 3 324.472 2.916 20 0 DFADHO c1cnn(CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453140544 317164714 /nfs/dbraw/zinc/16/47/14/317164714.db2.gz QJFRVCIJTWABMX-SLFFLAALSA-N 1 3 324.472 2.916 20 0 DFADHO CC(C)[C@@H](Cn1cccn1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000453148494 317165794 /nfs/dbraw/zinc/16/57/94/317165794.db2.gz ZCIRDKMEXMXCMP-GOSISDBHSA-N 1 3 304.482 2.904 20 0 DFADHO CC(C)[C@@H](Cn1cccn1)NC1CC[NH+](C2CCCC2)CC1 ZINC000453148494 317165795 /nfs/dbraw/zinc/16/57/95/317165795.db2.gz ZCIRDKMEXMXCMP-GOSISDBHSA-N 1 3 304.482 2.904 20 0 DFADHO COC1([C@H](C)[NH2+]C[C@H]2CCCN(CC(C)C)C2)CCOCC1 ZINC000453167943 317168193 /nfs/dbraw/zinc/16/81/93/317168193.db2.gz JKCUYQTXOJNRTC-DLBZAZTESA-N 1 3 312.498 2.528 20 0 DFADHO COC1([C@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)CCOCC1 ZINC000453167943 317168195 /nfs/dbraw/zinc/16/81/95/317168195.db2.gz JKCUYQTXOJNRTC-DLBZAZTESA-N 1 3 312.498 2.528 20 0 DFADHO COC1([C@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CCOCC1 ZINC000453167943 317168198 /nfs/dbraw/zinc/16/81/98/317168198.db2.gz JKCUYQTXOJNRTC-DLBZAZTESA-N 1 3 312.498 2.528 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000458236532 317269949 /nfs/dbraw/zinc/26/99/49/317269949.db2.gz YJNXMWAYPQSZND-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000458236532 317269950 /nfs/dbraw/zinc/26/99/50/317269950.db2.gz YJNXMWAYPQSZND-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]1C[C@H]1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000488410079 317390753 /nfs/dbraw/zinc/39/07/53/317390753.db2.gz HZRMTQCSOFETTP-ICSRJNTNSA-N 1 3 315.505 2.830 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488414219 317391205 /nfs/dbraw/zinc/39/12/05/317391205.db2.gz NEFPXGAROYVWGL-JKSUJKDBSA-N 1 3 313.555 2.524 20 0 DFADHO C[C@@H](c1cccc(F)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242517 317778160 /nfs/dbraw/zinc/77/81/60/317778160.db2.gz UKVFNZVAEBNKHP-KBXCAEBGSA-N 1 3 306.425 2.977 20 0 DFADHO CSC1(CN[C@H](C)c2cn3ccccc3n2)CC[NH+](C)CC1 ZINC000566475673 317951201 /nfs/dbraw/zinc/95/12/01/317951201.db2.gz NUARSBGAAUYAFS-CQSZACIVSA-N 1 3 318.490 2.812 20 0 DFADHO C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)c1nc(-c2ccccc2)no1 ZINC000566482071 317951859 /nfs/dbraw/zinc/95/18/59/317951859.db2.gz RRTKKGDUQXXLLJ-SNPRPXQTSA-N 1 3 300.406 2.700 20 0 DFADHO [NH3+][C@H]1CCC[C@H](Nc2cccc(CN3CCSCC3)c2)C1 ZINC000573020616 318011596 /nfs/dbraw/zinc/01/15/96/318011596.db2.gz QFOFADKFNXEACE-RDJZCZTQSA-N 1 3 305.491 2.917 20 0 DFADHO CC1CCC(O)(C[NH2+]Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000574869594 318046146 /nfs/dbraw/zinc/04/61/46/318046146.db2.gz XHPJRARDEUZNIY-UHFFFAOYSA-N 1 3 320.477 2.658 20 0 DFADHO CC[NH+]1CCC(NC[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000575040406 318058467 /nfs/dbraw/zinc/05/84/67/318058467.db2.gz WXNNASRPTYENEH-HXUWFJFHSA-N 1 3 312.457 2.817 20 0 DFADHO O=C(CCNC1CC[NH+](C2CCC2)CC1)Nc1cccc(F)c1 ZINC000575377864 318075508 /nfs/dbraw/zinc/07/55/08/318075508.db2.gz PGWKEUJBOWFDIM-UHFFFAOYSA-N 1 3 319.424 2.761 20 0 DFADHO C[C@H](CC[NH+](C)C)NC[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000575917060 318091478 /nfs/dbraw/zinc/09/14/78/318091478.db2.gz HHZHFYHAUWJXQS-IUODEOHRSA-N 1 3 318.383 2.539 20 0 DFADHO C[NH+](C)CC1(CNC[C@H](O)Cc2cccc(Cl)c2)CCCC1 ZINC000576578609 318135320 /nfs/dbraw/zinc/13/53/20/318135320.db2.gz IPBWEAHSVQPTKG-QGZVFWFLSA-N 1 3 324.896 2.955 20 0 DFADHO CC(C)[NH2+]CCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000576986496 318163934 /nfs/dbraw/zinc/16/39/34/318163934.db2.gz QHXOXHLSEBEMKM-UHFFFAOYSA-N 1 3 317.433 2.612 20 0 DFADHO C[NH+](C)CC[C@H](NC[C@H](O)Cc1ccc(F)cc1)C(C)(C)C ZINC000577054820 318168040 /nfs/dbraw/zinc/16/80/40/318168040.db2.gz FGBZGAQCSLOTCI-SJORKVTESA-N 1 3 310.457 2.685 20 0 DFADHO Cc1ccc(C[NH2+]CCCCN2CCN(C)CC2)c(Cl)c1 ZINC000577225821 318179570 /nfs/dbraw/zinc/17/95/70/318179570.db2.gz YXDSSAOTFSCTSJ-UHFFFAOYSA-N 1 3 309.885 2.766 20 0 DFADHO CCc1ccc([C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000577363131 318187842 /nfs/dbraw/zinc/18/78/42/318187842.db2.gz YJHOKZXJVGGLBJ-IPELMVKDSA-N 1 3 303.494 2.829 20 0 DFADHO C[N@H+](CCCNC[C@H](O)Cc1ccccc1)Cc1ccccc1 ZINC000577500434 318197431 /nfs/dbraw/zinc/19/74/31/318197431.db2.gz JEOQXZHVCWXDER-HXUWFJFHSA-N 1 3 312.457 2.702 20 0 DFADHO C[N@@H+](CCCNC[C@H](O)Cc1ccccc1)Cc1ccccc1 ZINC000577500434 318197433 /nfs/dbraw/zinc/19/74/33/318197433.db2.gz JEOQXZHVCWXDER-HXUWFJFHSA-N 1 3 312.457 2.702 20 0 DFADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC(CC[NH3+])CC1 ZINC000577520212 318199282 /nfs/dbraw/zinc/19/92/82/318199282.db2.gz UJXRGPWKRQTUQV-UHFFFAOYSA-N 1 3 316.424 2.881 20 0 DFADHO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCCNC1 ZINC000578314060 318251849 /nfs/dbraw/zinc/25/18/49/318251849.db2.gz WZNFWCGAIRTHJS-HZPDHXFCSA-N 1 3 320.452 2.852 20 0 DFADHO C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCNC1 ZINC000578433957 318260511 /nfs/dbraw/zinc/26/05/11/318260511.db2.gz RPSCRDDDPNMZFA-DZGCQCFKSA-N 1 3 321.431 2.629 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000578523658 318267219 /nfs/dbraw/zinc/26/72/19/318267219.db2.gz KKFDINKARDKPEK-MNOVXSKESA-N 1 3 300.244 2.835 20 0 DFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)[N@@H+]1CCCC[C@H]1C ZINC000578728037 318280832 /nfs/dbraw/zinc/28/08/32/318280832.db2.gz WSTVETUAIOCIJS-KGLIPLIRSA-N 1 3 316.449 2.674 20 0 DFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)[N@H+]1CCCC[C@H]1C ZINC000578728037 318280835 /nfs/dbraw/zinc/28/08/35/318280835.db2.gz WSTVETUAIOCIJS-KGLIPLIRSA-N 1 3 316.449 2.674 20 0 DFADHO NC[C@H]([NH2+][C@@H]1CCN[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000578858304 318290241 /nfs/dbraw/zinc/29/02/41/318290241.db2.gz IABLDBMDVVYPKV-QYZOEREBSA-N 1 3 301.478 2.977 20 0 DFADHO C[C@@H](c1ccccc1)[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000578981621 318299598 /nfs/dbraw/zinc/29/95/98/318299598.db2.gz PSCGQSYIIJUYGS-BYUNMRKYSA-N 1 3 302.462 2.756 20 0 DFADHO C[C@@H](c1ccccc1)[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000578981621 318299600 /nfs/dbraw/zinc/29/96/00/318299600.db2.gz PSCGQSYIIJUYGS-BYUNMRKYSA-N 1 3 302.462 2.756 20 0 DFADHO Cc1noc(C2CCC(NC[C@@H]3[NH2+]CCCC3(C)C)CC2)n1 ZINC000579342472 318323737 /nfs/dbraw/zinc/32/37/37/318323737.db2.gz MMHBMZXNKRYJMJ-NRXISQOPSA-N 1 3 306.454 2.772 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000579613341 318343491 /nfs/dbraw/zinc/34/34/91/318343491.db2.gz MCBPVFUYNZPOOI-CHWSQXEVSA-N 1 3 309.841 2.837 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000579613341 318343492 /nfs/dbraw/zinc/34/34/92/318343492.db2.gz MCBPVFUYNZPOOI-CHWSQXEVSA-N 1 3 309.841 2.837 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000579613342 318343515 /nfs/dbraw/zinc/34/35/15/318343515.db2.gz MCBPVFUYNZPOOI-OLZOCXBDSA-N 1 3 309.841 2.837 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000579613342 318343517 /nfs/dbraw/zinc/34/35/17/318343517.db2.gz MCBPVFUYNZPOOI-OLZOCXBDSA-N 1 3 309.841 2.837 20 0 DFADHO c1ccc(CN2CC[C@H]([NH2+]CCCN3CCC3)CC23CC3)cc1 ZINC000579852125 318358765 /nfs/dbraw/zinc/35/87/65/318358765.db2.gz CAWAPMNPWLGPEB-IBGZPJMESA-N 1 3 313.489 2.869 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC000580024934 318369220 /nfs/dbraw/zinc/36/92/20/318369220.db2.gz MWHLUADIMABQFV-MRXNPFEDSA-N 1 3 319.493 2.989 20 0 DFADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000580168832 318380602 /nfs/dbraw/zinc/38/06/02/318380602.db2.gz MMUVJXXRMMWEIL-IJEWVQPXSA-N 1 3 300.450 2.991 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)CN(C)C ZINC000381878653 323295739 /nfs/dbraw/zinc/29/57/39/323295739.db2.gz NYBGBNGDPYVCDJ-KFWWJZLASA-N 1 3 313.486 2.610 20 0 DFADHO CCCN(CCN[C@@H]1CC[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000382842210 323303504 /nfs/dbraw/zinc/30/35/04/323303504.db2.gz WFLKPCIRMMRURK-HUUCEWRRSA-N 1 3 313.486 2.563 20 0 DFADHO CCCN(CCN[C@@H]1CC[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000382842210 323303506 /nfs/dbraw/zinc/30/35/06/323303506.db2.gz WFLKPCIRMMRURK-HUUCEWRRSA-N 1 3 313.486 2.563 20 0 DFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000387611317 323326523 /nfs/dbraw/zinc/32/65/23/323326523.db2.gz YUJWNXPMLXPABT-MRXNPFEDSA-N 1 3 321.465 2.590 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000390913343 323343645 /nfs/dbraw/zinc/34/36/45/323343645.db2.gz ZSWMDLXHXAROBY-MAUKXSAKSA-N 1 3 317.477 2.500 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000397516366 323355206 /nfs/dbraw/zinc/35/52/06/323355206.db2.gz SDFODMXSBPLAIY-CZVCLPBNSA-N 1 3 306.494 2.638 20 0 DFADHO Cn1cc([C@@H](NC[C@H]2CC[C@H](C[NH3+])CC2)c2ccccc2)cn1 ZINC000580302286 323367191 /nfs/dbraw/zinc/36/71/91/323367191.db2.gz GKWWXURXNLWWDT-BXWFABGCSA-N 1 3 312.461 2.864 20 0 DFADHO CN(C)Cc1ccccc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000581047413 323467630 /nfs/dbraw/zinc/46/76/30/323467630.db2.gz TZDUZHOREMQZKR-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO C[C@@H](O)[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000584286796 332213683 /nfs/dbraw/zinc/21/36/83/332213683.db2.gz IAHDGAMUCICTCG-ZIAGYGMSSA-N 1 3 310.869 2.911 20 0 DFADHO CC(C)(C)OC(=O)N1C2CCC1CC([NH2+]C1CC(O)C1(C)C)C2 ZINC000182683722 337189519 /nfs/dbraw/zinc/18/95/19/337189519.db2.gz PQKXFGHPYQGSKL-AJNGGQMLSA-N 1 3 324.465 2.666 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378691 337233024 /nfs/dbraw/zinc/23/30/24/337233024.db2.gz UBKDAELLZZCJSH-WMLDXEAASA-N 1 3 316.474 2.850 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378691 337233025 /nfs/dbraw/zinc/23/30/25/337233025.db2.gz UBKDAELLZZCJSH-WMLDXEAASA-N 1 3 316.474 2.850 20 0 DFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378691 337233026 /nfs/dbraw/zinc/23/30/26/337233026.db2.gz UBKDAELLZZCJSH-WMLDXEAASA-N 1 3 316.474 2.850 20 0 DFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378691 337233027 /nfs/dbraw/zinc/23/30/27/337233027.db2.gz UBKDAELLZZCJSH-WMLDXEAASA-N 1 3 316.474 2.850 20 0 DFADHO C[C@@H]1CCN(CCCc2nc(-c3cccs3)no2)C[C@H]1C[NH3+] ZINC000318004466 534032262 /nfs/dbraw/zinc/03/22/62/534032262.db2.gz GWIWZSAYEDEGOT-CHWSQXEVSA-N 1 3 320.462 2.647 20 0 DFADHO CCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cn1 ZINC000367617427 520371430 /nfs/dbraw/zinc/37/14/30/520371430.db2.gz NECVRNCQLGEGHM-BBWFWOEESA-N 1 3 303.450 2.833 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000154527796 521679808 /nfs/dbraw/zinc/67/98/08/521679808.db2.gz JEXXGUZJXOSTIJ-MRXNPFEDSA-N 1 3 307.457 2.894 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000366329614 522364846 /nfs/dbraw/zinc/36/48/46/522364846.db2.gz YUSVJDCWICSSHU-NRLXWARBSA-N 1 3 323.525 2.861 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](c1ccco1)N1CCCC1 ZINC000249298950 524915314 /nfs/dbraw/zinc/91/53/14/524915314.db2.gz FSBUCLVCWARCHR-QBPKDAKJSA-N 1 3 305.466 2.735 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](c1ccco1)N1CCCC1 ZINC000249298950 524915324 /nfs/dbraw/zinc/91/53/24/524915324.db2.gz FSBUCLVCWARCHR-QBPKDAKJSA-N 1 3 305.466 2.735 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000249298950 524915333 /nfs/dbraw/zinc/91/53/33/524915333.db2.gz FSBUCLVCWARCHR-QBPKDAKJSA-N 1 3 305.466 2.735 20 0 DFADHO CCCN1CCC[C@H]1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000361194957 534903549 /nfs/dbraw/zinc/90/35/49/534903549.db2.gz DWZOSZMIGABSGN-KRWDZBQOSA-N 1 3 303.450 2.870 20 0 DFADHO CC(C)(C)NC(=[NH2+])NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309765096 526300489 /nfs/dbraw/zinc/30/04/89/526300489.db2.gz ZGNRCFKVVXGMFN-INIZCTEOSA-N 1 3 302.466 2.811 20 0 DFADHO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)c1 ZINC000315478637 527085436 /nfs/dbraw/zinc/08/54/36/527085436.db2.gz KXKBPBANJCDEJF-KKXDTOCCSA-N 1 3 301.434 2.922 20 0 DFADHO Cn1cc(CCC[NH2+]C2CCN(C3CCCCC3)CC2)cn1 ZINC000158210300 527187386 /nfs/dbraw/zinc/18/73/86/527187386.db2.gz LJEWEGXJMBOZNX-UHFFFAOYSA-N 1 3 304.482 2.739 20 0 DFADHO Cn1cc(CCCNC2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000158210300 527187391 /nfs/dbraw/zinc/18/73/91/527187391.db2.gz LJEWEGXJMBOZNX-UHFFFAOYSA-N 1 3 304.482 2.739 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000294841138 527832310 /nfs/dbraw/zinc/83/23/10/527832310.db2.gz BDQZWWKPNUEVSB-QRQLOZEOSA-N 1 3 304.478 2.906 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000294841138 527832313 /nfs/dbraw/zinc/83/23/13/527832313.db2.gz BDQZWWKPNUEVSB-QRQLOZEOSA-N 1 3 304.478 2.906 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1 ZINC000299609914 528002007 /nfs/dbraw/zinc/00/20/07/528002007.db2.gz OEQURTMKVJSMOZ-OAHLLOKOSA-N 1 3 305.466 2.598 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1 ZINC000299609914 528002012 /nfs/dbraw/zinc/00/20/12/528002012.db2.gz OEQURTMKVJSMOZ-OAHLLOKOSA-N 1 3 305.466 2.598 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)cc1 ZINC000295002582 528145134 /nfs/dbraw/zinc/14/51/34/528145134.db2.gz IGXFZPBSJCTRTE-KSZLIROESA-N 1 3 317.477 2.560 20 0 DFADHO CC1CC[NH+](CCCNC(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000319001056 528240263 /nfs/dbraw/zinc/24/02/63/528240263.db2.gz MWFPCLFELUTWOQ-QGZVFWFLSA-N 1 3 309.498 2.522 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000294997692 528556243 /nfs/dbraw/zinc/55/62/43/528556243.db2.gz IBLCWWLJNOXMLC-JFIYKMOQSA-N 1 3 317.477 2.544 20 0 DFADHO CC1(C)CC[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000294920972 529028628 /nfs/dbraw/zinc/02/86/28/529028628.db2.gz BLQVRXMZPXZMRJ-QZTJIDSGSA-N 1 3 302.462 2.922 20 0 DFADHO CC[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C(C)(C)O ZINC000294859704 529200491 /nfs/dbraw/zinc/20/04/91/529200491.db2.gz BWTVXMYVFJFYOZ-WMLDXEAASA-N 1 3 308.466 2.827 20 0 DFADHO CC(C)N(C)c1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cn1 ZINC000262042998 535026717 /nfs/dbraw/zinc/02/67/17/535026717.db2.gz YMVSUTVHVMDZKE-GOSISDBHSA-N 1 3 316.493 2.890 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CCCCC1 ZINC000354809737 535137538 /nfs/dbraw/zinc/13/75/38/535137538.db2.gz IVSZEMXJSAKLOV-ROUUACIJSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CCCCC1 ZINC000354809737 535137541 /nfs/dbraw/zinc/13/75/41/535137541.db2.gz IVSZEMXJSAKLOV-ROUUACIJSA-N 1 3 323.525 2.734 20 0 DFADHO CCN1CC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000246298447 535768071 /nfs/dbraw/zinc/76/80/71/535768071.db2.gz CXQYCXXTEUXKST-LPHOPBHVSA-N 1 3 316.493 2.618 20 0 DFADHO CC(C)[C@H](C)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000682072471 545789051 /nfs/dbraw/zinc/78/90/51/545789051.db2.gz RSVQZFKQSARGBL-KRWDZBQOSA-N 1 3 319.493 2.794 20 0 DFADHO CC(C)[C@@H](C)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000682072473 545789410 /nfs/dbraw/zinc/78/94/10/545789410.db2.gz RSVQZFKQSARGBL-QGZVFWFLSA-N 1 3 319.493 2.794 20 0 DFADHO C[C@H]1CSCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000683109968 545973450 /nfs/dbraw/zinc/97/34/50/545973450.db2.gz VJPBEZNBOVDXOJ-OAHLLOKOSA-N 1 3 308.491 2.812 20 0 DFADHO C[C@H]1CSCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000683109968 545973453 /nfs/dbraw/zinc/97/34/53/545973453.db2.gz VJPBEZNBOVDXOJ-OAHLLOKOSA-N 1 3 308.491 2.812 20 0 DFADHO CCN(CC)CCC[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000683141660 545978282 /nfs/dbraw/zinc/97/82/82/545978282.db2.gz PXVKRIBWXKHRJT-ROUUACIJSA-N 1 3 301.478 2.787 20 0 DFADHO C[C@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)CCS1 ZINC000683164602 545983068 /nfs/dbraw/zinc/98/30/68/545983068.db2.gz LMGUFTQFCCKDGF-HNNXBMFYSA-N 1 3 308.491 2.954 20 0 DFADHO C[C@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)CCS1 ZINC000683164602 545983069 /nfs/dbraw/zinc/98/30/69/545983069.db2.gz LMGUFTQFCCKDGF-HNNXBMFYSA-N 1 3 308.491 2.954 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)[C@H]1CCc2ccccc21 ZINC000683783973 546094688 /nfs/dbraw/zinc/09/46/88/546094688.db2.gz AEEDJRAIVMVJJB-IBGZPJMESA-N 1 3 301.478 2.632 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)[C@H]1CCc2ccccc21 ZINC000683783973 546094690 /nfs/dbraw/zinc/09/46/90/546094690.db2.gz AEEDJRAIVMVJJB-IBGZPJMESA-N 1 3 301.478 2.632 20 0 DFADHO CN1CCC[C@H]1[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000683848384 546108204 /nfs/dbraw/zinc/10/82/04/546108204.db2.gz OWLVIJZNBBLWQB-IRXDYDNUSA-N 1 3 321.509 2.584 20 0 DFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683929644 546121967 /nfs/dbraw/zinc/12/19/67/546121967.db2.gz URTDPBGDNJPNIW-RBUKOAKNSA-N 1 3 313.445 2.635 20 0 DFADHO C[NH+](C)CCc1ccccc1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000275919453 282115379 /nfs/dbraw/zinc/11/53/79/282115379.db2.gz UKMNXDDUQDJQIV-GOSISDBHSA-N 1 3 315.461 2.604 20 0 DFADHO CCC[C@@H](N)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000164558571 197656839 /nfs/dbraw/zinc/65/68/39/197656839.db2.gz BYGVXRQUXIUJRI-QGZVFWFLSA-N 1 3 303.450 2.984 20 0 DFADHO C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N(C)C ZINC000278624035 214283577 /nfs/dbraw/zinc/28/35/77/214283577.db2.gz GLBOTTQYLKHEDJ-DSLXNQLJSA-N 1 3 301.478 2.722 20 0 DFADHO CC[C@H](CO)N1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302061276 529388063 /nfs/dbraw/zinc/38/80/63/529388063.db2.gz CJPZCFMJNGPIMQ-MRXNPFEDSA-N 1 3 313.445 2.745 20 0 DFADHO Cc1[nH+]ccc(NC[C@@H](C(C)C)N2CCN(C)CC2)c1Cl ZINC000314877005 231134512 /nfs/dbraw/zinc/13/45/12/231134512.db2.gz LAMYNOQOHYKBOV-HNNXBMFYSA-N 1 3 310.873 2.727 20 0 DFADHO Cc1ccc(C)c(OCCN2CCC(OCCC[NH3+])CC2)c1 ZINC000317205145 231158124 /nfs/dbraw/zinc/15/81/24/231158124.db2.gz KAXOUKFSCXFZBM-UHFFFAOYSA-N 1 3 306.450 2.512 20 0 DFADHO NC[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000328320491 231229974 /nfs/dbraw/zinc/22/99/74/231229974.db2.gz DQJKPVVOBKKLCL-CABCVRRESA-N 1 3 316.367 2.630 20 0 DFADHO NC[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000328320491 231229978 /nfs/dbraw/zinc/22/99/78/231229978.db2.gz DQJKPVVOBKKLCL-CABCVRRESA-N 1 3 316.367 2.630 20 0 DFADHO [NH3+]C[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000328320491 231229981 /nfs/dbraw/zinc/22/99/81/231229981.db2.gz DQJKPVVOBKKLCL-CABCVRRESA-N 1 3 316.367 2.630 20 0 DFADHO CC(C)C[C@@H](CN(C)C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000236754178 398364664 /nfs/dbraw/zinc/36/46/64/398364664.db2.gz HFXKTWMOHYGHHQ-IRXDYDNUSA-N 1 3 305.466 2.559 20 0 DFADHO CC(C)C[C@H](CN(C)C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000236753284 398364700 /nfs/dbraw/zinc/36/47/00/398364700.db2.gz HFXKTWMOHYGHHQ-SJORKVTESA-N 1 3 305.466 2.559 20 0 DFADHO CCCC[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038733 185279128 /nfs/dbraw/zinc/27/91/28/185279128.db2.gz RKXOLKMVUBTHFA-HNNXBMFYSA-N 1 3 305.466 2.646 20 0 DFADHO Cc1ccc2ncc(CN3CCC(CC[NH+](C)C)CC3)n2c1 ZINC000092381394 185314621 /nfs/dbraw/zinc/31/46/21/185314621.db2.gz VICZMMNPHGYIPX-UHFFFAOYSA-N 1 3 300.450 2.806 20 0 DFADHO Cc1ccc([C@@H](C[NH2+]C2CCN(C3CC3)CC2)N2CCCC2)o1 ZINC000459458038 299111591 /nfs/dbraw/zinc/11/15/91/299111591.db2.gz FCHUYHBMJQIEBK-GOSISDBHSA-N 1 3 317.477 2.941 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)N2CCCCC2)[C@@H]1SC ZINC000459480564 299117245 /nfs/dbraw/zinc/11/72/45/299117245.db2.gz LWMKNYWZNUWGSA-JONQDZQNSA-N 1 3 300.512 2.750 20 0 DFADHO C[C@H]([NH2+]C1CCC(O)CC1)c1ccc(OCCN(C)C)cc1 ZINC000090800260 398492735 /nfs/dbraw/zinc/49/27/35/398492735.db2.gz HCSHMDQYWWBFFJ-OOHWJJMZSA-N 1 3 306.450 2.581 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)N(C)C ZINC000592840077 398494315 /nfs/dbraw/zinc/49/43/15/398494315.db2.gz IFIURBDHNNNIJS-GOSISDBHSA-N 1 3 323.525 2.687 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)N(C)C ZINC000592840080 398494376 /nfs/dbraw/zinc/49/43/76/398494376.db2.gz IFIURBDHNNNIJS-SFHVURJKSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272690133 210094964 /nfs/dbraw/zinc/09/49/64/210094964.db2.gz VOWCSDBGUZZXBK-ZHALLVOQSA-N 1 3 303.494 2.827 20 0 DFADHO CC(C)[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000091333572 398526388 /nfs/dbraw/zinc/52/63/88/398526388.db2.gz SPYLXBOILFWUTC-ROUUACIJSA-N 1 3 317.477 2.561 20 0 DFADHO CC(C)[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000091333572 398526393 /nfs/dbraw/zinc/52/63/93/398526393.db2.gz SPYLXBOILFWUTC-ROUUACIJSA-N 1 3 317.477 2.561 20 0 DFADHO CC(C)[C@H](CO)[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)C ZINC000459576967 299138748 /nfs/dbraw/zinc/13/87/48/299138748.db2.gz LMFSALNCGYPLEC-OALUTQOASA-N 1 3 319.493 2.929 20 0 DFADHO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000414145498 295771906 /nfs/dbraw/zinc/77/19/06/295771906.db2.gz NYKPZGZICWBLIM-QILLFSRXSA-N 1 3 306.450 2.845 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000321559096 398553238 /nfs/dbraw/zinc/55/32/38/398553238.db2.gz FYMKLRHGWROIDU-GOSISDBHSA-N 1 3 317.477 2.655 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000321559096 398553242 /nfs/dbraw/zinc/55/32/42/398553242.db2.gz FYMKLRHGWROIDU-GOSISDBHSA-N 1 3 317.477 2.655 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000139834031 186024800 /nfs/dbraw/zinc/02/48/00/186024800.db2.gz RBNYWZUHCKAIMQ-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000139834031 186024802 /nfs/dbraw/zinc/02/48/02/186024802.db2.gz RBNYWZUHCKAIMQ-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000139834031 186024803 /nfs/dbraw/zinc/02/48/03/186024803.db2.gz RBNYWZUHCKAIMQ-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000139834031 186024805 /nfs/dbraw/zinc/02/48/05/186024805.db2.gz RBNYWZUHCKAIMQ-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO CC(C)n1ncc2cc(C[N@H+](C)C[C@@H]3CCCN(C)C3)cnc21 ZINC000152493547 186078787 /nfs/dbraw/zinc/07/87/87/186078787.db2.gz WOXQHKQQAXYUQS-OAHLLOKOSA-N 1 3 315.465 2.786 20 0 DFADHO CC(C)n1ncc2cc(C[N@@H+](C)C[C@@H]3CCCN(C)C3)cnc21 ZINC000152493547 186078789 /nfs/dbraw/zinc/07/87/89/186078789.db2.gz WOXQHKQQAXYUQS-OAHLLOKOSA-N 1 3 315.465 2.786 20 0 DFADHO CCN(CC[NH2+]C1CCN(CCc2ccccc2)CC1)C1CC1 ZINC000155839625 186116908 /nfs/dbraw/zinc/11/69/08/186116908.db2.gz YNUFUXSGZCNURS-UHFFFAOYSA-N 1 3 315.505 2.767 20 0 DFADHO CC[C@@H](C)[C@H](O)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000163936793 186142708 /nfs/dbraw/zinc/14/27/08/186142708.db2.gz DKPBXZSLYSOBQP-RVKKMQEKSA-N 1 3 308.466 2.685 20 0 DFADHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1C ZINC000194267964 186274803 /nfs/dbraw/zinc/27/48/03/186274803.db2.gz UGFZDEHGIABEMH-CALCHBBNSA-N 1 3 320.477 2.983 20 0 DFADHO C[C@@H]1C[C@H](CN2CCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414677341 295814852 /nfs/dbraw/zinc/81/48/52/295814852.db2.gz IZARNXULWRBIKM-NVXWUHKLSA-N 1 3 321.896 2.846 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000268746026 186376189 /nfs/dbraw/zinc/37/61/89/186376189.db2.gz ASPFXPKJBZQZGK-SXLOBPIMSA-N 1 3 315.505 2.828 20 0 DFADHO CCN1CCC[C@@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268754007 186379813 /nfs/dbraw/zinc/37/98/13/186379813.db2.gz YVZKTEUGQFDVQA-RLLQIKCJSA-N 1 3 315.505 2.971 20 0 DFADHO COc1cc(CNCC[C@@H]2CCC[N@H+](C)C2)cc(OC)c1OC ZINC000459732769 299175516 /nfs/dbraw/zinc/17/55/16/299175516.db2.gz MWMWSOYVBUEJOS-AWEZNQCLSA-N 1 3 322.449 2.534 20 0 DFADHO COc1cc(CNCC[C@@H]2CCC[N@@H+](C)C2)cc(OC)c1OC ZINC000459732769 299175517 /nfs/dbraw/zinc/17/55/17/299175517.db2.gz MWMWSOYVBUEJOS-AWEZNQCLSA-N 1 3 322.449 2.534 20 0 DFADHO COc1cc(OC)c(OC)cc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459735001 299176629 /nfs/dbraw/zinc/17/66/29/299176629.db2.gz PGZZMZJMUNHSMO-AWEZNQCLSA-N 1 3 322.449 2.534 20 0 DFADHO COc1cc(OC)c(OC)cc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459735001 299176630 /nfs/dbraw/zinc/17/66/30/299176630.db2.gz PGZZMZJMUNHSMO-AWEZNQCLSA-N 1 3 322.449 2.534 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(Br)cn2)C1 ZINC000459737430 299177560 /nfs/dbraw/zinc/17/75/60/299177560.db2.gz RFWCNUSTIUKODV-GFCCVEGCSA-N 1 3 312.255 2.666 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2ccc(Br)cn2)C1 ZINC000459737430 299177562 /nfs/dbraw/zinc/17/75/62/299177562.db2.gz RFWCNUSTIUKODV-GFCCVEGCSA-N 1 3 312.255 2.666 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414849735 295825878 /nfs/dbraw/zinc/82/58/78/295825878.db2.gz YLCDAJNYGLYTCU-GJZGRUSLSA-N 1 3 305.466 2.972 20 0 DFADHO C[C@@H](CC[NH3+])NCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414901098 295832289 /nfs/dbraw/zinc/83/22/89/295832289.db2.gz WUNBYQBTWGCMDK-JTQLQIEISA-N 1 3 312.339 2.922 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NCC[C@H]2CCC[NH2+]2)c(C)c1 ZINC000414903679 295832845 /nfs/dbraw/zinc/83/28/45/295832845.db2.gz KIULCWULKGDXAW-JKSUJKDBSA-N 1 3 303.450 2.752 20 0 DFADHO C[C@H]1NCCC[C@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414955262 295840240 /nfs/dbraw/zinc/84/02/40/295840240.db2.gz ODLRCEIKJYEYNE-DNVCBOLYSA-N 1 3 319.468 2.563 20 0 DFADHO CCC[NH+]1CCC(N(C)CCc2ccc3c(c2)CCO3)CC1 ZINC000072630389 191205213 /nfs/dbraw/zinc/20/52/13/191205213.db2.gz DKFJRNRDFPGUNO-UHFFFAOYSA-N 1 3 302.462 2.970 20 0 DFADHO [NH3+][C@H]1CCC[C@H](CNCc2cc(O)ccc2Br)C1 ZINC000414991755 295844653 /nfs/dbraw/zinc/84/46/53/295844653.db2.gz JPRBVRPLTCQQEK-JQWIXIFHSA-N 1 3 313.239 2.762 20 0 DFADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@H]2CCCOCC2)cc1 ZINC000414993128 295844868 /nfs/dbraw/zinc/84/48/68/295844868.db2.gz CDXNNYDGAKSFKV-NJAFHUGGSA-N 1 3 306.425 2.678 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000182053177 199380028 /nfs/dbraw/zinc/38/00/28/199380028.db2.gz RSGSDLDTKZOUOV-IBGZPJMESA-N 1 3 317.521 2.873 20 0 DFADHO COc1ccc(C(C)(C)CN[C@@H](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000415074677 295854625 /nfs/dbraw/zinc/85/46/25/295854625.db2.gz DCNIJZWVPGFVIY-UONOGXRCSA-N 1 3 306.450 2.569 20 0 DFADHO CC(C)[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000415081285 295855655 /nfs/dbraw/zinc/85/56/55/295855655.db2.gz MOOJNLQGPSAOIV-KDOFPFPSSA-N 1 3 304.434 2.744 20 0 DFADHO COc1ccc2c(c1)OC[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000415117613 295860187 /nfs/dbraw/zinc/86/01/87/295860187.db2.gz VTDUQVYXABDFMG-NRSFXHEJSA-N 1 3 316.445 2.509 20 0 DFADHO C[C@@H]1CCC[C@@H]1[NH2+]CC1(N)CCN(Cc2ccccc2)CC1 ZINC000415132672 295862736 /nfs/dbraw/zinc/86/27/36/295862736.db2.gz LLJRFMBBQOWAJS-AEFFLSMTSA-N 1 3 301.478 2.758 20 0 DFADHO CCN(CC)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000292186222 222894107 /nfs/dbraw/zinc/89/41/07/222894107.db2.gz XDCITQQLLJWIDH-HZPDHXFCSA-N 1 3 323.506 2.779 20 0 DFADHO CNCc1ccccc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000415903206 295900243 /nfs/dbraw/zinc/90/02/43/295900243.db2.gz PYMJHUDISXOPJD-UHFFFAOYSA-N 1 3 318.465 2.790 20 0 DFADHO CC(C)[C@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000114729012 398746849 /nfs/dbraw/zinc/74/68/49/398746849.db2.gz VXCSSCXULVYGCK-KRWDZBQOSA-N 1 3 323.525 2.734 20 0 DFADHO CC[NH+]1CCC(CCNC(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000236852186 202037968 /nfs/dbraw/zinc/03/79/68/202037968.db2.gz GRVMVOPYLPFSPE-CRAIPNDOSA-N 1 3 317.477 2.561 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)CC2CC[NH2+]CC2)c1 ZINC000236928015 202075233 /nfs/dbraw/zinc/07/52/33/202075233.db2.gz DBFAQXFJJVZBQL-UHFFFAOYSA-N 1 3 303.450 2.857 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000236929092 202077084 /nfs/dbraw/zinc/07/70/84/202077084.db2.gz BBKRLNJZVXZULS-SFHVURJKSA-N 1 3 303.450 2.857 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000236969631 202100559 /nfs/dbraw/zinc/10/05/59/202100559.db2.gz LNUAXVSODHIPPU-MAUKXSAKSA-N 1 3 317.477 2.805 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236969631 202100563 /nfs/dbraw/zinc/10/05/63/202100563.db2.gz LNUAXVSODHIPPU-MAUKXSAKSA-N 1 3 317.477 2.805 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000237019385 202123331 /nfs/dbraw/zinc/12/33/31/202123331.db2.gz BCRGVLBXZQIKNC-OTBWCIGPSA-N 1 3 309.498 2.519 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000236985406 202109224 /nfs/dbraw/zinc/10/92/24/202109224.db2.gz ZQYPNMLDCGTSTH-RHSMWYFYSA-N 1 3 305.466 2.518 20 0 DFADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H](N)C(C)(C)C)cc21 ZINC000236989707 202110766 /nfs/dbraw/zinc/11/07/66/202110766.db2.gz SMJXTOCWXORUPD-MRXNPFEDSA-N 1 3 316.449 2.515 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000236987988 202111112 /nfs/dbraw/zinc/11/11/12/202111112.db2.gz UCWPVIZREFLWJN-PBHICJAKSA-N 1 3 303.450 2.637 20 0 DFADHO CCC[NH+]1CCC(NC[C@@H](c2cccc(OC)c2)N(C)C)CC1 ZINC000121606456 398788344 /nfs/dbraw/zinc/78/83/44/398788344.db2.gz CRCZOVJVLMQZNN-IBGZPJMESA-N 1 3 319.493 2.762 20 0 DFADHO CCCN1CCC([NH2+]C[C@@H](c2cccc(OC)c2)N(C)C)CC1 ZINC000121606456 398788348 /nfs/dbraw/zinc/78/83/48/398788348.db2.gz CRCZOVJVLMQZNN-IBGZPJMESA-N 1 3 319.493 2.762 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000247278063 283208458 /nfs/dbraw/zinc/20/84/58/283208458.db2.gz FUFNWKRXOFPPLP-DLBZAZTESA-N 1 3 311.514 2.830 20 0 DFADHO CC(C)c1ccc(CC[NH+]2CCC(N(C)CCO)CC2)cc1 ZINC000137595246 283253530 /nfs/dbraw/zinc/25/35/30/283253530.db2.gz MAMISNQONDABMV-UHFFFAOYSA-N 1 3 304.478 2.741 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CC1=CCN(C)CC1)CCC2 ZINC000594515484 398814539 /nfs/dbraw/zinc/81/45/39/398814539.db2.gz VQUPVKOUMOPIJD-SFHVURJKSA-N 1 3 314.429 2.702 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)[C@H](C)C1 ZINC000152268207 283315787 /nfs/dbraw/zinc/31/57/87/283315787.db2.gz VVWAOTHNHAUGER-IKGGRYGDSA-N 1 3 305.466 2.736 20 0 DFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NC[C@@H]2CCCO2)C3)cc1 ZINC000180104623 199117968 /nfs/dbraw/zinc/11/79/68/199117968.db2.gz ZIVJNZVFJWCHRS-IPQPSQTFSA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(NC[C@@H]2CCCO2)C3)cc1 ZINC000180104623 199117969 /nfs/dbraw/zinc/11/79/69/199117969.db2.gz ZIVJNZVFJWCHRS-IPQPSQTFSA-N 1 3 300.446 2.951 20 0 DFADHO CCC[C@@]1(C)CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000076145535 398843935 /nfs/dbraw/zinc/84/39/35/398843935.db2.gz FWRVVKOEJYUOEH-IBGZPJMESA-N 1 3 323.525 2.878 20 0 DFADHO CC[C@@H](N)C(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000130512552 398845787 /nfs/dbraw/zinc/84/57/87/398845787.db2.gz QLUHTUXOQHUNTH-GDBMZVCRSA-N 1 3 305.466 2.750 20 0 DFADHO COC(=O)c1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000594736039 398852436 /nfs/dbraw/zinc/85/24/36/398852436.db2.gz OCOGJDPXZBEGCZ-GOSISDBHSA-N 1 3 316.445 2.685 20 0 DFADHO COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C)N(C)C ZINC000153297998 283361394 /nfs/dbraw/zinc/36/13/94/283361394.db2.gz ILFJPMSITMIPFP-ATLSCFEFSA-N 1 3 319.493 2.616 20 0 DFADHO CC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccccc1F ZINC000180712320 199200346 /nfs/dbraw/zinc/20/03/46/199200346.db2.gz HUSKSVQUVGBMQJ-GOSISDBHSA-N 1 3 307.457 2.892 20 0 DFADHO CCc1oc(C(=O)OC)cc1CN1CCC(CC[NH+](C)C)CC1 ZINC000177201665 283427852 /nfs/dbraw/zinc/42/78/52/283427852.db2.gz RJRACIALZCRILW-UHFFFAOYSA-N 1 3 322.449 2.792 20 0 DFADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)cn1 ZINC000274861348 299289510 /nfs/dbraw/zinc/28/95/10/299289510.db2.gz CYMAKXALPJSOIU-ZFWWWQNUSA-N 1 3 311.857 2.623 20 0 DFADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cn1 ZINC000274861348 299289513 /nfs/dbraw/zinc/28/95/13/299289513.db2.gz CYMAKXALPJSOIU-ZFWWWQNUSA-N 1 3 311.857 2.623 20 0 DFADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187281867 200088681 /nfs/dbraw/zinc/08/86/81/200088681.db2.gz JETVFMNUHRJOKG-IRXDYDNUSA-N 1 3 315.461 2.558 20 0 DFADHO COC(=O)CC1CCC([NH2+]CC[C@H](C)N2CCCCC2)CC1 ZINC000599046001 398912558 /nfs/dbraw/zinc/91/25/58/398912558.db2.gz VEGFDFGRVBQLCI-GTPINHCMSA-N 1 3 310.482 2.962 20 0 DFADHO C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)CN1Cc1ccccc1 ZINC000237591382 202294628 /nfs/dbraw/zinc/29/46/28/202294628.db2.gz CDRGRKDFEZUIRS-BEFAXECRSA-N 1 3 323.440 2.538 20 0 DFADHO C[C@@H](C[C@@H]1COCCN1)[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000261949436 296000860 /nfs/dbraw/zinc/00/08/60/296000860.db2.gz WBVHBAGDCQXKLX-ZWKOTPCHSA-N 1 3 323.525 2.532 20 0 DFADHO C[C@@H](C[C@@H]1COCCN1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000261949436 296000861 /nfs/dbraw/zinc/00/08/61/296000861.db2.gz WBVHBAGDCQXKLX-ZWKOTPCHSA-N 1 3 323.525 2.532 20 0 DFADHO C[C@H]([NH2+][C@H](CO)CC1CCC1)c1cccc(OCCN(C)C)c1 ZINC000281155360 216117162 /nfs/dbraw/zinc/11/71/62/216117162.db2.gz OTTVRMWAVMGOTJ-YJBOKZPZSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000417399575 296016862 /nfs/dbraw/zinc/01/68/62/296016862.db2.gz ILNOOIMMGNRGGH-WAPOTWQKSA-N 1 3 314.473 2.933 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000417399575 296016865 /nfs/dbraw/zinc/01/68/65/296016865.db2.gz ILNOOIMMGNRGGH-WAPOTWQKSA-N 1 3 314.473 2.933 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@@H](C)C2CCCCC2)CC1 ZINC000447387887 297302584 /nfs/dbraw/zinc/30/25/84/297302584.db2.gz VHGZCRYTHPFTTH-INIZCTEOSA-N 1 3 323.525 2.876 20 0 DFADHO C[NH2+]Cc1cccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)c1 ZINC000269123595 283609683 /nfs/dbraw/zinc/60/96/83/283609683.db2.gz ABJMCKWRDIHREK-QGZVFWFLSA-N 1 3 303.450 2.855 20 0 DFADHO CC(C)CCn1cccc1C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000161618781 398977209 /nfs/dbraw/zinc/97/72/09/398977209.db2.gz YYBIGCNOLAXAGQ-UHFFFAOYSA-N 1 3 320.525 2.650 20 0 DFADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC(CC[NH+](C)C)CC1 ZINC000056523455 398976551 /nfs/dbraw/zinc/97/65/51/398976551.db2.gz MMBLGZIHAGURCF-MRXNPFEDSA-N 1 3 323.525 2.830 20 0 DFADHO CN(C)CCN1CCC([NH2+]CCSCc2ccccc2)CC1 ZINC000193901306 201142168 /nfs/dbraw/zinc/14/21/68/201142168.db2.gz LAWRWQNHCDBMTE-UHFFFAOYSA-N 1 3 321.534 2.535 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2ccc(C)c(OC)c2)CC1 ZINC000194207316 201197732 /nfs/dbraw/zinc/19/77/32/201197732.db2.gz AZFICHZXBYVVLE-UHFFFAOYSA-N 1 3 319.493 2.511 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000417783756 296050438 /nfs/dbraw/zinc/05/04/38/296050438.db2.gz ACBCRQLGFXQQHR-IAGOWNOFSA-N 1 3 317.477 2.704 20 0 DFADHO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475033370 299341176 /nfs/dbraw/zinc/34/11/76/299341176.db2.gz JHWIGIZVYNBEFC-NXHRZFHOSA-N 1 3 317.477 2.526 20 0 DFADHO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475033370 299341180 /nfs/dbraw/zinc/34/11/80/299341180.db2.gz JHWIGIZVYNBEFC-NXHRZFHOSA-N 1 3 317.477 2.526 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)CC[C@@H]2CCC[NH2+]C2)c1 ZINC000621658143 399011601 /nfs/dbraw/zinc/01/16/01/399011601.db2.gz ALTJXLXRFFGJIE-HNNXBMFYSA-N 1 3 303.450 2.775 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000091285072 193031716 /nfs/dbraw/zinc/03/17/16/193031716.db2.gz TVALHRHSMZYLJH-LJQANCHMSA-N 1 3 301.478 2.755 20 0 DFADHO c1ccc2c(c1)COC[C@@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000418103081 296078400 /nfs/dbraw/zinc/07/84/00/296078400.db2.gz IJJLVTHKJDSMSV-IBGZPJMESA-N 1 3 309.413 2.912 20 0 DFADHO c1ccc2c(c1)COC[C@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000418103085 296078552 /nfs/dbraw/zinc/07/85/52/296078552.db2.gz IJJLVTHKJDSMSV-LJQANCHMSA-N 1 3 309.413 2.912 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000091741196 193100623 /nfs/dbraw/zinc/10/06/23/193100623.db2.gz VXSFIYQFNXBELC-CRAIPNDOSA-N 1 3 306.450 2.532 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000091741196 193100624 /nfs/dbraw/zinc/10/06/24/193100624.db2.gz VXSFIYQFNXBELC-CRAIPNDOSA-N 1 3 306.450 2.532 20 0 DFADHO CCC([NH3+])(CC)CNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418346374 296087020 /nfs/dbraw/zinc/08/70/20/296087020.db2.gz HUTAGRKCPUTONU-INIZCTEOSA-N 1 3 320.481 2.627 20 0 DFADHO CCO[C@@H]1CCCN(C/C=C/C[N@@H+]2CCC[C@@H](OCC)C2)C1 ZINC000606439222 399070725 /nfs/dbraw/zinc/07/07/25/399070725.db2.gz LHFHNXKMGWIFEJ-PJHKVULZSA-N 1 3 310.482 2.544 20 0 DFADHO CCO[C@@H]1CCCN(C/C=C/C[N@H+]2CCC[C@@H](OCC)C2)C1 ZINC000606439222 399070731 /nfs/dbraw/zinc/07/07/31/399070731.db2.gz LHFHNXKMGWIFEJ-PJHKVULZSA-N 1 3 310.482 2.544 20 0 DFADHO CCCN1CCC([N@H+](C)Cc2ccc(NC(C)=O)cc2)CC1 ZINC000092165520 193170184 /nfs/dbraw/zinc/17/01/84/193170184.db2.gz ACEHCWUZGBYCDA-UHFFFAOYSA-N 1 3 303.450 2.951 20 0 DFADHO CCCN1CCC([N@@H+](C)Cc2ccc(NC(C)=O)cc2)CC1 ZINC000092165520 193170186 /nfs/dbraw/zinc/17/01/86/193170186.db2.gz ACEHCWUZGBYCDA-UHFFFAOYSA-N 1 3 303.450 2.951 20 0 DFADHO CCC[C@](C)(N)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545210 203076354 /nfs/dbraw/zinc/07/63/54/203076354.db2.gz JQMSQMHRUDDNDJ-WDYCEAGBSA-N 1 3 317.477 2.531 20 0 DFADHO CCC[C@](C)(N)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261545210 203076356 /nfs/dbraw/zinc/07/63/56/203076356.db2.gz JQMSQMHRUDDNDJ-WDYCEAGBSA-N 1 3 317.477 2.531 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419327192 296134812 /nfs/dbraw/zinc/13/48/12/296134812.db2.gz NIPIJINDBXUYAG-IRXDYDNUSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000262465768 203302645 /nfs/dbraw/zinc/30/26/45/203302645.db2.gz WGXDVAIDIOBLTK-UXLLHSPISA-N 1 3 317.477 2.620 20 0 DFADHO CCC[C@@](C)(N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000262690863 203381516 /nfs/dbraw/zinc/38/15/16/203381516.db2.gz AJWCGUWPJVKVPZ-KBXCAEBGSA-N 1 3 305.466 2.750 20 0 DFADHO C[C@H](C(=O)NCCC[NH2+]C1CCCCC1)N1CCCCCC1 ZINC000419919725 296151639 /nfs/dbraw/zinc/15/16/39/296151639.db2.gz LNMZUIYDTSXGML-MRXNPFEDSA-N 1 3 309.498 2.680 20 0 DFADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](Cn2cccn2)C(C)C)C1 ZINC000340523624 284188002 /nfs/dbraw/zinc/18/80/02/284188002.db2.gz GZPQPGFFXVLUCS-MSOLQXFVSA-N 1 3 306.498 2.865 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]2CN(C)C)cc1 ZINC000263931334 203641611 /nfs/dbraw/zinc/64/16/11/203641611.db2.gz YDJSMBLBXOOCJP-SFHVURJKSA-N 1 3 317.477 2.695 20 0 DFADHO COC(=O)c1ccc(CN2CCC[C@@H](C)[C@H]2CCC[NH3+])s1 ZINC000595911233 399132180 /nfs/dbraw/zinc/13/21/80/399132180.db2.gz TZCZZTDMAMBNMO-TZMCWYRMSA-N 1 3 310.463 2.874 20 0 DFADHO CCOc1cc2nccc(NCC[C@@H](C)[NH3+])c2cc1OCC ZINC000420161130 296159892 /nfs/dbraw/zinc/15/98/92/296159892.db2.gz VPJXWHBCRWKCGD-GFCCVEGCSA-N 1 3 303.406 2.603 20 0 DFADHO CCOc1cc2nccc(N3CC[NH2+][C@H](C)C3)c2cc1OCC ZINC000420202522 296162063 /nfs/dbraw/zinc/16/20/63/296162063.db2.gz NUHRZGYCBBZXQM-CYBMUJFWSA-N 1 3 315.417 2.830 20 0 DFADHO CCOc1cc2nccc(N[C@H](C)CCC[NH3+])c2cc1OCC ZINC000420272485 296167982 /nfs/dbraw/zinc/16/79/82/296167982.db2.gz WQRAEMWLBPIJRF-CYBMUJFWSA-N 1 3 317.433 2.993 20 0 DFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](C)N ZINC000420273959 296168084 /nfs/dbraw/zinc/16/80/84/296168084.db2.gz OAMVPPPMGHBECE-ZBFHGGJFSA-N 1 3 319.449 2.616 20 0 DFADHO CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)N ZINC000420273959 296168086 /nfs/dbraw/zinc/16/80/86/296168086.db2.gz OAMVPPPMGHBECE-ZBFHGGJFSA-N 1 3 319.449 2.616 20 0 DFADHO CCOc1cc2nccc(N3C[C@@H](C)[C@H]([NH3+])C3)c2cc1OCC ZINC000420283925 296169087 /nfs/dbraw/zinc/16/90/87/296169087.db2.gz UDBPAPRKGFKWQY-TZMCWYRMSA-N 1 3 315.417 2.816 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)[C@@H]1C ZINC000596058069 399157776 /nfs/dbraw/zinc/15/77/76/399157776.db2.gz BXWVKOQSMNTXJV-BGTYHANMSA-N 1 3 322.493 2.676 20 0 DFADHO COC(=O)c1cc2cc(CN3CCC([C@H](C)[NH3+])CC3)ccc2o1 ZINC000420303848 296172053 /nfs/dbraw/zinc/17/20/53/296172053.db2.gz XNBBYHYKOREQCA-LBPRGKRZSA-N 1 3 316.401 2.779 20 0 DFADHO CCOc1ccccc1NC(=O)CCN1CCCC[C@H]1CC[NH3+] ZINC000420314365 296173577 /nfs/dbraw/zinc/17/35/77/296173577.db2.gz KSRCHVYADJPSIP-HNNXBMFYSA-N 1 3 319.449 2.617 20 0 DFADHO CCc1ccccc1NC(=O)[C@@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000420321401 296174975 /nfs/dbraw/zinc/17/49/75/296174975.db2.gz ZZYSQGJVXIISEQ-HUUCEWRRSA-N 1 3 303.450 2.637 20 0 DFADHO Cc1ccc(NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420331380 296176474 /nfs/dbraw/zinc/17/64/74/296176474.db2.gz BVGWJYMRUIMBEB-SJORKVTESA-N 1 3 315.461 2.563 20 0 DFADHO Cc1cccc(C)c1NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420325767 296175784 /nfs/dbraw/zinc/17/57/84/296175784.db2.gz BUGWQLCODBIFIZ-YESZJQIVSA-N 1 3 315.461 2.562 20 0 DFADHO NC[C@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CC12CCOCC2 ZINC000420336667 296177167 /nfs/dbraw/zinc/17/71/67/296177167.db2.gz WCCLJPQBJKGJPK-WMZOPIPTSA-N 1 3 300.446 2.751 20 0 DFADHO NC[C@H]1C[N@H+]([C@H]2CCCc3ccccc32)CC12CCOCC2 ZINC000420336667 296177168 /nfs/dbraw/zinc/17/71/68/296177168.db2.gz WCCLJPQBJKGJPK-WMZOPIPTSA-N 1 3 300.446 2.751 20 0 DFADHO CCCCN(CCCC)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335951 296177261 /nfs/dbraw/zinc/17/72/61/296177261.db2.gz IGCJDRCSDKLBDM-MSOLQXFVSA-N 1 3 323.525 2.737 20 0 DFADHO COC(=O)c1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)s1 ZINC000420338901 296177507 /nfs/dbraw/zinc/17/75/07/296177507.db2.gz YGYGHTWLWNTGHF-KBPBESRZSA-N 1 3 322.474 2.665 20 0 DFADHO Cc1cccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420334291 296176695 /nfs/dbraw/zinc/17/66/95/296176695.db2.gz GCSXYCNZMHAEOP-GVDBMIGSSA-N 1 3 315.461 2.644 20 0 DFADHO COc1cccc([C@@H](C)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000420342355 296177884 /nfs/dbraw/zinc/17/78/84/296177884.db2.gz VWAYOYQWHXJTLC-XWIAVFTESA-N 1 3 304.434 2.584 20 0 DFADHO Cc1ccc(C)c(NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420339038 296177586 /nfs/dbraw/zinc/17/75/86/296177586.db2.gz LOJRAVKFPJEMQI-IRXDYDNUSA-N 1 3 315.461 2.563 20 0 DFADHO CC1(C)C[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)Cc2ccccc21 ZINC000420366926 296181021 /nfs/dbraw/zinc/18/10/21/296181021.db2.gz VGKRATXBLNMERM-PMACEKPBSA-N 1 3 324.468 2.711 20 0 DFADHO CC1(C)C[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)Cc2ccccc21 ZINC000420366926 296181022 /nfs/dbraw/zinc/18/10/22/296181022.db2.gz VGKRATXBLNMERM-PMACEKPBSA-N 1 3 324.468 2.711 20 0 DFADHO C[C@H](c1cccc(F)c1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420369039 296181634 /nfs/dbraw/zinc/18/16/34/296181634.db2.gz XJQYNAFYKFXMTB-IAGOWNOFSA-N 1 3 319.468 2.894 20 0 DFADHO COc1ccc(NC(=O)CCN[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420374002 296182416 /nfs/dbraw/zinc/18/24/16/296182416.db2.gz RQSIAKMUUULQCM-QGZVFWFLSA-N 1 3 319.449 2.521 20 0 DFADHO Cc1cc(C)c2c(c1)C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)CC2 ZINC000420379335 296183147 /nfs/dbraw/zinc/18/31/47/296183147.db2.gz VHFSLUSOTNXGGO-SFTDATJTSA-N 1 3 324.468 2.592 20 0 DFADHO Cc1cc(C)c2c(c1)C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)CC2 ZINC000420379335 296183148 /nfs/dbraw/zinc/18/31/48/296183148.db2.gz VHFSLUSOTNXGGO-SFTDATJTSA-N 1 3 324.468 2.592 20 0 DFADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420382950 296183879 /nfs/dbraw/zinc/18/38/79/296183879.db2.gz QADNZUMEUUAYHP-YSHGAJCASA-N 1 3 324.509 2.800 20 0 DFADHO COc1ccc(C[NH2+]C2CCN(C(C)C)CC2)c(C)c1OC ZINC000342089105 284323627 /nfs/dbraw/zinc/32/36/27/284323627.db2.gz SDRKBOCFPGJTMW-UHFFFAOYSA-N 1 3 306.450 2.975 20 0 DFADHO C[C@H]1CCN(CCCc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000420385234 296184537 /nfs/dbraw/zinc/18/45/37/296184537.db2.gz SPSRTVKPQJXXFF-GOEBONIOSA-N 1 3 314.433 2.586 20 0 DFADHO c1ccc(OCCOCCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420401703 296186620 /nfs/dbraw/zinc/18/66/20/296186620.db2.gz PRNVKJINXSQVRW-HKUYNNGSSA-N 1 3 318.461 2.546 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000282763387 217233849 /nfs/dbraw/zinc/23/38/49/217233849.db2.gz OKCPPZHNPGGQHX-QZTJIDSGSA-N 1 3 300.446 2.676 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)N2CCCC2)cc1 ZINC000063732825 399204740 /nfs/dbraw/zinc/20/47/40/399204740.db2.gz CLNJMNGAMMMUSQ-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CCCN(C)C[C@@H]1CC ZINC000614336631 399211565 /nfs/dbraw/zinc/21/15/65/399211565.db2.gz ZZKGINJKDXZAGG-KRWDZBQOSA-N 1 3 311.514 2.831 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000342732715 284396212 /nfs/dbraw/zinc/39/62/12/284396212.db2.gz LCNIASWXWUMKOH-UXLLHSPISA-N 1 3 317.477 2.620 20 0 DFADHO CCCCOc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000342727742 284395659 /nfs/dbraw/zinc/39/56/59/284395659.db2.gz IAHGFIPXXQAUCQ-WMZOPIPTSA-N 1 3 320.477 2.973 20 0 DFADHO C[C@@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)N1CCCCCC1 ZINC000608358142 399255863 /nfs/dbraw/zinc/25/58/63/399255863.db2.gz VEULJKWOHBAAGU-INIZCTEOSA-N 1 3 309.498 2.584 20 0 DFADHO C[C@@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)N1CCCCCC1 ZINC000608358142 399255866 /nfs/dbraw/zinc/25/58/66/399255866.db2.gz VEULJKWOHBAAGU-INIZCTEOSA-N 1 3 309.498 2.584 20 0 DFADHO CN(CCN1CCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622738497 399269491 /nfs/dbraw/zinc/26/94/91/399269491.db2.gz UTDJUWFVHIYOFU-SFHVURJKSA-N 1 3 321.509 2.728 20 0 DFADHO CN(CCN1CCCCC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000622738497 399269492 /nfs/dbraw/zinc/26/94/92/399269492.db2.gz UTDJUWFVHIYOFU-SFHVURJKSA-N 1 3 321.509 2.728 20 0 DFADHO CC[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)N(CC)CC ZINC000344038894 284572067 /nfs/dbraw/zinc/57/20/67/284572067.db2.gz IKEZXJUXAJOBEO-NUJGCVRESA-N 1 3 311.514 2.734 20 0 DFADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000618987819 399271615 /nfs/dbraw/zinc/27/16/15/399271615.db2.gz UZFPOYNPSAPZFH-AEFFLSMTSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000618987819 399271617 /nfs/dbraw/zinc/27/16/17/399271617.db2.gz UZFPOYNPSAPZFH-AEFFLSMTSA-N 1 3 321.509 2.630 20 0 DFADHO CC[NH+](CC)CCCCNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000353829968 284583829 /nfs/dbraw/zinc/58/38/29/284583829.db2.gz UENUQZZRLBSDCJ-QGZVFWFLSA-N 1 3 311.514 2.735 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NCc2ccc(C[NH3+])cc2)c1 ZINC000623058047 399321080 /nfs/dbraw/zinc/32/10/80/399321080.db2.gz OOBOGGZVMFTIHQ-UHFFFAOYSA-N 1 3 312.417 2.529 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)N(C)C ZINC000615445019 399337314 /nfs/dbraw/zinc/33/73/14/399337314.db2.gz HFPJCRUWYDSOTE-KRWDZBQOSA-N 1 3 323.525 2.686 20 0 DFADHO COc1cccc([C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)N(C)C)c1 ZINC000623335881 399364969 /nfs/dbraw/zinc/36/49/69/399364969.db2.gz JUWMJCOSLPKFGR-WMZOPIPTSA-N 1 3 319.493 2.760 20 0 DFADHO COc1cccc([C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)N(C)C)c1 ZINC000623335881 399364973 /nfs/dbraw/zinc/36/49/73/399364973.db2.gz JUWMJCOSLPKFGR-WMZOPIPTSA-N 1 3 319.493 2.760 20 0 DFADHO COc1cccc([C@H](C[NH2+][C@H]2CCN(C)C(C)(C)C2)N(C)C)c1 ZINC000623335881 399364976 /nfs/dbraw/zinc/36/49/76/399364976.db2.gz JUWMJCOSLPKFGR-WMZOPIPTSA-N 1 3 319.493 2.760 20 0 DFADHO CN1CC[C@@H]([NH2+]CCN2CCc3ccccc3C2)CC1(C)C ZINC000623346973 399367735 /nfs/dbraw/zinc/36/77/35/399367735.db2.gz KAMNZOWDVXYEAR-GOSISDBHSA-N 1 3 301.478 2.507 20 0 DFADHO C[N@@H+]1CC[C@@H](NCCN2CCc3ccccc3C2)CC1(C)C ZINC000623346973 399367738 /nfs/dbraw/zinc/36/77/38/399367738.db2.gz KAMNZOWDVXYEAR-GOSISDBHSA-N 1 3 301.478 2.507 20 0 DFADHO C[N@H+]1CC[C@@H](NCCN2CCc3ccccc3C2)CC1(C)C ZINC000623346973 399367739 /nfs/dbraw/zinc/36/77/39/399367739.db2.gz KAMNZOWDVXYEAR-GOSISDBHSA-N 1 3 301.478 2.507 20 0 DFADHO C[C@@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347007 399367771 /nfs/dbraw/zinc/36/77/71/399367771.db2.gz KVLLDFHOEIHCKH-QFBILLFUSA-N 1 3 315.505 2.896 20 0 DFADHO C[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347007 399367773 /nfs/dbraw/zinc/36/77/73/399367773.db2.gz KVLLDFHOEIHCKH-QFBILLFUSA-N 1 3 315.505 2.896 20 0 DFADHO C[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347007 399367776 /nfs/dbraw/zinc/36/77/76/399367776.db2.gz KVLLDFHOEIHCKH-QFBILLFUSA-N 1 3 315.505 2.896 20 0 DFADHO COC(=O)CC1(CN2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000619647812 399370558 /nfs/dbraw/zinc/37/05/58/399370558.db2.gz HMMCSTAGQVWYSG-UHFFFAOYSA-N 1 3 322.493 2.918 20 0 DFADHO CCC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000623361195 399372206 /nfs/dbraw/zinc/37/22/06/399372206.db2.gz QUVQCHSMKBSWJK-MRXNPFEDSA-N 1 3 303.450 2.998 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CC1(C)C ZINC000623387575 399377929 /nfs/dbraw/zinc/37/79/29/399377929.db2.gz JUVLDRKVKRZROV-INIZCTEOSA-N 1 3 303.450 2.833 20 0 DFADHO CN(C)CCOc1ccccc1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623385590 399377771 /nfs/dbraw/zinc/37/77/71/399377771.db2.gz SSFOKYIDGFTKCK-QGZVFWFLSA-N 1 3 319.493 2.589 20 0 DFADHO CN(C)CCOc1ccccc1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623385590 399377774 /nfs/dbraw/zinc/37/77/74/399377774.db2.gz SSFOKYIDGFTKCK-QGZVFWFLSA-N 1 3 319.493 2.589 20 0 DFADHO COc1cccc(N2CC[C@@H](N[C@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000623399226 399380642 /nfs/dbraw/zinc/38/06/42/399380642.db2.gz BRGNQXDYPKMQLG-JKSUJKDBSA-N 1 3 317.477 2.736 20 0 DFADHO COc1cccc(N2CC[C@@H](N[C@H]3CC[N@@H+](C)C(C)(C)C3)C2)c1 ZINC000623399226 399380644 /nfs/dbraw/zinc/38/06/44/399380644.db2.gz BRGNQXDYPKMQLG-JKSUJKDBSA-N 1 3 317.477 2.736 20 0 DFADHO CCOC(=O)C1CCC([NH2+]CC[C@H](N)Cc2ccccc2)CC1 ZINC000602020068 399386057 /nfs/dbraw/zinc/38/60/57/399386057.db2.gz IXBRUAAYKWHEBB-ADKAHSJRSA-N 1 3 318.461 2.658 20 0 DFADHO COc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000285339640 218388532 /nfs/dbraw/zinc/38/85/32/218388532.db2.gz PDSWLZQYPXPBRZ-MRXNPFEDSA-N 1 3 304.434 2.684 20 0 DFADHO COc1ccc(C(=O)CC[N@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000285339640 218388534 /nfs/dbraw/zinc/38/85/34/218388534.db2.gz PDSWLZQYPXPBRZ-MRXNPFEDSA-N 1 3 304.434 2.684 20 0 DFADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000623445946 399392029 /nfs/dbraw/zinc/39/20/29/399392029.db2.gz LADOBIVKJOTLOG-ZIAGYGMSSA-N 1 3 322.884 2.776 20 0 DFADHO C[N@H+]1CC[C@@H](N[C@@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000623445946 399392032 /nfs/dbraw/zinc/39/20/32/399392032.db2.gz LADOBIVKJOTLOG-ZIAGYGMSSA-N 1 3 322.884 2.776 20 0 DFADHO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000268850010 207017858 /nfs/dbraw/zinc/01/78/58/207017858.db2.gz WKJTXWCBTSPRKM-HZPDHXFCSA-N 1 3 316.449 2.563 20 0 DFADHO CCC[NH+]1CCC(N[C@@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000268853089 207020098 /nfs/dbraw/zinc/02/00/98/207020098.db2.gz CBTFZTCZKNJJOA-QGZVFWFLSA-N 1 3 315.461 2.535 20 0 DFADHO COc1ccc([C@@H](CCO)[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623476852 399397661 /nfs/dbraw/zinc/39/76/61/399397661.db2.gz RHXNACRXLSQCCZ-NVXWUHKLSA-N 1 3 306.450 2.581 20 0 DFADHO COc1ccc([C@@H](CCO)[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623476851 399397432 /nfs/dbraw/zinc/39/74/32/399397432.db2.gz RHXNACRXLSQCCZ-DOTOQJQBSA-N 1 3 306.450 2.581 20 0 DFADHO COc1ccc(CNCCCC[NH+](C)C)c(Cl)c1OC ZINC000110822869 194362434 /nfs/dbraw/zinc/36/24/34/194362434.db2.gz UIBVFKZZXHFDGO-UHFFFAOYSA-N 1 3 300.830 2.789 20 0 DFADHO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000268889785 207057921 /nfs/dbraw/zinc/05/79/21/207057921.db2.gz ZXYGDIOEWUMPQL-RDJZCZTQSA-N 1 3 306.450 2.581 20 0 DFADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000159314752 197344945 /nfs/dbraw/zinc/34/49/45/197344945.db2.gz FFILNVSXNCKLBC-HNNXBMFYSA-N 1 3 315.461 2.948 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422704042 296319066 /nfs/dbraw/zinc/31/90/66/296319066.db2.gz JRORZQGIOGTNFB-CGTJXYLNSA-N 1 3 312.498 2.848 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc(COC2CCOCC2)c1 ZINC000422703252 296318503 /nfs/dbraw/zinc/31/85/03/296318503.db2.gz HHBCCKIAHAUTJA-GJZGRUSLSA-N 1 3 306.450 2.598 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1cc(Cl)cc(Cl)c1 ZINC000422707745 296319548 /nfs/dbraw/zinc/31/95/48/296319548.db2.gz AQLZXYOJRUZQKC-VQISRLSMSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422707745 296319549 /nfs/dbraw/zinc/31/95/49/296319549.db2.gz AQLZXYOJRUZQKC-VQISRLSMSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCc2ccccc21 ZINC000422709730 296319874 /nfs/dbraw/zinc/31/98/74/296319874.db2.gz DVHOPVQZCUIBLY-UWVAXJGDSA-N 1 3 323.484 2.986 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623531165 399409808 /nfs/dbraw/zinc/40/98/08/399409808.db2.gz KXGFPCXENGNOIL-LSDHHAIUSA-N 1 3 305.441 2.867 20 0 DFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623531165 399409809 /nfs/dbraw/zinc/40/98/09/399409809.db2.gz KXGFPCXENGNOIL-LSDHHAIUSA-N 1 3 305.441 2.867 20 0 DFADHO C[C@@H](NC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422724109 296321696 /nfs/dbraw/zinc/32/16/96/296321696.db2.gz ULLVTVUZDQNKPM-RDTXWAMCSA-N 1 3 305.441 2.520 20 0 DFADHO CN(C)C[C@H](Cc1ccccc1)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422719954 296321202 /nfs/dbraw/zinc/32/12/02/296321202.db2.gz RSBONDJPZRHGDJ-VDGAXYAQSA-N 1 3 309.457 2.894 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000422721409 296321329 /nfs/dbraw/zinc/32/13/29/296321329.db2.gz VILGKSSGNZKBED-OLZOCXBDSA-N 1 3 301.390 2.747 20 0 DFADHO CCc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000422726767 296322367 /nfs/dbraw/zinc/32/23/67/296322367.db2.gz AMDHERKWIAHITF-ZZJWQFMZSA-N 1 3 301.478 2.724 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723534 296321905 /nfs/dbraw/zinc/32/19/05/296321905.db2.gz RSPXXKIXEJVWNO-ACJLOTCBSA-N 1 3 323.431 2.517 20 0 DFADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000268995761 207152308 /nfs/dbraw/zinc/15/23/08/207152308.db2.gz KNCHSFQGNYBWIP-HOTGVXAUSA-N 1 3 305.466 2.514 20 0 DFADHO CCc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)N(C)C)cc1 ZINC000422732793 296323446 /nfs/dbraw/zinc/32/34/46/296323446.db2.gz PIOJTJBBZBTAIF-IPELMVKDSA-N 1 3 303.494 2.829 20 0 DFADHO CCc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)N(C)C)cc1 ZINC000422732794 296323488 /nfs/dbraw/zinc/32/34/88/296323488.db2.gz PIOJTJBBZBTAIF-LZQZEXGQSA-N 1 3 303.494 2.829 20 0 DFADHO COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000623656808 399437423 /nfs/dbraw/zinc/43/74/23/399437423.db2.gz CGCQNHDIFSNSQV-FUHWJXTLSA-N 1 3 320.477 2.922 20 0 DFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCNc1ccccn1 ZINC000269052881 207202069 /nfs/dbraw/zinc/20/20/69/207202069.db2.gz RNYRHPYISFCNJH-HKUYNNGSSA-N 1 3 324.472 2.994 20 0 DFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCNc1ccccn1 ZINC000269052881 207202073 /nfs/dbraw/zinc/20/20/73/207202073.db2.gz RNYRHPYISFCNJH-HKUYNNGSSA-N 1 3 324.472 2.994 20 0 DFADHO CCOC(=O)c1ccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)[nH]1 ZINC000602515842 399465434 /nfs/dbraw/zinc/46/54/34/399465434.db2.gz ZRXGFWRXHVVFOD-HNNXBMFYSA-N 1 3 321.465 2.936 20 0 DFADHO CCOC(=O)c1ccc(CNCCCC[N@H+]2CCCC[C@@H]2C)[nH]1 ZINC000602515842 399465436 /nfs/dbraw/zinc/46/54/36/399465436.db2.gz ZRXGFWRXHVVFOD-HNNXBMFYSA-N 1 3 321.465 2.936 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000422741837 296324408 /nfs/dbraw/zinc/32/44/08/296324408.db2.gz PFYFLMBCTPFXIE-QLFBSQMISA-N 1 3 308.491 2.772 20 0 DFADHO C[C@@H](NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000422737583 296324039 /nfs/dbraw/zinc/32/40/39/296324039.db2.gz ZXKTZIGTATWQIH-BHIYHBOVSA-N 1 3 301.478 2.944 20 0 DFADHO Cc1ccccc1OCCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422744405 296324914 /nfs/dbraw/zinc/32/49/14/296324914.db2.gz SVDFJBKNLBWSRN-FGTMMUONSA-N 1 3 318.461 2.511 20 0 DFADHO CN(CCCNC(=O)CCCCCC[NH3+])Cc1ccccc1 ZINC000269226944 207348361 /nfs/dbraw/zinc/34/83/61/207348361.db2.gz FTOYFSVKKUHAOG-UHFFFAOYSA-N 1 3 305.466 2.534 20 0 DFADHO COc1ccccc1[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])N(C)C ZINC000422748949 296325730 /nfs/dbraw/zinc/32/57/30/296325730.db2.gz WVPDYAWEPAGHFO-IKGGRYGDSA-N 1 3 305.466 2.548 20 0 DFADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCCCC[C@H]1N)N(C)C ZINC000422748949 296325731 /nfs/dbraw/zinc/32/57/31/296325731.db2.gz WVPDYAWEPAGHFO-IKGGRYGDSA-N 1 3 305.466 2.548 20 0 DFADHO CCc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422750371 296326178 /nfs/dbraw/zinc/32/61/78/296326178.db2.gz CZCZAOSLWDBINA-CEXWTWQISA-N 1 3 302.462 2.538 20 0 DFADHO CCOc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OCC ZINC000422751082 296326671 /nfs/dbraw/zinc/32/66/71/296326671.db2.gz CDGJHNOSUUNODH-SJPCQFCGSA-N 1 3 318.461 2.899 20 0 DFADHO Cc1nc2ccccc2n1CCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422756034 296327332 /nfs/dbraw/zinc/32/73/32/296327332.db2.gz KZBGADYVDGGGMV-HOCLYGCPSA-N 1 3 300.450 2.855 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCN1CCCCCC1=O ZINC000422760008 296328189 /nfs/dbraw/zinc/32/81/89/296328189.db2.gz PTMMGVLINWENCD-IRXDYDNUSA-N 1 3 309.498 2.680 20 0 DFADHO CCOc1ccc(CCN[C@@H](C)[C@@H]2CC[NH2+]C2)cc1OCC ZINC000422757082 296327832 /nfs/dbraw/zinc/32/78/32/296327832.db2.gz JKQNNSBUTJIJMY-GOEBONIOSA-N 1 3 306.450 2.614 20 0 DFADHO COc1ccc(OC)c(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422761094 296328457 /nfs/dbraw/zinc/32/84/57/296328457.db2.gz MMJJOHNAOKJDOQ-MSOLQXFVSA-N 1 3 312.413 2.981 20 0 DFADHO COc1ccc(OC)c(CC[NH2+][C@H]2C[C@@H](N)c3ccccc32)c1 ZINC000422761094 296328458 /nfs/dbraw/zinc/32/84/58/296328458.db2.gz MMJJOHNAOKJDOQ-MSOLQXFVSA-N 1 3 312.413 2.981 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1cccs1)N(C)C ZINC000422769933 296330380 /nfs/dbraw/zinc/33/03/80/296330380.db2.gz VPHKPYWBPKDQQS-MLGOLLRUSA-N 1 3 318.490 2.864 20 0 DFADHO COc1ccc(OC)c(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422768887 296329987 /nfs/dbraw/zinc/32/99/87/296329987.db2.gz VBDHPQOKTOWRMK-KZNAEPCWSA-N 1 3 318.461 2.757 20 0 DFADHO Cc1ccc(CSCCN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422774097 296330981 /nfs/dbraw/zinc/33/09/81/296330981.db2.gz VMOLRXDPJNQFJM-DJIMGWMZSA-N 1 3 308.491 2.570 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422773605 296330717 /nfs/dbraw/zinc/33/07/17/296330717.db2.gz YYACKFUIQQOUPE-OWYHZJEWSA-N 1 3 313.489 2.948 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422782216 296331906 /nfs/dbraw/zinc/33/19/06/296331906.db2.gz FZDQXOUQUKAYDP-KBXCAEBGSA-N 1 3 316.424 2.661 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422782216 296331907 /nfs/dbraw/zinc/33/19/07/296331907.db2.gz FZDQXOUQUKAYDP-KBXCAEBGSA-N 1 3 316.424 2.661 20 0 DFADHO C[C@H](NCCCOc1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000422778229 296331457 /nfs/dbraw/zinc/33/14/57/296331457.db2.gz GXCKAZZZRAHYIM-JTQLQIEISA-N 1 3 303.233 2.960 20 0 DFADHO C[C@H]([NH2+]CCCOc1ccc(Cl)cc1Cl)C1CNC1 ZINC000422778229 296331459 /nfs/dbraw/zinc/33/14/59/296331459.db2.gz GXCKAZZZRAHYIM-JTQLQIEISA-N 1 3 303.233 2.960 20 0 DFADHO Cc1nccn1CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000422778411 296331474 /nfs/dbraw/zinc/33/14/74/296331474.db2.gz HKLICRUAPYSASD-OKZBNKHCSA-N 1 3 304.482 2.872 20 0 DFADHO Clc1cnc(NCCN[C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000422781855 296332029 /nfs/dbraw/zinc/33/20/29/296332029.db2.gz LFTLGRBGEZMMDP-LLVKDONJSA-N 1 3 303.237 2.532 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCNc1ncc(Cl)cc1Cl ZINC000422786350 296332549 /nfs/dbraw/zinc/33/25/49/296332549.db2.gz QFKWYXKRGQIRSW-SKDRFNHKSA-N 1 3 303.237 2.517 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422786350 296332550 /nfs/dbraw/zinc/33/25/50/296332550.db2.gz QFKWYXKRGQIRSW-SKDRFNHKSA-N 1 3 303.237 2.517 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C12CCC2 ZINC000422783255 296332184 /nfs/dbraw/zinc/33/21/84/296332184.db2.gz NXFDXNWKPJHQTK-XOKHGSTOSA-N 1 3 303.450 2.847 20 0 DFADHO CC[C@@H](NCCCn1cnc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422793338 296333623 /nfs/dbraw/zinc/33/36/23/296333623.db2.gz XZRQHEYZNMDIES-HZPDHXFCSA-N 1 3 300.450 2.937 20 0 DFADHO CC[C@H](NCCCn1cnc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422793337 296333744 /nfs/dbraw/zinc/33/37/44/296333744.db2.gz XZRQHEYZNMDIES-HOTGVXAUSA-N 1 3 300.450 2.937 20 0 DFADHO CCc1ccc([C@H](CNC(=O)CCCCCC[NH3+])N(C)C)cc1 ZINC000269245469 207379120 /nfs/dbraw/zinc/37/91/20/207379120.db2.gz UDSVZPQZJBMFDZ-SFHVURJKSA-N 1 3 319.493 2.877 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422795475 296334529 /nfs/dbraw/zinc/33/45/29/296334529.db2.gz VRDCSKMZVNRKGH-DQEVTTJGSA-N 1 3 318.461 2.973 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000269246656 207383418 /nfs/dbraw/zinc/38/34/18/207383418.db2.gz VBGZLLWFJHBSHL-MAUKXSAKSA-N 1 3 317.477 2.518 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000269246656 207383424 /nfs/dbraw/zinc/38/34/24/207383424.db2.gz VBGZLLWFJHBSHL-MAUKXSAKSA-N 1 3 317.477 2.518 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000269251631 207388896 /nfs/dbraw/zinc/38/88/96/207388896.db2.gz ZFFZQPYGPMZDFI-MAUKXSAKSA-N 1 3 317.477 2.518 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000269251631 207388902 /nfs/dbraw/zinc/38/89/02/207388902.db2.gz ZFFZQPYGPMZDFI-MAUKXSAKSA-N 1 3 317.477 2.518 20 0 DFADHO COc1ccc([C@H](NCCN2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422809972 296337355 /nfs/dbraw/zinc/33/73/55/296337355.db2.gz MVYFKFQJRKJEOM-MOPGFXCFSA-N 1 3 317.477 2.564 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1c(OC)ccc2ccccc21 ZINC000422812909 296337641 /nfs/dbraw/zinc/33/76/41/296337641.db2.gz YIOCIDJQOFBMQP-HNNXBMFYSA-N 1 3 302.418 2.692 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422820210 296339025 /nfs/dbraw/zinc/33/90/25/296339025.db2.gz PLUBDIPFEHGQOV-MSOLQXFVSA-N 1 3 312.461 2.581 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCc1nccn1Cc1ccccc1 ZINC000422820210 296339026 /nfs/dbraw/zinc/33/90/26/296339026.db2.gz PLUBDIPFEHGQOV-MSOLQXFVSA-N 1 3 312.461 2.581 20 0 DFADHO C[C@H]1CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000631841420 399506919 /nfs/dbraw/zinc/50/69/19/399506919.db2.gz KKGPDCTYYSEGHU-MAUKXSAKSA-N 1 3 323.440 2.966 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422817252 296338768 /nfs/dbraw/zinc/33/87/68/296338768.db2.gz HCIFEJWVMBANEQ-HIFRSBDPSA-N 1 3 321.431 2.629 20 0 DFADHO CC(C)(C[NH2+][C@H]1CCCC[C@H]1CN)c1ccc2c(c1)OCCO2 ZINC000422824992 296339991 /nfs/dbraw/zinc/33/99/91/296339991.db2.gz OVDMQYZFLCACPV-HOCLYGCPSA-N 1 3 318.461 2.843 20 0 DFADHO c1c(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc2n1CCCC2 ZINC000422830086 296340836 /nfs/dbraw/zinc/34/08/36/296340836.db2.gz HYVOJRSGMIEDDD-FGTMMUONSA-N 1 3 316.493 2.662 20 0 DFADHO c1ccc(NCCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000422831322 296341164 /nfs/dbraw/zinc/34/11/64/296341164.db2.gz DRFUFRYHCIYQDG-IXDOHACOSA-N 1 3 302.466 2.784 20 0 DFADHO c1ccc(NCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)nc1 ZINC000422831322 296341166 /nfs/dbraw/zinc/34/11/66/296341166.db2.gz DRFUFRYHCIYQDG-IXDOHACOSA-N 1 3 302.466 2.784 20 0 DFADHO CCO[C@H](CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000422833486 296341444 /nfs/dbraw/zinc/34/14/44/296341444.db2.gz YUGCBFAMNOVVHZ-FCGDIQPGSA-N 1 3 324.509 2.719 20 0 DFADHO C[C@H](CN1CCCCC1)[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000422838944 296342519 /nfs/dbraw/zinc/34/25/19/296342519.db2.gz YUFYXACGPKQFCR-QRQLOZEOSA-N 1 3 301.478 2.944 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422843090 296342973 /nfs/dbraw/zinc/34/29/73/296342973.db2.gz GYWHTQXBAALMAZ-AEFFLSMTSA-N 1 3 302.462 2.842 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](C)Oc1ccccc1Br ZINC000422842878 296343170 /nfs/dbraw/zinc/34/31/70/296343170.db2.gz ZJWMGVZLZHCZPM-TUAOUCFPSA-N 1 3 315.255 2.932 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422848152 296344246 /nfs/dbraw/zinc/34/42/46/296344246.db2.gz SQFPUSWSCDIVJK-ZACQAIPSSA-N 1 3 307.869 2.946 20 0 DFADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422848152 296344248 /nfs/dbraw/zinc/34/42/48/296344248.db2.gz SQFPUSWSCDIVJK-ZACQAIPSSA-N 1 3 307.869 2.946 20 0 DFADHO CO[C@@H]1C[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000422849342 296344643 /nfs/dbraw/zinc/34/46/43/296344643.db2.gz LPKWRZNKFVYHCU-ITQYTPKQSA-N 1 3 316.445 2.645 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422845655 296343776 /nfs/dbraw/zinc/34/37/76/296343776.db2.gz OMMXULMVMZLIBE-FUHWJXTLSA-N 1 3 324.428 2.551 20 0 DFADHO CC(C)COc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)cc1 ZINC000422854452 296345245 /nfs/dbraw/zinc/34/52/45/296345245.db2.gz ASQLXOHVJICLPU-AYOQOUSVSA-N 1 3 320.477 2.606 20 0 DFADHO CC(C)COc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422854452 296345246 /nfs/dbraw/zinc/34/52/46/296345246.db2.gz ASQLXOHVJICLPU-AYOQOUSVSA-N 1 3 320.477 2.606 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422856629 296345555 /nfs/dbraw/zinc/34/55/55/296345555.db2.gz XFFBOGOTKYBPEV-HPCHECBXSA-N 1 3 308.388 2.697 20 0 DFADHO CC[C@H](NC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422857569 296345767 /nfs/dbraw/zinc/34/57/67/296345767.db2.gz HABGCKDOKUCCNT-KBPBESRZSA-N 1 3 307.404 2.523 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000422865552 296347192 /nfs/dbraw/zinc/34/71/92/296347192.db2.gz YMNFWCDNVMJKJL-VDZJLULYSA-N 1 3 301.478 2.551 20 0 DFADHO CN(CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000422867694 296347512 /nfs/dbraw/zinc/34/75/12/296347512.db2.gz SZACFWNZVFVLAU-RBSFLKMASA-N 1 3 321.431 2.771 20 0 DFADHO CN(CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)CC(F)(F)F ZINC000422867694 296347513 /nfs/dbraw/zinc/34/75/13/296347513.db2.gz SZACFWNZVFVLAU-RBSFLKMASA-N 1 3 321.431 2.771 20 0 DFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)N1CCC[C@@H](C)C1 ZINC000422870839 296347712 /nfs/dbraw/zinc/34/77/12/296347712.db2.gz ZHUYIRWASDKCLQ-YWTNHNAXSA-N 1 3 303.494 2.655 20 0 DFADHO C[C@H]([NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1cnccc1N ZINC000422882336 296349912 /nfs/dbraw/zinc/34/99/12/296349912.db2.gz ZYEYLDOBORHEFY-ZOBUZTSGSA-N 1 3 310.445 2.808 20 0 DFADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)cc1OC(F)F ZINC000422884868 296350617 /nfs/dbraw/zinc/35/06/17/296350617.db2.gz XUKKXGWELZQTIF-CHWSQXEVSA-N 1 3 314.376 2.556 20 0 DFADHO C[C@H](NCC(C)(C)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000422884673 296350550 /nfs/dbraw/zinc/35/05/50/296350550.db2.gz SOIKKFYWSWEYHW-NSHDSACASA-N 1 3 311.267 2.924 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)c1ccc(Br)cc1)C1CNC1 ZINC000422884673 296350552 /nfs/dbraw/zinc/35/05/52/296350552.db2.gz SOIKKFYWSWEYHW-NSHDSACASA-N 1 3 311.267 2.924 20 0 DFADHO Cc1ccccc1CN1CCC([NH2+][C@H]2CNCC[C@@H]2C)CC1 ZINC000422899993 296352692 /nfs/dbraw/zinc/35/26/92/296352692.db2.gz PQQAASGJXGEGLU-LPHOPBHVSA-N 1 3 301.478 2.547 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422900043 296352795 /nfs/dbraw/zinc/35/27/95/296352795.db2.gz PTNOLNUMCFVIHK-IIDMSEBBSA-N 1 3 305.441 2.630 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccnc(N2CCCCC2)c1 ZINC000422900190 296352845 /nfs/dbraw/zinc/35/28/45/296352845.db2.gz QBONPZYGMNYKEW-DLBZAZTESA-N 1 3 302.466 2.679 20 0 DFADHO CC[C@H](NCc1ccc(OCCN(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422896409 296352154 /nfs/dbraw/zinc/35/21/54/296352154.db2.gz IDZTUHWSRTVDLO-RBUKOAKNSA-N 1 3 319.493 2.637 20 0 DFADHO c1cc(C2(C[NH2+]C3CCNCC3)CCCCC2)cc2c1OCO2 ZINC000422896858 296352429 /nfs/dbraw/zinc/35/24/29/296352429.db2.gz ITSGZSBDKILIRA-UHFFFAOYSA-N 1 3 316.445 2.959 20 0 DFADHO c1cc(C2(CNC3CC[NH2+]CC3)CCCCC2)cc2c1OCO2 ZINC000422896858 296352430 /nfs/dbraw/zinc/35/24/30/296352430.db2.gz ITSGZSBDKILIRA-UHFFFAOYSA-N 1 3 316.445 2.959 20 0 DFADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422897632 296352515 /nfs/dbraw/zinc/35/25/15/296352515.db2.gz JWVSVJLGUZJGLD-RCCFBDPRSA-N 1 3 318.436 2.604 20 0 DFADHO Cc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422898594 296352523 /nfs/dbraw/zinc/35/25/23/296352523.db2.gz FPXGGJDOGXKWIA-NZSAHSFTSA-N 1 3 314.473 2.773 20 0 DFADHO CC(C)c1nc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000422907263 296354358 /nfs/dbraw/zinc/35/43/58/296354358.db2.gz WSEBLBNVWKFNLP-OWCLPIDISA-N 1 3 323.506 2.556 20 0 DFADHO Cc1csc(CCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422911681 296354918 /nfs/dbraw/zinc/35/49/18/296354918.db2.gz UFBKIJOQYYICHE-BZUAXINKSA-N 1 3 323.506 2.521 20 0 DFADHO C[C@H](Nc1cccc(OCC[NH+](C)C)c1)c1cnccc1N ZINC000422912797 296354987 /nfs/dbraw/zinc/35/49/87/296354987.db2.gz OBBHYEVNQZKRMG-ZDUSSCGKSA-N 1 3 300.406 2.608 20 0 DFADHO FC(F)(F)COCCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422931089 296356749 /nfs/dbraw/zinc/35/67/49/296356749.db2.gz WXZPDLDRMUSRPT-KGLIPLIRSA-N 1 3 302.340 2.648 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccc(F)c(Br)c1 ZINC000422931135 296356911 /nfs/dbraw/zinc/35/69/11/296356911.db2.gz AQWIWNGXCQMXRQ-UWVGGRQHSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931135 296356913 /nfs/dbraw/zinc/35/69/13/296356913.db2.gz AQWIWNGXCQMXRQ-UWVGGRQHSA-N 1 3 303.219 2.846 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422930611 296356938 /nfs/dbraw/zinc/35/69/38/296356938.db2.gz VFYUKLUQBMFNKE-YPMHNXCESA-N 1 3 320.355 2.990 20 0 DFADHO CSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CCOCC1 ZINC000422923650 296356185 /nfs/dbraw/zinc/35/61/85/296356185.db2.gz SHOUVUMRQWAFHU-OWCLPIDISA-N 1 3 312.523 2.799 20 0 DFADHO FC(F)(F)c1ccc(OCCN[C@H]2CCC[NH2+]CC2)cc1 ZINC000422939702 296358341 /nfs/dbraw/zinc/35/83/41/296358341.db2.gz IEQBRMSVOKAGPR-ZDUSSCGKSA-N 1 3 302.340 2.816 20 0 DFADHO C[C@H](NCCc1ccc(F)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000422935953 296357486 /nfs/dbraw/zinc/35/74/86/296357486.db2.gz LJFGUUQMXJMYLF-JQWIXIFHSA-N 1 3 315.230 2.718 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOc1ccc(Br)cc1 ZINC000422944675 296358972 /nfs/dbraw/zinc/35/89/72/296358972.db2.gz LWIVZPTUBITRHC-FZMZJTMJSA-N 1 3 313.239 2.545 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCCOc1ccc(Br)cc1 ZINC000422944674 296358989 /nfs/dbraw/zinc/35/89/89/296358989.db2.gz LWIVZPTUBITRHC-BXUZGUMPSA-N 1 3 313.239 2.545 20 0 DFADHO CC(C)[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422947739 296359434 /nfs/dbraw/zinc/35/94/34/296359434.db2.gz YSJOBVSAFFPOLF-PWIZWCRZSA-N 1 3 315.505 2.799 20 0 DFADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCCO1 ZINC000624012214 399522869 /nfs/dbraw/zinc/52/28/69/399522869.db2.gz UMFYCNXCQVBJAF-LPHOPBHVSA-N 1 3 317.477 2.841 20 0 DFADHO CC(C)c1ccc(OCCN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422950686 296360089 /nfs/dbraw/zinc/36/00/89/296360089.db2.gz WNBYDWFUQBQEHU-FHLIZLRMSA-N 1 3 306.450 2.531 20 0 DFADHO CCN(CC)C(=O)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000422954376 296360486 /nfs/dbraw/zinc/36/04/86/296360486.db2.gz HLSLRGQHYOICMO-BRWVUGGUSA-N 1 3 309.498 2.535 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOc1ccccc1C(C)(C)C ZINC000422960467 296361270 /nfs/dbraw/zinc/36/12/70/296361270.db2.gz WMQHOCPCIFPBLC-ZOBUZTSGSA-N 1 3 320.477 2.705 20 0 DFADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2ccc(C)o2)CC[NH2+]CC1 ZINC000422961913 296361280 /nfs/dbraw/zinc/36/12/80/296361280.db2.gz DFWFRTXWTPHKMR-UONOGXRCSA-N 1 3 308.422 2.560 20 0 DFADHO c1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422962998 296361611 /nfs/dbraw/zinc/36/16/11/296361611.db2.gz DYMZFOOMRASONM-FVVUREQNSA-N 1 3 300.446 2.679 20 0 DFADHO C[C@@H](c1ccncc1)N1CCC([NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000422963041 296361629 /nfs/dbraw/zinc/36/16/29/296361629.db2.gz FFEBTZQNTNCDPR-GJYPPUQNSA-N 1 3 316.493 2.585 20 0 DFADHO CC[C@@H](NC1CCN([C@H](C)c2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422965574 296362023 /nfs/dbraw/zinc/36/20/23/296362023.db2.gz LQVJKEASWPMXEH-LZQZEXGQSA-N 1 3 316.493 2.727 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000422967058 296362768 /nfs/dbraw/zinc/36/27/68/296362768.db2.gz SDEHPSBLLSBYJJ-RDJZCZTQSA-N 1 3 312.461 2.701 20 0 DFADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCCc3occc32)CC[NH2+]CC1 ZINC000422969069 296362525 /nfs/dbraw/zinc/36/25/25/296362525.db2.gz YOGSYLSQOJKSLQ-UKRRQHHQSA-N 1 3 320.433 2.568 20 0 DFADHO CCCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)cn1 ZINC000422972677 296363368 /nfs/dbraw/zinc/36/33/68/296363368.db2.gz AGOAFELSILHCQG-YJBOKZPZSA-N 1 3 313.445 2.919 20 0 DFADHO COc1ccc(COCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422990807 296364446 /nfs/dbraw/zinc/36/44/46/296364446.db2.gz ODSHWTDTTNFYRI-IPMKNSEASA-N 1 3 318.461 2.722 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423001196 296365998 /nfs/dbraw/zinc/36/59/98/296365998.db2.gz DESLLJOUOVVVQO-INDMIFKZSA-N 1 3 302.462 2.663 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1cnc(C2CC2)nc1 ZINC000423009536 296367038 /nfs/dbraw/zinc/36/70/38/296367038.db2.gz DFANCWDSKYQACM-RHSMWYFYSA-N 1 3 302.466 2.797 20 0 DFADHO CN(Cc1ccco1)Cc1ccccc1CN[C@H]1CCC[C@H]1[NH3+] ZINC000423009388 296367205 /nfs/dbraw/zinc/36/72/05/296367205.db2.gz VLIDSSYPPVABKL-MOPGFXCFSA-N 1 3 313.445 2.881 20 0 DFADHO CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1N ZINC000423009388 296367207 /nfs/dbraw/zinc/36/72/07/296367207.db2.gz VLIDSSYPPVABKL-MOPGFXCFSA-N 1 3 313.445 2.881 20 0 DFADHO c1nc(C2CC2)ncc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423008462 296366965 /nfs/dbraw/zinc/36/69/65/296366965.db2.gz AJIVELHKDFROLH-KZNAEPCWSA-N 1 3 314.477 2.797 20 0 DFADHO c1ccc2c(c1)CC(CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423013847 296367651 /nfs/dbraw/zinc/36/76/51/296367651.db2.gz NMQXUMXNVUPLMZ-VAMGGRTRSA-N 1 3 314.473 2.538 20 0 DFADHO C[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])c1nc(-c2ccccc2)no1 ZINC000423014035 296367879 /nfs/dbraw/zinc/36/78/79/296367879.db2.gz NXDUQVMZOBXECP-BMFZPTHFSA-N 1 3 314.433 2.947 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)c1nc(-c2ccccc2)no1 ZINC000423014035 296367881 /nfs/dbraw/zinc/36/78/81/296367881.db2.gz NXDUQVMZOBXECP-BMFZPTHFSA-N 1 3 314.433 2.947 20 0 DFADHO COc1ccc(OC)c(CCC[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000423018797 296368533 /nfs/dbraw/zinc/36/85/33/296368533.db2.gz ZTRJGFJGNWQLND-WBVHZDCISA-N 1 3 306.450 2.744 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H]3CCC[NH2+]CC3)c2)CC1 ZINC000423035846 296370365 /nfs/dbraw/zinc/37/03/65/296370365.db2.gz ZOCVDKVVKDJOBL-KRWDZBQOSA-N 1 3 316.493 2.771 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2ccccc2Cl)CC1 ZINC000423028911 296369598 /nfs/dbraw/zinc/36/95/98/296369598.db2.gz TYQHOLTTZIDOOU-ZENOOKHLSA-N 1 3 308.853 2.714 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423028911 296369599 /nfs/dbraw/zinc/36/95/99/296369599.db2.gz TYQHOLTTZIDOOU-ZENOOKHLSA-N 1 3 308.853 2.714 20 0 DFADHO O[C@H](CCc1ccccc1)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423038245 296370566 /nfs/dbraw/zinc/37/05/66/296370566.db2.gz YAJHOVZZUSSMSP-FUMNGEBKSA-N 1 3 316.489 2.881 20 0 DFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1nn(C)c2ccccc12 ZINC000423046614 296371810 /nfs/dbraw/zinc/37/18/10/296371810.db2.gz DVPPVOKDYWAZOF-DNVCBOLYSA-N 1 3 322.456 2.664 20 0 DFADHO Cc1cccc(C[C@H](CO)N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000423057607 296373266 /nfs/dbraw/zinc/37/32/66/296373266.db2.gz HMNSTKHHPNTMOW-YTQUADARSA-N 1 3 304.478 2.799 20 0 DFADHO Cc1cccc(C[C@H](CO)N[C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000423057604 296373281 /nfs/dbraw/zinc/37/32/81/296373281.db2.gz HMNSTKHHPNTMOW-BHIYHBOVSA-N 1 3 304.478 2.799 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423058917 296373324 /nfs/dbraw/zinc/37/33/24/296373324.db2.gz KSDJEXGKJNLULO-UAFMIMERSA-N 1 3 316.489 2.799 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000423061128 296373486 /nfs/dbraw/zinc/37/34/86/296373486.db2.gz QFMXPGYROXZLHY-HXFGRODQSA-N 1 3 302.462 2.740 20 0 DFADHO CO[C@H](CCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])C(F)(F)F ZINC000423067101 296374610 /nfs/dbraw/zinc/37/46/10/296374610.db2.gz GIAFYROSOGJWNX-MRVWCRGKSA-N 1 3 304.356 2.502 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](c1ccccc1)C(F)(F)F ZINC000423066595 296374261 /nfs/dbraw/zinc/37/42/61/296374261.db2.gz XJIGQQVCDZUHEY-MHEUCROKSA-N 1 3 316.367 2.674 20 0 DFADHO CC[C@@H]([NH2+]CCN(CC)CCC(F)(F)F)[C@H]1CCCCN1 ZINC000423070206 296374801 /nfs/dbraw/zinc/37/48/01/296374801.db2.gz FSNROUOBVVNJIX-ZIAGYGMSSA-N 1 3 309.420 2.771 20 0 DFADHO Cc1cccc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423087015 296376838 /nfs/dbraw/zinc/37/68/38/296376838.db2.gz OPJOTUMFVYVVPS-AZUAARDMSA-N 1 3 323.440 2.778 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000423089354 296377188 /nfs/dbraw/zinc/37/71/88/296377188.db2.gz UXPSUVLCWKJFQI-AOIWGVFYSA-N 1 3 301.478 2.881 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCCc1cccc(OCC(F)(F)F)c1 ZINC000423092102 296377381 /nfs/dbraw/zinc/37/73/81/296377381.db2.gz AOMROMNAWGZKJS-NEPJUHHUSA-N 1 3 304.356 2.886 20 0 DFADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423092102 296377382 /nfs/dbraw/zinc/37/73/82/296377382.db2.gz AOMROMNAWGZKJS-NEPJUHHUSA-N 1 3 304.356 2.886 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCCc1cccc(OCC(F)(F)F)c1 ZINC000423092103 296377425 /nfs/dbraw/zinc/37/74/25/296377425.db2.gz AOMROMNAWGZKJS-NWDGAFQWSA-N 1 3 304.356 2.886 20 0 DFADHO C[C@H](C[C@H](C)N)[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423092103 296377427 /nfs/dbraw/zinc/37/74/27/296377427.db2.gz AOMROMNAWGZKJS-NWDGAFQWSA-N 1 3 304.356 2.886 20 0 DFADHO CC[C@H](N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423092612 296377442 /nfs/dbraw/zinc/37/74/42/296377442.db2.gz CQWALDHRQRRNIK-OWSLCNJRSA-N 1 3 321.509 2.678 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423094688 296377672 /nfs/dbraw/zinc/37/76/72/296377672.db2.gz KLUWVALDSRBXBS-DRRXZNNHSA-N 1 3 308.466 2.619 20 0 DFADHO C[C@@H](NCCc1cccc(OCC(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000423099895 296378185 /nfs/dbraw/zinc/37/81/85/296378185.db2.gz UOHPCSLJFUFJNX-TZMCWYRMSA-N 1 3 316.367 2.758 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423103905 296378666 /nfs/dbraw/zinc/37/86/66/296378666.db2.gz LRGCAPBTNIHPNB-GFCCVEGCSA-N 1 3 309.417 2.618 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120048 399559003 /nfs/dbraw/zinc/55/90/03/399559003.db2.gz QKTPLWNSEULUJI-CABCVRRESA-N 1 3 321.440 2.864 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624120048 399559008 /nfs/dbraw/zinc/55/90/08/399559008.db2.gz QKTPLWNSEULUJI-CABCVRRESA-N 1 3 321.440 2.864 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120048 399559012 /nfs/dbraw/zinc/55/90/12/399559012.db2.gz QKTPLWNSEULUJI-CABCVRRESA-N 1 3 321.440 2.864 20 0 DFADHO COCCCOc1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423107061 296379105 /nfs/dbraw/zinc/37/91/05/296379105.db2.gz PFDHNNJHKQNEKW-CRAIPNDOSA-N 1 3 306.450 2.580 20 0 DFADHO c1csc(N2CCC(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000423108112 296379333 /nfs/dbraw/zinc/37/93/33/296379333.db2.gz SSYLZFCIMWLYMF-HRCADAONSA-N 1 3 320.506 2.622 20 0 DFADHO CC(C)c1ccc(O[C@H](C)CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000423102261 296378785 /nfs/dbraw/zinc/37/87/85/296378785.db2.gz DSRZYEILKMSELQ-VVWQDTPRSA-N 1 3 320.477 2.919 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423104617 296378792 /nfs/dbraw/zinc/37/87/92/296378792.db2.gz YGHIFXGHUUQSSO-MUMJOVGASA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423104617 296378795 /nfs/dbraw/zinc/37/87/95/296378795.db2.gz YGHIFXGHUUQSSO-MUMJOVGASA-N 1 3 308.853 2.928 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000624124151 399561976 /nfs/dbraw/zinc/56/19/76/399561976.db2.gz YPOHPLVPXZGGKJ-CHWSQXEVSA-N 1 3 303.406 2.916 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1cc2ccccc2s1 ZINC000423129883 296382201 /nfs/dbraw/zinc/38/22/01/296382201.db2.gz FXZULMGIYZNRSH-VBNZEHGJSA-N 1 3 304.459 2.786 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423129883 296382202 /nfs/dbraw/zinc/38/22/02/296382202.db2.gz FXZULMGIYZNRSH-VBNZEHGJSA-N 1 3 304.459 2.786 20 0 DFADHO Brc1ccccc1CC1(NC2CC[NH2+]CC2)CC1 ZINC000423128916 296381956 /nfs/dbraw/zinc/38/19/56/296381956.db2.gz LGTRSOZPESIZAX-UHFFFAOYSA-N 1 3 309.251 2.866 20 0 DFADHO Brc1ccccc1CC1([NH2+]C2CCNCC2)CC1 ZINC000423128916 296381957 /nfs/dbraw/zinc/38/19/57/296381957.db2.gz LGTRSOZPESIZAX-UHFFFAOYSA-N 1 3 309.251 2.866 20 0 DFADHO CC(C)c1nnc(CC[NH2+][C@H]2C[C@H](N)c3ccccc32)s1 ZINC000423137403 296382889 /nfs/dbraw/zinc/38/28/89/296382889.db2.gz WLKVQLKAZDRPKQ-KBPBESRZSA-N 1 3 302.447 2.938 20 0 DFADHO c1ccc([C@@H]2C[C@H]2CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423136957 296383160 /nfs/dbraw/zinc/38/31/60/296383160.db2.gz QESGSDPEBKQQPJ-LTFXXXRZSA-N 1 3 300.446 2.537 20 0 DFADHO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000281955070 285150772 /nfs/dbraw/zinc/15/07/72/285150772.db2.gz ARRZGETVVPWOBK-PKOBYXMFSA-N 1 3 320.477 2.922 20 0 DFADHO CCC(=O)CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000347734770 285151310 /nfs/dbraw/zinc/15/13/10/285151310.db2.gz HFSZTFZEHSPCSH-IAGOWNOFSA-N 1 3 324.509 2.957 20 0 DFADHO CCCOc1c(OC)cc(CCN[C@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000423146359 296384767 /nfs/dbraw/zinc/38/47/67/296384767.db2.gz AIJCWHHBPVJOBE-GJZGRUSLSA-N 1 3 322.449 2.505 20 0 DFADHO CCC(=O)CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000347734769 285151554 /nfs/dbraw/zinc/15/15/54/285151554.db2.gz HFSZTFZEHSPCSH-CALCHBBNSA-N 1 3 324.509 2.957 20 0 DFADHO c1ccc2c(c1)SC[C@@H]2CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423147132 296385113 /nfs/dbraw/zinc/38/51/13/296385113.db2.gz RCLBCNPGGMIPEP-QSPRXWTASA-N 1 3 318.486 2.623 20 0 DFADHO CCC[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)OC ZINC000423148323 296385197 /nfs/dbraw/zinc/38/51/97/296385197.db2.gz VAIIKPIKPFHTJM-QGPMSJSTSA-N 1 3 304.434 2.647 20 0 DFADHO CCC[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)OC ZINC000423148321 296385222 /nfs/dbraw/zinc/38/52/22/296385222.db2.gz VAIIKPIKPFHTJM-HFTRVMKXSA-N 1 3 304.434 2.647 20 0 DFADHO CO[C@@H]([C@H](C)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423149426 296385380 /nfs/dbraw/zinc/38/53/80/296385380.db2.gz AOOFFUDFJRMNBK-ZAUBIYILSA-N 1 3 316.445 2.645 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000423157671 296386273 /nfs/dbraw/zinc/38/62/73/296386273.db2.gz MWUNWXFMBWXLEQ-ABAIWWIYSA-N 1 3 300.805 2.965 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423157671 296386274 /nfs/dbraw/zinc/38/62/74/296386274.db2.gz MWUNWXFMBWXLEQ-ABAIWWIYSA-N 1 3 300.805 2.965 20 0 DFADHO CC(C)(O)C(C)(C)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423162467 296386955 /nfs/dbraw/zinc/38/69/55/296386955.db2.gz PIWPIVNCEWIGOT-DNVCBOLYSA-N 1 3 318.461 2.629 20 0 DFADHO CC(C)O[C@H]1C[C@@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423165430 296387437 /nfs/dbraw/zinc/38/74/37/296387437.db2.gz PZUNVBXIZKVWFU-JHDROBOHSA-N 1 3 316.445 2.788 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423172356 296387866 /nfs/dbraw/zinc/38/78/66/296387866.db2.gz SLOKGHGKPPHIHF-XEIOYGOASA-N 1 3 302.462 2.768 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423172197 296387887 /nfs/dbraw/zinc/38/78/87/296387887.db2.gz RTBQNWNDIRUAED-NCSKVMEWSA-N 1 3 312.816 2.677 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000423174027 296388259 /nfs/dbraw/zinc/38/82/59/296388259.db2.gz AZWKKBHKXSRZKD-WZGPROSRSA-N 1 3 320.452 2.802 20 0 DFADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CCNCC1 ZINC000423175397 296388283 /nfs/dbraw/zinc/38/82/83/296388283.db2.gz AETDVJXBMHJGQY-SNVBAGLBSA-N 1 3 315.230 2.861 20 0 DFADHO C[C@H](Cc1ccc(F)cc1Br)NC1CC[NH2+]CC1 ZINC000423175397 296388284 /nfs/dbraw/zinc/38/82/84/296388284.db2.gz AETDVJXBMHJGQY-SNVBAGLBSA-N 1 3 315.230 2.861 20 0 DFADHO C[NH+](C)CCOC1CCN(Cc2ccc3occc3c2)CC1 ZINC000347771225 285166677 /nfs/dbraw/zinc/16/66/77/285166677.db2.gz INOJZGHDTDUMJR-UHFFFAOYSA-N 1 3 302.418 2.975 20 0 DFADHO Cc1cc(CN2CCC(OCC[NH+](C)C)CC2)cc(C)c1O ZINC000347771286 285166826 /nfs/dbraw/zinc/16/68/26/285166826.db2.gz IXFHWWNZVQGJDH-UHFFFAOYSA-N 1 3 306.450 2.552 20 0 DFADHO Brc1ccc2c(c1)CC[C@H]([NH2+]C1CCNCC1)C2 ZINC000423187778 296390261 /nfs/dbraw/zinc/39/02/61/296390261.db2.gz PNCARKKTAVAAMU-HNNXBMFYSA-N 1 3 309.251 2.648 20 0 DFADHO Brc1ccc2c(c1)CC[C@H](NC1CC[NH2+]CC1)C2 ZINC000423187778 296390263 /nfs/dbraw/zinc/39/02/63/296390263.db2.gz PNCARKKTAVAAMU-HNNXBMFYSA-N 1 3 309.251 2.648 20 0 DFADHO Fc1ccc(N2CCC([NH2+]C[C@H]3CCCNC3)CC2)c(F)c1 ZINC000423216054 296393386 /nfs/dbraw/zinc/39/33/86/296393386.db2.gz RHVMIDHBIYKGCQ-ZDUSSCGKSA-N 1 3 309.404 2.523 20 0 DFADHO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(N2CCOCC2)c1 ZINC000423219917 296393773 /nfs/dbraw/zinc/39/37/73/296393773.db2.gz UWFJCTDQMBPIOD-XYJFISCASA-N 1 3 317.477 2.562 20 0 DFADHO C[C@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)[C@H]1CCCNC1 ZINC000423222037 296394098 /nfs/dbraw/zinc/39/40/98/296394098.db2.gz ZHSVJOHPUHYIRR-KBPBESRZSA-N 1 3 323.431 2.911 20 0 DFADHO COc1ccc([C@@H](C)NCC[C@@H](C)[NH3+])cc1Br ZINC000423222727 296394302 /nfs/dbraw/zinc/39/43/02/296394302.db2.gz CHBRVBNSKBGEKO-NXEZZACHSA-N 1 3 301.228 2.846 20 0 DFADHO C[C@@H]([NH3+])CCN[C@H](C)c1ccc(I)cc1 ZINC000423242113 296396288 /nfs/dbraw/zinc/39/62/88/296396288.db2.gz YNGQULXAINSEAI-NXEZZACHSA-N 1 3 318.202 2.679 20 0 DFADHO CC(C)[C@H]([NH3+])CN[C@H]1CCc2cccc(Br)c2C1 ZINC000423263309 296398331 /nfs/dbraw/zinc/39/83/31/296398331.db2.gz AVHNUZQJXVETFS-SWLSCSKDSA-N 1 3 311.267 2.879 20 0 DFADHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CN1 ZINC000629395731 399592248 /nfs/dbraw/zinc/59/22/48/399592248.db2.gz QLPXMIJYFHFRSH-DNVCBOLYSA-N 1 3 319.468 2.563 20 0 DFADHO COc1cc(F)c([C@@H](C)NCC[C@H]2CCC[NH2+]C2)cc1OC ZINC000423258935 296397677 /nfs/dbraw/zinc/39/76/77/296397677.db2.gz NDSZCCIJRNXTGN-CHWSQXEVSA-N 1 3 310.413 2.883 20 0 DFADHO C[C@@H](CCC1CCCCC1)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629406487 399595301 /nfs/dbraw/zinc/59/53/01/399595301.db2.gz WQTMOKNGDOXCGL-WMLDXEAASA-N 1 3 305.470 2.651 20 0 DFADHO CC(=O)NCCc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423265142 296398562 /nfs/dbraw/zinc/39/85/62/296398562.db2.gz AUNVJQSTGNFMAV-KYNGSXCRSA-N 1 3 317.477 2.533 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423269080 296398808 /nfs/dbraw/zinc/39/88/08/296398808.db2.gz GZYHSZCBHPFQAR-NJZAAPMLSA-N 1 3 301.434 2.694 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423283762 296400919 /nfs/dbraw/zinc/40/09/19/296400919.db2.gz WEPXVNXJMKUFKE-NXHRZFHOSA-N 1 3 308.441 2.880 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423279178 296400168 /nfs/dbraw/zinc/40/01/68/296400168.db2.gz RPKURSGBFKOQIN-WBMJQRKESA-N 1 3 309.404 2.651 20 0 DFADHO CCc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000347861895 285213778 /nfs/dbraw/zinc/21/37/78/285213778.db2.gz VNSMLXZXEWDUDH-UHFFFAOYSA-N 1 3 317.477 2.721 20 0 DFADHO Clc1ccccc1C[C@H](NC[C@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000423337552 296405960 /nfs/dbraw/zinc/40/59/60/296405960.db2.gz KHDCGTMPUXEIBS-JQFCIGGWSA-N 1 3 308.853 2.629 20 0 DFADHO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cccc(OCCN(C)C)c1 ZINC000624221466 399602584 /nfs/dbraw/zinc/60/25/84/399602584.db2.gz APWSIIAWIGWJCD-POZUXBRTSA-N 1 3 318.461 2.845 20 0 DFADHO C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624221466 399602590 /nfs/dbraw/zinc/60/25/90/399602590.db2.gz APWSIIAWIGWJCD-POZUXBRTSA-N 1 3 318.461 2.845 20 0 DFADHO CC[NH+](CC)C[C@H](C)NC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423357310 296408106 /nfs/dbraw/zinc/40/81/06/296408106.db2.gz SEKHDEAXWBDMJU-GOEBONIOSA-N 1 3 305.466 2.559 20 0 DFADHO c1c2c(nn1-c1ccccc1)CCC[C@H]2NCC1=CC[NH2+]CC1 ZINC000423360184 296408174 /nfs/dbraw/zinc/40/81/74/296408174.db2.gz VXBFSQKFIQEHKI-GOSISDBHSA-N 1 3 308.429 2.759 20 0 DFADHO CC[NH+](CC)C[C@H](C)NC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423357311 296408310 /nfs/dbraw/zinc/40/83/10/296408310.db2.gz SEKHDEAXWBDMJU-HOCLYGCPSA-N 1 3 305.466 2.559 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1 ZINC000423361269 296408585 /nfs/dbraw/zinc/40/85/85/296408585.db2.gz RJVCAGUITTZASO-HUUCEWRRSA-N 1 3 303.450 2.557 20 0 DFADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423369491 296409280 /nfs/dbraw/zinc/40/92/80/296409280.db2.gz DWUOSZBURNWCNK-UBHSHLNASA-N 1 3 301.434 2.837 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000423430358 296416044 /nfs/dbraw/zinc/41/60/44/296416044.db2.gz UHMITFNLTFECFS-ZWKOTPCHSA-N 1 3 321.509 2.761 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000356445176 285247768 /nfs/dbraw/zinc/24/77/68/285247768.db2.gz JBTQLKSZJNQHFW-ZIFCJYIRSA-N 1 3 323.525 2.543 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000356445176 285247770 /nfs/dbraw/zinc/24/77/70/285247770.db2.gz JBTQLKSZJNQHFW-ZIFCJYIRSA-N 1 3 323.525 2.543 20 0 DFADHO Cc1c([C@@H](C)N[C@H](C)CCCC[NH3+])nnn1-c1ccc(F)cc1 ZINC000423439431 296416638 /nfs/dbraw/zinc/41/66/38/296416638.db2.gz SHDPFASPYJTQDO-CHWSQXEVSA-N 1 3 319.428 2.883 20 0 DFADHO C[C@@H](CCCC[NH3+])N[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000423438644 296416817 /nfs/dbraw/zinc/41/68/17/296416817.db2.gz ROJYXDNFLIYZBR-GUYCJALGSA-N 1 3 304.413 2.756 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000423460810 296418358 /nfs/dbraw/zinc/41/83/58/296418358.db2.gz BLLBVAZGNFENCF-QXRTWZOPSA-N 1 3 306.425 2.676 20 0 DFADHO C[C@H](NCCC(=O)N1CCC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934561 285255173 /nfs/dbraw/zinc/25/51/73/285255173.db2.gz OYBWJHCPOCUKIY-YESZJQIVSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](NCCC(=O)N1CCC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934561 285255177 /nfs/dbraw/zinc/25/51/77/285255177.db2.gz OYBWJHCPOCUKIY-YESZJQIVSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H]([NH2+]CCC(=O)N1CCC[C@@H]1C)[C@@H]1CCCN(C2CCC2)C1 ZINC000347934561 285255180 /nfs/dbraw/zinc/25/51/80/285255180.db2.gz OYBWJHCPOCUKIY-YESZJQIVSA-N 1 3 321.509 2.630 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1=CCCCCC1 ZINC000353711683 285275678 /nfs/dbraw/zinc/27/56/78/285275678.db2.gz CXFKOSUPFZQRTJ-SFHVURJKSA-N 1 3 321.509 2.751 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1=CCCCCC1 ZINC000353711683 285275680 /nfs/dbraw/zinc/27/56/80/285275680.db2.gz CXFKOSUPFZQRTJ-SFHVURJKSA-N 1 3 321.509 2.751 20 0 DFADHO C[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000120675572 195213934 /nfs/dbraw/zinc/21/39/34/195213934.db2.gz ZOJGLONJNCPBTL-FGTMMUONSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000120675743 195214745 /nfs/dbraw/zinc/21/47/45/195214745.db2.gz ZOJGLONJNCPBTL-KSZLIROESA-N 1 3 323.525 2.876 20 0 DFADHO CC(C)[C@H](C(=O)N[C@H](CN)c1ccc2ccccc2c1)[C@@H](C)[NH3+] ZINC000423614617 296434076 /nfs/dbraw/zinc/43/40/76/296434076.db2.gz QOBQOVWKOHHSOH-XWIAVFTESA-N 1 3 313.445 2.575 20 0 DFADHO CCc1ccc(C[NH+]2CCC(CN3CCN(C)CC3)CC2)cc1 ZINC000289480489 221007242 /nfs/dbraw/zinc/00/72/42/221007242.db2.gz QMMSPMRWXFLGGI-UHFFFAOYSA-N 1 3 315.505 2.708 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccnc1Cl ZINC000289519413 221037294 /nfs/dbraw/zinc/03/72/94/221037294.db2.gz VEIKJHWFSIHLNP-MRXNPFEDSA-N 1 3 324.900 2.583 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccnc1Cl ZINC000289519413 221037297 /nfs/dbraw/zinc/03/72/97/221037297.db2.gz VEIKJHWFSIHLNP-MRXNPFEDSA-N 1 3 324.900 2.583 20 0 DFADHO Cc1ccc(C[NH+]2CCC(CN3CCN(C)CC3)CC2)cc1C ZINC000289545741 221055203 /nfs/dbraw/zinc/05/52/03/221055203.db2.gz XESLIZAPIDZDIW-UHFFFAOYSA-N 1 3 315.505 2.763 20 0 DFADHO CC1(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)COC1 ZINC000289717640 221176104 /nfs/dbraw/zinc/17/61/04/221176104.db2.gz UOVFDLMOQORUKR-GOSISDBHSA-N 1 3 302.462 2.915 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629513629 399630508 /nfs/dbraw/zinc/63/05/08/399630508.db2.gz MGENIVSFXVIGAT-UGSOOPFHSA-N 1 3 311.429 2.641 20 0 DFADHO c1ccc2c(c1)CO[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000629513046 399630782 /nfs/dbraw/zinc/63/07/82/399630782.db2.gz JZLGXKBHTACRGO-INDMIFKZSA-N 1 3 300.446 2.638 20 0 DFADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000629521910 399634874 /nfs/dbraw/zinc/63/48/74/399634874.db2.gz SZJKFWCXQZSPGF-NSHDSACASA-N 1 3 318.339 2.744 20 0 DFADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC1(N)CCOCC1 ZINC000629523435 399634965 /nfs/dbraw/zinc/63/49/65/399634965.db2.gz GLXKMPXRKSENFZ-INIZCTEOSA-N 1 3 304.434 2.515 20 0 DFADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)NCC1([NH3+])CCOCC1 ZINC000629521816 399635483 /nfs/dbraw/zinc/63/54/83/399635483.db2.gz VGAVYDVMVVHVLN-LBPRGKRZSA-N 1 3 316.367 2.734 20 0 DFADHO OCc1ccc(F)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000629532032 399637919 /nfs/dbraw/zinc/63/79/19/399637919.db2.gz JCAQWQBWVRHTLJ-CVEARBPZSA-N 1 3 306.425 2.530 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000289991328 221365123 /nfs/dbraw/zinc/36/51/23/221365123.db2.gz YIRSDKJIAOGKJA-GHMZBOCLSA-N 1 3 300.244 2.835 20 0 DFADHO COc1ccc2oc([C@@H](C)NCCOCCC[NH3+])c(C)c2c1 ZINC000629542303 399641210 /nfs/dbraw/zinc/64/12/10/399641210.db2.gz YABBSSQSHWHRHJ-CYBMUJFWSA-N 1 3 306.406 2.766 20 0 DFADHO OCc1ccc(F)c(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000629544504 399642360 /nfs/dbraw/zinc/64/23/60/399642360.db2.gz IXAFVCBOGXXWDW-MRXNPFEDSA-N 1 3 306.425 2.530 20 0 DFADHO O[C@H](CNCC1(Cc2ccccc2)CCCC1)C[NH+]1CCCC1 ZINC000629576159 399653306 /nfs/dbraw/zinc/65/33/06/399653306.db2.gz QLTMEXMCCXXPON-LJQANCHMSA-N 1 3 316.489 2.836 20 0 DFADHO CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)CN1CCCC1)CC2 ZINC000629575587 399653674 /nfs/dbraw/zinc/65/36/74/399653674.db2.gz JKNHGYBLRMUMSL-PKOBYXMFSA-N 1 3 302.462 2.844 20 0 DFADHO CN(CCCSc1ccccc1Cl)CCOCC[NH3+] ZINC000629579589 399654050 /nfs/dbraw/zinc/65/40/50/399654050.db2.gz UKUYNYPUTHQEFD-UHFFFAOYSA-N 1 3 302.871 2.729 20 0 DFADHO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000629576377 399654152 /nfs/dbraw/zinc/65/41/52/399654152.db2.gz UIMOQFAMMZKVNX-IAGOWNOFSA-N 1 3 318.436 2.915 20 0 DFADHO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000629576377 399654154 /nfs/dbraw/zinc/65/41/54/399654154.db2.gz UIMOQFAMMZKVNX-IAGOWNOFSA-N 1 3 318.436 2.915 20 0 DFADHO CC(C)C[C@@H]1CCC[C@@H](NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000629551871 399645431 /nfs/dbraw/zinc/64/54/31/399645431.db2.gz YCYHWABAVBTBDA-ZMSDIMECSA-N 1 3 305.470 2.507 20 0 DFADHO CN(C)Cc1ccc(F)c(-c2cnn(C3CC[NH2+]CC3)c2)c1 ZINC000629736460 399708786 /nfs/dbraw/zinc/70/87/86/399708786.db2.gz GYYCPMPRNVOHIO-UHFFFAOYSA-N 1 3 302.397 2.675 20 0 DFADHO CN1CCN(Cc2ccccc2-c2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000629736236 399709249 /nfs/dbraw/zinc/70/92/49/399709249.db2.gz MDDFKGYVPGVXOH-LEWJYISDSA-N 1 3 321.468 2.916 20 0 DFADHO Cc1ncc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000090405913 542536048 /nfs/dbraw/zinc/53/60/48/542536048.db2.gz CYYUKFPANFZEOF-MJBXVCDLSA-N 1 3 311.495 2.992 20 0 DFADHO CN[C@H](CC(C)(C)C)C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000423721888 296441810 /nfs/dbraw/zinc/44/18/10/296441810.db2.gz CJNBJTRRKNGYTP-WCXIOVBPSA-N 1 3 323.525 2.874 20 0 DFADHO C[C@H](NCc1cccnc1OCC(F)F)C1CC[NH+](C)CC1 ZINC000090942505 542539115 /nfs/dbraw/zinc/53/91/15/542539115.db2.gz KLYJTQOTRIYDAB-LBPRGKRZSA-N 1 3 313.392 2.545 20 0 DFADHO C[C@H]1SCCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000093499758 542554179 /nfs/dbraw/zinc/55/41/79/542554179.db2.gz YBDSGEBEDZPTTD-LSDHHAIUSA-N 1 3 308.491 2.953 20 0 DFADHO CCC[C@H]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507954 399719854 /nfs/dbraw/zinc/71/98/54/399719854.db2.gz PNYCXBKDWLOQRK-YESZJQIVSA-N 1 3 311.514 2.591 20 0 DFADHO CCC[C@H]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507954 399719856 /nfs/dbraw/zinc/71/98/56/399719856.db2.gz PNYCXBKDWLOQRK-YESZJQIVSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CC1(C)CCCCC1 ZINC000617506617 399720792 /nfs/dbraw/zinc/72/07/92/399720792.db2.gz TYOSIFRFYFGURG-INIZCTEOSA-N 1 3 311.514 2.735 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CC1(C)CCCCC1 ZINC000617506617 399720793 /nfs/dbraw/zinc/72/07/93/399720793.db2.gz TYOSIFRFYFGURG-INIZCTEOSA-N 1 3 311.514 2.735 20 0 DFADHO CC(C)CN(C(=O)c1ccc([C@@H](C)[NH3+])cc1)C1CCN(C)CC1 ZINC000423737434 296442697 /nfs/dbraw/zinc/44/26/97/296442697.db2.gz APOUDSVGORQEGC-OAHLLOKOSA-N 1 3 317.477 2.899 20 0 DFADHO [NH3+]CCCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423749794 296443367 /nfs/dbraw/zinc/44/33/67/296443367.db2.gz CBYBGDUXZYXIRZ-UHFFFAOYSA-N 1 3 323.868 2.503 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(c2ccccn2)CC1)CN1CCCCC1 ZINC000121590321 195312729 /nfs/dbraw/zinc/31/27/29/195312729.db2.gz HNTMUDUWPCFVHU-KRWDZBQOSA-N 1 3 316.493 2.762 20 0 DFADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000603432614 399775518 /nfs/dbraw/zinc/77/55/18/399775518.db2.gz JKGLJXASADUORW-OLZOCXBDSA-N 1 3 318.339 2.679 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)N(C)C1CC1 ZINC000340232281 131239180 /nfs/dbraw/zinc/23/91/80/131239180.db2.gz QFYJKCGXZXOGGY-SUMDDJOVSA-N 1 3 301.478 2.894 20 0 DFADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(N2CCSCC2)CCCC1 ZINC000166142121 542750603 /nfs/dbraw/zinc/75/06/03/542750603.db2.gz VAOXKUCJLTZXDL-DLBZAZTESA-N 1 3 323.550 2.564 20 0 DFADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1(N2CCSCC2)CCCC1 ZINC000166142121 542750607 /nfs/dbraw/zinc/75/06/07/542750607.db2.gz VAOXKUCJLTZXDL-DLBZAZTESA-N 1 3 323.550 2.564 20 0 DFADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(OCCN(C)C)c1 ZINC000178313516 542776362 /nfs/dbraw/zinc/77/63/62/542776362.db2.gz BHJUUQBMWGHQOE-LIRZEXBASA-N 1 3 304.434 2.598 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000237932478 542907739 /nfs/dbraw/zinc/90/77/39/542907739.db2.gz IPVYEDWZZZWVMI-DLBZAZTESA-N 1 3 301.434 2.738 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2c[nH]nc2C)[C@H](C)C1 ZINC000245882425 542918067 /nfs/dbraw/zinc/91/80/67/542918067.db2.gz BGKLGOIHXNFPHI-CPUCHLNUSA-N 1 3 308.470 2.506 20 0 DFADHO CC[C@H]1CN(CCC(=O)Nc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000251895660 542946641 /nfs/dbraw/zinc/94/66/41/542946641.db2.gz WKBNPGFBEJZMNT-SWLSCSKDSA-N 1 3 309.841 2.728 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000261584741 542952029 /nfs/dbraw/zinc/95/20/29/542952029.db2.gz SOOWNLMSKUIZPI-ZOWXZIJZSA-N 1 3 311.267 2.968 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000261584741 542952032 /nfs/dbraw/zinc/95/20/32/542952032.db2.gz SOOWNLMSKUIZPI-ZOWXZIJZSA-N 1 3 311.267 2.968 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000293774007 543021963 /nfs/dbraw/zinc/02/19/63/543021963.db2.gz SKJKDWJGPQGKJM-GXTWGEPZSA-N 1 3 315.383 2.963 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000293774007 543021968 /nfs/dbraw/zinc/02/19/68/543021968.db2.gz SKJKDWJGPQGKJM-GXTWGEPZSA-N 1 3 315.383 2.963 20 0 DFADHO C[C@H]1C[C@H](CCNCc2cncnc2)C[N@@H+]1Cc1ccccc1 ZINC000338195244 543135210 /nfs/dbraw/zinc/13/52/10/543135210.db2.gz MFKCAAFZUMESKZ-WMZOPIPTSA-N 1 3 310.445 2.867 20 0 DFADHO C[C@H]1C[C@H](CCNCc2cncnc2)C[N@H+]1Cc1ccccc1 ZINC000338195244 543135212 /nfs/dbraw/zinc/13/52/12/543135212.db2.gz MFKCAAFZUMESKZ-WMZOPIPTSA-N 1 3 310.445 2.867 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000339233459 543141255 /nfs/dbraw/zinc/14/12/55/543141255.db2.gz CNRFVRSXMOVXOI-AEFFLSMTSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000339233459 543141257 /nfs/dbraw/zinc/14/12/57/543141257.db2.gz CNRFVRSXMOVXOI-AEFFLSMTSA-N 1 3 317.477 2.670 20 0 DFADHO COC1(C)CCN(CC[C@H](C)[NH+]2CCC(C)(OC)CC2)CC1 ZINC000342180130 543161773 /nfs/dbraw/zinc/16/17/73/543161773.db2.gz OOTXLNCNVBJCLE-INIZCTEOSA-N 1 3 312.498 2.767 20 0 DFADHO COC1(C)CCN([C@@H](C)CC[NH+]2CCC(C)(OC)CC2)CC1 ZINC000342180130 543161776 /nfs/dbraw/zinc/16/17/76/543161776.db2.gz OOTXLNCNVBJCLE-INIZCTEOSA-N 1 3 312.498 2.767 20 0 DFADHO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000425352977 296571763 /nfs/dbraw/zinc/57/17/63/296571763.db2.gz MYMOWGFORYLOTI-QZTJIDSGSA-N 1 3 320.502 2.627 20 0 DFADHO O=C(C[C@H]1CCC[NH2+]1)Nc1cccc(CN2CCCCC2)c1 ZINC000165137579 145229746 /nfs/dbraw/zinc/22/97/46/145229746.db2.gz PBGRTYSGOZPMDR-MRXNPFEDSA-N 1 3 301.434 2.753 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1c(C)nn(CC)c1C ZINC000166034119 145232632 /nfs/dbraw/zinc/23/26/32/145232632.db2.gz VEFGIVWPJUOAIZ-BBRMVZONSA-N 1 3 310.486 2.527 20 0 DFADHO CN(C)[C@@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)C1CC1 ZINC000166232109 145234693 /nfs/dbraw/zinc/23/46/93/145234693.db2.gz XWHMDUQVTARGBJ-FQEVSTJZSA-N 1 3 315.505 2.623 20 0 DFADHO CC1CCC([NH+]2CCC(N(C)C(=O)[C@@H]3CCCCN3)CC2)CC1 ZINC000166557556 145236058 /nfs/dbraw/zinc/23/60/58/145236058.db2.gz JOPALDSGYSQVQX-VJFUWPCTSA-N 1 3 321.509 2.630 20 0 DFADHO NCCC[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415106696 543328887 /nfs/dbraw/zinc/32/88/87/543328887.db2.gz NDRJNAVHGGNQJR-UHFFFAOYSA-N 1 3 315.383 2.608 20 0 DFADHO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCCCCC1 ZINC000174383228 145377515 /nfs/dbraw/zinc/37/75/15/145377515.db2.gz NLXXTLFCTMOGKY-MSOLQXFVSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000174721219 145388638 /nfs/dbraw/zinc/38/86/38/145388638.db2.gz OAWMSBUWOXVCNZ-UIBIWLFHSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000174721219 145388641 /nfs/dbraw/zinc/38/86/41/145388641.db2.gz OAWMSBUWOXVCNZ-UIBIWLFHSA-N 1 3 321.509 2.628 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633953364 399964795 /nfs/dbraw/zinc/96/47/95/399964795.db2.gz GQMHMDSCDCDRHM-QGZVFWFLSA-N 1 3 321.509 2.728 20 0 DFADHO CCC[C@@H](C(=O)N1CCC(CC)([NH+]2CCCC2)CC1)N(C)C ZINC000633954633 399965368 /nfs/dbraw/zinc/96/53/68/399965368.db2.gz VSSBCSDIOHJEOI-INIZCTEOSA-N 1 3 309.498 2.584 20 0 DFADHO COc1ccccc1N1CCC([NH2+]CCCN(C)C(C)C)CC1 ZINC000631038875 399966911 /nfs/dbraw/zinc/96/69/11/399966911.db2.gz AHYOHGHHDGARIN-UHFFFAOYSA-N 1 3 319.493 2.984 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2csc(C)c2C)CC1 ZINC000631040307 399967544 /nfs/dbraw/zinc/96/75/44/399967544.db2.gz BDHAIWAAEREDMV-UHFFFAOYSA-N 1 3 309.523 2.872 20 0 DFADHO COc1cc(F)cc(OC)c1CNC1CCC([NH+](C)C)CC1 ZINC000631162174 399993192 /nfs/dbraw/zinc/99/31/92/399993192.db2.gz YRFAIXYJHDDXGB-UHFFFAOYSA-N 1 3 310.413 2.805 20 0 DFADHO CC[C@@H]1CCCC[C@H]1C[NH+]1CCN([C@H]2CCCN(C)C2)CC1 ZINC000628167264 399995197 /nfs/dbraw/zinc/99/51/97/399995197.db2.gz INVSSXBRAIBMOS-QYZOEREBSA-N 1 3 307.526 2.915 20 0 DFADHO CC[C@@H]1CCCC[C@H]1C[NH+]1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000628167261 399995271 /nfs/dbraw/zinc/99/52/71/399995271.db2.gz INVSSXBRAIBMOS-CEXWTWQISA-N 1 3 307.526 2.915 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc(C)o2)CC1 ZINC000628186445 399998234 /nfs/dbraw/zinc/99/82/34/399998234.db2.gz KYUJCLSUGSAZMP-UHFFFAOYSA-N 1 3 309.454 2.553 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc(C)o2)CC1 ZINC000628186445 399998235 /nfs/dbraw/zinc/99/82/35/399998235.db2.gz KYUJCLSUGSAZMP-UHFFFAOYSA-N 1 3 309.454 2.553 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(C3CC3)o2)C[C@H](C)O1 ZINC000628218304 400003366 /nfs/dbraw/zinc/00/33/66/400003366.db2.gz ARLUJFGZCHXRDY-OKILXGFUSA-N 1 3 307.438 2.531 20 0 DFADHO CCN1CCN(CCC[NH2+]C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000628232790 400005173 /nfs/dbraw/zinc/00/51/73/400005173.db2.gz NTDRRUUTGIDRKJ-GOSISDBHSA-N 1 3 303.494 2.716 20 0 DFADHO C[C@@]1(C[NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CCCS1 ZINC000628337989 400022496 /nfs/dbraw/zinc/02/24/96/400022496.db2.gz XABIZXJDNGBUBL-MSOLQXFVSA-N 1 3 320.502 2.629 20 0 DFADHO CCC[C@H](NCCN1CCC([NH+](C)C)CC1)c1cc(C)ccn1 ZINC000631584016 400054749 /nfs/dbraw/zinc/05/47/49/400054749.db2.gz AVTDSNFEXCDBOM-SFHVURJKSA-N 1 3 318.509 2.847 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000631668192 400064357 /nfs/dbraw/zinc/06/43/57/400064357.db2.gz WBQILNCIORDPIS-BQFCYCMXSA-N 1 3 312.461 2.839 20 0 DFADHO Cc1cc(C)c(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(C)n1 ZINC000631829548 400078148 /nfs/dbraw/zinc/07/81/48/400078148.db2.gz TZSKAVRKZVGOIJ-UHOSZYNNSA-N 1 3 317.477 2.868 20 0 DFADHO C[C@@H](NCCOCC[NH+](C)C)c1ccccc1OC(F)F ZINC000219317539 146000449 /nfs/dbraw/zinc/00/04/49/146000449.db2.gz KRFFZJGYSBHKOH-GFCCVEGCSA-N 1 3 302.365 2.517 20 0 DFADHO C[NH+]1CCC(C)(CNCc2cncc(Br)c2)CC1 ZINC000231775315 146017023 /nfs/dbraw/zinc/01/70/23/146017023.db2.gz ODNAMNYMGUGPJA-UHFFFAOYSA-N 1 3 312.255 2.666 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@H](C)c1ccccc1Br ZINC000234697465 146017838 /nfs/dbraw/zinc/01/78/38/146017838.db2.gz WZIWVDPYRHCEKZ-NEPJUHHUSA-N 1 3 315.255 2.854 20 0 DFADHO COC(=O)C1CCC([NH2+]Cc2ccc(CN(C)C)cc2)CC1 ZINC000237119794 146037658 /nfs/dbraw/zinc/03/76/58/146037658.db2.gz LVPYBBFRARSFBW-UHFFFAOYSA-N 1 3 304.434 2.570 20 0 DFADHO CCC[C@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245710388 146096443 /nfs/dbraw/zinc/09/64/43/146096443.db2.gz NDHVIYILBLJWHH-OKYOBFRVSA-N 1 3 302.462 2.933 20 0 DFADHO CCC[C@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245710388 146096448 /nfs/dbraw/zinc/09/64/48/146096448.db2.gz NDHVIYILBLJWHH-OKYOBFRVSA-N 1 3 302.462 2.933 20 0 DFADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000245745788 146099324 /nfs/dbraw/zinc/09/93/24/146099324.db2.gz MRYSHNDXXNEZOT-VKJFTORMSA-N 1 3 320.477 2.928 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000247008180 146159007 /nfs/dbraw/zinc/15/90/07/146159007.db2.gz KFNFUPAEOBEQKG-CWRNSKLLSA-N 1 3 304.434 2.981 20 0 DFADHO FC(F)COCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000249032363 146182840 /nfs/dbraw/zinc/18/28/40/146182840.db2.gz LTLXIWDBRLAGHY-IXDOHACOSA-N 1 3 324.415 2.768 20 0 DFADHO FC(F)COCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000249032363 146182843 /nfs/dbraw/zinc/18/28/43/146182843.db2.gz LTLXIWDBRLAGHY-IXDOHACOSA-N 1 3 324.415 2.768 20 0 DFADHO FC(F)COCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000249032363 146182847 /nfs/dbraw/zinc/18/28/47/146182847.db2.gz LTLXIWDBRLAGHY-IXDOHACOSA-N 1 3 324.415 2.768 20 0 DFADHO CO[C@H](C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000249091640 146187609 /nfs/dbraw/zinc/18/76/09/146187609.db2.gz NMUYFVYVFBWATI-QXCFHYIPSA-N 1 3 302.462 2.912 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000249163070 146190059 /nfs/dbraw/zinc/19/00/59/146190059.db2.gz ZNQLFWZCYAKVGK-RLLQIKCJSA-N 1 3 315.505 2.828 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261557845 146240894 /nfs/dbraw/zinc/24/08/94/146240894.db2.gz XRWHKRCEIVSMBU-HKUYNNGSSA-N 1 3 301.478 2.758 20 0 DFADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000261738280 146268131 /nfs/dbraw/zinc/26/81/31/146268131.db2.gz NQSAUFXYDKTMIZ-CABCVRRESA-N 1 3 319.424 2.708 20 0 DFADHO CCn1nc(C)c(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1C ZINC000261789840 146277801 /nfs/dbraw/zinc/27/78/01/146277801.db2.gz UXAJDWILLOAUBW-MJGOQNOKSA-N 1 3 312.461 2.694 20 0 DFADHO C[C@]1(CN2CCCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261907095 146299091 /nfs/dbraw/zinc/29/90/91/146299091.db2.gz XIQCZTUNWCDCFO-SFHVURJKSA-N 1 3 321.896 2.847 20 0 DFADHO c1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)n(-c2ccccc2)n1 ZINC000261920598 146301185 /nfs/dbraw/zinc/30/11/85/146301185.db2.gz KLZDRKJABZOVKU-IBGZPJMESA-N 1 3 310.445 2.836 20 0 DFADHO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000261929631 146304494 /nfs/dbraw/zinc/30/44/94/146304494.db2.gz LKJRHZVGGIBABO-DLBZAZTESA-N 1 3 312.461 2.809 20 0 DFADHO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000261929631 146304497 /nfs/dbraw/zinc/30/44/97/146304497.db2.gz LKJRHZVGGIBABO-DLBZAZTESA-N 1 3 312.461 2.809 20 0 DFADHO Cc1nc2ccccc2n1C[C@H]1CCCN1C[C@H]1CCC[NH2+]C1 ZINC000261929631 146304503 /nfs/dbraw/zinc/30/45/03/146304503.db2.gz LKJRHZVGGIBABO-DLBZAZTESA-N 1 3 312.461 2.809 20 0 DFADHO Cc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2ccnn2C)c1 ZINC000261981121 146315354 /nfs/dbraw/zinc/31/53/54/146315354.db2.gz RIUCLQVAXSDWOA-SNRMKQJTSA-N 1 3 324.472 2.955 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2CCC3(C2)CC[NH2+]CC3)o1 ZINC000262133111 146337054 /nfs/dbraw/zinc/33/70/54/146337054.db2.gz YIOXLODWMYEVSU-UHFFFAOYSA-N 1 3 300.406 2.554 20 0 DFADHO C[NH2+]CC1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000262148799 146339258 /nfs/dbraw/zinc/33/92/58/146339258.db2.gz QTYFPSICGSZAGU-LJQANCHMSA-N 1 3 318.461 2.676 20 0 DFADHO COCc1cccc(OCC2(CN3CC[C@H](C[NH3+])C3)CCC2)c1 ZINC000262191809 146342071 /nfs/dbraw/zinc/34/20/71/146342071.db2.gz YTFUNWWSDHIPNU-QGZVFWFLSA-N 1 3 318.461 2.663 20 0 DFADHO CCC[C@](C)(N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000262707272 146384298 /nfs/dbraw/zinc/38/42/98/146384298.db2.gz NGTBLBNNKVYGAA-KXBFYZLASA-N 1 3 317.477 2.846 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000354806144 147158101 /nfs/dbraw/zinc/15/81/01/147158101.db2.gz ZWVIRTVKSGSGIA-KRWDZBQOSA-N 1 3 323.481 2.645 20 0 DFADHO C[N@H+](CC1CCN(c2ccncc2)CC1)CC1(O)CCCC1 ZINC000354892983 147190947 /nfs/dbraw/zinc/19/09/47/147190947.db2.gz IAKXFWPNXXGILH-UHFFFAOYSA-N 1 3 303.450 2.535 20 0 DFADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)CC1(O)CCCC1 ZINC000354892983 147190954 /nfs/dbraw/zinc/19/09/54/147190954.db2.gz IAKXFWPNXXGILH-UHFFFAOYSA-N 1 3 303.450 2.535 20 0 DFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000355408921 147303069 /nfs/dbraw/zinc/30/30/69/147303069.db2.gz LARGOHQDHVAGMC-IAGOWNOFSA-N 1 3 311.514 2.686 20 0 DFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000355408920 147303986 /nfs/dbraw/zinc/30/39/86/147303986.db2.gz LARGOHQDHVAGMC-CALCHBBNSA-N 1 3 311.514 2.686 20 0 DFADHO Cc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)ccc1Cl ZINC000355678479 147408694 /nfs/dbraw/zinc/40/86/94/147408694.db2.gz FBQPCRBMIQEMNM-UHFFFAOYSA-N 1 3 310.869 2.973 20 0 DFADHO CCN(C(=O)[C@H](C)N1CCC(C[NH+](C)C)CC1)C1CCCCC1 ZINC000356604052 147751750 /nfs/dbraw/zinc/75/17/50/147751750.db2.gz LHPKQCBWIGFSDG-INIZCTEOSA-N 1 3 323.525 2.830 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000357635821 148065438 /nfs/dbraw/zinc/06/54/38/148065438.db2.gz KCSSPJLOYWXYSE-KXBFYZLASA-N 1 3 302.462 2.841 20 0 DFADHO COc1cc2c(c(CN3CCC(C[NH+](C)C)CC3)c1)O[C@@H](C)C2 ZINC000350149889 286011291 /nfs/dbraw/zinc/01/12/91/286011291.db2.gz VNONNEZWKZEOMW-AWEZNQCLSA-N 1 3 318.461 2.792 20 0 DFADHO CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C12CCOCC2 ZINC000357847660 148148066 /nfs/dbraw/zinc/14/80/66/148148066.db2.gz JNLBXJCVCWEVOI-SJORKVTESA-N 1 3 324.509 2.672 20 0 DFADHO CCO[C@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)C12CCOCC2 ZINC000357847660 148148068 /nfs/dbraw/zinc/14/80/68/148148068.db2.gz JNLBXJCVCWEVOI-SJORKVTESA-N 1 3 324.509 2.672 20 0 DFADHO CC(C)[C@@H]1C[C@@H](CNCc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425892864 296602930 /nfs/dbraw/zinc/60/29/30/296602930.db2.gz AVJDHKALXLPKKY-KSSFIOAISA-N 1 3 321.465 2.682 20 0 DFADHO COCC[C@@H](NCc1cc(C2CC[NH2+]CC2)no1)C(C)(C)C ZINC000425894458 296603186 /nfs/dbraw/zinc/60/31/86/296603186.db2.gz GTDCLECSHRLRER-MRXNPFEDSA-N 1 3 309.454 2.682 20 0 DFADHO c1c(CN[C@H]2C[C@@H]2Cc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425904476 296603745 /nfs/dbraw/zinc/60/37/45/296603745.db2.gz YSJFJCOLYNMNBY-WMZOPIPTSA-N 1 3 311.429 2.862 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358103367 148243816 /nfs/dbraw/zinc/24/38/16/148243816.db2.gz KJWOVWUXCKOLKC-SOLBZPMBSA-N 1 3 321.509 2.630 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358103367 148243819 /nfs/dbraw/zinc/24/38/19/148243819.db2.gz KJWOVWUXCKOLKC-SOLBZPMBSA-N 1 3 321.509 2.630 20 0 DFADHO CC[NH+](CC)CCOCCNCc1ccc(F)c(Cl)c1 ZINC000350267036 286022939 /nfs/dbraw/zinc/02/29/39/286022939.db2.gz NQKXPXBZBOHOHN-UHFFFAOYSA-N 1 3 302.821 2.927 20 0 DFADHO Cc1ccc(NC(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)cc1C ZINC000358521715 148382353 /nfs/dbraw/zinc/38/23/53/148382353.db2.gz YOQDHTMCHANGLI-MRXNPFEDSA-N 1 3 315.461 2.706 20 0 DFADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCCCC1CCCCC1 ZINC000358520455 148382397 /nfs/dbraw/zinc/38/23/97/148382397.db2.gz UWJIVSJUZISSQN-UHFFFAOYSA-N 1 3 321.509 2.539 20 0 DFADHO Cc1n[nH]cc1CN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350556396 286057979 /nfs/dbraw/zinc/05/79/79/286057979.db2.gz LXKNRFXLHOEYIU-IEBWSBKVSA-N 1 3 312.461 2.890 20 0 DFADHO Cc1n[nH]cc1CN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350556395 286057989 /nfs/dbraw/zinc/05/79/89/286057989.db2.gz LXKNRFXLHOEYIU-HKUYNNGSSA-N 1 3 312.461 2.890 20 0 DFADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000360289779 148837204 /nfs/dbraw/zinc/83/72/04/148837204.db2.gz BIUAPEINPNNIIB-PBHICJAKSA-N 1 3 321.509 2.534 20 0 DFADHO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc(OCCN(C)C)c1 ZINC000361075564 149022812 /nfs/dbraw/zinc/02/28/12/149022812.db2.gz HJKMDUJVOSWSLY-RDJZCZTQSA-N 1 3 317.477 2.514 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000361310527 149081764 /nfs/dbraw/zinc/08/17/64/149081764.db2.gz TUZLURCSAPJHPC-CEXWTWQISA-N 1 3 302.462 2.975 20 0 DFADHO OC1(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000361685816 149191967 /nfs/dbraw/zinc/19/19/67/149191967.db2.gz GPPQGRJBRPAVDX-OALUTQOASA-N 1 3 314.473 2.888 20 0 DFADHO OC1(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000361685816 149191974 /nfs/dbraw/zinc/19/19/74/149191974.db2.gz GPPQGRJBRPAVDX-OALUTQOASA-N 1 3 314.473 2.888 20 0 DFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000361838331 149234281 /nfs/dbraw/zinc/23/42/81/149234281.db2.gz SIBDEWJIUHUHBU-QZWWFDLISA-N 1 3 309.498 2.628 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCNc1ncc(Cl)cc1Cl ZINC000361876597 149242857 /nfs/dbraw/zinc/24/28/57/149242857.db2.gz FSGVGMCQEUXAHH-ZWNOBZJWSA-N 1 3 317.264 2.730 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCNc1ncc(Cl)cc1Cl ZINC000361876597 149242859 /nfs/dbraw/zinc/24/28/59/149242859.db2.gz FSGVGMCQEUXAHH-ZWNOBZJWSA-N 1 3 317.264 2.730 20 0 DFADHO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000361889545 149247934 /nfs/dbraw/zinc/24/79/34/149247934.db2.gz BEQMBXOZISHBIG-GFCCVEGCSA-N 1 3 311.495 2.682 20 0 DFADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000361966630 149267843 /nfs/dbraw/zinc/26/78/43/149267843.db2.gz NPNMYKKNFXNQRL-HKUYNNGSSA-N 1 3 316.493 2.508 20 0 DFADHO COc1ccc(CN2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)nc1 ZINC000361988587 149271820 /nfs/dbraw/zinc/27/18/20/149271820.db2.gz XCPZLFDMFGBDEI-HNNXBMFYSA-N 1 3 315.461 2.787 20 0 DFADHO COc1ccc(CN2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)nc1 ZINC000361988587 149271822 /nfs/dbraw/zinc/27/18/22/149271822.db2.gz XCPZLFDMFGBDEI-HNNXBMFYSA-N 1 3 315.461 2.787 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000351270184 286119460 /nfs/dbraw/zinc/11/94/60/286119460.db2.gz NMEXXDMCUPALIM-SFHVURJKSA-N 1 3 304.482 2.568 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000351270184 286119461 /nfs/dbraw/zinc/11/94/61/286119461.db2.gz NMEXXDMCUPALIM-SFHVURJKSA-N 1 3 304.482 2.568 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OCc4ccncc4)cc3)C[C@H]12 ZINC000351472900 286129013 /nfs/dbraw/zinc/12/90/13/286129013.db2.gz BSZYQOKCXGUDMX-YZGWKJHDSA-N 1 3 323.440 2.830 20 0 DFADHO CSc1ccc([C@@H](C)NCCOCC[NH+](C)C)cc1F ZINC000351501099 286137136 /nfs/dbraw/zinc/13/71/36/286137136.db2.gz IHHBIKOOFHUOHD-GFCCVEGCSA-N 1 3 300.443 2.776 20 0 DFADHO C[C@H](CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000371425605 150044944 /nfs/dbraw/zinc/04/49/44/150044944.db2.gz TXHJRGJJUADSIC-YLJYHZDGSA-N 1 3 315.505 2.890 20 0 DFADHO C[C@H](CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000371425605 150044947 /nfs/dbraw/zinc/04/49/47/150044947.db2.gz TXHJRGJJUADSIC-YLJYHZDGSA-N 1 3 315.505 2.890 20 0 DFADHO Cc1cccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1C ZINC000371470423 150052348 /nfs/dbraw/zinc/05/23/48/150052348.db2.gz LIELCTHPYSIOKH-GUDVDZBRSA-N 1 3 302.462 2.987 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000371517497 150059265 /nfs/dbraw/zinc/05/92/65/150059265.db2.gz FDRGTELHYOWOPG-OMZCVMJRSA-N 1 3 315.505 2.998 20 0 DFADHO C[N@@H+](CC1=CCCOC1)CC1CCN(c2ccncc2)CC1 ZINC000371900537 150111344 /nfs/dbraw/zinc/11/13/44/150111344.db2.gz ZMDOFCNPEILAFH-UHFFFAOYSA-N 1 3 301.434 2.577 20 0 DFADHO C[N@H+](CC1=CCCOC1)CC1CCN(c2ccncc2)CC1 ZINC000371900537 150111346 /nfs/dbraw/zinc/11/13/46/150111346.db2.gz ZMDOFCNPEILAFH-UHFFFAOYSA-N 1 3 301.434 2.577 20 0 DFADHO CN(C)[C@@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000372988590 150212369 /nfs/dbraw/zinc/21/23/69/150212369.db2.gz DLTYGWYAMXJFTP-OAHLLOKOSA-N 1 3 320.433 2.600 20 0 DFADHO CN(C)[C@@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000372988590 150212372 /nfs/dbraw/zinc/21/23/72/150212372.db2.gz DLTYGWYAMXJFTP-OAHLLOKOSA-N 1 3 320.433 2.600 20 0 DFADHO C[C@@H](CCN1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000373912655 150277239 /nfs/dbraw/zinc/27/72/39/150277239.db2.gz QMEKZUMRJYOCAL-ICSRJNTNSA-N 1 3 315.505 2.892 20 0 DFADHO C[C@@H](CCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000373912655 150277242 /nfs/dbraw/zinc/27/72/42/150277242.db2.gz QMEKZUMRJYOCAL-ICSRJNTNSA-N 1 3 315.505 2.892 20 0 DFADHO OCCCCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374065703 150301392 /nfs/dbraw/zinc/30/13/92/150301392.db2.gz MOLILFFXLLNSJM-LJQANCHMSA-N 1 3 302.462 2.747 20 0 DFADHO OCCCCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374065703 150301396 /nfs/dbraw/zinc/30/13/96/150301396.db2.gz MOLILFFXLLNSJM-LJQANCHMSA-N 1 3 302.462 2.747 20 0 DFADHO C[NH+]1CCC2(CCCN(C[C@@H](O)c3ccccc3F)C2)CC1 ZINC000374074465 150303216 /nfs/dbraw/zinc/30/32/16/150303216.db2.gz KTIJHJGNUHJCIG-QGZVFWFLSA-N 1 3 306.425 2.667 20 0 DFADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000374232554 150327534 /nfs/dbraw/zinc/32/75/34/150327534.db2.gz VXNKVGJPZMWPNY-UHOSZYNNSA-N 1 3 315.505 2.794 20 0 DFADHO CCn1cc(CN2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cn1 ZINC000374283007 150335479 /nfs/dbraw/zinc/33/54/79/150335479.db2.gz KPCZHQRCGMTQNB-MRXNPFEDSA-N 1 3 302.466 2.599 20 0 DFADHO CCn1cc(CN2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)cn1 ZINC000374283007 150335481 /nfs/dbraw/zinc/33/54/81/150335481.db2.gz KPCZHQRCGMTQNB-MRXNPFEDSA-N 1 3 302.466 2.599 20 0 DFADHO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCN(C)[C@H](C)C2)CN1Cc1ccccc1 ZINC000374526373 150372921 /nfs/dbraw/zinc/37/29/21/150372921.db2.gz HLYQEZASWQDCAL-IZBJGVDFSA-N 1 3 315.505 2.969 20 0 DFADHO CN1CC[C@@H](NCC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccccc1 ZINC000352099174 286291207 /nfs/dbraw/zinc/29/12/07/286291207.db2.gz FFPKZYGSSVJAKK-QRVBRYPASA-N 1 3 301.478 2.896 20 0 DFADHO CN1CC[C@@H](NCC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000352099174 286291208 /nfs/dbraw/zinc/29/12/08/286291208.db2.gz FFPKZYGSSVJAKK-QRVBRYPASA-N 1 3 301.478 2.896 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)N2CCCC2)o1 ZINC000360897396 292255386 /nfs/dbraw/zinc/25/53/86/292255386.db2.gz MJRKKOJOPLBJTH-OIISXLGYSA-N 1 3 305.466 2.655 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@H]2C)N2CCCC2)o1 ZINC000360897396 292255388 /nfs/dbraw/zinc/25/53/88/292255388.db2.gz MJRKKOJOPLBJTH-OIISXLGYSA-N 1 3 305.466 2.655 20 0 DFADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C)C[C@H]2C)N2CCCC2)o1 ZINC000360897396 292255389 /nfs/dbraw/zinc/25/53/89/292255389.db2.gz MJRKKOJOPLBJTH-OIISXLGYSA-N 1 3 305.466 2.655 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cnn(CC(F)F)c1 ZINC000352131945 286300359 /nfs/dbraw/zinc/30/03/59/286300359.db2.gz WUEWHLLVKQDISU-AWEZNQCLSA-N 1 3 314.424 2.892 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cnn(CC(F)F)c1 ZINC000352131945 286300362 /nfs/dbraw/zinc/30/03/62/286300362.db2.gz WUEWHLLVKQDISU-AWEZNQCLSA-N 1 3 314.424 2.892 20 0 DFADHO CCc1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cn1 ZINC000352774359 286463755 /nfs/dbraw/zinc/46/37/55/286463755.db2.gz XBYBXRXKFQDVLE-UHFFFAOYSA-N 1 3 313.445 2.874 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(SC)s1 ZINC000352824176 286477191 /nfs/dbraw/zinc/47/71/91/286477191.db2.gz CWVWWPMPWBXCEJ-LBPRGKRZSA-N 1 3 302.509 2.916 20 0 DFADHO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000185633543 158066094 /nfs/dbraw/zinc/06/60/94/158066094.db2.gz BCFAUGFMCGJSPX-NJAFHUGGSA-N 1 3 317.477 2.526 20 0 DFADHO CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000185633543 158066095 /nfs/dbraw/zinc/06/60/95/158066095.db2.gz BCFAUGFMCGJSPX-NJAFHUGGSA-N 1 3 317.477 2.526 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247194427 158123377 /nfs/dbraw/zinc/12/33/77/158123377.db2.gz UPTUBLZILRVHAD-LUXYFRNMSA-N 1 3 306.450 2.781 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000247194427 158123378 /nfs/dbraw/zinc/12/33/78/158123378.db2.gz UPTUBLZILRVHAD-LUXYFRNMSA-N 1 3 306.450 2.781 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cccc2cc[nH]c21 ZINC000355209127 158298408 /nfs/dbraw/zinc/29/84/08/158298408.db2.gz QYXDZCZIMVFRNJ-KURKYZTESA-N 1 3 313.445 2.851 20 0 DFADHO CCN(CC)C(=O)CN1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357083921 158363034 /nfs/dbraw/zinc/36/30/34/158363034.db2.gz LJVNVXABKQDSGW-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO CCN(CC)C(=O)CN1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357083921 158363037 /nfs/dbraw/zinc/36/30/37/158363037.db2.gz LJVNVXABKQDSGW-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000358376796 158372879 /nfs/dbraw/zinc/37/28/79/158372879.db2.gz SULWTAPPARYECR-IIAWOOMASA-N 1 3 314.433 2.770 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000358376796 158372882 /nfs/dbraw/zinc/37/28/82/158372882.db2.gz SULWTAPPARYECR-IIAWOOMASA-N 1 3 314.433 2.770 20 0 DFADHO CCCN(C)CC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000358589784 158391715 /nfs/dbraw/zinc/39/17/15/158391715.db2.gz KVJKOOWYMKINLE-OAHLLOKOSA-N 1 3 311.495 2.589 20 0 DFADHO CCC[N@H+](C)CC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000358589784 158391716 /nfs/dbraw/zinc/39/17/16/158391716.db2.gz KVJKOOWYMKINLE-OAHLLOKOSA-N 1 3 311.495 2.589 20 0 DFADHO CCC[N@@H+](C)CC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000358589784 158391717 /nfs/dbraw/zinc/39/17/17/158391717.db2.gz KVJKOOWYMKINLE-OAHLLOKOSA-N 1 3 311.495 2.589 20 0 DFADHO CC(C)C[C@H](CN(C)C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358595289 158392903 /nfs/dbraw/zinc/39/29/03/158392903.db2.gz LVDQVJMCAYIORK-MRXNPFEDSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1ccc(-n2cncn2)cc1 ZINC000165334742 287034799 /nfs/dbraw/zinc/03/47/99/287034799.db2.gz AAMNFSJJSVUFTK-JKSUJKDBSA-N 1 3 313.449 2.650 20 0 DFADHO CO[C@@H]1CC[N@H+](C[C@@H](C)CN2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441373721 297181505 /nfs/dbraw/zinc/18/15/05/297181505.db2.gz CJOVXANROZFGMP-KFGODFMUSA-N 1 3 312.498 2.621 20 0 DFADHO CCN(CC)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000131462148 196170841 /nfs/dbraw/zinc/17/08/41/196170841.db2.gz SZDBTQHVQTZINZ-PKOBYXMFSA-N 1 3 318.509 2.614 20 0 DFADHO [NH3+]Cc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000131755014 196196804 /nfs/dbraw/zinc/19/68/04/196196804.db2.gz OWQVELHHECYBLP-UHFFFAOYSA-N 1 3 309.413 2.993 20 0 DFADHO CCN(CC)[C@@H](C[NH2+][C@@H]1CCN(C)C[C@@H]1C)c1ccccc1 ZINC000134021146 196354092 /nfs/dbraw/zinc/35/40/92/196354092.db2.gz ZSASUATUWNNQSX-UHOSZYNNSA-N 1 3 303.494 2.999 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000134138581 196365203 /nfs/dbraw/zinc/36/52/03/196365203.db2.gz QMLLMNWKHNCOEB-OAGGEKHMSA-N 1 3 307.507 2.957 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000134138581 196365205 /nfs/dbraw/zinc/36/52/05/196365205.db2.gz QMLLMNWKHNCOEB-OAGGEKHMSA-N 1 3 307.507 2.957 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)CCN1C ZINC000134138581 196365206 /nfs/dbraw/zinc/36/52/06/196365206.db2.gz QMLLMNWKHNCOEB-OAGGEKHMSA-N 1 3 307.507 2.957 20 0 DFADHO c1nn2c(c1CN1CCC(CCC[NH+]3CCCC3)CC1)CCC2 ZINC000667680289 543658746 /nfs/dbraw/zinc/65/87/46/543658746.db2.gz CFQSJHQDYRHGGS-UHFFFAOYSA-N 1 3 316.493 2.917 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)Nc1cccc(CN)c1 ZINC000667729352 543668354 /nfs/dbraw/zinc/66/83/54/543668354.db2.gz DEBOICKDZHRZFL-UHFFFAOYSA-N 1 3 306.454 2.779 20 0 DFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cccc(CN)c1 ZINC000667731603 543668370 /nfs/dbraw/zinc/66/83/70/543668370.db2.gz YDGYTXMDERZRHF-RBSFLKMASA-N 1 3 318.465 2.633 20 0 DFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc(CN)c2)C1 ZINC000667731026 543668466 /nfs/dbraw/zinc/66/84/66/543668466.db2.gz JUHWWVWRGRKSSZ-CQSZACIVSA-N 1 3 318.465 2.777 20 0 DFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(CN)c2)C1 ZINC000667731026 543668469 /nfs/dbraw/zinc/66/84/69/543668469.db2.gz JUHWWVWRGRKSSZ-CQSZACIVSA-N 1 3 318.465 2.777 20 0 DFADHO CC[NH+](CC)CC1CCN(C(=O)Nc2cccc(CN)c2)CC1 ZINC000667731281 543668546 /nfs/dbraw/zinc/66/85/46/543668546.db2.gz PJPDNPDMOMWOCJ-UHFFFAOYSA-N 1 3 318.465 2.731 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC2([C@H](C)O)CC2)CC1 ZINC000668700889 543848254 /nfs/dbraw/zinc/84/82/54/543848254.db2.gz NDAIKVZOUIUAPL-CVEARBPZSA-N 1 3 302.462 2.585 20 0 DFADHO C[N@@H+]1CC[C@H](NCCN2CCCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000671743970 544105504 /nfs/dbraw/zinc/10/55/04/544105504.db2.gz KAVARJIRPOMHFU-BJLQDIEVSA-N 1 3 313.489 2.902 20 0 DFADHO C[N@H+]1CC[C@H](NCCN2CCCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000671743970 544105507 /nfs/dbraw/zinc/10/55/07/544105507.db2.gz KAVARJIRPOMHFU-BJLQDIEVSA-N 1 3 313.489 2.902 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](CO)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000672619128 544143748 /nfs/dbraw/zinc/14/37/48/544143748.db2.gz JEJNDFSKGJAWDO-LXZKKBNFSA-N 1 3 310.869 2.736 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](CO)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000672619128 544143749 /nfs/dbraw/zinc/14/37/49/544143749.db2.gz JEJNDFSKGJAWDO-LXZKKBNFSA-N 1 3 310.869 2.736 20 0 DFADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672619019 544143859 /nfs/dbraw/zinc/14/38/59/544143859.db2.gz HYJFQXGLFMEZMG-BHYGNILZSA-N 1 3 308.853 2.632 20 0 DFADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672619019 544143860 /nfs/dbraw/zinc/14/38/60/544143860.db2.gz HYJFQXGLFMEZMG-BHYGNILZSA-N 1 3 308.853 2.632 20 0 DFADHO CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000672987679 544163672 /nfs/dbraw/zinc/16/36/72/544163672.db2.gz GZUIGWWYIRJQPV-KURKYZTESA-N 1 3 321.509 2.726 20 0 DFADHO CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000672987679 544163673 /nfs/dbraw/zinc/16/36/73/544163673.db2.gz GZUIGWWYIRJQPV-KURKYZTESA-N 1 3 321.509 2.726 20 0 DFADHO CC[C@@H](CN1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674094529 544220135 /nfs/dbraw/zinc/22/01/35/544220135.db2.gz OXMCEDLOPLXDJU-SJORKVTESA-N 1 3 321.509 2.632 20 0 DFADHO CC[C@@H](CN1CCCC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674094529 544220137 /nfs/dbraw/zinc/22/01/37/544220137.db2.gz OXMCEDLOPLXDJU-SJORKVTESA-N 1 3 321.509 2.632 20 0 DFADHO CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000674824588 544264211 /nfs/dbraw/zinc/26/42/11/544264211.db2.gz AJSWOOQQHZPZGY-CRAIPNDOSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc2c(c1)OCCO2 ZINC000674881180 544272862 /nfs/dbraw/zinc/27/28/62/544272862.db2.gz YPSUUOJRIXKQNF-GDBMZVCRSA-N 1 3 304.434 2.983 20 0 DFADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000675869803 544340796 /nfs/dbraw/zinc/34/07/96/544340796.db2.gz AVFJSEVTWAPKJA-JXFKEZNVSA-N 1 3 313.489 2.740 20 0 DFADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)cc1 ZINC000442873027 297208870 /nfs/dbraw/zinc/20/88/70/297208870.db2.gz KLLAJLSQHWOBTI-QGZVFWFLSA-N 1 3 307.457 2.892 20 0 DFADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCO2 ZINC000677238246 544457362 /nfs/dbraw/zinc/45/73/62/544457362.db2.gz ZTGIMOSBJNEWRT-CVEARBPZSA-N 1 3 316.445 2.909 20 0 DFADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCO2 ZINC000677238246 544457365 /nfs/dbraw/zinc/45/73/65/544457365.db2.gz ZTGIMOSBJNEWRT-CVEARBPZSA-N 1 3 316.445 2.909 20 0 DFADHO CC[C@@H](CN1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000678258765 544635006 /nfs/dbraw/zinc/63/50/06/544635006.db2.gz MQAFYBPPYBCRSO-ICSRJNTNSA-N 1 3 315.505 2.892 20 0 DFADHO CC[C@@H](CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000678258765 544635009 /nfs/dbraw/zinc/63/50/09/544635009.db2.gz MQAFYBPPYBCRSO-ICSRJNTNSA-N 1 3 315.505 2.892 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+](C)Cc1ccccc1-n1cncn1 ZINC000678279191 544643201 /nfs/dbraw/zinc/64/32/01/544643201.db2.gz KZZOTQVCZGCCRO-KRWDZBQOSA-N 1 3 313.449 2.574 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+](C)Cc1ccccc1-n1cncn1 ZINC000678279191 544643202 /nfs/dbraw/zinc/64/32/02/544643202.db2.gz KZZOTQVCZGCCRO-KRWDZBQOSA-N 1 3 313.449 2.574 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000678766119 544716798 /nfs/dbraw/zinc/71/67/98/544716798.db2.gz MBSSGEXYHYQVOR-YLJYHZDGSA-N 1 3 315.505 2.927 20 0 DFADHO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000679075295 544780279 /nfs/dbraw/zinc/78/02/79/544780279.db2.gz IIGAJHWFYFHXSX-FRQCXROJSA-N 1 3 319.493 2.618 20 0 DFADHO Cc1n[nH]cc1[C@H](C)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000679340283 544837753 /nfs/dbraw/zinc/83/77/53/544837753.db2.gz QNSHSRQTMVLTSN-AWEZNQCLSA-N 1 3 316.449 2.552 20 0 DFADHO CN(C)CCOC1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000679819984 544912952 /nfs/dbraw/zinc/91/29/52/544912952.db2.gz OENHHHWARBYPEQ-KRWDZBQOSA-N 1 3 316.489 2.834 20 0 DFADHO CO[C@@H]1CCC[N@@H+](C/C=C\CN2CCC[C@H](OC)CC2)CC1 ZINC000679953311 544933243 /nfs/dbraw/zinc/93/32/43/544933243.db2.gz ICLZLBCFOLQHQY-FEFURNDJSA-N 1 3 310.482 2.544 20 0 DFADHO CO[C@@H]1CCC[N@H+](C/C=C\CN2CCC[C@H](OC)CC2)CC1 ZINC000679953311 544933246 /nfs/dbraw/zinc/93/32/46/544933246.db2.gz ICLZLBCFOLQHQY-FEFURNDJSA-N 1 3 310.482 2.544 20 0 DFADHO CO[C@@H]1CCCN(C/C=C\C[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953311 544933251 /nfs/dbraw/zinc/93/32/51/544933251.db2.gz ICLZLBCFOLQHQY-FEFURNDJSA-N 1 3 310.482 2.544 20 0 DFADHO CO[C@@H]1CCCN(C/C=C\C[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953311 544933254 /nfs/dbraw/zinc/93/32/54/544933254.db2.gz ICLZLBCFOLQHQY-FEFURNDJSA-N 1 3 310.482 2.544 20 0 DFADHO CO[C@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000680004033 544941909 /nfs/dbraw/zinc/94/19/09/544941909.db2.gz VSILNMXDBNOGJV-KRWDZBQOSA-N 1 3 306.450 2.628 20 0 DFADHO CO[C@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000680004033 544941915 /nfs/dbraw/zinc/94/19/15/544941915.db2.gz VSILNMXDBNOGJV-KRWDZBQOSA-N 1 3 306.450 2.628 20 0 DFADHO CC(C)[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C(C)(C)O ZINC000682950581 545947392 /nfs/dbraw/zinc/94/73/92/545947392.db2.gz ADEOQMSRFVOJQP-KRWDZBQOSA-N 1 3 308.466 2.512 20 0 DFADHO C[C@H]([NH2+]CCCc1cnn(C)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000680401423 545004841 /nfs/dbraw/zinc/00/48/41/545004841.db2.gz ZCVLUJUAJVNOTC-RDJZCZTQSA-N 1 3 304.482 2.595 20 0 DFADHO CCN1CCN(CCC[NH2+]C/C(C)=C/c2ccccc2)CC1 ZINC000102422153 425921349 /nfs/dbraw/zinc/92/13/49/425921349.db2.gz VXSSNURMSZNAGI-FBMGVBCBSA-N 1 3 301.478 2.707 20 0 DFADHO CCc1cc(NC[C@H](C)N2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000124499381 425922815 /nfs/dbraw/zinc/92/28/15/425922815.db2.gz UWQWXHSWRZPBPH-HNNXBMFYSA-N 1 3 312.461 2.845 20 0 DFADHO CC(C)N(C)CC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000155757212 425926538 /nfs/dbraw/zinc/92/65/38/425926538.db2.gz URAXQBWULKRRPB-UHFFFAOYSA-N 1 3 321.484 2.762 20 0 DFADHO CCCn1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000192919828 268054248 /nfs/dbraw/zinc/05/42/48/268054248.db2.gz GSBYGCYMOHDGRI-GOSISDBHSA-N 1 3 312.461 2.905 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193003429 268057218 /nfs/dbraw/zinc/05/72/18/268057218.db2.gz JFFIRKOUCALHMC-UHFFFAOYSA-N 1 3 315.914 2.909 20 0 DFADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000193144978 268060616 /nfs/dbraw/zinc/06/06/16/268060616.db2.gz IVGMUVXZTGDSNF-GOEBONIOSA-N 1 3 305.466 2.936 20 0 DFADHO C[C@H](CC(N)=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000267258830 268180283 /nfs/dbraw/zinc/18/02/83/268180283.db2.gz PUBRSUCDUCTRME-OWCLPIDISA-N 1 3 317.477 2.518 20 0 DFADHO C[C@H](CC(N)=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000267258830 268180284 /nfs/dbraw/zinc/18/02/84/268180284.db2.gz PUBRSUCDUCTRME-OWCLPIDISA-N 1 3 317.477 2.518 20 0 DFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000271449293 268249266 /nfs/dbraw/zinc/24/92/66/268249266.db2.gz DHALJMZNHCPHHV-RZAIGCCYSA-N 1 3 324.415 2.993 20 0 DFADHO C[C@@H](CCNC[C@@H](O)CC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000307935314 268334650 /nfs/dbraw/zinc/33/46/50/268334650.db2.gz DRVKMASVQNXIFG-ZFWWWQNUSA-N 1 3 318.383 2.800 20 0 DFADHO C[C@@H](CCNC[C@@H](O)CC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000307935314 268334651 /nfs/dbraw/zinc/33/46/51/268334651.db2.gz DRVKMASVQNXIFG-ZFWWWQNUSA-N 1 3 318.383 2.800 20 0 DFADHO CCc1noc(C2CCC([NH2+][C@@H]3CCCC[C@@H]3CN)CC2)n1 ZINC000333145257 268377817 /nfs/dbraw/zinc/37/78/17/268377817.db2.gz LRJLYJHDIDQQFX-HXSCFSKGSA-N 1 3 306.454 2.765 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000333340065 268392955 /nfs/dbraw/zinc/39/29/55/268392955.db2.gz XXJAUKJHMQNUFE-KCYZZUKISA-N 1 3 309.498 2.580 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCN[C@@H]2CCCc3c2cnn3C)C1 ZINC000157955867 425940601 /nfs/dbraw/zinc/94/06/01/425940601.db2.gz SHULJKMBWNCRDH-NVXWUHKLSA-N 1 3 304.482 2.899 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCN[C@@H]2CCCc3c2cnn3C)C1 ZINC000157955867 425940605 /nfs/dbraw/zinc/94/06/05/425940605.db2.gz SHULJKMBWNCRDH-NVXWUHKLSA-N 1 3 304.482 2.899 20 0 DFADHO Cc1nc(CCN2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC000124842159 425941326 /nfs/dbraw/zinc/94/13/26/425941326.db2.gz IUYULMPVSJWMRE-UHFFFAOYSA-N 1 3 323.506 2.571 20 0 DFADHO CC[C@H](C)[C@H](C)[N@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CC1 ZINC000104966858 425966520 /nfs/dbraw/zinc/96/65/20/425966520.db2.gz VGWBHPJHWUPICO-GJZGRUSLSA-N 1 3 321.509 2.628 20 0 DFADHO CC[C@H](C)[C@H](C)[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CC1 ZINC000104966858 425966524 /nfs/dbraw/zinc/96/65/24/425966524.db2.gz VGWBHPJHWUPICO-GJZGRUSLSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@@H](C(=O)N1CCC([NH2+]C2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000126778848 426036507 /nfs/dbraw/zinc/03/65/07/426036507.db2.gz UCNOTZWNIBKUGT-XHSDSOJGSA-N 1 3 321.509 2.771 20 0 DFADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000126828117 426038332 /nfs/dbraw/zinc/03/83/32/426038332.db2.gz XZRGRBGNKKMGIW-BQFCYCMXSA-N 1 3 321.534 2.890 20 0 DFADHO C(CN1CCCC1)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000162182159 426056032 /nfs/dbraw/zinc/05/60/32/426056032.db2.gz PPDJGVCVEJNTJH-SFHVURJKSA-N 1 3 310.482 2.522 20 0 DFADHO CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)N(C)C ZINC000108450527 426016759 /nfs/dbraw/zinc/01/67/59/426016759.db2.gz IVOYEJIKBPJILP-GOSISDBHSA-N 1 3 317.477 2.850 20 0 DFADHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000108790969 426022200 /nfs/dbraw/zinc/02/22/00/426022200.db2.gz HEKOVELLVTXQJN-HNNXBMFYSA-N 1 3 323.525 2.734 20 0 DFADHO CCCN1CCC([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC000127851827 426090325 /nfs/dbraw/zinc/09/03/25/426090325.db2.gz YLRRETPDDUIDIX-UHFFFAOYSA-N 1 3 316.424 2.975 20 0 DFADHO CCc1ccc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128259941 426110079 /nfs/dbraw/zinc/11/00/79/426110079.db2.gz XJMFGWWVYMMZIV-QGZVFWFLSA-N 1 3 303.494 2.927 20 0 DFADHO CC(C)[NH+]1CCC(NCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000164109415 426112127 /nfs/dbraw/zinc/11/21/27/426112127.db2.gz JEEFCYTXLIOUKC-UHFFFAOYSA-N 1 3 313.486 2.752 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000127590248 426075488 /nfs/dbraw/zinc/07/54/88/426075488.db2.gz ZWUDUWWEIZETOE-KRWDZBQOSA-N 1 3 321.484 2.937 20 0 DFADHO c1cnn(CCCCCN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075834300 426086572 /nfs/dbraw/zinc/08/65/72/426086572.db2.gz SSMZEOQTLGAENE-SFHVURJKSA-N 1 3 304.482 2.861 20 0 DFADHO c1cnn(CCCCC[N@@H+]2CC[C@@H](CN3CCCCC3)C2)c1 ZINC000075834300 426086576 /nfs/dbraw/zinc/08/65/76/426086576.db2.gz SSMZEOQTLGAENE-SFHVURJKSA-N 1 3 304.482 2.861 20 0 DFADHO c1cnn(CCCCC[N@H+]2CC[C@@H](CN3CCCCC3)C2)c1 ZINC000075834300 426086580 /nfs/dbraw/zinc/08/65/80/426086580.db2.gz SSMZEOQTLGAENE-SFHVURJKSA-N 1 3 304.482 2.861 20 0 DFADHO Cc1nccn1CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000130301596 426153919 /nfs/dbraw/zinc/15/39/19/426153919.db2.gz QYZCLNBTVIDOQK-IEBWSBKVSA-N 1 3 316.493 2.920 20 0 DFADHO Cc1nccn1CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000130301596 426153921 /nfs/dbraw/zinc/15/39/21/426153921.db2.gz QYZCLNBTVIDOQK-IEBWSBKVSA-N 1 3 316.493 2.920 20 0 DFADHO Cc1nccn1CCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000130301596 426153922 /nfs/dbraw/zinc/15/39/22/426153922.db2.gz QYZCLNBTVIDOQK-IEBWSBKVSA-N 1 3 316.493 2.920 20 0 DFADHO Cc1nccn1CCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000130301596 426153923 /nfs/dbraw/zinc/15/39/23/426153923.db2.gz QYZCLNBTVIDOQK-IEBWSBKVSA-N 1 3 316.493 2.920 20 0 DFADHO Cn1cc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000171384309 426186927 /nfs/dbraw/zinc/18/69/27/426186927.db2.gz NGHOZJCHLWLVJW-UHFFFAOYSA-N 1 3 312.461 2.764 20 0 DFADHO Cn1cc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000171384309 426186930 /nfs/dbraw/zinc/18/69/30/426186930.db2.gz NGHOZJCHLWLVJW-UHFFFAOYSA-N 1 3 312.461 2.764 20 0 DFADHO CC1CC[NH+](CCN2CC[C@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000134906711 426199006 /nfs/dbraw/zinc/19/90/06/426199006.db2.gz BFLLMVVMAHLTGP-MJGOQNOKSA-N 1 3 305.510 2.667 20 0 DFADHO CCC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(C)C ZINC000135640486 426225155 /nfs/dbraw/zinc/22/51/55/426225155.db2.gz HPSJMLSOYRYQAE-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)N1CCCCCC1 ZINC000174383190 426255303 /nfs/dbraw/zinc/25/53/03/426255303.db2.gz NLXXTLFCTMOGKY-ZWKOTPCHSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CCN1C ZINC000174514319 426259680 /nfs/dbraw/zinc/25/96/80/426259680.db2.gz MBBLXPVEYUQWOP-LPHOPBHVSA-N 1 3 301.478 2.723 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000119110512 426262363 /nfs/dbraw/zinc/26/23/63/426262363.db2.gz IZTBVOJDZCALAA-HOJAQTOUSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2c(c1)CCC2 ZINC000150961621 426268752 /nfs/dbraw/zinc/26/87/52/426268752.db2.gz XSVIMAITLUZYND-INIZCTEOSA-N 1 3 315.505 2.852 20 0 DFADHO C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)C(C)(C)C[NH+](C)C ZINC000119268669 426273403 /nfs/dbraw/zinc/27/34/03/426273403.db2.gz CVYKULADLXWTNB-AWEZNQCLSA-N 1 3 320.481 2.846 20 0 DFADHO CCc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCN(CC)CC2)o1 ZINC000121401417 426340152 /nfs/dbraw/zinc/34/01/52/426340152.db2.gz HLQAPAYXDCUCNW-CVEARBPZSA-N 1 3 307.482 2.766 20 0 DFADHO CN1CCC[C@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000121206784 426324205 /nfs/dbraw/zinc/32/42/05/426324205.db2.gz APPYQIAGPPNYQY-LJQANCHMSA-N 1 3 315.505 2.625 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000152100677 426326407 /nfs/dbraw/zinc/32/64/07/426326407.db2.gz KELYJCMRHCTKGU-APWZRJJASA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@@H+]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000152100677 426326413 /nfs/dbraw/zinc/32/64/13/426326413.db2.gz KELYJCMRHCTKGU-APWZRJJASA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@H+]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000152100677 426326415 /nfs/dbraw/zinc/32/64/15/426326415.db2.gz KELYJCMRHCTKGU-APWZRJJASA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@@H+]1CC[C@H](NCC2([C@H](O)c3ccccc3)CC2)[C@H](C)C1 ZINC000090770564 426330501 /nfs/dbraw/zinc/33/05/01/426330501.db2.gz BLRSWYDUWXNKCX-BPQIPLTHSA-N 1 3 302.462 2.820 20 0 DFADHO CC[N@H+]1CC[C@H](NCC2([C@H](O)c3ccccc3)CC2)[C@H](C)C1 ZINC000090770564 426330502 /nfs/dbraw/zinc/33/05/02/426330502.db2.gz BLRSWYDUWXNKCX-BPQIPLTHSA-N 1 3 302.462 2.820 20 0 DFADHO C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N1CCCCCC1 ZINC000175953490 426340802 /nfs/dbraw/zinc/34/08/02/426340802.db2.gz WHMSGYCRTCZOGF-QZTJIDSGSA-N 1 3 321.509 2.728 20 0 DFADHO C[C@H]([NH2+]CCCn1ccnc1)c1cccc(OCCN(C)C)c1 ZINC000151123391 426279055 /nfs/dbraw/zinc/27/90/55/426279055.db2.gz HLYBJUJZCJTPRD-INIZCTEOSA-N 1 3 316.449 2.564 20 0 DFADHO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000151190606 426282648 /nfs/dbraw/zinc/28/26/48/426282648.db2.gz XGUIPOIWQQOIEK-WBVHZDCISA-N 1 3 308.466 2.685 20 0 DFADHO C[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000175180937 426285868 /nfs/dbraw/zinc/28/58/68/426285868.db2.gz LPOJTNOMVSLQFH-ZACQAIPSSA-N 1 3 321.509 2.582 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000176291320 426367877 /nfs/dbraw/zinc/36/78/77/426367877.db2.gz NLFJCPKMBOPZTP-QGZVFWFLSA-N 1 3 318.465 2.696 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000176291320 426367879 /nfs/dbraw/zinc/36/78/79/426367879.db2.gz NLFJCPKMBOPZTP-QGZVFWFLSA-N 1 3 318.465 2.696 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000122336176 426370703 /nfs/dbraw/zinc/37/07/03/426370703.db2.gz NUQVTXYRVUUXQK-OAHLLOKOSA-N 1 3 318.490 2.835 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1OCCN(C)C)C1CCOCC1 ZINC000122408559 426374004 /nfs/dbraw/zinc/37/40/04/426374004.db2.gz SLUMRGJAZXVKQP-HNNXBMFYSA-N 1 3 306.450 2.532 20 0 DFADHO CCN1CC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000122771220 426393653 /nfs/dbraw/zinc/39/36/53/426393653.db2.gz VQVPEPVIDAPFJZ-YLJYHZDGSA-N 1 3 315.505 2.755 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(C)nc2)CC1 ZINC000153978396 426415887 /nfs/dbraw/zinc/41/58/87/426415887.db2.gz HWCLELNWAPCAKZ-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(C)nc2)CC1 ZINC000153978396 426415891 /nfs/dbraw/zinc/41/58/91/426415891.db2.gz HWCLELNWAPCAKZ-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO CCCCCNC(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123203484 426419756 /nfs/dbraw/zinc/41/97/56/426419756.db2.gz PIRPLEUXKBJSCV-INIZCTEOSA-N 1 3 311.514 2.735 20 0 DFADHO Cc1ccc([C@@H](C[NH2+][C@@H]2CCN(C)[C@H](C)C2)N2CCCC2)o1 ZINC000154015826 426420401 /nfs/dbraw/zinc/42/04/01/426420401.db2.gz PXRHZTPUEKLCHQ-DJIMGWMZSA-N 1 3 305.466 2.797 20 0 DFADHO CC(C)[C@H](CCO)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000123513537 426438519 /nfs/dbraw/zinc/43/85/19/426438519.db2.gz JWLWOLTZGCPRIP-QAPCUYQASA-N 1 3 308.466 2.685 20 0 DFADHO COCCCN(CCc1ccc(OC)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000340706116 269001900 /nfs/dbraw/zinc/00/19/00/269001900.db2.gz FYLYYVINWKIPAZ-LJQANCHMSA-N 1 3 320.477 2.576 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000177216896 426454963 /nfs/dbraw/zinc/45/49/63/426454963.db2.gz SHXHNFMVYGMDPI-HOTGVXAUSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000177228796 426457162 /nfs/dbraw/zinc/45/71/62/426457162.db2.gz ABRMGLHUKIZDPG-GOSISDBHSA-N 1 3 315.505 2.973 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280147861 426507753 /nfs/dbraw/zinc/50/77/53/426507753.db2.gz ADNGTTHMFGCOAM-LJQANCHMSA-N 1 3 316.493 2.540 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000186405416 426521883 /nfs/dbraw/zinc/52/18/83/426521883.db2.gz BDANXNIRWTXYRR-LJQANCHMSA-N 1 3 316.493 2.549 20 0 DFADHO OCc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000272498603 426540419 /nfs/dbraw/zinc/54/04/19/426540419.db2.gz NQXOYQPRFCTPEZ-MJGOQNOKSA-N 1 3 300.446 2.628 20 0 DFADHO OCc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000272498603 426540421 /nfs/dbraw/zinc/54/04/21/426540421.db2.gz NQXOYQPRFCTPEZ-MJGOQNOKSA-N 1 3 300.446 2.628 20 0 DFADHO C/C=C/C[C@H](CO)[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000186510247 426540485 /nfs/dbraw/zinc/54/04/85/426540485.db2.gz YKPORBWMBCVVTD-VJKLRJNGSA-N 1 3 314.473 2.814 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CCOCC3CC3)CC2)C[C@@H](C)O1 ZINC000177484598 426489283 /nfs/dbraw/zinc/48/92/83/426489283.db2.gz WJPKVXVRIMSXML-IAGOWNOFSA-N 1 3 324.509 2.624 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCn2cccn2)CC1 ZINC000178388047 426620627 /nfs/dbraw/zinc/62/06/27/426620627.db2.gz YWMKYRJTMIOSHW-QGZVFWFLSA-N 1 3 304.482 2.860 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCn2cccn2)CC1 ZINC000178388047 426620631 /nfs/dbraw/zinc/62/06/31/426620631.db2.gz YWMKYRJTMIOSHW-QGZVFWFLSA-N 1 3 304.482 2.860 20 0 DFADHO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000178116561 426574483 /nfs/dbraw/zinc/57/44/83/426574483.db2.gz OYQZLRNZCIGZMT-MAUKXSAKSA-N 1 3 308.466 2.685 20 0 DFADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000187168186 426635293 /nfs/dbraw/zinc/63/52/93/426635293.db2.gz ILBLSQMJDZXEKT-HXUWFJFHSA-N 1 3 317.521 2.871 20 0 DFADHO C[C@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C1CCSCC1 ZINC000187409070 426657603 /nfs/dbraw/zinc/65/76/03/426657603.db2.gz NKJHDSMXPCPIAZ-AWEZNQCLSA-N 1 3 323.506 2.643 20 0 DFADHO O[C@H](C[NH2+][C@H]1CCCc2c(Cl)cccc21)CN1CCCC1 ZINC000273400835 426658867 /nfs/dbraw/zinc/65/88/67/426658867.db2.gz NAALBVKCJQWNKJ-DYVFJYSZSA-N 1 3 308.853 2.764 20 0 DFADHO CCC[NH+]1CCC(NC[C@@]2(CO)C[C@H]2c2ccccc2)CC1 ZINC000289855584 426675142 /nfs/dbraw/zinc/67/51/42/426675142.db2.gz QSXMSJDXBFRCAI-RBUKOAKNSA-N 1 3 302.462 2.617 20 0 DFADHO COC(=O)CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000178716297 426681316 /nfs/dbraw/zinc/68/13/16/426681316.db2.gz YPTDHVBSZOZKGH-DOTOQJQBSA-N 1 3 304.434 2.534 20 0 DFADHO COC(=O)CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000178716297 426681321 /nfs/dbraw/zinc/68/13/21/426681321.db2.gz YPTDHVBSZOZKGH-DOTOQJQBSA-N 1 3 304.434 2.534 20 0 DFADHO Cc1ccc(C)c([C@@H]2CCCN2C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289330406 426629749 /nfs/dbraw/zinc/62/97/49/426629749.db2.gz HQXNOTFPUQQRNF-MJGOQNOKSA-N 1 3 302.462 2.895 20 0 DFADHO Cc1ccc(C)c([C@@H]2CCCN2C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000289330406 426629752 /nfs/dbraw/zinc/62/97/52/426629752.db2.gz HQXNOTFPUQQRNF-MJGOQNOKSA-N 1 3 302.462 2.895 20 0 DFADHO C[NH2+]CCCC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000237176587 426690427 /nfs/dbraw/zinc/69/04/27/426690427.db2.gz DNUQCFULNLFDOT-SFHVURJKSA-N 1 3 317.477 2.575 20 0 DFADHO CCN1CC[C@H]([N@H+](C)Cc2cc(OC)c(O)c(OC)c2)[C@@H](C)C1 ZINC000290159782 426706024 /nfs/dbraw/zinc/70/60/24/426706024.db2.gz XIAJYXIPHPHKTP-ZFWWWQNUSA-N 1 3 322.449 2.572 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(OC)c(O)c(OC)c2)[C@@H](C)C1 ZINC000290159782 426706027 /nfs/dbraw/zinc/70/60/27/426706027.db2.gz XIAJYXIPHPHKTP-ZFWWWQNUSA-N 1 3 322.449 2.572 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273621794 426697395 /nfs/dbraw/zinc/69/73/95/426697395.db2.gz ZHGGVVPHHHBUCO-MRXNPFEDSA-N 1 3 308.853 2.764 20 0 DFADHO CC(=O)Nc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000290512843 426781459 /nfs/dbraw/zinc/78/14/59/426781459.db2.gz PREYIKVNMFDFJY-WMZOPIPTSA-N 1 3 301.434 2.561 20 0 DFADHO CC(=O)Nc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000290512843 426781463 /nfs/dbraw/zinc/78/14/63/426781463.db2.gz PREYIKVNMFDFJY-WMZOPIPTSA-N 1 3 301.434 2.561 20 0 DFADHO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000290512843 426781464 /nfs/dbraw/zinc/78/14/64/426781464.db2.gz PREYIKVNMFDFJY-WMZOPIPTSA-N 1 3 301.434 2.561 20 0 DFADHO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000290512843 426781468 /nfs/dbraw/zinc/78/14/68/426781468.db2.gz PREYIKVNMFDFJY-WMZOPIPTSA-N 1 3 301.434 2.561 20 0 DFADHO CC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)OC ZINC000290245496 426724046 /nfs/dbraw/zinc/72/40/46/426724046.db2.gz SWSUYVCDZLMQCQ-AKHDSKFASA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)OC ZINC000290245496 426724050 /nfs/dbraw/zinc/72/40/50/426724050.db2.gz SWSUYVCDZLMQCQ-AKHDSKFASA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)OC ZINC000290245496 426724056 /nfs/dbraw/zinc/72/40/56/426724056.db2.gz SWSUYVCDZLMQCQ-AKHDSKFASA-N 1 3 302.462 2.912 20 0 DFADHO CCC[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)C ZINC000245705803 426765637 /nfs/dbraw/zinc/76/56/37/426765637.db2.gz RVPPUXIXCQCLBP-BRWVUGGUSA-N 1 3 311.514 2.591 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)c1 ZINC000290581127 426797492 /nfs/dbraw/zinc/79/74/92/426797492.db2.gz NUAUKQHNAIKVGM-IAGOWNOFSA-N 1 3 303.450 2.629 20 0 DFADHO CCC[C@H](C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)N(C)C ZINC000274596555 426798766 /nfs/dbraw/zinc/79/87/66/426798766.db2.gz LNQNKAZEOHOXMK-DJIMGWMZSA-N 1 3 305.466 2.524 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000246222217 426811147 /nfs/dbraw/zinc/81/11/47/426811147.db2.gz BMLSHGRBQOFJJN-JFIYKMOQSA-N 1 3 317.477 2.561 20 0 DFADHO CN1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000180115188 426834968 /nfs/dbraw/zinc/83/49/68/426834968.db2.gz QGKRXWPERKMZBT-RAFMOHDBSA-N 1 3 313.489 2.866 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1(C)C ZINC000282141657 426837915 /nfs/dbraw/zinc/83/79/15/426837915.db2.gz CCCMWIWUFJMWMQ-RBUKOAKNSA-N 1 3 315.505 2.938 20 0 DFADHO Cc1cccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1C ZINC000282156192 426842165 /nfs/dbraw/zinc/84/21/65/426842165.db2.gz DCAUSIAURRYDGR-QGZVFWFLSA-N 1 3 303.494 2.980 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000246531393 426843208 /nfs/dbraw/zinc/84/32/08/426843208.db2.gz RVRVPGHSBWWTGY-SQWLQELKSA-N 1 3 305.466 2.605 20 0 DFADHO CC[N@H+](C)Cc1cccc(CNCc2c[nH]c3nccnc23)c1 ZINC000290834960 426850490 /nfs/dbraw/zinc/85/04/90/426850490.db2.gz IHRCJFAMHJXLOI-UHFFFAOYSA-N 1 3 309.417 2.699 20 0 DFADHO CC[N@@H+](C)Cc1cccc(CNCc2c[nH]c3nccnc23)c1 ZINC000290834960 426850492 /nfs/dbraw/zinc/85/04/92/426850492.db2.gz IHRCJFAMHJXLOI-UHFFFAOYSA-N 1 3 309.417 2.699 20 0 DFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)cn1 ZINC000274861344 426853906 /nfs/dbraw/zinc/85/39/06/426853906.db2.gz CYMAKXALPJSOIU-HIFRSBDPSA-N 1 3 311.857 2.623 20 0 DFADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cn1 ZINC000274861344 426853911 /nfs/dbraw/zinc/85/39/11/426853911.db2.gz CYMAKXALPJSOIU-HIFRSBDPSA-N 1 3 311.857 2.623 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+](C)CCOCC(F)(F)C(F)F ZINC000189433484 426856441 /nfs/dbraw/zinc/85/64/41/426856441.db2.gz RXHNYUXWZLOLHY-LBPRGKRZSA-N 1 3 314.367 2.710 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCOCC(F)(F)C(F)F ZINC000189433484 426856446 /nfs/dbraw/zinc/85/64/46/426856446.db2.gz RXHNYUXWZLOLHY-LBPRGKRZSA-N 1 3 314.367 2.710 20 0 DFADHO CC(C)([NH3+])CCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309882468 426917940 /nfs/dbraw/zinc/91/79/40/426917940.db2.gz JZSFOVJEPKTXJU-KRWDZBQOSA-N 1 3 317.477 2.532 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CCCc3ccccc32)CC1(C)C ZINC000282255615 426864661 /nfs/dbraw/zinc/86/46/61/426864661.db2.gz JSEJTQWHMDNLRN-GOSISDBHSA-N 1 3 301.478 2.680 20 0 DFADHO Cc1noc(C)c1C[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000291479135 426890551 /nfs/dbraw/zinc/89/05/51/426890551.db2.gz QOGDQQIGUSRCPM-ZDUSSCGKSA-N 1 3 314.433 2.876 20 0 DFADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)N(C)C ZINC000247148436 426908519 /nfs/dbraw/zinc/90/85/19/426908519.db2.gz WTTBMLOZKOXUAE-SQWLQELKSA-N 1 3 323.506 2.587 20 0 DFADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)N(C)C ZINC000247148436 426908521 /nfs/dbraw/zinc/90/85/21/426908521.db2.gz WTTBMLOZKOXUAE-SQWLQELKSA-N 1 3 323.506 2.587 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H](C)O1 ZINC000181616211 426968062 /nfs/dbraw/zinc/96/80/62/426968062.db2.gz OBAZCYPDKLYCOL-RZFLPCETSA-N 1 3 324.509 2.669 20 0 DFADHO Cc1cc(C)c(C[NH2+]CC2(O)CCN(C(C)C)CC2)c(C)c1 ZINC000268436631 427016945 /nfs/dbraw/zinc/01/69/45/427016945.db2.gz QIUQWRAXTFDFKW-UHFFFAOYSA-N 1 3 304.478 2.937 20 0 DFADHO Cc1cncc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000248713395 427035580 /nfs/dbraw/zinc/03/55/80/427035580.db2.gz JYERLNJRTNSYEV-ULQDDVLXSA-N 1 3 305.466 2.930 20 0 DFADHO C[C@H](C1CC1)N(C[C@@H](O)C[N@H+]([C@@H](C)C1CC1)C1CC1)C1CC1 ZINC000248734865 427036649 /nfs/dbraw/zinc/03/66/49/427036649.db2.gz MRDGBIXUBYADJC-HBCWATKFSA-N 1 3 306.494 2.873 20 0 DFADHO C[C@H](C1CC1)N(C[C@@H](O)C[N@@H+]([C@@H](C)C1CC1)C1CC1)C1CC1 ZINC000248734865 427036653 /nfs/dbraw/zinc/03/66/53/427036653.db2.gz MRDGBIXUBYADJC-HBCWATKFSA-N 1 3 306.494 2.873 20 0 DFADHO C[C@H](C1CC1)[N@@H+](C[C@@H](O)CN([C@@H](C)C1CC1)C1CC1)C1CC1 ZINC000248734865 427036659 /nfs/dbraw/zinc/03/66/59/427036659.db2.gz MRDGBIXUBYADJC-HBCWATKFSA-N 1 3 306.494 2.873 20 0 DFADHO C[C@H](C1CC1)[N@H+](C[C@@H](O)CN([C@@H](C)C1CC1)C1CC1)C1CC1 ZINC000248734865 427036664 /nfs/dbraw/zinc/03/66/64/427036664.db2.gz MRDGBIXUBYADJC-HBCWATKFSA-N 1 3 306.494 2.873 20 0 DFADHO CCN1CCN(c2cccc(NC3CC[NH+](CC)CC3)c2)CC1 ZINC000276432181 427065571 /nfs/dbraw/zinc/06/55/71/427065571.db2.gz PZCDUEXJUHSEHC-UHFFFAOYSA-N 1 3 316.493 2.725 20 0 DFADHO CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292037588 427067217 /nfs/dbraw/zinc/06/72/17/427067217.db2.gz AAUPOMIURLCJHF-LJQANCHMSA-N 1 3 316.445 2.779 20 0 DFADHO CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292037588 427067223 /nfs/dbraw/zinc/06/72/23/427067223.db2.gz AAUPOMIURLCJHF-LJQANCHMSA-N 1 3 316.445 2.779 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN2CCCCC2)C12CCOCC2 ZINC000249001125 427072663 /nfs/dbraw/zinc/07/26/63/427072663.db2.gz MZYWNSMZTYJAON-RCCFBDPRSA-N 1 3 324.509 2.672 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCC[C@H]2C)C12CCOCC2 ZINC000249035766 427078423 /nfs/dbraw/zinc/07/84/23/427078423.db2.gz TZUGRGSOKQNDJA-KZNAEPCWSA-N 1 3 324.509 2.815 20 0 DFADHO CCO[C@@H]1C[C@@H](NCCC[N@@H+]2CCCC[C@H]2C)C12CCOCC2 ZINC000249035766 427078428 /nfs/dbraw/zinc/07/84/28/427078428.db2.gz TZUGRGSOKQNDJA-KZNAEPCWSA-N 1 3 324.509 2.815 20 0 DFADHO CCO[C@@H]1C[C@@H](NCCC[N@H+]2CCCC[C@H]2C)C12CCOCC2 ZINC000249035766 427078432 /nfs/dbraw/zinc/07/84/32/427078432.db2.gz TZUGRGSOKQNDJA-KZNAEPCWSA-N 1 3 324.509 2.815 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CCO1 ZINC000283825792 427083934 /nfs/dbraw/zinc/08/39/34/427083934.db2.gz DNBISZAPVQIZKK-WBVHZDCISA-N 1 3 318.461 2.817 20 0 DFADHO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000249063239 427083986 /nfs/dbraw/zinc/08/39/86/427083986.db2.gz PZGQHVQFRBDEEC-HYVNUMGLSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N(C)C)CCN1Cc1ccccc1 ZINC000268701096 427093822 /nfs/dbraw/zinc/09/38/22/427093822.db2.gz FPSVIKRINAQEDY-AEFFLSMTSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc2c(c1)CC(=O)N2C ZINC000268701290 427094100 /nfs/dbraw/zinc/09/41/00/427094100.db2.gz ABJCIDSWDZBVFC-HNNXBMFYSA-N 1 3 315.461 2.732 20 0 DFADHO O[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC[C@H](C(F)(F)F)C1 ZINC000249209227 427097314 /nfs/dbraw/zinc/09/73/14/427097314.db2.gz XFEMXRRZSYQHTL-LJISPDSOSA-N 1 3 320.399 2.686 20 0 DFADHO O[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC[C@H](C(F)(F)F)C1 ZINC000249209227 427097318 /nfs/dbraw/zinc/09/73/18/427097318.db2.gz XFEMXRRZSYQHTL-LJISPDSOSA-N 1 3 320.399 2.686 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000249383470 427110131 /nfs/dbraw/zinc/11/01/31/427110131.db2.gz VTSODIWNQJSNBT-CABCVRRESA-N 1 3 304.434 2.840 20 0 DFADHO C[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000338053800 427117818 /nfs/dbraw/zinc/11/78/18/427117818.db2.gz IXRFJZWXQUEKKT-ZACQAIPSSA-N 1 3 323.525 2.971 20 0 DFADHO C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000338053800 427117825 /nfs/dbraw/zinc/11/78/25/427117825.db2.gz IXRFJZWXQUEKKT-ZACQAIPSSA-N 1 3 323.525 2.971 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000292034489 427063585 /nfs/dbraw/zinc/06/35/85/427063585.db2.gz HFXJWOYVUYVPEB-RDJZCZTQSA-N 1 3 317.477 2.764 20 0 DFADHO CC1CC[NH+](C[C@@H]2CCCN(CCCn3ccnc3)C2)CC1 ZINC000182742641 427135063 /nfs/dbraw/zinc/13/50/63/427135063.db2.gz NJZHUYLEZOYDGO-GOSISDBHSA-N 1 3 304.482 2.717 20 0 DFADHO C[C@H](CNC(=O)c1ccc(CN(C)C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249740774 427142607 /nfs/dbraw/zinc/14/26/07/427142607.db2.gz IUXNNIPJJBQFKH-HZPDHXFCSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@H](CNC(=O)c1ccc(CN(C)C)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000249740774 427142613 /nfs/dbraw/zinc/14/26/13/427142613.db2.gz IUXNNIPJJBQFKH-HZPDHXFCSA-N 1 3 317.477 2.598 20 0 DFADHO CN(C)Cc1cccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000164418362 271092650 /nfs/dbraw/zinc/09/26/50/271092650.db2.gz LTPIJYCCNBDIRO-MSOLQXFVSA-N 1 3 317.477 2.662 20 0 DFADHO CN(C)Cc1cccc(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000164418587 271093666 /nfs/dbraw/zinc/09/36/66/271093666.db2.gz LTPIJYCCNBDIRO-ZWKOTPCHSA-N 1 3 317.477 2.662 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166413499 271096044 /nfs/dbraw/zinc/09/60/44/271096044.db2.gz DFNIGLRKBYKJMV-SFHVURJKSA-N 1 3 317.477 2.662 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282681544 271333431 /nfs/dbraw/zinc/33/34/31/271333431.db2.gz AAKOTQJMVYSWCL-HOJAQTOUSA-N 1 3 315.505 2.796 20 0 DFADHO C[C@H]1C[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CCN1 ZINC000333344099 271371807 /nfs/dbraw/zinc/37/18/07/271371807.db2.gz YUTKJOFFOQOZEU-MLBPIDQTSA-N 1 3 313.445 2.549 20 0 DFADHO CN1CC[C@@H](NCCC[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000284318885 427179971 /nfs/dbraw/zinc/17/99/71/427179971.db2.gz POQDRDGQBQGDQR-MOPGFXCFSA-N 1 3 301.478 2.897 20 0 DFADHO Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277399549 427190767 /nfs/dbraw/zinc/19/07/67/427190767.db2.gz ZKLLKXSYKBEBCJ-MRXNPFEDSA-N 1 3 303.450 2.740 20 0 DFADHO Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277399549 427190773 /nfs/dbraw/zinc/19/07/73/427190773.db2.gz ZKLLKXSYKBEBCJ-MRXNPFEDSA-N 1 3 303.450 2.740 20 0 DFADHO Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000277399547 427191512 /nfs/dbraw/zinc/19/15/12/427191512.db2.gz ZKLLKXSYKBEBCJ-INIZCTEOSA-N 1 3 303.450 2.740 20 0 DFADHO Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000277399547 427191517 /nfs/dbraw/zinc/19/15/17/427191517.db2.gz ZKLLKXSYKBEBCJ-INIZCTEOSA-N 1 3 303.450 2.740 20 0 DFADHO COCCC[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183125190 427204895 /nfs/dbraw/zinc/20/48/95/427204895.db2.gz MGILUHUJROSGMX-FHWLQOOXSA-N 1 3 302.462 2.913 20 0 DFADHO c1cnn(CC[NH2+][C@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000183149775 427210127 /nfs/dbraw/zinc/21/01/27/427210127.db2.gz HCZLPAZYDSNBDM-AQNXPRMDSA-N 1 3 324.472 2.773 20 0 DFADHO c1cnn(CCN[C@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000183149775 427210131 /nfs/dbraw/zinc/21/01/31/427210131.db2.gz HCZLPAZYDSNBDM-AQNXPRMDSA-N 1 3 324.472 2.773 20 0 DFADHO c1cnn(CCN[C@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000183149775 427210137 /nfs/dbraw/zinc/21/01/37/427210137.db2.gz HCZLPAZYDSNBDM-AQNXPRMDSA-N 1 3 324.472 2.773 20 0 DFADHO C[NH+](C)CCc1ccc(NC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000269518749 427215269 /nfs/dbraw/zinc/21/52/69/427215269.db2.gz RJSNSHLVMCSKSY-SFHVURJKSA-N 1 3 311.429 2.819 20 0 DFADHO C[C@H](CCc1cccc(F)c1)[NH+]1CCC(N(C)CCCO)CC1 ZINC000183303503 427241841 /nfs/dbraw/zinc/24/18/41/427241841.db2.gz RBEJNZLWMODKRC-MRXNPFEDSA-N 1 3 322.468 2.925 20 0 DFADHO CN(CCCO)C1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338309748 427252314 /nfs/dbraw/zinc/25/23/14/427252314.db2.gz WFCPZUDJPFRIKW-CQSZACIVSA-N 1 3 304.425 2.591 20 0 DFADHO C(CO[C@H]1CCCCO1)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000338314191 427256504 /nfs/dbraw/zinc/25/65/04/427256504.db2.gz IKUZNTIVMNGUTF-MSOLQXFVSA-N 1 3 310.482 2.728 20 0 DFADHO C(CO[C@H]1CCCCO1)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000338314191 427256508 /nfs/dbraw/zinc/25/65/08/427256508.db2.gz IKUZNTIVMNGUTF-MSOLQXFVSA-N 1 3 310.482 2.728 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000338328379 427262688 /nfs/dbraw/zinc/26/26/88/427262688.db2.gz RSJFZJULJHHGEI-PMACEKPBSA-N 1 3 316.489 2.887 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000338328379 427262693 /nfs/dbraw/zinc/26/26/93/427262693.db2.gz RSJFZJULJHHGEI-PMACEKPBSA-N 1 3 316.489 2.887 20 0 DFADHO Cc1cnn(C)c1C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000285577302 427278804 /nfs/dbraw/zinc/27/88/04/427278804.db2.gz WTESWWLPYLBHBD-UHFFFAOYSA-N 1 3 318.490 2.792 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000262147981 427352475 /nfs/dbraw/zinc/35/24/75/427352475.db2.gz QRLOKGSBZVYCIA-LZLYRXPVSA-N 1 3 323.525 2.863 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000262147981 427352478 /nfs/dbraw/zinc/35/24/78/427352478.db2.gz QRLOKGSBZVYCIA-LZLYRXPVSA-N 1 3 323.525 2.863 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191334028 427321433 /nfs/dbraw/zinc/32/14/33/427321433.db2.gz PTKVPPRPNYGNCA-GOEBONIOSA-N 1 3 324.513 2.954 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191334060 427321778 /nfs/dbraw/zinc/32/17/78/427321778.db2.gz PTKVPPRPNYGNCA-GDBMZVCRSA-N 1 3 324.513 2.954 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)CO2 ZINC000297115494 427334049 /nfs/dbraw/zinc/33/40/49/427334049.db2.gz YHKWIBKGPBWCJD-MRXNPFEDSA-N 1 3 318.461 2.851 20 0 DFADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000191387251 427338245 /nfs/dbraw/zinc/33/82/45/427338245.db2.gz USCJOWFZKHWMBJ-UHFFFAOYSA-N 1 3 303.494 2.925 20 0 DFADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000191387251 427338249 /nfs/dbraw/zinc/33/82/49/427338249.db2.gz USCJOWFZKHWMBJ-UHFFFAOYSA-N 1 3 303.494 2.925 20 0 DFADHO Cc1nc2ccccc2n1C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261999294 427348038 /nfs/dbraw/zinc/34/80/38/427348038.db2.gz TXDXIQXYJDGTNW-INIZCTEOSA-N 1 3 312.461 2.981 20 0 DFADHO Cc1nc2ccccc2n1C1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000261999294 427348043 /nfs/dbraw/zinc/34/80/43/427348043.db2.gz TXDXIQXYJDGTNW-INIZCTEOSA-N 1 3 312.461 2.981 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@H](OC)c2ccccc2)C1 ZINC000338549511 427375032 /nfs/dbraw/zinc/37/50/32/427375032.db2.gz RRQOQEFNCRZPPN-OALUTQOASA-N 1 3 320.477 2.807 20 0 DFADHO CCO[C@@H]1C[C@@H](NCc2cccc(C[NH+](C)C)c2)[C@H]1SC ZINC000297313115 427396949 /nfs/dbraw/zinc/39/69/49/427396949.db2.gz BWXIDTJWAIENJY-BRWVUGGUSA-N 1 3 308.491 2.747 20 0 DFADHO c1cn(-c2ccccc2)c(CNCC2CC[NH+](C3CC3)CC2)n1 ZINC000278102588 427405893 /nfs/dbraw/zinc/40/58/93/427405893.db2.gz ACDUROHZZMPTAI-UHFFFAOYSA-N 1 3 310.445 2.836 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000293720754 427414027 /nfs/dbraw/zinc/41/40/27/427414027.db2.gz NQOPCOMYFMDEJW-DOMZBBRYSA-N 1 3 315.383 2.963 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000293720754 427414034 /nfs/dbraw/zinc/41/40/34/427414034.db2.gz NQOPCOMYFMDEJW-DOMZBBRYSA-N 1 3 315.383 2.963 20 0 DFADHO C[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1cscn1 ZINC000271146020 427417191 /nfs/dbraw/zinc/41/71/91/427417191.db2.gz PKQUVLUXSKDHRX-AWEZNQCLSA-N 1 3 319.474 2.977 20 0 DFADHO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCCN(CC)CC)C1 ZINC000191462636 427355856 /nfs/dbraw/zinc/35/58/56/427355856.db2.gz CEDKHAJYSHOWLA-DLBZAZTESA-N 1 3 311.514 2.735 20 0 DFADHO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCN(CC)CC)C1 ZINC000191462636 427355860 /nfs/dbraw/zinc/35/58/60/427355860.db2.gz CEDKHAJYSHOWLA-DLBZAZTESA-N 1 3 311.514 2.735 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN(C)C)c(C)c1 ZINC000293874504 427474071 /nfs/dbraw/zinc/47/40/71/427474071.db2.gz YITQMZSGRQXHJP-GDBMZVCRSA-N 1 3 305.466 2.808 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@@H](C)C[NH+](C)C)c(C)c1 ZINC000293874504 427474076 /nfs/dbraw/zinc/47/40/76/427474076.db2.gz YITQMZSGRQXHJP-GDBMZVCRSA-N 1 3 305.466 2.808 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C)CN(C)C)c(C)c1 ZINC000293874514 427474389 /nfs/dbraw/zinc/47/43/89/427474389.db2.gz YITQMZSGRQXHJP-HOCLYGCPSA-N 1 3 305.466 2.808 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@H](C)C[NH+](C)C)c(C)c1 ZINC000293874514 427474399 /nfs/dbraw/zinc/47/43/99/427474399.db2.gz YITQMZSGRQXHJP-HOCLYGCPSA-N 1 3 305.466 2.808 20 0 DFADHO CC[N@H+](CCNC(=O)c1cccc(CN2CCCC2)c1)C(C)C ZINC000338767562 427476948 /nfs/dbraw/zinc/47/69/48/427476948.db2.gz OISWVDCFKBOLHP-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CC[N@@H+](CCNC(=O)c1cccc(CN2CCCC2)c1)C(C)C ZINC000338767562 427476953 /nfs/dbraw/zinc/47/69/53/427476953.db2.gz OISWVDCFKBOLHP-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@H]1C[N@H+](CCCN[C@@H]2CCc3cc(F)ccc32)CCCO1 ZINC000278363093 427431797 /nfs/dbraw/zinc/43/17/97/427431797.db2.gz BLWYNIWRVGCSTN-RDTXWAMCSA-N 1 3 306.425 2.904 20 0 DFADHO C[C@@H]1C[N@@H+](CCCN[C@@H]2CCc3cc(F)ccc32)CCCO1 ZINC000278363093 427431804 /nfs/dbraw/zinc/43/18/04/427431804.db2.gz BLWYNIWRVGCSTN-RDTXWAMCSA-N 1 3 306.425 2.904 20 0 DFADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])N(C)C)cc1 ZINC000263217903 427440625 /nfs/dbraw/zinc/44/06/25/427440625.db2.gz LGCPIEXLSYZIFV-ZIFCJYIRSA-N 1 3 317.477 2.622 20 0 DFADHO C[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000278980515 427521517 /nfs/dbraw/zinc/52/15/17/427521517.db2.gz PJPBJRBHFDTRAX-NXWXRZEISA-N 1 3 302.462 2.648 20 0 DFADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000298195980 427531328 /nfs/dbraw/zinc/53/13/28/427531328.db2.gz CRAVJRLNVGLDCK-IUODEOHRSA-N 1 3 316.367 2.813 20 0 DFADHO C[C@H](CO)CCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000271454708 427544621 /nfs/dbraw/zinc/54/46/21/427544621.db2.gz GPCDTYGANXYFKT-HOTGVXAUSA-N 1 3 308.466 2.686 20 0 DFADHO c1ccc(CN2CCC[C@@H]3C[N@@H+]([C@@H]4CCOC4)CC[C@H]32)cc1 ZINC000271456372 427545491 /nfs/dbraw/zinc/54/54/91/427545491.db2.gz VXPDXTPHRFXALH-GUDVDZBRSA-N 1 3 300.446 2.762 20 0 DFADHO c1ccc(CN2CCC[C@@H]3C[N@H+]([C@@H]4CCOC4)CC[C@H]32)cc1 ZINC000271456372 427545496 /nfs/dbraw/zinc/54/54/96/427545496.db2.gz VXPDXTPHRFXALH-GUDVDZBRSA-N 1 3 300.446 2.762 20 0 DFADHO c1cc(N2CCC([NH2+]CCCN3CCCCC3)CC2)ccn1 ZINC000298264798 427552050 /nfs/dbraw/zinc/55/20/50/427552050.db2.gz GBLXDFMZXGHLCC-UHFFFAOYSA-N 1 3 302.466 2.516 20 0 DFADHO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000271538382 427576575 /nfs/dbraw/zinc/57/65/75/427576575.db2.gz YAUIZUDYHBQXBZ-HOTGVXAUSA-N 1 3 316.449 2.563 20 0 DFADHO C[C@@H](Cn1cccn1)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000271538382 427576583 /nfs/dbraw/zinc/57/65/83/427576583.db2.gz YAUIZUDYHBQXBZ-HOTGVXAUSA-N 1 3 316.449 2.563 20 0 DFADHO CCc1oc(CNCC2CC[NH+](C3CC3)CC2)cc1C(=O)OC ZINC000338953128 427583903 /nfs/dbraw/zinc/58/39/03/427583903.db2.gz QPIJVMLLPBWDKT-UHFFFAOYSA-N 1 3 320.433 2.593 20 0 DFADHO COc1cccc(O[C@@H](C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192907184 427632438 /nfs/dbraw/zinc/63/24/38/427632438.db2.gz KLGQEBYVDDJYPL-HNSVSWJLSA-N 1 3 304.434 2.677 20 0 DFADHO COc1cccc(O[C@@H](C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192907184 427632445 /nfs/dbraw/zinc/63/24/45/427632445.db2.gz KLGQEBYVDDJYPL-HNSVSWJLSA-N 1 3 304.434 2.677 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287583835 427647307 /nfs/dbraw/zinc/64/73/07/427647307.db2.gz CIVPLJVWLVJFDW-ZWKOTPCHSA-N 1 3 303.450 2.547 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287583835 427647309 /nfs/dbraw/zinc/64/73/09/427647309.db2.gz CIVPLJVWLVJFDW-ZWKOTPCHSA-N 1 3 303.450 2.547 20 0 DFADHO CCn1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000272146960 427649909 /nfs/dbraw/zinc/64/99/09/427649909.db2.gz CMACAWYQOZICSQ-LPHOPBHVSA-N 1 3 312.461 2.903 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+]C3CCC(O)CC3)cc2)CC1 ZINC000287616673 427656229 /nfs/dbraw/zinc/65/62/29/427656229.db2.gz STBHZOQQHUJPHL-UHFFFAOYSA-N 1 3 318.461 2.553 20 0 DFADHO C[C@@H]1CCCCN1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298608637 427657048 /nfs/dbraw/zinc/65/70/48/427657048.db2.gz ZTHLTMAGGFGNCK-MRXNPFEDSA-N 1 3 302.466 2.514 20 0 DFADHO C[C@H](NCc1ccncc1OCCC[NH+](C)C)[C@@H]1CC1(C)C ZINC000342410390 272006652 /nfs/dbraw/zinc/00/66/52/272006652.db2.gz AXFDSRDNQSIBAA-HOCLYGCPSA-N 1 3 305.466 2.936 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCC3(C)C)cc2)CC1 ZINC000342715639 272045352 /nfs/dbraw/zinc/04/53/52/272045352.db2.gz WLVVGLAWBUHEDA-SFHVURJKSA-N 1 3 301.478 2.712 20 0 DFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000342719172 272046217 /nfs/dbraw/zinc/04/62/17/272046217.db2.gz AHZSVWNTFVKSBX-GOSISDBHSA-N 1 3 320.477 2.922 20 0 DFADHO CC[C@@H]1C[C@H](C)CC[C@@H]1NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333654725 427668957 /nfs/dbraw/zinc/66/89/57/427668957.db2.gz ZRBZJBJTHIXOJO-NFAWXSAZSA-N 1 3 305.470 2.576 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+]CC[C@H]3CCOC3)cc2)CC1 ZINC000342819226 272059173 /nfs/dbraw/zinc/05/91/73/272059173.db2.gz AEQZCQAYSHUVLR-KRWDZBQOSA-N 1 3 318.461 2.676 20 0 DFADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCOCCN(C)C ZINC000343460226 272152551 /nfs/dbraw/zinc/15/25/51/272152551.db2.gz SOFDCJGYTREZNE-CYBMUJFWSA-N 1 3 318.383 2.804 20 0 DFADHO C[C@H](CN[C@@H](C)c1cccc(-n2ccnn2)c1)C[NH+]1CCCC1 ZINC000287708795 427675853 /nfs/dbraw/zinc/67/58/53/427675853.db2.gz NZWJNEAVWZNGNS-CVEARBPZSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@H](C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)CN1CCCC1 ZINC000287708795 427675855 /nfs/dbraw/zinc/67/58/55/427675855.db2.gz NZWJNEAVWZNGNS-CVEARBPZSA-N 1 3 313.449 2.650 20 0 DFADHO CC[N@@H+]1C[C@@H](C)[C@H](NCc2ccc(-n3ccnc3C)c(F)c2)C1 ZINC000343730869 272209340 /nfs/dbraw/zinc/20/93/40/272209340.db2.gz FGEFFHAMCDQFJA-CXAGYDPISA-N 1 3 316.424 2.750 20 0 DFADHO CC[N@H+]1C[C@@H](C)[C@H](NCc2ccc(-n3ccnc3C)c(F)c2)C1 ZINC000343730869 272209343 /nfs/dbraw/zinc/20/93/43/272209343.db2.gz FGEFFHAMCDQFJA-CXAGYDPISA-N 1 3 316.424 2.750 20 0 DFADHO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343888288 272231910 /nfs/dbraw/zinc/23/19/10/272231910.db2.gz OWVGMMHJUNTLJL-GPMSIDNRSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343888288 272231911 /nfs/dbraw/zinc/23/19/11/272231911.db2.gz OWVGMMHJUNTLJL-GPMSIDNRSA-N 1 3 319.468 2.845 20 0 DFADHO CCN1C[C@@H](C)[C@H]([NH2+]CC2CCN(Cc3cccs3)CC2)C1 ZINC000343990446 272248549 /nfs/dbraw/zinc/24/85/49/272248549.db2.gz UXIAGRSXUTXWBG-CRAIPNDOSA-N 1 3 321.534 2.890 20 0 DFADHO C[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)N1CCCCCC1 ZINC000344027205 272251507 /nfs/dbraw/zinc/25/15/07/272251507.db2.gz DOWXYDBREICHOR-LMMKCTJWSA-N 1 3 323.525 2.878 20 0 DFADHO CN(CCCN(C)Cc1cccc(Cl)c1F)CC[NH+](C)C ZINC000344047063 272252264 /nfs/dbraw/zinc/25/22/64/272252264.db2.gz YFTCDGPAFGHBSM-UHFFFAOYSA-N 1 3 315.864 2.794 20 0 DFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccccc1C ZINC000344136102 272271803 /nfs/dbraw/zinc/27/18/03/272271803.db2.gz UEWJNDXXVPFCNW-UHFFFAOYSA-N 1 3 303.494 2.845 20 0 DFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccccc1C ZINC000344136102 272271805 /nfs/dbraw/zinc/27/18/05/272271805.db2.gz UEWJNDXXVPFCNW-UHFFFAOYSA-N 1 3 303.494 2.845 20 0 DFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000344614945 272348853 /nfs/dbraw/zinc/34/88/53/272348853.db2.gz LOOIRFAIZXNMNW-IKGGRYGDSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000344614945 272348855 /nfs/dbraw/zinc/34/88/55/272348855.db2.gz LOOIRFAIZXNMNW-IKGGRYGDSA-N 1 3 309.498 2.630 20 0 DFADHO CCCOc1cccc(CNCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000344630329 272350295 /nfs/dbraw/zinc/35/02/95/272350295.db2.gz MVKKHBMTPPMTTP-UHFFFAOYSA-N 1 3 320.477 2.800 20 0 DFADHO CC[C@H](C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)N(CC)CC ZINC000345043488 272397631 /nfs/dbraw/zinc/39/76/31/272397631.db2.gz HUEGQEVAPXUSTM-XLAORIBOSA-N 1 3 323.525 2.971 20 0 DFADHO C[C@H](NC[C@H](O)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185743810 427697762 /nfs/dbraw/zinc/69/77/62/427697762.db2.gz RULDFLQLFMDPOL-ILZDJORESA-N 1 3 316.489 2.833 20 0 DFADHO C[C@H](NC[C@H](O)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185743810 427697773 /nfs/dbraw/zinc/69/77/73/427697773.db2.gz RULDFLQLFMDPOL-ILZDJORESA-N 1 3 316.489 2.833 20 0 DFADHO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185743810 427697777 /nfs/dbraw/zinc/69/77/77/427697777.db2.gz RULDFLQLFMDPOL-ILZDJORESA-N 1 3 316.489 2.833 20 0 DFADHO CN1C[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]2C1 ZINC000193600332 427700739 /nfs/dbraw/zinc/70/07/39/427700739.db2.gz LQSKQDLPAHUWHZ-OKILXGFUSA-N 1 3 314.351 2.621 20 0 DFADHO CN1C[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]2C1 ZINC000193600332 427700744 /nfs/dbraw/zinc/70/07/44/427700744.db2.gz LQSKQDLPAHUWHZ-OKILXGFUSA-N 1 3 314.351 2.621 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2NCCCC2(C)C)CC1 ZINC000336872355 427768576 /nfs/dbraw/zinc/76/85/76/427768576.db2.gz MEHBCJHNPLMMGY-KRWDZBQOSA-N 1 3 323.525 2.735 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2NCCCC2(C)C)CC1 ZINC000336872355 427768577 /nfs/dbraw/zinc/76/85/77/427768577.db2.gz MEHBCJHNPLMMGY-KRWDZBQOSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000339439570 427776036 /nfs/dbraw/zinc/77/60/36/427776036.db2.gz XAKCBIWQGXEAPY-BBWFWOEESA-N 1 3 321.509 2.582 20 0 DFADHO C[C@@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000339439570 427776038 /nfs/dbraw/zinc/77/60/38/427776038.db2.gz XAKCBIWQGXEAPY-BBWFWOEESA-N 1 3 321.509 2.582 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000336694096 427748418 /nfs/dbraw/zinc/74/84/18/427748418.db2.gz YNDVWOWOSZUSLX-OALUTQOASA-N 1 3 301.478 2.582 20 0 DFADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000336694096 427748419 /nfs/dbraw/zinc/74/84/19/427748419.db2.gz YNDVWOWOSZUSLX-OALUTQOASA-N 1 3 301.478 2.582 20 0 DFADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000336694096 427748424 /nfs/dbraw/zinc/74/84/24/427748424.db2.gz YNDVWOWOSZUSLX-OALUTQOASA-N 1 3 301.478 2.582 20 0 DFADHO Cc1sccc1C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000339300198 427754048 /nfs/dbraw/zinc/75/40/48/427754048.db2.gz BTQKFTZQULABHK-SJORKVTESA-N 1 3 308.491 2.914 20 0 DFADHO NC[C@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000337044393 427791806 /nfs/dbraw/zinc/79/18/06/427791806.db2.gz DQJKPVVOBKKLCL-LSDHHAIUSA-N 1 3 316.367 2.630 20 0 DFADHO NC[C@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000337044393 427791807 /nfs/dbraw/zinc/79/18/07/427791807.db2.gz DQJKPVVOBKKLCL-LSDHHAIUSA-N 1 3 316.367 2.630 20 0 DFADHO [NH3+]C[C@H]1CN(CCCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000337044393 427791808 /nfs/dbraw/zinc/79/18/08/427791808.db2.gz DQJKPVVOBKKLCL-LSDHHAIUSA-N 1 3 316.367 2.630 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000337311244 427837316 /nfs/dbraw/zinc/83/73/16/427837316.db2.gz CAUHMPZNMVVWJW-ROUUACIJSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000337311244 427837320 /nfs/dbraw/zinc/83/73/20/427837320.db2.gz CAUHMPZNMVVWJW-ROUUACIJSA-N 1 3 321.509 2.630 20 0 DFADHO Cc1cnc([C@H](C)NCCCN2CC[NH+](C(C)C)CC2)s1 ZINC000337312035 427838931 /nfs/dbraw/zinc/83/89/31/427838931.db2.gz DLPGSXIKSBPPBL-HNNXBMFYSA-N 1 3 310.511 2.518 20 0 DFADHO COc1cc(C[NH2+]C2CCN(C3CCC3)CC2)cc2c1OCO2 ZINC000340425419 427844794 /nfs/dbraw/zinc/84/47/94/427844794.db2.gz IWMZOBZXJYPLHL-UHFFFAOYSA-N 1 3 318.417 2.530 20 0 DFADHO CC[C@@H](NCC1(O)CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000359436693 427849381 /nfs/dbraw/zinc/84/93/81/427849381.db2.gz XSMUNYNEWMHFGL-CQSZACIVSA-N 1 3 314.832 2.977 20 0 DFADHO CC(C)N1CCN(CCC[N@H+](C)C2Cc3ccccc3C2)CC1 ZINC000337338530 427852320 /nfs/dbraw/zinc/85/23/20/427852320.db2.gz QFOIMDKOOVEXKU-UHFFFAOYSA-N 1 3 315.505 2.502 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+](C)C2Cc3ccccc3C2)CC1 ZINC000337338530 427852327 /nfs/dbraw/zinc/85/23/27/427852327.db2.gz QFOIMDKOOVEXKU-UHFFFAOYSA-N 1 3 315.505 2.502 20 0 DFADHO CC[C@H](Cn1cncn1)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000340467452 427854997 /nfs/dbraw/zinc/85/49/97/427854997.db2.gz PHCXDPCSIXCVDU-GOSISDBHSA-N 1 3 315.465 2.688 20 0 DFADHO CC(C)OC[C@H](C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000337348394 427857106 /nfs/dbraw/zinc/85/71/06/427857106.db2.gz YYMUOFBUYOUKIJ-INIZCTEOSA-N 1 3 320.477 2.546 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340500309 427866103 /nfs/dbraw/zinc/86/61/03/427866103.db2.gz RIAMAXVVJPZEGB-XMTFNYHQSA-N 1 3 321.509 2.725 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340500309 427866107 /nfs/dbraw/zinc/86/61/07/427866107.db2.gz RIAMAXVVJPZEGB-XMTFNYHQSA-N 1 3 321.509 2.725 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)C(C)C ZINC000340515005 427870227 /nfs/dbraw/zinc/87/02/27/427870227.db2.gz LIKZRRGGANXQKJ-IRXDYDNUSA-N 1 3 311.514 2.543 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)C(C)C ZINC000340515005 427870235 /nfs/dbraw/zinc/87/02/35/427870235.db2.gz LIKZRRGGANXQKJ-IRXDYDNUSA-N 1 3 311.514 2.543 20 0 DFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)N1CCCCC1 ZINC000345759663 427891688 /nfs/dbraw/zinc/89/16/88/427891688.db2.gz ZHUTUNYFQLHIDC-ZWKOTPCHSA-N 1 3 323.525 2.878 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000337584302 427968867 /nfs/dbraw/zinc/96/88/67/427968867.db2.gz DIGINIWAAPPCAS-UAGQMJEPSA-N 1 3 318.461 2.851 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000337584302 427968874 /nfs/dbraw/zinc/96/88/74/427968874.db2.gz DIGINIWAAPPCAS-UAGQMJEPSA-N 1 3 318.461 2.851 20 0 DFADHO CN1CC[C@H]([NH2+][C@H]2CCc3cn[nH]c3C2)C[C@H]1c1ccccc1 ZINC000340262554 427970249 /nfs/dbraw/zinc/97/02/49/427970249.db2.gz LNBFOVVVAQRBPI-LNLFQRSKSA-N 1 3 310.445 2.692 20 0 DFADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc2c(c1)CCCC2 ZINC000341033210 427972217 /nfs/dbraw/zinc/97/22/17/427972217.db2.gz KMSQMHLBGXMDNC-DNVCBOLYSA-N 1 3 302.462 2.673 20 0 DFADHO CC(C)[C@@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)N1CCCCC1 ZINC000341047745 427979393 /nfs/dbraw/zinc/97/93/93/427979393.db2.gz BSQAQDFDUVNETL-KSZLIROESA-N 1 3 323.525 2.876 20 0 DFADHO CC(C)[C@@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)N1CCCCC1 ZINC000341047745 427979398 /nfs/dbraw/zinc/97/93/98/427979398.db2.gz BSQAQDFDUVNETL-KSZLIROESA-N 1 3 323.525 2.876 20 0 DFADHO C[C@@H]([NH3+])C1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000347173587 272740679 /nfs/dbraw/zinc/74/06/79/272740679.db2.gz PGPPKDZPBJHVEM-CQSZACIVSA-N 1 3 312.417 2.828 20 0 DFADHO CCN(Cc1ccc(C(=O)NC(C)(C)CCC[NH3+])cc1)C1CC1 ZINC000340136814 427935848 /nfs/dbraw/zinc/93/58/48/427935848.db2.gz GNMOOBMOQQDGJI-UHFFFAOYSA-N 1 3 317.477 2.918 20 0 DFADHO CCN1CCC([NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000340181201 427946710 /nfs/dbraw/zinc/94/67/10/427946710.db2.gz MWKLCNHYTLPIFA-MOPGFXCFSA-N 1 3 301.478 2.896 20 0 DFADHO CN1CC[C@H]([NH2+]CCCN2CCCC2)C[C@@H]1c1ccccc1 ZINC000340183135 427948043 /nfs/dbraw/zinc/94/80/43/427948043.db2.gz VFULALGSNKKQKB-RBUKOAKNSA-N 1 3 301.478 2.897 20 0 DFADHO C[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@]1(C)CCCO1 ZINC000340189074 427951403 /nfs/dbraw/zinc/95/14/03/427951403.db2.gz UNUYMWHUBZKFNZ-YJBOKZPZSA-N 1 3 306.450 2.674 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000356171393 428050082 /nfs/dbraw/zinc/05/00/82/428050082.db2.gz RLMCONIOLBINAD-CVEARBPZSA-N 1 3 309.498 2.630 20 0 DFADHO CN(C)C1(C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)CCC1 ZINC000340361086 427999047 /nfs/dbraw/zinc/99/90/47/427999047.db2.gz ZSMKGUFYQJCMIJ-MSOLQXFVSA-N 1 3 301.478 2.896 20 0 DFADHO CC1=C[C@@H](C)C[C@@H](CN2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000356054965 428003354 /nfs/dbraw/zinc/00/33/54/428003354.db2.gz BZAYUGHXSUKZOK-IEBWSBKVSA-N 1 3 305.510 2.692 20 0 DFADHO c1ccc(C[N@@H+]2C[C@H](NCC3=CCCOC3)C[C@H]2C2CC2)cc1 ZINC000376824992 428006781 /nfs/dbraw/zinc/00/67/81/428006781.db2.gz ZMXGHGVOQPIJHF-UXHICEINSA-N 1 3 312.457 2.976 20 0 DFADHO c1ccc(C[N@H+]2C[C@H](NCC3=CCCOC3)C[C@H]2C2CC2)cc1 ZINC000376824992 428006786 /nfs/dbraw/zinc/00/67/86/428006786.db2.gz ZMXGHGVOQPIJHF-UXHICEINSA-N 1 3 312.457 2.976 20 0 DFADHO CC(C)[C@H](C(=O)N1CC[C@H](N2CCCCC2)C1)[NH+]1CCCCC1 ZINC000341188185 428006870 /nfs/dbraw/zinc/00/68/70/428006870.db2.gz LLJPWQMOFIHSRS-ZWKOTPCHSA-N 1 3 321.509 2.584 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000356206804 428067558 /nfs/dbraw/zinc/06/75/58/428067558.db2.gz BOZXGKMNRUEKGN-HNNXBMFYSA-N 1 3 311.514 2.732 20 0 DFADHO C[C@H]1CN(CCCCC(F)(F)F)CCN1C1CC[NH+](C)CC1 ZINC000369908300 428088845 /nfs/dbraw/zinc/08/88/45/428088845.db2.gz LFCAIERTUJCFEM-AWEZNQCLSA-N 1 3 321.431 2.819 20 0 DFADHO CCC(CC)[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000341556927 428104543 /nfs/dbraw/zinc/10/45/43/428104543.db2.gz ZLUNNWDYQITWTG-HNNXBMFYSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[NH+]1CCC(N(C)CCc2ccc3c(c2)OCCO3)CC1 ZINC000360011881 428118032 /nfs/dbraw/zinc/11/80/32/428118032.db2.gz YJWYAWWFCQHNBZ-UHFFFAOYSA-N 1 3 318.461 2.805 20 0 DFADHO CC(C)[C@@H](CSc1ccccc1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000352558279 428149638 /nfs/dbraw/zinc/14/96/38/428149638.db2.gz VXFLLGHOYQKRPI-SJLPKXTDSA-N 1 3 322.518 2.850 20 0 DFADHO COc1ccc(C[C@@H](C)N[C@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000414110575 428209310 /nfs/dbraw/zinc/20/93/10/428209310.db2.gz ICNNAIUFIPRLRD-ZBFHGGJFSA-N 1 3 303.450 2.628 20 0 DFADHO COc1ccc(C[C@@H](C)N[C@H]2CC[N@H+](C3CCCC3)C2)cn1 ZINC000414110575 428209313 /nfs/dbraw/zinc/20/93/13/428209313.db2.gz ICNNAIUFIPRLRD-ZBFHGGJFSA-N 1 3 303.450 2.628 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370488015 428223366 /nfs/dbraw/zinc/22/33/66/428223366.db2.gz KFMAWNJSOSNOCN-MSOLQXFVSA-N 1 3 321.509 2.585 20 0 DFADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370488015 428223369 /nfs/dbraw/zinc/22/33/69/428223369.db2.gz KFMAWNJSOSNOCN-MSOLQXFVSA-N 1 3 321.509 2.585 20 0 DFADHO COC[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414172296 428224638 /nfs/dbraw/zinc/22/46/38/428224638.db2.gz DSXYHHYSYSCNQB-GUYCJALGSA-N 1 3 312.404 2.974 20 0 DFADHO COC[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414172296 428224645 /nfs/dbraw/zinc/22/46/45/428224645.db2.gz DSXYHHYSYSCNQB-GUYCJALGSA-N 1 3 312.404 2.974 20 0 DFADHO C[C@@H]1CN(C(C)(C)CNc2cc[nH+]c3ccccc23)C[C@H](C)O1 ZINC000346588645 428229426 /nfs/dbraw/zinc/22/94/26/428229426.db2.gz AXBRSZMSNGWRLG-GASCZTMLSA-N 1 3 313.445 2.956 20 0 DFADHO COc1ccc(C[C@@H](C)NC2CC[NH+](CC(C)C)CC2)cn1 ZINC000414065446 428195694 /nfs/dbraw/zinc/19/56/94/428195694.db2.gz OQCULSGVYJCJIA-OAHLLOKOSA-N 1 3 305.466 2.731 20 0 DFADHO CC[N@H+](CCCN(C)C)Cc1c[nH]nc1-c1ccccc1F ZINC000377687393 428197356 /nfs/dbraw/zinc/19/73/56/428197356.db2.gz AKMFRLXBHNYVGU-UHFFFAOYSA-N 1 3 304.413 2.989 20 0 DFADHO CC[N@@H+](CCCN(C)C)Cc1c[nH]nc1-c1ccccc1F ZINC000377687393 428197361 /nfs/dbraw/zinc/19/73/61/428197361.db2.gz AKMFRLXBHNYVGU-UHFFFAOYSA-N 1 3 304.413 2.989 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@H](C(C)C)[NH+]2CCCC2)cn1 ZINC000414075251 428199421 /nfs/dbraw/zinc/19/94/21/428199421.db2.gz XNEMSQLFKZHOMZ-DOTOQJQBSA-N 1 3 305.466 2.731 20 0 DFADHO CC[C@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1ccc(F)cn1 ZINC000352685270 428204443 /nfs/dbraw/zinc/20/44/43/428204443.db2.gz SWAHRUPSNMKVCE-WBVHZDCISA-N 1 3 322.472 2.535 20 0 DFADHO C[NH2+]CCC1CCN(Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000346671636 428264794 /nfs/dbraw/zinc/26/47/94/428264794.db2.gz KJTRXBWMKLYEJN-UHFFFAOYSA-N 1 3 312.461 2.753 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414351901 428266572 /nfs/dbraw/zinc/26/65/72/428266572.db2.gz SLMBEHNXBONBLM-AHEZYBDSSA-N 1 3 305.441 2.723 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414351901 428266576 /nfs/dbraw/zinc/26/65/76/428266576.db2.gz SLMBEHNXBONBLM-AHEZYBDSSA-N 1 3 305.441 2.723 20 0 DFADHO CC1CCC([NH+]2CCC(NC(=O)C3(N)CCCCC3)CC2)CC1 ZINC000370762746 428293618 /nfs/dbraw/zinc/29/36/18/428293618.db2.gz AHKYQAWVVKAVIN-UHFFFAOYSA-N 1 3 321.509 2.807 20 0 DFADHO COCCOc1cccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000377840132 428242257 /nfs/dbraw/zinc/24/22/57/428242257.db2.gz POYAIGGWTLJFBP-HKUYNNGSSA-N 1 3 318.461 2.628 20 0 DFADHO COCCOc1cccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000377840132 428242262 /nfs/dbraw/zinc/24/22/62/428242262.db2.gz POYAIGGWTLJFBP-HKUYNNGSSA-N 1 3 318.461 2.628 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCC1CCCC1 ZINC000346617460 428242405 /nfs/dbraw/zinc/24/24/05/428242405.db2.gz HFIJRYSLYFVUOM-SFHVURJKSA-N 1 3 323.525 2.831 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCC1CCCC1 ZINC000346617460 428242410 /nfs/dbraw/zinc/24/24/10/428242410.db2.gz HFIJRYSLYFVUOM-SFHVURJKSA-N 1 3 323.525 2.831 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000356604763 428250783 /nfs/dbraw/zinc/25/07/83/428250783.db2.gz SUKMOPSEPUJXMH-HNNXBMFYSA-N 1 3 305.466 2.598 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000356604763 428250787 /nfs/dbraw/zinc/25/07/87/428250787.db2.gz SUKMOPSEPUJXMH-HNNXBMFYSA-N 1 3 305.466 2.598 20 0 DFADHO [NH3+]CC1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000346646596 428252856 /nfs/dbraw/zinc/25/28/56/428252856.db2.gz OPHMFMWOKHIKEH-UHFFFAOYSA-N 1 3 320.330 2.938 20 0 DFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(OCCC[NH3+])CC1 ZINC000346656609 428258532 /nfs/dbraw/zinc/25/85/32/428258532.db2.gz GOQJQPLTCORWAY-UHFFFAOYSA-N 1 3 322.497 2.585 20 0 DFADHO C[C@H](O)CCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352813492 428260991 /nfs/dbraw/zinc/26/09/91/428260991.db2.gz BTEZGRNWRXFXSJ-HKUYNNGSSA-N 1 3 302.462 2.745 20 0 DFADHO C[C@H](O)CCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352813492 428260992 /nfs/dbraw/zinc/26/09/92/428260992.db2.gz BTEZGRNWRXFXSJ-HKUYNNGSSA-N 1 3 302.462 2.745 20 0 DFADHO C[C@H](C(=O)N1CCCc2cc(C[NH3+])ccc21)[C@@H](N)c1ccccc1 ZINC000378187083 428328370 /nfs/dbraw/zinc/32/83/70/428328370.db2.gz HDNPOQRIAOPUKR-IFXJQAMLSA-N 1 3 323.440 2.761 20 0 DFADHO C[C@]1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOC1 ZINC000356840451 428334029 /nfs/dbraw/zinc/33/40/29/428334029.db2.gz FLTZJFRJZSOUGP-MTQWCTHYSA-N 1 3 314.473 2.913 20 0 DFADHO CC(C)n1ncc2cc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cnc21 ZINC000346829889 428334309 /nfs/dbraw/zinc/33/43/09/428334309.db2.gz OJQYUUCAKDFRKU-UAGQMJEPSA-N 1 3 313.449 2.571 20 0 DFADHO Cc1cccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000346833668 428336547 /nfs/dbraw/zinc/33/65/47/428336547.db2.gz MHKNMESRVSTDCX-RYQLBKOJSA-N 1 3 310.445 2.944 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1CCCOC1 ZINC000356874476 428341898 /nfs/dbraw/zinc/34/18/98/428341898.db2.gz QHHBAAFCGGOJLH-WBVHZDCISA-N 1 3 303.450 2.703 20 0 DFADHO CC[NH+]1CCC(NC[C@@](CC)(C(=O)OC)c2ccccc2)CC1 ZINC000414574975 428348028 /nfs/dbraw/zinc/34/80/28/428348028.db2.gz BNRVNPWGOUGEHC-LJQANCHMSA-N 1 3 318.461 2.581 20 0 DFADHO CC(C)c1cccc(NC(=[NH2+])NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000360572437 428354713 /nfs/dbraw/zinc/35/47/13/428354713.db2.gz KHHSRUXFIYYZIC-SJORKVTESA-N 1 3 316.449 2.609 20 0 DFADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000414728110 428388716 /nfs/dbraw/zinc/38/87/16/428388716.db2.gz CADXRCGJVLKTDR-HZPDHXFCSA-N 1 3 303.450 2.711 20 0 DFADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000414728110 428388721 /nfs/dbraw/zinc/38/87/21/428388721.db2.gz CADXRCGJVLKTDR-HZPDHXFCSA-N 1 3 303.450 2.711 20 0 DFADHO Cc1ncc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)n1-c1ccccc1 ZINC000414771552 428400569 /nfs/dbraw/zinc/40/05/69/428400569.db2.gz RJUCNTWQSBJMDK-CALCHBBNSA-N 1 3 310.445 2.612 20 0 DFADHO c1nc([C@@H]2CCCO2)sc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414773075 428402025 /nfs/dbraw/zinc/40/20/25/428402025.db2.gz CTYDDMYRJAPCLL-DZKIICNBSA-N 1 3 321.490 2.816 20 0 DFADHO [NH3+]C[C@@H]1CN(C/C=C/c2ccc(F)cc2)CC12CCOCC2 ZINC000414773732 428402104 /nfs/dbraw/zinc/40/21/04/428402104.db2.gz DULMABGVLVTDJC-XGBNDESESA-N 1 3 304.409 2.526 20 0 DFADHO [NH3+]C[C@H]1CN(C/C=C\c2ccc(F)cc2)CC12CCOCC2 ZINC000414773722 428402123 /nfs/dbraw/zinc/40/21/23/428402123.db2.gz DULMABGVLVTDJC-AIMAZDRCSA-N 1 3 304.409 2.526 20 0 DFADHO c1nc2ccccc2n1-c1ccc(C[NH2+]C2CCNCC2)cc1 ZINC000414779756 428403757 /nfs/dbraw/zinc/40/37/57/428403757.db2.gz ANNQHXYYPNMSJW-UHFFFAOYSA-N 1 3 306.413 2.867 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000347005112 428404516 /nfs/dbraw/zinc/40/45/16/428404516.db2.gz BBHDBYGDUWWCOG-AWEZNQCLSA-N 1 3 318.461 2.840 20 0 DFADHO C[C@@H](CC[N@@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000414775727 428405288 /nfs/dbraw/zinc/40/52/88/428405288.db2.gz GNGDJFPAYZTOCO-WMZOPIPTSA-N 1 3 302.462 2.868 20 0 DFADHO C[C@@H](CC[N@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000414775727 428405294 /nfs/dbraw/zinc/40/52/94/428405294.db2.gz GNGDJFPAYZTOCO-WMZOPIPTSA-N 1 3 302.462 2.868 20 0 DFADHO Cc1oc2ccccc2c1CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784290 428405872 /nfs/dbraw/zinc/40/58/72/428405872.db2.gz RCTARTWBDTXNOF-OAHLLOKOSA-N 1 3 314.429 2.929 20 0 DFADHO Cc1oc2ccccc2c1C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414784290 428405876 /nfs/dbraw/zinc/40/58/76/428405876.db2.gz RCTARTWBDTXNOF-OAHLLOKOSA-N 1 3 314.429 2.929 20 0 DFADHO Cc1oc2ccccc2c1C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414784290 428405881 /nfs/dbraw/zinc/40/58/81/428405881.db2.gz RCTARTWBDTXNOF-OAHLLOKOSA-N 1 3 314.429 2.929 20 0 DFADHO c1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000414787194 428410472 /nfs/dbraw/zinc/41/04/72/428410472.db2.gz VIQBMQMDLXXSDA-CVEARBPZSA-N 1 3 316.445 2.669 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cnc(-c2ccncc2)s1 ZINC000414793534 428412998 /nfs/dbraw/zinc/41/29/98/428412998.db2.gz DPCCSIUXSRTUQX-ZFWWWQNUSA-N 1 3 302.447 2.812 20 0 DFADHO CCc1cccnc1[C@@H](C)[NH2+]C[C@H](C)CN1CCN(CC)CC1 ZINC000356908429 428357864 /nfs/dbraw/zinc/35/78/64/428357864.db2.gz XPGHKGGPJJSYDY-DLBZAZTESA-N 1 3 318.509 2.568 20 0 DFADHO C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414670251 428370762 /nfs/dbraw/zinc/37/07/62/428370762.db2.gz CSROAWDXTGIETD-ZIAGYGMSSA-N 1 3 323.868 2.530 20 0 DFADHO C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414670251 428370768 /nfs/dbraw/zinc/37/07/68/428370768.db2.gz CSROAWDXTGIETD-ZIAGYGMSSA-N 1 3 323.868 2.530 20 0 DFADHO C[C@@H]1C[C@H](CN(C)Cc2ccc(Br)o2)CC[NH2+]1 ZINC000414683230 428372182 /nfs/dbraw/zinc/37/21/82/428372182.db2.gz ZRFFZFLHJUJRAQ-GHMZBOCLSA-N 1 3 301.228 2.862 20 0 DFADHO C[C@H]1C[C@H](CN(C)Cc2ccc(Br)o2)CC[NH2+]1 ZINC000414683233 428373309 /nfs/dbraw/zinc/37/33/09/428373309.db2.gz ZRFFZFLHJUJRAQ-WDEREUQCSA-N 1 3 301.228 2.862 20 0 DFADHO Cc1ccccc1CN1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414684453 428375122 /nfs/dbraw/zinc/37/51/22/428375122.db2.gz VSHXEXCOUJJUMX-ZWKOTPCHSA-N 1 3 301.478 2.501 20 0 DFADHO CN(Cc1ccccc1)[C@@H]1CCN(CCC[NH+]2CCCC2)C1 ZINC000371205088 428378561 /nfs/dbraw/zinc/37/85/61/428378561.db2.gz NSJBLIKBYATXMZ-LJQANCHMSA-N 1 3 301.478 2.679 20 0 DFADHO CCc1ccc(CN2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)s1 ZINC000414703162 428380456 /nfs/dbraw/zinc/38/04/56/428380456.db2.gz XWHRGGGNKCJXSB-CVEARBPZSA-N 1 3 321.534 2.816 20 0 DFADHO C[C@@H](C(=O)NCCCCC[NH+]1CCCC1)N1[C@H](C)CC[C@H]1C ZINC000357090525 428383390 /nfs/dbraw/zinc/38/33/90/428383390.db2.gz RZJNRWUWQDTQLR-ZACQAIPSSA-N 1 3 309.498 2.630 20 0 DFADHO CC[NH+]1CCC(N(C)C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000347089238 428439128 /nfs/dbraw/zinc/43/91/28/428439128.db2.gz ZQWSUJYPBOFELW-QGZVFWFLSA-N 1 3 310.869 2.660 20 0 DFADHO COCc1ccccc1/C=C(/C)C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000353229183 428440882 /nfs/dbraw/zinc/44/08/82/428440882.db2.gz DIUSZRGWKVOYRD-GWLSCYRCSA-N 1 3 300.446 2.730 20 0 DFADHO COCc1ccccc1/C=C(/C)C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000353229183 428440885 /nfs/dbraw/zinc/44/08/85/428440885.db2.gz DIUSZRGWKVOYRD-GWLSCYRCSA-N 1 3 300.446 2.730 20 0 DFADHO CS[C@H](CO)[C@H](C)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357228212 428442302 /nfs/dbraw/zinc/44/23/02/428442302.db2.gz FPRLUPWSEOYUQV-CYGHRXIMSA-N 1 3 322.518 2.599 20 0 DFADHO CS[C@H](CO)[C@H](C)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357228212 428442307 /nfs/dbraw/zinc/44/23/07/428442307.db2.gz FPRLUPWSEOYUQV-CYGHRXIMSA-N 1 3 322.518 2.599 20 0 DFADHO CCOc1cc(CNC[C@@H](C)C[NH3+])ccc1OCC(F)(F)F ZINC000414886439 428446473 /nfs/dbraw/zinc/44/64/73/428446473.db2.gz YEPIGQVWQISJBB-NSHDSACASA-N 1 3 320.355 2.711 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414902349 428452586 /nfs/dbraw/zinc/45/25/86/428452586.db2.gz HFHPHXAURHFPES-CHWSQXEVSA-N 1 3 309.841 2.565 20 0 DFADHO C[C@H]1C[C@@H](NC(=O)CCC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000379664609 428452748 /nfs/dbraw/zinc/45/27/48/428452748.db2.gz PTGUJFCJMHHHIA-RDJZCZTQSA-N 1 3 317.477 2.673 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414902215 428452840 /nfs/dbraw/zinc/45/28/40/428452840.db2.gz GWDDRAPWMQJBNM-KXBFYZLASA-N 1 3 317.477 2.945 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414902215 428452843 /nfs/dbraw/zinc/45/28/43/428452843.db2.gz GWDDRAPWMQJBNM-KXBFYZLASA-N 1 3 317.477 2.945 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@@]2(C)CCCNC2)cc1OC ZINC000414918992 428456121 /nfs/dbraw/zinc/45/61/21/428456121.db2.gz VQYMIGZOORWDPV-KDOFPFPSSA-N 1 3 306.450 2.614 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000414918992 428456126 /nfs/dbraw/zinc/45/61/26/428456126.db2.gz VQYMIGZOORWDPV-KDOFPFPSSA-N 1 3 306.450 2.614 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NC[C@@]2(C)CCC[NH2+]C2)c1C ZINC000414919148 428456159 /nfs/dbraw/zinc/45/61/59/428456159.db2.gz WGYXADVMBZCIPD-KXBFYZLASA-N 1 3 317.477 3.000 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(C)CCCNC2)c1C ZINC000414919148 428456164 /nfs/dbraw/zinc/45/61/64/428456164.db2.gz WGYXADVMBZCIPD-KXBFYZLASA-N 1 3 317.477 3.000 20 0 DFADHO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)CN)o1 ZINC000414923434 428459859 /nfs/dbraw/zinc/45/98/59/428459859.db2.gz FDBUWKNHNPVTIP-CYBMUJFWSA-N 1 3 310.401 2.878 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000414924245 428460075 /nfs/dbraw/zinc/46/00/75/428460075.db2.gz IMPLCBNKHAHOTI-FVQBIDKESA-N 1 3 306.450 2.613 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1NCCc2ccccc21 ZINC000414955488 428470765 /nfs/dbraw/zinc/47/07/65/428470765.db2.gz NDYYNXOJZGHSHH-SUMDDJOVSA-N 1 3 301.478 2.774 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+][C@H]3CCCOCC3)cc2)CC1 ZINC000342810759 428462635 /nfs/dbraw/zinc/46/26/35/428462635.db2.gz BUJCEUBAPWNIOA-KRWDZBQOSA-N 1 3 318.461 2.818 20 0 DFADHO COc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)ccc1OC(F)F ZINC000414936254 428463287 /nfs/dbraw/zinc/46/32/87/428463287.db2.gz ZDXQGRBDNLEDND-NWDGAFQWSA-N 1 3 300.349 2.656 20 0 DFADHO Cc1c([C@@H](C)NCCCC[NH+](C)C)nnn1-c1ccccc1 ZINC000360855724 428464227 /nfs/dbraw/zinc/46/42/27/428464227.db2.gz FXVSWTIWLSXMFG-CQSZACIVSA-N 1 3 301.438 2.568 20 0 DFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)C1CCC(F)(F)CC1 ZINC000353278903 428464654 /nfs/dbraw/zinc/46/46/54/428464654.db2.gz QEYJGXCMOFEXHQ-AWEZNQCLSA-N 1 3 317.468 2.816 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000388063072 428465635 /nfs/dbraw/zinc/46/56/35/428465635.db2.gz MLVKLFOINZDWMO-RDJZCZTQSA-N 1 3 303.450 2.842 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C[C@H]2C)cc1Cl ZINC000414947818 428466223 /nfs/dbraw/zinc/46/62/23/428466223.db2.gz XBYMIGCEJUBFJO-WWGRRREGSA-N 1 3 323.868 2.953 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCNC[C@H]2C)cc1Cl ZINC000414947818 428466225 /nfs/dbraw/zinc/46/62/25/428466225.db2.gz XBYMIGCEJUBFJO-WWGRRREGSA-N 1 3 323.868 2.953 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414951973 428468322 /nfs/dbraw/zinc/46/83/22/428468322.db2.gz QFCQDHIMUPWEPF-XUJVJEKNSA-N 1 3 309.841 2.787 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414951973 428468328 /nfs/dbraw/zinc/46/83/28/428468328.db2.gz QFCQDHIMUPWEPF-XUJVJEKNSA-N 1 3 309.841 2.787 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414948169 428469453 /nfs/dbraw/zinc/46/94/53/428469453.db2.gz XWLAGHSOEUHHKC-ZOWXZIJZSA-N 1 3 309.841 2.645 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414948169 428469458 /nfs/dbraw/zinc/46/94/58/428469458.db2.gz XWLAGHSOEUHHKC-ZOWXZIJZSA-N 1 3 309.841 2.645 20 0 DFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000414799697 428414995 /nfs/dbraw/zinc/41/49/95/428414995.db2.gz KIPWAARHWRMLEL-JJRVBVJISA-N 1 3 319.449 2.519 20 0 DFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414799697 428415001 /nfs/dbraw/zinc/41/50/01/428415001.db2.gz KIPWAARHWRMLEL-JJRVBVJISA-N 1 3 319.449 2.519 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H]2CN)c(C)c1 ZINC000414798474 428416363 /nfs/dbraw/zinc/41/63/63/428416363.db2.gz JGGNCSQPHHJSHV-YQQAZPJKSA-N 1 3 303.450 2.738 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000414798474 428416368 /nfs/dbraw/zinc/41/63/68/428416368.db2.gz JGGNCSQPHHJSHV-YQQAZPJKSA-N 1 3 303.450 2.738 20 0 DFADHO CCCC[C@@H](CN)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414807829 428418263 /nfs/dbraw/zinc/41/82/63/428418263.db2.gz DGLJCDXYJANSIH-IBGZPJMESA-N 1 3 321.484 2.940 20 0 DFADHO CCC(N)(CC)C[NH2+][C@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000414810017 428419175 /nfs/dbraw/zinc/41/91/75/428419175.db2.gz NGRZLKUTVDAJRV-CYBMUJFWSA-N 1 3 307.438 2.519 20 0 DFADHO CSC1(CNCc2c[nH]nc2C(C)(C)C)CC[NH+](C)CC1 ZINC000353183672 428420398 /nfs/dbraw/zinc/42/03/98/428420398.db2.gz HVGJABASRXNLED-UHFFFAOYSA-N 1 3 310.511 2.624 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCCNC2)cc1OC ZINC000414820459 428421341 /nfs/dbraw/zinc/42/13/41/428421341.db2.gz JLXIJKAHCFVVBB-DZKIICNBSA-N 1 3 306.450 2.613 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000414820459 428421345 /nfs/dbraw/zinc/42/13/45/428421345.db2.gz JLXIJKAHCFVVBB-DZKIICNBSA-N 1 3 306.450 2.613 20 0 DFADHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414949002 428469765 /nfs/dbraw/zinc/46/97/65/428469765.db2.gz ZGMXFEWYBXZTQL-RDTXWAMCSA-N 1 3 321.896 2.892 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NC[C@@H]1CCC[NH2+]C1 ZINC000414826819 428423439 /nfs/dbraw/zinc/42/34/39/428423439.db2.gz JREYPKDOFAMBPT-QWHCGFSZSA-N 1 3 309.841 2.646 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCNC1 ZINC000414826819 428423443 /nfs/dbraw/zinc/42/34/43/428423443.db2.gz JREYPKDOFAMBPT-QWHCGFSZSA-N 1 3 309.841 2.646 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000414821644 428424422 /nfs/dbraw/zinc/42/44/22/428424422.db2.gz BGVXIVLVACMYAY-HZPDHXFCSA-N 1 3 303.450 2.610 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCNC2)c(C)c1 ZINC000414821644 428424429 /nfs/dbraw/zinc/42/44/29/428424429.db2.gz BGVXIVLVACMYAY-HZPDHXFCSA-N 1 3 303.450 2.610 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[C@H](C)[NH3+] ZINC000414824127 428424558 /nfs/dbraw/zinc/42/45/58/428424558.db2.gz QAZGGYKUPLHWDT-WDEREUQCSA-N 1 3 317.355 2.749 20 0 DFADHO Cc1cc(Br)c(CNCC[C@H]2CC[NH2+]C2)s1 ZINC000414826536 428424688 /nfs/dbraw/zinc/42/46/88/428424688.db2.gz FPSCYLLHSXUBGN-SNVBAGLBSA-N 1 3 303.269 2.908 20 0 DFADHO Clc1ccccc1CN1CCC([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000414827971 428425119 /nfs/dbraw/zinc/42/51/19/428425119.db2.gz LKPJVVVUSYPDCD-OAHLLOKOSA-N 1 3 321.896 2.894 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@@H](C)Cc1ccc(Br)cc1F ZINC000414831577 428427769 /nfs/dbraw/zinc/42/77/69/428427769.db2.gz DDYCXGOCLUWXOC-MNOVXSKESA-N 1 3 317.246 2.964 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1(N)CCCCC1 ZINC000414836792 428428908 /nfs/dbraw/zinc/42/89/08/428428908.db2.gz GKMGUMAAZQFHBR-ZDUSSCGKSA-N 1 3 307.413 2.794 20 0 DFADHO CCc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000372334178 428429816 /nfs/dbraw/zinc/42/98/16/428429816.db2.gz TVSYOUVXNOUURR-YLJYHZDGSA-N 1 3 315.505 2.707 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000378582832 428433217 /nfs/dbraw/zinc/43/32/17/428433217.db2.gz PKINAIGANWIOEA-LSDHHAIUSA-N 1 3 308.495 2.574 20 0 DFADHO CN1CC=C(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000392201799 428481199 /nfs/dbraw/zinc/48/11/99/428481199.db2.gz JOGUESHMPXDKFH-CVEARBPZSA-N 1 3 323.481 2.531 20 0 DFADHO CCCN(C)CC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000360891911 428481506 /nfs/dbraw/zinc/48/15/06/428481506.db2.gz SZBBCJOUQZEFME-UHFFFAOYSA-N 1 3 311.514 2.689 20 0 DFADHO COCC[N@H+](C)CCCN[C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353317941 428483027 /nfs/dbraw/zinc/48/30/27/428483027.db2.gz ZBNKTSFHCGUXAT-GOSISDBHSA-N 1 3 320.477 2.976 20 0 DFADHO COCC[N@@H+](C)CCCN[C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353317941 428483032 /nfs/dbraw/zinc/48/30/32/428483032.db2.gz ZBNKTSFHCGUXAT-GOSISDBHSA-N 1 3 320.477 2.976 20 0 DFADHO CCCN(Cc1cn(-c2ccncc2)nc1C)C1CC[NH2+]CC1 ZINC000347180653 428485195 /nfs/dbraw/zinc/48/51/95/428485195.db2.gz VGUFREJLBBYGNM-UHFFFAOYSA-N 1 3 313.449 2.540 20 0 DFADHO COc1cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc(Cl)c1OC ZINC000415008645 428488571 /nfs/dbraw/zinc/48/85/71/428488571.db2.gz NCAFOACTHAXPPX-DZGCQCFKSA-N 1 3 324.852 2.835 20 0 DFADHO Clc1cc2c(c(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)c1)OCC2 ZINC000415005728 428488790 /nfs/dbraw/zinc/48/87/90/428488790.db2.gz JMQMKYUDXIPHFY-JKSUJKDBSA-N 1 3 306.837 2.753 20 0 DFADHO c1cnn(-c2cccc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2)c1 ZINC000415037694 428496488 /nfs/dbraw/zinc/49/64/88/428496488.db2.gz HDBHADHTINBRJS-PKOBYXMFSA-N 1 3 310.445 2.836 20 0 DFADHO CC1(c2ccccc2)CCC(NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000415041766 428497840 /nfs/dbraw/zinc/49/78/40/428497840.db2.gz PWEIODGILWQSDK-JLAWEPINSA-N 1 3 302.462 2.855 20 0 DFADHO C[C@@H]1C[N@@H+]([C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)CN ZINC000415057244 428502508 /nfs/dbraw/zinc/50/25/08/428502508.db2.gz PKTLMSKFYZUZEX-LCLWPZTBSA-N 1 3 315.505 2.956 20 0 DFADHO C[C@@H]1C[N@H+]([C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)CN ZINC000415057244 428502514 /nfs/dbraw/zinc/50/25/14/428502514.db2.gz PKTLMSKFYZUZEX-LCLWPZTBSA-N 1 3 315.505 2.956 20 0 DFADHO Cn1nnc2cc(CN[C@H](CCC[NH3+])c3ccccc3)ccc21 ZINC000415054944 428504909 /nfs/dbraw/zinc/50/49/09/428504909.db2.gz ODLQDGLWVSIKSL-MRXNPFEDSA-N 1 3 309.417 2.538 20 0 DFADHO C[C@@H]1C[N@@H+]([C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)CN ZINC000415057249 428505168 /nfs/dbraw/zinc/50/51/68/428505168.db2.gz PKTLMSKFYZUZEX-PIKOESSRSA-N 1 3 315.505 2.956 20 0 DFADHO C[C@@H]1C[N@H+]([C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)CN ZINC000415057249 428505174 /nfs/dbraw/zinc/50/51/74/428505174.db2.gz PKTLMSKFYZUZEX-PIKOESSRSA-N 1 3 315.505 2.956 20 0 DFADHO CC[NH+]1CCC(CCNCc2cn(C)nc2C(F)F)CC1 ZINC000360950449 428506391 /nfs/dbraw/zinc/50/63/91/428506391.db2.gz CPHDVDJZIBDVDD-UHFFFAOYSA-N 1 3 300.397 2.569 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415063178 428507300 /nfs/dbraw/zinc/50/73/00/428507300.db2.gz GZGKOGIJJXDKCO-LRDDRELGSA-N 1 3 307.413 2.650 20 0 DFADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000397349818 428508770 /nfs/dbraw/zinc/50/87/70/428508770.db2.gz HYYPDHZWVYYPMQ-MCIONIFRSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1CN ZINC000397349818 428508775 /nfs/dbraw/zinc/50/87/75/428508775.db2.gz HYYPDHZWVYYPMQ-MCIONIFRSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1CN ZINC000397349818 428508780 /nfs/dbraw/zinc/50/87/80/428508780.db2.gz HYYPDHZWVYYPMQ-MCIONIFRSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCn1cnc2ccccc21 ZINC000415074544 428508803 /nfs/dbraw/zinc/50/88/03/428508803.db2.gz AOCNSZWLFBGBCE-JKSUJKDBSA-N 1 3 300.450 2.937 20 0 DFADHO CC(C)[C@H](N[C@H](C)[C@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000415072866 428509816 /nfs/dbraw/zinc/50/98/16/428509816.db2.gz AFSNEYHBLPBFBD-XUWXXGDYSA-N 1 3 304.434 2.743 20 0 DFADHO COc1ccc(C(C)(C)CN[C@H](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000415074679 428510807 /nfs/dbraw/zinc/51/08/07/428510807.db2.gz DCNIJZWVPGFVIY-ZIAGYGMSSA-N 1 3 306.450 2.569 20 0 DFADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCCc1nccn1Cc1ccccc1 ZINC000415085592 428515302 /nfs/dbraw/zinc/51/53/02/428515302.db2.gz QWGRYOUQSZTCPX-WMZOPIPTSA-N 1 3 312.461 2.594 20 0 DFADHO C[C@H](N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000398026299 428519305 /nfs/dbraw/zinc/51/93/05/428519305.db2.gz MBFOMZVZAUHZIA-DKKFBQAASA-N 1 3 301.478 2.770 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000398052117 428519374 /nfs/dbraw/zinc/51/93/74/428519374.db2.gz GHSNASDCFISWEH-YZGWKJHDSA-N 1 3 315.505 2.971 20 0 DFADHO COc1cc(F)c([C@H](C)NC[C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000415093267 428519509 /nfs/dbraw/zinc/51/95/09/428519509.db2.gz UYZCGKCRIVATJZ-AVGNSLFASA-N 1 3 310.413 2.882 20 0 DFADHO CC(C)C[C@@H]([NH3+])CNC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000415113629 428525224 /nfs/dbraw/zinc/52/52/24/428525224.db2.gz WUWGCDLBYJXTQK-ZNMIVQPWSA-N 1 3 313.486 2.624 20 0 DFADHO COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H](C)[C@H](CN)C2)cc1F ZINC000415120008 428525902 /nfs/dbraw/zinc/52/59/02/428525902.db2.gz FQQDLQKCRMHQTP-SQWLQELKSA-N 1 3 308.441 2.930 20 0 DFADHO COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H](C)[C@H](CN)C2)cc1F ZINC000415120008 428525905 /nfs/dbraw/zinc/52/59/05/428525905.db2.gz FQQDLQKCRMHQTP-SQWLQELKSA-N 1 3 308.441 2.930 20 0 DFADHO COc1ccc(C[C@H](C)CN2CC[C@@H](C)[C@H](C[NH3+])C2)cc1F ZINC000415120008 428525908 /nfs/dbraw/zinc/52/59/08/428525908.db2.gz FQQDLQKCRMHQTP-SQWLQELKSA-N 1 3 308.441 2.930 20 0 DFADHO C[C@@H](Cc1ccccc1Br)[NH2+]C[C@H]1CCCNC1 ZINC000415124847 428528290 /nfs/dbraw/zinc/52/82/90/428528290.db2.gz RRDPOEUNSDDMTP-STQMWFEESA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H](Cc1ccccc1Br)NC[C@H]1CCC[NH2+]C1 ZINC000415124847 428528297 /nfs/dbraw/zinc/52/82/97/428528297.db2.gz RRDPOEUNSDDMTP-STQMWFEESA-N 1 3 311.267 2.969 20 0 DFADHO CC[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)N(CC)CC ZINC000358123527 428584042 /nfs/dbraw/zinc/58/40/42/428584042.db2.gz MVWIQEPVDJLRFK-SOLBZPMBSA-N 1 3 323.525 2.876 20 0 DFADHO CC[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)N(CC)CC ZINC000358123527 428584047 /nfs/dbraw/zinc/58/40/47/428584047.db2.gz MVWIQEPVDJLRFK-SOLBZPMBSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000358179051 428586751 /nfs/dbraw/zinc/58/67/51/428586751.db2.gz QVZBLAZDISFRGS-MMIPBJDJSA-N 1 3 321.509 2.663 20 0 DFADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NC2CCC(C(N)=O)CC2)CC1 ZINC000358179051 428586757 /nfs/dbraw/zinc/58/67/57/428586757.db2.gz QVZBLAZDISFRGS-MMIPBJDJSA-N 1 3 321.509 2.663 20 0 DFADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000358179054 428587686 /nfs/dbraw/zinc/58/76/86/428587686.db2.gz QVZBLAZDISFRGS-USSHROBNSA-N 1 3 321.509 2.663 20 0 DFADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NC2CCC(C(N)=O)CC2)CC1 ZINC000358179054 428587691 /nfs/dbraw/zinc/58/76/91/428587691.db2.gz QVZBLAZDISFRGS-USSHROBNSA-N 1 3 321.509 2.663 20 0 DFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccsc1C ZINC000353545232 428588727 /nfs/dbraw/zinc/58/87/27/428588727.db2.gz CTABYDMMOKVVKL-UHFFFAOYSA-N 1 3 309.523 2.906 20 0 DFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccsc1C ZINC000353545232 428588733 /nfs/dbraw/zinc/58/87/33/428588733.db2.gz CTABYDMMOKVVKL-UHFFFAOYSA-N 1 3 309.523 2.906 20 0 DFADHO [NH3+]CC1(O)CCN(Cc2ccc(-c3ccccc3)s2)CC1 ZINC000415137105 428535085 /nfs/dbraw/zinc/53/50/85/428535085.db2.gz DWWOTUIEXCLQHQ-UHFFFAOYSA-N 1 3 302.443 2.701 20 0 DFADHO Fc1ccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000415140000 428535527 /nfs/dbraw/zinc/53/55/27/428535527.db2.gz MNAHRIVCMFLFII-GDAAHCPNSA-N 1 3 317.452 2.915 20 0 DFADHO FC(F)c1ccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415144961 428536906 /nfs/dbraw/zinc/53/69/06/428536906.db2.gz WDRYDBBWVDCYSU-CVEARBPZSA-N 1 3 322.399 2.825 20 0 DFADHO COCCOc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353451522 428541770 /nfs/dbraw/zinc/54/17/70/428541770.db2.gz AEHZIOKUICFJSP-OTWHNJEPSA-N 1 3 318.461 2.674 20 0 DFADHO COCCOc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353451522 428541774 /nfs/dbraw/zinc/54/17/74/428541774.db2.gz AEHZIOKUICFJSP-OTWHNJEPSA-N 1 3 318.461 2.674 20 0 DFADHO COCCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000353451522 428541780 /nfs/dbraw/zinc/54/17/80/428541780.db2.gz AEHZIOKUICFJSP-OTWHNJEPSA-N 1 3 318.461 2.674 20 0 DFADHO C[C@H](C[NH2+][C@H](C)c1ccccc1-n1ccnn1)CN1CCCC1 ZINC000353456323 428546144 /nfs/dbraw/zinc/54/61/44/428546144.db2.gz VIXWVUUJFQCUMN-HZPDHXFCSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@H](NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400757435 428548590 /nfs/dbraw/zinc/54/85/90/428548590.db2.gz XIIYKCRLCURUST-QXAKKESOSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)C1(c2ccccc2)CCCC1 ZINC000343520201 428553286 /nfs/dbraw/zinc/55/32/86/428553286.db2.gz CXZICGHSFOXGGZ-MJGOQNOKSA-N 1 3 316.489 2.933 20 0 DFADHO C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC000401838021 428557977 /nfs/dbraw/zinc/55/79/77/428557977.db2.gz PLYMDEHWKHAHQP-OWZPZPLSSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000401838021 428557979 /nfs/dbraw/zinc/55/79/79/428557979.db2.gz PLYMDEHWKHAHQP-OWZPZPLSSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC000401838025 428558886 /nfs/dbraw/zinc/55/88/86/428558886.db2.gz PLYMDEHWKHAHQP-WFDLBOFBSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000401838025 428558891 /nfs/dbraw/zinc/55/88/91/428558891.db2.gz PLYMDEHWKHAHQP-WFDLBOFBSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC000401838022 428559485 /nfs/dbraw/zinc/55/94/85/428559485.db2.gz PLYMDEHWKHAHQP-SBXRHNTMSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000401838022 428559489 /nfs/dbraw/zinc/55/94/89/428559489.db2.gz PLYMDEHWKHAHQP-SBXRHNTMSA-N 1 3 300.446 2.949 20 0 DFADHO CCC[C@H](C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C)N(C)C ZINC000357853616 428568696 /nfs/dbraw/zinc/56/86/96/428568696.db2.gz CBYABDOPSWIPTI-NXHRZFHOSA-N 1 3 319.493 2.833 20 0 DFADHO CC(C)n1ncc2c1C[C@H](N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000358018495 428576056 /nfs/dbraw/zinc/57/60/56/428576056.db2.gz AWJMHFUEKGCHGY-BRWVUGGUSA-N 1 3 302.466 2.538 20 0 DFADHO CC(C)n1ncc2c1C[C@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000358018495 428576061 /nfs/dbraw/zinc/57/60/61/428576061.db2.gz AWJMHFUEKGCHGY-BRWVUGGUSA-N 1 3 302.466 2.538 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347531640 428599139 /nfs/dbraw/zinc/59/91/39/428599139.db2.gz OIFPOPJSFGQHIX-OAHLLOKOSA-N 1 3 315.461 2.532 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347531640 428599144 /nfs/dbraw/zinc/59/91/44/428599144.db2.gz OIFPOPJSFGQHIX-OAHLLOKOSA-N 1 3 315.461 2.532 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000361890057 428603599 /nfs/dbraw/zinc/60/35/99/428603599.db2.gz CVJDLETTXUWFLI-HNNXBMFYSA-N 1 3 324.852 2.600 20 0 DFADHO COc1cc(C)nc(CN2CCC(CCC[NH+](C)C)CC2)c1 ZINC000347577821 428609173 /nfs/dbraw/zinc/60/91/73/428609173.db2.gz GWJGEKAFYGDNRH-UHFFFAOYSA-N 1 3 305.466 2.952 20 0 DFADHO CNCc1ccccc1NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000415901412 428620296 /nfs/dbraw/zinc/62/02/96/428620296.db2.gz MYZICYIGEKBHHI-HNNXBMFYSA-N 1 3 318.465 2.650 20 0 DFADHO CNCc1ccccc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000415904911 428622818 /nfs/dbraw/zinc/62/28/18/428622818.db2.gz TUCDHBDEAHQNHM-UHFFFAOYSA-N 1 3 318.465 2.648 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccccc2-n2cccn2)[C@@H]2CCC[C@@H]21 ZINC000353622606 428625317 /nfs/dbraw/zinc/62/53/17/428625317.db2.gz OLUSSWDDFOWAGK-LNLFQRSKSA-N 1 3 310.445 2.835 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccccc2-n2cccn2)[C@@H]2CCC[C@@H]21 ZINC000353622606 428625321 /nfs/dbraw/zinc/62/53/21/428625321.db2.gz OLUSSWDDFOWAGK-LNLFQRSKSA-N 1 3 310.445 2.835 20 0 DFADHO Cn1ccc(CNC2CCC([N@H+](C)Cc3ccccc3)CC2)n1 ZINC000353619741 428625362 /nfs/dbraw/zinc/62/53/62/428625362.db2.gz ILTJGSYCIDVFNQ-UHFFFAOYSA-N 1 3 312.461 2.953 20 0 DFADHO Cn1ccc(CNC2CCC([N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000353619741 428625364 /nfs/dbraw/zinc/62/53/64/428625364.db2.gz ILTJGSYCIDVFNQ-UHFFFAOYSA-N 1 3 312.461 2.953 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccccc2-n2cccn2)[C@H]2CCC[C@H]21 ZINC000353622607 428626337 /nfs/dbraw/zinc/62/63/37/428626337.db2.gz OLUSSWDDFOWAGK-ZIFCJYIRSA-N 1 3 310.445 2.835 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccccc2-n2cccn2)[C@H]2CCC[C@H]21 ZINC000353622607 428626342 /nfs/dbraw/zinc/62/63/42/428626342.db2.gz OLUSSWDDFOWAGK-ZIFCJYIRSA-N 1 3 310.445 2.835 20 0 DFADHO CNCc1ccccc1NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000415922937 428627044 /nfs/dbraw/zinc/62/70/44/428627044.db2.gz OCZZMTOXIGJCSG-UHFFFAOYSA-N 1 3 318.465 2.792 20 0 DFADHO CNCc1ccccc1NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000415922937 428627049 /nfs/dbraw/zinc/62/70/49/428627049.db2.gz OCZZMTOXIGJCSG-UHFFFAOYSA-N 1 3 318.465 2.792 20 0 DFADHO C[NH2+]Cc1cccc(NC(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000415962788 428636877 /nfs/dbraw/zinc/63/68/77/428636877.db2.gz QFSVLLPTOWSYOJ-UHFFFAOYSA-N 1 3 318.465 2.650 20 0 DFADHO CC1CC[NH+](CC2CCN(C[C@H](O)CC(F)(F)F)CC2)CC1 ZINC000373724119 428639660 /nfs/dbraw/zinc/63/96/60/428639660.db2.gz BNLCGRKOXXRUFX-OAHLLOKOSA-N 1 3 322.415 2.744 20 0 DFADHO CC[C@@]1(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CC[NH2+]C1 ZINC000362158192 428642954 /nfs/dbraw/zinc/64/29/54/428642954.db2.gz CXAUARVAYOHDKA-DNVCBOLYSA-N 1 3 317.477 2.622 20 0 DFADHO COc1ccc2c(c1)[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)CC2 ZINC000278579784 274135788 /nfs/dbraw/zinc/13/57/88/274135788.db2.gz PZFBSIINQYHCJC-HNAYVOBHSA-N 1 3 318.461 2.773 20 0 DFADHO COc1ccc2c(c1)[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000278579784 274135790 /nfs/dbraw/zinc/13/57/90/274135790.db2.gz PZFBSIINQYHCJC-HNAYVOBHSA-N 1 3 318.461 2.773 20 0 DFADHO CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000353666186 428646098 /nfs/dbraw/zinc/64/60/98/428646098.db2.gz YNCTXAZUQUNDPX-KMFMINBZSA-N 1 3 323.506 2.765 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000416015629 428648997 /nfs/dbraw/zinc/64/89/97/428648997.db2.gz UBLSUSCXLOANPV-CYBMUJFWSA-N 1 3 304.438 2.532 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000416015629 428649005 /nfs/dbraw/zinc/64/90/05/428649005.db2.gz UBLSUSCXLOANPV-CYBMUJFWSA-N 1 3 304.438 2.532 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000362184361 428652943 /nfs/dbraw/zinc/65/29/43/428652943.db2.gz IGTGUKRAZQTNOG-CRAIPNDOSA-N 1 3 302.462 2.969 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000362184361 428652950 /nfs/dbraw/zinc/65/29/50/428652950.db2.gz IGTGUKRAZQTNOG-CRAIPNDOSA-N 1 3 302.462 2.969 20 0 DFADHO CC[N@H+](CCC1CCN([C@@H](C)C(=O)NC2CC2)CC1)CC(C)C ZINC000358746166 428653729 /nfs/dbraw/zinc/65/37/29/428653729.db2.gz QHDDQYCURAEMNW-INIZCTEOSA-N 1 3 323.525 2.734 20 0 DFADHO CC[N@@H+](CCC1CCN([C@@H](C)C(=O)NC2CC2)CC1)CC(C)C ZINC000358746166 428653732 /nfs/dbraw/zinc/65/37/32/428653732.db2.gz QHDDQYCURAEMNW-INIZCTEOSA-N 1 3 323.525 2.734 20 0 DFADHO C(CCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)CC1CCOCC1 ZINC000374155069 428666107 /nfs/dbraw/zinc/66/61/07/428666107.db2.gz AASQGWCNUYWOPP-QRVBRYPASA-N 1 3 306.494 2.999 20 0 DFADHO C(CCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)CC1CCOCC1 ZINC000374155069 428666113 /nfs/dbraw/zinc/66/61/13/428666113.db2.gz AASQGWCNUYWOPP-QRVBRYPASA-N 1 3 306.494 2.999 20 0 DFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000344505868 428670110 /nfs/dbraw/zinc/67/01/10/428670110.db2.gz BCNSVOJCOCVNPZ-MHORFTMASA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000344505868 428670113 /nfs/dbraw/zinc/67/01/13/428670113.db2.gz BCNSVOJCOCVNPZ-MHORFTMASA-N 1 3 323.525 2.734 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000362252239 428674335 /nfs/dbraw/zinc/67/43/35/428674335.db2.gz WIAPZLNKQFAEHL-JKSUJKDBSA-N 1 3 310.482 2.915 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000362252239 428674340 /nfs/dbraw/zinc/67/43/40/428674340.db2.gz WIAPZLNKQFAEHL-JKSUJKDBSA-N 1 3 310.482 2.915 20 0 DFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000353764409 428704184 /nfs/dbraw/zinc/70/41/84/428704184.db2.gz XYBRFDRVFUMHQM-MSOLQXFVSA-N 1 3 321.509 2.632 20 0 DFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000353764409 428704189 /nfs/dbraw/zinc/70/41/89/428704189.db2.gz XYBRFDRVFUMHQM-MSOLQXFVSA-N 1 3 321.509 2.632 20 0 DFADHO CCC[C@H]1[C@H](C)CCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000362364790 428719010 /nfs/dbraw/zinc/71/90/10/428719010.db2.gz VHFYZVINPFZOCP-QAPCUYQASA-N 1 3 321.509 2.630 20 0 DFADHO CCC[C@H]1[C@H](C)CCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000362364790 428719016 /nfs/dbraw/zinc/71/90/16/428719016.db2.gz VHFYZVINPFZOCP-QAPCUYQASA-N 1 3 321.509 2.630 20 0 DFADHO CCN1CCCC[C@@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416163548 428680825 /nfs/dbraw/zinc/68/08/25/428680825.db2.gz YFPXUXRXKQLWHU-MSOLQXFVSA-N 1 3 317.477 2.670 20 0 DFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416233978 428694813 /nfs/dbraw/zinc/69/48/13/428694813.db2.gz LJFYASYQIVXQMW-SJLPKXTDSA-N 1 3 319.493 2.916 20 0 DFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416233978 428694820 /nfs/dbraw/zinc/69/48/20/428694820.db2.gz LJFYASYQIVXQMW-SJLPKXTDSA-N 1 3 319.493 2.916 20 0 DFADHO CCS[C@H]1CCC[C@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000348476032 428754169 /nfs/dbraw/zinc/75/41/69/428754169.db2.gz FVJYGYYBQIECBN-SJORKVTESA-N 1 3 313.555 2.666 20 0 DFADHO COC(=O)[C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411177547 428754336 /nfs/dbraw/zinc/75/43/36/428754336.db2.gz HOVWZUCBKMEBCD-GOSISDBHSA-N 1 3 316.445 2.667 20 0 DFADHO Cc1nc(CO[C@H]2CC[N@@H+](CC[C@@H]3CCCCN3C)C2)cs1 ZINC000374933079 428788771 /nfs/dbraw/zinc/78/87/71/428788771.db2.gz URBAJZCMBOESJF-IRXDYDNUSA-N 1 3 323.506 2.917 20 0 DFADHO Cc1nc(CO[C@H]2CC[N@H+](CC[C@@H]3CCCCN3C)C2)cs1 ZINC000374933079 428788779 /nfs/dbraw/zinc/78/87/79/428788779.db2.gz URBAJZCMBOESJF-IRXDYDNUSA-N 1 3 323.506 2.917 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@H](O)CC(F)(F)F ZINC000348412119 428736216 /nfs/dbraw/zinc/73/62/16/428736216.db2.gz ZPYYHNNXYXHUPW-MJBXVCDLSA-N 1 3 310.404 2.790 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC000348412119 428736219 /nfs/dbraw/zinc/73/62/19/428736219.db2.gz ZPYYHNNXYXHUPW-MJBXVCDLSA-N 1 3 310.404 2.790 20 0 DFADHO C[C@H]1CN(CC[C@H]2CCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000411117653 428742685 /nfs/dbraw/zinc/74/26/85/428742685.db2.gz LXCNHDSDEFIUQB-PKOBYXMFSA-N 1 3 301.478 2.677 20 0 DFADHO C[C@H]1CN(CC[C@H]2CCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000411117653 428742691 /nfs/dbraw/zinc/74/26/91/428742691.db2.gz LXCNHDSDEFIUQB-PKOBYXMFSA-N 1 3 301.478 2.677 20 0 DFADHO COc1cccc(CNCC2=CC[N@H+](C)CC2)c1OC(C)C ZINC000345189344 428793574 /nfs/dbraw/zinc/79/35/74/428793574.db2.gz RNPNNLKCAUBXDF-UHFFFAOYSA-N 1 3 304.434 2.834 20 0 DFADHO Cc1c[nH+]ccc1NCCCCN1CCN(c2ccccc2)CC1 ZINC000358950927 428744224 /nfs/dbraw/zinc/74/42/24/428744224.db2.gz LCQUQEJBCGVPBK-UHFFFAOYSA-N 1 3 324.472 2.826 20 0 DFADHO COc1cccc(CNCC2=CC[N@@H+](C)CC2)c1OC(C)C ZINC000345189344 428793577 /nfs/dbraw/zinc/79/35/77/428793577.db2.gz RNPNNLKCAUBXDF-UHFFFAOYSA-N 1 3 304.434 2.834 20 0 DFADHO OC[C@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411150286 428749273 /nfs/dbraw/zinc/74/92/73/428749273.db2.gz VVYZTCCAYUJRMJ-IBGZPJMESA-N 1 3 302.462 2.877 20 0 DFADHO OCC1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411165348 428750301 /nfs/dbraw/zinc/75/03/01/428750301.db2.gz JSCLHZPNWJZCAY-UHFFFAOYSA-N 1 3 302.462 2.877 20 0 DFADHO OC1(CCN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000411721216 428846457 /nfs/dbraw/zinc/84/64/57/428846457.db2.gz RRDLLKHYHWAHBK-IBGZPJMESA-N 1 3 314.473 2.890 20 0 DFADHO OC1(CCN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000411721216 428846462 /nfs/dbraw/zinc/84/64/62/428846462.db2.gz RRDLLKHYHWAHBK-IBGZPJMESA-N 1 3 314.473 2.890 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000411743438 428849559 /nfs/dbraw/zinc/84/95/59/428849559.db2.gz IOBGQRKMLCXQAM-KRWDZBQOSA-N 1 3 321.509 2.680 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1)C1CC1 ZINC000353962775 428795521 /nfs/dbraw/zinc/79/55/21/428795521.db2.gz UYFXMPSMFCKGAL-HNNXBMFYSA-N 1 3 317.477 2.741 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCC(C)(C)C ZINC000348639498 428804325 /nfs/dbraw/zinc/80/43/25/428804325.db2.gz YTRJXFXOELEDPK-MRXNPFEDSA-N 1 3 311.514 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCC(C)(C)C ZINC000348639498 428804329 /nfs/dbraw/zinc/80/43/29/428804329.db2.gz YTRJXFXOELEDPK-MRXNPFEDSA-N 1 3 311.514 2.687 20 0 DFADHO CCC[C@@H]([NH2+]CC(=O)NC1CCN(CC)CC1)C1CCCCC1 ZINC000411486734 428805560 /nfs/dbraw/zinc/80/55/60/428805560.db2.gz IDJLDBDDMLDFNJ-GOSISDBHSA-N 1 3 323.525 2.926 20 0 DFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000362894791 428811238 /nfs/dbraw/zinc/81/12/38/428811238.db2.gz RBFFZPXRRIRXBG-MRXNPFEDSA-N 1 3 317.477 2.552 20 0 DFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000362894791 428811242 /nfs/dbraw/zinc/81/12/42/428811242.db2.gz RBFFZPXRRIRXBG-MRXNPFEDSA-N 1 3 317.477 2.552 20 0 DFADHO C[C@H](NCCC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411515682 428811941 /nfs/dbraw/zinc/81/19/41/428811941.db2.gz IGFCAYXGLBPHAQ-LSDHHAIUSA-N 1 3 310.482 2.961 20 0 DFADHO C[C@H](NCCC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411515682 428811945 /nfs/dbraw/zinc/81/19/45/428811945.db2.gz IGFCAYXGLBPHAQ-LSDHHAIUSA-N 1 3 310.482 2.961 20 0 DFADHO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000411515682 428811949 /nfs/dbraw/zinc/81/19/49/428811949.db2.gz IGFCAYXGLBPHAQ-LSDHHAIUSA-N 1 3 310.482 2.961 20 0 DFADHO O[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC12CC2 ZINC000411573622 428819215 /nfs/dbraw/zinc/81/92/15/428819215.db2.gz SLDQIXUQCYFYQW-SFHVURJKSA-N 1 3 300.446 2.629 20 0 DFADHO CC[C@@H]1CCCC[C@H]1N(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411599730 428822401 /nfs/dbraw/zinc/82/24/01/428822401.db2.gz COJQVPOITCRGDG-SJLPKXTDSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@@H]1C[N@H+](Cc2cccc(CN3CCCCC3)c2)C[C@H]1CO ZINC000411618271 428824389 /nfs/dbraw/zinc/82/43/89/428824389.db2.gz IITXHFYPLYFGHV-APWZRJJASA-N 1 3 302.462 2.733 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2cccc(CN3CCCCC3)c2)C[C@H]1CO ZINC000411618271 428824396 /nfs/dbraw/zinc/82/43/96/428824396.db2.gz IITXHFYPLYFGHV-APWZRJJASA-N 1 3 302.462 2.733 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359117266 428825317 /nfs/dbraw/zinc/82/53/17/428825317.db2.gz SFRMQAJNIVDHAN-SXLOBPIMSA-N 1 3 315.505 2.971 20 0 DFADHO CC(=O)N1CCC([NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000359116732 428825645 /nfs/dbraw/zinc/82/56/45/428825645.db2.gz QRWDKFSYUNGOOF-KXBFYZLASA-N 1 3 321.509 2.630 20 0 DFADHO CC(=O)N1CCC(NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000359116732 428825651 /nfs/dbraw/zinc/82/56/51/428825651.db2.gz QRWDKFSYUNGOOF-KXBFYZLASA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000411655144 428834849 /nfs/dbraw/zinc/83/48/49/428834849.db2.gz IRJNUZVFKSSLAE-APWZRJJASA-N 1 3 302.462 2.875 20 0 DFADHO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000411655144 428834855 /nfs/dbraw/zinc/83/48/55/428834855.db2.gz IRJNUZVFKSSLAE-APWZRJJASA-N 1 3 302.462 2.875 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](c1ccc(F)cn1)C(C)C ZINC000354085615 428854905 /nfs/dbraw/zinc/85/49/05/428854905.db2.gz JTJXCXXPOWXDES-RDJZCZTQSA-N 1 3 311.445 2.864 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(OC)cc2)C1 ZINC000354105437 428865908 /nfs/dbraw/zinc/86/59/08/428865908.db2.gz AXACNAHBFQLUQG-GOSISDBHSA-N 1 3 306.450 2.628 20 0 DFADHO C[C@@H]1C[C@H](O)CN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411877063 428876369 /nfs/dbraw/zinc/87/63/69/428876369.db2.gz QFSAQXXRKDBYHR-APWZRJJASA-N 1 3 302.462 2.875 20 0 DFADHO CCC[C@@H](C[N@@H+]1CC[C@H](N2CCNCC2)C1)c1ccccc1 ZINC000348973666 428890774 /nfs/dbraw/zinc/89/07/74/428890774.db2.gz IJHYRTRJGSWERY-OALUTQOASA-N 1 3 301.478 2.550 20 0 DFADHO CCC[C@@H](C[N@H+]1CC[C@H](N2CCNCC2)C1)c1ccccc1 ZINC000348973666 428890780 /nfs/dbraw/zinc/89/07/80/428890780.db2.gz IJHYRTRJGSWERY-OALUTQOASA-N 1 3 301.478 2.550 20 0 DFADHO CCCN1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363315396 428903995 /nfs/dbraw/zinc/90/39/95/428903995.db2.gz UYRPOQAQQYIXGS-QGZVFWFLSA-N 1 3 321.509 2.585 20 0 DFADHO CCCN1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363315396 428904002 /nfs/dbraw/zinc/90/40/02/428904002.db2.gz UYRPOQAQQYIXGS-QGZVFWFLSA-N 1 3 321.509 2.585 20 0 DFADHO CC(C)CCOCC[N@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000363453159 428920400 /nfs/dbraw/zinc/92/04/00/428920400.db2.gz RWLSJNLBCUKGTK-UHFFFAOYSA-N 1 3 312.498 2.624 20 0 DFADHO CC(C)CCOCC[N@@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000363453159 428920405 /nfs/dbraw/zinc/92/04/05/428920405.db2.gz RWLSJNLBCUKGTK-UHFFFAOYSA-N 1 3 312.498 2.624 20 0 DFADHO Cc1nc2ccccn2c1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000349125672 428923581 /nfs/dbraw/zinc/92/35/81/428923581.db2.gz FNPLWFKJHGJIQH-QGZVFWFLSA-N 1 3 312.461 2.806 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000354222010 428924263 /nfs/dbraw/zinc/92/42/63/428924263.db2.gz IGHKKKFCAOQOOX-YOEHRIQHSA-N 1 3 321.440 2.959 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000354222010 428924267 /nfs/dbraw/zinc/92/42/67/428924267.db2.gz IGHKKKFCAOQOOX-YOEHRIQHSA-N 1 3 321.440 2.959 20 0 DFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000359332255 428925609 /nfs/dbraw/zinc/92/56/09/428925609.db2.gz REDHRYVQIQTCDT-FUHWJXTLSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H](C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1 ZINC000375717144 428950212 /nfs/dbraw/zinc/95/02/12/428950212.db2.gz FLCYQZXWTZMUFL-FUHWJXTLSA-N 1 3 301.478 2.548 20 0 DFADHO CCc1cccc(Cl)c1CN(C)CCC[NH+]1CCN(C)CC1 ZINC000349303069 428959491 /nfs/dbraw/zinc/95/94/91/428959491.db2.gz YUGFFAQDJSBNAV-UHFFFAOYSA-N 1 3 323.912 2.972 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@H](O)C(F)(F)F)CC1 ZINC000349336713 428963647 /nfs/dbraw/zinc/96/36/47/428963647.db2.gz XOMJDDRYWZDJAD-SNPRPXQTSA-N 1 3 322.415 2.932 20 0 DFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@H](O)C(F)(F)F)CC1 ZINC000349336713 428963652 /nfs/dbraw/zinc/96/36/52/428963652.db2.gz XOMJDDRYWZDJAD-SNPRPXQTSA-N 1 3 322.415 2.932 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1sccc1C ZINC000349060932 428912014 /nfs/dbraw/zinc/91/20/14/428912014.db2.gz HQNHTBOXQKTNMH-INIZCTEOSA-N 1 3 309.523 2.904 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1sccc1C ZINC000349060932 428912017 /nfs/dbraw/zinc/91/20/17/428912017.db2.gz HQNHTBOXQKTNMH-INIZCTEOSA-N 1 3 309.523 2.904 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000423768691 429015309 /nfs/dbraw/zinc/01/53/09/429015309.db2.gz FOSQBEBWUQWCDM-YQQAZPJKSA-N 1 3 305.466 2.559 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000423768691 429015314 /nfs/dbraw/zinc/01/53/14/429015314.db2.gz FOSQBEBWUQWCDM-YQQAZPJKSA-N 1 3 305.466 2.559 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000355113225 429030724 /nfs/dbraw/zinc/03/07/24/429030724.db2.gz FISVDOLCEUGDEL-DLBZAZTESA-N 1 3 311.514 2.780 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+]Cc3ccc4occc4c3)C2)CC1 ZINC000375789823 428975364 /nfs/dbraw/zinc/97/53/64/428975364.db2.gz VAFNZYBBVGUKDO-QGZVFWFLSA-N 1 3 313.445 2.691 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)N1CCCCC1 ZINC000354632309 429001988 /nfs/dbraw/zinc/00/19/88/429001988.db2.gz LYTHRPVNRUVCSL-KZNAEPCWSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)N1CCCCC1 ZINC000354632309 429001992 /nfs/dbraw/zinc/00/19/92/429001992.db2.gz LYTHRPVNRUVCSL-KZNAEPCWSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000423726739 429004844 /nfs/dbraw/zinc/00/48/44/429004844.db2.gz KGGFXYQYEVIRMW-OAGGEKHMSA-N 1 3 307.482 2.512 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000423768695 429014153 /nfs/dbraw/zinc/01/41/53/429014153.db2.gz FOSQBEBWUQWCDM-ZOBUZTSGSA-N 1 3 305.466 2.559 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000423768695 429014157 /nfs/dbraw/zinc/01/41/57/429014157.db2.gz FOSQBEBWUQWCDM-ZOBUZTSGSA-N 1 3 305.466 2.559 20 0 DFADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423456546 429090418 /nfs/dbraw/zinc/09/04/18/429090418.db2.gz DNGHDFUELXUVJO-UKRRQHHQSA-N 1 3 324.490 2.791 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)[C@H](C)N ZINC000423457157 429091304 /nfs/dbraw/zinc/09/13/04/429091304.db2.gz FNSSKCKTIVSCIH-SXMVTHIZSA-N 1 3 301.203 2.901 20 0 DFADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000433507252 429036302 /nfs/dbraw/zinc/03/63/02/429036302.db2.gz AQMFGSQQSOKQKR-XJKSGUPXSA-N 1 3 323.868 2.548 20 0 DFADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000433507252 429036306 /nfs/dbraw/zinc/03/63/06/429036306.db2.gz AQMFGSQQSOKQKR-XJKSGUPXSA-N 1 3 323.868 2.548 20 0 DFADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000433507249 429036557 /nfs/dbraw/zinc/03/65/57/429036557.db2.gz AQMFGSQQSOKQKR-CJNGLKHVSA-N 1 3 323.868 2.548 20 0 DFADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000433507249 429036563 /nfs/dbraw/zinc/03/65/63/429036563.db2.gz AQMFGSQQSOKQKR-CJNGLKHVSA-N 1 3 323.868 2.548 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000355407921 429044414 /nfs/dbraw/zinc/04/44/14/429044414.db2.gz DCLWNHYKLSYKOK-IYBDPMFKSA-N 1 3 309.498 2.582 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000355407921 429044417 /nfs/dbraw/zinc/04/44/17/429044417.db2.gz DCLWNHYKLSYKOK-IYBDPMFKSA-N 1 3 309.498 2.582 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)CC1 ZINC000452054558 429044836 /nfs/dbraw/zinc/04/48/36/429044836.db2.gz RQFVKTHESFUWBD-IYWMVGAKSA-N 1 3 319.537 2.771 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)CC1 ZINC000452054558 429044840 /nfs/dbraw/zinc/04/48/40/429044840.db2.gz RQFVKTHESFUWBD-IYWMVGAKSA-N 1 3 319.537 2.771 20 0 DFADHO CCC(N)(CC)C[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000423289104 429057508 /nfs/dbraw/zinc/05/75/08/429057508.db2.gz WFCYTVOEEZLZID-HNNXBMFYSA-N 1 3 305.466 2.691 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000423289969 429057713 /nfs/dbraw/zinc/05/77/13/429057713.db2.gz YTOHVULIHOMTOL-ZDUSSCGKSA-N 1 3 306.454 2.948 20 0 DFADHO CCCC[C@H](CN)[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000423303157 429059676 /nfs/dbraw/zinc/05/96/76/429059676.db2.gz WQRTWWINDNUKAG-IUODEOHRSA-N 1 3 307.438 2.822 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423325527 429064889 /nfs/dbraw/zinc/06/48/89/429064889.db2.gz QBZAGFLEDZEICC-SUMWQHHRSA-N 1 3 318.465 2.948 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2C[C@H](C)CCN2)c1 ZINC000423327928 429065179 /nfs/dbraw/zinc/06/51/79/429065179.db2.gz NJAWNRKCFMBGDB-CRAIPNDOSA-N 1 3 317.477 2.533 20 0 DFADHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423324633 429066221 /nfs/dbraw/zinc/06/62/21/429066221.db2.gz KTAGOLHBHUIZFE-LBPRGKRZSA-N 1 3 302.422 2.503 20 0 DFADHO C[C@H]1[C@@H](NCC[C@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000423355332 429072838 /nfs/dbraw/zinc/07/28/38/429072838.db2.gz IAZLEAXBXYLEQV-UHOSZYNNSA-N 1 3 301.478 2.771 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)N[C@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000423359469 429072998 /nfs/dbraw/zinc/07/29/98/429072998.db2.gz KOJHAUTUDNXDAI-NYTXWWLZSA-N 1 3 306.450 2.783 20 0 DFADHO CCCC[N@H+](C)CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423372169 429073360 /nfs/dbraw/zinc/07/33/60/429073360.db2.gz GVVUETDYWNLLNQ-INIZCTEOSA-N 1 3 305.466 2.561 20 0 DFADHO CCCC[N@@H+](C)CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423372169 429073364 /nfs/dbraw/zinc/07/33/64/429073364.db2.gz GVVUETDYWNLLNQ-INIZCTEOSA-N 1 3 305.466 2.561 20 0 DFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H](C)CCN2)c1 ZINC000423370829 429074173 /nfs/dbraw/zinc/07/41/73/429074173.db2.gz UQIATCZPQCPPMU-YJBOKZPZSA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H](C)CCN2)c1 ZINC000423370829 429074176 /nfs/dbraw/zinc/07/41/76/429074176.db2.gz UQIATCZPQCPPMU-YJBOKZPZSA-N 1 3 317.477 2.531 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)c(C)c1OC ZINC000423374123 429076584 /nfs/dbraw/zinc/07/65/84/429076584.db2.gz HUHFQYBSPQATMD-WWGRRREGSA-N 1 3 306.450 2.673 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)c(C)c1OC ZINC000423374123 429076587 /nfs/dbraw/zinc/07/65/87/429076587.db2.gz HUHFQYBSPQATMD-WWGRRREGSA-N 1 3 306.450 2.673 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423383174 429076930 /nfs/dbraw/zinc/07/69/30/429076930.db2.gz GXPXLNBIJXPRQF-IRXDYDNUSA-N 1 3 317.477 2.655 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423383174 429076932 /nfs/dbraw/zinc/07/69/32/429076932.db2.gz GXPXLNBIJXPRQF-IRXDYDNUSA-N 1 3 317.477 2.655 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@@H](NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000423380197 429077320 /nfs/dbraw/zinc/07/73/20/429077320.db2.gz HARKEFAYVSDYQY-INMHGKMJSA-N 1 3 304.482 2.814 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)cc1OC ZINC000423389982 429078313 /nfs/dbraw/zinc/07/83/13/429078313.db2.gz VLVPFXBSBDRZNA-NYTXWWLZSA-N 1 3 306.450 2.926 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000423389982 429078318 /nfs/dbraw/zinc/07/83/18/429078318.db2.gz VLVPFXBSBDRZNA-NYTXWWLZSA-N 1 3 306.450 2.926 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCN[C@H](C)C2)c2ccccc21 ZINC000423391989 429079663 /nfs/dbraw/zinc/07/96/63/429079663.db2.gz XGBNAOGMIXEFOT-NONVJHHQSA-N 1 3 316.445 2.898 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000423397466 429079673 /nfs/dbraw/zinc/07/96/73/429079673.db2.gz SXHXEBNFHGSGPO-NUEKZKHPSA-N 1 3 301.434 2.734 20 0 DFADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000424038116 429081186 /nfs/dbraw/zinc/08/11/86/429081186.db2.gz HXCANGASPZXSAC-DLBZAZTESA-N 1 3 321.509 2.521 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423408085 429081435 /nfs/dbraw/zinc/08/14/35/429081435.db2.gz WVJIKNMSKRKSMY-IIYDPXPESA-N 1 3 316.449 2.619 20 0 DFADHO COC[C@]1(C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CCCN1 ZINC000423413262 429082752 /nfs/dbraw/zinc/08/27/52/429082752.db2.gz JZNMECJBENNRAN-ZIFCJYIRSA-N 1 3 302.462 2.927 20 0 DFADHO COCC1(CN[C@@H](C)c2nc3c(s2)CCCC3)CC[NH2+]CC1 ZINC000423413731 429083669 /nfs/dbraw/zinc/08/36/69/429083669.db2.gz ZWRHXOJCAJGVFX-ZDUSSCGKSA-N 1 3 323.506 2.689 20 0 DFADHO N[C@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)c1ccccc1 ZINC000424073070 429087211 /nfs/dbraw/zinc/08/72/11/429087211.db2.gz DZQVMXYIPPPDPM-QZTJIDSGSA-N 1 3 317.477 2.881 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424181393 429107333 /nfs/dbraw/zinc/10/73/33/429107333.db2.gz RBXUDRPQBXXANG-BPQIPLTHSA-N 1 3 323.525 2.863 20 0 DFADHO Cc1ccccc1[C@H](NC[C@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000423524166 429109616 /nfs/dbraw/zinc/10/96/16/429109616.db2.gz SPMGSZICIALQPT-IEBWSBKVSA-N 1 3 301.478 2.720 20 0 DFADHO C[NH+](C)CCC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435135458 429125658 /nfs/dbraw/zinc/12/56/58/429125658.db2.gz QAYURQNDMAWUEW-UHFFFAOYSA-N 1 3 302.422 2.833 20 0 DFADHO COC(=O)CC1CC(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000424324684 429126852 /nfs/dbraw/zinc/12/68/52/429126852.db2.gz XAGXONUAFPNTQG-ABHNRTSZSA-N 1 3 322.493 2.962 20 0 DFADHO COC(=O)CC1CC(NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000424324684 429126855 /nfs/dbraw/zinc/12/68/55/429126855.db2.gz XAGXONUAFPNTQG-ABHNRTSZSA-N 1 3 322.493 2.962 20 0 DFADHO N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000424334196 429128031 /nfs/dbraw/zinc/12/80/31/429128031.db2.gz NFNJNHQXNRVDAF-CHWSQXEVSA-N 1 3 302.340 2.944 20 0 DFADHO CCC[C@H](C)NC(=O)[C@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000435331566 429132071 /nfs/dbraw/zinc/13/20/71/429132071.db2.gz IBXAKPCTYVYYJK-OKZBNKHCSA-N 1 3 323.525 2.878 20 0 DFADHO CCC[C@H](C)NC(=O)[C@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000435331566 429132073 /nfs/dbraw/zinc/13/20/73/429132073.db2.gz IBXAKPCTYVYYJK-OKZBNKHCSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@H]1CC2(CN1Cc1nccn1-c1ccccc1)CC[NH2+]CC2 ZINC000424386967 429132751 /nfs/dbraw/zinc/13/27/51/429132751.db2.gz XVRAQLIDXISWKG-INIZCTEOSA-N 1 3 310.445 2.836 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363918573 429139500 /nfs/dbraw/zinc/13/95/00/429139500.db2.gz CZJIQDQEQHCVKD-XYPHTWIQSA-N 1 3 319.424 2.759 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363918573 429139507 /nfs/dbraw/zinc/13/95/07/429139507.db2.gz CZJIQDQEQHCVKD-XYPHTWIQSA-N 1 3 319.424 2.759 20 0 DFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000494889139 429161334 /nfs/dbraw/zinc/16/13/34/429161334.db2.gz JTNYENJDFVYVIX-FUHIMQAGSA-N 1 3 315.505 2.958 20 0 DFADHO CN(CCN1CCC2(CCC[N@@H+]2C)CC1)Cc1ccc(F)cc1 ZINC000364367648 429191000 /nfs/dbraw/zinc/19/10/00/429191000.db2.gz YFJHFWWCLZUSRI-UHFFFAOYSA-N 1 3 319.468 2.818 20 0 DFADHO CN(CCN1CCC2(CCC[N@H+]2C)CC1)Cc1ccc(F)cc1 ZINC000364367648 429191004 /nfs/dbraw/zinc/19/10/04/429191004.db2.gz YFJHFWWCLZUSRI-UHFFFAOYSA-N 1 3 319.468 2.818 20 0 DFADHO CC(C)(C)OC(=O)CCCCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000364653346 429241917 /nfs/dbraw/zinc/24/19/17/429241917.db2.gz DWQSAPNQJUUPNB-ZACQAIPSSA-N 1 3 322.493 2.915 20 0 DFADHO CC(C)(C)OC(=O)CCCCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000364653346 429241919 /nfs/dbraw/zinc/24/19/19/429241919.db2.gz DWQSAPNQJUUPNB-ZACQAIPSSA-N 1 3 322.493 2.915 20 0 DFADHO CC(C)C[C@@H](CN1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000489991506 429272512 /nfs/dbraw/zinc/27/25/12/429272512.db2.gz UGVJYMNIBSVVBU-PMACEKPBSA-N 1 3 315.505 2.796 20 0 DFADHO CS[C@H]1CC[C@H]1[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000425361598 429278893 /nfs/dbraw/zinc/27/88/93/429278893.db2.gz UJMUIYJIRVGGHS-SJORKVTESA-N 1 3 308.491 2.653 20 0 DFADHO Cc1cnn(CCCCCN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365535754 429336870 /nfs/dbraw/zinc/33/68/70/429336870.db2.gz IFCQRCPFSWOYTA-QRVBRYPASA-N 1 3 316.493 2.778 20 0 DFADHO Cc1cnn(CCCCCN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365535754 429336874 /nfs/dbraw/zinc/33/68/74/429336874.db2.gz IFCQRCPFSWOYTA-QRVBRYPASA-N 1 3 316.493 2.778 20 0 DFADHO OC[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCCN1CCCCC1 ZINC000365267200 429291436 /nfs/dbraw/zinc/29/14/36/429291436.db2.gz NMWJYEPLEIIHJE-PKOBYXMFSA-N 1 3 302.462 2.748 20 0 DFADHO C[C@@H](NC[C@@H](O)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425435242 429296431 /nfs/dbraw/zinc/29/64/31/429296431.db2.gz RULDFLQLFMDPOL-KPFFTGBYSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@@H](NC[C@@H](O)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000425435242 429296438 /nfs/dbraw/zinc/29/64/38/429296438.db2.gz RULDFLQLFMDPOL-KPFFTGBYSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000425435242 429296441 /nfs/dbraw/zinc/29/64/41/429296441.db2.gz RULDFLQLFMDPOL-KPFFTGBYSA-N 1 3 316.489 2.833 20 0 DFADHO Cc1nsc(C)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000517667479 429391504 /nfs/dbraw/zinc/39/15/04/429391504.db2.gz PTULQEMZVUMZLH-UHFFFAOYSA-N 1 3 323.506 2.837 20 0 DFADHO C[C@H]([NH2+]CC1=CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000449405439 429405396 /nfs/dbraw/zinc/40/53/96/429405396.db2.gz YMPRRBMTWLQGCC-LPHOPBHVSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@H](NCC1=CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449405439 429405403 /nfs/dbraw/zinc/40/54/03/429405403.db2.gz YMPRRBMTWLQGCC-LPHOPBHVSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@H](NCC1=CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449405439 429405406 /nfs/dbraw/zinc/40/54/06/429405406.db2.gz YMPRRBMTWLQGCC-LPHOPBHVSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCO[C@H]2C)CC1 ZINC000449214901 429360455 /nfs/dbraw/zinc/36/04/55/429360455.db2.gz MPQPMENCLDXKDK-TXPKVOOTSA-N 1 3 302.462 2.849 20 0 DFADHO CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CCC1 ZINC000449236041 429363455 /nfs/dbraw/zinc/36/34/55/429363455.db2.gz WMAYLBRQAHZXBT-MOPGFXCFSA-N 1 3 302.462 2.922 20 0 DFADHO CCN(CCN[C@@H]1CC[N@H+](CC)C[C@@H]1C)CCC(F)(F)F ZINC000426079367 429364195 /nfs/dbraw/zinc/36/41/95/429364195.db2.gz PEWKBNCQEIEDPA-UONOGXRCSA-N 1 3 309.420 2.581 20 0 DFADHO CCN(CCN[C@@H]1CC[N@@H+](CC)C[C@@H]1C)CCC(F)(F)F ZINC000426079367 429364200 /nfs/dbraw/zinc/36/42/00/429364200.db2.gz PEWKBNCQEIEDPA-UONOGXRCSA-N 1 3 309.420 2.581 20 0 DFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCn2ccnn2)CC1 ZINC000449240313 429365323 /nfs/dbraw/zinc/36/53/23/429365323.db2.gz NCFAIWYQDZVQNT-UHFFFAOYSA-N 1 3 321.513 2.937 20 0 DFADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCN2CC=CCC2)CC1 ZINC000366251036 429440182 /nfs/dbraw/zinc/44/01/82/429440182.db2.gz UTTVZMJQRZLCJB-PKOBYXMFSA-N 1 3 305.510 2.881 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366259235 429442721 /nfs/dbraw/zinc/44/27/21/429442721.db2.gz NCZXLYZLPXPVDN-XYPHTWIQSA-N 1 3 319.424 2.759 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000366259235 429442725 /nfs/dbraw/zinc/44/27/25/429442725.db2.gz NCZXLYZLPXPVDN-XYPHTWIQSA-N 1 3 319.424 2.759 20 0 DFADHO COc1cc(C)c(C[C@H](C)NCCC[NH2+]C(C)C)cc1OC ZINC000519138305 429449005 /nfs/dbraw/zinc/44/90/05/429449005.db2.gz SFWFCLWSEIVNMA-HNNXBMFYSA-N 1 3 308.466 2.921 20 0 DFADHO OCC1(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000449580192 429454118 /nfs/dbraw/zinc/45/41/18/429454118.db2.gz NVOMDNPSLKPMAP-GBESFXJTSA-N 1 3 314.473 2.649 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000449642869 429468348 /nfs/dbraw/zinc/46/83/48/429468348.db2.gz HFTJPJXKFOHFDX-QAPCUYQASA-N 1 3 315.461 2.530 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC[C@](C)(O)C(F)(F)F)C1 ZINC000518757544 429431337 /nfs/dbraw/zinc/43/13/37/429431337.db2.gz DWASMGFZJOGLKN-MJBXVCDLSA-N 1 3 310.404 2.647 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC[C@](C)(O)C(F)(F)F)C1 ZINC000518757544 429431344 /nfs/dbraw/zinc/43/13/44/429431344.db2.gz DWASMGFZJOGLKN-MJBXVCDLSA-N 1 3 310.404 2.647 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC[C@@](C)(O)C(F)(F)F)C1 ZINC000518757542 429432753 /nfs/dbraw/zinc/43/27/53/429432753.db2.gz DWASMGFZJOGLKN-MGPQQGTHSA-N 1 3 310.404 2.647 20 0 DFADHO COc1ccc(C[C@H](C)CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000427119742 429434198 /nfs/dbraw/zinc/43/41/98/429434198.db2.gz MFWSPELGOHPDNN-QRTARXTBSA-N 1 3 306.425 2.697 20 0 DFADHO OC[C@@]1(CNC2CC[NH+](CC3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000519733883 429483662 /nfs/dbraw/zinc/48/36/62/429483662.db2.gz MPDPZVURZVWQTF-UXHICEINSA-N 1 3 314.473 2.617 20 0 DFADHO CN1CC=C(C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000366692766 429496092 /nfs/dbraw/zinc/49/60/92/429496092.db2.gz DYQWFHCYQIQMSS-LJQANCHMSA-N 1 3 313.489 2.891 20 0 DFADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000449828470 429519063 /nfs/dbraw/zinc/51/90/63/429519063.db2.gz XEPQMDBIGLKZEK-RDJZCZTQSA-N 1 3 309.498 2.630 20 0 DFADHO CC[C@H](CC(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000449821699 429519230 /nfs/dbraw/zinc/51/92/30/429519230.db2.gz SDTUBSQQVFDPFB-MRXNPFEDSA-N 1 3 323.525 2.734 20 0 DFADHO C[NH+]1CCC(CCNC(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000449837958 429521547 /nfs/dbraw/zinc/52/15/47/429521547.db2.gz YNNUFBXIMYUMAT-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)CN(C)C ZINC000521624740 429559126 /nfs/dbraw/zinc/55/91/26/429559126.db2.gz IVZOEVWHIRPRMS-MJGOQNOKSA-N 1 3 315.505 2.971 20 0 DFADHO CCC[NH+]1CCC(N(C)C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450471602 429636298 /nfs/dbraw/zinc/63/62/98/429636298.db2.gz WIRGCNQSBLCVQF-APWZRJJASA-N 1 3 304.478 2.957 20 0 DFADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000429339815 429601727 /nfs/dbraw/zinc/60/17/27/429601727.db2.gz RWIVCLUNZGKFSN-DLBZAZTESA-N 1 3 301.434 2.569 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450340143 429604706 /nfs/dbraw/zinc/60/47/06/429604706.db2.gz UPOBZVYIJRXJLB-LPHOPBHVSA-N 1 3 304.478 2.956 20 0 DFADHO CC(C)[NH+]1CCC(NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000429432749 429607447 /nfs/dbraw/zinc/60/74/47/429607447.db2.gz VGHLTODIGPYZMR-RTBURBONSA-N 1 3 320.452 2.754 20 0 DFADHO CC(C)[C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)N(C)C ZINC000364188685 275978135 /nfs/dbraw/zinc/97/81/35/275978135.db2.gz GBCZPTRFLUULGZ-SFHVURJKSA-N 1 3 323.525 2.734 20 0 DFADHO CCC[NH+]1CCC(NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000429422555 429608166 /nfs/dbraw/zinc/60/81/66/429608166.db2.gz ZSNWMWMYHBJVQQ-RBUKOAKNSA-N 1 3 320.452 2.756 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000164591297 276020219 /nfs/dbraw/zinc/02/02/19/276020219.db2.gz NKZGIWHXJWDMQS-YJBOKZPZSA-N 1 3 317.477 2.661 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000164591297 276020221 /nfs/dbraw/zinc/02/02/21/276020221.db2.gz NKZGIWHXJWDMQS-YJBOKZPZSA-N 1 3 317.477 2.661 20 0 DFADHO CC[N@H+](C)C[C@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000271257887 276075122 /nfs/dbraw/zinc/07/51/22/276075122.db2.gz HNKQEPZMTJAWNK-RTBURBONSA-N 1 3 301.478 2.535 20 0 DFADHO CC[N@@H+](C)C[C@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000271257887 276075124 /nfs/dbraw/zinc/07/51/24/276075124.db2.gz HNKQEPZMTJAWNK-RTBURBONSA-N 1 3 301.478 2.535 20 0 DFADHO CN(CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000367599897 429683234 /nfs/dbraw/zinc/68/32/34/429683234.db2.gz IMXYIPUWYUGUAZ-GUDVDZBRSA-N 1 3 301.478 2.581 20 0 DFADHO CN(CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000367599897 429683239 /nfs/dbraw/zinc/68/32/39/429683239.db2.gz IMXYIPUWYUGUAZ-GUDVDZBRSA-N 1 3 301.478 2.581 20 0 DFADHO CN(CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000367599897 429683244 /nfs/dbraw/zinc/68/32/44/429683244.db2.gz IMXYIPUWYUGUAZ-GUDVDZBRSA-N 1 3 301.478 2.581 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430552742 429690355 /nfs/dbraw/zinc/69/03/55/429690355.db2.gz KOEGACFXGPYZCM-KGLIPLIRSA-N 1 3 307.413 2.522 20 0 DFADHO C[C@@H]1CCC[C@H](C[N@H+](C)[C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000367673244 429698399 /nfs/dbraw/zinc/69/83/99/429698399.db2.gz RCZJALWQPSWVSF-AOIWGVFYSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCC[C@H](C[N@@H+](C)[C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000367673244 429698402 /nfs/dbraw/zinc/69/84/02/429698402.db2.gz RCZJALWQPSWVSF-AOIWGVFYSA-N 1 3 307.526 2.913 20 0 DFADHO Cc1cc(C)n(-c2ccc(CN(C)CC(C)(C)C[NH3+])cc2)n1 ZINC000430562194 429692377 /nfs/dbraw/zinc/69/23/77/429692377.db2.gz CUSFJDVBJHDKGE-UHFFFAOYSA-N 1 3 300.450 2.906 20 0 DFADHO Cc1cc(C)n(-c2ccc(C[N@@H+](C)CC(C)(C)CN)cc2)n1 ZINC000430562194 429692380 /nfs/dbraw/zinc/69/23/80/429692380.db2.gz CUSFJDVBJHDKGE-UHFFFAOYSA-N 1 3 300.450 2.906 20 0 DFADHO Cc1cc(C)n(-c2ccc(C[N@H+](C)CC(C)(C)CN)cc2)n1 ZINC000430562194 429692385 /nfs/dbraw/zinc/69/23/85/429692385.db2.gz CUSFJDVBJHDKGE-UHFFFAOYSA-N 1 3 300.450 2.906 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCCN(CCCc2nc(-c3ccccc3)no2)C1 ZINC000430583785 429696995 /nfs/dbraw/zinc/69/69/95/429696995.db2.gz TUJBPACJEXHYON-ZBFHGGJFSA-N 1 3 314.433 2.728 20 0 DFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000354266422 276365649 /nfs/dbraw/zinc/36/56/49/276365649.db2.gz NMDURNVAMONPIO-ROUUACIJSA-N 1 3 317.477 2.588 20 0 DFADHO CCCN(C(=O)C[C@H](C)[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000430689796 429709736 /nfs/dbraw/zinc/70/97/36/429709736.db2.gz BEBJGXPVAUEPAI-FUHWJXTLSA-N 1 3 317.477 2.627 20 0 DFADHO C[NH+](C)CCOCCNCc1cnc(C2CCCCC2)s1 ZINC000527065247 429720943 /nfs/dbraw/zinc/72/09/43/429720943.db2.gz CUCGUGJYULIEDQ-UHFFFAOYSA-N 1 3 311.495 2.859 20 0 DFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC([C@@H](C)[NH3+])CC1 ZINC000430952095 429729877 /nfs/dbraw/zinc/72/98/77/429729877.db2.gz XTISBFDCEULKHR-QAPCUYQASA-N 1 3 317.477 2.655 20 0 DFADHO CN1CCC([NH2+][C@@H]2C[C@@H](C3CC3)N(Cc3ccccc3)C2)CC1 ZINC000367893975 429738943 /nfs/dbraw/zinc/73/89/43/429738943.db2.gz AOKUDSYQTSXWOR-UXHICEINSA-N 1 3 313.489 2.723 20 0 DFADHO CN1CCC(CC(=O)N2CCC[C@H]2C[NH+]2CCCCCC2)CC1 ZINC000368159331 429799986 /nfs/dbraw/zinc/79/99/86/429799986.db2.gz FIYCBSLQLAXVCS-SFHVURJKSA-N 1 3 321.509 2.585 20 0 DFADHO CC(C)C[C@@]1(C)CCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000451293981 429805265 /nfs/dbraw/zinc/80/52/65/429805265.db2.gz XFDMZMYRONMMQC-LJQANCHMSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)C[C@@]1(C)CCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000451293981 429805266 /nfs/dbraw/zinc/80/52/66/429805266.db2.gz XFDMZMYRONMMQC-LJQANCHMSA-N 1 3 321.509 2.630 20 0 DFADHO Cn1cccc1C[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000367958643 429751062 /nfs/dbraw/zinc/75/10/62/429751062.db2.gz FBVVSOLMXAXDBJ-RTBURBONSA-N 1 3 309.457 2.979 20 0 DFADHO Cn1cccc1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000367958643 429751065 /nfs/dbraw/zinc/75/10/65/429751065.db2.gz FBVVSOLMXAXDBJ-RTBURBONSA-N 1 3 309.457 2.979 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]C/C=C\c2ccncc2)C[C@@H](C)O1 ZINC000486940917 429755895 /nfs/dbraw/zinc/75/58/95/429755895.db2.gz QIIJCPKITOJCJR-MBZYTVFJSA-N 1 3 303.450 2.574 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CC1(C)C ZINC000486972867 429757914 /nfs/dbraw/zinc/75/79/14/429757914.db2.gz TYAQPTRHIKCHLA-APWZRJJASA-N 1 3 315.505 2.958 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c2ccccc21 ZINC000368005424 429764509 /nfs/dbraw/zinc/76/45/09/429764509.db2.gz IPEMOPGYQGWVNO-QINHECLXSA-N 1 3 313.489 2.993 20 0 DFADHO C[C@@H](CNC(=O)C[C@@H](c1ccccc1)N(C)C)C[NH+]1CCCC1 ZINC000431724896 429778910 /nfs/dbraw/zinc/77/89/10/429778910.db2.gz XGIHTAIIPMTDGJ-WMZOPIPTSA-N 1 3 317.477 2.528 20 0 DFADHO c1nc2c([nH]1)CC[C@@H]([NH2+]C1CCN(CCc3ccccc3)CC1)C2 ZINC000368103005 429788386 /nfs/dbraw/zinc/78/83/86/429788386.db2.gz RIYWXCMNQXJBHR-GOSISDBHSA-N 1 3 324.472 2.564 20 0 DFADHO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000431906939 429789995 /nfs/dbraw/zinc/78/99/95/429789995.db2.gz KEKQEKPYGZJAPP-WBVHZDCISA-N 1 3 309.498 2.630 20 0 DFADHO CCc1nn(C)c(Cl)c1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000368135996 429794942 /nfs/dbraw/zinc/79/49/42/429794942.db2.gz SIDVHWYXMJUFBZ-CQSZACIVSA-N 1 3 324.900 2.800 20 0 DFADHO CN1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000527952038 429827311 /nfs/dbraw/zinc/82/73/11/429827311.db2.gz SRXFDEVIUNSMJU-CADBVGFASA-N 1 3 305.510 2.856 20 0 DFADHO Cn1cc2ccc(C[NH2+]C3CCN(C(C)(C)C)CC3)cc2n1 ZINC000527966157 429827984 /nfs/dbraw/zinc/82/79/84/429827984.db2.gz UGNMMEUVQDCBNA-UHFFFAOYSA-N 1 3 300.450 2.926 20 0 DFADHO c1ccc(COC2CC(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000493888958 429847285 /nfs/dbraw/zinc/84/72/85/429847285.db2.gz QTOREDBQUQSQIC-CSODTCANSA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(COC2CC(N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000493888958 429847287 /nfs/dbraw/zinc/84/72/87/429847287.db2.gz QTOREDBQUQSQIC-CSODTCANSA-N 1 3 300.446 2.951 20 0 DFADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)N1CCCC[C@@H]1C ZINC000494306299 429866415 /nfs/dbraw/zinc/86/64/15/429866415.db2.gz CZDNFIKWZJAPBP-DLBZAZTESA-N 1 3 323.525 2.878 20 0 DFADHO Fc1cccc(CN2CCC([NH2+]CCCN3CCCC3)CC2)c1 ZINC000368564265 429868000 /nfs/dbraw/zinc/86/80/00/429868000.db2.gz QEWHBDMJMVNILU-UHFFFAOYSA-N 1 3 319.468 2.866 20 0 DFADHO C[N@@H+]1CC[C@H](CNCc2c[nH]c3nccnc23)[C@@H]1c1ccccc1 ZINC000368229058 429813032 /nfs/dbraw/zinc/81/30/32/429813032.db2.gz SOWNCOIQQPYMAT-QAPCUYQASA-N 1 3 321.428 2.692 20 0 DFADHO C[N@H+]1CC[C@H](CNCc2c[nH]c3nccnc23)[C@@H]1c1ccccc1 ZINC000368229058 429813034 /nfs/dbraw/zinc/81/30/34/429813034.db2.gz SOWNCOIQQPYMAT-QAPCUYQASA-N 1 3 321.428 2.692 20 0 DFADHO CN(C(=[NH2+])NC[C@]1(C)CCN(Cc2ccccc2)C1)C1CC1 ZINC000369054703 429909337 /nfs/dbraw/zinc/90/93/37/429909337.db2.gz MMMNXOYJNRXNMA-SFHVURJKSA-N 1 3 300.450 2.517 20 0 DFADHO CCc1nn(C)c(CC)c1CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000369201701 429919159 /nfs/dbraw/zinc/91/91/59/429919159.db2.gz BNHVKQLUAVYCMA-UHFFFAOYSA-N 1 3 318.509 2.853 20 0 DFADHO C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000369278304 429922199 /nfs/dbraw/zinc/92/21/99/429922199.db2.gz QFWZBEZDQSFKPM-IIDMSEBBSA-N 1 3 317.477 2.661 20 0 DFADHO O[C@@H](C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000369295294 429922611 /nfs/dbraw/zinc/92/26/11/429922611.db2.gz VMQQARKAHFPKGH-HBMCJLEFSA-N 1 3 322.452 2.784 20 0 DFADHO O[C@@H](C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000369295294 429922612 /nfs/dbraw/zinc/92/26/12/429922612.db2.gz VMQQARKAHFPKGH-HBMCJLEFSA-N 1 3 322.452 2.784 20 0 DFADHO CC(C)CC[C@H](O)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000573476590 429957235 /nfs/dbraw/zinc/95/72/35/429957235.db2.gz UTVZSIKZFDZQKC-UXHICEINSA-N 1 3 318.505 2.938 20 0 DFADHO CC(C)CC[C@H](O)CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000573476590 429957239 /nfs/dbraw/zinc/95/72/39/429957239.db2.gz UTVZSIKZFDZQKC-UXHICEINSA-N 1 3 318.505 2.938 20 0 DFADHO CC(C)CC[C@H](O)CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000573476590 429957243 /nfs/dbraw/zinc/95/72/43/429957243.db2.gz UTVZSIKZFDZQKC-UXHICEINSA-N 1 3 318.505 2.938 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639791224 429983134 /nfs/dbraw/zinc/98/31/34/429983134.db2.gz JHNZZGIGHOTIHW-IRXDYDNUSA-N 1 3 310.445 2.903 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639791224 429983139 /nfs/dbraw/zinc/98/31/39/429983139.db2.gz JHNZZGIGHOTIHW-IRXDYDNUSA-N 1 3 310.445 2.903 20 0 DFADHO CN(C)c1cccc(C[N@@H+]2CCCN(c3ccncc3)CC2)c1 ZINC000639682006 429943895 /nfs/dbraw/zinc/94/38/95/429943895.db2.gz DOJCGFJZXIYNLW-UHFFFAOYSA-N 1 3 310.445 2.860 20 0 DFADHO CN(C)c1cccc(C[N@H+]2CCCN(c3ccncc3)CC2)c1 ZINC000639682006 429943900 /nfs/dbraw/zinc/94/39/00/429943900.db2.gz DOJCGFJZXIYNLW-UHFFFAOYSA-N 1 3 310.445 2.860 20 0 DFADHO C[C@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000573912451 429992786 /nfs/dbraw/zinc/99/27/86/429992786.db2.gz ROADHLSFWQJURV-LZWOXQAQSA-N 1 3 307.869 2.896 20 0 DFADHO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CCCNC1 ZINC000573912451 429992790 /nfs/dbraw/zinc/99/27/90/429992790.db2.gz ROADHLSFWQJURV-LZWOXQAQSA-N 1 3 307.869 2.896 20 0 DFADHO C1CC2(C1)[C@H]([NH2+]C1CCN(C3CCCC3)CC1)[C@H]1CCO[C@@H]12 ZINC000122115485 276850838 /nfs/dbraw/zinc/85/08/38/276850838.db2.gz YULCEVCKMLNRJC-KURKYZTESA-N 1 3 304.478 2.941 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000529714332 430056626 /nfs/dbraw/zinc/05/66/26/430056626.db2.gz HKYIAUTYAMOQRE-SFHVURJKSA-N 1 3 321.509 2.630 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000370636158 277028233 /nfs/dbraw/zinc/02/82/33/277028233.db2.gz QRFMQEYCCSCUPP-APWZRJJASA-N 1 3 317.452 2.571 20 0 DFADHO CC(C)n1ccc(C[C@@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000635008156 430194358 /nfs/dbraw/zinc/19/43/58/430194358.db2.gz QVRGJGXOIZCUAJ-SJLPKXTDSA-N 1 3 314.477 2.945 20 0 DFADHO CC(C)n1ccc(C[C@@H](C)[NH2+]CC[C@@H](N)Cc2ccccc2)n1 ZINC000635008156 430194363 /nfs/dbraw/zinc/19/43/63/430194363.db2.gz QVRGJGXOIZCUAJ-SJLPKXTDSA-N 1 3 314.477 2.945 20 0 DFADHO CC1(C)[C@H]([NH2+]Cc2cccc3c2CCNC3)[C@H]2CCCO[C@@H]21 ZINC000635007603 430194638 /nfs/dbraw/zinc/19/46/38/430194638.db2.gz FEGYWRYDTQDKJR-KURKYZTESA-N 1 3 300.446 2.626 20 0 DFADHO N[C@H](CC[NH2+][C@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000635004669 430194663 /nfs/dbraw/zinc/19/46/63/430194663.db2.gz FXCUKHKNUHGVLV-MSOLQXFVSA-N 1 3 302.462 2.885 20 0 DFADHO COc1cccc(C[C@H](C)[NH2+]CC[C@H](N)Cc2ccccc2)n1 ZINC000635005352 430193421 /nfs/dbraw/zinc/19/34/21/430193421.db2.gz IFGPTTCUCFUJIH-RDJZCZTQSA-N 1 3 313.445 2.571 20 0 DFADHO COc1cccc(C[C@H](C)NCC[C@H]([NH3+])Cc2ccccc2)n1 ZINC000635005352 430193425 /nfs/dbraw/zinc/19/34/25/430193425.db2.gz IFGPTTCUCFUJIH-RDJZCZTQSA-N 1 3 313.445 2.571 20 0 DFADHO CN1CC[C@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1cccs1 ZINC000370160086 277162493 /nfs/dbraw/zinc/16/24/93/277162493.db2.gz FNLRGJMJXBCGQC-UKRRQHHQSA-N 1 3 306.479 2.751 20 0 DFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cc(F)ccc1F ZINC000635008802 430195143 /nfs/dbraw/zinc/19/51/43/430195143.db2.gz KQYOXBPUBYXBNW-LBPRGKRZSA-N 1 3 318.371 2.943 20 0 DFADHO Cc1cc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)oc1C ZINC000635008987 430196512 /nfs/dbraw/zinc/19/65/12/430196512.db2.gz LOADDVIXFBDLFE-CYBMUJFWSA-N 1 3 300.406 2.874 20 0 DFADHO CCN[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000638061982 430224354 /nfs/dbraw/zinc/22/43/54/430224354.db2.gz BUKNDYVJTWSQRV-CABCVRRESA-N 1 3 303.450 2.998 20 0 DFADHO CCN[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000638061982 430224357 /nfs/dbraw/zinc/22/43/57/430224357.db2.gz BUKNDYVJTWSQRV-CABCVRRESA-N 1 3 303.450 2.998 20 0 DFADHO Cc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c(-n2cc(Cl)cn2)n1 ZINC000581834991 430242886 /nfs/dbraw/zinc/24/28/86/430242886.db2.gz IPOBRAHTGBDEJN-CABCVRRESA-N 1 3 319.840 2.589 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635326081 430255249 /nfs/dbraw/zinc/25/52/49/430255249.db2.gz UFRZUOCYGXLTBQ-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635326081 430255252 /nfs/dbraw/zinc/25/52/52/430255252.db2.gz UFRZUOCYGXLTBQ-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO CC[N@H+](C)Cc1cccc(CNC(=O)CN(C)CC(C)(C)C)c1 ZINC000635409810 430273107 /nfs/dbraw/zinc/27/31/07/430273107.db2.gz WAZTYQWEXCKXNY-UHFFFAOYSA-N 1 3 319.493 2.732 20 0 DFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)CN(C)CC(C)(C)C)c1 ZINC000635409810 430273109 /nfs/dbraw/zinc/27/31/09/430273109.db2.gz WAZTYQWEXCKXNY-UHFFFAOYSA-N 1 3 319.493 2.732 20 0 DFADHO C[C@@H](O)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000542834666 430229010 /nfs/dbraw/zinc/22/90/10/430229010.db2.gz SJVOZGCFDJLRJE-NXWXRZEISA-N 1 3 302.462 2.648 20 0 DFADHO CCN[C@H](C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000638078124 430229115 /nfs/dbraw/zinc/22/91/15/430229115.db2.gz DCVBAKGLCDZAIY-OAHLLOKOSA-N 1 3 303.450 2.652 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCN(C)C)c2)C[C@H](C)O1 ZINC000568355095 430349962 /nfs/dbraw/zinc/34/99/62/430349962.db2.gz NJDQUCFIYCAIPN-QLPKVWCKSA-N 1 3 306.450 2.673 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CC1(F)F ZINC000638272791 430290347 /nfs/dbraw/zinc/29/03/47/430290347.db2.gz CHKYJUVOAYIMCL-SUMWQHHRSA-N 1 3 324.415 2.777 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CS1 ZINC000638274431 430292052 /nfs/dbraw/zinc/29/20/52/430292052.db2.gz OLECZUIDNIZLPG-WMLDXEAASA-N 1 3 320.502 2.627 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000582367784 430293483 /nfs/dbraw/zinc/29/34/83/430293483.db2.gz DOVZKLOUJBMDNC-CRAIPNDOSA-N 1 3 308.441 2.708 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000582367784 430293486 /nfs/dbraw/zinc/29/34/86/430293486.db2.gz DOVZKLOUJBMDNC-CRAIPNDOSA-N 1 3 308.441 2.708 20 0 DFADHO C[C@@H](c1ccc2c(c1)CCC(=O)N2)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000582414672 430296639 /nfs/dbraw/zinc/29/66/39/430296639.db2.gz VNFLVGFUIRFWHO-FHSNZYRGSA-N 1 3 301.434 2.549 20 0 DFADHO C[C@@H](c1ccc2c(c1)CCC(=O)N2)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000582414672 430296643 /nfs/dbraw/zinc/29/66/43/430296643.db2.gz VNFLVGFUIRFWHO-FHSNZYRGSA-N 1 3 301.434 2.549 20 0 DFADHO C[C@@H](c1ccc2c(c1)CCC(=O)N2)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000582414672 430296647 /nfs/dbraw/zinc/29/66/47/430296647.db2.gz VNFLVGFUIRFWHO-FHSNZYRGSA-N 1 3 301.434 2.549 20 0 DFADHO CCC(CC)[C@H](CNCCCc1cnn(C)c1)[NH+]1CCCC1 ZINC000638349811 430311183 /nfs/dbraw/zinc/31/11/83/430311183.db2.gz WDFAXEOOCZOKOV-SFHVURJKSA-N 1 3 306.498 2.843 20 0 DFADHO COc1cc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)sn1 ZINC000638372527 430319836 /nfs/dbraw/zinc/31/98/36/430319836.db2.gz XFOSXDAQDDFMEY-ZIAGYGMSSA-N 1 3 311.495 2.999 20 0 DFADHO CCOC1CC(C[NH2+]Cc2cccc(OCCN(C)C)c2)C1 ZINC000638381084 430323068 /nfs/dbraw/zinc/32/30/68/430323068.db2.gz GLUXSKKGJMGJMB-UHFFFAOYSA-N 1 3 306.450 2.532 20 0 DFADHO CN(C)CCOc1ccccc1C[NH2+]CC1CCSCC1 ZINC000638448915 430345771 /nfs/dbraw/zinc/34/57/71/430345771.db2.gz UHXCOZSMTPIXPE-UHFFFAOYSA-N 1 3 308.491 2.860 20 0 DFADHO CO[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000638701025 430412380 /nfs/dbraw/zinc/41/23/80/430412380.db2.gz NDBMVZPHPWPLRU-IPQPSQTFSA-N 1 3 302.462 2.849 20 0 DFADHO CO[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000638701025 430412382 /nfs/dbraw/zinc/41/23/82/430412382.db2.gz NDBMVZPHPWPLRU-IPQPSQTFSA-N 1 3 302.462 2.849 20 0 DFADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CS1 ZINC000638718164 430415375 /nfs/dbraw/zinc/41/53/75/430415375.db2.gz FEBKKBPTOOXFPG-YOEHRIQHSA-N 1 3 320.502 2.627 20 0 DFADHO CC[C@@](C)(C[NH2+]Cc1ccccc1CN1CCC(O)CC1)OC ZINC000638720019 430417074 /nfs/dbraw/zinc/41/70/74/430417074.db2.gz PXXCLWVPXIHGLK-IBGZPJMESA-N 1 3 320.477 2.548 20 0 DFADHO CCOC1CC(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC000638522134 430366109 /nfs/dbraw/zinc/36/61/09/430366109.db2.gz XOUGKMUZELOJQL-XEVCZEQESA-N 1 3 316.489 2.956 20 0 DFADHO CN(C)CCOc1ccc(CC[NH2+]CC2CCSCC2)cc1 ZINC000638539492 430371377 /nfs/dbraw/zinc/37/13/77/430371377.db2.gz ANJWKNFUZKMMIR-UHFFFAOYSA-N 1 3 322.518 2.902 20 0 DFADHO CO[C@H](CNCC(C)(C)[NH2+][C@H](C)c1ccccc1)[C@@H]1CCOC1 ZINC000638602843 430387534 /nfs/dbraw/zinc/38/75/34/430387534.db2.gz WTGPMFPHMGOYNP-KBAYOESNSA-N 1 3 320.477 2.757 20 0 DFADHO c1nc(C2CCCCC2)sc1CNCCCN1CC[NH2+]CC1 ZINC000568962697 430409104 /nfs/dbraw/zinc/40/91/04/430409104.db2.gz LSKOGVVPVAXIDR-UHFFFAOYSA-N 1 3 322.522 2.576 20 0 DFADHO Cc1ccccc1O[C@H](C)CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638691632 430410955 /nfs/dbraw/zinc/41/09/55/430410955.db2.gz ZXZCOVXMSPCMHO-MRXNPFEDSA-N 1 3 320.477 2.587 20 0 DFADHO CN(C)Cc1ccc(NC(=O)C23CCC[NH+](CCC2)C3)c(F)c1 ZINC000636024544 430441533 /nfs/dbraw/zinc/44/15/33/430441533.db2.gz SKQYYAKRYVKCOC-UHFFFAOYSA-N 1 3 319.424 2.702 20 0 DFADHO CC(C)N1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548060400 430444281 /nfs/dbraw/zinc/44/42/81/430444281.db2.gz ZIYYBUIFRLGDTG-UHFFFAOYSA-N 1 3 309.498 2.584 20 0 DFADHO CC(C)N1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548060400 430444285 /nfs/dbraw/zinc/44/42/85/430444285.db2.gz ZIYYBUIFRLGDTG-UHFFFAOYSA-N 1 3 309.498 2.584 20 0 DFADHO C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548155710 430453226 /nfs/dbraw/zinc/45/32/26/430453226.db2.gz CIFXJNPMUVZGDX-QWFCFKBJSA-N 1 3 315.505 2.828 20 0 DFADHO CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCN(C(C)C)C2)CC1 ZINC000569507124 430461594 /nfs/dbraw/zinc/46/15/94/430461594.db2.gz BITSWJTWNDQLTH-HJOIGYKYSA-N 1 3 310.482 2.818 20 0 DFADHO Cn1cc([C@H]2C[N@H+](CCCN3CCCCC3)CC2(C)C)cn1 ZINC000569658262 430473684 /nfs/dbraw/zinc/47/36/84/430473684.db2.gz LUPDIIZMEZQUBZ-QGZVFWFLSA-N 1 3 304.482 2.722 20 0 DFADHO Cn1cc([C@H]2C[N@@H+](CCCN3CCCCC3)CC2(C)C)cn1 ZINC000569658262 430473688 /nfs/dbraw/zinc/47/36/88/430473688.db2.gz LUPDIIZMEZQUBZ-QGZVFWFLSA-N 1 3 304.482 2.722 20 0 DFADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(=O)N(C)c1ccccc1 ZINC000569680107 430476471 /nfs/dbraw/zinc/47/64/71/430476471.db2.gz XWERFESBYZJTKJ-AEFFLSMTSA-N 1 3 317.477 2.892 20 0 DFADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(=O)N(C)c1ccccc1 ZINC000569680107 430476476 /nfs/dbraw/zinc/47/64/76/430476476.db2.gz XWERFESBYZJTKJ-AEFFLSMTSA-N 1 3 317.477 2.892 20 0 DFADHO CCCc1nc(C)c(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)o1 ZINC000641799857 430476718 /nfs/dbraw/zinc/47/67/18/430476718.db2.gz RPILREJRNHJBSH-CRAIPNDOSA-N 1 3 321.465 2.654 20 0 DFADHO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cccc(CN(C)C)c1 ZINC000548454426 430476856 /nfs/dbraw/zinc/47/68/56/430476856.db2.gz OSONWPKFQILYKT-SFHVURJKSA-N 1 3 317.477 2.695 20 0 DFADHO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cccc(CN(C)C)c1 ZINC000548454426 430476859 /nfs/dbraw/zinc/47/68/59/430476859.db2.gz OSONWPKFQILYKT-SFHVURJKSA-N 1 3 317.477 2.695 20 0 DFADHO CCCc1nc(C)c(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000641823619 430483339 /nfs/dbraw/zinc/48/33/39/430483339.db2.gz STXDVZSMBVDLAG-XHSDSOJGSA-N 1 3 321.465 2.654 20 0 DFADHO C[C@H]([NH2+][C@@H](C)C(C)(C)n1cncn1)[C@H]1CCCN(C2CCC2)C1 ZINC000638969775 430484131 /nfs/dbraw/zinc/48/41/31/430484131.db2.gz IOQLTGDTESUQMR-JYJNAYRXSA-N 1 3 319.497 2.644 20 0 DFADHO CC(C)[C@@H](CNC(=O)C1(N)CCCCC1)[NH+]1CCC(C)CC1 ZINC000236678307 277738762 /nfs/dbraw/zinc/73/87/62/277738762.db2.gz VUJDSGMKVMYDMU-MRXNPFEDSA-N 1 3 309.498 2.521 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000638981295 430486771 /nfs/dbraw/zinc/48/67/71/430486771.db2.gz QKQUFPYMPIGWHO-QGZVFWFLSA-N 1 3 315.461 2.554 20 0 DFADHO N[C@@H](CC(=O)N1CC[C@@H](C[NH3+])c2ccccc21)c1ccccc1 ZINC000639067652 430510435 /nfs/dbraw/zinc/51/04/35/430510435.db2.gz KFUYZQFCAHSULZ-RDJZCZTQSA-N 1 3 309.413 2.556 20 0 DFADHO CCCc1ccc(C[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000642342873 430512233 /nfs/dbraw/zinc/51/22/33/430512233.db2.gz BNPLHMWWRMHQDK-UHFFFAOYSA-N 1 3 303.494 2.756 20 0 DFADHO c1cc(CCCN2CC[C@]3(C2)CCC[NH2+]C3)cc2c1OCC2 ZINC000570092971 430513922 /nfs/dbraw/zinc/51/39/22/430513922.db2.gz BZDWEXXQPQHLIK-LJQANCHMSA-N 1 3 300.446 2.630 20 0 DFADHO c1cc(CCC[N@@H+]2CC[C@]3(C2)CCCNC3)cc2c1OCC2 ZINC000570092971 430513925 /nfs/dbraw/zinc/51/39/25/430513925.db2.gz BZDWEXXQPQHLIK-LJQANCHMSA-N 1 3 300.446 2.630 20 0 DFADHO c1cc(CCC[N@H+]2CC[C@]3(C2)CCCNC3)cc2c1OCC2 ZINC000570092971 430513928 /nfs/dbraw/zinc/51/39/28/430513928.db2.gz BZDWEXXQPQHLIK-LJQANCHMSA-N 1 3 300.446 2.630 20 0 DFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549143387 430518918 /nfs/dbraw/zinc/51/89/18/430518918.db2.gz GLHWNYVURCFZEQ-HOJAQTOUSA-N 1 3 315.505 2.796 20 0 DFADHO C[C@@H]1C[C@@H](CCNCc2cnccn2)C[N@@H+]1Cc1ccccc1 ZINC000570176983 430522406 /nfs/dbraw/zinc/52/24/06/430522406.db2.gz KHAICYOELRTPLM-SJLPKXTDSA-N 1 3 310.445 2.867 20 0 DFADHO C[C@@H]1C[C@@H](CCNCc2cnccn2)C[N@H+]1Cc1ccccc1 ZINC000570176983 430522410 /nfs/dbraw/zinc/52/24/10/430522410.db2.gz KHAICYOELRTPLM-SJLPKXTDSA-N 1 3 310.445 2.867 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000570411066 430541610 /nfs/dbraw/zinc/54/16/10/430541610.db2.gz TWAYQFLYGXXVHM-DLBZAZTESA-N 1 3 306.425 2.733 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000570411066 430541612 /nfs/dbraw/zinc/54/16/12/430541612.db2.gz TWAYQFLYGXXVHM-DLBZAZTESA-N 1 3 306.425 2.733 20 0 DFADHO C[C@@H]1C[C@@H](Nc2cccc3c2OCC[C@H]3N(C)C)CC[N@@H+]1C ZINC000639114627 430529694 /nfs/dbraw/zinc/52/96/94/430529694.db2.gz GMEZFRCLRCFAJY-JKIFEVAISA-N 1 3 303.450 2.966 20 0 DFADHO C[C@@H]1C[C@@H](Nc2cccc3c2OCC[C@H]3N(C)C)CC[N@H+]1C ZINC000639114627 430529699 /nfs/dbraw/zinc/52/96/99/430529699.db2.gz GMEZFRCLRCFAJY-JKIFEVAISA-N 1 3 303.450 2.966 20 0 DFADHO COc1ccc(COCCN[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000643078011 430549149 /nfs/dbraw/zinc/54/91/49/430549149.db2.gz OKQDABDRNDOAQV-SFHVURJKSA-N 1 3 306.450 2.709 20 0 DFADHO C[C@@H](N[C@@H](CN1CCCCC1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000643451866 430600798 /nfs/dbraw/zinc/60/07/98/430600798.db2.gz NIMVKBUIBRPPPF-QRQLOZEOSA-N 1 3 301.478 2.944 20 0 DFADHO CC(C)C1(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000639175267 430556326 /nfs/dbraw/zinc/55/63/26/430556326.db2.gz KMKSISPUNHOMGP-JWTNVVGKSA-N 1 3 305.510 2.665 20 0 DFADHO CC(C)C1(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000639175267 430556327 /nfs/dbraw/zinc/55/63/27/430556327.db2.gz KMKSISPUNHOMGP-JWTNVVGKSA-N 1 3 305.510 2.665 20 0 DFADHO COc1ccc(COCCN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000643441039 430601125 /nfs/dbraw/zinc/60/11/25/430601125.db2.gz OBLNZWQBNJCDJX-ZOBUZTSGSA-N 1 3 306.450 2.517 20 0 DFADHO C[C@H](N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000643451869 430601568 /nfs/dbraw/zinc/60/15/68/430601568.db2.gz NIMVKBUIBRPPPF-WDSOQIARSA-N 1 3 301.478 2.944 20 0 DFADHO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCCC[C@H]3CN)c2c1 ZINC000643453949 430602574 /nfs/dbraw/zinc/60/25/74/430602574.db2.gz NKGFZJYWRDKQTO-SUMWQHHRSA-N 1 3 301.434 2.826 20 0 DFADHO C[C@@H](C[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)N(C)C ZINC000639233939 430581606 /nfs/dbraw/zinc/58/16/06/430581606.db2.gz YZRAWBIDCTYJJM-VDZJLULYSA-N 1 3 301.478 2.894 20 0 DFADHO COc1ccc2[nH]cc(CC[NH2+][C@H]3CCCC[C@H]3CN)c2c1 ZINC000643453948 430602085 /nfs/dbraw/zinc/60/20/85/430602085.db2.gz NKGFZJYWRDKQTO-GUYCJALGSA-N 1 3 301.434 2.826 20 0 DFADHO COc1cc(CNCC[C@@H]2CCC[N@H+](C)C2)c(Cl)cc1O ZINC000639257765 430589231 /nfs/dbraw/zinc/58/92/31/430589231.db2.gz RFAVDHADBNJAQL-LBPRGKRZSA-N 1 3 312.841 2.876 20 0 DFADHO COc1cc(CNCC[C@@H]2CCC[N@@H+](C)C2)c(Cl)cc1O ZINC000639257765 430589236 /nfs/dbraw/zinc/58/92/36/430589236.db2.gz RFAVDHADBNJAQL-LBPRGKRZSA-N 1 3 312.841 2.876 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000570931099 430590454 /nfs/dbraw/zinc/59/04/54/430590454.db2.gz DDNYHRYQDZRNLZ-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000570931099 430590456 /nfs/dbraw/zinc/59/04/56/430590456.db2.gz DDNYHRYQDZRNLZ-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO COc1cccc2c1OC[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000643451969 430602366 /nfs/dbraw/zinc/60/23/66/430602366.db2.gz GEEKFZRNZBQJCJ-WCXIOVBPSA-N 1 3 316.445 2.509 20 0 DFADHO CC[C@H](C)[C@@H](CNC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)OC ZINC000639286856 430597911 /nfs/dbraw/zinc/59/79/11/430597911.db2.gz UZBZSJXYYTZAHX-WZGPROSRSA-N 1 3 304.478 2.983 20 0 DFADHO CC[C@H](C)[C@@H](CNC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)OC ZINC000639286856 430597915 /nfs/dbraw/zinc/59/79/15/430597915.db2.gz UZBZSJXYYTZAHX-WZGPROSRSA-N 1 3 304.478 2.983 20 0 DFADHO Cc1ccc(CNCCCC[N@@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000570454670 430544690 /nfs/dbraw/zinc/54/46/90/430544690.db2.gz OFSAZLNTZCYSKF-MRXNPFEDSA-N 1 3 310.869 2.975 20 0 DFADHO Cc1ccc(CNCCCC[N@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000570454670 430544693 /nfs/dbraw/zinc/54/46/93/430544693.db2.gz OFSAZLNTZCYSKF-MRXNPFEDSA-N 1 3 310.869 2.975 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000554714543 430649868 /nfs/dbraw/zinc/64/98/68/430649868.db2.gz BYWKFWWZUNOURA-FZDIXFNVSA-N 1 3 300.446 2.531 20 0 DFADHO Cc1ccc(NC(=O)CCN[C@H](CC[NH+](C)C)C(C)(C)C)nc1 ZINC000571754164 430651422 /nfs/dbraw/zinc/65/14/22/430651422.db2.gz KIVHTKXCNPYVJC-OAHLLOKOSA-N 1 3 320.481 2.675 20 0 DFADHO Fc1ccc(N2CC[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1F ZINC000643453058 430602748 /nfs/dbraw/zinc/60/27/48/430602748.db2.gz FLORCAKHEXWREI-JKXDFHQYSA-N 1 3 321.415 2.664 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(CC(F)F)CC1 ZINC000643460033 430603847 /nfs/dbraw/zinc/60/38/47/430603847.db2.gz NCLWLPATTUMFFX-DZGCQCFKSA-N 1 3 303.441 2.616 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CS1 ZINC000639312209 430606138 /nfs/dbraw/zinc/60/61/38/430606138.db2.gz SWKCKDCINCFSAX-RHSMWYFYSA-N 1 3 305.491 2.777 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccnn1C ZINC000643484292 430607680 /nfs/dbraw/zinc/60/76/80/430607680.db2.gz PXPKCWYBOBWOFK-YYIAUSFCSA-N 1 3 304.482 2.670 20 0 DFADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccc(-n2cnnn2)c1 ZINC000643513900 430611871 /nfs/dbraw/zinc/61/18/71/430611871.db2.gz IUWRRSIVZXUCNZ-UONOGXRCSA-N 1 3 322.416 2.533 20 0 DFADHO CC(=O)Nc1cccc([C@@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000643532936 430612963 /nfs/dbraw/zinc/61/29/63/430612963.db2.gz BEFBVBUDZLBFLV-OCBCSQNSSA-N 1 3 301.434 2.684 20 0 DFADHO O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CCCNCC1)CC2 ZINC000643522651 430613614 /nfs/dbraw/zinc/61/36/14/430613614.db2.gz QWPIZKFAVZCAEF-TZGCNFNXSA-N 1 3 313.445 2.551 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000643548563 430615275 /nfs/dbraw/zinc/61/52/75/430615275.db2.gz RDEMOTSQEGDSOF-BZUAXINKSA-N 1 3 302.466 2.711 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000643548565 430615338 /nfs/dbraw/zinc/61/53/38/430615338.db2.gz RDEMOTSQEGDSOF-OWCLPIDISA-N 1 3 302.466 2.711 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546852 430615895 /nfs/dbraw/zinc/61/58/95/430615895.db2.gz VWHSGNCDPRQBMS-WBVHZDCISA-N 1 3 315.461 2.976 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)c1 ZINC000643546852 430615898 /nfs/dbraw/zinc/61/58/98/430615898.db2.gz VWHSGNCDPRQBMS-WBVHZDCISA-N 1 3 315.461 2.976 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000639360401 430619497 /nfs/dbraw/zinc/61/94/97/430619497.db2.gz WYHXCCXIYMBZTN-TTYHFUOFSA-N 1 3 314.473 2.912 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000639360401 430619500 /nfs/dbraw/zinc/61/95/00/430619500.db2.gz WYHXCCXIYMBZTN-TTYHFUOFSA-N 1 3 314.473 2.912 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000639360401 430619501 /nfs/dbraw/zinc/61/95/01/430619501.db2.gz WYHXCCXIYMBZTN-TTYHFUOFSA-N 1 3 314.473 2.912 20 0 DFADHO C[C@@H]1CC2(CN1Cc1nc3c(s1)CCCC3)CC[NH2+]CC2 ZINC000643973763 430645604 /nfs/dbraw/zinc/64/56/04/430645604.db2.gz HHVIMDGUWNCPSR-CYBMUJFWSA-N 1 3 305.491 2.986 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CNC1CC[NH+](C2CCC2)CC1 ZINC000572028539 430668322 /nfs/dbraw/zinc/66/83/22/430668322.db2.gz BYFUNOUUMYEXDM-DNVCBOLYSA-N 1 3 302.462 2.758 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCNCC[N@H+]1CCC[C@H](C)C1 ZINC000555903556 430676040 /nfs/dbraw/zinc/67/60/40/430676040.db2.gz KGLDRDUSYYDEOW-AWEZNQCLSA-N 1 3 321.440 2.784 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCNCC[N@@H+]1CCC[C@H](C)C1 ZINC000555903556 430676042 /nfs/dbraw/zinc/67/60/42/430676042.db2.gz KGLDRDUSYYDEOW-AWEZNQCLSA-N 1 3 321.440 2.784 20 0 DFADHO C[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000572257766 430678395 /nfs/dbraw/zinc/67/83/95/430678395.db2.gz QIFDNGALBSHFFO-QXAKKESOSA-N 1 3 301.478 2.629 20 0 DFADHO COc1cccc2c1CC[C@H]2NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278526628 278036209 /nfs/dbraw/zinc/03/62/09/278036209.db2.gz NEJSMZKBLKXMGE-CRAIPNDOSA-N 1 3 318.461 2.773 20 0 DFADHO COc1cccc2c1CC[C@H]2NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000278526628 278036210 /nfs/dbraw/zinc/03/62/10/278036210.db2.gz NEJSMZKBLKXMGE-CRAIPNDOSA-N 1 3 318.461 2.773 20 0 DFADHO C[C@@H](NCCCC[NH+](C)C)c1ncc(Br)cc1F ZINC000275283284 278343627 /nfs/dbraw/zinc/34/36/27/278343627.db2.gz FGLRCRUTYFRXEL-SNVBAGLBSA-N 1 3 318.234 2.976 20 0 DFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1ncc(C(F)(F)F)s1 ZINC000572970107 430698767 /nfs/dbraw/zinc/69/87/67/430698767.db2.gz OSVWLGNQWHJPNR-AYBYRNOTSA-N 1 3 305.369 2.767 20 0 DFADHO COc1cc(C)c(CNCc2ccc(C[NH3+])cc2)cc1OC ZINC000573000877 430699289 /nfs/dbraw/zinc/69/92/89/430699289.db2.gz WRQXVXWGGYXFBC-UHFFFAOYSA-N 1 3 300.402 2.761 20 0 DFADHO c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000657997274 430782691 /nfs/dbraw/zinc/78/26/91/430782691.db2.gz ARMLHABBUZKWIM-MSOLQXFVSA-N 1 3 310.445 2.830 20 0 DFADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000664719787 430730225 /nfs/dbraw/zinc/73/02/25/430730225.db2.gz ZPWMRMDZPSJSQC-ZBFHGGJFSA-N 1 3 305.466 2.559 20 0 DFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000664719787 430730228 /nfs/dbraw/zinc/73/02/28/430730228.db2.gz ZPWMRMDZPSJSQC-ZBFHGGJFSA-N 1 3 305.466 2.559 20 0 DFADHO c1ccc(C[N@H+]2C[C@H](CN[C@@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000657773383 430731102 /nfs/dbraw/zinc/73/11/02/430731102.db2.gz RDABJMFOUUBHTD-ZWKOTPCHSA-N 1 3 300.446 2.667 20 0 DFADHO c1ccc(C[N@@H+]2C[C@H](CN[C@@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000657773383 430731107 /nfs/dbraw/zinc/73/11/07/430731107.db2.gz RDABJMFOUUBHTD-ZWKOTPCHSA-N 1 3 300.446 2.667 20 0 DFADHO C[C@@H](Cc1cnccn1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000651210947 430738046 /nfs/dbraw/zinc/73/80/46/430738046.db2.gz GQBUQIIEEUNOEJ-HNNXBMFYSA-N 1 3 302.466 2.652 20 0 DFADHO C[C@@H](Cc1cnccn1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000651210947 430738052 /nfs/dbraw/zinc/73/80/52/430738052.db2.gz GQBUQIIEEUNOEJ-HNNXBMFYSA-N 1 3 302.466 2.652 20 0 DFADHO COC[C@H](CC1CCOCC1)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000657828269 430745341 /nfs/dbraw/zinc/74/53/41/430745341.db2.gz RDLNAQQRUMSQFV-IBGZPJMESA-N 1 3 320.477 2.670 20 0 DFADHO CC[C@H]1C[C@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)CCO1 ZINC000648427710 430783278 /nfs/dbraw/zinc/78/32/78/430783278.db2.gz OQAMPUBBCFHZBJ-SJORKVTESA-N 1 3 306.450 2.674 20 0 DFADHO COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000657869933 430755998 /nfs/dbraw/zinc/75/59/98/430755998.db2.gz AOQSHYLCMDDCLP-MSOLQXFVSA-N 1 3 312.498 2.528 20 0 DFADHO COC[C@H](CC1CCOCC1)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000657869933 430756002 /nfs/dbraw/zinc/75/60/02/430756002.db2.gz AOQSHYLCMDDCLP-MSOLQXFVSA-N 1 3 312.498 2.528 20 0 DFADHO COC[C@H](CC1CCOCC1)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000657869933 430756008 /nfs/dbraw/zinc/75/60/08/430756008.db2.gz AOQSHYLCMDDCLP-MSOLQXFVSA-N 1 3 312.498 2.528 20 0 DFADHO CC[C@@H](C[NH+]1CCCC1)NCCC(=O)Nc1ccccc1F ZINC000644569554 430756218 /nfs/dbraw/zinc/75/62/18/430756218.db2.gz XSYQVQMZDXCOHR-AWEZNQCLSA-N 1 3 307.413 2.618 20 0 DFADHO CC[C@H](C[NH+]1CCCC1)NCCC(=O)Nc1ccccc1F ZINC000644569555 430757508 /nfs/dbraw/zinc/75/75/08/430757508.db2.gz XSYQVQMZDXCOHR-CQSZACIVSA-N 1 3 307.413 2.618 20 0 DFADHO C[N@H+](C[C@H](O)CNC1CC(c2cccc(Cl)c2)C1)C1CC1 ZINC000644576674 430758336 /nfs/dbraw/zinc/75/83/36/430758336.db2.gz VEXTVTXQTORRIU-PUJMQQBBSA-N 1 3 308.853 2.631 20 0 DFADHO C[N@@H+](C[C@H](O)CNC1CC(c2cccc(Cl)c2)C1)C1CC1 ZINC000644576674 430758339 /nfs/dbraw/zinc/75/83/39/430758339.db2.gz VEXTVTXQTORRIU-PUJMQQBBSA-N 1 3 308.853 2.631 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCSCC2)C[C@H](C)O1 ZINC000657918550 430767591 /nfs/dbraw/zinc/76/75/91/430767591.db2.gz DXIYIGPEVWMOEZ-XHSDSOJGSA-N 1 3 300.512 2.751 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000658109149 430815301 /nfs/dbraw/zinc/81/53/01/430815301.db2.gz REICFBJXFYMTBS-KBPBESRZSA-N 1 3 313.436 2.887 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3CCF)cc2)C1 ZINC000658134932 430820355 /nfs/dbraw/zinc/82/03/55/430820355.db2.gz CFNAYMITCUVYDN-QRVBRYPASA-N 1 3 320.452 2.871 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)C1 ZINC000658140288 430822199 /nfs/dbraw/zinc/82/21/99/430822199.db2.gz PLUSYSPCRQBKEQ-SFHVURJKSA-N 1 3 300.446 2.531 20 0 DFADHO CCCC[C@H](COC)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658138559 430822279 /nfs/dbraw/zinc/82/22/79/430822279.db2.gz JJWAYDRCSTURHE-MOPGFXCFSA-N 1 3 320.477 2.548 20 0 DFADHO CC1(C)CC[C@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000658136628 430822379 /nfs/dbraw/zinc/82/23/79/430822379.db2.gz HNZGVVQAMZWOAW-ROUUACIJSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658142856 430823279 /nfs/dbraw/zinc/82/32/79/430823279.db2.gz FCAHAWYLZRYZJP-ATZDWAIDSA-N 1 3 302.462 2.922 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H](C3CC3)C3CCC3)cc2)C1 ZINC000658139846 430823940 /nfs/dbraw/zinc/82/39/40/430823940.db2.gz TTWZTYNXAZIKJQ-UXHICEINSA-N 1 3 314.473 2.922 20 0 DFADHO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658141586 430824154 /nfs/dbraw/zinc/82/41/54/430824154.db2.gz SMBSHPWQXPMMCP-KXBFYZLASA-N 1 3 302.462 2.922 20 0 DFADHO CO[C@@H](C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000658170737 430833834 /nfs/dbraw/zinc/83/38/34/430833834.db2.gz NMUYFVYVFBWATI-JCHJZTRSSA-N 1 3 302.462 2.912 20 0 DFADHO COC[C@H](CC(C)C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168386 430833874 /nfs/dbraw/zinc/83/38/74/430833874.db2.gz WQIPODHPGPSJCY-IBGZPJMESA-N 1 3 319.493 2.944 20 0 DFADHO CO[C@@H](C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000658170738 430834623 /nfs/dbraw/zinc/83/46/23/430834623.db2.gz NMUYFVYVFBWATI-WZGPROSRSA-N 1 3 302.462 2.912 20 0 DFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000648432551 430784563 /nfs/dbraw/zinc/78/45/63/430784563.db2.gz XDAWZWKJCQOMCQ-FXAWDEMLSA-N 1 3 315.505 2.766 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCN(C)C2)CC1 ZINC000648432551 430784567 /nfs/dbraw/zinc/78/45/67/430784567.db2.gz XDAWZWKJCQOMCQ-FXAWDEMLSA-N 1 3 315.505 2.766 20 0 DFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCn2cncn2)CC1 ZINC000648446137 430790923 /nfs/dbraw/zinc/79/09/23/430790923.db2.gz BHKOTFWPCJOZSH-UHFFFAOYSA-N 1 3 321.513 2.937 20 0 DFADHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccccn1 ZINC000658067943 430797190 /nfs/dbraw/zinc/79/71/90/430797190.db2.gz SNNSMMLKSCYGJT-HNNXBMFYSA-N 1 3 303.450 2.623 20 0 DFADHO COC[C@H](CC(C)(C)C)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000651719630 430858923 /nfs/dbraw/zinc/85/89/23/430858923.db2.gz ZSHFLBADLLWJBA-WBVHZDCISA-N 1 3 312.498 2.528 20 0 DFADHO C[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(OCCN(C)C)cc1 ZINC000658285560 430864383 /nfs/dbraw/zinc/86/43/83/430864383.db2.gz XBWVXMMPDQVOAU-KLHKWILBSA-N 1 3 320.477 2.829 20 0 DFADHO Fc1c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cccc1OC1CC1 ZINC000665244048 430866456 /nfs/dbraw/zinc/86/64/56/430866456.db2.gz FNRXQPXJCPFWFB-NWANDNLSSA-N 1 3 304.409 2.845 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NCc1cnnn1-c1ccccc1 ZINC000651749861 430866649 /nfs/dbraw/zinc/86/66/49/430866649.db2.gz LUSODWMOHOBWNO-MRXNPFEDSA-N 1 3 315.465 2.867 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC000648724310 430870428 /nfs/dbraw/zinc/87/04/28/430870428.db2.gz QYZMUOHIBDCDSC-NXHRZFHOSA-N 1 3 317.477 2.526 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000648724310 430870431 /nfs/dbraw/zinc/87/04/31/430870431.db2.gz QYZMUOHIBDCDSC-NXHRZFHOSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@]1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1(F)F ZINC000665267526 430876265 /nfs/dbraw/zinc/87/62/65/430876265.db2.gz YHBWDPQQUXNEDS-NUEKZKHPSA-N 1 3 308.372 2.877 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000665266531 430877295 /nfs/dbraw/zinc/87/72/95/430877295.db2.gz DMSJUUXMDFBNMR-MLGOLLRUSA-N 1 3 315.392 2.642 20 0 DFADHO CC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000658189894 430837933 /nfs/dbraw/zinc/83/79/33/430837933.db2.gz ZPUCCHXTVMXAMY-WJFTUGDTSA-N 1 3 302.462 2.648 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294196 430888540 /nfs/dbraw/zinc/88/85/40/430888540.db2.gz JYVBQVLMEGZQBC-MPGHIAIKSA-N 1 3 306.450 2.598 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299915 430891198 /nfs/dbraw/zinc/89/11/98/430891198.db2.gz VILFNBNLIUCBCB-WMLDXEAASA-N 1 3 316.493 2.621 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299915 430891200 /nfs/dbraw/zinc/89/12/00/430891200.db2.gz VILFNBNLIUCBCB-WMLDXEAASA-N 1 3 316.493 2.621 20 0 DFADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)N1CCCCC1 ZINC000648845268 430911628 /nfs/dbraw/zinc/91/16/28/430911628.db2.gz QBPDIVMGIAVWGG-FUHWJXTLSA-N 1 3 323.525 2.686 20 0 DFADHO C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662148482 430980309 /nfs/dbraw/zinc/98/03/09/430980309.db2.gz KTBOQLLUQYSTQY-YWZLYKJASA-N 1 3 314.473 2.767 20 0 DFADHO Fc1ccc(CC2CC[NH+](C[C@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662257429 431019694 /nfs/dbraw/zinc/01/96/94/431019694.db2.gz OHXJZBJENFCZLA-GOSISDBHSA-N 1 3 318.436 2.601 20 0 DFADHO c1ccc(SC[C@H]2CC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256355 431019898 /nfs/dbraw/zinc/01/98/98/431019898.db2.gz IMJLILDXSCJXNX-JKSUJKDBSA-N 1 3 318.486 2.622 20 0 DFADHO c1ccc(SC[C@H]2CC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256355 431019904 /nfs/dbraw/zinc/01/99/04/431019904.db2.gz IMJLILDXSCJXNX-JKSUJKDBSA-N 1 3 318.486 2.622 20 0 DFADHO CN(CCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCC[NH2+]CC1 ZINC000662267343 431025371 /nfs/dbraw/zinc/02/53/71/431025371.db2.gz UFTKXIGUFHINJH-CYBMUJFWSA-N 1 3 312.360 2.625 20 0 DFADHO CSc1ccc(OCCN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652352113 431027298 /nfs/dbraw/zinc/02/72/98/431027298.db2.gz GTVNIHYMFNTRLX-YOEHRIQHSA-N 1 3 306.475 2.848 20 0 DFADHO CSc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000652352113 431027303 /nfs/dbraw/zinc/02/73/03/431027303.db2.gz GTVNIHYMFNTRLX-YOEHRIQHSA-N 1 3 306.475 2.848 20 0 DFADHO CSc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000652352113 431027306 /nfs/dbraw/zinc/02/73/06/431027306.db2.gz GTVNIHYMFNTRLX-YOEHRIQHSA-N 1 3 306.475 2.848 20 0 DFADHO NC[C@H]1C[N@H+](CC[C@@H]2CCc3ccccc32)CC12CCOCC2 ZINC000662272646 431028265 /nfs/dbraw/zinc/02/82/65/431028265.db2.gz GNLQVJLCDDHAIB-ROUUACIJSA-N 1 3 314.473 2.794 20 0 DFADHO NC[C@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CC12CCOCC2 ZINC000662272646 431028269 /nfs/dbraw/zinc/02/82/69/431028269.db2.gz GNLQVJLCDDHAIB-ROUUACIJSA-N 1 3 314.473 2.794 20 0 DFADHO COc1ccc(COCCN2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000652354832 431029462 /nfs/dbraw/zinc/02/94/62/431029462.db2.gz JMRIXBMAMBBRLN-YJBOKZPZSA-N 1 3 306.450 2.661 20 0 DFADHO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)c1 ZINC000662278257 431030830 /nfs/dbraw/zinc/03/08/30/431030830.db2.gz DBBGCMSOVIKQJM-WMZOPIPTSA-N 1 3 300.446 2.961 20 0 DFADHO Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)c1 ZINC000662278257 431030835 /nfs/dbraw/zinc/03/08/35/431030835.db2.gz DBBGCMSOVIKQJM-WMZOPIPTSA-N 1 3 300.446 2.961 20 0 DFADHO CC(C)(C)c1ccc2c(c1)CN(C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662281716 431032592 /nfs/dbraw/zinc/03/25/92/431032592.db2.gz ZPFMNEFSOMRMGS-GOSISDBHSA-N 1 3 314.473 2.863 20 0 DFADHO COCC[C@@H]1CCCC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662281982 431033319 /nfs/dbraw/zinc/03/33/19/431033319.db2.gz NCOSQLDPDREZAB-INIZCTEOSA-N 1 3 302.462 2.971 20 0 DFADHO COCC[C@@H]1CCCC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662281982 431033322 /nfs/dbraw/zinc/03/33/22/431033322.db2.gz NCOSQLDPDREZAB-INIZCTEOSA-N 1 3 302.462 2.971 20 0 DFADHO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662281703 431033430 /nfs/dbraw/zinc/03/34/30/431033430.db2.gz LCYPJYUNYBEYSZ-BZSNNMDCSA-N 1 3 300.446 2.508 20 0 DFADHO OCC1(NCCCSc2ccccc2Cl)CC[NH2+]CC1 ZINC000662287053 431035850 /nfs/dbraw/zinc/03/58/50/431035850.db2.gz QZBNEBIIXRHWLX-UHFFFAOYSA-N 1 3 314.882 2.526 20 0 DFADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NC1CCCCCC1 ZINC000662293649 431036097 /nfs/dbraw/zinc/03/60/97/431036097.db2.gz HFFCYKIADBDMDO-KRWDZBQOSA-N 1 3 321.509 2.537 20 0 DFADHO CC(=O)Nc1cccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662294969 431036136 /nfs/dbraw/zinc/03/61/36/431036136.db2.gz XQNSCOVNTAEAPP-GOSISDBHSA-N 1 3 315.461 2.857 20 0 DFADHO C[C@@H]1CCCN(Cc2cn(-c3ccccc3)nn2)[C@@H]1CCC[NH3+] ZINC000662311207 431042754 /nfs/dbraw/zinc/04/27/54/431042754.db2.gz AFSQLKKOZHHELP-CRAIPNDOSA-N 1 3 313.449 2.607 20 0 DFADHO CC[C@@H](NC)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000662388448 431069894 /nfs/dbraw/zinc/06/98/94/431069894.db2.gz PJFLIAZRTHULMV-QGZVFWFLSA-N 1 3 303.450 2.855 20 0 DFADHO Cc1ccccc1CN1CCCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000649287474 431058068 /nfs/dbraw/zinc/05/80/68/431058068.db2.gz ILNVCSROXYQUJT-UHFFFAOYSA-N 1 3 317.477 2.547 20 0 DFADHO C[NH+](C)Cc1ccc(NC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000662375661 431064790 /nfs/dbraw/zinc/06/47/90/431064790.db2.gz QYJLGYFIUSWHQA-GOSISDBHSA-N 1 3 309.413 2.921 20 0 DFADHO C[NH+](C)CCc1ccc(NC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000659284278 431012719 /nfs/dbraw/zinc/01/27/19/431012719.db2.gz CVDVJPQPESRYEP-LJQANCHMSA-N 1 3 323.440 2.964 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@@H]([NH3+])C(C)C)c1ccsc1 ZINC000645485335 431013598 /nfs/dbraw/zinc/01/35/98/431013598.db2.gz JQLUDZZUHCBMAI-HUUCEWRRSA-N 1 3 311.495 2.621 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCCN(CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662244451 431013613 /nfs/dbraw/zinc/01/36/13/431013613.db2.gz GXDDKYJCPVOBKY-YPMHNXCESA-N 1 3 312.360 2.610 20 0 DFADHO C[C@H]([NH3+])c1ccc(CNC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000659292143 431014318 /nfs/dbraw/zinc/01/43/18/431014318.db2.gz OMRMRCGUPXPOTE-UGSOOPFHSA-N 1 3 309.413 2.557 20 0 DFADHO Cc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1C ZINC000662253828 431015374 /nfs/dbraw/zinc/01/53/74/431015374.db2.gz WZIZKQMHEJCNQF-QZTJIDSGSA-N 1 3 300.446 2.961 20 0 DFADHO Cc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1C ZINC000662253828 431015375 /nfs/dbraw/zinc/01/53/75/431015375.db2.gz WZIZKQMHEJCNQF-QZTJIDSGSA-N 1 3 300.446 2.961 20 0 DFADHO C[C@@H]1C[C@@H](c2ccccc2F)N(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253977 431015706 /nfs/dbraw/zinc/01/57/06/431015706.db2.gz CTZCVLQARFBKDA-CPUCHLNUSA-N 1 3 304.409 2.730 20 0 DFADHO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662249927 431016447 /nfs/dbraw/zinc/01/64/47/431016447.db2.gz VLICTKVZKJHBQI-YJBOKZPZSA-N 1 3 300.446 2.808 20 0 DFADHO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662249927 431016448 /nfs/dbraw/zinc/01/64/48/431016448.db2.gz VLICTKVZKJHBQI-YJBOKZPZSA-N 1 3 300.446 2.808 20 0 DFADHO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662254043 431017374 /nfs/dbraw/zinc/01/73/74/431017374.db2.gz DPOPYCDNDXFQBY-BBRMVZONSA-N 1 3 308.853 2.724 20 0 DFADHO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662254043 431017376 /nfs/dbraw/zinc/01/73/76/431017376.db2.gz DPOPYCDNDXFQBY-BBRMVZONSA-N 1 3 308.853 2.724 20 0 DFADHO C[C@H]([NH2+]CCC1(CO)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000652310385 431017519 /nfs/dbraw/zinc/01/75/19/431017519.db2.gz FJFVAFKOYXCQOQ-INIZCTEOSA-N 1 3 320.477 2.830 20 0 DFADHO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662258320 431018790 /nfs/dbraw/zinc/01/87/90/431018790.db2.gz VSPYBNCKZHGAOQ-QZTJIDSGSA-N 1 3 302.462 2.769 20 0 DFADHO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662258320 431018792 /nfs/dbraw/zinc/01/87/92/431018792.db2.gz VSPYBNCKZHGAOQ-QZTJIDSGSA-N 1 3 302.462 2.769 20 0 DFADHO CC[C@H](NC)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662416423 431076718 /nfs/dbraw/zinc/07/67/18/431076718.db2.gz CRDHIYCTFFRTRS-KRWDZBQOSA-N 1 3 303.450 2.999 20 0 DFADHO CC(C)C[C@@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000649377961 431081690 /nfs/dbraw/zinc/08/16/90/431081690.db2.gz GYZOALGXEDMZMG-FUHWJXTLSA-N 1 3 323.525 2.863 20 0 DFADHO CC(C)C[C@@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000649377961 431081697 /nfs/dbraw/zinc/08/16/97/431081697.db2.gz GYZOALGXEDMZMG-FUHWJXTLSA-N 1 3 323.525 2.863 20 0 DFADHO CCN1C[C@H](CN(C)CC[C@H]2CCC[NH2+]C2)Oc2ccccc21 ZINC000649411426 431093728 /nfs/dbraw/zinc/09/37/28/431093728.db2.gz WPNHOYXTYUTGBA-SJORKVTESA-N 1 3 317.477 2.595 20 0 DFADHO [NH3+][C@@H](CCC(=O)N[C@@H]1CCN(CC2CC2)C1)CC1CCCCC1 ZINC000645953393 431129245 /nfs/dbraw/zinc/12/92/45/431129245.db2.gz RSPFGIRLGAPXNQ-ZWKOTPCHSA-N 1 3 321.509 2.665 20 0 DFADHO [NH3+][C@@H](CCC(=O)N[C@H]1CCN(CC2CC2)C1)CC1CCCCC1 ZINC000645953392 431129662 /nfs/dbraw/zinc/12/96/62/431129662.db2.gz RSPFGIRLGAPXNQ-ROUUACIJSA-N 1 3 321.509 2.665 20 0 DFADHO CC[N@H+](CC[C@H]1CCCN1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000120621250 279212402 /nfs/dbraw/zinc/21/24/02/279212402.db2.gz FHWBPSFYSAIUJN-GOSISDBHSA-N 1 3 317.477 2.695 20 0 DFADHO CC[N@@H+](CC[C@H]1CCCN1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000120621250 279212403 /nfs/dbraw/zinc/21/24/03/279212403.db2.gz FHWBPSFYSAIUJN-GOSISDBHSA-N 1 3 317.477 2.695 20 0 DFADHO CC[NH+]1CCC(NC[C@@]2(CC)OCCc3ccccc32)CC1 ZINC000289801369 279262217 /nfs/dbraw/zinc/26/22/17/279262217.db2.gz NWUMNXWTIRTPBT-LJQANCHMSA-N 1 3 302.462 2.939 20 0 DFADHO C[C@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)CN(C)C ZINC000293805690 279346170 /nfs/dbraw/zinc/34/61/70/279346170.db2.gz VHLNMCPUAGYWBO-TZGCNFNXSA-N 1 3 315.461 2.606 20 0 DFADHO CCCN1CC[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662704284 431167439 /nfs/dbraw/zinc/16/74/39/431167439.db2.gz YHGYSKCIJPHBBF-IAGOWNOFSA-N 1 3 309.498 2.665 20 0 DFADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cc(O)ccc2Br)C1 ZINC000655827561 431173877 /nfs/dbraw/zinc/17/38/77/431173877.db2.gz UCYYXAGXAVWHAI-KLPPZKSPSA-N 1 3 313.239 2.585 20 0 DFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662730129 431178290 /nfs/dbraw/zinc/17/82/90/431178290.db2.gz SCBPPFVHOSRHQV-HNNXBMFYSA-N 1 3 321.509 2.665 20 0 DFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662730129 431178295 /nfs/dbraw/zinc/17/82/95/431178295.db2.gz SCBPPFVHOSRHQV-HNNXBMFYSA-N 1 3 321.509 2.665 20 0 DFADHO C[NH+]1CCC2(CC1)CN(CCCCc1ccccc1)CCO2 ZINC000646105787 431189498 /nfs/dbraw/zinc/18/94/98/431189498.db2.gz HSUDQTCUXSBATE-UHFFFAOYSA-N 1 3 302.462 2.806 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)c1ccsc1 ZINC000662678848 431160277 /nfs/dbraw/zinc/16/02/77/431160277.db2.gz JYTQJFPHIIFIDA-GJZGRUSLSA-N 1 3 323.506 2.635 20 0 DFADHO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000666418926 431221424 /nfs/dbraw/zinc/22/14/24/431221424.db2.gz ITBJROQMDFEWQC-DNVCBOLYSA-N 1 3 320.477 2.920 20 0 DFADHO CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000646193827 431222219 /nfs/dbraw/zinc/22/22/19/431222219.db2.gz BAWBGPHSAAZCLB-DLBZAZTESA-N 1 3 321.509 2.761 20 0 DFADHO CC(C)[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)CCCO1 ZINC000646299620 431258302 /nfs/dbraw/zinc/25/83/02/431258302.db2.gz BUOWESYVDTUHGS-IBGZPJMESA-N 1 3 320.477 2.874 20 0 DFADHO CCC(C)(C)N1CCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000655945946 431226171 /nfs/dbraw/zinc/22/61/71/431226171.db2.gz IEUWMEYGCFEJLC-QGZVFWFLSA-N 1 3 319.493 2.544 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000653043217 431240287 /nfs/dbraw/zinc/24/02/87/431240287.db2.gz HYUHCLLZRKHDIX-ZWKOTPCHSA-N 1 3 317.477 2.575 20 0 DFADHO CC(C)N(C)C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000660066380 431254602 /nfs/dbraw/zinc/25/46/02/431254602.db2.gz ZHZCXQOZSWZEKY-MSOLQXFVSA-N 1 3 308.441 2.958 20 0 DFADHO CO[C@H](CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C1CCCCC1 ZINC000660118448 431276357 /nfs/dbraw/zinc/27/63/57/431276357.db2.gz UYOOKTZGWVLOOS-WJFTUGDTSA-N 1 3 324.509 2.765 20 0 DFADHO CN1CCC(N2CC[C@H]([N@H+](C)C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CC1 ZINC000660140647 431288170 /nfs/dbraw/zinc/28/81/70/431288170.db2.gz MTJYXBDHXJSTMN-NTDBWNAOSA-N 1 3 305.510 2.523 20 0 DFADHO CN1CCC(N2CC[C@H]([N@@H+](C)C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CC1 ZINC000660140647 431288178 /nfs/dbraw/zinc/28/81/78/431288178.db2.gz MTJYXBDHXJSTMN-NTDBWNAOSA-N 1 3 305.510 2.523 20 0 DFADHO CC(C)C[N@H+](C)CCCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000653176118 431293511 /nfs/dbraw/zinc/29/35/11/431293511.db2.gz KNROBPHAQPEGEG-KRWDZBQOSA-N 1 3 319.493 2.807 20 0 DFADHO CC(C)C[N@@H+](C)CCCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000653176118 431293519 /nfs/dbraw/zinc/29/35/19/431293519.db2.gz KNROBPHAQPEGEG-KRWDZBQOSA-N 1 3 319.493 2.807 20 0 DFADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000656196919 431304203 /nfs/dbraw/zinc/30/42/03/431304203.db2.gz VWABQPJKOWUPLI-NUTKFTJISA-N 1 3 301.434 2.956 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000656197279 431305967 /nfs/dbraw/zinc/30/59/67/431305967.db2.gz WWEWGYZJSCZEKQ-QYZOEREBSA-N 1 3 303.494 2.799 20 0 DFADHO [NH3+]Cc1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000646578902 431346341 /nfs/dbraw/zinc/34/63/41/431346341.db2.gz IZZZSAMGFVUWTM-UHFFFAOYSA-N 1 3 309.413 2.993 20 0 DFADHO Fc1ccc(CCN2CCC([NH2+]C[C@@H]3CCCCN3)CC2)cc1 ZINC000666770265 431350790 /nfs/dbraw/zinc/35/07/90/431350790.db2.gz QNSFIWPYYQBFRS-IBGZPJMESA-N 1 3 319.468 2.564 20 0 DFADHO Fc1ccc(CN[C@H]2CC23CC[NH2+]CC3)cc1Br ZINC000666950963 431418727 /nfs/dbraw/zinc/41/87/27/431418727.db2.gz UCWWJRWCCGLEPH-ZDUSSCGKSA-N 1 3 313.214 2.820 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000653525838 431419914 /nfs/dbraw/zinc/41/99/14/431419914.db2.gz INIBHCIDVBNFDU-RBUKOAKNSA-N 1 3 304.478 2.562 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000653525838 431419923 /nfs/dbraw/zinc/41/99/23/431419923.db2.gz INIBHCIDVBNFDU-RBUKOAKNSA-N 1 3 304.478 2.562 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC23CCOCC3)C[C@H](C)O1 ZINC000367066095 288160083 /nfs/dbraw/zinc/16/00/83/288160083.db2.gz LODQSPCBRBWGOC-FGTMMUONSA-N 1 3 324.509 2.815 20 0 DFADHO Cn1cncc1CCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653493080 431399569 /nfs/dbraw/zinc/39/95/69/431399569.db2.gz JDZMOYCZMLDHAN-UHFFFAOYSA-N 1 3 318.509 2.941 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@@H]3C[C@@]34CCC[NH2+]C4)n2)cc1 ZINC000653490544 431401027 /nfs/dbraw/zinc/40/10/27/431401027.db2.gz MUOVMTUQCHHFMZ-MAUKXSAKSA-N 1 3 312.417 2.655 20 0 DFADHO C[NH2+]Cc1ccc(NCc2ccc(OCCN(C)C)cc2)cc1 ZINC000666906959 431403717 /nfs/dbraw/zinc/40/37/17/431403717.db2.gz RXZOBQQUPVDPGX-UHFFFAOYSA-N 1 3 313.445 2.959 20 0 DFADHO c1ccc2c(c1)CCO[C@H]2C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000656499615 431410102 /nfs/dbraw/zinc/41/01/02/431410102.db2.gz HOMIPMNOINEHBF-FQEVSTJZSA-N 1 3 323.440 2.954 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995186 431438065 /nfs/dbraw/zinc/43/80/65/431438065.db2.gz FOWWSQSXLSZTLH-CVEARBPZSA-N 1 3 315.461 2.976 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995186 431438074 /nfs/dbraw/zinc/43/80/74/431438074.db2.gz FOWWSQSXLSZTLH-CVEARBPZSA-N 1 3 315.461 2.976 20 0 DFADHO Cc1ccc(CNCC[C@@H]([NH3+])C(C)C)c(-c2ccnn2C)c1 ZINC000663501860 431446103 /nfs/dbraw/zinc/44/61/03/431446103.db2.gz BGJXIPJVFYCARI-QGZVFWFLSA-N 1 3 300.450 2.859 20 0 DFADHO CCN1CCN(c2cccc(N[C@@H](C)[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000667030919 431452054 /nfs/dbraw/zinc/45/20/54/431452054.db2.gz BVTFQBCYEUMMEW-IRXDYDNUSA-N 1 3 316.493 2.629 20 0 DFADHO CCc1ccccc1[C@@H](N)CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000647084389 431456072 /nfs/dbraw/zinc/45/60/72/431456072.db2.gz WPVZNUQWDGXZGG-AEFFLSMTSA-N 1 3 317.477 2.630 20 0 DFADHO CCc1ccccc1[C@@H](N)CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000647084389 431456079 /nfs/dbraw/zinc/45/60/79/431456079.db2.gz WPVZNUQWDGXZGG-AEFFLSMTSA-N 1 3 317.477 2.630 20 0 DFADHO CC[C@@H](NCCN(C)CCC[NH+](C)C)c1ccc(F)cc1F ZINC000656681788 431472804 /nfs/dbraw/zinc/47/28/04/431472804.db2.gz LJIKKRUCPYRACT-QGZVFWFLSA-N 1 3 313.436 2.889 20 0 DFADHO FCCOCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000663463103 431428937 /nfs/dbraw/zinc/42/89/37/431428937.db2.gz WKYKJFXEPVKJAL-GBESFXJTSA-N 1 3 320.452 2.863 20 0 DFADHO FCCOCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000663463103 431428942 /nfs/dbraw/zinc/42/89/42/431428942.db2.gz WKYKJFXEPVKJAL-GBESFXJTSA-N 1 3 320.452 2.863 20 0 DFADHO FCCOCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000663463103 431428948 /nfs/dbraw/zinc/42/89/48/431428948.db2.gz WKYKJFXEPVKJAL-GBESFXJTSA-N 1 3 320.452 2.863 20 0 DFADHO c1cc2c(cc[nH+]c2N2CC[C@H](OCCN3CCCCC3)C2)[nH]1 ZINC000663731309 431516505 /nfs/dbraw/zinc/51/65/05/431516505.db2.gz JCGZZJJORDCSNY-HNNXBMFYSA-N 1 3 314.433 2.644 20 0 DFADHO Cc1ccc2ncc(CN3CCC([C@@H]4CCC[NH2+]C4)CC3)n2c1 ZINC000656784516 431519721 /nfs/dbraw/zinc/51/97/21/431519721.db2.gz BPCOCFBYBFPEND-QGZVFWFLSA-N 1 3 312.461 2.854 20 0 DFADHO CCN(C)c1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656783358 431520147 /nfs/dbraw/zinc/52/01/47/431520147.db2.gz PWJALFULLALBTF-SFHVURJKSA-N 1 3 316.493 2.749 20 0 DFADHO Cc1nn(C(C)C)cc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782406 431520516 /nfs/dbraw/zinc/52/05/16/431520516.db2.gz GAVFFRCMSQKRAC-KRWDZBQOSA-N 1 3 304.482 2.984 20 0 DFADHO C[C@@H]1C[NH2+]C[C@@H](NC[C@H]2CCN(c3ccccc3Cl)C2)C1 ZINC000656787687 431523358 /nfs/dbraw/zinc/52/33/58/431523358.db2.gz RIANWOFARRJVRO-ZNMIVQPWSA-N 1 3 307.869 2.754 20 0 DFADHO c1cncc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCO2)c1 ZINC000647244866 431524206 /nfs/dbraw/zinc/52/42/06/431524206.db2.gz JWCWLMJAFCVXDF-BSDSXHPESA-N 1 3 301.434 2.518 20 0 DFADHO c1cncc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCO2)c1 ZINC000647244866 431524211 /nfs/dbraw/zinc/52/42/11/431524211.db2.gz JWCWLMJAFCVXDF-BSDSXHPESA-N 1 3 301.434 2.518 20 0 DFADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)NCC1([NH3+])CCCC1 ZINC000656789734 431525297 /nfs/dbraw/zinc/52/52/97/431525297.db2.gz WQVZQAIVFWDGDJ-HNNXBMFYSA-N 1 3 306.450 2.886 20 0 DFADHO c1cc([C@@H]2CNCCO2)ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000656792594 431525785 /nfs/dbraw/zinc/52/57/85/431525785.db2.gz MBKFOBOXCLLXIE-IBGZPJMESA-N 1 3 315.461 2.634 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000656700351 431486924 /nfs/dbraw/zinc/48/69/24/431486924.db2.gz HRHLOXAZFZAGOT-ROUUACIJSA-N 1 3 308.441 2.534 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000656700351 431486927 /nfs/dbraw/zinc/48/69/27/431486927.db2.gz HRHLOXAZFZAGOT-ROUUACIJSA-N 1 3 308.441 2.534 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000653762169 431515299 /nfs/dbraw/zinc/51/52/99/431515299.db2.gz YYAQTPDWZMGZSF-MSOLQXFVSA-N 1 3 302.462 2.569 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000653762169 431515303 /nfs/dbraw/zinc/51/53/03/431515303.db2.gz YYAQTPDWZMGZSF-MSOLQXFVSA-N 1 3 302.462 2.569 20 0 DFADHO CC(C)c1ccc(C[N@H+](C)CC2CCN(C)CC2)c(O)c(=O)c1 ZINC000663828333 431557290 /nfs/dbraw/zinc/55/72/90/431557290.db2.gz QQFWECDTGYSSPJ-UHFFFAOYSA-N 1 3 318.461 2.649 20 0 DFADHO CC(C)c1ccc(C[N@@H+](C)CC2CCN(C)CC2)c(O)c(=O)c1 ZINC000663828333 431557295 /nfs/dbraw/zinc/55/72/95/431557295.db2.gz QQFWECDTGYSSPJ-UHFFFAOYSA-N 1 3 318.461 2.649 20 0 DFADHO COc1cncc(/C=C/CCN2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660662412 431538741 /nfs/dbraw/zinc/53/87/41/431538741.db2.gz KAIKANAVIDGEKM-MTGFJVSHSA-N 1 3 315.461 2.911 20 0 DFADHO COc1cncc(/C=C/CCN2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660662412 431538746 /nfs/dbraw/zinc/53/87/46/431538746.db2.gz KAIKANAVIDGEKM-MTGFJVSHSA-N 1 3 315.461 2.911 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2CC2CCCC2)CC1 ZINC000653894077 431573194 /nfs/dbraw/zinc/57/31/94/431573194.db2.gz UBEGQAQKNURXNY-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO CCCN1CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657294082 431654181 /nfs/dbraw/zinc/65/41/81/431654181.db2.gz CLHYOKBQXKKUNR-IBGZPJMESA-N 1 3 318.461 2.818 20 0 DFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c(-c2ccnn2C)c1 ZINC000650709521 431656129 /nfs/dbraw/zinc/65/61/29/431656129.db2.gz DHRKGIYTKLDGOJ-PXNSSMCTSA-N 1 3 324.472 2.956 20 0 DFADHO Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c(-c2ccnn2C)c1 ZINC000650709521 431656135 /nfs/dbraw/zinc/65/61/35/431656135.db2.gz DHRKGIYTKLDGOJ-PXNSSMCTSA-N 1 3 324.472 2.956 20 0 DFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000650709521 431656140 /nfs/dbraw/zinc/65/61/40/431656140.db2.gz DHRKGIYTKLDGOJ-PXNSSMCTSA-N 1 3 324.472 2.956 20 0 DFADHO Cc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CCN)ccc1-n1cncn1 ZINC000650711012 431656583 /nfs/dbraw/zinc/65/65/83/431656583.db2.gz GHVJVOWTMWXUQG-WMLDXEAASA-N 1 3 313.449 2.525 20 0 DFADHO Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CCN)ccc1-n1cncn1 ZINC000650711012 431656590 /nfs/dbraw/zinc/65/65/90/431656590.db2.gz GHVJVOWTMWXUQG-WMLDXEAASA-N 1 3 313.449 2.525 20 0 DFADHO Cc1cc(CN2CCC[C@H](C)[C@H]2CC[NH3+])ccc1-n1cncn1 ZINC000650711012 431656595 /nfs/dbraw/zinc/65/65/95/431656595.db2.gz GHVJVOWTMWXUQG-WMLDXEAASA-N 1 3 313.449 2.525 20 0 DFADHO C[C@@H]1CCCN(Cc2ccc(C(=O)NC3CC3)cc2)[C@@H]1CC[NH3+] ZINC000650710888 431656812 /nfs/dbraw/zinc/65/68/12/431656812.db2.gz BTQNNKCEQYCMMN-RDTXWAMCSA-N 1 3 315.461 2.528 20 0 DFADHO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCN)ccc1-n1cncn1 ZINC000650711011 431658166 /nfs/dbraw/zinc/65/81/66/431658166.db2.gz GHVJVOWTMWXUQG-RHSMWYFYSA-N 1 3 313.449 2.525 20 0 DFADHO Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCN)ccc1-n1cncn1 ZINC000650711011 431658172 /nfs/dbraw/zinc/65/81/72/431658172.db2.gz GHVJVOWTMWXUQG-RHSMWYFYSA-N 1 3 313.449 2.525 20 0 DFADHO Cc1cc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1-n1cncn1 ZINC000650711011 431658175 /nfs/dbraw/zinc/65/81/75/431658175.db2.gz GHVJVOWTMWXUQG-RHSMWYFYSA-N 1 3 313.449 2.525 20 0 DFADHO COc1cccc(-c2n[nH]cc2CN2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000647492120 431605557 /nfs/dbraw/zinc/60/55/57/431605557.db2.gz GDDVJELQBFRLJK-CYBMUJFWSA-N 1 3 314.433 2.645 20 0 DFADHO Cc1ccccc1CN1CCCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000647513946 431611204 /nfs/dbraw/zinc/61/12/04/431611204.db2.gz WMYBFDPYPFCBGE-SFHVURJKSA-N 1 3 301.478 2.502 20 0 DFADHO CC(C)(C)n1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542761 431621212 /nfs/dbraw/zinc/62/12/12/431621212.db2.gz BNWGGKISVOBOTC-DLBZAZTESA-N 1 3 304.482 2.850 20 0 DFADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657286455 431648284 /nfs/dbraw/zinc/64/82/84/431648284.db2.gz XFCITJORZCRQDP-QGZVFWFLSA-N 1 3 306.450 2.532 20 0 DFADHO CCN1CCN(CCC[NH2+]Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000657308434 431666328 /nfs/dbraw/zinc/66/63/28/431666328.db2.gz SIYVGKPQFVSHCS-UHFFFAOYSA-N 1 3 314.477 2.594 20 0 DFADHO COc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722697 431666418 /nfs/dbraw/zinc/66/64/18/431666418.db2.gz ZYPOYWBHRKRZOH-NXHRZFHOSA-N 1 3 304.434 2.556 20 0 DFADHO CCc1ncc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723339 431666732 /nfs/dbraw/zinc/66/67/32/431666732.db2.gz LUBUNKUCPJYZAG-YUELXQCFSA-N 1 3 309.479 2.566 20 0 DFADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657337372 431682209 /nfs/dbraw/zinc/68/22/09/431682209.db2.gz SFIULJGGZPJSAC-MJGOQNOKSA-N 1 3 318.461 2.676 20 0 DFADHO Fc1cc(F)c(F)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1F ZINC000647789589 431688275 /nfs/dbraw/zinc/68/82/75/431688275.db2.gz HQZQDPLYZIWHDZ-KXUCPTDWSA-N 1 3 302.315 2.721 20 0 DFADHO CC(C)COC[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccco1 ZINC000647793209 431689867 /nfs/dbraw/zinc/68/98/67/431689867.db2.gz PNJIGLKHVLEDKP-NXOAAHMSSA-N 1 3 306.450 2.971 20 0 DFADHO COc1ccc(OCCCN(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814537 431696706 /nfs/dbraw/zinc/69/67/06/431696706.db2.gz SLGFOTZBAAAHMD-UHFFFAOYSA-N 1 3 304.434 2.681 20 0 DFADHO COc1ccc(OCCC[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000647814537 431696713 /nfs/dbraw/zinc/69/67/13/431696713.db2.gz SLGFOTZBAAAHMD-UHFFFAOYSA-N 1 3 304.434 2.681 20 0 DFADHO COc1ccc(OCCC[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000647814537 431696715 /nfs/dbraw/zinc/69/67/15/431696715.db2.gz SLGFOTZBAAAHMD-UHFFFAOYSA-N 1 3 304.434 2.681 20 0 DFADHO CC[NH+]1CCC(CCNCc2c(C(F)(F)F)cnn2C)CC1 ZINC000657378072 431712232 /nfs/dbraw/zinc/71/22/32/431712232.db2.gz XJBLFVYHHOFUDY-UHFFFAOYSA-N 1 3 318.387 2.651 20 0 DFADHO CC[C@H]1CN(CCC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647937435 431735811 /nfs/dbraw/zinc/73/58/11/431735811.db2.gz ZBWBEWDGWXNNBS-WFASDCNBSA-N 1 3 309.841 2.728 20 0 DFADHO OC[C@@H]([NH2+]Cc1cccc(CN2CCCCC2)c1)C1CCC1 ZINC000661154246 431752675 /nfs/dbraw/zinc/75/26/75/431752675.db2.gz OJDKBICTYNRVQJ-LJQANCHMSA-N 1 3 302.462 2.923 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000647964152 431754338 /nfs/dbraw/zinc/75/43/38/431754338.db2.gz VJCKSAOBOBXKNS-MOPGFXCFSA-N 1 3 304.478 2.741 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000647964152 431754341 /nfs/dbraw/zinc/75/43/41/431754341.db2.gz VJCKSAOBOBXKNS-MOPGFXCFSA-N 1 3 304.478 2.741 20 0 DFADHO C(c1noc2c1CCCC2)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977995 431761573 /nfs/dbraw/zinc/76/15/73/431761573.db2.gz KTOQTNBTLVAEPG-GJZGRUSLSA-N 1 3 303.450 2.765 20 0 DFADHO FC(F)(F)CO[C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000647879809 431717007 /nfs/dbraw/zinc/71/70/07/431717007.db2.gz ATDFQSSLHHYPDB-CQSZACIVSA-N 1 3 308.388 2.810 20 0 DFADHO CC(C)[NH+](CCCNC[C@@H]1CCO[C@H]1c1cnn(C)c1)C(C)C ZINC000657384935 431717905 /nfs/dbraw/zinc/71/79/05/431717905.db2.gz WGHAETBBWXSUGQ-FUHWJXTLSA-N 1 3 322.497 2.596 20 0 DFADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cccc(F)c2OC(F)F)C1 ZINC000657505429 431790426 /nfs/dbraw/zinc/79/04/26/431790426.db2.gz ZAKHRRNXUINGNZ-KLPPZKSPSA-N 1 3 302.340 2.857 20 0 DFADHO COc1ccccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657536954 431800903 /nfs/dbraw/zinc/80/09/03/431800903.db2.gz VGENWPOSUUTSGX-UHFFFAOYSA-N 1 3 318.461 2.676 20 0 DFADHO Cc1nn(-c2ccncc2)cc1CN[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564704 431809641 /nfs/dbraw/zinc/80/96/41/431809641.db2.gz YSXBNGUYUPEAOO-INIZCTEOSA-N 1 3 313.449 2.538 20 0 DFADHO Cc1nn(-c2ccncc2)cc1CN[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564704 431809646 /nfs/dbraw/zinc/80/96/46/431809646.db2.gz YSXBNGUYUPEAOO-INIZCTEOSA-N 1 3 313.449 2.538 20 0 DFADHO Cc1nn(-c2ccncc2)cc1C[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000657564704 431809651 /nfs/dbraw/zinc/80/96/51/431809651.db2.gz YSXBNGUYUPEAOO-INIZCTEOSA-N 1 3 313.449 2.538 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CCCC3(CCCC3)CC2)CC1 ZINC000661228856 431785273 /nfs/dbraw/zinc/78/52/73/431785273.db2.gz WDXXQTVBYAOYJE-UHFFFAOYSA-N 1 3 321.509 2.633 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)C1 ZINC000657596605 431820318 /nfs/dbraw/zinc/82/03/18/431820318.db2.gz XSKMHHGLABMOLA-LPHOPBHVSA-N 1 3 300.446 2.699 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000299272642 282024127 /nfs/dbraw/zinc/02/41/27/282024127.db2.gz UXDQVNFLNYBQHF-ZBFHGGJFSA-N 1 3 305.466 2.572 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cncn1C ZINC000153591180 289051806 /nfs/dbraw/zinc/05/18/06/289051806.db2.gz DYYZCNVPYMTPPO-HOTGVXAUSA-N 1 3 312.461 2.666 20 0 DFADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000363335386 289078856 /nfs/dbraw/zinc/07/88/56/289078856.db2.gz PLIKQSNIZUPAQK-PBHICJAKSA-N 1 3 323.506 2.587 20 0 DFADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000363335386 289078860 /nfs/dbraw/zinc/07/88/60/289078860.db2.gz PLIKQSNIZUPAQK-PBHICJAKSA-N 1 3 323.506 2.587 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000262364155 289364864 /nfs/dbraw/zinc/36/48/64/289364864.db2.gz WRUDCBOIKNMEMT-FCGDIQPGSA-N 1 3 301.478 2.800 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000435940454 296980649 /nfs/dbraw/zinc/98/06/49/296980649.db2.gz RCPMAFXVJKIAMQ-JYJNAYRXSA-N 1 3 309.498 2.579 20 0 DFADHO COC[C@H](C)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000177566115 293006123 /nfs/dbraw/zinc/00/61/23/293006123.db2.gz NRNWPDWDMLGRDA-MRXNPFEDSA-N 1 3 319.493 2.589 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CNCc1c[nH]nc1-c1ccsc1 ZINC000436285344 296996269 /nfs/dbraw/zinc/99/62/69/296996269.db2.gz OCWHPUCFAGZOGP-HNNXBMFYSA-N 1 3 322.478 2.585 20 0 DFADHO Cc1nc(C)c(CC[NH2+]C2CCN(c3ccncc3)CC2)s1 ZINC000436471836 297004908 /nfs/dbraw/zinc/00/49/08/297004908.db2.gz VTPMNDIMJACIGR-UHFFFAOYSA-N 1 3 316.474 2.956 20 0 DFADHO C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1cccc(OCCN(C)C)c1 ZINC000437074376 297053628 /nfs/dbraw/zinc/05/36/28/297053628.db2.gz IREGACGGCCFTQJ-MRXNPFEDSA-N 1 3 319.493 2.762 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437848970 297071897 /nfs/dbraw/zinc/07/18/97/297071897.db2.gz XILHEGPOVKHPFS-QZTJIDSGSA-N 1 3 321.509 2.774 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437848970 297071899 /nfs/dbraw/zinc/07/18/99/297071899.db2.gz XILHEGPOVKHPFS-QZTJIDSGSA-N 1 3 321.509 2.774 20 0 DFADHO COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000296074761 295236307 /nfs/dbraw/zinc/23/63/07/295236307.db2.gz WWPHYSCSCLFWQY-WWTUQBGBSA-N 1 3 304.434 2.980 20 0 DFADHO CC(C)C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccn1 ZINC000154345438 295297469 /nfs/dbraw/zinc/29/74/69/295297469.db2.gz ZWOSWEQWXALVND-LJQANCHMSA-N 1 3 318.509 2.786 20 0 DFADHO CC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(OC)c1 ZINC000154355634 295297949 /nfs/dbraw/zinc/29/79/49/295297949.db2.gz HQALMDNUKDTGRL-LJQANCHMSA-N 1 3 319.493 2.764 20 0 DFADHO COc1ccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1F ZINC000154364417 295298648 /nfs/dbraw/zinc/29/86/48/295298648.db2.gz LHFNZNAPNWTEAM-HNNXBMFYSA-N 1 3 323.456 2.513 20 0 DFADHO CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000158147599 295359107 /nfs/dbraw/zinc/35/91/07/295359107.db2.gz QYFGGBXMYSCVGU-GDBMZVCRSA-N 1 3 304.434 2.840 20 0 DFADHO CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000158147599 295359110 /nfs/dbraw/zinc/35/91/10/295359110.db2.gz QYFGGBXMYSCVGU-GDBMZVCRSA-N 1 3 304.434 2.840 20 0 DFADHO CC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1 ZINC000370623968 295461443 /nfs/dbraw/zinc/46/14/43/295461443.db2.gz DZPZLVOEBXHHIR-MJGOQNOKSA-N 1 3 301.478 2.896 20 0 DFADHO CC(CCN1[C@H](C)COC[C@H]1C)CC[NH+]1[C@H](C)COC[C@H]1C ZINC000411279758 295535030 /nfs/dbraw/zinc/53/50/30/295535030.db2.gz CPOQESGOWCNVNE-BRSBDYLESA-N 1 3 312.498 2.621 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000411516166 295543717 /nfs/dbraw/zinc/54/37/17/295543717.db2.gz JHNOQWDSPVOFFM-HZPDHXFCSA-N 1 3 323.525 2.781 20 0 DFADHO CN(C)Cc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000412556919 295633652 /nfs/dbraw/zinc/63/36/52/295633652.db2.gz HAEIRTJOSKJIKE-UHFFFAOYSA-N 1 3 319.424 2.700 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC000438565723 297099030 /nfs/dbraw/zinc/09/90/30/297099030.db2.gz FJMOQIAEFWNKSO-GOSISDBHSA-N 1 3 321.509 2.774 20 0 DFADHO COC(=O)CC1(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000440498648 297154643 /nfs/dbraw/zinc/15/46/43/297154643.db2.gz ZHTJPVQDXSVZLW-CABCVRRESA-N 1 3 308.466 2.572 20 0 DFADHO COC(=O)CC1(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000440498648 297154644 /nfs/dbraw/zinc/15/46/44/297154644.db2.gz ZHTJPVQDXSVZLW-CABCVRRESA-N 1 3 308.466 2.572 20 0 DFADHO COC(=O)CC1(C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000440498648 297154645 /nfs/dbraw/zinc/15/46/45/297154645.db2.gz ZHTJPVQDXSVZLW-CABCVRRESA-N 1 3 308.466 2.572 20 0 DFADHO CO[C@@H]1CCN(C[C@@H](C)C[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441373721 297181502 /nfs/dbraw/zinc/18/15/02/297181502.db2.gz CJOVXANROZFGMP-KFGODFMUSA-N 1 3 312.498 2.621 20 0 DFADHO CO[C@@H]1CCN(C[C@@H](C)C[N@H+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441373721 297181503 /nfs/dbraw/zinc/18/15/03/297181503.db2.gz CJOVXANROZFGMP-KFGODFMUSA-N 1 3 312.498 2.621 20 0 DFADHO CO[C@@H]1CC[N@@H+](C[C@@H](C)CN2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441373721 297181504 /nfs/dbraw/zinc/18/15/04/297181504.db2.gz CJOVXANROZFGMP-KFGODFMUSA-N 1 3 312.498 2.621 20 0 DFADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1cccc2ccccc21 ZINC000442750739 297204427 /nfs/dbraw/zinc/20/44/27/297204427.db2.gz BKMYLKATYPWJCE-CABCVRRESA-N 1 3 311.429 2.838 20 0 DFADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000442750739 297204429 /nfs/dbraw/zinc/20/44/29/297204429.db2.gz BKMYLKATYPWJCE-CABCVRRESA-N 1 3 311.429 2.838 20 0 DFADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000442750739 297204430 /nfs/dbraw/zinc/20/44/30/297204430.db2.gz BKMYLKATYPWJCE-CABCVRRESA-N 1 3 311.429 2.838 20 0 DFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(F)cc(F)c1 ZINC000442879540 297209069 /nfs/dbraw/zinc/20/90/69/297209069.db2.gz WOVZECUBBDLPCJ-ZDUSSCGKSA-N 1 3 311.420 2.641 20 0 DFADHO Cc1cccc2c1CC[C@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442874495 297209158 /nfs/dbraw/zinc/20/91/58/297209158.db2.gz QPGCNWXATFKHPL-GOSISDBHSA-N 1 3 301.478 2.598 20 0 DFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443058231 297213895 /nfs/dbraw/zinc/21/38/95/297213895.db2.gz MRMCBMOEUCSWDQ-AEFFLSMTSA-N 1 3 317.477 2.657 20 0 DFADHO CC1CCC(N(C(=O)CN2CCC[C@H](CC[NH3+])C2)C2CC2)CC1 ZINC000443059035 297214007 /nfs/dbraw/zinc/21/40/07/297214007.db2.gz LQDDYMHGTVJBEZ-AQFXKWCLSA-N 1 3 321.509 2.617 20 0 DFADHO [NH3+]CC[C@H]1CCCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000443065994 297214732 /nfs/dbraw/zinc/21/47/32/297214732.db2.gz DDAJYNJWHISNPI-CZUORRHYSA-N 1 3 321.852 2.506 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(CCN(C)c2ccccc2)C1 ZINC000444266434 297234528 /nfs/dbraw/zinc/23/45/28/297234528.db2.gz CTKVWFSCZPOWQQ-IBGZPJMESA-N 1 3 319.493 2.556 20 0 DFADHO CC[NH+]1CCC(N2CCCN(Cc3cccs3)CC2)CC1 ZINC000445517387 297262247 /nfs/dbraw/zinc/26/22/47/297262247.db2.gz BNXLIAKTLGSWEX-UHFFFAOYSA-N 1 3 307.507 2.740 20 0 DFADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CCCC2)c2ccccc21 ZINC000447529894 297306902 /nfs/dbraw/zinc/30/69/02/297306902.db2.gz LKONAVSPYANCIM-MNEFBYGVSA-N 1 3 302.462 2.917 20 0 DFADHO CC[C@@H](NCCOCC[NH+](C)C)c1cc(Cl)ccc1OC ZINC000447593377 297309878 /nfs/dbraw/zinc/30/98/78/297309878.db2.gz RMQSNRBJHXBTCN-OAHLLOKOSA-N 1 3 314.857 2.968 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(C)cc2OC)C1 ZINC000449038993 297395712 /nfs/dbraw/zinc/39/57/12/297395712.db2.gz YGZXUMCJSOMMJX-SFHVURJKSA-N 1 3 320.477 2.936 20 0 DFADHO Cc1cccc(CCN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000449048571 297397516 /nfs/dbraw/zinc/39/75/16/297397516.db2.gz PWAKVBHXAMCJOC-GUDVDZBRSA-N 1 3 302.462 2.721 20 0 DFADHO C[C@@H](CN(C)C)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449322886 297445686 /nfs/dbraw/zinc/44/56/86/297445686.db2.gz ZPSLJTCTAIENKB-IRXDYDNUSA-N 1 3 303.494 2.622 20 0 DFADHO C[C@H](Cc1ccoc1)NCc1ccncc1OCCC[NH+](C)C ZINC000449327783 297446822 /nfs/dbraw/zinc/44/68/22/297446822.db2.gz GGVKRHXVHJCDJQ-OAHLLOKOSA-N 1 3 317.433 2.726 20 0 DFADHO CC[NH+](CC)CCCC1CCN(Cc2cccnc2N)CC1 ZINC000450714573 297674129 /nfs/dbraw/zinc/67/41/29/297674129.db2.gz HOWROGNRDGMMNS-UHFFFAOYSA-N 1 3 304.482 2.998 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)CN1CCCCC1)CO2 ZINC000453061241 298058663 /nfs/dbraw/zinc/05/86/63/298058663.db2.gz NMIBSZKODQTGHF-RDJZCZTQSA-N 1 3 318.461 2.710 20 0 DFADHO CN(C)CCN1CCC([NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453087851 298060500 /nfs/dbraw/zinc/06/05/00/298060500.db2.gz QFJMYAZCQVIHQD-UHFFFAOYSA-N 1 3 315.505 2.550 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000453298254 298081177 /nfs/dbraw/zinc/08/11/77/298081177.db2.gz SFLKYVHMBXSGFV-RHSMWYFYSA-N 1 3 306.450 2.845 20 0 DFADHO O[C@H]1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453356085 298086736 /nfs/dbraw/zinc/08/67/36/298086736.db2.gz HTHVCVVTQHAAJC-RHQZKXFESA-N 1 3 300.446 2.543 20 0 DFADHO O[C@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453356085 298086738 /nfs/dbraw/zinc/08/67/38/298086738.db2.gz HTHVCVVTQHAAJC-RHQZKXFESA-N 1 3 300.446 2.543 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnc(C)cc2C)[C@@H](C)C1 ZINC000453367156 298087218 /nfs/dbraw/zinc/08/72/18/298087218.db2.gz PRICJADTEQDOGV-QFBILLFUSA-N 1 3 319.493 2.925 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(OCCN(C)C)cc1 ZINC000453401791 298090491 /nfs/dbraw/zinc/09/04/91/298090491.db2.gz FCYKCPWVOBUVSK-IIDMSEBBSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@@H](c1cccc(F)c1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000455653608 298396395 /nfs/dbraw/zinc/39/63/95/298396395.db2.gz JLJULJMOOFGYLZ-HNNXBMFYSA-N 1 3 305.441 2.504 20 0 DFADHO c1ccc(-c2nnc([C@H]3CCC[N@H+]3CC3CC[NH2+]CC3)[n-]2)cc1 ZINC000455664120 298398793 /nfs/dbraw/zinc/39/87/93/298398793.db2.gz SZIWSDVLHXODEA-MRXNPFEDSA-N 1 3 311.433 2.608 20 0 DFADHO c1ccc(-c2nnc([C@H]3CCC[N@@H+]3CC3CC[NH2+]CC3)[n-]2)cc1 ZINC000455664120 298398794 /nfs/dbraw/zinc/39/87/94/298398794.db2.gz SZIWSDVLHXODEA-MRXNPFEDSA-N 1 3 311.433 2.608 20 0 DFADHO CC[C@@H](NC[C@H](C)C[NH2+]C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497144232 300168629 /nfs/dbraw/zinc/16/86/29/300168629.db2.gz IYYLDQQULIHXOU-RBSFLKMASA-N 1 3 313.486 2.610 20 0 DFADHO CCn1nccc1CCN[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000503220773 300219814 /nfs/dbraw/zinc/21/98/14/300219814.db2.gz IPSYPVFFQPMLEB-FUHWJXTLSA-N 1 3 306.498 2.936 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccnn1CC ZINC000503220773 300219816 /nfs/dbraw/zinc/21/98/16/300219816.db2.gz IPSYPVFFQPMLEB-FUHWJXTLSA-N 1 3 306.498 2.936 20 0 DFADHO O[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000507461395 300235650 /nfs/dbraw/zinc/23/56/50/300235650.db2.gz LUHLBRUZSLPQSK-LASHMREHSA-N 1 3 314.473 2.790 20 0 DFADHO c1ccc2c(c1)CC[C@H](NC1CC[NH+](CC3CC3)CC1)CO2 ZINC000511019528 300248070 /nfs/dbraw/zinc/24/80/70/300248070.db2.gz TWUAHVBXIBMVQP-SFHVURJKSA-N 1 3 300.446 2.844 20 0 DFADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1ccccc1 ZINC000513045232 300256888 /nfs/dbraw/zinc/25/68/88/300256888.db2.gz CXENLWAFFLBVEX-WBVHZDCISA-N 1 3 303.450 2.868 20 0 DFADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1ccccc1 ZINC000513045232 300256890 /nfs/dbraw/zinc/25/68/90/300256890.db2.gz CXENLWAFFLBVEX-WBVHZDCISA-N 1 3 303.450 2.868 20 0 DFADHO C[C@@H]1C[C@H](CCNCc2ccnn2C)C[N@@H+]1Cc1ccccc1 ZINC000513493588 300257722 /nfs/dbraw/zinc/25/77/22/300257722.db2.gz BNXFQEUTLLGBTN-AEFFLSMTSA-N 1 3 312.461 2.810 20 0 DFADHO C[C@@H]1C[C@H](CCNCc2ccnn2C)C[N@H+]1Cc1ccccc1 ZINC000513493588 300257728 /nfs/dbraw/zinc/25/77/28/300257728.db2.gz BNXFQEUTLLGBTN-AEFFLSMTSA-N 1 3 312.461 2.810 20 0 DFADHO Cc1cc(C[NH+]2CCC(CN3CCN(C)CC3)CC2)c(C)s1 ZINC000514891835 300277918 /nfs/dbraw/zinc/27/79/18/300277918.db2.gz XEERZCPMZZOGST-UHFFFAOYSA-N 1 3 321.534 2.824 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@@H](C)[C@H]3CCC[NH2+]C3)C2)c1 ZINC000514930475 300279903 /nfs/dbraw/zinc/27/99/03/300279903.db2.gz IIKSZSYBDCDBER-ULQDDVLXSA-N 1 3 317.477 2.642 20 0 DFADHO C[C@H]1CCN(CCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000515062650 300288439 /nfs/dbraw/zinc/28/84/39/300288439.db2.gz KGEPKMCCISGBSM-DOTOQJQBSA-N 1 3 309.498 2.522 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000515074774 300289441 /nfs/dbraw/zinc/28/94/41/300289441.db2.gz YHVJTXMGJJNURU-MSOLQXFVSA-N 1 3 312.461 2.973 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000515074774 300289443 /nfs/dbraw/zinc/28/94/43/300289443.db2.gz YHVJTXMGJJNURU-MSOLQXFVSA-N 1 3 312.461 2.973 20 0 DFADHO CCN(CC)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000515413255 300305667 /nfs/dbraw/zinc/30/56/67/300305667.db2.gz QOAXOKUHKCRNSP-IHPCNDPISA-N 1 3 317.521 2.917 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCCNC2)c1C ZINC000516423629 300342257 /nfs/dbraw/zinc/34/22/57/300342257.db2.gz BBKUIQHZAWQKLN-ZBFHGGJFSA-N 1 3 303.450 2.752 20 0 DFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000531685685 301104281 /nfs/dbraw/zinc/10/42/81/301104281.db2.gz NADSFYCXQYPWHS-AWEZNQCLSA-N 1 3 311.420 2.643 20 0 DFADHO CC[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C1CCOCC1 ZINC000531955666 301120933 /nfs/dbraw/zinc/12/09/33/301120933.db2.gz PNSHPANUZKMLCS-LJQANCHMSA-N 1 3 320.477 2.922 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ccc(C)o2)[C@H](C)C1 ZINC000532195812 301136126 /nfs/dbraw/zinc/13/61/26/301136126.db2.gz JCZNFLLDPLOLFZ-CRAIPNDOSA-N 1 3 308.466 2.857 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ccc(C)o2)[C@H](C)C1 ZINC000532195812 301136128 /nfs/dbraw/zinc/13/61/28/301136128.db2.gz JCZNFLLDPLOLFZ-CRAIPNDOSA-N 1 3 308.466 2.857 20 0 DFADHO C[C@H]1CCN(CCNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000532531762 301158721 /nfs/dbraw/zinc/15/87/21/301158721.db2.gz CLZAYBRWLHNTJU-ZIFCJYIRSA-N 1 3 307.526 2.961 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1CCCCC1(C)C ZINC000532790656 301172125 /nfs/dbraw/zinc/17/21/25/301172125.db2.gz VMZRHRKOQLWBOD-INIZCTEOSA-N 1 3 311.514 2.545 20 0 DFADHO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000532967388 301179378 /nfs/dbraw/zinc/17/93/78/301179378.db2.gz AWNGWRDNBIRVAJ-CRAIPNDOSA-N 1 3 321.509 2.630 20 0 DFADHO CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000532967388 301179382 /nfs/dbraw/zinc/17/93/82/301179382.db2.gz AWNGWRDNBIRVAJ-CRAIPNDOSA-N 1 3 321.509 2.630 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CC1CCC(C)(C)CC1 ZINC000533110987 301186883 /nfs/dbraw/zinc/18/68/83/301186883.db2.gz YWYVDIQOEDNLOQ-UHFFFAOYSA-N 1 3 311.514 2.545 20 0 DFADHO C[N@H+](C[C@@H]1CCCOC1)[C@H]1CCCN(C[C@@H]2CCCOC2)CC1 ZINC000533606410 301210189 /nfs/dbraw/zinc/21/01/89/301210189.db2.gz GTBOEDOMYNCUTA-FHWLQOOXSA-N 1 3 324.509 2.626 20 0 DFADHO C[N@@H+](C[C@@H]1CCCOC1)[C@H]1CCCN(C[C@@H]2CCCOC2)CC1 ZINC000533606410 301210192 /nfs/dbraw/zinc/21/01/92/301210192.db2.gz GTBOEDOMYNCUTA-FHWLQOOXSA-N 1 3 324.509 2.626 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000535229317 301251529 /nfs/dbraw/zinc/25/15/29/301251529.db2.gz KZNMXDUCFHMYJU-KZNAEPCWSA-N 1 3 323.525 2.545 20 0 DFADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000536857489 301291515 /nfs/dbraw/zinc/29/15/15/301291515.db2.gz LPNYYEYFIQENNN-JZXOWHBKSA-N 1 3 312.498 2.671 20 0 DFADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000536857474 301291594 /nfs/dbraw/zinc/29/15/94/301291594.db2.gz LPNYYEYFIQENNN-BQFCYCMXSA-N 1 3 312.498 2.671 20 0 DFADHO CC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccc1F ZINC000538709364 301328746 /nfs/dbraw/zinc/32/87/46/301328746.db2.gz SZTRCWVTMGQYNW-GOSISDBHSA-N 1 3 307.457 2.894 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000539306719 301340315 /nfs/dbraw/zinc/34/03/15/301340315.db2.gz FSRDXFCXYCLJKD-LJQANCHMSA-N 1 3 319.468 2.820 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000541571820 301390047 /nfs/dbraw/zinc/39/00/47/301390047.db2.gz UKIBQHSGEBQXCU-RISCZKNCSA-N 1 3 300.368 2.966 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000541571820 301390050 /nfs/dbraw/zinc/39/00/50/301390050.db2.gz UKIBQHSGEBQXCU-RISCZKNCSA-N 1 3 300.368 2.966 20 0 DFADHO O=C(C[NH2+]CC1CCCCCC1)NCCN1CCCCCC1 ZINC000552064920 301679199 /nfs/dbraw/zinc/67/91/99/301679199.db2.gz YWBSKGWNMARMNZ-UHFFFAOYSA-N 1 3 309.498 2.539 20 0 DFADHO CCOc1ccc(Cl)cc1[C@H](C)NCCOCC[NH+](C)C ZINC000556077985 301784082 /nfs/dbraw/zinc/78/40/82/301784082.db2.gz BFQOXGKQKRNWNE-ZDUSSCGKSA-N 1 3 314.857 2.968 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000562958944 302017864 /nfs/dbraw/zinc/01/78/64/302017864.db2.gz YOTPTIUQDUFDMB-ZOCIIQOWSA-N 1 3 311.429 2.591 20 0 DFADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000563415179 302069718 /nfs/dbraw/zinc/06/97/18/302069718.db2.gz NKQRMZDWYANYCY-CWFSZBLJSA-N 1 3 314.473 2.922 20 0 DFADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528789 302080097 /nfs/dbraw/zinc/08/00/97/302080097.db2.gz GOZHUDNBCLYIEU-DYESRHJHSA-N 1 3 324.468 2.817 20 0 DFADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528789 302080098 /nfs/dbraw/zinc/08/00/98/302080098.db2.gz GOZHUDNBCLYIEU-DYESRHJHSA-N 1 3 324.468 2.817 20 0 DFADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528789 302080100 /nfs/dbraw/zinc/08/01/00/302080100.db2.gz GOZHUDNBCLYIEU-DYESRHJHSA-N 1 3 324.468 2.817 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1)C1CC1 ZINC000563961196 302111984 /nfs/dbraw/zinc/11/19/84/302111984.db2.gz ZBUNWFDHNQWQHT-KGLIPLIRSA-N 1 3 303.450 2.527 20 0 DFADHO CC(C)(C(=O)NCC[NH+]1CCCCCC1)[C@@H](N)c1ccccc1 ZINC000564563901 302141295 /nfs/dbraw/zinc/14/12/95/302141295.db2.gz DJEFRLCTBICXDL-KRWDZBQOSA-N 1 3 317.477 2.705 20 0 DFADHO Cc1c([C@@H](C)NCC[C@@H]2CC[NH2+]C2)nnn1-c1ccc(C)cc1 ZINC000564821890 302161134 /nfs/dbraw/zinc/16/11/34/302161134.db2.gz ABIZQJDFENBSSI-ZBFHGGJFSA-N 1 3 313.449 2.534 20 0 DFADHO C[C@@H](CC[NH+](C)C)NC[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000564855757 302165272 /nfs/dbraw/zinc/16/52/72/302165272.db2.gz HGAKGZHMQWAIQS-JSGCOSHPSA-N 1 3 318.383 2.539 20 0 DFADHO OC1(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCC1 ZINC000564868225 302166756 /nfs/dbraw/zinc/16/67/56/302166756.db2.gz DHYZVNAMYMXLMH-SFHVURJKSA-N 1 3 302.462 2.793 20 0 DFADHO OC1(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000564868225 302166758 /nfs/dbraw/zinc/16/67/58/302166758.db2.gz DHYZVNAMYMXLMH-SFHVURJKSA-N 1 3 302.462 2.793 20 0 DFADHO OC1(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000564868225 302166761 /nfs/dbraw/zinc/16/67/61/302166761.db2.gz DHYZVNAMYMXLMH-SFHVURJKSA-N 1 3 302.462 2.793 20 0 DFADHO COc1ccc([C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000565225297 302209846 /nfs/dbraw/zinc/20/98/46/302209846.db2.gz CGPZHGHBGNUYID-LMMKCTJWSA-N 1 3 317.477 2.692 20 0 DFADHO CC(C)C[C@H](CNC(=O)C(C)(C)N)[NH2+][C@@H](C)c1ccccc1 ZINC000565361408 302220491 /nfs/dbraw/zinc/22/04/91/302220491.db2.gz NIRBZSVEMCBXMH-GOEBONIOSA-N 1 3 305.466 2.605 20 0 DFADHO CCC1(C)CCC(NCc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000566103677 302259897 /nfs/dbraw/zinc/25/98/97/302259897.db2.gz FPKJQESCRAQNTH-UHFFFAOYSA-N 1 3 305.470 2.720 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)CCc2ccccc2)C1 ZINC000566114540 302260642 /nfs/dbraw/zinc/26/06/42/302260642.db2.gz IZPINZIHWADANS-WOJBJXKFSA-N 1 3 318.505 2.938 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)CCc2ccccc2)C1 ZINC000566114540 302260644 /nfs/dbraw/zinc/26/06/44/302260644.db2.gz IZPINZIHWADANS-WOJBJXKFSA-N 1 3 318.505 2.938 20 0 DFADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000566114540 302260647 /nfs/dbraw/zinc/26/06/47/302260647.db2.gz IZPINZIHWADANS-WOJBJXKFSA-N 1 3 318.505 2.938 20 0 DFADHO CCN(Cc1ccc(C(=O)NCCC[NH2+]C(C)C)cc1)C1CC1 ZINC000566199248 302267466 /nfs/dbraw/zinc/26/74/66/302267466.db2.gz VTIUROQQRQNNKD-UHFFFAOYSA-N 1 3 317.477 2.789 20 0 DFADHO c1cc2c(cc1CN1CCC([C@@H]3CCCO3)CC1)C[NH2+]CC2 ZINC000566743211 302308923 /nfs/dbraw/zinc/30/89/23/302308923.db2.gz PAFKIDNBGRQRSG-IBGZPJMESA-N 1 3 300.446 2.723 20 0 DFADHO CN(Cc1ccc2c(c1)C[NH2+]CC2)C[C@H]1COc2ccccc2O1 ZINC000566860926 302318172 /nfs/dbraw/zinc/31/81/72/302318172.db2.gz HMCGDWJGIRIGNX-SFHVURJKSA-N 1 3 324.424 2.604 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000566967961 302326006 /nfs/dbraw/zinc/32/60/06/302326006.db2.gz ZUYYMSHZKQSNPG-NVXWUHKLSA-N 1 3 324.428 2.551 20 0 DFADHO C[C@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)N1CCCC1 ZINC000567164809 302340858 /nfs/dbraw/zinc/34/08/58/302340858.db2.gz XLYIKSOGZVOGHU-WBVHZDCISA-N 1 3 309.498 2.665 20 0 DFADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@]1(C)CCCNC1 ZINC000567471857 302361516 /nfs/dbraw/zinc/36/15/16/302361516.db2.gz PRGSIXTVFSKWHR-KDOFPFPSSA-N 1 3 300.450 2.863 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000567642379 302375813 /nfs/dbraw/zinc/37/58/13/302375813.db2.gz RELFOFGVAIHTKU-SJLPKXTDSA-N 1 3 324.428 2.551 20 0 DFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000567894139 302397292 /nfs/dbraw/zinc/39/72/92/302397292.db2.gz MHLZVURBVJBMRC-GDBMZVCRSA-N 1 3 305.466 2.559 20 0 DFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000567894139 302397295 /nfs/dbraw/zinc/39/72/95/302397295.db2.gz MHLZVURBVJBMRC-GDBMZVCRSA-N 1 3 305.466 2.559 20 0 DFADHO CN(C)Cc1ccc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000568877756 302480579 /nfs/dbraw/zinc/48/05/79/302480579.db2.gz XLLMYVRIKGWNCW-HXUWFJFHSA-N 1 3 323.440 2.618 20 0 DFADHO COc1ccccc1OCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000569566736 302525710 /nfs/dbraw/zinc/52/57/10/302525710.db2.gz YVZLCXSQIWGQCJ-XHSDSOJGSA-N 1 3 304.434 2.584 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)NCc1ccc(C[NH3+])cc1 ZINC000571882660 302636555 /nfs/dbraw/zinc/63/65/55/302636555.db2.gz URZIXAXLHILLQQ-OAHLLOKOSA-N 1 3 311.429 2.677 20 0 DFADHO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ccc3c(c2)CNCC3)C1 ZINC000572295171 302653746 /nfs/dbraw/zinc/65/37/46/302653746.db2.gz XZUULPNGRQFJQA-YWZLYKJASA-N 1 3 316.489 2.999 20 0 DFADHO C[C@H](N[C@@H]1CCCN(c2ccccc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000573437024 302704514 /nfs/dbraw/zinc/70/45/14/302704514.db2.gz MCNMHMCBHQAVTA-HRCADAONSA-N 1 3 305.441 2.772 20 0 DFADHO Clc1cccc([C@@H]2CNCCN2CCC2CC[NH2+]CC2)c1 ZINC000261887462 302887678 /nfs/dbraw/zinc/88/76/78/302887678.db2.gz VESKQHJGJOPHEL-KRWDZBQOSA-N 1 3 307.869 2.676 20 0 DFADHO C[C@@H]1CCN(CC2(C[N@@H+]3CC[C@H](C)[C@H](C)C3)COC2)C[C@@H]1C ZINC000182384240 316100355 /nfs/dbraw/zinc/10/03/55/316100355.db2.gz LMOSDEHIBGPUCS-FZDBZEDMSA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H]1CCN(CC2(C[N@H+]3CC[C@H](C)[C@H](C)C3)COC2)C[C@@H]1C ZINC000182384240 316100359 /nfs/dbraw/zinc/10/03/59/316100359.db2.gz LMOSDEHIBGPUCS-FZDBZEDMSA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H]1CC[N@@H+](CC2(CN3CC[C@H](C)[C@H](C)C3)COC2)C[C@@H]1C ZINC000182384240 316100363 /nfs/dbraw/zinc/10/03/63/316100363.db2.gz LMOSDEHIBGPUCS-FZDBZEDMSA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H]1CC[N@H+](CC2(CN3CC[C@H](C)[C@H](C)C3)COC2)C[C@@H]1C ZINC000182384240 316100365 /nfs/dbraw/zinc/10/03/65/316100365.db2.gz LMOSDEHIBGPUCS-FZDBZEDMSA-N 1 3 308.510 2.959 20 0 DFADHO C[C@H](CCNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000182918144 316123099 /nfs/dbraw/zinc/12/30/99/316123099.db2.gz AFMJVVWTXVHKMX-QZWWFDLISA-N 1 3 309.498 2.628 20 0 DFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(F)c1F ZINC000183262483 316135106 /nfs/dbraw/zinc/13/51/06/316135106.db2.gz NYZZOWZQTWQYMX-ZIAGYGMSSA-N 1 3 312.404 2.852 20 0 DFADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc(F)c1F ZINC000183262483 316135110 /nfs/dbraw/zinc/13/51/10/316135110.db2.gz NYZZOWZQTWQYMX-ZIAGYGMSSA-N 1 3 312.404 2.852 20 0 DFADHO CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CCCC1 ZINC000184947846 316177309 /nfs/dbraw/zinc/17/73/09/316177309.db2.gz POWNLPSXYMPEND-SFHVURJKSA-N 1 3 317.477 2.670 20 0 DFADHO CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CCCC1 ZINC000184947846 316177313 /nfs/dbraw/zinc/17/73/13/316177313.db2.gz POWNLPSXYMPEND-SFHVURJKSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000346098801 316318085 /nfs/dbraw/zinc/31/80/85/316318085.db2.gz LSGVYNFVYCPRRO-UKRRQHHQSA-N 1 3 323.868 2.578 20 0 DFADHO COc1ccc(C)cc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000353528008 316534269 /nfs/dbraw/zinc/53/42/69/316534269.db2.gz FNCUZPZUBYRSDI-UHFFFAOYSA-N 1 3 306.450 2.546 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(OCc2ccccn2)c1 ZINC000414791182 316659086 /nfs/dbraw/zinc/65/90/86/316659086.db2.gz HGWDTJXZNTWVMH-QFBILLFUSA-N 1 3 311.429 2.878 20 0 DFADHO COc1cc(CN[C@@H]2CCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000414801059 316662282 /nfs/dbraw/zinc/66/22/82/316662282.db2.gz SYYLXJBIPDIDMZ-VXGBXAGGSA-N 1 3 300.349 2.514 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418294484 316719900 /nfs/dbraw/zinc/71/99/00/316719900.db2.gz HKLDLWYYXSYDMB-UHFFFAOYSA-N 1 3 324.513 2.556 20 0 DFADHO COC[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1CCCC1 ZINC000446757483 317022310 /nfs/dbraw/zinc/02/23/10/317022310.db2.gz BAKYFCCPJVGUOS-IBGZPJMESA-N 1 3 320.477 2.922 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000450432379 317092104 /nfs/dbraw/zinc/09/21/04/317092104.db2.gz ABXLSCUWAZCRCW-WSTZPKSXSA-N 1 3 316.489 2.959 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000450432379 317092107 /nfs/dbraw/zinc/09/21/07/317092107.db2.gz ABXLSCUWAZCRCW-WSTZPKSXSA-N 1 3 316.489 2.959 20 0 DFADHO c1cnn(CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453140542 317164952 /nfs/dbraw/zinc/16/49/52/317164952.db2.gz QJFRVCIJTWABMX-AABGKKOBSA-N 1 3 324.472 2.916 20 0 DFADHO c1cnn(CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453140542 317164954 /nfs/dbraw/zinc/16/49/54/317164954.db2.gz QJFRVCIJTWABMX-AABGKKOBSA-N 1 3 324.472 2.916 20 0 DFADHO COc1ncc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1Cl ZINC000453292275 317176710 /nfs/dbraw/zinc/17/67/10/317176710.db2.gz NIWJSRUCJWWECU-BPLDGKMQSA-N 1 3 309.841 2.706 20 0 DFADHO C[N@H+](CCCCNCc1cnc([C@@H]2CCCO2)s1)C1CC1 ZINC000453596408 317192461 /nfs/dbraw/zinc/19/24/61/317192461.db2.gz LBWFJJIYKXHISF-HNNXBMFYSA-N 1 3 309.479 2.959 20 0 DFADHO C[N@@H+](CCCCNCc1cnc([C@@H]2CCCO2)s1)C1CC1 ZINC000453596408 317192464 /nfs/dbraw/zinc/19/24/64/317192464.db2.gz LBWFJJIYKXHISF-HNNXBMFYSA-N 1 3 309.479 2.959 20 0 DFADHO CC(C)C1CC([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000488503192 317398053 /nfs/dbraw/zinc/39/80/53/317398053.db2.gz JKXUEIZTDOKRQF-CTWPCTMYSA-N 1 3 302.462 2.777 20 0 DFADHO CC(C)C1CC([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000488505076 317398369 /nfs/dbraw/zinc/39/83/69/317398369.db2.gz QVLBHRUZRXTEDJ-UHFFFAOYSA-N 1 3 317.477 2.502 20 0 DFADHO ClC1(Cl)C[C@@H]1CCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240447 317777874 /nfs/dbraw/zinc/77/78/74/317777874.db2.gz LCMDYBIVBHVVHS-KBPBESRZSA-N 1 3 321.292 2.661 20 0 DFADHO CC(C)(CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(=O)N1CCCC1 ZINC000530226516 317777272 /nfs/dbraw/zinc/77/72/72/317777272.db2.gz RODGDBDUDNLMSI-IXDOHACOSA-N 1 3 321.509 2.535 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000566091205 317937156 /nfs/dbraw/zinc/93/71/56/317937156.db2.gz ARWCYZLVKKZCPN-JSGCOSHPSA-N 1 3 320.824 2.650 20 0 DFADHO CC1=C[C@@H](C)C[C@H](C[NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C1 ZINC000573409429 318018620 /nfs/dbraw/zinc/01/86/20/318018620.db2.gz OHHJUDODSJFOHZ-NJAFHUGGSA-N 1 3 323.525 2.661 20 0 DFADHO C[N@H+](C[C@@H](O)CNCCc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000576389809 318123021 /nfs/dbraw/zinc/12/30/21/318123021.db2.gz DNEIVNGNWMESLN-HNNXBMFYSA-N 1 3 317.260 2.581 20 0 DFADHO C[N@@H+](C[C@@H](O)CNCCc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000576389809 318123023 /nfs/dbraw/zinc/12/30/23/318123023.db2.gz DNEIVNGNWMESLN-HNNXBMFYSA-N 1 3 317.260 2.581 20 0 DFADHO C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)[C@@H]1CCCNC1 ZINC000576695373 318143612 /nfs/dbraw/zinc/14/36/12/318143612.db2.gz MAHSDHWIXDFYRP-UONOGXRCSA-N 1 3 303.425 2.838 20 0 DFADHO CCOc1cc(CCC[NH2+][C@@H]2CCC[C@H](N)C2)ccc1OC ZINC000576718019 318145943 /nfs/dbraw/zinc/14/59/43/318145943.db2.gz NVMHTECSZNLVGL-JKSUJKDBSA-N 1 3 306.450 2.886 20 0 DFADHO C[C@H]([NH2+]CCc1cccc(Br)c1)[C@H]1CCCNC1 ZINC000577161757 318174794 /nfs/dbraw/zinc/17/47/94/318174794.db2.gz QAAARFVOGVOQIQ-JSGCOSHPSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H](NCCc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000577161757 318174797 /nfs/dbraw/zinc/17/47/97/318174797.db2.gz QAAARFVOGVOQIQ-JSGCOSHPSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000577710646 318211561 /nfs/dbraw/zinc/21/15/61/318211561.db2.gz CASVZCXQBUNBBY-KGLIPLIRSA-N 1 3 316.449 2.532 20 0 DFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000577710646 318211562 /nfs/dbraw/zinc/21/15/62/318211562.db2.gz CASVZCXQBUNBBY-KGLIPLIRSA-N 1 3 316.449 2.532 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CCC[NH2+]CC1 ZINC000577720388 318212384 /nfs/dbraw/zinc/21/23/84/318212384.db2.gz WVCYQAFLQLEVQO-CYBMUJFWSA-N 1 3 309.841 2.709 20 0 DFADHO CC[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000577739728 318213965 /nfs/dbraw/zinc/21/39/65/318213965.db2.gz DJKWDVMFEDIZBK-YVWKXTFCSA-N 1 3 315.505 2.801 20 0 DFADHO COc1cncc(/C=C/CCN2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000577949961 318228155 /nfs/dbraw/zinc/22/81/55/318228155.db2.gz MMDLQOAOYOFDSY-BBOMDTFKSA-N 1 3 303.450 2.910 20 0 DFADHO COc1cncc(/C=C/CC[N@@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000577949961 318228158 /nfs/dbraw/zinc/22/81/58/318228158.db2.gz MMDLQOAOYOFDSY-BBOMDTFKSA-N 1 3 303.450 2.910 20 0 DFADHO COc1cncc(/C=C/CC[N@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000577949961 318228160 /nfs/dbraw/zinc/22/81/60/318228160.db2.gz MMDLQOAOYOFDSY-BBOMDTFKSA-N 1 3 303.450 2.910 20 0 DFADHO Cn1cc([C@@H]2CN(CC[C@@H]3CCCC[N@@H+]3C)CC2(C)C)cn1 ZINC000578079728 318236447 /nfs/dbraw/zinc/23/64/47/318236447.db2.gz BKJIHPKPSAVMDF-IRXDYDNUSA-N 1 3 304.482 2.720 20 0 DFADHO Cn1cc([C@@H]2CN(CC[C@@H]3CCCC[N@H+]3C)CC2(C)C)cn1 ZINC000578079728 318236450 /nfs/dbraw/zinc/23/64/50/318236450.db2.gz BKJIHPKPSAVMDF-IRXDYDNUSA-N 1 3 304.482 2.720 20 0 DFADHO c1csc(C[NH+]2CCC(CNCc3cnccn3)CC2)c1 ZINC000578161921 318242425 /nfs/dbraw/zinc/24/24/25/318242425.db2.gz UCLWQZSLFYHELY-UHFFFAOYSA-N 1 3 302.447 2.540 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)Cc2ccc(F)cc2)C1 ZINC000578232251 318247024 /nfs/dbraw/zinc/24/70/24/318247024.db2.gz MVSHZASUQCKIRB-PKOBYXMFSA-N 1 3 322.468 2.687 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)Cc2ccc(F)cc2)C1 ZINC000578232251 318247027 /nfs/dbraw/zinc/24/70/27/318247027.db2.gz MVSHZASUQCKIRB-PKOBYXMFSA-N 1 3 322.468 2.687 20 0 DFADHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000578523659 318267269 /nfs/dbraw/zinc/26/72/69/318267269.db2.gz KKFDINKARDKPEK-QWRGUYRKSA-N 1 3 300.244 2.835 20 0 DFADHO FC(F)(F)COCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000578637778 318274717 /nfs/dbraw/zinc/27/47/17/318274717.db2.gz FUFSPNLRHCXKSJ-MGPQQGTHSA-N 1 3 308.388 2.856 20 0 DFADHO CCc1noc(C)c1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000579083488 318305529 /nfs/dbraw/zinc/30/55/29/318305529.db2.gz QAMUTJIUYKZMJH-UHFFFAOYSA-N 1 3 300.406 2.699 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000579258651 318319205 /nfs/dbraw/zinc/31/92/05/318319205.db2.gz VFVGKIRFKWFAGQ-ILXRZTDVSA-N 1 3 323.868 2.787 20 0 DFADHO C[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)C1CCCCCC1 ZINC000579343153 318323619 /nfs/dbraw/zinc/32/36/19/318323619.db2.gz JEXBKPRUQMTOGY-CYBMUJFWSA-N 1 3 305.470 2.720 20 0 DFADHO C[C@@H]1CC[C@@H](NCC2([NH3+])CCCCCC2)[C@@H](n2cncn2)C1 ZINC000579944618 318364782 /nfs/dbraw/zinc/36/47/82/318364782.db2.gz HXWPKXFEYQQXTQ-OAGGEKHMSA-N 1 3 305.470 2.649 20 0 DFADHO c1ccc(CN2CCCC[C@H]2CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000379630362 323289534 /nfs/dbraw/zinc/28/95/34/323289534.db2.gz PTRXMHGKVGAWRJ-OALUTQOASA-N 1 3 301.478 2.773 20 0 DFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000387585915 323326167 /nfs/dbraw/zinc/32/61/67/323326167.db2.gz RCNXBVIFPCGAGB-KRWDZBQOSA-N 1 3 319.493 2.601 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)CC2 ZINC000387574361 323326583 /nfs/dbraw/zinc/32/65/83/323326583.db2.gz OMBWQSTXVNXCNS-YJBOKZPZSA-N 1 3 302.462 2.872 20 0 DFADHO Fc1ccc(CCN2CCC([NH2+]CCCN3CCC3)CC2)cc1 ZINC000581833987 323575966 /nfs/dbraw/zinc/57/59/66/323575966.db2.gz BYMGLZUVKIQSAK-UHFFFAOYSA-N 1 3 319.468 2.518 20 0 DFADHO COc1cc(CNCCCCC[NH+]2CCCC2)cc2c1OCO2 ZINC000293028362 533873219 /nfs/dbraw/zinc/87/32/19/533873219.db2.gz PPOGAYZGWOTYQQ-UHFFFAOYSA-N 1 3 320.433 2.780 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)[C@H](C)O1 ZINC000294722141 533951274 /nfs/dbraw/zinc/95/12/74/533951274.db2.gz BXYOFMOFIUMYTQ-NEPXVJNWSA-N 1 3 302.462 2.707 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@H](C)O1 ZINC000294722141 533951281 /nfs/dbraw/zinc/95/12/81/533951281.db2.gz BXYOFMOFIUMYTQ-NEPXVJNWSA-N 1 3 302.462 2.707 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H](C)O1 ZINC000294722141 533951286 /nfs/dbraw/zinc/95/12/86/533951286.db2.gz BXYOFMOFIUMYTQ-NEPXVJNWSA-N 1 3 302.462 2.707 20 0 DFADHO c1ccc([C@H]2C[C@@H]([NH2+]CCCNCc3cccnc3)CCN2)cc1 ZINC000414857575 518203918 /nfs/dbraw/zinc/20/39/18/518203918.db2.gz FBARIDWTJXCFDX-VQTJNVASSA-N 1 3 324.472 2.644 20 0 DFADHO c1cc(N2CCC([NH2+][C@H]3CCO[C@H](C4CC4)C3)CC2)ccn1 ZINC000297611502 534473124 /nfs/dbraw/zinc/47/31/24/534473124.db2.gz KPGRIRWHBFIWGH-WMZOPIPTSA-N 1 3 301.434 2.598 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H]3CCO[C@@H](C4CC4)C3)CC2)ccn1 ZINC000297611498 534470488 /nfs/dbraw/zinc/47/04/88/534470488.db2.gz KPGRIRWHBFIWGH-SJLPKXTDSA-N 1 3 301.434 2.598 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000154527688 521680078 /nfs/dbraw/zinc/68/00/78/521680078.db2.gz JEXXGUZJXOSTIJ-INIZCTEOSA-N 1 3 307.457 2.894 20 0 DFADHO [NH3+]CCCOC1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000321577628 534618028 /nfs/dbraw/zinc/61/80/28/534618028.db2.gz SBCRPAUQLAKUMT-UHFFFAOYSA-N 1 3 317.408 2.704 20 0 DFADHO CN1CCC[C@@H](CNC(=O)C(C)(C)[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000364848534 523811975 /nfs/dbraw/zinc/81/19/75/523811975.db2.gz ALWZTTYUDIOLHL-DZGCQCFKSA-N 1 3 323.868 2.576 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCCC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000367614686 523989663 /nfs/dbraw/zinc/98/96/63/523989663.db2.gz IUQWOHRZBXVVSU-BZSNNMDCSA-N 1 3 314.477 2.644 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc(N3CCCC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000367614686 523989667 /nfs/dbraw/zinc/98/96/67/523989667.db2.gz IUQWOHRZBXVVSU-BZSNNMDCSA-N 1 3 314.477 2.644 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000367614686 523989671 /nfs/dbraw/zinc/98/96/71/523989671.db2.gz IUQWOHRZBXVVSU-BZSNNMDCSA-N 1 3 314.477 2.644 20 0 DFADHO C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000157877455 524217940 /nfs/dbraw/zinc/21/79/40/524217940.db2.gz HCCWLAYELHOBGS-AEFFLSMTSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000157877455 524217946 /nfs/dbraw/zinc/21/79/46/524217946.db2.gz HCCWLAYELHOBGS-AEFFLSMTSA-N 1 3 317.477 2.528 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000294841142 527830525 /nfs/dbraw/zinc/83/05/25/527830525.db2.gz BDQZWWKPNUEVSB-WDSOQIARSA-N 1 3 304.478 2.906 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000294841142 527830526 /nfs/dbraw/zinc/83/05/26/527830526.db2.gz BDQZWWKPNUEVSB-WDSOQIARSA-N 1 3 304.478 2.906 20 0 DFADHO CCCN[C@H](C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000294930365 528559804 /nfs/dbraw/zinc/55/98/04/528559804.db2.gz BDRDDKHJUJLMOT-OAHLLOKOSA-N 1 3 303.450 2.652 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccncc2C)[C@H](C)C1 ZINC000294710750 528663913 /nfs/dbraw/zinc/66/39/13/528663913.db2.gz BIXPYHRZFMACEI-SJLPKXTDSA-N 1 3 305.466 2.617 20 0 DFADHO CC(C)N(C)c1ccc(CN2CCC(C[NH+](C)C)CC2)cn1 ZINC000361509759 535026681 /nfs/dbraw/zinc/02/66/81/535026681.db2.gz WSANGYBNACDLID-UHFFFAOYSA-N 1 3 304.482 2.700 20 0 DFADHO CCCC[C@H](N)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000236818693 535047145 /nfs/dbraw/zinc/04/71/45/535047145.db2.gz RAPVNJDYMDGRHP-KRWDZBQOSA-N 1 3 305.466 2.662 20 0 DFADHO CC[NH2+]CC1CCN(CCOc2ccc(OCC)cc2)CC1 ZINC000262314383 535457599 /nfs/dbraw/zinc/45/75/99/535457599.db2.gz QDVFYUTWTHGSCR-UHFFFAOYSA-N 1 3 306.450 2.786 20 0 DFADHO CCN(CC)c1ncc(CNCC2(C)CC[NH+](C)CC2)s1 ZINC000227330358 535691770 /nfs/dbraw/zinc/69/17/70/535691770.db2.gz WUJSJQHJXPKLQK-UHFFFAOYSA-N 1 3 310.511 2.811 20 0 DFADHO CCc1cccc(F)c1CNCCN1CCC([NH+](C)C)CC1 ZINC000354547095 535891023 /nfs/dbraw/zinc/89/10/23/535891023.db2.gz KJLCULCZEVRLPF-UHFFFAOYSA-N 1 3 307.457 2.504 20 0 DFADHO CN(C)CCOC1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000357555238 535892827 /nfs/dbraw/zinc/89/28/27/535892827.db2.gz DFJBWLINQMNQEN-UHFFFAOYSA-N 1 3 320.477 2.888 20 0 DFADHO COc1ccc(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000261959519 536842694 /nfs/dbraw/zinc/84/26/94/536842694.db2.gz XKRDLBKRHSHSIS-IRXDYDNUSA-N 1 3 312.413 2.981 20 0 DFADHO COC1CC[NH+](CCNc2c(C)cnc3c(C)cccc32)CC1 ZINC000680895148 545558568 /nfs/dbraw/zinc/55/85/68/545558568.db2.gz FTFYXHLJZVDZOQ-UHFFFAOYSA-N 1 3 313.445 2.796 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]C[C@H]2CC23CCOCC3)cc1 ZINC000681824093 545732772 /nfs/dbraw/zinc/73/27/72/545732772.db2.gz KTECJBDTZUVLRE-QGZVFWFLSA-N 1 3 318.461 2.533 20 0 DFADHO CC(C)[C@H](C)[NH+]1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000682075140 545790348 /nfs/dbraw/zinc/79/03/48/545790348.db2.gz RJJYTDBOAHIWNB-SFHVURJKSA-N 1 3 303.494 2.781 20 0 DFADHO CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]CCCN(CC)CC ZINC000683142342 545979207 /nfs/dbraw/zinc/97/92/07/545979207.db2.gz PJTGWZDBWXCMGA-DLBZAZTESA-N 1 3 311.514 2.591 20 0 DFADHO C(NCC1CC[NH+](C2CC2)CC1)c1nc2c(s1)CCCC2 ZINC000683706210 546078987 /nfs/dbraw/zinc/07/89/87/546078987.db2.gz DSCXBHQSZROFLB-UHFFFAOYSA-N 1 3 305.491 2.986 20 0 DFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683929642 546121560 /nfs/dbraw/zinc/12/15/60/546121560.db2.gz URTDPBGDNJPNIW-MOPGFXCFSA-N 1 3 313.445 2.635 20 0 DFADHO CO[C@@H]1CCC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000684389892 546207165 /nfs/dbraw/zinc/20/71/65/546207165.db2.gz YEVVJHDQEDRZLG-FUHWJXTLSA-N 1 3 303.450 2.845 20 0 DFADHO CO[C@H]1C[C@@H](N(C)Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000685438436 546349720 /nfs/dbraw/zinc/34/97/20/546349720.db2.gz DBCZKDRLONVBEX-IZAXUBKRSA-N 1 3 318.461 2.770 20 0 DFADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc([S@](C)=O)cc1 ZINC000272876899 210266679 /nfs/dbraw/zinc/26/66/79/210266679.db2.gz BRXWGNXDWLUJKA-PXARDIRTSA-N 1 3 308.491 2.949 20 0 DFADHO COc1cccc2c1CC[C@@H]2NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278526632 214212970 /nfs/dbraw/zinc/21/29/70/214212970.db2.gz NEJSMZKBLKXMGE-QAPCUYQASA-N 1 3 318.461 2.773 20 0 DFADHO COc1cccc2c1CC[C@@H]2NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000278526632 214212971 /nfs/dbraw/zinc/21/29/71/214212971.db2.gz NEJSMZKBLKXMGE-QAPCUYQASA-N 1 3 318.461 2.773 20 0 DFADHO CN(CCN1CC[C@@H](C[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000278514155 214204472 /nfs/dbraw/zinc/20/44/72/214204472.db2.gz BTCLZQPJOXZLJF-IBGZPJMESA-N 1 3 301.478 2.536 20 0 DFADHO c1nn(Cc2ccccc2)cc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278530461 214216371 /nfs/dbraw/zinc/21/63/71/214216371.db2.gz UYMNUDQFDPEADI-UHFFFAOYSA-N 1 3 324.472 2.895 20 0 DFADHO CN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000365782535 282133174 /nfs/dbraw/zinc/13/31/74/282133174.db2.gz DJGCLECLOXWVNY-FUHWJXTLSA-N 1 3 321.509 2.584 20 0 DFADHO CN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000365782535 282133178 /nfs/dbraw/zinc/13/31/78/282133178.db2.gz DJGCLECLOXWVNY-FUHWJXTLSA-N 1 3 321.509 2.584 20 0 DFADHO COc1ccc2c(c1)[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)CC2 ZINC000278579788 214251323 /nfs/dbraw/zinc/25/13/23/214251323.db2.gz PZFBSIINQYHCJC-KXBFYZLASA-N 1 3 318.461 2.773 20 0 DFADHO COc1ccc2c(c1)[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000278579788 214251326 /nfs/dbraw/zinc/25/13/26/214251326.db2.gz PZFBSIINQYHCJC-KXBFYZLASA-N 1 3 318.461 2.773 20 0 DFADHO c1ccc2c(c1)C[C@H](C[NH2+]C1CCN(c3ccncc3)CC1)O2 ZINC000322053708 231209207 /nfs/dbraw/zinc/20/92/07/231209207.db2.gz BFVKXHRDVFFARH-GOSISDBHSA-N 1 3 309.413 2.644 20 0 DFADHO CN(C)[C@@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)c1ccccc1 ZINC000261617345 282178184 /nfs/dbraw/zinc/17/81/84/282178184.db2.gz BSROILBJZYLUCC-MSOLQXFVSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CCCC1 ZINC000090038624 185279351 /nfs/dbraw/zinc/27/93/51/185279351.db2.gz PGUNONDVUGARDX-HNNXBMFYSA-N 1 3 317.477 2.646 20 0 DFADHO COc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1OC ZINC000092381226 185314917 /nfs/dbraw/zinc/31/49/17/185314917.db2.gz AJGRITKRXRTRGT-UHFFFAOYSA-N 1 3 306.450 2.868 20 0 DFADHO Cc1cc(C)n2c(CN3CCC(CC[NH+](C)C)CC3)cnc2n1 ZINC000092381129 185314967 /nfs/dbraw/zinc/31/49/67/185314967.db2.gz KEOMLDGFCMJZGT-UHFFFAOYSA-N 1 3 315.465 2.510 20 0 DFADHO CCCN1CCN(c2ccccc2C[N@H+](C)CCCOC)CC1 ZINC000092537163 185324461 /nfs/dbraw/zinc/32/44/61/185324461.db2.gz CMOHYQPLZPGSJZ-UHFFFAOYSA-N 1 3 319.493 2.687 20 0 DFADHO CCCN1CCN(c2ccccc2C[N@@H+](C)CCCOC)CC1 ZINC000092537163 185324462 /nfs/dbraw/zinc/32/44/62/185324462.db2.gz CMOHYQPLZPGSJZ-UHFFFAOYSA-N 1 3 319.493 2.687 20 0 DFADHO CCOCC[N@H+](CC)Cc1ccccc1N1CCN(CC)CC1 ZINC000092537874 185324897 /nfs/dbraw/zinc/32/48/97/185324897.db2.gz KVVQOKDMYMLOPH-UHFFFAOYSA-N 1 3 319.493 2.687 20 0 DFADHO CCOCC[N@@H+](CC)Cc1ccccc1N1CCN(CC)CC1 ZINC000092537874 185324898 /nfs/dbraw/zinc/32/48/98/185324898.db2.gz KVVQOKDMYMLOPH-UHFFFAOYSA-N 1 3 319.493 2.687 20 0 DFADHO C[C@@H]([NH2+]CCc1nccs1)c1ccc(OCCN(C)C)cc1 ZINC000127834796 282958859 /nfs/dbraw/zinc/95/88/59/282958859.db2.gz MXQMRVWGNIZYKY-CQSZACIVSA-N 1 3 319.474 2.977 20 0 DFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CCn1ccnc1 ZINC000092821062 185343782 /nfs/dbraw/zinc/34/37/82/185343782.db2.gz VPEHGZDRFXKWJK-UHFFFAOYSA-N 1 3 313.449 2.517 20 0 DFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CCn1ccnc1 ZINC000092821062 185343783 /nfs/dbraw/zinc/34/37/83/185343783.db2.gz VPEHGZDRFXKWJK-UHFFFAOYSA-N 1 3 313.449 2.517 20 0 DFADHO C[C@@H](NCCn1cc(Cl)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459405872 299098688 /nfs/dbraw/zinc/09/86/88/299098688.db2.gz OCPSZYVRVWPDMY-ZIAGYGMSSA-N 1 3 310.873 2.779 20 0 DFADHO C[C@@H](NCCn1cc(Cl)cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459405872 299098691 /nfs/dbraw/zinc/09/86/91/299098691.db2.gz OCPSZYVRVWPDMY-ZIAGYGMSSA-N 1 3 310.873 2.779 20 0 DFADHO C[C@@H]([NH2+]CCn1cc(Cl)cn1)[C@@H]1CCCN(C2CCC2)C1 ZINC000459405872 299098695 /nfs/dbraw/zinc/09/86/95/299098695.db2.gz OCPSZYVRVWPDMY-ZIAGYGMSSA-N 1 3 310.873 2.779 20 0 DFADHO C[N@@H+]1CCC[C@@]2(CCN(CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292907392 530059462 /nfs/dbraw/zinc/05/94/62/530059462.db2.gz HCGXKACNDSUDJD-LJQANCHMSA-N 1 3 300.446 2.582 20 0 DFADHO C[N@H+]1CCC[C@@]2(CCN(CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292907392 530059463 /nfs/dbraw/zinc/05/94/63/530059463.db2.gz HCGXKACNDSUDJD-LJQANCHMSA-N 1 3 300.446 2.582 20 0 DFADHO CCO[C@@H]1C[C@@H](NCC2(C[NH+](C)C)CCCC2)[C@@H]1SC ZINC000459476264 299116008 /nfs/dbraw/zinc/11/60/08/299116008.db2.gz HKJYQMOWUPRFLG-KFWWJZLASA-N 1 3 300.512 2.607 20 0 DFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccnc1 ZINC000090523902 398488234 /nfs/dbraw/zinc/48/82/34/398488234.db2.gz KEEXELJQVPMDFI-QGTPRVQTSA-N 1 3 303.450 2.500 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC1([C@H](O)c2ccccc2)CC1 ZINC000090771106 398492624 /nfs/dbraw/zinc/49/26/24/398492624.db2.gz IUXKNURTFXUUKC-JOCBIADPSA-N 1 3 302.462 2.819 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC1([C@H](O)c2ccccc2)CC1 ZINC000090771106 398492627 /nfs/dbraw/zinc/49/26/27/398492627.db2.gz IUXKNURTFXUUKC-JOCBIADPSA-N 1 3 302.462 2.819 20 0 DFADHO CN(C)Cc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000090919626 398496948 /nfs/dbraw/zinc/49/69/48/398496948.db2.gz MFCQEIDEISMXCV-DLBZAZTESA-N 1 3 305.441 2.604 20 0 DFADHO CN(C)Cc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000090919626 398496953 /nfs/dbraw/zinc/49/69/53/398496953.db2.gz MFCQEIDEISMXCV-DLBZAZTESA-N 1 3 305.441 2.604 20 0 DFADHO CCCN1CCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459542619 299129812 /nfs/dbraw/zinc/12/98/12/299129812.db2.gz ARSWAUJRIPBIBD-SFHVURJKSA-N 1 3 302.466 2.514 20 0 DFADHO c1cc2cccc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)c2[nH]1 ZINC000236581777 201929110 /nfs/dbraw/zinc/92/91/10/201929110.db2.gz SHARZBFZCSHORY-HNNXBMFYSA-N 1 3 313.445 2.758 20 0 DFADHO CC[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1C[C@@H]1C ZINC000414085401 295765692 /nfs/dbraw/zinc/76/56/92/295765692.db2.gz YLOKTYSHPNYGMS-QGTPRVQTSA-N 1 3 317.477 2.502 20 0 DFADHO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000272620907 210021049 /nfs/dbraw/zinc/02/10/49/210021049.db2.gz YGCPONLMJIQDKU-SXXASDTRSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000272620907 210021052 /nfs/dbraw/zinc/02/10/52/210021052.db2.gz YGCPONLMJIQDKU-SXXASDTRSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000272620907 210021054 /nfs/dbraw/zinc/02/10/54/210021054.db2.gz YGCPONLMJIQDKU-SXXASDTRSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123610201 185825673 /nfs/dbraw/zinc/82/56/73/185825673.db2.gz JKXWTZYETBZXQT-QGZVFWFLSA-N 1 3 323.525 2.687 20 0 DFADHO C[NH+](C)CCOc1cccc(CNCc2n[nH]c3ccccc23)c1 ZINC000589641535 398567606 /nfs/dbraw/zinc/56/76/06/398567606.db2.gz NOYQGZWKRACMFS-UHFFFAOYSA-N 1 3 324.428 2.793 20 0 DFADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCc3cn(C)cn3)CC2)C1 ZINC000459662795 299158849 /nfs/dbraw/zinc/15/88/49/299158849.db2.gz ODIWQGSVASGSSN-MAUKXSAKSA-N 1 3 304.482 2.595 20 0 DFADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCc3cn(C)cn3)CC2)C1 ZINC000459662795 299158851 /nfs/dbraw/zinc/15/88/51/299158851.db2.gz ODIWQGSVASGSSN-MAUKXSAKSA-N 1 3 304.482 2.595 20 0 DFADHO C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCCCCC1 ZINC000150744445 186062345 /nfs/dbraw/zinc/06/23/45/186062345.db2.gz FIGDSVLJJFHILL-ROUUACIJSA-N 1 3 321.509 2.728 20 0 DFADHO C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000280021298 215317892 /nfs/dbraw/zinc/31/78/92/215317892.db2.gz UAXABOPJFGBDLJ-KEYYUXOJSA-N 1 3 310.869 2.878 20 0 DFADHO [NH3+]Cc1ccc(-c2noc(C3CN(C4CCCCC4)C3)n2)cc1 ZINC000414655475 295812435 /nfs/dbraw/zinc/81/24/35/295812435.db2.gz ZYYZKVJYLBRMTG-UHFFFAOYSA-N 1 3 312.417 2.927 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(F)c2F)C[C@@H](C)O1 ZINC000237504536 186298606 /nfs/dbraw/zinc/29/86/06/186298606.db2.gz FBFWVXXPRMPEOM-ZIAGYGMSSA-N 1 3 312.404 2.944 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2cccc3c2OCCCO3)C1 ZINC000459729361 299174925 /nfs/dbraw/zinc/17/49/25/299174925.db2.gz JCUAIJFSERGZEB-HNNXBMFYSA-N 1 3 304.434 2.669 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2cccc3c2OCCCO3)C1 ZINC000459729361 299174927 /nfs/dbraw/zinc/17/49/27/299174927.db2.gz JCUAIJFSERGZEB-HNNXBMFYSA-N 1 3 304.434 2.669 20 0 DFADHO Fc1ccc(Br)c(CNCC[C@H]2CC[NH2+]C2)c1 ZINC000414832172 295823525 /nfs/dbraw/zinc/82/35/25/295823525.db2.gz NYXJPTCHPNDXNS-SNVBAGLBSA-N 1 3 301.203 2.677 20 0 DFADHO C[C@H](O)C[NH+]1CCC(CN(C)c2ccnc3ccccc32)CC1 ZINC000171986679 198020651 /nfs/dbraw/zinc/02/06/51/198020651.db2.gz ABZVVXFNRJDYDI-HNNXBMFYSA-N 1 3 313.445 2.764 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2cnc([C@H]3CCCO3)s2)C1 ZINC000459744040 299179650 /nfs/dbraw/zinc/17/96/50/299179650.db2.gz XPFQQAPOKPFJJC-UKRRQHHQSA-N 1 3 309.479 2.816 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2cnc([C@H]3CCCO3)s2)C1 ZINC000459744040 299179656 /nfs/dbraw/zinc/17/96/56/299179656.db2.gz XPFQQAPOKPFJJC-UKRRQHHQSA-N 1 3 309.479 2.816 20 0 DFADHO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000593610972 398661794 /nfs/dbraw/zinc/66/17/94/398661794.db2.gz GLUGBXPPUVAFLJ-HNNXBMFYSA-N 1 3 310.482 2.986 20 0 DFADHO COc1ccc(OC(F)F)c(CNCC2(C)CC[NH2+]CC2)c1 ZINC000414898038 295831819 /nfs/dbraw/zinc/83/18/19/295831819.db2.gz FREQJEKANMWWJH-UHFFFAOYSA-N 1 3 314.376 2.776 20 0 DFADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@H]1CC[NH2+]C1 ZINC000414916228 295834627 /nfs/dbraw/zinc/83/46/27/295834627.db2.gz PEAVQLMDOVGRJZ-CABCVRRESA-N 1 3 303.450 2.726 20 0 DFADHO COc1cc2c(c(CNCCC[C@H]3CCC[NH2+]3)c1)O[C@@H](C)C2 ZINC000414976361 295843391 /nfs/dbraw/zinc/84/33/91/295843391.db2.gz PRCYMJQPRUOOTJ-BBRMVZONSA-N 1 3 304.434 2.640 20 0 DFADHO Cn1c2cc(Cl)ccc2nc1CNC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414998173 295845478 /nfs/dbraw/zinc/84/54/78/295845478.db2.gz IAFPZAUJAUTDRE-YPMHNXCESA-N 1 3 306.841 2.834 20 0 DFADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000415001741 295846251 /nfs/dbraw/zinc/84/62/51/295846251.db2.gz LJLVSFMDPKDKEU-HFTRVMKXSA-N 1 3 306.425 2.535 20 0 DFADHO COc1cc(OC)c(CNC[C@H]2CC[C@H](C[NH3+])CC2)c(OC)c1 ZINC000415021735 295848130 /nfs/dbraw/zinc/84/81/30/295848130.db2.gz IAYAMCCCKBNCHV-HDJSIYSDSA-N 1 3 322.449 2.567 20 0 DFADHO C(N[C@@H]1CCC[C@@H]2C[C@@H]21)C1(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)COC1 ZINC000459790448 299194412 /nfs/dbraw/zinc/19/44/12/299194412.db2.gz SFTOWHWANKLCTP-LMMHAMTPSA-N 1 3 304.478 2.559 20 0 DFADHO C(N[C@H]1CCC[C@@H]2C[C@@H]21)C1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)COC1 ZINC000459790448 299194413 /nfs/dbraw/zinc/19/44/13/299194413.db2.gz SFTOWHWANKLCTP-LMMHAMTPSA-N 1 3 304.478 2.559 20 0 DFADHO COc1ccc(Br)c(CN[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415045489 295850683 /nfs/dbraw/zinc/85/06/83/295850683.db2.gz UCPQICIPTSGAQD-PWSUYJOCSA-N 1 3 313.239 2.675 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000173911312 198268354 /nfs/dbraw/zinc/26/83/54/198268354.db2.gz PMWYRFBNUTXHGW-CQSZACIVSA-N 1 3 323.868 2.942 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000173911312 198268356 /nfs/dbraw/zinc/26/83/56/198268356.db2.gz PMWYRFBNUTXHGW-CQSZACIVSA-N 1 3 323.868 2.942 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000173956150 198273126 /nfs/dbraw/zinc/27/31/26/198273126.db2.gz HVFZLAQMQASNLI-QGZVFWFLSA-N 1 3 303.450 2.821 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1ccccc1 ZINC000173956150 198273128 /nfs/dbraw/zinc/27/31/28/198273128.db2.gz HVFZLAQMQASNLI-QGZVFWFLSA-N 1 3 303.450 2.821 20 0 DFADHO CC(C)c1ccc(C[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000105476579 398693382 /nfs/dbraw/zinc/69/33/82/398693382.db2.gz PFVAXZIXFBHRBD-UHFFFAOYSA-N 1 3 303.494 2.927 20 0 DFADHO CCN1CCN(c2cccc(N[C@H](C)C[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000415101843 295857926 /nfs/dbraw/zinc/85/79/26/295857926.db2.gz IJGPZNXGFNNEFW-SJORKVTESA-N 1 3 316.493 2.771 20 0 DFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000415104130 295858544 /nfs/dbraw/zinc/85/85/44/295858544.db2.gz GOGOHFNRAQDQKF-VQTJNVASSA-N 1 3 314.473 2.894 20 0 DFADHO Cc1ccc(F)cc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415122016 295861056 /nfs/dbraw/zinc/86/10/56/295861056.db2.gz JBRBOZNMNFBXEC-ZWKOTPCHSA-N 1 3 306.425 2.852 20 0 DFADHO Cc1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1F ZINC000415121230 295860949 /nfs/dbraw/zinc/86/09/49/295860949.db2.gz HSYVLDKUSOWZTE-WMZOPIPTSA-N 1 3 306.425 2.852 20 0 DFADHO COc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1C ZINC000415130349 295862309 /nfs/dbraw/zinc/86/23/09/295862309.db2.gz QPQUBGPRIOWGGZ-HKUYNNGSSA-N 1 3 318.461 2.722 20 0 DFADHO Cc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1F ZINC000415137204 295863793 /nfs/dbraw/zinc/86/37/93/295863793.db2.gz XYFLJNFYJHCQOL-QZTJIDSGSA-N 1 3 306.425 2.852 20 0 DFADHO Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000073895167 398707711 /nfs/dbraw/zinc/70/77/11/398707711.db2.gz OWDLXLNGIPYJLN-GOSISDBHSA-N 1 3 320.477 2.539 20 0 DFADHO Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCN(C(C)C)CC1 ZINC000073895167 398707714 /nfs/dbraw/zinc/70/77/14/398707714.db2.gz OWDLXLNGIPYJLN-GOSISDBHSA-N 1 3 320.477 2.539 20 0 DFADHO [NH3+]CC1(O)CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000415141928 295864248 /nfs/dbraw/zinc/86/42/48/295864248.db2.gz ONUDIAIVAQKBKX-UHFFFAOYSA-N 1 3 320.433 2.840 20 0 DFADHO C[C@@H](CN1CCC(O)(C[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000415143000 295864350 /nfs/dbraw/zinc/86/43/50/295864350.db2.gz AFJIFKXAUPHRCD-LBPRGKRZSA-N 1 3 316.367 2.595 20 0 DFADHO CC[C@](CN[C@@H](C)C[C@@H]1CCC[NH2+]1)(C(=O)OC)c1ccccc1 ZINC000415146889 295864882 /nfs/dbraw/zinc/86/48/82/295864882.db2.gz ZKNQKCNLJXMJIW-VDZJLULYSA-N 1 3 318.461 2.628 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129277300 283008900 /nfs/dbraw/zinc/00/89/00/283008900.db2.gz HLSUTNSRUDRCHA-CABCVRRESA-N 1 3 321.431 2.725 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130482864 283050498 /nfs/dbraw/zinc/05/04/98/283050498.db2.gz VOPKHNONRSGRSD-VQTJNVASSA-N 1 3 315.505 2.940 20 0 DFADHO CC(C)[C@@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000114729010 398746885 /nfs/dbraw/zinc/74/68/85/398746885.db2.gz VXCSSCXULVYGCK-QGZVFWFLSA-N 1 3 323.525 2.734 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)NCCN1CCC(C)CC1 ZINC000415940725 295905031 /nfs/dbraw/zinc/90/50/31/295905031.db2.gz FNKCCSSVAJBGKA-UHFFFAOYSA-N 1 3 318.465 2.650 20 0 DFADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000290679901 299233794 /nfs/dbraw/zinc/23/37/94/299233794.db2.gz HRXFRWYECGELJL-LAQRGFTBSA-N 1 3 317.477 2.524 20 0 DFADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000290679901 299233798 /nfs/dbraw/zinc/23/37/98/299233798.db2.gz HRXFRWYECGELJL-LAQRGFTBSA-N 1 3 317.477 2.524 20 0 DFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000081363259 192257709 /nfs/dbraw/zinc/25/77/09/192257709.db2.gz YWGUSXVJMZLQGV-KRWDZBQOSA-N 1 3 317.477 2.552 20 0 DFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000081363259 192257711 /nfs/dbraw/zinc/25/77/11/192257711.db2.gz YWGUSXVJMZLQGV-KRWDZBQOSA-N 1 3 317.477 2.552 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C1(C[NH3+])CCCC1)c1ccccc1 ZINC000236873459 202045648 /nfs/dbraw/zinc/04/56/48/202045648.db2.gz XJOOWXUNQXVZSH-QGZVFWFLSA-N 1 3 317.477 2.705 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000236886841 202052470 /nfs/dbraw/zinc/05/24/70/202052470.db2.gz WEXSXYWPBZCWFZ-SFHVURJKSA-N 1 3 317.477 2.806 20 0 DFADHO C/C(=C/c1ccccc1)C[NH2+]CCCN1CCCN(C)CC1 ZINC000591718900 398782838 /nfs/dbraw/zinc/78/28/38/398782838.db2.gz QOWFLQDZVJTYIH-VLGSPTGOSA-N 1 3 301.478 2.707 20 0 DFADHO CCc1ccc([C@@H](CNC(=O)[C@@]2(CC)CCC[NH2+]2)N(C)C)cc1 ZINC000134553987 283192104 /nfs/dbraw/zinc/19/21/04/283192104.db2.gz ZXBYDMWDKASEKY-IEBWSBKVSA-N 1 3 317.477 2.500 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236969666 202100332 /nfs/dbraw/zinc/10/03/32/202100332.db2.gz HCHWIHGEGBTCSE-CRAIPNDOSA-N 1 3 317.477 2.662 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236969666 202100334 /nfs/dbraw/zinc/10/03/34/202100334.db2.gz HCHWIHGEGBTCSE-CRAIPNDOSA-N 1 3 317.477 2.662 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)CCC1CC[NH2+]CC1 ZINC000237050629 202135769 /nfs/dbraw/zinc/13/57/69/202135769.db2.gz RFCHORPFVOYXIO-UHFFFAOYSA-N 1 3 303.450 2.775 20 0 DFADHO CC[C@@]1(C)CN(CCCCN2CCO[C@@](C)(CC)C2)CCO1 ZINC000135676545 283227260 /nfs/dbraw/zinc/22/72/60/283227260.db2.gz YEWHCLXMDKZZGD-ROUUACIJSA-N 1 3 312.498 2.768 20 0 DFADHO CC[C@@]1(C)CN(CCCC[N@@H+]2CCO[C@@](C)(CC)C2)CCO1 ZINC000135676545 283227262 /nfs/dbraw/zinc/22/72/62/283227262.db2.gz YEWHCLXMDKZZGD-ROUUACIJSA-N 1 3 312.498 2.768 20 0 DFADHO CC[C@@]1(C)CN(CCCC[N@H+]2CCO[C@@](C)(CC)C2)CCO1 ZINC000135676545 283227265 /nfs/dbraw/zinc/22/72/65/283227265.db2.gz YEWHCLXMDKZZGD-ROUUACIJSA-N 1 3 312.498 2.768 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1OC ZINC000237232916 202199413 /nfs/dbraw/zinc/19/94/13/202199413.db2.gz HEHIXVXLSOCVCN-HOTGVXAUSA-N 1 3 320.477 2.956 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CNCc1cccc2c1OC(C)(C)C2 ZINC000150998973 283273443 /nfs/dbraw/zinc/27/34/43/283273443.db2.gz XDWLIAPLNPKWRF-QGZVFWFLSA-N 1 3 320.477 2.847 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000594510518 398812951 /nfs/dbraw/zinc/81/29/51/398812951.db2.gz AFNFLQNAHQSKRZ-PMPSAXMXSA-N 1 3 310.482 2.817 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000594510518 398812953 /nfs/dbraw/zinc/81/29/53/398812953.db2.gz AFNFLQNAHQSKRZ-PMPSAXMXSA-N 1 3 310.482 2.817 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)C(=O)OC(C)(C)C ZINC000594613680 398832977 /nfs/dbraw/zinc/83/29/77/398832977.db2.gz QMGOQPDJISRUDQ-AWEZNQCLSA-N 1 3 319.449 2.618 20 0 DFADHO CN(C)Cc1cccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)c1 ZINC000276680032 213043651 /nfs/dbraw/zinc/04/36/51/213043651.db2.gz SSUGZKLWCYIFIX-UHFFFAOYSA-N 1 3 323.440 2.689 20 0 DFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)C(C)(C)c1ccccc1 ZINC000150950019 299272846 /nfs/dbraw/zinc/27/28/46/299272846.db2.gz YLBGJJUBBKTTRW-KRWDZBQOSA-N 1 3 317.521 2.968 20 0 DFADHO CC[C@@H](N)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000130321072 398843851 /nfs/dbraw/zinc/84/38/51/398843851.db2.gz RRKSAPWGIXHVFE-IIDMSEBBSA-N 1 3 317.477 2.518 20 0 DFADHO CC[C@@H](N)C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000130512344 398845988 /nfs/dbraw/zinc/84/59/88/398845988.db2.gz QLUHTUXOQHUNTH-GOEBONIOSA-N 1 3 305.466 2.750 20 0 DFADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc2c(c1)OCCO2 ZINC000295921299 299273760 /nfs/dbraw/zinc/27/37/60/299273760.db2.gz JWKGRKLNKGLWGD-WWTUQBGBSA-N 1 3 302.418 2.734 20 0 DFADHO CC[C@@H](C(=O)NCC1([NH+](C)C)CCCCCC1)N(CC)CC ZINC000468144943 299276913 /nfs/dbraw/zinc/27/69/13/299276913.db2.gz CSMDJUOKJNZRKG-INIZCTEOSA-N 1 3 311.514 2.878 20 0 DFADHO CN1CC[C@@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)CC1(C)C ZINC000598974058 398901366 /nfs/dbraw/zinc/90/13/66/398901366.db2.gz LGIYASWIYGTXPF-IERDGZPVSA-N 1 3 308.491 2.528 20 0 DFADHO CN(C)CCNC(=O)c1cccc(C[NH2+]CCC(C)(C)C)c1 ZINC000187812275 200160835 /nfs/dbraw/zinc/16/08/35/200160835.db2.gz KEEFOBDSTUWFLN-UHFFFAOYSA-N 1 3 305.466 2.504 20 0 DFADHO C[C@H](CNC(=O)[C@H](C)[C@@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237567104 202286087 /nfs/dbraw/zinc/28/60/87/202286087.db2.gz PHZASWRAAFILFU-YFHUEUNASA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H](CNC(=O)[C@H](C)[C@@H](N)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000237567104 202286089 /nfs/dbraw/zinc/28/60/89/202286089.db2.gz PHZASWRAAFILFU-YFHUEUNASA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)N1CCC(O)(C[NH2+]CCSCc2ccccc2)CC1 ZINC000281089719 216072240 /nfs/dbraw/zinc/07/22/40/216072240.db2.gz KBBPZNUWDPVQHH-UHFFFAOYSA-N 1 3 322.518 2.745 20 0 DFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]CCC(C)(C)C)cc1 ZINC000188266888 200219627 /nfs/dbraw/zinc/21/96/27/200219627.db2.gz XBDCWELYRVHPRM-UHFFFAOYSA-N 1 3 305.466 2.504 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000237668738 202323676 /nfs/dbraw/zinc/32/36/76/202323676.db2.gz VXRKPDXPELYZBF-SJLPKXTDSA-N 1 3 317.477 2.847 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000237668738 202323680 /nfs/dbraw/zinc/32/36/80/202323680.db2.gz VXRKPDXPELYZBF-SJLPKXTDSA-N 1 3 317.477 2.847 20 0 DFADHO NC1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCCC1 ZINC000237886807 202378814 /nfs/dbraw/zinc/37/88/14/202378814.db2.gz XKMIDLKKAHOVAW-QGZVFWFLSA-N 1 3 321.509 2.763 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417325290 296010191 /nfs/dbraw/zinc/01/01/91/296010191.db2.gz QMMKIECWWOVMLY-IXDOHACOSA-N 1 3 321.534 2.857 20 0 DFADHO CCCCNC(=O)CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000604758550 398971884 /nfs/dbraw/zinc/97/18/84/398971884.db2.gz XROGRJXININTSI-UHFFFAOYSA-N 1 3 323.525 2.881 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)[NH2+]CC1=CCN(C)CC1 ZINC000271868054 209281429 /nfs/dbraw/zinc/28/14/29/209281429.db2.gz LVYNIURATXVZSA-GOSISDBHSA-N 1 3 306.425 2.625 20 0 DFADHO COC(=O)C(C)(C)CCNCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000474620036 299337819 /nfs/dbraw/zinc/33/78/19/299337819.db2.gz ZIZWRANIEZIFFN-GASCZTMLSA-N 1 3 312.498 2.922 20 0 DFADHO COC(=O)C(C)(C)CCNCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000474620036 299337821 /nfs/dbraw/zinc/33/78/21/299337821.db2.gz ZIZWRANIEZIFFN-GASCZTMLSA-N 1 3 312.498 2.922 20 0 DFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000417812357 296053871 /nfs/dbraw/zinc/05/38/71/296053871.db2.gz LEIDLRJNJJYIBJ-HZPDHXFCSA-N 1 3 305.466 2.544 20 0 DFADHO CN1CC[C@@H](C[N@H+](C)C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000275426893 212324895 /nfs/dbraw/zinc/32/48/95/212324895.db2.gz FMHVVIXZTMNTIP-DOMZBBRYSA-N 1 3 316.367 2.622 20 0 DFADHO CN1CC[C@@H](C[N@@H+](C)C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000275426893 212324897 /nfs/dbraw/zinc/32/48/97/212324897.db2.gz FMHVVIXZTMNTIP-DOMZBBRYSA-N 1 3 316.367 2.622 20 0 DFADHO Cn1c2ccccc2nc1CNCCCCC[NH+]1CCCC1 ZINC000292988744 223339741 /nfs/dbraw/zinc/33/97/41/223339741.db2.gz LXXDTNARPUKCFR-UHFFFAOYSA-N 1 3 300.450 2.929 20 0 DFADHO C[C@@H]1C[N@H+](CC[C@H]2CCCN2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599587175 399022767 /nfs/dbraw/zinc/02/27/67/399022767.db2.gz DMLGAPWUPMMBKG-BZUAXINKSA-N 1 3 310.482 2.770 20 0 DFADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599587175 399022771 /nfs/dbraw/zinc/02/27/71/399022771.db2.gz DMLGAPWUPMMBKG-BZUAXINKSA-N 1 3 310.482 2.770 20 0 DFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H](C)CCCC[NH3+])cc1 ZINC000418352571 296087684 /nfs/dbraw/zinc/08/76/84/296087684.db2.gz MTCBLMBCRUICBX-YOEHRIQHSA-N 1 3 320.481 2.627 20 0 DFADHO c1ccc([C@H]2OCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000477925142 299364274 /nfs/dbraw/zinc/36/42/74/299364274.db2.gz HWUKPECPGOSWPY-FCGDIQPGSA-N 1 3 300.446 2.981 20 0 DFADHO c1ccc([C@H]2OCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000477925142 299364277 /nfs/dbraw/zinc/36/42/77/299364277.db2.gz HWUKPECPGOSWPY-FCGDIQPGSA-N 1 3 300.446 2.981 20 0 DFADHO c1ccc([C@H]2OCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000477925141 299364640 /nfs/dbraw/zinc/36/46/40/299364640.db2.gz HWUKPECPGOSWPY-AKHDSKFASA-N 1 3 300.446 2.981 20 0 DFADHO c1ccc([C@H]2OCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000477925141 299364648 /nfs/dbraw/zinc/36/46/48/299364648.db2.gz HWUKPECPGOSWPY-AKHDSKFASA-N 1 3 300.446 2.981 20 0 DFADHO CC(=O)N1CC[C@H]([NH2+]CC(C)(C)CN(C)C)c2ccccc21 ZINC000621749074 399064032 /nfs/dbraw/zinc/06/40/32/399064032.db2.gz RITOFDJIUMVLTP-INIZCTEOSA-N 1 3 303.450 2.662 20 0 DFADHO CC(=O)N1CC[C@H](NCC[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000621763131 399072446 /nfs/dbraw/zinc/07/24/46/399072446.db2.gz RCPBCIRROHTVKG-AEFFLSMTSA-N 1 3 315.461 2.806 20 0 DFADHO CC(=O)N1CC[C@H](NCC[C@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000621763131 399072453 /nfs/dbraw/zinc/07/24/53/399072453.db2.gz RCPBCIRROHTVKG-AEFFLSMTSA-N 1 3 315.461 2.806 20 0 DFADHO COCCCOc1cccc(C[N@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000092253959 193181479 /nfs/dbraw/zinc/18/14/79/193181479.db2.gz QRPJOIHVYYZMFU-SFHVURJKSA-N 1 3 320.477 2.876 20 0 DFADHO COCCCOc1cccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000092253959 193181480 /nfs/dbraw/zinc/18/14/80/193181480.db2.gz QRPJOIHVYYZMFU-SFHVURJKSA-N 1 3 320.477 2.876 20 0 DFADHO CC[C@H](CN1CCC[C@@H]([N@H+](C)C[C@H](CC)OC)CC1)OC ZINC000419247565 296130033 /nfs/dbraw/zinc/13/00/33/296130033.db2.gz XFZGZFCMKDCAEY-IXDOHACOSA-N 1 3 300.487 2.623 20 0 DFADHO CC[C@H](CN1CCC[C@@H]([N@@H+](C)C[C@H](CC)OC)CC1)OC ZINC000419247565 296130034 /nfs/dbraw/zinc/13/00/34/296130034.db2.gz XFZGZFCMKDCAEY-IXDOHACOSA-N 1 3 300.487 2.623 20 0 DFADHO CC[C@H](C[N@H+]1CCC[C@@H](N(C)C[C@H](CC)OC)CC1)OC ZINC000419247565 296130036 /nfs/dbraw/zinc/13/00/36/296130036.db2.gz XFZGZFCMKDCAEY-IXDOHACOSA-N 1 3 300.487 2.623 20 0 DFADHO CC[C@H](C[N@@H+]1CCC[C@@H](N(C)C[C@H](CC)OC)CC1)OC ZINC000419247565 296130038 /nfs/dbraw/zinc/13/00/38/296130038.db2.gz XFZGZFCMKDCAEY-IXDOHACOSA-N 1 3 300.487 2.623 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000261679388 203091950 /nfs/dbraw/zinc/09/19/50/203091950.db2.gz GRFZGQZYYOCLSK-DJIMGWMZSA-N 1 3 317.477 2.607 20 0 DFADHO CCC[C@@](C)(N)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000261977330 203165472 /nfs/dbraw/zinc/16/54/72/203165472.db2.gz QXUUAKQGTUXTIL-GOSISDBHSA-N 1 3 305.466 2.662 20 0 DFADHO C[C@H](N[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccc(NC(N)=O)cc1 ZINC000123049423 299398851 /nfs/dbraw/zinc/39/88/51/299398851.db2.gz KTWNSCDYSKBKOB-NFFDBFGFSA-N 1 3 304.438 2.557 20 0 DFADHO C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccc(NC(N)=O)cc1 ZINC000123049423 299398854 /nfs/dbraw/zinc/39/88/54/299398854.db2.gz KTWNSCDYSKBKOB-NFFDBFGFSA-N 1 3 304.438 2.557 20 0 DFADHO CCC[C@](C)(N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000262095442 203197003 /nfs/dbraw/zinc/19/70/03/203197003.db2.gz BNVRURBJTHKWQY-YJBOKZPZSA-N 1 3 305.466 2.531 20 0 DFADHO CCC[C@](C)(N)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000262095442 203197006 /nfs/dbraw/zinc/19/70/06/203197006.db2.gz BNVRURBJTHKWQY-YJBOKZPZSA-N 1 3 305.466 2.531 20 0 DFADHO CCC[C@@](C)(N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000262092635 203197106 /nfs/dbraw/zinc/19/71/06/203197106.db2.gz AVFWHTHIIORGCR-LJQANCHMSA-N 1 3 317.477 2.532 20 0 DFADHO CCN1CCN(CCC[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000275014563 212073947 /nfs/dbraw/zinc/07/39/47/212073947.db2.gz RJWAXLIOAXKCRS-UHFFFAOYSA-N 1 3 313.848 2.596 20 0 DFADHO C[C@H](CNC(=O)[C@H](C)[C@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262672916 203374902 /nfs/dbraw/zinc/37/49/02/203374902.db2.gz PHZASWRAAFILFU-KONPQCLYSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H](CNC(=O)[C@H](C)[C@H](N)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000262672916 203374907 /nfs/dbraw/zinc/37/49/07/203374907.db2.gz PHZASWRAAFILFU-KONPQCLYSA-N 1 3 317.477 2.559 20 0 DFADHO CCC[C@@](C)(N)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000262700303 203385982 /nfs/dbraw/zinc/38/59/82/203385982.db2.gz HQIVPZZTRHDOMB-GOSISDBHSA-N 1 3 305.466 2.614 20 0 DFADHO COC(=O)c1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000595901645 399129136 /nfs/dbraw/zinc/12/91/36/399129136.db2.gz ZMKBMAMPHGTHMK-AWEZNQCLSA-N 1 3 322.474 2.746 20 0 DFADHO CSc1ccc([C@H](C[NH2+][C@H]2CCN(C)C[C@H]2C)N(C)C)cc1 ZINC000340530690 284189376 /nfs/dbraw/zinc/18/93/76/284189376.db2.gz GDQIDPGKYVXMJO-JLSDUUJJSA-N 1 3 321.534 2.941 20 0 DFADHO CSc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000340530690 284189377 /nfs/dbraw/zinc/18/93/77/284189377.db2.gz GDQIDPGKYVXMJO-JLSDUUJJSA-N 1 3 321.534 2.941 20 0 DFADHO CSc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000340530690 284189383 /nfs/dbraw/zinc/18/93/83/284189383.db2.gz GDQIDPGKYVXMJO-JLSDUUJJSA-N 1 3 321.534 2.941 20 0 DFADHO CSC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274964648 212046333 /nfs/dbraw/zinc/04/63/33/212046333.db2.gz XFKATDJSDFTTNO-BPQIPLTHSA-N 1 3 322.518 2.601 20 0 DFADHO C[C@H](CN1CCCCCC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000483966583 299415239 /nfs/dbraw/zinc/41/52/39/299415239.db2.gz WOOGVEHVCVVSBR-QGZVFWFLSA-N 1 3 323.525 2.879 20 0 DFADHO CCOc1cc2nccc(N3CCC[NH2+]CC3)c2cc1OCC ZINC000420169238 296160147 /nfs/dbraw/zinc/16/01/47/296160147.db2.gz QGVKEFVBQIPVAB-UHFFFAOYSA-N 1 3 315.417 2.832 20 0 DFADHO CCOc1cc2nccc(N[C@@H](C)CC[NH3+])c2cc1OCC ZINC000420225507 296163631 /nfs/dbraw/zinc/16/36/31/296163631.db2.gz JCYPGKWZPQMVFU-LBPRGKRZSA-N 1 3 303.406 2.603 20 0 DFADHO CCCc1cc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c2ccccc2n1 ZINC000420253143 296165958 /nfs/dbraw/zinc/16/59/58/296165958.db2.gz DCSFQAVODDLPPU-QGZVFWFLSA-N 1 3 324.472 2.671 20 0 DFADHO [NH3+]CC1CCN(Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000420277296 296168357 /nfs/dbraw/zinc/16/83/57/296168357.db2.gz SVPGKWNCMHVFFY-UHFFFAOYSA-N 1 3 311.429 2.831 20 0 DFADHO CC(C)(C)OC(=O)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000596062549 399160143 /nfs/dbraw/zinc/16/01/43/399160143.db2.gz HVJBBKMWSGIMDP-IXDOHACOSA-N 1 3 322.493 2.961 20 0 DFADHO CC(C)(C)OC(=O)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000596062549 399160144 /nfs/dbraw/zinc/16/01/44/399160144.db2.gz HVJBBKMWSGIMDP-IXDOHACOSA-N 1 3 322.493 2.961 20 0 DFADHO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCN1CCNCC1 ZINC000420297148 296170930 /nfs/dbraw/zinc/17/09/30/296170930.db2.gz FOSMVSBBYXMNCG-MOPGFXCFSA-N 1 3 301.478 2.550 20 0 DFADHO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCN1CCNCC1 ZINC000420297148 296170932 /nfs/dbraw/zinc/17/09/32/296170932.db2.gz FOSMVSBBYXMNCG-MOPGFXCFSA-N 1 3 301.478 2.550 20 0 DFADHO CC(C)(C)OC(=O)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000596062547 399159941 /nfs/dbraw/zinc/15/99/41/399159941.db2.gz HVJBBKMWSGIMDP-GVDBMIGSSA-N 1 3 322.493 2.961 20 0 DFADHO CC(C)(C)OC(=O)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000596062547 399159945 /nfs/dbraw/zinc/15/99/45/399159945.db2.gz HVJBBKMWSGIMDP-GVDBMIGSSA-N 1 3 322.493 2.961 20 0 DFADHO Brc1cccc2c1CN(CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420306565 296172541 /nfs/dbraw/zinc/17/25/41/296172541.db2.gz QKZMYPQEAUNZHG-LBPRGKRZSA-N 1 3 309.251 2.807 20 0 DFADHO [NH3+]C[C@@H]1CN([C@H]2CCCc3ccc(F)cc32)CC12CCOCC2 ZINC000420325547 296175543 /nfs/dbraw/zinc/17/55/43/296175543.db2.gz IUMXWAMXGCLNCQ-QAPCUYQASA-N 1 3 318.436 2.890 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C(C)C ZINC000341906927 284287479 /nfs/dbraw/zinc/28/74/79/284287479.db2.gz YOLYSGYQVQUKJK-GOSISDBHSA-N 1 3 304.482 2.618 20 0 DFADHO Cc1ccccc1CCC[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000420335982 296177122 /nfs/dbraw/zinc/17/71/22/296177122.db2.gz VHZAFEIYOWYVKY-GOSISDBHSA-N 1 3 302.462 2.615 20 0 DFADHO Cc1ccccc1CCC[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000420335982 296177123 /nfs/dbraw/zinc/17/71/23/296177123.db2.gz VHZAFEIYOWYVKY-GOSISDBHSA-N 1 3 302.462 2.615 20 0 DFADHO CCc1ccc(NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420343906 296177726 /nfs/dbraw/zinc/17/77/26/296177726.db2.gz RRIGSBAQUKIVKB-IAGOWNOFSA-N 1 3 315.461 2.509 20 0 DFADHO COc1ccc([C@H](C[NH3+])CN(C)C[C@@H](C)c2nccs2)cc1 ZINC000420354744 296179296 /nfs/dbraw/zinc/17/92/96/296179296.db2.gz DFDRADMGTYDFBB-UKRRQHHQSA-N 1 3 319.474 2.930 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+](C)C[C@@H](C)c2nccs2)cc1 ZINC000420354744 296179298 /nfs/dbraw/zinc/17/92/98/296179298.db2.gz DFDRADMGTYDFBB-UKRRQHHQSA-N 1 3 319.474 2.930 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+](C)C[C@@H](C)c2nccs2)cc1 ZINC000420354744 296179299 /nfs/dbraw/zinc/17/92/99/296179299.db2.gz DFDRADMGTYDFBB-UKRRQHHQSA-N 1 3 319.474 2.930 20 0 DFADHO Clc1ccccc1CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000420360932 296180009 /nfs/dbraw/zinc/18/00/09/296180009.db2.gz MPGJGNXZWICPLZ-UHFFFAOYSA-N 1 3 321.896 2.847 20 0 DFADHO C[C@@H](CC(=O)OC(C)(C)C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596096638 399171612 /nfs/dbraw/zinc/17/16/12/399171612.db2.gz WCCFJGSUEMBKOG-GOEBONIOSA-N 1 3 310.482 2.818 20 0 DFADHO C[C@@H](CC(=O)OC(C)(C)C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096638 399171621 /nfs/dbraw/zinc/17/16/21/399171621.db2.gz WCCFJGSUEMBKOG-GOEBONIOSA-N 1 3 310.482 2.818 20 0 DFADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000596096638 399171625 /nfs/dbraw/zinc/17/16/25/399171625.db2.gz WCCFJGSUEMBKOG-GOEBONIOSA-N 1 3 310.482 2.818 20 0 DFADHO c1ccc(CC[C@@H]2CN(CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364345 296180302 /nfs/dbraw/zinc/18/03/02/296180302.db2.gz QOIBFQRMLLSCBE-RTBURBONSA-N 1 3 302.462 2.710 20 0 DFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2c2ccncc2)cc1 ZINC000420363965 296180485 /nfs/dbraw/zinc/18/04/85/296180485.db2.gz QERZFBVMOPXTBX-IEBWSBKVSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000420363965 296180486 /nfs/dbraw/zinc/18/04/86/296180486.db2.gz QERZFBVMOPXTBX-IEBWSBKVSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000420363965 296180488 /nfs/dbraw/zinc/18/04/88/296180488.db2.gz QERZFBVMOPXTBX-IEBWSBKVSA-N 1 3 311.429 2.970 20 0 DFADHO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCNCC3(C)C)cc2)n1 ZINC000420373547 296182455 /nfs/dbraw/zinc/18/24/55/296182455.db2.gz ZMMBTXGOKMAJJY-GOSISDBHSA-N 1 3 312.461 2.967 20 0 DFADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOC3CCCCCC3)CC2)C1 ZINC000420384760 296184108 /nfs/dbraw/zinc/18/41/08/296184108.db2.gz GTORBBFFKCETRK-HKUYNNGSSA-N 1 3 324.509 2.944 20 0 DFADHO COc1ccc([C@H](CN)C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)cc1 ZINC000420404624 296186925 /nfs/dbraw/zinc/18/69/25/296186925.db2.gz MKPOGJDPGKWXJH-NZSAHSFTSA-N 1 3 320.477 2.921 20 0 DFADHO CC(C)(C)c1cccc(OCCCN2CCC(O)(C[NH3+])CC2)c1 ZINC000420403082 296186624 /nfs/dbraw/zinc/18/66/24/296186624.db2.gz KFKJTRURBUYASG-UHFFFAOYSA-N 1 3 320.477 2.539 20 0 DFADHO C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282788102 217250986 /nfs/dbraw/zinc/25/09/86/217250986.db2.gz YIOPOVQBXNNQSB-HNNXBMFYSA-N 1 3 323.912 2.887 20 0 DFADHO CC[C@@H]1CN(C)CCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000614342011 399214362 /nfs/dbraw/zinc/21/43/62/399214362.db2.gz MAJRJCKNAUTOPY-QZTJIDSGSA-N 1 3 317.477 2.622 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CCCOCC3)cc2)CC1 ZINC000342810760 284420681 /nfs/dbraw/zinc/42/06/81/284420681.db2.gz BUJCEUBAPWNIOA-QGZVFWFLSA-N 1 3 318.461 2.818 20 0 DFADHO CCOC(=O)C1(C)CC([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000601266634 399266551 /nfs/dbraw/zinc/26/65/51/399266551.db2.gz PIWFDODNGHUBDV-UHFFFAOYSA-N 1 3 308.466 2.715 20 0 DFADHO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C1(C)C ZINC000608579145 399276287 /nfs/dbraw/zinc/27/62/87/399276287.db2.gz CCWSLEARRKMBNJ-IEBWSBKVSA-N 1 3 320.477 2.920 20 0 DFADHO CCOC(=O)CCC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000614911501 399280461 /nfs/dbraw/zinc/28/04/61/399280461.db2.gz PYMLZQKEJZGJRD-UHFFFAOYSA-N 1 3 310.482 2.918 20 0 DFADHO CC[C@@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)N(CC)CC ZINC000344648564 284665972 /nfs/dbraw/zinc/66/59/72/284665972.db2.gz DGJSZNMGKXTANU-IRXDYDNUSA-N 1 3 311.514 2.734 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C)nc(C)c2)[C@H](C)C1 ZINC000421879454 296278563 /nfs/dbraw/zinc/27/85/63/296278563.db2.gz NEWDAWXDVLQENE-BEFAXECRSA-N 1 3 319.493 2.925 20 0 DFADHO CN1CCN(CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1Cc1ccccc1 ZINC000284681267 218131770 /nfs/dbraw/zinc/13/17/70/218131770.db2.gz GXXGDZLXLUWOQN-UXHICEINSA-N 1 3 315.505 2.720 20 0 DFADHO CN1CCN(CC[C@H]2CCCC[N@H+]2C)C[C@@H]1Cc1ccccc1 ZINC000284681267 218131772 /nfs/dbraw/zinc/13/17/72/218131772.db2.gz GXXGDZLXLUWOQN-UXHICEINSA-N 1 3 315.505 2.720 20 0 DFADHO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cn1 ZINC000623364085 399373275 /nfs/dbraw/zinc/37/32/75/399373275.db2.gz SDRJRCSHMDLCMS-MRXNPFEDSA-N 1 3 304.482 2.890 20 0 DFADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccccc2Cl)CC1 ZINC000106126864 194186972 /nfs/dbraw/zinc/18/69/72/194186972.db2.gz NMXSUTWUQSGDJP-AWEZNQCLSA-N 1 3 310.869 2.865 20 0 DFADHO Cc1ccc(CN2CCC(C[NH2+]Cc3cncn3C)CC2)cc1 ZINC000106486896 194218969 /nfs/dbraw/zinc/21/89/69/194218969.db2.gz SUYRMSHPCUOPHD-UHFFFAOYSA-N 1 3 312.461 2.730 20 0 DFADHO Cc1ccc(C[NH+]2CCC(CNCc3cncn3C)CC2)cc1 ZINC000106486896 194218971 /nfs/dbraw/zinc/21/89/71/194218971.db2.gz SUYRMSHPCUOPHD-UHFFFAOYSA-N 1 3 312.461 2.730 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H](N)Cc2ccccc2)[C@@H]1C ZINC000602024059 399386888 /nfs/dbraw/zinc/38/68/88/399386888.db2.gz ZOXRSODMAORCMU-SPUZQDLCSA-N 1 3 318.461 2.514 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc3n[nH]cc32)C[C@H](C)O1 ZINC000623425313 399386905 /nfs/dbraw/zinc/38/69/05/399386905.db2.gz XWIIMHAJRQTTEE-GJZGRUSLSA-N 1 3 316.449 2.542 20 0 DFADHO COc1cccc(O[C@@H](C)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623432148 399388283 /nfs/dbraw/zinc/38/82/83/399388283.db2.gz GIRLRNJVUNTHNT-LSDHHAIUSA-N 1 3 306.450 2.925 20 0 DFADHO COc1cccc(O[C@@H](C)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623432148 399388284 /nfs/dbraw/zinc/38/82/84/399388284.db2.gz GIRLRNJVUNTHNT-LSDHHAIUSA-N 1 3 306.450 2.925 20 0 DFADHO COc1ccc(O[C@@H](C)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623432835 399388875 /nfs/dbraw/zinc/38/88/75/399388875.db2.gz LTFDXXHOHJRENE-LSDHHAIUSA-N 1 3 306.450 2.925 20 0 DFADHO COc1ccc(O[C@@H](C)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623432835 399388878 /nfs/dbraw/zinc/38/88/78/399388878.db2.gz LTFDXXHOHJRENE-LSDHHAIUSA-N 1 3 306.450 2.925 20 0 DFADHO Cc1cccn2cc(CCN[C@@H]3CC[N@@H+](C)C(C)(C)C3)nc12 ZINC000623438320 399389335 /nfs/dbraw/zinc/38/93/35/399389335.db2.gz VOQIOFQJRPPUSQ-OAHLLOKOSA-N 1 3 300.450 2.648 20 0 DFADHO Cc1cccn2cc(CCN[C@@H]3CC[N@H+](C)C(C)(C)C3)nc12 ZINC000623438320 399389337 /nfs/dbraw/zinc/38/93/37/399389337.db2.gz VOQIOFQJRPPUSQ-OAHLLOKOSA-N 1 3 300.450 2.648 20 0 DFADHO COCC[N@H+](C)CCCN[C@@H]1CCCc2ccc(OC)cc21 ZINC000268837109 207002836 /nfs/dbraw/zinc/00/28/36/207002836.db2.gz SJJBWELDOSJWLU-GOSISDBHSA-N 1 3 306.450 2.631 20 0 DFADHO COCC[N@@H+](C)CCCN[C@@H]1CCCc2ccc(OC)cc21 ZINC000268837109 207002840 /nfs/dbraw/zinc/00/28/40/207002840.db2.gz SJJBWELDOSJWLU-GOSISDBHSA-N 1 3 306.450 2.631 20 0 DFADHO C[C@@H]1C[C@@H](C)N(Cc2cc(-n3ccnc3)cs2)C[C@H]1C[NH3+] ZINC000422562483 296312909 /nfs/dbraw/zinc/31/29/09/296312909.db2.gz QLAICCJLMLRNBH-MGPQQGTHSA-N 1 3 304.463 2.739 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000268851370 207018138 /nfs/dbraw/zinc/01/81/38/207018138.db2.gz CXCBJBUWGJRZAH-MRXNPFEDSA-N 1 3 317.477 2.677 20 0 DFADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cccc(OCCN(C)C)c1 ZINC000268862328 207031988 /nfs/dbraw/zinc/03/19/88/207031988.db2.gz FLFUZMHOKSKVDT-ZOBUZTSGSA-N 1 3 306.450 2.703 20 0 DFADHO CCCN1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000619895432 399401174 /nfs/dbraw/zinc/40/11/74/399401174.db2.gz LAQGXYWBFGPXEB-SFHVURJKSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422700492 296318389 /nfs/dbraw/zinc/31/83/89/296318389.db2.gz CAVIFFBWVHRCNF-BEFAXECRSA-N 1 3 319.468 2.768 20 0 DFADHO C[C@H](NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422699053 296318217 /nfs/dbraw/zinc/31/82/17/296318217.db2.gz CHOCCBAGXKSAIT-YJBOKZPZSA-N 1 3 301.478 2.553 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000422710230 296319739 /nfs/dbraw/zinc/31/97/39/296319739.db2.gz FJLXTPPUFHWKJJ-LSDHHAIUSA-N 1 3 324.472 2.951 20 0 DFADHO c1ccc([C@H]2C[C@H]([NH2+]C3CCN(CC4CC4)CC3)CCN2)cc1 ZINC000422710608 296319755 /nfs/dbraw/zinc/31/97/55/296319755.db2.gz FDHBNONWWAPFOQ-WOJBJXKFSA-N 1 3 313.489 2.944 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(COC2CCOCC2)c1 ZINC000422713432 296320058 /nfs/dbraw/zinc/32/00/58/296320058.db2.gz PRCZYXUZNLTZDV-PKOBYXMFSA-N 1 3 318.461 2.599 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@]2(CO)C[C@H]2c2ccccc2)CC1(C)C ZINC000623527774 399409303 /nfs/dbraw/zinc/40/93/03/399409303.db2.gz GRDPKCYXWJFZCR-JENIJYKNSA-N 1 3 302.462 2.615 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@]2(CO)C[C@H]2c2ccccc2)CC1(C)C ZINC000623527774 399409306 /nfs/dbraw/zinc/40/93/06/399409306.db2.gz GRDPKCYXWJFZCR-JENIJYKNSA-N 1 3 302.462 2.615 20 0 DFADHO C[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC000422720762 296321315 /nfs/dbraw/zinc/32/13/15/296321315.db2.gz TWCKNILJWJPIRK-AYOQOUSVSA-N 1 3 301.478 2.683 20 0 DFADHO Cc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)ccn1 ZINC000623563831 399417262 /nfs/dbraw/zinc/41/72/62/399417262.db2.gz LHOQBWMZBCKIKU-UHFFFAOYSA-N 1 3 310.445 2.787 20 0 DFADHO C[C@@H](N[C@H](CN1CCc2ccccc2C1)C(C)(C)C)C1C[NH2+]C1 ZINC000422725375 296322147 /nfs/dbraw/zinc/32/21/47/296322147.db2.gz BFEBMHKJFMPCRT-DNVCBOLYSA-N 1 3 315.505 2.657 20 0 DFADHO C[C@@H](NC[C@H](c1ccccc1)N1CCC(C)CC1)C1C[NH2+]C1 ZINC000422730429 296322837 /nfs/dbraw/zinc/32/28/37/296322837.db2.gz DXSASQVKVVUYLZ-VQIMIIECSA-N 1 3 301.478 2.657 20 0 DFADHO CCN(CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422729063 296322902 /nfs/dbraw/zinc/32/29/02/296322902.db2.gz HIQMYKBDGKTKEI-ZZJWQFMZSA-N 1 3 301.478 2.942 20 0 DFADHO CCc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000422726766 296322421 /nfs/dbraw/zinc/32/24/21/296322421.db2.gz AMDHERKWIAHITF-SWDXFRIISA-N 1 3 301.478 2.724 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422727817 296322448 /nfs/dbraw/zinc/32/24/48/296322448.db2.gz HZBSUTNMYXAPQI-FCGDIQPGSA-N 1 3 319.468 2.939 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]CC[C@@H]2CCCOC2)cc1 ZINC000623591873 399423362 /nfs/dbraw/zinc/42/33/62/399423362.db2.gz KVCXQHPGYJWOBR-KRWDZBQOSA-N 1 3 306.450 2.533 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000269051881 207199631 /nfs/dbraw/zinc/19/96/31/207199631.db2.gz VZRBLLOUSRINTB-HZPDHXFCSA-N 1 3 300.450 2.922 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cccc(OCCN(C)C)c1 ZINC000269048581 207199140 /nfs/dbraw/zinc/19/91/40/207199140.db2.gz WZZZZGYVGIAZLK-VDZJLULYSA-N 1 3 320.477 2.829 20 0 DFADHO COCCOc1cccc(C[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000623656321 399437400 /nfs/dbraw/zinc/43/74/00/399437400.db2.gz RZDHWLJQLZUQII-KRWDZBQOSA-N 1 3 306.450 2.533 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cnn(Cc2ccccc2)c1 ZINC000269051883 207201354 /nfs/dbraw/zinc/20/13/54/207201354.db2.gz VZRBLLOUSRINTB-JKSUJKDBSA-N 1 3 300.450 2.922 20 0 DFADHO c1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422736459 296323624 /nfs/dbraw/zinc/32/36/24/296323624.db2.gz YBRKXKLAAHMXRA-YDZRNGNQSA-N 1 3 300.446 2.811 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000422738252 296324086 /nfs/dbraw/zinc/32/40/86/296324086.db2.gz JHQXRVVPMJVKCY-OTWHNJEPSA-N 1 3 301.478 2.901 20 0 DFADHO CC1CCN([C@H](CN[C@H]2CCC[C@H]2[NH3+])c2cccs2)CC1 ZINC000422743373 296325016 /nfs/dbraw/zinc/32/50/16/296325016.db2.gz IJOFUHQWEGIMJH-OWCLPIDISA-N 1 3 307.507 2.991 20 0 DFADHO CC1CCN([C@H](C[NH2+][C@H]2CCC[C@H]2N)c2cccs2)CC1 ZINC000422743373 296325017 /nfs/dbraw/zinc/32/50/17/296325017.db2.gz IJOFUHQWEGIMJH-OWCLPIDISA-N 1 3 307.507 2.991 20 0 DFADHO CCN1CCC[C@@H]1CN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422752846 296327040 /nfs/dbraw/zinc/32/70/40/296327040.db2.gz HOQUYZGXWJLHBZ-QRQLOZEOSA-N 1 3 317.477 2.562 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000422754937 296327488 /nfs/dbraw/zinc/32/74/88/296327488.db2.gz GJQSDQOAJLPYEV-INMHGKMJSA-N 1 3 305.441 2.691 20 0 DFADHO Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422752427 296326897 /nfs/dbraw/zinc/32/68/97/296326897.db2.gz GYYGTMGGXZQFOD-ZBFHGGJFSA-N 1 3 300.450 2.713 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000422762993 296328970 /nfs/dbraw/zinc/32/89/70/296328970.db2.gz OHWHDMSXRZNWAE-CVEARBPZSA-N 1 3 308.853 2.858 20 0 DFADHO Cc1ccc([C@H](C)CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422762257 296328800 /nfs/dbraw/zinc/32/88/00/296328800.db2.gz MKJOJEYAQNAWLJ-OQIJWPOYSA-N 1 3 302.462 2.845 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422762361 296328804 /nfs/dbraw/zinc/32/88/04/296328804.db2.gz NRBQXNSBKGLZIX-XQQFMLRXSA-N 1 3 313.392 2.582 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000422762122 296328859 /nfs/dbraw/zinc/32/88/59/296328859.db2.gz NNVSQDFJQAXDRA-AYBZRNKSSA-N 1 3 322.468 2.877 20 0 DFADHO CC[C@@H](NCC1(N2CCOCC2)CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422763444 296328885 /nfs/dbraw/zinc/32/88/85/296328885.db2.gz OQWMZYDJVBAQIE-QZTJIDSGSA-N 1 3 323.525 2.532 20 0 DFADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)[C@H]1CCCCN1 ZINC000422763444 296328886 /nfs/dbraw/zinc/32/88/86/296328886.db2.gz OQWMZYDJVBAQIE-QZTJIDSGSA-N 1 3 323.525 2.532 20 0 DFADHO CCOc1ccc(CCN[C@@H]2CCC[NH2+]CC2)cc1OCC ZINC000422764004 296329363 /nfs/dbraw/zinc/32/93/63/296329363.db2.gz PFMHVAJTDYYDOZ-MRXNPFEDSA-N 1 3 306.450 2.758 20 0 DFADHO CCOc1ccc(CC[NH2+][C@@H]2CCCNCC2)cc1OCC ZINC000422764004 296329365 /nfs/dbraw/zinc/32/93/65/296329365.db2.gz PFMHVAJTDYYDOZ-MRXNPFEDSA-N 1 3 306.450 2.758 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000422769932 296330412 /nfs/dbraw/zinc/33/04/12/296330412.db2.gz VPHKPYWBPKDQQS-LRDDRELGSA-N 1 3 318.490 2.864 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@H]3CC[NH2+]CC[C@H]3C)C2)c1 ZINC000422770060 296330267 /nfs/dbraw/zinc/33/02/67/296330267.db2.gz WHVAJLFCZIWDRY-GJYPPUQNSA-N 1 3 317.477 2.642 20 0 DFADHO Cc1nc2ccccc2n1CCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422782649 296331827 /nfs/dbraw/zinc/33/18/27/296331827.db2.gz JWMPTAYWXVIJNA-DNVCBOLYSA-N 1 3 322.456 2.893 20 0 DFADHO C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)C1CNC1 ZINC000422779740 296331486 /nfs/dbraw/zinc/33/14/86/296331486.db2.gz GLATWVNVYNTINL-ZDUSSCGKSA-N 1 3 307.869 2.502 20 0 DFADHO Cc1cc(C)c(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422777391 296331488 /nfs/dbraw/zinc/33/14/88/296331488.db2.gz FMTMAHRCVLHBTB-GUDVDZBRSA-N 1 3 302.462 2.859 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCNc1ncc(Cl)cc1Cl ZINC000422786348 296332519 /nfs/dbraw/zinc/33/25/19/296332519.db2.gz QFKWYXKRGQIRSW-CABZTGNLSA-N 1 3 303.237 2.517 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422786348 296332520 /nfs/dbraw/zinc/33/25/20/296332520.db2.gz QFKWYXKRGQIRSW-CABZTGNLSA-N 1 3 303.237 2.517 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422782224 296331982 /nfs/dbraw/zinc/33/19/82/296331982.db2.gz FZDQXOUQUKAYDP-RDTXWAMCSA-N 1 3 316.424 2.661 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422782224 296331985 /nfs/dbraw/zinc/33/19/85/296331985.db2.gz FZDQXOUQUKAYDP-RDTXWAMCSA-N 1 3 316.424 2.661 20 0 DFADHO C[C@H](CCC[NH3+])N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422783609 296332245 /nfs/dbraw/zinc/33/22/45/296332245.db2.gz OMGGGBIAKYAYLS-OCCSQVGLSA-N 1 3 309.841 2.552 20 0 DFADHO C[C@H](NCCc1csc(-c2ccccc2)n1)[C@@H]1CC[NH2+]C1 ZINC000422785689 296332782 /nfs/dbraw/zinc/33/27/82/296332782.db2.gz NVKCNPOMGOFELM-DZGCQCFKSA-N 1 3 301.459 2.940 20 0 DFADHO Cc1cccc(O[C@H](C)CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422787998 296332904 /nfs/dbraw/zinc/33/29/04/296332904.db2.gz MVQNALJUNPITSM-QXCFHYIPSA-N 1 3 318.461 2.509 20 0 DFADHO CCOC(=O)[C@](C)(CN[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000602629747 399496673 /nfs/dbraw/zinc/49/66/73/399496673.db2.gz JFZOUASKDOWEMU-SZVBFZGTSA-N 1 3 318.461 2.580 20 0 DFADHO CCOC(=O)[C@](C)(CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000602629747 399496681 /nfs/dbraw/zinc/49/66/81/399496681.db2.gz JFZOUASKDOWEMU-SZVBFZGTSA-N 1 3 318.461 2.580 20 0 DFADHO CCCC[NH+]1CCC(N[C@H](C)c2ccc(CN)nc2C)CC1 ZINC000422793100 296333674 /nfs/dbraw/zinc/33/36/74/296333674.db2.gz XVUNJBBKMWBACD-CQSZACIVSA-N 1 3 304.482 2.764 20 0 DFADHO CCCC[NH+]1CCC(N[C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000422793099 296333689 /nfs/dbraw/zinc/33/36/89/296333689.db2.gz XVUNJBBKMWBACD-AWEZNQCLSA-N 1 3 304.482 2.764 20 0 DFADHO CCC[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1)N(C)C ZINC000422792309 296333787 /nfs/dbraw/zinc/33/37/87/296333787.db2.gz DIHREUNQBMQPDK-IAGOWNOFSA-N 1 3 305.466 2.656 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)c1cccc(OC)c1 ZINC000422795637 296334446 /nfs/dbraw/zinc/33/44/46/296334446.db2.gz IALZLNQZHXYBBP-AYOQOUSVSA-N 1 3 319.493 2.666 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)c1cccc(OC)c1 ZINC000422795636 296334465 /nfs/dbraw/zinc/33/44/65/296334465.db2.gz IALZLNQZHXYBBP-ATZDWAIDSA-N 1 3 319.493 2.666 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](C)Oc1cccc(Br)c1 ZINC000422796060 296334490 /nfs/dbraw/zinc/33/44/90/296334490.db2.gz IKQCWJFYNBRAOT-QJPTWQEYSA-N 1 3 315.255 2.932 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422796936 296334690 /nfs/dbraw/zinc/33/46/90/296334690.db2.gz ZMSWPUKTKHCXAE-RDTXWAMCSA-N 1 3 316.424 2.532 20 0 DFADHO CCN(CC)[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422798726 296335143 /nfs/dbraw/zinc/33/51/43/296335143.db2.gz SNRNFOCBMQLADV-MNEFBYGVSA-N 1 3 319.493 2.808 20 0 DFADHO CCN(CC)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422798722 296335299 /nfs/dbraw/zinc/33/52/99/296335299.db2.gz SNRNFOCBMQLADV-AYOQOUSVSA-N 1 3 319.493 2.808 20 0 DFADHO CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000422803037 296335800 /nfs/dbraw/zinc/33/58/00/296335800.db2.gz CHUSYAMAMOCCSV-MSOLQXFVSA-N 1 3 317.477 2.918 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422803032 296335968 /nfs/dbraw/zinc/33/59/68/296335968.db2.gz CHKGXAIMZKEERF-SZMVWBNQSA-N 1 3 302.462 2.840 20 0 DFADHO CC[C@H](CN[C@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422805820 296336089 /nfs/dbraw/zinc/33/60/89/296336089.db2.gz JQUSAWRZWHSDMF-RBUKOAKNSA-N 1 3 301.478 2.555 20 0 DFADHO CO[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000422807234 296336647 /nfs/dbraw/zinc/33/66/47/296336647.db2.gz JLJIHXIXEYSQJQ-WDYCEAGBSA-N 1 3 318.461 2.893 20 0 DFADHO N[C@H]1CCCCC[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000422813190 296337917 /nfs/dbraw/zinc/33/79/17/296337917.db2.gz XRUJQFHZDJZWEV-OALUTQOASA-N 1 3 301.478 2.684 20 0 DFADHO CC[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)N1CCc2ccccc2C1 ZINC000422812570 296337539 /nfs/dbraw/zinc/33/75/39/296337539.db2.gz WOQPNNCTRBVUJF-AHRSYUTCSA-N 1 3 315.505 2.801 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(COCC(F)(F)F)cc1 ZINC000422811592 296337657 /nfs/dbraw/zinc/33/76/57/296337657.db2.gz PKGRTHOIAGVSSQ-NEPJUHHUSA-N 1 3 304.356 2.981 20 0 DFADHO CCCCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1(C)C ZINC000422819517 296338975 /nfs/dbraw/zinc/33/89/75/296338975.db2.gz NCUXSMBRXRVISW-MDMSPXHWSA-N 1 3 324.509 2.717 20 0 DFADHO CC[C@@H](NCc1ccccc1OCCN(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422824843 296339702 /nfs/dbraw/zinc/33/97/02/296339702.db2.gz OQSDYOQIAHEZFJ-MSOLQXFVSA-N 1 3 319.493 2.637 20 0 DFADHO C[C@@H](C[NH2+]C1CCNCC1)Oc1ccccc1Br ZINC000422827910 296340286 /nfs/dbraw/zinc/34/02/86/296340286.db2.gz AEZWPNPWIPCGLS-NSHDSACASA-N 1 3 313.239 2.558 20 0 DFADHO Cc1ccc([C@@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422826725 296340381 /nfs/dbraw/zinc/34/03/81/296340381.db2.gz LYLIHVUDRVMDNV-NZSAHSFTSA-N 1 3 301.478 2.862 20 0 DFADHO CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)cc1 ZINC000422839835 296342479 /nfs/dbraw/zinc/34/24/79/296342479.db2.gz RNKSACULEZRMGU-FHLIZLRMSA-N 1 3 304.478 2.869 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)Cc1ccccc1 ZINC000422832871 296341565 /nfs/dbraw/zinc/34/15/65/296341565.db2.gz LMEBSIPEUGATHE-IHPCNDPISA-N 1 3 317.521 2.917 20 0 DFADHO CCN(CC)[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000422836470 296342188 /nfs/dbraw/zinc/34/21/88/296342188.db2.gz RFHRPANSTWBTTD-UHOSZYNNSA-N 1 3 303.494 2.527 20 0 DFADHO COc1ccccc1N1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000422841028 296342731 /nfs/dbraw/zinc/34/27/31/296342731.db2.gz VBRKYLKKMSWUAY-DOTOQJQBSA-N 1 3 317.477 2.771 20 0 DFADHO COc1ccc(-c2n[nH]cc2CN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000347018955 285006467 /nfs/dbraw/zinc/00/64/67/285006467.db2.gz LMWNMKCJVZSRFG-ZDUSSCGKSA-N 1 3 314.433 2.645 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422843091 296343172 /nfs/dbraw/zinc/34/31/72/296343172.db2.gz GYWHTQXBAALMAZ-FUHWJXTLSA-N 1 3 302.462 2.842 20 0 DFADHO COc1ccccc1N1CC[C@@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422853312 296345229 /nfs/dbraw/zinc/34/52/29/296345229.db2.gz RXRSKQPKNHGYEB-ULQDDVLXSA-N 1 3 317.477 2.642 20 0 DFADHO Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3CN)cc2)n1 ZINC000422856553 296345670 /nfs/dbraw/zinc/34/56/70/296345670.db2.gz GHEOGYNTDNLANH-IEBWSBKVSA-N 1 3 312.461 2.749 20 0 DFADHO Cc1ccc(OCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422862990 296346698 /nfs/dbraw/zinc/34/66/98/296346698.db2.gz QWJOZLIGMBNTMI-IPMKNSEASA-N 1 3 318.461 2.511 20 0 DFADHO Cc1ccc(OCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422862980 296346823 /nfs/dbraw/zinc/34/68/23/296346823.db2.gz QWJOZLIGMBNTMI-CEXWTWQISA-N 1 3 318.461 2.511 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422863935 296346889 /nfs/dbraw/zinc/34/68/89/296346889.db2.gz MCTSAUGTYSONJZ-WOSRLPQWSA-N 1 3 309.404 2.651 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422863935 296346890 /nfs/dbraw/zinc/34/68/90/296346890.db2.gz MCTSAUGTYSONJZ-WOSRLPQWSA-N 1 3 309.404 2.651 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1 ZINC000422865467 296347163 /nfs/dbraw/zinc/34/71/63/296347163.db2.gz YEIZORRIJBUCLL-QRFRQXIXSA-N 1 3 309.457 2.813 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422865351 296347207 /nfs/dbraw/zinc/34/72/07/296347207.db2.gz XWFDGJIHGAYOFO-SWLSCSKDSA-N 1 3 309.841 2.694 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000422865351 296347208 /nfs/dbraw/zinc/34/72/08/296347208.db2.gz XWFDGJIHGAYOFO-SWLSCSKDSA-N 1 3 309.841 2.694 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCN(C)CC(F)(F)F ZINC000422868601 296347540 /nfs/dbraw/zinc/34/75/40/296347540.db2.gz VPQNBNLTKLEMAD-UONOGXRCSA-N 1 3 309.420 2.771 20 0 DFADHO C[C@H](NCC(C)(C)c1cccc(Br)c1)C1C[NH2+]C1 ZINC000422877725 296349121 /nfs/dbraw/zinc/34/91/21/296349121.db2.gz IRQZTHPNZQDBJU-NSHDSACASA-N 1 3 311.267 2.924 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)c1cccc(Br)c1)C1CNC1 ZINC000422877725 296349123 /nfs/dbraw/zinc/34/91/23/296349123.db2.gz IRQZTHPNZQDBJU-NSHDSACASA-N 1 3 311.267 2.924 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2N)CN1Cc1ccccc1 ZINC000422873375 296348459 /nfs/dbraw/zinc/34/84/59/296348459.db2.gz LEEOQSKOFYSKBH-BVBHFADKSA-N 1 3 301.478 2.899 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])CN1Cc1ccccc1 ZINC000422873375 296348460 /nfs/dbraw/zinc/34/84/60/296348460.db2.gz LEEOQSKOFYSKBH-BVBHFADKSA-N 1 3 301.478 2.899 20 0 DFADHO Cc1ccccc1C1(C[NH2+][C@@H]2CCCNCC2)CCOCC1 ZINC000422883253 296350180 /nfs/dbraw/zinc/35/01/80/296350180.db2.gz UMTUURXGHVSYQV-QGZVFWFLSA-N 1 3 302.462 2.775 20 0 DFADHO Cc1ccccc1C1(CN[C@@H]2CCC[NH2+]CC2)CCOCC1 ZINC000422883253 296350181 /nfs/dbraw/zinc/35/01/81/296350181.db2.gz UMTUURXGHVSYQV-QGZVFWFLSA-N 1 3 302.462 2.775 20 0 DFADHO CCCCOc1cccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000422889847 296351199 /nfs/dbraw/zinc/35/11/99/296351199.db2.gz GZYOTQFITMHLTK-ZTFGCOKTSA-N 1 3 306.450 2.707 20 0 DFADHO Cc1cc(C)n(-c2ccccc2CN[C@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000422886694 296350860 /nfs/dbraw/zinc/35/08/60/296350860.db2.gz JPABPGYNBOCSMI-KDOFPFPSSA-N 1 3 312.461 2.967 20 0 DFADHO COc1cccc(N2CC[C@@H](CN[C@H](C)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422899819 296352762 /nfs/dbraw/zinc/35/27/62/296352762.db2.gz IGZQBYHTSXWDIU-GJYPPUQNSA-N 1 3 317.477 2.642 20 0 DFADHO Cc1ccccc1CN1CCC([NH2+][C@@H]2CNCC[C@H]2C)CC1 ZINC000422899995 296352836 /nfs/dbraw/zinc/35/28/36/296352836.db2.gz PQQAASGJXGEGLU-VQIMIIECSA-N 1 3 301.478 2.547 20 0 DFADHO CCc1nc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)cs1 ZINC000422901441 296353178 /nfs/dbraw/zinc/35/31/78/296353178.db2.gz KVHHWSHFDLTMAB-LLVKDONJSA-N 1 3 304.463 2.761 20 0 DFADHO CC(C)COc1cccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000422902663 296353381 /nfs/dbraw/zinc/35/33/81/296353381.db2.gz UXNJQYQYXAFUHT-ZTFGCOKTSA-N 1 3 306.450 2.563 20 0 DFADHO CC(C)COc1cccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000422902661 296353445 /nfs/dbraw/zinc/35/34/45/296353445.db2.gz UXNJQYQYXAFUHT-FHLIZLRMSA-N 1 3 306.450 2.563 20 0 DFADHO N[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000422897705 296352562 /nfs/dbraw/zinc/35/25/62/296352562.db2.gz KERTYIJJAOQYPX-UXHICEINSA-N 1 3 322.456 2.780 20 0 DFADHO [NH3+][C@@H]1C[C@H](NC2CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000422897705 296352563 /nfs/dbraw/zinc/35/25/63/296352563.db2.gz KERTYIJJAOQYPX-UXHICEINSA-N 1 3 322.456 2.780 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000422904433 296353679 /nfs/dbraw/zinc/35/36/79/296353679.db2.gz PYCPUPZVOZJRON-RDJZCZTQSA-N 1 3 316.424 2.927 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000422917312 296355379 /nfs/dbraw/zinc/35/53/79/296355379.db2.gz CZXRVTPFOSZRNF-CABZTGNLSA-N 1 3 319.232 2.770 20 0 DFADHO CCN1CCN(c2ccccc2NC2CCC(C[NH3+])CC2)CC1 ZINC000422921156 296355694 /nfs/dbraw/zinc/35/56/94/296355694.db2.gz NNCXHOYYIWHERW-UHFFFAOYSA-N 1 3 316.493 2.758 20 0 DFADHO C[C@@H](CCCC[NH3+])N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000422927435 296356497 /nfs/dbraw/zinc/35/64/97/296356497.db2.gz YUPUXVWKTTUXNU-WFASDCNBSA-N 1 3 309.841 2.552 20 0 DFADHO O=C(CCC[NH2+][C@@H]1CCCNCC1)Nc1ccc(Cl)cc1 ZINC000422938222 296358349 /nfs/dbraw/zinc/35/83/49/296358349.db2.gz GZESLAPAQXTOGF-CQSZACIVSA-N 1 3 309.841 2.790 20 0 DFADHO c1ccc2sc(N3CCC([NH2+]C4CCNCC4)CC3)nc2c1 ZINC000422939076 296358424 /nfs/dbraw/zinc/35/84/24/296358424.db2.gz HRYOWBKWWZDQIW-UHFFFAOYSA-N 1 3 316.474 2.607 20 0 DFADHO c1ccc2sc(N3CCC(NC4CC[NH2+]CC4)CC3)nc2c1 ZINC000422939076 296358425 /nfs/dbraw/zinc/35/84/25/296358425.db2.gz HRYOWBKWWZDQIW-UHFFFAOYSA-N 1 3 316.474 2.607 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422935054 296357688 /nfs/dbraw/zinc/35/76/88/296357688.db2.gz KJMXQVZWJUXIHO-BXUZGUMPSA-N 1 3 315.230 2.848 20 0 DFADHO CC(C)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422947740 296359311 /nfs/dbraw/zinc/35/93/11/296359311.db2.gz YSJOBVSAFFPOLF-UXPWSPDFSA-N 1 3 315.505 2.799 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(OC2CCCC2)cc1 ZINC000422948507 296359622 /nfs/dbraw/zinc/35/96/22/296359622.db2.gz SBAYLJVGUTXGAO-ZOCIIQOWSA-N 1 3 318.461 2.850 20 0 DFADHO C[C@H](NCCOc1ccc(C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000422949086 296359824 /nfs/dbraw/zinc/35/98/24/296359824.db2.gz SRANRFQYUWVMHB-RYUDHWBXSA-N 1 3 302.340 2.672 20 0 DFADHO C[NH+](C)C1(CNC(=O)c2ccc3c(c2)CNC3)CCCCCC1 ZINC000347511428 285065568 /nfs/dbraw/zinc/06/55/68/285065568.db2.gz CKCFXGNQZSYTQQ-UHFFFAOYSA-N 1 3 315.461 2.674 20 0 DFADHO C[C@H]1CC[NH2+]C[C@@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000422953812 296360233 /nfs/dbraw/zinc/36/02/33/296360233.db2.gz GNEZFOLPXPYBLM-YOEHRIQHSA-N 1 3 305.491 2.645 20 0 DFADHO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@@H]1CCCCN1 ZINC000422952890 296360283 /nfs/dbraw/zinc/36/02/83/296360283.db2.gz CNYPHQKGJCTLGH-CVEARBPZSA-N 1 3 323.868 2.580 20 0 DFADHO CCC(CC)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N)N(C)C ZINC000422962707 296361536 /nfs/dbraw/zinc/36/15/36/296361536.db2.gz GMUXUJFQKSHAKT-LZQZEXGQSA-N 1 3 305.510 2.901 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](c1ccco1)N1CCCCC1 ZINC000422963138 296361704 /nfs/dbraw/zinc/36/17/04/296361704.db2.gz HQAVAGGODPSRMF-YESZJQIVSA-N 1 3 305.466 2.914 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2c(c1)CNC2 ZINC000347537816 285072447 /nfs/dbraw/zinc/07/24/47/285072447.db2.gz RNLOIDJCCBWPNX-OAHLLOKOSA-N 1 3 315.461 2.674 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc2c(c1)CNC2 ZINC000347537816 285072450 /nfs/dbraw/zinc/07/24/50/285072450.db2.gz RNLOIDJCCBWPNX-OAHLLOKOSA-N 1 3 315.461 2.674 20 0 DFADHO c1cn(-c2ccccc2CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000422966992 296362085 /nfs/dbraw/zinc/36/20/85/296362085.db2.gz OMDQITZBSWOJEJ-OKZBNKHCSA-N 1 3 310.445 2.883 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000422976440 296363272 /nfs/dbraw/zinc/36/32/72/296363272.db2.gz DEZFZBLVNUNEOB-GHMZBOCLSA-N 1 3 308.813 2.648 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000422965510 296362276 /nfs/dbraw/zinc/36/22/76/296362276.db2.gz LERQNYDTHFPAFJ-PKOBYXMFSA-N 1 3 318.461 2.599 20 0 DFADHO CC(C)N1CCC([NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000422996742 296365271 /nfs/dbraw/zinc/36/52/71/296365271.db2.gz UFUPWSBGGRRKDN-RTBURBONSA-N 1 3 301.478 2.942 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422992919 296365026 /nfs/dbraw/zinc/36/50/26/296365026.db2.gz SBUKHIDXVAEYCQ-CHWSQXEVSA-N 1 3 317.355 2.729 20 0 DFADHO N[C@H]1CCC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005116 296366330 /nfs/dbraw/zinc/36/63/30/296366330.db2.gz QTUDHVUEWWFZDY-UONOGXRCSA-N 1 3 302.340 2.735 20 0 DFADHO CCOc1cc(Cl)ccc1CN[C@@H](CCC[NH3+])COC ZINC000423004437 296366367 /nfs/dbraw/zinc/36/63/67/296366367.db2.gz OYMAGRYCRHYUTJ-AWEZNQCLSA-N 1 3 300.830 2.582 20 0 DFADHO CC[C@@H]([NH2+]CCNc1cc(OC)cc(OC)c1)[C@@H]1CCCCN1 ZINC000423007478 296366778 /nfs/dbraw/zinc/36/67/78/296366778.db2.gz XUEGRKNOCNKROV-MSOLQXFVSA-N 1 3 321.465 2.626 20 0 DFADHO c1nc(C2CC2)ncc1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423008470 296366929 /nfs/dbraw/zinc/36/69/29/296366929.db2.gz AJIVELHKDFROLH-RCCFBDPRSA-N 1 3 314.477 2.797 20 0 DFADHO CC(C)C[C@H](N[C@@H](C)CCCC[NH3+])C(=O)Nc1nccs1 ZINC000423014137 296367709 /nfs/dbraw/zinc/36/77/09/296367709.db2.gz HJTXGXXVPBIEQO-STQMWFEESA-N 1 3 312.483 2.603 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423021460 296369035 /nfs/dbraw/zinc/36/90/35/296369035.db2.gz FEONPFSPEKYNBM-HWWQOWPSSA-N 1 3 311.832 2.775 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423021460 296369037 /nfs/dbraw/zinc/36/90/37/296369037.db2.gz FEONPFSPEKYNBM-HWWQOWPSSA-N 1 3 311.832 2.775 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@@H]2CN)cc1OC ZINC000423020924 296369048 /nfs/dbraw/zinc/36/90/48/296369048.db2.gz DEPBQCMJKDGRPK-IMJJTQAJSA-N 1 3 306.450 2.599 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000423024036 296369079 /nfs/dbraw/zinc/36/90/79/296369079.db2.gz ILAHPLCZAKTPCX-DZGCQCFKSA-N 1 3 312.841 2.897 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCCC[C@H]2CN)cc1OC ZINC000423025859 296369141 /nfs/dbraw/zinc/36/91/41/296369141.db2.gz PGQADBQAQZYKMU-XIRDDKMYSA-N 1 3 320.477 2.990 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCCC[C@H]2CN)cc1OC ZINC000423025855 296369307 /nfs/dbraw/zinc/36/93/07/296369307.db2.gz PGQADBQAQZYKMU-BHYGNILZSA-N 1 3 320.477 2.990 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423027005 296369346 /nfs/dbraw/zinc/36/93/46/296369346.db2.gz CQJUTWAXLACEKY-HIFRSBDPSA-N 1 3 318.396 2.525 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423027005 296369348 /nfs/dbraw/zinc/36/93/48/296369348.db2.gz CQJUTWAXLACEKY-HIFRSBDPSA-N 1 3 318.396 2.525 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000423018085 296368556 /nfs/dbraw/zinc/36/85/56/296368556.db2.gz QFBDCEWAAFDDIU-KBPBESRZSA-N 1 3 305.466 2.688 20 0 DFADHO CC[C@H](CSC)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423019174 296368609 /nfs/dbraw/zinc/36/86/09/296368609.db2.gz UICKGAAAITZEDN-UNEWFSDZSA-N 1 3 306.475 2.974 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H]3CCC[NH2+]CC3)c2)CC1 ZINC000423035847 296370285 /nfs/dbraw/zinc/37/02/85/296370285.db2.gz ZOCVDKVVKDJOBL-QGZVFWFLSA-N 1 3 316.493 2.771 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H](C)C[C@@H](C)[NH3+])c2)CC1 ZINC000423028838 296369632 /nfs/dbraw/zinc/36/96/32/296369632.db2.gz RKRMVJKUTRMSSZ-CVEARBPZSA-N 1 3 304.482 2.755 20 0 DFADHO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000620623740 399547138 /nfs/dbraw/zinc/54/71/38/399547138.db2.gz GTWCWEWFIWFSAD-UHFFFAOYSA-N 1 3 305.466 2.598 20 0 DFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000620623740 399547141 /nfs/dbraw/zinc/54/71/41/399547141.db2.gz GTWCWEWFIWFSAD-UHFFFAOYSA-N 1 3 305.466 2.598 20 0 DFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1nn(C)c2ccccc12 ZINC000423046612 296371780 /nfs/dbraw/zinc/37/17/80/296371780.db2.gz DVPPVOKDYWAZOF-BEFAXECRSA-N 1 3 322.456 2.664 20 0 DFADHO Cc1cccc(C[C@H](CO)N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423053563 296372487 /nfs/dbraw/zinc/37/24/87/296372487.db2.gz ARJNPHIIAKQXGI-IYWMVGAKSA-N 1 3 316.489 2.799 20 0 DFADHO Cc1cccc(C[C@H](CO)N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423053562 296372561 /nfs/dbraw/zinc/37/25/61/296372561.db2.gz ARJNPHIIAKQXGI-FUMNGEBKSA-N 1 3 316.489 2.799 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000423057967 296373278 /nfs/dbraw/zinc/37/32/78/296373278.db2.gz BDBRNRHABVZYFL-QGTPRVQTSA-N 1 3 308.441 2.880 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423066778 296374218 /nfs/dbraw/zinc/37/42/18/296374218.db2.gz XVTSTXHPCCICIM-RWMBFGLXSA-N 1 3 315.383 3.000 20 0 DFADHO C[C@@H](NC[C@@]1(C)CCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423067126 296374495 /nfs/dbraw/zinc/37/44/95/296374495.db2.gz YNKPJQDKDIJFAV-NZSAHSFTSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@@H](NCCc1cn(C)c2cc(Cl)ccc12)[C@H]1CC[NH2+]C1 ZINC000423063260 296373754 /nfs/dbraw/zinc/37/37/54/296373754.db2.gz OKRMHNNIGIFCIS-OLZOCXBDSA-N 1 3 305.853 2.962 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423071639 296375079 /nfs/dbraw/zinc/37/50/79/296375079.db2.gz GADHVDVQZNBWBX-USJZOSNVSA-N 1 3 308.441 2.615 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423071639 296375081 /nfs/dbraw/zinc/37/50/81/296375081.db2.gz GADHVDVQZNBWBX-USJZOSNVSA-N 1 3 308.441 2.615 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423071637 296374867 /nfs/dbraw/zinc/37/48/67/296374867.db2.gz GADHVDVQZNBWBX-DFEHZGFQSA-N 1 3 308.441 2.615 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423071637 296374869 /nfs/dbraw/zinc/37/48/69/296374869.db2.gz GADHVDVQZNBWBX-DFEHZGFQSA-N 1 3 308.441 2.615 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@](C)(O)C1CCCCC1 ZINC000423082994 296376310 /nfs/dbraw/zinc/37/63/10/296376310.db2.gz XZJIRSOCOCPKAJ-SNRMKQJTSA-N 1 3 304.478 2.866 20 0 DFADHO CCCOc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c(C)c1 ZINC000423076154 296375601 /nfs/dbraw/zinc/37/56/01/296375601.db2.gz YGSUWTJQRGZRSL-FHLIZLRMSA-N 1 3 306.450 2.626 20 0 DFADHO C[C@@H](CCn1cccn1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000158998760 197318147 /nfs/dbraw/zinc/31/81/47/197318147.db2.gz SFAQGTBWMPICHQ-INIZCTEOSA-N 1 3 313.449 2.563 20 0 DFADHO OCC1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC2(CCC2)C1 ZINC000423089247 296377156 /nfs/dbraw/zinc/37/71/56/296377156.db2.gz RVPYBIBIECYWQB-BRWVUGGUSA-N 1 3 306.494 2.830 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423083339 296376347 /nfs/dbraw/zinc/37/63/47/296376347.db2.gz FVNHFBSIGPPRKL-QZOZAFJCSA-N 1 3 306.425 2.804 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423095650 296377908 /nfs/dbraw/zinc/37/79/08/296377908.db2.gz MUVAVHKRGFQHIY-MUMJOVGASA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423095650 296377910 /nfs/dbraw/zinc/37/79/10/296377910.db2.gz MUVAVHKRGFQHIY-MUMJOVGASA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423092472 296377559 /nfs/dbraw/zinc/37/75/59/296377559.db2.gz BZKHGYQLDZFMEU-DHFFPCJSSA-N 1 3 306.425 2.804 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000423092474 296377624 /nfs/dbraw/zinc/37/76/24/296377624.db2.gz BZKHGYQLDZFMEU-NZEYMJGSSA-N 1 3 306.425 2.804 20 0 DFADHO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423101452 296378545 /nfs/dbraw/zinc/37/85/45/296378545.db2.gz CXZRHNGPMWLEQL-SXXASDTRSA-N 1 3 302.462 2.925 20 0 DFADHO CC(C)SCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423103289 296378556 /nfs/dbraw/zinc/37/85/56/296378556.db2.gz GGTRQFVTIFEMAE-NVXWUHKLSA-N 1 3 306.475 2.974 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc2c(c1)OCCO2 ZINC000624119719 399559261 /nfs/dbraw/zinc/55/92/61/399559261.db2.gz HZKHECUYCYRDQE-HUUCEWRRSA-N 1 3 304.434 2.840 20 0 DFADHO COc1cccc(OC(F)(F)F)c1CNC1CCC([NH3+])CC1 ZINC000423105000 296378944 /nfs/dbraw/zinc/37/89/44/296378944.db2.gz HZTUKHNPZMIZJD-UHFFFAOYSA-N 1 3 318.339 2.953 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000120247454 195126586 /nfs/dbraw/zinc/12/65/86/195126586.db2.gz AASAJTOLXNMLJU-BEFAXECRSA-N 1 3 317.477 2.622 20 0 DFADHO C[C@](CO)(CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423110608 296379532 /nfs/dbraw/zinc/37/95/32/296379532.db2.gz PGZUZQCLLPYDMO-VNTMZGSJSA-N 1 3 316.489 2.837 20 0 DFADHO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)c(C)c1 ZINC000423124362 296381538 /nfs/dbraw/zinc/38/15/38/296381538.db2.gz GIHZXVVHHXWHAZ-JFIYKMOQSA-N 1 3 304.478 2.923 20 0 DFADHO c1ccc2c(c1)CC1(CCOCC1)[C@H]2N[C@H]1CCC[NH2+]CC1 ZINC000423131141 296382250 /nfs/dbraw/zinc/38/22/50/296382250.db2.gz ZHDRYOGVASRLIP-WMZOPIPTSA-N 1 3 300.446 2.812 20 0 DFADHO Fc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423136976 296383121 /nfs/dbraw/zinc/38/31/21/296383121.db2.gz VPRNCSMFIOVXND-CWLKWCNXSA-N 1 3 317.452 2.915 20 0 DFADHO Fc1ccccc1N1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423132717 296382505 /nfs/dbraw/zinc/38/25/05/296382505.db2.gz CAEBKAPJNIGGHJ-LSVZVQIISA-N 1 3 303.425 2.525 20 0 DFADHO C[C@H](NCc1ccn(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158446249 197273201 /nfs/dbraw/zinc/27/32/01/197273201.db2.gz IVMGYTVWXXDZBW-HNNXBMFYSA-N 1 3 301.434 2.816 20 0 DFADHO Cc1nc(CNC2CCC([NH3+])CC2)sc1Br ZINC000423157046 296386303 /nfs/dbraw/zinc/38/63/03/296386303.db2.gz MGZGZZQSTSRGBI-UHFFFAOYSA-N 1 3 304.257 2.574 20 0 DFADHO CC[C@H](C)[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)OC ZINC000423154781 296385761 /nfs/dbraw/zinc/38/57/61/296385761.db2.gz IJQHOZPMYOLMEO-OYSPMZIOSA-N 1 3 318.461 2.893 20 0 DFADHO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423169457 296387936 /nfs/dbraw/zinc/38/79/36/296387936.db2.gz JYNORXMUPCLIOE-ZNOIYHFQSA-N 1 3 311.429 2.812 20 0 DFADHO COc1ccc(C[C@H](NCCC[NH3+])c2ccc(OC)cc2)cc1 ZINC000423178976 296388920 /nfs/dbraw/zinc/38/89/20/296388920.db2.gz CLGSUWGUALCHRX-IBGZPJMESA-N 1 3 314.429 2.926 20 0 DFADHO c1coc([C@@H]2C[C@H]2N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423173832 296388219 /nfs/dbraw/zinc/38/82/19/296388219.db2.gz AGCYKOWODWLACA-JEWRLFTDSA-N 1 3 310.397 2.981 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](CO)c1ccc(F)cc1 ZINC000423177282 296388434 /nfs/dbraw/zinc/38/84/34/296388434.db2.gz GYQSNZMPYZLWES-HFTRVMKXSA-N 1 3 308.441 2.802 20 0 DFADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]C2CCNCC2)cc1 ZINC000423176447 296388636 /nfs/dbraw/zinc/38/86/36/296388636.db2.gz CKBJCKHHOXAPRW-IBGZPJMESA-N 1 3 311.429 2.716 20 0 DFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1(N)CCCCC1 ZINC000423181753 296389248 /nfs/dbraw/zinc/38/92/48/296389248.db2.gz PKXJPMMNFHTVMV-SJLPKXTDSA-N 1 3 316.493 2.543 20 0 DFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000423181753 296389249 /nfs/dbraw/zinc/38/92/49/296389249.db2.gz PKXJPMMNFHTVMV-SJLPKXTDSA-N 1 3 316.493 2.543 20 0 DFADHO CO[C@@H](c1ccccc1)[C@H](C)NCCC[NH2+]Cc1cccnc1 ZINC000423194474 296390742 /nfs/dbraw/zinc/39/07/42/296390742.db2.gz YTQBWABBFNWJSJ-QFBILLFUSA-N 1 3 313.445 2.927 20 0 DFADHO C[C@@H](NCCN1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1 ZINC000423199253 296391691 /nfs/dbraw/zinc/39/16/91/296391691.db2.gz BBGGKMRIWJKCEA-LLVKDONJSA-N 1 3 302.249 2.549 20 0 DFADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OCCN(C)C)cc1 ZINC000423212842 296393171 /nfs/dbraw/zinc/39/31/71/296393171.db2.gz KFVXJSGFKNNUPU-NAZJXLNTSA-N 1 3 317.477 2.561 20 0 DFADHO COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2CCCNC2)cc1OC ZINC000423215307 296393410 /nfs/dbraw/zinc/39/34/10/296393410.db2.gz QIFNAGJHMKWECH-HUUCEWRRSA-N 1 3 306.450 2.532 20 0 DFADHO COc1cc(C)c(C[C@@H](C)NC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423215307 296393412 /nfs/dbraw/zinc/39/34/12/296393412.db2.gz QIFNAGJHMKWECH-HUUCEWRRSA-N 1 3 306.450 2.532 20 0 DFADHO Brc1cccc2c1C[C@H]([NH2+]C[C@@H]1CCCNC1)CC2 ZINC000423215045 296393508 /nfs/dbraw/zinc/39/35/08/296393508.db2.gz QBECDALQNMFRRL-TZMCWYRMSA-N 1 3 323.278 2.896 20 0 DFADHO Brc1cccc2c1C[C@H](NC[C@@H]1CCC[NH2+]C1)CC2 ZINC000423215045 296393509 /nfs/dbraw/zinc/39/35/09/296393509.db2.gz QBECDALQNMFRRL-TZMCWYRMSA-N 1 3 323.278 2.896 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@H](C[NH3+])C1CCCCC1 ZINC000423259510 296397691 /nfs/dbraw/zinc/39/76/91/296397691.db2.gz FCKGVNPNBLNCPY-CRAIPNDOSA-N 1 3 317.477 2.925 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H](N[C@H]2CCC[C@H]2C[NH3+])c2ccccc21 ZINC000423271791 296399332 /nfs/dbraw/zinc/39/93/32/296399332.db2.gz JJIPLMOOCODLDG-NBMRYCAZSA-N 1 3 316.445 2.885 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CN)c2ccccc21 ZINC000423271791 296399333 /nfs/dbraw/zinc/39/93/33/296399333.db2.gz JJIPLMOOCODLDG-NBMRYCAZSA-N 1 3 316.445 2.885 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423273421 296399518 /nfs/dbraw/zinc/39/95/18/296399518.db2.gz KQHGQNRSCMYTNA-BBRMVZONSA-N 1 3 306.454 2.850 20 0 DFADHO C[C@H](CNCc1cn([C@H]2CC[NH2+]C2)nn1)CC1CCCCC1 ZINC000629407028 399595377 /nfs/dbraw/zinc/59/53/77/399595377.db2.gz VRUNFNQSJWPARF-YOEHRIQHSA-N 1 3 305.470 2.509 20 0 DFADHO COc1cc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])cc(OC)c1OC ZINC000423274223 296399613 /nfs/dbraw/zinc/39/96/13/296399613.db2.gz LRRIEKKQKQJCPQ-YDHLFZDLSA-N 1 3 322.449 2.881 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccncc1 ZINC000156476848 197115848 /nfs/dbraw/zinc/11/58/48/197115848.db2.gz GCSLOZFVODRCHJ-QGZVFWFLSA-N 1 3 324.472 2.680 20 0 DFADHO C[C@H]1C[C@@H](C[NH2+]CC2=CCCOC2)CN1Cc1ccccc1 ZINC000120356299 195149736 /nfs/dbraw/zinc/14/97/36/195149736.db2.gz IBYUHPCGALODIJ-LPHOPBHVSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@H]1C[C@@H](CNCC2=CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000120356299 195149738 /nfs/dbraw/zinc/14/97/38/195149738.db2.gz IBYUHPCGALODIJ-LPHOPBHVSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@H]1C[C@@H](CNCC2=CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000120356299 195149741 /nfs/dbraw/zinc/14/97/41/195149741.db2.gz IBYUHPCGALODIJ-LPHOPBHVSA-N 1 3 300.446 2.833 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000423346929 296406912 /nfs/dbraw/zinc/40/69/12/296406912.db2.gz ZMICPBYBTWYHJS-SFHVURJKSA-N 1 3 321.509 2.807 20 0 DFADHO N[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CCC1 ZINC000423356982 296408162 /nfs/dbraw/zinc/40/81/62/296408162.db2.gz RMTXPUZPDNGZHS-GOSISDBHSA-N 1 3 315.461 2.781 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](C)N2CCC(C)CC2)cc1 ZINC000423361271 296408452 /nfs/dbraw/zinc/40/84/52/296408452.db2.gz RJVCAGUITTZASO-LSDHHAIUSA-N 1 3 303.450 2.557 20 0 DFADHO COCC[NH+]1CCC(N[C@@H]2CSCCc3ccccc32)CC1 ZINC000154875238 197000654 /nfs/dbraw/zinc/00/06/54/197000654.db2.gz FOBURCSBDKDTHU-GOSISDBHSA-N 1 3 320.502 2.717 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CNC3)C1 ZINC000423391750 296411554 /nfs/dbraw/zinc/41/15/54/296411554.db2.gz PREYUVOETXHLLG-QAPCUYQASA-N 1 3 310.445 2.839 20 0 DFADHO CCCN(CCC[NH+](C)C)C(=O)c1cccc(CN(C)C)c1 ZINC000347906610 285236358 /nfs/dbraw/zinc/23/63/58/285236358.db2.gz NUKLJPHODVAJKF-UHFFFAOYSA-N 1 3 305.466 2.552 20 0 DFADHO CCCN(CCC[NH+](C)C)C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000347914954 285242237 /nfs/dbraw/zinc/24/22/37/285242237.db2.gz OFCAJHLVWCNUJI-QGZVFWFLSA-N 1 3 311.514 2.687 20 0 DFADHO COC[C@@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C1CC1 ZINC000090717284 285242584 /nfs/dbraw/zinc/24/25/84/285242584.db2.gz ZEUUZGUDRXWHHJ-RDTXWAMCSA-N 1 3 306.450 2.703 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000423430356 296416202 /nfs/dbraw/zinc/41/62/02/296416202.db2.gz UHMITFNLTFECFS-QZTJIDSGSA-N 1 3 321.509 2.761 20 0 DFADHO Cc1cc(N)cc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423481253 296420743 /nfs/dbraw/zinc/42/07/43/296420743.db2.gz PZTXFLIEUHWGMK-UYAOXDASSA-N 1 3 323.440 2.923 20 0 DFADHO Cc1noc(CCC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)n1 ZINC000347943316 285261282 /nfs/dbraw/zinc/26/12/82/285261282.db2.gz WQLQFPIDOXRAOI-HIFRSBDPSA-N 1 3 306.454 2.553 20 0 DFADHO Cn1cc([C@H](NCCC2=CC[NH2+]CC2)c2cccc(F)c2)cn1 ZINC000423543197 296428372 /nfs/dbraw/zinc/42/83/72/296428372.db2.gz UQRIRYZSBSNTBD-GOSISDBHSA-N 1 3 314.408 2.548 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000076129925 542475083 /nfs/dbraw/zinc/47/50/83/542475083.db2.gz RCXPIKZFZVQSPG-UHFFFAOYSA-N 1 3 318.465 2.746 20 0 DFADHO CC(C)[NH+]1CCC(NC[C@@]2(CO)C[C@@H]2c2ccccc2)CC1 ZINC000289602883 221097202 /nfs/dbraw/zinc/09/72/02/221097202.db2.gz CTBUUBXUKAIIAD-RTBURBONSA-N 1 3 302.462 2.615 20 0 DFADHO CC1(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)COC1 ZINC000289717642 221177012 /nfs/dbraw/zinc/17/70/12/221177012.db2.gz UOVFDLMOQORUKR-SFHVURJKSA-N 1 3 302.462 2.915 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000423657426 296436972 /nfs/dbraw/zinc/43/69/72/296436972.db2.gz WAAWMPPQEUBICC-HNNXBMFYSA-N 1 3 319.424 2.708 20 0 DFADHO CCc1ncc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)s1 ZINC000084018247 542505106 /nfs/dbraw/zinc/50/51/06/542505106.db2.gz BKWSZZXUKKCNQB-KBPBESRZSA-N 1 3 311.495 2.685 20 0 DFADHO CC(C)CC[C@H](CO)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629525197 399635584 /nfs/dbraw/zinc/63/55/84/399635584.db2.gz WOUUPNSZFNDSQY-SUMDDJOVSA-N 1 3 318.461 2.629 20 0 DFADHO CC[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(OC(F)F)cc1 ZINC000629524374 399635607 /nfs/dbraw/zinc/63/56/07/399635607.db2.gz PYNNYBQENFSBGU-AWEZNQCLSA-N 1 3 314.376 2.837 20 0 DFADHO C[NH2+]CCOCCN[C@H](C)c1cc(C)c(Br)s1 ZINC000629530871 399637609 /nfs/dbraw/zinc/63/76/09/399637609.db2.gz TXVQQSYPJRDRKS-SNVBAGLBSA-N 1 3 321.284 2.706 20 0 DFADHO Fc1ccccc1-c1nc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)co1 ZINC000629532949 399637946 /nfs/dbraw/zinc/63/79/46/399637946.db2.gz ZRZZGFACRWPJNY-OKILXGFUSA-N 1 3 315.392 2.912 20 0 DFADHO C[NH2+]CCOCCN[C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000629529500 399638088 /nfs/dbraw/zinc/63/80/88/399638088.db2.gz FFLHEJHINZPYRV-HNNXBMFYSA-N 1 3 312.841 2.688 20 0 DFADHO COc1ccc2oc([C@H](C)NCCOCCC[NH3+])c(C)c2c1 ZINC000629542310 399641774 /nfs/dbraw/zinc/64/17/74/399641774.db2.gz YABBSSQSHWHRHJ-ZDUSSCGKSA-N 1 3 306.406 2.766 20 0 DFADHO CCOc1ccc(Cl)cc1[C@@H](C)NCCOCCC[NH3+] ZINC000629541528 399641843 /nfs/dbraw/zinc/64/18/43/399641843.db2.gz QAUCFXNSIWWTGX-GFCCVEGCSA-N 1 3 300.830 2.755 20 0 DFADHO CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000629576384 399653475 /nfs/dbraw/zinc/65/34/75/399653475.db2.gz UIMOQFAMMZKVNX-SJORKVTESA-N 1 3 318.436 2.915 20 0 DFADHO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000629576384 399653476 /nfs/dbraw/zinc/65/34/76/399653476.db2.gz UIMOQFAMMZKVNX-SJORKVTESA-N 1 3 318.436 2.915 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCN(c3ccc(Cl)cc3F)C2)C1 ZINC000629544640 399642867 /nfs/dbraw/zinc/64/28/67/399642867.db2.gz JTAUJSUPNOZEDD-MCIONIFRSA-N 1 3 311.832 2.917 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629546985 399643714 /nfs/dbraw/zinc/64/37/14/399643714.db2.gz RNXMENKFQLJPSE-CORIIIEPSA-N 1 3 311.832 2.775 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629546985 399643719 /nfs/dbraw/zinc/64/37/19/399643719.db2.gz RNXMENKFQLJPSE-CORIIIEPSA-N 1 3 311.832 2.775 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC000629552799 399646353 /nfs/dbraw/zinc/64/63/53/399646353.db2.gz QJIPYHDUARNZQC-GUTXKFCHSA-N 1 3 312.404 2.961 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC000629552799 399646357 /nfs/dbraw/zinc/64/63/57/399646357.db2.gz QJIPYHDUARNZQC-GUTXKFCHSA-N 1 3 312.404 2.961 20 0 DFADHO C[C@H](NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H](C)C1CCCCC1 ZINC000629554038 399646403 /nfs/dbraw/zinc/64/64/03/399646403.db2.gz YSIVNTICZZDXGL-JKIFEVAISA-N 1 3 305.470 2.507 20 0 DFADHO C[NH2+][C@@H](CO)c1cccc(-c2cccc(OCCN(C)C)c2)c1 ZINC000629699950 399694020 /nfs/dbraw/zinc/69/40/20/399694020.db2.gz FBUMNEVBAPRPKB-IBGZPJMESA-N 1 3 314.429 2.547 20 0 DFADHO CN1CCN(Cc2ccccc2-c2cccc3c2C[NH2+]CC3)CC1 ZINC000629734986 399707537 /nfs/dbraw/zinc/70/75/37/399707537.db2.gz COHOQRDWZRPEGR-UHFFFAOYSA-N 1 3 321.468 2.747 20 0 DFADHO CCOC[C@@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093418937 542553018 /nfs/dbraw/zinc/55/30/18/542553018.db2.gz QIVZKJHHSDTIQU-GOSISDBHSA-N 1 3 320.477 2.876 20 0 DFADHO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093418937 542553024 /nfs/dbraw/zinc/55/30/24/542553024.db2.gz QIVZKJHHSDTIQU-GOSISDBHSA-N 1 3 320.477 2.876 20 0 DFADHO CC1=C(C)C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000617502444 399719147 /nfs/dbraw/zinc/71/91/47/399719147.db2.gz PHVQFOILNQYIJL-IRXDYDNUSA-N 1 3 309.498 2.511 20 0 DFADHO CC1=C(C)C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000617502444 399719152 /nfs/dbraw/zinc/71/91/52/399719152.db2.gz PHVQFOILNQYIJL-IRXDYDNUSA-N 1 3 309.498 2.511 20 0 DFADHO CCC[NH+]1CCC(N[C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000119917464 542575588 /nfs/dbraw/zinc/57/55/88/542575588.db2.gz ZFBLYTKOZQUAOQ-HNNXBMFYSA-N 1 3 322.884 2.778 20 0 DFADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000121669593 195327690 /nfs/dbraw/zinc/32/76/90/195327690.db2.gz FVJPMDRWBUBHLY-INIZCTEOSA-N 1 3 311.514 2.543 20 0 DFADHO CC[N@@H+]1CC[C@@H](NC[C@@H](c2cccc(OC)c2)N(C)C)[C@H](C)C1 ZINC000133647664 285376685 /nfs/dbraw/zinc/37/66/85/285376685.db2.gz FBOUMTGUAIKONO-LZQZEXGQSA-N 1 3 319.493 2.618 20 0 DFADHO CC[N@H+]1CC[C@@H](NC[C@@H](c2cccc(OC)c2)N(C)C)[C@H](C)C1 ZINC000133647664 285376686 /nfs/dbraw/zinc/37/66/86/285376686.db2.gz FBOUMTGUAIKONO-LZQZEXGQSA-N 1 3 319.493 2.618 20 0 DFADHO CCN1CC[C@@H]([NH2+]C[C@@H](c2cccc(OC)c2)N(C)C)[C@H](C)C1 ZINC000133647664 285376687 /nfs/dbraw/zinc/37/66/87/285376687.db2.gz FBOUMTGUAIKONO-LZQZEXGQSA-N 1 3 319.493 2.618 20 0 DFADHO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(OCCN(C)C)cc1 ZINC000121340721 542584317 /nfs/dbraw/zinc/58/43/17/542584317.db2.gz MMHPGVMYPWWOBN-XYJFISCASA-N 1 3 320.477 2.829 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCc2c1cc(F)cc2F ZINC000121529197 542585209 /nfs/dbraw/zinc/58/52/09/542585209.db2.gz DLHFASCDZJPJHB-DYVFJYSZSA-N 1 3 312.404 2.899 20 0 DFADHO C[NH+](C)CCCCNCc1ccnn1CCc1ccccc1 ZINC000621331817 399758067 /nfs/dbraw/zinc/75/80/67/399758067.db2.gz PGCLNPXYFHZLBC-UHFFFAOYSA-N 1 3 300.450 2.557 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)CN(C)C1CCC1)c1ccsc1 ZINC000629948663 399764126 /nfs/dbraw/zinc/76/41/26/399764126.db2.gz LNKIWOWGYZDPCJ-MRXNPFEDSA-N 1 3 323.506 2.732 20 0 DFADHO C[C@]1(O)CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000129581711 542624483 /nfs/dbraw/zinc/62/44/83/542624483.db2.gz NIPSZQXSNYAIFB-IBGZPJMESA-N 1 3 318.461 2.508 20 0 DFADHO C[C@H]([NH2+]CC[C@H]1CCCO1)c1cccc(OCCN(C)C)c1 ZINC000131938177 542639507 /nfs/dbraw/zinc/63/95/07/542639507.db2.gz QTYRFWDDKYQKDM-DOTOQJQBSA-N 1 3 306.450 2.847 20 0 DFADHO C[C@@H]1CCN(CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000163854018 132123896 /nfs/dbraw/zinc/12/38/96/132123896.db2.gz YORMAUJECLOFEQ-OLZOCXBDSA-N 1 3 309.841 2.585 20 0 DFADHO CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166228984 542750063 /nfs/dbraw/zinc/75/00/63/542750063.db2.gz SYAQSHDEZHVDPJ-ZWKOTPCHSA-N 1 3 321.509 2.630 20 0 DFADHO CCC(CC)C(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166228984 542750067 /nfs/dbraw/zinc/75/00/67/542750067.db2.gz SYAQSHDEZHVDPJ-ZWKOTPCHSA-N 1 3 321.509 2.630 20 0 DFADHO CCC(CC)C(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166228984 542750072 /nfs/dbraw/zinc/75/00/72/542750072.db2.gz SYAQSHDEZHVDPJ-ZWKOTPCHSA-N 1 3 321.509 2.630 20 0 DFADHO CN(C)Cc1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1F ZINC000166618816 542750927 /nfs/dbraw/zinc/75/09/27/542750927.db2.gz FNXASUJODUITMB-DLBZAZTESA-N 1 3 305.441 2.604 20 0 DFADHO CN(C)Cc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1F ZINC000166618816 542750930 /nfs/dbraw/zinc/75/09/30/542750930.db2.gz FNXASUJODUITMB-DLBZAZTESA-N 1 3 305.441 2.604 20 0 DFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)CC2([NH3+])CCC2)CC1 ZINC000167795740 542753376 /nfs/dbraw/zinc/75/33/76/542753376.db2.gz WJDXHBRFIDMGAE-OAHLLOKOSA-N 1 3 315.461 2.600 20 0 DFADHO Cc1n[nH]cc1[C@H](C)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000180425256 542784490 /nfs/dbraw/zinc/78/44/90/542784490.db2.gz OZAYWMDWXHCTQS-AWEZNQCLSA-N 1 3 316.449 2.899 20 0 DFADHO CCC[NH+]1CCC(NCCc2nc3c(cccc3F)n2C)CC1 ZINC000183271555 542799349 /nfs/dbraw/zinc/79/93/49/542799349.db2.gz CAWCQYVHMWZCJY-UHFFFAOYSA-N 1 3 318.440 2.719 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCCC2)C12CCCCC2 ZINC000245927636 542918551 /nfs/dbraw/zinc/91/85/51/542918551.db2.gz RSXKEUNJXKDLNZ-FGTMMUONSA-N 1 3 324.509 2.551 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C)CN(C)C)c1C ZINC000293770351 543021716 /nfs/dbraw/zinc/02/17/16/543021716.db2.gz SPCQCNORGXDVMK-ZFWWWQNUSA-N 1 3 305.466 2.808 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NC[C@H](C)C[NH+](C)C)c1C ZINC000293770351 543021721 /nfs/dbraw/zinc/02/17/21/543021721.db2.gz SPCQCNORGXDVMK-ZFWWWQNUSA-N 1 3 305.466 2.808 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000348684342 285641857 /nfs/dbraw/zinc/64/18/57/285641857.db2.gz PDHPZPWCAZKGKT-ZYSHUDEJSA-N 1 3 320.477 2.971 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1cccc(OCCN(C)C)c1 ZINC000348691344 285643749 /nfs/dbraw/zinc/64/37/49/285643749.db2.gz CFPHXZFUGRCQLR-KFKAGJAMSA-N 1 3 320.477 2.971 20 0 DFADHO OC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000305881535 543063603 /nfs/dbraw/zinc/06/36/03/543063603.db2.gz VHBHUKFDBPXINI-GBESFXJTSA-N 1 3 314.473 2.792 20 0 DFADHO C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)C1CC[NH+](C)CC1 ZINC000604420444 399845411 /nfs/dbraw/zinc/84/54/11/399845411.db2.gz JPZISJYEUCABQE-CQSZACIVSA-N 1 3 318.465 2.600 20 0 DFADHO C[C@H](CC[N@H+](C)CC[C@H]1CCCO1)N(C)CC[C@@H]1CCCO1 ZINC000342592223 543163424 /nfs/dbraw/zinc/16/34/24/543163424.db2.gz NWZKLVKQWVQUSR-KURKYZTESA-N 1 3 312.498 2.767 20 0 DFADHO C[C@H](CC[N@@H+](C)CC[C@H]1CCCO1)N(C)CC[C@@H]1CCCO1 ZINC000342592223 543163427 /nfs/dbraw/zinc/16/34/27/543163427.db2.gz NWZKLVKQWVQUSR-KURKYZTESA-N 1 3 312.498 2.767 20 0 DFADHO CC(C)[C@H]1CC[C@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000353495489 543235715 /nfs/dbraw/zinc/23/57/15/543235715.db2.gz HWUZNBNZNCLNKD-RTBURBONSA-N 1 3 316.493 2.618 20 0 DFADHO CCCN1CC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000389142992 543303611 /nfs/dbraw/zinc/30/36/11/543303611.db2.gz HQLRWRDZRKOBNS-FQEVSTJZSA-N 1 3 315.505 2.767 20 0 DFADHO COC[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000165348612 145229387 /nfs/dbraw/zinc/22/93/87/145229387.db2.gz RATNOQAJSFUNSQ-HKUYNNGSSA-N 1 3 302.462 2.566 20 0 DFADHO CN(C)[C@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)C1CC1 ZINC000166232243 145234246 /nfs/dbraw/zinc/23/42/46/145234246.db2.gz XWHMDUQVTARGBJ-HXUWFJFHSA-N 1 3 315.505 2.623 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414928508 543327997 /nfs/dbraw/zinc/32/79/97/543327997.db2.gz QDBNIBACVGFNDZ-IMJJTQAJSA-N 1 3 303.450 2.826 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414928508 543328000 /nfs/dbraw/zinc/32/80/00/543328000.db2.gz QDBNIBACVGFNDZ-IMJJTQAJSA-N 1 3 303.450 2.826 20 0 DFADHO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)N1[C@@H](C)CC[C@@H]1C ZINC000174384446 145378174 /nfs/dbraw/zinc/37/81/74/145378174.db2.gz OPCJRHCYFFSIPJ-XLAORIBOSA-N 1 3 321.509 2.582 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)Nc2ccc(CN(C)C)c(C)c2)CC[N@@H+]1C ZINC000633407010 399899629 /nfs/dbraw/zinc/89/96/29/399899629.db2.gz IAQLIJLYBXFGKO-DLBZAZTESA-N 1 3 303.450 2.725 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)Nc2ccc(CN(C)C)c(C)c2)CC[N@H+]1C ZINC000633407010 399899632 /nfs/dbraw/zinc/89/96/32/399899632.db2.gz IAQLIJLYBXFGKO-DLBZAZTESA-N 1 3 303.450 2.725 20 0 DFADHO CCOc1cc2nccc(N3C[C@@H]([NH3+])C[C@@H]3C)c2cc1OCC ZINC000630559015 399903267 /nfs/dbraw/zinc/90/32/67/399903267.db2.gz NUNIVHOOTGOWFD-STQMWFEESA-N 1 3 315.417 2.958 20 0 DFADHO CCN(C(=O)CC[N@H+](C)C1CCCCC1)C1CCN(C)CC1 ZINC000627616963 399947388 /nfs/dbraw/zinc/94/73/88/399947388.db2.gz MZLQDTRMJKDZCA-UHFFFAOYSA-N 1 3 309.498 2.584 20 0 DFADHO CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CCN(C)CC1 ZINC000627616963 399947389 /nfs/dbraw/zinc/94/73/89/399947389.db2.gz MZLQDTRMJKDZCA-UHFFFAOYSA-N 1 3 309.498 2.584 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000631108659 399982011 /nfs/dbraw/zinc/98/20/11/399982011.db2.gz DSAWZBZKPJCKID-YJBOKZPZSA-N 1 3 311.429 2.787 20 0 DFADHO C[C@H](NCc1ccc(=O)[nH]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000631108659 399982012 /nfs/dbraw/zinc/98/20/12/399982012.db2.gz DSAWZBZKPJCKID-YJBOKZPZSA-N 1 3 311.429 2.787 20 0 DFADHO C[C@H](NCc1ccc(=O)[nH]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631108659 399982014 /nfs/dbraw/zinc/98/20/14/399982014.db2.gz DSAWZBZKPJCKID-YJBOKZPZSA-N 1 3 311.429 2.787 20 0 DFADHO C[C@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)N1CCCCCC1 ZINC000633943356 399963206 /nfs/dbraw/zinc/96/32/06/399963206.db2.gz JMTONGAYRLWJHN-QGZVFWFLSA-N 1 3 321.509 2.728 20 0 DFADHO CCC1([NH+]2CCCC2)CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000633954638 399965320 /nfs/dbraw/zinc/96/53/20/399965320.db2.gz VVQJNPZTYFELBM-CALCHBBNSA-N 1 3 321.509 2.726 20 0 DFADHO CC[C@@H]1CCCC[C@@H]1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000628121072 399987668 /nfs/dbraw/zinc/98/76/68/399987668.db2.gz PXAPDKPDMVMGCE-RTBURBONSA-N 1 3 307.526 2.916 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000631196059 400001660 /nfs/dbraw/zinc/00/16/60/400001660.db2.gz NKDSKDLNRNAYNV-LPHOPBHVSA-N 1 3 300.446 2.691 20 0 DFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCC1=CCCOC1 ZINC000631196059 400001662 /nfs/dbraw/zinc/00/16/62/400001662.db2.gz NKDSKDLNRNAYNV-LPHOPBHVSA-N 1 3 300.446 2.691 20 0 DFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCC1=CCCOC1 ZINC000631196059 400001664 /nfs/dbraw/zinc/00/16/64/400001664.db2.gz NKDSKDLNRNAYNV-LPHOPBHVSA-N 1 3 300.446 2.691 20 0 DFADHO c1cnc2c(c1)[C@@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCC2 ZINC000631580148 400054087 /nfs/dbraw/zinc/05/40/87/400054087.db2.gz DGBKMCBNHQDUCP-KXBFYZLASA-N 1 3 315.461 2.550 20 0 DFADHO C[C@H]1C[N@H+](CCCN[C@H]2CCCc3ncccc32)CCCO1 ZINC000631621726 400058864 /nfs/dbraw/zinc/05/88/64/400058864.db2.gz JSTFLYLUDQQZFX-YJBOKZPZSA-N 1 3 303.450 2.550 20 0 DFADHO C[C@H]1C[N@@H+](CCCN[C@H]2CCCc3ncccc32)CCCO1 ZINC000631621726 400058865 /nfs/dbraw/zinc/05/88/65/400058865.db2.gz JSTFLYLUDQQZFX-YJBOKZPZSA-N 1 3 303.450 2.550 20 0 DFADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2C2CCCC2)CCCCC1 ZINC000628965475 400066605 /nfs/dbraw/zinc/06/66/05/400066605.db2.gz YJOGSFDYCSVOLF-KRWDZBQOSA-N 1 3 321.509 2.632 20 0 DFADHO Cc1cc(C)c(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(C)n1 ZINC000631828351 400078065 /nfs/dbraw/zinc/07/80/65/400078065.db2.gz MKUWGEFUPBMBDV-PKOBYXMFSA-N 1 3 317.477 2.725 20 0 DFADHO Cc1cc(C)c(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(C)n1 ZINC000631829547 400078175 /nfs/dbraw/zinc/07/81/75/400078175.db2.gz TZSKAVRKZVGOIJ-QXAKKESOSA-N 1 3 317.477 2.868 20 0 DFADHO C[C@@H]1CN(Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631840043 400079064 /nfs/dbraw/zinc/07/90/64/400079064.db2.gz OVDPKKSGQUZIOI-YPMHNXCESA-N 1 3 302.340 2.654 20 0 DFADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245421074 146068928 /nfs/dbraw/zinc/06/89/28/146068928.db2.gz HUIDGLBZSZIEHC-YOEHRIQHSA-N 1 3 304.434 2.635 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245421074 146068931 /nfs/dbraw/zinc/06/89/31/146068931.db2.gz HUIDGLBZSZIEHC-YOEHRIQHSA-N 1 3 304.434 2.635 20 0 DFADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000245749813 146099938 /nfs/dbraw/zinc/09/99/38/146099938.db2.gz NMZGYQLKCFSDDA-WMZOPIPTSA-N 1 3 320.477 2.874 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000245749813 146099939 /nfs/dbraw/zinc/09/99/39/146099939.db2.gz NMZGYQLKCFSDDA-WMZOPIPTSA-N 1 3 320.477 2.874 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)[C@H]1CCc2ccc(F)cc21 ZINC000246018015 146114615 /nfs/dbraw/zinc/11/46/15/146114615.db2.gz LCYRYZNIVLDEBL-IBGZPJMESA-N 1 3 319.468 2.771 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)[C@H]1CCc2ccc(F)cc21 ZINC000246018015 146114618 /nfs/dbraw/zinc/11/46/18/146114618.db2.gz LCYRYZNIVLDEBL-IBGZPJMESA-N 1 3 319.468 2.771 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000246098132 146119903 /nfs/dbraw/zinc/11/99/03/146119903.db2.gz ANEAPTVAYOFASP-ZHALLVOQSA-N 1 3 324.509 2.767 20 0 DFADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000246296658 146136306 /nfs/dbraw/zinc/13/63/06/146136306.db2.gz VAUCDQIUWGMREL-RHSMWYFYSA-N 1 3 318.465 2.598 20 0 DFADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000246296658 146136307 /nfs/dbraw/zinc/13/63/07/146136307.db2.gz VAUCDQIUWGMREL-RHSMWYFYSA-N 1 3 318.465 2.598 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246541215 146143684 /nfs/dbraw/zinc/14/36/84/146143684.db2.gz VXSFIYQFNXBELC-MAUKXSAKSA-N 1 3 306.450 2.532 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246541215 146143687 /nfs/dbraw/zinc/14/36/87/146143687.db2.gz VXSFIYQFNXBELC-MAUKXSAKSA-N 1 3 306.450 2.532 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3c(F)cccc3F)C2)[C@@H](C)C1 ZINC000247090556 146160372 /nfs/dbraw/zinc/16/03/72/146160372.db2.gz NZDDAHPSMDWEQE-ZQIUZPCESA-N 1 3 323.431 2.863 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3c(F)cccc3F)C2)[C@@H](C)C1 ZINC000247090556 146160373 /nfs/dbraw/zinc/16/03/73/146160373.db2.gz NZDDAHPSMDWEQE-ZQIUZPCESA-N 1 3 323.431 2.863 20 0 DFADHO CCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090572 146160463 /nfs/dbraw/zinc/16/04/63/146160463.db2.gz NZHWDEOMENFHDE-CUDHKJQZSA-N 1 3 315.505 2.969 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090572 146160466 /nfs/dbraw/zinc/16/04/66/146160466.db2.gz NZHWDEOMENFHDE-CUDHKJQZSA-N 1 3 315.505 2.969 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090572 146160468 /nfs/dbraw/zinc/16/04/68/146160468.db2.gz NZHWDEOMENFHDE-CUDHKJQZSA-N 1 3 315.505 2.969 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000247215169 146165259 /nfs/dbraw/zinc/16/52/59/146165259.db2.gz VQMRQKXIVSOGQE-QFBILLFUSA-N 1 3 312.461 2.751 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248886119 146173621 /nfs/dbraw/zinc/17/36/21/146173621.db2.gz MCBIZNMAKSZKKG-QXCZDIPSSA-N 1 3 314.473 2.931 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248886119 146173626 /nfs/dbraw/zinc/17/36/26/146173626.db2.gz MCBIZNMAKSZKKG-QXCZDIPSSA-N 1 3 314.473 2.931 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249163073 146189503 /nfs/dbraw/zinc/18/95/03/146189503.db2.gz ZNQLFWZCYAKVGK-SXLOBPIMSA-N 1 3 315.505 2.828 20 0 DFADHO CC(=O)Nc1ccccc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261616657 146247035 /nfs/dbraw/zinc/24/70/35/146247035.db2.gz CSUKPFYBMPVQHK-MOPGFXCFSA-N 1 3 323.440 2.819 20 0 DFADHO c1ccc(N2CCC(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000261668889 146256839 /nfs/dbraw/zinc/25/68/39/146256839.db2.gz GZRYCBJSEPRLJN-KZNAEPCWSA-N 1 3 314.477 2.561 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(OC(F)(F)F)c3)C[C@@H]12 ZINC000261773625 146274455 /nfs/dbraw/zinc/27/44/55/146274455.db2.gz WFDPWWWRSOESFJ-MRVWCRGKSA-N 1 3 300.324 2.754 20 0 DFADHO C[C@H](c1cccc(C(F)(F)F)c1)N(C)CCN1CC[NH2+]CC1 ZINC000261853286 146288559 /nfs/dbraw/zinc/28/85/59/146288559.db2.gz DVGYVQIRRJSPJQ-CYBMUJFWSA-N 1 3 315.383 2.603 20 0 DFADHO CN(C[C@]1(C)CC[NH2+]C1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000261881837 146295062 /nfs/dbraw/zinc/29/50/62/146295062.db2.gz RCOHASOUYKRSHB-RCCFBDPRSA-N 1 3 306.425 2.977 20 0 DFADHO CN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000261881831 146295493 /nfs/dbraw/zinc/29/54/93/146295493.db2.gz RCOHASOUYKRSHB-KZNAEPCWSA-N 1 3 306.425 2.977 20 0 DFADHO COc1cc2c(c(CN3CCC4(C3)CC[NH2+]CC4)c1)O[C@@H](C)C2 ZINC000262010727 146322145 /nfs/dbraw/zinc/32/21/45/146322145.db2.gz MFAPIACHISODNN-AWEZNQCLSA-N 1 3 316.445 2.594 20 0 DFADHO CCC[C@@](C)(N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000262707271 146384124 /nfs/dbraw/zinc/38/41/24/146384124.db2.gz NGTBLBNNKVYGAA-HNAYVOBHSA-N 1 3 317.477 2.846 20 0 DFADHO CCC[C@](C)(N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000262710873 146384228 /nfs/dbraw/zinc/38/42/28/146384228.db2.gz QLDJYTXYFFMQJZ-RYRKJORJSA-N 1 3 309.498 2.617 20 0 DFADHO CCC[C@](C)(N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000262710873 146384230 /nfs/dbraw/zinc/38/42/30/146384230.db2.gz QLDJYTXYFFMQJZ-RYRKJORJSA-N 1 3 309.498 2.617 20 0 DFADHO C[C@@H]1CC[C@H](CN(C)[C@H]2CCC[N@H+](C[C@H]3CC[C@@H](C)O3)CC2)O1 ZINC000354673008 147112683 /nfs/dbraw/zinc/11/26/83/147112683.db2.gz NCWOVLSIHJWUCV-UJWQCDCRSA-N 1 3 324.509 2.908 20 0 DFADHO C[C@@H]1CC[C@H](CN(C)[C@H]2CCC[N@@H+](C[C@H]3CC[C@@H](C)O3)CC2)O1 ZINC000354673008 147112687 /nfs/dbraw/zinc/11/26/87/147112687.db2.gz NCWOVLSIHJWUCV-UJWQCDCRSA-N 1 3 324.509 2.908 20 0 DFADHO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](N(C)C[C@@H]3CC[C@@H](C)O3)CC2)O1 ZINC000354673011 147112948 /nfs/dbraw/zinc/11/29/48/147112948.db2.gz NCWOVLSIHJWUCV-ZSXDVEMLSA-N 1 3 324.509 2.908 20 0 DFADHO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](N(C)C[C@@H]3CC[C@@H](C)O3)CC2)O1 ZINC000354673011 147112951 /nfs/dbraw/zinc/11/29/51/147112951.db2.gz NCWOVLSIHJWUCV-ZSXDVEMLSA-N 1 3 324.509 2.908 20 0 DFADHO Cc1cnc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000354873902 147186518 /nfs/dbraw/zinc/18/65/18/147186518.db2.gz AZUYFDFYOHFGJR-UHFFFAOYSA-N 1 3 311.433 2.528 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000354924283 147197254 /nfs/dbraw/zinc/19/72/54/147197254.db2.gz WOPWNEKLDWXGSZ-QGZVFWFLSA-N 1 3 321.509 2.728 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000354924283 147197257 /nfs/dbraw/zinc/19/72/57/147197257.db2.gz WOPWNEKLDWXGSZ-QGZVFWFLSA-N 1 3 321.509 2.728 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc([S@](C)=O)cc1 ZINC000599072025 543468485 /nfs/dbraw/zinc/46/84/85/543468485.db2.gz WVFJNWYIZFSDTL-ZSDSOXJFSA-N 1 3 308.491 2.807 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000357635816 148065553 /nfs/dbraw/zinc/06/55/53/148065553.db2.gz KCSSPJLOYWXYSE-BEFAXECRSA-N 1 3 302.462 2.841 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nc(C)oc2C)[C@H](C)C1 ZINC000357780498 148118491 /nfs/dbraw/zinc/11/84/91/148118491.db2.gz WJPWMTQJDJQLPW-RHSMWYFYSA-N 1 3 323.481 2.561 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nc(C)oc2C)[C@H](C)C1 ZINC000357780498 148118493 /nfs/dbraw/zinc/11/84/93/148118493.db2.gz WJPWMTQJDJQLPW-RHSMWYFYSA-N 1 3 323.481 2.561 20 0 DFADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000358002571 148207521 /nfs/dbraw/zinc/20/75/21/148207521.db2.gz GRNTZCUAKWSGDV-WMLDXEAASA-N 1 3 303.450 2.711 20 0 DFADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000358002571 148207524 /nfs/dbraw/zinc/20/75/24/148207524.db2.gz GRNTZCUAKWSGDV-WMLDXEAASA-N 1 3 303.450 2.711 20 0 DFADHO CC(C)CC[C@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000638211834 543498227 /nfs/dbraw/zinc/49/82/27/543498227.db2.gz VISCDJNGWKHCSJ-ZDUSSCGKSA-N 1 3 317.355 2.866 20 0 DFADHO CC(C)c1ccc2c(c1)[C@H](NC[C@@]1(O)CC[N@H+](C)C1)CCC2 ZINC000358251558 148303704 /nfs/dbraw/zinc/30/37/04/148303704.db2.gz KRLXCTWLCMVXBS-MOPGFXCFSA-N 1 3 302.462 2.844 20 0 DFADHO CC(C)c1ccc2c(c1)[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)CCC2 ZINC000358251558 148303709 /nfs/dbraw/zinc/30/37/09/148303709.db2.gz KRLXCTWLCMVXBS-MOPGFXCFSA-N 1 3 302.462 2.844 20 0 DFADHO CC[NH+](CC)CCOCCNCc1cc(C)c2ncccc2c1 ZINC000350313323 286027372 /nfs/dbraw/zinc/02/73/72/286027372.db2.gz GAIJCWRAJVZWCS-UHFFFAOYSA-N 1 3 315.461 2.991 20 0 DFADHO CN1CCC(O)(C[NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657372296 543517342 /nfs/dbraw/zinc/51/73/42/543517342.db2.gz RZHLKXQEEVROLD-UHFFFAOYSA-N 1 3 316.470 2.961 20 0 DFADHO CC[NH+]1CCC(CCNC(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000359498616 148675623 /nfs/dbraw/zinc/67/56/23/148675623.db2.gz YFOQWKMOTMYTSO-SFHVURJKSA-N 1 3 323.525 2.735 20 0 DFADHO Cc1n[nH]cc1CN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350556398 286057909 /nfs/dbraw/zinc/05/79/09/286057909.db2.gz LXKNRFXLHOEYIU-PKOBYXMFSA-N 1 3 312.461 2.890 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNCc2cn(C)nc2C(F)F)C1 ZINC000360984538 149000168 /nfs/dbraw/zinc/00/01/68/149000168.db2.gz RKZLPMXVBQGGSS-CYBMUJFWSA-N 1 3 314.424 2.959 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cn(C)nc2C(F)F)C1 ZINC000360984538 149000169 /nfs/dbraw/zinc/00/01/69/149000169.db2.gz RKZLPMXVBQGGSS-CYBMUJFWSA-N 1 3 314.424 2.959 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@H](C[NH3+])c3ccccc3)n2)cc1 ZINC000350781509 286087265 /nfs/dbraw/zinc/08/72/65/286087265.db2.gz GIDMUMDRRZTSBM-QGZVFWFLSA-N 1 3 322.412 2.889 20 0 DFADHO CCN(C)c1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cn1 ZINC000361605734 149165079 /nfs/dbraw/zinc/16/50/79/149165079.db2.gz YAWQWKIRQOYYJZ-UHFFFAOYSA-N 1 3 302.466 2.598 20 0 DFADHO CCN(C)c1ccc(C[N@H+]2CCCC23CCN(C)CC3)cn1 ZINC000361605734 149165081 /nfs/dbraw/zinc/16/50/81/149165081.db2.gz YAWQWKIRQOYYJZ-UHFFFAOYSA-N 1 3 302.466 2.598 20 0 DFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000361966631 149267433 /nfs/dbraw/zinc/26/74/33/149267433.db2.gz NPNMYKKNFXNQRL-IEBWSBKVSA-N 1 3 316.493 2.508 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000351270183 286119443 /nfs/dbraw/zinc/11/94/43/286119443.db2.gz NMEXXDMCUPALIM-GOSISDBHSA-N 1 3 304.482 2.568 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000351270183 286119444 /nfs/dbraw/zinc/11/94/44/286119444.db2.gz NMEXXDMCUPALIM-GOSISDBHSA-N 1 3 304.482 2.568 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(OCC(F)(F)F)c3)C[C@H]12 ZINC000351472246 286128533 /nfs/dbraw/zinc/12/85/33/286128533.db2.gz AHTUXBPBOLYIDR-AEGPPILISA-N 1 3 314.351 2.797 20 0 DFADHO CCc1ccc([C@H](NC[C@@H](O)C[N@H+](C)C2CC2)C(C)C)cc1 ZINC000351539565 286147541 /nfs/dbraw/zinc/14/75/41/286147541.db2.gz UPZGAEJTPQOORO-RTBURBONSA-N 1 3 304.478 2.991 20 0 DFADHO CCc1ccc([C@H](NC[C@@H](O)C[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000351539565 286147543 /nfs/dbraw/zinc/14/75/43/286147543.db2.gz UPZGAEJTPQOORO-RTBURBONSA-N 1 3 304.478 2.991 20 0 DFADHO C[N@H+](C[C@H](O)CN[C@@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000351571688 286157263 /nfs/dbraw/zinc/15/72/63/286157263.db2.gz AVKXVJIWHPXFJX-MOPGFXCFSA-N 1 3 302.462 2.963 20 0 DFADHO C[N@@H+](C[C@H](O)CN[C@@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000351571688 286157264 /nfs/dbraw/zinc/15/72/64/286157264.db2.gz AVKXVJIWHPXFJX-MOPGFXCFSA-N 1 3 302.462 2.963 20 0 DFADHO CCn1cc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000371898419 150110615 /nfs/dbraw/zinc/11/06/15/150110615.db2.gz DEOSHRXEDMHRKQ-UHFFFAOYSA-N 1 3 313.449 2.646 20 0 DFADHO CN1CC[C@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1cccs1 ZINC000372098238 150136951 /nfs/dbraw/zinc/13/69/51/150136951.db2.gz HXPZTXPAAJOXBR-PBHICJAKSA-N 1 3 323.506 2.766 20 0 DFADHO Cc1nnc([C@@H]2CC23CC[NH+](CCCN2CCCCC2)CC3)o1 ZINC000372460844 150175550 /nfs/dbraw/zinc/17/55/50/150175550.db2.gz VKERAQRRVMKUJM-INIZCTEOSA-N 1 3 318.465 2.824 20 0 DFADHO CN1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@@H]1c1cccs1 ZINC000373182837 150242569 /nfs/dbraw/zinc/24/25/69/150242569.db2.gz MCRXJVCJYDYLGO-XTOXLMAPSA-N 1 3 319.518 2.956 20 0 DFADHO CC[C@H](C)NC(=[NH2+])NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000374006043 150291723 /nfs/dbraw/zinc/29/17/23/150291723.db2.gz ODZCXUIKYYGASA-YJBOKZPZSA-N 1 3 302.466 2.811 20 0 DFADHO O[C@@]1(c2ccccc2)CCC[N@H+](CCCN2CCCC2)CC1 ZINC000375085966 150399443 /nfs/dbraw/zinc/39/94/43/150399443.db2.gz XCPATAVNCIYZIE-IBGZPJMESA-N 1 3 302.462 2.846 20 0 DFADHO O[C@@]1(c2ccccc2)CCC[N@@H+](CCCN2CCCC2)CC1 ZINC000375085966 150399447 /nfs/dbraw/zinc/39/94/47/150399447.db2.gz XCPATAVNCIYZIE-IBGZPJMESA-N 1 3 302.462 2.846 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCN(CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000351862784 286233947 /nfs/dbraw/zinc/23/39/47/286233947.db2.gz QOHSWLBWQQXNEN-NWDGAFQWSA-N 1 3 318.339 2.633 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCN(CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000351862783 286233986 /nfs/dbraw/zinc/23/39/86/286233986.db2.gz QOHSWLBWQQXNEN-NEPJUHHUSA-N 1 3 318.339 2.633 20 0 DFADHO O[C@H](CNC1CC(c2ccccc2Cl)C1)C[NH+]1CCCC1 ZINC000352221826 286321693 /nfs/dbraw/zinc/32/16/93/286321693.db2.gz OALNAKQGVKZSGY-YMAMQOFZSA-N 1 3 308.853 2.632 20 0 DFADHO CCCN1CCN(c2ccccc2C[N@H+](C)[C@H](C)COC)CC1 ZINC000352311770 286342002 /nfs/dbraw/zinc/34/20/02/286342002.db2.gz ZADAHFKDXAUKHD-QGZVFWFLSA-N 1 3 319.493 2.685 20 0 DFADHO CCCN1CCN(c2ccccc2C[N@@H+](C)[C@H](C)COC)CC1 ZINC000352311770 286342003 /nfs/dbraw/zinc/34/20/03/286342003.db2.gz ZADAHFKDXAUKHD-QGZVFWFLSA-N 1 3 319.493 2.685 20 0 DFADHO CCOc1cc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)ccc1OC ZINC000246806354 158098815 /nfs/dbraw/zinc/09/88/15/158098815.db2.gz BLJJSPORPVFCQY-HOCLYGCPSA-N 1 3 306.450 2.914 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)[C@@H](C)C1 ZINC000247025053 158113544 /nfs/dbraw/zinc/11/35/44/158113544.db2.gz PKXHOLKDMFCHDO-WMLDXEAASA-N 1 3 316.424 2.831 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)N2CCc3sccc3C2)[C@@H](C)C1 ZINC000247185060 158122193 /nfs/dbraw/zinc/12/21/93/158122193.db2.gz ZLDXVJFBGIPANL-UXLLHSPISA-N 1 3 321.534 2.815 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](C)N2CCc3sccc3C2)[C@@H](C)C1 ZINC000247185060 158122194 /nfs/dbraw/zinc/12/21/94/158122194.db2.gz ZLDXVJFBGIPANL-UXLLHSPISA-N 1 3 321.534 2.815 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](C)N2CCc3sccc3C2)[C@@H](C)C1 ZINC000247185083 158122503 /nfs/dbraw/zinc/12/25/03/158122503.db2.gz ZLDXVJFBGIPANL-ZOBUZTSGSA-N 1 3 321.534 2.815 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](C)N2CCc3sccc3C2)[C@@H](C)C1 ZINC000247185083 158122505 /nfs/dbraw/zinc/12/25/05/158122505.db2.gz ZLDXVJFBGIPANL-ZOBUZTSGSA-N 1 3 321.534 2.815 20 0 DFADHO C[C@@H]1C[C@H](NC[C@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000248031284 158157148 /nfs/dbraw/zinc/15/71/48/158157148.db2.gz QMLLMNWKHNCOEB-BZUAXINKSA-N 1 3 307.507 2.957 20 0 DFADHO C[C@@H]1C[C@H](NC[C@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000248031284 158157151 /nfs/dbraw/zinc/15/71/51/158157151.db2.gz QMLLMNWKHNCOEB-BZUAXINKSA-N 1 3 307.507 2.957 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)CCN1C ZINC000248031284 158157155 /nfs/dbraw/zinc/15/71/55/158157155.db2.gz QMLLMNWKHNCOEB-BZUAXINKSA-N 1 3 307.507 2.957 20 0 DFADHO C[C@H](CCn1cccn1)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248401655 158172671 /nfs/dbraw/zinc/17/26/71/158172671.db2.gz MELWRVODBQREHZ-IKGGRYGDSA-N 1 3 304.482 2.904 20 0 DFADHO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248583122 158185841 /nfs/dbraw/zinc/18/58/41/158185841.db2.gz WOBKMHWOVIVDIS-LASHMREHSA-N 1 3 314.473 2.790 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccccc2C(=O)OC)[C@@H](C)C1 ZINC000248587908 158186879 /nfs/dbraw/zinc/18/68/79/158186879.db2.gz YJTHXAXCOWRMDH-MAUKXSAKSA-N 1 3 318.461 2.678 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccccc2C(=O)OC)[C@@H](C)C1 ZINC000248587908 158186882 /nfs/dbraw/zinc/18/68/82/158186882.db2.gz YJTHXAXCOWRMDH-MAUKXSAKSA-N 1 3 318.461 2.678 20 0 DFADHO OCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248819657 158203251 /nfs/dbraw/zinc/20/32/51/158203251.db2.gz WIJMHSOQMFLVGN-CEXWTWQISA-N 1 3 302.462 2.649 20 0 DFADHO CC[NH+](CC)CCOc1ccccc1CN[C@H](C)CCOC ZINC000268783028 158209278 /nfs/dbraw/zinc/20/92/78/158209278.db2.gz QKWSFBRKWRNATO-MRXNPFEDSA-N 1 3 308.466 2.922 20 0 DFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H]1CCOC1 ZINC000357027084 158351776 /nfs/dbraw/zinc/35/17/76/158351776.db2.gz SBNKQSNGSCQLHJ-KRWDZBQOSA-N 1 3 303.450 2.656 20 0 DFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H]1CCOC1 ZINC000357027084 158351779 /nfs/dbraw/zinc/35/17/79/158351779.db2.gz SBNKQSNGSCQLHJ-KRWDZBQOSA-N 1 3 303.450 2.656 20 0 DFADHO C[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000357040837 158354853 /nfs/dbraw/zinc/35/48/53/158354853.db2.gz OVNAZHATKHMDJL-RZFLPCETSA-N 1 3 323.525 2.732 20 0 DFADHO C[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000357040837 158354856 /nfs/dbraw/zinc/35/48/56/158354856.db2.gz OVNAZHATKHMDJL-RZFLPCETSA-N 1 3 323.525 2.732 20 0 DFADHO c1nc(-c2ccccc2)[nH]c1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357051687 158356910 /nfs/dbraw/zinc/35/69/10/158356910.db2.gz NFBJCGBAHUVKGG-QGZVFWFLSA-N 1 3 310.445 2.898 20 0 DFADHO CCCn1nc(C)c(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1C ZINC000357059401 158359430 /nfs/dbraw/zinc/35/94/30/158359430.db2.gz WZRXEHVQACDBJO-KRWDZBQOSA-N 1 3 304.482 2.731 20 0 DFADHO Cn1cc(CN2CCC3(CC[NH2+]C3)CC2)c(-c2ccccc2)n1 ZINC000430936128 296813682 /nfs/dbraw/zinc/81/36/82/296813682.db2.gz XMTVYAYGARTZOL-UHFFFAOYSA-N 1 3 310.445 2.663 20 0 DFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000268924436 287022563 /nfs/dbraw/zinc/02/25/63/287022563.db2.gz PKOLQHYFQUDPNI-UKRRQHHQSA-N 1 3 312.404 2.852 20 0 DFADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000268924436 287022564 /nfs/dbraw/zinc/02/25/64/287022564.db2.gz PKOLQHYFQUDPNI-UKRRQHHQSA-N 1 3 312.404 2.852 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000129584368 196059721 /nfs/dbraw/zinc/05/97/21/196059721.db2.gz FYIPUUHHMYPZEL-KLHDSHLOSA-N 1 3 306.450 2.781 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000129584368 196059724 /nfs/dbraw/zinc/05/97/24/196059724.db2.gz FYIPUUHHMYPZEL-KLHDSHLOSA-N 1 3 306.450 2.781 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)N(C)C1CC1 ZINC000130728768 196104098 /nfs/dbraw/zinc/10/40/98/196104098.db2.gz YUAYXRVERHOGKT-HOTGVXAUSA-N 1 3 319.493 2.760 20 0 DFADHO C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cccc(OCCN(C)C)c1 ZINC000130875634 196118737 /nfs/dbraw/zinc/11/87/37/196118737.db2.gz ZFTVOFNEDCBLPB-JKSUJKDBSA-N 1 3 319.493 2.760 20 0 DFADHO C[C@H]1C[C@H](NCCc2nccn2Cc2ccccc2)CC[N@@H+]1C ZINC000132128868 196228464 /nfs/dbraw/zinc/22/84/64/196228464.db2.gz QTDWSMKAISZXJQ-FUHWJXTLSA-N 1 3 312.461 2.546 20 0 DFADHO C[C@H]1C[C@H](NCCc2nccn2Cc2ccccc2)CC[N@H+]1C ZINC000132128868 196228466 /nfs/dbraw/zinc/22/84/66/196228466.db2.gz QTDWSMKAISZXJQ-FUHWJXTLSA-N 1 3 312.461 2.546 20 0 DFADHO C[C@H]1C[C@@H](NCCc2nccn2Cc2ccccc2)CC[N@@H+]1C ZINC000132129272 196228674 /nfs/dbraw/zinc/22/86/74/196228674.db2.gz QTDWSMKAISZXJQ-WMZOPIPTSA-N 1 3 312.461 2.546 20 0 DFADHO C[C@H]1C[C@@H](NCCc2nccn2Cc2ccccc2)CC[N@H+]1C ZINC000132129272 196228676 /nfs/dbraw/zinc/22/86/76/196228676.db2.gz QTDWSMKAISZXJQ-WMZOPIPTSA-N 1 3 312.461 2.546 20 0 DFADHO Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000132749121 196280653 /nfs/dbraw/zinc/28/06/53/196280653.db2.gz IODRNEYIJUGZIM-KUHUBIRLSA-N 1 3 318.436 2.904 20 0 DFADHO C[NH+](C)CC1CCN(Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667501701 543619504 /nfs/dbraw/zinc/61/95/04/543619504.db2.gz HOSUYSCTGVMXFZ-IBGZPJMESA-N 1 3 318.461 2.628 20 0 DFADHO C[NH+](C)CC[C@@H](NC(=O)Nc1cccc(CN)c1)C(C)(C)C ZINC000667728364 543667898 /nfs/dbraw/zinc/66/78/98/543667898.db2.gz SAXCOUJREBFVSA-OAHLLOKOSA-N 1 3 306.454 2.633 20 0 DFADHO CC1CC[NH+](CCCCNC(=O)Nc2cccc(CN)c2)CC1 ZINC000667731195 543668675 /nfs/dbraw/zinc/66/86/75/543668675.db2.gz NKAWPTIOJWADJI-UHFFFAOYSA-N 1 3 318.465 2.779 20 0 DFADHO COC[C@H](C)Oc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000668172108 543758817 /nfs/dbraw/zinc/75/88/17/543758817.db2.gz DNLKCTSHRZAKFI-JTDSTZFVSA-N 1 3 320.477 2.872 20 0 DFADHO COC[C@H](C)Oc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000668172108 543758819 /nfs/dbraw/zinc/75/88/19/543758819.db2.gz DNLKCTSHRZAKFI-JTDSTZFVSA-N 1 3 320.477 2.872 20 0 DFADHO CC1=CC[C@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CC1 ZINC000668488604 543813985 /nfs/dbraw/zinc/81/39/85/543813985.db2.gz CWEAMHVBNSTGGX-RBUKOAKNSA-N 1 3 300.446 2.842 20 0 DFADHO CO[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000668712178 543851680 /nfs/dbraw/zinc/85/16/80/543851680.db2.gz ZSQNSOPIBLKDMG-GOSISDBHSA-N 1 3 303.450 2.845 20 0 DFADHO C[C@H](CCc1ccccc1)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668739178 543858226 /nfs/dbraw/zinc/85/82/26/543858226.db2.gz KAGBDOGDMKPFCP-YLJYHZDGSA-N 1 3 316.489 2.786 20 0 DFADHO C[C@H](CCc1ccccc1)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668739178 543858229 /nfs/dbraw/zinc/85/82/29/543858229.db2.gz KAGBDOGDMKPFCP-YLJYHZDGSA-N 1 3 316.489 2.786 20 0 DFADHO C[C@@H](CCc1ccccc1)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668739176 543858337 /nfs/dbraw/zinc/85/83/37/543858337.db2.gz KAGBDOGDMKPFCP-PXNSSMCTSA-N 1 3 316.489 2.786 20 0 DFADHO C[C@@H](CCc1ccccc1)CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668739176 543858339 /nfs/dbraw/zinc/85/83/39/543858339.db2.gz KAGBDOGDMKPFCP-PXNSSMCTSA-N 1 3 316.489 2.786 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1(C)C ZINC000669618825 543976209 /nfs/dbraw/zinc/97/62/09/543976209.db2.gz BHFCBGOJBFZTHL-KRWDZBQOSA-N 1 3 323.431 2.568 20 0 DFADHO CC(C)(C(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@@H](N)c1ccccc1 ZINC000669514648 543959155 /nfs/dbraw/zinc/95/91/55/543959155.db2.gz WNNLMRKLPLEJQT-SFHVURJKSA-N 1 3 323.440 2.632 20 0 DFADHO O=C(Nc1ccc2c(c1)CNC2)C1(c2ccccc2)CC[NH2+]CC1 ZINC000669520423 543959564 /nfs/dbraw/zinc/95/95/64/543959564.db2.gz LSLUXIMLLULQED-UHFFFAOYSA-N 1 3 321.424 2.550 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)C1CCCC1 ZINC000674087752 544219288 /nfs/dbraw/zinc/21/92/88/544219288.db2.gz AIUKIBXDWMCJSM-SJLPKXTDSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)C1CCCC1 ZINC000674087752 544219290 /nfs/dbraw/zinc/21/92/90/544219290.db2.gz AIUKIBXDWMCJSM-SJLPKXTDSA-N 1 3 323.525 2.687 20 0 DFADHO CO[C@H]1C[C@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C1(C)C ZINC000674677503 544250702 /nfs/dbraw/zinc/25/07/02/544250702.db2.gz JIZRZDFKAVGDQX-IRXDYDNUSA-N 1 3 306.450 2.530 20 0 DFADHO COc1ccc(F)cc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000297585848 227333152 /nfs/dbraw/zinc/33/31/52/227333152.db2.gz IVNWCSHMYCXRTQ-UHFFFAOYSA-N 1 3 315.392 2.988 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000677154058 544442506 /nfs/dbraw/zinc/44/25/06/544442506.db2.gz ZCOZZEPHQBEEGL-INIZCTEOSA-N 1 3 306.450 2.674 20 0 DFADHO CN1CCC[C@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749541 544536038 /nfs/dbraw/zinc/53/60/38/544536038.db2.gz MKQQWBVSTOPETB-RTBURBONSA-N 1 3 315.505 2.971 20 0 DFADHO CC1(C)C[C@@H]([NH2+][C@H]2CCc3cn[nH]c3C2)CN1Cc1ccccc1 ZINC000677749630 544536137 /nfs/dbraw/zinc/53/61/37/544536137.db2.gz LUQJSVKBQAQCKG-ZWKOTPCHSA-N 1 3 324.472 2.910 20 0 DFADHO COc1ccc([C@H](CN(C)C)[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000298120716 228365755 /nfs/dbraw/zinc/36/57/55/228365755.db2.gz PGRIWCYTPKHILA-IBGZPJMESA-N 1 3 317.477 2.514 20 0 DFADHO CC(C)[N@@H+]1CCCN(Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000678120606 544603607 /nfs/dbraw/zinc/60/36/07/544603607.db2.gz VQZRFKXUWZHSTP-UHFFFAOYSA-N 1 3 319.493 2.543 20 0 DFADHO CC(C)[N@H+]1CCCN(Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000678120606 544603608 /nfs/dbraw/zinc/60/36/08/544603608.db2.gz VQZRFKXUWZHSTP-UHFFFAOYSA-N 1 3 319.493 2.543 20 0 DFADHO C[N@@H+]1CCC[C@H](N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000678259080 544634847 /nfs/dbraw/zinc/63/48/47/544634847.db2.gz YPYTUFNPRRRALY-HSALFYBXSA-N 1 3 313.489 2.502 20 0 DFADHO C[N@H+]1CCC[C@H](N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000678259080 544634853 /nfs/dbraw/zinc/63/48/53/544634853.db2.gz YPYTUFNPRRRALY-HSALFYBXSA-N 1 3 313.489 2.502 20 0 DFADHO CCCc1cc(N2CCC[N@H+](CCO)CC2)c2ccccc2n1 ZINC000124665431 425931977 /nfs/dbraw/zinc/93/19/77/425931977.db2.gz NXEUVYWATJOIIG-UHFFFAOYSA-N 1 3 313.445 2.692 20 0 DFADHO CCCc1cc(N2CCC[N@@H+](CCO)CC2)c2ccccc2n1 ZINC000124665431 425931979 /nfs/dbraw/zinc/93/19/79/425931979.db2.gz NXEUVYWATJOIIG-UHFFFAOYSA-N 1 3 313.445 2.692 20 0 DFADHO CCCn1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000192919813 268054339 /nfs/dbraw/zinc/05/43/39/268054339.db2.gz GSBYGCYMOHDGRI-SFHVURJKSA-N 1 3 312.461 2.905 20 0 DFADHO C[C@H](NCCO[C@@H]1CCCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193117770 268060791 /nfs/dbraw/zinc/06/07/91/268060791.db2.gz PUPZGXHCTZFKON-LZLYRXPVSA-N 1 3 310.482 2.772 20 0 DFADHO C[C@H](NCCO[C@@H]1CCCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000193117770 268060793 /nfs/dbraw/zinc/06/07/93/268060793.db2.gz PUPZGXHCTZFKON-LZLYRXPVSA-N 1 3 310.482 2.772 20 0 DFADHO C[C@H]([NH2+]CCO[C@@H]1CCCCO1)[C@@H]1CCCN(C2CCC2)C1 ZINC000193117770 268060795 /nfs/dbraw/zinc/06/07/95/268060795.db2.gz PUPZGXHCTZFKON-LZLYRXPVSA-N 1 3 310.482 2.772 20 0 DFADHO CN(CC[C@H]1CC[NH2+]C1)Cc1ccc(Br)s1 ZINC000258878349 268168977 /nfs/dbraw/zinc/16/89/77/268168977.db2.gz BIEYCJJBIMTAQI-SNVBAGLBSA-N 1 3 303.269 2.942 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000268801731 268185936 /nfs/dbraw/zinc/18/59/36/268185936.db2.gz DKUBJHRJNMPKCR-QFBILLFUSA-N 1 3 312.461 2.735 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000268801731 268185940 /nfs/dbraw/zinc/18/59/40/268185940.db2.gz DKUBJHRJNMPKCR-QFBILLFUSA-N 1 3 312.461 2.735 20 0 DFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000271449291 268249272 /nfs/dbraw/zinc/24/92/72/268249272.db2.gz DHALJMZNHCPHHV-JBBXEZCESA-N 1 3 324.415 2.993 20 0 DFADHO C[C@@H]1C[C@H](NCCc2nc(-c3ccncc3)cs2)CC[N@@H+]1C ZINC000271520306 268249297 /nfs/dbraw/zinc/24/92/97/268249297.db2.gz QDGHUNVNTCRRRE-UKRRQHHQSA-N 1 3 316.474 2.820 20 0 DFADHO C[C@@H]1C[C@H](NCCc2nc(-c3ccncc3)cs2)CC[N@H+]1C ZINC000271520306 268249299 /nfs/dbraw/zinc/24/92/99/268249299.db2.gz QDGHUNVNTCRRRE-UKRRQHHQSA-N 1 3 316.474 2.820 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CCCNc3ccccc32)CC1(C)C ZINC000282146094 268272259 /nfs/dbraw/zinc/27/22/59/268272259.db2.gz CKEVBDBXYQGXBW-GOSISDBHSA-N 1 3 316.493 2.549 20 0 DFADHO C[C@H](N[C@@H]1COCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312993084 268338284 /nfs/dbraw/zinc/33/82/84/268338284.db2.gz YVFDSTWNYWZPFJ-CGTJXYLNSA-N 1 3 302.462 2.912 20 0 DFADHO C[C@H](N[C@@H]1COCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312993084 268338285 /nfs/dbraw/zinc/33/82/85/268338285.db2.gz YVFDSTWNYWZPFJ-CGTJXYLNSA-N 1 3 302.462 2.912 20 0 DFADHO COc1ccc(C[C@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000319300486 268346350 /nfs/dbraw/zinc/34/63/50/268346350.db2.gz ILDKOLOPQGGWQG-QWQRMKEZSA-N 1 3 306.450 2.552 20 0 DFADHO CCc1noc(C2CCC([NH2+][C@H](C)[C@H]3CCCNC3)CC2)n1 ZINC000333182778 268380483 /nfs/dbraw/zinc/38/04/83/268380483.db2.gz QCJFHAIDAWXEPO-JLVJUDLZSA-N 1 3 306.454 2.636 20 0 DFADHO CC[NH+]1CCN(Cc2ccc(CNCc3ccco3)cc2)CC1 ZINC000069708677 425954096 /nfs/dbraw/zinc/95/40/96/425954096.db2.gz BVZNECFCQILQOI-UHFFFAOYSA-N 1 3 313.445 2.707 20 0 DFADHO CC(C)Oc1ccc([C@@H](O)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000125366027 425967971 /nfs/dbraw/zinc/96/79/71/425967971.db2.gz FATWSBOYLLBNSH-KYJSFNMBSA-N 1 3 306.450 2.580 20 0 DFADHO CC(C)Oc1ccc([C@@H](O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000125366027 425967974 /nfs/dbraw/zinc/96/79/74/425967974.db2.gz FATWSBOYLLBNSH-KYJSFNMBSA-N 1 3 306.450 2.580 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)CC1 ZINC000126666034 426030658 /nfs/dbraw/zinc/03/06/58/426030658.db2.gz OPCFEEZNJLOMJM-UHFFFAOYSA-N 1 3 313.489 2.712 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000163217495 426093958 /nfs/dbraw/zinc/09/39/58/426093958.db2.gz KRDWPMVUCBTEFO-LSDHHAIUSA-N 1 3 317.433 2.636 20 0 DFADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc2c(c1)OCCO2 ZINC000163243490 426094196 /nfs/dbraw/zinc/09/41/96/426094196.db2.gz PBPFUOKIIRJQIC-GDBMZVCRSA-N 1 3 304.434 2.840 20 0 DFADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1cc(F)ccc1F ZINC000128263005 426109612 /nfs/dbraw/zinc/10/96/12/426109612.db2.gz HZSGFWLRQWPMGM-CQSZACIVSA-N 1 3 311.420 2.643 20 0 DFADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1cc(F)ccc1F ZINC000128263005 426109616 /nfs/dbraw/zinc/10/96/16/426109616.db2.gz HZSGFWLRQWPMGM-CQSZACIVSA-N 1 3 311.420 2.643 20 0 DFADHO Cc1cccc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)c1C ZINC000128275540 426110084 /nfs/dbraw/zinc/11/00/84/426110084.db2.gz WFHCOFUUYGKDBM-SFHVURJKSA-N 1 3 303.494 2.982 20 0 DFADHO CCC[C@H](N)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000164558436 426115483 /nfs/dbraw/zinc/11/54/83/426115483.db2.gz BYGVXRQUXIUJRI-KRWDZBQOSA-N 1 3 303.450 2.984 20 0 DFADHO Cc1ccccc1C[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128466618 426119619 /nfs/dbraw/zinc/11/96/19/426119619.db2.gz PVCVIODFJLUZRH-GOSISDBHSA-N 1 3 303.494 2.543 20 0 DFADHO [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000165134972 426120820 /nfs/dbraw/zinc/12/08/20/426120820.db2.gz HLJWOFGOUQKOBG-HOTGVXAUSA-N 1 3 301.434 2.738 20 0 DFADHO COC[C@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C(C)C ZINC000165898401 426124619 /nfs/dbraw/zinc/12/46/19/426124619.db2.gz MTXVDNRCQGKNMS-QAPCUYQASA-N 1 3 308.466 2.949 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cc(F)ccc1F ZINC000165944635 426125083 /nfs/dbraw/zinc/12/50/83/426125083.db2.gz UFGYQDRLLTUIRG-GXTWGEPZSA-N 1 3 300.393 2.972 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000166056771 426126254 /nfs/dbraw/zinc/12/62/54/426126254.db2.gz HMEXEPINKGMRRU-JSGCOSHPSA-N 1 3 300.393 2.972 20 0 DFADHO CC(C)[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)N(C)C ZINC000128678391 426128492 /nfs/dbraw/zinc/12/84/92/426128492.db2.gz KKOKZPRHXLBHNS-DAWZGUTISA-N 1 3 323.525 2.732 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@]1(CC)CCC[NH2+]1)c1ccccc1 ZINC000128688508 426129023 /nfs/dbraw/zinc/12/90/23/426129023.db2.gz PETJOLUBBVHKNB-IEBWSBKVSA-N 1 3 317.477 2.718 20 0 DFADHO C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(OCCN(C)C)cc1 ZINC000167019709 426130736 /nfs/dbraw/zinc/13/07/36/426130736.db2.gz DHAALFZRNBRDDG-QAPCUYQASA-N 1 3 306.450 2.847 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000075859931 426087156 /nfs/dbraw/zinc/08/71/56/426087156.db2.gz APHXSJGVZWJPDE-QGZVFWFLSA-N 1 3 321.440 2.961 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000075859931 426087158 /nfs/dbraw/zinc/08/71/58/426087158.db2.gz APHXSJGVZWJPDE-QGZVFWFLSA-N 1 3 321.440 2.961 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130446721 426160708 /nfs/dbraw/zinc/16/07/08/426160708.db2.gz DLMOLWGICKBKIF-AZUAARDMSA-N 1 3 315.505 2.938 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCCN2C)cc1)C(C)C ZINC000171275340 426180646 /nfs/dbraw/zinc/18/06/46/426180646.db2.gz UIACMESDUACPBM-SFHVURJKSA-N 1 3 317.477 2.741 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCCN2C)cc1)C(C)C ZINC000171275340 426180647 /nfs/dbraw/zinc/18/06/47/426180647.db2.gz UIACMESDUACPBM-SFHVURJKSA-N 1 3 317.477 2.741 20 0 DFADHO CCc1ccc([C@H](C[NH2+][C@H]2CCN(C)[C@H](C)C2)N(C)C)cc1 ZINC000133807329 426184118 /nfs/dbraw/zinc/18/41/18/426184118.db2.gz JJVUHZVLMHHSTC-MNEFBYGVSA-N 1 3 303.494 2.924 20 0 DFADHO CCc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000133807329 426184121 /nfs/dbraw/zinc/18/41/21/426184121.db2.gz JJVUHZVLMHHSTC-MNEFBYGVSA-N 1 3 303.494 2.924 20 0 DFADHO CCc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000133807329 426184123 /nfs/dbraw/zinc/18/41/23/426184123.db2.gz JJVUHZVLMHHSTC-MNEFBYGVSA-N 1 3 303.494 2.924 20 0 DFADHO CC(C)OCCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171501408 426191419 /nfs/dbraw/zinc/19/14/19/426191419.db2.gz JETWDHJYBRFXOU-IRXDYDNUSA-N 1 3 312.498 2.623 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](CN(C)C)c2ccccc2)CC1 ZINC000173722623 426246177 /nfs/dbraw/zinc/24/61/77/426246177.db2.gz QGRDTWYKIPPUEZ-SFHVURJKSA-N 1 3 317.477 2.526 20 0 DFADHO C(C[NH2+]C1CCN(C2CCCCC2)CC1)CO[C@H]1CCOC1 ZINC000119027889 426256615 /nfs/dbraw/zinc/25/66/15/426256615.db2.gz MJZNXCSPFLFOLB-SFHVURJKSA-N 1 3 310.482 2.569 20 0 DFADHO C(CNC1CC[NH+](C2CCCCC2)CC1)CO[C@H]1CCOC1 ZINC000119027889 426256620 /nfs/dbraw/zinc/25/66/20/426256620.db2.gz MJZNXCSPFLFOLB-SFHVURJKSA-N 1 3 310.482 2.569 20 0 DFADHO CCOc1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000150998893 426271925 /nfs/dbraw/zinc/27/19/25/426271925.db2.gz PHRKGLCETUVBCI-INIZCTEOSA-N 1 3 319.493 2.762 20 0 DFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](N)c1ccccc1 ZINC000119583644 426298852 /nfs/dbraw/zinc/29/88/52/426298852.db2.gz PETLTVKEKJJKBN-ROUUACIJSA-N 1 3 317.477 2.847 20 0 DFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](N)c1ccccc1 ZINC000119583644 426298854 /nfs/dbraw/zinc/29/88/54/426298854.db2.gz PETLTVKEKJJKBN-ROUUACIJSA-N 1 3 317.477 2.847 20 0 DFADHO C1CC1N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000119641227 426301024 /nfs/dbraw/zinc/30/10/24/426301024.db2.gz SMKZHKBCNDQNEQ-UHFFFAOYSA-N 1 3 305.510 3.000 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1nc2c(s1)CCCC2 ZINC000089667511 426301599 /nfs/dbraw/zinc/30/15/99/426301599.db2.gz OOKCQJOXKQSVPZ-VNHYZAJKSA-N 1 3 307.507 2.883 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1nc2c(s1)CCCC2 ZINC000089667511 426301601 /nfs/dbraw/zinc/30/16/01/426301601.db2.gz OOKCQJOXKQSVPZ-VNHYZAJKSA-N 1 3 307.507 2.883 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1cc(F)cc2c1OCOC2 ZINC000120696641 426313597 /nfs/dbraw/zinc/31/35/97/426313597.db2.gz QYYAUMOBJUNJOP-XNJGSVPQSA-N 1 3 322.424 2.553 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1cc(F)cc2c1OCOC2 ZINC000120696641 426313598 /nfs/dbraw/zinc/31/35/98/426313598.db2.gz QYYAUMOBJUNJOP-XNJGSVPQSA-N 1 3 322.424 2.553 20 0 DFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccccc2OC)CC1 ZINC000121213770 426326060 /nfs/dbraw/zinc/32/60/60/426326060.db2.gz YJBAUZDIIFDWEP-SJORKVTESA-N 1 3 319.493 2.619 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000152100747 426327061 /nfs/dbraw/zinc/32/70/61/426327061.db2.gz KELYJCMRHCTKGU-VQIMIIECSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000152100747 426327063 /nfs/dbraw/zinc/32/70/63/426327063.db2.gz KELYJCMRHCTKGU-VQIMIIECSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@H+]1CC[C@@H](NCc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000152100747 426327065 /nfs/dbraw/zinc/32/70/65/426327065.db2.gz KELYJCMRHCTKGU-VQIMIIECSA-N 1 3 312.461 2.751 20 0 DFADHO CCCN1CC[C@@H](C[NH2+]C2CCN(c3nc(C)cs3)CC2)C1 ZINC000151103567 426278432 /nfs/dbraw/zinc/27/84/32/426278432.db2.gz VZXFOQJSJUTBDO-HNNXBMFYSA-N 1 3 322.522 2.742 20 0 DFADHO CCCN1CC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000151121152 426280041 /nfs/dbraw/zinc/28/00/41/426280041.db2.gz FICLRTWBLXEOGW-KRWDZBQOSA-N 1 3 301.478 2.977 20 0 DFADHO C[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)N1CCCCCC1 ZINC000175166363 426284755 /nfs/dbraw/zinc/28/47/55/426284755.db2.gz BNLUGOQQKDJCGY-QGZVFWFLSA-N 1 3 321.509 2.585 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000122829615 426397730 /nfs/dbraw/zinc/39/77/30/426397730.db2.gz VZPLBBDPJQJQSF-KFWWJZLASA-N 1 3 313.486 2.608 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000122829615 426397734 /nfs/dbraw/zinc/39/77/34/426397734.db2.gz VZPLBBDPJQJQSF-KFWWJZLASA-N 1 3 313.486 2.608 20 0 DFADHO C[C@@H]1CCC[C@H](CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000092796435 426352137 /nfs/dbraw/zinc/35/21/37/426352137.db2.gz ZGAPTDHKWBDIKK-QYZOEREBSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1CCC[C@H](CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000092796435 426352140 /nfs/dbraw/zinc/35/21/40/426352140.db2.gz ZGAPTDHKWBDIKK-QYZOEREBSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H](Cn1cccn1)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000122335908 426369923 /nfs/dbraw/zinc/36/99/23/426369923.db2.gz NUQVTXYRVUUXQK-HNNXBMFYSA-N 1 3 318.490 2.835 20 0 DFADHO C[C@H]1C[C@H]([NH2+]CCCN2CCc3ccccc3C2)CCN1C ZINC000122758891 426391880 /nfs/dbraw/zinc/39/18/80/426391880.db2.gz GGOASSOBZMNHJR-QFBILLFUSA-N 1 3 301.478 2.507 20 0 DFADHO C[C@H](C(=O)N1CCCCCC1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123198335 426420057 /nfs/dbraw/zinc/42/00/57/426420057.db2.gz NJWKEIHMRSHMKC-QGZVFWFLSA-N 1 3 323.525 2.831 20 0 DFADHO CN(CCC[NH3+])CCC(=O)Nc1c(Cl)cccc1Cl ZINC000123289125 426424803 /nfs/dbraw/zinc/42/48/03/426424803.db2.gz LTCCPGWBVRNASJ-UHFFFAOYSA-N 1 3 304.221 2.603 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2c3ccccc3C[C@H]2C)CC1 ZINC000154258940 426432418 /nfs/dbraw/zinc/43/24/18/426432418.db2.gz NFLKWYABRCJFME-APWZRJJASA-N 1 3 301.478 2.537 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000154250875 426432434 /nfs/dbraw/zinc/43/24/34/426432434.db2.gz HWLDFSIBQGYYGI-KRWDZBQOSA-N 1 3 315.505 2.854 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000154258700 426432852 /nfs/dbraw/zinc/43/28/52/426432852.db2.gz NFLKWYABRCJFME-LPHOPBHVSA-N 1 3 301.478 2.537 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(C)cc2C)CC1 ZINC000154299084 426434684 /nfs/dbraw/zinc/43/46/84/426434684.db2.gz ACDDHCXTEXFWPM-GOSISDBHSA-N 1 3 303.494 2.982 20 0 DFADHO CC[C@H]1CCCCN1C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123533987 426438965 /nfs/dbraw/zinc/43/89/65/426438965.db2.gz TWSNSLZIPODXBP-SFHVURJKSA-N 1 3 323.525 2.831 20 0 DFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(-n2ccnc2)cc1 ZINC000177303721 426464966 /nfs/dbraw/zinc/46/49/66/426464966.db2.gz VUYXBQVEHUJOGR-MOPGFXCFSA-N 1 3 310.445 2.931 20 0 DFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(-n2ccnc2)cc1 ZINC000177303721 426464970 /nfs/dbraw/zinc/46/49/70/426464970.db2.gz VUYXBQVEHUJOGR-MOPGFXCFSA-N 1 3 310.445 2.931 20 0 DFADHO C[NH+]1CCC(NCCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000177340575 426470104 /nfs/dbraw/zinc/47/01/04/426470104.db2.gz FHMLKDQJRIPWQP-UHFFFAOYSA-N 1 3 320.824 2.616 20 0 DFADHO C[C@@H]1OCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272456125 426529936 /nfs/dbraw/zinc/52/99/36/426529936.db2.gz XCNQNKFNMJDUGX-GPFWEFOESA-N 1 3 300.446 2.949 20 0 DFADHO C[C@@H]1OCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272456125 426529942 /nfs/dbraw/zinc/52/99/42/426529942.db2.gz XCNQNKFNMJDUGX-GPFWEFOESA-N 1 3 300.446 2.949 20 0 DFADHO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000178116572 426574179 /nfs/dbraw/zinc/57/41/79/426574179.db2.gz OYQZLRNZCIGZMT-YJBOKZPZSA-N 1 3 308.466 2.685 20 0 DFADHO C[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)Cn1ccnc1 ZINC000178049999 426563291 /nfs/dbraw/zinc/56/32/91/426563291.db2.gz QYDFTWFEXWKRJD-MRXNPFEDSA-N 1 3 304.482 2.906 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1CN(C)C ZINC000273267842 426631609 /nfs/dbraw/zinc/63/16/09/426631609.db2.gz UQKNUQCKSCABPQ-AWEZNQCLSA-N 1 3 305.466 2.531 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1ccccc1Br ZINC000234751404 426658510 /nfs/dbraw/zinc/65/85/10/426658510.db2.gz WZIWVDPYRHCEKZ-VXGBXAGGSA-N 1 3 315.255 2.854 20 0 DFADHO C[C@H](CNC(=O)[C@H](C)[C@@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236724061 426680431 /nfs/dbraw/zinc/68/04/31/426680431.db2.gz FSLMCLLMOKPMIM-JFIYKMOQSA-N 1 3 317.477 2.559 20 0 DFADHO COC[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CCOCC1 ZINC000187893569 426704164 /nfs/dbraw/zinc/70/41/64/426704164.db2.gz SYXMBUZRZWDQJZ-IBGZPJMESA-N 1 3 324.509 2.672 20 0 DFADHO COC[C@H](NC1CC[NH+](CC2CCCC2)CC1)C1CCOCC1 ZINC000187893569 426704169 /nfs/dbraw/zinc/70/41/69/426704169.db2.gz SYXMBUZRZWDQJZ-IBGZPJMESA-N 1 3 324.509 2.672 20 0 DFADHO Cc1ccc([C@H](CNC(=O)[C@@H](N)C(C)(C)C)[NH+]2CCCC2)cc1 ZINC000237787610 426697653 /nfs/dbraw/zinc/69/76/53/426697653.db2.gz IPAZOZBTTLCCRB-DLBZAZTESA-N 1 3 317.477 2.622 20 0 DFADHO N[C@@H](CC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000178818234 426701388 /nfs/dbraw/zinc/70/13/88/426701388.db2.gz TZNZLJOSDXGNAF-SFHVURJKSA-N 1 3 315.461 2.553 20 0 DFADHO N[C@@H](CC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000178818234 426701394 /nfs/dbraw/zinc/70/13/94/426701394.db2.gz TZNZLJOSDXGNAF-SFHVURJKSA-N 1 3 315.461 2.553 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000179398826 426784447 /nfs/dbraw/zinc/78/44/47/426784447.db2.gz QFHHGBUVWAZJJA-SFHVURJKSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cncn1C ZINC000245985348 426788887 /nfs/dbraw/zinc/78/88/87/426788887.db2.gz DYYZCNVPYMTPPO-MNZLEMJZSA-N 1 3 312.461 2.666 20 0 DFADHO CCC[C@H](C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)N(C)C ZINC000274596556 426799875 /nfs/dbraw/zinc/79/98/75/426799875.db2.gz LNQNKAZEOHOXMK-OIISXLGYSA-N 1 3 305.466 2.524 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246165196 426805230 /nfs/dbraw/zinc/80/52/30/426805230.db2.gz AQGHLZZXSGASOA-NUJGCVRESA-N 1 3 315.461 2.916 20 0 DFADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282046550 426819209 /nfs/dbraw/zinc/81/92/09/426819209.db2.gz AWCAJFJHUJGHCP-HNNXBMFYSA-N 1 3 323.912 2.887 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000282056586 426821435 /nfs/dbraw/zinc/82/14/35/426821435.db2.gz MIDSZZJLPBAMIQ-GOSISDBHSA-N 1 3 313.489 2.998 20 0 DFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000246371160 426825790 /nfs/dbraw/zinc/82/57/90/426825790.db2.gz OABYRMVKAHSGPY-DOTOQJQBSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000246371160 426825795 /nfs/dbraw/zinc/82/57/95/426825795.db2.gz OABYRMVKAHSGPY-DOTOQJQBSA-N 1 3 317.477 2.703 20 0 DFADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2cccc(C)c2)CC1 ZINC000267144097 426830589 /nfs/dbraw/zinc/83/05/89/426830589.db2.gz AJXKYAZXQGPWQV-SFHVURJKSA-N 1 3 320.477 2.541 20 0 DFADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2cccc(C)c2)CC1 ZINC000267144097 426830594 /nfs/dbraw/zinc/83/05/94/426830594.db2.gz AJXKYAZXQGPWQV-SFHVURJKSA-N 1 3 320.477 2.541 20 0 DFADHO CC(C)(O)CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000274759824 426832106 /nfs/dbraw/zinc/83/21/06/426832106.db2.gz DFYIYGGFXMCYEK-FGTMMUONSA-N 1 3 302.462 2.648 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282124900 426833760 /nfs/dbraw/zinc/83/37/60/426833760.db2.gz AZKJWPGZWOBZRL-CRAIPNDOSA-N 1 3 301.478 2.536 20 0 DFADHO C[C@H](CC[NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000282167522 426844633 /nfs/dbraw/zinc/84/46/33/426844633.db2.gz DTAOSWWRIQQZCO-QGZVFWFLSA-N 1 3 303.494 2.796 20 0 DFADHO Cc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1C ZINC000282243956 426863228 /nfs/dbraw/zinc/86/32/28/426863228.db2.gz JENNUVKSNWTKNB-KRWDZBQOSA-N 1 3 303.494 2.980 20 0 DFADHO C[C@H](CC(N)=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000267289605 426864954 /nfs/dbraw/zinc/86/49/54/426864954.db2.gz XLYHCHZCHOPJRQ-OWCLPIDISA-N 1 3 317.477 2.518 20 0 DFADHO C[C@H](CC(N)=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000267289605 426864972 /nfs/dbraw/zinc/86/49/72/426864972.db2.gz XLYHCHZCHOPJRQ-OWCLPIDISA-N 1 3 317.477 2.518 20 0 DFADHO C[C@@H]1C[C@@H](NCc2ccc(OCCC[NH+](C)C)cc2)[C@H](C)O1 ZINC000295243586 426874787 /nfs/dbraw/zinc/87/47/87/426874787.db2.gz SXNOBZJZDISRQT-RVKKMQEKSA-N 1 3 306.450 2.673 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000291103454 426876831 /nfs/dbraw/zinc/87/68/31/426876831.db2.gz JPLQNVSGBBOWPD-RTBURBONSA-N 1 3 301.478 2.500 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000291103454 426876838 /nfs/dbraw/zinc/87/68/38/426876838.db2.gz JPLQNVSGBBOWPD-RTBURBONSA-N 1 3 301.478 2.500 20 0 DFADHO C[C@H]([NH2+]CC1(N(C)C)CCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000275626344 426884293 /nfs/dbraw/zinc/88/42/93/426884293.db2.gz AMDSKGAELZNUAF-PKOBYXMFSA-N 1 3 315.505 2.971 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1C ZINC000282404556 426903674 /nfs/dbraw/zinc/90/36/74/426903674.db2.gz RVHXULNMQMSWAL-MRXNPFEDSA-N 1 3 319.493 2.680 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1ccc(F)cc1)N(C)C ZINC000247177580 426910423 /nfs/dbraw/zinc/91/04/23/426910423.db2.gz VAOZAMPYGWQFCR-KJWYOANISA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1ccc(F)cc1)N(C)C ZINC000247177580 426910430 /nfs/dbraw/zinc/91/04/30/426910430.db2.gz VAOZAMPYGWQFCR-KJWYOANISA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000247177580 426910435 /nfs/dbraw/zinc/91/04/35/426910435.db2.gz VAOZAMPYGWQFCR-KJWYOANISA-N 1 3 307.457 2.747 20 0 DFADHO CCN1CCC[C@H]([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000247177147 426911329 /nfs/dbraw/zinc/91/13/29/426911329.db2.gz UXOCBZLTVJUFIE-AEFFLSMTSA-N 1 3 319.493 2.762 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000247150301 426911860 /nfs/dbraw/zinc/91/18/60/426911860.db2.gz SWAPUSNEEBBGRG-LPHOPBHVSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@@H+]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000247150301 426911864 /nfs/dbraw/zinc/91/18/64/426911864.db2.gz SWAPUSNEEBBGRG-LPHOPBHVSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@H+]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000247150301 426911869 /nfs/dbraw/zinc/91/18/69/426911869.db2.gz SWAPUSNEEBBGRG-LPHOPBHVSA-N 1 3 312.461 2.751 20 0 DFADHO COc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1OC(F)F ZINC000291676308 426948677 /nfs/dbraw/zinc/94/86/77/426948677.db2.gz HEJUQBSLIQKWGU-NSHDSACASA-N 1 3 302.365 2.584 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(C(=O)C(C)(C)C)CC1 ZINC000321967271 426971303 /nfs/dbraw/zinc/97/13/03/426971303.db2.gz NPYVBLHXVGVOEL-WBVHZDCISA-N 1 3 323.525 2.924 20 0 DFADHO CC(C)Cn1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000181781412 426980429 /nfs/dbraw/zinc/98/04/29/426980429.db2.gz JEUNYNNKCVSHLM-CALCHBBNSA-N 1 3 322.497 2.518 20 0 DFADHO CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000181904221 426991724 /nfs/dbraw/zinc/99/17/24/426991724.db2.gz NARICMOPAZOTLO-INIZCTEOSA-N 1 3 310.482 2.916 20 0 DFADHO CC(C)(C)OC(=O)CCCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000181904221 426991730 /nfs/dbraw/zinc/99/17/30/426991730.db2.gz NARICMOPAZOTLO-INIZCTEOSA-N 1 3 310.482 2.916 20 0 DFADHO C[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268372482 426999998 /nfs/dbraw/zinc/99/99/98/426999998.db2.gz SAHFYHMHOGTGRZ-WBVHZDCISA-N 1 3 301.478 2.963 20 0 DFADHO COc1ccccc1/C=C/CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000268407117 427008963 /nfs/dbraw/zinc/00/89/63/427008963.db2.gz GHJQOZCLGUIXQP-SOFGYWHQSA-N 1 3 318.461 2.533 20 0 DFADHO C[C@H]([NH2+]C1(CNC(=O)C2(N)CCC2)CCCC1)c1ccccc1 ZINC000295985393 427035773 /nfs/dbraw/zinc/03/57/73/427035773.db2.gz JVNQQRGWOHDBNE-HNNXBMFYSA-N 1 3 315.461 2.648 20 0 DFADHO CCC(CC)(CNC(=O)C1(N)CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000295989148 427039337 /nfs/dbraw/zinc/03/93/37/427039337.db2.gz KCFCONGJIKOEIZ-HNNXBMFYSA-N 1 3 317.477 2.894 20 0 DFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CCCC1 ZINC000182269496 427044998 /nfs/dbraw/zinc/04/49/98/427044998.db2.gz YSBSZJQPUZGYJH-BEFAXECRSA-N 1 3 302.462 2.922 20 0 DFADHO Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@H]3CCCCN3C)C2)n1 ZINC000268563082 427053976 /nfs/dbraw/zinc/05/39/76/427053976.db2.gz POHGNDKYBAEOSN-ZWKOTPCHSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@H]3CCCCN3C)C2)n1 ZINC000268563082 427053985 /nfs/dbraw/zinc/05/39/85/427053985.db2.gz POHGNDKYBAEOSN-ZWKOTPCHSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1cccc(NC[C@@H]2CCN(CC[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000268563082 427053990 /nfs/dbraw/zinc/05/39/90/427053990.db2.gz POHGNDKYBAEOSN-ZWKOTPCHSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1cccc(NC[C@@H]2CCN(CC[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000268563082 427053997 /nfs/dbraw/zinc/05/39/97/427053997.db2.gz POHGNDKYBAEOSN-ZWKOTPCHSA-N 1 3 316.493 2.998 20 0 DFADHO C[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])N(C)Cc1ccccc1 ZINC000296108967 427079106 /nfs/dbraw/zinc/07/91/06/427079106.db2.gz SGCAPMGFBOHWGA-NJAFHUGGSA-N 1 3 317.477 2.531 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCOCC(F)(F)C(F)F)[C@@H](C)C1 ZINC000249290037 427103593 /nfs/dbraw/zinc/10/35/93/427103593.db2.gz MFZRKFDATTYEFK-RYUDHWBXSA-N 1 3 314.367 2.566 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCOCC(F)(F)C(F)F)[C@@H](C)C1 ZINC000249290037 427103599 /nfs/dbraw/zinc/10/35/99/427103599.db2.gz MFZRKFDATTYEFK-RYUDHWBXSA-N 1 3 314.367 2.566 20 0 DFADHO CC[NH+](CC)Cc1ccc(N[C@@H]2CCN(CCOC)C2)cc1 ZINC000276584414 427106315 /nfs/dbraw/zinc/10/63/15/427106315.db2.gz VMTKYMQCFJVVAK-GOSISDBHSA-N 1 3 305.466 2.661 20 0 DFADHO CCCOc1ccc(OCC[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292162807 427113834 /nfs/dbraw/zinc/11/38/34/427113834.db2.gz OSHTUOAOLKDTQX-LJQANCHMSA-N 1 3 318.461 2.882 20 0 DFADHO CCCOc1ccc(OCC[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292162807 427113842 /nfs/dbraw/zinc/11/38/42/427113842.db2.gz OSHTUOAOLKDTQX-LJQANCHMSA-N 1 3 318.461 2.882 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000268823648 427128278 /nfs/dbraw/zinc/12/82/78/427128278.db2.gz OSEJWTZHFRQRMO-CVEARBPZSA-N 1 3 317.477 2.533 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000268823648 427128285 /nfs/dbraw/zinc/12/82/85/427128285.db2.gz OSEJWTZHFRQRMO-CVEARBPZSA-N 1 3 317.477 2.533 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000268828871 427132487 /nfs/dbraw/zinc/13/24/87/427132487.db2.gz ZZYSDKHVUJMBHN-RDJZCZTQSA-N 1 3 306.450 2.532 20 0 DFADHO CC1CC[NH+](C[C@H]2CCCN(CCCn3ccnc3)C2)CC1 ZINC000182742662 427135702 /nfs/dbraw/zinc/13/57/02/427135702.db2.gz NJZHUYLEZOYDGO-SFHVURJKSA-N 1 3 304.482 2.717 20 0 DFADHO C[C@H](C(=O)NCc1ccccc1CN(C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000249737639 427140001 /nfs/dbraw/zinc/14/00/01/427140001.db2.gz GQOQFAROCPIVAU-BZUAXINKSA-N 1 3 317.477 2.626 20 0 DFADHO C[C@@H](CCCCO)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000296297927 427140186 /nfs/dbraw/zinc/14/01/86/427140186.db2.gz FULSVEBKMHDAQF-HOTGVXAUSA-N 1 3 308.466 2.829 20 0 DFADHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000338143708 427158778 /nfs/dbraw/zinc/15/87/78/427158778.db2.gz NRQOPHQZZXRCOA-SHRNQRGKSA-N 1 3 308.853 2.790 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1)C1CC1 ZINC000157953245 271071861 /nfs/dbraw/zinc/07/18/61/271071861.db2.gz LJMJGPWXVYJTMX-SJLPKXTDSA-N 1 3 315.461 2.528 20 0 DFADHO CN(C)Cc1cccc(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000164418512 271093551 /nfs/dbraw/zinc/09/35/51/271093551.db2.gz LTPIJYCCNBDIRO-QZTJIDSGSA-N 1 3 317.477 2.662 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000338170970 427168075 /nfs/dbraw/zinc/16/80/75/427168075.db2.gz BKRJRGXPWBVTSX-MAUKXSAKSA-N 1 3 317.477 2.741 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](CN)c1ccccc1)CC(C)C ZINC000236883282 271242466 /nfs/dbraw/zinc/24/24/66/271242466.db2.gz WAXLIQDENLVJOH-ZWKOTPCHSA-N 1 3 319.493 2.602 20 0 DFADHO CCN(C)c1ccc(CNCc2cccc(C[NH+](C)C)c2)cn1 ZINC000190728648 427170358 /nfs/dbraw/zinc/17/03/58/427170358.db2.gz KRBKNOYGPQHPGI-UHFFFAOYSA-N 1 3 312.461 2.889 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC000303394879 271364159 /nfs/dbraw/zinc/36/41/59/271364159.db2.gz XGRHAFKBAZGUTK-BTHPGYMESA-N 1 3 313.489 2.866 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC000303394879 271364162 /nfs/dbraw/zinc/36/41/62/271364162.db2.gz XGRHAFKBAZGUTK-BTHPGYMESA-N 1 3 313.489 2.866 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000338199956 427190105 /nfs/dbraw/zinc/19/01/05/427190105.db2.gz PBWCWEBWJQONBI-SUMWQHHRSA-N 1 3 323.431 2.568 20 0 DFADHO c1cn(CC[NH2+][C@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000183125717 427205576 /nfs/dbraw/zinc/20/55/76/427205576.db2.gz YDMPTQOCRNZBNN-AQNXPRMDSA-N 1 3 324.472 2.773 20 0 DFADHO C[C@H](CO)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183132038 427206855 /nfs/dbraw/zinc/20/68/55/427206855.db2.gz GGAVIIJAEMBEMR-DSLXNQLJSA-N 1 3 302.462 2.505 20 0 DFADHO C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000253545345 427215192 /nfs/dbraw/zinc/21/51/92/427215192.db2.gz OPCJRHCYFFSIPJ-MHORFTMASA-N 1 3 321.509 2.582 20 0 DFADHO CC(=O)Nc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000285475721 427242962 /nfs/dbraw/zinc/24/29/62/427242962.db2.gz KUUTYRRWCZXUQS-JWTNVVGKSA-N 1 3 301.434 2.702 20 0 DFADHO CC(=O)Nc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000285475721 427242965 /nfs/dbraw/zinc/24/29/65/427242965.db2.gz KUUTYRRWCZXUQS-JWTNVVGKSA-N 1 3 301.434 2.702 20 0 DFADHO CN(CCC(=O)Nc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285556991 427271013 /nfs/dbraw/zinc/27/10/13/427271013.db2.gz RHVKHVPLUAJZNV-SJPCQFCGSA-N 1 3 319.424 2.711 20 0 DFADHO CN(CCC(=O)Nc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285556991 427271019 /nfs/dbraw/zinc/27/10/19/427271019.db2.gz RHVKHVPLUAJZNV-SJPCQFCGSA-N 1 3 319.424 2.711 20 0 DFADHO COc1cccc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000285594399 427283141 /nfs/dbraw/zinc/28/31/41/427283141.db2.gz USRXFMDASRECIU-XYPWUTKMSA-N 1 3 304.434 2.631 20 0 DFADHO COc1cccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000285594399 427283146 /nfs/dbraw/zinc/28/31/46/427283146.db2.gz USRXFMDASRECIU-XYPWUTKMSA-N 1 3 304.434 2.631 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000262179401 427353006 /nfs/dbraw/zinc/35/30/06/427353006.db2.gz RTAWEYJQIXRRMW-QAPCUYQASA-N 1 3 317.477 2.805 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000262179401 427353013 /nfs/dbraw/zinc/35/30/13/427353013.db2.gz RTAWEYJQIXRRMW-QAPCUYQASA-N 1 3 317.477 2.805 20 0 DFADHO C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261722178 427338817 /nfs/dbraw/zinc/33/88/17/427338817.db2.gz GBEPZGAFMYCOBV-PKOBYXMFSA-N 1 3 301.478 2.582 20 0 DFADHO CCCc1ccc2[nH+]ccc(NC[C@@H]3CN(C)CCN3C)c2c1 ZINC000296982361 427293835 /nfs/dbraw/zinc/29/38/35/427293835.db2.gz DVXVZDLNHVBPOS-MRXNPFEDSA-N 1 3 312.461 2.845 20 0 DFADHO CCCc1ccc2[nH+]ccc(NC[C@H]3CN(C)CCN3C)c2c1 ZINC000296982346 427295784 /nfs/dbraw/zinc/29/57/84/427295784.db2.gz DVXVZDLNHVBPOS-INIZCTEOSA-N 1 3 312.461 2.845 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1cc(C(F)(F)F)ccn1 ZINC000293626491 427386122 /nfs/dbraw/zinc/38/61/22/427386122.db2.gz GEKVDGLHCHSTAK-TYNCELHUSA-N 1 3 315.383 2.961 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1cc(C(F)(F)F)ccn1 ZINC000293626491 427386128 /nfs/dbraw/zinc/38/61/28/427386128.db2.gz GEKVDGLHCHSTAK-TYNCELHUSA-N 1 3 315.383 2.961 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000271049632 427389466 /nfs/dbraw/zinc/38/94/66/427389466.db2.gz WQBUBOKGMJUEEW-RBUKOAKNSA-N 1 3 302.462 2.744 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000271049632 427389472 /nfs/dbraw/zinc/38/94/72/427389472.db2.gz WQBUBOKGMJUEEW-RBUKOAKNSA-N 1 3 302.462 2.744 20 0 DFADHO CC(C)[C@@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CCO1 ZINC000297297771 427391087 /nfs/dbraw/zinc/39/10/87/427391087.db2.gz AXXAUHWIZXRMMK-AEFFLSMTSA-N 1 3 303.450 2.844 20 0 DFADHO CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000191655408 427398563 /nfs/dbraw/zinc/39/85/63/427398563.db2.gz KYBJVUJHGOXVDX-PTIUUAQKSA-N 1 3 302.462 2.910 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2cc(C(F)(F)F)ccn2)[C@@H](C)C1 ZINC000293720763 427414232 /nfs/dbraw/zinc/41/42/32/427414232.db2.gz NQOPCOMYFMDEJW-SWLSCSKDSA-N 1 3 315.383 2.963 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2cc(C(F)(F)F)ccn2)[C@@H](C)C1 ZINC000293720763 427414237 /nfs/dbraw/zinc/41/42/37/427414237.db2.gz NQOPCOMYFMDEJW-SWLSCSKDSA-N 1 3 315.383 2.963 20 0 DFADHO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000270428585 427357109 /nfs/dbraw/zinc/35/71/09/427357109.db2.gz HLWBJOHQNQFSCO-GOSISDBHSA-N 1 3 316.445 2.637 20 0 DFADHO COC(=O)c1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000270428585 427357114 /nfs/dbraw/zinc/35/71/14/427357114.db2.gz HLWBJOHQNQFSCO-GOSISDBHSA-N 1 3 316.445 2.637 20 0 DFADHO Cc1ccnc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000286207841 427454471 /nfs/dbraw/zinc/45/44/71/427454471.db2.gz RXLIYWKRAWNWJN-IXDOHACOSA-N 1 3 305.466 2.930 20 0 DFADHO Cc1nccn1C[C@@H]1CCCN1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000271249984 427468987 /nfs/dbraw/zinc/46/89/87/427468987.db2.gz DRCHMUDSUGOUSH-VQTJNVASSA-N 1 3 324.472 2.930 20 0 DFADHO Cc1nccn1C[C@@H]1CCCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271249984 427468994 /nfs/dbraw/zinc/46/89/94/427468994.db2.gz DRCHMUDSUGOUSH-VQTJNVASSA-N 1 3 324.472 2.930 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCC(=O)NC3(C)C)CC2)C1 ZINC000338774905 427480361 /nfs/dbraw/zinc/48/03/61/427480361.db2.gz LQGZNRBLUHFJLB-DJIMGWMZSA-N 1 3 321.509 2.676 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCC(=O)NC3(C)C)CC2)C1 ZINC000338774905 427480366 /nfs/dbraw/zinc/48/03/66/427480366.db2.gz LQGZNRBLUHFJLB-DJIMGWMZSA-N 1 3 321.509 2.676 20 0 DFADHO CC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000293901326 427482862 /nfs/dbraw/zinc/48/28/62/427482862.db2.gz ZPUCCHXTVMXAMY-FCGDIQPGSA-N 1 3 302.462 2.648 20 0 DFADHO CN(C)Cc1cccc(CNC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000184222058 427420904 /nfs/dbraw/zinc/42/09/04/427420904.db2.gz BHQCHZPKRCMHKS-UHFFFAOYSA-N 1 3 317.477 2.664 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CSC2(C)C)[C@H](C)C1 ZINC000338785129 427486942 /nfs/dbraw/zinc/48/69/42/427486942.db2.gz JMDLNFFNCCXSDA-QLFBSQMISA-N 1 3 300.512 2.607 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CSC2(C)C)[C@H](C)C1 ZINC000338785129 427486948 /nfs/dbraw/zinc/48/69/48/427486948.db2.gz JMDLNFFNCCXSDA-QLFBSQMISA-N 1 3 300.512 2.607 20 0 DFADHO C[C@@H]1C[C@@H]1c1ccc(CNCCCC[N@@H+]2CCC[C@H]2CO)o1 ZINC000263164675 427426833 /nfs/dbraw/zinc/42/68/33/427426833.db2.gz PSLRVUXBDZFGFO-VYDXJSESSA-N 1 3 306.450 2.730 20 0 DFADHO C[C@@H]1C[C@@H]1c1ccc(CNCCCC[N@H+]2CCC[C@H]2CO)o1 ZINC000263164675 427426844 /nfs/dbraw/zinc/42/68/44/427426844.db2.gz PSLRVUXBDZFGFO-VYDXJSESSA-N 1 3 306.450 2.730 20 0 DFADHO CC[NH+](CC)CCCN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000191818240 427432643 /nfs/dbraw/zinc/43/26/43/427432643.db2.gz HQHGTPBOVXKEBS-OAHLLOKOSA-N 1 3 305.470 2.593 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCN(c2ccnc3ccccc32)CC1 ZINC000297714269 427435904 /nfs/dbraw/zinc/43/59/04/427435904.db2.gz RFUAXUWWFSASGY-KRWDZBQOSA-N 1 3 324.472 2.841 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCN(c2ccnc3ccccc32)CC1 ZINC000297714269 427435912 /nfs/dbraw/zinc/43/59/12/427435912.db2.gz RFUAXUWWFSASGY-KRWDZBQOSA-N 1 3 324.472 2.841 20 0 DFADHO CC(C)[C@H](O)C(C)(C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297740270 427440783 /nfs/dbraw/zinc/44/07/83/427440783.db2.gz SYEUHWOODMENRN-KRWDZBQOSA-N 1 3 305.466 2.683 20 0 DFADHO O[C@@H](CC[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298006784 427502772 /nfs/dbraw/zinc/50/27/72/427502772.db2.gz BRAORUAKMBWEIO-IBGZPJMESA-N 1 3 311.429 2.764 20 0 DFADHO C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CCCC1 ZINC000184687320 427517970 /nfs/dbraw/zinc/51/79/70/427517970.db2.gz IORBWWDVFIKCBP-MAUKXSAKSA-N 1 3 317.477 2.574 20 0 DFADHO C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CCCC1 ZINC000184687298 427518203 /nfs/dbraw/zinc/51/82/03/427518203.db2.gz IORBWWDVFIKCBP-QAPCUYQASA-N 1 3 317.477 2.574 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000271430163 427535014 /nfs/dbraw/zinc/53/50/14/427535014.db2.gz DJJZIPFJGSNUJK-CVEARBPZSA-N 1 3 316.449 2.563 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+][C@H]3CCOC3(C)C)cc2)CC1 ZINC000294088752 427544564 /nfs/dbraw/zinc/54/45/64/427544564.db2.gz IUPBSOGEFGKUBF-SFHVURJKSA-N 1 3 318.461 2.817 20 0 DFADHO OCC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000294093343 427546854 /nfs/dbraw/zinc/54/68/54/427546854.db2.gz BJMHTGOARCWETN-LJQANCHMSA-N 1 3 311.429 2.764 20 0 DFADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cccnc1 ZINC000271488653 427557810 /nfs/dbraw/zinc/55/78/10/427557810.db2.gz KEEXELJQVPMDFI-JCGIZDLHSA-N 1 3 303.450 2.500 20 0 DFADHO COc1cccc(CC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298313316 427566503 /nfs/dbraw/zinc/56/65/03/427566503.db2.gz HYAVLYIYUDNXOR-UHFFFAOYSA-N 1 3 311.429 2.891 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000192665578 427581758 /nfs/dbraw/zinc/58/17/58/427581758.db2.gz RIDJLFBTHBVPCV-LJQANCHMSA-N 1 3 316.493 2.551 20 0 DFADHO Cc1ccc(CN(C)C[C@@H]2CC[N@H+](C)C2)c(-c2ccnn2C)c1 ZINC000338951001 427586207 /nfs/dbraw/zinc/58/62/07/427586207.db2.gz BVTVBXTUMINOAE-MRXNPFEDSA-N 1 3 312.461 2.779 20 0 DFADHO Cc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)C2)c(-c2ccnn2C)c1 ZINC000338951001 427586213 /nfs/dbraw/zinc/58/62/13/427586213.db2.gz BVTVBXTUMINOAE-MRXNPFEDSA-N 1 3 312.461 2.779 20 0 DFADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc2c(c1)CC(=O)N2C ZINC000271826982 427589326 /nfs/dbraw/zinc/58/93/26/427589326.db2.gz OUXGGCPUQUOUSA-YOEHRIQHSA-N 1 3 315.461 2.731 20 0 DFADHO c1nn2ccccc2c1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192928261 427635281 /nfs/dbraw/zinc/63/52/81/427635281.db2.gz LAWSXPSMKKPDFU-SFHVURJKSA-N 1 3 320.440 2.946 20 0 DFADHO COc1ccccc1C1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339068589 427657475 /nfs/dbraw/zinc/65/74/75/427657475.db2.gz RMIKZEVFRQBBKL-HOTGVXAUSA-N 1 3 300.446 2.943 20 0 DFADHO COc1ccccc1C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339068589 427657480 /nfs/dbraw/zinc/65/74/80/427657480.db2.gz RMIKZEVFRQBBKL-HOTGVXAUSA-N 1 3 300.446 2.943 20 0 DFADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccncc2OCCN(C)C)C[C@H]1C ZINC000342427326 272011255 /nfs/dbraw/zinc/01/12/55/272011255.db2.gz MILWBCBADRMQPV-BFYDXBDKSA-N 1 3 305.466 2.936 20 0 DFADHO CC[NH+]1CCC(CCNCc2cnc(C(C)(C)C)nc2)CC1 ZINC000342777857 272053077 /nfs/dbraw/zinc/05/30/77/272053077.db2.gz MTWVUZUEULQAOY-UHFFFAOYSA-N 1 3 304.482 2.986 20 0 DFADHO C[C@@H]1C[N@H+](C)C[C@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000342902703 272065171 /nfs/dbraw/zinc/06/51/71/272065171.db2.gz PFDIXGWKALXHFR-RHSMWYFYSA-N 1 3 305.491 2.597 20 0 DFADHO C[C@@H]1C[N@@H+](C)C[C@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000342902703 272065174 /nfs/dbraw/zinc/06/51/74/272065174.db2.gz PFDIXGWKALXHFR-RHSMWYFYSA-N 1 3 305.491 2.597 20 0 DFADHO CC1CCC2(CC1)OC[C@@H](CNC1C[C@H]3CC[C@@H](C1)[N@H+]3C)O2 ZINC000193108169 427666445 /nfs/dbraw/zinc/66/64/45/427666445.db2.gz ONPAXNLXLQIWTH-LMKVIPCFSA-N 1 3 308.466 2.523 20 0 DFADHO CC1CCC2(CC1)OC[C@@H](CNC1C[C@H]3CC[C@@H](C1)[N@@H+]3C)O2 ZINC000193108169 427666452 /nfs/dbraw/zinc/66/64/52/427666452.db2.gz ONPAXNLXLQIWTH-LMKVIPCFSA-N 1 3 308.466 2.523 20 0 DFADHO c1ccc([C@@H]2OCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000343335248 272121061 /nfs/dbraw/zinc/12/10/61/272121061.db2.gz HWUKPECPGOSWPY-YRXWBPOGSA-N 1 3 300.446 2.981 20 0 DFADHO c1ccc([C@@H]2OCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000343335248 272121063 /nfs/dbraw/zinc/12/10/63/272121063.db2.gz HWUKPECPGOSWPY-YRXWBPOGSA-N 1 3 300.446 2.981 20 0 DFADHO Cc1nn(C)cc1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272239851 427681771 /nfs/dbraw/zinc/68/17/71/427681771.db2.gz WIEWOADNOFKVLG-YJBOKZPZSA-N 1 3 312.461 2.729 20 0 DFADHO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343888289 272231889 /nfs/dbraw/zinc/23/18/89/272231889.db2.gz OWVGMMHJUNTLJL-JTDSTZFVSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343888289 272231890 /nfs/dbraw/zinc/23/18/90/272231890.db2.gz OWVGMMHJUNTLJL-JTDSTZFVSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343921976 272238185 /nfs/dbraw/zinc/23/81/85/272238185.db2.gz JQDOKTPKIWYFHI-GPMSIDNRSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@H](c1ccccc1F)[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343921976 272238186 /nfs/dbraw/zinc/23/81/86/272238186.db2.gz JQDOKTPKIWYFHI-GPMSIDNRSA-N 1 3 319.468 2.845 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000343982070 272246202 /nfs/dbraw/zinc/24/62/02/272246202.db2.gz KTBGUTXHEDQGCO-CVEARBPZSA-N 1 3 305.466 2.936 20 0 DFADHO C[C@@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)N1CCCCCC1 ZINC000344027207 272251659 /nfs/dbraw/zinc/25/16/59/272251659.db2.gz DOWXYDBREICHOR-ZIFCJYIRSA-N 1 3 323.525 2.878 20 0 DFADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C12CCC2 ZINC000344045747 272252483 /nfs/dbraw/zinc/25/24/83/272252483.db2.gz GSDDCPCHXPZHCS-HSFUPAIVSA-N 1 3 324.509 2.669 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344095569 272262279 /nfs/dbraw/zinc/26/22/79/272262279.db2.gz GNRHRFCZAOGTDZ-LJQANCHMSA-N 1 3 319.468 2.820 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000344106986 272265111 /nfs/dbraw/zinc/26/51/11/272265111.db2.gz UREJQYKVWZPOLP-DLBZAZTESA-N 1 3 303.450 2.690 20 0 DFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(F)cc1 ZINC000344121294 272267664 /nfs/dbraw/zinc/26/76/64/272267664.db2.gz DXRVCBCKBYTYKO-UHFFFAOYSA-N 1 3 307.457 2.675 20 0 DFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(F)cc1 ZINC000344121294 272267666 /nfs/dbraw/zinc/26/76/66/272267666.db2.gz DXRVCBCKBYTYKO-UHFFFAOYSA-N 1 3 307.457 2.675 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171404 272280068 /nfs/dbraw/zinc/28/00/68/272280068.db2.gz RVTYITIDCQMCGX-RTBURBONSA-N 1 3 320.452 2.537 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171404 272280069 /nfs/dbraw/zinc/28/00/69/272280069.db2.gz RVTYITIDCQMCGX-RTBURBONSA-N 1 3 320.452 2.537 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)N1CCCCCC1 ZINC000344177968 272280275 /nfs/dbraw/zinc/28/02/75/272280275.db2.gz UEQLLKCPJJISPN-IRXDYDNUSA-N 1 3 311.514 2.878 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000287921915 427716112 /nfs/dbraw/zinc/71/61/12/427716112.db2.gz WDEJOYGGUMWLPD-COXVUDFISA-N 1 3 310.869 2.658 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000287921915 427716115 /nfs/dbraw/zinc/71/61/15/427716115.db2.gz WDEJOYGGUMWLPD-COXVUDFISA-N 1 3 310.869 2.658 20 0 DFADHO Cc1nccn1CCCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336854738 427761056 /nfs/dbraw/zinc/76/10/56/427761056.db2.gz FXYIKQVZPOFKCT-GOSISDBHSA-N 1 3 304.482 2.635 20 0 DFADHO Cc1nccn1CCCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336854738 427761058 /nfs/dbraw/zinc/76/10/58/427761058.db2.gz FXYIKQVZPOFKCT-GOSISDBHSA-N 1 3 304.482 2.635 20 0 DFADHO c1ccc(CN2C[C@H](C[NH2+]CC3CC3)C3(C2)CCOCC3)cc1 ZINC000339487474 427782920 /nfs/dbraw/zinc/78/29/20/427782920.db2.gz HIRKHMITDTYORB-IBGZPJMESA-N 1 3 314.473 2.915 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336656327 427745475 /nfs/dbraw/zinc/74/54/75/427745475.db2.gz MAAGTHUAWMUGNF-YTQUADARSA-N 1 3 313.489 2.723 20 0 DFADHO C[C@H](N[C@@H]1CCN(C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336656327 427745478 /nfs/dbraw/zinc/74/54/78/427745478.db2.gz MAAGTHUAWMUGNF-YTQUADARSA-N 1 3 313.489 2.723 20 0 DFADHO C[C@H](N[C@@H]1CCN(C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656327 427745481 /nfs/dbraw/zinc/74/54/81/427745481.db2.gz MAAGTHUAWMUGNF-YTQUADARSA-N 1 3 313.489 2.723 20 0 DFADHO c1ccc(C[N@H+]2CC[C@H]3CN(CCOCC4CC4)C[C@@H]3C2)cc1 ZINC000336713815 427748765 /nfs/dbraw/zinc/74/87/65/427748765.db2.gz NRZVKIUZBOWVJX-PMACEKPBSA-N 1 3 314.473 2.867 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@H]3CN(CCOCC4CC4)C[C@@H]3C2)cc1 ZINC000336713815 427748766 /nfs/dbraw/zinc/74/87/66/427748766.db2.gz NRZVKIUZBOWVJX-PMACEKPBSA-N 1 3 314.473 2.867 20 0 DFADHO Cc1cc(Cl)cc(CNCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000339296221 427753320 /nfs/dbraw/zinc/75/33/20/427753320.db2.gz BBBFHUOAQQMNIQ-UHFFFAOYSA-N 1 3 310.869 2.973 20 0 DFADHO CCc1cc(N2CCN(C[C@H](C)O)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301802687 427825329 /nfs/dbraw/zinc/82/53/29/427825329.db2.gz UAKOTIYPPOLMQP-GJZGRUSLSA-N 1 3 313.445 2.689 20 0 DFADHO Cc1cc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)c(C)o1 ZINC000337318454 427840961 /nfs/dbraw/zinc/84/09/61/427840961.db2.gz MQUOVDHCOXFDIV-INIZCTEOSA-N 1 3 307.482 2.963 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](CC(F)(F)F)C2)CC1 ZINC000337353550 427860810 /nfs/dbraw/zinc/86/08/10/427860810.db2.gz AIHPSYVAIMWABY-OAHLLOKOSA-N 1 3 321.431 2.677 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](CC(F)(F)F)C2)CC1 ZINC000337353550 427860816 /nfs/dbraw/zinc/86/08/16/427860816.db2.gz AIHPSYVAIMWABY-OAHLLOKOSA-N 1 3 321.431 2.677 20 0 DFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)N(CC)CC ZINC000345817297 427917995 /nfs/dbraw/zinc/91/79/95/427917995.db2.gz XRSXZZPMSLHDKU-KRWDZBQOSA-N 1 3 311.514 2.830 20 0 DFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)N(CC)CC ZINC000345817297 427917999 /nfs/dbraw/zinc/91/79/99/427917999.db2.gz XRSXZZPMSLHDKU-KRWDZBQOSA-N 1 3 311.514 2.830 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC000337469174 427920583 /nfs/dbraw/zinc/92/05/83/427920583.db2.gz OPIRZWUTSFKONL-CABCVRRESA-N 1 3 321.431 2.675 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC000337469174 427920587 /nfs/dbraw/zinc/92/05/87/427920587.db2.gz OPIRZWUTSFKONL-CABCVRRESA-N 1 3 321.431 2.675 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)CCCC(F)(F)F)CC1 ZINC000359670249 427965435 /nfs/dbraw/zinc/96/54/35/427965435.db2.gz DJAFNAYNNFUNJH-CQSZACIVSA-N 1 3 309.420 2.725 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000359667054 427965606 /nfs/dbraw/zinc/96/56/06/427965606.db2.gz SHSXDPLVNBCVIR-QGZVFWFLSA-N 1 3 309.498 2.585 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000359667054 427965609 /nfs/dbraw/zinc/96/56/09/427965609.db2.gz SHSXDPLVNBCVIR-QGZVFWFLSA-N 1 3 309.498 2.585 20 0 DFADHO CC(C)N1CCC([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000376692366 427979401 /nfs/dbraw/zinc/97/94/01/427979401.db2.gz XPAGMVCHJFIBMN-HKUYNNGSSA-N 1 3 316.493 2.537 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)[C@@H]1Oc1ccccc1 ZINC000359716201 427986148 /nfs/dbraw/zinc/98/61/48/427986148.db2.gz MLKALXCMCJVTCK-OTWHNJEPSA-N 1 3 318.461 2.687 20 0 DFADHO CCN(CC)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000376729561 427987055 /nfs/dbraw/zinc/98/70/55/427987055.db2.gz QXVYENAMEIFHET-IEBWSBKVSA-N 1 3 317.477 2.528 20 0 DFADHO CCN(CC)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000376729561 427987062 /nfs/dbraw/zinc/98/70/62/427987062.db2.gz QXVYENAMEIFHET-IEBWSBKVSA-N 1 3 317.477 2.528 20 0 DFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1)N(C)C ZINC000376728263 427987943 /nfs/dbraw/zinc/98/79/43/427987943.db2.gz JIBBHQPJDLXZBG-FGTMMUONSA-N 1 3 317.477 2.526 20 0 DFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1)N(C)C ZINC000376728263 427987949 /nfs/dbraw/zinc/98/79/49/427987949.db2.gz JIBBHQPJDLXZBG-FGTMMUONSA-N 1 3 317.477 2.526 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+]CC3=CCCOC3)cc2)CC1 ZINC000376727799 427988615 /nfs/dbraw/zinc/98/86/15/427988615.db2.gz GPJFQJPMBFOLKS-UHFFFAOYSA-N 1 3 316.445 2.596 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](c1ccco1)N1CCCCC1 ZINC000359603378 427932148 /nfs/dbraw/zinc/93/21/48/427932148.db2.gz VZIVIHLKNRMCBJ-IXDOHACOSA-N 1 3 305.466 2.736 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](c1ccco1)N1CCCCC1 ZINC000359603378 427932149 /nfs/dbraw/zinc/93/21/49/427932149.db2.gz VZIVIHLKNRMCBJ-IXDOHACOSA-N 1 3 305.466 2.736 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000359603378 427932154 /nfs/dbraw/zinc/93/21/54/427932154.db2.gz VZIVIHLKNRMCBJ-IXDOHACOSA-N 1 3 305.466 2.736 20 0 DFADHO C[N@H+](CCCO)C1CCN(C[C@@H]2CCc3ccccc3C2)CC1 ZINC000359612348 427936941 /nfs/dbraw/zinc/93/69/41/427936941.db2.gz REMXHGYAXVKQEM-QGZVFWFLSA-N 1 3 316.489 2.570 20 0 DFADHO C[N@@H+](CCCO)C1CCN(C[C@@H]2CCc3ccccc3C2)CC1 ZINC000359612348 427936945 /nfs/dbraw/zinc/93/69/45/427936945.db2.gz REMXHGYAXVKQEM-QGZVFWFLSA-N 1 3 316.489 2.570 20 0 DFADHO CC[N@H+](CCC1CCN(Cc2cnn(C)c2)CC1)CC1CC1 ZINC000355901335 427941810 /nfs/dbraw/zinc/94/18/10/427941810.db2.gz MCTKNVJSUXFGOT-UHFFFAOYSA-N 1 3 304.482 2.754 20 0 DFADHO CC[N@@H+](CCC1CCN(Cc2cnn(C)c2)CC1)CC1CC1 ZINC000355901335 427941816 /nfs/dbraw/zinc/94/18/16/427941816.db2.gz MCTKNVJSUXFGOT-UHFFFAOYSA-N 1 3 304.482 2.754 20 0 DFADHO CCc1cc(OC)ccc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000337545477 427952951 /nfs/dbraw/zinc/95/29/51/427952951.db2.gz LGFFQNHJNUJCQA-UHFFFAOYSA-N 1 3 320.477 2.800 20 0 DFADHO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCN(C)Cc1ccc(F)cc1 ZINC000359850522 428047107 /nfs/dbraw/zinc/04/71/07/428047107.db2.gz AUHNPRRQXGMPGH-APWZRJJASA-N 1 3 319.468 2.816 20 0 DFADHO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCN(C)Cc1ccc(F)cc1 ZINC000359850522 428047109 /nfs/dbraw/zinc/04/71/09/428047109.db2.gz AUHNPRRQXGMPGH-APWZRJJASA-N 1 3 319.468 2.816 20 0 DFADHO CC(C)[NH+](CCN(C)C(=O)[C@@H](C)N1CCCCCC1)C(C)C ZINC000356177641 428054565 /nfs/dbraw/zinc/05/45/65/428054565.db2.gz PEKPEKSIESOSHH-QGZVFWFLSA-N 1 3 311.514 2.828 20 0 DFADHO C[C@@H]1C[N@H+](C/C=C/c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000369767851 428056739 /nfs/dbraw/zinc/05/67/39/428056739.db2.gz UWYJDVFHZKYBDF-NTFMERETSA-N 1 3 313.489 2.658 20 0 DFADHO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000369767851 428056745 /nfs/dbraw/zinc/05/67/45/428056745.db2.gz UWYJDVFHZKYBDF-NTFMERETSA-N 1 3 313.489 2.658 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000346186094 428056830 /nfs/dbraw/zinc/05/68/30/428056830.db2.gz HHXFKNBCIAHBAF-JKSUJKDBSA-N 1 3 317.481 2.736 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000346186094 428056835 /nfs/dbraw/zinc/05/68/35/428056835.db2.gz HHXFKNBCIAHBAF-JKSUJKDBSA-N 1 3 317.481 2.736 20 0 DFADHO c1ccc(C[N@H+]2CCC[C@@H](CNCC3=CCCOC3)C2)cc1 ZINC000359991333 428107560 /nfs/dbraw/zinc/10/75/60/428107560.db2.gz DHIKHBAJFAZJDS-SFHVURJKSA-N 1 3 300.446 2.835 20 0 DFADHO c1ccc(C[N@@H+]2CCC[C@@H](CNCC3=CCCOC3)C2)cc1 ZINC000359991333 428107564 /nfs/dbraw/zinc/10/75/64/428107564.db2.gz DHIKHBAJFAZJDS-SFHVURJKSA-N 1 3 300.446 2.835 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)c1 ZINC000370017838 428110732 /nfs/dbraw/zinc/11/07/32/428110732.db2.gz KYNJIHCJTCYRAH-RDJZCZTQSA-N 1 3 301.434 2.561 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)c1 ZINC000370017838 428110737 /nfs/dbraw/zinc/11/07/37/428110737.db2.gz KYNJIHCJTCYRAH-RDJZCZTQSA-N 1 3 301.434 2.561 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000351853928 428112181 /nfs/dbraw/zinc/11/21/81/428112181.db2.gz PRKPBSFVDZVJOD-DGCLKSJQSA-N 1 3 302.340 2.797 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000351859268 428113145 /nfs/dbraw/zinc/11/31/45/428113145.db2.gz GEDKBYKBFLLWJK-YJBOKZPZSA-N 1 3 311.429 2.830 20 0 DFADHO c1[nH]nc(-c2cccnc2)c1C[NH2+]C1CC(N2CCCCC2)C1 ZINC000370123378 428138404 /nfs/dbraw/zinc/13/84/04/428138404.db2.gz RYPRYVYXAKXYGB-UHFFFAOYSA-N 1 3 311.433 2.578 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000360077137 428148696 /nfs/dbraw/zinc/14/86/96/428148696.db2.gz XVILTEOMQWFNFJ-KRWDZBQOSA-N 1 3 311.514 2.689 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1C[C@H]1C ZINC000414114525 428211263 /nfs/dbraw/zinc/21/12/63/428211263.db2.gz LXCNNRRBKQUQGC-SPYBWZPUSA-N 1 3 302.462 2.777 20 0 DFADHO CC[NH+]1CCC(N[C@@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000352702516 428212936 /nfs/dbraw/zinc/21/29/36/428212936.db2.gz YGEPWBXIMRKJCR-LJQANCHMSA-N 1 3 315.461 2.554 20 0 DFADHO C[C@@H]1C[C@@H](C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000352713392 428216675 /nfs/dbraw/zinc/21/66/75/428216675.db2.gz DDRCBIPJYQQRNI-VXNCWWDNSA-N 1 3 324.509 2.623 20 0 DFADHO Cc1cc([C@H](C)NCC2(N3CCCCC3)CC[NH+](C)CC2)no1 ZINC000377807389 428233707 /nfs/dbraw/zinc/23/37/07/428233707.db2.gz QLMDYUGLQYOLQT-INIZCTEOSA-N 1 3 320.481 2.584 20 0 DFADHO Cc1cc([C@H](C)NCC2([NH+]3CCCCC3)CCN(C)CC2)no1 ZINC000377807389 428233712 /nfs/dbraw/zinc/23/37/12/428233712.db2.gz QLMDYUGLQYOLQT-INIZCTEOSA-N 1 3 320.481 2.584 20 0 DFADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000377667710 428187977 /nfs/dbraw/zinc/18/79/77/428187977.db2.gz DOTHTAAMCWFKMA-FGTMMUONSA-N 1 3 305.441 2.645 20 0 DFADHO CC[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@H]1C[C@H]1C ZINC000414085398 428203511 /nfs/dbraw/zinc/20/35/11/428203511.db2.gz YLOKTYSHPNYGMS-JLSDUUJJSA-N 1 3 317.477 2.502 20 0 DFADHO Cc1nc2c(n1[C@@H]1CC[N@H+](CCN3CCCCC3)C1)CCCC2 ZINC000346523797 428203921 /nfs/dbraw/zinc/20/39/21/428203921.db2.gz FQDTZFFJMFIRHY-QGZVFWFLSA-N 1 3 316.493 2.803 20 0 DFADHO Cc1nc2c(n1[C@@H]1CC[N@@H+](CCN3CCCCC3)C1)CCCC2 ZINC000346523797 428203926 /nfs/dbraw/zinc/20/39/26/428203926.db2.gz FQDTZFFJMFIRHY-QGZVFWFLSA-N 1 3 316.493 2.803 20 0 DFADHO COCC[NH+]1CCC(NC/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352819532 428263796 /nfs/dbraw/zinc/26/37/96/428263796.db2.gz PMXKNFAMJDSBLC-IHWYPQMZSA-N 1 3 310.388 2.678 20 0 DFADHO [NH3+]CCCOC1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000346682595 428270210 /nfs/dbraw/zinc/27/02/10/428270210.db2.gz ODXXOGDHYLOYQX-UHFFFAOYSA-N 1 3 318.461 2.805 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cccnc1 ZINC000356692039 428275283 /nfs/dbraw/zinc/27/52/83/428275283.db2.gz HCCKAXAXRJTBNP-INIZCTEOSA-N 1 3 313.445 2.915 20 0 DFADHO c1ccc(C[N@H+]2CC[C@H](N3CCN(CCC4CC4)CC3)C2)cc1 ZINC000352881492 428292791 /nfs/dbraw/zinc/29/27/91/428292791.db2.gz ZRTNRKDOFYEDJG-FQEVSTJZSA-N 1 3 313.489 2.679 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(CCC4CC4)CC3)C2)cc1 ZINC000352881492 428292793 /nfs/dbraw/zinc/29/27/93/428292793.db2.gz ZRTNRKDOFYEDJG-FQEVSTJZSA-N 1 3 313.489 2.679 20 0 DFADHO Cc1nocc1CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000352890062 428297792 /nfs/dbraw/zinc/29/77/92/428297792.db2.gz ZOGNBNIRBIAVEN-UHFFFAOYSA-N 1 3 300.406 2.726 20 0 DFADHO C[NH+]1CCC([C@@H]2CCN(Cc3cnn(C(C)(C)C)c3)C2)CC1 ZINC000377886769 428255424 /nfs/dbraw/zinc/25/54/24/428255424.db2.gz AWACWJUCOMFXDW-QGZVFWFLSA-N 1 3 304.482 2.802 20 0 DFADHO CC1(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)COC1 ZINC000352815933 428259065 /nfs/dbraw/zinc/25/90/65/428259065.db2.gz MBOLMDXCIHZCJE-IBGZPJMESA-N 1 3 300.446 2.621 20 0 DFADHO CC1(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)COC1 ZINC000352815933 428259067 /nfs/dbraw/zinc/25/90/67/428259067.db2.gz MBOLMDXCIHZCJE-IBGZPJMESA-N 1 3 300.446 2.621 20 0 DFADHO COc1ccc(OCCCN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342152813 428325281 /nfs/dbraw/zinc/32/52/81/428325281.db2.gz YTBLABFXXBXGIE-BMGDILEWSA-N 1 3 304.434 2.523 20 0 DFADHO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000352972785 428330376 /nfs/dbraw/zinc/33/03/76/428330376.db2.gz YMWMHKZCAFYWJD-RAUXBKROSA-N 1 3 315.505 2.827 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346826744 428333567 /nfs/dbraw/zinc/33/35/67/428333567.db2.gz MNIFVNMOTYQVDD-JQHSSLGASA-N 1 3 310.445 2.944 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]12 ZINC000346827546 428334681 /nfs/dbraw/zinc/33/46/81/428334681.db2.gz SOAKCJRQDCHAEZ-DAXOMENPSA-N 1 3 316.836 2.899 20 0 DFADHO COC1(C)CCN(CC(C)C[NH+]2CCC(C)(OC)CC2)CC1 ZINC000342186637 428339387 /nfs/dbraw/zinc/33/93/87/428339387.db2.gz YNJQJDBLBHYNGY-UHFFFAOYSA-N 1 3 312.498 2.624 20 0 DFADHO C[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@H]1CCCOC1 ZINC000356857472 428339696 /nfs/dbraw/zinc/33/96/96/428339696.db2.gz XCEUJDIJXCNMAI-RDJZCZTQSA-N 1 3 306.450 2.532 20 0 DFADHO Cn1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2ccccc2)n1 ZINC000346838367 428340456 /nfs/dbraw/zinc/34/04/56/428340456.db2.gz XBGVGBWUUKMSQP-SZMVWBNQSA-N 1 3 310.445 2.646 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@@H]12 ZINC000346843139 428341730 /nfs/dbraw/zinc/34/17/30/428341730.db2.gz XFQQMZIWVWNRDO-DAXOMENPSA-N 1 3 316.836 2.899 20 0 DFADHO CN(C)Cc1ccccc1C(=O)NCCCCC[NH+]1CCCC1 ZINC000357104109 428389313 /nfs/dbraw/zinc/38/93/13/428389313.db2.gz VULUWINXTWQDNA-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO c1nn(-c2ccccc2)cc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774044 428402215 /nfs/dbraw/zinc/40/22/15/428402215.db2.gz FCWZPWGANTXAHT-ROUUACIJSA-N 1 3 310.445 2.694 20 0 DFADHO CCN(CC)c1ncc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414778565 428403252 /nfs/dbraw/zinc/40/32/52/428403252.db2.gz JCMGGNQXVUGYGD-HUUCEWRRSA-N 1 3 322.522 2.811 20 0 DFADHO FC(F)(F)c1ccn(-c2ccc(C[NH2+]C3CCNCC3)cc2)n1 ZINC000414781228 428404504 /nfs/dbraw/zinc/40/45/04/428404504.db2.gz BTVGDTKAJWGRAG-UHFFFAOYSA-N 1 3 324.350 2.733 20 0 DFADHO c1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n(-c2ccccc2)n1 ZINC000414783143 428407196 /nfs/dbraw/zinc/40/71/96/428407196.db2.gz PKCWOJIVEWNVJM-IAGOWNOFSA-N 1 3 310.445 2.694 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC1CC[NH2+]CC1 ZINC000414784527 428407651 /nfs/dbraw/zinc/40/76/51/428407651.db2.gz SNRBQCKBOLOTTA-GFCCVEGCSA-N 1 3 309.841 2.707 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C1CCNCC1 ZINC000414784527 428407655 /nfs/dbraw/zinc/40/76/55/428407655.db2.gz SNRBQCKBOLOTTA-GFCCVEGCSA-N 1 3 309.841 2.707 20 0 DFADHO CC(C)Oc1cccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000414788662 428410299 /nfs/dbraw/zinc/41/02/99/428410299.db2.gz NCTURDWLHSITIM-MOPGFXCFSA-N 1 3 318.461 2.802 20 0 DFADHO c1c(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000414789967 428410312 /nfs/dbraw/zinc/41/03/12/428410312.db2.gz ZCTUKYDKRXJXPW-SJORKVTESA-N 1 3 310.445 2.898 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(OCC(F)(F)F)cc1 ZINC000414786019 428410777 /nfs/dbraw/zinc/41/07/77/428410777.db2.gz APWIMKWASHMULO-JSGCOSHPSA-N 1 3 302.340 2.845 20 0 DFADHO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000414796646 428413084 /nfs/dbraw/zinc/41/30/84/428413084.db2.gz HXHAVLAZYOYHSQ-JJRVBVJISA-N 1 3 319.449 2.519 20 0 DFADHO COc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414796646 428413089 /nfs/dbraw/zinc/41/30/89/428413089.db2.gz HXHAVLAZYOYHSQ-JJRVBVJISA-N 1 3 319.449 2.519 20 0 DFADHO CCCOc1cccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414794689 428413118 /nfs/dbraw/zinc/41/31/18/428413118.db2.gz VQOQAXURKWYBAM-QGZVFWFLSA-N 1 3 318.461 2.663 20 0 DFADHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCN(C)C[C@H]2C)cc1F ZINC000360589407 428358907 /nfs/dbraw/zinc/35/89/07/428358907.db2.gz QRZYTUGJMUIWPO-CXAGYDPISA-N 1 3 316.424 2.750 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1F ZINC000360589407 428358913 /nfs/dbraw/zinc/35/89/13/428358913.db2.gz QRZYTUGJMUIWPO-CXAGYDPISA-N 1 3 316.424 2.750 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1F ZINC000360589407 428358917 /nfs/dbraw/zinc/35/89/17/428358917.db2.gz QRZYTUGJMUIWPO-CXAGYDPISA-N 1 3 316.424 2.750 20 0 DFADHO CN(c1ccccc1CN[C@H]1C[C@H]1C(F)F)C1CC[NH+](C)CC1 ZINC000342242722 428364808 /nfs/dbraw/zinc/36/48/08/428364808.db2.gz WKHBKFSVUMKAIF-CVEARBPZSA-N 1 3 323.431 2.960 20 0 DFADHO Cc1cccc(CN2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414672565 428369494 /nfs/dbraw/zinc/36/94/94/428369494.db2.gz ATNFYYRQSHVZBI-HKUYNNGSSA-N 1 3 301.478 2.501 20 0 DFADHO CC(C)[NH+](CCN(C)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)C(C)C ZINC000357048331 428370473 /nfs/dbraw/zinc/37/04/73/428370473.db2.gz CTPYNXKVBBRWTE-ULQDDVLXSA-N 1 3 311.514 2.825 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000342259626 428372152 /nfs/dbraw/zinc/37/21/52/428372152.db2.gz HJVJMMMFBJKEFA-KRWDZBQOSA-N 1 3 309.498 2.585 20 0 DFADHO CCc1ccc([C@@H](C)NCC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000357075262 428379705 /nfs/dbraw/zinc/37/97/05/428379705.db2.gz VSRJMVOJOSDTCH-OAHLLOKOSA-N 1 3 317.477 2.500 20 0 DFADHO CN(CCCc1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371258188 428380353 /nfs/dbraw/zinc/38/03/53/428380353.db2.gz LRXJEZMPXPQZSM-FQEVSTJZSA-N 1 3 315.505 2.720 20 0 DFADHO CN(CCCc1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371258188 428380359 /nfs/dbraw/zinc/38/03/59/428380359.db2.gz LRXJEZMPXPQZSM-FQEVSTJZSA-N 1 3 315.505 2.720 20 0 DFADHO C[C@@H](C(=O)NCCCCC[NH+]1CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000357090522 428382114 /nfs/dbraw/zinc/38/21/14/428382114.db2.gz RZJNRWUWQDTQLR-BBWFWOEESA-N 1 3 309.498 2.630 20 0 DFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC3(C2)CCCCCC3)C1 ZINC000414712446 428383645 /nfs/dbraw/zinc/38/36/45/428383645.db2.gz UINWVHHMKDEZMP-KRWDZBQOSA-N 1 3 321.509 2.620 20 0 DFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC3(C2)CCCCCC3)C1 ZINC000414712446 428383648 /nfs/dbraw/zinc/38/36/48/428383648.db2.gz UINWVHHMKDEZMP-KRWDZBQOSA-N 1 3 321.509 2.620 20 0 DFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000378582824 428433444 /nfs/dbraw/zinc/43/34/44/428433444.db2.gz PKINAIGANWIOEA-CABCVRRESA-N 1 3 308.495 2.574 20 0 DFADHO c1cncc(C[NH2+]CCCNCc2cccc3cccnc32)c1 ZINC000414871210 428439889 /nfs/dbraw/zinc/43/98/89/428439889.db2.gz DEHVBHJMQQKOSQ-UHFFFAOYSA-N 1 3 306.413 2.899 20 0 DFADHO Cc1nc(COc2ccc(CNC[C@@H](C)C[NH3+])cc2)cs1 ZINC000414877881 428440689 /nfs/dbraw/zinc/44/06/89/428440689.db2.gz NMWRSMVAGYPGBZ-LBPRGKRZSA-N 1 3 305.447 2.715 20 0 DFADHO CCCNCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414871530 428440953 /nfs/dbraw/zinc/44/09/53/428440953.db2.gz OFNSDWMYAUGXRY-UHFFFAOYSA-N 1 3 309.885 2.894 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H](C)CN ZINC000414887149 428447090 /nfs/dbraw/zinc/44/70/90/428447090.db2.gz YXCPSXZDQVDOMS-VHSXEESVSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1F)NC[C@@H](C)C[NH3+] ZINC000414887149 428447096 /nfs/dbraw/zinc/44/70/96/428447096.db2.gz YXCPSXZDQVDOMS-VHSXEESVSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@H](CC[NH3+])NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414898743 428448590 /nfs/dbraw/zinc/44/85/90/428448590.db2.gz TXERQJQUMRJAMB-LLVKDONJSA-N 1 3 312.339 2.718 20 0 DFADHO COCCOC[C@H](C)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357241514 428450002 /nfs/dbraw/zinc/45/00/02/428450002.db2.gz XLJYWNRVKYSNNL-YQVWRLOYSA-N 1 3 320.477 2.538 20 0 DFADHO COCCOC[C@H](C)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357241514 428450007 /nfs/dbraw/zinc/45/00/07/428450007.db2.gz XLJYWNRVKYSNNL-YQVWRLOYSA-N 1 3 320.477 2.538 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000414904036 428451380 /nfs/dbraw/zinc/45/13/80/428451380.db2.gz KSZBZVBKXKSXFF-GDBMZVCRSA-N 1 3 303.450 2.698 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000353254464 428451553 /nfs/dbraw/zinc/45/15/53/428451553.db2.gz NXBLRCMGZJDDCR-VDZJLULYSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@@H]1C[C@@H](NC(=O)CCC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000379664610 428452358 /nfs/dbraw/zinc/45/23/58/428452358.db2.gz PTGUJFCJMHHHIA-WBVHZDCISA-N 1 3 317.477 2.673 20 0 DFADHO Cc1cc(C)c(C[NH+]2CCC(N(C)C[C@@H](C)O)CC2)c(C)c1 ZINC000353258256 428455322 /nfs/dbraw/zinc/45/53/22/428455322.db2.gz LRMVFKROUFXNBF-QGZVFWFLSA-N 1 3 304.478 2.889 20 0 DFADHO CC(C)n1ncc2cc(CN3CCC([C@H](C)[NH3+])CC3)cnc21 ZINC000347126749 428457785 /nfs/dbraw/zinc/45/77/85/428457785.db2.gz YGXOFIWGCMEKAE-ZDUSSCGKSA-N 1 3 301.438 2.571 20 0 DFADHO COc1cc(C[NH2+][C@H](C)CN)ccc1OCc1ccccc1 ZINC000414933395 428463630 /nfs/dbraw/zinc/46/36/30/428463630.db2.gz TZRHFZSAXJTWCM-CQSZACIVSA-N 1 3 300.402 2.711 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCNC[C@H]1C ZINC000414947225 428465879 /nfs/dbraw/zinc/46/58/79/428465879.db2.gz VSWWFHDFDMHZJM-BMFZPTHFSA-N 1 3 306.450 2.613 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414943673 428466728 /nfs/dbraw/zinc/46/67/28/428466728.db2.gz FRSSGRMOPALYAK-OFQRWUPVSA-N 1 3 303.450 2.696 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414943673 428466734 /nfs/dbraw/zinc/46/67/34/428466734.db2.gz FRSSGRMOPALYAK-OFQRWUPVSA-N 1 3 303.450 2.696 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(F)c(Br)c1 ZINC000414797215 428417318 /nfs/dbraw/zinc/41/73/18/428417318.db2.gz OVDWKWSETMIEBH-GXFFZTMASA-N 1 3 301.203 2.805 20 0 DFADHO CCC(N)(CC)C[NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000414815811 428421531 /nfs/dbraw/zinc/42/15/31/428421531.db2.gz YFMXKXVKYRFZEB-CYBMUJFWSA-N 1 3 307.438 2.519 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)Cc3cccc(Cl)c3)CC[C@H]21 ZINC000347045940 428423709 /nfs/dbraw/zinc/42/37/09/428423709.db2.gz GTVPQSVSPMSTRP-BPQIPLTHSA-N 1 3 322.880 2.660 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)Cc3cccc(Cl)c3)CC[C@H]21 ZINC000347045940 428423712 /nfs/dbraw/zinc/42/37/12/428423712.db2.gz GTVPQSVSPMSTRP-BPQIPLTHSA-N 1 3 322.880 2.660 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)Cc3cccc(Cl)c3)CC[C@H]21 ZINC000347045940 428423717 /nfs/dbraw/zinc/42/37/17/428423717.db2.gz GTVPQSVSPMSTRP-BPQIPLTHSA-N 1 3 322.880 2.660 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cc3cccc(Cl)c3)CC[C@H]21 ZINC000347045940 428423722 /nfs/dbraw/zinc/42/37/22/428423722.db2.gz GTVPQSVSPMSTRP-BPQIPLTHSA-N 1 3 322.880 2.660 20 0 DFADHO CSC1(CNCc2cc(F)cc(F)c2)CC[NH+](C)CC1 ZINC000353196120 428424081 /nfs/dbraw/zinc/42/40/81/428424081.db2.gz WOOKQRZGOAWWPE-UHFFFAOYSA-N 1 3 300.418 2.882 20 0 DFADHO CSC1(C[NH2+]Cc2cc(F)cc(F)c2)CCN(C)CC1 ZINC000353196120 428424089 /nfs/dbraw/zinc/42/40/89/428424089.db2.gz WOOKQRZGOAWWPE-UHFFFAOYSA-N 1 3 300.418 2.882 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H]1CCC[NH2+]C1 ZINC000414824893 428424242 /nfs/dbraw/zinc/42/42/42/428424242.db2.gz GHFHZYVKNBZEDO-KGLIPLIRSA-N 1 3 323.868 2.955 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000414824893 428424250 /nfs/dbraw/zinc/42/42/50/428424250.db2.gz GHFHZYVKNBZEDO-KGLIPLIRSA-N 1 3 323.868 2.955 20 0 DFADHO CN(C[C@H](O)Cc1cccc(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000347048020 428424735 /nfs/dbraw/zinc/42/47/35/428424735.db2.gz HRWRFZGNRXRIAQ-NVXWUHKLSA-N 1 3 310.869 2.517 20 0 DFADHO CN(C[C@H](O)Cc1cccc(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000347048020 428424739 /nfs/dbraw/zinc/42/47/39/428424739.db2.gz HRWRFZGNRXRIAQ-NVXWUHKLSA-N 1 3 310.869 2.517 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC000414824896 428425898 /nfs/dbraw/zinc/42/58/98/428425898.db2.gz GHFHZYVKNBZEDO-UONOGXRCSA-N 1 3 323.868 2.955 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000414824896 428425902 /nfs/dbraw/zinc/42/59/02/428425902.db2.gz GHFHZYVKNBZEDO-UONOGXRCSA-N 1 3 323.868 2.955 20 0 DFADHO C[C@H](CC(=O)N1CCCCCC1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414830050 428426206 /nfs/dbraw/zinc/42/62/06/428426206.db2.gz AKGHXUFIBGXUAE-WBVHZDCISA-N 1 3 309.498 2.665 20 0 DFADHO CN(C)CCOCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000318813560 273797089 /nfs/dbraw/zinc/79/70/89/273797089.db2.gz IYYUHFATUYYTHT-QGZVFWFLSA-N 1 3 301.434 2.713 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])CC(C)C)c1C ZINC000414832923 428428207 /nfs/dbraw/zinc/42/82/07/428428207.db2.gz FGCUEVNSCYGYAA-GOEBONIOSA-N 1 3 305.466 2.984 20 0 DFADHO COc1ccsc1CNCC1(SC)CC[NH+](C)CC1 ZINC000353198178 428428635 /nfs/dbraw/zinc/42/86/35/428428635.db2.gz YRDTYIOGUMXFRL-UHFFFAOYSA-N 1 3 300.493 2.674 20 0 DFADHO COc1ccsc1C[NH2+]CC1(SC)CCN(C)CC1 ZINC000353198178 428428641 /nfs/dbraw/zinc/42/86/41/428428641.db2.gz YRDTYIOGUMXFRL-UHFFFAOYSA-N 1 3 300.493 2.674 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1(N)CCCCC1 ZINC000414837885 428429333 /nfs/dbraw/zinc/42/93/33/428429333.db2.gz HHNLLOBCATXBNO-AEFFLSMTSA-N 1 3 301.478 2.758 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCC1([NH3+])CCCCC1 ZINC000414837885 428429337 /nfs/dbraw/zinc/42/93/37/428429337.db2.gz HHNLLOBCATXBNO-AEFFLSMTSA-N 1 3 301.478 2.758 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)NCC1([NH3+])CCCCC1 ZINC000414838414 428429522 /nfs/dbraw/zinc/42/95/22/428429522.db2.gz HZXBDTUOHWOWDZ-CQSZACIVSA-N 1 3 304.434 2.988 20 0 DFADHO Cc1csc(N2CCC(NCC3([NH3+])CCCCC3)CC2)n1 ZINC000414843841 428429561 /nfs/dbraw/zinc/42/95/61/428429561.db2.gz ORIRYBFEBYHHET-UHFFFAOYSA-N 1 3 308.495 2.672 20 0 DFADHO COc1c(Br)cccc1CNCC[C@@H]1CC[NH2+]C1 ZINC000414837090 428430381 /nfs/dbraw/zinc/43/03/81/428430381.db2.gz UDGYOCGSZXHTIA-NSHDSACASA-N 1 3 313.239 2.547 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000414842617 428430895 /nfs/dbraw/zinc/43/08/95/428430895.db2.gz PFMQSNAMIWMEON-WCQYABFASA-N 1 3 311.857 2.811 20 0 DFADHO Cn1c(CNCCC[C@H]2CCC[NH2+]2)nc2cc(Cl)ccc21 ZINC000414978560 428480952 /nfs/dbraw/zinc/48/09/52/428480952.db2.gz TUEHHHPJTTYMPC-ZDUSSCGKSA-N 1 3 306.841 2.849 20 0 DFADHO Cc1nn(C(C)(C)C)c(C)c1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415003556 428486425 /nfs/dbraw/zinc/48/64/25/428486425.db2.gz GEICRJCOBIXGBC-DOTOQJQBSA-N 1 3 304.482 2.733 20 0 DFADHO C[C@H](CCCC[NH3+])NCc1cc2c(cc1OC(F)F)OCO2 ZINC000415006797 428488370 /nfs/dbraw/zinc/48/83/70/428488370.db2.gz AJTZGGRTKHOXSK-SNVBAGLBSA-N 1 3 316.348 2.624 20 0 DFADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000415012775 428489341 /nfs/dbraw/zinc/48/93/41/428489341.db2.gz JYPRCPIDJZBZRA-MNOVXSKESA-N 1 3 312.339 2.716 20 0 DFADHO C[C@@H](CCCC[NH3+])NCc1cc(O)ccc1Br ZINC000415017485 428491718 /nfs/dbraw/zinc/49/17/18/428491718.db2.gz RZDWHRLWJUGLFZ-JTQLQIEISA-N 1 3 301.228 2.762 20 0 DFADHO c1ccc(C2CCC(CNC[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000415031364 428492766 /nfs/dbraw/zinc/49/27/66/428492766.db2.gz DVXBFUNUQFBIKA-KVZIAJEVSA-N 1 3 302.462 2.929 20 0 DFADHO CC(=O)Nc1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415036695 428495664 /nfs/dbraw/zinc/49/56/64/428495664.db2.gz GCNRHWRLTDZIAS-AEFFLSMTSA-N 1 3 301.434 2.609 20 0 DFADHO CCOc1cccc(CN[C@H]2CC[C@H](C[NH3+])C2)c1OC(F)F ZINC000415040726 428498773 /nfs/dbraw/zinc/49/87/73/428498773.db2.gz PFLQZVCLXLCTBF-AAEUAGOBSA-N 1 3 314.376 2.904 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000353357630 428499493 /nfs/dbraw/zinc/49/94/93/428499493.db2.gz WJKGRJTUDLZRBE-JKSUJKDBSA-N 1 3 310.482 2.962 20 0 DFADHO CC[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000353357630 428499498 /nfs/dbraw/zinc/49/94/98/428499498.db2.gz WJKGRJTUDLZRBE-JKSUJKDBSA-N 1 3 310.482 2.962 20 0 DFADHO CC[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000353357630 428499501 /nfs/dbraw/zinc/49/95/01/428499501.db2.gz WJKGRJTUDLZRBE-JKSUJKDBSA-N 1 3 310.482 2.962 20 0 DFADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CNCCCO1 ZINC000415048319 428499809 /nfs/dbraw/zinc/49/98/09/428499809.db2.gz XDHBQJFDZOGFPT-NEPJUHHUSA-N 1 3 317.260 2.893 20 0 DFADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CNCCCO1 ZINC000415048328 428500076 /nfs/dbraw/zinc/50/00/76/428500076.db2.gz XDHBQJFDZOGFPT-VXGBXAGGSA-N 1 3 317.260 2.893 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000360948984 428503658 /nfs/dbraw/zinc/50/36/58/428503658.db2.gz XZRGRBGNKKMGIW-NUJGCVRESA-N 1 3 321.534 2.890 20 0 DFADHO Cc1cc(CNCC2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000397498565 428511593 /nfs/dbraw/zinc/51/15/93/428511593.db2.gz DQDRQVHYFXNQJT-UHFFFAOYSA-N 1 3 312.461 2.730 20 0 DFADHO C[C@@]1(CNC2CCN(Cc3ccc(F)c(F)c3)CC2)CC[NH2+]C1 ZINC000415097741 428519153 /nfs/dbraw/zinc/51/91/53/428519153.db2.gz DIMQKMBCIRWKPP-GOSISDBHSA-N 1 3 323.431 2.518 20 0 DFADHO Fc1ccc(/C=C\CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415133003 428532063 /nfs/dbraw/zinc/53/20/63/428532063.db2.gz BOWJLWXPAVYHRM-ZSCXUVNLSA-N 1 3 316.420 2.539 20 0 DFADHO CCN1CCN(c2ccc(NCC[NH2+]C(C)(C)C)c(C)c2)CC1 ZINC000415122904 428528885 /nfs/dbraw/zinc/52/88/85/428528885.db2.gz OQQFBBDIXGEHEC-UHFFFAOYSA-N 1 3 318.509 2.937 20 0 DFADHO C[C@H]1CCN(Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C[NH3+] ZINC000415123729 428530292 /nfs/dbraw/zinc/53/02/92/428530292.db2.gz JOKRTKNPTAONIW-QWHCGFSZSA-N 1 3 304.463 2.565 20 0 DFADHO C[C@@H](Cc1ccccc1Br)[NH2+]C[C@@H]1CCCNC1 ZINC000415124845 428530498 /nfs/dbraw/zinc/53/04/98/428530498.db2.gz RRDPOEUNSDDMTP-QWHCGFSZSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H](Cc1ccccc1Br)NC[C@@H]1CCC[NH2+]C1 ZINC000415124845 428530501 /nfs/dbraw/zinc/53/05/01/428530501.db2.gz RRDPOEUNSDDMTP-QWHCGFSZSA-N 1 3 311.267 2.969 20 0 DFADHO Cc1ccc(F)cc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415122014 428530529 /nfs/dbraw/zinc/53/05/29/428530529.db2.gz JBRBOZNMNFBXEC-ROUUACIJSA-N 1 3 306.425 2.852 20 0 DFADHO c1cc(N2CCCC2)ncc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347157123 428474368 /nfs/dbraw/zinc/47/43/68/428474368.db2.gz FEKGRDBDISZBFI-GOSISDBHSA-N 1 3 314.477 2.646 20 0 DFADHO CN(C(=O)CCC(C)(C)[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000390797906 428475519 /nfs/dbraw/zinc/47/55/19/428475519.db2.gz LIUJIQAISGMEIG-UHFFFAOYSA-N 1 3 317.477 2.627 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353530475 428582124 /nfs/dbraw/zinc/58/21/24/428582124.db2.gz SRBUXTNPPDOTMP-QBPKDAKJSA-N 1 3 318.461 2.925 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353530475 428582128 /nfs/dbraw/zinc/58/21/28/428582128.db2.gz SRBUXTNPPDOTMP-QBPKDAKJSA-N 1 3 318.461 2.925 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@@H](C)[NH3+] ZINC000399390332 428539165 /nfs/dbraw/zinc/53/91/65/428539165.db2.gz RZZSZPYBQUPREV-NXHRZFHOSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)CN1CCCC1 ZINC000353456321 428544519 /nfs/dbraw/zinc/54/45/19/428544519.db2.gz VIXWVUUJFQCUMN-CVEARBPZSA-N 1 3 313.449 2.650 20 0 DFADHO COc1ccc(OCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1 ZINC000353456719 428545124 /nfs/dbraw/zinc/54/51/24/428545124.db2.gz WPOUYKPNPRDXNB-KZNAEPCWSA-N 1 3 304.434 2.536 20 0 DFADHO COc1ccc(OCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000353456719 428545128 /nfs/dbraw/zinc/54/51/28/428545128.db2.gz WPOUYKPNPRDXNB-KZNAEPCWSA-N 1 3 304.434 2.536 20 0 DFADHO COc1ccc(OCCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000353456719 428545130 /nfs/dbraw/zinc/54/51/30/428545130.db2.gz WPOUYKPNPRDXNB-KZNAEPCWSA-N 1 3 304.434 2.536 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353454990 428545151 /nfs/dbraw/zinc/54/51/51/428545151.db2.gz NBWYLIVALMNSSD-WJFTUGDTSA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353454990 428545155 /nfs/dbraw/zinc/54/51/55/428545155.db2.gz NBWYLIVALMNSSD-WJFTUGDTSA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353454990 428545158 /nfs/dbraw/zinc/54/51/58/428545158.db2.gz NBWYLIVALMNSSD-WJFTUGDTSA-N 1 3 319.468 2.891 20 0 DFADHO C[C@H](CC[NH+](C)C)N[C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400467580 428546111 /nfs/dbraw/zinc/54/61/11/428546111.db2.gz WQBDYFZCKTZTKX-KFWWJZLASA-N 1 3 313.486 2.704 20 0 DFADHO COCCOc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000353465822 428550936 /nfs/dbraw/zinc/55/09/36/428550936.db2.gz ZLDCRVUWTKJLMC-KURKYZTESA-N 1 3 318.461 2.674 20 0 DFADHO COCC1(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000361299542 428554775 /nfs/dbraw/zinc/55/47/75/428554775.db2.gz NLTYSWVWFRPTIZ-CALCHBBNSA-N 1 3 324.509 2.624 20 0 DFADHO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)C1(c2ccccc2)CCCC1 ZINC000343520187 428554953 /nfs/dbraw/zinc/55/49/53/428554953.db2.gz CXZICGHSFOXGGZ-IEBWSBKVSA-N 1 3 316.489 2.933 20 0 DFADHO COCC1(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)CCC1 ZINC000361299543 428555162 /nfs/dbraw/zinc/55/51/62/428555162.db2.gz NLTYSWVWFRPTIZ-IAGOWNOFSA-N 1 3 324.509 2.624 20 0 DFADHO C[C@H]1CCCN(CCC(=O)Nc2ccccc2F)[C@@H]1CC[NH3+] ZINC000404287499 428566979 /nfs/dbraw/zinc/56/69/79/428566979.db2.gz ITFIGQWOZKVERA-XJKSGUPXSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)[C@@H]1CCN ZINC000404287499 428566985 /nfs/dbraw/zinc/56/69/85/428566985.db2.gz ITFIGQWOZKVERA-XJKSGUPXSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)[C@@H]1CCN ZINC000404287499 428566986 /nfs/dbraw/zinc/56/69/86/428566986.db2.gz ITFIGQWOZKVERA-XJKSGUPXSA-N 1 3 307.413 2.604 20 0 DFADHO CC[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C)c1 ZINC000353522961 428576520 /nfs/dbraw/zinc/57/65/20/428576520.db2.gz SZAZQMUDYZOOFA-ROUUACIJSA-N 1 3 317.477 2.623 20 0 DFADHO CC[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C)c1 ZINC000353522961 428576524 /nfs/dbraw/zinc/57/65/24/428576524.db2.gz SZAZQMUDYZOOFA-ROUUACIJSA-N 1 3 317.477 2.623 20 0 DFADHO COc1ccccc1/C=C/CN1CCC(OCC[NH+](C)C)CC1 ZINC000353571914 428600693 /nfs/dbraw/zinc/60/06/93/428600693.db2.gz JBLDOYUFDVCCPC-SOFGYWHQSA-N 1 3 318.461 2.751 20 0 DFADHO CCC1(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000358482811 428604508 /nfs/dbraw/zinc/60/45/08/428604508.db2.gz LCTBYPGKPVOIHP-CALCHBBNSA-N 1 3 312.498 2.672 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@]12CCCO2 ZINC000358562412 428607949 /nfs/dbraw/zinc/60/79/49/428607949.db2.gz GUNDHBLZOOGTKV-GUDVDZBRSA-N 1 3 322.493 2.710 20 0 DFADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)N1CCC(C)CC1 ZINC000358628537 428613035 /nfs/dbraw/zinc/61/30/35/428613035.db2.gz KXPOMUWDTFMWAV-QGZVFWFLSA-N 1 3 323.525 2.735 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000344033735 428614883 /nfs/dbraw/zinc/61/48/83/428614883.db2.gz QCSFNPLJKIWKTK-GOSISDBHSA-N 1 3 307.457 2.628 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000344033735 428614889 /nfs/dbraw/zinc/61/48/89/428614889.db2.gz QCSFNPLJKIWKTK-GOSISDBHSA-N 1 3 307.457 2.628 20 0 DFADHO COc1cccc(CN2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000362105431 428622412 /nfs/dbraw/zinc/62/24/12/428622412.db2.gz HMVNSMMCHUXSMJ-OAHLLOKOSA-N 1 3 315.461 2.787 20 0 DFADHO COc1cccc(CN2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000362105431 428622418 /nfs/dbraw/zinc/62/24/18/428622418.db2.gz HMVNSMMCHUXSMJ-OAHLLOKOSA-N 1 3 315.461 2.787 20 0 DFADHO C[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000415913810 428624096 /nfs/dbraw/zinc/62/40/96/428624096.db2.gz RPIGNIFLIHRTPW-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO CNCc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000415913950 428625514 /nfs/dbraw/zinc/62/55/14/428625514.db2.gz SPUMWKHQEMUCGC-MRXNPFEDSA-N 1 3 318.465 2.648 20 0 DFADHO CNCc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000415913950 428625518 /nfs/dbraw/zinc/62/55/18/428625518.db2.gz SPUMWKHQEMUCGC-MRXNPFEDSA-N 1 3 318.465 2.648 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000415956787 428635390 /nfs/dbraw/zinc/63/53/90/428635390.db2.gz OQVJLMYAMOPQIP-GOEBONIOSA-N 1 3 318.465 2.743 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000353659757 428644897 /nfs/dbraw/zinc/64/48/97/428644897.db2.gz QOUOZBUCFVLJKB-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000353659757 428644904 /nfs/dbraw/zinc/64/49/04/428644904.db2.gz QOUOZBUCFVLJKB-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO CC1=C[C@@H](C)C[C@H](C[NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000353668724 428648731 /nfs/dbraw/zinc/64/87/31/428648731.db2.gz ABKCOUUBALTORF-AEFFLSMTSA-N 1 3 321.509 2.561 20 0 DFADHO CC1=C[C@H](C)C[C@@H](C[NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000353668725 428649736 /nfs/dbraw/zinc/64/97/36/428649736.db2.gz ABKCOUUBALTORF-FUHWJXTLSA-N 1 3 321.509 2.561 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000344505869 428668943 /nfs/dbraw/zinc/66/89/43/428668943.db2.gz BCNSVOJCOCVNPZ-TVFCKZIOSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000344505870 428670640 /nfs/dbraw/zinc/67/06/40/428670640.db2.gz BCNSVOJCOCVNPZ-USTZCAOPSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000344505870 428670644 /nfs/dbraw/zinc/67/06/44/428670644.db2.gz BCNSVOJCOCVNPZ-USTZCAOPSA-N 1 3 323.525 2.734 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H](OC)C(C)C)CC1 ZINC000344715896 428698760 /nfs/dbraw/zinc/69/87/60/428698760.db2.gz PHGYGCNJJPQFMH-LJQANCHMSA-N 1 3 319.493 2.589 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000362312200 428699065 /nfs/dbraw/zinc/69/90/65/428699065.db2.gz HZRDIXVNUPZHKD-ZWKOTPCHSA-N 1 3 323.525 2.687 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000362252236 428676876 /nfs/dbraw/zinc/67/68/76/428676876.db2.gz WIAPZLNKQFAEHL-CVEARBPZSA-N 1 3 310.482 2.915 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000362252236 428676882 /nfs/dbraw/zinc/67/68/82/428676882.db2.gz WIAPZLNKQFAEHL-CVEARBPZSA-N 1 3 310.482 2.915 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](CO)c2ccccc2Cl)[C@@H](C)C1 ZINC000348403400 428733137 /nfs/dbraw/zinc/73/31/37/428733137.db2.gz LVGGUHNOEFFESI-VBQJREDUSA-N 1 3 310.869 2.736 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](CO)c2ccccc2Cl)[C@@H](C)C1 ZINC000348403400 428733143 /nfs/dbraw/zinc/73/31/43/428733143.db2.gz LVGGUHNOEFFESI-VBQJREDUSA-N 1 3 310.869 2.736 20 0 DFADHO CC(C)[C@@H](N)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000353738401 428686723 /nfs/dbraw/zinc/68/67/23/428686723.db2.gz ADCQSMPZOIYLCL-GOSISDBHSA-N 1 3 317.477 2.883 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416233979 428695955 /nfs/dbraw/zinc/69/59/55/428695955.db2.gz LJFYASYQIVXQMW-WMZOPIPTSA-N 1 3 319.493 2.916 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416233979 428695958 /nfs/dbraw/zinc/69/59/58/428695958.db2.gz LJFYASYQIVXQMW-WMZOPIPTSA-N 1 3 319.493 2.916 20 0 DFADHO C[C@H]1CN(C)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411258745 428767091 /nfs/dbraw/zinc/76/70/91/428767091.db2.gz MGHITEHKYCIKTE-KRWDZBQOSA-N 1 3 301.478 2.808 20 0 DFADHO OCC[C@@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411309120 428775629 /nfs/dbraw/zinc/77/56/29/428775629.db2.gz JBXJDNURTMQLSR-KRWDZBQOSA-N 1 3 302.462 2.877 20 0 DFADHO OCC[C@@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411309120 428775634 /nfs/dbraw/zinc/77/56/34/428775634.db2.gz JBXJDNURTMQLSR-KRWDZBQOSA-N 1 3 302.462 2.877 20 0 DFADHO CCOC(=O)C1(C)CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000353929418 428782071 /nfs/dbraw/zinc/78/20/71/428782071.db2.gz MECBSLUZHDPIBG-LPMVOBIJSA-N 1 3 308.466 2.715 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000411365051 428783531 /nfs/dbraw/zinc/78/35/31/428783531.db2.gz MTKOKKUZBPOVJM-IRXDYDNUSA-N 1 3 323.525 2.781 20 0 DFADHO OC1(CCN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000411721217 428847257 /nfs/dbraw/zinc/84/72/57/428847257.db2.gz RRDLLKHYHWAHBK-LJQANCHMSA-N 1 3 314.473 2.890 20 0 DFADHO OC1(CCN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000411721217 428847259 /nfs/dbraw/zinc/84/72/59/428847259.db2.gz RRDLLKHYHWAHBK-LJQANCHMSA-N 1 3 314.473 2.890 20 0 DFADHO COC[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C1CC1 ZINC000375307123 428850749 /nfs/dbraw/zinc/85/07/49/428850749.db2.gz DTDZZWJPNVPVRA-LJQANCHMSA-N 1 3 318.461 2.674 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2c(C)cccc2C)CC1 ZINC000411526090 428810957 /nfs/dbraw/zinc/81/09/57/428810957.db2.gz LUKSDEFJZUVYHN-INIZCTEOSA-N 1 3 317.477 2.555 20 0 DFADHO CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000359119205 428826129 /nfs/dbraw/zinc/82/61/29/428826129.db2.gz WWTWATKVUMOKRM-IAGOWNOFSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)CC(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000359119205 428826136 /nfs/dbraw/zinc/82/61/36/428826136.db2.gz WWTWATKVUMOKRM-IAGOWNOFSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)CC(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000359119205 428826141 /nfs/dbraw/zinc/82/61/41/428826141.db2.gz WWTWATKVUMOKRM-IAGOWNOFSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCc2nccn2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000375377630 428867932 /nfs/dbraw/zinc/86/79/32/428867932.db2.gz GLRNIQQWDHZSLZ-QXAKKESOSA-N 1 3 324.472 2.698 20 0 DFADHO CN(CCC1CC[NH2+]CC1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000359222945 428871525 /nfs/dbraw/zinc/87/15/25/428871525.db2.gz RHBUCAKNTXUZAQ-GOSISDBHSA-N 1 3 315.461 2.504 20 0 DFADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000354135688 428881297 /nfs/dbraw/zinc/88/12/97/428881297.db2.gz ZNOKUIIFDQLUJC-XSLAGTTESA-N 1 3 312.498 2.671 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN2CCCCC2)[C@@H]1C ZINC000354148985 428887825 /nfs/dbraw/zinc/88/78/25/428887825.db2.gz ZDTMGTXEKKQMJD-NCOADZHNSA-N 1 3 310.482 2.676 20 0 DFADHO CCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000375460890 428889857 /nfs/dbraw/zinc/88/98/57/428889857.db2.gz QIAFWFHAKVAEEO-KBAYOESNSA-N 1 3 317.477 2.574 20 0 DFADHO O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000349002767 428897804 /nfs/dbraw/zinc/89/78/04/428897804.db2.gz IZULGGRIGLVTJI-XVLXNVKGSA-N 1 3 300.446 2.543 20 0 DFADHO O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000349002767 428897811 /nfs/dbraw/zinc/89/78/11/428897811.db2.gz IZULGGRIGLVTJI-XVLXNVKGSA-N 1 3 300.446 2.543 20 0 DFADHO C[C@@H]1OCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354174347 428898615 /nfs/dbraw/zinc/89/86/15/428898615.db2.gz XCNQNKFNMJDUGX-RMPXNZIMSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@@H]1OCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354174347 428898618 /nfs/dbraw/zinc/89/86/18/428898618.db2.gz XCNQNKFNMJDUGX-RMPXNZIMSA-N 1 3 300.446 2.949 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1sc(C)nc1C ZINC000349035660 428905304 /nfs/dbraw/zinc/90/53/04/428905304.db2.gz LAHBTLMLJYHXNE-MRXNPFEDSA-N 1 3 324.538 2.608 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1sc(C)nc1C ZINC000349035660 428905309 /nfs/dbraw/zinc/90/53/09/428905309.db2.gz LAHBTLMLJYHXNE-MRXNPFEDSA-N 1 3 324.538 2.608 20 0 DFADHO COc1ccc([C@H](O)[C@H]2CCCN2CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000363460018 428919057 /nfs/dbraw/zinc/91/90/57/428919057.db2.gz VQJVBYHHHSGEKF-UHOSZYNNSA-N 1 3 318.461 2.677 20 0 DFADHO COc1ccc([C@H](O)[C@H]2CCCN2CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000363460018 428919060 /nfs/dbraw/zinc/91/90/60/428919060.db2.gz VQJVBYHHHSGEKF-UHOSZYNNSA-N 1 3 318.461 2.677 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000349090362 428919882 /nfs/dbraw/zinc/91/98/82/428919882.db2.gz WEZPGGLOFLEDFD-QGZVFWFLSA-N 1 3 309.498 2.632 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000349090362 428919889 /nfs/dbraw/zinc/91/98/89/428919889.db2.gz WEZPGGLOFLEDFD-QGZVFWFLSA-N 1 3 309.498 2.632 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000349115838 428920784 /nfs/dbraw/zinc/92/07/84/428920784.db2.gz DZISJCGOOBIXAO-FGTMMUONSA-N 1 3 323.525 2.735 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000349115838 428920788 /nfs/dbraw/zinc/92/07/88/428920788.db2.gz DZISJCGOOBIXAO-FGTMMUONSA-N 1 3 323.525 2.735 20 0 DFADHO CCOc1cccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000349149139 428928913 /nfs/dbraw/zinc/92/89/13/428928913.db2.gz LEXUNYCRCJACMI-MRXNPFEDSA-N 1 3 303.450 2.644 20 0 DFADHO CCC([NH3+])(CC)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000363526468 428933665 /nfs/dbraw/zinc/93/36/65/428933665.db2.gz FBYAFIUEKURXEE-UHFFFAOYSA-N 1 3 317.477 2.532 20 0 DFADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccccn1 ZINC000423554532 428971921 /nfs/dbraw/zinc/97/19/21/428971921.db2.gz HJDCDCAKHWVCNJ-QGZVFWFLSA-N 1 3 324.472 2.726 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000359379684 428947342 /nfs/dbraw/zinc/94/73/42/428947342.db2.gz PGVOXXIBOKYGJI-OWCLPIDISA-N 1 3 307.507 2.815 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](c1cccs1)N1CCCC1 ZINC000359379684 428947347 /nfs/dbraw/zinc/94/73/47/428947347.db2.gz PGVOXXIBOKYGJI-OWCLPIDISA-N 1 3 307.507 2.815 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](c1cccs1)N1CCCC1 ZINC000359379684 428947352 /nfs/dbraw/zinc/94/73/52/428947352.db2.gz PGVOXXIBOKYGJI-OWCLPIDISA-N 1 3 307.507 2.815 20 0 DFADHO C[C@H]1CN(CCC2CC[NH+](CCCCF)CC2)C[C@H](C)O1 ZINC000375715075 428952026 /nfs/dbraw/zinc/95/20/26/428952026.db2.gz AOWIUBVPIIBYNI-HOTGVXAUSA-N 1 3 300.462 2.947 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375782951 428972095 /nfs/dbraw/zinc/97/20/95/428972095.db2.gz PEJUYUXLBGTHPB-UTRMSSBJSA-N 1 3 318.461 2.925 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375782951 428972102 /nfs/dbraw/zinc/97/21/02/428972102.db2.gz PEJUYUXLBGTHPB-UTRMSSBJSA-N 1 3 318.461 2.925 20 0 DFADHO C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000349346688 428967062 /nfs/dbraw/zinc/96/70/62/428967062.db2.gz YKPORBWMBCVVTD-SYCBWMALSA-N 1 3 314.473 2.814 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]CCCNC2CC2)c(C)c1OC ZINC000423543016 428968262 /nfs/dbraw/zinc/96/82/62/428968262.db2.gz BNQYPJLUATUGJA-CYBMUJFWSA-N 1 3 306.450 2.675 20 0 DFADHO COc1ccc(C[C@@H](C)NCCC[NH2+]C2CC2)c(C)c1OC ZINC000423543016 428968269 /nfs/dbraw/zinc/96/82/69/428968269.db2.gz BNQYPJLUATUGJA-CYBMUJFWSA-N 1 3 306.450 2.675 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000421707661 429019395 /nfs/dbraw/zinc/01/93/95/429019395.db2.gz YAKPWGFVUXKHPJ-GOSISDBHSA-N 1 3 317.477 2.695 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)CCC2 ZINC000166117336 274773841 /nfs/dbraw/zinc/77/38/41/274773841.db2.gz VETJLNBUOYZLBJ-FQEVSTJZSA-N 1 3 315.505 2.988 20 0 DFADHO NC1(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCCC1 ZINC000423802049 429025376 /nfs/dbraw/zinc/02/53/76/429025376.db2.gz UUNHKJHLQHPZCV-UHFFFAOYSA-N 1 3 321.509 2.763 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(CCN(C)C)CC1)CCC2 ZINC000166117216 274777149 /nfs/dbraw/zinc/77/71/49/274777149.db2.gz VETJLNBUOYZLBJ-HXUWFJFHSA-N 1 3 315.505 2.988 20 0 DFADHO CN(C)Cc1ccc(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000423719087 429002224 /nfs/dbraw/zinc/00/22/24/429002224.db2.gz BVOZUSVYNHDJCP-ROUUACIJSA-N 1 3 317.477 2.662 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000423743865 429006620 /nfs/dbraw/zinc/00/66/20/429006620.db2.gz MZQUEKVQTMWVRX-LJQANCHMSA-N 1 3 317.477 2.629 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)N1CCCCC1 ZINC000354783295 429007493 /nfs/dbraw/zinc/00/74/93/429007493.db2.gz FWTDBABPBUPPFE-MSOLQXFVSA-N 1 3 323.525 2.734 20 0 DFADHO Cc1ncccc1O[C@H]1CC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000375986177 429034458 /nfs/dbraw/zinc/03/44/58/429034458.db2.gz PGOWYDUZPCSRIN-SJORKVTESA-N 1 3 303.450 2.718 20 0 DFADHO Cc1ncccc1O[C@H]1CC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000375986177 429034460 /nfs/dbraw/zinc/03/44/60/429034460.db2.gz PGOWYDUZPCSRIN-SJORKVTESA-N 1 3 303.450 2.718 20 0 DFADHO CCCCN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000354807030 429010956 /nfs/dbraw/zinc/01/09/56/429010956.db2.gz NQWMJERYEXCNHD-GOSISDBHSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@H](CCC[NH3+])N[C@H](C)c1ncc(Br)cc1F ZINC000423455706 429090266 /nfs/dbraw/zinc/09/02/66/429090266.db2.gz MZTROIYROIXLFH-RKDXNWHRSA-N 1 3 304.207 2.761 20 0 DFADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423457159 429090720 /nfs/dbraw/zinc/09/07/20/429090720.db2.gz FNSSKCKTIVSCIH-YVZVNANGSA-N 1 3 301.203 2.901 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000423474428 429093859 /nfs/dbraw/zinc/09/38/59/429093859.db2.gz OUKGMIJKIPXXHD-VYCZESIESA-N 1 3 320.452 2.924 20 0 DFADHO COCCc1nc(C)c([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000423281698 429055243 /nfs/dbraw/zinc/05/52/43/429055243.db2.gz UKLLWTNRURPPQK-IACUBPJLSA-N 1 3 311.495 2.809 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2CN)cc1OC ZINC000423278313 429055585 /nfs/dbraw/zinc/05/55/85/429055585.db2.gz QPFVKWYJZFQENV-OCVGTWLNSA-N 1 3 306.450 2.913 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423285681 429058683 /nfs/dbraw/zinc/05/86/83/429058683.db2.gz ZNCRZESJTLLCJC-WKWVNEEDSA-N 1 3 313.489 2.899 20 0 DFADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423311068 429060021 /nfs/dbraw/zinc/06/00/21/429060021.db2.gz BHIHDBRSGSIOQL-OALUTQOASA-N 1 3 311.429 2.701 20 0 DFADHO CCCC[C@@H](CN)[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000423303161 429061032 /nfs/dbraw/zinc/06/10/32/429061032.db2.gz WQRTWWINDNUKAG-WFASDCNBSA-N 1 3 307.438 2.822 20 0 DFADHO C[C@@H](C[NH3+])CN[C@@H]1CCc2c1cc(Br)cc2F ZINC000423297095 429061259 /nfs/dbraw/zinc/06/12/59/429061259.db2.gz IRUGJELZYGUYPE-ISVAXAHUSA-N 1 3 301.203 2.760 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(N)CCC2)c2ccccc21 ZINC000423316635 429063444 /nfs/dbraw/zinc/06/34/44/429063444.db2.gz BXTAVKBMEYRMRH-HZPDHXFCSA-N 1 3 302.418 2.639 20 0 DFADHO C[C@H](Cc1ccc(F)cc1Br)NCC1([NH3+])CCC1 ZINC000423330440 429065252 /nfs/dbraw/zinc/06/52/52/429065252.db2.gz NTIMZKOTQHXCLJ-SNVBAGLBSA-N 1 3 315.230 2.990 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423328646 429065449 /nfs/dbraw/zinc/06/54/49/429065449.db2.gz OAWGXCHNBLPIND-CYBMUJFWSA-N 1 3 304.438 2.749 20 0 DFADHO [NH3+]C1(CN[C@@H]2CCc3cccc(Br)c3C2)CCC1 ZINC000423326980 429066143 /nfs/dbraw/zinc/06/61/43/429066143.db2.gz MPWDEKBNJGJVCU-GFCCVEGCSA-N 1 3 309.251 2.777 20 0 DFADHO CCOC(=O)c1oc2c(c1C)[C@H](NCC1=CC[NH2+]CC1)CCC2 ZINC000423338080 429066898 /nfs/dbraw/zinc/06/68/98/429066898.db2.gz ASBISUVZSYJFEE-CQSZACIVSA-N 1 3 318.417 2.651 20 0 DFADHO [NH3+][C@H](CN[C@@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000423334590 429068804 /nfs/dbraw/zinc/06/88/04/429068804.db2.gz WTKQOIDDWUBVAF-IUODEOHRSA-N 1 3 309.251 2.633 20 0 DFADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423348450 429069549 /nfs/dbraw/zinc/06/95/49/429069549.db2.gz UCVBBEKHMMKXNC-CYBMUJFWSA-N 1 3 314.433 2.541 20 0 DFADHO COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@]2(C)CCCNC2)cc1OC ZINC000423351917 429069872 /nfs/dbraw/zinc/06/98/72/429069872.db2.gz ZVAWSDZHUMTSGQ-BEFAXECRSA-N 1 3 320.477 2.923 20 0 DFADHO COc1cc(C)c(C[C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000423351917 429069877 /nfs/dbraw/zinc/06/98/77/429069877.db2.gz ZVAWSDZHUMTSGQ-BEFAXECRSA-N 1 3 320.477 2.923 20 0 DFADHO C[C@@H]1[C@@H](NCC[C@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000423355330 429071442 /nfs/dbraw/zinc/07/14/42/429071442.db2.gz IAZLEAXBXYLEQV-QRQLOZEOSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)OCCO2 ZINC000423353550 429072926 /nfs/dbraw/zinc/07/29/26/429072926.db2.gz DOGJWISPIYNWME-ZDUSSCGKSA-N 1 3 310.397 2.912 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)c(C)c1OC ZINC000423374124 429077365 /nfs/dbraw/zinc/07/73/65/429077365.db2.gz HUHFQYBSPQATMD-XEZPLFJOSA-N 1 3 306.450 2.673 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)c(C)c1OC ZINC000423374124 429077368 /nfs/dbraw/zinc/07/73/68/429077368.db2.gz HUHFQYBSPQATMD-XEZPLFJOSA-N 1 3 306.450 2.673 20 0 DFADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000423398733 429081703 /nfs/dbraw/zinc/08/17/03/429081703.db2.gz VIKHUJOUVGAQKS-PBWTXFEYSA-N 1 3 301.478 2.770 20 0 DFADHO C[C@@H]1NCCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000423398733 429081706 /nfs/dbraw/zinc/08/17/06/429081706.db2.gz VIKHUJOUVGAQKS-PBWTXFEYSA-N 1 3 301.478 2.770 20 0 DFADHO c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc2c1CNC2 ZINC000423405650 429082281 /nfs/dbraw/zinc/08/22/81/429082281.db2.gz YFRQNGDREHFRTL-QXAKKESOSA-N 1 3 300.446 2.975 20 0 DFADHO COC[C@]1(C[NH2+][C@@H](C)CCc2c(F)cccc2F)CCCN1 ZINC000423415689 429084803 /nfs/dbraw/zinc/08/48/03/429084803.db2.gz PEZXVVAZBBVEBI-SUMWQHHRSA-N 1 3 312.404 2.644 20 0 DFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423427159 429087625 /nfs/dbraw/zinc/08/76/25/429087625.db2.gz IICXTVQAGOCLFC-RDJZCZTQSA-N 1 3 317.477 2.513 20 0 DFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423427159 429087629 /nfs/dbraw/zinc/08/76/29/429087629.db2.gz IICXTVQAGOCLFC-RDJZCZTQSA-N 1 3 317.477 2.513 20 0 DFADHO CSc1ccccc1NC(=O)CCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000435623720 429155591 /nfs/dbraw/zinc/15/55/91/429155591.db2.gz VQTTYWHNPOQZGY-CQSZACIVSA-N 1 3 321.490 2.811 20 0 DFADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CNCCCO1 ZINC000423494670 429098805 /nfs/dbraw/zinc/09/88/05/429098805.db2.gz SOHIRFLAMVHJCB-OCCSQVGLSA-N 1 3 316.367 2.605 20 0 DFADHO C[C@@H]1C[N@@H+]([C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@@]1(C)CN ZINC000423505581 429102095 /nfs/dbraw/zinc/10/20/95/429102095.db2.gz HEENHOVCFVAKTQ-ONCXSQPRSA-N 1 3 315.505 2.814 20 0 DFADHO C[C@@H]1C[N@H+]([C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@@]1(C)CN ZINC000423505581 429102096 /nfs/dbraw/zinc/10/20/96/429102096.db2.gz HEENHOVCFVAKTQ-ONCXSQPRSA-N 1 3 315.505 2.814 20 0 DFADHO COc1cc(C)c(C[C@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423501641 429102292 /nfs/dbraw/zinc/10/22/92/429102292.db2.gz BNIGKLDZCNOPMN-ZRGWGRIASA-N 1 3 320.477 2.860 20 0 DFADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H](C)[C@](C)(CN)C2)CN1Cc1ccccc1 ZINC000423508258 429103989 /nfs/dbraw/zinc/10/39/89/429103989.db2.gz KOKBRWAMZHNHBN-KCITZHQASA-N 1 3 301.478 2.566 20 0 DFADHO C[C@H]1C[C@H]([N@H+]2C[C@@H](C)[C@](C)(CN)C2)CN1Cc1ccccc1 ZINC000423508258 429103992 /nfs/dbraw/zinc/10/39/92/429103992.db2.gz KOKBRWAMZHNHBN-KCITZHQASA-N 1 3 301.478 2.566 20 0 DFADHO CCN(C(=O)CC[C@H](C)[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000434685995 429105018 /nfs/dbraw/zinc/10/50/18/429105018.db2.gz SMRRMUQGFDIGTG-LZLYRXPVSA-N 1 3 317.477 2.798 20 0 DFADHO C[C@H](c1cccc(N2CCCC2=O)c1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423518165 429107096 /nfs/dbraw/zinc/10/70/96/429107096.db2.gz YXBQOEUZRWJZLY-SPYBWZPUSA-N 1 3 315.461 2.791 20 0 DFADHO C[C@H](c1cccc(N2CCCC2=O)c1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423518165 429107099 /nfs/dbraw/zinc/10/70/99/429107099.db2.gz YXBQOEUZRWJZLY-SPYBWZPUSA-N 1 3 315.461 2.791 20 0 DFADHO C[C@H](c1cccc(N2CCCC2=O)c1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423518165 429107101 /nfs/dbraw/zinc/10/71/01/429107101.db2.gz YXBQOEUZRWJZLY-SPYBWZPUSA-N 1 3 315.461 2.791 20 0 DFADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1(C)C ZINC000423517791 429107152 /nfs/dbraw/zinc/10/71/52/429107152.db2.gz BXOASPCLFOVNQK-DAAWSLCZSA-N 1 3 306.494 2.789 20 0 DFADHO CO[C@@H]1[C@H](C)[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000423517791 429107155 /nfs/dbraw/zinc/10/71/55/429107155.db2.gz BXOASPCLFOVNQK-DAAWSLCZSA-N 1 3 306.494 2.789 20 0 DFADHO CC1(C)[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)[C@@H]2CCO[C@H]21 ZINC000423522839 429108715 /nfs/dbraw/zinc/10/87/15/429108715.db2.gz HRUUDFQHFMJDQY-UPOVVZTNSA-N 1 3 304.478 2.543 20 0 DFADHO CC1(C)[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H]2CCO[C@H]21 ZINC000423522839 429108721 /nfs/dbraw/zinc/10/87/21/429108721.db2.gz HRUUDFQHFMJDQY-UPOVVZTNSA-N 1 3 304.478 2.543 20 0 DFADHO Cc1ccc([C@H](NC[C@@H]2C[NH2+]CCN2C)C2CCCC2)cc1 ZINC000423522890 429109254 /nfs/dbraw/zinc/10/92/54/429109254.db2.gz RXGKEHOWSRQVNG-RBUKOAKNSA-N 1 3 301.478 2.720 20 0 DFADHO CCc1ccc(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424285566 429120027 /nfs/dbraw/zinc/12/00/27/429120027.db2.gz FWBZYRPENDSOSX-OAHLLOKOSA-N 1 3 315.461 2.652 20 0 DFADHO COc1c(C)cnc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1C ZINC000424291280 429121724 /nfs/dbraw/zinc/12/17/24/429121724.db2.gz NIQAUXVFKGLSPM-CQSZACIVSA-N 1 3 303.450 2.671 20 0 DFADHO CCc1ccccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000376496445 429122399 /nfs/dbraw/zinc/12/23/99/429122399.db2.gz XKCVQNOVAOZABS-XLIONFOSSA-N 1 3 315.505 2.707 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CCOC3CCC3)CC2)C[C@@H](C)O1 ZINC000376525541 429128871 /nfs/dbraw/zinc/12/88/71/429128871.db2.gz KDGRPFDEMQNASK-IAGOWNOFSA-N 1 3 324.509 2.767 20 0 DFADHO CCN(Cc1cn(-c2ccncc2)nc1C)[C@H]1CCC[NH2+]CC1 ZINC000435384724 429137035 /nfs/dbraw/zinc/13/70/35/429137035.db2.gz NXNIWNNBFQTRPK-KRWDZBQOSA-N 1 3 313.449 2.540 20 0 DFADHO NCc1cc(NC(=O)CC[C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000494670569 429140565 /nfs/dbraw/zinc/14/05/65/429140565.db2.gz ZJYYDUCAOQUVHG-GFCCVEGCSA-N 1 3 315.339 2.635 20 0 DFADHO c1n[nH]c2c1CC[C@@H]([NH2+]C1CCN(Cc3ccccc3)CC1)C2 ZINC000363936530 429142641 /nfs/dbraw/zinc/14/26/41/429142641.db2.gz HDXAGISCBQMJNO-GOSISDBHSA-N 1 3 310.445 2.521 20 0 DFADHO C[C@@H]([NH3+])Cc1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000435727525 429161124 /nfs/dbraw/zinc/16/11/24/429161124.db2.gz YUUVOOXQAXJHEO-CYBMUJFWSA-N 1 3 300.406 2.612 20 0 DFADHO C[NH2+]CCCc1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000435725276 429161312 /nfs/dbraw/zinc/16/13/12/429161312.db2.gz GEAUPYRBMOWCAW-UHFFFAOYSA-N 1 3 314.433 2.875 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)[C@@H]1C ZINC000494927290 429165257 /nfs/dbraw/zinc/16/52/57/429165257.db2.gz ZUMFJPZYCBXBFL-MDZRGWNJSA-N 1 3 301.478 2.568 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000436297769 429196211 /nfs/dbraw/zinc/19/62/11/429196211.db2.gz NXPUSLGUIHFJMD-ATZDWAIDSA-N 1 3 305.510 2.856 20 0 DFADHO CC[NH+](CC)CC1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000436244190 429191274 /nfs/dbraw/zinc/19/12/74/429191274.db2.gz CEWOIUFTRSNSAL-ZACQAIPSSA-N 1 3 323.525 2.828 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000364469219 429209760 /nfs/dbraw/zinc/20/97/60/429209760.db2.gz TVCNMKMRMOTNJG-MAUKXSAKSA-N 1 3 317.477 2.706 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]CC2)c(CN(C)C)c1 ZINC000364498563 429213797 /nfs/dbraw/zinc/21/37/97/429213797.db2.gz XNWQUNNKMZJLIR-OAHLLOKOSA-N 1 3 303.450 2.775 20 0 DFADHO CN1CCC(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000456261702 429267717 /nfs/dbraw/zinc/26/77/17/429267717.db2.gz GDIHWIAMQOIHAO-KRWDZBQOSA-N 1 3 301.434 2.516 20 0 DFADHO Cc1cccc(CCNC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000449162816 429347460 /nfs/dbraw/zinc/34/74/60/429347460.db2.gz UDPISSAQYHWTDS-GOSISDBHSA-N 1 3 302.462 2.628 20 0 DFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCCN2C)CC1 ZINC000449102004 429332815 /nfs/dbraw/zinc/33/28/15/429332815.db2.gz HWNZLKQOVBLRMM-PXNSSMCTSA-N 1 3 315.505 2.766 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc3cccnc3o2)C[C@H](C)O1 ZINC000449104288 429333236 /nfs/dbraw/zinc/33/32/36/429333236.db2.gz UTCAFLXZNCQKKO-GASCZTMLSA-N 1 3 317.433 2.807 20 0 DFADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C1 ZINC000449104598 429333574 /nfs/dbraw/zinc/33/35/74/429333574.db2.gz ANHMVKAGAUDFKO-JTDSTZFVSA-N 1 3 307.526 2.959 20 0 DFADHO CC(C)C[C@@H](C[N@@H+]1CC[C@@H](N2CCNCC2)C1)c1ccccc1 ZINC000504438643 429335967 /nfs/dbraw/zinc/33/59/67/429335967.db2.gz NGIJFWYANWGQJS-VQTJNVASSA-N 1 3 315.505 2.796 20 0 DFADHO CC(C)C[C@@H](C[N@H+]1CC[C@@H](N2CCNCC2)C1)c1ccccc1 ZINC000504438643 429335971 /nfs/dbraw/zinc/33/59/71/429335971.db2.gz NGIJFWYANWGQJS-VQTJNVASSA-N 1 3 315.505 2.796 20 0 DFADHO CC(C)C[C@H](C[N@@H+]1CC[C@H](N2CCNCC2)C1)c1ccccc1 ZINC000504438642 429336539 /nfs/dbraw/zinc/33/65/39/429336539.db2.gz NGIJFWYANWGQJS-UXHICEINSA-N 1 3 315.505 2.796 20 0 DFADHO CC(C)C[C@H](C[N@H+]1CC[C@H](N2CCNCC2)C1)c1ccccc1 ZINC000504438642 429336541 /nfs/dbraw/zinc/33/65/41/429336541.db2.gz NGIJFWYANWGQJS-UXHICEINSA-N 1 3 315.505 2.796 20 0 DFADHO CCC[C@@H](O)CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449142686 429342476 /nfs/dbraw/zinc/34/24/76/429342476.db2.gz GNHZIMCUROKIGB-VQIMIIECSA-N 1 3 304.478 2.833 20 0 DFADHO CC(C)[C@H](O)CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449143299 429343464 /nfs/dbraw/zinc/34/34/64/429343464.db2.gz PYSNAKCKMAVIIO-VQIMIIECSA-N 1 3 304.478 2.689 20 0 DFADHO CO[C@H](C[N@H+](C)CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000425425446 429292523 /nfs/dbraw/zinc/29/25/23/429292523.db2.gz UGZGEDAMRLAYDC-GOSISDBHSA-N 1 3 303.450 2.655 20 0 DFADHO CO[C@H](C[N@@H+](C)CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000425425446 429292525 /nfs/dbraw/zinc/29/25/25/429292525.db2.gz UGZGEDAMRLAYDC-GOSISDBHSA-N 1 3 303.450 2.655 20 0 DFADHO CC(C)[NH+]1CCC(N(C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000495962347 429300662 /nfs/dbraw/zinc/30/06/62/429300662.db2.gz WKQWMCGQBNLJTB-UHFFFAOYSA-N 1 3 313.486 2.706 20 0 DFADHO CN(C)[C@H]1CCC[N@H+](CCN2CCCc3ccccc32)CC1 ZINC000365404449 429313406 /nfs/dbraw/zinc/31/34/06/429313406.db2.gz PVVZEQWJRVKVLR-SFHVURJKSA-N 1 3 301.478 2.855 20 0 DFADHO CN(C)[C@H]1CCC[N@@H+](CCN2CCCc3ccccc32)CC1 ZINC000365404449 429313407 /nfs/dbraw/zinc/31/34/07/429313407.db2.gz PVVZEQWJRVKVLR-SFHVURJKSA-N 1 3 301.478 2.855 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1OC ZINC000517758085 429397848 /nfs/dbraw/zinc/39/78/48/429397848.db2.gz YNMLJKBXYZFYNG-CHWSQXEVSA-N 1 3 312.841 2.759 20 0 DFADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)c(Cl)c1OC ZINC000517758085 429397851 /nfs/dbraw/zinc/39/78/51/429397851.db2.gz YNMLJKBXYZFYNG-CHWSQXEVSA-N 1 3 312.841 2.759 20 0 DFADHO CC(C)(C)[C@H]1C[C@@H](NCc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425894419 429349644 /nfs/dbraw/zinc/34/96/44/429349644.db2.gz GMWUIGZXWZKVIL-WMLDXEAASA-N 1 3 321.465 2.825 20 0 DFADHO CC(C)[C@@H]1OCCC[C@@H]1CNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425902155 429351016 /nfs/dbraw/zinc/35/10/16/429351016.db2.gz RUEJRNZOZKNWFY-QAPCUYQASA-N 1 3 321.465 2.682 20 0 DFADHO CN1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000425981307 429356269 /nfs/dbraw/zinc/35/62/69/429356269.db2.gz QRUHLQOBXWCXLY-GASCZTMLSA-N 1 3 316.836 2.724 20 0 DFADHO CN1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000425981307 429356271 /nfs/dbraw/zinc/35/62/71/429356271.db2.gz QRUHLQOBXWCXLY-GASCZTMLSA-N 1 3 316.836 2.724 20 0 DFADHO C[C@@H](C(=O)N1CCC([NH2+]C2CCCC2)CC1)N1CCCCCC1 ZINC000365647884 429358015 /nfs/dbraw/zinc/35/80/15/429358015.db2.gz RJAFERLRNKISPZ-INIZCTEOSA-N 1 3 321.509 2.774 20 0 DFADHO CCN(CCN[C@H]1CC[N@H+](CC)C[C@@H]1C)CCC(F)(F)F ZINC000426079365 429365402 /nfs/dbraw/zinc/36/54/02/429365402.db2.gz PEWKBNCQEIEDPA-KBPBESRZSA-N 1 3 309.420 2.581 20 0 DFADHO CCN(CCN[C@H]1CC[N@@H+](CC)C[C@@H]1C)CCC(F)(F)F ZINC000426079365 429365407 /nfs/dbraw/zinc/36/54/07/429365407.db2.gz PEWKBNCQEIEDPA-KBPBESRZSA-N 1 3 309.420 2.581 20 0 DFADHO CC(C)c1nnc(CCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000426290606 429380959 /nfs/dbraw/zinc/38/09/59/429380959.db2.gz PSDCDAOKWFWRCN-MGPQQGTHSA-N 1 3 308.495 2.666 20 0 DFADHO CC(C)c1nnc(CCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000426290606 429380961 /nfs/dbraw/zinc/38/09/61/429380961.db2.gz PSDCDAOKWFWRCN-MGPQQGTHSA-N 1 3 308.495 2.666 20 0 DFADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000449319922 429385721 /nfs/dbraw/zinc/38/57/21/429385721.db2.gz HIZICZVIPSKLID-ROUUACIJSA-N 1 3 321.509 2.619 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000426385634 429387827 /nfs/dbraw/zinc/38/78/27/429387827.db2.gz PPTSKYDESGRKPV-KSZLIROESA-N 1 3 323.525 2.686 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000426385634 429387832 /nfs/dbraw/zinc/38/78/32/429387832.db2.gz PPTSKYDESGRKPV-KSZLIROESA-N 1 3 323.525 2.686 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449562031 429449894 /nfs/dbraw/zinc/44/98/94/429449894.db2.gz ZKAZWYJIWXAFKQ-RJCAOGMDSA-N 1 3 319.424 2.758 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449562031 429449896 /nfs/dbraw/zinc/44/98/96/429449896.db2.gz ZKAZWYJIWXAFKQ-RJCAOGMDSA-N 1 3 319.424 2.758 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@H](C)CCC[NH3+])cc1)C1CC1 ZINC000449571343 429451906 /nfs/dbraw/zinc/45/19/06/429451906.db2.gz JVRSIVBMZJWNSW-AWEZNQCLSA-N 1 3 303.450 2.528 20 0 DFADHO C[C@H](Cc1cnn(C)c1)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449584101 429456158 /nfs/dbraw/zinc/45/61/58/429456158.db2.gz JJPLZAJIMHPWTD-MDZRGWNJSA-N 1 3 318.509 2.984 20 0 DFADHO C[C@H](Cc1cnn(C)c1)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449584101 429456162 /nfs/dbraw/zinc/45/61/62/429456162.db2.gz JJPLZAJIMHPWTD-MDZRGWNJSA-N 1 3 318.509 2.984 20 0 DFADHO [NH3+]CC1(O)CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000518492443 429423579 /nfs/dbraw/zinc/42/35/79/429423579.db2.gz YNMQXSHKFQWWAM-UHFFFAOYSA-N 1 3 320.820 2.886 20 0 DFADHO CO[C@@H]1COCC[C@@H]1C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449462486 429425303 /nfs/dbraw/zinc/42/53/03/429425303.db2.gz VHTUOSKRJPMMFP-PSBWJHGTSA-N 1 3 324.509 2.671 20 0 DFADHO CCc1cccc(C[NH2+]CCCCN2CCN(CC)CC2)c1 ZINC000518780485 429434434 /nfs/dbraw/zinc/43/44/34/429434434.db2.gz QBXBDJHQGZMEHP-UHFFFAOYSA-N 1 3 303.494 2.756 20 0 DFADHO CN(C(=O)CN1CCCC2(CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000366866405 429529818 /nfs/dbraw/zinc/52/98/18/429529818.db2.gz QMRRNJDTFRDMQT-UHFFFAOYSA-N 1 3 321.509 2.585 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1)C1CC1 ZINC000449722337 429488049 /nfs/dbraw/zinc/48/80/49/429488049.db2.gz KPJZHPOGGLTHHZ-NVXWUHKLSA-N 1 3 315.461 2.528 20 0 DFADHO Cc1ccc(CN2CCCC2)cc1NC(=O)/C=C\C[NH+](C)C ZINC000492229952 429491649 /nfs/dbraw/zinc/49/16/49/429491649.db2.gz AAHVUJLRRPNSRB-SREVYHEPSA-N 1 3 301.434 2.647 20 0 DFADHO Cc1nc(C(C)C)oc1CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000428207070 429499489 /nfs/dbraw/zinc/49/94/89/429499489.db2.gz OMIWRLCBBZVSET-CQSZACIVSA-N 1 3 323.481 2.631 20 0 DFADHO C(CCN1CCO[C@H]2CCC[C@H]21)CC[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000366757784 429509255 /nfs/dbraw/zinc/50/92/55/429509255.db2.gz NHGVHQXZZAXYKL-YRXWBPOGSA-N 1 3 322.493 2.663 20 0 DFADHO C(CCN1CCO[C@H]2CCC[C@H]21)CC[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000366757784 429509259 /nfs/dbraw/zinc/50/92/59/429509259.db2.gz NHGVHQXZZAXYKL-YRXWBPOGSA-N 1 3 322.493 2.663 20 0 DFADHO CC[N@H+](CCNC(=O)[C@@H]1CCCCN1C1CCCC1)C(C)C ZINC000449838876 429523319 /nfs/dbraw/zinc/52/33/19/429523319.db2.gz JIYAAHBAKVVPDE-KRWDZBQOSA-N 1 3 309.498 2.630 20 0 DFADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCCN1C1CCCC1)C(C)C ZINC000449838876 429523321 /nfs/dbraw/zinc/52/33/21/429523321.db2.gz JIYAAHBAKVVPDE-KRWDZBQOSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)C[NH+]1CCCCC1 ZINC000521984635 429572600 /nfs/dbraw/zinc/57/26/00/429572600.db2.gz AXYYBDHTIOOXOF-CQSZACIVSA-N 1 3 316.449 2.533 20 0 DFADHO C[C@@H](c1ccccc1)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367117328 429580397 /nfs/dbraw/zinc/58/03/97/429580397.db2.gz NZDDJPBTGHXGFK-LPHOPBHVSA-N 1 3 301.478 2.848 20 0 DFADHO C[C@@H](c1ccccc1)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367117328 429580399 /nfs/dbraw/zinc/58/03/99/429580399.db2.gz NZDDJPBTGHXGFK-LPHOPBHVSA-N 1 3 301.478 2.848 20 0 DFADHO Cc1c([C@H](C)NCCC2=CC[NH2+]CC2)nnn1-c1ccccc1 ZINC000521026792 429535211 /nfs/dbraw/zinc/53/52/11/429535211.db2.gz OWAAZWOYSZLDIL-AWEZNQCLSA-N 1 3 311.433 2.536 20 0 DFADHO C[NH+]1CCC2(CCCN(C[C@H](O)c3c(F)cccc3F)C2)CC1 ZINC000366916942 429540124 /nfs/dbraw/zinc/54/01/24/429540124.db2.gz YFZBXGLNVSCYGE-INIZCTEOSA-N 1 3 324.415 2.806 20 0 DFADHO C[C@@H]1CC[C@H]([N@@H+](C)CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000429600592 429621285 /nfs/dbraw/zinc/62/12/85/429621285.db2.gz WIRFDMBVILPYKX-BPQIPLTHSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000450438099 429625489 /nfs/dbraw/zinc/62/54/89/429625489.db2.gz JWYDSTRZYDWBSN-QRQLOZEOSA-N 1 3 304.478 2.957 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000450438099 429625492 /nfs/dbraw/zinc/62/54/92/429625492.db2.gz JWYDSTRZYDWBSN-QRQLOZEOSA-N 1 3 304.478 2.957 20 0 DFADHO C[C@H](O)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450456783 429631101 /nfs/dbraw/zinc/63/11/01/429631101.db2.gz UKDIUACCQOYUMG-HKUYNNGSSA-N 1 3 302.462 2.745 20 0 DFADHO C[C@H](O)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450456783 429631105 /nfs/dbraw/zinc/63/11/05/429631105.db2.gz UKDIUACCQOYUMG-HKUYNNGSSA-N 1 3 302.462 2.745 20 0 DFADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000450463782 429632961 /nfs/dbraw/zinc/63/29/61/429632961.db2.gz SAZDGQOLVGESAR-ZIFCJYIRSA-N 1 3 304.478 2.815 20 0 DFADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000450463782 429632966 /nfs/dbraw/zinc/63/29/66/429632966.db2.gz SAZDGQOLVGESAR-ZIFCJYIRSA-N 1 3 304.478 2.815 20 0 DFADHO CCC[NH+]1CCC(N(C)C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450471603 429636455 /nfs/dbraw/zinc/63/64/55/429636455.db2.gz WIRGCNQSBLCVQF-LPHOPBHVSA-N 1 3 304.478 2.957 20 0 DFADHO CCc1ccc2nccc(N3CC[NH+](C[C@H](O)CC)CC3)c2c1 ZINC000450341629 429605269 /nfs/dbraw/zinc/60/52/69/429605269.db2.gz LOZBPGCIAHNDCV-MRXNPFEDSA-N 1 3 313.445 2.690 20 0 DFADHO Cc1cc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1CN(C)C ZINC000458265989 429610437 /nfs/dbraw/zinc/61/04/37/429610437.db2.gz OAEVDEHQHZFRBK-GJZGRUSLSA-N 1 3 303.450 2.725 20 0 DFADHO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1CN(C)C ZINC000458265989 429610438 /nfs/dbraw/zinc/61/04/38/429610438.db2.gz OAEVDEHQHZFRBK-GJZGRUSLSA-N 1 3 303.450 2.725 20 0 DFADHO Cc1nc2ccccc2c(NC[C@H]2CCC[N@@H+]2CCCO)c1C ZINC000450596606 429655620 /nfs/dbraw/zinc/65/56/20/429655620.db2.gz NMHCWIPTOIVALW-MRXNPFEDSA-N 1 3 313.445 2.532 20 0 DFADHO Cc1nc2ccccc2c(NC[C@H]2CCC[N@H+]2CCCO)c1C ZINC000450596606 429655627 /nfs/dbraw/zinc/65/56/27/429655627.db2.gz NMHCWIPTOIVALW-MRXNPFEDSA-N 1 3 313.445 2.532 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000262179397 276024268 /nfs/dbraw/zinc/02/42/68/276024268.db2.gz RTAWEYJQIXRRMW-CRAIPNDOSA-N 1 3 317.477 2.805 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000262179397 276024269 /nfs/dbraw/zinc/02/42/69/276024269.db2.gz RTAWEYJQIXRRMW-CRAIPNDOSA-N 1 3 317.477 2.805 20 0 DFADHO CC(C)n1cc2c(n1)C[C@H](N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000358287154 276084488 /nfs/dbraw/zinc/08/44/88/276084488.db2.gz IWDPROZZPLWYII-ZACQAIPSSA-N 1 3 302.466 2.538 20 0 DFADHO CC(C)n1cc2c(n1)C[C@H](N[C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000358287154 276084489 /nfs/dbraw/zinc/08/44/89/276084489.db2.gz IWDPROZZPLWYII-ZACQAIPSSA-N 1 3 302.466 2.538 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc2c(c1)CNC2 ZINC000316945031 276097978 /nfs/dbraw/zinc/09/79/78/276097978.db2.gz BTJHUZLGCIPERY-AWEZNQCLSA-N 1 3 303.450 2.530 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000525752070 429670589 /nfs/dbraw/zinc/67/05/89/429670589.db2.gz NYGIYERXXZDHNW-KRWDZBQOSA-N 1 3 323.525 2.830 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000525752070 429670596 /nfs/dbraw/zinc/67/05/96/429670596.db2.gz NYGIYERXXZDHNW-KRWDZBQOSA-N 1 3 323.525 2.830 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000367601821 429681887 /nfs/dbraw/zinc/68/18/87/429681887.db2.gz PRPQCXNFNJCABU-QAETUUGQSA-N 1 3 308.853 2.836 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H](O)c2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000367601821 429681891 /nfs/dbraw/zinc/68/18/91/429681891.db2.gz PRPQCXNFNJCABU-QAETUUGQSA-N 1 3 308.853 2.836 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](C)N2CCc3sccc3C2)[C@H](C)C1 ZINC000247185072 276229171 /nfs/dbraw/zinc/22/91/71/276229171.db2.gz ZLDXVJFBGIPANL-VYDXJSESSA-N 1 3 321.534 2.815 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](C)N2CCc3sccc3C2)[C@H](C)C1 ZINC000247185072 276229172 /nfs/dbraw/zinc/22/91/72/276229172.db2.gz ZLDXVJFBGIPANL-VYDXJSESSA-N 1 3 321.534 2.815 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C)[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000369849761 276229455 /nfs/dbraw/zinc/22/94/55/276229455.db2.gz CZRUFKMMAWWMOC-LEAZDLGRSA-N 1 3 315.505 2.999 20 0 DFADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1OC ZINC000367617317 429687290 /nfs/dbraw/zinc/68/72/90/429687290.db2.gz QIKALVPLUXDERH-ARFHVFGLSA-N 1 3 304.434 2.666 20 0 DFADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1OC ZINC000367617317 429687295 /nfs/dbraw/zinc/68/72/95/429687295.db2.gz QIKALVPLUXDERH-ARFHVFGLSA-N 1 3 304.434 2.666 20 0 DFADHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1OC ZINC000367617317 429687298 /nfs/dbraw/zinc/68/72/98/429687298.db2.gz QIKALVPLUXDERH-ARFHVFGLSA-N 1 3 304.434 2.666 20 0 DFADHO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000367681918 429699749 /nfs/dbraw/zinc/69/97/49/429699749.db2.gz DUSSSRTZCRRSHR-MJGOQNOKSA-N 1 3 307.526 2.772 20 0 DFADHO Cc1cc(C)cc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000367662128 429696035 /nfs/dbraw/zinc/69/60/35/429696035.db2.gz UUAQHBZODYDNHI-FQEVSTJZSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1cc(C)cc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000367662128 429696040 /nfs/dbraw/zinc/69/60/40/429696040.db2.gz UUAQHBZODYDNHI-FQEVSTJZSA-N 1 3 315.505 2.904 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCCOc2ccc(F)cc21 ZINC000165956576 276357924 /nfs/dbraw/zinc/35/79/24/276357924.db2.gz GWVNBKLDYUIPRV-NVXWUHKLSA-N 1 3 324.440 2.986 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430578341 429697394 /nfs/dbraw/zinc/69/73/94/429697394.db2.gz YLUXZRDCLJAKBE-QWHCGFSZSA-N 1 3 309.841 2.728 20 0 DFADHO CCC[C@H](NC(=O)[C@H](C)N1CCC(C[NH3+])CC1)c1ccccc1 ZINC000430611988 429702122 /nfs/dbraw/zinc/70/21/22/429702122.db2.gz QJAFBYQOINWBPP-YJBOKZPZSA-N 1 3 317.477 2.703 20 0 DFADHO Cc1cccc(N2CCN(CCCC[NH2+]CC3(F)CC3)CC2)c1 ZINC000526974773 429712632 /nfs/dbraw/zinc/71/26/32/429712632.db2.gz JIKKJJPFJBTMAY-UHFFFAOYSA-N 1 3 319.468 2.989 20 0 DFADHO FC1(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000526983720 429714521 /nfs/dbraw/zinc/71/45/21/429714521.db2.gz ASZFFALQADJGSF-UHFFFAOYSA-N 1 3 306.425 2.795 20 0 DFADHO C[C@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@@H](N)c1ccccc1 ZINC000430894318 429722019 /nfs/dbraw/zinc/72/20/19/429722019.db2.gz MKVWXEHDEHSVGE-XLMAVXFVSA-N 1 3 317.477 2.702 20 0 DFADHO CN(C(=[NH2+])NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000367809447 429722092 /nfs/dbraw/zinc/72/20/92/429722092.db2.gz GHASTMSWZZFZTJ-BBRMVZONSA-N 1 3 320.868 2.951 20 0 DFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)CC1(F)CC1 ZINC000527511475 429754638 /nfs/dbraw/zinc/75/46/38/429754638.db2.gz TYRWGAPIVLKABP-UHFFFAOYSA-N 1 3 311.489 2.617 20 0 DFADHO C[NH+](C)CCOc1ccc(CNC/C=C/c2ccncc2)cc1 ZINC000486962081 429757705 /nfs/dbraw/zinc/75/77/05/429757705.db2.gz CHQKGGQHKBKDCQ-ONEGZZNKSA-N 1 3 311.429 2.825 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000451070361 429762356 /nfs/dbraw/zinc/76/23/56/429762356.db2.gz OLYJJJJCVTVPDI-NZSAHSFTSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000451070361 429762359 /nfs/dbraw/zinc/76/23/59/429762359.db2.gz OLYJJJJCVTVPDI-NZSAHSFTSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000368051552 429774786 /nfs/dbraw/zinc/77/47/86/429774786.db2.gz NPRUBKIBVFYDCJ-SQNIBIBYSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000368051552 429774789 /nfs/dbraw/zinc/77/47/89/429774789.db2.gz NPRUBKIBVFYDCJ-SQNIBIBYSA-N 1 3 307.526 2.913 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368072734 429781631 /nfs/dbraw/zinc/78/16/31/429781631.db2.gz PZLKGTPZXTUKFV-OALUTQOASA-N 1 3 302.462 2.844 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368072734 429781635 /nfs/dbraw/zinc/78/16/35/429781635.db2.gz PZLKGTPZXTUKFV-OALUTQOASA-N 1 3 302.462 2.844 20 0 DFADHO FC(F)COCC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000368091222 429785896 /nfs/dbraw/zinc/78/58/96/429785896.db2.gz VXVBZSZPXJVFLO-IAGOWNOFSA-N 1 3 324.415 2.722 20 0 DFADHO FC(F)COCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000368091222 429785898 /nfs/dbraw/zinc/78/58/98/429785898.db2.gz VXVBZSZPXJVFLO-IAGOWNOFSA-N 1 3 324.415 2.722 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@]1(C)COc2ccccc2O1 ZINC000527930046 429822431 /nfs/dbraw/zinc/82/24/31/429822431.db2.gz HDKZRAHYTNKBRZ-ATNYBXOESA-N 1 3 304.434 2.535 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@]1(C)COc2ccccc2O1 ZINC000527930046 429822436 /nfs/dbraw/zinc/82/24/36/429822436.db2.gz HDKZRAHYTNKBRZ-ATNYBXOESA-N 1 3 304.434 2.535 20 0 DFADHO C[C@]1(C[NH2+]C2CCN(CC3CC3)CC2)COc2ccccc2O1 ZINC000527932267 429823146 /nfs/dbraw/zinc/82/31/46/429823146.db2.gz LNMYPDSLIOBWBE-IBGZPJMESA-N 1 3 316.445 2.681 20 0 DFADHO CN1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000527952039 429826952 /nfs/dbraw/zinc/82/69/52/429826952.db2.gz SRXFDEVIUNSMJU-RDGPPVDQSA-N 1 3 305.510 2.856 20 0 DFADHO CCC[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C(C)(C)C ZINC000451430681 429829480 /nfs/dbraw/zinc/82/94/80/429829480.db2.gz DHUFENANAXFFLI-INIZCTEOSA-N 1 3 309.498 2.534 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC45CC(C4)CO5)[C@H]3C2)cc1 ZINC000527982095 429830589 /nfs/dbraw/zinc/83/05/89/429830589.db2.gz QLNPWSLBZAAEJN-URTMOLNLSA-N 1 3 312.457 2.666 20 0 DFADHO CCC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccnc1 ZINC000368330026 429832032 /nfs/dbraw/zinc/83/20/32/429832032.db2.gz VIOBXJIFWIRYCZ-PKOBYXMFSA-N 1 3 316.493 2.681 20 0 DFADHO OC1CC(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000528016498 429837561 /nfs/dbraw/zinc/83/75/61/429837561.db2.gz ASCNVVWGXRSWEU-KMMPOOCJSA-N 1 3 314.473 2.648 20 0 DFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2COC2)ccc1OC ZINC000528028308 429838766 /nfs/dbraw/zinc/83/87/66/429838766.db2.gz VZHFSZPYPPXQSQ-CQSZACIVSA-N 1 3 306.450 2.834 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC4COC4)[C@@H]3C2)cc1 ZINC000528027408 429838994 /nfs/dbraw/zinc/83/89/94/429838994.db2.gz SWKDCIZXVIDWIB-OTWHNJEPSA-N 1 3 300.446 2.523 20 0 DFADHO C[N@@H+]1CC[C@H](CNCc2c[nH]c3nccnc23)[C@H]1c1ccccc1 ZINC000368229056 429813493 /nfs/dbraw/zinc/81/34/93/429813493.db2.gz SOWNCOIQQPYMAT-CRAIPNDOSA-N 1 3 321.428 2.692 20 0 DFADHO C[N@H+]1CC[C@H](CNCc2c[nH]c3nccnc23)[C@H]1c1ccccc1 ZINC000368229056 429813496 /nfs/dbraw/zinc/81/34/96/429813496.db2.gz SOWNCOIQQPYMAT-CRAIPNDOSA-N 1 3 321.428 2.692 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000528512755 429895255 /nfs/dbraw/zinc/89/52/55/429895255.db2.gz NFUQFHJHFJHENZ-RTBURBONSA-N 1 3 320.452 2.801 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000528512755 429895257 /nfs/dbraw/zinc/89/52/57/429895257.db2.gz NFUQFHJHFJHENZ-RTBURBONSA-N 1 3 320.452 2.801 20 0 DFADHO CO[C@@H](C[N@@H+]1CCC[C@]2(CCN(C)C2)C1)c1ccc(F)cc1 ZINC000528519709 429896175 /nfs/dbraw/zinc/89/61/75/429896175.db2.gz VTFZTBWIRHDPDK-ZWKOTPCHSA-N 1 3 306.425 2.931 20 0 DFADHO CO[C@@H](C[N@H+]1CCC[C@]2(CCN(C)C2)C1)c1ccc(F)cc1 ZINC000528519709 429896176 /nfs/dbraw/zinc/89/61/76/429896176.db2.gz VTFZTBWIRHDPDK-ZWKOTPCHSA-N 1 3 306.425 2.931 20 0 DFADHO CCc1noc(-c2ccc(CCN[C@@H]3CCC[C@H]([NH3+])C3)cc2)n1 ZINC000573505697 429958945 /nfs/dbraw/zinc/95/89/45/429958945.db2.gz LEIXWBREKSFMHN-JKSUJKDBSA-N 1 3 314.433 2.701 20 0 DFADHO CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCC[C@H](N)C3)cc2)n1 ZINC000573505697 429958950 /nfs/dbraw/zinc/95/89/50/429958950.db2.gz LEIXWBREKSFMHN-JKSUJKDBSA-N 1 3 314.433 2.701 20 0 DFADHO COc1c(C)cnc(CN2CCC3(C2)CC[NH+](C)CC3)c1C ZINC000639758276 429972911 /nfs/dbraw/zinc/97/29/11/429972911.db2.gz SJKZKJWHGVBXRS-UHFFFAOYSA-N 1 3 303.450 2.625 20 0 DFADHO CC(=O)N1CC[C@@H]([NH2+]CC2(N)CCCCC2)c2ccccc2C1 ZINC000573711428 429974645 /nfs/dbraw/zinc/97/46/45/429974645.db2.gz SJMDIBJZHZCJGC-GOSISDBHSA-N 1 3 315.461 2.731 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000631258873 429981528 /nfs/dbraw/zinc/98/15/28/429981528.db2.gz DIHJJAYGNWGICZ-UFYCRDLUSA-N 1 3 313.489 2.786 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000631258873 429981531 /nfs/dbraw/zinc/98/15/31/429981531.db2.gz DIHJJAYGNWGICZ-UFYCRDLUSA-N 1 3 313.489 2.786 20 0 DFADHO CSC[C@H](O)CNCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000574444303 430042632 /nfs/dbraw/zinc/04/26/32/430042632.db2.gz XDWJKTMMIKGKOW-MAUKXSAKSA-N 1 3 322.518 2.875 20 0 DFADHO CSC[C@H](O)CNCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000574444303 430042639 /nfs/dbraw/zinc/04/26/39/430042639.db2.gz XDWJKTMMIKGKOW-MAUKXSAKSA-N 1 3 322.518 2.875 20 0 DFADHO CCNCCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000574440920 430042827 /nfs/dbraw/zinc/04/28/27/430042827.db2.gz UISHGJGBAQMPTB-UHFFFAOYSA-N 1 3 323.868 2.534 20 0 DFADHO CC[NH2+]CCCNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000574440920 430042831 /nfs/dbraw/zinc/04/28/31/430042831.db2.gz UISHGJGBAQMPTB-UHFFFAOYSA-N 1 3 323.868 2.534 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000634723659 430089587 /nfs/dbraw/zinc/08/95/87/430089587.db2.gz AGUSFAQSFRDAKK-QXCFHYIPSA-N 1 3 302.462 2.648 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000530226143 430105985 /nfs/dbraw/zinc/10/59/85/430105985.db2.gz PXORYXYERMCMPF-YQYZPQCESA-N 1 3 308.441 2.688 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000530226143 430105988 /nfs/dbraw/zinc/10/59/88/430105988.db2.gz PXORYXYERMCMPF-YQYZPQCESA-N 1 3 308.441 2.688 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000530226143 430105990 /nfs/dbraw/zinc/10/59/90/430105990.db2.gz PXORYXYERMCMPF-YQYZPQCESA-N 1 3 308.441 2.688 20 0 DFADHO COc1ccccc1OCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000560514801 430051697 /nfs/dbraw/zinc/05/16/97/430051697.db2.gz YPOMLEUJPRWQDI-BZUAXINKSA-N 1 3 304.434 2.536 20 0 DFADHO COc1ccccc1OCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000560514801 430051700 /nfs/dbraw/zinc/05/17/00/430051700.db2.gz YPOMLEUJPRWQDI-BZUAXINKSA-N 1 3 304.434 2.536 20 0 DFADHO COc1ccccc1OCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000560514801 430051703 /nfs/dbraw/zinc/05/17/03/430051703.db2.gz YPOMLEUJPRWQDI-BZUAXINKSA-N 1 3 304.434 2.536 20 0 DFADHO C[C@H](C[NH3+])CN[C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000560942850 430072216 /nfs/dbraw/zinc/07/22/16/430072216.db2.gz VWZOBEJHUCKCBI-MNOVXSKESA-N 1 3 317.355 2.607 20 0 DFADHO C[C@H](CN)C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000560942850 430072220 /nfs/dbraw/zinc/07/22/20/430072220.db2.gz VWZOBEJHUCKCBI-MNOVXSKESA-N 1 3 317.355 2.607 20 0 DFADHO O[C@@]1(CN[C@@H]2C[C@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634712364 430086485 /nfs/dbraw/zinc/08/64/85/430086485.db2.gz DRBXLUMTVMLBFA-PWRODBHTSA-N 1 3 322.452 2.769 20 0 DFADHO O[C@@]1(CN[C@@H]2C[C@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712364 430086488 /nfs/dbraw/zinc/08/64/88/430086488.db2.gz DRBXLUMTVMLBFA-PWRODBHTSA-N 1 3 322.452 2.769 20 0 DFADHO CC(C)[NH2+]CCCNC1CCN(c2ccc(F)cc2F)CC1 ZINC000581125256 430179477 /nfs/dbraw/zinc/17/94/77/430179477.db2.gz AUPNFHFIKZLVEA-UHFFFAOYSA-N 1 3 311.420 2.911 20 0 DFADHO CC(C)NCCC[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000581125256 430179482 /nfs/dbraw/zinc/17/94/82/430179482.db2.gz AUPNFHFIKZLVEA-UHFFFAOYSA-N 1 3 311.420 2.911 20 0 DFADHO CC[NH+]1CCC(CNC(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000562658092 430161098 /nfs/dbraw/zinc/16/10/98/430161098.db2.gz SYUAYARWVYWDDN-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO [NH3+][C@H]1CCCCC[C@@H]1NCC1(CO)CC(c2ccccc2)C1 ZINC000580946275 430163823 /nfs/dbraw/zinc/16/38/23/430163823.db2.gz TYULXPHKKVCOFR-YBXZHIRMSA-N 1 3 302.462 2.792 20 0 DFADHO CC(C)(CNCCC(=O)Nc1ccccc1)C[NH+]1CCCC1 ZINC000581066634 430174065 /nfs/dbraw/zinc/17/40/65/430174065.db2.gz GBDXUBLJSWYDCL-UHFFFAOYSA-N 1 3 303.450 2.727 20 0 DFADHO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1)CN1CCCC1 ZINC000581066634 430174070 /nfs/dbraw/zinc/17/40/70/430174070.db2.gz GBDXUBLJSWYDCL-UHFFFAOYSA-N 1 3 303.450 2.727 20 0 DFADHO Cc1ccccc1[C@H]([C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1)N(C)C ZINC000580550879 430133995 /nfs/dbraw/zinc/13/39/95/430133995.db2.gz BJDFAOXRPMBLAZ-DWRORGKVSA-N 1 3 303.494 2.964 20 0 DFADHO Cc1ccccc1[C@H]([C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1)N(C)C ZINC000580550877 430134372 /nfs/dbraw/zinc/13/43/72/430134372.db2.gz BJDFAOXRPMBLAZ-BMFAXAFESA-N 1 3 303.494 2.964 20 0 DFADHO Nc1ccc(-c2cccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000634991390 430185726 /nfs/dbraw/zinc/18/57/26/430185726.db2.gz CCTBNAHATFNCDE-IPELMVKDSA-N 1 3 322.456 2.890 20 0 DFADHO CN1CCCN(CCC[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000128591672 277051587 /nfs/dbraw/zinc/05/15/87/277051587.db2.gz JBIBMBBEMSGSJJ-GOSISDBHSA-N 1 3 321.896 2.945 20 0 DFADHO COc1cccc(C2(C[NH2+]CC34CC(C3)CN4)CCCC2)c1 ZINC000634996020 430187344 /nfs/dbraw/zinc/18/73/44/430187344.db2.gz WQBRWTXMDSSUND-UHFFFAOYSA-N 1 3 300.446 2.849 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN([C@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21 ZINC000271252643 277069863 /nfs/dbraw/zinc/06/98/63/277069863.db2.gz FWYBISBXNWNNKW-AABGKKOBSA-N 1 3 313.489 2.677 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN([C@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21 ZINC000271252643 277069864 /nfs/dbraw/zinc/06/98/64/277069864.db2.gz FWYBISBXNWNNKW-AABGKKOBSA-N 1 3 313.489 2.677 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](N)Cc2ccccc2)C12CCC2 ZINC000635007977 430194727 /nfs/dbraw/zinc/19/47/27/430194727.db2.gz QMOBBEKQZBUZPN-FGTMMUONSA-N 1 3 302.462 2.884 20 0 DFADHO CCO[C@@H]1C[C@H](NCC[C@@H]([NH3+])Cc2ccccc2)C12CCC2 ZINC000635007977 430194730 /nfs/dbraw/zinc/19/47/30/430194730.db2.gz QMOBBEKQZBUZPN-FGTMMUONSA-N 1 3 302.462 2.884 20 0 DFADHO C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cnccc1N ZINC000635002995 430191052 /nfs/dbraw/zinc/19/10/52/430191052.db2.gz DEMCJLXYHVSTGW-XYJFISCASA-N 1 3 324.472 2.913 20 0 DFADHO C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cnccc1N ZINC000635002995 430191057 /nfs/dbraw/zinc/19/10/57/430191057.db2.gz DEMCJLXYHVSTGW-XYJFISCASA-N 1 3 324.472 2.913 20 0 DFADHO Fc1cccc2c1CC[C@@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007645 430193138 /nfs/dbraw/zinc/19/31/38/430193138.db2.gz FUZHAUPHZPJZIF-KRWDZBQOSA-N 1 3 312.392 2.730 20 0 DFADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000635012449 430196393 /nfs/dbraw/zinc/19/63/93/430196393.db2.gz UCCMLKHPQDQEJF-HOCLYGCPSA-N 1 3 313.449 2.696 20 0 DFADHO COc1ccc(COCCC[NH2+][C@@H](C)[C@H]2CCCNC2)cc1 ZINC000581304658 430197930 /nfs/dbraw/zinc/19/79/30/430197930.db2.gz VKYVKVQZVMDXDM-RDJZCZTQSA-N 1 3 306.450 2.580 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000635013081 430198263 /nfs/dbraw/zinc/19/82/63/430198263.db2.gz BYNROGBEUITKHM-DZJNRPSUSA-N 1 3 322.880 2.926 20 0 DFADHO FCCC[C@@H]1CCC[C@@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012862 430198638 /nfs/dbraw/zinc/19/86/38/430198638.db2.gz WIEMKXPBRRAVHB-HOCLYGCPSA-N 1 3 306.429 2.822 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccccc2OC(F)(F)F)C1 ZINC000581439703 430209818 /nfs/dbraw/zinc/20/98/18/430209818.db2.gz FLDDFJDGXUSCHN-CHWSQXEVSA-N 1 3 302.340 2.987 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC000581439703 430209825 /nfs/dbraw/zinc/20/98/25/430209825.db2.gz FLDDFJDGXUSCHN-CHWSQXEVSA-N 1 3 302.340 2.987 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(CC(C)C)C2)[C@@H]1C ZINC000354571130 277326187 /nfs/dbraw/zinc/32/61/87/277326187.db2.gz LKHLSAAWQKCDCV-OWSLCNJRSA-N 1 3 324.509 2.922 20 0 DFADHO CC(C)C(=O)N1CCC(N[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000262298572 277328099 /nfs/dbraw/zinc/32/80/99/277328099.db2.gz OICCCLVAQOYVPE-DOTOQJQBSA-N 1 3 309.498 2.534 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000638053099 430221128 /nfs/dbraw/zinc/22/11/28/430221128.db2.gz GMDMZKYKYJMCJG-GOSISDBHSA-N 1 3 317.477 2.662 20 0 DFADHO C[C@@H](NCC1CC[NH2+]CC1)c1ncc(Br)s1 ZINC000565710383 430222862 /nfs/dbraw/zinc/22/28/62/430222862.db2.gz MBCXEGFLGOBITB-MRVPVSSYSA-N 1 3 304.257 2.556 20 0 DFADHO CC(C)C[N@@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000369926886 277389646 /nfs/dbraw/zinc/38/96/46/277389646.db2.gz LZBBBIORSXUDFW-UHFFFAOYSA-N 1 3 317.477 2.552 20 0 DFADHO CC(C)C[N@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000369926886 277389647 /nfs/dbraw/zinc/38/96/47/277389647.db2.gz LZBBBIORSXUDFW-UHFFFAOYSA-N 1 3 317.477 2.552 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)CN(C)CC(C)(C)C)C1 ZINC000635324254 430254362 /nfs/dbraw/zinc/25/43/62/430254362.db2.gz GFBIGZRZHPIVAW-INIZCTEOSA-N 1 3 311.514 2.593 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)CN(C)CC(C)(C)C)C1 ZINC000635324254 430254366 /nfs/dbraw/zinc/25/43/66/430254366.db2.gz GFBIGZRZHPIVAW-INIZCTEOSA-N 1 3 311.514 2.593 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000567179969 430279707 /nfs/dbraw/zinc/27/97/07/430279707.db2.gz ZWHLHWXWPUMAFV-CHWSQXEVSA-N 1 3 310.825 2.513 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000567179969 430279713 /nfs/dbraw/zinc/27/97/13/430279713.db2.gz ZWHLHWXWPUMAFV-CHWSQXEVSA-N 1 3 310.825 2.513 20 0 DFADHO COCC[C@@H](Cc1ccco1)NC1CC[NH+](CC2CC2)CC1 ZINC000544368659 430279992 /nfs/dbraw/zinc/27/99/92/430279992.db2.gz PWOYROJVYPNHDL-KRWDZBQOSA-N 1 3 306.450 2.691 20 0 DFADHO CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000638083896 430230748 /nfs/dbraw/zinc/23/07/48/430230748.db2.gz OWMQUSLYEAEOGA-NXHRZFHOSA-N 1 3 317.477 2.702 20 0 DFADHO CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000638083898 430231018 /nfs/dbraw/zinc/23/10/18/430231018.db2.gz OWMQUSLYEAEOGA-SZMVWBNQSA-N 1 3 317.477 2.702 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000638102404 430238049 /nfs/dbraw/zinc/23/80/49/430238049.db2.gz USILEIWAAZRBHM-ZWKOTPCHSA-N 1 3 323.525 2.865 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC000566109301 430240410 /nfs/dbraw/zinc/24/04/10/430240410.db2.gz OMWFOTFUBJWZED-HNNXBMFYSA-N 1 3 321.440 2.864 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC000566109301 430240415 /nfs/dbraw/zinc/24/04/15/430240415.db2.gz OMWFOTFUBJWZED-HNNXBMFYSA-N 1 3 321.440 2.864 20 0 DFADHO CC(C)N1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000566109301 430240419 /nfs/dbraw/zinc/24/04/19/430240419.db2.gz OMWFOTFUBJWZED-HNNXBMFYSA-N 1 3 321.440 2.864 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC000566109302 430240626 /nfs/dbraw/zinc/24/06/26/430240626.db2.gz OMWFOTFUBJWZED-OAHLLOKOSA-N 1 3 321.440 2.864 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC000566109302 430240630 /nfs/dbraw/zinc/24/06/30/430240630.db2.gz OMWFOTFUBJWZED-OAHLLOKOSA-N 1 3 321.440 2.864 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000566109302 430240634 /nfs/dbraw/zinc/24/06/34/430240634.db2.gz OMWFOTFUBJWZED-OAHLLOKOSA-N 1 3 321.440 2.864 20 0 DFADHO CCN1CCN(c2ccccc2N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000582295397 430286634 /nfs/dbraw/zinc/28/66/34/430286634.db2.gz HBXUDVRCLQLLJC-DLBZAZTESA-N 1 3 316.493 2.629 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000582369544 430294051 /nfs/dbraw/zinc/29/40/51/430294051.db2.gz OQKIQPDVJOGDAF-HZPDHXFCSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@H](C[C@H]1CCCC(=O)N1)NCCC[N@H+](C)C1CCCCC1 ZINC000638299933 430298055 /nfs/dbraw/zinc/29/80/55/430298055.db2.gz FOPZCCVVSPPGJR-HZPDHXFCSA-N 1 3 309.498 2.678 20 0 DFADHO C[C@H](C[C@H]1CCCC(=O)N1)NCCC[N@@H+](C)C1CCCCC1 ZINC000638299933 430298058 /nfs/dbraw/zinc/29/80/58/430298058.db2.gz FOPZCCVVSPPGJR-HZPDHXFCSA-N 1 3 309.498 2.678 20 0 DFADHO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCN(C)C1CCCCC1 ZINC000638299933 430298062 /nfs/dbraw/zinc/29/80/62/430298062.db2.gz FOPZCCVVSPPGJR-HZPDHXFCSA-N 1 3 309.498 2.678 20 0 DFADHO c1ccc(N2CC[C@@H](C[NH2+]CCCN3CCCCC3)C2)cc1 ZINC000638306609 430298660 /nfs/dbraw/zinc/29/86/60/430298660.db2.gz FFSNCBRCLSXYQE-SFHVURJKSA-N 1 3 301.478 2.979 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCC[C@H]2C)[C@]12CCCO2 ZINC000638302678 430299059 /nfs/dbraw/zinc/29/90/59/430299059.db2.gz KWOYSOWWCRLULH-BRSBDYLESA-N 1 3 310.482 2.567 20 0 DFADHO Cc1ccc(SCCNC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638304993 430299601 /nfs/dbraw/zinc/29/96/01/430299601.db2.gz OELNTFWAHQODFO-UHFFFAOYSA-N 1 3 322.518 2.912 20 0 DFADHO C[NH+](C)CC1(CNC[C@@H](O)CCc2ccccc2)CCCC1 ZINC000582482559 430304463 /nfs/dbraw/zinc/30/44/63/430304463.db2.gz IUDNXLLOQRLFMN-SFHVURJKSA-N 1 3 304.478 2.692 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000568275067 430342580 /nfs/dbraw/zinc/34/25/80/430342580.db2.gz QRLOKGSBZVYCIA-NUJGCVRESA-N 1 3 323.525 2.863 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000568275067 430342583 /nfs/dbraw/zinc/34/25/83/430342583.db2.gz QRLOKGSBZVYCIA-NUJGCVRESA-N 1 3 323.525 2.863 20 0 DFADHO CO[C@H](CNC1CC[NH+](CC2CCCC2)CC1)C1CCOCC1 ZINC000638454194 430347363 /nfs/dbraw/zinc/34/73/63/430347363.db2.gz LRSKFPNLQPJEMG-LJQANCHMSA-N 1 3 324.509 2.672 20 0 DFADHO CO[C@H](C[NH2+]C1CCN(CC2CCCC2)CC1)C1CCOCC1 ZINC000638454194 430347368 /nfs/dbraw/zinc/34/73/68/430347368.db2.gz LRSKFPNLQPJEMG-LJQANCHMSA-N 1 3 324.509 2.672 20 0 DFADHO CCC[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)OC ZINC000638721020 430416705 /nfs/dbraw/zinc/41/67/05/430416705.db2.gz VLMPAGKOPJGSFF-IBGZPJMESA-N 1 3 320.477 2.548 20 0 DFADHO Cc1ccc(CN2CCCC2)cc1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635713245 430356403 /nfs/dbraw/zinc/35/64/03/430356403.db2.gz ZVSTYEGVMZTUPV-KRWDZBQOSA-N 1 3 315.461 2.871 20 0 DFADHO Cc1ccc(CN2CCCC2)cc1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635713245 430356405 /nfs/dbraw/zinc/35/64/05/430356405.db2.gz ZVSTYEGVMZTUPV-KRWDZBQOSA-N 1 3 315.461 2.871 20 0 DFADHO CO[C@@](C)(C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000638521278 430366045 /nfs/dbraw/zinc/36/60/45/430366045.db2.gz FBPUQDMFUZGSMM-ICSRJNTNSA-N 1 3 316.489 2.956 20 0 DFADHO CO[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000638521655 430367801 /nfs/dbraw/zinc/36/78/01/430367801.db2.gz NPEYHMQIANXLJW-MJGOQNOKSA-N 1 3 302.462 2.566 20 0 DFADHO CO[C@@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521655 430367803 /nfs/dbraw/zinc/36/78/03/430367803.db2.gz NPEYHMQIANXLJW-MJGOQNOKSA-N 1 3 302.462 2.566 20 0 DFADHO CO[C@@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521655 430367808 /nfs/dbraw/zinc/36/78/08/430367808.db2.gz NPEYHMQIANXLJW-MJGOQNOKSA-N 1 3 302.462 2.566 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000583257115 430377163 /nfs/dbraw/zinc/37/71/63/430377163.db2.gz HBNDEKZUQUTRNM-CVYDXHPNSA-N 1 3 320.481 2.541 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(F)c2N)[C@@H](C)C1 ZINC000638595371 430382752 /nfs/dbraw/zinc/38/27/52/430382752.db2.gz RNXGMKTUHINHGQ-YOEHRIQHSA-N 1 3 323.456 2.635 20 0 DFADHO CO[C@]1(CNCC(C)(C)[NH2+][C@H](C)c2ccccc2)CCOC1 ZINC000638600576 430385390 /nfs/dbraw/zinc/38/53/90/430385390.db2.gz CNLZYCYVOFOPLA-QAPCUYQASA-N 1 3 306.450 2.511 20 0 DFADHO CC(C)c1nc([C@@H](C)NCCCC[NH+]2CCN(C)CC2)cs1 ZINC000547399732 430390837 /nfs/dbraw/zinc/39/08/37/430390837.db2.gz PUTLSQSUKCEAIV-OAHLLOKOSA-N 1 3 324.538 2.945 20 0 DFADHO CC[C@H](C)[C@H]1CCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000583557710 430407013 /nfs/dbraw/zinc/40/70/13/430407013.db2.gz XFCYRFAJEHMFRH-FUHWJXTLSA-N 1 3 323.525 2.876 20 0 DFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1CCCCN1C(C)C ZINC000569360883 430448672 /nfs/dbraw/zinc/44/86/72/430448672.db2.gz YROWNSLJVVMWJN-MSOLQXFVSA-N 1 3 317.477 2.628 20 0 DFADHO CN1CCC(C[NH2+][C@@H]2CCCC23CC3)(N2CCCCC2)CC1 ZINC000584005228 430449912 /nfs/dbraw/zinc/44/99/12/430449912.db2.gz LWAYNCONYMXBEU-QGZVFWFLSA-N 1 3 305.510 2.859 20 0 DFADHO Nc1cnccc1C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000641713167 430450332 /nfs/dbraw/zinc/45/03/32/430450332.db2.gz QBXKZNQFMVAHKK-KRWDZBQOSA-N 1 3 310.445 2.666 20 0 DFADHO CC1(C)[C@H]([NH2+]CCOc2cccc(Br)c2)C[C@@H]1N ZINC000641802598 430476217 /nfs/dbraw/zinc/47/62/17/430476217.db2.gz NIBPLJBVNIVZNE-QWHCGFSZSA-N 1 3 313.239 2.543 20 0 DFADHO CC1(C)[C@H]([NH2+]CCOc2ccc(Br)cc2)C[C@@H]1N ZINC000641806844 430478273 /nfs/dbraw/zinc/47/82/73/430478273.db2.gz RRIACEAYZCWLFB-QWHCGFSZSA-N 1 3 313.239 2.543 20 0 DFADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000641803959 430478842 /nfs/dbraw/zinc/47/88/42/430478842.db2.gz WJFORBKOVBGRRO-STQMWFEESA-N 1 3 302.340 2.800 20 0 DFADHO CCCc1nc(C)c(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000641821563 430482692 /nfs/dbraw/zinc/48/26/92/430482692.db2.gz LOXSYYXQUPEYRU-XHSDSOJGSA-N 1 3 321.465 2.796 20 0 DFADHO CN(CCCC[NH+]1CCCCC1)C(=O)Nc1cccc(CN)c1 ZINC000641817078 430482920 /nfs/dbraw/zinc/48/29/20/430482920.db2.gz CVBOIXHVHIANDV-UHFFFAOYSA-N 1 3 318.465 2.875 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C(C)(C)n1cncn1 ZINC000638969771 430483574 /nfs/dbraw/zinc/48/35/74/430483574.db2.gz IOQLTGDTESUQMR-ARFHVFGLSA-N 1 3 319.497 2.644 20 0 DFADHO CN(C)C[C@H]1CCCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000569910558 430497136 /nfs/dbraw/zinc/49/71/36/430497136.db2.gz RMILDQXHHCNDMW-MSOLQXFVSA-N 1 3 317.477 2.622 20 0 DFADHO CCN1CCN(c2cccc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC000639057342 430505001 /nfs/dbraw/zinc/50/50/01/430505001.db2.gz MUJISZUWOINFBB-FUHWJXTLSA-N 1 3 316.493 2.723 20 0 DFADHO CCN1CCN(c2cccc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000639057342 430505005 /nfs/dbraw/zinc/50/50/05/430505005.db2.gz MUJISZUWOINFBB-FUHWJXTLSA-N 1 3 316.493 2.723 20 0 DFADHO CC[NH+](CC)CCOCCNCc1cc2ccccc2n1C ZINC000639064244 430509615 /nfs/dbraw/zinc/50/96/15/430509615.db2.gz ZLVGFBYJRMKMTH-UHFFFAOYSA-N 1 3 303.450 2.626 20 0 DFADHO Cn1cc(CCCNC(C)(C)CC[NH+]2CCCCCC2)cn1 ZINC000639065509 430509858 /nfs/dbraw/zinc/50/98/58/430509858.db2.gz IFAUWFGXRUHZES-UHFFFAOYSA-N 1 3 306.498 2.987 20 0 DFADHO Cn1cc(CCC[NH2+]C(C)(C)CCN2CCCCCC2)cn1 ZINC000639065509 430509862 /nfs/dbraw/zinc/50/98/62/430509862.db2.gz IFAUWFGXRUHZES-UHFFFAOYSA-N 1 3 306.498 2.987 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000548918373 430511061 /nfs/dbraw/zinc/51/10/61/430511061.db2.gz PRKPXAROWRTJRG-ROUUACIJSA-N 1 3 324.509 2.911 20 0 DFADHO C[C@H](C(=O)N1CC[C@H](C[NH3+])c2ccccc21)[C@@H](N)c1ccccc1 ZINC000639069617 430511164 /nfs/dbraw/zinc/51/11/64/430511164.db2.gz YUCLZCSIYGSGGZ-ZSZQSSIHSA-N 1 3 323.440 2.802 20 0 DFADHO CC(C)C[C@H](CNC(=O)[C@@H](N)C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000570160022 430518515 /nfs/dbraw/zinc/51/85/15/430518515.db2.gz UOEPXNHVGOJHRU-JQHSSLGASA-N 1 3 319.493 2.851 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@H]1CCCNC1 ZINC000570792549 430576862 /nfs/dbraw/zinc/57/68/62/430576862.db2.gz KCOZRLAXSSLFMN-KBPBESRZSA-N 1 3 304.434 2.671 20 0 DFADHO C[C@H](NCC(C)(C)c1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]C1 ZINC000570792549 430576867 /nfs/dbraw/zinc/57/68/67/430576867.db2.gz KCOZRLAXSSLFMN-KBPBESRZSA-N 1 3 304.434 2.671 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000552005046 430577144 /nfs/dbraw/zinc/57/71/44/430577144.db2.gz JJPPBSKCORGQNB-FGTMMUONSA-N 1 3 323.525 2.545 20 0 DFADHO CC(C)CN1CCCC[C@@H]1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000552062659 430583870 /nfs/dbraw/zinc/58/38/70/430583870.db2.gz CGDHHUSETGNKCB-NCXUSEDFSA-N 1 3 307.526 2.959 20 0 DFADHO C[NH+](C)CCOCCN[C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000570896408 430587203 /nfs/dbraw/zinc/58/72/03/430587203.db2.gz KBRNMCBCRVTZBE-GOSISDBHSA-N 1 3 318.461 2.557 20 0 DFADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(=O)N1CCCCCC1 ZINC000552336417 430594114 /nfs/dbraw/zinc/59/41/14/430594114.db2.gz CJIPCHKADLFYCZ-SJORKVTESA-N 1 3 309.498 2.632 20 0 DFADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(=O)N1CCCCCC1 ZINC000552336417 430594117 /nfs/dbraw/zinc/59/41/17/430594117.db2.gz CJIPCHKADLFYCZ-SJORKVTESA-N 1 3 309.498 2.632 20 0 DFADHO C[NH+](C)CCCCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000552381215 430595323 /nfs/dbraw/zinc/59/53/23/430595323.db2.gz ANNVLKOLDFJOHX-OAHLLOKOSA-N 1 3 323.506 2.733 20 0 DFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)sn1 ZINC000639286123 430598165 /nfs/dbraw/zinc/59/81/65/430598165.db2.gz OLCFHPQLRMALMP-WBVHZDCISA-N 1 3 301.459 2.887 20 0 DFADHO CC[N@H+](CCCNCCCc1cnn(C)c1)C1CCCCC1 ZINC000639291691 430599954 /nfs/dbraw/zinc/59/99/54/430599954.db2.gz SJYXUTQBSYIKEN-UHFFFAOYSA-N 1 3 306.498 2.987 20 0 DFADHO CC[N@@H+](CCCNCCCc1cnn(C)c1)C1CCCCC1 ZINC000639291691 430599956 /nfs/dbraw/zinc/59/99/56/430599956.db2.gz SJYXUTQBSYIKEN-UHFFFAOYSA-N 1 3 306.498 2.987 20 0 DFADHO COc1cccc([C@H](CN[C@H]2CCC[C@H]([NH3+])C2)N2CCCC2)c1 ZINC000571821144 430654844 /nfs/dbraw/zinc/65/48/44/430654844.db2.gz NIMAUVMKMUTQFX-LNLFQRSKSA-N 1 3 317.477 2.692 20 0 DFADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000639518340 430660352 /nfs/dbraw/zinc/66/03/52/430660352.db2.gz FEGUCVLRAVRLLH-LPHOPBHVSA-N 1 3 300.446 2.675 20 0 DFADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000639518340 430660355 /nfs/dbraw/zinc/66/03/55/430660355.db2.gz FEGUCVLRAVRLLH-LPHOPBHVSA-N 1 3 300.446 2.675 20 0 DFADHO CN1CCC[C@H]2C[N@H+](Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000639518340 430660356 /nfs/dbraw/zinc/66/03/56/430660356.db2.gz FEGUCVLRAVRLLH-LPHOPBHVSA-N 1 3 300.446 2.675 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000639518340 430660358 /nfs/dbraw/zinc/66/03/58/430660358.db2.gz FEGUCVLRAVRLLH-LPHOPBHVSA-N 1 3 300.446 2.675 20 0 DFADHO C[C@H](NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000643453182 430602935 /nfs/dbraw/zinc/60/29/35/430602935.db2.gz MOHWEZFMSFBOHO-PMUMKWKESA-N 1 3 323.431 2.911 20 0 DFADHO C[C@H](NCCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]C1 ZINC000643458046 430604269 /nfs/dbraw/zinc/60/42/69/430604269.db2.gz ABMVQIFDEVZGOW-GJZGRUSLSA-N 1 3 316.424 2.532 20 0 DFADHO C[C@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000643462964 430604448 /nfs/dbraw/zinc/60/44/48/430604448.db2.gz UQHFBPUKQPDTNG-GUTXKFCHSA-N 1 3 309.404 2.521 20 0 DFADHO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CCCNC1 ZINC000643462964 430604452 /nfs/dbraw/zinc/60/44/52/430604452.db2.gz UQHFBPUKQPDTNG-GUTXKFCHSA-N 1 3 309.404 2.521 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1ccnn1C)C(C)C ZINC000643484331 430607140 /nfs/dbraw/zinc/60/71/40/430607140.db2.gz WFMOSJCWKSOADM-SUMWQHHRSA-N 1 3 315.465 2.673 20 0 DFADHO C[C@H]([NH2+]CC1(N)CCCCCC1)c1cccc(-n2ccnn2)c1 ZINC000643498687 430608368 /nfs/dbraw/zinc/60/83/68/430608368.db2.gz BAWHOYHLRGCQCN-HNNXBMFYSA-N 1 3 313.449 2.970 20 0 DFADHO CC(C)[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000643521830 430613196 /nfs/dbraw/zinc/61/31/96/430613196.db2.gz CPSCPVWCMDUGFW-CJNGLKHVSA-N 1 3 303.406 2.962 20 0 DFADHO COc1ccc2c(c1)[C@@H](N[C@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643534937 430613580 /nfs/dbraw/zinc/61/35/80/430613580.db2.gz FZOUSULWRAGPKF-RDJZCZTQSA-N 1 3 302.418 2.641 20 0 DFADHO CN(C)C1CC([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000571225200 430615027 /nfs/dbraw/zinc/61/50/27/430615027.db2.gz WIHRSPBLPDUZPN-UHFFFAOYSA-N 1 3 319.468 2.515 20 0 DFADHO FCCOCCN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639337246 430615126 /nfs/dbraw/zinc/61/51/26/430615126.db2.gz LEXAEKHMVYPALE-SJLPKXTDSA-N 1 3 306.425 2.930 20 0 DFADHO FCCOCCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639337246 430615128 /nfs/dbraw/zinc/61/51/28/430615128.db2.gz LEXAEKHMVYPALE-SJLPKXTDSA-N 1 3 306.425 2.930 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)CCCC[NH+](C)C)c1ccccc1 ZINC000554006017 430627073 /nfs/dbraw/zinc/62/70/73/430627073.db2.gz BANWJERNUIEEBV-INIZCTEOSA-N 1 3 319.493 2.964 20 0 DFADHO C[C@@H](c1ccccc1)[C@@H](O)CNCC1(C[NH+](C)C)CCCC1 ZINC000571517059 430632646 /nfs/dbraw/zinc/63/26/46/430632646.db2.gz BBTRERRUUPLKSW-WMZOPIPTSA-N 1 3 304.478 2.863 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CNCC1(C[NH+](C)C)CCCC1 ZINC000571517058 430633344 /nfs/dbraw/zinc/63/33/44/430633344.db2.gz BBTRERRUUPLKSW-SJLPKXTDSA-N 1 3 304.478 2.863 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571669463 430644319 /nfs/dbraw/zinc/64/43/19/430644319.db2.gz NJTALCOGAWJGAD-UONOGXRCSA-N 1 3 323.868 2.955 20 0 DFADHO C[C@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCCNC1 ZINC000571669466 430644435 /nfs/dbraw/zinc/64/44/35/430644435.db2.gz NMKZPKHXZJQDBF-JSGCOSHPSA-N 1 3 324.852 2.631 20 0 DFADHO C[C@H](NCCc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000571669466 430644437 /nfs/dbraw/zinc/64/44/37/430644437.db2.gz NMKZPKHXZJQDBF-JSGCOSHPSA-N 1 3 324.852 2.631 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3c2CCOC3)[C@@H](C)C1 ZINC000639531845 430664739 /nfs/dbraw/zinc/66/47/39/430664739.db2.gz BMZNUDNDEAMKDQ-HNAYVOBHSA-N 1 3 302.462 2.921 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc3c2CCOC3)[C@@H](C)C1 ZINC000639531845 430664741 /nfs/dbraw/zinc/66/47/41/430664741.db2.gz BMZNUDNDEAMKDQ-HNAYVOBHSA-N 1 3 302.462 2.921 20 0 DFADHO C[C@H]1OCC[C@H]1C[N@@H+](C)[C@H]1CCCN(C[C@H]2CCO[C@H]2C)CC1 ZINC000639546952 430668407 /nfs/dbraw/zinc/66/84/07/430668407.db2.gz NKLZOXVAABMZAJ-SPOLIRPYSA-N 1 3 324.509 2.623 20 0 DFADHO C[C@H]1OCC[C@H]1C[N@H+](C)[C@H]1CCCN(C[C@H]2CCO[C@H]2C)CC1 ZINC000639546952 430668408 /nfs/dbraw/zinc/66/84/08/430668408.db2.gz NKLZOXVAABMZAJ-SPOLIRPYSA-N 1 3 324.509 2.623 20 0 DFADHO C[C@H]1OCC[C@H]1CN(C)[C@H]1CCC[N@H+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639546952 430668410 /nfs/dbraw/zinc/66/84/10/430668410.db2.gz NKLZOXVAABMZAJ-SPOLIRPYSA-N 1 3 324.509 2.623 20 0 DFADHO C[C@H]1OCC[C@H]1CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639546952 430668411 /nfs/dbraw/zinc/66/84/11/430668411.db2.gz NKLZOXVAABMZAJ-SPOLIRPYSA-N 1 3 324.509 2.623 20 0 DFADHO CC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000556094031 430679158 /nfs/dbraw/zinc/67/91/58/430679158.db2.gz OPALQFZZWXGXBS-PBHICJAKSA-N 1 3 304.434 2.856 20 0 DFADHO CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000556094031 430679159 /nfs/dbraw/zinc/67/91/59/430679159.db2.gz OPALQFZZWXGXBS-PBHICJAKSA-N 1 3 304.434 2.856 20 0 DFADHO CC(C)[NH+]1CCC(NCCC(=O)Nc2cccc(F)c2)CC1 ZINC000572356521 430682964 /nfs/dbraw/zinc/68/29/64/430682964.db2.gz LPYJRYLBIAINFM-UHFFFAOYSA-N 1 3 307.413 2.617 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)CCN1Cc1ccccc1 ZINC000353652340 278030159 /nfs/dbraw/zinc/03/01/59/278030159.db2.gz WIOCEMDAIJCGAC-BPQIPLTHSA-N 1 3 324.472 2.910 20 0 DFADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000572678021 430694199 /nfs/dbraw/zinc/69/41/99/430694199.db2.gz FSYAPOYWTRDCDH-HKUYNNGSSA-N 1 3 313.445 2.510 20 0 DFADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@@]1(O)CC[N@H+](C)C1 ZINC000572678021 430694200 /nfs/dbraw/zinc/69/42/00/430694200.db2.gz FSYAPOYWTRDCDH-HKUYNNGSSA-N 1 3 313.445 2.510 20 0 DFADHO C[C@@H](C[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000248177994 278287157 /nfs/dbraw/zinc/28/71/57/278287157.db2.gz VXLXETCUIYUADR-VXNCWWDNSA-N 1 3 303.494 2.825 20 0 DFADHO C[C@@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000248177994 278287159 /nfs/dbraw/zinc/28/71/59/278287159.db2.gz VXLXETCUIYUADR-VXNCWWDNSA-N 1 3 303.494 2.825 20 0 DFADHO C[C@@H](CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000248177994 278287161 /nfs/dbraw/zinc/28/71/61/278287161.db2.gz VXLXETCUIYUADR-VXNCWWDNSA-N 1 3 303.494 2.825 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293497096 278344886 /nfs/dbraw/zinc/34/48/86/278344886.db2.gz SHCOIXBWARLHRJ-MRXNPFEDSA-N 1 3 317.477 2.915 20 0 DFADHO C[C@@H](CCNC[C@@H](O)CCc1ccccc1)[NH+]1CCCCC1 ZINC000572715230 430695618 /nfs/dbraw/zinc/69/56/18/430695618.db2.gz WWVZJNHGLLUWRD-HKUYNNGSSA-N 1 3 304.478 2.834 20 0 DFADHO C[C@@H](CC[NH2+]C[C@@H](O)CCc1ccccc1)N1CCCCC1 ZINC000572715230 430695619 /nfs/dbraw/zinc/69/56/19/430695619.db2.gz WWVZJNHGLLUWRD-HKUYNNGSSA-N 1 3 304.478 2.834 20 0 DFADHO C[C@H](CCNC[C@H](O)CCc1ccccc1)[NH+]1CCCCC1 ZINC000572715231 430695625 /nfs/dbraw/zinc/69/56/25/430695625.db2.gz WWVZJNHGLLUWRD-IEBWSBKVSA-N 1 3 304.478 2.834 20 0 DFADHO C[C@H](CC[NH2+]C[C@H](O)CCc1ccccc1)N1CCCCC1 ZINC000572715231 430695626 /nfs/dbraw/zinc/69/56/26/430695626.db2.gz WWVZJNHGLLUWRD-IEBWSBKVSA-N 1 3 304.478 2.834 20 0 DFADHO C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000290112133 278380047 /nfs/dbraw/zinc/38/00/47/278380047.db2.gz ITNOWVALWQYDJI-DNVCBOLYSA-N 1 3 320.477 2.829 20 0 DFADHO CSc1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000657751367 430726232 /nfs/dbraw/zinc/72/62/32/430726232.db2.gz HQODMCJFCWQDKZ-CYBMUJFWSA-N 1 3 312.504 2.813 20 0 DFADHO C[C@@H](NCc1cccc(C(F)(F)F)n1)C1CC[NH+](C)CC1 ZINC000651386909 430784172 /nfs/dbraw/zinc/78/41/72/430784172.db2.gz ZEUJVYFLSAMHCG-LLVKDONJSA-N 1 3 301.356 2.920 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC[C@@](C)(O)C(F)(F)F ZINC000644513843 430739771 /nfs/dbraw/zinc/73/97/71/430739771.db2.gz XNJVLJPJMIRTQD-OAHLLOKOSA-N 1 3 318.383 2.931 20 0 DFADHO CC[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccncc1 ZINC000651228803 430744507 /nfs/dbraw/zinc/74/45/07/430744507.db2.gz CYTNQVBVBKZLSH-ROUUACIJSA-N 1 3 303.450 2.766 20 0 DFADHO Cn1nc(CNCC2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000657812453 430744578 /nfs/dbraw/zinc/74/45/78/430744578.db2.gz CLDVZDAHHKHXCI-UHFFFAOYSA-N 1 3 312.461 2.785 20 0 DFADHO CC[C@H](C[NH+]1CCCC1)NCCC(=O)Nc1cccc(F)c1 ZINC000644569547 430756954 /nfs/dbraw/zinc/75/69/54/430756954.db2.gz XECBSPGNSMNFJR-OAHLLOKOSA-N 1 3 307.413 2.618 20 0 DFADHO CC(C)[C@@H](NC[C@H](O)C[NH+](C)C)c1ccc2c(c1)CCCC2 ZINC000657876636 430759396 /nfs/dbraw/zinc/75/93/96/430759396.db2.gz YRKNEUDWUJGECA-RBUKOAKNSA-N 1 3 304.478 2.775 20 0 DFADHO CC(C)C[N@@H+]1CC[C@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC000644588681 430761049 /nfs/dbraw/zinc/76/10/49/430761049.db2.gz FJSSIBTYVGJWMK-OAHLLOKOSA-N 1 3 321.440 2.722 20 0 DFADHO CC(C)C[N@H+]1CC[C@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC000644588681 430761053 /nfs/dbraw/zinc/76/10/53/430761053.db2.gz FJSSIBTYVGJWMK-OAHLLOKOSA-N 1 3 321.440 2.722 20 0 DFADHO C[N@H+](C[C@@H](O)CNCCc1cccc(-c2ccccc2)c1)C1CC1 ZINC000644594146 430763455 /nfs/dbraw/zinc/76/34/55/430763455.db2.gz PDLPDMBWWBKIHD-NRFANRHFSA-N 1 3 324.468 2.941 20 0 DFADHO C[N@@H+](C[C@@H](O)CNCCc1cccc(-c2ccccc2)c1)C1CC1 ZINC000644594146 430763461 /nfs/dbraw/zinc/76/34/61/430763461.db2.gz PDLPDMBWWBKIHD-NRFANRHFSA-N 1 3 324.468 2.941 20 0 DFADHO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658140346 430822752 /nfs/dbraw/zinc/82/27/52/430822752.db2.gz PZZNQKRZHZBRNE-MSOLQXFVSA-N 1 3 302.462 2.922 20 0 DFADHO CC1(C)CC[C@@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000658136624 430824055 /nfs/dbraw/zinc/82/40/55/430824055.db2.gz HNZGVVQAMZWOAW-QZTJIDSGSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@H](NCCO[C@@H]1CC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658170851 430832652 /nfs/dbraw/zinc/83/26/52/430832652.db2.gz VFZCHDROEFQBDU-BHYGNILZSA-N 1 3 324.415 2.911 20 0 DFADHO C[C@H](NCCO[C@@H]1CC1(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658170851 430832658 /nfs/dbraw/zinc/83/26/58/430832658.db2.gz VFZCHDROEFQBDU-BHYGNILZSA-N 1 3 324.415 2.911 20 0 DFADHO COC[C@@H](CC(C)C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168388 430833271 /nfs/dbraw/zinc/83/32/71/430833271.db2.gz WQIPODHPGPSJCY-LJQANCHMSA-N 1 3 319.493 2.944 20 0 DFADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc2[nH]c(=O)oc2c1 ZINC000651454301 430799032 /nfs/dbraw/zinc/79/90/32/430799032.db2.gz AQBJAURWDDWKAL-NDNKKMJESA-N 1 3 301.390 2.809 20 0 DFADHO COC[C@H](CCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)OC ZINC000658083769 430803681 /nfs/dbraw/zinc/80/36/81/430803681.db2.gz BZUKFVDUWMKQCO-NJAFHUGGSA-N 1 3 312.498 2.671 20 0 DFADHO COC[C@H](CC[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1)OC ZINC000658083769 430803687 /nfs/dbraw/zinc/80/36/87/430803687.db2.gz BZUKFVDUWMKQCO-NJAFHUGGSA-N 1 3 312.498 2.671 20 0 DFADHO CC[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)CCO1 ZINC000648494061 430807235 /nfs/dbraw/zinc/80/72/35/430807235.db2.gz PEJMXLCGXCBXFH-FUHWJXTLSA-N 1 3 303.450 2.845 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000658252060 430853611 /nfs/dbraw/zinc/85/36/11/430853611.db2.gz IJDCJZVPJIKBFZ-LAVFITLUSA-N 1 3 306.494 2.923 20 0 DFADHO CC(C)(C)N1CC[C@H]([NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)C1 ZINC000665236596 430864308 /nfs/dbraw/zinc/86/43/08/430864308.db2.gz QJONQZHZQNLTNK-OKZBNKHCSA-N 1 3 301.478 2.942 20 0 DFADHO Fc1c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cccc1OC1CC1 ZINC000665244047 430866216 /nfs/dbraw/zinc/86/62/16/430866216.db2.gz FNRXQPXJCPFWFB-BPLDGKMQSA-N 1 3 304.409 2.845 20 0 DFADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CCOC[C@@H]2C)cc1 ZINC000665254997 430870135 /nfs/dbraw/zinc/87/01/35/430870135.db2.gz GCFGMIATQSQTFB-QZHFEQFPSA-N 1 3 318.461 2.545 20 0 DFADHO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@H]1CCCOC1 ZINC000665254173 430871329 /nfs/dbraw/zinc/87/13/29/430871329.db2.gz JFYWGFUYEMOLGC-AETAKHFUSA-N 1 3 306.425 2.676 20 0 DFADHO C[C@@H]1[C@H](C(=O)Nc2cccc(CN3CCCCC3)c2)CC[N@@H+]1C ZINC000648731880 430872417 /nfs/dbraw/zinc/87/24/17/430872417.db2.gz VEOUELIEDIRTSM-CRAIPNDOSA-N 1 3 315.461 2.951 20 0 DFADHO C[C@@H]1[C@H](C(=O)Nc2cccc(CN3CCCCC3)c2)CC[N@H+]1C ZINC000648731880 430872422 /nfs/dbraw/zinc/87/24/22/430872422.db2.gz VEOUELIEDIRTSM-CRAIPNDOSA-N 1 3 315.461 2.951 20 0 DFADHO COc1ccc([C@H]2CC[NH2+]C[C@H]2N[C@@H]2CCC[C@@H](OC)C2)cc1 ZINC000665256017 430873155 /nfs/dbraw/zinc/87/31/55/430873155.db2.gz LPLLVRFMJMKYJH-NXWXRZEISA-N 1 3 318.461 2.688 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000658337944 430878189 /nfs/dbraw/zinc/87/81/89/430878189.db2.gz BLTOVRHKLUTGGU-LZBKUMLDSA-N 1 3 302.462 2.613 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000658337944 430878191 /nfs/dbraw/zinc/87/81/91/430878191.db2.gz BLTOVRHKLUTGGU-LZBKUMLDSA-N 1 3 302.462 2.613 20 0 DFADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC23CC(C2)CN3)cc1OC ZINC000665280027 430880057 /nfs/dbraw/zinc/88/00/57/430880057.db2.gz RJZRFGKHBNFDRD-RKSAHCFOSA-N 1 3 304.434 2.537 20 0 DFADHO O[C@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000658347828 430882716 /nfs/dbraw/zinc/88/27/16/430882716.db2.gz HTHVCVVTQHAAJC-FKSLSLAPSA-N 1 3 300.446 2.543 20 0 DFADHO O[C@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000658347828 430882720 /nfs/dbraw/zinc/88/27/20/430882720.db2.gz HTHVCVVTQHAAJC-FKSLSLAPSA-N 1 3 300.446 2.543 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H]2CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658349917 430883284 /nfs/dbraw/zinc/88/32/84/430883284.db2.gz VPLRAMHVBLLZNM-QRQLOZEOSA-N 1 3 301.478 2.581 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H]2CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658349917 430883288 /nfs/dbraw/zinc/88/32/88/430883288.db2.gz VPLRAMHVBLLZNM-QRQLOZEOSA-N 1 3 301.478 2.581 20 0 DFADHO O[C@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000658347835 430883462 /nfs/dbraw/zinc/88/34/62/430883462.db2.gz HTHVCVVTQHAAJC-NNIGNNQHSA-N 1 3 300.446 2.543 20 0 DFADHO O[C@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000658347835 430883466 /nfs/dbraw/zinc/88/34/66/430883466.db2.gz HTHVCVVTQHAAJC-NNIGNNQHSA-N 1 3 300.446 2.543 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(c2ccccc2)CC1(C)C ZINC000665299309 430890195 /nfs/dbraw/zinc/89/01/95/430890195.db2.gz KERLXGQLIWYUFZ-XPYUAMARSA-N 1 3 302.462 2.696 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@]1(c2ccccc2)CC1(C)C ZINC000665299309 430890197 /nfs/dbraw/zinc/89/01/97/430890197.db2.gz KERLXGQLIWYUFZ-XPYUAMARSA-N 1 3 302.462 2.696 20 0 DFADHO CO[C@H]([C@@H](C)[NH2+]Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000648797003 430896038 /nfs/dbraw/zinc/89/60/38/430896038.db2.gz CGVKBEOINOESOW-RDTXWAMCSA-N 1 3 306.450 2.530 20 0 DFADHO CC[N@H+](Cc1ccc(OCCN(C)C)cc1)[C@H]1CCCOC1 ZINC000651948345 430923043 /nfs/dbraw/zinc/92/30/43/430923043.db2.gz JNVTXHJKOHWCTO-KRWDZBQOSA-N 1 3 306.450 2.628 20 0 DFADHO CC[N@@H+](Cc1ccc(OCCN(C)C)cc1)[C@H]1CCCOC1 ZINC000651948345 430923045 /nfs/dbraw/zinc/92/30/45/430923045.db2.gz JNVTXHJKOHWCTO-KRWDZBQOSA-N 1 3 306.450 2.628 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@@]2(O)CCCOC2)CC1 ZINC000652046211 430943552 /nfs/dbraw/zinc/94/35/52/430943552.db2.gz OWYYFDRFNXPCTK-NEWSRXKRSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@@]2(O)CCCOC2)CC1 ZINC000652046211 430943557 /nfs/dbraw/zinc/94/35/57/430943557.db2.gz OWYYFDRFNXPCTK-NEWSRXKRSA-N 1 3 324.509 2.551 20 0 DFADHO C[N@H+](CCC(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CCCCC1 ZINC000655349947 430971350 /nfs/dbraw/zinc/97/13/50/430971350.db2.gz MTXPIBLGKOWGLB-ZWKOTPCHSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@@H+](CCC(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CCCCC1 ZINC000655349947 430971358 /nfs/dbraw/zinc/97/13/58/430971358.db2.gz MTXPIBLGKOWGLB-ZWKOTPCHSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000645465121 431008705 /nfs/dbraw/zinc/00/87/05/431008705.db2.gz GLTOOOFEVRKRAU-RHSMWYFYSA-N 1 3 301.434 2.609 20 0 DFADHO CC[C@@H](NC)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000662389216 431069144 /nfs/dbraw/zinc/06/91/44/431069144.db2.gz WDIUIOUEHUKNDG-RHSMWYFYSA-N 1 3 303.450 2.855 20 0 DFADHO CC[C@@H](NC)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000662389216 431069148 /nfs/dbraw/zinc/06/91/48/431069148.db2.gz WDIUIOUEHUKNDG-RHSMWYFYSA-N 1 3 303.450 2.855 20 0 DFADHO Cc1cc(C)n([C@@H]2CCCN(Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000662263202 431021300 /nfs/dbraw/zinc/02/13/00/431021300.db2.gz KXZZIYAVECJPIT-LJQANCHMSA-N 1 3 324.472 2.983 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc3c2CNC3)C1 ZINC000662389605 431069295 /nfs/dbraw/zinc/06/92/95/431069295.db2.gz UDTSTULPHYKRRG-HNNXBMFYSA-N 1 3 315.461 2.532 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc3c2CNC3)C1 ZINC000662389605 431069299 /nfs/dbraw/zinc/06/92/99/431069299.db2.gz UDTSTULPHYKRRG-HNNXBMFYSA-N 1 3 315.461 2.532 20 0 DFADHO COc1ccc(-c2cc(CN3CCC[C@@H](CC[NH3+])C3)on2)cc1 ZINC000662273698 431029288 /nfs/dbraw/zinc/02/92/88/431029288.db2.gz YPMOJHASAINMIM-AWEZNQCLSA-N 1 3 315.417 2.911 20 0 DFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H](OC(C)C)C2)cc1 ZINC000652353195 431031206 /nfs/dbraw/zinc/03/12/06/431031206.db2.gz OXNIYUXSERISFD-AEFFLSMTSA-N 1 3 306.450 2.627 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](OC(C)C)C2)cc1 ZINC000652353195 431031210 /nfs/dbraw/zinc/03/12/10/431031210.db2.gz OXNIYUXSERISFD-AEFFLSMTSA-N 1 3 306.450 2.627 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](OC(C)C)C2)cc1 ZINC000652353195 431031216 /nfs/dbraw/zinc/03/12/16/431031216.db2.gz OXNIYUXSERISFD-AEFFLSMTSA-N 1 3 306.450 2.627 20 0 DFADHO CO[C@H](CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1 ZINC000662282384 431032398 /nfs/dbraw/zinc/03/23/98/431032398.db2.gz UIYYZGYKVGZKNU-OTWHNJEPSA-N 1 3 318.461 2.592 20 0 DFADHO Fc1cccc(C2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1F ZINC000662282332 431032610 /nfs/dbraw/zinc/03/26/10/431032610.db2.gz GCVHDUSZEOQYQR-CQSZACIVSA-N 1 3 322.399 2.665 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCOc2ccc(F)cc2)C1 ZINC000652360787 431033312 /nfs/dbraw/zinc/03/33/12/431033312.db2.gz QJSNTBUHJWKBAN-BPQIPLTHSA-N 1 3 322.424 2.565 20 0 DFADHO CC(C)c1cccc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000662282634 431033765 /nfs/dbraw/zinc/03/37/65/431033765.db2.gz PNSXQTRLBTZZAV-SFHVURJKSA-N 1 3 313.449 2.697 20 0 DFADHO CC(C)c1cccc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000662282634 431033768 /nfs/dbraw/zinc/03/37/68/431033768.db2.gz PNSXQTRLBTZZAV-SFHVURJKSA-N 1 3 313.449 2.697 20 0 DFADHO COc1ccc(OCCN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290217 431035892 /nfs/dbraw/zinc/03/58/92/431035892.db2.gz NRIVXEQEHSUQNK-QGZVFWFLSA-N 1 3 318.461 2.786 20 0 DFADHO C[C@@H](C(=O)NC1CCCCC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298031 431037291 /nfs/dbraw/zinc/03/72/91/431037291.db2.gz UEGVHVHOXPJIOL-RDJZCZTQSA-N 1 3 321.509 2.535 20 0 DFADHO CC(C)C[NH+]1CCC(NC(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000354783285 278869385 /nfs/dbraw/zinc/86/93/85/278869385.db2.gz FSPOSRGWKCTDSX-SFHVURJKSA-N 1 3 323.525 2.734 20 0 DFADHO Cc1ccsc1CNC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312766 431042687 /nfs/dbraw/zinc/04/26/87/431042687.db2.gz DMMVVFQKJWORNR-UKRRQHHQSA-N 1 3 323.506 2.512 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000649322222 431066839 /nfs/dbraw/zinc/06/68/39/431066839.db2.gz GRFZGQZYYOCLSK-UAGQMJEPSA-N 1 3 317.477 2.607 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000649322172 431067609 /nfs/dbraw/zinc/06/76/09/431067609.db2.gz CUDYYGUAMSKDLN-ODIFPOPNSA-N 1 3 317.477 2.750 20 0 DFADHO CC1CC[NH+](CCCCNC(=O)c2cccc3c2CNC3)CC1 ZINC000662388553 431068832 /nfs/dbraw/zinc/06/88/32/431068832.db2.gz OKPJZQAXQPRLOU-UHFFFAOYSA-N 1 3 315.461 2.532 20 0 DFADHO c1ccc(CC[C@@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662251109 431014792 /nfs/dbraw/zinc/01/47/92/431014792.db2.gz YWUUMXVSCNPRPH-ZWKOTPCHSA-N 1 3 300.446 2.605 20 0 DFADHO c1ccc(CC[C@@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662251109 431014797 /nfs/dbraw/zinc/01/47/97/431014797.db2.gz YWUUMXVSCNPRPH-ZWKOTPCHSA-N 1 3 300.446 2.605 20 0 DFADHO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662254820 431015493 /nfs/dbraw/zinc/01/54/93/431015493.db2.gz ADWDZXGMKJDYLK-KMFMINBZSA-N 1 3 304.409 2.525 20 0 DFADHO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662254820 431015497 /nfs/dbraw/zinc/01/54/97/431015497.db2.gz ADWDZXGMKJDYLK-KMFMINBZSA-N 1 3 304.409 2.525 20 0 DFADHO c1ccc(C[C@H]2CCCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662256155 431016612 /nfs/dbraw/zinc/01/66/12/431016612.db2.gz HJUHFLUKPSLOMF-MSOLQXFVSA-N 1 3 300.446 2.605 20 0 DFADHO c1ccc(C[C@H]2CCCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662256155 431016618 /nfs/dbraw/zinc/01/66/18/431016618.db2.gz HJUHFLUKPSLOMF-MSOLQXFVSA-N 1 3 300.446 2.605 20 0 DFADHO Cc1ccc(CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1C ZINC000662258142 431017772 /nfs/dbraw/zinc/01/77/72/431017772.db2.gz XFAOSXXIJMGSQC-SFHVURJKSA-N 1 3 300.446 2.789 20 0 DFADHO Fc1ccc([C@H]2CCCCN2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257079 431019002 /nfs/dbraw/zinc/01/90/02/431019002.db2.gz MRBNDYYPSLQNNR-IAGOWNOFSA-N 1 3 304.409 2.874 20 0 DFADHO C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CNC3)O2)[C@H]1c1cccc(F)c1 ZINC000662256242 431019271 /nfs/dbraw/zinc/01/92/71/431019271.db2.gz HQQSCZHHDJIFFB-XOKHGSTOSA-N 1 3 304.409 2.730 20 0 DFADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)[C@H]1c1cccc(F)c1 ZINC000662256242 431019274 /nfs/dbraw/zinc/01/92/74/431019274.db2.gz HQQSCZHHDJIFFB-XOKHGSTOSA-N 1 3 304.409 2.730 20 0 DFADHO CC[C@H](NC)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000662584522 431123520 /nfs/dbraw/zinc/12/35/20/431123520.db2.gz PFLYBKAFVRAZQT-INIZCTEOSA-N 1 3 321.490 2.811 20 0 DFADHO CN1CCC[C@@H](CNC(=O)CCC(C)(C)[NH3+])[C@H]1c1cccs1 ZINC000649340909 431070892 /nfs/dbraw/zinc/07/08/92/431070892.db2.gz AMILREJCCAWCOT-BBRMVZONSA-N 1 3 323.506 2.765 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)c2cccc3c2CCNC3)c1 ZINC000662398833 431071753 /nfs/dbraw/zinc/07/17/53/431071753.db2.gz JLOCIIXRUYMKJP-UHFFFAOYSA-N 1 3 309.413 2.694 20 0 DFADHO Cc1ccc([C@H](CNC(=O)C[C@H]([NH3+])C(C)C)N2CCCC2)cc1 ZINC000645801975 431077685 /nfs/dbraw/zinc/07/76/85/431077685.db2.gz YLINIFGZDRSEEH-ROUUACIJSA-N 1 3 317.477 2.622 20 0 DFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662458460 431086398 /nfs/dbraw/zinc/08/63/98/431086398.db2.gz MKWZTHVWMWORHJ-FUHWJXTLSA-N 1 3 315.461 2.602 20 0 DFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662458460 431086403 /nfs/dbraw/zinc/08/64/03/431086403.db2.gz MKWZTHVWMWORHJ-FUHWJXTLSA-N 1 3 315.461 2.602 20 0 DFADHO Clc1ccc(N2CCN(CCCC3CC[NH2+]CC3)CC2)nc1 ZINC000649411551 431092838 /nfs/dbraw/zinc/09/28/38/431092838.db2.gz DUOYEAWEMHSRIL-UHFFFAOYSA-N 1 3 322.884 2.637 20 0 DFADHO CCCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000649411913 431094430 /nfs/dbraw/zinc/09/44/30/431094430.db2.gz TVEYAQWXLWDVJN-WOJBJXKFSA-N 1 3 315.505 2.973 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)N(C)CCN2CCCCC2)c1 ZINC000652610979 431100108 /nfs/dbraw/zinc/10/01/08/431100108.db2.gz SQRAYOMZAHRJBC-UHFFFAOYSA-N 1 3 318.465 2.746 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662596941 431127674 /nfs/dbraw/zinc/12/76/74/431127674.db2.gz UEOKULBLAHQPEB-ZWKOTPCHSA-N 1 3 321.509 2.522 20 0 DFADHO FC1(F)C[C@@H]1OCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000659837155 431133684 /nfs/dbraw/zinc/13/36/84/431133684.db2.gz DCFZZMGVHQLVPO-INIZCTEOSA-N 1 3 316.436 2.999 20 0 DFADHO CCN(C(=O)CC1([NH3+])CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000662693873 431165503 /nfs/dbraw/zinc/16/55/03/431165503.db2.gz MKUQPRJFOBIGMI-NVXWUHKLSA-N 1 3 315.461 2.552 20 0 DFADHO COc1ccc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c(Cl)c1OC ZINC000655826562 431170664 /nfs/dbraw/zinc/17/06/64/431170664.db2.gz IRMAIPVVUROOGB-BJHJDKERSA-N 1 3 312.841 2.787 20 0 DFADHO CCOc1c(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c(C)nn1CC(C)C ZINC000655827002 431171869 /nfs/dbraw/zinc/17/18/69/431171869.db2.gz MEKMKWLIGPJFHF-IYBDPMFKSA-N 1 3 322.497 2.676 20 0 DFADHO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000655844782 431183430 /nfs/dbraw/zinc/18/34/30/431183430.db2.gz XBBZJSTWDLBHQB-INIZCTEOSA-N 1 3 313.445 2.743 20 0 DFADHO CCc1ccc(CCN2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104276 431186474 /nfs/dbraw/zinc/18/64/74/431186474.db2.gz GIDULZCHYVBFBS-UHFFFAOYSA-N 1 3 302.462 2.588 20 0 DFADHO C[NH+]1CCC2(CC1)CN(CC/C=C/c1ccccc1)CCO2 ZINC000646106678 431187894 /nfs/dbraw/zinc/18/78/94/431187894.db2.gz LETRNAVLNRHAKX-WEVVVXLNSA-N 1 3 300.446 2.887 20 0 DFADHO CN1CCC[C@H]1C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000649610033 431194943 /nfs/dbraw/zinc/19/49/43/431194943.db2.gz GECLODSEQYPMSA-VQTJNVASSA-N 1 3 313.489 2.679 20 0 DFADHO CN1CCC[C@H]1C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000649610033 431194949 /nfs/dbraw/zinc/19/49/49/431194949.db2.gz GECLODSEQYPMSA-VQTJNVASSA-N 1 3 313.489 2.679 20 0 DFADHO Cc1ccccc1C[C@@H]1CCCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659931526 431196931 /nfs/dbraw/zinc/19/69/31/431196931.db2.gz OWKMXPJUDXRTTO-OALUTQOASA-N 1 3 304.478 2.703 20 0 DFADHO Cc1ccccc1C[C@@H]1CCCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000659931526 431196937 /nfs/dbraw/zinc/19/69/37/431196937.db2.gz OWKMXPJUDXRTTO-OALUTQOASA-N 1 3 304.478 2.703 20 0 DFADHO Cn1cc([C@H](NC[C@H]2C[C@@H]([NH+](C)C)C2)c2cccc(F)c2)cn1 ZINC000655804787 431154735 /nfs/dbraw/zinc/15/47/35/431154735.db2.gz BMKBSHDCVZISPF-JEBQAFNWSA-N 1 3 316.424 2.578 20 0 DFADHO C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1C[C@H]1CCCN1C ZINC000649547680 431155386 /nfs/dbraw/zinc/15/53/86/431155386.db2.gz ZOVBPKSONBAINS-IEBWSBKVSA-N 1 3 301.478 2.677 20 0 DFADHO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1C[C@H]1CCCN1C ZINC000649547680 431155390 /nfs/dbraw/zinc/15/53/90/431155390.db2.gz ZOVBPKSONBAINS-IEBWSBKVSA-N 1 3 301.478 2.677 20 0 DFADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000655907679 431215235 /nfs/dbraw/zinc/21/52/35/431215235.db2.gz MDJQYBKNKGKIEG-IAGOWNOFSA-N 1 3 316.449 2.544 20 0 DFADHO CN(CCN1CCCCC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000652990216 431221368 /nfs/dbraw/zinc/22/13/68/431221368.db2.gz KIEFTUYMEGDUPL-KRWDZBQOSA-N 1 3 321.509 2.585 20 0 DFADHO CN(CCN1CCCCC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000652990216 431221374 /nfs/dbraw/zinc/22/13/74/431221374.db2.gz KIEFTUYMEGDUPL-KRWDZBQOSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(C)CC23CCCCC3)C1 ZINC000659987599 431224175 /nfs/dbraw/zinc/22/41/75/431224175.db2.gz AYEALEWBELRNNI-HDICACEKSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCN(C)CC23CCCCC3)C1 ZINC000659987599 431224181 /nfs/dbraw/zinc/22/41/81/431224181.db2.gz AYEALEWBELRNNI-HDICACEKSA-N 1 3 307.526 2.915 20 0 DFADHO [NH3+]C[C@H]1CN(CCCc2c(F)cccc2F)CC12CCOCC2 ZINC000655941590 431225546 /nfs/dbraw/zinc/22/55/46/431225546.db2.gz XNFQAQXBPKKHBP-AWEZNQCLSA-N 1 3 324.415 2.585 20 0 DFADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)[C@@H](C)O1 ZINC000666429287 431226583 /nfs/dbraw/zinc/22/65/83/431226583.db2.gz KWHGEMNLNVWXGI-BFYDXBDKSA-N 1 3 306.450 2.530 20 0 DFADHO c1n[nH]cc1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000646212992 431226945 /nfs/dbraw/zinc/22/69/45/431226945.db2.gz COVHFQAKZBFXNR-UHFFFAOYSA-N 1 3 310.445 2.898 20 0 DFADHO CCC(C)(C)N1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000655947240 431227180 /nfs/dbraw/zinc/22/71/80/431227180.db2.gz QBRHHKQGXXBYMU-UHFFFAOYSA-N 1 3 301.478 2.639 20 0 DFADHO [NH3+]C[C@@H]1CN(CCCc2c(F)cccc2F)CC12CCOCC2 ZINC000655941591 431227311 /nfs/dbraw/zinc/22/73/11/431227311.db2.gz XNFQAQXBPKKHBP-CQSZACIVSA-N 1 3 324.415 2.585 20 0 DFADHO CO[C@H](CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CCCCC1 ZINC000660118445 431276238 /nfs/dbraw/zinc/27/62/38/431276238.db2.gz UYOOKTZGWVLOOS-NCXUSEDFSA-N 1 3 324.509 2.765 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)C1 ZINC000656198811 431306007 /nfs/dbraw/zinc/30/60/07/431306007.db2.gz XRRUXYKVFAAWQW-XWSJACJDSA-N 1 3 320.452 2.759 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)C1 ZINC000656198811 431306014 /nfs/dbraw/zinc/30/60/14/431306014.db2.gz XRRUXYKVFAAWQW-XWSJACJDSA-N 1 3 320.452 2.759 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000656197918 431306331 /nfs/dbraw/zinc/30/63/31/431306331.db2.gz DMUIXBZSOLSNIN-IRXDYDNUSA-N 1 3 316.493 2.899 20 0 DFADHO [NH3+]Cc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000653130840 431274586 /nfs/dbraw/zinc/27/45/86/431274586.db2.gz CXUWQILFZVJEKY-OLZOCXBDSA-N 1 3 316.323 2.831 20 0 DFADHO CC(C)[C@@H](Cc1ccc(F)cc1)NC[C@H](O)C[N@H+](C)C(C)C ZINC000660213580 431324176 /nfs/dbraw/zinc/32/41/76/431324176.db2.gz SROZNCITDOVIDS-ZWKOTPCHSA-N 1 3 310.457 2.684 20 0 DFADHO CC(C)[C@@H](Cc1ccc(F)cc1)NC[C@H](O)C[N@@H+](C)C(C)C ZINC000660213580 431324181 /nfs/dbraw/zinc/32/41/81/431324181.db2.gz SROZNCITDOVIDS-ZWKOTPCHSA-N 1 3 310.457 2.684 20 0 DFADHO CN(C(=O)CCNCCC[NH+]1CCCCC1)c1ccccc1 ZINC000663279946 431350653 /nfs/dbraw/zinc/35/06/53/431350653.db2.gz PJPYOEFAYFWRJP-UHFFFAOYSA-N 1 3 303.450 2.505 20 0 DFADHO CN(C(=O)CC[NH2+]CCCN1CCCCC1)c1ccccc1 ZINC000663279946 431350658 /nfs/dbraw/zinc/35/06/58/431350658.db2.gz PJPYOEFAYFWRJP-UHFFFAOYSA-N 1 3 303.450 2.505 20 0 DFADHO CN1CCN(CC2(C)CC[NH+](CCCC3CCC3)CC2)CC1 ZINC000660277799 431356331 /nfs/dbraw/zinc/35/63/31/431356331.db2.gz WJJAFLCHEGJWRP-UHFFFAOYSA-N 1 3 307.526 2.916 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@@]1(C)Cc1ccccc1 ZINC000660291148 431363652 /nfs/dbraw/zinc/36/36/52/431363652.db2.gz VLWGRKDKHFPANM-OALUTQOASA-N 1 3 304.478 2.785 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@@]1(C)Cc1ccccc1 ZINC000660291148 431363659 /nfs/dbraw/zinc/36/36/59/431363659.db2.gz VLWGRKDKHFPANM-OALUTQOASA-N 1 3 304.478 2.785 20 0 DFADHO CN1Cc2ccccc2[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000656515919 431415505 /nfs/dbraw/zinc/41/55/05/431415505.db2.gz LGQSIVNCRDWOJD-FQEVSTJZSA-N 1 3 322.456 2.827 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CCCC[C@H]3O)cc2)CC1 ZINC000656507887 431416184 /nfs/dbraw/zinc/41/61/84/431416184.db2.gz OJBSGRTYIWKRJY-RTBURBONSA-N 1 3 318.461 2.553 20 0 DFADHO COc1cc(CN[C@H]2CC23CC[NH2+]CC3)ccc1OC(C)C ZINC000666950771 431419263 /nfs/dbraw/zinc/41/92/63/431419263.db2.gz GBWQDSKQKKZQCV-KRWDZBQOSA-N 1 3 304.434 2.714 20 0 DFADHO FC(F)(F)Oc1ccccc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666950872 431419766 /nfs/dbraw/zinc/41/97/66/431419766.db2.gz OFQBYYITYGIZHY-ZDUSSCGKSA-N 1 3 300.324 2.817 20 0 DFADHO COc1ccc2nc(CN[C@@H]3CC34CC[NH2+]CC4)sc2c1 ZINC000666953606 431422862 /nfs/dbraw/zinc/42/28/62/431422862.db2.gz BWUDFVRHXFISFZ-CQSZACIVSA-N 1 3 303.431 2.537 20 0 DFADHO COc1ccc(-c2ccncc2)cc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666954251 431422902 /nfs/dbraw/zinc/42/29/02/431422902.db2.gz SSHBSDQQLYBCAO-LJQANCHMSA-N 1 3 323.440 2.989 20 0 DFADHO CCOc1ccc(CN[C@H]2CC23CC[NH2+]CC3)cc1OCC ZINC000666952369 431423381 /nfs/dbraw/zinc/42/33/81/431423381.db2.gz TWDNCGSPNUIJRP-KRWDZBQOSA-N 1 3 304.434 2.716 20 0 DFADHO OC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)CCC1 ZINC000663368828 431390665 /nfs/dbraw/zinc/39/06/65/431390665.db2.gz OVYUXISNKKLEFQ-SFHVURJKSA-N 1 3 314.473 2.793 20 0 DFADHO CN(C(=O)CCNC1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000663375841 431391714 /nfs/dbraw/zinc/39/17/14/431391714.db2.gz OQLHBHFWVYXTKQ-UHFFFAOYSA-N 1 3 315.461 2.646 20 0 DFADHO c1ccc2c(c1)CCO[C@@H]2C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000656499616 431410261 /nfs/dbraw/zinc/41/02/61/431410261.db2.gz HOMIPMNOINEHBF-HXUWFJFHSA-N 1 3 323.440 2.954 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)cc1O ZINC000666993777 431439028 /nfs/dbraw/zinc/43/90/28/431439028.db2.gz IXXHSTRRXSKJPM-GOEBONIOSA-N 1 3 318.461 2.986 20 0 DFADHO CN(CCC[NH+]1CCCC1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660463708 431442709 /nfs/dbraw/zinc/44/27/09/431442709.db2.gz GBBRLQNAKHMWMJ-KRWDZBQOSA-N 1 3 323.525 2.689 20 0 DFADHO COc1cccc(-c2n[nH]cc2CNCC[C@@H]([NH3+])C(C)C)c1 ZINC000663498904 431445282 /nfs/dbraw/zinc/44/52/82/431445282.db2.gz SOTRHWRYFLPUPT-MRXNPFEDSA-N 1 3 302.422 2.548 20 0 DFADHO C[C@H](C[NH2+]CC12CC(C1)CN2)c1cccc(Br)c1 ZINC000663498988 431445523 /nfs/dbraw/zinc/44/55/23/431445523.db2.gz SUWUMGOIJKYYNI-XIKARTHZSA-N 1 3 309.251 2.894 20 0 DFADHO CC(C)[C@H]([NH3+])CCNCc1c[nH]nc1-c1c(F)cccc1F ZINC000663498940 431445931 /nfs/dbraw/zinc/44/59/31/431445931.db2.gz VEBAIQGCDFGWDQ-CQSZACIVSA-N 1 3 308.376 2.818 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NCC[C@@H]([NH3+])C(C)C)c1C ZINC000663502386 431445946 /nfs/dbraw/zinc/44/59/46/431445946.db2.gz HOYORYBVDLEIPQ-GOEBONIOSA-N 1 3 305.466 2.984 20 0 DFADHO C[C@@H](C[NH2+]CC12CC(C1)CN2)c1cccc(Br)c1 ZINC000663498987 431446593 /nfs/dbraw/zinc/44/65/93/431446593.db2.gz SUWUMGOIJKYYNI-BZUNDVKYSA-N 1 3 309.251 2.894 20 0 DFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H](F)[C@H](N)C1 ZINC000663507605 431451943 /nfs/dbraw/zinc/45/19/43/431451943.db2.gz ZNXLNMGDUSRBDB-IAGOWNOFSA-N 1 3 307.457 2.516 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H](F)[C@H](N)C1 ZINC000663507605 431451946 /nfs/dbraw/zinc/45/19/46/431451946.db2.gz ZNXLNMGDUSRBDB-IAGOWNOFSA-N 1 3 307.457 2.516 20 0 DFADHO C[C@@H]([NH2+]CCCc1cncn1C)[C@H]1CCCN(C2CCC2)C1 ZINC000653614040 431461034 /nfs/dbraw/zinc/46/10/34/431461034.db2.gz LKKGGVJGPKWZSL-CVEARBPZSA-N 1 3 304.482 2.595 20 0 DFADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)[C@H]2CCCO[C@H]21 ZINC000663471821 431436421 /nfs/dbraw/zinc/43/64/21/431436421.db2.gz YNWYLAJMFXREBE-BSDSXHPESA-N 1 3 306.494 2.902 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000653762172 431516661 /nfs/dbraw/zinc/51/66/61/431516661.db2.gz YYAQTPDWZMGZSF-ZWKOTPCHSA-N 1 3 302.462 2.569 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000653762172 431516665 /nfs/dbraw/zinc/51/66/65/431516665.db2.gz YYAQTPDWZMGZSF-ZWKOTPCHSA-N 1 3 302.462 2.569 20 0 DFADHO c1cc2c(cc1CN1CCC([C@@H]3CCC[NH2+]C3)CC1)OCCO2 ZINC000656784477 431519830 /nfs/dbraw/zinc/51/98/30/431519830.db2.gz DLBFEGQEHDHITJ-QGZVFWFLSA-N 1 3 316.445 2.669 20 0 DFADHO c1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c2c(c1)OCCO2 ZINC000656786494 431523468 /nfs/dbraw/zinc/52/34/68/431523468.db2.gz TUKFYSSHEQFTCN-MRXNPFEDSA-N 1 3 316.445 2.669 20 0 DFADHO Clc1ccccc1N1CC[C@H](C[NH2+]C[C@H]2CCCNC2)C1 ZINC000656787882 431523817 /nfs/dbraw/zinc/52/38/17/431523817.db2.gz YCMBFABKTCGLOG-LSDHHAIUSA-N 1 3 307.869 2.756 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000660538173 431481659 /nfs/dbraw/zinc/48/16/59/431481659.db2.gz NDVFPVCVQSQBSX-VNTMZGSJSA-N 1 3 316.489 2.956 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000660538173 431481665 /nfs/dbraw/zinc/48/16/65/431481665.db2.gz NDVFPVCVQSQBSX-VNTMZGSJSA-N 1 3 316.489 2.956 20 0 DFADHO COc1ccc([C@@H](CC(C)C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000647284229 431536320 /nfs/dbraw/zinc/53/63/20/431536320.db2.gz IJUGJBMPIMQOKL-PKOBYXMFSA-N 1 3 320.477 2.829 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)N1CCCCC1 ZINC000354783296 280172177 /nfs/dbraw/zinc/17/21/77/280172177.db2.gz FWTDBABPBUPPFE-QZTJIDSGSA-N 1 3 323.525 2.734 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(OC)cc1 ZINC000128367801 280186971 /nfs/dbraw/zinc/18/69/71/280186971.db2.gz GQUQHCCBQWIRSL-LJQANCHMSA-N 1 3 319.493 2.764 20 0 DFADHO Cc1cc(F)ccc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705917 431652872 /nfs/dbraw/zinc/65/28/72/431652872.db2.gz AFCZMQXJBMPISU-SZMVWBNQSA-N 1 3 306.425 2.852 20 0 DFADHO Cc1cc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1F ZINC000650707081 431653243 /nfs/dbraw/zinc/65/32/43/431653243.db2.gz YDBQHQPLNPAWRU-JZXOWHBKSA-N 1 3 306.425 2.852 20 0 DFADHO c1cc(O[C@H]2CCOC2)ccc1C[NH2+]CCCN1CCCCC1 ZINC000657295851 431656928 /nfs/dbraw/zinc/65/69/28/431656928.db2.gz LETGYWNTXSUXTC-IBGZPJMESA-N 1 3 318.461 2.820 20 0 DFADHO Cc1ccc(F)cc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708376 431658145 /nfs/dbraw/zinc/65/81/45/431658145.db2.gz YVLJAXUVBKGGDA-JCGIZDLHSA-N 1 3 306.425 2.852 20 0 DFADHO CC[C@@H]1CN(Cc2ccc(C)cc2-c2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000647497748 431606909 /nfs/dbraw/zinc/60/69/09/431606909.db2.gz TWIRIQFQIJKDHD-BEFAXECRSA-N 1 3 312.461 2.955 20 0 DFADHO [NH3+]Cc1ccc(CNCCCc2ccc3c(c2)CCO3)c(F)c1 ZINC000650717184 431660812 /nfs/dbraw/zinc/66/08/12/431660812.db2.gz UQWCMHKDMSMBTG-UHFFFAOYSA-N 1 3 314.404 2.942 20 0 DFADHO Cc1cn2c(CNCC[C@H]3CCC[N@@H+](C)C3)c(C)nc2s1 ZINC000657189392 431622406 /nfs/dbraw/zinc/62/24/06/431622406.db2.gz PPIBCPOAGHPFBL-CQSZACIVSA-N 1 3 306.479 2.834 20 0 DFADHO Cc1cn2c(CNCC[C@H]3CCC[N@H+](C)C3)c(C)nc2s1 ZINC000657189392 431622412 /nfs/dbraw/zinc/62/24/12/431622412.db2.gz PPIBCPOAGHPFBL-CQSZACIVSA-N 1 3 306.479 2.834 20 0 DFADHO c1cc2c(cc1CN1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000647543499 431625388 /nfs/dbraw/zinc/62/53/88/431625388.db2.gz OKLIQTOAZYFURT-IRXDYDNUSA-N 1 3 316.445 2.669 20 0 DFADHO COc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC000647543432 431625450 /nfs/dbraw/zinc/62/54/50/431625450.db2.gz NHBPVISWIHUEEV-JKSUJKDBSA-N 1 3 318.461 2.915 20 0 DFADHO CCOc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543422 431625538 /nfs/dbraw/zinc/62/55/38/431625538.db2.gz NDZHTBXXEZKQLQ-HOTGVXAUSA-N 1 3 303.450 2.692 20 0 DFADHO COc1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000647544271 431626085 /nfs/dbraw/zinc/62/60/85/431626085.db2.gz YWOOGFMGRBLVND-IAGOWNOFSA-N 1 3 318.461 2.915 20 0 DFADHO CCOc1cccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647543957 431626395 /nfs/dbraw/zinc/62/63/95/431626395.db2.gz UVRMOJLXIYCFTA-CVEARBPZSA-N 1 3 303.450 2.692 20 0 DFADHO CCOc1ccc(C[NH2+]CCCN2CCN(CC)CC2)c(C)c1 ZINC000657307822 431664528 /nfs/dbraw/zinc/66/45/28/431664528.db2.gz JDBVEWLNKUQPEJ-UHFFFAOYSA-N 1 3 319.493 2.511 20 0 DFADHO COc1cccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650722239 431665757 /nfs/dbraw/zinc/66/57/57/431665757.db2.gz NTPBTDYWUWWKIB-KBAYOESNSA-N 1 3 304.434 2.556 20 0 DFADHO COc1ccccc1CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650721879 431665815 /nfs/dbraw/zinc/66/58/15/431665815.db2.gz FAHWYICYRCWSDP-JFIYKMOQSA-N 1 3 304.434 2.556 20 0 DFADHO Cc1c([C@H](C)NCCC2(C[NH3+])CC2)nnn1-c1ccc(C)cc1 ZINC000650744570 431674746 /nfs/dbraw/zinc/67/47/46/431674746.db2.gz QNSPXTGVHOCZOH-AWEZNQCLSA-N 1 3 313.449 2.664 20 0 DFADHO C[C@@H](NCCC1(C[NH3+])CC1)c1ncc(Br)cc1F ZINC000650746648 431678249 /nfs/dbraw/zinc/67/82/49/431678249.db2.gz HNSZXVCRZWEJOE-SECBINFHSA-N 1 3 316.218 2.763 20 0 DFADHO C[NH2+]Cc1ccccc1CN[C@@H]1COc2ccc(OC)cc2C1 ZINC000650756142 431682850 /nfs/dbraw/zinc/68/28/50/431682850.db2.gz VJTMJOLVHLTIBQ-KRWDZBQOSA-N 1 3 312.413 2.508 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000650761434 431684933 /nfs/dbraw/zinc/68/49/33/431684933.db2.gz ZTXWNOSVUDOWHZ-WCQYABFASA-N 1 3 312.360 2.528 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccc2c(c1)OC(F)(F)O2 ZINC000650761434 431684938 /nfs/dbraw/zinc/68/49/38/431684938.db2.gz ZTXWNOSVUDOWHZ-WCQYABFASA-N 1 3 312.360 2.528 20 0 DFADHO CN(CCCC1CC[NH2+]CC1)C[C@@H]1COc2ccccc2O1 ZINC000647872328 431713406 /nfs/dbraw/zinc/71/34/06/431713406.db2.gz WNYRUPWWGBKWNU-MRXNPFEDSA-N 1 3 304.434 2.538 20 0 DFADHO COCCC[NH+]1CCC(NCc2cc3ccncc3s2)CC1 ZINC000657343137 431690393 /nfs/dbraw/zinc/69/03/93/431690393.db2.gz JIDOTDSBWJJEEO-UHFFFAOYSA-N 1 3 319.474 2.887 20 0 DFADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nccn1-c1ccccc1 ZINC000647796783 431692059 /nfs/dbraw/zinc/69/20/59/431692059.db2.gz NSMIJWSJWGUZAX-VVLHAWIVSA-N 1 3 310.445 2.911 20 0 DFADHO CC(C)n1ccnc1CNCC1CCN(c2cc[nH+]cc2)CC1 ZINC000657426008 431745708 /nfs/dbraw/zinc/74/57/08/431745708.db2.gz UVXCCVOFMPMZPS-UHFFFAOYSA-N 1 3 313.449 2.865 20 0 DFADHO CC[NH+](CC)CCOCCNCc1cc2ccc(C)cc2[nH]1 ZINC000657432394 431746762 /nfs/dbraw/zinc/74/67/62/431746762.db2.gz GGHFNKPYJDCVLZ-UHFFFAOYSA-N 1 3 303.450 2.924 20 0 DFADHO C[C@H](C(=O)Nc1ccccc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976913 431762970 /nfs/dbraw/zinc/76/29/70/431762970.db2.gz VZVMBICPMBJRRL-ZACQAIPSSA-N 1 3 315.461 2.725 20 0 DFADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978283 431763089 /nfs/dbraw/zinc/76/30/89/431763089.db2.gz PIBJBXGVHOKFAM-RCCFBDPRSA-N 1 3 323.525 2.591 20 0 DFADHO CCOc1cc(C)ccc1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000647909346 431722996 /nfs/dbraw/zinc/72/29/96/431722996.db2.gz DTXIHIBJCSXCTH-UHFFFAOYSA-N 1 3 320.477 2.719 20 0 DFADHO C[NH+]1CCC2(CC1)CN(CC(C)(C)c1ccccc1)CCO2 ZINC000648072029 431808024 /nfs/dbraw/zinc/80/80/24/431808024.db2.gz HTEUWPZCJOUHOG-UHFFFAOYSA-N 1 3 302.462 2.761 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(F)cc1Cl ZINC000657573372 431815214 /nfs/dbraw/zinc/81/52/14/431815214.db2.gz KNNSBZUSMGFGHV-ZDUSSCGKSA-N 1 3 315.864 2.841 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000657613482 431825644 /nfs/dbraw/zinc/82/56/44/431825644.db2.gz LASDFFZFWBFURC-HGKCTWBKSA-N 1 3 317.477 2.839 20 0 DFADHO C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCCCCC1 ZINC000150744459 289277801 /nfs/dbraw/zinc/27/78/01/289277801.db2.gz FIGDSVLJJFHILL-MSOLQXFVSA-N 1 3 321.509 2.728 20 0 DFADHO C[NH2+]CCCN1CCC(CCc2cc(OC)cc(OC)c2)CC1 ZINC000435871025 296977720 /nfs/dbraw/zinc/97/77/20/296977720.db2.gz IOVWSAWJFBWARK-UHFFFAOYSA-N 1 3 320.477 2.958 20 0 DFADHO CC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(OC)cc1 ZINC000154378243 295298677 /nfs/dbraw/zinc/29/86/77/295298677.db2.gz GXDWBEDJBUZVCD-LJQANCHMSA-N 1 3 319.493 2.764 20 0 DFADHO COc1ccc(C)cc1[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154379613 295298856 /nfs/dbraw/zinc/29/88/56/295298856.db2.gz HNPIBJBALHYLNQ-KRWDZBQOSA-N 1 3 319.493 2.682 20 0 DFADHO CCC(CC)(CNC(=O)CNC1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000154661333 295304561 /nfs/dbraw/zinc/30/45/61/295304561.db2.gz MUWJJGGYRGWYPB-HNNXBMFYSA-N 1 3 317.477 2.764 20 0 DFADHO CC(C)(C)[NH2+]CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412133983 295592469 /nfs/dbraw/zinc/59/24/69/295592469.db2.gz YMSNCYHJJKNPCX-UHFFFAOYSA-N 1 3 317.477 2.790 20 0 DFADHO C[C@H](CNC(=O)c1cccc(CN2CCCCC2)c1)C[NH+](C)C ZINC000412355259 295615323 /nfs/dbraw/zinc/61/53/23/295615323.db2.gz DEBVLANUEAULFU-MRXNPFEDSA-N 1 3 317.477 2.600 20 0 DFADHO c1ccc(CCN2CC[C@@H](C[NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000438218152 297085193 /nfs/dbraw/zinc/08/51/93/297085193.db2.gz XWWOCRHVKHWNAE-OALUTQOASA-N 1 3 302.462 2.567 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1(C)C ZINC000442860010 297208288 /nfs/dbraw/zinc/20/82/88/297208288.db2.gz AZFMJIQYVSNZKV-QGZVFWFLSA-N 1 3 321.896 2.943 20 0 DFADHO CC(C)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)cn1 ZINC000442878430 297209030 /nfs/dbraw/zinc/20/90/30/297209030.db2.gz TZCTUXWKSXHASZ-KRWDZBQOSA-N 1 3 322.472 2.533 20 0 DFADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000442879572 297209350 /nfs/dbraw/zinc/20/93/50/297209350.db2.gz WVLHDXKROQHVMJ-QGZVFWFLSA-N 1 3 303.494 2.980 20 0 DFADHO Cc1ccc([C@@H](C)NC(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000443068431 297214710 /nfs/dbraw/zinc/21/47/10/297214710.db2.gz ICOBGTUZEJCNLE-SJORKVTESA-N 1 3 317.477 2.541 20 0 DFADHO C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@H](CC[NH3+])C1 ZINC000443066087 297214920 /nfs/dbraw/zinc/21/49/20/297214920.db2.gz DIXKBSLIFNHMIG-UONOGXRCSA-N 1 3 300.406 2.858 20 0 DFADHO Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)c(C)c1 ZINC000443078670 297215663 /nfs/dbraw/zinc/21/56/63/297215663.db2.gz XIOYXOZKHMXSSC-HZPDHXFCSA-N 1 3 303.450 2.691 20 0 DFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000445534827 297262319 /nfs/dbraw/zinc/26/23/19/297262319.db2.gz WNUUFQKPRIMZNX-UHFFFAOYSA-N 1 3 319.468 2.818 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(C)cn2)C[C@H]1C ZINC000447007940 297292674 /nfs/dbraw/zinc/29/26/74/297292674.db2.gz RVKSQZZWDRUIGZ-HZPDHXFCSA-N 1 3 318.465 2.523 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(C)cn2)C[C@H]1C ZINC000447007940 297292676 /nfs/dbraw/zinc/29/26/76/297292676.db2.gz RVKSQZZWDRUIGZ-HZPDHXFCSA-N 1 3 318.465 2.523 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1)C1CC1 ZINC000447506624 297305664 /nfs/dbraw/zinc/30/56/64/297305664.db2.gz DHGUVYKZAYXGLV-PBHICJAKSA-N 1 3 315.461 2.541 20 0 DFADHO c1cc(N2CCN(CCC[NH2+]C3CC4(CCC4)C3)CC2)ccn1 ZINC000448075534 297331701 /nfs/dbraw/zinc/33/17/01/297331701.db2.gz WDEOROJTWMNOIL-UHFFFAOYSA-N 1 3 314.477 2.516 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc3cccnc3o2)C[C@@H](C)O1 ZINC000449104290 297405811 /nfs/dbraw/zinc/40/58/11/297405811.db2.gz UTCAFLXZNCQKKO-HUUCEWRRSA-N 1 3 317.433 2.807 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452343917 297961797 /nfs/dbraw/zinc/96/17/97/297961797.db2.gz MJKUQYIUDZQHBK-HOTGVXAUSA-N 1 3 311.514 2.780 20 0 DFADHO CN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453216189 298071894 /nfs/dbraw/zinc/07/18/94/298071894.db2.gz GJCNVFKABDSKBU-IPMKNSEASA-N 1 3 301.478 2.581 20 0 DFADHO CN(C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453216189 298071895 /nfs/dbraw/zinc/07/18/95/298071895.db2.gz GJCNVFKABDSKBU-IPMKNSEASA-N 1 3 301.478 2.581 20 0 DFADHO CN(C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453216189 298071896 /nfs/dbraw/zinc/07/18/96/298071896.db2.gz GJCNVFKABDSKBU-IPMKNSEASA-N 1 3 301.478 2.581 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000453304180 298081593 /nfs/dbraw/zinc/08/15/93/298081593.db2.gz FHRBBKQJMNVVGZ-ABAIWWIYSA-N 1 3 300.805 2.788 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000453304180 298081594 /nfs/dbraw/zinc/08/15/94/298081594.db2.gz FHRBBKQJMNVVGZ-ABAIWWIYSA-N 1 3 300.805 2.788 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000453304183 298081780 /nfs/dbraw/zinc/08/17/80/298081780.db2.gz FHRBBKQJMNVVGZ-XHDPSFHLSA-N 1 3 300.805 2.788 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000453304183 298081782 /nfs/dbraw/zinc/08/17/82/298081782.db2.gz FHRBBKQJMNVVGZ-XHDPSFHLSA-N 1 3 300.805 2.788 20 0 DFADHO O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000453350766 298085889 /nfs/dbraw/zinc/08/58/89/298085889.db2.gz FDGIVFKIWFECLX-CENDIDJXSA-N 1 3 314.473 2.790 20 0 DFADHO O[C@H]1C[C@@H](N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000453350766 298085892 /nfs/dbraw/zinc/08/58/92/298085892.db2.gz FDGIVFKIWFECLX-CENDIDJXSA-N 1 3 314.473 2.790 20 0 DFADHO O[C@H]1C[C@@H](N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000453350766 298085894 /nfs/dbraw/zinc/08/58/94/298085894.db2.gz FDGIVFKIWFECLX-CENDIDJXSA-N 1 3 314.473 2.790 20 0 DFADHO COC(=O)N1CCC[C@H]([C@H](C)N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000496283793 300040783 /nfs/dbraw/zinc/04/07/83/300040783.db2.gz MLLJBHHACJZDFK-MGBSGCIJSA-N 1 3 317.433 2.588 20 0 DFADHO CC[C@@H](NCC1([NH3+])CCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496625862 300089965 /nfs/dbraw/zinc/08/99/65/300089965.db2.gz PDHYMXBIAKOELI-ZIAGYGMSSA-N 1 3 311.470 2.636 20 0 DFADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)CC(F)(F)F ZINC000515165948 300292932 /nfs/dbraw/zinc/29/29/32/300292932.db2.gz PZMVMZQUVBKZQX-HNNXBMFYSA-N 1 3 316.367 2.685 20 0 DFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCOCC(F)(F)F ZINC000515232711 300296461 /nfs/dbraw/zinc/29/64/61/300296461.db2.gz FXWXZBZBXSVNOG-TZMCWYRMSA-N 1 3 304.356 2.504 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000516492002 300345607 /nfs/dbraw/zinc/34/56/07/300345607.db2.gz QCIHVKWOIVLBDX-ZACQAIPSSA-N 1 3 305.441 2.962 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000516492002 300345609 /nfs/dbraw/zinc/34/56/09/300345609.db2.gz QCIHVKWOIVLBDX-ZACQAIPSSA-N 1 3 305.441 2.962 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@@H]2CCCNC2)cc1OC ZINC000516861232 300363970 /nfs/dbraw/zinc/36/39/70/300363970.db2.gz CKOJNTZZFKLCLG-YQQAZPJKSA-N 1 3 320.477 2.860 20 0 DFADHO CN1CCN(CC2(C)CC[NH+](CC3CC(C)(C)C3)CC2)CC1 ZINC000528445145 300791777 /nfs/dbraw/zinc/79/17/77/300791777.db2.gz HUSOZAFPOUMHMK-UHFFFAOYSA-N 1 3 307.526 2.772 20 0 DFADHO C[C@@H](c1ccc(F)cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238842 301033245 /nfs/dbraw/zinc/03/32/45/301033245.db2.gz DCICDTLOCHVGCN-KBXCAEBGSA-N 1 3 306.425 2.977 20 0 DFADHO CCc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000530248335 301033732 /nfs/dbraw/zinc/03/37/32/301033732.db2.gz JDMHAFGPUWHIED-OAHLLOKOSA-N 1 3 308.491 2.901 20 0 DFADHO c1cc2c(cc1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)OCCNC2 ZINC000530247328 301033851 /nfs/dbraw/zinc/03/38/51/301033851.db2.gz QFKUDZKDNSOUHZ-BRWVUGGUSA-N 1 3 301.434 2.501 20 0 DFADHO CCc1cccc(F)c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248838 301034002 /nfs/dbraw/zinc/03/40/02/301034002.db2.gz QFPFVHQFBYUZMQ-KRWDZBQOSA-N 1 3 320.452 2.979 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NCC[N@@H+]2CC[C@H](C)C2)c1C ZINC000531728576 301106316 /nfs/dbraw/zinc/10/63/16/301106316.db2.gz SBYXXMPGMUPGTH-GOEBONIOSA-N 1 3 317.477 2.952 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NCC[N@H+]2CC[C@H](C)C2)c1C ZINC000531728576 301106319 /nfs/dbraw/zinc/10/63/19/301106319.db2.gz SBYXXMPGMUPGTH-GOEBONIOSA-N 1 3 317.477 2.952 20 0 DFADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532235224 301138467 /nfs/dbraw/zinc/13/84/67/301138467.db2.gz RXNWSMQFCIIGRJ-XEZPLFJOSA-N 1 3 301.434 2.705 20 0 DFADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532235224 301138470 /nfs/dbraw/zinc/13/84/70/301138470.db2.gz RXNWSMQFCIIGRJ-XEZPLFJOSA-N 1 3 301.434 2.705 20 0 DFADHO CCCOc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000532373806 301148164 /nfs/dbraw/zinc/14/81/64/301148164.db2.gz HPMHHIFCQGOXFF-UHFFFAOYSA-N 1 3 320.477 2.800 20 0 DFADHO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000532967390 301179615 /nfs/dbraw/zinc/17/96/15/301179615.db2.gz AWNGWRDNBIRVAJ-MAUKXSAKSA-N 1 3 321.509 2.630 20 0 DFADHO CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000532967390 301179618 /nfs/dbraw/zinc/17/96/18/301179618.db2.gz AWNGWRDNBIRVAJ-MAUKXSAKSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(Cc2cnc3ccccn23)CC1 ZINC000533408675 301200331 /nfs/dbraw/zinc/20/03/31/301200331.db2.gz GIOSAXUISSETGI-UHFFFAOYSA-N 1 3 300.450 2.887 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(Cc2cnc3ccccn23)CC1 ZINC000533408675 301200333 /nfs/dbraw/zinc/20/03/33/301200333.db2.gz GIOSAXUISSETGI-UHFFFAOYSA-N 1 3 300.450 2.887 20 0 DFADHO C[NH+](C)CCOC1CCN(Cc2ccnc3ccccc23)CC1 ZINC000539832374 301351750 /nfs/dbraw/zinc/35/17/50/301351750.db2.gz RMYCDVGWJVHWOJ-UHFFFAOYSA-N 1 3 313.445 2.777 20 0 DFADHO CC(C)[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CC1 ZINC000540988416 301380061 /nfs/dbraw/zinc/38/00/61/301380061.db2.gz LFIBUVNANQZTAP-RTBURBONSA-N 1 3 302.462 2.777 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000552005049 301675290 /nfs/dbraw/zinc/67/52/90/301675290.db2.gz JJPPBSKCORGQNB-RCCFBDPRSA-N 1 3 323.525 2.545 20 0 DFADHO Cc1cc(N[C@@H](C)C[NH+](C)C)c2cc(OC(F)F)ccc2n1 ZINC000553356756 301711310 /nfs/dbraw/zinc/71/13/10/301711310.db2.gz BJWMTXYCJFWPSW-NSHDSACASA-N 1 3 309.360 2.929 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000562960441 302018691 /nfs/dbraw/zinc/01/86/91/302018691.db2.gz XXENWZIUQSSERO-LSDHHAIUSA-N 1 3 316.474 2.855 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCc1nc(-c2ccncc2)cs1 ZINC000562960441 302018693 /nfs/dbraw/zinc/01/86/93/302018693.db2.gz XXENWZIUQSSERO-LSDHHAIUSA-N 1 3 316.474 2.855 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cncc(Br)c1 ZINC000564742283 302155982 /nfs/dbraw/zinc/15/59/82/302155982.db2.gz YBPTUXHOFGGWQH-RYUDHWBXSA-N 1 3 324.266 2.979 20 0 DFADHO c1cc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc2c1OCO2 ZINC000564823544 302161196 /nfs/dbraw/zinc/16/11/96/302161196.db2.gz DLMUJDXMXAXGDD-YESZJQIVSA-N 1 3 316.445 2.858 20 0 DFADHO OC1(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCC1 ZINC000564868221 302166707 /nfs/dbraw/zinc/16/67/07/302166707.db2.gz DHYZVNAMYMXLMH-GOSISDBHSA-N 1 3 302.462 2.793 20 0 DFADHO OC1(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000564868221 302166709 /nfs/dbraw/zinc/16/67/09/302166709.db2.gz DHYZVNAMYMXLMH-GOSISDBHSA-N 1 3 302.462 2.793 20 0 DFADHO OC1(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000564868221 302166710 /nfs/dbraw/zinc/16/67/10/302166710.db2.gz DHYZVNAMYMXLMH-GOSISDBHSA-N 1 3 302.462 2.793 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000565652546 302234895 /nfs/dbraw/zinc/23/48/95/302234895.db2.gz XAWWXKDXXRCADO-GVDBMIGSSA-N 1 3 310.869 2.706 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000565661277 302235965 /nfs/dbraw/zinc/23/59/65/302235965.db2.gz RJJGBHSDOBRWNO-YJBOKZPZSA-N 1 3 321.509 2.617 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000565661277 302235968 /nfs/dbraw/zinc/23/59/68/302235968.db2.gz RJJGBHSDOBRWNO-YJBOKZPZSA-N 1 3 321.509 2.617 20 0 DFADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NCc1nccn1-c1ccccc1 ZINC000565880233 302246555 /nfs/dbraw/zinc/24/65/55/302246555.db2.gz NLRKDVZMJWRDAX-JOUKPKRSSA-N 1 3 310.445 2.868 20 0 DFADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCCCC[C@@H]2N)CC1 ZINC000566090768 302258604 /nfs/dbraw/zinc/25/86/04/302258604.db2.gz LTRCTXKMMPLNLO-AYOQOUSVSA-N 1 3 316.493 2.857 20 0 DFADHO C[C@H](c1ccncc1)N1CCC(N[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000566090768 302258606 /nfs/dbraw/zinc/25/86/06/302258606.db2.gz LTRCTXKMMPLNLO-AYOQOUSVSA-N 1 3 316.493 2.857 20 0 DFADHO Cc1ccc(CN(C)CCC[NH+]2CCN(C)CC2)c(Cl)c1 ZINC000566339103 302280865 /nfs/dbraw/zinc/28/08/65/302280865.db2.gz WRSYVJQXKQFLQA-UHFFFAOYSA-N 1 3 309.885 2.718 20 0 DFADHO C[C@H]1C[N@H+](CCCNCc2ccnc3ccccc23)CCCO1 ZINC000567010557 302329003 /nfs/dbraw/zinc/32/90/03/302329003.db2.gz QITXVGIDWFJSGY-INIZCTEOSA-N 1 3 313.445 2.825 20 0 DFADHO C[C@H]1C[N@@H+](CCCNCc2ccnc3ccccc23)CCCO1 ZINC000567010557 302329006 /nfs/dbraw/zinc/32/90/06/302329006.db2.gz QITXVGIDWFJSGY-INIZCTEOSA-N 1 3 313.445 2.825 20 0 DFADHO CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)C[C@H]1CCCCC[NH2+]1)CC2 ZINC000567260340 302345594 /nfs/dbraw/zinc/34/55/94/302345594.db2.gz LLMVCTBTEBPYON-OAGGEKHMSA-N 1 3 319.497 2.617 20 0 DFADHO CN1CCC[C@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC000567263538 302345973 /nfs/dbraw/zinc/34/59/73/302345973.db2.gz DZXDFMOJIRUQQG-IBGZPJMESA-N 1 3 321.509 2.585 20 0 DFADHO CN1CCC[C@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC000567263538 302345975 /nfs/dbraw/zinc/34/59/75/302345975.db2.gz DZXDFMOJIRUQQG-IBGZPJMESA-N 1 3 321.509 2.585 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)[C@H]1CCCNC1 ZINC000567639986 302375341 /nfs/dbraw/zinc/37/53/41/302375341.db2.gz UALRPBPGIXNUEM-BZSNNMDCSA-N 1 3 301.478 2.881 20 0 DFADHO Cc1ccccc1[C@@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000572220913 302649590 /nfs/dbraw/zinc/64/95/90/302649590.db2.gz SQKXZJABMUZLBH-LJQANCHMSA-N 1 3 311.429 2.682 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000574268972 302749615 /nfs/dbraw/zinc/74/96/15/302749615.db2.gz OZWVHLIOUISVGZ-TXQGORRRSA-N 1 3 302.462 2.650 20 0 DFADHO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000574499184 302762104 /nfs/dbraw/zinc/76/21/04/302762104.db2.gz MDJXQTPCSMDFHA-QAPCUYQASA-N 1 3 321.509 2.678 20 0 DFADHO c1cnn(-c2ccccc2CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000261621401 304861040 /nfs/dbraw/zinc/86/10/40/304861040.db2.gz AYDCMJASPHYTEK-RCCFBDPRSA-N 1 3 310.445 2.883 20 0 DFADHO COC[C@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C(C)C ZINC000165878071 315889418 /nfs/dbraw/zinc/88/94/18/315889418.db2.gz XCAGOESIPSABGJ-QAPCUYQASA-N 1 3 308.466 2.949 20 0 DFADHO C[C@H](CCNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000182918126 316123611 /nfs/dbraw/zinc/12/36/11/316123611.db2.gz AFMJVVWTXVHKMX-NCOADZHNSA-N 1 3 309.498 2.628 20 0 DFADHO C[C@H](NCCOCC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185692512 316190151 /nfs/dbraw/zinc/19/01/51/316190151.db2.gz IOPNFCXSSKFLMO-STQMWFEESA-N 1 3 308.388 2.808 20 0 DFADHO C[C@H](NCCOCC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185692512 316190154 /nfs/dbraw/zinc/19/01/54/316190154.db2.gz IOPNFCXSSKFLMO-STQMWFEESA-N 1 3 308.388 2.808 20 0 DFADHO C[C@H]([NH2+]CCOCC(F)(F)F)[C@H]1CCCN(C2CCC2)C1 ZINC000185692512 316190158 /nfs/dbraw/zinc/19/01/58/316190158.db2.gz IOPNFCXSSKFLMO-STQMWFEESA-N 1 3 308.388 2.808 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(CN(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000317302893 316248166 /nfs/dbraw/zinc/24/81/66/316248166.db2.gz XDPQJORJCXWDOM-HOCLYGCPSA-N 1 3 303.450 2.713 20 0 DFADHO CN(C)Cc1ccc(NC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000319213380 316250572 /nfs/dbraw/zinc/25/05/72/316250572.db2.gz SDWDJCMIVGVCKM-UHFFFAOYSA-N 1 3 303.450 2.986 20 0 DFADHO c1ccc(CN2CCC[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000336704705 316299834 /nfs/dbraw/zinc/29/98/34/316299834.db2.gz GUKZXMNAOKSLIG-SLFFLAALSA-N 1 3 313.489 2.867 20 0 DFADHO c1ccc(CN2CCC[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000336704705 316299836 /nfs/dbraw/zinc/29/98/36/316299836.db2.gz GUKZXMNAOKSLIG-SLFFLAALSA-N 1 3 313.489 2.867 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2c(C)noc2C)[C@@H](C)C1 ZINC000346598440 316318799 /nfs/dbraw/zinc/31/87/99/316318799.db2.gz GABTYLNPFGUMNL-KBXCAEBGSA-N 1 3 323.481 2.561 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2c(C)noc2C)[C@@H](C)C1 ZINC000346598440 316318801 /nfs/dbraw/zinc/31/88/01/316318801.db2.gz GABTYLNPFGUMNL-KBXCAEBGSA-N 1 3 323.481 2.561 20 0 DFADHO CN1CC[C@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000350022759 316374116 /nfs/dbraw/zinc/37/41/16/316374116.db2.gz IZPQIAQGGQHZPV-INIZCTEOSA-N 1 3 312.417 2.752 20 0 DFADHO [NH3+]CCN(c1ccc2ccccc2n1)C1CCN(C2CC2)CC1 ZINC000414484286 316606209 /nfs/dbraw/zinc/60/62/09/316606209.db2.gz GLFTZRYKLMPFHN-UHFFFAOYSA-N 1 3 310.445 2.627 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(OCc2ccncc2)cc1 ZINC000414788665 316657562 /nfs/dbraw/zinc/65/75/62/316657562.db2.gz DSOUVMDYBUXRHZ-HKUYNNGSSA-N 1 3 311.429 2.878 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414796339 316661175 /nfs/dbraw/zinc/66/11/75/316661175.db2.gz HOIXSBZMMQHBEN-YPMHNXCESA-N 1 3 320.330 2.984 20 0 DFADHO Cc1cc(C)n2c(CNCc3ccc([C@H](C)[NH3+])cc3)cnc2n1 ZINC000414802540 316663143 /nfs/dbraw/zinc/66/31/43/316663143.db2.gz BVUFYRVXXGVRHC-AWEZNQCLSA-N 1 3 309.417 2.656 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000450497399 317098536 /nfs/dbraw/zinc/09/85/36/317098536.db2.gz CDCTWYTYCUUSFJ-QXCFHYIPSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000450497399 317098540 /nfs/dbraw/zinc/09/85/40/317098540.db2.gz CDCTWYTYCUUSFJ-QXCFHYIPSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000450497399 317098542 /nfs/dbraw/zinc/09/85/42/317098542.db2.gz CDCTWYTYCUUSFJ-QXCFHYIPSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000450497399 317098546 /nfs/dbraw/zinc/09/85/46/317098546.db2.gz CDCTWYTYCUUSFJ-QXCFHYIPSA-N 1 3 302.462 2.567 20 0 DFADHO C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000450504566 317101077 /nfs/dbraw/zinc/10/10/77/317101077.db2.gz YOFDQYDRPPHUMT-QGZVFWFLSA-N 1 3 321.509 2.632 20 0 DFADHO C[NH+](C)CCCN[C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453067348 317159347 /nfs/dbraw/zinc/15/93/47/317159347.db2.gz ZEQWEHJZJDGMDF-SJORKVTESA-N 1 3 310.869 2.971 20 0 DFADHO Cc1cnc(CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000453394840 317183245 /nfs/dbraw/zinc/18/32/45/317183245.db2.gz HJGVBZYSJOJSLH-MJGOQNOKSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cnc(CCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000453394840 317183247 /nfs/dbraw/zinc/18/32/47/317183247.db2.gz HJGVBZYSJOJSLH-MJGOQNOKSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cnc(CCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000453394840 317183249 /nfs/dbraw/zinc/18/32/49/317183249.db2.gz HJGVBZYSJOJSLH-MJGOQNOKSA-N 1 3 324.472 2.828 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000458236531 317269434 /nfs/dbraw/zinc/26/94/34/317269434.db2.gz YJNXMWAYPQSZND-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000458236531 317269438 /nfs/dbraw/zinc/26/94/38/317269438.db2.gz YJNXMWAYPQSZND-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCn1cccn1 ZINC000471835196 317337294 /nfs/dbraw/zinc/33/72/94/317337294.db2.gz UTUCBEBWTZCZPY-RBUKOAKNSA-N 1 3 312.461 2.555 20 0 DFADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCn1cccn1 ZINC000471835196 317337297 /nfs/dbraw/zinc/33/72/97/317337297.db2.gz UTUCBEBWTZCZPY-RBUKOAKNSA-N 1 3 312.461 2.555 20 0 DFADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1CCn1cccn1 ZINC000471835196 317337299 /nfs/dbraw/zinc/33/72/99/317337299.db2.gz UTUCBEBWTZCZPY-RBUKOAKNSA-N 1 3 312.461 2.555 20 0 DFADHO CC1CC[NH+](C[C@H](O)CN[C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488433113 317392575 /nfs/dbraw/zinc/39/25/75/317392575.db2.gz MXEJCJDZULOEIW-XHSDSOJGSA-N 1 3 314.539 2.589 20 0 DFADHO FC(F)(F)CCCCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240526 317777981 /nfs/dbraw/zinc/77/79/81/317777981.db2.gz MSJJFLWEDCBVFY-CQSZACIVSA-N 1 3 308.388 2.810 20 0 DFADHO C[C@@H](c1ccccc1F)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240952 317777988 /nfs/dbraw/zinc/77/79/88/317777988.db2.gz OGOHVFNXZRJIOL-GOEBONIOSA-N 1 3 306.425 2.977 20 0 DFADHO Cn1ncc2ccc(C[NH2+]C3CCN(c4ccncc4)CC3)cc21 ZINC000572818774 318004622 /nfs/dbraw/zinc/00/46/22/318004622.db2.gz HENDNUBSTIGFBB-UHFFFAOYSA-N 1 3 321.428 2.727 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](Nc2cccc(CN3CCSCC3)c2)C1 ZINC000573020615 318011436 /nfs/dbraw/zinc/01/14/36/318011436.db2.gz QFOFADKFNXEACE-NVXWUHKLSA-N 1 3 305.491 2.917 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccnc3ccccc23)CC1 ZINC000575868713 318088656 /nfs/dbraw/zinc/08/86/56/318088656.db2.gz IXONNCVULDZMKB-MJGOQNOKSA-N 1 3 311.429 2.563 20 0 DFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000575984660 318095890 /nfs/dbraw/zinc/09/58/90/318095890.db2.gz BRLASLJXOJMYOF-RDJZCZTQSA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000575984660 318095891 /nfs/dbraw/zinc/09/58/91/318095891.db2.gz BRLASLJXOJMYOF-RDJZCZTQSA-N 1 3 317.477 2.559 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCNc2cccc(Br)c2)C1 ZINC000576767686 318149209 /nfs/dbraw/zinc/14/92/09/318149209.db2.gz OYSGSIVWGXFZQP-OCCSQVGLSA-N 1 3 312.255 2.721 20 0 DFADHO CC[C@@H]1CN(C[C@@H](O)C[N@H+](C)CC)CC[C@H]1c1ccccc1 ZINC000577454581 318193468 /nfs/dbraw/zinc/19/34/68/318193468.db2.gz NRJKOJKMFBTEHW-NZSAHSFTSA-N 1 3 304.478 2.815 20 0 DFADHO CC[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CC)CC[C@H]1c1ccccc1 ZINC000577454581 318193470 /nfs/dbraw/zinc/19/34/70/318193470.db2.gz NRJKOJKMFBTEHW-NZSAHSFTSA-N 1 3 304.478 2.815 20 0 DFADHO C[C@H](Cc1ccsc1)NCc1ccncc1OCC[NH+](C)C ZINC000577539129 318200187 /nfs/dbraw/zinc/20/01/87/318200187.db2.gz SMVXVAAFXCNPHC-CQSZACIVSA-N 1 3 319.474 2.804 20 0 DFADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000577740103 318213894 /nfs/dbraw/zinc/21/38/94/318213894.db2.gz GOZONXDGSVOFHU-FMKPAKJESA-N 1 3 314.433 2.818 20 0 DFADHO C[C@H](N[C@@H]1CCN(c2c(F)cccc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000577829013 318219518 /nfs/dbraw/zinc/21/95/18/318219518.db2.gz HKMFYDITCRBCIB-BFHYXJOUSA-N 1 3 309.404 2.521 20 0 DFADHO COc1cncc(/C=C\CCN2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000577949963 318227838 /nfs/dbraw/zinc/22/78/38/318227838.db2.gz MMDLQOAOYOFDSY-IMXKFXGHSA-N 1 3 303.450 2.910 20 0 DFADHO COc1cncc(/C=C\CC[N@@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000577949963 318227842 /nfs/dbraw/zinc/22/78/42/318227842.db2.gz MMDLQOAOYOFDSY-IMXKFXGHSA-N 1 3 303.450 2.910 20 0 DFADHO COc1cncc(/C=C\CC[N@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000577949963 318227843 /nfs/dbraw/zinc/22/78/43/318227843.db2.gz MMDLQOAOYOFDSY-IMXKFXGHSA-N 1 3 303.450 2.910 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CO1 ZINC000577952262 318227926 /nfs/dbraw/zinc/22/79/26/318227926.db2.gz ARLHVITXOHGEMY-VYDXJSESSA-N 1 3 316.445 2.742 20 0 DFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC(CC[NH3+])CC1 ZINC000578329717 318254065 /nfs/dbraw/zinc/25/40/65/318254065.db2.gz LJKIKCJPLHOZKM-HOTGVXAUSA-N 1 3 317.477 2.622 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618583 318273059 /nfs/dbraw/zinc/27/30/59/318273059.db2.gz HXGUAVGJIYASFX-AOIWGVFYSA-N 1 3 304.478 2.861 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618583 318273062 /nfs/dbraw/zinc/27/30/62/318273062.db2.gz HXGUAVGJIYASFX-AOIWGVFYSA-N 1 3 304.478 2.861 20 0 DFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618583 318273065 /nfs/dbraw/zinc/27/30/65/318273065.db2.gz HXGUAVGJIYASFX-AOIWGVFYSA-N 1 3 304.478 2.861 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000578981623 318299555 /nfs/dbraw/zinc/29/95/55/318299555.db2.gz PSCGQSYIIJUYGS-JUFRUHRKSA-N 1 3 302.462 2.756 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000578981623 318299556 /nfs/dbraw/zinc/29/95/56/318299556.db2.gz PSCGQSYIIJUYGS-JUFRUHRKSA-N 1 3 302.462 2.756 20 0 DFADHO CCc1cccc(OCCN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000579123809 318309023 /nfs/dbraw/zinc/30/90/23/318309023.db2.gz WNNZUHIZRNJWJC-GOSISDBHSA-N 1 3 302.462 2.949 20 0 DFADHO C[C@H](NCCOc1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000579341999 318323489 /nfs/dbraw/zinc/32/34/89/318323489.db2.gz IUTXGXIBFBSBRS-NWDGAFQWSA-N 1 3 300.805 2.836 20 0 DFADHO C[C@H](NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386629948 323319646 /nfs/dbraw/zinc/31/96/46/323319646.db2.gz ZXKTZIGTATWQIH-YTQUADARSA-N 1 3 301.478 2.944 20 0 DFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000387494153 323325646 /nfs/dbraw/zinc/32/56/46/323325646.db2.gz AZVXJSLAKOGOIW-NVXWUHKLSA-N 1 3 319.493 2.647 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CNCc2ccccc21 ZINC000390913348 323343371 /nfs/dbraw/zinc/34/33/71/323343371.db2.gz ZSWMDLXHXAROBY-YJBOKZPZSA-N 1 3 317.477 2.500 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000397516382 323355745 /nfs/dbraw/zinc/35/57/45/323355745.db2.gz SDFODMXSBPLAIY-NUVRTYOOSA-N 1 3 306.494 2.638 20 0 DFADHO CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1ccncc1OCCN(C)C ZINC000581630791 323551938 /nfs/dbraw/zinc/55/19/38/323551938.db2.gz CXNNXYLDUNUGOZ-SJORKVTESA-N 1 3 305.466 2.936 20 0 DFADHO C[C@H](N[C@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000583928698 323936605 /nfs/dbraw/zinc/93/66/05/323936605.db2.gz ZYHVCIMKPYRDKY-UXLLHSPISA-N 1 3 305.441 2.772 20 0 DFADHO C[C@H](CC(C)(C)C)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000294983750 533721055 /nfs/dbraw/zinc/72/10/55/533721055.db2.gz HCGVTFOCJVRFRM-OAHLLOKOSA-N 1 3 319.493 2.892 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)[C@@H](C)O1 ZINC000294722136 533952044 /nfs/dbraw/zinc/95/20/44/533952044.db2.gz BXYOFMOFIUMYTQ-FPAYPSAMSA-N 1 3 302.462 2.707 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H](C)O1 ZINC000294722136 533952060 /nfs/dbraw/zinc/95/20/60/533952060.db2.gz BXYOFMOFIUMYTQ-FPAYPSAMSA-N 1 3 302.462 2.707 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H](C)O1 ZINC000294722136 533952078 /nfs/dbraw/zinc/95/20/78/533952078.db2.gz BXYOFMOFIUMYTQ-FPAYPSAMSA-N 1 3 302.462 2.707 20 0 DFADHO C[C@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCC[C@@H]1O ZINC000297322979 534175806 /nfs/dbraw/zinc/17/58/06/534175806.db2.gz CKQGJRRFLNAALX-ZWKOTPCHSA-N 1 3 303.450 2.581 20 0 DFADHO CC[C@@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000163910685 522395418 /nfs/dbraw/zinc/39/54/18/522395418.db2.gz BXTLMLQNYSAWSD-RVKKMQEKSA-N 1 3 308.466 2.685 20 0 DFADHO CN1CC[C@@H](CNC(=O)CC(C)(C)[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000366324713 523958296 /nfs/dbraw/zinc/95/82/96/523958296.db2.gz BAUJMTUHVAAOFL-XJKSGUPXSA-N 1 3 323.868 2.576 20 0 DFADHO C[N@@H+]1CC[C@H](NCCN2CCc3ccccc3C2)[C@@H]2CCC[C@H]21 ZINC000367616179 523988196 /nfs/dbraw/zinc/98/81/96/523988196.db2.gz LKJJSPCPCXGCAU-SLFFLAALSA-N 1 3 313.489 2.507 20 0 DFADHO C[N@H+]1CC[C@H](NCCN2CCc3ccccc3C2)[C@@H]2CCC[C@H]21 ZINC000367616179 523988199 /nfs/dbraw/zinc/98/81/99/523988199.db2.gz LKJJSPCPCXGCAU-SLFFLAALSA-N 1 3 313.489 2.507 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000157591218 524097249 /nfs/dbraw/zinc/09/72/49/524097249.db2.gz YLYZLFMNWUXMJX-AEFFLSMTSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000157591218 524097259 /nfs/dbraw/zinc/09/72/59/524097259.db2.gz YLYZLFMNWUXMJX-AEFFLSMTSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H](CCCC(F)(F)F)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000359636855 524134571 /nfs/dbraw/zinc/13/45/71/524134571.db2.gz JHCHKAOXXMFJEY-CYBMUJFWSA-N 1 3 309.420 2.723 20 0 DFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH+]1CCC(C)CC1 ZINC000155992274 524467258 /nfs/dbraw/zinc/46/72/58/524467258.db2.gz HHZWMTQXKHANFA-MRXNPFEDSA-N 1 3 317.477 2.598 20 0 DFADHO O=C(NCCC[C@H]1CCC[NH2+]1)c1cccc(CN2CCCC2)c1 ZINC000294822041 534848952 /nfs/dbraw/zinc/84/89/52/534848952.db2.gz KRWGQJGBVVDAQR-GOSISDBHSA-N 1 3 315.461 2.544 20 0 DFADHO CCCC[C@@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000362585242 534901400 /nfs/dbraw/zinc/90/14/00/534901400.db2.gz CHBKOEWLAHRCBN-GFCCVEGCSA-N 1 3 303.328 2.620 20 0 DFADHO CCN1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000328297752 527886665 /nfs/dbraw/zinc/88/66/65/527886665.db2.gz WQVCEHPNWLUWGJ-VNTMZGSJSA-N 1 3 313.489 2.581 20 0 DFADHO CC(C)CNC(=[NH2+])NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000309661881 528030132 /nfs/dbraw/zinc/03/01/32/528030132.db2.gz MQBSTKGBKISVET-GOSISDBHSA-N 1 3 302.466 2.669 20 0 DFADHO CC[NH+](CC)CCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000299226872 528111208 /nfs/dbraw/zinc/11/12/08/528111208.db2.gz XKYZWIHLBGXMJC-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO CCC[NH+]1CCC(N(C)C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000292875971 528195142 /nfs/dbraw/zinc/19/51/42/528195142.db2.gz SXYUEWGPARQCKD-GOSISDBHSA-N 1 3 308.441 2.535 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@]1(CC)CC[NH2+]C1)c1ccccc1 ZINC000320491462 528244268 /nfs/dbraw/zinc/24/42/68/528244268.db2.gz VUKVVFYTYXZRHJ-PKOBYXMFSA-N 1 3 317.477 2.575 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccncc2C)[C@H](C)C1 ZINC000294710739 528667741 /nfs/dbraw/zinc/66/77/41/528667741.db2.gz BIXPYHRZFMACEI-AEFFLSMTSA-N 1 3 305.466 2.617 20 0 DFADHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(C(=O)OC)cc1 ZINC000294708891 529158382 /nfs/dbraw/zinc/15/83/82/529158382.db2.gz JKEUGLLNVZFUPI-QGZVFWFLSA-N 1 3 302.418 2.776 20 0 DFADHO CC1(C)[C@H](O)C[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248886123 535092975 /nfs/dbraw/zinc/09/29/75/535092975.db2.gz MCBIZNMAKSZKKG-RHQZKXFESA-N 1 3 314.473 2.931 20 0 DFADHO CC1(C)[C@H](O)C[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248886123 535092977 /nfs/dbraw/zinc/09/29/77/535092977.db2.gz MCBIZNMAKSZKKG-RHQZKXFESA-N 1 3 314.473 2.931 20 0 DFADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000173615264 535161587 /nfs/dbraw/zinc/16/15/87/535161587.db2.gz XBNACQWHHVGBHR-PCKAHOCUSA-N 1 3 309.498 2.532 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000361310529 535549253 /nfs/dbraw/zinc/54/92/53/535549253.db2.gz TUZLURCSAPJHPC-QRVBRYPASA-N 1 3 302.462 2.975 20 0 DFADHO CCN(Cc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1)C1CC1 ZINC000357466375 535782236 /nfs/dbraw/zinc/78/22/36/535782236.db2.gz AIQQOGZBUUJZBJ-UHFFFAOYSA-N 1 3 317.477 2.741 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000261599519 535847184 /nfs/dbraw/zinc/84/71/84/535847184.db2.gz BDWUREOBVUQZRN-USXIJHARSA-N 1 3 305.466 2.559 20 0 DFADHO CN(C)CCOc1cccc(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000261668951 535912926 /nfs/dbraw/zinc/91/29/26/535912926.db2.gz HAPOHUNFOXXFFV-IPMKNSEASA-N 1 3 317.477 2.960 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000361725889 535952396 /nfs/dbraw/zinc/95/23/96/535952396.db2.gz GLNSDMYWKQIJGG-YOEHRIQHSA-N 1 3 309.498 2.521 20 0 DFADHO CN(C)Cc1cccc(C(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000237055424 536025780 /nfs/dbraw/zinc/02/57/80/536025780.db2.gz ADOGMFMQLIEGPY-UHFFFAOYSA-N 1 3 303.450 2.530 20 0 DFADHO CN1CCC(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000174752257 536334895 /nfs/dbraw/zinc/33/48/95/536334895.db2.gz KJHLELNBSLOTHI-UHFFFAOYSA-N 1 3 315.461 2.605 20 0 DFADHO COc1cccc(C[C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)n1 ZINC000357845081 537113488 /nfs/dbraw/zinc/11/34/88/537113488.db2.gz GLSGWSMZRCFNMB-OAHLLOKOSA-N 1 3 305.466 2.733 20 0 DFADHO COc1cccc(C[C@@H](C)NCC(C)(C)C[NH+]2CCCC2)n1 ZINC000357845081 537113491 /nfs/dbraw/zinc/11/34/91/537113491.db2.gz GLSGWSMZRCFNMB-OAHLLOKOSA-N 1 3 305.466 2.733 20 0 DFADHO CC[C@]1(CO)CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000681755451 545717105 /nfs/dbraw/zinc/71/71/05/545717105.db2.gz VIBWBECWPAGFMM-IBGZPJMESA-N 1 3 320.477 2.612 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)C1CCN(C)CC1 ZINC000682376773 545833758 /nfs/dbraw/zinc/83/37/58/545833758.db2.gz HIDWGWHSJTXXBN-MAUKXSAKSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000682409240 545842555 /nfs/dbraw/zinc/84/25/55/545842555.db2.gz LHLOGZZIFDUEET-GJYPPUQNSA-N 1 3 320.477 2.608 20 0 DFADHO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000682409240 545842561 /nfs/dbraw/zinc/84/25/61/545842561.db2.gz LHLOGZZIFDUEET-GJYPPUQNSA-N 1 3 320.477 2.608 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+]Cc3ccc(C(F)F)cc3)C2)CC1 ZINC000684378923 546204680 /nfs/dbraw/zinc/20/46/80/546204680.db2.gz MHYRDLIMBVNCMO-INIZCTEOSA-N 1 3 323.431 2.882 20 0 DFADHO CCCc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000685042648 546323004 /nfs/dbraw/zinc/32/30/04/546323004.db2.gz JQAYHONUXWENJA-UHFFFAOYSA-N 1 3 303.494 2.755 20 0 DFADHO CCc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)s1 ZINC000685458038 546353567 /nfs/dbraw/zinc/35/35/67/546353567.db2.gz YROKZGRTRBSHRF-MRXNPFEDSA-N 1 3 321.534 2.911 20 0 DFADHO CCc1ccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)s1 ZINC000685458038 546353570 /nfs/dbraw/zinc/35/35/70/546353570.db2.gz YROKZGRTRBSHRF-MRXNPFEDSA-N 1 3 321.534 2.911 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000821190134 606207067 /nfs/dbraw/zinc/20/70/67/606207067.db2.gz ZBLDVZMGOMDWRI-GFCCVEGCSA-N 1 3 322.482 2.528 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000821190134 606207069 /nfs/dbraw/zinc/20/70/69/606207069.db2.gz ZBLDVZMGOMDWRI-GFCCVEGCSA-N 1 3 322.482 2.528 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000278249345 214047863 /nfs/dbraw/zinc/04/78/63/214047863.db2.gz MLCNQKCELKWPHD-BZSNNMDCSA-N 1 3 318.461 2.530 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(F)nc2C)[C@@H](C)C1 ZINC000278312521 214082816 /nfs/dbraw/zinc/08/28/16/214082816.db2.gz DCVSOSKBMYQKGL-YOEHRIQHSA-N 1 3 323.456 2.756 20 0 DFADHO Clc1ccc2nc(CNCC3CC[NH+](C4CC4)CC3)cn2c1 ZINC000278502726 214195366 /nfs/dbraw/zinc/19/53/66/214195366.db2.gz ODBLQYUEPQALQH-UHFFFAOYSA-N 1 3 318.852 2.952 20 0 DFADHO OC1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000305861045 231076481 /nfs/dbraw/zinc/07/64/81/231076481.db2.gz LUHLBRUZSLPQSK-AWUBQHKLSA-N 1 3 314.473 2.790 20 0 DFADHO CCOc1ccc(C[NH2+]CCCN2CCCO[C@@H](C)C2)cc1F ZINC000278771416 214390364 /nfs/dbraw/zinc/39/03/64/214390364.db2.gz OVEYCZBKGVVRAT-HNNXBMFYSA-N 1 3 324.440 2.815 20 0 DFADHO Cc1ccc(C)c(OCCCN2CCC(OCCC[NH3+])CC2)c1 ZINC000321485343 231203368 /nfs/dbraw/zinc/20/33/68/231203368.db2.gz HCTHQLCTNWARFD-UHFFFAOYSA-N 1 3 320.477 2.902 20 0 DFADHO C[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)N1CCC(C)CC1 ZINC000236723317 398363495 /nfs/dbraw/zinc/36/34/95/398363495.db2.gz NKRLYOJUQXHWRD-SJLPKXTDSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H]([NH2+]C1(CNC(=O)CNC2CC2)CCCC1)c1ccccc1 ZINC000237401147 398369499 /nfs/dbraw/zinc/36/94/99/398369499.db2.gz NDRBSAXSTHIQTE-OAHLLOKOSA-N 1 3 315.461 2.518 20 0 DFADHO CC(C)CC[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038701 185279357 /nfs/dbraw/zinc/27/93/57/185279357.db2.gz NPGCWBNQTZNHCT-INIZCTEOSA-N 1 3 319.493 2.892 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCC(C)CC2)[C@H]1SC ZINC000459375909 299090936 /nfs/dbraw/zinc/09/09/36/299090936.db2.gz KTWMZDCVETYJKH-BZUAXINKSA-N 1 3 300.512 2.607 20 0 DFADHO C[NH+](C)CCC1CCN(CCC(=O)OCc2ccccc2)CC1 ZINC000181437447 199296558 /nfs/dbraw/zinc/29/65/58/199296558.db2.gz ONLWEFDSJWIWMJ-UHFFFAOYSA-N 1 3 318.461 2.784 20 0 DFADHO C[C@H]1C[C@H](N(C)CCC(=O)OCc2ccccc2)CC[N@@H+]1C ZINC000181470302 199301996 /nfs/dbraw/zinc/30/19/96/199301996.db2.gz SBHKUKJOQGFYPG-DOTOQJQBSA-N 1 3 304.434 2.534 20 0 DFADHO C[C@H]1C[C@H](N(C)CCC(=O)OCc2ccccc2)CC[N@H+]1C ZINC000181470302 199301998 /nfs/dbraw/zinc/30/19/98/199301998.db2.gz SBHKUKJOQGFYPG-DOTOQJQBSA-N 1 3 304.434 2.534 20 0 DFADHO CCCC[C@H](COC)NCc1ccncc1OCCC[NH+](C)C ZINC000290450421 282961288 /nfs/dbraw/zinc/96/12/88/282961288.db2.gz VZKBDLZNEISWTM-QGZVFWFLSA-N 1 3 323.481 2.707 20 0 DFADHO COC(=O)c1ccccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592491672 398433636 /nfs/dbraw/zinc/43/36/36/398433636.db2.gz GLJQQDWOIMKBIT-HZPDHXFCSA-N 1 3 316.445 2.685 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CCOCC1 ZINC000459447240 299108919 /nfs/dbraw/zinc/10/89/19/299108919.db2.gz UKVXFAZRFSNVDR-GOSISDBHSA-N 1 3 303.450 2.845 20 0 DFADHO CN(C)CCOc1cc(C[NH2+]C2CC(C(C)(C)C)C2)ccn1 ZINC000459452736 299110369 /nfs/dbraw/zinc/11/03/69/299110369.db2.gz CJPZEVPULCZLET-UHFFFAOYSA-N 1 3 305.466 2.936 20 0 DFADHO C[C@H]1C[C@H](C)CN(C(C)(C)C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000459464196 299113319 /nfs/dbraw/zinc/11/33/19/299113319.db2.gz IGMPRVZZLMGWCM-HOTGVXAUSA-N 1 3 307.526 2.959 20 0 DFADHO c1nnc(C2CC2)n1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090033658 398474285 /nfs/dbraw/zinc/47/42/85/398474285.db2.gz DRHCTTWWNBGLPE-UHFFFAOYSA-N 1 3 317.481 2.542 20 0 DFADHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CCCC[C@@H]1O ZINC000364986971 282393388 /nfs/dbraw/zinc/39/33/88/282393388.db2.gz LLQYXADKPPCFLL-ROUUACIJSA-N 1 3 303.450 2.533 20 0 DFADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CCCC[C@@H]1O ZINC000364986971 282393391 /nfs/dbraw/zinc/39/33/91/282393391.db2.gz LLQYXADKPPCFLL-ROUUACIJSA-N 1 3 303.450 2.533 20 0 DFADHO C[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000090911312 398497400 /nfs/dbraw/zinc/49/74/00/398497400.db2.gz SULWTAPPARYECR-FMKPAKJESA-N 1 3 314.433 2.770 20 0 DFADHO C[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000090911312 398497403 /nfs/dbraw/zinc/49/74/03/398497403.db2.gz SULWTAPPARYECR-FMKPAKJESA-N 1 3 314.433 2.770 20 0 DFADHO CC1(C)CCC[C@@](O)(C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459527454 299125857 /nfs/dbraw/zinc/12/58/57/299125857.db2.gz YWPUJMJFUVGBTK-IBGZPJMESA-N 1 3 317.477 2.971 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000272681706 210085158 /nfs/dbraw/zinc/08/51/58/210085158.db2.gz NDUJZMLWGAPHQJ-FYQPLNBISA-N 1 3 314.473 2.913 20 0 DFADHO OC[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)CC1CCCC1 ZINC000459549251 299131447 /nfs/dbraw/zinc/13/14/47/299131447.db2.gz ZCMUQDMFTCPRNK-KRWDZBQOSA-N 1 3 317.477 2.829 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272674585 210078564 /nfs/dbraw/zinc/07/85/64/210078564.db2.gz QOFXJAMPHBLNSU-UHOSZYNNSA-N 1 3 301.478 2.581 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000315823575 398528181 /nfs/dbraw/zinc/52/81/81/398528181.db2.gz GXMMQCYQWGFZNU-OAHLLOKOSA-N 1 3 303.450 2.857 20 0 DFADHO C[NH+]1CCC(C)(CNCc2cnn(Cc3ccccc3)c2)CC1 ZINC000272613496 210014894 /nfs/dbraw/zinc/01/48/94/210014894.db2.gz VAECWELXWVKHNU-UHFFFAOYSA-N 1 3 312.461 2.753 20 0 DFADHO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000272612514 210014147 /nfs/dbraw/zinc/01/41/47/210014147.db2.gz WOBKMHWOVIVDIS-UJMXGEILSA-N 1 3 314.473 2.790 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+][C@H](CCO)C(C)(C)C)cc1 ZINC000589510502 398558366 /nfs/dbraw/zinc/55/83/66/398558366.db2.gz VDOVOEBQXGHONW-QGZVFWFLSA-N 1 3 308.466 2.514 20 0 DFADHO C[C@@H](c1cccc2ccccc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000323624265 398560642 /nfs/dbraw/zinc/56/06/42/398560642.db2.gz OJIPKQXUGAVYME-FUHWJXTLSA-N 1 3 309.457 2.880 20 0 DFADHO C[C@H](c1cccc2ccccc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000323624267 398560917 /nfs/dbraw/zinc/56/09/17/398560917.db2.gz OJIPKQXUGAVYME-SJLPKXTDSA-N 1 3 309.457 2.880 20 0 DFADHO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)CS1 ZINC000277343058 213459485 /nfs/dbraw/zinc/45/94/85/213459485.db2.gz VFMVTUQMUQDZSY-HOTGVXAUSA-N 1 3 323.506 2.642 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2cccc(OC)c2)N(C)C)[C@H](C)C1 ZINC000133647461 186002744 /nfs/dbraw/zinc/00/27/44/186002744.db2.gz FBOUMTGUAIKONO-MNEFBYGVSA-N 1 3 319.493 2.618 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](c2cccc(OC)c2)N(C)C)[C@H](C)C1 ZINC000133647461 186002745 /nfs/dbraw/zinc/00/27/45/186002745.db2.gz FBOUMTGUAIKONO-MNEFBYGVSA-N 1 3 319.493 2.618 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2cccc(OC)c2)N(C)C)[C@H](C)C1 ZINC000133647461 186002746 /nfs/dbraw/zinc/00/27/46/186002746.db2.gz FBOUMTGUAIKONO-MNEFBYGVSA-N 1 3 319.493 2.618 20 0 DFADHO CC(C)n1cnnc1[C@H]1CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000093201868 398623962 /nfs/dbraw/zinc/62/39/62/398623962.db2.gz SWONOUOJXWTPAW-HOTGVXAUSA-N 1 3 305.470 2.523 20 0 DFADHO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000093201868 398623967 /nfs/dbraw/zinc/62/39/67/398623967.db2.gz SWONOUOJXWTPAW-HOTGVXAUSA-N 1 3 305.470 2.523 20 0 DFADHO c1cc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)c[nH]1 ZINC000175698926 186189664 /nfs/dbraw/zinc/18/96/64/186189664.db2.gz MKIUAJIBLQEKLX-UHFFFAOYSA-N 1 3 312.461 2.707 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2cncc(C)c2)CC1 ZINC000189982089 186258707 /nfs/dbraw/zinc/25/87/07/186258707.db2.gz NEDIFMCREXVBMJ-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cncc(C)c2)CC1 ZINC000189982089 186258709 /nfs/dbraw/zinc/25/87/09/186258709.db2.gz NEDIFMCREXVBMJ-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cccc(OCCN(C)C)c1 ZINC000188025478 186245858 /nfs/dbraw/zinc/24/58/58/186245858.db2.gz PVHOVTORFXHQLN-FCEWJHQRSA-N 1 3 320.477 2.829 20 0 DFADHO CCOC(=O)CCNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189952060 186253846 /nfs/dbraw/zinc/25/38/46/186253846.db2.gz PEEQYMVNRAAWJC-HZPDHXFCSA-N 1 3 318.461 2.686 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCCC1 ZINC000268753932 186379449 /nfs/dbraw/zinc/37/94/49/186379449.db2.gz WOJCLHJEWSYKHF-UYAOXDASSA-N 1 3 315.505 2.973 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000268758661 186381679 /nfs/dbraw/zinc/38/16/79/186381679.db2.gz GBTWHCWLMLXMPD-RYRKJORJSA-N 1 3 316.493 2.890 20 0 DFADHO COc1cc2c(c(CNCC[C@H]3CCC[N@H+](C)C3)c1)O[C@@H](C)C2 ZINC000459731306 299175058 /nfs/dbraw/zinc/17/50/58/299175058.db2.gz LKFMWKKSRHVBLO-LSDHHAIUSA-N 1 3 318.461 2.840 20 0 DFADHO COc1cc2c(c(CNCC[C@H]3CCC[N@@H+](C)C3)c1)O[C@@H](C)C2 ZINC000459731306 299175059 /nfs/dbraw/zinc/17/50/59/299175059.db2.gz LKFMWKKSRHVBLO-LSDHHAIUSA-N 1 3 318.461 2.840 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(-n2ccnc2)c(F)c1 ZINC000414804235 295821135 /nfs/dbraw/zinc/82/11/35/295821135.db2.gz OKZCLFURZAXTBG-GOEBONIOSA-N 1 3 302.397 2.619 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414823129 295822294 /nfs/dbraw/zinc/82/22/94/295822294.db2.gz AZRVLMNZBMRGKC-RDBSUJKOSA-N 1 3 307.413 2.521 20 0 DFADHO CCCOc1c(CNCC[C@H]2CC[NH2+]C2)cccc1OCC ZINC000414826635 295823058 /nfs/dbraw/zinc/82/30/58/295823058.db2.gz FWUJUQXEOBTMQQ-OAHLLOKOSA-N 1 3 306.450 2.963 20 0 DFADHO COc1cccc2c1C[C@@H]([NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000459741379 299178843 /nfs/dbraw/zinc/17/88/43/299178843.db2.gz ZWPUTUYGTASUKE-KRWDZBQOSA-N 1 3 323.440 2.816 20 0 DFADHO COc1ccc(CNCC[C@@H]2CCC[NH2+]C2)c(Cl)c1OC ZINC000414846802 295825439 /nfs/dbraw/zinc/82/54/39/295825439.db2.gz HZVNDYDKAUFLMV-LBPRGKRZSA-N 1 3 312.841 2.837 20 0 DFADHO C[C@@H](Cc1ccc(Br)c(F)c1)NC[C@@H]1CC[NH2+]C1 ZINC000414897968 295831817 /nfs/dbraw/zinc/83/18/17/295831817.db2.gz ALIJGQPAWMBGJG-CMPLNLGQSA-N 1 3 315.230 2.718 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H]1CC[NH2+]C1 ZINC000414917015 295834452 /nfs/dbraw/zinc/83/44/52/295834452.db2.gz QUVCRQNXZVSAIC-CHWSQXEVSA-N 1 3 309.841 2.565 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000414929506 295836436 /nfs/dbraw/zinc/83/64/36/295836436.db2.gz RPIHFTIEPPURFN-STQMWFEESA-N 1 3 302.340 2.987 20 0 DFADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786175 398673547 /nfs/dbraw/zinc/67/35/47/398673547.db2.gz FNWOJIBOVMPTGE-HNNXBMFYSA-N 1 3 311.514 2.732 20 0 DFADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786175 398673552 /nfs/dbraw/zinc/67/35/52/398673552.db2.gz FNWOJIBOVMPTGE-HNNXBMFYSA-N 1 3 311.514 2.732 20 0 DFADHO CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000590786829 398673798 /nfs/dbraw/zinc/67/37/98/398673798.db2.gz OAMSBUJZJXIPIR-QGZVFWFLSA-N 1 3 323.525 2.830 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000590786829 398673801 /nfs/dbraw/zinc/67/38/01/398673801.db2.gz OAMSBUJZJXIPIR-QGZVFWFLSA-N 1 3 323.525 2.830 20 0 DFADHO C[C@@H](CCC[NH3+])NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000415026394 295848259 /nfs/dbraw/zinc/84/82/59/295848259.db2.gz UEGQHGPGJYVVBE-NSHDSACASA-N 1 3 319.430 2.756 20 0 DFADHO CCOc1cccc(CN[C@@H]2CC[C@H](C[NH3+])C2)c1OC(F)F ZINC000415040728 295850153 /nfs/dbraw/zinc/85/01/53/295850153.db2.gz PFLQZVCLXLCTBF-WCQYABFASA-N 1 3 314.376 2.904 20 0 DFADHO CN(C)c1ncc(CN[C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000415047159 295851086 /nfs/dbraw/zinc/85/10/86/295851086.db2.gz DXCOYXSQCGWTNR-HNNXBMFYSA-N 1 3 304.463 2.779 20 0 DFADHO CNC(=O)c1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415051947 295851633 /nfs/dbraw/zinc/85/16/33/295851633.db2.gz KEMRLADMIIHROS-GOSISDBHSA-N 1 3 311.429 2.616 20 0 DFADHO CC(C)[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000415079420 295855248 /nfs/dbraw/zinc/85/52/48/295855248.db2.gz KCOZCWLHVDJNMQ-CRAIPNDOSA-N 1 3 304.434 2.887 20 0 DFADHO COc1ccc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000415075758 295855004 /nfs/dbraw/zinc/85/50/04/295855004.db2.gz ACBJQKPFHNCIRD-KSZLIROESA-N 1 3 304.434 2.584 20 0 DFADHO [NH3+]CC1CCC(NCc2cccnc2OCC(F)(F)F)CC1 ZINC000415081174 295855542 /nfs/dbraw/zinc/85/55/42/295855542.db2.gz JZHOJLZNKWGFNW-UHFFFAOYSA-N 1 3 317.355 2.630 20 0 DFADHO CCOc1cccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415102502 295858399 /nfs/dbraw/zinc/85/83/99/295858399.db2.gz CKCHYPAKRSEWEJ-RTBURBONSA-N 1 3 318.461 2.804 20 0 DFADHO Cc1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1F ZINC000415121226 295860884 /nfs/dbraw/zinc/86/08/84/295860884.db2.gz HSYVLDKUSOWZTE-FUHWJXTLSA-N 1 3 306.425 2.852 20 0 DFADHO COc1ccc(C)cc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415119911 295860962 /nfs/dbraw/zinc/86/09/62/295860962.db2.gz FLVGXWHRYKXZSB-PKOBYXMFSA-N 1 3 318.461 2.722 20 0 DFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C/C=C\c3ccccc3)CC2)C1 ZINC000415131060 295862517 /nfs/dbraw/zinc/86/25/17/295862517.db2.gz YKNBJHIZQQLEEF-IXXMMVOQSA-N 1 3 300.446 2.918 20 0 DFADHO COc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1C ZINC000415130352 295862544 /nfs/dbraw/zinc/86/25/44/295862544.db2.gz QPQUBGPRIOWGGZ-PKOBYXMFSA-N 1 3 318.461 2.722 20 0 DFADHO CCC[C@@H]([NH3+])C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000236799213 202014892 /nfs/dbraw/zinc/01/48/92/202014892.db2.gz MXFVKNHBUXLYTJ-OAHLLOKOSA-N 1 3 321.490 2.610 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129250468 283008090 /nfs/dbraw/zinc/00/80/90/283008090.db2.gz KSXMOQJILHDXOI-UKRRQHHQSA-N 1 3 321.431 2.723 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)Nc1ccccc1C[NH2+]C ZINC000415901855 295899826 /nfs/dbraw/zinc/89/98/26/295899826.db2.gz NOKKBYPZCGTJQH-UHFFFAOYSA-N 1 3 318.465 2.746 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccnc2C)[C@H](C)C1 ZINC000115628379 398754750 /nfs/dbraw/zinc/75/47/50/398754750.db2.gz OWUYXKGBAQMJNF-QAPCUYQASA-N 1 3 305.466 2.617 20 0 DFADHO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000416008315 295911340 /nfs/dbraw/zinc/91/13/40/295911340.db2.gz MGVZGGZSFVSZFN-UHFFFAOYSA-N 1 3 304.438 2.532 20 0 DFADHO CC[NH+](CC)CC1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000047973888 398766818 /nfs/dbraw/zinc/76/68/18/398766818.db2.gz DANCHUNHHGYEQV-IAGOWNOFSA-N 1 3 323.525 2.830 20 0 DFADHO CCc1ccc([C@H](C[NH2+][C@H]2CCN(C)C[C@@H]2C)N(C)C)cc1 ZINC000133851215 283164363 /nfs/dbraw/zinc/16/43/63/283164363.db2.gz ZQUSJUIYOXUYFG-SNRMKQJTSA-N 1 3 303.494 2.782 20 0 DFADHO CCc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000133851215 283164368 /nfs/dbraw/zinc/16/43/68/283164368.db2.gz ZQUSJUIYOXUYFG-SNRMKQJTSA-N 1 3 303.494 2.782 20 0 DFADHO CCc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000133851215 283164371 /nfs/dbraw/zinc/16/43/71/283164371.db2.gz ZQUSJUIYOXUYFG-SNRMKQJTSA-N 1 3 303.494 2.782 20 0 DFADHO CCn1nc(C)c(CN2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000134207260 283176529 /nfs/dbraw/zinc/17/65/29/283176529.db2.gz WRSZMBXPWMFULW-UHFFFAOYSA-N 1 3 304.482 2.828 20 0 DFADHO CCC(CC)(CNC(=O)[C@@H](N)C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000236856776 202039183 /nfs/dbraw/zinc/03/91/83/202039183.db2.gz LVLGCCLBEMSLRK-RDJZCZTQSA-N 1 3 319.493 2.996 20 0 DFADHO CCC([NH3+])(CC)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000236834367 202031742 /nfs/dbraw/zinc/03/17/42/202031742.db2.gz AJDFAMNTZKDOSP-UHFFFAOYSA-N 1 3 303.450 2.530 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236886924 202053369 /nfs/dbraw/zinc/05/33/69/202053369.db2.gz HCHWIHGEGBTCSE-QAPCUYQASA-N 1 3 317.477 2.662 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236886924 202053373 /nfs/dbraw/zinc/05/33/73/202053373.db2.gz HCHWIHGEGBTCSE-QAPCUYQASA-N 1 3 317.477 2.662 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccsc1 ZINC000236880790 202049605 /nfs/dbraw/zinc/04/96/05/202049605.db2.gz GWALBDDQXDMJMC-FVQBIDKESA-N 1 3 323.506 2.765 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000236900142 202060394 /nfs/dbraw/zinc/06/03/94/202060394.db2.gz FJQIGXUFUHENTL-WMLDXEAASA-N 1 3 321.465 2.719 20 0 DFADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@]2(C)CCCCN2)c1 ZINC000236929051 202076848 /nfs/dbraw/zinc/07/68/48/202076848.db2.gz MHNJDRXFZAYOEU-GOSISDBHSA-N 1 3 303.450 2.999 20 0 DFADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@]2(C)CCCCN2)c1 ZINC000236929994 202077201 /nfs/dbraw/zinc/07/72/01/202077201.db2.gz MHNJDRXFZAYOEU-SFHVURJKSA-N 1 3 303.450 2.999 20 0 DFADHO CCC[NH+]1CCC(NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000121646601 398788863 /nfs/dbraw/zinc/78/88/63/398788863.db2.gz SNXMKVFBXVRQLP-IBGZPJMESA-N 1 3 303.494 2.623 20 0 DFADHO CCCN1CCC([NH2+]C[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000121646601 398788867 /nfs/dbraw/zinc/78/88/67/398788867.db2.gz SNXMKVFBXVRQLP-IBGZPJMESA-N 1 3 303.494 2.623 20 0 DFADHO CCC[C@H](C)[C@H]1CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135348913 283216203 /nfs/dbraw/zinc/21/62/03/283216203.db2.gz CYFRDXYDHAQKTE-FUHWJXTLSA-N 1 3 323.525 2.876 20 0 DFADHO Cc1ccc([C@@H](CNC(=O)CCCCCC[NH3+])N(C)C)cc1 ZINC000237190055 202183021 /nfs/dbraw/zinc/18/30/21/202183021.db2.gz RXZXDNPXEDEEJS-QGZVFWFLSA-N 1 3 305.466 2.623 20 0 DFADHO COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000125860945 398809081 /nfs/dbraw/zinc/80/90/81/398809081.db2.gz XRTJYGJZVRRXQE-OALUTQOASA-N 1 3 304.478 2.954 20 0 DFADHO COC[C@@H]([NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000180180718 199127821 /nfs/dbraw/zinc/12/78/21/199127821.db2.gz SAEUNOXVGQXAMS-LWYYNNOASA-N 1 3 314.473 2.912 20 0 DFADHO CCC(CC)[C@H](CN[C@H](C)[C@H]1C[C@H]1C(=O)OC)[NH+]1CCCC1 ZINC000594914177 398869718 /nfs/dbraw/zinc/86/97/18/398869718.db2.gz DZKUOULZQMCMKH-DZUCGIPZSA-N 1 3 310.482 2.674 20 0 DFADHO C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[C@@H](N)c1ccccc1 ZINC000237395997 202252845 /nfs/dbraw/zinc/25/28/45/202252845.db2.gz XKMGCYIECDJXHE-CGTJXYLNSA-N 1 3 317.477 2.655 20 0 DFADHO C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[C@@H](N)c1ccccc1 ZINC000237395997 202252848 /nfs/dbraw/zinc/25/28/48/202252848.db2.gz XKMGCYIECDJXHE-CGTJXYLNSA-N 1 3 317.477 2.655 20 0 DFADHO CCc1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000180927569 199229559 /nfs/dbraw/zinc/22/95/59/199229559.db2.gz AIKMGJJQJDKXPC-UHFFFAOYSA-N 1 3 303.494 2.707 20 0 DFADHO CCc1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000180927569 199229560 /nfs/dbraw/zinc/22/95/60/199229560.db2.gz AIKMGJJQJDKXPC-UHFFFAOYSA-N 1 3 303.494 2.707 20 0 DFADHO C[C@@H](CSCCF)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000595019670 398893147 /nfs/dbraw/zinc/89/31/47/398893147.db2.gz PBOCNVQTFDSPBK-SOUVJXGZSA-N 1 3 306.491 2.557 20 0 DFADHO CN1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3)s2)CC1 ZINC000077450458 398904663 /nfs/dbraw/zinc/90/46/63/398904663.db2.gz RGCHLIZJJGQLJS-UHFFFAOYSA-N 1 3 316.470 2.961 20 0 DFADHO C[C@@H]1C[C@H](NC(=O)CCCCCC[NH3+])CN1Cc1ccccc1 ZINC000237438936 202266034 /nfs/dbraw/zinc/26/60/34/202266034.db2.gz UXZZMEKYUTWUKY-AEFFLSMTSA-N 1 3 317.477 2.675 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1cccc(F)c1 ZINC000187765964 200154096 /nfs/dbraw/zinc/15/40/96/200154096.db2.gz DHQRLIWXHWOYGN-GOSISDBHSA-N 1 3 307.457 2.894 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1cccc(F)c1 ZINC000187765948 200154329 /nfs/dbraw/zinc/15/43/29/200154329.db2.gz DHQRLIWXHWOYGN-SFHVURJKSA-N 1 3 307.457 2.894 20 0 DFADHO CSC[C@@H](O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000187932188 200178393 /nfs/dbraw/zinc/17/83/93/200178393.db2.gz OQNMWUQNELOTQO-SZMVWBNQSA-N 1 3 322.518 2.695 20 0 DFADHO CSC[C@@H](O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000187932188 200178394 /nfs/dbraw/zinc/17/83/94/200178394.db2.gz OQNMWUQNELOTQO-SZMVWBNQSA-N 1 3 322.518 2.695 20 0 DFADHO COC[C@@H](NCCC[NH+](C(C)C)C(C)C)C1CCOCC1 ZINC000188100167 283471983 /nfs/dbraw/zinc/47/19/83/283471983.db2.gz NHAIXTOHWBFSQJ-QGZVFWFLSA-N 1 3 300.487 2.527 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc([S@@](C)=O)cc1 ZINC000599072023 398917250 /nfs/dbraw/zinc/91/72/50/398917250.db2.gz WVFJNWYIZFSDTL-PDSXEYIOSA-N 1 3 308.491 2.807 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000237606645 202300813 /nfs/dbraw/zinc/30/08/13/202300813.db2.gz KJHZORYBZDLDPV-GOEBONIOSA-N 1 3 303.450 2.713 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc3c[nH]nc3c2)C[C@H](C)O1 ZINC000237610056 202301896 /nfs/dbraw/zinc/30/18/96/202301896.db2.gz VPMOIJXIFKRMFX-GJZGRUSLSA-N 1 3 316.449 2.542 20 0 DFADHO CCCC[N@H+](C)CC1CCN(CCOC[C@H]2CCCO2)CC1 ZINC000152323144 398930549 /nfs/dbraw/zinc/93/05/49/398930549.db2.gz SOLOIYVWPBARLE-GOSISDBHSA-N 1 3 312.498 2.626 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(CCOC[C@H]2CCCO2)CC1 ZINC000152323144 398930554 /nfs/dbraw/zinc/93/05/54/398930554.db2.gz SOLOIYVWPBARLE-GOSISDBHSA-N 1 3 312.498 2.626 20 0 DFADHO C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1cccc(OCCN(C)C)c1 ZINC000281155352 216116717 /nfs/dbraw/zinc/11/67/17/216116717.db2.gz OTTVRMWAVMGOTJ-MAUKXSAKSA-N 1 3 320.477 2.829 20 0 DFADHO O[C@H]1CC[C@@H](C[NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000189329867 200383482 /nfs/dbraw/zinc/38/34/82/200383482.db2.gz GKESKQXWQQGAHL-CXQPBAHBSA-N 1 3 314.473 2.648 20 0 DFADHO FC(F)CN1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000417383313 296015492 /nfs/dbraw/zinc/01/54/92/296015492.db2.gz KGYFOXGJVQTXFA-HNNXBMFYSA-N 1 3 315.452 2.713 20 0 DFADHO C[C@H]([NH2+]CCCCCCO)c1cccc(OCCN(C)C)c1 ZINC000271893651 209303053 /nfs/dbraw/zinc/30/30/53/209303053.db2.gz SRIDFRPIOAGAJO-INIZCTEOSA-N 1 3 308.466 2.830 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H](C)N(CCC[NH+]2CCCCC2)[C@@H]1C ZINC000595553908 398968724 /nfs/dbraw/zinc/96/87/24/398968724.db2.gz AVESIVJYUSQCLB-GVDBMIGSSA-N 1 3 310.482 2.915 20 0 DFADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(CC[NH+](C)C)CC1 ZINC000056523605 398978234 /nfs/dbraw/zinc/97/82/34/398978234.db2.gz ZHTPIGAZEHJDNX-IXDOHACOSA-N 1 3 323.525 2.543 20 0 DFADHO C[N@H+]1CC=C(CNCc2ccc(OC(F)F)c(F)c2)CC1 ZINC000271867170 209281348 /nfs/dbraw/zinc/28/13/48/209281348.db2.gz WNSUCBMCOMRSJG-UHFFFAOYSA-N 1 3 300.324 2.779 20 0 DFADHO C[N@@H+]1CC=C(CNCc2ccc(OC(F)F)c(F)c2)CC1 ZINC000271867170 209281350 /nfs/dbraw/zinc/28/13/50/209281350.db2.gz WNSUCBMCOMRSJG-UHFFFAOYSA-N 1 3 300.324 2.779 20 0 DFADHO Cc1ccc(OC(F)F)c([C@H](C)NCCOCC[NH+](C)C)c1 ZINC000447591660 297310004 /nfs/dbraw/zinc/31/00/04/297310004.db2.gz DZVCXZHJHWYGGU-ZDUSSCGKSA-N 1 3 316.392 2.825 20 0 DFADHO C[C@@H](NCCOCC[NH+](C)C)c1cccc(OC(F)(F)F)c1 ZINC000447591542 297310006 /nfs/dbraw/zinc/31/00/06/297310006.db2.gz DLIBMIWSIUAKOK-GFCCVEGCSA-N 1 3 320.355 2.814 20 0 DFADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2C(=O)N(C)C)C[C@H]1C ZINC000417796564 296051700 /nfs/dbraw/zinc/05/17/00/296051700.db2.gz SKJSCPZQCLXNOG-WBVHZDCISA-N 1 3 317.477 2.693 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2C(=O)N(C)C)C[C@H]1C ZINC000417796564 296051702 /nfs/dbraw/zinc/05/17/02/296051702.db2.gz SKJSCPZQCLXNOG-WBVHZDCISA-N 1 3 317.477 2.693 20 0 DFADHO C[NH2+]CCC1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000417808894 296053328 /nfs/dbraw/zinc/05/33/28/296053328.db2.gz LZXXEIUWMMSDFE-KRWDZBQOSA-N 1 3 317.477 2.561 20 0 DFADHO CC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000475127096 299343845 /nfs/dbraw/zinc/34/38/45/299343845.db2.gz AURBVZXAIGUEND-IAGOWNOFSA-N 1 3 319.493 2.820 20 0 DFADHO CC1(C)C[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CO1 ZINC000417942322 296064922 /nfs/dbraw/zinc/06/49/22/296064922.db2.gz SXNMGFNYNBXJKV-KRWDZBQOSA-N 1 3 318.461 2.818 20 0 DFADHO CCCOc1ccc(CNCC2=CC[N@H+](C)CC2)cc1OC ZINC000271809213 209234381 /nfs/dbraw/zinc/23/43/81/209234381.db2.gz KKXZJMWRYRWYAH-UHFFFAOYSA-N 1 3 304.434 2.836 20 0 DFADHO CCCOc1ccc(CNCC2=CC[N@@H+](C)CC2)cc1OC ZINC000271809213 209234382 /nfs/dbraw/zinc/23/43/82/209234382.db2.gz KKXZJMWRYRWYAH-UHFFFAOYSA-N 1 3 304.434 2.836 20 0 DFADHO Cc1nccnc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000621718549 399045959 /nfs/dbraw/zinc/04/59/59/399045959.db2.gz LYMCATTWXMUVNA-UHFFFAOYSA-N 1 3 302.466 2.873 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)N(C)C2CC2)cc1 ZINC000057709446 399056074 /nfs/dbraw/zinc/05/60/74/399056074.db2.gz SKOWMXDQDYAXNR-HNNXBMFYSA-N 1 3 317.477 2.741 20 0 DFADHO COC(=O)[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)[C@@H]2CCCC[C@H]12 ZINC000595734610 399062169 /nfs/dbraw/zinc/06/21/69/399062169.db2.gz UJJJNDBLVFFCPO-YLFCFFPRSA-N 1 3 308.466 2.524 20 0 DFADHO COC(=O)[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)[C@@H]2CCCC[C@H]12 ZINC000595734610 399062171 /nfs/dbraw/zinc/06/21/71/399062171.db2.gz UJJJNDBLVFFCPO-YLFCFFPRSA-N 1 3 308.466 2.524 20 0 DFADHO CC(=O)N1CC[C@@H]([NH2+]CCCN2CCCCC2)c2ccccc21 ZINC000621748516 399064658 /nfs/dbraw/zinc/06/46/58/399064658.db2.gz HTWWAIPKWPCUCP-GOSISDBHSA-N 1 3 315.461 2.950 20 0 DFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)C(C)(C)c1ccccc1 ZINC000150950066 296115051 /nfs/dbraw/zinc/11/50/51/296115051.db2.gz YLBGJJUBBKTTRW-QGZVFWFLSA-N 1 3 317.521 2.968 20 0 DFADHO N[C@H](CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1 ZINC000261734480 203105225 /nfs/dbraw/zinc/10/52/25/203105225.db2.gz NERMCGYKHCACOL-OAHLLOKOSA-N 1 3 313.376 2.500 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000261815675 203124485 /nfs/dbraw/zinc/12/44/85/203124485.db2.gz WEYQOVPDWDYGPG-BQFCYCMXSA-N 1 3 319.493 2.949 20 0 DFADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262149589 203212135 /nfs/dbraw/zinc/21/21/35/203212135.db2.gz QWSOIQZILSITMM-SUMDDJOVSA-N 1 3 317.477 2.673 20 0 DFADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262149589 203212139 /nfs/dbraw/zinc/21/21/39/203212139.db2.gz QWSOIQZILSITMM-SUMDDJOVSA-N 1 3 317.477 2.673 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000262096704 203196923 /nfs/dbraw/zinc/19/69/23/203196923.db2.gz DPTPVSLBNXKFBB-YJBOKZPZSA-N 1 3 317.477 2.662 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000262096704 203196928 /nfs/dbraw/zinc/19/69/28/203196928.db2.gz DPTPVSLBNXKFBB-YJBOKZPZSA-N 1 3 317.477 2.662 20 0 DFADHO Cc1cc2ncc([C@H](C)NCCC3CC[NH+](C)CC3)c(C)n2n1 ZINC000093405339 193245566 /nfs/dbraw/zinc/24/55/66/193245566.db2.gz RHPUOYPZXUXLDC-AWEZNQCLSA-N 1 3 315.465 2.729 20 0 DFADHO CCC[C@](C)([NH3+])C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000262693940 203384796 /nfs/dbraw/zinc/38/47/96/203384796.db2.gz BWIXRGUSNNCBMJ-KRWDZBQOSA-N 1 3 323.506 2.594 20 0 DFADHO Cc1cc(C[NH+](C)C)cc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000340334327 284177971 /nfs/dbraw/zinc/17/79/71/284177971.db2.gz RLVPXDCVPGWQFE-GJZGRUSLSA-N 1 3 303.450 2.868 20 0 DFADHO CC(C)C[C@H]([NH2+]CCC1CCCCC1)C(=O)NCCN(C)C ZINC000483316917 299410152 /nfs/dbraw/zinc/41/01/52/299410152.db2.gz BBPYLAWZKPNEPY-KRWDZBQOSA-N 1 3 311.514 2.639 20 0 DFADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](Cn2cccn2)C(C)C)C1 ZINC000340523625 284187925 /nfs/dbraw/zinc/18/79/25/284187925.db2.gz GZPQPGFFXVLUCS-QZTJIDSGSA-N 1 3 306.498 2.865 20 0 DFADHO CCOc1cc2nccc(N3CC[C@@H]([NH3+])C3)c2cc1OCC ZINC000420143408 296159643 /nfs/dbraw/zinc/15/96/43/296159643.db2.gz JQPDFALUXGEMBK-GFCCVEGCSA-N 1 3 301.390 2.570 20 0 DFADHO C[NH2+][C@H]1CCN(c2cc(C)nc3ccc(OC(F)F)cc32)C1 ZINC000420175773 296160567 /nfs/dbraw/zinc/16/05/67/296160567.db2.gz YRYNPANZODHIMZ-NSHDSACASA-N 1 3 307.344 2.943 20 0 DFADHO CCCc1cc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c2ccccc2n1 ZINC000420257392 296166398 /nfs/dbraw/zinc/16/63/98/296166398.db2.gz WGKXSXBZAQNFKD-QGZVFWFLSA-N 1 3 324.472 2.671 20 0 DFADHO CCOc1cc2nccc(N3C[C@H](C)[C@H]([NH3+])C3)c2cc1OCC ZINC000420283916 296169220 /nfs/dbraw/zinc/16/92/20/296169220.db2.gz UDBPAPRKGFKWQY-GXTWGEPZSA-N 1 3 315.417 2.816 20 0 DFADHO COc1ccc([C@H](C[NH3+])CN2CCS[C@H](C(C)C)C2)cc1 ZINC000420296422 296170842 /nfs/dbraw/zinc/17/08/42/296170842.db2.gz DMVZGNGGBFWMGO-WBVHZDCISA-N 1 3 308.491 2.811 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2CCS[C@H](C(C)C)C2)cc1 ZINC000420296422 296170843 /nfs/dbraw/zinc/17/08/43/296170843.db2.gz DMVZGNGGBFWMGO-WBVHZDCISA-N 1 3 308.491 2.811 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2CCS[C@H](C(C)C)C2)cc1 ZINC000420296422 296170844 /nfs/dbraw/zinc/17/08/44/296170844.db2.gz DMVZGNGGBFWMGO-WBVHZDCISA-N 1 3 308.491 2.811 20 0 DFADHO Fc1cccc(CN(CC[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420303926 296172046 /nfs/dbraw/zinc/17/20/46/296172046.db2.gz NYKQSEBBAYMMMA-QAPCUYQASA-N 1 3 306.425 2.806 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000420308124 296172970 /nfs/dbraw/zinc/17/29/70/296172970.db2.gz SAXMPOASLYKLPE-MJGOQNOKSA-N 1 3 318.461 2.630 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000420308122 296172961 /nfs/dbraw/zinc/17/29/61/296172961.db2.gz SAXMPOASLYKLPE-HKUYNNGSSA-N 1 3 318.461 2.630 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000420308122 296172962 /nfs/dbraw/zinc/17/29/62/296172962.db2.gz SAXMPOASLYKLPE-HKUYNNGSSA-N 1 3 318.461 2.630 20 0 DFADHO CN(CC[C@@H]1CC[NH2+]C1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000420306207 296172650 /nfs/dbraw/zinc/17/26/50/296172650.db2.gz ACMDCBQHDVHJIA-KSSFIOAISA-N 1 3 316.424 2.580 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000420308124 296172969 /nfs/dbraw/zinc/17/29/69/296172969.db2.gz SAXMPOASLYKLPE-MJGOQNOKSA-N 1 3 318.461 2.630 20 0 DFADHO O=C(c1cc(F)ccc1F)C1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420316573 296174244 /nfs/dbraw/zinc/17/42/44/296174244.db2.gz MNYIITDVINUVHO-CYBMUJFWSA-N 1 3 322.399 2.859 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000420323978 296175148 /nfs/dbraw/zinc/17/51/48/296175148.db2.gz UUJLLVAPIUQYBL-ULQDDVLXSA-N 1 3 316.470 2.816 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000420323978 296175149 /nfs/dbraw/zinc/17/51/49/296175149.db2.gz UUJLLVAPIUQYBL-ULQDDVLXSA-N 1 3 316.470 2.816 20 0 DFADHO Cc1cccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420334297 296176676 /nfs/dbraw/zinc/17/66/76/296176676.db2.gz GCSXYCNZMHAEOP-YESZJQIVSA-N 1 3 315.461 2.644 20 0 DFADHO Cc1ccc(NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000420339545 296177489 /nfs/dbraw/zinc/17/74/89/296177489.db2.gz LZTGAHCPSZEALV-DLBZAZTESA-N 1 3 315.461 2.563 20 0 DFADHO Cc1cccc(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420334294 296176759 /nfs/dbraw/zinc/17/67/59/296176759.db2.gz GCSXYCNZMHAEOP-ULQDDVLXSA-N 1 3 315.461 2.644 20 0 DFADHO COC(=O)c1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c(C)s1 ZINC000420334653 296176814 /nfs/dbraw/zinc/17/68/14/296176814.db2.gz JPNYTUSHMOQBNL-OAHLLOKOSA-N 1 3 322.474 2.807 20 0 DFADHO CC(C)N(C(=O)CN1CCC([C@H]2CCC[NH2+]2)CC1)C1CCCC1 ZINC000420337644 296177067 /nfs/dbraw/zinc/17/70/67/296177067.db2.gz OEQOLDIUEBITNN-GOSISDBHSA-N 1 3 321.509 2.630 20 0 DFADHO Cc1ccc(C)c(NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420341798 296177793 /nfs/dbraw/zinc/17/77/93/296177793.db2.gz QGYFNOHRCBOYNT-YESZJQIVSA-N 1 3 315.461 2.562 20 0 DFADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420346843 296178352 /nfs/dbraw/zinc/17/83/52/296178352.db2.gz ZGSXLQRZVGXPSR-CGTJXYLNSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)c1nc([C@@H]2CCCN(CCC3CC[NH2+]CC3)C2)no1 ZINC000420369049 296181482 /nfs/dbraw/zinc/18/14/82/296181482.db2.gz XKINNZLUXXJCIQ-OAHLLOKOSA-N 1 3 306.454 2.762 20 0 DFADHO [NH3+]C[C@@H](NCCC(=O)Nc1cccc(F)c1)C1CCCCC1 ZINC000420374726 296182274 /nfs/dbraw/zinc/18/22/74/296182274.db2.gz SGQUJEINBSHNMR-MRXNPFEDSA-N 1 3 307.413 2.652 20 0 DFADHO NC[C@H]1C[N@H+](CCCOc2cccc3ccccc32)CCCO1 ZINC000420383850 296184092 /nfs/dbraw/zinc/18/40/92/296184092.db2.gz FWJVQUONFZUVPC-KRWDZBQOSA-N 1 3 314.429 2.658 20 0 DFADHO NC[C@H]1C[N@@H+](CCCOc2cccc3ccccc32)CCCO1 ZINC000420383850 296184094 /nfs/dbraw/zinc/18/40/94/296184094.db2.gz FWJVQUONFZUVPC-KRWDZBQOSA-N 1 3 314.429 2.658 20 0 DFADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NCC1CCCCC1 ZINC000420395052 296185598 /nfs/dbraw/zinc/18/55/98/296185598.db2.gz KQGOFKQUOAHLOW-QZTJIDSGSA-N 1 3 321.509 2.537 20 0 DFADHO CC(C)N1CC[C@H]([NH2+]C[C@H](C)N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420404592 296186894 /nfs/dbraw/zinc/18/68/94/296186894.db2.gz MGLPEOCQXMQSJO-UVBJJODRSA-N 1 3 313.848 2.940 20 0 DFADHO O=C(NCC12CCC[NH+]1CCC2)[C@H]1CCCCN1C1CCCC1 ZINC000614225395 399181283 /nfs/dbraw/zinc/18/12/83/399181283.db2.gz OGAFITRTBPPCEF-QGZVFWFLSA-N 1 3 319.493 2.528 20 0 DFADHO [NH3+]CCOCCN[C@@H](Cc1ccccc1)c1ccccc1F ZINC000420415232 296187818 /nfs/dbraw/zinc/18/78/18/296187818.db2.gz UWYOXMAKTPKMOH-SFHVURJKSA-N 1 3 302.393 2.674 20 0 DFADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000618660376 399200966 /nfs/dbraw/zinc/20/09/66/399200966.db2.gz JMZMHYQAMXCHFN-YVSFHVDLSA-N 1 3 321.509 2.771 20 0 DFADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000618660376 399200969 /nfs/dbraw/zinc/20/09/69/399200969.db2.gz JMZMHYQAMXCHFN-YVSFHVDLSA-N 1 3 321.509 2.771 20 0 DFADHO CC[C@H]1CN(C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000614329725 399207991 /nfs/dbraw/zinc/20/79/91/399207991.db2.gz GTXXPZNQTBZSLX-INIZCTEOSA-N 1 3 309.498 2.584 20 0 DFADHO CC[C@H]1CN(C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000614329725 399207992 /nfs/dbraw/zinc/20/79/92/399207992.db2.gz GTXXPZNQTBZSLX-INIZCTEOSA-N 1 3 309.498 2.584 20 0 DFADHO CC[C@@H]1CN(C)CCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000614342010 399214390 /nfs/dbraw/zinc/21/43/90/399214390.db2.gz MAJRJCKNAUTOPY-MSOLQXFVSA-N 1 3 317.477 2.622 20 0 DFADHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@H]1CC1(C)C ZINC000487290625 299455881 /nfs/dbraw/zinc/45/58/81/299455881.db2.gz CNEPYADFFNWKCA-IAGOWNOFSA-N 1 3 307.526 2.961 20 0 DFADHO CCN1CCC([N@@H+]2CCCN(CC3CC(F)(F)C3)CC2)CC1 ZINC000420979348 296220360 /nfs/dbraw/zinc/22/03/60/296220360.db2.gz KNRSHPHLPHRSFZ-UHFFFAOYSA-N 1 3 315.452 2.524 20 0 DFADHO CCN1CCC([N@H+]2CCCN(CC3CC(F)(F)C3)CC2)CC1 ZINC000420979348 296220361 /nfs/dbraw/zinc/22/03/61/296220361.db2.gz KNRSHPHLPHRSFZ-UHFFFAOYSA-N 1 3 315.452 2.524 20 0 DFADHO CN1CCN(CC[NH2+]Cc2cccc(C3CC3)c2)CC1(C)C ZINC000421355944 296247292 /nfs/dbraw/zinc/24/72/92/296247292.db2.gz KJSDFQRMZRVSIL-UHFFFAOYSA-N 1 3 301.478 2.680 20 0 DFADHO CON1CCC(NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000421402382 296252828 /nfs/dbraw/zinc/25/28/28/296252828.db2.gz VSKPWIDEEOPPMG-MAUKXSAKSA-N 1 3 309.498 2.645 20 0 DFADHO CON1CCC([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000421402382 296252829 /nfs/dbraw/zinc/25/28/29/296252829.db2.gz VSKPWIDEEOPPMG-MAUKXSAKSA-N 1 3 309.498 2.645 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000623053285 399319667 /nfs/dbraw/zinc/31/96/67/399319667.db2.gz AHTBZRUBIZOVSE-MRXNPFEDSA-N 1 3 316.449 2.544 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000623054752 399320115 /nfs/dbraw/zinc/32/01/15/399320115.db2.gz YGWSYHMZBMCYIR-UHFFFAOYSA-N 1 3 318.465 2.921 20 0 DFADHO CN(C)CCN(C)CCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000623088052 399324894 /nfs/dbraw/zinc/32/48/94/399324894.db2.gz UEJPFFNVYZPJGG-PKOBYXMFSA-N 1 3 318.509 2.581 20 0 DFADHO CN(C)CCN(C)CCC[NH2+]Cc1csc2ccccc12 ZINC000623088525 399324980 /nfs/dbraw/zinc/32/49/80/399324980.db2.gz QONKIGAXSMHNLZ-UHFFFAOYSA-N 1 3 305.491 2.874 20 0 DFADHO CC[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000104346015 194000094 /nfs/dbraw/zinc/00/00/94/194000094.db2.gz HWEXZIBCZPJXIY-MRXNPFEDSA-N 1 3 323.525 2.734 20 0 DFADHO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284510688 218058289 /nfs/dbraw/zinc/05/82/89/218058289.db2.gz YJFOWWAUCDFKOH-HUUCEWRRSA-N 1 3 306.450 2.673 20 0 DFADHO CN1CC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)CC1(C)C ZINC000623347531 399367981 /nfs/dbraw/zinc/36/79/81/399367981.db2.gz CUQXRAQBNWSCPJ-LJQANCHMSA-N 1 3 315.505 2.897 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347008 399368258 /nfs/dbraw/zinc/36/82/58/399368258.db2.gz KVLLDFHOEIHCKH-VQIMIIECSA-N 1 3 315.505 2.896 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347008 399368260 /nfs/dbraw/zinc/36/82/60/399368260.db2.gz KVLLDFHOEIHCKH-VQIMIIECSA-N 1 3 315.505 2.896 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347008 399368261 /nfs/dbraw/zinc/36/82/61/399368261.db2.gz KVLLDFHOEIHCKH-VQIMIIECSA-N 1 3 315.505 2.896 20 0 DFADHO CN(C)C(=O)C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000623374371 399374960 /nfs/dbraw/zinc/37/49/60/399374960.db2.gz BPDSKHAZGMWDKT-IAGOWNOFSA-N 1 3 317.477 2.668 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)CC1(C)C ZINC000623398993 399380012 /nfs/dbraw/zinc/38/00/12/399380012.db2.gz VIWDXNPRSAPQDB-HNNXBMFYSA-N 1 3 304.434 2.810 20 0 DFADHO CC[C@H]([NH2+]CC[C@@H](N)Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000602018360 399385448 /nfs/dbraw/zinc/38/54/48/399385448.db2.gz AOAXATATUWUHAG-SJORKVTESA-N 1 3 318.461 2.658 20 0 DFADHO CC[C@H](NCC[C@@H]([NH3+])Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000602018360 399385450 /nfs/dbraw/zinc/38/54/50/399385450.db2.gz AOAXATATUWUHAG-SJORKVTESA-N 1 3 318.461 2.658 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2)CC1 ZINC000285239276 218346414 /nfs/dbraw/zinc/34/64/14/218346414.db2.gz SJPOCFMZGVALIP-LJQANCHMSA-N 1 3 316.445 2.942 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623432147 399387866 /nfs/dbraw/zinc/38/78/66/399387866.db2.gz GIRLRNJVUNTHNT-HUUCEWRRSA-N 1 3 306.450 2.925 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623432147 399387868 /nfs/dbraw/zinc/38/78/68/399387868.db2.gz GIRLRNJVUNTHNT-HUUCEWRRSA-N 1 3 306.450 2.925 20 0 DFADHO COCCOc1ccc(CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000422561261 296312610 /nfs/dbraw/zinc/31/26/10/296312610.db2.gz KFVHNBNJYOOCHX-INMHGKMJSA-N 1 3 306.450 2.517 20 0 DFADHO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000268850004 207019003 /nfs/dbraw/zinc/01/90/03/207019003.db2.gz WKJTXWCBTSPRKM-CVEARBPZSA-N 1 3 316.449 2.563 20 0 DFADHO CCC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OC)cc1 ZINC000268858262 207027543 /nfs/dbraw/zinc/02/75/43/207027543.db2.gz RNVAXRBJDNAPAI-WMZOPIPTSA-N 1 3 306.450 2.583 20 0 DFADHO C[C@H](CCN(C)C)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000268862837 207031083 /nfs/dbraw/zinc/03/10/83/207031083.db2.gz CDAVGOYKEWHFMN-QGZVFWFLSA-N 1 3 303.494 2.623 20 0 DFADHO COc1ccc(COCCN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623481680 399398962 /nfs/dbraw/zinc/39/89/62/399398962.db2.gz PBJOXKCRXFHBTJ-MRXNPFEDSA-N 1 3 306.450 2.674 20 0 DFADHO COc1ccc(COCCN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623481680 399398966 /nfs/dbraw/zinc/39/89/66/399398966.db2.gz PBJOXKCRXFHBTJ-MRXNPFEDSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1ccn(-c2ccccc2)n1 ZINC000268887905 207057638 /nfs/dbraw/zinc/05/76/38/207057638.db2.gz XOEAYZZJSPTGQH-GJYPPUQNSA-N 1 3 312.461 2.733 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1ccn(-c2ccccc2)n1 ZINC000268887905 207057640 /nfs/dbraw/zinc/05/76/40/207057640.db2.gz XOEAYZZJSPTGQH-GJYPPUQNSA-N 1 3 312.461 2.733 20 0 DFADHO COc1ccccc1[C@H](CN[C@H]1CCC[C@H]1[NH3+])N1CCCCC1 ZINC000422704996 296319087 /nfs/dbraw/zinc/31/90/87/296319087.db2.gz BCJZGUXWJQHVFI-SQNIBIBYSA-N 1 3 317.477 2.692 20 0 DFADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCC[C@H]1N)N1CCCCC1 ZINC000422704996 296319088 /nfs/dbraw/zinc/31/90/88/296319088.db2.gz BCJZGUXWJQHVFI-SQNIBIBYSA-N 1 3 317.477 2.692 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000422707555 296319557 /nfs/dbraw/zinc/31/95/57/296319557.db2.gz ALEDHQYAXAQQIZ-GOEBONIOSA-N 1 3 313.401 2.749 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000422710228 296319712 /nfs/dbraw/zinc/31/97/12/296319712.db2.gz FJLXTPPUFHWKJJ-GJZGRUSLSA-N 1 3 324.472 2.951 20 0 DFADHO COc1ccc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])c(OC)c1OC ZINC000422709361 296319637 /nfs/dbraw/zinc/31/96/37/296319637.db2.gz YZLIYWKJUWDLLS-LSDHHAIUSA-N 1 3 322.449 2.505 20 0 DFADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422709777 296319706 /nfs/dbraw/zinc/31/97/06/296319706.db2.gz FBGBEHRQFQJEBT-QXCFHYIPSA-N 1 3 302.462 2.927 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422715316 296320552 /nfs/dbraw/zinc/32/05/52/296320552.db2.gz JBPBEMUIDSVZHV-APWZRJJASA-N 1 3 319.468 2.897 20 0 DFADHO CCC(CC)[C@H](O)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422718879 296320862 /nfs/dbraw/zinc/32/08/62/296320862.db2.gz XXYMUPYPIALSBP-LMMKCTJWSA-N 1 3 318.461 2.629 20 0 DFADHO C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1cnccc1N ZINC000422726633 296322091 /nfs/dbraw/zinc/32/20/91/296322091.db2.gz FQKIZRQVLXBCDI-HNNXBMFYSA-N 1 3 310.445 2.809 20 0 DFADHO C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1cnccc1N ZINC000422726633 296322092 /nfs/dbraw/zinc/32/20/92/296322092.db2.gz FQKIZRQVLXBCDI-HNNXBMFYSA-N 1 3 310.445 2.809 20 0 DFADHO CCC(CC)C(=O)N1CCC(N[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422724861 296322247 /nfs/dbraw/zinc/32/22/47/296322247.db2.gz WVKHVINJCXJFID-WMLDXEAASA-N 1 3 309.498 2.534 20 0 DFADHO CC[C@@H]1CCCCN1CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)N ZINC000422730987 296323279 /nfs/dbraw/zinc/32/32/79/296323279.db2.gz MXXBNXJJFNQNRV-BHIYHBOVSA-N 1 3 303.494 2.799 20 0 DFADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000623723960 399450967 /nfs/dbraw/zinc/45/09/67/399450967.db2.gz LYFYZMDXCQCZEA-FSZRXZPDSA-N 1 3 306.450 2.529 20 0 DFADHO CCN1CCC[C@H](N[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000422738522 296324054 /nfs/dbraw/zinc/32/40/54/296324054.db2.gz JOBAXRSLEQYDAQ-UHOSZYNNSA-N 1 3 317.477 2.562 20 0 DFADHO CC[C@H]([NH2+]CCN1CCc2sccc2C1)[C@@H]1CCCCN1 ZINC000422738503 296324117 /nfs/dbraw/zinc/32/41/17/296324117.db2.gz JMPWAHBVDGZJIF-HOTGVXAUSA-N 1 3 307.507 2.617 20 0 DFADHO CC(C)NC(=O)[C@@H]1CCC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422745657 296325230 /nfs/dbraw/zinc/32/52/30/296325230.db2.gz MTKHDJCCOLABPC-BODMPHMZSA-N 1 3 315.461 2.804 20 0 DFADHO C[C@@H](NCC1(c2cccc(Br)c2)CC1)C1C[NH2+]C1 ZINC000422747967 296325701 /nfs/dbraw/zinc/32/57/01/296325701.db2.gz RIATURHQFNRJMZ-LLVKDONJSA-N 1 3 309.251 2.678 20 0 DFADHO C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CC1)C1CNC1 ZINC000422747967 296325702 /nfs/dbraw/zinc/32/57/02/296325702.db2.gz RIATURHQFNRJMZ-LLVKDONJSA-N 1 3 309.251 2.678 20 0 DFADHO CC(C)[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000269230836 207353835 /nfs/dbraw/zinc/35/38/35/207353835.db2.gz IDFVLCRHLZIRFE-RHSMWYFYSA-N 1 3 303.450 2.840 20 0 DFADHO CC(C)[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000269230836 207353842 /nfs/dbraw/zinc/35/38/42/207353842.db2.gz IDFVLCRHLZIRFE-RHSMWYFYSA-N 1 3 303.450 2.840 20 0 DFADHO CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]2CN)cc1OCC ZINC000422751868 296326451 /nfs/dbraw/zinc/32/64/51/296326451.db2.gz DDKUBMIDYOIRDI-JKSUJKDBSA-N 1 3 306.450 2.744 20 0 DFADHO CCOc1ccc(CC[NH2+][C@H]2CCC[C@H]2CN)cc1OCC ZINC000422751864 296326656 /nfs/dbraw/zinc/32/66/56/296326656.db2.gz DDKUBMIDYOIRDI-HOTGVXAUSA-N 1 3 306.450 2.744 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000422754940 296327314 /nfs/dbraw/zinc/32/73/14/296327314.db2.gz GJQSDQOAJLPYEV-ZOBUZTSGSA-N 1 3 305.441 2.691 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000422758716 296328117 /nfs/dbraw/zinc/32/81/17/296328117.db2.gz OFMBHUBWGKWIEW-KUHUBIRLSA-N 1 3 312.461 2.802 20 0 DFADHO CCOc1ccc(CCN[C@@H](C)[C@H]2CC[NH2+]C2)cc1OCC ZINC000422757083 296327770 /nfs/dbraw/zinc/32/77/70/296327770.db2.gz JKQNNSBUTJIJMY-HOCLYGCPSA-N 1 3 306.450 2.614 20 0 DFADHO CCOc1cc(CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC ZINC000422765001 296329285 /nfs/dbraw/zinc/32/92/85/296329285.db2.gz VSYIYPOHPLUWTF-SJPCQFCGSA-N 1 3 318.461 2.899 20 0 DFADHO COc1cccc(N2CCC[C@H]([NH2+][C@H]3CCCC[C@H]3CN)C2)c1 ZINC000422770771 296330325 /nfs/dbraw/zinc/33/03/25/296330325.db2.gz XFWHBVFVGNLYHZ-BXWFABGCSA-N 1 3 317.477 2.771 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@H]3CCCC[C@H]3C[NH3+])C2)c1 ZINC000422770771 296330326 /nfs/dbraw/zinc/33/03/26/296330326.db2.gz XFWHBVFVGNLYHZ-BXWFABGCSA-N 1 3 317.477 2.771 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](CCO)c1ccccc1 ZINC000422775241 296331036 /nfs/dbraw/zinc/33/10/36/296331036.db2.gz AURSVGJZBCBZHC-PBHICJAKSA-N 1 3 313.445 2.666 20 0 DFADHO Cc1cccc([C@H](C)CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422775953 296331064 /nfs/dbraw/zinc/33/10/64/296331064.db2.gz CRDPAYRBILRJCE-XGXHKWSGSA-N 1 3 302.462 2.845 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCCCN1Cc1ccccc1 ZINC000422781642 296331792 /nfs/dbraw/zinc/33/17/92/296331792.db2.gz LZGZOOMMWYASEP-QRQLOZEOSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000422781642 296331793 /nfs/dbraw/zinc/33/17/93/296331793.db2.gz LZGZOOMMWYASEP-QRQLOZEOSA-N 1 3 301.478 2.629 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000422781065 296332039 /nfs/dbraw/zinc/33/20/39/296332039.db2.gz KDMPBXFJMJTFSZ-OAHLLOKOSA-N 1 3 304.482 2.621 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C12CCC2 ZINC000422783252 296332192 /nfs/dbraw/zinc/33/21/92/296332192.db2.gz NXFDXNWKPJHQTK-IAOVAPTHSA-N 1 3 303.450 2.847 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C12CCC2 ZINC000422783254 296332197 /nfs/dbraw/zinc/33/21/97/296332197.db2.gz NXFDXNWKPJHQTK-RRQGHBQHSA-N 1 3 303.450 2.847 20 0 DFADHO C[C@@H](NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422784075 296332222 /nfs/dbraw/zinc/33/22/22/296332222.db2.gz LVALOBHTAKYUPW-GDBMZVCRSA-N 1 3 321.896 2.892 20 0 DFADHO CN(C)C1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)Cc2ccccc2C1 ZINC000422785245 296332574 /nfs/dbraw/zinc/33/25/74/296332574.db2.gz PFPGNRXJXFFYKB-WOJBJXKFSA-N 1 3 321.468 2.820 20 0 DFADHO CCCCOCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422789824 296333387 /nfs/dbraw/zinc/33/33/87/296333387.db2.gz WZLAWSDYQBUNEQ-FUHWJXTLSA-N 1 3 304.434 2.649 20 0 DFADHO C[C@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCCCN1 ZINC000422795749 296334324 /nfs/dbraw/zinc/33/43/24/296334324.db2.gz WOMBRDFTTZKICW-KBXCAEBGSA-N 1 3 316.424 2.674 20 0 DFADHO C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])Oc1cccc(Br)c1 ZINC000422796061 296334427 /nfs/dbraw/zinc/33/44/27/296334427.db2.gz IKQCWJFYNBRAOT-SDDRHHMPSA-N 1 3 315.255 2.932 20 0 DFADHO CC(C)C(=O)Nc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422798420 296334693 /nfs/dbraw/zinc/33/46/93/296334693.db2.gz QZXGIAZIIGYQPF-RDJZCZTQSA-N 1 3 303.450 2.888 20 0 DFADHO CC[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422801468 296335577 /nfs/dbraw/zinc/33/55/77/296335577.db2.gz BZKJSABIYSSHRS-LZQZEXGQSA-N 1 3 301.478 2.553 20 0 DFADHO C[C@H](C[C@H](C)N)[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422798362 296334925 /nfs/dbraw/zinc/33/49/25/296334925.db2.gz QTWHDEWJXFJYLQ-LSDHHAIUSA-N 1 3 318.461 2.985 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422798362 296334926 /nfs/dbraw/zinc/33/49/26/296334926.db2.gz QTWHDEWJXFJYLQ-LSDHHAIUSA-N 1 3 318.461 2.985 20 0 DFADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422798361 296334971 /nfs/dbraw/zinc/33/49/71/296334971.db2.gz QTWHDEWJXFJYLQ-HUUCEWRRSA-N 1 3 318.461 2.985 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422798361 296334972 /nfs/dbraw/zinc/33/49/72/296334972.db2.gz QTWHDEWJXFJYLQ-HUUCEWRRSA-N 1 3 318.461 2.985 20 0 DFADHO COc1ccc2cc(CN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])ccc2c1 ZINC000422797760 296334985 /nfs/dbraw/zinc/33/49/85/296334985.db2.gz OJQAQAMLLWMSMM-MJXNMMHHSA-N 1 3 314.429 2.690 20 0 DFADHO c1cn(Cc2ccccc2CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000422803958 296335784 /nfs/dbraw/zinc/33/57/84/296335784.db2.gz DRMNARZRDWGDTD-XUVXKRRUSA-N 1 3 324.472 2.942 20 0 DFADHO C[C@H]1CCNC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422818248 296338787 /nfs/dbraw/zinc/33/87/87/296338787.db2.gz FTUSUQBPTZIDRC-WFASDCNBSA-N 1 3 316.367 2.853 20 0 DFADHO c1cnn(-c2ccc(CCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)c1 ZINC000422819205 296338925 /nfs/dbraw/zinc/33/89/25/296338925.db2.gz HPXGGGUUBVRDKG-XUVXKRRUSA-N 1 3 324.472 2.925 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000422819305 296339007 /nfs/dbraw/zinc/33/90/07/296339007.db2.gz MPRBHEMHQPVUKD-AWEZNQCLSA-N 1 3 304.482 2.620 20 0 DFADHO CN(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422820163 296339042 /nfs/dbraw/zinc/33/90/42/296339042.db2.gz PFMMJFHKKDCCBV-OTWHNJEPSA-N 1 3 319.468 2.768 20 0 DFADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422818928 296339191 /nfs/dbraw/zinc/33/91/91/296339191.db2.gz HNEVZVRHUBEQIQ-UONOGXRCSA-N 1 3 302.340 2.735 20 0 DFADHO C[C@H]1CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000631841422 399506728 /nfs/dbraw/zinc/50/67/28/399506728.db2.gz KKGPDCTYYSEGHU-YJBOKZPZSA-N 1 3 323.440 2.966 20 0 DFADHO CCN(CC)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422828731 296340790 /nfs/dbraw/zinc/34/07/90/296340790.db2.gz GPKJUCMUMGBEJP-WDSOQIARSA-N 1 3 303.494 2.670 20 0 DFADHO COc1cc(CN[C@H](C)C[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000422831423 296341142 /nfs/dbraw/zinc/34/11/42/296341142.db2.gz STHHQGQSPFKFFP-WDEREUQCSA-N 1 3 320.355 2.852 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000422830979 296341145 /nfs/dbraw/zinc/34/11/45/296341145.db2.gz RUXCUCLJTHGZJJ-OALUTQOASA-N 1 3 301.478 2.864 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000422828281 296340345 /nfs/dbraw/zinc/34/03/45/296340345.db2.gz FUHNBMQRNSDHFE-GBESFXJTSA-N 1 3 303.494 2.657 20 0 DFADHO CCN(CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000422831908 296341490 /nfs/dbraw/zinc/34/14/90/296341490.db2.gz KDAVSUHUGMNDLI-JIRNRHONSA-N 1 3 315.505 2.812 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422836181 296342042 /nfs/dbraw/zinc/34/20/42/296342042.db2.gz JKXVQIVCBTXOCT-YQQAZPJKSA-N 1 3 307.507 2.677 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC(=O)N1CCCCCC1 ZINC000422843007 296343084 /nfs/dbraw/zinc/34/30/84/296343084.db2.gz GRFAUNPOVXRLJT-IAGOWNOFSA-N 1 3 309.498 2.680 20 0 DFADHO C[NH2+]CC1CCN(Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000347070042 285011529 /nfs/dbraw/zinc/01/15/29/285011529.db2.gz PCTRRDXPWPPDQP-UHFFFAOYSA-N 1 3 306.450 2.914 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422856630 296345631 /nfs/dbraw/zinc/34/56/31/296345631.db2.gz XFFBOGOTKYBPEV-NDKCEZKHSA-N 1 3 308.388 2.697 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422850955 296344695 /nfs/dbraw/zinc/34/46/95/296344695.db2.gz WKOUBRIOEMJRLE-KBPBESRZSA-N 1 3 312.417 2.549 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H](C)N1CCCC[C@H]1C ZINC000422862114 296346421 /nfs/dbraw/zinc/34/64/21/296346421.db2.gz NKUBCIQLQRLFFB-DFEOGRTESA-N 1 3 303.494 2.797 20 0 DFADHO CSCc1cc(F)ccc1CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422860649 296346472 /nfs/dbraw/zinc/34/64/72/296346472.db2.gz INKWCTXJQSNKRZ-XFBWCDHKSA-N 1 3 312.454 2.531 20 0 DFADHO CC[C@@H](NC1CCN(CC(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000422857572 296345945 /nfs/dbraw/zinc/34/59/45/296345945.db2.gz HABGCKDOKUCCNT-ZIAGYGMSSA-N 1 3 307.404 2.523 20 0 DFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(c2ccccn2)CC1 ZINC000422866822 296347229 /nfs/dbraw/zinc/34/72/29/296347229.db2.gz QZKAQDMCVIPKDK-VQIMIIECSA-N 1 3 324.472 2.599 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCN(C)CC(F)(F)F ZINC000422868599 296347374 /nfs/dbraw/zinc/34/73/74/296347374.db2.gz VPQNBNLTKLEMAD-KBPBESRZSA-N 1 3 309.420 2.771 20 0 DFADHO CC(C)[NH+](CCCNC(=O)[C@@H](C)N1CCCCCC1)C(C)C ZINC000347381476 285022208 /nfs/dbraw/zinc/02/22/08/285022208.db2.gz LFSJIVUAMSEIAH-QGZVFWFLSA-N 1 3 311.514 2.876 20 0 DFADHO CN(CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000422867695 296347545 /nfs/dbraw/zinc/34/75/45/296347545.db2.gz SZACFWNZVFVLAU-RRFJBIMHSA-N 1 3 321.431 2.771 20 0 DFADHO CN(CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)CC(F)(F)F ZINC000422867695 296347546 /nfs/dbraw/zinc/34/75/46/296347546.db2.gz SZACFWNZVFVLAU-RRFJBIMHSA-N 1 3 321.431 2.771 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2N)CN1Cc1ccccc1 ZINC000422873376 296348338 /nfs/dbraw/zinc/34/83/38/296348338.db2.gz LEEOQSKOFYSKBH-LULLPPNCSA-N 1 3 301.478 2.899 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CCCCC[C@H]2[NH3+])CN1Cc1ccccc1 ZINC000422873376 296348339 /nfs/dbraw/zinc/34/83/39/296348339.db2.gz LEEOQSKOFYSKBH-LULLPPNCSA-N 1 3 301.478 2.899 20 0 DFADHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H](N)CC2CCCCC2)cc1 ZINC000422883995 296350120 /nfs/dbraw/zinc/35/01/20/296350120.db2.gz DKEHKSKLSZNVNN-GUYCJALGSA-N 1 3 303.450 2.620 20 0 DFADHO COc1ccc(CC[NH2+][C@H]2CCC[C@H]2CN)cc1OC(F)F ZINC000422884871 296350486 /nfs/dbraw/zinc/35/04/86/296350486.db2.gz XUKKXGWELZQTIF-STQMWFEESA-N 1 3 314.376 2.556 20 0 DFADHO CCCCOc1cccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000422889846 296351159 /nfs/dbraw/zinc/35/11/59/296351159.db2.gz GZYOTQFITMHLTK-JCGIZDLHSA-N 1 3 306.450 2.707 20 0 DFADHO COC1CCN(C(C)(C)CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422891292 296351567 /nfs/dbraw/zinc/35/15/67/296351567.db2.gz VBYRXTPMEFXNIG-ROUUACIJSA-N 1 3 317.477 2.610 20 0 DFADHO COCCOc1ccc([C@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000119666029 195013792 /nfs/dbraw/zinc/01/37/92/195013792.db2.gz PKCWJJSKAXDHBZ-HNNXBMFYSA-N 1 3 318.461 2.989 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422900044 296352833 /nfs/dbraw/zinc/35/28/33/296352833.db2.gz PTNOLNUMCFVIHK-RKVPGOIHSA-N 1 3 305.441 2.630 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1F ZINC000422899837 296352854 /nfs/dbraw/zinc/35/28/54/296352854.db2.gz IHECPJKQUJLGSC-HOCLYGCPSA-N 1 3 302.397 2.537 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1F ZINC000422904872 296353901 /nfs/dbraw/zinc/35/39/01/296353901.db2.gz QYDHZMKXGKHXGP-CXAGYDPISA-N 1 3 316.424 2.798 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000422907247 296354180 /nfs/dbraw/zinc/35/41/80/296354180.db2.gz LFCFABODVKURDI-LSDHHAIUSA-N 1 3 323.868 2.659 20 0 DFADHO FC(F)n1c(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc2ccccc21 ZINC000422910190 296354606 /nfs/dbraw/zinc/35/46/06/296354606.db2.gz HMPAWBCGBLTXCX-FUNVUKJBSA-N 1 3 320.387 2.847 20 0 DFADHO C[C@H](NCCc1nc2ccccc2n1C(F)F)[C@H]1CC[NH2+]C1 ZINC000422910025 296354656 /nfs/dbraw/zinc/35/46/56/296354656.db2.gz HGJXHXQEKPAYOR-RYUDHWBXSA-N 1 3 308.376 2.562 20 0 DFADHO c1c2ccccc2oc1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422919952 296355544 /nfs/dbraw/zinc/35/55/44/296355544.db2.gz LEBFMWRYAZLYSG-RCCFBDPRSA-N 1 3 314.429 2.722 20 0 DFADHO c1c2ccccc2oc1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422919949 296355703 /nfs/dbraw/zinc/35/57/03/296355703.db2.gz LEBFMWRYAZLYSG-FGTMMUONSA-N 1 3 314.429 2.722 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422928055 296356621 /nfs/dbraw/zinc/35/66/21/296356621.db2.gz IQOYTTXPIIPGKU-MSOLQXFVSA-N 1 3 315.461 2.530 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOc1cccc(C(F)(F)F)c1 ZINC000422929936 296356756 /nfs/dbraw/zinc/35/67/56/296356756.db2.gz ALFGFFMZQKVFGF-FZMZJTMJSA-N 1 3 302.340 2.801 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000422933992 296357310 /nfs/dbraw/zinc/35/73/10/296357310.db2.gz BWQDHULILNQWOJ-LUKYLMHMSA-N 1 3 319.493 2.511 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422926767 296356315 /nfs/dbraw/zinc/35/63/15/296356315.db2.gz DYGKVENPNFCOEX-LSDHHAIUSA-N 1 3 303.450 2.528 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1csc2ccccc12 ZINC000422943330 296358560 /nfs/dbraw/zinc/35/85/60/296358560.db2.gz YBTHRMAKCYSAQB-MAZHCROVSA-N 1 3 304.459 2.786 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000422943330 296358561 /nfs/dbraw/zinc/35/85/61/296358561.db2.gz YBTHRMAKCYSAQB-MAZHCROVSA-N 1 3 304.459 2.786 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1ccc(OC2CCCC2)cc1 ZINC000422935863 296357698 /nfs/dbraw/zinc/35/76/98/296357698.db2.gz AWPHXMDRCGTGLL-MRXNPFEDSA-N 1 3 306.450 2.852 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOc1ccc(Br)cc1 ZINC000422944677 296359091 /nfs/dbraw/zinc/35/90/91/296359091.db2.gz LWIVZPTUBITRHC-SMDDNHRTSA-N 1 3 313.239 2.545 20 0 DFADHO C[C@@H](NCCc1coc(-c2ccc(F)cc2)n1)[C@@H]1CC[NH2+]C1 ZINC000422945807 296359111 /nfs/dbraw/zinc/35/91/11/296359111.db2.gz NYBGNJBRNFOZBM-TZMCWYRMSA-N 1 3 303.381 2.611 20 0 DFADHO C[C@H](NCCc1coc(-c2ccc(F)cc2)n1)[C@H]1CC[NH2+]C1 ZINC000422945805 296359148 /nfs/dbraw/zinc/35/91/48/296359148.db2.gz NYBGNJBRNFOZBM-JSGCOSHPSA-N 1 3 303.381 2.611 20 0 DFADHO CCCCNC(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000422946665 296359322 /nfs/dbraw/zinc/35/93/22/296359322.db2.gz XAEYGXJHOXKWEQ-ROUUACIJSA-N 1 3 317.477 2.966 20 0 DFADHO CC(C)c1ccc(OCCN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422950688 296360023 /nfs/dbraw/zinc/36/00/23/296360023.db2.gz WNBYDWFUQBQEHU-ZTFGCOKTSA-N 1 3 306.450 2.531 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000422951490 296360032 /nfs/dbraw/zinc/36/00/32/296360032.db2.gz YTEYEXMBOCHSFN-XJKSGUPXSA-N 1 3 303.381 2.740 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422951490 296360034 /nfs/dbraw/zinc/36/00/34/296360034.db2.gz YTEYEXMBOCHSFN-XJKSGUPXSA-N 1 3 303.381 2.740 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCNC(=O)c1cccs1 ZINC000422954323 296360479 /nfs/dbraw/zinc/36/04/79/296360479.db2.gz IBSLRQXWGPSEPE-LSDHHAIUSA-N 1 3 323.506 2.768 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCOc1ccccc1C(C)(C)C ZINC000422960466 296361399 /nfs/dbraw/zinc/36/13/99/296361399.db2.gz WMQHOCPCIFPBLC-ZMSDIMECSA-N 1 3 320.477 2.705 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000422965507 296361891 /nfs/dbraw/zinc/36/18/91/296361891.db2.gz LERQNYDTHFPAFJ-HKUYNNGSSA-N 1 3 318.461 2.599 20 0 DFADHO COCCNc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422968873 296362465 /nfs/dbraw/zinc/36/24/65/296362465.db2.gz SJTFKWJWFFGYRQ-GUDVDZBRSA-N 1 3 317.477 2.755 20 0 DFADHO c1ccc(CO[C@@H]2CCC[C@@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422987350 296364194 /nfs/dbraw/zinc/36/41/94/296364194.db2.gz GAMMUHHDMSIUKR-JKHFOPOESA-N 1 3 300.446 2.997 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422985747 296364208 /nfs/dbraw/zinc/36/42/08/296364208.db2.gz ADUAIWAYUWRQFR-SCRDCRAPSA-N 1 3 318.383 2.572 20 0 DFADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422985747 296364209 /nfs/dbraw/zinc/36/42/09/296364209.db2.gz ADUAIWAYUWRQFR-SCRDCRAPSA-N 1 3 318.383 2.572 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000422991259 296364491 /nfs/dbraw/zinc/36/44/91/296364491.db2.gz AQYDNPMOQWSQNV-RDJZCZTQSA-N 1 3 318.509 2.867 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000422991259 296364492 /nfs/dbraw/zinc/36/44/92/296364492.db2.gz AQYDNPMOQWSQNV-RDJZCZTQSA-N 1 3 318.509 2.867 20 0 DFADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1CCCCN1 ZINC000422989032 296364560 /nfs/dbraw/zinc/36/45/60/296364560.db2.gz LKOVXCGCROOHDO-OALUTQOASA-N 1 3 316.493 2.808 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994772 296364915 /nfs/dbraw/zinc/36/49/15/296364915.db2.gz WDVPZWBODWCLCO-RWMBFGLXSA-N 1 3 318.383 2.572 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994772 296364917 /nfs/dbraw/zinc/36/49/17/296364917.db2.gz WDVPZWBODWCLCO-RWMBFGLXSA-N 1 3 318.383 2.572 20 0 DFADHO Cc1cc(C[C@H](C)N[C@H](C)C[C@H](C)[NH3+])n(-c2ccccc2)n1 ZINC000423000587 296365886 /nfs/dbraw/zinc/36/58/86/296365886.db2.gz VQBHKDNJJFPCAK-ZNMIVQPWSA-N 1 3 300.450 2.827 20 0 DFADHO Cc1cc(C[C@H](C)[NH2+][C@H](C)C[C@H](C)N)n(-c2ccccc2)n1 ZINC000423000587 296365887 /nfs/dbraw/zinc/36/58/87/296365887.db2.gz VQBHKDNJJFPCAK-ZNMIVQPWSA-N 1 3 300.450 2.827 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(CCO)CCCCC1 ZINC000423001536 296365955 /nfs/dbraw/zinc/36/59/55/296365955.db2.gz DVJAYUCWECDAKK-FUHWJXTLSA-N 1 3 304.478 2.867 20 0 DFADHO COc1cccc(COCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423002820 296365995 /nfs/dbraw/zinc/36/59/95/296365995.db2.gz JXTNMBLYMKOZPK-IPMKNSEASA-N 1 3 318.461 2.722 20 0 DFADHO Clc1ccc(Br)c(CC[NH2+]C2CCNCC2)c1 ZINC000422996192 296365358 /nfs/dbraw/zinc/36/53/58/296365358.db2.gz LFSIVDCEKSAWNY-UHFFFAOYSA-N 1 3 317.658 2.987 20 0 DFADHO Clc1ccc(Br)c(CCNC2CC[NH2+]CC2)c1 ZINC000422996192 296365359 /nfs/dbraw/zinc/36/53/59/296365359.db2.gz LFSIVDCEKSAWNY-UHFFFAOYSA-N 1 3 317.658 2.987 20 0 DFADHO Cc1cc(C[C@H](C)N[C@H](C)[C@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000422995579 296365362 /nfs/dbraw/zinc/36/53/62/296365362.db2.gz KKSCRQFUYFINFC-UAGQMJEPSA-N 1 3 312.461 2.699 20 0 DFADHO Fc1cccnc1OCCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422998044 296365652 /nfs/dbraw/zinc/36/56/52/296365652.db2.gz PIPNOAFIRLUOCL-NVXWUHKLSA-N 1 3 315.392 2.682 20 0 DFADHO C[C@@H](NCC(C)(C)c1ccccc1Br)C1C[NH2+]C1 ZINC000422998522 296365654 /nfs/dbraw/zinc/36/56/54/296365654.db2.gz QMHRPUNNVLWQLC-LLVKDONJSA-N 1 3 311.267 2.924 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)c1ccccc1Br)C1CNC1 ZINC000422998522 296365655 /nfs/dbraw/zinc/36/56/55/296365655.db2.gz QMHRPUNNVLWQLC-LLVKDONJSA-N 1 3 311.267 2.924 20 0 DFADHO COc1ccc(OC)c(CCC[NH2+][C@H]2CCNCC[C@H]2C)c1 ZINC000423009038 296367047 /nfs/dbraw/zinc/36/70/47/296367047.db2.gz BSHUKZSFPZHVQJ-PBHICJAKSA-N 1 3 306.450 2.614 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1cnc(C2CC2)nc1 ZINC000423009537 296367176 /nfs/dbraw/zinc/36/71/76/296367176.db2.gz DFANCWDSKYQACM-WMLDXEAASA-N 1 3 302.466 2.797 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000423014876 296367863 /nfs/dbraw/zinc/36/78/63/296367863.db2.gz PZEIKWGGXFHQRD-VXGBXAGGSA-N 1 3 317.355 2.586 20 0 DFADHO N[C@H]1CCCCC[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423011022 296367348 /nfs/dbraw/zinc/36/73/48/296367348.db2.gz HYZYTELAACUQQG-NWDGAFQWSA-N 1 3 317.355 2.729 20 0 DFADHO CC[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000347611583 285092310 /nfs/dbraw/zinc/09/23/10/285092310.db2.gz MIFJDIJEXJWISW-OAHLLOKOSA-N 1 3 321.490 2.532 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423011024 296367401 /nfs/dbraw/zinc/36/74/01/296367401.db2.gz HYZYTELAACUQQG-VXGBXAGGSA-N 1 3 317.355 2.729 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H](C)[C@H]3CCC[NH2+]3)c2)CC1 ZINC000423029174 296369486 /nfs/dbraw/zinc/36/94/86/296369486.db2.gz RUSZUPAWYRBYJR-VQIMIIECSA-N 1 3 316.493 2.769 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCSCC(F)(F)F ZINC000423018981 296368577 /nfs/dbraw/zinc/36/85/77/296368577.db2.gz SSIQCXPCUNBPCN-VIFPVBQESA-N 1 3 307.385 2.795 20 0 DFADHO COc1ccccc1C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000423031799 296370027 /nfs/dbraw/zinc/37/00/27/296370027.db2.gz DRTLTYBLQJZDTH-XYPWUTKMSA-N 1 3 300.446 2.990 20 0 DFADHO Cc1cccc2c1C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@H]31)CO2 ZINC000624070618 399542582 /nfs/dbraw/zinc/54/25/82/399542582.db2.gz LFHWPAFYBBHEPZ-CWLKWCNXSA-N 1 3 300.446 2.761 20 0 DFADHO Cc1cccc2c1C[C@H](N[C@@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)CO2 ZINC000624070618 399542590 /nfs/dbraw/zinc/54/25/90/399542590.db2.gz LFHWPAFYBBHEPZ-CWLKWCNXSA-N 1 3 300.446 2.761 20 0 DFADHO CCC(CC)[C@@H]1C[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCO1 ZINC000423040160 296371008 /nfs/dbraw/zinc/37/10/08/296371008.db2.gz GSJRWLLOGBCAQA-FQBWVUSXSA-N 1 3 324.509 2.717 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1nn(C)c2ccccc12 ZINC000423045570 296371564 /nfs/dbraw/zinc/37/15/64/296371564.db2.gz CFKGTABHNLINPQ-CYBMUJFWSA-N 1 3 323.444 2.629 20 0 DFADHO C[C@H]1CC[NH2+]C[C@H]1NCC1(CCOCc2ccccc2)CC1 ZINC000423046097 296371648 /nfs/dbraw/zinc/37/16/48/296371648.db2.gz DCXWACNAPIUKHD-FUHWJXTLSA-N 1 3 302.462 2.961 20 0 DFADHO Cn1nc(CC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)c2ccccc21 ZINC000423048763 296371890 /nfs/dbraw/zinc/37/18/90/296371890.db2.gz IRXXZZTZAVGMFN-SJLPKXTDSA-N 1 3 306.413 2.850 20 0 DFADHO Cc1cccc(C[C@H](CO)N[C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000423057606 296373126 /nfs/dbraw/zinc/37/31/26/296373126.db2.gz HMNSTKHHPNTMOW-QXAKKESOSA-N 1 3 304.478 2.799 20 0 DFADHO CO[C@H](CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])C(F)(F)F ZINC000423067098 296374514 /nfs/dbraw/zinc/37/45/14/296374514.db2.gz GIAFYROSOGJWNX-FPMFFAJLSA-N 1 3 304.356 2.502 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000423064766 296374186 /nfs/dbraw/zinc/37/41/86/296374186.db2.gz ZRVHTCSXYHDUIQ-RDTXWAMCSA-N 1 3 321.896 2.676 20 0 DFADHO O[C@@H]1CCC[C@@]1(CN[C@H]1CCC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000423072437 296375004 /nfs/dbraw/zinc/37/50/04/296375004.db2.gz HJEDLIOXXZWVDP-OTWHNJEPSA-N 1 3 320.452 2.631 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCOCC(F)(F)C(F)F ZINC000423073600 296375173 /nfs/dbraw/zinc/37/51/73/296375173.db2.gz JFGQHOAHEGGOMZ-VXGBXAGGSA-N 1 3 314.367 2.804 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCOCC(F)(F)C(F)F ZINC000423073598 296375210 /nfs/dbraw/zinc/37/52/10/296375210.db2.gz JFGQHOAHEGGOMZ-NWDGAFQWSA-N 1 3 314.367 2.804 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000423089355 296377243 /nfs/dbraw/zinc/37/72/43/296377243.db2.gz UXPSUVLCWKJFQI-LMMKCTJWSA-N 1 3 301.478 2.881 20 0 DFADHO CC1(c2ccccc2)CC(N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423094410 296377618 /nfs/dbraw/zinc/37/76/18/296377618.db2.gz BRLKRMDRWQERKT-FNNTYFIOSA-N 1 3 314.473 2.853 20 0 DFADHO CSc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423092434 296377630 /nfs/dbraw/zinc/37/76/30/296377630.db2.gz BWNUHVSCFLMODF-KZNAEPCWSA-N 1 3 320.502 2.698 20 0 DFADHO CC1(c2ccccc2)CC(N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423094413 296377655 /nfs/dbraw/zinc/37/76/55/296377655.db2.gz BRLKRMDRWQERKT-YJGITHLRSA-N 1 3 314.473 2.853 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000624123038 399560888 /nfs/dbraw/zinc/56/08/88/399560888.db2.gz DOCXWJDIUDHIQA-HZPDHXFCSA-N 1 3 317.477 2.771 20 0 DFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccc2c[nH]nc2c1 ZINC000423111731 296379631 /nfs/dbraw/zinc/37/96/31/296379631.db2.gz WLTNMDYZPCRCRH-KDOFPFPSSA-N 1 3 308.429 2.654 20 0 DFADHO CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)c2ccccc21 ZINC000624124094 399562174 /nfs/dbraw/zinc/56/21/74/399562174.db2.gz XEFPGQBHCFXCRZ-AEFFLSMTSA-N 1 3 315.461 2.806 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000423118735 296380620 /nfs/dbraw/zinc/38/06/20/296380620.db2.gz AATFEAOICBAZOF-MLGOLLRUSA-N 1 3 315.392 2.642 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000624124153 399562754 /nfs/dbraw/zinc/56/27/54/399562754.db2.gz YPOHPLVPXZGGKJ-QWHCGFSZSA-N 1 3 303.406 2.916 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000423118736 296380773 /nfs/dbraw/zinc/38/07/73/296380773.db2.gz AATFEAOICBAZOF-WBMJQRKESA-N 1 3 315.392 2.642 20 0 DFADHO C[C@H](N[C@@H]1c2ccccc2CC12CCOCC2)[C@H]1CC[NH2+]C1 ZINC000423124789 296381583 /nfs/dbraw/zinc/38/15/83/296381583.db2.gz PCYHPKJOTNBJJK-QILLFSRXSA-N 1 3 300.446 2.668 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423123703 296381116 /nfs/dbraw/zinc/38/11/16/296381116.db2.gz LQROWGMJTVSDAJ-RYMFRWLXSA-N 1 3 308.388 2.697 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](CO)C1CCCCC1 ZINC000423131009 296382349 /nfs/dbraw/zinc/38/23/49/296382349.db2.gz HNDLQMABZSBUGB-XJKSGUPXSA-N 1 3 305.466 2.688 20 0 DFADHO Cc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C2 ZINC000423133767 296382588 /nfs/dbraw/zinc/38/25/88/296382588.db2.gz CWBZVNYWKRNTLB-WMLDXEAASA-N 1 3 311.429 2.811 20 0 DFADHO C[C@@H](NCCc1cnc(SC2CCCC2)nc1)[C@@H]1CC[NH2+]C1 ZINC000423134530 296382620 /nfs/dbraw/zinc/38/26/20/296382620.db2.gz MKMHCVRSCKXCGY-UKRRQHHQSA-N 1 3 320.506 2.641 20 0 DFADHO Fc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423136974 296382987 /nfs/dbraw/zinc/38/29/87/296382987.db2.gz VPRNCSMFIOVXND-BURFUSLBSA-N 1 3 317.452 2.915 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1cccc(C(F)(F)F)n1 ZINC000423134390 296382491 /nfs/dbraw/zinc/38/24/91/296382491.db2.gz RSKOHLQJNIFSPQ-AAEUAGOBSA-N 1 3 301.356 2.621 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1cc(C(F)(F)F)ccn1 ZINC000423140528 296383849 /nfs/dbraw/zinc/38/38/49/296383849.db2.gz YVSJEXDRRSEFJC-RISCZKNCSA-N 1 3 301.356 2.621 20 0 DFADHO CSc1ccc([C@H](CN[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000423143154 296384167 /nfs/dbraw/zinc/38/41/67/296384167.db2.gz CLZRXAPKQXKWGO-WBVHZDCISA-N 1 3 307.507 2.743 20 0 DFADHO Cc1cccc2c1OC[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423141393 296383699 /nfs/dbraw/zinc/38/36/99/296383699.db2.gz PQPZPZFLKUVYCQ-XMTFNYHQSA-N 1 3 300.446 2.809 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000423146680 296384596 /nfs/dbraw/zinc/38/45/96/296384596.db2.gz PYBPKVBHTHJHRV-OXVOBEKISA-N 1 3 310.388 2.684 20 0 DFADHO Clc1cc(Br)ccc1CC[NH2+]C1CCNCC1 ZINC000423146715 296384722 /nfs/dbraw/zinc/38/47/22/296384722.db2.gz QCHYYXZGAURLOW-UHFFFAOYSA-N 1 3 317.658 2.987 20 0 DFADHO Clc1cc(Br)ccc1CCNC1CC[NH2+]CC1 ZINC000423146715 296384723 /nfs/dbraw/zinc/38/47/23/296384723.db2.gz QCHYYXZGAURLOW-UHFFFAOYSA-N 1 3 317.658 2.987 20 0 DFADHO CC(C)=CCN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120278160 195134292 /nfs/dbraw/zinc/13/42/92/195134292.db2.gz OZTCOQNAIDKSRH-UHFFFAOYSA-N 1 3 321.509 2.657 20 0 DFADHO Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)CC2)c(C)c1 ZINC000423147661 296385000 /nfs/dbraw/zinc/38/50/00/296385000.db2.gz SNYLSGYUPDVWRF-SOLBZPMBSA-N 1 3 302.462 2.677 20 0 DFADHO Cc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])CC2)c(C)c1 ZINC000423147661 296385002 /nfs/dbraw/zinc/38/50/02/296385002.db2.gz SNYLSGYUPDVWRF-SOLBZPMBSA-N 1 3 302.462 2.677 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000423156838 296386240 /nfs/dbraw/zinc/38/62/40/296386240.db2.gz LSTXGLIAZWLYTP-UJCHZGTJSA-N 1 3 302.462 2.912 20 0 DFADHO CC(C)(O)C(C)(C)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423162466 296386785 /nfs/dbraw/zinc/38/67/85/296386785.db2.gz PIWPIVNCEWIGOT-BEFAXECRSA-N 1 3 318.461 2.629 20 0 DFADHO c1ncn2cc(C[NH2+][C@H]3CCN[C@@H](c4ccccc4)C3)ccc12 ZINC000423165610 296387309 /nfs/dbraw/zinc/38/73/09/296387309.db2.gz BGWAXZMKAAJQDL-PKOBYXMFSA-N 1 3 306.413 2.917 20 0 DFADHO c1ncn2cc(CN[C@H]3CC[NH2+][C@@H](c4ccccc4)C3)ccc12 ZINC000423165610 296387313 /nfs/dbraw/zinc/38/73/13/296387313.db2.gz BGWAXZMKAAJQDL-PKOBYXMFSA-N 1 3 306.413 2.917 20 0 DFADHO CCO[C@@H]1CCC[C@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423160790 296386506 /nfs/dbraw/zinc/38/65/06/296386506.db2.gz HWDOYYQUDRIXJD-PSBWJHGTSA-N 1 3 316.445 2.790 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000423161341 296386541 /nfs/dbraw/zinc/38/65/41/296386541.db2.gz JAVWVBMHLOBXOK-IUODEOHRSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1cccc(Br)c1 ZINC000423161341 296386542 /nfs/dbraw/zinc/38/65/42/296386542.db2.gz JAVWVBMHLOBXOK-IUODEOHRSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H](NCCOc1ccc(Cl)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000423159682 296386570 /nfs/dbraw/zinc/38/65/70/296386570.db2.gz PSDDCLIYMKIDJR-GHMZBOCLSA-N 1 3 303.233 2.960 20 0 DFADHO CC1(C)CCCN1CC[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000423169241 296387728 /nfs/dbraw/zinc/38/77/28/296387728.db2.gz VVIUBXAQFPMPKR-QZTJIDSGSA-N 1 3 301.478 2.944 20 0 DFADHO COc1ccc(C[C@@H](NCCC[NH3+])c2ccc(OC)cc2)cc1 ZINC000423178977 296389039 /nfs/dbraw/zinc/38/90/39/296389039.db2.gz CLGSUWGUALCHRX-LJQANCHMSA-N 1 3 314.429 2.926 20 0 DFADHO Cc1cc2cc([C@@H](C)NCCCN3CC[NH2+]CC3)oc2cc1C ZINC000423178121 296388406 /nfs/dbraw/zinc/38/84/06/296388406.db2.gz KEODRPDKKPYNNE-MRXNPFEDSA-N 1 3 315.461 2.996 20 0 DFADHO Cc1ccccc1[C@@H](NCCCN1CC[NH2+]CC1)c1ccccc1 ZINC000423178454 296388518 /nfs/dbraw/zinc/38/85/18/296388518.db2.gz GDFFHZLMIHVCGG-NRFANRHFSA-N 1 3 323.484 2.969 20 0 DFADHO CC[C@@H](NCCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423199527 296391653 /nfs/dbraw/zinc/39/16/53/296391653.db2.gz BUAYDZFSHKUMQP-OAHLLOKOSA-N 1 3 316.276 2.939 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCNC2)c(C)c1OC ZINC000423206591 296392547 /nfs/dbraw/zinc/39/25/47/296392547.db2.gz GGCTVPZWZQQLFC-HIFRSBDPSA-N 1 3 306.450 2.532 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423206591 296392549 /nfs/dbraw/zinc/39/25/49/296392549.db2.gz GGCTVPZWZQQLFC-HIFRSBDPSA-N 1 3 306.450 2.532 20 0 DFADHO C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1Cc1ccccc1 ZINC000423209508 296392811 /nfs/dbraw/zinc/39/28/11/296392811.db2.gz GHYGYJQJNQIVPN-QRTFOUQQSA-N 1 3 313.489 2.912 20 0 DFADHO Brc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCCNC1)C2 ZINC000423217121 296393468 /nfs/dbraw/zinc/39/34/68/296393468.db2.gz SXYADIUNRLGPPD-BLLLJJGKSA-N 1 3 323.278 2.896 20 0 DFADHO C[C@@H]([NH3+])CCN[C@@H](C)c1ccc(I)cc1 ZINC000423242116 296396269 /nfs/dbraw/zinc/39/62/69/296396269.db2.gz YNGQULXAINSEAI-ZJUUUORDSA-N 1 3 318.202 2.679 20 0 DFADHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1ncc(Br)cc1F ZINC000423245002 296396638 /nfs/dbraw/zinc/39/66/38/296396638.db2.gz IIQREGVBDLKOQM-UWVGGRQHSA-N 1 3 316.218 2.633 20 0 DFADHO COC(=O)CCCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156962934 197152587 /nfs/dbraw/zinc/15/25/87/197152587.db2.gz JJOILZMNCOXNSQ-AEFFLSMTSA-N 1 3 318.461 2.925 20 0 DFADHO COC(=O)CCCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156962934 197152589 /nfs/dbraw/zinc/15/25/89/197152589.db2.gz JJOILZMNCOXNSQ-AEFFLSMTSA-N 1 3 318.461 2.925 20 0 DFADHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423263636 296398194 /nfs/dbraw/zinc/39/81/94/296398194.db2.gz BFPMOGRACOEBKA-RTBURBONSA-N 1 3 313.445 2.947 20 0 DFADHO COc1ccc([C@H](C)[NH2+][C@@H](CN)CC(C)C)cc1NC(C)=O ZINC000423261254 296397835 /nfs/dbraw/zinc/39/78/35/296397835.db2.gz JGIBFBDUNADZNF-SWLSCSKDSA-N 1 3 307.438 2.678 20 0 DFADHO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423269079 296399026 /nfs/dbraw/zinc/39/90/26/296399026.db2.gz GZYHSZCBHPFQAR-LNSITVRQSA-N 1 3 301.434 2.694 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@H]1CCc2cc(Br)ccc2C1 ZINC000423270707 296399337 /nfs/dbraw/zinc/39/93/37/296399337.db2.gz IDHYYVFDQPDMEE-NHYWBVRUSA-N 1 3 311.267 2.752 20 0 DFADHO CNC[C@H](C)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423270707 296399338 /nfs/dbraw/zinc/39/93/38/296399338.db2.gz IDHYYVFDQPDMEE-NHYWBVRUSA-N 1 3 311.267 2.752 20 0 DFADHO CCO[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])[C@H]1Oc1ccccc1 ZINC000423267630 296398574 /nfs/dbraw/zinc/39/85/74/296398574.db2.gz CZCHYASZAWKCLU-IKLKHMQRSA-N 1 3 318.461 2.719 20 0 DFADHO CCO[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])[C@@H]1Oc1ccccc1 ZINC000423267632 296398697 /nfs/dbraw/zinc/39/86/97/296398697.db2.gz CZCHYASZAWKCLU-YYTXDEJISA-N 1 3 318.461 2.719 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccncc1 ZINC000156476745 197116568 /nfs/dbraw/zinc/11/65/68/197116568.db2.gz GCSLOZFVODRCHJ-KRWDZBQOSA-N 1 3 324.472 2.680 20 0 DFADHO CCC(C)(C)C1CCC(NCc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000629420049 399599061 /nfs/dbraw/zinc/59/90/61/399599061.db2.gz RNCVUQFVBPMGEF-DQPZFDDXSA-N 1 3 319.497 2.897 20 0 DFADHO CC[NH+]1CCC(N[C@H](C)[C@@H](OC)c2ccc(OC)cc2)CC1 ZINC000271655224 209098006 /nfs/dbraw/zinc/09/80/06/209098006.db2.gz CEWTWDVZUWOIAK-RDTXWAMCSA-N 1 3 306.450 2.845 20 0 DFADHO CCOC(=O)CCCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000602844706 399599322 /nfs/dbraw/zinc/59/93/22/399599322.db2.gz DKBCWNPGPITEQE-UHFFFAOYSA-N 1 3 319.449 2.717 20 0 DFADHO CCOC(=O)CCCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000602844706 399599327 /nfs/dbraw/zinc/59/93/27/399599327.db2.gz DKBCWNPGPITEQE-UHFFFAOYSA-N 1 3 319.449 2.717 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cnc3ccnn3c2)C1 ZINC000624213760 399600500 /nfs/dbraw/zinc/60/05/00/399600500.db2.gz CIYVNBPUZHELSU-IYBDPMFKSA-N 1 3 315.465 2.577 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cnc3ccnn3c2)C1 ZINC000624213760 399600502 /nfs/dbraw/zinc/60/05/02/399600502.db2.gz CIYVNBPUZHELSU-IYBDPMFKSA-N 1 3 315.465 2.577 20 0 DFADHO C[C@H](NC[C@]1(C)CCC[NH2+]C1)c1cccc(OCCN(C)C)c1 ZINC000423323024 296404529 /nfs/dbraw/zinc/40/45/29/296404529.db2.gz HXMPDYWSISQFGB-QFBILLFUSA-N 1 3 319.493 2.667 20 0 DFADHO C[C@H](CNC(=O)C(C)(C)[C@@H](N)c1ccccc1)C[NH+]1CCCC1 ZINC000423336320 296406112 /nfs/dbraw/zinc/40/61/12/296406112.db2.gz GRDFMTBCRRHBTF-WBVHZDCISA-N 1 3 317.477 2.561 20 0 DFADHO C[NH+](C)Cc1cccc(CNC(=O)[C@@H](N)CC2CCCCC2)c1 ZINC000423336737 296405952 /nfs/dbraw/zinc/40/59/52/296405952.db2.gz YCALJYPNNUBSKD-SFHVURJKSA-N 1 3 317.477 2.662 20 0 DFADHO COc1ccc([C@@H](C)[C@@H](C)NCC[C@H]2CCC[NH2+]2)cc1OC ZINC000423355644 296407893 /nfs/dbraw/zinc/40/78/93/296407893.db2.gz FQDQYGWYWNJNPZ-SQWLQELKSA-N 1 3 306.450 2.928 20 0 DFADHO Cc1ccc([C@H](CCn2cncn2)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423382969 296410853 /nfs/dbraw/zinc/41/08/53/296410853.db2.gz KCPWNTDBYWJFFE-SQNIBIBYSA-N 1 3 313.449 2.577 20 0 DFADHO COc1cc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc(OC)c1OC ZINC000423388337 296411774 /nfs/dbraw/zinc/41/17/74/296411774.db2.gz NJUSUNLJNCQDRS-YUTCNCBUSA-N 1 3 308.422 2.633 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000356445173 285247583 /nfs/dbraw/zinc/24/75/83/285247583.db2.gz JBTQLKSZJNQHFW-AOIWGVFYSA-N 1 3 323.525 2.543 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000356445173 285247588 /nfs/dbraw/zinc/24/75/88/285247588.db2.gz JBTQLKSZJNQHFW-AOIWGVFYSA-N 1 3 323.525 2.543 20 0 DFADHO CC[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@H]1CCOC1 ZINC000423468126 296418783 /nfs/dbraw/zinc/41/87/83/296418783.db2.gz JKEVFJSNFIOOMC-RNIPGJKVSA-N 1 3 320.452 2.924 20 0 DFADHO Cc1noc(CCC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)n1 ZINC000347943326 285261449 /nfs/dbraw/zinc/26/14/49/285261449.db2.gz WQLQFPIDOXRAOI-ZFWWWQNUSA-N 1 3 306.454 2.553 20 0 DFADHO CCCC(CCC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120655454 195209450 /nfs/dbraw/zinc/20/94/50/195209450.db2.gz JQFBQNJLILHPRW-UHFFFAOYSA-N 1 3 323.525 2.878 20 0 DFADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCNC2CC2)cc1OC ZINC000423542436 296428152 /nfs/dbraw/zinc/42/81/52/296428152.db2.gz BAERVWJUHASBNE-UONOGXRCSA-N 1 3 306.450 2.928 20 0 DFADHO CC(C)[C@H]1CN(Cc2ccccc2)CCN1C[C@@H]1CCC[N@@H+]1C ZINC000625728542 399626031 /nfs/dbraw/zinc/62/60/31/399626031.db2.gz XHMLWBVAOGPNBL-VQTJNVASSA-N 1 3 315.505 2.923 20 0 DFADHO CC(C)[C@H]1CN(Cc2ccccc2)CCN1C[C@@H]1CCC[N@H+]1C ZINC000625728542 399626034 /nfs/dbraw/zinc/62/60/34/399626034.db2.gz XHMLWBVAOGPNBL-VQTJNVASSA-N 1 3 315.505 2.923 20 0 DFADHO CC(C)[C@H]1CN(Cc2ccccc2)CC[N@@H+]1C[C@@H]1CCCN1C ZINC000625728542 399626038 /nfs/dbraw/zinc/62/60/38/399626038.db2.gz XHMLWBVAOGPNBL-VQTJNVASSA-N 1 3 315.505 2.923 20 0 DFADHO CC(C)[C@H]1CN(Cc2ccccc2)CC[N@H+]1C[C@@H]1CCCN1C ZINC000625728542 399626040 /nfs/dbraw/zinc/62/60/40/399626040.db2.gz XHMLWBVAOGPNBL-VQTJNVASSA-N 1 3 315.505 2.923 20 0 DFADHO COc1cc(C[N@H+](C)C[C@H]2CCN(C)C2)ccc1OC(C)C ZINC000120925726 195264826 /nfs/dbraw/zinc/26/48/26/195264826.db2.gz WUSGHFFYFCMGPL-INIZCTEOSA-N 1 3 306.450 2.866 20 0 DFADHO COc1cc(C[N@@H+](C)C[C@H]2CCN(C)C2)ccc1OC(C)C ZINC000120925726 195264827 /nfs/dbraw/zinc/26/48/27/195264827.db2.gz WUSGHFFYFCMGPL-INIZCTEOSA-N 1 3 306.450 2.866 20 0 DFADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000629512472 399629753 /nfs/dbraw/zinc/62/97/53/399629753.db2.gz AMJRPVGJSLCKIU-OYSTVDSJSA-N 1 3 314.473 2.925 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629512926 399630357 /nfs/dbraw/zinc/63/03/57/399630357.db2.gz CZOGNTZJCADSGI-NKKGCODLSA-N 1 3 324.852 2.545 20 0 DFADHO Cc1cnccc1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000294882949 224284629 /nfs/dbraw/zinc/28/46/29/224284629.db2.gz QXDVPGMDNDFNQI-IRXDYDNUSA-N 1 3 317.477 2.711 20 0 DFADHO CC(C)[C@H](CSc1ccccc1)NCC1([NH3+])CCOCC1 ZINC000629523699 399635201 /nfs/dbraw/zinc/63/52/01/399635201.db2.gz IDHUXEIKNJTBAJ-INIZCTEOSA-N 1 3 308.491 2.901 20 0 DFADHO CC(C)CC[C@H](CO)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629525198 399635218 /nfs/dbraw/zinc/63/52/18/399635218.db2.gz WOUUPNSZFNDSQY-SZVBFZGTSA-N 1 3 318.461 2.629 20 0 DFADHO CCC[NH+]1CCC(NC[C@@]2(CO)C[C@@H]2c2ccccc2)CC1 ZINC000289855587 221271468 /nfs/dbraw/zinc/27/14/68/221271468.db2.gz QSXMSJDXBFRCAI-RTBURBONSA-N 1 3 302.462 2.617 20 0 DFADHO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc(N2CCCC2)n1 ZINC000289913254 221311238 /nfs/dbraw/zinc/31/12/38/221311238.db2.gz ULWOUUMEPICEKU-YXJHDRRASA-N 1 3 316.493 2.809 20 0 DFADHO C[NH2+]CCOCCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000629530173 399637702 /nfs/dbraw/zinc/63/77/02/399637702.db2.gz XHQZUSSLVQDHTB-SFHVURJKSA-N 1 3 302.393 2.741 20 0 DFADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000289967550 221348319 /nfs/dbraw/zinc/34/83/19/221348319.db2.gz NERKVTNYCXUGTB-QZTJIDSGSA-N 1 3 315.461 2.999 20 0 DFADHO CC(C)[C@@H](CNC[C@@H](O)C[NH+]1CCCC1)Cc1ccccc1 ZINC000629576640 399653418 /nfs/dbraw/zinc/65/34/18/399653418.db2.gz NVHPMRAAIIBUNI-RTBURBONSA-N 1 3 304.478 2.548 20 0 DFADHO O[C@H](CN[C@H]1C[C@H](c2ccccc2Cl)C1)C[NH+]1CCCC1 ZINC000629580230 399653890 /nfs/dbraw/zinc/65/38/90/399653890.db2.gz OALNAKQGVKZSGY-RBSFLKMASA-N 1 3 308.853 2.632 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nccc2ccccc21 ZINC000624386815 399660320 /nfs/dbraw/zinc/66/03/20/399660320.db2.gz YJPCGQCXMIMQGT-HNNXBMFYSA-N 1 3 300.450 2.919 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nccc2ccccc21 ZINC000624386815 399660325 /nfs/dbraw/zinc/66/03/25/399660325.db2.gz YJPCGQCXMIMQGT-HNNXBMFYSA-N 1 3 300.450 2.919 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccnc(-c2ccccc2)c1 ZINC000629550974 399645259 /nfs/dbraw/zinc/64/52/59/399645259.db2.gz QJEFYGAXZINQHE-QGTPRVQTSA-N 1 3 311.429 2.591 20 0 DFADHO CC(C)CC[C@H](NCc1cn([C@@H]2CC[NH2+]C2)nn1)C(C)(C)C ZINC000629551830 399645692 /nfs/dbraw/zinc/64/56/92/399645692.db2.gz XGXORBRCELIFSK-CVEARBPZSA-N 1 3 307.486 2.753 20 0 DFADHO C[NH2+]CCOCCN(C)[C@@H](C)c1ccc(Br)cc1 ZINC000629572065 399651664 /nfs/dbraw/zinc/65/16/64/399651664.db2.gz VKKMRTKNENOKSP-LBPRGKRZSA-N 1 3 315.255 2.678 20 0 DFADHO CC1(C)CC[C@H](CNC[C@@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000629573009 399652429 /nfs/dbraw/zinc/65/24/29/399652429.db2.gz BNLGMSKBUPBDCH-IAGOWNOFSA-N 1 3 316.489 2.888 20 0 DFADHO C[NH2+]CCOCCN(C)Cc1ccc(OC(C)C)c(Cl)c1 ZINC000629571798 399652514 /nfs/dbraw/zinc/65/25/14/399652514.db2.gz JHQLASQCFUTQLA-UHFFFAOYSA-N 1 3 314.857 2.795 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000632517545 399682058 /nfs/dbraw/zinc/68/20/58/399682058.db2.gz MMPDROXXLJFHOJ-DZJNRPSUSA-N 1 3 317.477 2.524 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC[N@H+]1C ZINC000632517545 399682062 /nfs/dbraw/zinc/68/20/62/399682062.db2.gz MMPDROXXLJFHOJ-DZJNRPSUSA-N 1 3 317.477 2.524 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(CN(C)C)cc2)cc1 ZINC000423724473 296441922 /nfs/dbraw/zinc/44/19/22/296441922.db2.gz IHGSAWRTMQGVIJ-CQSZACIVSA-N 1 3 311.429 2.698 20 0 DFADHO Cc1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)c1 ZINC000617506782 399720697 /nfs/dbraw/zinc/72/06/97/399720697.db2.gz ZBEDOVAUTRBWOW-KRWDZBQOSA-N 1 3 319.493 2.614 20 0 DFADHO Cc1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)c1 ZINC000617506782 399720698 /nfs/dbraw/zinc/72/06/98/399720698.db2.gz ZBEDOVAUTRBWOW-KRWDZBQOSA-N 1 3 319.493 2.614 20 0 DFADHO CN(C)CCN(Cc1cccs1)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000423776656 296446592 /nfs/dbraw/zinc/44/65/92/296446592.db2.gz QOLGIODDAKCUSL-GDBMZVCRSA-N 1 3 323.506 2.546 20 0 DFADHO CC(C)C[C@@H](C)N(C)C(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000121669448 195327706 /nfs/dbraw/zinc/32/77/06/195327706.db2.gz FVJPMDRWBUBHLY-MRXNPFEDSA-N 1 3 311.514 2.543 20 0 DFADHO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000348124689 285365992 /nfs/dbraw/zinc/36/59/92/285365992.db2.gz NLFJVMWZJXTCDZ-MJGOQNOKSA-N 1 3 302.462 2.922 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000121773155 195344865 /nfs/dbraw/zinc/34/48/65/195344865.db2.gz MWRYZTPLSVFYAP-QGZVFWFLSA-N 1 3 311.514 2.543 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000121773155 195344867 /nfs/dbraw/zinc/34/48/67/195344867.db2.gz MWRYZTPLSVFYAP-QGZVFWFLSA-N 1 3 311.514 2.543 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121063064 542582617 /nfs/dbraw/zinc/58/26/17/542582617.db2.gz ZLSQPKQZHMLDRA-FZKQIMNGSA-N 1 3 323.431 2.568 20 0 DFADHO CCCc1ccc(C[NH2+]CCCCN2CCN(C)CC2)s1 ZINC000621328840 399756105 /nfs/dbraw/zinc/75/61/05/399756105.db2.gz FXANSXSHAQZTTQ-UHFFFAOYSA-N 1 3 309.523 2.818 20 0 DFADHO CCCc1ccc(C[NH2+]CCCN2CCCN(C)CC2)s1 ZINC000621334514 399757436 /nfs/dbraw/zinc/75/74/36/399757436.db2.gz IHZMEOLGYKSFTD-UHFFFAOYSA-N 1 3 309.523 2.818 20 0 DFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)CN(C)C1CCC1)c1ccccc1 ZINC000629957550 399768561 /nfs/dbraw/zinc/76/85/61/399768561.db2.gz KLHNHNSUIJZXSA-HNNXBMFYSA-N 1 3 317.477 2.716 20 0 DFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)CN(C)C1CCC1)c1ccccc1 ZINC000629957552 399769229 /nfs/dbraw/zinc/76/92/29/399769229.db2.gz KLHNHNSUIJZXSA-OAHLLOKOSA-N 1 3 317.477 2.716 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000166379269 542751670 /nfs/dbraw/zinc/75/16/70/542751670.db2.gz XQDDZUUQCGYJLC-OTWHNJEPSA-N 1 3 301.478 2.814 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000166379269 542751671 /nfs/dbraw/zinc/75/16/71/542751671.db2.gz XQDDZUUQCGYJLC-OTWHNJEPSA-N 1 3 301.478 2.814 20 0 DFADHO Fc1ccc(N2CC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166298529 542752281 /nfs/dbraw/zinc/75/22/81/542752281.db2.gz FHLCNCKSJPJQCC-SZVBFZGTSA-N 1 3 317.452 2.868 20 0 DFADHO Fc1ccc(N2CC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166298529 542752287 /nfs/dbraw/zinc/75/22/87/542752287.db2.gz FHLCNCKSJPJQCC-SZVBFZGTSA-N 1 3 317.452 2.868 20 0 DFADHO Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCN4CCC[C@@H]4C3)C2)cc1 ZINC000166298529 542752291 /nfs/dbraw/zinc/75/22/91/542752291.db2.gz FHLCNCKSJPJQCC-SZVBFZGTSA-N 1 3 317.452 2.868 20 0 DFADHO CC(C)C[C@@H](N)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000167618050 542753477 /nfs/dbraw/zinc/75/34/77/542753477.db2.gz WVZBEXQSCXCSCE-GDBMZVCRSA-N 1 3 305.466 2.605 20 0 DFADHO CN1CCC[N@H+](CCCNCc2sccc2Cl)CC1 ZINC000193088391 542856510 /nfs/dbraw/zinc/85/65/10/542856510.db2.gz ZRWBGBIKGMZXNM-UHFFFAOYSA-N 1 3 301.887 2.519 20 0 DFADHO CN1CCC[N@@H+](CCCNCc2sccc2Cl)CC1 ZINC000193088391 542856513 /nfs/dbraw/zinc/85/65/13/542856513.db2.gz ZRWBGBIKGMZXNM-UHFFFAOYSA-N 1 3 301.887 2.519 20 0 DFADHO CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000236723749 542896989 /nfs/dbraw/zinc/89/69/89/542896989.db2.gz FLEVQMCMKULAAS-QZTJIDSGSA-N 1 3 317.477 2.531 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]CCC2CCOCC2)cc1 ZINC000603949250 399819648 /nfs/dbraw/zinc/81/96/48/399819648.db2.gz IEFRDFOUMBCXJC-UHFFFAOYSA-N 1 3 306.450 2.533 20 0 DFADHO C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000261637925 542952529 /nfs/dbraw/zinc/95/25/29/542952529.db2.gz DPKOCVRORHNVEX-NRFBVMONSA-N 1 3 317.521 2.572 20 0 DFADHO C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000261637925 542952532 /nfs/dbraw/zinc/95/25/32/542952532.db2.gz DPKOCVRORHNVEX-NRFBVMONSA-N 1 3 317.521 2.572 20 0 DFADHO C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000261637930 542952635 /nfs/dbraw/zinc/95/26/35/542952635.db2.gz DPKOCVRORHNVEX-WFRNDULYSA-N 1 3 317.521 2.572 20 0 DFADHO C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000261637930 542952638 /nfs/dbraw/zinc/95/26/38/542952638.db2.gz DPKOCVRORHNVEX-WFRNDULYSA-N 1 3 317.521 2.572 20 0 DFADHO Cc1nc2ccccc2c(N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1C ZINC000424415764 296508085 /nfs/dbraw/zinc/50/80/85/296508085.db2.gz UFSCDNIKYPQNET-DLBZAZTESA-N 1 3 321.428 2.516 20 0 DFADHO CCOc1ccc(OCCN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000319358107 543078934 /nfs/dbraw/zinc/07/89/34/543078934.db2.gz UYRCFUORDFKATM-YJBOKZPZSA-N 1 3 304.434 2.525 20 0 DFADHO CCOc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000319358107 543078937 /nfs/dbraw/zinc/07/89/37/543078937.db2.gz UYRCFUORDFKATM-YJBOKZPZSA-N 1 3 304.434 2.525 20 0 DFADHO CCOc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000319358107 543078940 /nfs/dbraw/zinc/07/89/40/543078940.db2.gz UYRCFUORDFKATM-YJBOKZPZSA-N 1 3 304.434 2.525 20 0 DFADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)N(C)Cc1ccccc1 ZINC000339066205 543139533 /nfs/dbraw/zinc/13/95/33/543139533.db2.gz FUVPKSLYIIMZGG-NEWSRXKRSA-N 1 3 301.478 2.723 20 0 DFADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)N(C)Cc1ccccc1 ZINC000339066205 543139535 /nfs/dbraw/zinc/13/95/35/543139535.db2.gz FUVPKSLYIIMZGG-NEWSRXKRSA-N 1 3 301.478 2.723 20 0 DFADHO c1nn(-c2ccccc2)cc1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070078 543140422 /nfs/dbraw/zinc/14/04/22/543140422.db2.gz WDQYRIPPTSVXSI-MJGOQNOKSA-N 1 3 310.445 2.631 20 0 DFADHO c1nn(-c2ccccc2)cc1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070078 543140426 /nfs/dbraw/zinc/14/04/26/543140426.db2.gz WDQYRIPPTSVXSI-MJGOQNOKSA-N 1 3 310.445 2.631 20 0 DFADHO COc1cc2c(cc1OC)[C@H]([NH2+]CC1=CCN(C)CC1)CC2 ZINC000358965232 543270039 /nfs/dbraw/zinc/27/00/39/543270039.db2.gz MOUZVJIGTUHOBG-MRXNPFEDSA-N 1 3 302.418 2.543 20 0 DFADHO C[C@H](CC(=O)N1CCN(CCC(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000165701241 145231109 /nfs/dbraw/zinc/23/11/09/145231109.db2.gz GITDDJPZMNKAGJ-IAGOWNOFSA-N 1 3 323.525 2.593 20 0 DFADHO CCc1ncc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000414280763 543324983 /nfs/dbraw/zinc/32/49/83/543324983.db2.gz DTGHCWAZRUFHFW-IYBDPMFKSA-N 1 3 304.482 2.887 20 0 DFADHO CCc1ncc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000414280763 543324984 /nfs/dbraw/zinc/32/49/84/543324984.db2.gz DTGHCWAZRUFHFW-IYBDPMFKSA-N 1 3 304.482 2.887 20 0 DFADHO OC1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CCN(Cc2ccccc2)CC1 ZINC000414307967 543325650 /nfs/dbraw/zinc/32/56/50/543325650.db2.gz PSEPKELCEPQCLV-RTBURBONSA-N 1 3 314.473 2.792 20 0 DFADHO CCOc1cc2nccc(N3C[C@H]([NH3+])C[C@@H]3C)c2cc1OCC ZINC000630559013 399903180 /nfs/dbraw/zinc/90/31/80/399903180.db2.gz NUNIVHOOTGOWFD-QWHCGFSZSA-N 1 3 315.417 2.958 20 0 DFADHO CCC[C@H](C(=O)N1CCC(CC)([NH+]2CCCC2)CC1)N(C)C ZINC000633954634 399965276 /nfs/dbraw/zinc/96/52/76/399965276.db2.gz VSSBCSDIOHJEOI-MRXNPFEDSA-N 1 3 309.498 2.584 20 0 DFADHO O=c1ccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000631055709 399970704 /nfs/dbraw/zinc/97/07/04/399970704.db2.gz DZGSPKXVNFYKIE-GOSISDBHSA-N 1 3 311.429 2.789 20 0 DFADHO O=c1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000631055709 399970706 /nfs/dbraw/zinc/97/07/06/399970706.db2.gz DZGSPKXVNFYKIE-GOSISDBHSA-N 1 3 311.429 2.789 20 0 DFADHO CCC[NH+]1CCC(CNCc2cccc(NC(C)=O)c2)CC1 ZINC000631066169 399973141 /nfs/dbraw/zinc/97/31/41/399973141.db2.gz ZLVSLWINQIBUSR-UHFFFAOYSA-N 1 3 303.450 2.857 20 0 DFADHO CC[NH+]1CCC(CCNCc2ccnn2CC2CCC2)CC1 ZINC000631078763 399976347 /nfs/dbraw/zinc/97/63/47/399976347.db2.gz INXFMONBOBRXDC-UHFFFAOYSA-N 1 3 304.482 2.895 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000634121791 399985196 /nfs/dbraw/zinc/98/51/96/399985196.db2.gz GTLNIHAVHYOPAT-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO Cn1nc2c(c1CNCCCCC[NH+]1CCCC1)CCCC2 ZINC000631144920 399989225 /nfs/dbraw/zinc/98/92/25/399989225.db2.gz WHSRKWKFUPGALZ-UHFFFAOYSA-N 1 3 304.482 2.655 20 0 DFADHO COc1cc(Cl)c(CNC[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000631168602 399994417 /nfs/dbraw/zinc/99/44/17/399994417.db2.gz HKVNNCBCDWXFBQ-BJHJDKERSA-N 1 3 312.841 2.787 20 0 DFADHO Cc1ccc([C@@H](C)C[NH+]2CCC(N(C)C[C@@H](C)O)CC2)cc1 ZINC000628165769 399994645 /nfs/dbraw/zinc/99/46/45/399994645.db2.gz LSENEHQLMFOKTO-DLBZAZTESA-N 1 3 304.478 2.876 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1ccc(=O)[nH]c1 ZINC000631194926 400000707 /nfs/dbraw/zinc/00/07/07/400000707.db2.gz SEWRAECUKMDJPX-QAPCUYQASA-N 1 3 311.429 2.645 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1ccc(=O)[nH]c1 ZINC000631194926 400000708 /nfs/dbraw/zinc/00/07/08/400000708.db2.gz SEWRAECUKMDJPX-QAPCUYQASA-N 1 3 311.429 2.645 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631194926 400000710 /nfs/dbraw/zinc/00/07/10/400000710.db2.gz SEWRAECUKMDJPX-QAPCUYQASA-N 1 3 311.429 2.645 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)[C@H](C)O1 ZINC000631195709 400000837 /nfs/dbraw/zinc/00/08/37/400000837.db2.gz ZXMPXWDZNOOJRZ-VYDRJQSISA-N 1 3 302.462 2.910 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@H](C)O1 ZINC000631195709 400000838 /nfs/dbraw/zinc/00/08/38/400000838.db2.gz ZXMPXWDZNOOJRZ-VYDRJQSISA-N 1 3 302.462 2.910 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H](C)O1 ZINC000631195709 400000839 /nfs/dbraw/zinc/00/08/39/400000839.db2.gz ZXMPXWDZNOOJRZ-VYDRJQSISA-N 1 3 302.462 2.910 20 0 DFADHO COc1ccc(C[N@H+](C)C[C@@H]2CCN(C)C2)cc1OC1CC1 ZINC000628243093 400007532 /nfs/dbraw/zinc/00/75/32/400007532.db2.gz CEWBSODHGQCRNQ-OAHLLOKOSA-N 1 3 304.434 2.620 20 0 DFADHO COc1ccc(C[N@@H+](C)C[C@@H]2CCN(C)C2)cc1OC1CC1 ZINC000628243093 400007533 /nfs/dbraw/zinc/00/75/33/400007533.db2.gz CEWBSODHGQCRNQ-OAHLLOKOSA-N 1 3 304.434 2.620 20 0 DFADHO C[N@@H+]1CC[C@@H](Nc2cccc(CN3CC[C@@H](O)C3)c2)CC1(C)C ZINC000628288530 400014482 /nfs/dbraw/zinc/01/44/82/400014482.db2.gz NAPRDOVHRIIJCD-QZTJIDSGSA-N 1 3 317.477 2.538 20 0 DFADHO C[N@H+]1CC[C@@H](Nc2cccc(CN3CC[C@@H](O)C3)c2)CC1(C)C ZINC000628288530 400014485 /nfs/dbraw/zinc/01/44/85/400014485.db2.gz NAPRDOVHRIIJCD-QZTJIDSGSA-N 1 3 317.477 2.538 20 0 DFADHO C[C@H](C1CC[NH+](C)CC1)N1CCN(c2cccc(F)c2)CC1 ZINC000631790166 400075138 /nfs/dbraw/zinc/07/51/38/400075138.db2.gz HVHOEWCSVRUJQT-OAHLLOKOSA-N 1 3 305.441 2.678 20 0 DFADHO CSc1ccccc1NC(=O)CC[N@@H+]1CCCCC[C@@H](N)C1 ZINC000631833373 400078449 /nfs/dbraw/zinc/07/84/49/400078449.db2.gz YORCSWTWCOAQKP-CQSZACIVSA-N 1 3 321.490 2.940 20 0 DFADHO CSc1ccccc1NC(=O)CC[N@H+]1CCCCC[C@@H](N)C1 ZINC000631833373 400078450 /nfs/dbraw/zinc/07/84/50/400078450.db2.gz YORCSWTWCOAQKP-CQSZACIVSA-N 1 3 321.490 2.940 20 0 DFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CCCCC[C@@H](N)C1 ZINC000631835091 400078564 /nfs/dbraw/zinc/07/85/64/400078564.db2.gz MHEKWASVQAWJPV-OAHLLOKOSA-N 1 3 319.449 2.617 20 0 DFADHO CCOc1ccccc1NC(=O)CC[N@H+]1CCCCC[C@@H](N)C1 ZINC000631835091 400078565 /nfs/dbraw/zinc/07/85/65/400078565.db2.gz MHEKWASVQAWJPV-OAHLLOKOSA-N 1 3 319.449 2.617 20 0 DFADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000219315253 146000424 /nfs/dbraw/zinc/00/04/24/146000424.db2.gz RYCPLPUHWZLQNE-LBPRGKRZSA-N 1 3 304.356 2.934 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1ccccc1OC(F)F ZINC000234741889 146017640 /nfs/dbraw/zinc/01/76/40/146017640.db2.gz CWNJWYJGTADBBK-NWDGAFQWSA-N 1 3 302.365 2.693 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1ccccc1Br ZINC000234741657 146018010 /nfs/dbraw/zinc/01/80/10/146018010.db2.gz WZIWVDPYRHCEKZ-NWDGAFQWSA-N 1 3 315.255 2.854 20 0 DFADHO CCCC[C@H](N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000236769730 146025554 /nfs/dbraw/zinc/02/55/54/146025554.db2.gz DXUNTXRYHSLJTP-KRWDZBQOSA-N 1 3 309.498 2.619 20 0 DFADHO CCCC[C@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000236769730 146025558 /nfs/dbraw/zinc/02/55/58/146025558.db2.gz DXUNTXRYHSLJTP-KRWDZBQOSA-N 1 3 309.498 2.619 20 0 DFADHO CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000236811086 146028420 /nfs/dbraw/zinc/02/84/20/146028420.db2.gz QIPRJNGYRPPHSZ-KBPBESRZSA-N 1 3 309.479 2.519 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236888861 146031300 /nfs/dbraw/zinc/03/13/00/146031300.db2.gz UAHOPXGORQZKTK-YJBOKZPZSA-N 1 3 317.477 2.662 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236948119 146033035 /nfs/dbraw/zinc/03/30/35/146033035.db2.gz UAHOPXGORQZKTK-QAPCUYQASA-N 1 3 317.477 2.662 20 0 DFADHO C[C@@H](CN[C@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000237445060 146044130 /nfs/dbraw/zinc/04/41/30/146044130.db2.gz AFCQBEKSEJWGIV-ICSRJNTNSA-N 1 3 315.505 2.973 20 0 DFADHO C[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000245204108 146063120 /nfs/dbraw/zinc/06/31/20/146063120.db2.gz YUEDSUYLLCLMNJ-BZUAXINKSA-N 1 3 317.477 2.626 20 0 DFADHO CN1CCC[C@H]1CC[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000245586605 146085871 /nfs/dbraw/zinc/08/58/71/146085871.db2.gz DYISIGCXXRQRDV-OALUTQOASA-N 1 3 302.462 2.804 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000245586605 146085874 /nfs/dbraw/zinc/08/58/74/146085874.db2.gz DYISIGCXXRQRDV-OALUTQOASA-N 1 3 302.462 2.804 20 0 DFADHO CN1CCC[C@H]2C[N@H+](CCC(=O)OCc3ccccc3)CC[C@H]21 ZINC000245603241 146087172 /nfs/dbraw/zinc/08/71/72/146087172.db2.gz GPWJAMYXZMDWQH-ZWKOTPCHSA-N 1 3 316.445 2.536 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](CCC(=O)OCc3ccccc3)CC[C@H]21 ZINC000245603241 146087175 /nfs/dbraw/zinc/08/71/75/146087175.db2.gz GPWJAMYXZMDWQH-ZWKOTPCHSA-N 1 3 316.445 2.536 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)c2sc(CCOC)nc2C)C1 ZINC000245622428 146088934 /nfs/dbraw/zinc/08/89/34/146088934.db2.gz RQYJVYBRSQEGGZ-TZMCWYRMSA-N 1 3 311.495 2.633 20 0 DFADHO O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000249038451 146183610 /nfs/dbraw/zinc/18/36/10/146183610.db2.gz GKESKQXWQQGAHL-CENDIDJXSA-N 1 3 314.473 2.648 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CCN1C ZINC000249158048 146189326 /nfs/dbraw/zinc/18/93/26/146189326.db2.gz XQICSZKVXIJUAK-BHIYHBOVSA-N 1 3 301.478 2.581 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249162782 146189600 /nfs/dbraw/zinc/18/96/00/146189600.db2.gz ZNQLFWZCYAKVGK-IHPCNDPISA-N 1 3 315.505 2.828 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H](C)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695976 146222392 /nfs/dbraw/zinc/22/23/92/146222392.db2.gz AZXZTMMQXRTYOE-LNLFQRSKSA-N 1 3 303.494 2.827 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](C)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695976 146222396 /nfs/dbraw/zinc/22/23/96/146222396.db2.gz AZXZTMMQXRTYOE-LNLFQRSKSA-N 1 3 303.494 2.827 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](C)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695976 146222399 /nfs/dbraw/zinc/22/23/99/146222399.db2.gz AZXZTMMQXRTYOE-LNLFQRSKSA-N 1 3 303.494 2.827 20 0 DFADHO C[N@H+](CCc1ccc(Br)cc1)C[C@@H]1CCCNC1 ZINC000258891451 146236654 /nfs/dbraw/zinc/23/66/54/146236654.db2.gz CQFCVDMOORJGEG-CQSZACIVSA-N 1 3 311.267 2.923 20 0 DFADHO C[N@@H+](CCc1ccc(Br)cc1)C[C@@H]1CCCNC1 ZINC000258891451 146236657 /nfs/dbraw/zinc/23/66/57/146236657.db2.gz CQFCVDMOORJGEG-CQSZACIVSA-N 1 3 311.267 2.923 20 0 DFADHO CN(C[C@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000261539650 146237814 /nfs/dbraw/zinc/23/78/14/146237814.db2.gz CXLNSPIIDSMLBU-OALUTQOASA-N 1 3 301.478 2.582 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261557894 146240864 /nfs/dbraw/zinc/24/08/64/146240864.db2.gz XUNGPLRXHAOUDC-OTWHNJEPSA-N 1 3 301.478 2.758 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261557846 146241090 /nfs/dbraw/zinc/24/10/90/146241090.db2.gz XRWHKRCEIVSMBU-IEBWSBKVSA-N 1 3 301.478 2.758 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261557848 146241311 /nfs/dbraw/zinc/24/13/11/146241311.db2.gz XRWHKRCEIVSMBU-PKOBYXMFSA-N 1 3 301.478 2.758 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](Cc3cccc(N)c3)CC2)C[C@@H](C)O1 ZINC000261616958 146246530 /nfs/dbraw/zinc/24/65/30/146246530.db2.gz BHKHSKZTASBMPU-HZPDHXFCSA-N 1 3 317.477 2.590 20 0 DFADHO C[C@@]1(C[NH3+])CCN(CCC(=O)Nc2cccc3ccccc32)C1 ZINC000261632534 146251046 /nfs/dbraw/zinc/25/10/46/146251046.db2.gz FMQZLYXGTGTTMO-IBGZPJMESA-N 1 3 311.429 2.839 20 0 DFADHO C[C@@]1(CN)CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000261632534 146251050 /nfs/dbraw/zinc/25/10/50/146251050.db2.gz FMQZLYXGTGTTMO-IBGZPJMESA-N 1 3 311.429 2.839 20 0 DFADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000261632534 146251053 /nfs/dbraw/zinc/25/10/53/146251053.db2.gz FMQZLYXGTGTTMO-IBGZPJMESA-N 1 3 311.429 2.839 20 0 DFADHO c1nn(-c2ccccc2)cc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261634046 146251445 /nfs/dbraw/zinc/25/14/45/146251445.db2.gz CJWMHCWEBYCZMR-IBGZPJMESA-N 1 3 310.445 2.836 20 0 DFADHO CN(C[C@]1(C)CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000261732905 146267956 /nfs/dbraw/zinc/26/79/56/146267956.db2.gz HJFCOGVKBXEFAR-RBUKOAKNSA-N 1 3 301.478 2.582 20 0 DFADHO Cc1ccc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261811301 146280268 /nfs/dbraw/zinc/28/02/68/146280268.db2.gz HQJODULEHMZSCD-CVEARBPZSA-N 1 3 312.461 2.955 20 0 DFADHO Cn1cc(-c2ccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)s2)cn1 ZINC000261825360 146283412 /nfs/dbraw/zinc/28/34/12/146283412.db2.gz IRBOFPDDHKSCKN-RCBQFDQVSA-N 1 3 316.474 2.708 20 0 DFADHO Cc1cc2cc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)oc2cc1C ZINC000261827821 146284130 /nfs/dbraw/zinc/28/41/30/146284130.db2.gz AAWQNURWHOQJBN-QGZVFWFLSA-N 1 3 313.445 2.529 20 0 DFADHO c1csc(-c2n[nH]cc2CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261925626 146302906 /nfs/dbraw/zinc/30/29/06/146302906.db2.gz CCEGZWCQZNDWOI-UHFFFAOYSA-N 1 3 302.447 2.714 20 0 DFADHO COc1cccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1OC ZINC000261931500 146304021 /nfs/dbraw/zinc/30/40/21/146304021.db2.gz JOEQGLCKLIINDB-INIZCTEOSA-N 1 3 304.434 2.668 20 0 DFADHO CC[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261954896 146308723 /nfs/dbraw/zinc/30/87/23/146308723.db2.gz OLOLVOMQUFAIRX-MOPGFXCFSA-N 1 3 301.478 2.582 20 0 DFADHO Cc1nc2ccccc2n1C1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261981754 146315228 /nfs/dbraw/zinc/31/52/28/146315228.db2.gz JGEXIUKVCDQVLA-LJQANCHMSA-N 1 3 312.461 2.981 20 0 DFADHO C[NH2+]CCC1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000261990263 146316729 /nfs/dbraw/zinc/31/67/29/146316729.db2.gz LPZTZEMYPMKYEU-SFHVURJKSA-N 1 3 315.461 2.504 20 0 DFADHO Clc1ccc2nc(CN3CCC4(C3)CC[NH2+]CC4)cn2c1 ZINC000261991730 146318045 /nfs/dbraw/zinc/31/80/45/146318045.db2.gz KJLBRUZPHZDIDQ-UHFFFAOYSA-N 1 3 304.825 2.563 20 0 DFADHO COc1ccc2nc(CN3CCC[C@H](CC[NH3+])C3)sc2c1 ZINC000262005161 146320824 /nfs/dbraw/zinc/32/08/24/146320824.db2.gz UNDGBUNMQKZDJQ-GFCCVEGCSA-N 1 3 305.447 2.866 20 0 DFADHO CCC[C@@](C)(N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000262036573 146326233 /nfs/dbraw/zinc/32/62/33/146326233.db2.gz ZTCQJPYKISODOO-QGZVFWFLSA-N 1 3 309.498 2.809 20 0 DFADHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2ccccc2)C[C@H]1c1ccccc1 ZINC000262261200 146347116 /nfs/dbraw/zinc/34/71/16/146347116.db2.gz RFMRGHWXQRYEAL-MJGOQNOKSA-N 1 3 323.440 2.690 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000262351910 146353816 /nfs/dbraw/zinc/35/38/16/146353816.db2.gz VIDXLGRZHRZKSM-FHWLQOOXSA-N 1 3 301.478 2.931 20 0 DFADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCN3CC=CCC3)CC2)C1 ZINC000355510083 147342091 /nfs/dbraw/zinc/34/20/91/147342091.db2.gz HLKFWRGJEADRFR-HKUYNNGSSA-N 1 3 305.510 2.881 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCN3CC=CCC3)CC2)C1 ZINC000355510092 147343516 /nfs/dbraw/zinc/34/35/16/147343516.db2.gz HLKFWRGJEADRFR-IEBWSBKVSA-N 1 3 305.510 2.881 20 0 DFADHO N[C@H]1C[C@H]([NH2+]CCNc2ccc3ccccc3n2)c2ccccc21 ZINC000576744523 543454127 /nfs/dbraw/zinc/45/41/27/543454127.db2.gz PSQBIYXCRVPRCT-HKUYNNGSSA-N 1 3 318.424 3.381 20 0 DFADHO C[NH+](C)CC1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000350145911 286010605 /nfs/dbraw/zinc/01/06/05/286010605.db2.gz JYISKDUJPANDSG-UHFFFAOYSA-N 1 3 304.434 2.622 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000357629167 148063843 /nfs/dbraw/zinc/06/38/43/148063843.db2.gz DLHCAKAKZWVCEQ-JKSUJKDBSA-N 1 3 311.514 2.780 20 0 DFADHO COC[C@H](Cc1ccccc1)NCC(C)(C)C[NH+]1CCCC1 ZINC000357856711 148152148 /nfs/dbraw/zinc/15/21/48/148152148.db2.gz SXXJVCLMWGVPDP-SFHVURJKSA-N 1 3 304.478 2.956 20 0 DFADHO COC[C@H](Cc1ccccc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357856711 148152150 /nfs/dbraw/zinc/15/21/50/148152150.db2.gz SXXJVCLMWGVPDP-SFHVURJKSA-N 1 3 304.478 2.956 20 0 DFADHO CC[C@H](N[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000358012204 148210525 /nfs/dbraw/zinc/21/05/25/148210525.db2.gz HDARLASBVKAQJM-BPUTZDHNSA-N 1 3 304.434 2.839 20 0 DFADHO CC[C@H](N[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000358012204 148210528 /nfs/dbraw/zinc/21/05/28/148210528.db2.gz HDARLASBVKAQJM-BPUTZDHNSA-N 1 3 304.434 2.839 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCC(C(N)=O)CC3)CC2)C1 ZINC000358185307 148276016 /nfs/dbraw/zinc/27/60/16/148276016.db2.gz YHKLISFTWMQEJC-IDMDMSBLSA-N 1 3 321.509 2.663 20 0 DFADHO COc1cccc(COCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000358221577 148290767 /nfs/dbraw/zinc/29/07/67/148290767.db2.gz GYKHDYOKWPZLTJ-HDMKZQKVSA-N 1 3 306.450 2.530 20 0 DFADHO COc1cccc(COCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000358221577 148290774 /nfs/dbraw/zinc/29/07/74/148290774.db2.gz GYKHDYOKWPZLTJ-HDMKZQKVSA-N 1 3 306.450 2.530 20 0 DFADHO C[N@@H+]1CC[C@@](O)(CN[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000358247062 148301490 /nfs/dbraw/zinc/30/14/90/148301490.db2.gz HKNIYCHDYMSUSB-QZTJIDSGSA-N 1 3 306.425 2.713 20 0 DFADHO C[N@H+]1CC[C@@](O)(CN[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000358247062 148301495 /nfs/dbraw/zinc/30/14/95/148301495.db2.gz HKNIYCHDYMSUSB-QZTJIDSGSA-N 1 3 306.425 2.713 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(CCc2ccc(OC)cc2)C1 ZINC000350364899 286032333 /nfs/dbraw/zinc/03/23/33/286032333.db2.gz KAVSUOQSICJJOO-IBGZPJMESA-N 1 3 320.477 2.670 20 0 DFADHO C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358503803 148380384 /nfs/dbraw/zinc/38/03/84/148380384.db2.gz FQHOLWUPPYTVJH-CYBMUJFWSA-N 1 3 321.852 2.743 20 0 DFADHO Fc1ccccc1N1CC[C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000361009706 149007109 /nfs/dbraw/zinc/00/71/09/149007109.db2.gz MHEQKKFHDQGOLT-IKGGRYGDSA-N 1 3 317.452 2.868 20 0 DFADHO Fc1ccccc1N1CC[C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000361009706 149007112 /nfs/dbraw/zinc/00/71/12/149007112.db2.gz MHEQKKFHDQGOLT-IKGGRYGDSA-N 1 3 317.452 2.868 20 0 DFADHO Fc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000361009706 149007115 /nfs/dbraw/zinc/00/71/15/149007115.db2.gz MHEQKKFHDQGOLT-IKGGRYGDSA-N 1 3 317.452 2.868 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNCC2(C)CC[NH+](C)CC2)c1 ZINC000361022381 149009862 /nfs/dbraw/zinc/00/98/62/149009862.db2.gz FTQYOFQYVQDTKB-UHFFFAOYSA-N 1 3 324.852 2.948 20 0 DFADHO [NH2+]=C(NC[C@H]1CCCN(Cc2ccccc2)C1)Nc1ccccn1 ZINC000361803756 149224068 /nfs/dbraw/zinc/22/40/68/149224068.db2.gz LPAURJZVWBNRMZ-QGZVFWFLSA-N 1 3 323.444 2.930 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000362681459 149341550 /nfs/dbraw/zinc/34/15/50/149341550.db2.gz POAASIAHSQYTRV-INIZCTEOSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000362681459 149341552 /nfs/dbraw/zinc/34/15/52/149341552.db2.gz POAASIAHSQYTRV-INIZCTEOSA-N 1 3 317.477 2.598 20 0 DFADHO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)s1 ZINC000362703049 149345403 /nfs/dbraw/zinc/34/54/03/149345403.db2.gz PEKNECFFUDHLNB-KBXCAEBGSA-N 1 3 321.534 2.823 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000362764069 149360767 /nfs/dbraw/zinc/36/07/67/149360767.db2.gz YTEOLCQZMZNUNM-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000362764069 149360769 /nfs/dbraw/zinc/36/07/69/149360769.db2.gz YTEOLCQZMZNUNM-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(OCC(F)(F)F)c3)C[C@@H]12 ZINC000351472248 286128619 /nfs/dbraw/zinc/12/86/19/286128619.db2.gz AHTUXBPBOLYIDR-BPLDGKMQSA-N 1 3 314.351 2.797 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(OCc4ccncc4)cc3)C[C@@H]12 ZINC000351472897 286128830 /nfs/dbraw/zinc/12/88/30/286128830.db2.gz BSZYQOKCXGUDMX-DFQSSKMNSA-N 1 3 323.440 2.830 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OCc4ccccn4)cc3)C[C@@H]12 ZINC000351472617 286128963 /nfs/dbraw/zinc/12/89/63/286128963.db2.gz BERNSEDTYUPQIG-NSISKUIASA-N 1 3 323.440 2.830 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(CCOc3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000351482073 286131573 /nfs/dbraw/zinc/13/15/73/286131573.db2.gz YOLREOCMDOQHMQ-NILFDRSVSA-N 1 3 314.351 2.753 20 0 DFADHO C[N@H+](C[C@H](O)CN(Cc1ccccc1)CC1CCC1)C1CC1 ZINC000351444108 286126400 /nfs/dbraw/zinc/12/64/00/286126400.db2.gz OVGBRCWWNRCPCO-IBGZPJMESA-N 1 3 302.462 2.744 20 0 DFADHO C[N@@H+](C[C@H](O)CN(Cc1ccccc1)CC1CCC1)C1CC1 ZINC000351444108 286126401 /nfs/dbraw/zinc/12/64/01/286126401.db2.gz OVGBRCWWNRCPCO-IBGZPJMESA-N 1 3 302.462 2.744 20 0 DFADHO C[N@H+](C[C@@H](O)CN(Cc1ccccc1)CC1CCC1)C1CC1 ZINC000351444112 286126514 /nfs/dbraw/zinc/12/65/14/286126514.db2.gz OVGBRCWWNRCPCO-LJQANCHMSA-N 1 3 302.462 2.744 20 0 DFADHO C[N@@H+](C[C@@H](O)CN(Cc1ccccc1)CC1CCC1)C1CC1 ZINC000351444112 286126518 /nfs/dbraw/zinc/12/65/18/286126518.db2.gz OVGBRCWWNRCPCO-LJQANCHMSA-N 1 3 302.462 2.744 20 0 DFADHO CCN1CCN([C@@H]2CC[N@H+](Cc3cc(C)cc(Cl)c3)C2)CC1 ZINC000351446555 286126886 /nfs/dbraw/zinc/12/68/86/286126886.db2.gz ASLFGPLVULTLOF-GOSISDBHSA-N 1 3 321.896 2.860 20 0 DFADHO CCN1CCN([C@@H]2CC[N@@H+](Cc3cc(C)cc(Cl)c3)C2)CC1 ZINC000351446555 286126887 /nfs/dbraw/zinc/12/68/87/286126887.db2.gz ASLFGPLVULTLOF-GOSISDBHSA-N 1 3 321.896 2.860 20 0 DFADHO C[N@H+](C[C@@H](O)CN1CCCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000351493282 286134712 /nfs/dbraw/zinc/13/47/12/286134712.db2.gz VFPPJOVIDRKTLQ-RTBURBONSA-N 1 3 302.462 2.539 20 0 DFADHO C[N@@H+](C[C@@H](O)CN1CCCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000351493282 286134715 /nfs/dbraw/zinc/13/47/15/286134715.db2.gz VFPPJOVIDRKTLQ-RTBURBONSA-N 1 3 302.462 2.539 20 0 DFADHO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000351519221 286141354 /nfs/dbraw/zinc/14/13/54/286141354.db2.gz ODMJTPWRALMFCS-MNEFBYGVSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000351519221 286141356 /nfs/dbraw/zinc/14/13/56/286141356.db2.gz ODMJTPWRALMFCS-MNEFBYGVSA-N 1 3 302.462 2.567 20 0 DFADHO CC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccs1 ZINC000370633501 149958626 /nfs/dbraw/zinc/95/86/26/149958626.db2.gz HHQRNGNBQPBDIN-GDBMZVCRSA-N 1 3 307.507 2.957 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000371569944 150066797 /nfs/dbraw/zinc/06/67/97/150066797.db2.gz CKCDPWZIZHUFTD-OAHLLOKOSA-N 1 3 322.522 2.822 20 0 DFADHO C[N@H+](C[C@@H](O)CN[C@@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000351571689 286157247 /nfs/dbraw/zinc/15/72/47/286157247.db2.gz AVKXVJIWHPXFJX-OALUTQOASA-N 1 3 302.462 2.963 20 0 DFADHO C[N@@H+](C[C@@H](O)CN[C@@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000351571689 286157248 /nfs/dbraw/zinc/15/72/48/286157248.db2.gz AVKXVJIWHPXFJX-OALUTQOASA-N 1 3 302.462 2.963 20 0 DFADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000371869238 150106280 /nfs/dbraw/zinc/10/62/80/150106280.db2.gz FKLLJJQHLRWUHE-SFHVURJKSA-N 1 3 305.510 2.692 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2CCc2ccccc2)CCN1C ZINC000372060085 150131131 /nfs/dbraw/zinc/13/11/31/150131131.db2.gz OUIVEBJLMIKVFL-HOJAQTOUSA-N 1 3 315.505 2.766 20 0 DFADHO CN(CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C)Cc1ccc(F)cc1 ZINC000372357554 150166634 /nfs/dbraw/zinc/16/66/34/150166634.db2.gz PTJHYSLTDGBHSL-MOPGFXCFSA-N 1 3 319.468 2.816 20 0 DFADHO CN(CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C)Cc1ccc(F)cc1 ZINC000372357554 150166636 /nfs/dbraw/zinc/16/66/36/150166636.db2.gz PTJHYSLTDGBHSL-MOPGFXCFSA-N 1 3 319.468 2.816 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000372904314 150199622 /nfs/dbraw/zinc/19/96/22/150199622.db2.gz JLJHZFPISRZIRB-HNNXBMFYSA-N 1 3 303.450 2.775 20 0 DFADHO C[C@H](CCN1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000373912656 150277258 /nfs/dbraw/zinc/27/72/58/150277258.db2.gz QMEKZUMRJYOCAL-QUCCMNQESA-N 1 3 315.505 2.892 20 0 DFADHO C[C@H](CCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000373912656 150277260 /nfs/dbraw/zinc/27/72/60/150277260.db2.gz QMEKZUMRJYOCAL-QUCCMNQESA-N 1 3 315.505 2.892 20 0 DFADHO C[N@H+](C[C@H]1CC12CCN(CCOCC(F)(F)F)CC2)C1CC1 ZINC000374298138 150339840 /nfs/dbraw/zinc/33/98/40/150339840.db2.gz UARKGAPNRLNHIK-CYBMUJFWSA-N 1 3 320.399 2.762 20 0 DFADHO C[N@@H+](C[C@H]1CC12CCN(CCOCC(F)(F)F)CC2)C1CC1 ZINC000374298138 150339845 /nfs/dbraw/zinc/33/98/45/150339845.db2.gz UARKGAPNRLNHIK-CYBMUJFWSA-N 1 3 320.399 2.762 20 0 DFADHO CCN(CCC[NH+](CC)CC)C(=O)c1cccc(CN(C)C)c1 ZINC000351809869 286223862 /nfs/dbraw/zinc/22/38/62/286223862.db2.gz NHDIMRATGGQBDX-UHFFFAOYSA-N 1 3 319.493 2.942 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCN(CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000351862786 286233982 /nfs/dbraw/zinc/23/39/82/286233982.db2.gz QOHSWLBWQQXNEN-VXGBXAGGSA-N 1 3 318.339 2.633 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCN(CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000351862785 286233998 /nfs/dbraw/zinc/23/39/98/286233998.db2.gz QOHSWLBWQQXNEN-RYUDHWBXSA-N 1 3 318.339 2.633 20 0 DFADHO C[C@@H]1CC[C@H](c2ccccc2)N(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000352115679 286296339 /nfs/dbraw/zinc/29/63/39/286296339.db2.gz NLYUYNONRPPFLV-ATZDWAIDSA-N 1 3 302.462 2.915 20 0 DFADHO C[C@@H]1CC[C@H](c2ccccc2)N(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352115679 286296340 /nfs/dbraw/zinc/29/63/40/286296340.db2.gz NLYUYNONRPPFLV-ATZDWAIDSA-N 1 3 302.462 2.915 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000352349921 286350034 /nfs/dbraw/zinc/35/00/34/286350034.db2.gz IIZIQDMFUUGKNH-SJLPKXTDSA-N 1 3 319.493 2.790 20 0 DFADHO FC(F)Cn1cc(CNCCCCC[NH+]2CCCCC2)cn1 ZINC000352394124 286362563 /nfs/dbraw/zinc/36/25/63/286362563.db2.gz IZSPWDVJQNLMEK-UHFFFAOYSA-N 1 3 314.424 2.894 20 0 DFADHO [NH3+]CC[C@H]1CCCCN1CCCc1nc(-c2ccccc2)no1 ZINC000352504849 286391520 /nfs/dbraw/zinc/39/15/20/286391520.db2.gz VKFSIURTFDNXKD-MRXNPFEDSA-N 1 3 314.433 2.873 20 0 DFADHO Cc1[nH]nc2ncc(CN(CCC[NH3+])CC3CCCC3)cc12 ZINC000352526666 286398293 /nfs/dbraw/zinc/39/82/93/286398293.db2.gz QJYZYHYHXPAXAQ-UHFFFAOYSA-N 1 3 301.438 2.607 20 0 DFADHO C[C@@H]1C[C@H](C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000352713390 286448771 /nfs/dbraw/zinc/44/87/71/286448771.db2.gz DDRCBIPJYQQRNI-VUHPKUFZSA-N 1 3 324.509 2.623 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000352968311 286515656 /nfs/dbraw/zinc/51/56/56/286515656.db2.gz ORLCAOMIDOGFFG-IAGOWNOFSA-N 1 3 309.498 2.630 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353227690 286584611 /nfs/dbraw/zinc/58/46/11/286584611.db2.gz BQLGGGHFWSKAMH-HNNXBMFYSA-N 1 3 317.468 2.818 20 0 DFADHO CN(C)Cc1cccc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000429352611 296744701 /nfs/dbraw/zinc/74/47/01/296744701.db2.gz IWAGBGCBVBXFOS-UHFFFAOYSA-N 1 3 309.413 2.646 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000245951859 158082275 /nfs/dbraw/zinc/08/22/75/158082275.db2.gz WNPDFAMKCRACET-AQMVCYDESA-N 1 3 310.388 2.867 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000245951859 158082277 /nfs/dbraw/zinc/08/22/77/158082277.db2.gz WNPDFAMKCRACET-AQMVCYDESA-N 1 3 310.388 2.867 20 0 DFADHO Cc1ncsc1CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246836746 158102170 /nfs/dbraw/zinc/10/21/70/158102170.db2.gz OMENHNSESDFHCT-GOEBONIOSA-N 1 3 305.491 2.943 20 0 DFADHO Cc1ncsc1CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246836746 158102171 /nfs/dbraw/zinc/10/21/71/158102171.db2.gz OMENHNSESDFHCT-GOEBONIOSA-N 1 3 305.491 2.943 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@@H](C)C1 ZINC000247068799 158118332 /nfs/dbraw/zinc/11/83/32/158118332.db2.gz QAJDRPQYVZXXAB-YOEHRIQHSA-N 1 3 303.450 2.690 20 0 DFADHO C[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000247427853 158134992 /nfs/dbraw/zinc/13/49/92/158134992.db2.gz LPOJTNOMVSLQFH-IXDOHACOSA-N 1 3 321.509 2.582 20 0 DFADHO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000247930224 158152015 /nfs/dbraw/zinc/15/20/15/158152015.db2.gz BXTLMLQNYSAWSD-HDMKZQKVSA-N 1 3 308.466 2.685 20 0 DFADHO COc1ccc(OCCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248149430 158162952 /nfs/dbraw/zinc/16/29/52/158162952.db2.gz QOOKXQYMRZFHIO-QFBILLFUSA-N 1 3 318.461 2.880 20 0 DFADHO COc1ccc(OCCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248149430 158162953 /nfs/dbraw/zinc/16/29/53/158162953.db2.gz QOOKXQYMRZFHIO-QFBILLFUSA-N 1 3 318.461 2.880 20 0 DFADHO COc1ccc(OCCC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000248149430 158162955 /nfs/dbraw/zinc/16/29/55/158162955.db2.gz QOOKXQYMRZFHIO-QFBILLFUSA-N 1 3 318.461 2.880 20 0 DFADHO COc1ccc(OCCC[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000248149430 158162957 /nfs/dbraw/zinc/16/29/57/158162957.db2.gz QOOKXQYMRZFHIO-QFBILLFUSA-N 1 3 318.461 2.880 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)CCN1C ZINC000248198532 158164612 /nfs/dbraw/zinc/16/46/12/158164612.db2.gz XVZXXVMGTVPMBD-NZSAHSFTSA-N 1 3 301.478 2.723 20 0 DFADHO c1cn(CC[NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000248410563 158174033 /nfs/dbraw/zinc/17/40/33/158174033.db2.gz YDMPTQOCRNZBNN-UFYCRDLUSA-N 1 3 324.472 2.773 20 0 DFADHO CCc1cccc(F)c1C[NH2+]CCCN1CCN(CC)CC1 ZINC000354589504 158234635 /nfs/dbraw/zinc/23/46/35/158234635.db2.gz YYKLEUZOMUECEY-UHFFFAOYSA-N 1 3 307.457 2.505 20 0 DFADHO CC[N@H+](CCC1CC1)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000355034701 158257295 /nfs/dbraw/zinc/25/72/95/158257295.db2.gz FRLYFAOXGUYGIS-GOSISDBHSA-N 1 3 317.477 2.528 20 0 DFADHO CC[N@@H+](CCC1CC1)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000355034701 158257298 /nfs/dbraw/zinc/25/72/98/158257298.db2.gz FRLYFAOXGUYGIS-GOSISDBHSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@H]1CCCOC1 ZINC000356870812 158317261 /nfs/dbraw/zinc/31/72/61/158317261.db2.gz OMRNPAOXSJWJTQ-AEFFLSMTSA-N 1 3 320.477 2.574 20 0 DFADHO CCc1ccc(NC(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358508020 158383527 /nfs/dbraw/zinc/38/35/27/158383527.db2.gz NYLVYVYJNBOQGW-OAHLLOKOSA-N 1 3 315.461 2.652 20 0 DFADHO CCCN(C)CC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000358589782 158391413 /nfs/dbraw/zinc/39/14/13/158391413.db2.gz KVJKOOWYMKINLE-HNNXBMFYSA-N 1 3 311.495 2.589 20 0 DFADHO CCC[N@H+](C)CC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000358589782 158391415 /nfs/dbraw/zinc/39/14/15/158391415.db2.gz KVJKOOWYMKINLE-HNNXBMFYSA-N 1 3 311.495 2.589 20 0 DFADHO CCC[N@@H+](C)CC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000358589782 158391418 /nfs/dbraw/zinc/39/14/18/158391418.db2.gz KVJKOOWYMKINLE-HNNXBMFYSA-N 1 3 311.495 2.589 20 0 DFADHO CC(C)CC[NH+]1CCC(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000431569278 296840503 /nfs/dbraw/zinc/84/05/03/296840503.db2.gz HCMVMIGWVXXGBL-IRXDYDNUSA-N 1 3 323.525 2.734 20 0 DFADHO CC[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261892531 287199993 /nfs/dbraw/zinc/19/99/93/287199993.db2.gz UEJLUGIUWXMUPT-RTBURBONSA-N 1 3 301.478 2.582 20 0 DFADHO CCN(CC)CCC[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000131405429 196165787 /nfs/dbraw/zinc/16/57/87/196165787.db2.gz LXWFXFQAYYDHKT-UHFFFAOYSA-N 1 3 310.511 2.742 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@H](C)C1 ZINC000131310934 196159140 /nfs/dbraw/zinc/15/91/40/196159140.db2.gz QAJDRPQYVZXXAB-PBHICJAKSA-N 1 3 303.450 2.690 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)N(C)C ZINC000131605655 196183347 /nfs/dbraw/zinc/18/33/47/196183347.db2.gz PGSBRMBXXDZTPM-MSOLQXFVSA-N 1 3 323.525 2.543 20 0 DFADHO C[NH2+]Cc1ccc(NC(=O)N2CCCN(C(C)(C)C)CC2)cc1 ZINC000667843225 543690216 /nfs/dbraw/zinc/69/02/16/543690216.db2.gz GMCRYFZFPVFEMC-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792567 543680252 /nfs/dbraw/zinc/68/02/52/543680252.db2.gz CSOVFVJTUHGBPA-SJLPKXTDSA-N 1 3 320.477 2.574 20 0 DFADHO CC[N@@H+]1CC[C@H](CN[C@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792567 543680255 /nfs/dbraw/zinc/68/02/55/543680255.db2.gz CSOVFVJTUHGBPA-SJLPKXTDSA-N 1 3 320.477 2.574 20 0 DFADHO CC[N@H+]1CC[C@H](CN[C@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792567 543680258 /nfs/dbraw/zinc/68/02/58/543680258.db2.gz CSOVFVJTUHGBPA-SJLPKXTDSA-N 1 3 320.477 2.574 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)C1 ZINC000668489010 543814074 /nfs/dbraw/zinc/81/40/74/543814074.db2.gz JBPZBOJLFPTPRG-XWSJACJDSA-N 1 3 300.446 2.531 20 0 DFADHO C[C@H](Cc1ccccc1)CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784679 543866879 /nfs/dbraw/zinc/86/68/79/543866879.db2.gz HNFBHSBZEUMTIR-MJGOQNOKSA-N 1 3 304.478 2.908 20 0 DFADHO CCn1ccnc1[C@H](C)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000296664446 226101589 /nfs/dbraw/zinc/10/15/89/226101589.db2.gz FLZWRJIYFSPHPI-HNNXBMFYSA-N 1 3 313.449 2.865 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+]C3CCC(C(F)F)CC3)C2)CC1 ZINC000669614808 543975692 /nfs/dbraw/zinc/97/56/92/543975692.db2.gz HLKBPQPCSRLCRG-YMAMQOFZSA-N 1 3 315.452 2.568 20 0 DFADHO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000669618792 543976268 /nfs/dbraw/zinc/97/62/68/543976268.db2.gz PMTDOSAQLWKOJF-APWZRJJASA-N 1 3 315.505 2.926 20 0 DFADHO C[C@@H](CCCCO)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000671302457 544066128 /nfs/dbraw/zinc/06/61/28/544066128.db2.gz AFDDRYNKVZVARF-INIZCTEOSA-N 1 3 320.477 2.800 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000671309022 544066823 /nfs/dbraw/zinc/06/68/23/544066823.db2.gz GDUPGUBRDSBKKK-OALUTQOASA-N 1 3 318.461 2.770 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000671309022 544066825 /nfs/dbraw/zinc/06/68/25/544066825.db2.gz GDUPGUBRDSBKKK-OALUTQOASA-N 1 3 318.461 2.770 20 0 DFADHO CCCN1CCC([N@H+](C)[C@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000671467459 544077112 /nfs/dbraw/zinc/07/71/12/544077112.db2.gz UXKKLAMIOMGDCC-ZWKOTPCHSA-N 1 3 303.450 2.718 20 0 DFADHO CCCN1CCC([N@@H+](C)[C@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000671467459 544077114 /nfs/dbraw/zinc/07/71/14/544077114.db2.gz UXKKLAMIOMGDCC-ZWKOTPCHSA-N 1 3 303.450 2.718 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@@]3(CCN([C@H]4CCCOC4)C3)C2)cc1 ZINC000671723618 544102185 /nfs/dbraw/zinc/10/21/85/544102185.db2.gz PATLCQQXLIKGTR-RBUKOAKNSA-N 1 3 300.446 2.763 20 0 DFADHO c1ccc(C[N@H+]2CC[C@@]3(CCN([C@H]4CCCOC4)C3)C2)cc1 ZINC000671723618 544102187 /nfs/dbraw/zinc/10/21/87/544102187.db2.gz PATLCQQXLIKGTR-RBUKOAKNSA-N 1 3 300.446 2.763 20 0 DFADHO OCC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000297343470 227035896 /nfs/dbraw/zinc/03/58/96/227035896.db2.gz DUBDUWOOEJMVQL-IBGZPJMESA-N 1 3 317.477 2.971 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)C1CCCC1 ZINC000674087748 544219186 /nfs/dbraw/zinc/21/91/86/544219186.db2.gz AIUKIBXDWMCJSM-AEFFLSMTSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)C1CCCC1 ZINC000674087748 544219189 /nfs/dbraw/zinc/21/91/89/544219189.db2.gz AIUKIBXDWMCJSM-AEFFLSMTSA-N 1 3 323.525 2.687 20 0 DFADHO Cc1nccc([C@@H]2CCC[N@@H+](CC[C@@H]3CCCCN3C)C2)n1 ZINC000675492839 544315552 /nfs/dbraw/zinc/31/55/52/544315552.db2.gz GNNORRIFVHCRSM-SJORKVTESA-N 1 3 302.466 2.839 20 0 DFADHO Cc1nccc([C@@H]2CCC[N@H+](CC[C@@H]3CCCCN3C)C2)n1 ZINC000675492839 544315555 /nfs/dbraw/zinc/31/55/55/544315555.db2.gz GNNORRIFVHCRSM-SJORKVTESA-N 1 3 302.466 2.839 20 0 DFADHO CC[C@H](N[C@H](C)C1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000675804517 544337796 /nfs/dbraw/zinc/33/77/96/544337796.db2.gz BGGZFODUGYIPIB-ZBFHGGJFSA-N 1 3 319.497 2.776 20 0 DFADHO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000676571141 544386307 /nfs/dbraw/zinc/38/63/07/544386307.db2.gz AMIGIJKMGUNWDU-AEFFLSMTSA-N 1 3 306.450 2.674 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+](CCO)C2CCCCC2)cc1 ZINC000676414661 544375874 /nfs/dbraw/zinc/37/58/74/544375874.db2.gz VLRHRQFSDZQQAT-UHFFFAOYSA-N 1 3 320.477 2.754 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+](CCO)C2CCCCC2)cc1 ZINC000676414661 544375876 /nfs/dbraw/zinc/37/58/76/544375876.db2.gz VLRHRQFSDZQQAT-UHFFFAOYSA-N 1 3 320.477 2.754 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000678135926 544607631 /nfs/dbraw/zinc/60/76/31/544607631.db2.gz KHFSIDMNLYWCIT-KRWDZBQOSA-N 1 3 318.461 2.628 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000678135926 544607634 /nfs/dbraw/zinc/60/76/34/544607634.db2.gz KHFSIDMNLYWCIT-KRWDZBQOSA-N 1 3 318.461 2.628 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000678333596 544652640 /nfs/dbraw/zinc/65/26/40/544652640.db2.gz DRESFXLZYPSFRD-PKOBYXMFSA-N 1 3 318.461 2.628 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000678333596 544652642 /nfs/dbraw/zinc/65/26/42/544652642.db2.gz DRESFXLZYPSFRD-PKOBYXMFSA-N 1 3 318.461 2.628 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000678766116 544717325 /nfs/dbraw/zinc/71/73/25/544717325.db2.gz MBSSGEXYHYQVOR-FXAWDEMLSA-N 1 3 315.505 2.927 20 0 DFADHO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000678768615 544717763 /nfs/dbraw/zinc/71/77/63/544717763.db2.gz DHOPXEIFLXJQQV-YLJYHZDGSA-N 1 3 315.505 2.927 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)cc1 ZINC000679359348 544841575 /nfs/dbraw/zinc/84/15/75/544841575.db2.gz BQUUDESOYIOEMI-IEBWSBKVSA-N 1 3 320.477 2.610 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)cc1 ZINC000679359348 544841577 /nfs/dbraw/zinc/84/15/77/544841577.db2.gz BQUUDESOYIOEMI-IEBWSBKVSA-N 1 3 320.477 2.610 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC000679359350 544841839 /nfs/dbraw/zinc/84/18/39/544841839.db2.gz BQUUDESOYIOEMI-PKOBYXMFSA-N 1 3 320.477 2.610 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC000679359350 544841842 /nfs/dbraw/zinc/84/18/42/544841842.db2.gz BQUUDESOYIOEMI-PKOBYXMFSA-N 1 3 320.477 2.610 20 0 DFADHO CCOCCN(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679423153 544852346 /nfs/dbraw/zinc/85/23/46/544852346.db2.gz MWTYOEYXXYWMIA-UHFFFAOYSA-N 1 3 306.450 2.630 20 0 DFADHO CN(C)CCOC1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000679987321 544938706 /nfs/dbraw/zinc/93/87/06/544938706.db2.gz DFWUGDNPTSAEQY-UHFFFAOYSA-N 1 3 313.445 2.777 20 0 DFADHO COc1ccc2c(c1)CC[C@H](N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000680333510 544992372 /nfs/dbraw/zinc/99/23/72/544992372.db2.gz CSUGFWDWAUEKRU-RCCFBDPRSA-N 1 3 300.446 2.769 20 0 DFADHO COc1ccc2c(c1)CC[C@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000680333510 544992374 /nfs/dbraw/zinc/99/23/74/544992374.db2.gz CSUGFWDWAUEKRU-RCCFBDPRSA-N 1 3 300.446 2.769 20 0 DFADHO COc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCN3CCC[C@@H]3C1)C2 ZINC000680333510 544992377 /nfs/dbraw/zinc/99/23/77/544992377.db2.gz CSUGFWDWAUEKRU-RCCFBDPRSA-N 1 3 300.446 2.769 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(F)cc2F)C[C@H](C)O1 ZINC000067452981 425910621 /nfs/dbraw/zinc/91/06/21/425910621.db2.gz MXSMDKVVEOOGEA-OKILXGFUSA-N 1 3 312.404 2.944 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(C(C)(C)C)c2)C[C@H](C)O1 ZINC000067452594 425910652 /nfs/dbraw/zinc/91/06/52/425910652.db2.gz HOAQWUAORLWLQL-IYBDPMFKSA-N 1 3 322.497 2.617 20 0 DFADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000102757565 425927140 /nfs/dbraw/zinc/92/71/40/425927140.db2.gz NBVMRXFQADESPX-KRWDZBQOSA-N 1 3 303.450 2.604 20 0 DFADHO CC1CCN(CCC[NH2+]Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000042909355 425853738 /nfs/dbraw/zinc/85/37/38/425853738.db2.gz WGCURQGPUUTPPZ-UHFFFAOYSA-N 1 3 313.449 2.683 20 0 DFADHO COc1cccc2c1CC[C@H]([NH2+]C[C@H](C)CN1CCCC1)C2 ZINC000192439646 268036764 /nfs/dbraw/zinc/03/67/64/268036764.db2.gz FOHGIORUVSSXPL-RDJZCZTQSA-N 1 3 302.462 2.874 20 0 DFADHO CC[NH+](CC)CCCC1CCN(Cc2ccnc(N)c2)CC1 ZINC000193544338 268071795 /nfs/dbraw/zinc/07/17/95/268071795.db2.gz ZHCOVARXQMDATR-UHFFFAOYSA-N 1 3 304.482 2.998 20 0 DFADHO CC[NH+]1CCC(NCC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000230950887 268146663 /nfs/dbraw/zinc/14/66/63/268146663.db2.gz OABBGSIGEZSTQR-UHFFFAOYSA-N 1 3 323.481 2.628 20 0 DFADHO CC(C)[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C1CC1 ZINC000124772774 425937953 /nfs/dbraw/zinc/93/79/53/425937953.db2.gz BAATVSJNNAGAMW-GOSISDBHSA-N 1 3 307.526 2.961 20 0 DFADHO c1ccc2c(c1)CCN2CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000321004985 268348648 /nfs/dbraw/zinc/34/86/48/268348648.db2.gz RDXMDBFMWFKFJL-QRVBRYPASA-N 1 3 313.489 2.950 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000333340064 268392759 /nfs/dbraw/zinc/39/27/59/268392759.db2.gz XXJAUKJHMQNUFE-JYYAWHABSA-N 1 3 309.498 2.580 20 0 DFADHO C[N@H+](CCCNC(=O)[C@H](C1CC1)N1CCCC1)C1CCCCC1 ZINC000126004782 426001291 /nfs/dbraw/zinc/00/12/91/426001291.db2.gz XXYDNWPXOVCFDH-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@@H+](CCCNC(=O)[C@H](C1CC1)N1CCCC1)C1CCCCC1 ZINC000126004782 426001293 /nfs/dbraw/zinc/00/12/93/426001293.db2.gz XXYDNWPXOVCFDH-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO CC[N@@H+]1CC[C@@H](NC[C@@H](C)Oc2cccc(OC)c2)[C@H](C)C1 ZINC000125078798 425951876 /nfs/dbraw/zinc/95/18/76/425951876.db2.gz OUZXXSNKXXTTBD-IIDMSEBBSA-N 1 3 306.450 2.782 20 0 DFADHO CC[N@H+]1CC[C@@H](NC[C@@H](C)Oc2cccc(OC)c2)[C@H](C)C1 ZINC000125078798 425951879 /nfs/dbraw/zinc/95/18/79/425951879.db2.gz OUZXXSNKXXTTBD-IIDMSEBBSA-N 1 3 306.450 2.782 20 0 DFADHO c1coc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)c1 ZINC000069749895 425956795 /nfs/dbraw/zinc/95/67/95/425956795.db2.gz OIURSKAXUVUDAS-UHFFFAOYSA-N 1 3 313.445 2.972 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000070174487 425968610 /nfs/dbraw/zinc/96/86/10/425968610.db2.gz YRIHCGOCFSUHCK-STQMWFEESA-N 1 3 309.841 2.728 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)N2CCCN(C3CCCC3)CC2)CC1 ZINC000073880626 426033451 /nfs/dbraw/zinc/03/34/51/426033451.db2.gz PPLBIYFEJNNUQA-UHFFFAOYSA-N 1 3 321.509 2.584 20 0 DFADHO CCC[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC000161996641 426047992 /nfs/dbraw/zinc/04/79/92/426047992.db2.gz LKVNIRAOYMRLOZ-DOTOQJQBSA-N 1 3 319.493 2.962 20 0 DFADHO Fc1ccccc1CN1CCC(C[NH2+]CC2=CCCOC2)CC1 ZINC000127146550 426052896 /nfs/dbraw/zinc/05/28/96/426052896.db2.gz VUYBTJMQEHXPEQ-UHFFFAOYSA-N 1 3 318.436 2.974 20 0 DFADHO CC[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cnn(C)c1 ZINC000162534312 426068452 /nfs/dbraw/zinc/06/84/52/426068452.db2.gz LAVMJAUKTVZONB-SFHVURJKSA-N 1 3 316.449 2.601 20 0 DFADHO CC[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@H]1CCOC1 ZINC000162581318 426069358 /nfs/dbraw/zinc/06/93/58/426069358.db2.gz RDUROMDMZXOFEO-WMZOPIPTSA-N 1 3 306.450 2.532 20 0 DFADHO C[C@H]1C[C@@H](NCCNc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000163086339 426088974 /nfs/dbraw/zinc/08/89/74/426088974.db2.gz YIZCCIODCQVODA-JQWIXIFHSA-N 1 3 317.264 2.873 20 0 DFADHO C[C@H]1C[C@@H](NCCNc2ncc(Cl)cc2Cl)CC[N@H+]1C ZINC000163086339 426088977 /nfs/dbraw/zinc/08/89/77/426088977.db2.gz YIZCCIODCQVODA-JQWIXIFHSA-N 1 3 317.264 2.873 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCc3cnn(C)c3)CC2)C1 ZINC000127858384 426089607 /nfs/dbraw/zinc/08/96/07/426089607.db2.gz PCRVICWZHWGNEA-CRAIPNDOSA-N 1 3 304.482 2.595 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCc3cnn(C)c3)CC2)C1 ZINC000127858384 426089609 /nfs/dbraw/zinc/08/96/09/426089609.db2.gz PCRVICWZHWGNEA-CRAIPNDOSA-N 1 3 304.482 2.595 20 0 DFADHO Cn1cc(CCNC2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000127879277 426091095 /nfs/dbraw/zinc/09/10/95/426091095.db2.gz SGBWSXYVXXHEDR-UHFFFAOYSA-N 1 3 304.482 2.597 20 0 DFADHO Cn1cc(CC[NH2+]C2CCN(CC3CCCCC3)CC2)cn1 ZINC000127879277 426091096 /nfs/dbraw/zinc/09/10/96/426091096.db2.gz SGBWSXYVXXHEDR-UHFFFAOYSA-N 1 3 304.482 2.597 20 0 DFADHO CCN1CC[C@H](C[NH2+]C2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000163216716 426093794 /nfs/dbraw/zinc/09/37/94/426093794.db2.gz HDAFRKZDZSGOFX-QGZVFWFLSA-N 1 3 319.468 2.722 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)C1 ZINC000163296351 426096244 /nfs/dbraw/zinc/09/62/44/426096244.db2.gz NSEHILAPXJJMRU-JKSUJKDBSA-N 1 3 315.461 2.806 20 0 DFADHO CC(C)NC(=O)Nc1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000128022766 426097913 /nfs/dbraw/zinc/09/79/13/426097913.db2.gz FTNOUPSNVMSOQX-YOEHRIQHSA-N 1 3 318.465 2.646 20 0 DFADHO CC(C)NC(=O)Nc1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000128022766 426097916 /nfs/dbraw/zinc/09/79/16/426097916.db2.gz FTNOUPSNVMSOQX-YOEHRIQHSA-N 1 3 318.465 2.646 20 0 DFADHO C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163830806 426109539 /nfs/dbraw/zinc/10/95/39/426109539.db2.gz JIRWXQQJIQEBMX-CABCVRRESA-N 1 3 316.449 2.772 20 0 DFADHO CC[N@@H+]1CC[C@H](NCC(C)(C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000164082278 426111868 /nfs/dbraw/zinc/11/18/68/426111868.db2.gz AYHHDINUKGWZQJ-KGLIPLIRSA-N 1 3 313.486 2.610 20 0 DFADHO CC[N@H+]1CC[C@H](NCC(C)(C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000164082278 426111872 /nfs/dbraw/zinc/11/18/72/426111872.db2.gz AYHHDINUKGWZQJ-KGLIPLIRSA-N 1 3 313.486 2.610 20 0 DFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCCN3)cc2)C1 ZINC000164571471 426115509 /nfs/dbraw/zinc/11/55/09/426115509.db2.gz BBYCLUNQXBPGKC-CRAIPNDOSA-N 1 3 315.461 2.999 20 0 DFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCCCN3)cc2)C1 ZINC000164571471 426115512 /nfs/dbraw/zinc/11/55/12/426115512.db2.gz BBYCLUNQXBPGKC-CRAIPNDOSA-N 1 3 315.461 2.999 20 0 DFADHO CC[C@H](N)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000164840706 426118121 /nfs/dbraw/zinc/11/81/21/426118121.db2.gz RRKSAPWGIXHVFE-RKVPGOIHSA-N 1 3 317.477 2.518 20 0 DFADHO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000165135080 426120324 /nfs/dbraw/zinc/12/03/24/426120324.db2.gz HLJWOFGOUQKOBG-HZPDHXFCSA-N 1 3 301.434 2.738 20 0 DFADHO C[N@H+](Cc1ccccc1CNC(=O)C(C)(C)N)C1CCCCC1 ZINC000165882161 426124806 /nfs/dbraw/zinc/12/48/06/426124806.db2.gz PZRIURBFGXHVFN-UHFFFAOYSA-N 1 3 317.477 2.805 20 0 DFADHO C[N@@H+](Cc1ccccc1CNC(=O)C(C)(C)N)C1CCCCC1 ZINC000165882161 426124809 /nfs/dbraw/zinc/12/48/09/426124809.db2.gz PZRIURBFGXHVFN-UHFFFAOYSA-N 1 3 317.477 2.805 20 0 DFADHO COCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000167635372 426133199 /nfs/dbraw/zinc/13/31/99/426133199.db2.gz GBOUKCCCKFIMDE-XYJFISCASA-N 1 3 320.477 2.839 20 0 DFADHO CCN1CC[C@@H]([NH2+]CCCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000162743969 426074894 /nfs/dbraw/zinc/07/48/94/426074894.db2.gz PYTUJFAAPAAOBP-IEBWSBKVSA-N 1 3 303.494 2.828 20 0 DFADHO CCN1CC[C@H]([NH2+]CCCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000162743868 426075028 /nfs/dbraw/zinc/07/50/28/426075028.db2.gz PYTUJFAAPAAOBP-MJGOQNOKSA-N 1 3 303.494 2.828 20 0 DFADHO CCCCOC(=O)CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134939037 426200883 /nfs/dbraw/zinc/20/08/83/426200883.db2.gz AYPORONZUKWLSP-WBVHZDCISA-N 1 3 308.466 2.669 20 0 DFADHO CCCCOC(=O)CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134939037 426200885 /nfs/dbraw/zinc/20/08/85/426200885.db2.gz AYPORONZUKWLSP-WBVHZDCISA-N 1 3 308.466 2.669 20 0 DFADHO CCC(CC)CN(CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114562462 426139086 /nfs/dbraw/zinc/13/90/86/426139086.db2.gz YXOVIJJWJXOTDG-UHFFFAOYSA-N 1 3 311.514 2.734 20 0 DFADHO CN(CCCO)C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000115548910 426167811 /nfs/dbraw/zinc/16/78/11/426167811.db2.gz DPVIZEMKUFRUKD-IBGZPJMESA-N 1 3 302.462 2.843 20 0 DFADHO CC[C@@]1(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CCC[NH2+]1 ZINC000134595374 426190053 /nfs/dbraw/zinc/19/00/53/426190053.db2.gz FLWXGMCIKIHNQI-BEFAXECRSA-N 1 3 317.477 2.764 20 0 DFADHO CN(CCC(=O)Nc1ccccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000118842420 426248029 /nfs/dbraw/zinc/24/80/29/426248029.db2.gz LLFCEQWENKDDKI-AWEZNQCLSA-N 1 3 323.868 2.942 20 0 DFADHO CN(CCC(=O)Nc1ccccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842420 426248033 /nfs/dbraw/zinc/24/80/33/426248033.db2.gz LLFCEQWENKDDKI-AWEZNQCLSA-N 1 3 323.868 2.942 20 0 DFADHO CN(CCC(=O)Nc1cccc(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841814 426248819 /nfs/dbraw/zinc/24/88/19/426248819.db2.gz APPHUGFOWZZFPS-AWEZNQCLSA-N 1 3 323.868 2.942 20 0 DFADHO CN(CCC(=O)Nc1cccc(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841814 426248822 /nfs/dbraw/zinc/24/88/22/426248822.db2.gz APPHUGFOWZZFPS-AWEZNQCLSA-N 1 3 323.868 2.942 20 0 DFADHO CCc1ccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000150951821 426268749 /nfs/dbraw/zinc/26/87/49/426268749.db2.gz POQFWXVYDGROKD-MRXNPFEDSA-N 1 3 303.494 2.926 20 0 DFADHO CC(C)C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccccn1 ZINC000150950413 426269084 /nfs/dbraw/zinc/26/90/84/426269084.db2.gz WNPVZPKZHBTVFG-IBGZPJMESA-N 1 3 318.509 2.784 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000150960332 426269277 /nfs/dbraw/zinc/26/92/77/426269277.db2.gz DZUCEGXQRWECSF-KRWDZBQOSA-N 1 3 319.518 2.839 20 0 DFADHO CCc1nc(C)c([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)s1 ZINC000150949348 426269582 /nfs/dbraw/zinc/26/95/82/426269582.db2.gz DELNAHGICZPDLK-ZDUSSCGKSA-N 1 3 324.538 2.691 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000171721127 426206951 /nfs/dbraw/zinc/20/69/51/426206951.db2.gz ZXLGDMSMCDDQQF-UHFFFAOYSA-N 1 3 318.465 2.554 20 0 DFADHO CN(C)Cc1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000121098587 426320340 /nfs/dbraw/zinc/32/03/40/426320340.db2.gz IYVJSGQETONJHL-BZSNNMDCSA-N 1 3 300.446 2.795 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)N(C)C)c1 ZINC000121231791 426326988 /nfs/dbraw/zinc/32/69/88/426326988.db2.gz PVHPHNNCYTUWBV-RGCFKVTRSA-N 1 3 319.493 2.616 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)N(C)C)c1 ZINC000121231791 426326990 /nfs/dbraw/zinc/32/69/90/426326990.db2.gz PVHPHNNCYTUWBV-RGCFKVTRSA-N 1 3 319.493 2.616 20 0 DFADHO COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)N(C)C)c1 ZINC000121231791 426326992 /nfs/dbraw/zinc/32/69/92/426326992.db2.gz PVHPHNNCYTUWBV-RGCFKVTRSA-N 1 3 319.493 2.616 20 0 DFADHO COC[C@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C1CC1 ZINC000090717281 426330149 /nfs/dbraw/zinc/33/01/49/426330149.db2.gz ZEUUZGUDRXWHHJ-KDOFPFPSSA-N 1 3 306.450 2.703 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCC2([C@H](O)c3ccccc3)CC2)[C@H](C)C1 ZINC000090770565 426330445 /nfs/dbraw/zinc/33/04/45/426330445.db2.gz BLRSWYDUWXNKCX-KBAYOESNSA-N 1 3 302.462 2.820 20 0 DFADHO CC[N@H+]1CC[C@@H](NCC2([C@H](O)c3ccccc3)CC2)[C@H](C)C1 ZINC000090770565 426330448 /nfs/dbraw/zinc/33/04/48/426330448.db2.gz BLRSWYDUWXNKCX-KBAYOESNSA-N 1 3 302.462 2.820 20 0 DFADHO C[C@@H]1C[C@@H](NCCc2nc(C(F)(F)F)cs2)CC[N@@H+]1C ZINC000152192915 426331133 /nfs/dbraw/zinc/33/11/33/426331133.db2.gz GEFFGBOPBIWHRA-ZJUUUORDSA-N 1 3 307.385 2.777 20 0 DFADHO C[C@@H]1C[C@@H](NCCc2nc(C(F)(F)F)cs2)CC[N@H+]1C ZINC000152192915 426331136 /nfs/dbraw/zinc/33/11/36/426331136.db2.gz GEFFGBOPBIWHRA-ZJUUUORDSA-N 1 3 307.385 2.777 20 0 DFADHO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000151190538 426282470 /nfs/dbraw/zinc/28/24/70/426282470.db2.gz XGUIPOIWQQOIEK-DOTOQJQBSA-N 1 3 308.466 2.685 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000175159230 426283885 /nfs/dbraw/zinc/28/38/85/426283885.db2.gz DGLOUKJZKXPCBF-IRXDYDNUSA-N 1 3 318.465 2.743 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000153688609 426400015 /nfs/dbraw/zinc/40/00/15/426400015.db2.gz UJYCAYGLJDXIBS-CZUORRHYSA-N 1 3 316.424 2.892 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000153688609 426400020 /nfs/dbraw/zinc/40/00/20/426400020.db2.gz UJYCAYGLJDXIBS-CZUORRHYSA-N 1 3 316.424 2.892 20 0 DFADHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1F ZINC000153688609 426400022 /nfs/dbraw/zinc/40/00/22/426400022.db2.gz UJYCAYGLJDXIBS-CZUORRHYSA-N 1 3 316.424 2.892 20 0 DFADHO Fc1ccccc1CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000121411205 426341221 /nfs/dbraw/zinc/34/12/21/426341221.db2.gz ZVHKSYSXYWVRSK-UHFFFAOYSA-N 1 3 320.452 2.945 20 0 DFADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCCO2 ZINC000152380601 426341859 /nfs/dbraw/zinc/34/18/59/426341859.db2.gz MJXLUYAUGBIDDZ-KSSFIOAISA-N 1 3 316.445 2.983 20 0 DFADHO C[NH+](C)CC1CCN(Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000339841740 268901780 /nfs/dbraw/zinc/90/17/80/268901780.db2.gz ATEQFCYRPPDEPF-UHFFFAOYSA-N 1 3 312.461 2.705 20 0 DFADHO C[C@H]1CCC[C@@H](CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000092796438 426353245 /nfs/dbraw/zinc/35/32/45/426353245.db2.gz ZGAPTDHKWBDIKK-OTWHNJEPSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@H]1CCC[C@@H](CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000092796438 426353248 /nfs/dbraw/zinc/35/32/48/426353248.db2.gz ZGAPTDHKWBDIKK-OTWHNJEPSA-N 1 3 307.526 2.915 20 0 DFADHO CC[C@H]([NH2+]Cc1ccccc1OCCN(C)C)[C@H]1CCOC1 ZINC000122376471 426372817 /nfs/dbraw/zinc/37/28/17/426372817.db2.gz KPVDHOQMYSZBGG-IRXDYDNUSA-N 1 3 306.450 2.532 20 0 DFADHO CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1OC ZINC000153840520 426409024 /nfs/dbraw/zinc/40/90/24/426409024.db2.gz YUKJBQGHIYBMKJ-LZWOXQAQSA-N 1 3 306.450 2.912 20 0 DFADHO CC[C@H](C[NH2+][C@H]1CCN(C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000123093854 426414117 /nfs/dbraw/zinc/41/41/17/426414117.db2.gz DXIXTGYZANKKGE-LSTHTHJFSA-N 1 3 315.505 2.896 20 0 DFADHO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000341068936 269037812 /nfs/dbraw/zinc/03/78/12/269037812.db2.gz ZDKLSLWNFQGTPO-APWZRJJASA-N 1 3 304.478 2.992 20 0 DFADHO C[C@H](CCc1ccccc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000177302866 426465772 /nfs/dbraw/zinc/46/57/72/426465772.db2.gz WEDBYGGZPJOTQZ-GOSISDBHSA-N 1 3 303.494 2.625 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000124168467 426473199 /nfs/dbraw/zinc/47/31/99/426473199.db2.gz NTMWTVNGMUTSCV-KBPBESRZSA-N 1 3 322.449 2.705 20 0 DFADHO CN(C)Cc1cccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000155499658 426473711 /nfs/dbraw/zinc/47/37/11/426473711.db2.gz XVWUQYISOTWDCQ-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000124381111 426482681 /nfs/dbraw/zinc/48/26/81/426482681.db2.gz HZKHQUCHEIXNPG-KGLIPLIRSA-N 1 3 304.434 2.839 20 0 DFADHO COCC[C@@H](C)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000124378778 426482753 /nfs/dbraw/zinc/48/27/53/426482753.db2.gz ZQALHCJSQFREDS-MRXNPFEDSA-N 1 3 320.477 2.922 20 0 DFADHO CCN1CCC([NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272368563 426509452 /nfs/dbraw/zinc/50/94/52/426509452.db2.gz UIUYJMRREDYNDA-HKUYNNGSSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000177750953 426514648 /nfs/dbraw/zinc/51/46/48/426514648.db2.gz FXYUVGSABASKPQ-OFQRWUPVSA-N 1 3 317.433 2.777 20 0 DFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000177750953 426514652 /nfs/dbraw/zinc/51/46/52/426514652.db2.gz FXYUVGSABASKPQ-OFQRWUPVSA-N 1 3 317.433 2.777 20 0 DFADHO CN(C)[C@@H](CNC(=O)C[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000177756752 426516657 /nfs/dbraw/zinc/51/66/57/426516657.db2.gz PURDNEKFCSRPAG-SFHVURJKSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000177756752 426516664 /nfs/dbraw/zinc/51/66/64/426516664.db2.gz PURDNEKFCSRPAG-SFHVURJKSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@H](CCC1CC1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000186410521 426523824 /nfs/dbraw/zinc/52/38/24/426523824.db2.gz BBVUIOGKCVWYRL-OAHLLOKOSA-N 1 3 317.477 2.646 20 0 DFADHO C[C@H](CCO)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000272705144 426573081 /nfs/dbraw/zinc/57/30/81/426573081.db2.gz UAYMNQAZOVREFG-QXCFHYIPSA-N 1 3 302.462 2.648 20 0 DFADHO Brc1ccc(CCN[C@H]2CCC[NH2+]CC2)s1 ZINC000226359627 426620920 /nfs/dbraw/zinc/62/09/20/426620920.db2.gz MCUHHDGWYVWJOW-JTQLQIEISA-N 1 3 303.269 2.785 20 0 DFADHO C[C@H]([NH2+]CC1CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000178279880 426599737 /nfs/dbraw/zinc/59/97/37/426599737.db2.gz HEIGYTCLWJIDNP-HNNXBMFYSA-N 1 3 306.450 2.704 20 0 DFADHO CSC1(C[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000289241727 426613861 /nfs/dbraw/zinc/61/38/61/426613861.db2.gz LDMWBHJOYTVPLC-UHFFFAOYSA-N 1 3 320.502 2.629 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000273209241 426617133 /nfs/dbraw/zinc/61/71/33/426617133.db2.gz LJJGCWGTSFBZDX-CQSZACIVSA-N 1 3 321.465 2.732 20 0 DFADHO C[C@H](NCCOCC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562912 426558695 /nfs/dbraw/zinc/55/86/95/426558695.db2.gz UOUSNFBQMNJWLE-LPHOPBHVSA-N 1 3 302.462 2.913 20 0 DFADHO C[C@H](NCCOCC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562912 426558699 /nfs/dbraw/zinc/55/86/99/426558699.db2.gz UOUSNFBQMNJWLE-LPHOPBHVSA-N 1 3 302.462 2.913 20 0 DFADHO CC[N@H+](CCCN(C)C)Cc1cn(C)nc1-c1ccccc1 ZINC000289443201 426658305 /nfs/dbraw/zinc/65/83/05/426658305.db2.gz MDBIYDWISINXLU-UHFFFAOYSA-N 1 3 300.450 2.861 20 0 DFADHO CC[N@@H+](CCCN(C)C)Cc1cn(C)nc1-c1ccccc1 ZINC000289443201 426658312 /nfs/dbraw/zinc/65/83/12/426658312.db2.gz MDBIYDWISINXLU-UHFFFAOYSA-N 1 3 300.450 2.861 20 0 DFADHO C[NH+]1CCC(CCNCc2ccnn2-c2ccc(F)cc2)CC1 ZINC000280864620 426672825 /nfs/dbraw/zinc/67/28/25/426672825.db2.gz MFFHFNPICFKZDX-UHFFFAOYSA-N 1 3 316.424 2.833 20 0 DFADHO c1ccc(CN2CCC([NH2+][C@H]3CCN4CCCC[C@@H]34)CC2)cc1 ZINC000236682839 426675797 /nfs/dbraw/zinc/67/57/97/426675797.db2.gz KGFDHEAQMWXIPI-PMACEKPBSA-N 1 3 313.489 2.867 20 0 DFADHO c1ccc(CN2CCN(CCCC[NH2+]CC3CC3)CC2)cc1 ZINC000236697942 426676738 /nfs/dbraw/zinc/67/67/38/426676738.db2.gz SPTLURHMRGEAFZ-UHFFFAOYSA-N 1 3 301.478 2.584 20 0 DFADHO COC(=O)CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000178716322 426680452 /nfs/dbraw/zinc/68/04/52/426680452.db2.gz YPTDHVBSZOZKGH-RDJZCZTQSA-N 1 3 304.434 2.534 20 0 DFADHO COC(=O)CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000178716322 426680456 /nfs/dbraw/zinc/68/04/56/426680456.db2.gz YPTDHVBSZOZKGH-RDJZCZTQSA-N 1 3 304.434 2.534 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1CCC1 ZINC000178414429 426624032 /nfs/dbraw/zinc/62/40/32/426624032.db2.gz LVXJBLRHOJQNKD-INIZCTEOSA-N 1 3 301.478 2.712 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000236947406 426686007 /nfs/dbraw/zinc/68/60/07/426686007.db2.gz ILAPZEAUFIEXFX-PBHICJAKSA-N 1 3 305.466 2.516 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000236947406 426686010 /nfs/dbraw/zinc/68/60/10/426686010.db2.gz ILAPZEAUFIEXFX-PBHICJAKSA-N 1 3 305.466 2.516 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000178440966 426628527 /nfs/dbraw/zinc/62/85/27/426628527.db2.gz WOOJYUUHDRWBRY-WMZOPIPTSA-N 1 3 315.461 2.821 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000178440966 426628533 /nfs/dbraw/zinc/62/85/33/426628533.db2.gz WOOJYUUHDRWBRY-WMZOPIPTSA-N 1 3 315.461 2.821 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000178440966 426628540 /nfs/dbraw/zinc/62/85/40/426628540.db2.gz WOOJYUUHDRWBRY-WMZOPIPTSA-N 1 3 315.461 2.821 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000178440966 426628546 /nfs/dbraw/zinc/62/85/46/426628546.db2.gz WOOJYUUHDRWBRY-WMZOPIPTSA-N 1 3 315.461 2.821 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C[C@H](O)CCc2ccccc2)CC1 ZINC000273260700 426630537 /nfs/dbraw/zinc/63/05/37/426630537.db2.gz XXAAHVRPGCUSFD-LJQANCHMSA-N 1 3 304.478 2.785 20 0 DFADHO C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000280939811 426689980 /nfs/dbraw/zinc/68/99/80/426689980.db2.gz ISJYUGDBFLQYQW-CRAIPNDOSA-N 1 3 320.477 2.829 20 0 DFADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](N)C(C)(C)C)[C@@H]1c1cccs1 ZINC000237085714 426689245 /nfs/dbraw/zinc/68/92/45/426689245.db2.gz MEFNSMFZCGSMIG-BPLDGKMQSA-N 1 3 323.506 2.621 20 0 DFADHO C[N@H+]1CCC[C@H](CNC(=O)[C@@H](N)C(C)(C)C)[C@@H]1c1cccs1 ZINC000237085714 426689250 /nfs/dbraw/zinc/68/92/50/426689250.db2.gz MEFNSMFZCGSMIG-BPLDGKMQSA-N 1 3 323.506 2.621 20 0 DFADHO C[C@@H]1CCCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000187950303 426709920 /nfs/dbraw/zinc/70/99/20/426709920.db2.gz ZFGNFAVPTREZIK-AEFFLSMTSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@H]1CCCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000187950325 426710190 /nfs/dbraw/zinc/71/01/90/426710190.db2.gz ZFGNFAVPTREZIK-WMZOPIPTSA-N 1 3 317.477 2.528 20 0 DFADHO CC[C@H](C)NC(=O)[C@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178915473 426720452 /nfs/dbraw/zinc/72/04/52/426720452.db2.gz DMAFYHUSACFDIT-IRXDYDNUSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000245973257 426789944 /nfs/dbraw/zinc/78/99/44/426789944.db2.gz WRAAFQLGGVWTBY-IXDOHACOSA-N 1 3 323.525 2.828 20 0 DFADHO COC[C@H](C)N(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000179370585 426782799 /nfs/dbraw/zinc/78/27/99/426782799.db2.gz NGGUFKQVMVUFHR-INIZCTEOSA-N 1 3 319.493 2.684 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCOC(C)(C)C)[C@@H](C)C1 ZINC000245929880 426785655 /nfs/dbraw/zinc/78/56/55/426785655.db2.gz UQNNPUMKFLZIGY-HOTGVXAUSA-N 1 3 300.487 2.528 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCOC(C)(C)C)[C@@H](C)C1 ZINC000245929880 426785661 /nfs/dbraw/zinc/78/56/61/426785661.db2.gz UQNNPUMKFLZIGY-HOTGVXAUSA-N 1 3 300.487 2.528 20 0 DFADHO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000188275381 426737596 /nfs/dbraw/zinc/73/75/96/426737596.db2.gz BRAASBWTQHSMHM-RBUKOAKNSA-N 1 3 300.446 2.664 20 0 DFADHO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000188275381 426737599 /nfs/dbraw/zinc/73/75/99/426737599.db2.gz BRAASBWTQHSMHM-RBUKOAKNSA-N 1 3 300.446 2.664 20 0 DFADHO CCN1CCN(c2ccccc2N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000245563359 426752619 /nfs/dbraw/zinc/75/26/19/426752619.db2.gz MQAYSUHLVBBMDU-IRXDYDNUSA-N 1 3 316.493 2.723 20 0 DFADHO CCN1CCN(c2ccccc2N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000245563359 426752622 /nfs/dbraw/zinc/75/26/22/426752622.db2.gz MQAYSUHLVBBMDU-IRXDYDNUSA-N 1 3 316.493 2.723 20 0 DFADHO C[C@H](c1ccccn1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000267079259 426822004 /nfs/dbraw/zinc/82/20/04/426822004.db2.gz QKFJJANUJANYHE-IXDOHACOSA-N 1 3 317.477 2.964 20 0 DFADHO C[C@H](c1ccccn1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000267079259 426822011 /nfs/dbraw/zinc/82/20/11/426822011.db2.gz QKFJJANUJANYHE-IXDOHACOSA-N 1 3 317.477 2.964 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000246375409 426826087 /nfs/dbraw/zinc/82/60/87/426826087.db2.gz HWPCHTKNVOMSSS-XLAORIBOSA-N 1 3 323.525 2.732 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000246375409 426826089 /nfs/dbraw/zinc/82/60/89/426826089.db2.gz HWPCHTKNVOMSSS-XLAORIBOSA-N 1 3 323.525 2.732 20 0 DFADHO Cc1cccc2c1C[N@H+](CCCN1CCN(C(C)C)CC1)CC2 ZINC000282085559 426827175 /nfs/dbraw/zinc/82/71/75/426827175.db2.gz OHDWBQUEACTRTN-UHFFFAOYSA-N 1 3 315.505 2.769 20 0 DFADHO Cc1cccc2c1C[N@@H+](CCCN1CCN(C(C)C)CC1)CC2 ZINC000282085559 426827176 /nfs/dbraw/zinc/82/71/76/426827176.db2.gz OHDWBQUEACTRTN-UHFFFAOYSA-N 1 3 315.505 2.769 20 0 DFADHO c1cnn(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000180112222 426835548 /nfs/dbraw/zinc/83/55/48/426835548.db2.gz WMGSKQVVUIEXJX-YQQQUEKLSA-N 1 3 310.445 2.668 20 0 DFADHO c1cnn(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000180112222 426835554 /nfs/dbraw/zinc/83/55/54/426835554.db2.gz WMGSKQVVUIEXJX-YQQQUEKLSA-N 1 3 310.445 2.668 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1(C)C ZINC000282141652 426837568 /nfs/dbraw/zinc/83/75/68/426837568.db2.gz CCCMWIWUFJMWMQ-OALUTQOASA-N 1 3 315.505 2.938 20 0 DFADHO COC(C)(C)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180170628 426839914 /nfs/dbraw/zinc/83/99/14/426839914.db2.gz VBDSXHNZKJDUCY-OKZBNKHCSA-N 1 3 302.462 2.912 20 0 DFADHO c1[nH]c2nccnc2c1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000290551030 426791685 /nfs/dbraw/zinc/79/16/85/426791685.db2.gz AWVXXMZQCKCSPZ-UHFFFAOYSA-N 1 3 321.428 2.844 20 0 DFADHO C[N@H+](CCO)C1CCN([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000275785448 426918453 /nfs/dbraw/zinc/91/84/53/426918453.db2.gz YCJHPMHHBWABET-WOJBJXKFSA-N 1 3 316.489 2.885 20 0 DFADHO C[N@@H+](CCO)C1CCN([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000275785448 426918459 /nfs/dbraw/zinc/91/84/59/426918459.db2.gz YCJHPMHHBWABET-WOJBJXKFSA-N 1 3 316.489 2.885 20 0 DFADHO C[N@H+](CCO)C1CCN([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000275785446 426919739 /nfs/dbraw/zinc/91/97/39/426919739.db2.gz YCJHPMHHBWABET-VQTJNVASSA-N 1 3 316.489 2.885 20 0 DFADHO C[N@@H+](CCO)C1CCN([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000275785446 426919745 /nfs/dbraw/zinc/91/97/45/426919745.db2.gz YCJHPMHHBWABET-VQTJNVASSA-N 1 3 316.489 2.885 20 0 DFADHO C[C@H](CCc1ccccc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282236218 426860584 /nfs/dbraw/zinc/86/05/84/426860584.db2.gz IUSXJDPWEQMXGP-QGZVFWFLSA-N 1 3 303.494 2.623 20 0 DFADHO CCCN1CC[C@@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282293554 426874528 /nfs/dbraw/zinc/87/45/28/426874528.db2.gz QQOUOYFKSBSWPC-AWEZNQCLSA-N 1 3 318.490 2.970 20 0 DFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(Cl)s1 ZINC000267464845 426879090 /nfs/dbraw/zinc/87/90/90/426879090.db2.gz LLOYFKXXVPSEQB-UHFFFAOYSA-N 1 3 315.914 2.859 20 0 DFADHO C[C@H](O)C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000305272967 426906579 /nfs/dbraw/zinc/90/65/79/426906579.db2.gz AJSFBQOEFUODLU-WZGPROSRSA-N 1 3 302.462 2.758 20 0 DFADHO C[C@H](O)C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000305272967 426906587 /nfs/dbraw/zinc/90/65/87/426906587.db2.gz AJSFBQOEFUODLU-WZGPROSRSA-N 1 3 302.462 2.758 20 0 DFADHO C[C@@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000247169307 426911616 /nfs/dbraw/zinc/91/16/16/426911616.db2.gz YKXCVOJUKJMIDS-XLMAVXFVSA-N 1 3 301.478 2.756 20 0 DFADHO C[C@@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000247169307 426911621 /nfs/dbraw/zinc/91/16/21/426911621.db2.gz YKXCVOJUKJMIDS-XLMAVXFVSA-N 1 3 301.478 2.756 20 0 DFADHO CC(C)(C)OC1CC(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000305866831 426912906 /nfs/dbraw/zinc/91/29/06/426912906.db2.gz ZVYGECHYPIKLLM-HIEASXQVSA-N 1 3 324.509 2.690 20 0 DFADHO CCC[C@@H](O)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295418328 426952654 /nfs/dbraw/zinc/95/26/54/426952654.db2.gz XXZKJIUYAPFNAY-RTBURBONSA-N 1 3 302.462 2.745 20 0 DFADHO CCC[C@@H](O)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000295418328 426952659 /nfs/dbraw/zinc/95/26/59/426952659.db2.gz XXZKJIUYAPFNAY-RTBURBONSA-N 1 3 302.462 2.745 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)[C@@H](C)C1 ZINC000248049248 426974070 /nfs/dbraw/zinc/97/40/70/426974070.db2.gz VVWAOTHNHAUGER-ULQDDVLXSA-N 1 3 305.466 2.736 20 0 DFADHO CCCN(CCN[C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000181716413 426976959 /nfs/dbraw/zinc/97/69/59/426976959.db2.gz JCVVCPPRYMBUSH-HUUCEWRRSA-N 1 3 313.486 2.706 20 0 DFADHO CCCN(CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000181716413 426976966 /nfs/dbraw/zinc/97/69/66/426976966.db2.gz JCVVCPPRYMBUSH-HUUCEWRRSA-N 1 3 313.486 2.706 20 0 DFADHO CCOC(=O)[C@@](C)(CNC1CC[NH+](CC)CC1)c1ccccc1 ZINC000276200450 427006061 /nfs/dbraw/zinc/00/60/61/427006061.db2.gz NNQGCLOSMZAZBN-IBGZPJMESA-N 1 3 318.461 2.581 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000248574102 427015429 /nfs/dbraw/zinc/01/54/29/427015429.db2.gz MXAVQSKWJKYEJR-MOPGFXCFSA-N 1 3 304.478 2.786 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000248574102 427015436 /nfs/dbraw/zinc/01/54/36/427015436.db2.gz MXAVQSKWJKYEJR-MOPGFXCFSA-N 1 3 304.478 2.786 20 0 DFADHO CC(C)Oc1cccc(CNCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000268449554 427020839 /nfs/dbraw/zinc/02/08/39/427020839.db2.gz VTNOBQBBBVHFJK-UHFFFAOYSA-N 1 3 320.477 2.799 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnccc2C)[C@@H](C)C1 ZINC000276275272 427024007 /nfs/dbraw/zinc/02/40/07/427024007.db2.gz SQSTUAIBSOJEIT-FUHWJXTLSA-N 1 3 305.466 2.617 20 0 DFADHO C(N1CCC2(CCC2)C1)C1(C[N@@H+]2CCC3(CCC3)C2)COC1 ZINC000182230131 427030150 /nfs/dbraw/zinc/03/01/50/427030150.db2.gz CFBGGWBLAOUCEV-UHFFFAOYSA-N 1 3 304.478 2.755 20 0 DFADHO C(N1CCC2(CCC2)C1)C1(C[N@H+]2CCC3(CCC3)C2)COC1 ZINC000182230131 427030159 /nfs/dbraw/zinc/03/01/59/427030159.db2.gz CFBGGWBLAOUCEV-UHFFFAOYSA-N 1 3 304.478 2.755 20 0 DFADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248737798 427037903 /nfs/dbraw/zinc/03/79/03/427037903.db2.gz OZWVFRDXBJXSTR-HSFUPAIVSA-N 1 3 306.494 2.902 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248737798 427037912 /nfs/dbraw/zinc/03/79/12/427037912.db2.gz OZWVFRDXBJXSTR-HSFUPAIVSA-N 1 3 306.494 2.902 20 0 DFADHO CC[N@H+](C)C[C@@H]1CCN(CCCc2ccc3c(c2)CCO3)C1 ZINC000190204923 427045104 /nfs/dbraw/zinc/04/51/04/427045104.db2.gz AUUARJKTSVQUMZ-KRWDZBQOSA-N 1 3 302.462 2.828 20 0 DFADHO CC[N@@H+](C)C[C@@H]1CCN(CCCc2ccc3c(c2)CCO3)C1 ZINC000190204923 427045109 /nfs/dbraw/zinc/04/51/09/427045109.db2.gz AUUARJKTSVQUMZ-KRWDZBQOSA-N 1 3 302.462 2.828 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000190204923 427045116 /nfs/dbraw/zinc/04/51/16/427045116.db2.gz AUUARJKTSVQUMZ-KRWDZBQOSA-N 1 3 302.462 2.828 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000190204923 427045122 /nfs/dbraw/zinc/04/51/22/427045122.db2.gz AUUARJKTSVQUMZ-KRWDZBQOSA-N 1 3 302.462 2.828 20 0 DFADHO CC[N@H+](C)C[C@H]1CCN(CCCc2ccc3c(c2)CCO3)C1 ZINC000190204945 427045327 /nfs/dbraw/zinc/04/53/27/427045327.db2.gz AUUARJKTSVQUMZ-QGZVFWFLSA-N 1 3 302.462 2.828 20 0 DFADHO CC[N@@H+](C)C[C@H]1CCN(CCCc2ccc3c(c2)CCO3)C1 ZINC000190204945 427045332 /nfs/dbraw/zinc/04/53/32/427045332.db2.gz AUUARJKTSVQUMZ-QGZVFWFLSA-N 1 3 302.462 2.828 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000190204945 427045340 /nfs/dbraw/zinc/04/53/40/427045340.db2.gz AUUARJKTSVQUMZ-QGZVFWFLSA-N 1 3 302.462 2.828 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000190204945 427045345 /nfs/dbraw/zinc/04/53/45/427045345.db2.gz AUUARJKTSVQUMZ-QGZVFWFLSA-N 1 3 302.462 2.828 20 0 DFADHO Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@@H]3CCCCN3C)C2)n1 ZINC000268563079 427054416 /nfs/dbraw/zinc/05/44/16/427054416.db2.gz POHGNDKYBAEOSN-MSOLQXFVSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1cccc(NC[C@H]2CC[N@H+](CC[C@@H]3CCCCN3C)C2)n1 ZINC000268563079 427054420 /nfs/dbraw/zinc/05/44/20/427054420.db2.gz POHGNDKYBAEOSN-MSOLQXFVSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1cccc(NC[C@H]2CCN(CC[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000268563079 427054428 /nfs/dbraw/zinc/05/44/28/427054428.db2.gz POHGNDKYBAEOSN-MSOLQXFVSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1cccc(NC[C@H]2CCN(CC[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000268563079 427054434 /nfs/dbraw/zinc/05/44/34/427054434.db2.gz POHGNDKYBAEOSN-MSOLQXFVSA-N 1 3 316.493 2.998 20 0 DFADHO C([C@@H]1CC[N@H+](CC2CCC3(CC2)OCCO3)C1)N1CCCCC1 ZINC000190251912 427054536 /nfs/dbraw/zinc/05/45/36/427054536.db2.gz BGDULTZUWZSBBV-SFHVURJKSA-N 1 3 322.493 2.728 20 0 DFADHO C([C@@H]1CC[N@@H+](CC2CCC3(CC2)OCCO3)C1)N1CCCCC1 ZINC000190251912 427054542 /nfs/dbraw/zinc/05/45/42/427054542.db2.gz BGDULTZUWZSBBV-SFHVURJKSA-N 1 3 322.493 2.728 20 0 DFADHO C([C@@H]1CCN(CC2CCC3(CC2)OCCO3)C1)[NH+]1CCCCC1 ZINC000190251912 427054549 /nfs/dbraw/zinc/05/45/49/427054549.db2.gz BGDULTZUWZSBBV-SFHVURJKSA-N 1 3 322.493 2.728 20 0 DFADHO CC[NH+](CC)Cc1ccc(N[C@H]2CCN(CCOC)C2)cc1 ZINC000276584418 427107080 /nfs/dbraw/zinc/10/70/80/427107080.db2.gz VMTKYMQCFJVVAK-SFHVURJKSA-N 1 3 305.466 2.661 20 0 DFADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000268778410 427112888 /nfs/dbraw/zinc/11/28/88/427112888.db2.gz WPOIOTGFWGGGAU-CYBMUJFWSA-N 1 3 313.445 2.849 20 0 DFADHO CCCOc1ccc(OCC[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292162804 427114112 /nfs/dbraw/zinc/11/41/12/427114112.db2.gz OSHTUOAOLKDTQX-IBGZPJMESA-N 1 3 318.461 2.882 20 0 DFADHO CCCOc1ccc(OCC[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292162804 427114119 /nfs/dbraw/zinc/11/41/19/427114119.db2.gz OSHTUOAOLKDTQX-IBGZPJMESA-N 1 3 318.461 2.882 20 0 DFADHO CC[C@H](NCCC[N@H+](C)CCOC)c1ccc(OC)c(OC)c1 ZINC000268794530 427118808 /nfs/dbraw/zinc/11/88/08/427118808.db2.gz FLVDWYJKFLFCRI-INIZCTEOSA-N 1 3 324.465 2.713 20 0 DFADHO CC[C@H](NCCC[N@@H+](C)CCOC)c1ccc(OC)c(OC)c1 ZINC000268794530 427118815 /nfs/dbraw/zinc/11/88/15/427118815.db2.gz FLVDWYJKFLFCRI-INIZCTEOSA-N 1 3 324.465 2.713 20 0 DFADHO CC[C@@H](NCCC[N@H+](C)CCOC)c1ccc(OC)c(OC)c1 ZINC000268794532 427119582 /nfs/dbraw/zinc/11/95/82/427119582.db2.gz FLVDWYJKFLFCRI-MRXNPFEDSA-N 1 3 324.465 2.713 20 0 DFADHO CC[C@@H](NCCC[N@@H+](C)CCOC)c1ccc(OC)c(OC)c1 ZINC000268794532 427119587 /nfs/dbraw/zinc/11/95/87/427119587.db2.gz FLVDWYJKFLFCRI-MRXNPFEDSA-N 1 3 324.465 2.713 20 0 DFADHO C[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000338058195 427121495 /nfs/dbraw/zinc/12/14/95/427121495.db2.gz KNCKQBKCTDNSCX-XHSDSOJGSA-N 1 3 309.498 2.628 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(OCCN(C)C)cc1 ZINC000268809360 427125145 /nfs/dbraw/zinc/12/51/45/427125145.db2.gz NLOIJTUXTCILTE-CRAIPNDOSA-N 1 3 306.450 2.847 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1ccc(OCCN(C)C)cc1 ZINC000249881467 427151511 /nfs/dbraw/zinc/15/15/11/427151511.db2.gz HTACPYMTRKDKFY-IEZWGBDMSA-N 1 3 320.477 2.829 20 0 DFADHO C[NH+]1CCC([C@@H]2CCN(Cc3cccc4c3OCCO4)C2)CC1 ZINC000270473616 271293258 /nfs/dbraw/zinc/29/32/58/271293258.db2.gz NKHZKRLDYKXWRN-MRXNPFEDSA-N 1 3 316.445 2.622 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CCN1 ZINC000333344102 271371396 /nfs/dbraw/zinc/37/13/96/271371396.db2.gz YUTKJOFFOQOZEU-XNDRKVBMSA-N 1 3 313.445 2.549 20 0 DFADHO COc1ncc([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1Cl ZINC000284288132 427174637 /nfs/dbraw/zinc/17/46/37/427174637.db2.gz KCIULMSDAZVMAS-NEPJUHHUSA-N 1 3 309.841 2.879 20 0 DFADHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC1(O)CCN(C)CC1 ZINC000338177809 427176032 /nfs/dbraw/zinc/17/60/32/427176032.db2.gz CFVWGWQQHYKCHD-SDNWHVSQSA-N 1 3 308.853 2.790 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cc1 ZINC000338183122 427178878 /nfs/dbraw/zinc/17/88/78/427178878.db2.gz ACSCFYJUQZPPCB-MAUKXSAKSA-N 1 3 317.477 2.741 20 0 DFADHO c1ccc([C@@H]2OCC[C@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000253336061 427199661 /nfs/dbraw/zinc/19/96/61/427199661.db2.gz HWUKPECPGOSWPY-VJANTYMQSA-N 1 3 300.446 2.981 20 0 DFADHO c1ccc([C@@H]2OCC[C@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000253336061 427199667 /nfs/dbraw/zinc/19/96/67/427199667.db2.gz HWUKPECPGOSWPY-VJANTYMQSA-N 1 3 300.446 2.981 20 0 DFADHO COc1ccc(CNCCCC[NH+](C)C)c(Br)c1 ZINC000285600103 427284753 /nfs/dbraw/zinc/28/47/53/427284753.db2.gz YGFRTFPHLAQFPR-UHFFFAOYSA-N 1 3 315.255 2.889 20 0 DFADHO CC(C)[NH+]1CCC(N2CCN(CCc3ccccc3)CC2)CC1 ZINC000269629219 427234112 /nfs/dbraw/zinc/23/41/12/427234112.db2.gz HBIDKUKUGRFJCV-UHFFFAOYSA-N 1 3 315.505 2.720 20 0 DFADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(N2CCCC2=O)cc1 ZINC000293312250 427282504 /nfs/dbraw/zinc/28/25/04/427282504.db2.gz FDVKISXMBOMLKG-LSDHHAIUSA-N 1 3 303.450 2.662 20 0 DFADHO Cc1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000338446160 427327283 /nfs/dbraw/zinc/32/72/83/427327283.db2.gz SEVAHVKKOVIXOE-QAPCUYQASA-N 1 3 312.461 2.968 20 0 DFADHO Cc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000338446160 427327287 /nfs/dbraw/zinc/32/72/87/427327287.db2.gz SEVAHVKKOVIXOE-QAPCUYQASA-N 1 3 312.461 2.968 20 0 DFADHO CCCCOCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000338940914 271622956 /nfs/dbraw/zinc/62/29/56/271622956.db2.gz ZMIDIDWKMGAXLQ-IRXDYDNUSA-N 1 3 312.498 2.624 20 0 DFADHO CCN(C)c1ccc(C[NH2+]CC2(CN(C)C)CCCC2)cn1 ZINC000191596981 427384438 /nfs/dbraw/zinc/38/44/38/427384438.db2.gz FQKIFLLBVGTCIH-UHFFFAOYSA-N 1 3 304.482 2.749 20 0 DFADHO COC(=O)C(C)(C)CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000338571939 427389836 /nfs/dbraw/zinc/38/98/36/427389836.db2.gz NSAJQMMCEPEJOL-CABCVRRESA-N 1 3 310.482 2.818 20 0 DFADHO COC(=O)C(C)(C)CCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338571939 427389845 /nfs/dbraw/zinc/38/98/45/427389845.db2.gz NSAJQMMCEPEJOL-CABCVRRESA-N 1 3 310.482 2.818 20 0 DFADHO COC(=O)C(C)(C)CCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338571939 427389855 /nfs/dbraw/zinc/38/98/55/427389855.db2.gz NSAJQMMCEPEJOL-CABCVRRESA-N 1 3 310.482 2.818 20 0 DFADHO CCC[C@](C)(N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000263073105 427406718 /nfs/dbraw/zinc/40/67/18/427406718.db2.gz ZXTGHIZMBRKLRR-ZDUSSCGKSA-N 1 3 303.328 2.620 20 0 DFADHO COC(=O)c1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000270428586 427354851 /nfs/dbraw/zinc/35/48/51/427354851.db2.gz HLWBJOHQNQFSCO-SFHVURJKSA-N 1 3 316.445 2.637 20 0 DFADHO COC(=O)c1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000270428586 427354861 /nfs/dbraw/zinc/35/48/61/427354861.db2.gz HLWBJOHQNQFSCO-SFHVURJKSA-N 1 3 316.445 2.637 20 0 DFADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)CCc1ccccc1 ZINC000191448635 427355008 /nfs/dbraw/zinc/35/50/08/427355008.db2.gz DLIVGVQXZKSECK-UHFFFAOYSA-N 1 3 317.521 2.967 20 0 DFADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)CCc1ccccc1 ZINC000191448635 427355014 /nfs/dbraw/zinc/35/50/14/427355014.db2.gz DLIVGVQXZKSECK-UHFFFAOYSA-N 1 3 317.521 2.967 20 0 DFADHO CCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262682776 427366772 /nfs/dbraw/zinc/36/67/72/427366772.db2.gz YLYLABWWYKGKJT-NXHRZFHOSA-N 1 3 317.477 2.625 20 0 DFADHO CCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262682776 427366777 /nfs/dbraw/zinc/36/67/77/427366777.db2.gz YLYLABWWYKGKJT-NXHRZFHOSA-N 1 3 317.477 2.625 20 0 DFADHO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000293872099 427471435 /nfs/dbraw/zinc/47/14/35/427471435.db2.gz YGCPONLMJIQDKU-QFACEVIFSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@H]1OCC[C@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000293872099 427471440 /nfs/dbraw/zinc/47/14/40/427471440.db2.gz YGCPONLMJIQDKU-QFACEVIFSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@H]1OCC[C@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000293872099 427471445 /nfs/dbraw/zinc/47/14/45/427471445.db2.gz YGCPONLMJIQDKU-QFACEVIFSA-N 1 3 300.446 2.664 20 0 DFADHO [NH3+]CC[C@H]1CCCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000286280154 427478841 /nfs/dbraw/zinc/47/88/41/427478841.db2.gz WLPKCYXZPKFAKO-GOSISDBHSA-N 1 3 315.461 2.626 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCC(=O)NC3(C)C)CC2)C1 ZINC000338774907 427479328 /nfs/dbraw/zinc/47/93/28/427479328.db2.gz LQGZNRBLUHFJLB-OIISXLGYSA-N 1 3 321.509 2.676 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCC(=O)NC3(C)C)CC2)C1 ZINC000338774907 427479335 /nfs/dbraw/zinc/47/93/35/427479335.db2.gz LQGZNRBLUHFJLB-OIISXLGYSA-N 1 3 321.509 2.676 20 0 DFADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297486 427483398 /nfs/dbraw/zinc/48/33/98/427483398.db2.gz WNHZCXDALLDVPZ-JKSUJKDBSA-N 1 3 313.449 2.650 20 0 DFADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297486 427483408 /nfs/dbraw/zinc/48/34/08/427483408.db2.gz WNHZCXDALLDVPZ-JKSUJKDBSA-N 1 3 313.449 2.650 20 0 DFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297486 427483413 /nfs/dbraw/zinc/48/34/13/427483413.db2.gz WNHZCXDALLDVPZ-JKSUJKDBSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@@H](NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338783716 427484748 /nfs/dbraw/zinc/48/47/48/427484748.db2.gz HCCBNNVMFNOLQW-VBSBHUPXSA-N 1 3 316.489 2.861 20 0 DFADHO CC[C@H](C)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286086332 427420405 /nfs/dbraw/zinc/42/04/05/427420405.db2.gz SPDVDIPHJWXIFX-ICSRJNTNSA-N 1 3 315.505 2.925 20 0 DFADHO CC[C@H](C)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286086332 427420413 /nfs/dbraw/zinc/42/04/13/427420413.db2.gz SPDVDIPHJWXIFX-ICSRJNTNSA-N 1 3 315.505 2.925 20 0 DFADHO CC[C@@H](C)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286086339 427421167 /nfs/dbraw/zinc/42/11/67/427421167.db2.gz SPDVDIPHJWXIFX-UYAOXDASSA-N 1 3 315.505 2.925 20 0 DFADHO CC[C@@H](C)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286086339 427421174 /nfs/dbraw/zinc/42/11/74/427421174.db2.gz SPDVDIPHJWXIFX-UYAOXDASSA-N 1 3 315.505 2.925 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286098073 427422878 /nfs/dbraw/zinc/42/28/78/427422878.db2.gz NBXYNZASPHXSEN-QEJZJMRPSA-N 1 3 317.433 2.541 20 0 DFADHO CO[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CC1 ZINC000293754008 427426435 /nfs/dbraw/zinc/42/64/35/427426435.db2.gz QPFYLSAVAXFFFF-MTQWCTHYSA-N 1 3 314.473 2.912 20 0 DFADHO CO[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000293754008 427426441 /nfs/dbraw/zinc/42/64/41/427426441.db2.gz QPFYLSAVAXFFFF-MTQWCTHYSA-N 1 3 314.473 2.912 20 0 DFADHO CO[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000293754008 427426447 /nfs/dbraw/zinc/42/64/47/427426447.db2.gz QPFYLSAVAXFFFF-MTQWCTHYSA-N 1 3 314.473 2.912 20 0 DFADHO COCCC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCC1 ZINC000297737054 427440628 /nfs/dbraw/zinc/44/06/28/427440628.db2.gz SSSKRVDPJTWNNC-UHFFFAOYSA-N 1 3 303.450 2.847 20 0 DFADHO C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)CN(C)C ZINC000293805720 427442968 /nfs/dbraw/zinc/44/29/68/427442968.db2.gz VHXJBYPSSQKAJB-FFGOWVMKSA-N 1 3 315.505 2.969 20 0 DFADHO COc1ccc(F)c(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000293957482 427502086 /nfs/dbraw/zinc/50/20/86/427502086.db2.gz PPCOMVIGXYDSHP-HNNXBMFYSA-N 1 3 306.425 2.998 20 0 DFADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCc3c(cccc3OC)C2)C1 ZINC000192440010 427540657 /nfs/dbraw/zinc/54/06/57/427540657.db2.gz GWEUDVCNGZBADT-NVXWUHKLSA-N 1 3 302.462 2.874 20 0 DFADHO C[C@@H](CO)CCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000271454707 427545168 /nfs/dbraw/zinc/54/51/68/427545168.db2.gz GPCDTYGANXYFKT-CVEARBPZSA-N 1 3 308.466 2.686 20 0 DFADHO c1ccc(CN2CC[C@@H](N3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000271470972 427553725 /nfs/dbraw/zinc/55/37/25/427553725.db2.gz YYBFGNKKVBNROG-VQTJNVASSA-N 1 3 313.489 2.679 20 0 DFADHO Cc1ccnc([C@@H](C)NC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000286314754 427489225 /nfs/dbraw/zinc/48/92/25/427489225.db2.gz XJJXGHDWPPVTKA-MRXNPFEDSA-N 1 3 316.493 2.599 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc3c(C)nn(C)c3s2)C1 ZINC000287259544 427562172 /nfs/dbraw/zinc/56/21/72/427562172.db2.gz AIULONCJUKTLAJ-OLZOCXBDSA-N 1 3 306.479 2.936 20 0 DFADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc3c(C)nn(C)c3s2)C1 ZINC000287259544 427562176 /nfs/dbraw/zinc/56/21/76/427562176.db2.gz AIULONCJUKTLAJ-OLZOCXBDSA-N 1 3 306.479 2.936 20 0 DFADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2cc3c(C)nn(C)c3s2)C1 ZINC000287259544 427562181 /nfs/dbraw/zinc/56/21/81/427562181.db2.gz AIULONCJUKTLAJ-OLZOCXBDSA-N 1 3 306.479 2.936 20 0 DFADHO Cc1ccncc1[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000271511794 427565293 /nfs/dbraw/zinc/56/52/93/427565293.db2.gz NWUZLNWQMPXRBM-SNRMKQJTSA-N 1 3 317.477 2.809 20 0 DFADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000298326891 427570965 /nfs/dbraw/zinc/57/09/65/427570965.db2.gz VIJLCLWRMXNQKE-DOMZBBRYSA-N 1 3 316.367 2.813 20 0 DFADHO C[C@H](O)CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000279152013 427575720 /nfs/dbraw/zinc/57/57/20/427575720.db2.gz SUDBMAKMYOLBOF-DSLXNQLJSA-N 1 3 302.462 2.648 20 0 DFADHO Cn1cc(-c2ccc(CN3CCC(C[NH+](C)C)CC3)s2)cn1 ZINC000338947304 427582391 /nfs/dbraw/zinc/58/23/91/427582391.db2.gz HTAORMLVQGWJLU-UHFFFAOYSA-N 1 3 318.490 2.922 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccc(F)cc2)C[C@H]1C ZINC000339009698 427623493 /nfs/dbraw/zinc/62/34/93/427623493.db2.gz GKXCITQSJHMAEP-FHLIZLRMSA-N 1 3 308.441 2.534 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccc(F)cc2)C[C@H]1C ZINC000339009698 427623499 /nfs/dbraw/zinc/62/34/99/427623499.db2.gz GKXCITQSJHMAEP-FHLIZLRMSA-N 1 3 308.441 2.534 20 0 DFADHO CN(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000192703031 427592955 /nfs/dbraw/zinc/59/29/55/427592955.db2.gz QGKJLSOVYJDHPW-FBVQUNGASA-N 1 3 305.441 2.643 20 0 DFADHO CN(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000192703031 427592961 /nfs/dbraw/zinc/59/29/61/427592961.db2.gz QGKJLSOVYJDHPW-FBVQUNGASA-N 1 3 305.441 2.643 20 0 DFADHO CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(F)cc1 ZINC000192703031 427592965 /nfs/dbraw/zinc/59/29/65/427592965.db2.gz QGKJLSOVYJDHPW-FBVQUNGASA-N 1 3 305.441 2.643 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)CCN1Cc1ccccc1 ZINC000271912238 427594715 /nfs/dbraw/zinc/59/47/15/427594715.db2.gz YCAGWXHXFWYDGJ-YLJYHZDGSA-N 1 3 313.489 2.891 20 0 DFADHO CN(CC[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000294238146 427595056 /nfs/dbraw/zinc/59/50/56/427595056.db2.gz OYIMJPAJRIIAFE-UHFFFAOYSA-N 1 3 310.445 2.776 20 0 DFADHO CC(C)[NH+]1CCN(CCCN2CCc3cc(F)ccc3C2)CC1 ZINC000192783333 427607509 /nfs/dbraw/zinc/60/75/09/427607509.db2.gz XVSKPMUGDUXYRA-UHFFFAOYSA-N 1 3 319.468 2.600 20 0 DFADHO c1cn2c(cccc2C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000192925401 427635734 /nfs/dbraw/zinc/63/57/34/427635734.db2.gz DWRQHQQJLLGPKT-GOSISDBHSA-N 1 3 320.440 2.946 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cccc(-n2ccnn2)c1 ZINC000287558212 427637401 /nfs/dbraw/zinc/63/74/01/427637401.db2.gz GBOQQIKZGJHYKV-USXIJHARSA-N 1 3 313.449 2.791 20 0 DFADHO O[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000298522150 427638435 /nfs/dbraw/zinc/63/84/35/427638435.db2.gz RMWAPLYYLZVXJO-SFHVURJKSA-N 1 3 303.450 2.581 20 0 DFADHO CCN1CCN(CCCC[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000298547065 427644985 /nfs/dbraw/zinc/64/49/85/427644985.db2.gz UFHQDPKNJIKJAQ-UHFFFAOYSA-N 1 3 323.912 2.890 20 0 DFADHO CCCN1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000342671094 272039774 /nfs/dbraw/zinc/03/97/74/272039774.db2.gz SSMNEPZWPRYORV-KRWDZBQOSA-N 1 3 309.498 2.584 20 0 DFADHO CCCN1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000342671094 272039777 /nfs/dbraw/zinc/03/97/77/272039777.db2.gz SSMNEPZWPRYORV-KRWDZBQOSA-N 1 3 309.498 2.584 20 0 DFADHO C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000342763364 272051680 /nfs/dbraw/zinc/05/16/80/272051680.db2.gz ZJJNQEZPRIHCHJ-IRXDYDNUSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)[C@H]1CCCO1 ZINC000342812193 272056750 /nfs/dbraw/zinc/05/67/50/272056750.db2.gz JSSHGOPDVVTOQJ-DNVCBOLYSA-N 1 3 318.461 2.817 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N(C)C1CCN(CC)CC1 ZINC000342861401 272063730 /nfs/dbraw/zinc/06/37/30/272063730.db2.gz MZOCQOTWOYHALU-UHFFFAOYSA-N 1 3 311.514 2.831 20 0 DFADHO C[C@@H]([NH2+]CC1=CCCOC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272218232 427677248 /nfs/dbraw/zinc/67/72/48/427677248.db2.gz RMJYHPVYMQDUOI-APWZRJJASA-N 1 3 300.446 2.833 20 0 DFADHO C[C@@H](NCC1=CCCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272218232 427677252 /nfs/dbraw/zinc/67/72/52/427677252.db2.gz RMJYHPVYMQDUOI-APWZRJJASA-N 1 3 300.446 2.833 20 0 DFADHO C[C@@H](NCC1=CCCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272218232 427677271 /nfs/dbraw/zinc/67/72/71/427677271.db2.gz RMJYHPVYMQDUOI-APWZRJJASA-N 1 3 300.446 2.833 20 0 DFADHO CO[C@H](C)CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000295053172 427673896 /nfs/dbraw/zinc/67/38/96/427673896.db2.gz PTLVHFBHZQXCLX-OQIJWPOYSA-N 1 3 302.462 2.912 20 0 DFADHO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000343574311 272174634 /nfs/dbraw/zinc/17/46/34/272174634.db2.gz CRDCXTCOIQFZFI-KRWDZBQOSA-N 1 3 323.525 2.687 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344095568 272262234 /nfs/dbraw/zinc/26/22/34/272262234.db2.gz GNRHRFCZAOGTDZ-IBGZPJMESA-N 1 3 319.468 2.820 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C)N1CCCCCC1 ZINC000344177969 272280350 /nfs/dbraw/zinc/28/03/50/272280350.db2.gz UEQLLKCPJJISPN-SJORKVTESA-N 1 3 311.514 2.878 20 0 DFADHO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000185633578 427683438 /nfs/dbraw/zinc/68/34/38/427683438.db2.gz BCFAUGFMCGJSPX-SZMVWBNQSA-N 1 3 317.477 2.526 20 0 DFADHO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000185633578 427683439 /nfs/dbraw/zinc/68/34/39/427683439.db2.gz BCFAUGFMCGJSPX-SZMVWBNQSA-N 1 3 317.477 2.526 20 0 DFADHO CC[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N(CC)CC ZINC000344518774 272332730 /nfs/dbraw/zinc/33/27/30/272332730.db2.gz BXWXQXKBGMESPW-SJORKVTESA-N 1 3 311.514 2.735 20 0 DFADHO CC[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N(CC)CC ZINC000344518774 272332731 /nfs/dbraw/zinc/33/27/31/272332731.db2.gz BXWXQXKBGMESPW-SJORKVTESA-N 1 3 311.514 2.735 20 0 DFADHO CC(C)[C@@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000344568250 272339667 /nfs/dbraw/zinc/33/96/67/272339667.db2.gz DMQFFFOBHZJCET-KZNAEPCWSA-N 1 3 323.525 2.732 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000344678338 272355715 /nfs/dbraw/zinc/35/57/15/272355715.db2.gz WQYAAMUSLLMOQK-UHFFFAOYSA-N 1 3 303.450 2.807 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000345000151 272392413 /nfs/dbraw/zinc/39/24/13/272392413.db2.gz IVHOMMKBHUBHSP-ILOCAZANSA-N 1 3 321.509 2.723 20 0 DFADHO CC[C@@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C(C)(C)O ZINC000295082660 427686625 /nfs/dbraw/zinc/68/66/25/427686625.db2.gz UCDXIRAQXSQDMK-RHSMWYFYSA-N 1 3 308.466 2.827 20 0 DFADHO CN(C)[C@H]1CCC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287779714 427691706 /nfs/dbraw/zinc/69/17/06/427691706.db2.gz NIQXZEUZFQEABD-DLBZAZTESA-N 1 3 310.869 2.660 20 0 DFADHO CN(C)[C@H]1CCC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287779714 427691711 /nfs/dbraw/zinc/69/17/11/427691711.db2.gz NIQXZEUZFQEABD-DLBZAZTESA-N 1 3 310.869 2.660 20 0 DFADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)C1CCN(CC(F)(F)F)CC1 ZINC000339162415 427711311 /nfs/dbraw/zinc/71/13/11/427711311.db2.gz BSBIKBXMLIKPKZ-HIFRSBDPSA-N 1 3 321.431 2.723 20 0 DFADHO c1ccc(CN2C[C@@H]3C[N@H+](CCOC4CCC4)C[C@@H]3C2)cc1 ZINC000287909787 427715258 /nfs/dbraw/zinc/71/52/58/427715258.db2.gz VKEXSFBPEUWYCT-HDICACEKSA-N 1 3 300.446 2.619 20 0 DFADHO c1ccc(CN2C[C@@H]3C[N@@H+](CCOC4CCC4)C[C@@H]3C2)cc1 ZINC000287909787 427715264 /nfs/dbraw/zinc/71/52/64/427715264.db2.gz VKEXSFBPEUWYCT-HDICACEKSA-N 1 3 300.446 2.619 20 0 DFADHO CC(C)OC1CC([NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000185856229 427718114 /nfs/dbraw/zinc/71/81/14/427718114.db2.gz JJJFVAVNVUNROM-UHFFFAOYSA-N 1 3 306.450 2.673 20 0 DFADHO Cc1nccn1CCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000336856187 427761201 /nfs/dbraw/zinc/76/12/01/427761201.db2.gz KWCLSKHWBGOCHD-SFHVURJKSA-N 1 3 304.482 2.635 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](N)CC1CCCCC1 ZINC000336863072 427765086 /nfs/dbraw/zinc/76/50/86/427765086.db2.gz HSJKAFZDYQQUJN-WBVHZDCISA-N 1 3 311.514 2.911 20 0 DFADHO CCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000336896260 427772144 /nfs/dbraw/zinc/77/21/44/427772144.db2.gz NULOFTDVTDMVAH-UHOSZYNNSA-N 1 3 301.478 2.581 20 0 DFADHO Cc1sccc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000339218537 427734884 /nfs/dbraw/zinc/73/48/84/427734884.db2.gz SRGHMBOUPISAHX-UHFFFAOYSA-N 1 3 307.507 2.705 20 0 DFADHO O[C@H](CN1CC[C@@H](CC2CC2)C1)C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339675103 427810558 /nfs/dbraw/zinc/81/05/58/427810558.db2.gz CCMUGFYTVXNGNO-BWTSREIZSA-N 1 3 306.494 2.591 20 0 DFADHO O[C@H](CN1CC[C@@H](CC2CC2)C1)C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339675103 427810560 /nfs/dbraw/zinc/81/05/60/427810560.db2.gz CCMUGFYTVXNGNO-BWTSREIZSA-N 1 3 306.494 2.591 20 0 DFADHO O[C@@H](CN1CC[C@H](CC2CC2)C1)C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339675103 427810562 /nfs/dbraw/zinc/81/05/62/427810562.db2.gz CCMUGFYTVXNGNO-BWTSREIZSA-N 1 3 306.494 2.591 20 0 DFADHO O[C@@H](CN1CC[C@H](CC2CC2)C1)C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339675103 427810565 /nfs/dbraw/zinc/81/05/65/427810565.db2.gz CCMUGFYTVXNGNO-BWTSREIZSA-N 1 3 306.494 2.591 20 0 DFADHO Cc1cccc2c(NCCN3CCC([NH+](C)C)CC3)ccnc12 ZINC000301646379 427811805 /nfs/dbraw/zinc/81/18/05/427811805.db2.gz DDNMQEQWSDGYRE-UHFFFAOYSA-N 1 3 312.461 2.981 20 0 DFADHO CC[C@H](C)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000337308550 427837639 /nfs/dbraw/zinc/83/76/39/427837639.db2.gz XXPOJLWFIISNSQ-INIZCTEOSA-N 1 3 305.466 2.548 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H]1CCCOc2cc(F)ccc21 ZINC000349663493 427838604 /nfs/dbraw/zinc/83/86/04/427838604.db2.gz KDRANPDXQQEWDW-QGZVFWFLSA-N 1 3 324.440 2.987 20 0 DFADHO Cc1cc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)c(C)o1 ZINC000337318455 427840849 /nfs/dbraw/zinc/84/08/49/427840849.db2.gz MQUOVDHCOXFDIV-MRXNPFEDSA-N 1 3 307.482 2.963 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC000349696346 427845182 /nfs/dbraw/zinc/84/51/82/427845182.db2.gz UOFFAHQTLXQLFG-ZDUSSCGKSA-N 1 3 300.393 2.974 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)COC(C)C)[C@@H](C)C1 ZINC000337328688 427845663 /nfs/dbraw/zinc/84/56/63/427845663.db2.gz FBKNYFUWGJSNFQ-ULQDDVLXSA-N 1 3 300.487 2.527 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)COC(C)C)[C@@H](C)C1 ZINC000337328688 427845668 /nfs/dbraw/zinc/84/56/68/427845668.db2.gz FBKNYFUWGJSNFQ-ULQDDVLXSA-N 1 3 300.487 2.527 20 0 DFADHO C[C@H](NCCC[N@H+](C)C1CCCCC1)C(C)(C)n1cncn1 ZINC000340470295 427855705 /nfs/dbraw/zinc/85/57/05/427855705.db2.gz NVXWBZQWUAALKP-HNNXBMFYSA-N 1 3 307.486 2.646 20 0 DFADHO C[C@H](NCCC[N@@H+](C)C1CCCCC1)C(C)(C)n1cncn1 ZINC000340470295 427855709 /nfs/dbraw/zinc/85/57/09/427855709.db2.gz NVXWBZQWUAALKP-HNNXBMFYSA-N 1 3 307.486 2.646 20 0 DFADHO C[C@H]([NH2+]CCCN(C)C1CCCCC1)C(C)(C)n1cncn1 ZINC000340470295 427855712 /nfs/dbraw/zinc/85/57/12/427855712.db2.gz NVXWBZQWUAALKP-HNNXBMFYSA-N 1 3 307.486 2.646 20 0 DFADHO CC[C@H](Cn1cncn1)NCc1ccccc1C[NH+](CC)CC ZINC000340470579 427857161 /nfs/dbraw/zinc/85/71/61/427857161.db2.gz OLUVBAXJFPABTP-GOSISDBHSA-N 1 3 315.465 2.688 20 0 DFADHO CCCC[C@H](C)C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000337485323 427926065 /nfs/dbraw/zinc/92/60/65/427926065.db2.gz YUCLZOCBAVEVEM-DLBZAZTESA-N 1 3 311.514 2.687 20 0 DFADHO CCCC[C@H](C)C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000337485323 427926067 /nfs/dbraw/zinc/92/60/67/427926067.db2.gz YUCLZOCBAVEVEM-DLBZAZTESA-N 1 3 311.514 2.687 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337427254 427902323 /nfs/dbraw/zinc/90/23/23/427902323.db2.gz BRGSXZXXVFLDGX-IRXDYDNUSA-N 1 3 316.493 2.883 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337427254 427902331 /nfs/dbraw/zinc/90/23/31/427902331.db2.gz BRGSXZXXVFLDGX-IRXDYDNUSA-N 1 3 316.493 2.883 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337427254 427902335 /nfs/dbraw/zinc/90/23/35/427902335.db2.gz BRGSXZXXVFLDGX-IRXDYDNUSA-N 1 3 316.493 2.883 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337427254 427902340 /nfs/dbraw/zinc/90/23/40/427902340.db2.gz BRGSXZXXVFLDGX-IRXDYDNUSA-N 1 3 316.493 2.883 20 0 DFADHO CC[C@H](C)N[C@@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)c1ccco1 ZINC000359543508 427902842 /nfs/dbraw/zinc/90/28/42/427902842.db2.gz NCBKGMBKJLSYFO-KKUMJFAQSA-N 1 3 323.481 2.992 20 0 DFADHO CCC[C@H](C(=O)NC[C@H]([NH2+][C@@H](C)CC)c1ccco1)N(C)C ZINC000359551141 427904704 /nfs/dbraw/zinc/90/47/04/427904704.db2.gz ZMWSGOVNSLUNGG-SOUVJXGZSA-N 1 3 309.454 2.555 20 0 DFADHO CCC[C@H](C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1)[NH+](C)C ZINC000359551141 427904706 /nfs/dbraw/zinc/90/47/06/427904706.db2.gz ZMWSGOVNSLUNGG-SOUVJXGZSA-N 1 3 309.454 2.555 20 0 DFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000355823690 427908567 /nfs/dbraw/zinc/90/85/67/427908567.db2.gz YXUZNICJNUBNEP-JKSUJKDBSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000355823690 427908573 /nfs/dbraw/zinc/90/85/73/427908573.db2.gz YXUZNICJNUBNEP-JKSUJKDBSA-N 1 3 317.477 2.741 20 0 DFADHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)C1(C(=O)OC)CCC1 ZINC000346894714 272698753 /nfs/dbraw/zinc/69/87/53/272698753.db2.gz YTIOJEHBNHWTAT-HOTGVXAUSA-N 1 3 310.482 2.962 20 0 DFADHO CC[C@H](NCC[C@H](C)[NH+]1CCCCC1)C1(C(=O)OC)CCC1 ZINC000346894714 272698754 /nfs/dbraw/zinc/69/87/54/272698754.db2.gz YTIOJEHBNHWTAT-HOTGVXAUSA-N 1 3 310.482 2.962 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340256418 427967807 /nfs/dbraw/zinc/96/78/07/427967807.db2.gz HQBXSORAQGAZAD-XKQJLSEDSA-N 1 3 304.434 2.997 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340256418 427967810 /nfs/dbraw/zinc/96/78/10/427967810.db2.gz HQBXSORAQGAZAD-XKQJLSEDSA-N 1 3 304.434 2.997 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)CCN1C ZINC000340262695 427969516 /nfs/dbraw/zinc/96/95/16/427969516.db2.gz ZVHDSLNOBZWRGE-OQIJWPOYSA-N 1 3 301.478 2.894 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000355981834 427970258 /nfs/dbraw/zinc/97/02/58/427970258.db2.gz AKPMUTAMWFWVEK-CQSZACIVSA-N 1 3 321.465 2.732 20 0 DFADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000359697169 427976602 /nfs/dbraw/zinc/97/66/02/427976602.db2.gz QTVQYTSTRBVFEJ-KRWDZBQOSA-N 1 3 304.482 2.748 20 0 DFADHO CCC[N@H+](C)C[C@@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000340288314 427978246 /nfs/dbraw/zinc/97/82/46/427978246.db2.gz IGYKDLLBOOPJOV-PMACEKPBSA-N 1 3 315.505 2.925 20 0 DFADHO CCC[N@@H+](C)C[C@@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000340288314 427978249 /nfs/dbraw/zinc/97/82/49/427978249.db2.gz IGYKDLLBOOPJOV-PMACEKPBSA-N 1 3 315.505 2.925 20 0 DFADHO CC(C)[C@H](C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)N1CCCCC1 ZINC000341047751 427978766 /nfs/dbraw/zinc/97/87/66/427978766.db2.gz BSQAQDFDUVNETL-OKZBNKHCSA-N 1 3 323.525 2.876 20 0 DFADHO CCCC[C@@H](C)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000337485326 427927135 /nfs/dbraw/zinc/92/71/35/427927135.db2.gz YUCLZOCBAVEVEM-SJORKVTESA-N 1 3 311.514 2.687 20 0 DFADHO CCCC[C@@H](C)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000337485326 427927137 /nfs/dbraw/zinc/92/71/37/427927137.db2.gz YUCLZOCBAVEVEM-SJORKVTESA-N 1 3 311.514 2.687 20 0 DFADHO CCN1CCC([NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000340181204 427947232 /nfs/dbraw/zinc/94/72/32/427947232.db2.gz MWKLCNHYTLPIFA-RBUKOAKNSA-N 1 3 301.478 2.896 20 0 DFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccncc1F ZINC000340207859 427953794 /nfs/dbraw/zinc/95/37/94/427953794.db2.gz YODADNWTHZCKSE-QLFBSQMISA-N 1 3 309.429 2.761 20 0 DFADHO C[C@@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N1CCCCCC1 ZINC000341342986 428040220 /nfs/dbraw/zinc/04/02/20/428040220.db2.gz GSFKGDIGSJVHSP-HOTGVXAUSA-N 1 3 311.514 2.734 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212302 428073622 /nfs/dbraw/zinc/07/36/22/428073622.db2.gz QCZGTFSNRFCPKG-GJZGRUSLSA-N 1 3 304.438 2.611 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212302 428073627 /nfs/dbraw/zinc/07/36/27/428073627.db2.gz QCZGTFSNRFCPKG-GJZGRUSLSA-N 1 3 304.438 2.611 20 0 DFADHO CCCn1nccc1C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000370295870 428180690 /nfs/dbraw/zinc/18/06/90/428180690.db2.gz XSFQZBAFJRXJDM-QGZVFWFLSA-N 1 3 304.482 2.957 20 0 DFADHO Cc1n[nH]c(C)c1C[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000356523062 428216599 /nfs/dbraw/zinc/21/65/99/428216599.db2.gz JMGQIBCESLRYRT-RTBURBONSA-N 1 3 324.472 2.980 20 0 DFADHO Cc1n[nH]c(C)c1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000356523062 428216603 /nfs/dbraw/zinc/21/66/03/428216603.db2.gz JMGQIBCESLRYRT-RTBURBONSA-N 1 3 324.472 2.980 20 0 DFADHO C[C@@H]1C[C@H](C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)CCO1 ZINC000352713393 428216754 /nfs/dbraw/zinc/21/67/54/428216754.db2.gz DDRCBIPJYQQRNI-YWTNHNAXSA-N 1 3 324.509 2.623 20 0 DFADHO COc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000414155498 428219289 /nfs/dbraw/zinc/21/92/89/428219289.db2.gz SXNBFUCEXMZKMZ-INIZCTEOSA-N 1 3 319.493 2.680 20 0 DFADHO Cc1cn[nH]c1CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000377764861 428223869 /nfs/dbraw/zinc/22/38/69/428223869.db2.gz ZKTXPZHILCVTBK-RCCFBDPRSA-N 1 3 310.445 2.718 20 0 DFADHO Cc1cn[nH]c1CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000377764861 428223875 /nfs/dbraw/zinc/22/38/75/428223875.db2.gz ZKTXPZHILCVTBK-RCCFBDPRSA-N 1 3 310.445 2.718 20 0 DFADHO C[C@@H]1C[C@H](NCCc2cnccn2)CC[N@@H+]1Cc1ccccc1 ZINC000341875337 428238665 /nfs/dbraw/zinc/23/86/65/428238665.db2.gz LFYKZRFTVJHXFG-SJLPKXTDSA-N 1 3 310.445 2.662 20 0 DFADHO C[C@@H]1C[C@H](NCCc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC000341875337 428238668 /nfs/dbraw/zinc/23/86/68/428238668.db2.gz LFYKZRFTVJHXFG-SJLPKXTDSA-N 1 3 310.445 2.662 20 0 DFADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000377667713 428188432 /nfs/dbraw/zinc/18/84/32/428188432.db2.gz DOTHTAAMCWFKMA-KZNAEPCWSA-N 1 3 305.441 2.645 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]CCCN2CCCC[C@@H]2C)cn1 ZINC000414075175 428198051 /nfs/dbraw/zinc/19/80/51/428198051.db2.gz XKUNWCLJLAFYAC-CVEARBPZSA-N 1 3 305.466 2.875 20 0 DFADHO COc1ccc(C[C@@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000414075175 428198054 /nfs/dbraw/zinc/19/80/54/428198054.db2.gz XKUNWCLJLAFYAC-CVEARBPZSA-N 1 3 305.466 2.875 20 0 DFADHO COc1ccc(C[C@@H](C)NCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000414075175 428198058 /nfs/dbraw/zinc/19/80/58/428198058.db2.gz XKUNWCLJLAFYAC-CVEARBPZSA-N 1 3 305.466 2.875 20 0 DFADHO CC(C)n1cc(CN(C)C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000377705236 428202122 /nfs/dbraw/zinc/20/21/22/428202122.db2.gz YWCZKZGUOIXICA-UHFFFAOYSA-N 1 3 313.449 2.960 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)CCN1C ZINC000370654440 428264583 /nfs/dbraw/zinc/26/45/83/428264583.db2.gz SXDWUJSLRVHVMF-YZGWKJHDSA-N 1 3 315.505 2.971 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(SC)s1 ZINC000352824175 428265181 /nfs/dbraw/zinc/26/51/81/428265181.db2.gz CWVWWPMPWBXCEJ-GFCCVEGCSA-N 1 3 302.509 2.916 20 0 DFADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(OCC(F)(F)F)cc1 ZINC000346694082 428278305 /nfs/dbraw/zinc/27/83/05/428278305.db2.gz RTVTYJGTRXBMFV-WCQYABFASA-N 1 3 302.340 2.797 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342080164 428295662 /nfs/dbraw/zinc/29/56/62/428295662.db2.gz FZTRCBAETDVRCI-LZWOXQAQSA-N 1 3 319.424 2.522 20 0 DFADHO CCc1nocc1CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000352886167 428295685 /nfs/dbraw/zinc/29/56/85/428295685.db2.gz OYRDSOJPUIPYBP-UHFFFAOYSA-N 1 3 314.433 2.980 20 0 DFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000370767478 428296372 /nfs/dbraw/zinc/29/63/72/428296372.db2.gz UGYYJTUKLTXHPO-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO CC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2C1 ZINC000352790272 428252300 /nfs/dbraw/zinc/25/23/00/428252300.db2.gz RLBWAXBSMGMVHR-YJLNNSPDSA-N 1 3 315.461 2.552 20 0 DFADHO CC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2C1 ZINC000352790272 428252302 /nfs/dbraw/zinc/25/23/02/428252302.db2.gz RLBWAXBSMGMVHR-YJLNNSPDSA-N 1 3 315.461 2.552 20 0 DFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000356607743 428253121 /nfs/dbraw/zinc/25/31/21/428253121.db2.gz YEJXJUWBDXVYJM-NVXWUHKLSA-N 1 3 309.498 2.630 20 0 DFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000356607743 428253124 /nfs/dbraw/zinc/25/31/24/428253124.db2.gz YEJXJUWBDXVYJM-NVXWUHKLSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1F ZINC000370624818 428257213 /nfs/dbraw/zinc/25/72/13/428257213.db2.gz QBDLXNOYFMJQOT-HIFRSBDPSA-N 1 3 323.431 2.784 20 0 DFADHO Cc1nn(-c2cccc(F)c2)cc1CNCC1CC[NH+](C)CC1 ZINC000414325666 428260048 /nfs/dbraw/zinc/26/00/48/428260048.db2.gz KUFUTFGPZZXJMB-UHFFFAOYSA-N 1 3 316.424 2.751 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000346788175 428317054 /nfs/dbraw/zinc/31/70/54/428317054.db2.gz HBMGYFPBRQHICT-FRQCXROJSA-N 1 3 319.493 2.760 20 0 DFADHO CO[C@@](C)([C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1)C1CC1 ZINC000414498666 428322411 /nfs/dbraw/zinc/32/24/11/428322411.db2.gz INBARJHBXKTIHM-KDOFPFPSSA-N 1 3 303.450 2.844 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000356827248 428326912 /nfs/dbraw/zinc/32/69/12/428326912.db2.gz ZFIPPIBNPRKVRW-HNNXBMFYSA-N 1 3 309.498 2.630 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(OCC(F)F)cc3)C[C@@H]21 ZINC000346813223 428327715 /nfs/dbraw/zinc/32/77/15/428327715.db2.gz ADAMEXVPOWTHQE-VNQPRFMTSA-N 1 3 310.388 2.890 20 0 DFADHO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000352972783 428331814 /nfs/dbraw/zinc/33/18/14/428331814.db2.gz YMWMHKZCAFYWJD-ONCXSQPRSA-N 1 3 315.505 2.827 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346826745 428335098 /nfs/dbraw/zinc/33/50/98/428335098.db2.gz MNIFVNMOTYQVDD-RYQLBKOJSA-N 1 3 310.445 2.944 20 0 DFADHO C[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@@H]1CCCOC1 ZINC000356857466 428339079 /nfs/dbraw/zinc/33/90/79/428339079.db2.gz XCEUJDIJXCNMAI-DOTOQJQBSA-N 1 3 306.450 2.532 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3c[nH]nc3-c3cccs3)C[C@@H]21 ZINC000346840335 428341882 /nfs/dbraw/zinc/34/18/82/428341882.db2.gz ZXNBWLMIBYDNKD-KWCYVHTRSA-N 1 3 302.447 2.697 20 0 DFADHO Cn1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C2CCCCC2)n1 ZINC000414765393 428397451 /nfs/dbraw/zinc/39/74/51/428397451.db2.gz FUIPCQMYKANSKY-CALCHBBNSA-N 1 3 316.493 2.899 20 0 DFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCNC[C@](C)(F)C1 ZINC000414764480 428398680 /nfs/dbraw/zinc/39/86/80/428398680.db2.gz DMWZDNMECSQXRS-IBGZPJMESA-N 1 3 321.484 2.778 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCNC[C@](C)(F)C1 ZINC000414764480 428398685 /nfs/dbraw/zinc/39/86/85/428398685.db2.gz DMWZDNMECSQXRS-IBGZPJMESA-N 1 3 321.484 2.778 20 0 DFADHO Cc1cccc2c(NCCN3CCSCC3)c(C)c[nH+]c12 ZINC000360689287 428400868 /nfs/dbraw/zinc/40/08/68/428400868.db2.gz DZAPZUQLBFBDIG-UHFFFAOYSA-N 1 3 301.459 2.734 20 0 DFADHO CC(C)N(C)c1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414773628 428402176 /nfs/dbraw/zinc/40/21/76/428402176.db2.gz DQBOIRYDEGGWKF-QZTJIDSGSA-N 1 3 316.493 2.748 20 0 DFADHO C[C@H](CC[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000414775725 428403420 /nfs/dbraw/zinc/40/34/20/428403420.db2.gz GNGDJFPAYZTOCO-SJLPKXTDSA-N 1 3 302.462 2.868 20 0 DFADHO C[C@H](CC[N@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000414775725 428403424 /nfs/dbraw/zinc/40/34/24/428403424.db2.gz GNGDJFPAYZTOCO-SJLPKXTDSA-N 1 3 302.462 2.868 20 0 DFADHO c1cc(N2CCCC2)ncc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785725 428407311 /nfs/dbraw/zinc/40/73/11/428407311.db2.gz TUTJEAGZCHCDRS-QZTJIDSGSA-N 1 3 314.477 2.503 20 0 DFADHO CCn1nc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2ccccc21 ZINC000414788176 428408954 /nfs/dbraw/zinc/40/89/54/428408954.db2.gz WJODZWNKFQMYJY-CVEARBPZSA-N 1 3 312.461 2.878 20 0 DFADHO CCn1nc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2ccccc21 ZINC000414788186 428410209 /nfs/dbraw/zinc/41/02/09/428410209.db2.gz WJODZWNKFQMYJY-JKSUJKDBSA-N 1 3 312.461 2.878 20 0 DFADHO CC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)C1(C(=O)OC)CCC1 ZINC000346894713 428363644 /nfs/dbraw/zinc/36/36/44/428363644.db2.gz YTIOJEHBNHWTAT-CVEARBPZSA-N 1 3 310.482 2.962 20 0 DFADHO CC[C@H](NCC[C@@H](C)[NH+]1CCCCC1)C1(C(=O)OC)CCC1 ZINC000346894713 428363647 /nfs/dbraw/zinc/36/36/47/428363647.db2.gz YTIOJEHBNHWTAT-CVEARBPZSA-N 1 3 310.482 2.962 20 0 DFADHO C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414670249 428371058 /nfs/dbraw/zinc/37/10/58/428371058.db2.gz CSROAWDXTGIETD-UONOGXRCSA-N 1 3 323.868 2.530 20 0 DFADHO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414670249 428371064 /nfs/dbraw/zinc/37/10/64/428371064.db2.gz CSROAWDXTGIETD-UONOGXRCSA-N 1 3 323.868 2.530 20 0 DFADHO Cc1ccccc1CN1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414684448 428376624 /nfs/dbraw/zinc/37/66/24/428376624.db2.gz VSHXEXCOUJJUMX-MSOLQXFVSA-N 1 3 301.478 2.501 20 0 DFADHO CCC1CCC([N@H+](C[C@H]2CCCN(C(=O)CN)C2)C2CC2)CC1 ZINC000414694629 428379158 /nfs/dbraw/zinc/37/91/58/428379158.db2.gz DLIWEYNRFKVJBO-CGZBRXJRSA-N 1 3 321.509 2.617 20 0 DFADHO CCC1CCC([N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C2CC2)CC1 ZINC000414694629 428379162 /nfs/dbraw/zinc/37/91/62/428379162.db2.gz DLIWEYNRFKVJBO-CGZBRXJRSA-N 1 3 321.509 2.617 20 0 DFADHO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000353081714 428380388 /nfs/dbraw/zinc/38/03/88/428380388.db2.gz OEPQHUVKVKGWIK-MISYRCLQSA-N 1 3 315.505 2.828 20 0 DFADHO C[C@@H]1C[N@H+](CCCCC(F)(F)F)CC[C@H]1N1CCN(C)CC1 ZINC000371301053 428383144 /nfs/dbraw/zinc/38/31/44/428383144.db2.gz CWZANTKCSRPXML-HUUCEWRRSA-N 1 3 321.431 2.677 20 0 DFADHO C[C@@H]1C[N@@H+](CCCCC(F)(F)F)CC[C@H]1N1CCN(C)CC1 ZINC000371301053 428383149 /nfs/dbraw/zinc/38/31/49/428383149.db2.gz CWZANTKCSRPXML-HUUCEWRRSA-N 1 3 321.431 2.677 20 0 DFADHO C[C@@H]1CN(CCCCC(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371301053 428383153 /nfs/dbraw/zinc/38/31/53/428383153.db2.gz CWZANTKCSRPXML-HUUCEWRRSA-N 1 3 321.431 2.677 20 0 DFADHO C[C@@H]1C[C@@H](CN(C)[C@@H]2CCCN(c3ccccc3)C2=O)CC[NH2+]1 ZINC000414710145 428383763 /nfs/dbraw/zinc/38/37/63/428383763.db2.gz RLZITUIHTGZTMV-SOLBZPMBSA-N 1 3 315.461 2.502 20 0 DFADHO C[C@@H]1C[C@H](CN2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414715946 428385035 /nfs/dbraw/zinc/38/50/35/428385035.db2.gz WINCYHSHUWGTQR-ATNYBXOESA-N 1 3 306.425 2.976 20 0 DFADHO Cn1c(CNCC[C@@H]2CCC[NH2+]C2)nc2cc(Cl)ccc21 ZINC000414844935 428433734 /nfs/dbraw/zinc/43/37/34/428433734.db2.gz RVIWHELKMLNNSO-LBPRGKRZSA-N 1 3 306.841 2.706 20 0 DFADHO CSC1(CNCc2cnn(C(C)(C)C)c2)CC[NH+](C)CC1 ZINC000353217132 428435117 /nfs/dbraw/zinc/43/51/17/428435117.db2.gz YNJDMAQKUMFNMW-UHFFFAOYSA-N 1 3 310.511 2.555 20 0 DFADHO COCc1ccccc1/C=C(\C)C[NH+]1C[C@@H]2CN(C)C[C@H]2C1 ZINC000353229185 428441088 /nfs/dbraw/zinc/44/10/88/428441088.db2.gz DIUSZRGWKVOYRD-RWFIREACSA-N 1 3 300.446 2.730 20 0 DFADHO NC1(C[NH2+]Cc2ccc(Br)c3cccnc23)CCC1 ZINC000414885726 428443773 /nfs/dbraw/zinc/44/37/73/428443773.db2.gz XIOGHJQJRSKRMD-UHFFFAOYSA-N 1 3 320.234 2.968 20 0 DFADHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414887148 428447535 /nfs/dbraw/zinc/44/75/35/428447535.db2.gz YXCPSXZDQVDOMS-UWVGGRQHSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@@H](C[NH3+])CN[C@@H](C)Cc1ccc(Br)cc1F ZINC000414887148 428447541 /nfs/dbraw/zinc/44/75/41/428447541.db2.gz YXCPSXZDQVDOMS-UWVGGRQHSA-N 1 3 303.219 2.704 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414902357 428452473 /nfs/dbraw/zinc/45/24/73/428452473.db2.gz HFHPHXAURHFPES-STQMWFEESA-N 1 3 309.841 2.565 20 0 DFADHO CCCN(Cc1cccc(OCCOC)c1)C1CC[NH2+]CC1 ZINC000347117677 428454761 /nfs/dbraw/zinc/45/47/61/428454761.db2.gz WYYZHYSYHCGPHZ-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO CCC[N@H+](Cc1cccc(OCCOC)c1)C1CCNCC1 ZINC000347117677 428454766 /nfs/dbraw/zinc/45/47/66/428454766.db2.gz WYYZHYSYHCGPHZ-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO CCC[N@@H+](Cc1cccc(OCCOC)c1)C1CCNCC1 ZINC000347117677 428454769 /nfs/dbraw/zinc/45/47/69/428454769.db2.gz WYYZHYSYHCGPHZ-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO CC[C@@H](C[NH+]1CCC(N(C)C[C@H](C)O)CC1)c1ccccc1 ZINC000353260986 428455416 /nfs/dbraw/zinc/45/54/16/428455416.db2.gz PJRUGIHEYYRVRI-IRXDYDNUSA-N 1 3 304.478 2.957 20 0 DFADHO COc1cc(C[NH2+][C@H](C)CN)ccc1OCc1cccs1 ZINC000414931003 428460296 /nfs/dbraw/zinc/46/02/96/428460296.db2.gz QCVJKLGAGOYFDH-GFCCVEGCSA-N 1 3 306.431 2.773 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCN1 ZINC000414944856 428464461 /nfs/dbraw/zinc/46/44/61/428464461.db2.gz HLGSNUWDFIJJNK-UKBAYJJMSA-N 1 3 301.478 2.770 20 0 DFADHO COc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])cc(Cl)c1OC ZINC000414811799 428417953 /nfs/dbraw/zinc/41/79/53/428417953.db2.gz WOPTVYZGLFPXFK-JSGCOSHPSA-N 1 3 312.841 2.964 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2CN)cc1OC ZINC000414805951 428419382 /nfs/dbraw/zinc/41/93/82/428419382.db2.gz PZXKBVKRMHGPMF-BPUTZDHNSA-N 1 3 306.450 2.742 20 0 DFADHO C[C@@H]([NH3+])CCN[C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414819842 428421192 /nfs/dbraw/zinc/42/11/92/428421192.db2.gz IKAZPCGZDSPURG-ZJUUUORDSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@@H](N)CC[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414819842 428421196 /nfs/dbraw/zinc/42/11/96/428421196.db2.gz IKAZPCGZDSPURG-ZJUUUORDSA-N 1 3 303.219 2.846 20 0 DFADHO COc1cccc(CNCC[C@@H]2CCC[NH2+]C2)c1OC(C)C ZINC000414843703 428429509 /nfs/dbraw/zinc/42/95/09/428429509.db2.gz CKGCJACSVUPAEI-HNNXBMFYSA-N 1 3 306.450 2.962 20 0 DFADHO CC(C)(C)CC(=O)N1CCC(NCC2([NH3+])CCCCC2)CC1 ZINC000414850569 428433303 /nfs/dbraw/zinc/43/33/03/428433303.db2.gz ZMYHBNLTIMREIT-UHFFFAOYSA-N 1 3 309.498 2.665 20 0 DFADHO COc1ccc(CNCCC[C@@H]2CCC[NH2+]2)c(OC(F)F)c1 ZINC000414983626 428480097 /nfs/dbraw/zinc/48/00/97/428480097.db2.gz ZWNLGHVTJYMWTP-CYBMUJFWSA-N 1 3 314.376 2.918 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CNCCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000415008011 428487860 /nfs/dbraw/zinc/48/78/60/428487860.db2.gz VLJKWJHOFMYBPG-OIISXLGYSA-N 1 3 323.431 2.626 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CNCCC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000415008011 428487867 /nfs/dbraw/zinc/48/78/67/428487867.db2.gz VLJKWJHOFMYBPG-OIISXLGYSA-N 1 3 323.431 2.626 20 0 DFADHO C[C@H](Cc1ccc(Br)c(F)c1)N[C@@H](C)[C@H](C)[NH3+] ZINC000415004833 428488892 /nfs/dbraw/zinc/48/88/92/428488892.db2.gz AGLORDCIDWWMDE-UTLUCORTSA-N 1 3 303.219 2.845 20 0 DFADHO COc1c(Br)cccc1CN[C@@H](C)CCC[NH3+] ZINC000415025397 428491598 /nfs/dbraw/zinc/49/15/98/428491598.db2.gz QWVQHEJZIIFKRY-JTQLQIEISA-N 1 3 301.228 2.675 20 0 DFADHO c1cnn(-c2cccc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2)c1 ZINC000415037692 428495427 /nfs/dbraw/zinc/49/54/27/428495427.db2.gz HDBHADHTINBRJS-MJGOQNOKSA-N 1 3 310.445 2.836 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047098 428498370 /nfs/dbraw/zinc/49/83/70/428498370.db2.gz AHAFTUJNQVKKKI-IDHHARJASA-N 1 3 320.477 2.942 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c(C)c1 ZINC000415051560 428500997 /nfs/dbraw/zinc/50/09/97/428500997.db2.gz GGAFXMGHYDXCCQ-GPMSIDNRSA-N 1 3 317.477 2.937 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)c(C)c1 ZINC000415051560 428501002 /nfs/dbraw/zinc/50/10/02/428501002.db2.gz GGAFXMGHYDXCCQ-GPMSIDNRSA-N 1 3 317.477 2.937 20 0 DFADHO CC(C)C[C@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)NCCN(C)C ZINC000347231840 428504232 /nfs/dbraw/zinc/50/42/32/428504232.db2.gz PMLGJLAJXWRUOF-RDJZCZTQSA-N 1 3 311.514 2.637 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@H](C[NH3+])C1CCCC1 ZINC000415063177 428508009 /nfs/dbraw/zinc/50/80/09/428508009.db2.gz GZGKOGIJJXDKCO-BLLLJJGKSA-N 1 3 307.413 2.650 20 0 DFADHO COc1ccccc1N1CCC(NC[C@H]([NH3+])CC(C)C)CC1 ZINC000415079271 428512589 /nfs/dbraw/zinc/51/25/89/428512589.db2.gz HTLSGKCTJVILST-OAHLLOKOSA-N 1 3 305.466 2.627 20 0 DFADHO CC(C)C[C@@H](N)C[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000415078439 428513494 /nfs/dbraw/zinc/51/34/94/428513494.db2.gz GHKVCFQLUBOPIQ-DOTOQJQBSA-N 1 3 304.482 2.570 20 0 DFADHO CC(C)C[C@@H]([NH3+])CNC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000415078439 428513497 /nfs/dbraw/zinc/51/34/97/428513497.db2.gz GHKVCFQLUBOPIQ-DOTOQJQBSA-N 1 3 304.482 2.570 20 0 DFADHO COc1ccc([C@H](CNC2CC[NH2+]CC2)N2CCCCC2)cc1 ZINC000415087972 428514523 /nfs/dbraw/zinc/51/45/23/428514523.db2.gz UJVDBGIFDJLBJT-IBGZPJMESA-N 1 3 317.477 2.564 20 0 DFADHO C[C@]1(CNCCCc2nc(-c3ccncc3)cs2)CC[NH2+]C1 ZINC000415088233 428516884 /nfs/dbraw/zinc/51/68/84/428516884.db2.gz VVMLBKFSMBIAQQ-QGZVFWFLSA-N 1 3 316.474 2.727 20 0 DFADHO CCOc1ccccc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415100479 428517554 /nfs/dbraw/zinc/51/75/54/428517554.db2.gz AKSUYLICRNFXEZ-MJGOQNOKSA-N 1 3 318.461 2.804 20 0 DFADHO C[N@@H+]1CC[C@H](NCCNC(=O)CC2CCCCC2)[C@H]2CCC[C@H]21 ZINC000353399707 428520321 /nfs/dbraw/zinc/52/03/21/428520321.db2.gz CUCXBABKKBHXPB-FGTMMUONSA-N 1 3 321.509 2.535 20 0 DFADHO C[N@H+]1CC[C@H](NCCNC(=O)CC2CCCCC2)[C@H]2CCC[C@H]21 ZINC000353399707 428520326 /nfs/dbraw/zinc/52/03/26/428520326.db2.gz CUCXBABKKBHXPB-FGTMMUONSA-N 1 3 321.509 2.535 20 0 DFADHO CC(C)(C)C[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1(C)C ZINC000415115410 428525259 /nfs/dbraw/zinc/52/52/59/428525259.db2.gz DRPMNHXBODIPHB-HZPDHXFCSA-N 1 3 323.525 2.720 20 0 DFADHO CC(C)(C)C[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1(C)C ZINC000415115410 428525262 /nfs/dbraw/zinc/52/52/62/428525262.db2.gz DRPMNHXBODIPHB-HZPDHXFCSA-N 1 3 323.525 2.720 20 0 DFADHO Clc1cccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415124936 428528503 /nfs/dbraw/zinc/52/85/03/428528503.db2.gz DBKXMTLKEKRKMY-CVEARBPZSA-N 1 3 306.837 2.540 20 0 DFADHO CN(Cc1cnc(-c2ccncc2)s1)CC1CC[NH+](C)CC1 ZINC000353419226 428528534 /nfs/dbraw/zinc/52/85/34/428528534.db2.gz BJQMGAMGVVHKPR-UHFFFAOYSA-N 1 3 316.474 2.979 20 0 DFADHO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000358235091 428590492 /nfs/dbraw/zinc/59/04/92/428590492.db2.gz HZNYDTHLBBCAND-GJZGRUSLSA-N 1 3 305.466 2.936 20 0 DFADHO CCc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415139414 428534551 /nfs/dbraw/zinc/53/45/51/428534551.db2.gz ZQJIREZIGSCFBR-MOPGFXCFSA-N 1 3 302.462 2.967 20 0 DFADHO Fc1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000415140002 428537409 /nfs/dbraw/zinc/53/74/09/428537409.db2.gz MNAHRIVCMFLFII-WZGPROSRSA-N 1 3 317.452 2.915 20 0 DFADHO C[C@H](NCC1(N(C)Cc2ccccc2)CCC1)[C@H]1CCC[NH2+]1 ZINC000400514515 428545439 /nfs/dbraw/zinc/54/54/39/428545439.db2.gz GCIRKPNSHMPPIB-FUHWJXTLSA-N 1 3 301.478 2.771 20 0 DFADHO COC[C@@H](Cc1ccccc1)[NH2+]CCCN1CCC(C)CC1 ZINC000347320972 428545941 /nfs/dbraw/zinc/54/59/41/428545941.db2.gz JSMDMQONQAUZKN-LJQANCHMSA-N 1 3 304.478 2.956 20 0 DFADHO COCCOc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000353465821 428551727 /nfs/dbraw/zinc/55/17/27/428551727.db2.gz ZLDCRVUWTKJLMC-KSZLIROESA-N 1 3 318.461 2.674 20 0 DFADHO C[C@@H]1CN(C[C@H]2CC[NH2+]C2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000404334432 428565190 /nfs/dbraw/zinc/56/51/90/428565190.db2.gz BNYYXCOVGQISFU-VXNCWWDNSA-N 1 3 301.478 2.579 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2CCF)C[C@@H](C)O1 ZINC000353499995 428567893 /nfs/dbraw/zinc/56/78/93/428567893.db2.gz FDNAMLJGXDQHCV-QBPKDAKJSA-N 1 3 300.462 2.994 20 0 DFADHO COCCNc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000353513125 428572065 /nfs/dbraw/zinc/57/20/65/428572065.db2.gz FBEQMRSVUYKSTK-IPMKNSEASA-N 1 3 317.477 2.707 20 0 DFADHO COCCNc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000353513125 428572066 /nfs/dbraw/zinc/57/20/66/428572066.db2.gz FBEQMRSVUYKSTK-IPMKNSEASA-N 1 3 317.477 2.707 20 0 DFADHO CCN(CCC[NH+](C)C)Cc1ccccc1-c1ccnn1C ZINC000353526030 428578693 /nfs/dbraw/zinc/57/86/93/428578693.db2.gz ZUXMAFMDKYRIQT-UHFFFAOYSA-N 1 3 300.450 2.861 20 0 DFADHO C[C@H]1C[C@H]1c1ccc(CN2CCC(OCC[NH+](C)C)CC2)o1 ZINC000353564526 428598421 /nfs/dbraw/zinc/59/84/21/428598421.db2.gz CSAQEACUONPNGE-WMLDXEAASA-N 1 3 306.450 2.946 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@]12CCCO2 ZINC000358562417 428607439 /nfs/dbraw/zinc/60/74/39/428607439.db2.gz GUNDHBLZOOGTKV-IPMKNSEASA-N 1 3 322.493 2.710 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@@]12CCCO2 ZINC000358562425 428607494 /nfs/dbraw/zinc/60/74/94/428607494.db2.gz GUNDHBLZOOGTKV-QRVBRYPASA-N 1 3 322.493 2.710 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)C(C)C)c1 ZINC000415930351 428630256 /nfs/dbraw/zinc/63/02/56/428630256.db2.gz ITGNFZULULDHQD-UHFFFAOYSA-N 1 3 306.454 2.600 20 0 DFADHO COCC[NH+]1CCC(N[C@H]2CSCCc3ccccc32)CC1 ZINC000154875351 274026006 /nfs/dbraw/zinc/02/60/06/274026006.db2.gz FOBURCSBDKDTHU-SFHVURJKSA-N 1 3 320.502 2.717 20 0 DFADHO C[N@H+](CCNC1CCN(CCC(F)(F)F)CC1)C1CCCC1 ZINC000358719043 428640752 /nfs/dbraw/zinc/64/07/52/428640752.db2.gz HWHMICYSCMAIBF-UHFFFAOYSA-N 1 3 321.431 2.867 20 0 DFADHO C[N@@H+](CCNC1CCN(CCC(F)(F)F)CC1)C1CCCC1 ZINC000358719043 428640757 /nfs/dbraw/zinc/64/07/57/428640757.db2.gz HWHMICYSCMAIBF-UHFFFAOYSA-N 1 3 321.431 2.867 20 0 DFADHO COCC[C@H](COC)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353642427 428635708 /nfs/dbraw/zinc/63/57/08/428635708.db2.gz LMRBAWNAFDSOHJ-YTQUADARSA-N 1 3 320.477 2.538 20 0 DFADHO COCC[C@H](COC)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353642427 428635712 /nfs/dbraw/zinc/63/57/12/428635712.db2.gz LMRBAWNAFDSOHJ-YTQUADARSA-N 1 3 320.477 2.538 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000416015631 428647972 /nfs/dbraw/zinc/64/79/72/428647972.db2.gz UBLSUSCXLOANPV-ZDUSSCGKSA-N 1 3 304.438 2.532 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000416015631 428647980 /nfs/dbraw/zinc/64/79/80/428647980.db2.gz UBLSUSCXLOANPV-ZDUSSCGKSA-N 1 3 304.438 2.532 20 0 DFADHO CC(C)N(C(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1)C(C)C ZINC000374073984 428662143 /nfs/dbraw/zinc/66/21/43/428662143.db2.gz GRIJTWDQPGCXMW-KRWDZBQOSA-N 1 3 323.525 2.828 20 0 DFADHO CC(C)N(C(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1)C(C)C ZINC000374073985 428662476 /nfs/dbraw/zinc/66/24/76/428662476.db2.gz GRIJTWDQPGCXMW-QGZVFWFLSA-N 1 3 323.525 2.828 20 0 DFADHO OC[C@@]1(c2ccccc2)CCC[N@H+](CCCN2CCCCC2)C1 ZINC000374555981 428696459 /nfs/dbraw/zinc/69/64/59/428696459.db2.gz ICMPBEDWWNBTQV-HXUWFJFHSA-N 1 3 316.489 2.889 20 0 DFADHO OC[C@@]1(c2ccccc2)CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000374555981 428696465 /nfs/dbraw/zinc/69/64/65/428696465.db2.gz ICMPBEDWWNBTQV-HXUWFJFHSA-N 1 3 316.489 2.889 20 0 DFADHO Cc1cc(C)n(CC[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 ZINC000348316423 428705320 /nfs/dbraw/zinc/70/53/20/428705320.db2.gz KDRJQZIDHVWDHR-PMACEKPBSA-N 1 3 324.472 2.564 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H](CO)c2ccccc2Cl)[C@H]2CCC[C@H]21 ZINC000348335983 428711627 /nfs/dbraw/zinc/71/16/27/428711627.db2.gz RGULGMIACNAPOU-LFVTVUPYSA-N 1 3 322.880 2.878 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H](CO)c2ccccc2Cl)[C@H]2CCC[C@H]21 ZINC000348335983 428711632 /nfs/dbraw/zinc/71/16/32/428711632.db2.gz RGULGMIACNAPOU-LFVTVUPYSA-N 1 3 322.880 2.878 20 0 DFADHO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000353795593 428719761 /nfs/dbraw/zinc/71/97/61/428719761.db2.gz NCNNEURZMNDNSF-GDBMZVCRSA-N 1 3 309.498 2.532 20 0 DFADHO CCCN1CCC([NH2+]Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC000353818353 428732716 /nfs/dbraw/zinc/73/27/16/428732716.db2.gz PAIZSIJVEOPQHD-OAQYLSRUSA-N 1 3 308.491 2.529 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000348258318 428682912 /nfs/dbraw/zinc/68/29/12/428682912.db2.gz AARYFQJTLCBBMX-KVPLUYHFSA-N 1 3 315.505 2.969 20 0 DFADHO C[N@H+](CC1CC1)C[C@H]1CCN(CCCCCn2cccn2)C1 ZINC000348264919 428685138 /nfs/dbraw/zinc/68/51/38/428685138.db2.gz BXEOIMNNQYYPAU-GOSISDBHSA-N 1 3 304.482 2.717 20 0 DFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CCCCCn2cccn2)C1 ZINC000348264919 428685140 /nfs/dbraw/zinc/68/51/40/428685140.db2.gz BXEOIMNNQYYPAU-GOSISDBHSA-N 1 3 304.482 2.717 20 0 DFADHO CN(CC1CC1)C[C@H]1CC[N@H+](CCCCCn2cccn2)C1 ZINC000348264919 428685146 /nfs/dbraw/zinc/68/51/46/428685146.db2.gz BXEOIMNNQYYPAU-GOSISDBHSA-N 1 3 304.482 2.717 20 0 DFADHO CN(CC1CC1)C[C@H]1CC[N@@H+](CCCCCn2cccn2)C1 ZINC000348264919 428685151 /nfs/dbraw/zinc/68/51/51/428685151.db2.gz BXEOIMNNQYYPAU-GOSISDBHSA-N 1 3 304.482 2.717 20 0 DFADHO C[N@H+](C[C@@H]1CC12CCN(Cc1ccc(F)nc1)CC2)C1CC1 ZINC000375298132 428845335 /nfs/dbraw/zinc/84/53/35/428845335.db2.gz SKILRXWGLSHGGC-HNNXBMFYSA-N 1 3 303.425 2.917 20 0 DFADHO C[N@@H+](C[C@@H]1CC12CCN(Cc1ccc(F)nc1)CC2)C1CC1 ZINC000375298132 428845342 /nfs/dbraw/zinc/84/53/42/428845342.db2.gz SKILRXWGLSHGGC-HNNXBMFYSA-N 1 3 303.425 2.917 20 0 DFADHO CC[C@H]1C[N@H+](Cc2cccc(CN3CCCCC3)c2)C[C@@H]1O ZINC000411424748 428794536 /nfs/dbraw/zinc/79/45/36/428794536.db2.gz NQEVYSYXPWYKJI-OALUTQOASA-N 1 3 302.462 2.875 20 0 DFADHO CC[C@H]1C[N@@H+](Cc2cccc(CN3CCCCC3)c2)C[C@@H]1O ZINC000411424748 428794542 /nfs/dbraw/zinc/79/45/42/428794542.db2.gz NQEVYSYXPWYKJI-OALUTQOASA-N 1 3 302.462 2.875 20 0 DFADHO CC[C@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1O ZINC000411424748 428794547 /nfs/dbraw/zinc/79/45/47/428794547.db2.gz NQEVYSYXPWYKJI-OALUTQOASA-N 1 3 302.462 2.875 20 0 DFADHO C[N@H+](CCc1cncs1)CC1CCN(c2ccncc2)CC1 ZINC000411432644 428796834 /nfs/dbraw/zinc/79/68/34/428796834.db2.gz WTGYKTRTRBVDAK-UHFFFAOYSA-N 1 3 316.474 2.929 20 0 DFADHO C[N@@H+](CCc1cncs1)CC1CCN(c2ccncc2)CC1 ZINC000411432644 428796837 /nfs/dbraw/zinc/79/68/37/428796837.db2.gz WTGYKTRTRBVDAK-UHFFFAOYSA-N 1 3 316.474 2.929 20 0 DFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)N(CC)CC ZINC000345198833 428796930 /nfs/dbraw/zinc/79/69/30/428796930.db2.gz BGEHPKYAUZARKO-DLBZAZTESA-N 1 3 311.514 2.878 20 0 DFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)N(CC)CC ZINC000345198833 428796933 /nfs/dbraw/zinc/79/69/33/428796933.db2.gz BGEHPKYAUZARKO-DLBZAZTESA-N 1 3 311.514 2.878 20 0 DFADHO C[C@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000411438919 428797682 /nfs/dbraw/zinc/79/76/82/428797682.db2.gz CYNYWVRFNRZODA-QFBILLFUSA-N 1 3 302.462 2.875 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)N(C)C ZINC000362806358 428806157 /nfs/dbraw/zinc/80/61/57/428806157.db2.gz NHHUAUPTOYIPCI-FUHWJXTLSA-N 1 3 303.494 2.827 20 0 DFADHO C[C@@H](NCCC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411515675 428807965 /nfs/dbraw/zinc/80/79/65/428807965.db2.gz IGFCAYXGLBPHAQ-CABCVRRESA-N 1 3 310.482 2.961 20 0 DFADHO C[C@@H](NCCC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411515675 428807972 /nfs/dbraw/zinc/80/79/72/428807972.db2.gz IGFCAYXGLBPHAQ-CABCVRRESA-N 1 3 310.482 2.961 20 0 DFADHO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000411515675 428807974 /nfs/dbraw/zinc/80/79/74/428807974.db2.gz IGFCAYXGLBPHAQ-CABCVRRESA-N 1 3 310.482 2.961 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)N(C)C)CCN1Cc1ccccc1 ZINC000359113293 428822516 /nfs/dbraw/zinc/82/25/16/428822516.db2.gz IKIIHHXBDIHNCR-AHRSYUTCSA-N 1 3 315.505 2.969 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000375229829 428826596 /nfs/dbraw/zinc/82/65/96/428826596.db2.gz POYJSAVQOQAWHL-APWZRJJASA-N 1 3 310.445 2.707 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000375229829 428826597 /nfs/dbraw/zinc/82/65/97/428826597.db2.gz POYJSAVQOQAWHL-APWZRJJASA-N 1 3 310.445 2.707 20 0 DFADHO c1ccc2c(NC[C@@H]3CCC[C@H]3N3CCOCC3)cc[nH+]c2c1 ZINC000363007857 428842384 /nfs/dbraw/zinc/84/23/84/428842384.db2.gz PBJKRRAKAUMGPQ-HNAYVOBHSA-N 1 3 311.429 2.570 20 0 DFADHO Cc1cccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000348839618 428855120 /nfs/dbraw/zinc/85/51/20/428855120.db2.gz WZCHLTCXBSKLEV-UHFFFAOYSA-N 1 3 315.505 2.845 20 0 DFADHO CC(C)[C@@H](C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)N(C)C ZINC000363089508 428857094 /nfs/dbraw/zinc/85/70/94/428857094.db2.gz ICCQHBBSSMRYEN-VJFUWPCTSA-N 1 3 323.525 2.732 20 0 DFADHO CC(C)[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000354095190 428860677 /nfs/dbraw/zinc/86/06/77/428860677.db2.gz YXNLJOSJYZRIAX-FUHWJXTLSA-N 1 3 323.456 2.744 20 0 DFADHO CC(C)[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000354095190 428860681 /nfs/dbraw/zinc/86/06/81/428860681.db2.gz YXNLJOSJYZRIAX-FUHWJXTLSA-N 1 3 323.456 2.744 20 0 DFADHO CN(CCC1CC[NH2+]CC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000359223937 428875681 /nfs/dbraw/zinc/87/56/81/428875681.db2.gz RHBUCAKNTXUZAQ-SFHVURJKSA-N 1 3 315.461 2.504 20 0 DFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC000349040484 428905712 /nfs/dbraw/zinc/90/57/12/428905712.db2.gz ASCNIEVQWVRNLQ-SJORKVTESA-N 1 3 309.498 2.632 20 0 DFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC000349040484 428905716 /nfs/dbraw/zinc/90/57/16/428905716.db2.gz ASCNIEVQWVRNLQ-SJORKVTESA-N 1 3 309.498 2.632 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(F)cc1 ZINC000349080150 428914015 /nfs/dbraw/zinc/91/40/15/428914015.db2.gz SLEPTPVPGPLJER-SFHVURJKSA-N 1 3 307.457 2.674 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(F)cc1 ZINC000349080150 428914021 /nfs/dbraw/zinc/91/40/21/428914021.db2.gz SLEPTPVPGPLJER-SFHVURJKSA-N 1 3 307.457 2.674 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccccc1C ZINC000349077820 428914779 /nfs/dbraw/zinc/91/47/79/428914779.db2.gz QGOHQIUYEAZZQS-LJQANCHMSA-N 1 3 303.494 2.843 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccccc1C ZINC000349077820 428914785 /nfs/dbraw/zinc/91/47/85/428914785.db2.gz QGOHQIUYEAZZQS-LJQANCHMSA-N 1 3 303.494 2.843 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)[C@H]2CCC[C@@H]21 ZINC000375788565 428971064 /nfs/dbraw/zinc/97/10/64/428971064.db2.gz JAYQVJDCYSWUNS-RDBSUJKOSA-N 1 3 311.376 2.645 20 0 DFADHO COc1ccc([C@H](O)[C@@H]2CCC[N@@H+]2CCCN2CCCC2)cc1 ZINC000363458698 428919466 /nfs/dbraw/zinc/91/94/66/428919466.db2.gz ACZWXJRZPHURQK-OALUTQOASA-N 1 3 318.461 2.679 20 0 DFADHO COc1ccc([C@H](O)[C@@H]2CCC[N@H+]2CCCN2CCCC2)cc1 ZINC000363458698 428919471 /nfs/dbraw/zinc/91/94/71/428919471.db2.gz ACZWXJRZPHURQK-OALUTQOASA-N 1 3 318.461 2.679 20 0 DFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000359332257 428924777 /nfs/dbraw/zinc/92/47/77/428924777.db2.gz REDHRYVQIQTCDT-WMZOPIPTSA-N 1 3 321.509 2.774 20 0 DFADHO CCN(C)c1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000349191188 428936858 /nfs/dbraw/zinc/93/68/58/428936858.db2.gz NWLUZLBYBXUICV-SFHVURJKSA-N 1 3 316.493 2.701 20 0 DFADHO COC(=O)[C@@H](C)C[N@@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000375673339 428937375 /nfs/dbraw/zinc/93/73/75/428937375.db2.gz FPODCWWEHKMPFV-FUHWJXTLSA-N 1 3 318.461 2.782 20 0 DFADHO COC(=O)[C@@H](C)C[N@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000375673339 428937379 /nfs/dbraw/zinc/93/73/79/428937379.db2.gz FPODCWWEHKMPFV-FUHWJXTLSA-N 1 3 318.461 2.782 20 0 DFADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375677905 428940377 /nfs/dbraw/zinc/94/03/77/428940377.db2.gz IYGWGNPXWIUHMB-IEBWSBKVSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375677905 428940381 /nfs/dbraw/zinc/94/03/81/428940381.db2.gz IYGWGNPXWIUHMB-IEBWSBKVSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@@H](CC[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1 ZINC000375716540 428951245 /nfs/dbraw/zinc/95/12/45/428951245.db2.gz CKFLSFVZGFBTRO-HKUYNNGSSA-N 1 3 315.505 2.938 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@H](O)c1cccc(Cl)c1)C2 ZINC000375765434 428966593 /nfs/dbraw/zinc/96/65/93/428966593.db2.gz VTGCRJHMPGGQGC-WFVVYAPDSA-N 1 3 308.853 2.930 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@H](O)c1cccc(Cl)c1)C2 ZINC000375765434 428966597 /nfs/dbraw/zinc/96/65/97/428966597.db2.gz VTGCRJHMPGGQGC-WFVVYAPDSA-N 1 3 308.853 2.930 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCCNC2)c(C)c1OC ZINC000423545869 428967695 /nfs/dbraw/zinc/96/76/95/428967695.db2.gz DXCJSRHSUAPKHG-BBRMVZONSA-N 1 3 306.450 2.675 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000423797564 429022310 /nfs/dbraw/zinc/02/23/10/429022310.db2.gz HXVLVSPADVOSPO-NXHRZFHOSA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000423797564 429022313 /nfs/dbraw/zinc/02/23/13/429022313.db2.gz HXVLVSPADVOSPO-NXHRZFHOSA-N 1 3 317.477 2.559 20 0 DFADHO C[N@H+](CCNC(=O)[C@H]1CCCCN1C1CCCC1)C1CCCC1 ZINC000433343970 429025287 /nfs/dbraw/zinc/02/52/87/429025287.db2.gz PTXQJDSQTOIDIP-GOSISDBHSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@@H+](CCNC(=O)[C@H]1CCCCN1C1CCCC1)C1CCCC1 ZINC000433343970 429025291 /nfs/dbraw/zinc/02/52/91/429025291.db2.gz PTXQJDSQTOIDIP-GOSISDBHSA-N 1 3 321.509 2.774 20 0 DFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000433359695 429028599 /nfs/dbraw/zinc/02/85/99/429028599.db2.gz CWFAXQRUFSYDMT-NXHRZFHOSA-N 1 3 321.509 2.773 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375782949 428973147 /nfs/dbraw/zinc/97/31/47/428973147.db2.gz PEJUYUXLBGTHPB-AXUOBQJMSA-N 1 3 318.461 2.925 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375782949 428973150 /nfs/dbraw/zinc/97/31/50/428973150.db2.gz PEJUYUXLBGTHPB-AXUOBQJMSA-N 1 3 318.461 2.925 20 0 DFADHO CON1CCC([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000421399054 428992810 /nfs/dbraw/zinc/99/28/10/428992810.db2.gz PJGFOIDWYGGSMB-YJBOKZPZSA-N 1 3 309.498 2.645 20 0 DFADHO CON1CCC(NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000421399054 428992813 /nfs/dbraw/zinc/99/28/13/428992813.db2.gz PJGFOIDWYGGSMB-YJBOKZPZSA-N 1 3 309.498 2.645 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000423750257 429009500 /nfs/dbraw/zinc/00/95/00/429009500.db2.gz XHVREILWFBFAQP-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO C[C@H](CCCC[NH3+])N[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000423438643 429089190 /nfs/dbraw/zinc/08/91/90/429089190.db2.gz ROJYXDNFLIYZBR-DYVFJYSZSA-N 1 3 304.413 2.756 20 0 DFADHO CC1(C)CCCN[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000423438809 429089760 /nfs/dbraw/zinc/08/97/60/429089760.db2.gz NLFMAYJTXQQLQN-KRWDZBQOSA-N 1 3 321.509 2.678 20 0 DFADHO CC[C@H]([NH3+])CN[C@H](C)Cc1ccc(F)cc1Br ZINC000423486632 429095693 /nfs/dbraw/zinc/09/56/93/429095693.db2.gz ZUBLUQHYLWLPOI-SKDRFNHKSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000423847316 429035990 /nfs/dbraw/zinc/03/59/90/429035990.db2.gz PZQOQFPVSBJWPU-SZVBFZGTSA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423283333 429055682 /nfs/dbraw/zinc/05/56/82/429055682.db2.gz XATNFWNPTLTRIG-PBHICJAKSA-N 1 3 316.449 2.633 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423279976 429055769 /nfs/dbraw/zinc/05/57/69/429055769.db2.gz TWCQUQGWOARXJU-IAOVAPTHSA-N 1 3 310.869 2.875 20 0 DFADHO CCCC[C@H](CN)[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000423303159 429059591 /nfs/dbraw/zinc/05/95/91/429059591.db2.gz WQRTWWINDNUKAG-SWLSCSKDSA-N 1 3 307.438 2.822 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000423309588 429059665 /nfs/dbraw/zinc/05/96/65/429059665.db2.gz QGVOFFCCGMCCCI-HNAYVOBHSA-N 1 3 323.440 2.711 20 0 DFADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2(N)CCC2)c2ccccc21 ZINC000423316633 429062219 /nfs/dbraw/zinc/06/22/19/429062219.db2.gz BXTAVKBMEYRMRH-HOTGVXAUSA-N 1 3 302.418 2.639 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423318638 429062263 /nfs/dbraw/zinc/06/22/63/429062263.db2.gz CRKKXADVAJOQEW-IXDOHACOSA-N 1 3 323.525 2.639 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423318638 429062267 /nfs/dbraw/zinc/06/22/67/429062267.db2.gz CRKKXADVAJOQEW-IXDOHACOSA-N 1 3 323.525 2.639 20 0 DFADHO C[C@@H](Cc1ccc(F)cc1Br)NC[C@@H]([NH3+])C1CC1 ZINC000423311548 429062408 /nfs/dbraw/zinc/06/24/08/429062408.db2.gz BYPNQQKDWJNTJA-LKFCYVNXSA-N 1 3 315.230 2.846 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1 ZINC000423335067 429068381 /nfs/dbraw/zinc/06/83/81/429068381.db2.gz TXRUFKSOQUDGII-ILXRZTDVSA-N 1 3 303.450 2.699 20 0 DFADHO C[C@H](CNC(=O)[C@@H](N)CC1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000423343727 429069234 /nfs/dbraw/zinc/06/92/34/429069234.db2.gz XDKJXSABGZSVPN-INMHGKMJSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H](CNC(=O)[C@@H](N)CC1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000423343727 429069236 /nfs/dbraw/zinc/06/92/36/429069236.db2.gz XDKJXSABGZSVPN-INMHGKMJSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H](N)C3CCC3)cc2)C1 ZINC000423341360 429069363 /nfs/dbraw/zinc/06/93/63/429069363.db2.gz UFSFLZBROHOUDQ-RDTXWAMCSA-N 1 3 315.461 2.984 20 0 DFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H](N)C3CCC3)cc2)C1 ZINC000423341360 429069366 /nfs/dbraw/zinc/06/93/66/429069366.db2.gz UFSFLZBROHOUDQ-RDTXWAMCSA-N 1 3 315.461 2.984 20 0 DFADHO CC(C)[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000423361631 429072986 /nfs/dbraw/zinc/07/29/86/429072986.db2.gz AKCIEMOIJVTGMI-RBOXIYTFSA-N 1 3 303.406 2.818 20 0 DFADHO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCCOC1 ZINC000423369278 429075025 /nfs/dbraw/zinc/07/50/25/429075025.db2.gz OASCIALIURPWCI-KDQZPGIASA-N 1 3 324.415 2.815 20 0 DFADHO CN1CC[C@H](C[N@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000434183431 429076455 /nfs/dbraw/zinc/07/64/55/429076455.db2.gz NHKLKGBBSGAJMY-PKOBYXMFSA-N 1 3 318.461 2.628 20 0 DFADHO CN1CC[C@H](C[N@@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000434183431 429076457 /nfs/dbraw/zinc/07/64/57/429076457.db2.gz NHKLKGBBSGAJMY-PKOBYXMFSA-N 1 3 318.461 2.628 20 0 DFADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423382130 429077703 /nfs/dbraw/zinc/07/77/03/429077703.db2.gz DGHKTKYIETUFPB-AXAPSJFSSA-N 1 3 323.278 2.894 20 0 DFADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CCc2cccc(Br)c2C1 ZINC000423382130 429077706 /nfs/dbraw/zinc/07/77/06/429077706.db2.gz DGHKTKYIETUFPB-AXAPSJFSSA-N 1 3 323.278 2.894 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)cc1OC ZINC000423407427 429082388 /nfs/dbraw/zinc/08/23/88/429082388.db2.gz VTSKGGZUOKVCIZ-IJEWVQPXSA-N 1 3 306.450 2.531 20 0 DFADHO COc1cc(C)c(C[C@H](C)N[C@@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000423407427 429082389 /nfs/dbraw/zinc/08/23/89/429082389.db2.gz VTSKGGZUOKVCIZ-IJEWVQPXSA-N 1 3 306.450 2.531 20 0 DFADHO COC[C@@]1(C[NH2+][C@@H](C)CCc2c(F)cccc2F)CCCN1 ZINC000423415688 429085034 /nfs/dbraw/zinc/08/50/34/429085034.db2.gz PEZXVVAZBBVEBI-GUYCJALGSA-N 1 3 312.404 2.644 20 0 DFADHO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)[C@H](N)c2ccccc2)CC[N@@H+]1C ZINC000423424634 429085696 /nfs/dbraw/zinc/08/56/96/429085696.db2.gz NGURVHAGXQIFHM-DJIMGWMZSA-N 1 3 317.477 2.654 20 0 DFADHO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)[C@H](N)c2ccccc2)CC[N@H+]1C ZINC000423424634 429085700 /nfs/dbraw/zinc/08/57/00/429085700.db2.gz NGURVHAGXQIFHM-DJIMGWMZSA-N 1 3 317.477 2.654 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCCN1C1CC1)[NH+]1CCCCC1 ZINC000434443451 429087005 /nfs/dbraw/zinc/08/70/05/429087005.db2.gz YUZGSBKPJGZKBZ-ZWKOTPCHSA-N 1 3 321.509 2.630 20 0 DFADHO COC[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423428994 429087286 /nfs/dbraw/zinc/08/72/86/429087286.db2.gz HAMMENDBZJIRAL-XKQJLSEDSA-N 1 3 310.388 2.630 20 0 DFADHO CCN(CCC(=O)Nc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435619909 429152541 /nfs/dbraw/zinc/15/25/41/429152541.db2.gz XMQZDGUIDWGWAR-INIZCTEOSA-N 1 3 307.413 2.618 20 0 DFADHO CC[N@H+](CCC(=O)Nc1ccc(F)cc1)[C@H]1CCCNCC1 ZINC000435619909 429152547 /nfs/dbraw/zinc/15/25/47/429152547.db2.gz XMQZDGUIDWGWAR-INIZCTEOSA-N 1 3 307.413 2.618 20 0 DFADHO CC[N@@H+](CCC(=O)Nc1ccc(F)cc1)[C@H]1CCCNCC1 ZINC000435619909 429152549 /nfs/dbraw/zinc/15/25/49/429152549.db2.gz XMQZDGUIDWGWAR-INIZCTEOSA-N 1 3 307.413 2.618 20 0 DFADHO CCN(CCC(=O)Nc1cccc(F)c1C)[C@@H]1CCC[NH2+]CC1 ZINC000435626833 429155310 /nfs/dbraw/zinc/15/53/10/429155310.db2.gz LOIBDZNWGQONMH-OAHLLOKOSA-N 1 3 321.440 2.927 20 0 DFADHO CC[N@H+](CCC(=O)Nc1cccc(F)c1C)[C@@H]1CCCNCC1 ZINC000435626833 429155314 /nfs/dbraw/zinc/15/53/14/429155314.db2.gz LOIBDZNWGQONMH-OAHLLOKOSA-N 1 3 321.440 2.927 20 0 DFADHO CC[N@@H+](CCC(=O)Nc1cccc(F)c1C)[C@@H]1CCCNCC1 ZINC000435626833 429155317 /nfs/dbraw/zinc/15/53/17/429155317.db2.gz LOIBDZNWGQONMH-OAHLLOKOSA-N 1 3 321.440 2.927 20 0 DFADHO C[C@@H]1C[C@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CCN1C ZINC000424139052 429098435 /nfs/dbraw/zinc/09/84/35/429098435.db2.gz DVAPAQPXHNYHTQ-HYVNUMGLSA-N 1 3 309.498 2.663 20 0 DFADHO Clc1ccc([C@@H]2CC[C@H](NC[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000423494981 429099112 /nfs/dbraw/zinc/09/91/12/429099112.db2.gz TULJFMICBMHIKL-HYVNUMGLSA-N 1 3 308.853 2.944 20 0 DFADHO COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CNC[C@H]1c1ccccc1)C2 ZINC000423506458 429100372 /nfs/dbraw/zinc/10/03/72/429100372.db2.gz HUDRGLHBTGVUFH-YZGWKJHDSA-N 1 3 322.452 2.898 20 0 DFADHO CN(CCN(C)C1CC1)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424164437 429103143 /nfs/dbraw/zinc/10/31/43/429103143.db2.gz CIBXWYGHFXBMRU-INIZCTEOSA-N 1 3 309.498 2.617 20 0 DFADHO CN1CC[C@@H]2CCN(C(=O)CC[C@@H]([NH3+])CC3CCCCC3)[C@@H]2C1 ZINC000424175345 429104268 /nfs/dbraw/zinc/10/42/68/429104268.db2.gz PRPFQPYAWFDBLO-KZNAEPCWSA-N 1 3 321.509 2.617 20 0 DFADHO CN1CC[C@@H]2CCN(C(=O)CC[C@H]([NH3+])CC3CCCCC3)[C@H]2C1 ZINC000424175346 429105482 /nfs/dbraw/zinc/10/54/82/429105482.db2.gz PRPFQPYAWFDBLO-SQNIBIBYSA-N 1 3 321.509 2.617 20 0 DFADHO c1ccc([C@@H]2CNC[C@H]2[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000423525657 429108348 /nfs/dbraw/zinc/10/83/48/429108348.db2.gz KUKCJPIUTYDLDW-LTFPLMDUSA-N 1 3 314.473 2.927 20 0 DFADHO CN(C)C[C@@H]1CCCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424197655 429108594 /nfs/dbraw/zinc/10/85/94/429108594.db2.gz WPNBTQVYCAYDHQ-IRXDYDNUSA-N 1 3 309.498 2.617 20 0 DFADHO COc1cc(NC(C)=O)ccc1[C@@H](C)NCCC1=CC[NH2+]CC1 ZINC000423534772 429110331 /nfs/dbraw/zinc/11/03/31/429110331.db2.gz AWHXWKFJNXGPTH-CYBMUJFWSA-N 1 3 317.433 2.614 20 0 DFADHO COc1ccccc1NC(=O)C[C@@H](C)N[C@H](C[NH3+])C1CCCC1 ZINC000423535019 429111610 /nfs/dbraw/zinc/11/16/10/429111610.db2.gz XASJBETYPUVRKK-CZUORRHYSA-N 1 3 319.449 2.519 20 0 DFADHO CCC(CC)[C@@H](CNC1CC(CC(=O)OC)C1)[NH+]1CCCC1 ZINC000424266458 429116042 /nfs/dbraw/zinc/11/60/42/429116042.db2.gz LBCFMMSMIYMPAD-BDVYOWHSSA-N 1 3 310.482 2.818 20 0 DFADHO CCCN1CCC([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435129501 429126118 /nfs/dbraw/zinc/12/61/18/429126118.db2.gz MSGUKSOVTFRWMM-UHFFFAOYSA-N 1 3 302.422 2.976 20 0 DFADHO CCCN1CCC([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435129501 429126120 /nfs/dbraw/zinc/12/61/20/429126120.db2.gz MSGUKSOVTFRWMM-UHFFFAOYSA-N 1 3 302.422 2.976 20 0 DFADHO CCOC(=O)CC(C)(C)CCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000376515810 429126437 /nfs/dbraw/zinc/12/64/37/429126437.db2.gz VAZSEXKSHDRGKH-INIZCTEOSA-N 1 3 310.482 2.774 20 0 DFADHO CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000376515810 429126441 /nfs/dbraw/zinc/12/64/41/429126441.db2.gz VAZSEXKSHDRGKH-INIZCTEOSA-N 1 3 310.482 2.774 20 0 DFADHO CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000376515810 429126444 /nfs/dbraw/zinc/12/64/44/429126444.db2.gz VAZSEXKSHDRGKH-INIZCTEOSA-N 1 3 310.482 2.774 20 0 DFADHO N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000424333693 429128476 /nfs/dbraw/zinc/12/84/76/429128476.db2.gz MKJZAAFEQSUKNQ-ZIAGYGMSSA-N 1 3 302.340 2.944 20 0 DFADHO C[C@H]1CC2(CN1Cc1ccnn1-c1ccccc1)CC[NH2+]CC2 ZINC000424388032 429134107 /nfs/dbraw/zinc/13/41/07/429134107.db2.gz YZABUWZLXCVNSL-INIZCTEOSA-N 1 3 310.445 2.836 20 0 DFADHO C[NH2+]C[C@H]1CCCN(C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000435369886 429134254 /nfs/dbraw/zinc/13/42/54/429134254.db2.gz GKAYJBGRKCZYNY-GOEBONIOSA-N 1 3 308.441 2.944 20 0 DFADHO CCN(Cc1ccc(-n2cncn2)c(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435381877 429135859 /nfs/dbraw/zinc/13/58/59/429135859.db2.gz WJDIHKQCQYNKCB-QGZVFWFLSA-N 1 3 313.449 2.540 20 0 DFADHO c1ccc(CN2CCC3(CC[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC000364080947 429167602 /nfs/dbraw/zinc/16/76/02/429167602.db2.gz JNJHCEWTVMHSKB-UHFFFAOYSA-N 1 3 322.456 2.965 20 0 DFADHO c1ccc(CN2CCC3(CC[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC000364080947 429167608 /nfs/dbraw/zinc/16/76/08/429167608.db2.gz JNJHCEWTVMHSKB-UHFFFAOYSA-N 1 3 322.456 2.965 20 0 DFADHO CC(C)[C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)N(C)C ZINC000364188683 429173567 /nfs/dbraw/zinc/17/35/67/429173567.db2.gz GBCZPTRFLUULGZ-GOSISDBHSA-N 1 3 323.525 2.734 20 0 DFADHO COCC[NH+]1CCC(NCc2cc3c(cccc3F)[nH]2)CC1 ZINC000436277560 429192903 /nfs/dbraw/zinc/19/29/03/429192903.db2.gz ZDAUUTFXSQBTPI-UHFFFAOYSA-N 1 3 305.397 2.507 20 0 DFADHO COc1ccc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000436272618 429193958 /nfs/dbraw/zinc/19/39/58/429193958.db2.gz HLGUSYPDRGYWCK-IYBDPMFKSA-N 1 3 305.466 2.938 20 0 DFADHO COc1ccc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000436272618 429193961 /nfs/dbraw/zinc/19/39/61/429193961.db2.gz HLGUSYPDRGYWCK-IYBDPMFKSA-N 1 3 305.466 2.938 20 0 DFADHO [NH3+]CC[C@H]1CCCN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000442929549 429240414 /nfs/dbraw/zinc/24/04/14/429240414.db2.gz ROKWSZVKZYYWIA-LLVKDONJSA-N 1 3 302.340 2.988 20 0 DFADHO [NH3+]CC[C@@H]1CCCN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000442929550 429241198 /nfs/dbraw/zinc/24/11/98/429241198.db2.gz ROKWSZVKZYYWIA-NSHDSACASA-N 1 3 302.340 2.988 20 0 DFADHO [NH3+]CC[C@H]1CCCN(Cc2c(F)cccc2N2CCCC2)C1 ZINC000442925377 429241206 /nfs/dbraw/zinc/24/12/06/429241206.db2.gz VERTWVJEMHJDPB-OAHLLOKOSA-N 1 3 305.441 2.987 20 0 DFADHO CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000425331096 429265542 /nfs/dbraw/zinc/26/55/42/429265542.db2.gz AJIVLXXRWBAZCW-MSOLQXFVSA-N 1 3 320.502 2.627 20 0 DFADHO COCC[N@H+](C)CCCNCc1cc2ccccc2c(OC)c1 ZINC000449080051 429327162 /nfs/dbraw/zinc/32/71/62/429327162.db2.gz SFXNLTJEJAZTTE-UHFFFAOYSA-N 1 3 316.445 2.906 20 0 DFADHO COCC[N@@H+](C)CCCNCc1cc2ccccc2c(OC)c1 ZINC000449080051 429327164 /nfs/dbraw/zinc/32/71/64/429327164.db2.gz SFXNLTJEJAZTTE-UHFFFAOYSA-N 1 3 316.445 2.906 20 0 DFADHO CN[C@H](CC(C)(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000449098595 429330573 /nfs/dbraw/zinc/33/05/73/429330573.db2.gz KAQQUDJFOXLEJS-HUUCEWRRSA-N 1 3 311.514 2.637 20 0 DFADHO CN[C@H](CC(C)(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000449098595 429330578 /nfs/dbraw/zinc/33/05/78/429330578.db2.gz KAQQUDJFOXLEJS-HUUCEWRRSA-N 1 3 311.514 2.637 20 0 DFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000449098595 429330583 /nfs/dbraw/zinc/33/05/83/429330583.db2.gz KAQQUDJFOXLEJS-HUUCEWRRSA-N 1 3 311.514 2.637 20 0 DFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000449105041 429333759 /nfs/dbraw/zinc/33/37/59/429333759.db2.gz BVLHHYXXUHUVTM-SJORKVTESA-N 1 3 319.493 2.738 20 0 DFADHO CNC(=O)CCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449101492 429333810 /nfs/dbraw/zinc/33/38/10/429333810.db2.gz FLIUIJFBBVMMSA-UHFFFAOYSA-N 1 3 311.514 2.781 20 0 DFADHO CN1CCC(N2CCC([NH2+][C@H]3CCCC34CCC4)CC2)CC1 ZINC000449108079 429334416 /nfs/dbraw/zinc/33/44/16/429334416.db2.gz PMISXMQLDDQGOG-SFHVURJKSA-N 1 3 305.510 2.857 20 0 DFADHO CO[C@@H](CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000425425297 429293249 /nfs/dbraw/zinc/29/32/49/429293249.db2.gz YBOLOJINPACHBG-MJGOQNOKSA-N 1 3 302.462 2.865 20 0 DFADHO CO[C@@H](CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000425425297 429293254 /nfs/dbraw/zinc/29/32/54/429293254.db2.gz YBOLOJINPACHBG-MJGOQNOKSA-N 1 3 302.462 2.865 20 0 DFADHO COc1cc(F)cc(CNCC2(SC)CC[NH+](C)CC2)c1 ZINC000449334509 429390945 /nfs/dbraw/zinc/39/09/45/429390945.db2.gz JTKOIVCHKZIJBZ-UHFFFAOYSA-N 1 3 312.454 2.751 20 0 DFADHO COc1cc(F)cc(C[NH2+]CC2(SC)CCN(C)CC2)c1 ZINC000449334509 429390950 /nfs/dbraw/zinc/39/09/50/429390950.db2.gz JTKOIVCHKZIJBZ-UHFFFAOYSA-N 1 3 312.454 2.751 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCO[C@@H]2C)CC1 ZINC000449336284 429391263 /nfs/dbraw/zinc/39/12/63/429391263.db2.gz MPQPMENCLDXKDK-FRQCXROJSA-N 1 3 302.462 2.849 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCSC3)CC2)C[C@H](C)O1 ZINC000365869931 429391356 /nfs/dbraw/zinc/39/13/56/429391356.db2.gz DDJIADLQMYUFAX-UXLLHSPISA-N 1 3 312.523 2.561 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CC4=CCOCC4)[C@H]3C2)cc1 ZINC000449402731 429406252 /nfs/dbraw/zinc/40/62/52/429406252.db2.gz NDBMAXUSWHFTHN-SLFFLAALSA-N 1 3 312.457 2.833 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCC4=CCOCC4)[C@H]3C2)cc1 ZINC000449402731 429406255 /nfs/dbraw/zinc/40/62/55/429406255.db2.gz NDBMAXUSWHFTHN-SLFFLAALSA-N 1 3 312.457 2.833 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCC4=CCOCC4)[C@H]3C2)cc1 ZINC000449402731 429406258 /nfs/dbraw/zinc/40/62/58/429406258.db2.gz NDBMAXUSWHFTHN-SLFFLAALSA-N 1 3 312.457 2.833 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457121307 429408024 /nfs/dbraw/zinc/40/80/24/429408024.db2.gz ODYVVJQSDZSSLM-QGZVFWFLSA-N 1 3 311.514 2.830 20 0 DFADHO Cc1noc(C)c1[C@H](C)CNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425895404 429349364 /nfs/dbraw/zinc/34/93/64/429349364.db2.gz IJEQJJOZPWAQMU-LLVKDONJSA-N 1 3 318.421 2.640 20 0 DFADHO C[C@H](C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)CN(C)C ZINC000425951320 429352423 /nfs/dbraw/zinc/35/24/23/429352423.db2.gz MMDBPBMAOJCWFS-HUUCEWRRSA-N 1 3 303.450 2.662 20 0 DFADHO Cc1ccccc1-c1ccccc1CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC000449245128 429364739 /nfs/dbraw/zinc/36/47/39/429364739.db2.gz YQOVZTSSZIMOGR-FQEVSTJZSA-N 1 3 310.441 2.818 20 0 DFADHO Cc1ccccc1-c1ccccc1CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000449245128 429364742 /nfs/dbraw/zinc/36/47/42/429364742.db2.gz YQOVZTSSZIMOGR-FQEVSTJZSA-N 1 3 310.441 2.818 20 0 DFADHO C[NH+](C)CC1(C(=O)N2CCC[C@H]2CN2CCCC2)CCCCC1 ZINC000426117959 429366037 /nfs/dbraw/zinc/36/60/37/429366037.db2.gz XCDFYWRXRHCSCX-KRWDZBQOSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@H](C[NH2+]CC(C)(C)CN(C)Cc1ccccc1)CN(C)C ZINC000491588794 429376687 /nfs/dbraw/zinc/37/66/87/429376687.db2.gz LLXPYWZJDPEXLX-QGZVFWFLSA-N 1 3 305.510 2.932 20 0 DFADHO C[C@@H](C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)CN(C)C ZINC000491591755 429377634 /nfs/dbraw/zinc/37/76/34/429377634.db2.gz OABLCYSNWJBRTQ-YJBOKZPZSA-N 1 3 306.450 2.532 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000449330596 429390149 /nfs/dbraw/zinc/39/01/49/429390149.db2.gz UZRNCBCBIBQJHB-QGZVFWFLSA-N 1 3 303.450 2.834 20 0 DFADHO CC[C@H](NC1CC([NH+]2CCCCC2)C1)C1(C(=O)OC)CCC1 ZINC000366431020 429451122 /nfs/dbraw/zinc/45/11/22/429451122.db2.gz JQWREPVUMIMOTO-GPANFISMSA-N 1 3 308.466 2.715 20 0 DFADHO CC(C)N1CC[C@@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000519524733 429461557 /nfs/dbraw/zinc/46/15/57/429461557.db2.gz VGQHFTOSOFEBNF-QGZVFWFLSA-N 1 3 309.498 2.582 20 0 DFADHO CC(C)N1CC[C@@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000519524733 429461561 /nfs/dbraw/zinc/46/15/61/429461561.db2.gz VGQHFTOSOFEBNF-QGZVFWFLSA-N 1 3 309.498 2.582 20 0 DFADHO c1ccc(-c2ncc(CN3CCC([C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000519547804 429465494 /nfs/dbraw/zinc/46/54/94/429465494.db2.gz WMGUMGQQTFIAJH-IBGZPJMESA-N 1 3 322.456 2.965 20 0 DFADHO CCOc1cc2nccc(N(C)[C@@H]3CC[NH2+]C3)c2cc1OCC ZINC000518144323 429412237 /nfs/dbraw/zinc/41/22/37/429412237.db2.gz TXLPWEVSDHMYNK-CYBMUJFWSA-N 1 3 315.417 2.830 20 0 DFADHO CSc1ccc([C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000518397093 429421188 /nfs/dbraw/zinc/42/11/88/429421188.db2.gz OOABECQTIFVHJK-VYDXJSESSA-N 1 3 307.507 2.871 20 0 DFADHO CCCCN1CCCC[C@@H]1CNC(=O)[C@@H](CCC)[NH2+]C(C)C ZINC000491900258 429430369 /nfs/dbraw/zinc/43/03/69/429430369.db2.gz DMXMVYZOZCWSOK-IAGOWNOFSA-N 1 3 311.514 2.924 20 0 DFADHO OC[C@]1(CNC2CC[NH+](CC3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000519733885 429483220 /nfs/dbraw/zinc/48/32/20/429483220.db2.gz MPDPZVURZVWQTF-WOJBJXKFSA-N 1 3 314.473 2.617 20 0 DFADHO CC1CCC(O)(C[NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000519816873 429491550 /nfs/dbraw/zinc/49/15/50/429491550.db2.gz GPGAENZICMLCSQ-UHFFFAOYSA-N 1 3 317.477 2.829 20 0 DFADHO C[NH+]1CCC2(CCCN(CC(=O)NC3CCCCCC3)C2)CC1 ZINC000366877523 429532133 /nfs/dbraw/zinc/53/21/33/429532133.db2.gz CGXLNBSHAFBGRO-UHFFFAOYSA-N 1 3 321.509 2.633 20 0 DFADHO C[C@@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000449936620 429540649 /nfs/dbraw/zinc/54/06/49/429540649.db2.gz DSLCWMALTBQIFE-NVXWUHKLSA-N 1 3 323.525 2.876 20 0 DFADHO C[NH+]1CCC2(CCCN(Cc3cnn(C(C)(C)C)c3)C2)CC1 ZINC000366951023 429545919 /nfs/dbraw/zinc/54/59/19/429545919.db2.gz HYAVZPKVWZVOPJ-UHFFFAOYSA-N 1 3 304.482 2.946 20 0 DFADHO CCC[NH+]1CCC(N(C)CCN(C)Cc2ccccc2)CC1 ZINC000450469344 429635570 /nfs/dbraw/zinc/63/55/70/429635570.db2.gz QYCLCVHHTOCUGE-UHFFFAOYSA-N 1 3 303.494 2.925 20 0 DFADHO c1cncc(-c2cnccc2NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000367418156 429643389 /nfs/dbraw/zinc/64/33/89/429643389.db2.gz JUTQRWMYJLXKSH-KRWDZBQOSA-N 1 3 308.429 2.994 20 0 DFADHO c1cncc(-c2cnccc2NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000367418156 429643394 /nfs/dbraw/zinc/64/33/94/429643394.db2.gz JUTQRWMYJLXKSH-KRWDZBQOSA-N 1 3 308.429 2.994 20 0 DFADHO CCC[C@@H](C(=O)NC1CC[NH+](Cc2cccs2)CC1)N(C)C ZINC000367444543 429650015 /nfs/dbraw/zinc/65/00/15/429650015.db2.gz GIIYFDCTFFFSDH-INIZCTEOSA-N 1 3 323.506 2.559 20 0 DFADHO CCc1ccc2nccc(N3CC[N@H+](C[C@@H](C)O)[C@H](C)C3)c2c1 ZINC000450314181 429598429 /nfs/dbraw/zinc/59/84/29/429598429.db2.gz TYBADJJRNUJTIP-HUUCEWRRSA-N 1 3 313.445 2.689 20 0 DFADHO CCc1ccc2nccc(N3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)c2c1 ZINC000450314181 429598430 /nfs/dbraw/zinc/59/84/30/429598430.db2.gz TYBADJJRNUJTIP-HUUCEWRRSA-N 1 3 313.445 2.689 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000367517920 429664157 /nfs/dbraw/zinc/66/41/57/429664157.db2.gz FILBQPNWYKPMAG-FHWLQOOXSA-N 1 3 310.445 2.835 20 0 DFADHO CC1(C)CC([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC(C)(C)N1 ZINC000314766978 276100483 /nfs/dbraw/zinc/10/04/83/276100483.db2.gz JBVUPNVXHJCDIM-ZYHUDNBSSA-N 1 3 308.388 2.995 20 0 DFADHO CCN1CC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000132326443 276228400 /nfs/dbraw/zinc/22/84/00/276228400.db2.gz ZZOAIRICSVPTKD-XLIONFOSSA-N 1 3 315.505 2.971 20 0 DFADHO CCC[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N(C)C ZINC000133863591 276268652 /nfs/dbraw/zinc/26/86/52/276268652.db2.gz OWOJNKIPFRDCRE-MSOLQXFVSA-N 1 3 323.525 2.831 20 0 DFADHO CN(CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccc(F)cc1 ZINC000367617734 429687966 /nfs/dbraw/zinc/68/79/66/429687966.db2.gz REFKDWHUZHEHQY-GUDVDZBRSA-N 1 3 319.468 2.720 20 0 DFADHO CN(CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccc(F)cc1 ZINC000367617734 429687971 /nfs/dbraw/zinc/68/79/71/429687971.db2.gz REFKDWHUZHEHQY-GUDVDZBRSA-N 1 3 319.468 2.720 20 0 DFADHO CC[NH2+]CC1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000430568269 429694270 /nfs/dbraw/zinc/69/42/70/429694270.db2.gz FVCHGZYDVXZUNA-SFHVURJKSA-N 1 3 315.461 2.504 20 0 DFADHO CCO[C@@H]1COCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000354971433 276341182 /nfs/dbraw/zinc/34/11/82/276341182.db2.gz TYYXSHCYWAWCOW-QZTJIDSGSA-N 1 3 310.482 2.567 20 0 DFADHO Cc1ccc(CCN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000367677776 429697498 /nfs/dbraw/zinc/69/74/98/429697498.db2.gz HHZCPONKWKWMGR-FQEVSTJZSA-N 1 3 315.505 2.638 20 0 DFADHO Cc1ccc(CCN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000367677776 429697502 /nfs/dbraw/zinc/69/75/02/429697502.db2.gz HHZCPONKWKWMGR-FQEVSTJZSA-N 1 3 315.505 2.638 20 0 DFADHO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000367681919 429700243 /nfs/dbraw/zinc/70/02/43/429700243.db2.gz DUSSSRTZCRRSHR-PKOBYXMFSA-N 1 3 307.526 2.772 20 0 DFADHO CCC(CC)[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)CC(C)C ZINC000482857324 429728453 /nfs/dbraw/zinc/72/84/53/429728453.db2.gz JLYFAZVDSGGAMI-UHFFFAOYSA-N 1 3 323.525 2.876 20 0 DFADHO CCC(CC)[N@H+](CC(=O)NC1CCN(C2CC2)CC1)CC(C)C ZINC000482857324 429728457 /nfs/dbraw/zinc/72/84/57/429728457.db2.gz JLYFAZVDSGGAMI-UHFFFAOYSA-N 1 3 323.525 2.876 20 0 DFADHO Cc1ncc(CN2CCC3(CC[NH2+]C3)CC2)n1-c1ccccc1 ZINC000430961052 429729329 /nfs/dbraw/zinc/72/93/29/429729329.db2.gz BNHNYGCOIIBBKG-UHFFFAOYSA-N 1 3 310.445 2.756 20 0 DFADHO CSc1ccccc1NC(=O)CCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430959971 429729463 /nfs/dbraw/zinc/72/94/63/429729463.db2.gz FYZVVUDNSNHNMO-KBPBESRZSA-N 1 3 321.490 2.796 20 0 DFADHO C[N@H+](CCc1ccccn1)CC1CCN(c2ccncc2)CC1 ZINC000367886063 429736042 /nfs/dbraw/zinc/73/60/42/429736042.db2.gz OBRGYJISDOEIBP-UHFFFAOYSA-N 1 3 310.445 2.868 20 0 DFADHO C[N@@H+](CCc1ccccn1)CC1CCN(c2ccncc2)CC1 ZINC000367886063 429736047 /nfs/dbraw/zinc/73/60/47/429736047.db2.gz OBRGYJISDOEIBP-UHFFFAOYSA-N 1 3 310.445 2.868 20 0 DFADHO CN(CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000431047299 429737702 /nfs/dbraw/zinc/73/77/02/429737702.db2.gz WRTMSRHKVFQABW-ROUUACIJSA-N 1 3 317.477 2.532 20 0 DFADHO CCN(C(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000431034848 429737744 /nfs/dbraw/zinc/73/77/44/429737744.db2.gz PBIPMXKPGVJXJE-INIZCTEOSA-N 1 3 315.461 2.504 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432093048 429801428 /nfs/dbraw/zinc/80/14/28/429801428.db2.gz ZYHGJNSRHMPBLJ-SJORKVTESA-N 1 3 316.493 2.883 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432093048 429801431 /nfs/dbraw/zinc/80/14/31/429801431.db2.gz ZYHGJNSRHMPBLJ-SJORKVTESA-N 1 3 316.493 2.883 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432093048 429801435 /nfs/dbraw/zinc/80/14/35/429801435.db2.gz ZYHGJNSRHMPBLJ-SJORKVTESA-N 1 3 316.493 2.883 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432093048 429801437 /nfs/dbraw/zinc/80/14/37/429801437.db2.gz ZYHGJNSRHMPBLJ-SJORKVTESA-N 1 3 316.493 2.883 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC000486919877 429752987 /nfs/dbraw/zinc/75/29/87/429752987.db2.gz JYAGYNXRRMKAOQ-QGZVFWFLSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC000486919877 429752991 /nfs/dbraw/zinc/75/29/91/429752991.db2.gz JYAGYNXRRMKAOQ-QGZVFWFLSA-N 1 3 317.477 2.598 20 0 DFADHO CCO[C@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C12CCC2 ZINC000294312720 276490141 /nfs/dbraw/zinc/49/01/41/276490141.db2.gz WBSJTEZOAGPEER-ROUUACIJSA-N 1 3 315.461 2.988 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000451070359 429761824 /nfs/dbraw/zinc/76/18/24/429761824.db2.gz OLYJJJJCVTVPDI-BHIYHBOVSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000451070359 429761827 /nfs/dbraw/zinc/76/18/27/429761827.db2.gz OLYJJJJCVTVPDI-BHIYHBOVSA-N 1 3 302.462 2.569 20 0 DFADHO CCC[NH+]1CCC(NC(=O)C[C@@H](c2ccccc2)N(C)C)CC1 ZINC000431614310 429773127 /nfs/dbraw/zinc/77/31/27/429773127.db2.gz NFTLKFDBMTZVSD-SFHVURJKSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)[C@H]1CC12CC2 ZINC000527901667 429817754 /nfs/dbraw/zinc/81/77/54/429817754.db2.gz RVEVMNPOJJZPNQ-GDBMZVCRSA-N 1 3 303.450 2.690 20 0 DFADHO CCCN1CCC([NH2+]C[C@H](OC)c2cccc(OC)c2)CC1 ZINC000527922591 429821047 /nfs/dbraw/zinc/82/10/47/429821047.db2.gz ZNZSNSWFKSABHW-SFHVURJKSA-N 1 3 306.450 2.847 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@]2(C)COc3ccccc3O2)[C@@H]2CCC[C@@H]21 ZINC000527935534 429823230 /nfs/dbraw/zinc/82/32/30/429823230.db2.gz ZWIMAWLIZAPSOV-IUVQAAGXSA-N 1 3 316.445 2.679 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@]2(C)COc3ccccc3O2)[C@@H]2CCC[C@@H]21 ZINC000527935534 429823234 /nfs/dbraw/zinc/82/32/34/429823234.db2.gz ZWIMAWLIZAPSOV-IUVQAAGXSA-N 1 3 316.445 2.679 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(C)COc2ccccc2O1 ZINC000527930047 429823569 /nfs/dbraw/zinc/82/35/69/429823569.db2.gz HDKZRAHYTNKBRZ-BSXFFOKHSA-N 1 3 304.434 2.535 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(C)COc2ccccc2O1 ZINC000527930047 429823574 /nfs/dbraw/zinc/82/35/74/429823574.db2.gz HDKZRAHYTNKBRZ-BSXFFOKHSA-N 1 3 304.434 2.535 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC45CC(C4)CO5)[C@@H]3C2)cc1 ZINC000527982099 429831423 /nfs/dbraw/zinc/83/14/23/429831423.db2.gz QLNPWSLBZAAEJN-WDEUGEGNSA-N 1 3 312.457 2.666 20 0 DFADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CC4COC4)[C@@H]3C2)cc1 ZINC000528024953 429839459 /nfs/dbraw/zinc/83/94/59/429839459.db2.gz FHZXYLLGRRPMSX-XUVXKRRUSA-N 1 3 314.473 2.913 20 0 DFADHO CN(C)[C@@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000432787401 429840054 /nfs/dbraw/zinc/84/00/54/429840054.db2.gz SEFNRMRCRMMXSC-CQSZACIVSA-N 1 3 304.463 2.850 20 0 DFADHO CN(C)[C@@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000432787401 429840059 /nfs/dbraw/zinc/84/00/59/429840059.db2.gz SEFNRMRCRMMXSC-CQSZACIVSA-N 1 3 304.463 2.850 20 0 DFADHO CC(C)[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000432831842 429844997 /nfs/dbraw/zinc/84/49/97/429844997.db2.gz VYMMNBMBVYWEIE-HSALFYBXSA-N 1 3 316.489 2.990 20 0 DFADHO CC(C)[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000432831842 429845000 /nfs/dbraw/zinc/84/50/00/429845000.db2.gz VYMMNBMBVYWEIE-HSALFYBXSA-N 1 3 316.489 2.990 20 0 DFADHO COc1ccc2c(c1)OCCC[C@H]2NCC1=CC[N@H+](C)CC1 ZINC000368414179 429846550 /nfs/dbraw/zinc/84/65/50/429846550.db2.gz ZBZKVPMPPBAKAO-QGZVFWFLSA-N 1 3 302.418 2.760 20 0 DFADHO COc1ccc2c(c1)OCCC[C@H]2NCC1=CC[N@@H+](C)CC1 ZINC000368414179 429846554 /nfs/dbraw/zinc/84/65/54/429846554.db2.gz ZBZKVPMPPBAKAO-QGZVFWFLSA-N 1 3 302.418 2.760 20 0 DFADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000371338101 276588433 /nfs/dbraw/zinc/58/84/33/276588433.db2.gz YOIURSVQTLQOSN-MTNOOBJLSA-N 1 3 307.526 2.959 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000528392789 429884577 /nfs/dbraw/zinc/88/45/77/429884577.db2.gz DJMWLSRYWXVQJS-FHLIZLRMSA-N 1 3 308.441 2.798 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000528392789 429884579 /nfs/dbraw/zinc/88/45/79/429884579.db2.gz DJMWLSRYWXVQJS-FHLIZLRMSA-N 1 3 308.441 2.798 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000528478086 429891835 /nfs/dbraw/zinc/89/18/35/429891835.db2.gz SOWLFRGYLSSENJ-ZWKOTPCHSA-N 1 3 308.441 2.799 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000528478086 429891836 /nfs/dbraw/zinc/89/18/36/429891836.db2.gz SOWLFRGYLSSENJ-ZWKOTPCHSA-N 1 3 308.441 2.799 20 0 DFADHO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCCN2C)o1 ZINC000368755694 429892091 /nfs/dbraw/zinc/89/20/91/429892091.db2.gz CYWAAKVSIXAMDS-DOTOQJQBSA-N 1 3 319.449 2.537 20 0 DFADHO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCCN2C)o1 ZINC000368755694 429892093 /nfs/dbraw/zinc/89/20/93/429892093.db2.gz CYWAAKVSIXAMDS-DOTOQJQBSA-N 1 3 319.449 2.537 20 0 DFADHO CO[C@H](C[N@@H+]1CCC[C@]2(CCN(C)C2)C1)c1ccc(F)cc1 ZINC000528519702 429896099 /nfs/dbraw/zinc/89/60/99/429896099.db2.gz VTFZTBWIRHDPDK-QZTJIDSGSA-N 1 3 306.425 2.931 20 0 DFADHO CO[C@H](C[N@H+]1CCC[C@]2(CCN(C)C2)C1)c1ccc(F)cc1 ZINC000528519702 429896101 /nfs/dbraw/zinc/89/61/01/429896101.db2.gz VTFZTBWIRHDPDK-QZTJIDSGSA-N 1 3 306.425 2.931 20 0 DFADHO CCC[N@@H+]1CCCN(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000368840039 429898275 /nfs/dbraw/zinc/89/82/75/429898275.db2.gz YWSCRSYHKQFMDH-UHFFFAOYSA-N 1 3 318.465 2.698 20 0 DFADHO CCC[N@H+]1CCCN(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000368840039 429898276 /nfs/dbraw/zinc/89/82/76/429898276.db2.gz YWSCRSYHKQFMDH-UHFFFAOYSA-N 1 3 318.465 2.698 20 0 DFADHO C[C@@H](N[C@H](C[NH3+])C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000573711276 429974702 /nfs/dbraw/zinc/97/47/02/429974702.db2.gz ANSOTHRCPAVLTA-RDTXWAMCSA-N 1 3 313.449 2.826 20 0 DFADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cccc(N2CCOCC2)c1 ZINC000573711340 429974939 /nfs/dbraw/zinc/97/49/39/429974939.db2.gz HVRMOZSUJZJBJM-IEZWGBDMSA-N 1 3 317.477 2.691 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CN)c1cccc(N2CCOCC2)c1 ZINC000573711340 429974942 /nfs/dbraw/zinc/97/49/42/429974942.db2.gz HVRMOZSUJZJBJM-IEZWGBDMSA-N 1 3 317.477 2.691 20 0 DFADHO O[C@@H](C[N@@H+]1CCCN(c2ccncc2)CC1)C1CCCCC1 ZINC000639683681 429946672 /nfs/dbraw/zinc/94/66/72/429946672.db2.gz LGBSQVWMQIRQEI-SFHVURJKSA-N 1 3 303.450 2.535 20 0 DFADHO O[C@@H](C[N@H+]1CCCN(c2ccncc2)CC1)C1CCCCC1 ZINC000639683681 429946676 /nfs/dbraw/zinc/94/66/76/429946676.db2.gz LGBSQVWMQIRQEI-SFHVURJKSA-N 1 3 303.450 2.535 20 0 DFADHO c1ccc2c(CCN3CCCN(c4cc[nH+]cc4)CC3)noc2c1 ZINC000639683099 429947079 /nfs/dbraw/zinc/94/70/79/429947079.db2.gz GYEQHPIIZUTXKE-UHFFFAOYSA-N 1 3 322.412 2.978 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000574338985 430034233 /nfs/dbraw/zinc/03/42/33/430034233.db2.gz ISYZLQAWKRCIQV-STQMWFEESA-N 1 3 302.340 2.987 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCc2ccc(OC(F)(F)F)cc2)C1 ZINC000574338985 430034239 /nfs/dbraw/zinc/03/42/39/430034239.db2.gz ISYZLQAWKRCIQV-STQMWFEESA-N 1 3 302.340 2.987 20 0 DFADHO CCC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000574499185 430046567 /nfs/dbraw/zinc/04/65/67/430046567.db2.gz MDJXQTPCSMDFHA-YJBOKZPZSA-N 1 3 321.509 2.678 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H](C)CN(C)C ZINC000293732457 287915436 /nfs/dbraw/zinc/91/54/36/287915436.db2.gz QDYMHAMMZZBWOR-GDBMZVCRSA-N 1 3 308.466 2.812 20 0 DFADHO C[C@@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C1CC(F)(F)C1 ZINC000529542646 430025996 /nfs/dbraw/zinc/02/59/96/430025996.db2.gz RASWFNZVZASTPG-GFCCVEGCSA-N 1 3 313.392 2.545 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000574268971 430026207 /nfs/dbraw/zinc/02/62/07/430026207.db2.gz OZWVHLIOUISVGZ-RRENTHDGSA-N 1 3 302.462 2.650 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000634723656 430090410 /nfs/dbraw/zinc/09/04/10/430090410.db2.gz AGUSFAQSFRDAKK-GDAAHCPNSA-N 1 3 302.462 2.648 20 0 DFADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530222822 430105933 /nfs/dbraw/zinc/10/59/33/430105933.db2.gz HRNAHXNAUFOTFG-MXNRTCDRSA-N 1 3 316.445 2.644 20 0 DFADHO C[C@@H]1C[C@H](CN2CCc3nc(C(C)(C)C)ncc3C2)CC[NH2+]1 ZINC000530241214 430106847 /nfs/dbraw/zinc/10/68/47/430106847.db2.gz DNELDEQWIWTQEN-ZIAGYGMSSA-N 1 3 302.466 2.520 20 0 DFADHO C[C@H]1C[C@H](CN2CCc3nc(C(C)(C)C)ncc3C2)CC[NH2+]1 ZINC000530241213 430107315 /nfs/dbraw/zinc/10/73/15/430107315.db2.gz DNELDEQWIWTQEN-UONOGXRCSA-N 1 3 302.466 2.520 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCc3cncn3C)CC2)C1 ZINC000530355011 430112813 /nfs/dbraw/zinc/11/28/13/430112813.db2.gz SZDWLYBPDDKPOW-NVXWUHKLSA-N 1 3 304.482 2.595 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCc3cncn3C)CC2)C1 ZINC000530355011 430112816 /nfs/dbraw/zinc/11/28/16/430112816.db2.gz SZDWLYBPDDKPOW-NVXWUHKLSA-N 1 3 304.482 2.595 20 0 DFADHO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(OCCN(C)C)cc1 ZINC000560908032 430070098 /nfs/dbraw/zinc/07/00/98/430070098.db2.gz HCSHMDQYWWBFFJ-XIRDDKMYSA-N 1 3 306.450 2.581 20 0 DFADHO CC[NH+]1CCC(CNC(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000562658091 430160701 /nfs/dbraw/zinc/16/07/01/430160701.db2.gz SYUAYARWVYWDDN-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO Cc1ccc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000581005959 430168918 /nfs/dbraw/zinc/16/89/18/430168918.db2.gz JLEQIBUOBXHOTJ-MJGOQNOKSA-N 1 3 312.413 2.976 20 0 DFADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2cccn2)c(F)c1 ZINC000581021997 430172371 /nfs/dbraw/zinc/17/23/71/430172371.db2.gz HQYTTWMWEUWPNH-QEJZJMRPSA-N 1 3 302.397 2.932 20 0 DFADHO c1ccc([C@H]2OCC[C@H]2NCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000581078208 430175819 /nfs/dbraw/zinc/17/58/19/430175819.db2.gz ZFWRAYNOUQVYBW-WOJBJXKFSA-N 1 3 308.425 2.952 20 0 DFADHO C[C@@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)C1CCCCC1 ZINC000530880406 430126494 /nfs/dbraw/zinc/12/64/94/430126494.db2.gz OHQJNWREWJSMLE-INIZCTEOSA-N 1 3 311.514 2.545 20 0 DFADHO Nc1ccc(-c2cccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000634991392 430185687 /nfs/dbraw/zinc/18/56/87/430185687.db2.gz CCTBNAHATFNCDE-SNRMKQJTSA-N 1 3 322.456 2.890 20 0 DFADHO CN1CCC[C@@H](CNC(N)=[NH2+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304265045 277053387 /nfs/dbraw/zinc/05/33/87/277053387.db2.gz VBCAVCDSFPUEQS-WCQYABFASA-N 1 3 314.355 2.571 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000163244865 277059928 /nfs/dbraw/zinc/05/99/28/277059928.db2.gz DYISIGCXXRQRDV-RTBURBONSA-N 1 3 302.462 2.804 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000163244865 277059930 /nfs/dbraw/zinc/05/99/30/277059930.db2.gz DYISIGCXXRQRDV-RTBURBONSA-N 1 3 302.462 2.804 20 0 DFADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000581185775 430187148 /nfs/dbraw/zinc/18/71/48/430187148.db2.gz GWQOPSWUXBXVEQ-RCCFBDPRSA-N 1 3 320.477 2.506 20 0 DFADHO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@H]23)c1 ZINC000315478635 277087877 /nfs/dbraw/zinc/08/78/77/277087877.db2.gz KXKBPBANJCDEJF-DOPJRALCSA-N 1 3 301.434 2.922 20 0 DFADHO C[N@@H+]1CCN(CCN[C@H]2CCc3c2c(F)ccc3F)CC1(C)C ZINC000282267035 277106448 /nfs/dbraw/zinc/10/64/48/277106448.db2.gz KFPQCNHLHBWFBV-INIZCTEOSA-N 1 3 323.431 2.568 20 0 DFADHO C[N@H+]1CCN(CCN[C@H]2CCc3c2c(F)ccc3F)CC1(C)C ZINC000282267035 277106450 /nfs/dbraw/zinc/10/64/50/277106450.db2.gz KFPQCNHLHBWFBV-INIZCTEOSA-N 1 3 323.431 2.568 20 0 DFADHO CC(C)C[C@H](C[NH+]1CCC(NCCO)CC1)c1ccccc1 ZINC000635002257 430191840 /nfs/dbraw/zinc/19/18/40/430191840.db2.gz MPHKPOVXOMTCRD-GOSISDBHSA-N 1 3 304.478 2.863 20 0 DFADHO CN(CCCC[NH+]1CCCCC1)C[C@H](O)COc1ccccc1 ZINC000640530627 430191938 /nfs/dbraw/zinc/19/19/38/430191938.db2.gz ACUSXVXVQFDXDX-SFHVURJKSA-N 1 3 320.477 2.624 20 0 DFADHO CN(CCCC[NH+]1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000640534694 430193968 /nfs/dbraw/zinc/19/39/68/430193968.db2.gz RVYDLZOKOFBISQ-RCCFBDPRSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccccc1F ZINC000635009288 430196470 /nfs/dbraw/zinc/19/64/70/430196470.db2.gz MVQQLOONYPNFHT-ZDUSSCGKSA-N 1 3 300.381 2.803 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012327 430196498 /nfs/dbraw/zinc/19/64/98/430196498.db2.gz SNLDIYSROGIAPO-HZPDHXFCSA-N 1 3 317.477 2.796 20 0 DFADHO C[C@H]1Cc2ccccc2[C@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010274 430196708 /nfs/dbraw/zinc/19/67/08/430196708.db2.gz RLHNRCBGDIXFQC-LIRRHRJNSA-N 1 3 308.429 2.837 20 0 DFADHO FCCC[C@H]1CCC[C@@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012863 430197696 /nfs/dbraw/zinc/19/76/96/430197696.db2.gz WIEMKXPBRRAVHB-ZBFHGGJFSA-N 1 3 306.429 2.822 20 0 DFADHO CO[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353631566 277332344 /nfs/dbraw/zinc/33/23/44/277332344.db2.gz LYBDKPMRRITBNP-XWTMOSNGSA-N 1 3 306.425 2.976 20 0 DFADHO CO[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353631566 277332346 /nfs/dbraw/zinc/33/23/46/277332346.db2.gz LYBDKPMRRITBNP-XWTMOSNGSA-N 1 3 306.425 2.976 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](N)CCC(C)C ZINC000638055065 430221284 /nfs/dbraw/zinc/22/12/84/430221284.db2.gz RYAXEHBARLHBJG-GOSISDBHSA-N 1 3 319.493 2.908 20 0 DFADHO CC[NH2+]CCCN[C@@H]1CCc2cccc(Br)c2C1 ZINC000581601911 430222786 /nfs/dbraw/zinc/22/27/86/430222786.db2.gz XUMUHULXAJEZKU-CYBMUJFWSA-N 1 3 311.267 2.896 20 0 DFADHO COc1cccc(C)c1CN1CCC(OCC[NH+](C)C)CC1 ZINC000638061742 430224330 /nfs/dbraw/zinc/22/43/30/430224330.db2.gz MGYQRSWHJBVJQR-UHFFFAOYSA-N 1 3 306.450 2.546 20 0 DFADHO Cc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c(-n2cc(Cl)cn2)n1 ZINC000581834994 430242938 /nfs/dbraw/zinc/24/29/38/430242938.db2.gz IPOBRAHTGBDEJN-LSDHHAIUSA-N 1 3 319.840 2.589 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000567406961 430284553 /nfs/dbraw/zinc/28/45/53/430284553.db2.gz XUHPFOZTIJGWQM-YQVWRLOYSA-N 1 3 319.493 2.938 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000581894976 430249412 /nfs/dbraw/zinc/24/94/12/430249412.db2.gz NYERHODYCPDGSV-IIDMSEBBSA-N 1 3 302.418 2.768 20 0 DFADHO CC(C)(C)N1CCC([NH2+][C@H]2COc3cc(F)ccc3C2)CC1 ZINC000582014102 430260436 /nfs/dbraw/zinc/26/04/36/430260436.db2.gz HLJXYJHNBBRSQM-MRXNPFEDSA-N 1 3 306.425 2.982 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCOc2ccc(C(F)(F)F)cc2)C1 ZINC000566483878 430265576 /nfs/dbraw/zinc/26/55/76/430265576.db2.gz XNZWPWXBKUJKAA-STQMWFEESA-N 1 3 302.340 2.944 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2c3ccccc3CC23CCOCC3)C1 ZINC000581618231 430227580 /nfs/dbraw/zinc/22/75/80/430227580.db2.gz VFDCECDFBCLRLA-NUJGCVRESA-N 1 3 300.446 2.940 20 0 DFADHO CC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000638076741 430228453 /nfs/dbraw/zinc/22/84/53/430228453.db2.gz MYQYVUZGZSKKND-AEFFLSMTSA-N 1 3 317.477 2.574 20 0 DFADHO CN(CCCO)C1CC[NH+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638082261 430229661 /nfs/dbraw/zinc/22/96/61/430229661.db2.gz GRHSWUMWWOSMPY-WOJBJXKFSA-N 1 3 316.489 2.959 20 0 DFADHO CCO[C@@H]1C[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666448 430231259 /nfs/dbraw/zinc/23/12/59/430231259.db2.gz DSUZNJZLPMYZRW-OKZBNKHCSA-N 1 3 300.446 2.951 20 0 DFADHO CCO[C@@H]1C[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666448 430231263 /nfs/dbraw/zinc/23/12/63/430231263.db2.gz DSUZNJZLPMYZRW-OKZBNKHCSA-N 1 3 300.446 2.951 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000638086987 430232322 /nfs/dbraw/zinc/23/23/22/430232322.db2.gz YSSJKXVBCQOBKO-BZSNNMDCSA-N 1 3 323.525 2.863 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000638086987 430232325 /nfs/dbraw/zinc/23/23/25/430232325.db2.gz YSSJKXVBCQOBKO-BZSNNMDCSA-N 1 3 323.525 2.863 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000638109870 430240136 /nfs/dbraw/zinc/24/01/36/430240136.db2.gz XAOSJNPMWFIADX-QGZVFWFLSA-N 1 3 321.465 2.719 20 0 DFADHO c1ccc(N2CC[C@@H](CN3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000638113326 430240252 /nfs/dbraw/zinc/24/02/52/430240252.db2.gz RSPIEMGAFYOTEU-MOPGFXCFSA-N 1 3 313.489 2.931 20 0 DFADHO c1ccc(N2CC[C@@H](C[N@H+]3CC[C@H](CN4CCCC4)C3)C2)cc1 ZINC000638113326 430240254 /nfs/dbraw/zinc/24/02/54/430240254.db2.gz RSPIEMGAFYOTEU-MOPGFXCFSA-N 1 3 313.489 2.931 20 0 DFADHO c1ccc(N2CC[C@@H](C[N@@H+]3CC[C@H](CN4CCCC4)C3)C2)cc1 ZINC000638113326 430240259 /nfs/dbraw/zinc/24/02/59/430240259.db2.gz RSPIEMGAFYOTEU-MOPGFXCFSA-N 1 3 313.489 2.931 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000582367786 430294171 /nfs/dbraw/zinc/29/41/71/430294171.db2.gz DOVZKLOUJBMDNC-QAPCUYQASA-N 1 3 308.441 2.708 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000582367786 430294175 /nfs/dbraw/zinc/29/41/75/430294175.db2.gz DOVZKLOUJBMDNC-QAPCUYQASA-N 1 3 308.441 2.708 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000638289702 430295116 /nfs/dbraw/zinc/29/51/16/430295116.db2.gz APFOTRFKMJEVER-GOSISDBHSA-N 1 3 323.525 2.865 20 0 DFADHO CN(CC(=O)N[C@H](CCC[NH3+])c1ccccc1)CC(C)(C)C ZINC000638330257 430306836 /nfs/dbraw/zinc/30/68/36/430306836.db2.gz UBORAMVKZRGLBY-MRXNPFEDSA-N 1 3 305.466 2.561 20 0 DFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)[C@@H]1CC2CCC1CC2 ZINC000638360945 430316476 /nfs/dbraw/zinc/31/64/76/430316476.db2.gz XIHQUFVXQYBWDY-RGVPCPSESA-N 1 3 307.526 2.818 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000568107504 430318877 /nfs/dbraw/zinc/31/88/77/430318877.db2.gz OXSJNEKHJYCUQE-QRVBRYPASA-N 1 3 301.478 2.991 20 0 DFADHO CCCN1CC[C@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638409113 430333548 /nfs/dbraw/zinc/33/35/48/430333548.db2.gz JDRPFTQHXDEFNG-QZTJIDSGSA-N 1 3 301.478 2.834 20 0 DFADHO CC(C)(C)O[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCCCC2)C12CCC2 ZINC000638412358 430333876 /nfs/dbraw/zinc/33/38/76/430333876.db2.gz OETNEUMMQIKPJH-YESZJQIVSA-N 1 3 324.509 2.549 20 0 DFADHO C[C@H](O)CN(Cc1ccccc1)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000582899478 430345804 /nfs/dbraw/zinc/34/58/04/430345804.db2.gz PHQXMHCGVAWRHN-MAUKXSAKSA-N 1 3 316.420 2.751 20 0 DFADHO C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](CN)c1ccc(F)cc1 ZINC000582899478 430345806 /nfs/dbraw/zinc/34/58/06/430345806.db2.gz PHQXMHCGVAWRHN-MAUKXSAKSA-N 1 3 316.420 2.751 20 0 DFADHO C[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H](CN)c1ccc(F)cc1 ZINC000582899478 430345810 /nfs/dbraw/zinc/34/58/10/430345810.db2.gz PHQXMHCGVAWRHN-MAUKXSAKSA-N 1 3 316.420 2.751 20 0 DFADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000638454717 430348236 /nfs/dbraw/zinc/34/82/36/430348236.db2.gz NIYKXZBXTYSOMG-QAPCUYQASA-N 1 3 321.509 2.678 20 0 DFADHO Cc1ccc(CN2CCCC2)cc1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635713246 430355340 /nfs/dbraw/zinc/35/53/40/430355340.db2.gz ZVSTYEGVMZTUPV-QGZVFWFLSA-N 1 3 315.461 2.871 20 0 DFADHO Cc1ccc(CN2CCCC2)cc1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635713246 430355344 /nfs/dbraw/zinc/35/53/44/430355344.db2.gz ZVSTYEGVMZTUPV-QGZVFWFLSA-N 1 3 315.461 2.871 20 0 DFADHO CCC[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)OC ZINC000638521308 430366296 /nfs/dbraw/zinc/36/62/96/430366296.db2.gz GKIJCECOKDENHP-RBUKOAKNSA-N 1 3 304.478 2.956 20 0 DFADHO CCC[C@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)OC ZINC000638521308 430366300 /nfs/dbraw/zinc/36/63/00/430366300.db2.gz GKIJCECOKDENHP-RBUKOAKNSA-N 1 3 304.478 2.956 20 0 DFADHO CCC[C@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)OC ZINC000638521308 430366303 /nfs/dbraw/zinc/36/63/03/430366303.db2.gz GKIJCECOKDENHP-RBUKOAKNSA-N 1 3 304.478 2.956 20 0 DFADHO CC(C)[C@H]1C[C@@H](NCc2ccncc2OCC[NH+](C)C)CS1 ZINC000568566750 430371747 /nfs/dbraw/zinc/37/17/47/430371747.db2.gz XGWQSGPASNJBDE-NVXWUHKLSA-N 1 3 323.506 2.642 20 0 DFADHO CN(C)CCOc1ccc(CC[NH2+]CCC2CCOCC2)cc1 ZINC000638540144 430372367 /nfs/dbraw/zinc/37/23/67/430372367.db2.gz ZCQPDNBDAFQRSO-UHFFFAOYSA-N 1 3 320.477 2.576 20 0 DFADHO C[C@H](NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568618667 430376181 /nfs/dbraw/zinc/37/61/81/430376181.db2.gz OKXBVZGTCJJOBA-XHSDSOJGSA-N 1 3 307.507 2.863 20 0 DFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000635787421 430376969 /nfs/dbraw/zinc/37/69/69/430376969.db2.gz MVQNVGYSKDVEBD-CVEARBPZSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000635787421 430376973 /nfs/dbraw/zinc/37/69/73/430376973.db2.gz MVQNVGYSKDVEBD-CVEARBPZSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1CCCCC1 ZINC000638588789 430383150 /nfs/dbraw/zinc/38/31/50/430383150.db2.gz NRANZITZUDZQIQ-AEFFLSMTSA-N 1 3 307.526 2.961 20 0 DFADHO CC(C)(O)CN1CCC([NH2+]Cc2coc3ccccc23)CC1 ZINC000638623194 430391982 /nfs/dbraw/zinc/39/19/82/430391982.db2.gz LLHMYMXQHDAENP-UHFFFAOYSA-N 1 3 302.418 2.758 20 0 DFADHO Cc1cccc(O[C@@H](C)CNC2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638630488 430393250 /nfs/dbraw/zinc/39/32/50/430393250.db2.gz NSLIHYPBVVIMEV-INIZCTEOSA-N 1 3 320.477 2.587 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](CC/C=C\c2cncc(OC)c2)C1 ZINC000583497165 430401774 /nfs/dbraw/zinc/40/17/74/430401774.db2.gz YAERBCNTOXRESZ-WVRJYTFGSA-N 1 3 303.450 2.767 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](CC/C=C\c2cncc(OC)c2)C1 ZINC000583497165 430401778 /nfs/dbraw/zinc/40/17/78/430401778.db2.gz YAERBCNTOXRESZ-WVRJYTFGSA-N 1 3 303.450 2.767 20 0 DFADHO CCN1CCC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548060936 430443625 /nfs/dbraw/zinc/44/36/25/430443625.db2.gz OPQGQMCGXLYZND-UHFFFAOYSA-N 1 3 309.498 2.584 20 0 DFADHO CCN1CCC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548060936 430443629 /nfs/dbraw/zinc/44/36/29/430443629.db2.gz OPQGQMCGXLYZND-UHFFFAOYSA-N 1 3 309.498 2.584 20 0 DFADHO c1cc(N2CCC(C[NH2+]CCC3CCOCC3)CC2)ccn1 ZINC000638837149 430450760 /nfs/dbraw/zinc/45/07/60/430450760.db2.gz PCRINXXNNHIBOL-UHFFFAOYSA-N 1 3 303.450 2.704 20 0 DFADHO CC[C@H](CSc1ccccc1)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000569476257 430457141 /nfs/dbraw/zinc/45/71/41/430457141.db2.gz UBCJXIGNCODEMX-GDBMZVCRSA-N 1 3 308.491 2.602 20 0 DFADHO CC[C@H](CSc1ccccc1)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000569476257 430457148 /nfs/dbraw/zinc/45/71/48/430457148.db2.gz UBCJXIGNCODEMX-GDBMZVCRSA-N 1 3 308.491 2.602 20 0 DFADHO CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@H]1CN2CCC1CC2 ZINC000638853443 430457149 /nfs/dbraw/zinc/45/71/49/430457149.db2.gz GSPJSOAENQANCW-ROUUACIJSA-N 1 3 321.509 2.617 20 0 DFADHO CC1([NH+]2CCCC2)CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000638859142 430458268 /nfs/dbraw/zinc/45/82/68/430458268.db2.gz ITFLICBKJWYNBD-KRWDZBQOSA-N 1 3 315.461 2.553 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@@H]3CCC[C@H]([NH3+])C3)C2)c1 ZINC000584183161 430467454 /nfs/dbraw/zinc/46/74/54/430467454.db2.gz WRMJWSOMHYSXOB-XHSDSOJGSA-N 1 3 303.450 2.524 20 0 DFADHO COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H](N)C3)C2)c1 ZINC000584183161 430467459 /nfs/dbraw/zinc/46/74/59/430467459.db2.gz WRMJWSOMHYSXOB-XHSDSOJGSA-N 1 3 303.450 2.524 20 0 DFADHO CC[NH+](CC)CC[C@H](CO)N[C@H]1CCC[C@H](c2cccnc2)C1 ZINC000641769418 430467800 /nfs/dbraw/zinc/46/78/00/430467800.db2.gz BEAPPALERDMSPG-YTQUADARSA-N 1 3 319.493 2.790 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCCCNC1 ZINC000583740553 430423734 /nfs/dbraw/zinc/42/37/34/430423734.db2.gz YGEHTAPCOQMLPA-IUODEOHRSA-N 1 3 309.841 2.789 20 0 DFADHO CN1CCN(CCCC[NH2+]Cc2sccc2Cl)CC1 ZINC000569178822 430427954 /nfs/dbraw/zinc/42/79/54/430427954.db2.gz NAIYFZLIGUTATN-UHFFFAOYSA-N 1 3 301.887 2.519 20 0 DFADHO CCN(C[C@H]1CCCN1CC)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000583789576 430428371 /nfs/dbraw/zinc/42/83/71/430428371.db2.gz NNIDXWRHEMVVTF-QZTJIDSGSA-N 1 3 321.509 2.726 20 0 DFADHO CCN(C[C@H]1CCCN1CC)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000583789576 430428375 /nfs/dbraw/zinc/42/83/75/430428375.db2.gz NNIDXWRHEMVVTF-QZTJIDSGSA-N 1 3 321.509 2.726 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000638975292 430486761 /nfs/dbraw/zinc/48/67/61/430486761.db2.gz JESNXUXTTLZLIC-NVXWUHKLSA-N 1 3 317.477 2.655 20 0 DFADHO COc1cc(C[C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)ccn1 ZINC000639036904 430498009 /nfs/dbraw/zinc/49/80/09/430498009.db2.gz DLEJZJQCRLBCRJ-CVEARBPZSA-N 1 3 305.466 2.875 20 0 DFADHO COc1cc(C[C@@H](C)NCC[C@H](C)[NH+]2CCCCC2)ccn1 ZINC000639036904 430498014 /nfs/dbraw/zinc/49/80/14/430498014.db2.gz DLEJZJQCRLBCRJ-CVEARBPZSA-N 1 3 305.466 2.875 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN1CCCC[C@@H]1CCc1ccccc1 ZINC000569937766 430499611 /nfs/dbraw/zinc/49/96/11/430499611.db2.gz NNHPYVCZRZTXOM-MOPGFXCFSA-N 1 3 304.478 2.786 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN1CCCC[C@@H]1CCc1ccccc1 ZINC000569937766 430499613 /nfs/dbraw/zinc/49/96/13/430499613.db2.gz NNHPYVCZRZTXOM-MOPGFXCFSA-N 1 3 304.478 2.786 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)N2CCCCC2)[C@]12CCCO2 ZINC000639037231 430499705 /nfs/dbraw/zinc/49/97/05/430499705.db2.gz HAZVEIFVRFFSRX-BRSBDYLESA-N 1 3 310.482 2.567 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@H]2CCC3(CCCC3)O2)C1 ZINC000548918374 430510057 /nfs/dbraw/zinc/51/00/57/430510057.db2.gz PRKPXAROWRTJRG-ZWKOTPCHSA-N 1 3 324.509 2.911 20 0 DFADHO c1[nH]c2ncccc2c1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000570259876 430526680 /nfs/dbraw/zinc/52/66/80/430526680.db2.gz MEAXBWCTVIPGKD-UHFFFAOYSA-N 1 3 321.428 2.759 20 0 DFADHO Cc1nc2ccccc2nc1CNCC1CC[NH+](C2CC2)CC1 ZINC000639108486 430527969 /nfs/dbraw/zinc/52/79/69/430527969.db2.gz JTUVUOBHQANEOK-UHFFFAOYSA-N 1 3 310.445 2.902 20 0 DFADHO CN1CCN(CC[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1(C)C ZINC000639135589 430538897 /nfs/dbraw/zinc/53/88/97/430538897.db2.gz FHLIYSPHNWRYPE-UYAOXDASSA-N 1 3 315.505 2.796 20 0 DFADHO C[C@H](NCc1ccncc1OCCC[NH+](C)C)[C@@H]1CC1(F)F ZINC000639185145 430562598 /nfs/dbraw/zinc/56/25/98/430562598.db2.gz HGQIBVFLONKPQS-JSGCOSHPSA-N 1 3 313.392 2.545 20 0 DFADHO CC[C@H](C)[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)OC ZINC000639209963 430572009 /nfs/dbraw/zinc/57/20/09/430572009.db2.gz BVHXGFYEPPWCAX-AQDBYXPISA-N 1 3 312.498 2.621 20 0 DFADHO CC[C@H](C)[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)OC ZINC000639209963 430572014 /nfs/dbraw/zinc/57/20/14/430572014.db2.gz BVHXGFYEPPWCAX-AQDBYXPISA-N 1 3 312.498 2.621 20 0 DFADHO CC[C@@H](C)[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)OC ZINC000639209964 430572932 /nfs/dbraw/zinc/57/29/32/430572932.db2.gz BVHXGFYEPPWCAX-FNNOIMFVSA-N 1 3 312.498 2.621 20 0 DFADHO CC[C@@H](C)[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)OC ZINC000639209964 430572935 /nfs/dbraw/zinc/57/29/35/430572935.db2.gz BVHXGFYEPPWCAX-FNNOIMFVSA-N 1 3 312.498 2.621 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+]C3CC4(C3)CCCCC4)C2)CC1 ZINC000643289068 430574403 /nfs/dbraw/zinc/57/44/03/430574403.db2.gz UHAYHQONBARYHC-MRXNPFEDSA-N 1 3 305.510 2.857 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453211 430602580 /nfs/dbraw/zinc/60/25/80/430602580.db2.gz OXZKIMLVGRIBLE-LBTNJELSSA-N 1 3 323.431 2.769 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CC1(F)F ZINC000639264502 430592959 /nfs/dbraw/zinc/59/29/59/430592959.db2.gz FEOMLTSIVXDRFU-GOEBONIOSA-N 1 3 324.415 2.647 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000552247701 430593259 /nfs/dbraw/zinc/59/32/59/430593259.db2.gz XVRJBYHZGBUBGE-MJKGWSOKSA-N 1 3 313.489 2.900 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000552247701 430593260 /nfs/dbraw/zinc/59/32/60/430593260.db2.gz XVRJBYHZGBUBGE-MJKGWSOKSA-N 1 3 313.489 2.900 20 0 DFADHO Cc1cccc(CN(CCN(C)C)C(=O)CCCC[NH+](C)C)c1 ZINC000552370199 430594992 /nfs/dbraw/zinc/59/49/92/430594992.db2.gz WAPVEZVOOHDQFY-UHFFFAOYSA-N 1 3 319.493 2.617 20 0 DFADHO c1c(CNCC2CC[NH+](C3CCOCC3)CC2)onc1C1CC1 ZINC000639302400 430602496 /nfs/dbraw/zinc/60/24/96/430602496.db2.gz FENOZTAVYCHWOV-UHFFFAOYSA-N 1 3 319.449 2.533 20 0 DFADHO CC(C)Oc1ccc2nccc(N3CCO[C@H]([C@@H](C)[NH3+])C3)c2c1 ZINC000643018373 430542387 /nfs/dbraw/zinc/54/23/87/430542387.db2.gz ZXRUNXJVQHYGCJ-ACJLOTCBSA-N 1 3 315.417 2.574 20 0 DFADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000554724803 430650269 /nfs/dbraw/zinc/65/02/69/430650269.db2.gz TVWNDCBAPTYDBI-DFQSSKMNSA-N 1 3 314.473 2.922 20 0 DFADHO FC(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000643460011 430604035 /nfs/dbraw/zinc/60/40/35/430604035.db2.gz HMPBMXUFKVYJOV-BZUAXINKSA-N 1 3 315.452 2.616 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000643463208 430604059 /nfs/dbraw/zinc/60/40/59/430604059.db2.gz KWUOUVZVCLWBAC-NXHRZFHOSA-N 1 3 321.509 2.678 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1ccnc(Oc2ccccc2)c1 ZINC000643459805 430604685 /nfs/dbraw/zinc/60/46/85/430604685.db2.gz MJYADBTVRSMURF-INIZCTEOSA-N 1 3 315.417 2.717 20 0 DFADHO CO[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)CC(C)C ZINC000639311555 430605828 /nfs/dbraw/zinc/60/58/28/430605828.db2.gz NQNIXETVRNMSCG-LJQANCHMSA-N 1 3 319.493 2.944 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000643493630 430608746 /nfs/dbraw/zinc/60/87/46/430608746.db2.gz ZLBIEZSHJSTURP-YYIAUSFCSA-N 1 3 320.481 2.541 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545680 430615978 /nfs/dbraw/zinc/61/59/78/430615978.db2.gz AHUFSTHRIIETSU-HOCLYGCPSA-N 1 3 301.434 2.668 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643545680 430615982 /nfs/dbraw/zinc/61/59/82/430615982.db2.gz AHUFSTHRIIETSU-HOCLYGCPSA-N 1 3 301.434 2.668 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000639359289 430620625 /nfs/dbraw/zinc/62/06/25/430620625.db2.gz KHVJXVREHPLMRM-QRQLOZEOSA-N 1 3 302.462 2.771 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)C1 ZINC000571344557 430621427 /nfs/dbraw/zinc/62/14/27/430621427.db2.gz UISNMZDMJSCIGT-RBSFLKMASA-N 1 3 323.431 2.789 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)C1 ZINC000571344557 430621431 /nfs/dbraw/zinc/62/14/31/430621431.db2.gz UISNMZDMJSCIGT-RBSFLKMASA-N 1 3 323.431 2.789 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)C1 ZINC000571344555 430622292 /nfs/dbraw/zinc/62/22/92/430622292.db2.gz UISNMZDMJSCIGT-QLFBSQMISA-N 1 3 323.431 2.789 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)C1 ZINC000571344555 430622295 /nfs/dbraw/zinc/62/22/95/430622295.db2.gz UISNMZDMJSCIGT-QLFBSQMISA-N 1 3 323.431 2.789 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000571514208 430632737 /nfs/dbraw/zinc/63/27/37/430632737.db2.gz AEBPMFVEQXSSQZ-DOMZBBRYSA-N 1 3 323.868 2.955 20 0 DFADHO C[C@H]1CC2(CN1Cc1nc3c(s1)CCCC3)CC[NH2+]CC2 ZINC000643973764 430646547 /nfs/dbraw/zinc/64/65/47/430646547.db2.gz HHVIMDGUWNCPSR-ZDUSSCGKSA-N 1 3 305.491 2.986 20 0 DFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCc1cnccn1 ZINC000639580349 430675429 /nfs/dbraw/zinc/67/54/29/430675429.db2.gz MLZCHRJKXXXEHU-IAGOWNOFSA-N 1 3 324.472 2.765 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc[nH]c(=O)c1 ZINC000639589034 430677668 /nfs/dbraw/zinc/67/76/68/430677668.db2.gz IKYWQAYSAAJNFV-QAPCUYQASA-N 1 3 311.429 2.787 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc[nH]c(=O)c1 ZINC000639589034 430677669 /nfs/dbraw/zinc/67/76/69/430677669.db2.gz IKYWQAYSAAJNFV-QAPCUYQASA-N 1 3 311.429 2.787 20 0 DFADHO CCOc1ccc(Cl)cc1[C@@H](C)NCCOCC[NH+](C)C ZINC000556077984 430678090 /nfs/dbraw/zinc/67/80/90/430678090.db2.gz BFQOXGKQKRNWNE-CYBMUJFWSA-N 1 3 314.857 2.968 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)CN1CCCCC1 ZINC000315598339 278210999 /nfs/dbraw/zinc/21/09/99/278210999.db2.gz PEKSFNXCSRAJLK-HZSPNIEDSA-N 1 3 308.388 2.808 20 0 DFADHO CC(C)(C[NH2+][C@H]1CCC[C@H](N)C1)c1ccc2c(c1)OCCO2 ZINC000572662482 430693980 /nfs/dbraw/zinc/69/39/80/430693980.db2.gz NSMAZHVIQNZDRL-GJZGRUSLSA-N 1 3 304.434 2.595 20 0 DFADHO CC(C)(CN[C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000572662482 430693981 /nfs/dbraw/zinc/69/39/81/430693981.db2.gz NSMAZHVIQNZDRL-GJZGRUSLSA-N 1 3 304.434 2.595 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)CN1CCCCC1 ZINC000237334156 278282917 /nfs/dbraw/zinc/28/29/17/278282917.db2.gz ATMJAJCHZKKJRP-AWEZNQCLSA-N 1 3 321.431 2.725 20 0 DFADHO C[C@H]([NH2+]CCCOc1cccc2cccnc21)[C@@H]1CCCNC1 ZINC000572951421 430698425 /nfs/dbraw/zinc/69/84/25/430698425.db2.gz QHOJPGJQLCDNPR-DOTOQJQBSA-N 1 3 313.445 2.981 20 0 DFADHO C[C@H](NCCCOc1cccc2cccnc21)[C@@H]1CCC[NH2+]C1 ZINC000572951421 430698426 /nfs/dbraw/zinc/69/84/26/430698426.db2.gz QHOJPGJQLCDNPR-DOTOQJQBSA-N 1 3 313.445 2.981 20 0 DFADHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cc(Cl)cs2)CC1 ZINC000194385720 278395442 /nfs/dbraw/zinc/39/54/42/278395442.db2.gz CSJFLMPYQLKCJZ-GFCCVEGCSA-N 1 3 316.898 2.926 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000176042050 278466143 /nfs/dbraw/zinc/46/61/43/278466143.db2.gz UTYVVQKTHSEEFR-NJAFHUGGSA-N 1 3 317.477 2.574 20 0 DFADHO COC[C@H](CC1CCOCC1)NCCC[NH+]1CCC(C)CC1 ZINC000657824679 430746336 /nfs/dbraw/zinc/74/63/36/430746336.db2.gz SSUIJYYDYHCQHE-SFHVURJKSA-N 1 3 312.498 2.530 20 0 DFADHO COCC[N@H+](C)CCCN[C@H](C)c1cc2ccncc2s1 ZINC000657833324 430747740 /nfs/dbraw/zinc/74/77/40/430747740.db2.gz JCZOQRLGTOWMKF-CYBMUJFWSA-N 1 3 307.463 2.915 20 0 DFADHO COCC[N@@H+](C)CCCN[C@H](C)c1cc2ccncc2s1 ZINC000657833324 430747744 /nfs/dbraw/zinc/74/77/44/430747744.db2.gz JCZOQRLGTOWMKF-CYBMUJFWSA-N 1 3 307.463 2.915 20 0 DFADHO CC[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCN(C)C)c2)CCO1 ZINC000648427719 430783291 /nfs/dbraw/zinc/78/32/91/430783291.db2.gz TUDYAEPSMOMTLW-IAGOWNOFSA-N 1 3 306.450 2.674 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]C2CC(CF)(CF)C2)cc1 ZINC000657841288 430751242 /nfs/dbraw/zinc/75/12/42/430751242.db2.gz ORCLBRTUSNYWQG-UHFFFAOYSA-N 1 3 312.404 2.804 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCSCC2)C[C@H](C)O1 ZINC000657918548 430766749 /nfs/dbraw/zinc/76/67/49/430766749.db2.gz DXIYIGPEVWMOEZ-OWCLPIDISA-N 1 3 300.512 2.751 20 0 DFADHO C[N@H+](C[C@H](O)CN[C@H]1C[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000644637032 430776381 /nfs/dbraw/zinc/77/63/81/430776381.db2.gz DOJGKQNLHUJGNH-FRFSOERESA-N 1 3 308.853 2.631 20 0 DFADHO C[N@@H+](C[C@H](O)CN[C@H]1C[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000644637032 430776383 /nfs/dbraw/zinc/77/63/83/430776383.db2.gz DOJGKQNLHUJGNH-FRFSOERESA-N 1 3 308.853 2.631 20 0 DFADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN[C@@H]1C[C@H]1c1ccccc1 ZINC000644637910 430777348 /nfs/dbraw/zinc/77/73/48/430777348.db2.gz XETYRAAYJBCFCI-SLFFLAALSA-N 1 3 310.441 2.625 20 0 DFADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CN[C@@H]1C[C@H]1c1ccccc1 ZINC000644637910 430777355 /nfs/dbraw/zinc/77/73/55/430777355.db2.gz XETYRAAYJBCFCI-SLFFLAALSA-N 1 3 310.441 2.625 20 0 DFADHO CCCC[C@@H](COC)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658138565 430824009 /nfs/dbraw/zinc/82/40/09/430824009.db2.gz JJWAYDRCSTURHE-RBUKOAKNSA-N 1 3 320.477 2.548 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CCCc3ccccc3C2)CC1(C)C ZINC000648567340 430825122 /nfs/dbraw/zinc/82/51/22/430825122.db2.gz NTLZDPFHTFVVJZ-LJQANCHMSA-N 1 3 315.505 2.550 20 0 DFADHO COC(C)(C)[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164381 430830178 /nfs/dbraw/zinc/83/01/78/430830178.db2.gz CTDWBMGPUTZFSB-OAHLLOKOSA-N 1 3 305.466 2.697 20 0 DFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCCN(C)C2)CC1 ZINC000648432553 430785443 /nfs/dbraw/zinc/78/54/43/430785443.db2.gz XDAWZWKJCQOMCQ-XLIONFOSSA-N 1 3 315.505 2.766 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCCN(C)C2)CC1 ZINC000648432553 430785447 /nfs/dbraw/zinc/78/54/47/430785447.db2.gz XDAWZWKJCQOMCQ-XLIONFOSSA-N 1 3 315.505 2.766 20 0 DFADHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cn1 ZINC000658067797 430798120 /nfs/dbraw/zinc/79/81/20/430798120.db2.gz QVORTJVGHJMCQY-CQSZACIVSA-N 1 3 321.440 2.762 20 0 DFADHO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1ccc(OCCN(C)C)cc1 ZINC000658250442 430853405 /nfs/dbraw/zinc/85/34/05/430853405.db2.gz FGHPSOLJEXLEGW-WBAXXEDZSA-N 1 3 318.461 2.581 20 0 DFADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC2(N)CCCC2)cc1 ZINC000665247648 430868168 /nfs/dbraw/zinc/86/81/68/430868168.db2.gz GXKZFLSRJYIGRE-QGZVFWFLSA-N 1 3 313.449 2.579 20 0 DFADHO C[C@@H](NCC1([NH3+])CCCC1)c1cccc(OCCN(C)C)c1 ZINC000665249346 430868186 /nfs/dbraw/zinc/86/81/86/430868186.db2.gz OHCULMROTNPZEX-OAHLLOKOSA-N 1 3 305.466 2.549 20 0 DFADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)[C@H]2C[C@H]2C)cc1F ZINC000665259770 430872421 /nfs/dbraw/zinc/87/24/21/430872421.db2.gz PEJKWMQTDIPUPW-WUJVLMNZSA-N 1 3 306.425 2.914 20 0 DFADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)[C@@H]2C[C@H]2C)cc1F ZINC000665259768 430873260 /nfs/dbraw/zinc/87/32/60/430873260.db2.gz PEJKWMQTDIPUPW-ISEYSSJNSA-N 1 3 306.425 2.914 20 0 DFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC23CC(C2)CN3)cc1OC ZINC000665280029 430880170 /nfs/dbraw/zinc/88/01/70/430880170.db2.gz RJZRFGKHBNFDRD-ZBUWUSMVSA-N 1 3 304.434 2.537 20 0 DFADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000665280994 430880737 /nfs/dbraw/zinc/88/07/37/430880737.db2.gz REUIQPSIIIOBSJ-SUMWQHHRSA-N 1 3 318.465 2.995 20 0 DFADHO Fc1ccc(OC(F)F)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000665283859 430882452 /nfs/dbraw/zinc/88/24/52/430882452.db2.gz WJLLYKLEGVWEKL-JTNHKYCSSA-N 1 3 314.351 2.905 20 0 DFADHO c1cn2c(n1)[C@@H](N[C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCc1ccccc1-2 ZINC000665299425 430891594 /nfs/dbraw/zinc/89/15/94/430891594.db2.gz MSFNHGPDZZJGTE-XDNAFOTISA-N 1 3 322.456 2.837 20 0 DFADHO c1cn2c(n1)[C@@H](N[C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCc1ccccc1-2 ZINC000665299424 430891950 /nfs/dbraw/zinc/89/19/50/430891950.db2.gz MSFNHGPDZZJGTE-TVFCKZIOSA-N 1 3 322.456 2.837 20 0 DFADHO C[C@H](CN1CCN(CC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000645076834 430896438 /nfs/dbraw/zinc/89/64/38/430896438.db2.gz XHDCVSHNLBHDIR-GOSISDBHSA-N 1 3 307.526 2.916 20 0 DFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000648907499 430932678 /nfs/dbraw/zinc/93/26/78/430932678.db2.gz BEFOLZSYAFWRKP-AEFFLSMTSA-N 1 3 321.509 2.773 20 0 DFADHO C[C@@H]1[C@H](C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000648923716 430938120 /nfs/dbraw/zinc/93/81/20/430938120.db2.gz PMXQTEJSBSJIHI-HZPDHXFCSA-N 1 3 323.525 2.686 20 0 DFADHO C[C@@H]1[C@H](C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000648923716 430938122 /nfs/dbraw/zinc/93/81/22/430938122.db2.gz PMXQTEJSBSJIHI-HZPDHXFCSA-N 1 3 323.525 2.686 20 0 DFADHO C[N@H+](CCC(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CCCCC1 ZINC000655349945 430971845 /nfs/dbraw/zinc/97/18/45/430971845.db2.gz MTXPIBLGKOWGLB-QZTJIDSGSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@@H+](CCC(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CCCCC1 ZINC000655349945 430971849 /nfs/dbraw/zinc/97/18/49/430971849.db2.gz MTXPIBLGKOWGLB-QZTJIDSGSA-N 1 3 321.509 2.774 20 0 DFADHO CC(C)C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)cc1 ZINC000652154176 430975591 /nfs/dbraw/zinc/97/55/91/430975591.db2.gz YVDQKKDKPHIDMJ-KRWDZBQOSA-N 1 3 308.441 2.959 20 0 DFADHO CCO[C@@H]1C[C@@H](NCCC[N@H+](C)CC(C)C)C12CCOCC2 ZINC000652221905 430991080 /nfs/dbraw/zinc/99/10/80/430991080.db2.gz ACBWZBBADXIMHX-IAGOWNOFSA-N 1 3 312.498 2.528 20 0 DFADHO CCO[C@@H]1C[C@@H](NCCC[N@@H+](C)CC(C)C)C12CCOCC2 ZINC000652221905 430991084 /nfs/dbraw/zinc/99/10/84/430991084.db2.gz ACBWZBBADXIMHX-IAGOWNOFSA-N 1 3 312.498 2.528 20 0 DFADHO CC[C@H](Cn1cncn1)NCCC[N@H+](CC)C1CCCCC1 ZINC000652238217 430999249 /nfs/dbraw/zinc/99/92/49/430999249.db2.gz YJXLOOKSJSFXRO-MRXNPFEDSA-N 1 3 307.486 2.691 20 0 DFADHO CC[C@H](Cn1cncn1)NCCC[N@@H+](CC)C1CCCCC1 ZINC000652238217 430999253 /nfs/dbraw/zinc/99/92/53/430999253.db2.gz YJXLOOKSJSFXRO-MRXNPFEDSA-N 1 3 307.486 2.691 20 0 DFADHO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000652074004 430954199 /nfs/dbraw/zinc/95/41/99/430954199.db2.gz XJTUWQKOFILBHL-MRXNPFEDSA-N 1 3 317.477 2.615 20 0 DFADHO Cn1c(=O)ccc2c1CCC[C@H]2NC1CC[NH+](C(C)(C)C)CC1 ZINC000652074004 430954202 /nfs/dbraw/zinc/95/42/02/430954202.db2.gz XJTUWQKOFILBHL-MRXNPFEDSA-N 1 3 317.477 2.615 20 0 DFADHO Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662257927 431020003 /nfs/dbraw/zinc/02/00/03/431020003.db2.gz RILADUXQLAKZOA-ROUUACIJSA-N 1 3 300.446 2.523 20 0 DFADHO Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662257927 431020007 /nfs/dbraw/zinc/02/00/07/431020007.db2.gz RILADUXQLAKZOA-ROUUACIJSA-N 1 3 300.446 2.523 20 0 DFADHO CC(C)c1cccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000662271999 431026952 /nfs/dbraw/zinc/02/69/52/431026952.db2.gz AZSUHXFMVCMCFS-SFHVURJKSA-N 1 3 302.462 2.997 20 0 DFADHO CO[C@H](C[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000662270991 431027103 /nfs/dbraw/zinc/02/71/03/431027103.db2.gz DBPHGFUWTMLOET-CEXWTWQISA-N 1 3 302.462 2.866 20 0 DFADHO CO[C@H](C[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000662270991 431027106 /nfs/dbraw/zinc/02/71/06/431027106.db2.gz DBPHGFUWTMLOET-CEXWTWQISA-N 1 3 302.462 2.866 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000652352256 431028140 /nfs/dbraw/zinc/02/81/40/431028140.db2.gz YDKZWYAFUVDCSG-KSSFIOAISA-N 1 3 319.424 2.524 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000652352256 431028143 /nfs/dbraw/zinc/02/81/43/431028143.db2.gz YDKZWYAFUVDCSG-KSSFIOAISA-N 1 3 319.424 2.524 20 0 DFADHO NC[C@@H]1C[N@H+](CC[C@@H]2CCc3ccccc32)CC12CCOCC2 ZINC000662272647 431028794 /nfs/dbraw/zinc/02/87/94/431028794.db2.gz GNLQVJLCDDHAIB-ZWKOTPCHSA-N 1 3 314.473 2.794 20 0 DFADHO NC[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CC12CCOCC2 ZINC000662272647 431028800 /nfs/dbraw/zinc/02/88/00/431028800.db2.gz GNLQVJLCDDHAIB-ZWKOTPCHSA-N 1 3 314.473 2.794 20 0 DFADHO C[C@H]1CCCN(CCc2nc3ccccc3n2C)[C@@H]1CC[NH3+] ZINC000652355575 431029707 /nfs/dbraw/zinc/02/97/07/431029707.db2.gz ADDFVIUEXAVRQP-GOEBONIOSA-N 1 3 300.450 2.565 20 0 DFADHO C[C@H]1CCC[N@H+](CCc2nc3ccccc3n2C)[C@@H]1CCN ZINC000652355575 431029711 /nfs/dbraw/zinc/02/97/11/431029711.db2.gz ADDFVIUEXAVRQP-GOEBONIOSA-N 1 3 300.450 2.565 20 0 DFADHO C[C@H]1CCC[N@@H+](CCc2nc3ccccc3n2C)[C@@H]1CCN ZINC000652355575 431029713 /nfs/dbraw/zinc/02/97/13/431029713.db2.gz ADDFVIUEXAVRQP-GOEBONIOSA-N 1 3 300.450 2.565 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000652355201 431029828 /nfs/dbraw/zinc/02/98/28/431029828.db2.gz QVIJBIWHSWKVCY-DYVFJYSZSA-N 1 3 321.440 2.912 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000652355201 431029833 /nfs/dbraw/zinc/02/98/33/431029833.db2.gz QVIJBIWHSWKVCY-DYVFJYSZSA-N 1 3 321.440 2.912 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355201 431029834 /nfs/dbraw/zinc/02/98/34/431029834.db2.gz QVIJBIWHSWKVCY-DYVFJYSZSA-N 1 3 321.440 2.912 20 0 DFADHO C[C@H]1CCCN(CCc2nc3ccccc3n2C)[C@H]1CC[NH3+] ZINC000652355576 431030582 /nfs/dbraw/zinc/03/05/82/431030582.db2.gz ADDFVIUEXAVRQP-HOCLYGCPSA-N 1 3 300.450 2.565 20 0 DFADHO C[C@H]1CCC[N@H+](CCc2nc3ccccc3n2C)[C@H]1CCN ZINC000652355576 431030589 /nfs/dbraw/zinc/03/05/89/431030589.db2.gz ADDFVIUEXAVRQP-HOCLYGCPSA-N 1 3 300.450 2.565 20 0 DFADHO C[C@H]1CCC[N@@H+](CCc2nc3ccccc3n2C)[C@H]1CCN ZINC000652355576 431030596 /nfs/dbraw/zinc/03/05/96/431030596.db2.gz ADDFVIUEXAVRQP-HOCLYGCPSA-N 1 3 300.450 2.565 20 0 DFADHO C[C@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)[C@H]1CCN ZINC000652354747 431030877 /nfs/dbraw/zinc/03/08/77/431030877.db2.gz HFQPJEVXEBSWBU-HOCLYGCPSA-N 1 3 320.433 2.634 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)[C@H]1CCN ZINC000652354747 431030881 /nfs/dbraw/zinc/03/08/81/431030881.db2.gz HFQPJEVXEBSWBU-HOCLYGCPSA-N 1 3 320.433 2.634 20 0 DFADHO C[C@H]1CCCN(CCCOc2ccc3c(c2)OCO3)[C@H]1CC[NH3+] ZINC000652354747 431030885 /nfs/dbraw/zinc/03/08/85/431030885.db2.gz HFQPJEVXEBSWBU-HOCLYGCPSA-N 1 3 320.433 2.634 20 0 DFADHO c1cc(CN2CCC[C@@H](OC3CCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662283683 431032181 /nfs/dbraw/zinc/03/21/81/431032181.db2.gz JJXUNEAAOGNPLB-GOSISDBHSA-N 1 3 300.446 2.866 20 0 DFADHO Fc1ccc(C2(NC[C@@H]3CCC4(C[NH2+]C4)O3)CCCC2)c(F)c1 ZINC000662281743 431032209 /nfs/dbraw/zinc/03/22/09/431032209.db2.gz LPCOCMIPEORTCI-AWEZNQCLSA-N 1 3 322.399 2.845 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCOc2ccccc2F)C1 ZINC000652360377 431032305 /nfs/dbraw/zinc/03/23/05/431032305.db2.gz GHQGYXWWULHCAT-QGPMSJSTSA-N 1 3 322.424 2.565 20 0 DFADHO Fc1ccccc1OCCN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293243 431034570 /nfs/dbraw/zinc/03/45/70/431034570.db2.gz DWZYAAIKJXSLJU-INIZCTEOSA-N 1 3 306.425 2.916 20 0 DFADHO CC(C)c1ccc2c(c1)CN(C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662298653 431037534 /nfs/dbraw/zinc/03/75/34/431037534.db2.gz DRUGZAJUHKODJC-GOSISDBHSA-N 1 3 300.446 2.689 20 0 DFADHO COc1cccc(OCCN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662295408 431038345 /nfs/dbraw/zinc/03/83/45/431038345.db2.gz ZXVRRPXFPBDUQX-QGZVFWFLSA-N 1 3 318.461 2.786 20 0 DFADHO COc1ccc2c(c1)CCN(Cc1cccc3c1CC[NH2+]C3)C2 ZINC000662309995 431041386 /nfs/dbraw/zinc/04/13/86/431041386.db2.gz FUKKDGFVEPYGGL-UHFFFAOYSA-N 1 3 308.425 2.899 20 0 DFADHO C[C@@H]1CCCN(CC(=O)N[C@H]2CCCC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313352 431044376 /nfs/dbraw/zinc/04/43/76/431044376.db2.gz LAFLMMPSZPVKAL-VVLHAWIVSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662352425 431055279 /nfs/dbraw/zinc/05/52/79/431055279.db2.gz VBRHFPCARVOMLH-YJBOKZPZSA-N 1 3 315.461 2.602 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662352425 431055288 /nfs/dbraw/zinc/05/52/88/431055288.db2.gz VBRHFPCARVOMLH-YJBOKZPZSA-N 1 3 315.461 2.602 20 0 DFADHO CC[C@H](NC)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000662389256 431070168 /nfs/dbraw/zinc/07/01/68/431070168.db2.gz WDIUIOUEHUKNDG-YOEHRIQHSA-N 1 3 303.450 2.855 20 0 DFADHO CC[C@H](NC)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000662389256 431070173 /nfs/dbraw/zinc/07/01/73/431070173.db2.gz WDIUIOUEHUKNDG-YOEHRIQHSA-N 1 3 303.450 2.855 20 0 DFADHO C[C@@H](NC(=O)C(C)(C)[C@H](N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000649314633 431066026 /nfs/dbraw/zinc/06/60/26/431066026.db2.gz HPHVXTRRLMWYIP-RHSMWYFYSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H](c1cc2ccccc2o1)N(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249021 431013720 /nfs/dbraw/zinc/01/37/20/431013720.db2.gz NJVKTWBJWXJDPF-UKRRQHHQSA-N 1 3 300.402 2.947 20 0 DFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000659292112 431013861 /nfs/dbraw/zinc/01/38/61/431013861.db2.gz OMRMRCGUPXPOTE-ACJLOTCBSA-N 1 3 309.413 2.557 20 0 DFADHO C[NH+](C)CC[C@H](NC(=O)C[C@@H]1NCc2ccccc21)C(C)(C)C ZINC000659293674 431014860 /nfs/dbraw/zinc/01/48/60/431014860.db2.gz XKZIOXDBLYSFGM-IRXDYDNUSA-N 1 3 317.477 2.704 20 0 DFADHO C[N@H+](CCc1cccc2ccccc21)C[C@H]1CCC2(CNC2)O1 ZINC000662252942 431015195 /nfs/dbraw/zinc/01/51/95/431015195.db2.gz DUWKVTGQCSGBGK-GOSISDBHSA-N 1 3 310.441 2.835 20 0 DFADHO C[N@@H+](CCc1cccc2ccccc21)C[C@H]1CCC2(CNC2)O1 ZINC000662252942 431015198 /nfs/dbraw/zinc/01/51/98/431015198.db2.gz DUWKVTGQCSGBGK-GOSISDBHSA-N 1 3 310.441 2.835 20 0 DFADHO CCC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@H]1CCc2ccccc2C1 ZINC000662255112 431017255 /nfs/dbraw/zinc/01/72/55/431017255.db2.gz WPIHGTXSUADCFR-OALUTQOASA-N 1 3 314.473 2.777 20 0 DFADHO CCC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@H]1CCc2ccccc2C1 ZINC000662255112 431017258 /nfs/dbraw/zinc/01/72/58/431017258.db2.gz WPIHGTXSUADCFR-OALUTQOASA-N 1 3 314.473 2.777 20 0 DFADHO C[NH+](C)Cc1cccc(NC2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000655745210 431110423 /nfs/dbraw/zinc/11/04/23/431110423.db2.gz FZGRXHLLCIDZJG-IBGZPJMESA-N 1 3 317.477 2.804 20 0 DFADHO O[C@@H](CN[C@@H]1CCc2cccc(Cl)c2C1)C[NH+]1CCCCC1 ZINC000666085003 431112147 /nfs/dbraw/zinc/11/21/47/431112147.db2.gz PYGWVCYVCBLECH-CVEARBPZSA-N 1 3 322.880 2.634 20 0 DFADHO C[C@H]1CCC[C@@](CNC(=O)c2cccc3c2CNC3)([NH+](C)C)C1 ZINC000662400757 431071821 /nfs/dbraw/zinc/07/18/21/431071821.db2.gz FLRABBJVOTUSPB-IFXJQAMLSA-N 1 3 315.461 2.530 20 0 DFADHO CC(C)c1ccc([C@@H](N)CNC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000662409818 431072907 /nfs/dbraw/zinc/07/29/07/431072907.db2.gz CXJKTSQFQYCYLI-KRWDZBQOSA-N 1 3 315.461 2.601 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000662409819 431073222 /nfs/dbraw/zinc/07/32/22/431073222.db2.gz CXJKTSQFQYCYLI-QGZVFWFLSA-N 1 3 315.461 2.601 20 0 DFADHO C[NH+](C)C1(CNC(=O)C[C@@H]2NCc3ccccc32)CCCCC1 ZINC000662442322 431081820 /nfs/dbraw/zinc/08/18/20/431081820.db2.gz KRFYWYRSTHROOZ-KRWDZBQOSA-N 1 3 315.461 2.602 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662442948 431082176 /nfs/dbraw/zinc/08/21/76/431082176.db2.gz WLKFQCSYQAFRAT-SFHVURJKSA-N 1 3 317.477 2.849 20 0 DFADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H](N)c1ccccc1 ZINC000662594083 431127798 /nfs/dbraw/zinc/12/77/98/431127798.db2.gz RJIMPXPNYQARDD-ZMSDIMECSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)[C@@H](N)c1ccccc1 ZINC000662594083 431127802 /nfs/dbraw/zinc/12/78/02/431127802.db2.gz RJIMPXPNYQARDD-ZMSDIMECSA-N 1 3 317.477 2.559 20 0 DFADHO CC[NH+](CC)CC1CCN(CCc2nc(C(C)=O)c(C)[nH]2)CC1 ZINC000659842668 431140114 /nfs/dbraw/zinc/14/01/14/431140114.db2.gz CHVQISZKKYYTIE-UHFFFAOYSA-N 1 3 320.481 2.517 20 0 DFADHO CC[NH+](CC)CC1CCN(CCc2nc(C)c(C(C)=O)[nH]2)CC1 ZINC000659842668 431140121 /nfs/dbraw/zinc/14/01/21/431140121.db2.gz CHVQISZKKYYTIE-UHFFFAOYSA-N 1 3 320.481 2.517 20 0 DFADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)N(C)C1CC1 ZINC000274928846 279348417 /nfs/dbraw/zinc/34/84/17/279348417.db2.gz QNICHMBJEQLARC-AOIWGVFYSA-N 1 3 315.505 2.969 20 0 DFADHO CN1CCC[C@H]1C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000649560403 431161377 /nfs/dbraw/zinc/16/13/77/431161377.db2.gz LCXIELPJUMEFDY-IBGZPJMESA-N 1 3 301.478 2.677 20 0 DFADHO CN1CCC[C@H]1C[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000649560403 431161384 /nfs/dbraw/zinc/16/13/84/431161384.db2.gz LCXIELPJUMEFDY-IBGZPJMESA-N 1 3 301.478 2.677 20 0 DFADHO C[NH+](C)CCc1ccc(NC(=O)c2cccc3c2CCNC3)cc1 ZINC000662702462 431167899 /nfs/dbraw/zinc/16/78/99/431167899.db2.gz AJKRRMCGFFUOTG-UHFFFAOYSA-N 1 3 323.440 2.689 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000646073975 431173439 /nfs/dbraw/zinc/17/34/39/431173439.db2.gz MRAXYWYEUISECR-AABGKKOBSA-N 1 3 316.489 2.929 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000646073975 431173446 /nfs/dbraw/zinc/17/34/46/431173446.db2.gz MRAXYWYEUISECR-AABGKKOBSA-N 1 3 316.489 2.929 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1[NH2+]CCC1(C)C)c1ccccc1 ZINC000662719457 431173523 /nfs/dbraw/zinc/17/35/23/431173523.db2.gz ZTXPRXGDUBQXKM-GOEBONIOSA-N 1 3 317.477 2.620 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000659911255 431182400 /nfs/dbraw/zinc/18/24/00/431182400.db2.gz WNCMSWGKTGQKNN-AKHDSKFASA-N 1 3 305.510 2.525 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000659911255 431182407 /nfs/dbraw/zinc/18/24/07/431182407.db2.gz WNCMSWGKTGQKNN-AKHDSKFASA-N 1 3 305.510 2.525 20 0 DFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662745327 431182636 /nfs/dbraw/zinc/18/26/36/431182636.db2.gz LYWSZXABKNICOU-AEFFLSMTSA-N 1 3 315.461 2.554 20 0 DFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662745327 431182646 /nfs/dbraw/zinc/18/26/46/431182646.db2.gz LYWSZXABKNICOU-AEFFLSMTSA-N 1 3 315.461 2.554 20 0 DFADHO Cc1cncc(CC[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000649545607 431153433 /nfs/dbraw/zinc/15/34/33/431153433.db2.gz LDGDZWOXMVEXRK-IBGZPJMESA-N 1 3 324.472 2.781 20 0 DFADHO Cc1cncc(CC[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000649545607 431153438 /nfs/dbraw/zinc/15/34/38/431153438.db2.gz LDGDZWOXMVEXRK-IBGZPJMESA-N 1 3 324.472 2.781 20 0 DFADHO O=C(C[C@H]1NCc2ccccc21)NCCC[NH+]1CCCCCC1 ZINC000662664821 431154922 /nfs/dbraw/zinc/15/49/22/431154922.db2.gz HUGHJFULLWTLSZ-GOSISDBHSA-N 1 3 315.461 2.603 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)C1(NC2CC2)CCC1)CC(C)C ZINC000662674154 431159576 /nfs/dbraw/zinc/15/95/76/431159576.db2.gz WQFRPFJHQCTDMU-MRXNPFEDSA-N 1 3 309.498 2.534 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)c1ccsc1 ZINC000662678847 431160052 /nfs/dbraw/zinc/16/00/52/431160052.db2.gz JYTQJFPHIIFIDA-CABCVRRESA-N 1 3 323.506 2.635 20 0 DFADHO O[C@@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000646297918 431257824 /nfs/dbraw/zinc/25/78/24/431257824.db2.gz KENYQDCAEAGCHN-GOSISDBHSA-N 1 3 318.461 2.508 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000655910573 431212571 /nfs/dbraw/zinc/21/25/71/431212571.db2.gz YQRHNRKBJCATPR-IAGOWNOFSA-N 1 3 316.449 2.592 20 0 DFADHO C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000655909411 431214614 /nfs/dbraw/zinc/21/46/14/431214614.db2.gz JBRYBDPKSKOIML-IRXDYDNUSA-N 1 3 316.449 2.544 20 0 DFADHO O[C@@H]1CCC[C@H]1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000660013412 431234228 /nfs/dbraw/zinc/23/42/28/431234228.db2.gz XEDAXKXARXRJBX-VNTMZGSJSA-N 1 3 314.473 2.886 20 0 DFADHO O[C@@H]1CCC[C@H]1N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000660013412 431234234 /nfs/dbraw/zinc/23/42/34/431234234.db2.gz XEDAXKXARXRJBX-VNTMZGSJSA-N 1 3 314.473 2.886 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000656197278 431304599 /nfs/dbraw/zinc/30/45/99/431304599.db2.gz WWEWGYZJSCZEKQ-QRVBRYPASA-N 1 3 303.494 2.799 20 0 DFADHO CCOCCOCc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000656197190 431306543 /nfs/dbraw/zinc/30/65/43/431306543.db2.gz MLJUBTLMQXQQPT-QZTJIDSGSA-N 1 3 306.450 2.599 20 0 DFADHO CC[N@H+](CCCNC(=O)[C@@H]1C[C@@H](C)CCN1)C1CCCCC1 ZINC000653200972 431306658 /nfs/dbraw/zinc/30/66/58/431306658.db2.gz VVSRCQKZZUEXHA-RDJZCZTQSA-N 1 3 309.498 2.535 20 0 DFADHO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@@H](C)CCN1)C1CCCCC1 ZINC000653200972 431306659 /nfs/dbraw/zinc/30/66/59/431306659.db2.gz VVSRCQKZZUEXHA-RDJZCZTQSA-N 1 3 309.498 2.535 20 0 DFADHO CC(C)[C@H](Cc1ccc(F)cc1)NC[C@H](O)C[N@H+](C)C(C)C ZINC000660213579 431323468 /nfs/dbraw/zinc/32/34/68/431323468.db2.gz SROZNCITDOVIDS-ROUUACIJSA-N 1 3 310.457 2.684 20 0 DFADHO CC(C)[C@H](Cc1ccc(F)cc1)NC[C@H](O)C[N@@H+](C)C(C)C ZINC000660213579 431323473 /nfs/dbraw/zinc/32/34/73/431323473.db2.gz SROZNCITDOVIDS-ROUUACIJSA-N 1 3 310.457 2.684 20 0 DFADHO COc1cc2nccc(N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c2cc1OC ZINC000663235929 431334598 /nfs/dbraw/zinc/33/45/98/431334598.db2.gz BDFSQTZFDUQWLE-BETUJISGSA-N 1 3 313.401 2.583 20 0 DFADHO CC[C@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253289 431336582 /nfs/dbraw/zinc/33/65/82/431336582.db2.gz NXQKQUIWJCSRMJ-HNNXBMFYSA-N 1 3 307.463 2.550 20 0 DFADHO CC(C)[C@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253436 431337437 /nfs/dbraw/zinc/33/74/37/431337437.db2.gz UFOOOFABEIOLCB-INIZCTEOSA-N 1 3 321.490 2.796 20 0 DFADHO CCOCCC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000375014266 279695740 /nfs/dbraw/zinc/69/57/40/279695740.db2.gz ASIFPYQKFCSGBI-QGZVFWFLSA-N 1 3 318.461 2.991 20 0 DFADHO C[C@@H](O)CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000656280235 431351615 /nfs/dbraw/zinc/35/16/15/431351615.db2.gz XJKUSGYIILZPRY-MRXNPFEDSA-N 1 3 318.461 2.506 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CNC1(Cc2ccccc2)CCCC1 ZINC000660276655 431353819 /nfs/dbraw/zinc/35/38/19/431353819.db2.gz RLZCYPZTDWZSML-GOSISDBHSA-N 1 3 304.478 2.833 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CNC1(Cc2ccccc2)CCCC1 ZINC000660276655 431353825 /nfs/dbraw/zinc/35/38/25/431353825.db2.gz RLZCYPZTDWZSML-GOSISDBHSA-N 1 3 304.478 2.833 20 0 DFADHO COc1cccc(CN[C@@H]2CC23CC[NH2+]CC3)c1OC(F)F ZINC000666950956 431420706 /nfs/dbraw/zinc/42/07/06/431420706.db2.gz SWTSUHWFRUPFCG-CYBMUJFWSA-N 1 3 312.360 2.528 20 0 DFADHO CCCOc1ccc(CN[C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666952080 431422171 /nfs/dbraw/zinc/42/21/71/431422171.db2.gz FJBFGEYDEHUEIX-KRWDZBQOSA-N 1 3 304.434 2.716 20 0 DFADHO CCC[C@@H](N)c1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656469010 431396415 /nfs/dbraw/zinc/39/64/15/431396415.db2.gz YMMOTPFXSLXTMK-DLBZAZTESA-N 1 3 313.449 2.600 20 0 DFADHO CCC[C@@H](N)c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656469010 431396422 /nfs/dbraw/zinc/39/64/22/431396422.db2.gz YMMOTPFXSLXTMK-DLBZAZTESA-N 1 3 313.449 2.600 20 0 DFADHO COc1cccc2c1CC[C@H]([NH2+][C@H]1CCNC3(CCC3)C1)C2 ZINC000666993754 431437979 /nfs/dbraw/zinc/43/79/79/431437979.db2.gz HGPQFLGTPAJTCJ-HOTGVXAUSA-N 1 3 300.446 2.817 20 0 DFADHO COc1cccc2c1CC[C@H](N[C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC000666993754 431437984 /nfs/dbraw/zinc/43/79/84/431437984.db2.gz HGPQFLGTPAJTCJ-HOTGVXAUSA-N 1 3 300.446 2.817 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995289 431438351 /nfs/dbraw/zinc/43/83/51/431438351.db2.gz JSNNAZPBOIPUSG-BBRMVZONSA-N 1 3 319.424 2.807 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995289 431438353 /nfs/dbraw/zinc/43/83/53/431438353.db2.gz JSNNAZPBOIPUSG-BBRMVZONSA-N 1 3 319.424 2.807 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)cc1OC ZINC000666995241 431438781 /nfs/dbraw/zinc/43/87/81/431438781.db2.gz HMHWJCLTWGJOLF-GOEBONIOSA-N 1 3 318.461 2.899 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666995241 431438786 /nfs/dbraw/zinc/43/87/86/431438786.db2.gz HMHWJCLTWGJOLF-GOEBONIOSA-N 1 3 318.461 2.899 20 0 DFADHO C[C@@H]1C[NH2+]CC[C@@H]1CN1CCNC[C@H]1c1ccccc1Cl ZINC000663495249 431442484 /nfs/dbraw/zinc/44/24/84/431442484.db2.gz WIEIYBDPNLAMBV-CPUCHLNUSA-N 1 3 307.869 2.532 20 0 DFADHO CC[C@H](NCCN(C)CCC[NH+](C)C)c1ccc(F)cc1F ZINC000656681787 431473209 /nfs/dbraw/zinc/47/32/09/431473209.db2.gz LJIKKRUCPYRACT-KRWDZBQOSA-N 1 3 313.436 2.889 20 0 DFADHO FCCOCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000663463104 431427782 /nfs/dbraw/zinc/42/77/82/431427782.db2.gz WKYKJFXEPVKJAL-GUDVDZBRSA-N 1 3 320.452 2.863 20 0 DFADHO FCCOCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000663463104 431427795 /nfs/dbraw/zinc/42/77/95/431427795.db2.gz WKYKJFXEPVKJAL-GUDVDZBRSA-N 1 3 320.452 2.863 20 0 DFADHO FCCOCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000663463104 431427802 /nfs/dbraw/zinc/42/78/02/431427802.db2.gz WKYKJFXEPVKJAL-GUDVDZBRSA-N 1 3 320.452 2.863 20 0 DFADHO FCCOCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000663463105 431429089 /nfs/dbraw/zinc/42/90/89/431429089.db2.gz WKYKJFXEPVKJAL-IPMKNSEASA-N 1 3 320.452 2.863 20 0 DFADHO FCCOCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000663463105 431429094 /nfs/dbraw/zinc/42/90/94/431429094.db2.gz WKYKJFXEPVKJAL-IPMKNSEASA-N 1 3 320.452 2.863 20 0 DFADHO FCCOCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000663463105 431429101 /nfs/dbraw/zinc/42/91/01/431429101.db2.gz WKYKJFXEPVKJAL-IPMKNSEASA-N 1 3 320.452 2.863 20 0 DFADHO Clc1ccccc1N1CC[C@@H](C[NH2+][C@@H]2CCCNCC2)C1 ZINC000656787359 431521717 /nfs/dbraw/zinc/52/17/17/431521717.db2.gz IHNHBJWZHGZDKN-LSDHHAIUSA-N 1 3 307.869 2.898 20 0 DFADHO Cn1c2ccccc2nc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786516 431523066 /nfs/dbraw/zinc/52/30/66/431523066.db2.gz TZNJHQMTONUGAB-MRXNPFEDSA-N 1 3 312.461 2.785 20 0 DFADHO C[N@@H+]1C[C@@H](CNCc2[nH]nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000647248774 431528091 /nfs/dbraw/zinc/52/80/91/431528091.db2.gz BVAGKUMNAUXHBW-AEFFLSMTSA-N 1 3 320.440 2.998 20 0 DFADHO C[N@H+]1C[C@@H](CNCc2[nH]nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000647248774 431528101 /nfs/dbraw/zinc/52/81/01/431528101.db2.gz BVAGKUMNAUXHBW-AEFFLSMTSA-N 1 3 320.440 2.998 20 0 DFADHO CN1C[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000647248774 431528108 /nfs/dbraw/zinc/52/81/08/431528108.db2.gz BVAGKUMNAUXHBW-AEFFLSMTSA-N 1 3 320.440 2.998 20 0 DFADHO CC[NH+](CC)CCOc1ccccc1CN[C@H]1CO[C@@H](C)C1 ZINC000647171911 431492419 /nfs/dbraw/zinc/49/24/19/431492419.db2.gz AEFXEXMWNSBCTM-DOTOQJQBSA-N 1 3 306.450 2.674 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000647343970 431560327 /nfs/dbraw/zinc/56/03/27/431560327.db2.gz GTFJNXSCJSSPBN-RNQOJCNYSA-N 1 3 315.505 2.652 20 0 DFADHO COc1ccc(COCC[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000660658388 431537642 /nfs/dbraw/zinc/53/76/42/431537642.db2.gz FUPMPRGRRZEKSZ-IBGZPJMESA-N 1 3 318.461 2.630 20 0 DFADHO COc1ccc(COCC[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000660658388 431537649 /nfs/dbraw/zinc/53/76/49/431537649.db2.gz FUPMPRGRRZEKSZ-IBGZPJMESA-N 1 3 318.461 2.630 20 0 DFADHO CC(C)C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccncc1 ZINC000647288250 431540406 /nfs/dbraw/zinc/54/04/06/431540406.db2.gz VSLSLOSFUKJMIC-IBGZPJMESA-N 1 3 318.509 2.786 20 0 DFADHO CC(C)[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)N1CCCCC1 ZINC000080718313 280168344 /nfs/dbraw/zinc/16/83/44/280168344.db2.gz GPRXUWOPRZFBKA-HQSKLWIPSA-N 1 3 321.509 2.628 20 0 DFADHO CC(C)[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)N1CCCCC1 ZINC000080718313 280168347 /nfs/dbraw/zinc/16/83/47/280168347.db2.gz GPRXUWOPRZFBKA-HQSKLWIPSA-N 1 3 321.509 2.628 20 0 DFADHO CC[C@@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000133302728 280197526 /nfs/dbraw/zinc/19/75/26/280197526.db2.gz AMYDXYHIALEMNV-VNQPRFMTSA-N 1 3 304.434 2.981 20 0 DFADHO CC[C@@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000133302728 280197529 /nfs/dbraw/zinc/19/75/29/280197529.db2.gz AMYDXYHIALEMNV-VNQPRFMTSA-N 1 3 304.434 2.981 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2CC2CCCC2)CC1 ZINC000653894076 431572330 /nfs/dbraw/zinc/57/23/30/431572330.db2.gz UBEGQAQKNURXNY-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CCN(c2[nH+]ccc3[nH]ccc32)C[C@H]1Cc1ccccc1 ZINC000663887203 431579864 /nfs/dbraw/zinc/57/98/64/431579864.db2.gz DURBSRIWCBKOJN-MRXNPFEDSA-N 1 3 306.413 2.926 20 0 DFADHO CN1CCN(c2[nH+]ccc3[nH]ccc32)C[C@@H]1Cc1ccccc1 ZINC000663887202 431580550 /nfs/dbraw/zinc/58/05/50/431580550.db2.gz DURBSRIWCBKOJN-INIZCTEOSA-N 1 3 306.413 2.926 20 0 DFADHO Cc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1F ZINC000650707138 431653325 /nfs/dbraw/zinc/65/33/25/431653325.db2.gz ZGXSVDBAQKJXOP-LZLYRXPVSA-N 1 3 306.425 2.852 20 0 DFADHO Cc1nn(-c2ccncc2)cc1CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650711203 431657584 /nfs/dbraw/zinc/65/75/84/431657584.db2.gz LJRNXCNGGVPNNS-RDTXWAMCSA-N 1 3 313.449 2.525 20 0 DFADHO [NH3+]CC1(CCNCc2c(F)cccc2Br)CC1 ZINC000650714000 431660529 /nfs/dbraw/zinc/66/05/29/431660529.db2.gz MLNBMVARIGYSJG-UHFFFAOYSA-N 1 3 301.203 2.807 20 0 DFADHO c1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000647544165 431625603 /nfs/dbraw/zinc/62/56/03/431625603.db2.gz XSBYUNKTSWARFZ-CVEARBPZSA-N 1 3 316.445 2.669 20 0 DFADHO c1cc2c(c(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c1)OCO2 ZINC000647542942 431626144 /nfs/dbraw/zinc/62/61/44/431626144.db2.gz FAVXDTGZRLBEBL-GJZGRUSLSA-N 1 3 302.418 2.627 20 0 DFADHO CCN1CCN(c2ccc(N[C@H]3C[NH2+]C[C@H](C)C3)c(C)c2)CC1 ZINC000647547760 431628575 /nfs/dbraw/zinc/62/85/75/431628575.db2.gz CFRQWYCPQJCEIB-NVXWUHKLSA-N 1 3 316.493 2.547 20 0 DFADHO c1coc(-c2nc(CN[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cs2)c1 ZINC000647549911 431629076 /nfs/dbraw/zinc/62/90/76/431629076.db2.gz XLTXMHMXSMBQBX-JHJVBQTASA-N 1 3 303.431 2.881 20 0 DFADHO Cc1ccc2cc(C[NH2+]C3CCN(CCN(C)C)CC3)[nH]c2c1 ZINC000657306266 431661784 /nfs/dbraw/zinc/66/17/84/431661784.db2.gz TXFJUTDUNCMMIJ-UHFFFAOYSA-N 1 3 314.477 2.592 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cnc3n2CCC3)C1 ZINC000657313865 431669031 /nfs/dbraw/zinc/66/90/31/431669031.db2.gz WLQQJASKBBZSGL-HOTGVXAUSA-N 1 3 304.482 2.677 20 0 DFADHO Cc1cc(C(F)(F)F)cc(NCC[N@@H+](C)CCCN(C)C)n1 ZINC000664245364 431712943 /nfs/dbraw/zinc/71/29/43/431712943.db2.gz PGEPWRXHCUEIEH-UHFFFAOYSA-N 1 3 318.387 2.704 20 0 DFADHO Cc1cc(C(F)(F)F)cc(NCC[N@H+](C)CCCN(C)C)n1 ZINC000664245364 431712949 /nfs/dbraw/zinc/71/29/49/431712949.db2.gz PGEPWRXHCUEIEH-UHFFFAOYSA-N 1 3 318.387 2.704 20 0 DFADHO C[C@H](NCCC1(C[NH3+])CC1)c1ncc(Br)s1 ZINC000650745611 431677988 /nfs/dbraw/zinc/67/79/88/431677988.db2.gz KNGBVAUFTCUNKG-QMMMGPOBSA-N 1 3 304.257 2.685 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCCNC1 ZINC000650760898 431685222 /nfs/dbraw/zinc/68/52/22/431685222.db2.gz OIWPVCVACKIKKH-YPMHNXCESA-N 1 3 312.360 2.528 20 0 DFADHO C[C@@H](NCCc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCC[NH2+]C1 ZINC000650760898 431685225 /nfs/dbraw/zinc/68/52/25/431685225.db2.gz OIWPVCVACKIKKH-YPMHNXCESA-N 1 3 312.360 2.528 20 0 DFADHO COc1ccc(CCC2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647874359 431713349 /nfs/dbraw/zinc/71/33/49/431713349.db2.gz NFVWOMYVVOCGGC-GOSISDBHSA-N 1 3 302.462 2.949 20 0 DFADHO Fc1cc(F)c(F)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1F ZINC000647789591 431688309 /nfs/dbraw/zinc/68/83/09/431688309.db2.gz HQZQDPLYZIWHDZ-OPRDCNLKSA-N 1 3 302.315 2.721 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nccc2c(N)cccc21 ZINC000664194988 431691673 /nfs/dbraw/zinc/69/16/73/431691673.db2.gz JEMCQQLBVYXRCG-AWEZNQCLSA-N 1 3 315.465 2.501 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nccc2c(N)cccc21 ZINC000664194988 431691678 /nfs/dbraw/zinc/69/16/78/431691678.db2.gz JEMCQQLBVYXRCG-AWEZNQCLSA-N 1 3 315.465 2.501 20 0 DFADHO CCOc1ccc(C[NH2+]CCCN2CCCN(C)CC2)c(C)c1 ZINC000657349746 431693513 /nfs/dbraw/zinc/69/35/13/431693513.db2.gz LDGCSVWOPQIFKX-UHFFFAOYSA-N 1 3 319.493 2.511 20 0 DFADHO Cc1cccc2nc(CCN[C@@H](Cc3ccccc3)[C@@H](C)[NH3+])cn21 ZINC000647804585 431694105 /nfs/dbraw/zinc/69/41/05/431694105.db2.gz VCUVZDMXNGVFDZ-APWZRJJASA-N 1 3 322.456 2.733 20 0 DFADHO CC[C@@H]1C[C@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CO1 ZINC000657354587 431695885 /nfs/dbraw/zinc/69/58/85/431695885.db2.gz SGDUOQUITZXMRF-CEXWTWQISA-N 1 3 302.462 2.708 20 0 DFADHO CC[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000657354587 431695891 /nfs/dbraw/zinc/69/58/91/431695891.db2.gz SGDUOQUITZXMRF-CEXWTWQISA-N 1 3 302.462 2.708 20 0 DFADHO c1ccc(CCOCCCN(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814846 431695974 /nfs/dbraw/zinc/69/59/74/431695974.db2.gz IMDJFIIGRKOFDQ-UHFFFAOYSA-N 1 3 302.462 2.852 20 0 DFADHO COc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1F ZINC000650722453 431663884 /nfs/dbraw/zinc/66/38/84/431663884.db2.gz UGZHDFAIJZPIRA-KYJSFNMBSA-N 1 3 322.424 2.695 20 0 DFADHO C[C@@H]([NH2+]Cc1cnn2c1CCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000657429190 431743515 /nfs/dbraw/zinc/74/35/15/431743515.db2.gz DSOJNRWBWHSJPJ-SJLPKXTDSA-N 1 3 324.472 2.830 20 0 DFADHO Fc1cccc([C@H]2CNCCN2CCCC2CC[NH2+]CC2)c1 ZINC000647953317 431748664 /nfs/dbraw/zinc/74/86/64/431748664.db2.gz IGAKPENZRUHUAB-GOSISDBHSA-N 1 3 305.441 2.552 20 0 DFADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966567 431753314 /nfs/dbraw/zinc/75/33/14/431753314.db2.gz ZJKBHSOPIRPCLN-DLBZAZTESA-N 1 3 323.525 2.545 20 0 DFADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966567 431753320 /nfs/dbraw/zinc/75/33/20/431753320.db2.gz ZJKBHSOPIRPCLN-DLBZAZTESA-N 1 3 323.525 2.545 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966567 431753325 /nfs/dbraw/zinc/75/33/25/431753325.db2.gz ZJKBHSOPIRPCLN-DLBZAZTESA-N 1 3 323.525 2.545 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966567 431753332 /nfs/dbraw/zinc/75/33/32/431753332.db2.gz ZJKBHSOPIRPCLN-DLBZAZTESA-N 1 3 323.525 2.545 20 0 DFADHO COc1cccc2c1ccnc2NCC[N@H+](C)CCCN(C)C ZINC000664246236 431715299 /nfs/dbraw/zinc/71/52/99/431715299.db2.gz VZNIODARDDMDAU-UHFFFAOYSA-N 1 3 316.449 2.539 20 0 DFADHO COc1cccc2c1ccnc2NCC[N@@H+](C)CCCN(C)C ZINC000664246236 431715304 /nfs/dbraw/zinc/71/53/04/431715304.db2.gz VZNIODARDDMDAU-UHFFFAOYSA-N 1 3 316.449 2.539 20 0 DFADHO CN(CCC[NH+](C)C)CCNc1ccnc2cc(F)ccc21 ZINC000664248187 431717023 /nfs/dbraw/zinc/71/70/23/431717023.db2.gz PJZUVZSNYLIDGD-UHFFFAOYSA-N 1 3 304.413 2.669 20 0 DFADHO CN(C)CCC[N@H+](C)CCNc1ccnc2cc(F)ccc21 ZINC000664248187 431717027 /nfs/dbraw/zinc/71/70/27/431717027.db2.gz PJZUVZSNYLIDGD-UHFFFAOYSA-N 1 3 304.413 2.669 20 0 DFADHO CN(C)CCC[N@@H+](C)CCNc1ccnc2cc(F)ccc21 ZINC000664248187 431717034 /nfs/dbraw/zinc/71/70/34/431717034.db2.gz PJZUVZSNYLIDGD-UHFFFAOYSA-N 1 3 304.413 2.669 20 0 DFADHO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000661230727 431788405 /nfs/dbraw/zinc/78/84/05/431788405.db2.gz CORTYXGKNMMBBT-NVXWUHKLSA-N 1 3 319.493 2.820 20 0 DFADHO Cc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657594952 431820811 /nfs/dbraw/zinc/82/08/11/431820811.db2.gz LPDHGGUQCMJXEM-QGZVFWFLSA-N 1 3 316.470 2.913 20 0 DFADHO Cc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657594952 431820817 /nfs/dbraw/zinc/82/08/17/431820817.db2.gz LPDHGGUQCMJXEM-QGZVFWFLSA-N 1 3 316.470 2.913 20 0 DFADHO Cc1noc(C)c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613320 431825544 /nfs/dbraw/zinc/82/55/44/431825544.db2.gz YFUDTOAQDCMUPA-UHFFFAOYSA-N 1 3 314.433 2.688 20 0 DFADHO Cc1ccc([C@H](O)CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171138692 280993454 /nfs/dbraw/zinc/99/34/54/280993454.db2.gz OQELIEAFFGHBFS-LJQANCHMSA-N 1 3 302.462 2.836 20 0 DFADHO Cc1cccc2c1CC[C@@H]2NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000358304387 281269487 /nfs/dbraw/zinc/26/94/87/281269487.db2.gz RWANGIWOKXLHLG-XUVXKRRUSA-N 1 3 314.473 2.950 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCSC(C)(C)C ZINC000370172469 289322586 /nfs/dbraw/zinc/32/25/86/289322586.db2.gz KXJBGRZZISFUGP-RBSFLKMASA-N 1 3 300.512 2.702 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H](c2ccccc2)C2CCCC2)CC1 ZINC000359321726 289888489 /nfs/dbraw/zinc/88/84/89/289888489.db2.gz LRBZRUOUFIFGSC-GOSISDBHSA-N 1 3 302.462 2.964 20 0 DFADHO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000290112136 290036101 /nfs/dbraw/zinc/03/61/01/290036101.db2.gz ITNOWVALWQYDJI-HNAYVOBHSA-N 1 3 320.477 2.829 20 0 DFADHO Cc1nc(C)c([C@H](C)NCCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000248217543 293245005 /nfs/dbraw/zinc/24/50/05/293245005.db2.gz ZYFHLIZFJYRLBW-WFASDCNBSA-N 1 3 311.495 2.647 20 0 DFADHO Cc1nc(C)c([C@H](C)NCCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000248217543 293245006 /nfs/dbraw/zinc/24/50/06/293245006.db2.gz ZYFHLIZFJYRLBW-WFASDCNBSA-N 1 3 311.495 2.647 20 0 DFADHO O[C@H]1CCCC[C@@H]1CCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000436470066 297004429 /nfs/dbraw/zinc/00/44/29/297004429.db2.gz HYJMFHWPEGMESZ-APWZRJJASA-N 1 3 317.477 2.971 20 0 DFADHO COCc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000436481381 297005982 /nfs/dbraw/zinc/00/59/82/297005982.db2.gz ZJUZRAGRNMQSSG-UHFFFAOYSA-N 1 3 311.429 2.987 20 0 DFADHO C[C@H](C[NH+]1CCC(OCCN(C)C)CC1)c1ccc(F)cc1 ZINC000438116843 297081025 /nfs/dbraw/zinc/08/10/25/297081025.db2.gz NSBVPQRZYYXXOF-OAHLLOKOSA-N 1 3 308.441 2.972 20 0 DFADHO Cc1cc(C)cc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)c1 ZINC000154337770 295297422 /nfs/dbraw/zinc/29/74/22/295297422.db2.gz KHTLGJVBLIFUOK-GOSISDBHSA-N 1 3 303.494 2.982 20 0 DFADHO CC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(OC)c1 ZINC000154355537 295297879 /nfs/dbraw/zinc/29/78/79/295297879.db2.gz HQALMDNUKDTGRL-IBGZPJMESA-N 1 3 319.493 2.764 20 0 DFADHO Cc1cccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)c1C ZINC000154355191 295298252 /nfs/dbraw/zinc/29/82/52/295298252.db2.gz SKQCCQWQMMBERN-SFHVURJKSA-N 1 3 303.494 2.982 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000154422156 295300156 /nfs/dbraw/zinc/30/01/56/295300156.db2.gz YTRSNAGMOIJWQQ-LJQANCHMSA-N 1 3 301.478 2.681 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2c(C)noc2C)[C@H](C)C1 ZINC000155974886 295329034 /nfs/dbraw/zinc/32/90/34/295329034.db2.gz GABTYLNPFGUMNL-RDTXWAMCSA-N 1 3 323.481 2.561 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2c(C)noc2C)[C@H](C)C1 ZINC000155974886 295329035 /nfs/dbraw/zinc/32/90/35/295329035.db2.gz GABTYLNPFGUMNL-RDTXWAMCSA-N 1 3 323.481 2.561 20 0 DFADHO CCC[C@@](C)(N)C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370763946 295462651 /nfs/dbraw/zinc/46/26/51/295462651.db2.gz SBVMWAHKOGYJAL-JFUPDXTOSA-N 1 3 309.498 2.663 20 0 DFADHO OC1(C[NH2+]C2CCCCC2)CCN(Cc2ccccc2)CC1 ZINC000397499707 295488051 /nfs/dbraw/zinc/48/80/51/295488051.db2.gz VGMJQKZEDXTHNE-UHFFFAOYSA-N 1 3 302.462 2.936 20 0 DFADHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC(C)CC1 ZINC000438558073 297098499 /nfs/dbraw/zinc/09/84/99/297098499.db2.gz ZYALEAJCTZIWJX-AEFFLSMTSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)N1CCC(C)CC1 ZINC000438558073 297098502 /nfs/dbraw/zinc/09/85/02/297098502.db2.gz ZYALEAJCTZIWJX-AEFFLSMTSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439027178 297112417 /nfs/dbraw/zinc/11/24/17/297112417.db2.gz NMNXWOJTQZCGBG-GASCZTMLSA-N 1 3 323.506 2.511 20 0 DFADHO C[NH+](C)C1(CNC(=O)[C@H]2CCCN2C2CCCC2)CCCCC1 ZINC000440156946 297146096 /nfs/dbraw/zinc/14/60/96/297146096.db2.gz PPOSOCXUVOVIER-QGZVFWFLSA-N 1 3 321.509 2.774 20 0 DFADHO OC[C@@]1([NH2+]CCCN2CCCCC2)CCCc2ccccc21 ZINC000440818289 297166473 /nfs/dbraw/zinc/16/64/73/297166473.db2.gz JECCZFFXZPNFOM-IBGZPJMESA-N 1 3 302.462 2.676 20 0 DFADHO COC1CCCCC1[NH2+]C1CCCN(c2cccc(F)c2)C1=O ZINC000441250504 297177482 /nfs/dbraw/zinc/17/74/82/297177482.db2.gz AEWMFRNUHYJIMO-BBWFWOEESA-N 1 3 320.408 2.868 20 0 DFADHO Cc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1Cl ZINC000441351106 297180689 /nfs/dbraw/zinc/18/06/89/297180689.db2.gz IUMDYENJPFOAKY-UHFFFAOYSA-N 1 3 309.885 2.764 20 0 DFADHO C[C@H]1C[C@@H](C[NH3+])CN1CCOc1ccc(C(F)(F)F)cc1 ZINC000442773856 297205278 /nfs/dbraw/zinc/20/52/78/297205278.db2.gz DHEFSXWZFWDGNR-RYUDHWBXSA-N 1 3 302.340 2.753 20 0 DFADHO C[C@H]1C[C@H](C[NH3+])CN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000442788780 297206286 /nfs/dbraw/zinc/20/62/86/297206286.db2.gz IZMODPCAWJAIDH-NWDGAFQWSA-N 1 3 320.824 2.602 20 0 DFADHO Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443057049 297213997 /nfs/dbraw/zinc/21/39/97/297213997.db2.gz FDXRERKLRGHBGF-HOTGVXAUSA-N 1 3 303.450 2.691 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000443086849 297215583 /nfs/dbraw/zinc/21/55/83/297215583.db2.gz HRGILBRZYVPQPI-RDTXWAMCSA-N 1 3 321.896 2.628 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000443086849 297215584 /nfs/dbraw/zinc/21/55/84/297215584.db2.gz HRGILBRZYVPQPI-RDTXWAMCSA-N 1 3 321.896 2.628 20 0 DFADHO CCC[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC000443101709 297215978 /nfs/dbraw/zinc/21/59/78/297215978.db2.gz MRIARSIMKVSSFR-HOCLYGCPSA-N 1 3 323.506 2.766 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)CCN1C ZINC000154004574 297283865 /nfs/dbraw/zinc/28/38/65/297283865.db2.gz JLVJKFPHXHJOFG-IKGGRYGDSA-N 1 3 305.466 2.879 20 0 DFADHO Brc1ccc(CNCC2CC[NH+](C3CC3)CC2)nc1 ZINC000446882266 297289148 /nfs/dbraw/zinc/28/91/48/297289148.db2.gz BPZCHHQLQFASFK-UHFFFAOYSA-N 1 3 324.266 2.808 20 0 DFADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@H](C)c1nc2ccccc2s1 ZINC000447594096 297309981 /nfs/dbraw/zinc/30/99/81/297309981.db2.gz WWTQRXYVPHKUJW-UONOGXRCSA-N 1 3 321.490 2.956 20 0 DFADHO CN(C)CCOCC[NH2+][C@@H]1CCC[C@H]1CCc1ccccc1 ZINC000447603960 297310706 /nfs/dbraw/zinc/31/07/06/297310706.db2.gz XZQOOQPRAICZRL-RBUKOAKNSA-N 1 3 304.478 2.956 20 0 DFADHO C[C@H](CCNC[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000447822093 297318641 /nfs/dbraw/zinc/31/86/41/297318641.db2.gz PAOAXNRWQDXVQR-MJGOQNOKSA-N 1 3 304.478 2.863 20 0 DFADHO Cc1cccc(CCN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000449048569 297397429 /nfs/dbraw/zinc/39/74/29/297397429.db2.gz PWAKVBHXAMCJOC-CEXWTWQISA-N 1 3 302.462 2.721 20 0 DFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C2CCN(C)CC2)CC1 ZINC000449063330 297399009 /nfs/dbraw/zinc/39/90/09/297399009.db2.gz PCEPLJGBPCZTTH-KRWDZBQOSA-N 1 3 315.505 2.766 20 0 DFADHO CN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453053759 298057726 /nfs/dbraw/zinc/05/77/26/298057726.db2.gz GRAQDHYUEMCKSR-ZCNNSNEGSA-N 1 3 315.505 2.971 20 0 DFADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccncc1 ZINC000453157527 298067399 /nfs/dbraw/zinc/06/73/99/298067399.db2.gz GOIHOFFJEWUILP-IPMKNSEASA-N 1 3 317.477 2.890 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453179638 298069344 /nfs/dbraw/zinc/06/93/44/298069344.db2.gz UYYOJGIXIOTDQQ-XWSJACJDSA-N 1 3 300.446 2.808 20 0 DFADHO c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453179638 298069346 /nfs/dbraw/zinc/06/93/46/298069346.db2.gz UYYOJGIXIOTDQQ-XWSJACJDSA-N 1 3 300.446 2.808 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453220286 298072252 /nfs/dbraw/zinc/07/22/52/298072252.db2.gz JTFBEEHNVXEXOT-SFHVURJKSA-N 1 3 303.450 2.690 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cccc(OCCN(C)C)c1 ZINC000453401425 298090302 /nfs/dbraw/zinc/09/03/02/298090302.db2.gz DQMDZKCNLLOSDO-VKJFTORMSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(OCCN(C)C)cc1 ZINC000453401792 298090504 /nfs/dbraw/zinc/09/05/04/298090504.db2.gz FCYKCPWVOBUVSK-RKVPGOIHSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245204081 298157521 /nfs/dbraw/zinc/15/75/21/298157521.db2.gz YODAJMXZMTXYQS-HPFXQQBRSA-N 1 3 317.477 2.667 20 0 DFADHO C[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245204081 298157523 /nfs/dbraw/zinc/15/75/23/298157523.db2.gz YODAJMXZMTXYQS-HPFXQQBRSA-N 1 3 317.477 2.667 20 0 DFADHO COC(=O)Nc1ccc(CC[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000497106864 300162576 /nfs/dbraw/zinc/16/25/76/300162576.db2.gz MBWZURQKKKTZLL-HOCLYGCPSA-N 1 3 305.422 2.515 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000507489787 300236324 /nfs/dbraw/zinc/23/63/24/300236324.db2.gz YFQSDNRHMQFEPK-DFQSSKMNSA-N 1 3 316.489 2.956 20 0 DFADHO COCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000514092360 300259410 /nfs/dbraw/zinc/25/94/10/300259410.db2.gz FAVHWXNCUDXGAS-CEXWTWQISA-N 1 3 302.462 2.913 20 0 DFADHO COCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000514092360 300259413 /nfs/dbraw/zinc/25/94/13/300259413.db2.gz FAVHWXNCUDXGAS-CEXWTWQISA-N 1 3 302.462 2.913 20 0 DFADHO COCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000514092360 300259415 /nfs/dbraw/zinc/25/94/15/300259415.db2.gz FAVHWXNCUDXGAS-CEXWTWQISA-N 1 3 302.462 2.913 20 0 DFADHO C[C@H]([NH2+]CCc1ccccc1Br)[C@@H]1CCCNC1 ZINC000515053311 300286922 /nfs/dbraw/zinc/28/69/22/300286922.db2.gz MXUHBPQAOQQNBN-GXTWGEPZSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H](NCCc1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000515053311 300286924 /nfs/dbraw/zinc/28/69/24/300286924.db2.gz MXUHBPQAOQQNBN-GXTWGEPZSA-N 1 3 311.267 2.969 20 0 DFADHO FC(F)(F)CN1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000515053402 300287093 /nfs/dbraw/zinc/28/70/93/300287093.db2.gz YBQXGQGBKKWNDA-GBJTYRQASA-N 1 3 319.415 2.523 20 0 DFADHO CN1CCC[C@@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000515654469 300316992 /nfs/dbraw/zinc/31/69/92/300316992.db2.gz SUGSTEDGBWPAJG-DLBZAZTESA-N 1 3 309.498 2.522 20 0 DFADHO COc1ccccc1N1CCC([NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000515803472 300321196 /nfs/dbraw/zinc/32/11/96/300321196.db2.gz IBGUCYFJCRVPHV-JKSUJKDBSA-N 1 3 317.477 2.642 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCCNC2)c1C ZINC000516423628 300342279 /nfs/dbraw/zinc/34/22/79/300342279.db2.gz BBKUIQHZAWQKLN-HOCLYGCPSA-N 1 3 303.450 2.752 20 0 DFADHO C[C@H](Cc1cccs1)NCc1cc(C2CC[NH2+]CC2)no1 ZINC000516921902 300369138 /nfs/dbraw/zinc/36/91/38/300369138.db2.gz VQIBZXIHMWSHCY-GFCCVEGCSA-N 1 3 305.447 2.924 20 0 DFADHO CNC[C@@](C)(O)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000516975185 300374561 /nfs/dbraw/zinc/37/45/61/300374561.db2.gz QEFKBUDVIKXIQB-HXUWFJFHSA-N 1 3 312.457 2.990 20 0 DFADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3O)C2)CC1 ZINC000517032827 300379542 /nfs/dbraw/zinc/37/95/42/300379542.db2.gz CGDGNJGKWMFUMP-GBESFXJTSA-N 1 3 308.510 2.981 20 0 DFADHO CC1CCN(C[C@@H]2CCC[N@H+](C[C@@H]3CCCC[C@H]3O)C2)CC1 ZINC000517032827 300379545 /nfs/dbraw/zinc/37/95/45/300379545.db2.gz CGDGNJGKWMFUMP-GBESFXJTSA-N 1 3 308.510 2.981 20 0 DFADHO CC1CCN(C[C@@H]2CCC[N@@H+](C[C@@H]3CCCC[C@H]3O)C2)CC1 ZINC000517032827 300379548 /nfs/dbraw/zinc/37/95/48/300379548.db2.gz CGDGNJGKWMFUMP-GBESFXJTSA-N 1 3 308.510 2.981 20 0 DFADHO COC[C@H](NCc1ccccc1OCC[NH+](C)C)C1CCCC1 ZINC000525860877 300610877 /nfs/dbraw/zinc/61/08/77/300610877.db2.gz MJNPTMSVKWXGIZ-SFHVURJKSA-N 1 3 320.477 2.922 20 0 DFADHO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cccc(OCCN(C)C)c1 ZINC000530219671 301030997 /nfs/dbraw/zinc/03/09/97/301030997.db2.gz MLNWSKRGZKZQHF-QAPCUYQASA-N 1 3 317.477 2.562 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000530223298 301031551 /nfs/dbraw/zinc/03/15/51/301031551.db2.gz SYRWQBAKNJXXLR-BRWVUGGUSA-N 1 3 303.450 2.533 20 0 DFADHO Fc1ccc2c(c1)[C@H](N1CCC(CO[C@@H]3CC[NH2+]C3)CC1)CC2 ZINC000530239143 301033225 /nfs/dbraw/zinc/03/32/25/301033225.db2.gz DKRVPEDKQWDQTN-IEBWSBKVSA-N 1 3 318.436 2.904 20 0 DFADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2cncn2C)CC1 ZINC000530513257 301052721 /nfs/dbraw/zinc/05/27/21/301052721.db2.gz XNWBXZBJWVWOLJ-YJBOKZPZSA-N 1 3 304.482 2.595 20 0 DFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531701622 301104450 /nfs/dbraw/zinc/10/44/50/301104450.db2.gz AMEZCBIBKPHRQJ-LSDHHAIUSA-N 1 3 315.461 2.954 20 0 DFADHO C[C@@H]1CCN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531728254 301106908 /nfs/dbraw/zinc/10/69/08/301106908.db2.gz KMOOMZDTRPFIOR-WSTZPKSXSA-N 1 3 315.505 2.971 20 0 DFADHO COc1cc(C)ccc1[C@@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000531738271 301107272 /nfs/dbraw/zinc/10/72/72/301107272.db2.gz DRHFSBIPALLUDC-MRXNPFEDSA-N 1 3 319.493 2.680 20 0 DFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532235222 301138638 /nfs/dbraw/zinc/13/86/38/301138638.db2.gz RXNWSMQFCIIGRJ-HEHGZKQESA-N 1 3 301.434 2.705 20 0 DFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532235222 301138639 /nfs/dbraw/zinc/13/86/39/301138639.db2.gz RXNWSMQFCIIGRJ-HEHGZKQESA-N 1 3 301.434 2.705 20 0 DFADHO CN(C)CCOc1ccc(CC[NH2+]C(C2CC2)C2CC2)cc1 ZINC000532484952 301155202 /nfs/dbraw/zinc/15/52/02/301155202.db2.gz NSOSJBUFDSYPQB-UHFFFAOYSA-N 1 3 302.462 2.948 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532530342 301158948 /nfs/dbraw/zinc/15/89/48/301158948.db2.gz ZUWBARDDLOBCBO-UONOGXRCSA-N 1 3 323.868 2.989 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NCC[N@H+]1CC[C@H](C)C1 ZINC000532530342 301158952 /nfs/dbraw/zinc/15/89/52/301158952.db2.gz ZUWBARDDLOBCBO-UONOGXRCSA-N 1 3 323.868 2.989 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000532550476 301159762 /nfs/dbraw/zinc/15/97/62/301159762.db2.gz MQXBVHJROFLQRP-XOKHGSTOSA-N 1 3 309.885 2.873 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000532550476 301159765 /nfs/dbraw/zinc/15/97/65/301159765.db2.gz MQXBVHJROFLQRP-XOKHGSTOSA-N 1 3 309.885 2.873 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000532550476 301159766 /nfs/dbraw/zinc/15/97/66/301159766.db2.gz MQXBVHJROFLQRP-XOKHGSTOSA-N 1 3 309.885 2.873 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000533581889 301209152 /nfs/dbraw/zinc/20/91/52/301209152.db2.gz FLGKDYYXPLBLQO-QGZVFWFLSA-N 1 3 323.431 2.569 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc3c(c2)nnn3C)CC1 ZINC000534346969 301230468 /nfs/dbraw/zinc/23/04/68/301230468.db2.gz HQFHCGRZSKOMGU-UHFFFAOYSA-N 1 3 315.465 2.521 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc3c(c2)nnn3C)CC1 ZINC000534346969 301230471 /nfs/dbraw/zinc/23/04/71/301230471.db2.gz HQFHCGRZSKOMGU-UHFFFAOYSA-N 1 3 315.465 2.521 20 0 DFADHO CC[C@@H]1CCC[C@H]([NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000552065327 301679452 /nfs/dbraw/zinc/67/94/52/301679452.db2.gz QXUACSYDKDWIEE-SJORKVTESA-N 1 3 309.498 2.537 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(-c2ccccn2)c1 ZINC000562959517 302018101 /nfs/dbraw/zinc/01/81/01/302018101.db2.gz WBZVEEUKTKFMHT-UCLAIMLFSA-N 1 3 311.429 2.591 20 0 DFADHO CC(=O)N1CC[C@H](N[C@H]2CCCC[C@H]2C[NH3+])c2ccccc21 ZINC000562960387 302018880 /nfs/dbraw/zinc/01/88/80/302018880.db2.gz OALLJGZKZPLFTK-XIRDDKMYSA-N 1 3 301.434 2.591 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000563052310 302031396 /nfs/dbraw/zinc/03/13/96/302031396.db2.gz IYVXWVGFJVHYGE-SFHVURJKSA-N 1 3 317.477 2.502 20 0 DFADHO c1cc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc2c1OCO2 ZINC000564823543 302161310 /nfs/dbraw/zinc/16/13/10/302161310.db2.gz DLMUJDXMXAXGDD-IXDOHACOSA-N 1 3 316.445 2.858 20 0 DFADHO CC1CC[NH+](Cc2cccc(CNCC3(O)CCC3)c2)CC1 ZINC000564847363 302163796 /nfs/dbraw/zinc/16/37/96/302163796.db2.gz BOFVCPUNKVOIRH-UHFFFAOYSA-N 1 3 302.462 2.923 20 0 DFADHO CC1CCN(Cc2cccc(C[NH2+]CC3(O)CCC3)c2)CC1 ZINC000564847363 302163799 /nfs/dbraw/zinc/16/37/99/302163799.db2.gz BOFVCPUNKVOIRH-UHFFFAOYSA-N 1 3 302.462 2.923 20 0 DFADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000565887588 302246870 /nfs/dbraw/zinc/24/68/70/302246870.db2.gz WQCZLTBAUMROQB-LMMKCTJWSA-N 1 3 304.478 2.719 20 0 DFADHO CC(C)C[N@H+]1CC[C@H](CNC[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000565887588 302246872 /nfs/dbraw/zinc/24/68/72/302246872.db2.gz WQCZLTBAUMROQB-LMMKCTJWSA-N 1 3 304.478 2.719 20 0 DFADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)N(C)C)cc1 ZINC000566011854 302253397 /nfs/dbraw/zinc/25/33/97/302253397.db2.gz IIHPFVDHQWAFDK-MSOLQXFVSA-N 1 3 317.477 2.500 20 0 DFADHO C[C@H](CNC[C@@H](O)[C@@H](C)c1ccccc1)C[NH+]1CCCCC1 ZINC000566107373 302260152 /nfs/dbraw/zinc/26/01/52/302260152.db2.gz JRQWUXYGEFLMPV-ZIFCJYIRSA-N 1 3 304.478 2.863 20 0 DFADHO C[C@H](C[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)CN1CCCCC1 ZINC000566107373 302260154 /nfs/dbraw/zinc/26/01/54/302260154.db2.gz JRQWUXYGEFLMPV-ZIFCJYIRSA-N 1 3 304.478 2.863 20 0 DFADHO CC(C)N1CCCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000566200879 302267414 /nfs/dbraw/zinc/26/74/14/302267414.db2.gz IMOFJFXGLDBUGZ-PBHICJAKSA-N 1 3 303.450 2.585 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CO[C@H](C)C2)CC1 ZINC000566219513 302268203 /nfs/dbraw/zinc/26/82/03/302268203.db2.gz DLKSJLPBRWWERZ-GPMSIDNRSA-N 1 3 302.462 2.849 20 0 DFADHO C[C@H](CC[NH+](C)C)NC[C@@H](O)Cc1ccc2ccccc2c1 ZINC000566615369 302299083 /nfs/dbraw/zinc/29/90/83/302299083.db2.gz IKWDZLUQZNTHPO-BEFAXECRSA-N 1 3 300.446 2.673 20 0 DFADHO C[C@@H](CC[NH+](C)C)NC[C@H](O)Cc1ccc2ccccc2c1 ZINC000566615376 302299087 /nfs/dbraw/zinc/29/90/87/302299087.db2.gz IKWDZLUQZNTHPO-HNAYVOBHSA-N 1 3 300.446 2.673 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)C1 ZINC000566865846 302318658 /nfs/dbraw/zinc/31/86/58/302318658.db2.gz FQPXWHCKGUUGSP-KGLIPLIRSA-N 1 3 307.404 2.510 20 0 DFADHO CCC(CC)(CNC(=O)[C@@H](C)NC)[NH2+][C@H](C)c1ccccc1 ZINC000567248575 302345047 /nfs/dbraw/zinc/34/50/47/302345047.db2.gz HFNBZMZWFGEEJV-HUUCEWRRSA-N 1 3 305.466 2.620 20 0 DFADHO CC(C)c1nc2n(n1)C[C@H](N[C@H](C)C[C@H]1CCCCC[NH2+]1)CC2 ZINC000567260339 302345392 /nfs/dbraw/zinc/34/53/92/302345392.db2.gz LLMVCTBTEBPYON-BZUAXINKSA-N 1 3 319.497 2.617 20 0 DFADHO c1cc2c(cc1CN1CC[C@H](c3nc(C4CC4)no3)C1)C[NH2+]CC2 ZINC000567595413 302371788 /nfs/dbraw/zinc/37/17/88/302371788.db2.gz GRXPZAAGKIZDOD-INIZCTEOSA-N 1 3 324.428 2.582 20 0 DFADHO CCn1nc(C)c(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)c1C ZINC000567647641 302375763 /nfs/dbraw/zinc/37/57/63/302375763.db2.gz CQDXFVHIEJKLCI-FZKQIMNGSA-N 1 3 300.450 2.568 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC000567857898 302393553 /nfs/dbraw/zinc/39/35/53/302393553.db2.gz PLYMDEHWKHAHQP-GYFISPQKSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000567857898 302393554 /nfs/dbraw/zinc/39/35/54/302393554.db2.gz PLYMDEHWKHAHQP-GYFISPQKSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC000567857897 302393598 /nfs/dbraw/zinc/39/35/98/302393598.db2.gz PLYMDEHWKHAHQP-FTWQHDNSSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000567857897 302393599 /nfs/dbraw/zinc/39/35/99/302393599.db2.gz PLYMDEHWKHAHQP-FTWQHDNSSA-N 1 3 300.446 2.949 20 0 DFADHO [NH3+][C@H](CCC(=O)Nc1ccc2c(c1)CNCC2)c1ccccc1 ZINC000568058726 302413952 /nfs/dbraw/zinc/41/39/52/302413952.db2.gz ZUARWLGYAFSGSS-GOSISDBHSA-N 1 3 309.413 2.751 20 0 DFADHO c1ccc2c(CNC3CCN(c4cc[nH+]cc4)CC3)noc2c1 ZINC000569745647 302536031 /nfs/dbraw/zinc/53/60/31/302536031.db2.gz YCIKSMAOPZYSDW-UHFFFAOYSA-N 1 3 308.385 2.981 20 0 DFADHO Clc1cccc([C@H]2CNCCN2CCC2CC[NH2+]CC2)c1 ZINC000261887464 302887769 /nfs/dbraw/zinc/88/77/69/302887769.db2.gz VESKQHJGJOPHEL-QGZVFWFLSA-N 1 3 307.869 2.676 20 0 DFADHO C[C@H]1CN(CCC2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)O1 ZINC000177484375 315983084 /nfs/dbraw/zinc/98/30/84/315983084.db2.gz RMTKSUACZDHMGQ-IRXDYDNUSA-N 1 3 324.509 2.624 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@H](O)CCc1ccccc1 ZINC000182415334 316100990 /nfs/dbraw/zinc/10/09/90/316100990.db2.gz MXAVQSKWJKYEJR-RTBURBONSA-N 1 3 304.478 2.786 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@H](O)CCc1ccccc1 ZINC000182415334 316100994 /nfs/dbraw/zinc/10/09/94/316100994.db2.gz MXAVQSKWJKYEJR-RTBURBONSA-N 1 3 304.478 2.786 20 0 DFADHO CC1CC[NH+](CCCCN[C@H](c2nccn2C)C2CC2)CC1 ZINC000183248531 316135494 /nfs/dbraw/zinc/13/54/94/316135494.db2.gz VKGCKPRUSOLPRA-KRWDZBQOSA-N 1 3 304.482 2.973 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCN[C@@H](c2nccn2C)C2CC2)C1 ZINC000183248396 316135574 /nfs/dbraw/zinc/13/55/74/316135574.db2.gz SNLWFDNAXCSGLF-NVXWUHKLSA-N 1 3 304.482 2.973 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCN[C@@H](c2nccn2C)C2CC2)C1 ZINC000183248396 316135579 /nfs/dbraw/zinc/13/55/79/316135579.db2.gz SNLWFDNAXCSGLF-NVXWUHKLSA-N 1 3 304.482 2.973 20 0 DFADHO CCC[C@@H]1CCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000185862271 316193491 /nfs/dbraw/zinc/19/34/91/316193491.db2.gz JWCSNRZCOQALHM-QGZVFWFLSA-N 1 3 309.498 2.630 20 0 DFADHO Fc1ccc(-c2cnc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)cc1 ZINC000324125044 316260953 /nfs/dbraw/zinc/26/09/53/316260953.db2.gz HJPRRZXSKNQAPU-GASCZTMLSA-N 1 3 315.392 2.912 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(F)c(Br)c1 ZINC000414797221 316661727 /nfs/dbraw/zinc/66/17/27/316661727.db2.gz OVDWKWSETMIEBH-ZWNOBZJWSA-N 1 3 301.203 2.805 20 0 DFADHO CC[NH+]1CCC(Nc2cccc3c2OCC[C@@H]3N(C)C)CC1 ZINC000435037855 316922119 /nfs/dbraw/zinc/92/21/19/316922119.db2.gz YHGJOUZQJOZULO-KRWDZBQOSA-N 1 3 303.450 2.968 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000450432376 317092619 /nfs/dbraw/zinc/09/26/19/317092619.db2.gz ABXLSCUWAZCRCW-GGPKGHCWSA-N 1 3 316.489 2.959 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000450432376 317092622 /nfs/dbraw/zinc/09/26/22/317092622.db2.gz ABXLSCUWAZCRCW-GGPKGHCWSA-N 1 3 316.489 2.959 20 0 DFADHO CN(CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)Cc1ccccc1 ZINC000450499548 317099560 /nfs/dbraw/zinc/09/95/60/317099560.db2.gz IYQPYLPEAQIUTK-RTBURBONSA-N 1 3 301.478 2.535 20 0 DFADHO CN(CCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)Cc1ccccc1 ZINC000450499548 317099562 /nfs/dbraw/zinc/09/95/62/317099562.db2.gz IYQPYLPEAQIUTK-RTBURBONSA-N 1 3 301.478 2.535 20 0 DFADHO C[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000453386856 317182509 /nfs/dbraw/zinc/18/25/09/317182509.db2.gz WBQJWUTVLTZAHL-PBHICJAKSA-N 1 3 306.450 2.703 20 0 DFADHO CC1CC[NH+](C[C@H](O)CN[C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488433110 317392284 /nfs/dbraw/zinc/39/22/84/317392284.db2.gz MXEJCJDZULOEIW-OAGGEKHMSA-N 1 3 314.539 2.589 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488430225 317392337 /nfs/dbraw/zinc/39/23/37/317392337.db2.gz JXEVPBLZTNBIIV-SJORKVTESA-N 1 3 313.555 2.524 20 0 DFADHO CC[C@H](CN1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000506017420 317690749 /nfs/dbraw/zinc/69/07/49/317690749.db2.gz RMIUOZOJJQFJQP-LJQANCHMSA-N 1 3 315.505 2.894 20 0 DFADHO C[C@H](c1cccc(F)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242520 317778391 /nfs/dbraw/zinc/77/83/91/317778391.db2.gz UKVFNZVAEBNKHP-RDTXWAMCSA-N 1 3 306.425 2.977 20 0 DFADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC(CC[NH3+])CC1 ZINC000571452553 317984482 /nfs/dbraw/zinc/98/44/82/317984482.db2.gz JDWIFOTXZFKOFX-GOSISDBHSA-N 1 3 317.477 2.657 20 0 DFADHO CCN1CCN(c2ccccc2N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000571657030 317988976 /nfs/dbraw/zinc/98/89/76/317988976.db2.gz IKTABDCVLRBGQP-HZPDHXFCSA-N 1 3 302.466 2.510 20 0 DFADHO CCOc1cc(CNCc2ccc(C[NH3+])cc2)ccc1OC ZINC000574572233 318025458 /nfs/dbraw/zinc/02/54/58/318025458.db2.gz KLEGBCCYZJRFSN-UHFFFAOYSA-N 1 3 300.402 2.842 20 0 DFADHO C[C@H]1CCC[N@H+](CCNCCC(=O)Nc2cccc(Cl)c2)C1 ZINC000574711345 318035330 /nfs/dbraw/zinc/03/53/30/318035330.db2.gz NHVQVWHIWHKBOD-AWEZNQCLSA-N 1 3 323.868 2.990 20 0 DFADHO C[C@H]1CCC[N@@H+](CCNCCC(=O)Nc2cccc(Cl)c2)C1 ZINC000574711345 318035331 /nfs/dbraw/zinc/03/53/31/318035331.db2.gz NHVQVWHIWHKBOD-AWEZNQCLSA-N 1 3 323.868 2.990 20 0 DFADHO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC000574739835 318037493 /nfs/dbraw/zinc/03/74/93/318037493.db2.gz MZDTUOPISLOHDK-UHFFFAOYSA-N 1 3 324.428 2.673 20 0 DFADHO C[C@@H]([C@H](C)NCc1nnc(C2CC[NH2+]CC2)[nH]1)C1CCCCC1 ZINC000574803638 318041007 /nfs/dbraw/zinc/04/10/07/318041007.db2.gz OTIPQQUIKNUCSO-KBPBESRZSA-N 1 3 319.497 2.966 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@H](N)C2)cc1OC ZINC000575761853 318082199 /nfs/dbraw/zinc/08/21/99/318082199.db2.gz FUMFHMWBJUZGFM-CWRNSKLLSA-N 1 3 306.450 2.742 20 0 DFADHO CC(C)c1ccc(OC2CCN(CCOCC[NH3+])CC2)cc1 ZINC000575869289 318088801 /nfs/dbraw/zinc/08/88/01/318088801.db2.gz GAUHXMVNAPZXHT-UHFFFAOYSA-N 1 3 306.450 2.629 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCNc2cccc(Br)c2)C1 ZINC000576767683 318149347 /nfs/dbraw/zinc/14/93/47/318149347.db2.gz OYSGSIVWGXFZQP-GXTWGEPZSA-N 1 3 312.255 2.721 20 0 DFADHO Cc1cccc(OC[C@@H](O)CN[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000577055186 318168231 /nfs/dbraw/zinc/16/82/31/318168231.db2.gz LMGUBXRIMZXAEN-FUHWJXTLSA-N 1 3 322.493 2.691 20 0 DFADHO CC(C)[NH+](CCCNC(=O)C[C@@H](N)Cc1ccccc1)C(C)C ZINC000577748577 318214708 /nfs/dbraw/zinc/21/47/08/318214708.db2.gz GONJNUXHLNKXPY-SFHVURJKSA-N 1 3 319.493 2.572 20 0 DFADHO C[C@H](N[C@H]1CCN(c2c(F)cccc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000577829016 318219607 /nfs/dbraw/zinc/21/96/07/318219607.db2.gz HKMFYDITCRBCIB-MJBXVCDLSA-N 1 3 309.404 2.521 20 0 DFADHO FC(F)(F)COCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000578637777 318274778 /nfs/dbraw/zinc/27/47/78/318274778.db2.gz FUFSPNLRHCXKSJ-MELADBBJSA-N 1 3 308.388 2.856 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000579495324 318335512 /nfs/dbraw/zinc/33/55/12/318335512.db2.gz WUVDITORCCXUQB-GDBMZVCRSA-N 1 3 313.401 2.891 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCCC23CC3)C1 ZINC000579733020 318351431 /nfs/dbraw/zinc/35/14/31/318351431.db2.gz HELZCHWWDZAYBD-MSOLQXFVSA-N 1 3 300.446 2.676 20 0 DFADHO Cc1ccc(CNC[C@@H]2CCC[N@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000579736996 318351446 /nfs/dbraw/zinc/35/14/46/318351446.db2.gz VZLWPKUABULMCG-INIZCTEOSA-N 1 3 312.461 2.827 20 0 DFADHO Cc1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000579736996 318351449 /nfs/dbraw/zinc/35/14/49/318351449.db2.gz VZLWPKUABULMCG-INIZCTEOSA-N 1 3 312.461 2.827 20 0 DFADHO COc1cccc2c1CCC[C@H]2NCCC[NH+]1CCC(O)CC1 ZINC000194862776 323273753 /nfs/dbraw/zinc/27/37/53/323273753.db2.gz LMJAJUWRLLZPNX-GOSISDBHSA-N 1 3 318.461 2.509 20 0 DFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)C1CCN(C2CC2)CC1 ZINC000195351846 323281706 /nfs/dbraw/zinc/28/17/06/323281706.db2.gz ANKNEWMZJNMBOF-UHFFFAOYSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379645727 323291292 /nfs/dbraw/zinc/29/12/92/323291292.db2.gz DMEIMIRLNQZELW-NEPXVJNWSA-N 1 3 301.478 2.627 20 0 DFADHO CCOC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000381784848 323295521 /nfs/dbraw/zinc/29/55/21/323295521.db2.gz HDJWJYCCVOSJKY-GDAAHCPNSA-N 1 3 302.462 2.912 20 0 DFADHO CCOC[C@H](C)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000381784848 323295524 /nfs/dbraw/zinc/29/55/24/323295524.db2.gz HDJWJYCCVOSJKY-GDAAHCPNSA-N 1 3 302.462 2.912 20 0 DFADHO CCOC[C@H](C)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000381784848 323295526 /nfs/dbraw/zinc/29/55/26/323295526.db2.gz HDJWJYCCVOSJKY-GDAAHCPNSA-N 1 3 302.462 2.912 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1cccc(OCCN(C)C)c1 ZINC000387312443 323323766 /nfs/dbraw/zinc/32/37/66/323323766.db2.gz OJZMSXBRENSXGO-IIDMSEBBSA-N 1 3 305.466 2.768 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1cccc(OCCN(C)C)c1 ZINC000387312443 323323770 /nfs/dbraw/zinc/32/37/70/323323770.db2.gz OJZMSXBRENSXGO-IIDMSEBBSA-N 1 3 305.466 2.768 20 0 DFADHO C[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccoc1 ZINC000397502704 323355634 /nfs/dbraw/zinc/35/56/34/323355634.db2.gz GGMLSGDNFCTWQX-MRXNPFEDSA-N 1 3 314.429 2.957 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C[C@H](C)O1 ZINC000580281090 323362218 /nfs/dbraw/zinc/36/22/18/323362218.db2.gz IGVSYUANFHVQIW-SCAQPMJSSA-N 1 3 306.450 2.673 20 0 DFADHO CCOCC[C@@H](O)CNCc1ccccc1C[NH+]1CCCCC1 ZINC000583198907 323812389 /nfs/dbraw/zinc/81/23/89/323812389.db2.gz OYAQROLMEMJVAO-LJQANCHMSA-N 1 3 320.477 2.550 20 0 DFADHO COc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000583451363 323858598 /nfs/dbraw/zinc/85/85/98/323858598.db2.gz SJGIWUISSJBZPD-GOEBONIOSA-N 1 3 303.450 2.524 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)C1 ZINC000583575433 323882760 /nfs/dbraw/zinc/88/27/60/323882760.db2.gz FKYAVXHJNHFUQX-AGIUHOORSA-N 1 3 311.832 2.917 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCc2nc3ccccc3n2C(F)F)C1 ZINC000584301864 332231392 /nfs/dbraw/zinc/23/13/92/332231392.db2.gz ITXKKPVKBSWZCQ-RYUDHWBXSA-N 1 3 308.376 2.833 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+]CCc2nc3ccccc3n2C(F)F)C1 ZINC000584301864 332231393 /nfs/dbraw/zinc/23/13/93/332231393.db2.gz ITXKKPVKBSWZCQ-RYUDHWBXSA-N 1 3 308.376 2.833 20 0 DFADHO OC[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000297489431 534388363 /nfs/dbraw/zinc/38/83/63/534388363.db2.gz SZGZDQBUGWMTAE-KRWDZBQOSA-N 1 3 317.477 2.829 20 0 DFADHO CC(C)[NH+]1CCC(N2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC000354025313 519670586 /nfs/dbraw/zinc/67/05/86/519670586.db2.gz BOTUYXDPSYEYPR-SFHVURJKSA-N 1 3 305.510 2.833 20 0 DFADHO c1cc(N2CCC([NH2+]CCC[C@@H]3CCCCO3)CC2)ccn1 ZINC000297619770 534469454 /nfs/dbraw/zinc/46/94/54/534469454.db2.gz LGACWRQSOVZTQE-SFHVURJKSA-N 1 3 303.450 2.989 20 0 DFADHO CCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cn1 ZINC000367617430 520372056 /nfs/dbraw/zinc/37/20/56/520372056.db2.gz NECVRNCQLGEGHM-ZACQAIPSSA-N 1 3 303.450 2.833 20 0 DFADHO CCC[C@@H](N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000364983614 520715679 /nfs/dbraw/zinc/71/56/79/520715679.db2.gz RRRLOWGTTIBLFE-QZTJIDSGSA-N 1 3 317.477 2.627 20 0 DFADHO CCC[C@@H](N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000364983614 520715688 /nfs/dbraw/zinc/71/56/88/520715688.db2.gz RRRLOWGTTIBLFE-QZTJIDSGSA-N 1 3 317.477 2.627 20 0 DFADHO CCCC[C@@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000154549172 521060600 /nfs/dbraw/zinc/06/06/00/521060600.db2.gz KTPAUOODHBDRTG-GVDBMIGSSA-N 1 3 309.498 2.617 20 0 DFADHO CCCC[C@@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000154549172 521060607 /nfs/dbraw/zinc/06/06/07/521060607.db2.gz KTPAUOODHBDRTG-GVDBMIGSSA-N 1 3 309.498 2.617 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000366328257 521643832 /nfs/dbraw/zinc/64/38/32/521643832.db2.gz ULTHHEQIRMGRAS-QZTJIDSGSA-N 1 3 323.525 2.831 20 0 DFADHO CCc1cc(N2CCC[N@@H+]([C@@H](C)CO)CC2)c2ccccc2n1 ZINC000364981677 523792794 /nfs/dbraw/zinc/79/27/94/523792794.db2.gz KZBSTKPBDVPZLM-HNNXBMFYSA-N 1 3 313.445 2.690 20 0 DFADHO CCc1cc(N2CCC[N@H+]([C@@H](C)CO)CC2)c2ccccc2n1 ZINC000364981677 523792799 /nfs/dbraw/zinc/79/27/99/523792799.db2.gz KZBSTKPBDVPZLM-HNNXBMFYSA-N 1 3 313.445 2.690 20 0 DFADHO OC1(c2ccccc2)CCC([NH2+]CCCN2CCCC2)CC1 ZINC000365041531 527513322 /nfs/dbraw/zinc/51/33/22/527513322.db2.gz BFODMDYGPIRVSH-UHFFFAOYSA-N 1 3 302.462 2.892 20 0 DFADHO CC[NH+](CC)C[C@H]1CCN(CCN(C)Cc2ccccc2)C1 ZINC000295027972 528184161 /nfs/dbraw/zinc/18/41/61/528184161.db2.gz MSXHYZPCKFXPGT-LJQANCHMSA-N 1 3 303.494 2.782 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(CC)CC[NH2+]C1)c1ccccc1 ZINC000320491459 528242282 /nfs/dbraw/zinc/24/22/82/528242282.db2.gz VUKVVFYTYXZRHJ-HKUYNNGSSA-N 1 3 317.477 2.575 20 0 DFADHO CCC(CC)(CCO)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297322669 528644840 /nfs/dbraw/zinc/64/48/40/528644840.db2.gz CHVMQJNVCSUKDV-UHFFFAOYSA-N 1 3 305.466 2.829 20 0 DFADHO CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361495208 535589361 /nfs/dbraw/zinc/58/93/61/535589361.db2.gz CQJMQSMBDGESGJ-AEFFLSMTSA-N 1 3 321.509 2.584 20 0 DFADHO CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361495208 535589366 /nfs/dbraw/zinc/58/93/66/535589366.db2.gz CQJMQSMBDGESGJ-AEFFLSMTSA-N 1 3 321.509 2.584 20 0 DFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)[C@H]1C ZINC000354579103 536317572 /nfs/dbraw/zinc/31/75/72/536317572.db2.gz UECZTDNAXMKEKI-KCQAQPDRSA-N 1 3 310.482 2.863 20 0 DFADHO COc1cc(C)c(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000262065368 536572901 /nfs/dbraw/zinc/57/29/01/536572901.db2.gz FLHYNFFXVFSACV-IMJJTQAJSA-N 1 3 304.434 2.571 20 0 DFADHO COC1(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)CCCC1 ZINC000361580061 536622931 /nfs/dbraw/zinc/62/29/31/536622931.db2.gz VSKIJOFLUNPMFI-IAGOWNOFSA-N 1 3 324.509 2.767 20 0 DFADHO CC[NH+](CC)CCOCCNCc1nccc2ccccc21 ZINC000680483072 545500998 /nfs/dbraw/zinc/50/09/98/545500998.db2.gz CZUQIZASANUFDA-UHFFFAOYSA-N 1 3 301.434 2.683 20 0 DFADHO Cc1ccc2nccc(N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)c2c1 ZINC000680623610 545520737 /nfs/dbraw/zinc/52/07/37/545520737.db2.gz ZAYHDGGXNWEJOV-KRWDZBQOSA-N 1 3 324.472 2.759 20 0 DFADHO Cc1ccc2nccc(N3CCN([C@H]4CCC[N@H+](C)C4)CC3)c2c1 ZINC000680623610 545520741 /nfs/dbraw/zinc/52/07/41/545520741.db2.gz ZAYHDGGXNWEJOV-KRWDZBQOSA-N 1 3 324.472 2.759 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]CCCC2CCOCC2)cc1 ZINC000680948496 545568486 /nfs/dbraw/zinc/56/84/86/545568486.db2.gz MCIKOSAMIWYDBO-UHFFFAOYSA-N 1 3 320.477 2.923 20 0 DFADHO C[C@@H]1CCSCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000683001217 545957533 /nfs/dbraw/zinc/95/75/33/545957533.db2.gz PZLKXIWTZQSNBX-OAHLLOKOSA-N 1 3 308.491 2.954 20 0 DFADHO C[C@@H]1CCSCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000683001217 545957537 /nfs/dbraw/zinc/95/75/37/545957537.db2.gz PZLKXIWTZQSNBX-OAHLLOKOSA-N 1 3 308.491 2.954 20 0 DFADHO CC[NH+](CC)CCCN1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000683140892 545978571 /nfs/dbraw/zinc/97/85/71/545978571.db2.gz HRJHJAKPWNMWEH-LJQANCHMSA-N 1 3 303.494 2.925 20 0 DFADHO CN(C)CCOc1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000683357834 546018706 /nfs/dbraw/zinc/01/87/06/546018706.db2.gz ABTCMXSMSDOIHP-GOSISDBHSA-N 1 3 319.493 2.543 20 0 DFADHO CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000683848385 546107981 /nfs/dbraw/zinc/10/79/81/546107981.db2.gz OWLVIJZNBBLWQB-SJORKVTESA-N 1 3 321.509 2.584 20 0 DFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683929645 546121779 /nfs/dbraw/zinc/12/17/79/546121779.db2.gz URTDPBGDNJPNIW-RTBURBONSA-N 1 3 313.445 2.635 20 0 DFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683929643 546122001 /nfs/dbraw/zinc/12/20/01/546122001.db2.gz URTDPBGDNJPNIW-OALUTQOASA-N 1 3 313.445 2.635 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)CC(C)(C)c1ccccc1 ZINC000685454658 546352719 /nfs/dbraw/zinc/35/27/19/546352719.db2.gz OJAPQKIVFODWCN-UHFFFAOYSA-N 1 3 317.521 2.922 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)CC(C)(C)c1ccccc1 ZINC000685454658 546352722 /nfs/dbraw/zinc/35/27/22/546352722.db2.gz OJAPQKIVFODWCN-UHFFFAOYSA-N 1 3 317.521 2.922 20 0 DFADHO CCc1ccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)s1 ZINC000685458037 546353317 /nfs/dbraw/zinc/35/33/17/546353317.db2.gz YROKZGRTRBSHRF-INIZCTEOSA-N 1 3 321.534 2.911 20 0 DFADHO CCc1ccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)s1 ZINC000685458037 546353323 /nfs/dbraw/zinc/35/33/23/546353323.db2.gz YROKZGRTRBSHRF-INIZCTEOSA-N 1 3 321.534 2.911 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000821190135 606207039 /nfs/dbraw/zinc/20/70/39/606207039.db2.gz ZBLDVZMGOMDWRI-LBPRGKRZSA-N 1 3 322.482 2.528 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000821190135 606207041 /nfs/dbraw/zinc/20/70/41/606207041.db2.gz ZBLDVZMGOMDWRI-LBPRGKRZSA-N 1 3 322.482 2.528 20 0 DFADHO Brc1cncc(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000278486022 214185785 /nfs/dbraw/zinc/18/57/85/214185785.db2.gz KJYKDKAXJUNYNF-UHFFFAOYSA-N 1 3 324.266 2.808 20 0 DFADHO C[NH+]1CCC(N(CCO)Cc2ccc(C3CCC3)cc2)CC1 ZINC000278514446 214204785 /nfs/dbraw/zinc/20/47/85/214204785.db2.gz NTAHMESZABTWFX-UHFFFAOYSA-N 1 3 302.462 2.843 20 0 DFADHO CC[C@H](C)C[NH+]1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000088506489 185254438 /nfs/dbraw/zinc/25/44/38/185254438.db2.gz FOVYETURPSZJMF-SFHVURJKSA-N 1 3 303.494 2.782 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCc2cn[nH]c2)CC1 ZINC000459355386 299086687 /nfs/dbraw/zinc/08/66/87/299086687.db2.gz BXDBCAQTQBOPRR-INIZCTEOSA-N 1 3 304.482 2.929 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCc2cn[nH]c2)CC1 ZINC000459355386 299086691 /nfs/dbraw/zinc/08/66/91/299086691.db2.gz BXDBCAQTQBOPRR-INIZCTEOSA-N 1 3 304.482 2.929 20 0 DFADHO CCC[NH+]1CCC(N(C)C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000413205262 295686212 /nfs/dbraw/zinc/68/62/12/295686212.db2.gz AUYKHHUJXLMRGT-OAGGEKHMSA-N 1 3 309.498 2.581 20 0 DFADHO CN(C)CCN1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459358600 299087698 /nfs/dbraw/zinc/08/76/98/299087698.db2.gz BKUYVEXECOLESG-UHFFFAOYSA-N 1 3 301.478 2.680 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C(C)(C)C ZINC000090038611 185279199 /nfs/dbraw/zinc/27/91/99/185279199.db2.gz ZZFLDZZPEKXOQD-CQSZACIVSA-N 1 3 305.466 2.502 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038839 185279322 /nfs/dbraw/zinc/27/93/22/185279322.db2.gz WNXWYJGKHKPEDM-QAPCUYQASA-N 1 3 317.477 2.646 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2nc3cc(F)ccc3n2C)[C@H](C)C1 ZINC000090043824 185279520 /nfs/dbraw/zinc/27/95/20/185279520.db2.gz RXXVIEMKHJKTKI-HIFRSBDPSA-N 1 3 318.440 2.575 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2nc3cc(F)ccc3n2C)[C@H](C)C1 ZINC000090043824 185279521 /nfs/dbraw/zinc/27/95/21/185279521.db2.gz RXXVIEMKHJKTKI-HIFRSBDPSA-N 1 3 318.440 2.575 20 0 DFADHO COc1cc(CN2CCC(CC[NH+](C)C)CC2)cc2c1OCO2 ZINC000092380894 185314814 /nfs/dbraw/zinc/31/48/14/185314814.db2.gz ZIFZPTVJLNZXEB-UHFFFAOYSA-N 1 3 320.433 2.588 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(C)(C)C)CC2)[C@H]1SC ZINC000459387064 299093268 /nfs/dbraw/zinc/09/32/68/299093268.db2.gz JBUGVZNRPGKEQZ-RBSFLKMASA-N 1 3 300.512 2.748 20 0 DFADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)[C@H]1SC ZINC000459387064 299093271 /nfs/dbraw/zinc/09/32/71/299093271.db2.gz JBUGVZNRPGKEQZ-RBSFLKMASA-N 1 3 300.512 2.748 20 0 DFADHO Cc1ccoc1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000092587421 185327325 /nfs/dbraw/zinc/32/73/25/185327325.db2.gz XDEBGIIGKAQWGU-HOTGVXAUSA-N 1 3 306.450 2.909 20 0 DFADHO C[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ccc(-n2cncn2)cc1Cl ZINC000584834074 398418532 /nfs/dbraw/zinc/41/85/32/398418532.db2.gz SKDBWRYOEALMCJ-OLZOCXBDSA-N 1 3 319.840 2.571 20 0 DFADHO CN(C)Cc1cccc(C[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000584834568 398419190 /nfs/dbraw/zinc/41/91/90/398419190.db2.gz RHPAVYPMNYEAFH-FQEVSTJZSA-N 1 3 312.457 2.832 20 0 DFADHO CN(CCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000309750644 529889388 /nfs/dbraw/zinc/88/93/88/529889388.db2.gz ZFUOZGFDOBPDCR-ZWKOTPCHSA-N 1 3 317.477 2.532 20 0 DFADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCOCC1 ZINC000089215625 398444321 /nfs/dbraw/zinc/44/43/21/398444321.db2.gz YGNCVCNYKDRVND-HNNXBMFYSA-N 1 3 303.450 2.703 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)N2CCCC2)cc1 ZINC000068064776 398475854 /nfs/dbraw/zinc/47/58/54/398475854.db2.gz CLNJMNGAMMMUSQ-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO C[N@@H+]1CCCC12CCN([C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000459479725 299117077 /nfs/dbraw/zinc/11/70/77/299117077.db2.gz UZNHULWAVDRGSK-LJQANCHMSA-N 1 3 313.489 2.821 20 0 DFADHO C[N@H+]1CCCC12CCN([C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000459479725 299117082 /nfs/dbraw/zinc/11/70/82/299117082.db2.gz UZNHULWAVDRGSK-LJQANCHMSA-N 1 3 313.489 2.821 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)[C@@H]1SC ZINC000459480566 299117523 /nfs/dbraw/zinc/11/75/23/299117523.db2.gz LWMKNYWZNUWGSA-QXSJWSMHSA-N 1 3 300.512 2.750 20 0 DFADHO Oc1cccc2c1C[C@@H]([NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000459514720 299122929 /nfs/dbraw/zinc/12/29/29/299122929.db2.gz UJCSKEVNHLRMAB-INIZCTEOSA-N 1 3 309.413 2.513 20 0 DFADHO CCCC[C@H](COC)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000090524286 398487976 /nfs/dbraw/zinc/48/79/76/398487976.db2.gz DBYWXPDKMYWNPB-SQNIBIBYSA-N 1 3 312.498 2.549 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1cnn(C)c1 ZINC000090708596 398492136 /nfs/dbraw/zinc/49/21/36/398492136.db2.gz RTISBOQCHCKHSX-RYRKJORJSA-N 1 3 312.461 2.981 20 0 DFADHO CC(C)C(=O)NCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090881266 398494956 /nfs/dbraw/zinc/49/49/56/398494956.db2.gz UMDRQTLNJRBAFA-UHFFFAOYSA-N 1 3 309.498 2.535 20 0 DFADHO CC(C)C(=O)NCCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000090881266 398494960 /nfs/dbraw/zinc/49/49/60/398494960.db2.gz UMDRQTLNJRBAFA-UHFFFAOYSA-N 1 3 309.498 2.535 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272690131 210094792 /nfs/dbraw/zinc/09/47/92/210094792.db2.gz VOWCSDBGUZZXBK-AOIWGVFYSA-N 1 3 303.494 2.827 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272674586 210079236 /nfs/dbraw/zinc/07/92/36/210079236.db2.gz QOFXJAMPHBLNSU-WDSOQIARSA-N 1 3 301.478 2.581 20 0 DFADHO CC[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@H]1C[C@@H]1C ZINC000414085403 295765700 /nfs/dbraw/zinc/76/57/00/295765700.db2.gz YLOKTYSHPNYGMS-WBAXXEDZSA-N 1 3 317.477 2.502 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@H]1C[C@H]1C ZINC000414107834 295768320 /nfs/dbraw/zinc/76/83/20/295768320.db2.gz ZGLNBHWCDOKARE-JLSDUUJJSA-N 1 3 317.477 2.502 20 0 DFADHO CC[C@H]([NH2+]Cc1ccncc1OCCN(C)C)[C@@H]1CC1(C)C ZINC000414165581 295773362 /nfs/dbraw/zinc/77/33/62/295773362.db2.gz PXEKOQBPJNOMDG-HOTGVXAUSA-N 1 3 305.466 2.936 20 0 DFADHO C[NH+](C)CCOc1ccccc1CNCc1ccc2[nH]cnc2c1 ZINC000589647052 398568865 /nfs/dbraw/zinc/56/88/65/398568865.db2.gz CJJSTYIXLPTKJK-UHFFFAOYSA-N 1 3 324.428 2.793 20 0 DFADHO C[NH+](C)CCOc1ccccc1CNCc1ccc2nc[nH]c2c1 ZINC000589647052 398568868 /nfs/dbraw/zinc/56/88/68/398568868.db2.gz CJJSTYIXLPTKJK-UHFFFAOYSA-N 1 3 324.428 2.793 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cccc(OCCN(C)C)c1 ZINC000414330851 295788594 /nfs/dbraw/zinc/78/85/94/295788594.db2.gz FGHZHPGCLBKDOG-JZXOWHBKSA-N 1 3 320.477 2.829 20 0 DFADHO CSC1(C[NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000597192463 398586511 /nfs/dbraw/zinc/58/65/11/398586511.db2.gz RJJHWXHCTKKGLV-UHFFFAOYSA-N 1 3 305.491 2.779 20 0 DFADHO Cn1cnc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000459673448 299162177 /nfs/dbraw/zinc/16/21/77/299162177.db2.gz YYHPHFFDQSSRGT-IHWFROFDSA-N 1 3 324.472 2.748 20 0 DFADHO Cn1cnc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000459673448 299162178 /nfs/dbraw/zinc/16/21/78/299162178.db2.gz YYHPHFFDQSSRGT-IHWFROFDSA-N 1 3 324.472 2.748 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)[C@H]1SC ZINC000597257791 398609319 /nfs/dbraw/zinc/60/93/19/398609319.db2.gz WIEGFJVCRHDQRD-MWDXBVQZSA-N 1 3 312.523 2.607 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@H]1SC ZINC000597257791 398609321 /nfs/dbraw/zinc/60/93/21/398609321.db2.gz WIEGFJVCRHDQRD-MWDXBVQZSA-N 1 3 312.523 2.607 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)[C@H]1SC ZINC000597257791 398609325 /nfs/dbraw/zinc/60/93/25/398609325.db2.gz WIEGFJVCRHDQRD-MWDXBVQZSA-N 1 3 312.523 2.607 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000043147060 398614528 /nfs/dbraw/zinc/61/45/28/398614528.db2.gz USQFSBHHFHBETL-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cccc(OCCN(C)C)c1 ZINC000164042317 186146957 /nfs/dbraw/zinc/14/69/57/186146957.db2.gz ZQOLATLOUVHHJE-WMLDXEAASA-N 1 3 308.466 2.685 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000590658601 398647291 /nfs/dbraw/zinc/64/72/91/398647291.db2.gz UOOGCOMDGBYESH-OWLYRPNTSA-N 1 3 322.493 2.961 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000590658601 398647295 /nfs/dbraw/zinc/64/72/95/398647295.db2.gz UOOGCOMDGBYESH-OWLYRPNTSA-N 1 3 322.493 2.961 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000268743013 186374672 /nfs/dbraw/zinc/37/46/72/186374672.db2.gz QUMWLUSDVBIYRO-QGZVFWFLSA-N 1 3 317.477 2.660 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000268753930 186379360 /nfs/dbraw/zinc/37/93/60/186379360.db2.gz WOJCLHJEWSYKHF-ICSRJNTNSA-N 1 3 315.505 2.973 20 0 DFADHO COC(=O)c1ccc(CN(C)CC2CC[NH+](C)CC2)cc1Cl ZINC000590695119 398653574 /nfs/dbraw/zinc/65/35/74/398653574.db2.gz RZSNJIGCOVAZFC-UHFFFAOYSA-N 1 3 324.852 2.900 20 0 DFADHO COc1cc2c(c(CNCC[C@@H]3CCC[N@H+](C)C3)c1)O[C@@H](C)C2 ZINC000459731304 299174666 /nfs/dbraw/zinc/17/46/66/299174666.db2.gz LKFMWKKSRHVBLO-GJZGRUSLSA-N 1 3 318.461 2.840 20 0 DFADHO COc1cc2c(c(CNCC[C@@H]3CCC[N@@H+](C)C3)c1)O[C@@H](C)C2 ZINC000459731304 299174668 /nfs/dbraw/zinc/17/46/68/299174668.db2.gz LKFMWKKSRHVBLO-GJZGRUSLSA-N 1 3 318.461 2.840 20 0 DFADHO COc1cc(CNCC[C@H]2CCC[N@H+](C)C2)cc(OC)c1OC ZINC000459732772 299175565 /nfs/dbraw/zinc/17/55/65/299175565.db2.gz MWMWSOYVBUEJOS-CQSZACIVSA-N 1 3 322.449 2.534 20 0 DFADHO COc1cc(CNCC[C@H]2CCC[N@@H+](C)C2)cc(OC)c1OC ZINC000459732772 299175568 /nfs/dbraw/zinc/17/55/68/299175568.db2.gz MWMWSOYVBUEJOS-CQSZACIVSA-N 1 3 322.449 2.534 20 0 DFADHO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC(C)(C)C1 ZINC000459735312 299176874 /nfs/dbraw/zinc/17/68/74/299176874.db2.gz DWHAIPQBLKNENF-QGZVFWFLSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414823128 295822247 /nfs/dbraw/zinc/82/22/47/295822247.db2.gz AZRVLMNZBMRGKC-MGPQQGTHSA-N 1 3 307.413 2.521 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000414835492 295823929 /nfs/dbraw/zinc/82/39/29/295823929.db2.gz UGHQKZYKNXFWMO-KTFSGNIMSA-N 1 3 315.461 2.893 20 0 DFADHO COc1cc2c(cc1CNCCC1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000378927563 398657889 /nfs/dbraw/zinc/65/78/89/398657889.db2.gz VBPONZMYCVESMV-CQSZACIVSA-N 1 3 318.461 2.840 20 0 DFADHO Fc1cccc(N2CCCC2)c1CNCC[C@H]1CCC[NH2+]C1 ZINC000414843777 295825314 /nfs/dbraw/zinc/82/53/14/295825314.db2.gz CUKYCDPAFOJDKY-OAHLLOKOSA-N 1 3 305.441 2.905 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414858639 295827006 /nfs/dbraw/zinc/82/70/06/295827006.db2.gz SEXRJYKQYJTUPG-ARFHVFGLSA-N 1 3 303.450 2.690 20 0 DFADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000277210149 213370056 /nfs/dbraw/zinc/37/00/56/213370056.db2.gz NDTYAPKKYLEKNK-MRXNPFEDSA-N 1 3 307.413 2.570 20 0 DFADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000277210149 213370057 /nfs/dbraw/zinc/37/00/57/213370057.db2.gz NDTYAPKKYLEKNK-MRXNPFEDSA-N 1 3 307.413 2.570 20 0 DFADHO COc1cccc(CNCCC[C@@H]2CCC[NH2+]2)c1OC(F)F ZINC000414966485 295842182 /nfs/dbraw/zinc/84/21/82/295842182.db2.gz GKDQHMSDQHVWBW-CYBMUJFWSA-N 1 3 314.376 2.918 20 0 DFADHO [NH3+]C[C@H]1CC[C@H](CNCc2cn3cc(Cl)ccc3n2)CC1 ZINC000415020078 295847893 /nfs/dbraw/zinc/84/78/93/295847893.db2.gz GDYFIBCDLHKJSE-JOCQHMNTSA-N 1 3 306.841 2.842 20 0 DFADHO COc1ccc(Br)c(CN[C@@H](C)CCC[NH3+])c1 ZINC000415025073 295848415 /nfs/dbraw/zinc/84/84/15/295848415.db2.gz QDJGKFBGFOPTHM-JTQLQIEISA-N 1 3 301.228 2.675 20 0 DFADHO CC[C@H](CCc1ccc(Br)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415042324 295850547 /nfs/dbraw/zinc/85/05/47/295850547.db2.gz SGUSGERQVZIAPL-WCVJEAGWSA-N 1 3 323.278 2.968 20 0 DFADHO [NH3+]C[C@H]1CC[C@@H](NCc2c(F)ccc(Br)c2F)C1 ZINC000415038884 295850003 /nfs/dbraw/zinc/85/00/03/295850003.db2.gz NUDXPQLTXHBWRE-DTWKUNHWSA-N 1 3 319.193 2.944 20 0 DFADHO CO[C@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C12CCC2 ZINC000459794941 299195031 /nfs/dbraw/zinc/19/50/31/299195031.db2.gz VBTOSAVNYWQTJG-IRXDYDNUSA-N 1 3 301.434 2.598 20 0 DFADHO CCOc1cc(C[NH2+][C@@H]2CCN(CC)C[C@H]2C)ccc1OC ZINC000173362246 198206897 /nfs/dbraw/zinc/20/68/97/198206897.db2.gz BLJJSPORPVFCQY-GDBMZVCRSA-N 1 3 306.450 2.914 20 0 DFADHO CN1CCCN(CCC[NH2+]Cc2cccc3ccccc32)CC1 ZINC000105476846 398693326 /nfs/dbraw/zinc/69/33/26/398693326.db2.gz XXXXRMFMFCIQBV-UHFFFAOYSA-N 1 3 311.473 2.957 20 0 DFADHO COc1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1C ZINC000415115202 295859983 /nfs/dbraw/zinc/85/99/83/295859983.db2.gz WTPYVEKNQVEKFK-IEBWSBKVSA-N 1 3 318.461 2.722 20 0 DFADHO COc1ccc2c(c1)OC[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000415117606 295860268 /nfs/dbraw/zinc/86/02/68/295860268.db2.gz VTDUQVYXABDFMG-BZZMCLGOSA-N 1 3 316.445 2.509 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000174772373 198382408 /nfs/dbraw/zinc/38/24/08/198382408.db2.gz DJOXYJKVXMNMMN-QAPCUYQASA-N 1 3 306.450 2.736 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000174772373 198382409 /nfs/dbraw/zinc/38/24/09/198382409.db2.gz DJOXYJKVXMNMMN-QAPCUYQASA-N 1 3 306.450 2.736 20 0 DFADHO CN(C)[C@H](CC(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000416147146 295924587 /nfs/dbraw/zinc/92/45/87/295924587.db2.gz QZIOHONNLJSVOX-GOSISDBHSA-N 1 3 317.477 2.528 20 0 DFADHO CC(C)c1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000119776345 398777650 /nfs/dbraw/zinc/77/76/50/398777650.db2.gz GROBHAIOFRCWGQ-UHFFFAOYSA-N 1 3 320.481 2.767 20 0 DFADHO CCC[C@H]1[C@@H](C)CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000464729279 299246602 /nfs/dbraw/zinc/24/66/02/299246602.db2.gz DIJMYPDNDKXXPU-WMZOPIPTSA-N 1 3 323.525 2.876 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1 ZINC000272560690 283188345 /nfs/dbraw/zinc/18/83/45/283188345.db2.gz NRAGFUQEPSASNH-JKSUJKDBSA-N 1 3 317.477 2.741 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1 ZINC000272560690 283188349 /nfs/dbraw/zinc/18/83/49/283188349.db2.gz NRAGFUQEPSASNH-JKSUJKDBSA-N 1 3 317.477 2.741 20 0 DFADHO CCC[C@H](C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(C)C ZINC000136206492 283237103 /nfs/dbraw/zinc/23/71/03/283237103.db2.gz RVPPUXIXCQCLBP-YESZJQIVSA-N 1 3 311.514 2.591 20 0 DFADHO CCN1CCN(c2ccccc2N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000179776697 199079379 /nfs/dbraw/zinc/07/93/79/199079379.db2.gz MQAYSUHLVBBMDU-IAGOWNOFSA-N 1 3 316.493 2.723 20 0 DFADHO CCN1CCN(c2ccccc2N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000179776697 199079381 /nfs/dbraw/zinc/07/93/81/199079381.db2.gz MQAYSUHLVBBMDU-IAGOWNOFSA-N 1 3 316.493 2.723 20 0 DFADHO CN(C)C(=O)c1cccc(CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000052442332 398840483 /nfs/dbraw/zinc/84/04/83/398840483.db2.gz GARAGSVOJMYOAJ-UHFFFAOYSA-N 1 3 317.477 2.552 20 0 DFADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000467613377 299273693 /nfs/dbraw/zinc/27/36/93/299273693.db2.gz LTINSLFITNSWFO-IAGOWNOFSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000467613377 299273698 /nfs/dbraw/zinc/27/36/98/299273698.db2.gz LTINSLFITNSWFO-IAGOWNOFSA-N 1 3 323.525 2.734 20 0 DFADHO COc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000237346561 202239787 /nfs/dbraw/zinc/23/97/87/202239787.db2.gz MSSYNKJPAAVQTB-GJZGRUSLSA-N 1 3 324.440 2.813 20 0 DFADHO CC[N@H+](CCCN[C@H](C)[C@H]1C[C@H]1C(=O)OC)C1CCCCC1 ZINC000594944683 398878052 /nfs/dbraw/zinc/87/80/52/398878052.db2.gz BCLCFDXBWCIUOW-DJIMGWMZSA-N 1 3 310.482 2.818 20 0 DFADHO CC[N@@H+](CCCN[C@H](C)[C@H]1C[C@H]1C(=O)OC)C1CCCCC1 ZINC000594944683 398878054 /nfs/dbraw/zinc/87/80/54/398878054.db2.gz BCLCFDXBWCIUOW-DJIMGWMZSA-N 1 3 310.482 2.818 20 0 DFADHO COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C)N(C)C ZINC000153297893 283361243 /nfs/dbraw/zinc/36/12/43/283361243.db2.gz ILFJPMSITMIPFP-AHCXZYCDSA-N 1 3 319.493 2.616 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc(C[S@@](C)=O)cc2)CC1(C)C ZINC000598974057 398900328 /nfs/dbraw/zinc/90/03/28/398900328.db2.gz LGIYASWIYGTXPF-HRAATJIYSA-N 1 3 308.491 2.528 20 0 DFADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cncc(F)c1 ZINC000178039383 299290884 /nfs/dbraw/zinc/29/08/84/299290884.db2.gz UOVULTHNAVFXGU-KKUMJFAQSA-N 1 3 309.429 2.761 20 0 DFADHO CN1CCC(O)(C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000077450584 398904392 /nfs/dbraw/zinc/90/43/92/398904392.db2.gz NINFTSRSZLEUEW-UHFFFAOYSA-N 1 3 303.233 2.540 20 0 DFADHO CN1CCC(O)(C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000077450466 398904731 /nfs/dbraw/zinc/90/47/31/398904731.db2.gz DYOBNYGYZHYWCP-UHFFFAOYSA-N 1 3 303.233 2.540 20 0 DFADHO [NH3+]Cc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000144368690 398905582 /nfs/dbraw/zinc/90/55/82/398905582.db2.gz FOWWMYCZUVXHGL-UHFFFAOYSA-N 1 3 323.440 2.996 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C[C@@H]1C ZINC000599071635 398917298 /nfs/dbraw/zinc/91/72/98/398917298.db2.gz RQJDPVFZPKGJFM-VVLHAWIVSA-N 1 3 310.482 2.676 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(CN(C)C)c1)C1CC[NH2+]CC1 ZINC000237606609 202300471 /nfs/dbraw/zinc/30/04/71/202300471.db2.gz RRWOGHXQHIDUCU-AWEZNQCLSA-N 1 3 303.450 2.713 20 0 DFADHO C[C@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000237638092 202313730 /nfs/dbraw/zinc/31/37/30/202313730.db2.gz SYCSQSIQBXWUIU-USXIJHARSA-N 1 3 317.477 2.529 20 0 DFADHO C[C@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000237638092 202313733 /nfs/dbraw/zinc/31/37/33/202313733.db2.gz SYCSQSIQBXWUIU-USXIJHARSA-N 1 3 317.477 2.529 20 0 DFADHO C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)[C@H](N)c1ccccc1 ZINC000237705993 202334004 /nfs/dbraw/zinc/33/40/04/202334004.db2.gz ZKEMTOPJHTYLHY-AEFFLSMTSA-N 1 3 317.477 2.705 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000237682493 202327667 /nfs/dbraw/zinc/32/76/67/202327667.db2.gz ZAINGNUPLNSQCR-SJORKVTESA-N 1 3 321.509 2.761 20 0 DFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000237682493 202327671 /nfs/dbraw/zinc/32/76/71/202327671.db2.gz ZAINGNUPLNSQCR-SJORKVTESA-N 1 3 321.509 2.761 20 0 DFADHO C[C@H](NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417317962 296009635 /nfs/dbraw/zinc/00/96/35/296009635.db2.gz XTASAHFVZWUFPP-VVLHAWIVSA-N 1 3 322.518 2.923 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)NC2(CN(C)C)CCC2)cc1 ZINC000281177311 216132609 /nfs/dbraw/zinc/13/26/09/216132609.db2.gz YLQJJDUHTYBGBE-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000417392170 296016363 /nfs/dbraw/zinc/01/63/63/296016363.db2.gz AZADCZJJKDAKDO-WKWVNEEDSA-N 1 3 314.473 2.790 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417392170 296016365 /nfs/dbraw/zinc/01/63/65/296016365.db2.gz AZADCZJJKDAKDO-WKWVNEEDSA-N 1 3 314.473 2.790 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417392170 296016366 /nfs/dbraw/zinc/01/63/66/296016366.db2.gz AZADCZJJKDAKDO-WKWVNEEDSA-N 1 3 314.473 2.790 20 0 DFADHO C[C@@H]([NH2+]CCCCCCO)c1cccc(OCCN(C)C)c1 ZINC000271893653 209302597 /nfs/dbraw/zinc/30/25/97/209302597.db2.gz SRIDFRPIOAGAJO-MRXNPFEDSA-N 1 3 308.466 2.830 20 0 DFADHO CCOC(=O)CC[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000162019181 398980059 /nfs/dbraw/zinc/98/00/59/398980059.db2.gz CFMYSNUCKJUODG-KRWDZBQOSA-N 1 3 310.482 2.918 20 0 DFADHO COC(=O)C(C)(C)CCNCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000474620038 299337850 /nfs/dbraw/zinc/33/78/50/299337850.db2.gz ZIZWRANIEZIFFN-HUUCEWRRSA-N 1 3 312.498 2.922 20 0 DFADHO CN[C@@H](CC(C)(C)C)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000417850855 296058023 /nfs/dbraw/zinc/05/80/23/296058023.db2.gz XWDDOHMVPHNHGD-LBPRGKRZSA-N 1 3 324.494 2.573 20 0 DFADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599587178 399022660 /nfs/dbraw/zinc/02/26/60/399022660.db2.gz DMLGAPWUPMMBKG-PMPSAXMXSA-N 1 3 310.482 2.770 20 0 DFADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599587178 399022666 /nfs/dbraw/zinc/02/26/66/399022666.db2.gz DMLGAPWUPMMBKG-PMPSAXMXSA-N 1 3 310.482 2.770 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3COC(C)(C)C3)cc2)CC1 ZINC000418041665 296073951 /nfs/dbraw/zinc/07/39/51/296073951.db2.gz KXMLMSFEAOSEJA-INIZCTEOSA-N 1 3 318.461 2.817 20 0 DFADHO CC(C)[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccccc1 ZINC000091283695 193029425 /nfs/dbraw/zinc/02/94/25/193029425.db2.gz YHHNGSORLUBCMK-LJQANCHMSA-N 1 3 303.494 2.999 20 0 DFADHO OC[C@@H](CC1CCCCC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000418125924 296079522 /nfs/dbraw/zinc/07/95/22/296079522.db2.gz KHJDCLRYUXQZSC-GOSISDBHSA-N 1 3 317.477 2.971 20 0 DFADHO CC[C@H](C)N[C@H](CNC(=O)NC(C)(C)CCC[NH3+])c1ccco1 ZINC000418160644 296080861 /nfs/dbraw/zinc/08/08/61/296080861.db2.gz DKVFYMGJPGUOIR-UONOGXRCSA-N 1 3 324.469 2.526 20 0 DFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@H](C)CCCC[NH3+])cc1 ZINC000418352568 296087641 /nfs/dbraw/zinc/08/76/41/296087641.db2.gz MTCBLMBCRUICBX-PBHICJAKSA-N 1 3 320.481 2.627 20 0 DFADHO C[N@H+]1CC=C(CNCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000271795731 209223800 /nfs/dbraw/zinc/22/38/00/209223800.db2.gz HYEZTPKARXXANI-UHFFFAOYSA-N 1 3 322.836 2.853 20 0 DFADHO C[N@@H+]1CC=C(CNCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000271795731 209223803 /nfs/dbraw/zinc/22/38/03/209223803.db2.gz HYEZTPKARXXANI-UHFFFAOYSA-N 1 3 322.836 2.853 20 0 DFADHO Cc1ccccc1NC(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293106923 223399366 /nfs/dbraw/zinc/39/93/66/223399366.db2.gz YDOHYEVQKYGSHM-IBGZPJMESA-N 1 3 315.461 2.741 20 0 DFADHO Cc1ccccc1NC(=O)CCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293106923 223399369 /nfs/dbraw/zinc/39/93/69/223399369.db2.gz YDOHYEVQKYGSHM-IBGZPJMESA-N 1 3 315.461 2.741 20 0 DFADHO N[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000621780942 399076326 /nfs/dbraw/zinc/07/63/26/399076326.db2.gz XNYHHATWOYSJJK-JXFKEZNVSA-N 1 3 323.440 2.982 20 0 DFADHO N[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000621780942 399076334 /nfs/dbraw/zinc/07/63/34/399076334.db2.gz XNYHHATWOYSJJK-JXFKEZNVSA-N 1 3 323.440 2.982 20 0 DFADHO CC[C@@H](C)CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000481074567 299391563 /nfs/dbraw/zinc/39/15/63/299391563.db2.gz NDCRHOWCIKPNQZ-QGZVFWFLSA-N 1 3 319.493 2.795 20 0 DFADHO C[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H](N)c1ccccc1 ZINC000261648430 203086702 /nfs/dbraw/zinc/08/67/02/203086702.db2.gz FBTFPIIGFFUSEY-DOTOQJQBSA-N 1 3 317.477 2.703 20 0 DFADHO [NH3+]CC1(CC(=O)Nc2ccc3c(c2F)CCNC3)CCCCC1 ZINC000261812109 203122775 /nfs/dbraw/zinc/12/27/75/203122775.db2.gz WXYJRYHDAAHFRF-UHFFFAOYSA-N 1 3 319.424 2.709 20 0 DFADHO CN(Cc1cnn(-c2ccc(F)cc2)c1)CC1CC[NH+](C)CC1 ZINC000093089350 193202358 /nfs/dbraw/zinc/20/23/58/193202358.db2.gz DSRUYQYKNBTFPH-UHFFFAOYSA-N 1 3 316.424 2.785 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000262006811 203172667 /nfs/dbraw/zinc/17/26/67/203172667.db2.gz VUNLUWPYMYLYLW-KSZLIROESA-N 1 3 317.477 2.703 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)CCCCCC[NH3+])cc1 ZINC000262553236 203328256 /nfs/dbraw/zinc/32/82/56/203328256.db2.gz UCUAOSUVVHFBNF-QGZVFWFLSA-N 1 3 305.466 2.835 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000600711396 399120893 /nfs/dbraw/zinc/12/08/93/399120893.db2.gz SVVSDTTYWQTBHJ-ARFHVFGLSA-N 1 3 308.466 2.763 20 0 DFADHO CCC(CC)(CNC(=O)C(C)(C)N)[NH2+][C@@H](C)c1ccccc1 ZINC000262673566 203376541 /nfs/dbraw/zinc/37/65/41/203376541.db2.gz QAJBCSNUIXDLIR-AWEZNQCLSA-N 1 3 305.466 2.750 20 0 DFADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@]1(C)CCCO1 ZINC000340270358 284165503 /nfs/dbraw/zinc/16/55/03/284165503.db2.gz AWDIVFOAYBDWDC-MAUKXSAKSA-N 1 3 303.450 2.845 20 0 DFADHO C[C@H](C(=O)NCCC[NH2+]C1CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000419909511 296151233 /nfs/dbraw/zinc/15/12/33/296151233.db2.gz MHMBIRKPTHAOIQ-BZUAXINKSA-N 1 3 309.498 2.676 20 0 DFADHO CCOc1cc2nccc(N(C)[C@@H](C)C[NH3+])c2cc1OCC ZINC000420191539 296161532 /nfs/dbraw/zinc/16/15/32/296161532.db2.gz RRSVYXQOLDKAIN-LBPRGKRZSA-N 1 3 303.406 2.816 20 0 DFADHO Cc1cc(NC[C@@H]([NH3+])C2CC2)c2cc(OC(F)F)ccc2n1 ZINC000420219190 296163176 /nfs/dbraw/zinc/16/31/76/296163176.db2.gz PHAQLOQFBQRYGA-CYBMUJFWSA-N 1 3 307.344 2.716 20 0 DFADHO CC(C)Oc1ccc2nccc(N[C@H](CC[NH3+])C(F)F)c2c1 ZINC000420255805 296166259 /nfs/dbraw/zinc/16/62/59/296166259.db2.gz BVURLOHEEKGFCP-OAHLLOKOSA-N 1 3 309.360 2.838 20 0 DFADHO CCOc1cc2nccc(N[C@H](C)[C@H](C)[NH3+])c2cc1OCC ZINC000420274138 296168163 /nfs/dbraw/zinc/16/81/63/296168163.db2.gz YERSRILXEJKMTM-NWDGAFQWSA-N 1 3 303.406 2.602 20 0 DFADHO COc1ccc(CN(C)C[C@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420296955 296170746 /nfs/dbraw/zinc/17/07/46/296170746.db2.gz CTRGZQLPTNHASR-KRWDZBQOSA-N 1 3 314.429 2.878 20 0 DFADHO COc1ccc(C[N@H+](C)C[C@H](CN)c2ccc(OC)cc2)cc1 ZINC000420296955 296170747 /nfs/dbraw/zinc/17/07/47/296170747.db2.gz CTRGZQLPTNHASR-KRWDZBQOSA-N 1 3 314.429 2.878 20 0 DFADHO COc1ccc(C[N@@H+](C)C[C@H](CN)c2ccc(OC)cc2)cc1 ZINC000420296955 296170748 /nfs/dbraw/zinc/17/07/48/296170748.db2.gz CTRGZQLPTNHASR-KRWDZBQOSA-N 1 3 314.429 2.878 20 0 DFADHO Clc1ccc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420298785 296171454 /nfs/dbraw/zinc/17/14/54/296171454.db2.gz HSGJZSFZMMDMTH-INIZCTEOSA-N 1 3 321.896 2.847 20 0 DFADHO CC(C)[C@@](C)(C[NH3+])NCCOc1cccc(Br)c1 ZINC000420298667 296171477 /nfs/dbraw/zinc/17/14/77/296171477.db2.gz FNVQBGDEUYODCR-CQSZACIVSA-N 1 3 315.255 2.791 20 0 DFADHO Fc1cccc(CN(CC[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420303924 296172079 /nfs/dbraw/zinc/17/20/79/296172079.db2.gz NYKQSEBBAYMMMA-MAUKXSAKSA-N 1 3 306.425 2.806 20 0 DFADHO C[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420304953 296172265 /nfs/dbraw/zinc/17/22/65/296172265.db2.gz PADWFBDTUXHBEX-XPGWFJOJSA-N 1 3 310.441 2.537 20 0 DFADHO C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420304953 296172266 /nfs/dbraw/zinc/17/22/66/296172266.db2.gz PADWFBDTUXHBEX-XPGWFJOJSA-N 1 3 310.441 2.537 20 0 DFADHO COc1ccc([C@H](C[NH3+])CN(C)CCc2cccs2)cc1 ZINC000420311472 296173269 /nfs/dbraw/zinc/17/32/69/296173269.db2.gz VZLJFSRPNXRYTR-OAHLLOKOSA-N 1 3 304.459 2.974 20 0 DFADHO COc1ccc([C@@H](C[NH3+])CN2CCC(OCC(C)C)CC2)cc1 ZINC000420315276 296173715 /nfs/dbraw/zinc/17/37/15/296173715.db2.gz LLPQDRCWBJMLTQ-KRWDZBQOSA-N 1 3 320.477 2.875 20 0 DFADHO COc1ccc([C@@H](CN)C[NH+]2CCC(OCC(C)C)CC2)cc1 ZINC000420315276 296173716 /nfs/dbraw/zinc/17/37/16/296173716.db2.gz LLPQDRCWBJMLTQ-KRWDZBQOSA-N 1 3 320.477 2.875 20 0 DFADHO Fc1ccc(CN(CCN2CC[NH2+]CC2)C2CCCC2)c(F)c1 ZINC000420323440 296175333 /nfs/dbraw/zinc/17/53/33/296175333.db2.gz UHNSICIRDCCXDH-UHFFFAOYSA-N 1 3 323.431 2.615 20 0 DFADHO CC[C@H](c1ccc(F)cc1)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323655 296175458 /nfs/dbraw/zinc/17/54/58/296175458.db2.gz GPLJAPFUVCABAR-NVXWUHKLSA-N 1 3 306.425 2.964 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000420326896 296175621 /nfs/dbraw/zinc/17/56/21/296175621.db2.gz FJEOLGVEDRZQSF-KURKYZTESA-N 1 3 304.409 2.641 20 0 DFADHO CCc1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000420321398 296174926 /nfs/dbraw/zinc/17/49/26/296174926.db2.gz ZZYSQGJVXIISEQ-CABCVRRESA-N 1 3 303.450 2.637 20 0 DFADHO Cc1ccc(NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420331379 296176531 /nfs/dbraw/zinc/17/65/31/296176531.db2.gz BVGWJYMRUIMBEB-IRXDYDNUSA-N 1 3 315.461 2.563 20 0 DFADHO CC(C)CCC[C@H](C)NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335903 296177164 /nfs/dbraw/zinc/17/71/64/296177164.db2.gz IANLZZKOLVBYLM-RCCFBDPRSA-N 1 3 323.525 2.639 20 0 DFADHO Fc1cccc(-c2cnc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)c1 ZINC000420341844 296177769 /nfs/dbraw/zinc/17/77/69/296177769.db2.gz QKFRDUPGYLEKKE-GASCZTMLSA-N 1 3 315.392 2.912 20 0 DFADHO CCc1cccc(NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420346580 296178364 /nfs/dbraw/zinc/17/83/64/296178364.db2.gz YTYMQXKAOPOWBS-IRXDYDNUSA-N 1 3 315.461 2.509 20 0 DFADHO CCc1cccc(NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420346577 296178395 /nfs/dbraw/zinc/17/83/95/296178395.db2.gz YTYMQXKAOPOWBS-DLBZAZTESA-N 1 3 315.461 2.509 20 0 DFADHO Cc1cccc(NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420346943 296178417 /nfs/dbraw/zinc/17/84/17/296178417.db2.gz ZMVASFRSLAUKMK-DLBZAZTESA-N 1 3 315.461 2.563 20 0 DFADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420346848 296178500 /nfs/dbraw/zinc/17/85/00/296178500.db2.gz ZGSXLQRZVGXPSR-NXHRZFHOSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)CCC2 ZINC000282490852 217036115 /nfs/dbraw/zinc/03/61/15/217036115.db2.gz XMCUYINEXYWCBW-INIZCTEOSA-N 1 3 315.505 2.852 20 0 DFADHO Clc1ccccc1CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420354213 296178713 /nfs/dbraw/zinc/17/87/13/296178713.db2.gz CMWPJGRHTPENNC-MRXNPFEDSA-N 1 3 321.896 2.847 20 0 DFADHO CC(C)Oc1cccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282519297 217057243 /nfs/dbraw/zinc/05/72/43/217057243.db2.gz YCTYBVXPFYKGCZ-UHFFFAOYSA-N 1 3 319.493 2.589 20 0 DFADHO COCc1cccc(OCC2(C[N@@H+]3CC[C@H](N)[C@@H]3C)CCC2)c1 ZINC000420357031 296179310 /nfs/dbraw/zinc/17/93/10/296179310.db2.gz RPQDNZYALYIZAZ-YJBOKZPZSA-N 1 3 318.461 2.804 20 0 DFADHO COCc1cccc(OCC2(C[N@H+]3CC[C@H](N)[C@@H]3C)CCC2)c1 ZINC000420357031 296179312 /nfs/dbraw/zinc/17/93/12/296179312.db2.gz RPQDNZYALYIZAZ-YJBOKZPZSA-N 1 3 318.461 2.804 20 0 DFADHO C[C@H](c1cccc(F)c1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420357048 296179614 /nfs/dbraw/zinc/17/96/14/296179614.db2.gz HKWDNCZYALILJN-HZPDHXFCSA-N 1 3 305.441 2.504 20 0 DFADHO CCCOc1ccc(OCC[NH2+][C@@H]2CCNCC2(C)C)cc1 ZINC000420361642 296180099 /nfs/dbraw/zinc/18/00/99/296180099.db2.gz MHEHRHFPAIAGFF-QGZVFWFLSA-N 1 3 306.450 2.832 20 0 DFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]2c2ccncc2)cc1 ZINC000420363962 296180473 /nfs/dbraw/zinc/18/04/73/296180473.db2.gz QERZFBVMOPXTBX-HKUYNNGSSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000420363962 296180474 /nfs/dbraw/zinc/18/04/74/296180474.db2.gz QERZFBVMOPXTBX-HKUYNNGSSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000420363962 296180475 /nfs/dbraw/zinc/18/04/75/296180475.db2.gz QERZFBVMOPXTBX-HKUYNNGSSA-N 1 3 311.429 2.970 20 0 DFADHO Cc1ccc(CNCCC[NH+]2CCCC2)c(-c2cnn(C)c2)c1 ZINC000282580069 217102393 /nfs/dbraw/zinc/10/23/93/217102393.db2.gz FYHOPRPLVCDBJC-UHFFFAOYSA-N 1 3 312.461 2.971 20 0 DFADHO Cc1ccc(C[NH2+]CCCN2CCCC2)c(-c2cnn(C)c2)c1 ZINC000282580069 217102396 /nfs/dbraw/zinc/10/23/96/217102396.db2.gz FYHOPRPLVCDBJC-UHFFFAOYSA-N 1 3 312.461 2.971 20 0 DFADHO Cn1c(CCN[C@H](C[NH3+])C2CCCCC2)nc2ccccc21 ZINC000420371335 296181988 /nfs/dbraw/zinc/18/19/88/296181988.db2.gz PIBSOUSIXZXEKJ-MRXNPFEDSA-N 1 3 300.450 2.613 20 0 DFADHO C[C@H](c1cccc(F)c1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420369043 296181488 /nfs/dbraw/zinc/18/14/88/296181488.db2.gz XJQYNAFYKFXMTB-SJORKVTESA-N 1 3 319.468 2.894 20 0 DFADHO [NH3+]C[C@H](NCCC(=O)Nc1cccc(F)c1)C1CCCCC1 ZINC000420374725 296182429 /nfs/dbraw/zinc/18/24/29/296182429.db2.gz SGQUJEINBSHNMR-INIZCTEOSA-N 1 3 307.413 2.652 20 0 DFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOC2CCCCCC2)CC1 ZINC000420384010 296184062 /nfs/dbraw/zinc/18/40/62/296184062.db2.gz RBUOVWXFIQFHOB-RTBURBONSA-N 1 3 324.509 2.944 20 0 DFADHO COCc1cccc(OCC2(C[N@@H+]3C[C@@H](C)[C@@H](N)C3)CCC2)c1 ZINC000420389999 296185008 /nfs/dbraw/zinc/18/50/08/296185008.db2.gz XTVCWPXFTJPOMV-QAPCUYQASA-N 1 3 318.461 2.661 20 0 DFADHO COCc1cccc(OCC2(C[N@H+]3C[C@@H](C)[C@@H](N)C3)CCC2)c1 ZINC000420389999 296185010 /nfs/dbraw/zinc/18/50/10/296185010.db2.gz XTVCWPXFTJPOMV-QAPCUYQASA-N 1 3 318.461 2.661 20 0 DFADHO CC[C@H](NCCOCC[NH3+])c1cc(F)cc(Br)c1 ZINC000420423200 296188103 /nfs/dbraw/zinc/18/81/03/296188103.db2.gz ZYUGORZLQLMNPN-ZDUSSCGKSA-N 1 3 319.218 2.604 20 0 DFADHO Cn1cc(-c2ccc(C[N@@H+](C)C[C@H]3CCN(C)C3)s2)cn1 ZINC000282756646 217228627 /nfs/dbraw/zinc/22/86/27/217228627.db2.gz HREPIGPKUZNOJQ-ZDUSSCGKSA-N 1 3 304.463 2.532 20 0 DFADHO Cn1cc(-c2ccc(C[N@H+](C)C[C@H]3CCN(C)C3)s2)cn1 ZINC000282756646 217228629 /nfs/dbraw/zinc/22/86/29/217228629.db2.gz HREPIGPKUZNOJQ-ZDUSSCGKSA-N 1 3 304.463 2.532 20 0 DFADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCCCC1 ZINC000618662001 399200378 /nfs/dbraw/zinc/20/03/78/399200378.db2.gz VCTSBDJPNUAJFK-IRXDYDNUSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCCCCC1 ZINC000618662001 399200379 /nfs/dbraw/zinc/20/03/79/399200379.db2.gz VCTSBDJPNUAJFK-IRXDYDNUSA-N 1 3 321.509 2.774 20 0 DFADHO CC[C@H]1CN(C)CCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000614342013 399214508 /nfs/dbraw/zinc/21/45/08/399214508.db2.gz MAJRJCKNAUTOPY-ZWKOTPCHSA-N 1 3 317.477 2.622 20 0 DFADHO O=C(NCC[NH+]1CCCC1)c1ccc(Nc2ccncc2)cc1 ZINC000081234414 399217496 /nfs/dbraw/zinc/21/74/96/399217496.db2.gz MHOCGLMPFGWGPK-UHFFFAOYSA-N 1 3 310.401 2.651 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000342792292 284414577 /nfs/dbraw/zinc/41/45/77/284414577.db2.gz VWZBNYSUVYKQCH-UHFFFAOYSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@@H]1CC1(C)C ZINC000487290626 299455760 /nfs/dbraw/zinc/45/57/60/299455760.db2.gz CNEPYADFFNWKCA-IRXDYDNUSA-N 1 3 307.526 2.961 20 0 DFADHO CCOC(=O)C1(C)CC(NCc2cccc(C[NH+](C)C)c2)C1 ZINC000601262891 399266123 /nfs/dbraw/zinc/26/61/23/399266123.db2.gz ABFAIOADHPHIMZ-UHFFFAOYSA-N 1 3 304.434 2.570 20 0 DFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc(CN(C)C)c1 ZINC000618989643 399273056 /nfs/dbraw/zinc/27/30/56/399273056.db2.gz UQIZAUSGCDHEJG-INIZCTEOSA-N 1 3 317.477 2.598 20 0 DFADHO CON1CCC(NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000421402381 296252854 /nfs/dbraw/zinc/25/28/54/296252854.db2.gz VSKPWIDEEOPPMG-CRAIPNDOSA-N 1 3 309.498 2.645 20 0 DFADHO CON1CCC([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000421402381 296252855 /nfs/dbraw/zinc/25/28/55/296252855.db2.gz VSKPWIDEEOPPMG-CRAIPNDOSA-N 1 3 309.498 2.645 20 0 DFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000623067069 399322385 /nfs/dbraw/zinc/32/23/85/399322385.db2.gz YIGYOQKIHVYHMQ-INIZCTEOSA-N 1 3 306.454 2.585 20 0 DFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000105441873 194105178 /nfs/dbraw/zinc/10/51/78/194105178.db2.gz CUQJNJBNMUQMGF-SOLBZPMBSA-N 1 3 319.493 2.766 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCNCC(C)(C)C2)C[C@H]1C ZINC000601974820 399372086 /nfs/dbraw/zinc/37/20/86/399372086.db2.gz VVBQIMMIFRZMOB-QKPAOTATSA-N 1 3 310.482 2.722 20 0 DFADHO OCC[NH+]1CCC(CNCc2ccc(-c3ccccc3)o2)CC1 ZINC000105905622 194167034 /nfs/dbraw/zinc/16/70/34/194167034.db2.gz GKYFWHUSMJLUMM-UHFFFAOYSA-N 1 3 314.429 2.741 20 0 DFADHO OCCN1CCC(C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000105905622 194167036 /nfs/dbraw/zinc/16/70/36/194167036.db2.gz GKYFWHUSMJLUMM-UHFFFAOYSA-N 1 3 314.429 2.741 20 0 DFADHO COCCOc1cccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000623361855 399372613 /nfs/dbraw/zinc/37/26/13/399372613.db2.gz TVZOYHGUKVVGNR-INIZCTEOSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623380514 399376525 /nfs/dbraw/zinc/37/65/25/399376525.db2.gz BSQSXXFCBSCQEH-NVXWUHKLSA-N 1 3 301.478 2.900 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623380514 399376528 /nfs/dbraw/zinc/37/65/28/399376528.db2.gz BSQSXXFCBSCQEH-NVXWUHKLSA-N 1 3 301.478 2.900 20 0 DFADHO C[N@@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)CC1(C)C ZINC000623393040 399379315 /nfs/dbraw/zinc/37/93/15/399379315.db2.gz WSCXLFPSTLTIAG-KRWDZBQOSA-N 1 3 312.461 2.877 20 0 DFADHO C[N@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)CC1(C)C ZINC000623393040 399379317 /nfs/dbraw/zinc/37/93/17/399379317.db2.gz WSCXLFPSTLTIAG-KRWDZBQOSA-N 1 3 312.461 2.877 20 0 DFADHO CCOC(=O)C1CCC([NH2+]CC[C@@H](N)Cc2ccccc2)CC1 ZINC000602020069 399386068 /nfs/dbraw/zinc/38/60/68/399386068.db2.gz IXBRUAAYKWHEBB-LXPRWKDFSA-N 1 3 318.461 2.658 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@@H](CO)Cc2c[nH]c3ccccc23)CC1(C)C ZINC000623421718 399386224 /nfs/dbraw/zinc/38/62/24/399386224.db2.gz XLCIKELKUYKJRR-JKSUJKDBSA-N 1 3 315.461 2.534 20 0 DFADHO C[N@H+]1CC[C@H](N[C@@H](CO)Cc2c[nH]c3ccccc23)CC1(C)C ZINC000623421718 399386226 /nfs/dbraw/zinc/38/62/26/399386226.db2.gz XLCIKELKUYKJRR-JKSUJKDBSA-N 1 3 315.461 2.534 20 0 DFADHO Cn1c(CCN[C@H]2CC[N@H+](C)C(C)(C)C2)nc2cc(F)ccc21 ZINC000623425934 399386789 /nfs/dbraw/zinc/38/67/89/399386789.db2.gz VIVIYEAZLZJEHI-AWEZNQCLSA-N 1 3 318.440 2.717 20 0 DFADHO Cn1c(CCN[C@H]2CC[N@@H+](C)C(C)(C)C2)nc2cc(F)ccc21 ZINC000623425934 399386792 /nfs/dbraw/zinc/38/67/92/399386792.db2.gz VIVIYEAZLZJEHI-AWEZNQCLSA-N 1 3 318.440 2.717 20 0 DFADHO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623430920 399388343 /nfs/dbraw/zinc/38/83/43/399388343.db2.gz LOBDWBYURDKNGR-BBRMVZONSA-N 1 3 304.434 2.981 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)N(C)C1CC1 ZINC000268835006 207000104 /nfs/dbraw/zinc/00/01/04/207000104.db2.gz AWJVHINBUGDYNN-MBOZVWFJSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)N(C)C1CC1 ZINC000268835005 207001067 /nfs/dbraw/zinc/00/10/67/207001067.db2.gz AWJVHINBUGDYNN-HLIPFELVSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@@H]1C[C@H](C)N(Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C[NH3+] ZINC000422559484 296312212 /nfs/dbraw/zinc/31/22/12/296312212.db2.gz DFSGHGFRVRBCBV-HZSPNIEDSA-N 1 3 318.490 2.954 20 0 DFADHO C[C@@H]1C[C@@H](C)N(Cc2cc(-n3ccnc3)cs2)C[C@@H]1C[NH3+] ZINC000422562482 296313113 /nfs/dbraw/zinc/31/31/13/296313113.db2.gz QLAICCJLMLRNBH-MCIONIFRSA-N 1 3 304.463 2.739 20 0 DFADHO C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623484971 399399435 /nfs/dbraw/zinc/39/94/35/399399435.db2.gz JBMAHAJTQGCWRQ-WMZOPIPTSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@@H](CN(C)Cc1ccccc1)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623484971 399399439 /nfs/dbraw/zinc/39/94/39/399399439.db2.gz JBMAHAJTQGCWRQ-WMZOPIPTSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@@H](CN(C)Cc1ccccc1)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623484971 399399442 /nfs/dbraw/zinc/39/94/42/399399442.db2.gz JBMAHAJTQGCWRQ-WMZOPIPTSA-N 1 3 303.494 2.969 20 0 DFADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1CN)N1CCc2ccccc2C1 ZINC000422703487 296318577 /nfs/dbraw/zinc/31/85/77/296318577.db2.gz NFDTVEJNPYFVRN-PKOBYXMFSA-N 1 3 315.505 2.930 20 0 DFADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000422703595 296318647 /nfs/dbraw/zinc/31/86/47/296318647.db2.gz NLRHUGDGSDEAGD-DFNIBXOVSA-N 1 3 313.489 2.696 20 0 DFADHO CN1CC[C@@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623511074 399404793 /nfs/dbraw/zinc/40/47/93/399404793.db2.gz YZUYLXQFQJOIPC-RBUKOAKNSA-N 1 3 315.505 2.971 20 0 DFADHO Cc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422706195 296318975 /nfs/dbraw/zinc/31/89/75/296318975.db2.gz SZNVNNYSVIZGMT-CEXWTWQISA-N 1 3 302.462 2.593 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1cc(Cl)cc(Cl)c1 ZINC000422707741 296319363 /nfs/dbraw/zinc/31/93/63/296319363.db2.gz AQLZXYOJRUZQKC-LKTVYLICSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422707741 296319364 /nfs/dbraw/zinc/31/93/64/296319364.db2.gz AQLZXYOJRUZQKC-LKTVYLICSA-N 1 3 317.260 2.878 20 0 DFADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000422708393 296319382 /nfs/dbraw/zinc/31/93/82/296319382.db2.gz BYGHLSFKSXDERP-ROUUACIJSA-N 1 3 315.461 2.559 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)N1CCc2ccccc2C1 ZINC000422711888 296320169 /nfs/dbraw/zinc/32/01/69/296320169.db2.gz HQFAORKSQWIOKK-SUMDDJOVSA-N 1 3 301.478 2.540 20 0 DFADHO C[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422711888 296320170 /nfs/dbraw/zinc/32/01/70/296320170.db2.gz HQFAORKSQWIOKK-SUMDDJOVSA-N 1 3 301.478 2.540 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000268940853 207104522 /nfs/dbraw/zinc/10/45/22/207104522.db2.gz AGRSXTSRTLDIFH-QZTJIDSGSA-N 1 3 300.446 2.580 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000268940853 207104526 /nfs/dbraw/zinc/10/45/26/207104526.db2.gz AGRSXTSRTLDIFH-QZTJIDSGSA-N 1 3 300.446 2.580 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000268940853 207104530 /nfs/dbraw/zinc/10/45/30/207104530.db2.gz AGRSXTSRTLDIFH-QZTJIDSGSA-N 1 3 300.446 2.580 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000268940853 207104532 /nfs/dbraw/zinc/10/45/32/207104532.db2.gz AGRSXTSRTLDIFH-QZTJIDSGSA-N 1 3 300.446 2.580 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)CC1(C)C ZINC000623527776 399409103 /nfs/dbraw/zinc/40/91/03/399409103.db2.gz GRDPKCYXWJFZCR-SCTDSRPQSA-N 1 3 302.462 2.615 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)CC1(C)C ZINC000623527776 399409105 /nfs/dbraw/zinc/40/91/05/399409105.db2.gz GRDPKCYXWJFZCR-SCTDSRPQSA-N 1 3 302.462 2.615 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc3nsnc32)[C@H](C)C1 ZINC000268953959 207118344 /nfs/dbraw/zinc/11/83/44/207118344.db2.gz SYBVQBHRNDBFCA-DOMZBBRYSA-N 1 3 304.463 2.853 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc3nsnc32)[C@H](C)C1 ZINC000268953959 207118348 /nfs/dbraw/zinc/11/83/48/207118348.db2.gz SYBVQBHRNDBFCA-DOMZBBRYSA-N 1 3 304.463 2.853 20 0 DFADHO COc1ccc(CCN[C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1F ZINC000422714504 296320701 /nfs/dbraw/zinc/32/07/01/296320701.db2.gz RDVJSSWZNNMOKF-KBXCAEBGSA-N 1 3 316.420 2.925 20 0 DFADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422717956 296320803 /nfs/dbraw/zinc/32/08/03/296320803.db2.gz KXEOOUDECDEVKI-UONOGXRCSA-N 1 3 324.350 2.861 20 0 DFADHO C[C@@H](N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C)C1C[NH2+]C1 ZINC000422725374 296322086 /nfs/dbraw/zinc/32/20/86/296322086.db2.gz BFEBMHKJFMPCRT-BEFAXECRSA-N 1 3 315.505 2.657 20 0 DFADHO C[N@@H+]1CC[C@@H](N[C@H]2CCN(c3ccc(F)cc3)C2)CC1(C)C ZINC000623551947 399414564 /nfs/dbraw/zinc/41/45/64/399414564.db2.gz PHDAUBRYCRSXCK-CVEARBPZSA-N 1 3 305.441 2.867 20 0 DFADHO C[N@H+]1CC[C@@H](N[C@H]2CCN(c3ccc(F)cc3)C2)CC1(C)C ZINC000623551947 399414568 /nfs/dbraw/zinc/41/45/68/399414568.db2.gz PHDAUBRYCRSXCK-CVEARBPZSA-N 1 3 305.441 2.867 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)cc3)C2)CC1(C)C ZINC000623551948 399414673 /nfs/dbraw/zinc/41/46/73/399414673.db2.gz PHDAUBRYCRSXCK-HOTGVXAUSA-N 1 3 305.441 2.867 20 0 DFADHO C[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)cc3)C2)CC1(C)C ZINC000623551948 399414675 /nfs/dbraw/zinc/41/46/75/399414675.db2.gz PHDAUBRYCRSXCK-HOTGVXAUSA-N 1 3 305.441 2.867 20 0 DFADHO CC(C)[C@@H](CCc1ccccc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000268967059 207131639 /nfs/dbraw/zinc/13/16/39/207131639.db2.gz HGKYWNDUUPHUJX-GOSISDBHSA-N 1 3 304.478 2.690 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422727820 296322648 /nfs/dbraw/zinc/32/26/48/296322648.db2.gz HZBSUTNMYXAPQI-WJFTUGDTSA-N 1 3 319.468 2.939 20 0 DFADHO CO[C@@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C(C)C ZINC000268998666 207155389 /nfs/dbraw/zinc/15/53/89/207155389.db2.gz UFZJTXFLIDEEFR-YJBOKZPZSA-N 1 3 308.466 2.949 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623656541 399436413 /nfs/dbraw/zinc/43/64/13/399436413.db2.gz WNKPQWDWXVMHEJ-HOJAQTOUSA-N 1 3 315.505 2.828 20 0 DFADHO COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000623656810 399436879 /nfs/dbraw/zinc/43/68/79/399436879.db2.gz CGCQNHDIFSNSQV-WMZOPIPTSA-N 1 3 320.477 2.922 20 0 DFADHO Fc1cccc2c1CC[C@@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000269044461 207194166 /nfs/dbraw/zinc/19/41/66/207194166.db2.gz WGVUAXJEWQKHII-KUHUBIRLSA-N 1 3 318.436 2.904 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422736023 296323854 /nfs/dbraw/zinc/32/38/54/296323854.db2.gz VNBJDOIEVJVQJX-ZDUSSCGKSA-N 1 3 311.429 2.677 20 0 DFADHO CC[C@@H](NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422735801 296323877 /nfs/dbraw/zinc/32/38/77/296323877.db2.gz WRXKMUUJWYAJBE-QYZOEREBSA-N 1 3 301.478 2.944 20 0 DFADHO C[C@H](N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422740765 296324564 /nfs/dbraw/zinc/32/45/64/296324564.db2.gz NEAVPSSHOBPAGI-DKKFBQAASA-N 1 3 301.478 2.942 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000422743263 296324782 /nfs/dbraw/zinc/32/47/82/296324782.db2.gz RFESQBVCXDLTJO-GDBMZVCRSA-N 1 3 304.482 2.620 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000422743263 296324783 /nfs/dbraw/zinc/32/47/83/296324783.db2.gz RFESQBVCXDLTJO-GDBMZVCRSA-N 1 3 304.482 2.620 20 0 DFADHO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CNCC[C@H]2C)CC1 ZINC000422748407 296325523 /nfs/dbraw/zinc/32/55/23/296325523.db2.gz UJVCILPAADEIDI-GPMSIDNRSA-N 1 3 301.478 2.800 20 0 DFADHO COc1ccccc1[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])N(C)C ZINC000422748950 296325633 /nfs/dbraw/zinc/32/56/33/296325633.db2.gz WVPDYAWEPAGHFO-ULQDDVLXSA-N 1 3 305.466 2.548 20 0 DFADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCCCC[C@@H]1N)N(C)C ZINC000422748950 296325634 /nfs/dbraw/zinc/32/56/34/296325634.db2.gz WVPDYAWEPAGHFO-ULQDDVLXSA-N 1 3 305.466 2.548 20 0 DFADHO CC[C@H](N[C@@H]1CCC[C@@H](C(=O)NC(C)C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422748543 296325759 /nfs/dbraw/zinc/32/57/59/296325759.db2.gz UZSXZBMXHNAOCJ-NCOADZHNSA-N 1 3 309.498 2.580 20 0 DFADHO C[C@H](NCC1(c2cccc(Br)c2)CC1)C1C[NH2+]C1 ZINC000422747974 296325861 /nfs/dbraw/zinc/32/58/61/296325861.db2.gz RIATURHQFNRJMZ-NSHDSACASA-N 1 3 309.251 2.678 20 0 DFADHO C[C@H]([NH2+]CC1(c2cccc(Br)c2)CC1)C1CNC1 ZINC000422747974 296325862 /nfs/dbraw/zinc/32/58/62/296325862.db2.gz RIATURHQFNRJMZ-NSHDSACASA-N 1 3 309.251 2.678 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000422751891 296326429 /nfs/dbraw/zinc/32/64/29/296326429.db2.gz DEPQUAGYJBMVEF-WMQCIHAUSA-N 1 3 323.484 2.809 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000422751891 296326430 /nfs/dbraw/zinc/32/64/30/296326430.db2.gz DEPQUAGYJBMVEF-WMQCIHAUSA-N 1 3 323.484 2.809 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000422753599 296327018 /nfs/dbraw/zinc/32/70/18/296327018.db2.gz IRSUIOXNDIKSJZ-VDGAXYAQSA-N 1 3 311.473 2.837 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](c1ccccc1)N(C)C ZINC000422753599 296327020 /nfs/dbraw/zinc/32/70/20/296327020.db2.gz IRSUIOXNDIKSJZ-VDGAXYAQSA-N 1 3 311.473 2.837 20 0 DFADHO c1nc2ccccc2n1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422755204 296327263 /nfs/dbraw/zinc/32/72/63/296327263.db2.gz GKHHJXKKVVRFAZ-YESZJQIVSA-N 1 3 312.461 2.937 20 0 DFADHO COc1ccc([C@H](CN[C@H]2CCC[C@H]2[NH3+])N2CCCCC2)cc1 ZINC000422755442 296327285 /nfs/dbraw/zinc/32/72/85/296327285.db2.gz HSRVYHJGYIUCDT-QYZOEREBSA-N 1 3 317.477 2.692 20 0 DFADHO COc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2N)N2CCCCC2)cc1 ZINC000422755442 296327286 /nfs/dbraw/zinc/32/72/86/296327286.db2.gz HSRVYHJGYIUCDT-QYZOEREBSA-N 1 3 317.477 2.692 20 0 DFADHO C[C@@H](NCCCc1ccc(Br)cc1F)C1C[NH2+]C1 ZINC000422753992 296326938 /nfs/dbraw/zinc/32/69/38/296326938.db2.gz FPNOPCNHHYIIDF-SNVBAGLBSA-N 1 3 315.230 2.718 20 0 DFADHO C[C@@H]([NH2+]CCCc1ccc(Br)cc1F)C1CNC1 ZINC000422753992 296326940 /nfs/dbraw/zinc/32/69/40/296326940.db2.gz FPNOPCNHHYIIDF-SNVBAGLBSA-N 1 3 315.230 2.718 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCN1CCCCCC1=O ZINC000422760007 296327950 /nfs/dbraw/zinc/32/79/50/296327950.db2.gz PTMMGVLINWENCD-IAGOWNOFSA-N 1 3 309.498 2.680 20 0 DFADHO Cc1ccc(SCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422757425 296327765 /nfs/dbraw/zinc/32/77/65/296327765.db2.gz CXPMJBCNPHFYOP-KZNAEPCWSA-N 1 3 320.502 2.834 20 0 DFADHO CC[C@H](NCC1(N2CCOCC2)CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422763448 296328814 /nfs/dbraw/zinc/32/88/14/296328814.db2.gz OQWMZYDJVBAQIE-ZWKOTPCHSA-N 1 3 323.525 2.532 20 0 DFADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)[C@H]1CCCCN1 ZINC000422763448 296328815 /nfs/dbraw/zinc/32/88/15/296328815.db2.gz OQWMZYDJVBAQIE-ZWKOTPCHSA-N 1 3 323.525 2.532 20 0 DFADHO CCOc1cc(CCC[NH2+][C@H]2CCC[C@H]2CN)ccc1OC ZINC000422768934 296330105 /nfs/dbraw/zinc/33/01/05/296330105.db2.gz ZSNATKYWMAOLOW-HOTGVXAUSA-N 1 3 306.450 2.744 20 0 DFADHO C[C@H](COc1ccccc1C(F)(F)F)[NH2+]C1CCNCC1 ZINC000422770083 296330231 /nfs/dbraw/zinc/33/02/31/296330231.db2.gz WJRIFOXUTKZPDH-LLVKDONJSA-N 1 3 302.340 2.814 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422770813 296330328 /nfs/dbraw/zinc/33/03/28/296330328.db2.gz XHUHAEGOKBSHHL-QILLFSRXSA-N 1 3 305.441 2.902 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422770813 296330329 /nfs/dbraw/zinc/33/03/29/296330329.db2.gz XHUHAEGOKBSHHL-QILLFSRXSA-N 1 3 305.441 2.902 20 0 DFADHO COc1cccc(N2CCC[C@H]([NH2+][C@H]3CCCC[C@@H]3CN)C2)c1 ZINC000422770772 296330369 /nfs/dbraw/zinc/33/03/69/296330369.db2.gz XFWHBVFVGNLYHZ-GJYPPUQNSA-N 1 3 317.477 2.771 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@H]3CCCC[C@@H]3C[NH3+])C2)c1 ZINC000422770772 296330370 /nfs/dbraw/zinc/33/03/70/296330370.db2.gz XFWHBVFVGNLYHZ-GJYPPUQNSA-N 1 3 317.477 2.771 20 0 DFADHO C[C@@H](NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422776514 296331057 /nfs/dbraw/zinc/33/10/57/296331057.db2.gz CTKXVWOWMXOVQS-QRQLOZEOSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1C(F)(F)F ZINC000422778669 296331368 /nfs/dbraw/zinc/33/13/68/296331368.db2.gz HVUYRLAUIZTEFB-VHRBIJSZSA-N 1 3 302.340 2.547 20 0 DFADHO C[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)N)N1CCC(C)CC1 ZINC000422779813 296331397 /nfs/dbraw/zinc/33/13/97/296331397.db2.gz IXMGZEAADJSNKX-ZIFCJYIRSA-N 1 3 303.494 2.655 20 0 DFADHO COc1ccc(OCC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422778068 296331693 /nfs/dbraw/zinc/33/16/93/296331693.db2.gz AANGNHOPWNPNRG-ZDUSSCGKSA-N 1 3 315.417 2.587 20 0 DFADHO Cc1cccc(O[C@H](C)CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422787999 296332951 /nfs/dbraw/zinc/33/29/51/296332951.db2.gz MVQNALJUNPITSM-XGXHKWSGSA-N 1 3 318.461 2.509 20 0 DFADHO CC(C)C(=O)Nc1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422788389 296333043 /nfs/dbraw/zinc/33/30/43/296333043.db2.gz AMHPYAJFTCGMGQ-YOEHRIQHSA-N 1 3 303.450 2.759 20 0 DFADHO CSCC[C@@H](N[C@H](C)CCCC[NH3+])c1nnc2ccccn21 ZINC000422794497 296333960 /nfs/dbraw/zinc/33/39/60/296333960.db2.gz GUCRIKLXRHITHV-ZIAGYGMSSA-N 1 3 321.494 2.631 20 0 DFADHO CO[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422795434 296334509 /nfs/dbraw/zinc/33/45/09/296334509.db2.gz VOILQYITEMMRJQ-QFHJOOASSA-N 1 3 316.445 2.790 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](C)Oc1cccc(Br)c1 ZINC000422796062 296334532 /nfs/dbraw/zinc/33/45/32/296334532.db2.gz IKQCWJFYNBRAOT-SRVKXCTJSA-N 1 3 315.255 2.932 20 0 DFADHO C[C@H](C[NH2+]C1CCNCC1)Oc1ccc(Br)cc1 ZINC000422797151 296334813 /nfs/dbraw/zinc/33/48/13/296334813.db2.gz LEKPJHOANMPZPZ-LLVKDONJSA-N 1 3 313.239 2.558 20 0 DFADHO CC(C)[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000269255135 207396534 /nfs/dbraw/zinc/39/65/34/207396534.db2.gz ROMPOTWMPWSWJT-QGZVFWFLSA-N 1 3 303.450 2.637 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000422809389 296336848 /nfs/dbraw/zinc/33/68/48/296336848.db2.gz MFHOCZSVCRXOAZ-QGTPRVQTSA-N 1 3 313.449 2.880 20 0 DFADHO CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])ccc2NC1=O ZINC000422809907 296336928 /nfs/dbraw/zinc/33/69/28/296336928.db2.gz MOZKBMOMFHAXNO-OXIQGZBJSA-N 1 3 305.422 2.573 20 0 DFADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccc2c(c1)OCO2 ZINC000422808118 296337010 /nfs/dbraw/zinc/33/70/10/296337010.db2.gz AJGSYEZSWZZRHY-UKRRQHHQSA-N 1 3 304.434 2.800 20 0 DFADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000422815328 296338232 /nfs/dbraw/zinc/33/82/32/296338232.db2.gz XKHWFGFUYTWQID-NWDGAFQWSA-N 1 3 313.401 2.989 20 0 DFADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422818927 296339011 /nfs/dbraw/zinc/33/90/11/296339011.db2.gz HNEVZVRHUBEQIQ-KGLIPLIRSA-N 1 3 302.340 2.735 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422819884 296339029 /nfs/dbraw/zinc/33/90/29/296339029.db2.gz JFYMESKPERIKQT-DZGCQCFKSA-N 1 3 304.434 2.671 20 0 DFADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422818929 296339056 /nfs/dbraw/zinc/33/90/56/296339056.db2.gz HNEVZVRHUBEQIQ-ZIAGYGMSSA-N 1 3 302.340 2.735 20 0 DFADHO C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@@H]1CCCCN1 ZINC000422815396 296338501 /nfs/dbraw/zinc/33/85/01/296338501.db2.gz BLTFZXNRLGXBHJ-WMZOPIPTSA-N 1 3 312.461 2.594 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422817256 296338633 /nfs/dbraw/zinc/33/86/33/296338633.db2.gz HCIFEJWVMBANEQ-ZFWWWQNUSA-N 1 3 321.431 2.629 20 0 DFADHO CC(C)(CN[C@@H]1CCCCC[C@@H]1[NH3+])c1ccc2c(c1)OCO2 ZINC000422823649 296339815 /nfs/dbraw/zinc/33/98/15/296339815.db2.gz MBKJONUQPSACKY-LSDHHAIUSA-N 1 3 304.434 2.943 20 0 DFADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccc2c(c1)OCCO2 ZINC000422824990 296340007 /nfs/dbraw/zinc/34/00/07/296340007.db2.gz OVDMQYZFLCACPV-GDBMZVCRSA-N 1 3 318.461 2.843 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422821260 296339387 /nfs/dbraw/zinc/33/93/87/296339387.db2.gz VGHPSBRVKVIVOA-LSDHHAIUSA-N 1 3 321.431 2.758 20 0 DFADHO Cc1ccc([C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422826729 296340328 /nfs/dbraw/zinc/34/03/28/296340328.db2.gz LYLIHVUDRVMDNV-WDSOQIARSA-N 1 3 301.478 2.862 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422833734 296341698 /nfs/dbraw/zinc/34/16/98/296341698.db2.gz MUVUISYXLVYQJV-KZNAEPCWSA-N 1 3 302.462 2.711 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000422844071 296343448 /nfs/dbraw/zinc/34/34/48/296343448.db2.gz KSRGYZURQOOHPE-BMGDILEWSA-N 1 3 304.478 2.869 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1ccc(C(C)(C)C)cc1 ZINC000422844071 296343450 /nfs/dbraw/zinc/34/34/50/296343450.db2.gz KSRGYZURQOOHPE-BMGDILEWSA-N 1 3 304.478 2.869 20 0 DFADHO COc1ccccc1N1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000422841032 296342556 /nfs/dbraw/zinc/34/25/56/296342556.db2.gz VBRKYLKKMSWUAY-RDJZCZTQSA-N 1 3 317.477 2.771 20 0 DFADHO CO[C@@H]1C[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000422849345 296344553 /nfs/dbraw/zinc/34/45/53/296344553.db2.gz LPKWRZNKFVYHCU-XZKMEQPCSA-N 1 3 316.445 2.645 20 0 DFADHO C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N)N1CCCC[C@@H]1C ZINC000422862119 296346435 /nfs/dbraw/zinc/34/64/35/296346435.db2.gz NKUBCIQLQRLFFB-ZMMAXQRCSA-N 1 3 303.494 2.797 20 0 DFADHO CC(=O)Nc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)c1 ZINC000422866318 296347098 /nfs/dbraw/zinc/34/70/98/296347098.db2.gz QEGWQYJFSFOUKI-KUHUBIRLSA-N 1 3 311.429 2.693 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422865347 296347217 /nfs/dbraw/zinc/34/72/17/296347217.db2.gz XWFDGJIHGAYOFO-DOMZBBRYSA-N 1 3 309.841 2.694 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000422865347 296347219 /nfs/dbraw/zinc/34/72/19/296347219.db2.gz XWFDGJIHGAYOFO-DOMZBBRYSA-N 1 3 309.841 2.694 20 0 DFADHO CC1CCN(CC[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000422868964 296347491 /nfs/dbraw/zinc/34/74/91/296347491.db2.gz WJTGOGLVVZDRMO-RTBURBONSA-N 1 3 301.478 2.801 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CCCC[C@H]2C[NH3+])N2CCCC2)o1 ZINC000422876987 296349138 /nfs/dbraw/zinc/34/91/38/296349138.db2.gz HCUIVISAZFEWIJ-ULQDDVLXSA-N 1 3 305.466 2.832 20 0 DFADHO c1cnn(-c2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000422882906 296350228 /nfs/dbraw/zinc/35/02/28/296350228.db2.gz POHPHTUGCQHPRD-GBESFXJTSA-N 1 3 310.445 2.883 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422884008 296350260 /nfs/dbraw/zinc/35/02/60/296350260.db2.gz RGEGOBQEBICDOX-OAGGEKHMSA-N 1 3 318.509 2.867 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CCCCC[C@H]2[NH3+])N2CCCC2)o1 ZINC000422885390 296350454 /nfs/dbraw/zinc/35/04/54/296350454.db2.gz YLRDWUNRFZGZJB-IKGGRYGDSA-N 1 3 305.466 2.975 20 0 DFADHO Cc1ccc([C@H](C[NH2+][C@H]2CCCCC[C@H]2N)N2CCCC2)o1 ZINC000422885390 296350456 /nfs/dbraw/zinc/35/04/56/296350456.db2.gz YLRDWUNRFZGZJB-IKGGRYGDSA-N 1 3 305.466 2.975 20 0 DFADHO Cc1nc(C)c(CCN[C@H](Cc2ccccc2)[C@H](C)[NH3+])s1 ZINC000422885593 296350528 /nfs/dbraw/zinc/35/05/28/296350528.db2.gz HCTOTYNRRIBMEI-BLLLJJGKSA-N 1 3 303.475 2.851 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422880379 296349431 /nfs/dbraw/zinc/34/94/31/296349431.db2.gz OAHAKSDVKYKBOX-BMGDILEWSA-N 1 3 320.452 2.979 20 0 DFADHO CCCCOc1cccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000422889844 296351179 /nfs/dbraw/zinc/35/11/79/296351179.db2.gz GZYOTQFITMHLTK-BMGDILEWSA-N 1 3 306.450 2.707 20 0 DFADHO C[C@H](CCn1cccn1)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000119675628 195015229 /nfs/dbraw/zinc/01/52/29/195015229.db2.gz MELWRVODBQREHZ-IXDOHACOSA-N 1 3 304.482 2.904 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000422899835 296352899 /nfs/dbraw/zinc/35/28/99/296352899.db2.gz IHECPJKQUJLGSC-GDBMZVCRSA-N 1 3 302.397 2.537 20 0 DFADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422897490 296352517 /nfs/dbraw/zinc/35/25/17/296352517.db2.gz JWVSVJLGUZJGLD-FGTMMUONSA-N 1 3 318.436 2.604 20 0 DFADHO Cc1cccc(NCCN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000422924106 296356073 /nfs/dbraw/zinc/35/60/73/296356073.db2.gz XQPYIRXIVWSOHT-QZTJIDSGSA-N 1 3 310.445 2.885 20 0 DFADHO CC[C@@H](Cc1ccccc1Br)[NH2+][C@@H](C)C1CNC1 ZINC000422928200 296356527 /nfs/dbraw/zinc/35/65/27/296356527.db2.gz JLYXNRRATFLWPK-FZMZJTMJSA-N 1 3 311.267 2.968 20 0 DFADHO CC[C@@H](Cc1ccccc1Br)N[C@@H](C)C1C[NH2+]C1 ZINC000422928200 296356529 /nfs/dbraw/zinc/35/65/29/296356529.db2.gz JLYXNRRATFLWPK-FZMZJTMJSA-N 1 3 311.267 2.968 20 0 DFADHO CC[C@H]([NH2+]CCOc1cccc(NC(C)=O)c1)[C@H]1CCCCN1 ZINC000422936811 296357903 /nfs/dbraw/zinc/35/79/03/296357903.db2.gz BYWDVUJQANOGSJ-ZWKOTPCHSA-N 1 3 319.449 2.534 20 0 DFADHO CC(C)c1noc(CCCN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])n1 ZINC000422943623 296358604 /nfs/dbraw/zinc/35/86/04/296358604.db2.gz YNSNNRPIOOOPIH-ZBFHGGJFSA-N 1 3 316.449 2.674 20 0 DFADHO CCCCNC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422944717 296358964 /nfs/dbraw/zinc/35/89/64/296358964.db2.gz SLEXZVRKZMWEHV-QZTJIDSGSA-N 1 3 317.477 2.824 20 0 DFADHO C[C@H](Cc1ccc(F)c(Br)c1)N[C@@H](C)C1C[NH2+]C1 ZINC000422945823 296359000 /nfs/dbraw/zinc/35/90/00/296359000.db2.gz VHHWEVHZVZXAKS-ZJUUUORDSA-N 1 3 315.230 2.717 20 0 DFADHO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H](C)C1CNC1 ZINC000422945823 296359003 /nfs/dbraw/zinc/35/90/03/296359003.db2.gz VHHWEVHZVZXAKS-ZJUUUORDSA-N 1 3 315.230 2.717 20 0 DFADHO C[C@H](NCCOc1ccc(C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000422949085 296359575 /nfs/dbraw/zinc/35/95/75/296359575.db2.gz SRANRFQYUWVMHB-NWDGAFQWSA-N 1 3 302.340 2.672 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CCCCO1 ZINC000624012216 399523079 /nfs/dbraw/zinc/52/30/79/399523079.db2.gz UMFYCNXCQVBJAF-VQIMIIECSA-N 1 3 317.477 2.841 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCCCc1nc(-c2ccncc2)cs1 ZINC000422956966 296360790 /nfs/dbraw/zinc/36/07/90/296360790.db2.gz RSPWDLZVGUGDSA-STQMWFEESA-N 1 3 304.463 2.853 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422956966 296360791 /nfs/dbraw/zinc/36/07/91/296360791.db2.gz RSPWDLZVGUGDSA-STQMWFEESA-N 1 3 304.463 2.853 20 0 DFADHO [NH3+][C@H]1CCC[C@@H]1NCCCc1nc(-c2ccncc2)cs1 ZINC000422958220 296360955 /nfs/dbraw/zinc/36/09/55/296360955.db2.gz XCXXCTOGWWUGHT-KBPBESRZSA-N 1 3 302.447 2.607 20 0 DFADHO C[C@H]1CC[NH2+]C[C@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000422953811 296360294 /nfs/dbraw/zinc/36/02/94/296360294.db2.gz GNEZFOLPXPYBLM-WMLDXEAASA-N 1 3 305.491 2.645 20 0 DFADHO Cc1nccn1C[C@H](C)C[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000422961649 296361390 /nfs/dbraw/zinc/36/13/90/296361390.db2.gz ZMIYIPIPISXDMM-AYOQOUSVSA-N 1 3 312.461 2.911 20 0 DFADHO CCc1noc(-c2ccc(CCN[C@H](C)C[C@@H](C)[NH3+])cc2)n1 ZINC000422960531 296361510 /nfs/dbraw/zinc/36/15/10/296361510.db2.gz WUNILGXVGJLMQR-CHWSQXEVSA-N 1 3 302.422 2.557 20 0 DFADHO CCc1noc(-c2ccc(CC[NH2+][C@H](C)C[C@@H](C)N)cc2)n1 ZINC000422960531 296361511 /nfs/dbraw/zinc/36/15/11/296361511.db2.gz WUNILGXVGJLMQR-CHWSQXEVSA-N 1 3 302.422 2.557 20 0 DFADHO CCC(CC)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N)N(C)C ZINC000422962708 296361663 /nfs/dbraw/zinc/36/16/63/296361663.db2.gz GMUXUJFQKSHAKT-MNEFBYGVSA-N 1 3 305.510 2.901 20 0 DFADHO c1cn(-c2ccccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000422966990 296362090 /nfs/dbraw/zinc/36/20/90/296362090.db2.gz OMDQITZBSWOJEJ-KZNAEPCWSA-N 1 3 310.445 2.883 20 0 DFADHO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]1CCCCN1 ZINC000422970726 296362937 /nfs/dbraw/zinc/36/29/37/296362937.db2.gz WTTRWQPFFIZOHE-GJYPPUQNSA-N 1 3 316.493 2.727 20 0 DFADHO C[C@@H](NC1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422970726 296362938 /nfs/dbraw/zinc/36/29/38/296362938.db2.gz WTTRWQPFFIZOHE-GJYPPUQNSA-N 1 3 316.493 2.727 20 0 DFADHO c1ccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)nc1 ZINC000422968860 296362528 /nfs/dbraw/zinc/36/25/28/296362528.db2.gz SHBWPQRHYUGLEM-XLAORIBOSA-N 1 3 314.477 2.561 20 0 DFADHO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)C1 ZINC000422987760 296364165 /nfs/dbraw/zinc/36/41/65/296364165.db2.gz HJSDTIHRQFLRLN-LULLPPNCSA-N 1 3 301.478 2.798 20 0 DFADHO Oc1ccccc1CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422975735 296363344 /nfs/dbraw/zinc/36/33/44/296363344.db2.gz UAOMGIKCRWGBME-PXNSSMCTSA-N 1 3 324.424 2.780 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCOc1cccc(C(C)(C)C)c1 ZINC000422983283 296363910 /nfs/dbraw/zinc/36/39/10/296363910.db2.gz SPAOZKALLBUYTK-QGTPRVQTSA-N 1 3 320.477 2.705 20 0 DFADHO c1ccc(CC2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422993821 296365022 /nfs/dbraw/zinc/36/50/22/296365022.db2.gz GKGOXIBGHIPXEJ-CEXWTWQISA-N 1 3 314.473 2.756 20 0 DFADHO C[C@@H](NCCc1cc(Cl)ccc1Br)C1C[NH2+]C1 ZINC000422998524 296365486 /nfs/dbraw/zinc/36/54/86/296365486.db2.gz QNLNRHYXVSIDJQ-SECBINFHSA-N 1 3 317.658 2.843 20 0 DFADHO C[C@@H]([NH2+]CCc1cc(Cl)ccc1Br)C1CNC1 ZINC000422998524 296365489 /nfs/dbraw/zinc/36/54/89/296365489.db2.gz QNLNRHYXVSIDJQ-SECBINFHSA-N 1 3 317.658 2.843 20 0 DFADHO C[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])c1nc(-c2ccccc2)no1 ZINC000423014037 296367723 /nfs/dbraw/zinc/36/77/23/296367723.db2.gz NXDUQVMZOBXECP-KBMXLJTQSA-N 1 3 314.433 2.947 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)c1nc(-c2ccccc2)no1 ZINC000423014037 296367724 /nfs/dbraw/zinc/36/77/24/296367724.db2.gz NXDUQVMZOBXECP-KBMXLJTQSA-N 1 3 314.433 2.947 20 0 DFADHO COc1cc(F)cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)c1 ZINC000423011270 296367475 /nfs/dbraw/zinc/36/74/75/296367475.db2.gz ATIYYETVYPFOEM-SCLBCKFNSA-N 1 3 302.393 2.882 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3CO2)[C@@H]2CCC[C@H]21 ZINC000624055692 399538066 /nfs/dbraw/zinc/53/80/66/399538066.db2.gz MRABSRFVGYJZKO-CADBVGFASA-N 1 3 300.446 2.590 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3CO2)[C@@H]2CCC[C@H]21 ZINC000624055692 399538069 /nfs/dbraw/zinc/53/80/69/399538069.db2.gz MRABSRFVGYJZKO-CADBVGFASA-N 1 3 300.446 2.590 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423027006 296369107 /nfs/dbraw/zinc/36/91/07/296369107.db2.gz CQJUTWAXLACEKY-UKRRQHHQSA-N 1 3 318.396 2.525 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423027006 296369109 /nfs/dbraw/zinc/36/91/09/296369109.db2.gz CQJUTWAXLACEKY-UKRRQHHQSA-N 1 3 318.396 2.525 20 0 DFADHO CC[C@H]([NH2+][C@H]1COc2cc(OC)ccc2C1)[C@H]1CCCCN1 ZINC000423021362 296368788 /nfs/dbraw/zinc/36/87/88/296368788.db2.gz FBBYWQYJTPWZPH-HYVNUMGLSA-N 1 3 304.434 2.509 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H]3CCC[C@@H]3[NH3+])c2)CC1 ZINC000423021543 296368799 /nfs/dbraw/zinc/36/87/99/296368799.db2.gz CDKDULSUVOEEKG-ZWKOTPCHSA-N 1 3 302.466 2.509 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H](C)CCC[NH3+])c2)CC1 ZINC000423023641 296368877 /nfs/dbraw/zinc/36/88/77/296368877.db2.gz HVBSIVTWJLISBO-MRXNPFEDSA-N 1 3 304.482 2.756 20 0 DFADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCCO1 ZINC000423044952 296371455 /nfs/dbraw/zinc/37/14/55/296371455.db2.gz RMRSFCLJHNSBML-LKCYJCQHSA-N 1 3 316.445 2.790 20 0 DFADHO Cc1ccccc1C[C@H](CO)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423056138 296372709 /nfs/dbraw/zinc/37/27/09/296372709.db2.gz FDMPPQSVWZWFBQ-NZSAHSFTSA-N 1 3 304.478 2.799 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000423058762 296373203 /nfs/dbraw/zinc/37/32/03/296373203.db2.gz DALKEBVMNTXRKV-CRWXNKLISA-N 1 3 308.388 2.577 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000423058764 296373242 /nfs/dbraw/zinc/37/32/42/296373242.db2.gz DALKEBVMNTXRKV-XDQVBPFNSA-N 1 3 308.388 2.577 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423068846 296374391 /nfs/dbraw/zinc/37/43/91/296374391.db2.gz CXMQDGXRVNZOHJ-AAEUAGOBSA-N 1 3 317.355 2.586 20 0 DFADHO C[C@@H](NC[C@@]1(C)CCCN1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423067124 296374569 /nfs/dbraw/zinc/37/45/69/296374569.db2.gz YNKPJQDKDIJFAV-BHIYHBOVSA-N 1 3 301.478 2.771 20 0 DFADHO CN(Cc1ccccc1)[C@@H](CN[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000423063737 296373899 /nfs/dbraw/zinc/37/38/99/296373899.db2.gz POBCBVKIFNWIOB-OALUTQOASA-N 1 3 301.478 2.629 20 0 DFADHO CCC(O)(CC)CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423074575 296375296 /nfs/dbraw/zinc/37/52/96/296375296.db2.gz UZYJSTNZRAYEON-QFBILLFUSA-N 1 3 318.461 2.773 20 0 DFADHO CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N)Cc1ccccc1 ZINC000423067453 296374681 /nfs/dbraw/zinc/37/46/81/296374681.db2.gz HCXLBZZGDJMHCP-XGXHKWSGSA-N 1 3 304.478 2.843 20 0 DFADHO O[C@@H]1CCC[C@]1(CN[C@H]1CCC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000423072436 296374823 /nfs/dbraw/zinc/37/48/23/296374823.db2.gz HJEDLIOXXZWVDP-IPMKNSEASA-N 1 3 320.452 2.631 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423071640 296374896 /nfs/dbraw/zinc/37/48/96/296374896.db2.gz GADHVDVQZNBWBX-ZZCKCESHSA-N 1 3 308.441 2.615 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423071640 296374897 /nfs/dbraw/zinc/37/48/97/296374897.db2.gz GADHVDVQZNBWBX-ZZCKCESHSA-N 1 3 308.441 2.615 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCCCOc1ccc(C(F)(F)F)cn1 ZINC000423082491 296375807 /nfs/dbraw/zinc/37/58/07/296375807.db2.gz WYYDYDPSZLINCJ-WDEREUQCSA-N 1 3 305.344 2.585 20 0 DFADHO C[C@H](C[C@H](C)N)[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423082491 296375809 /nfs/dbraw/zinc/37/58/09/296375809.db2.gz WYYDYDPSZLINCJ-WDEREUQCSA-N 1 3 305.344 2.585 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423094690 296377577 /nfs/dbraw/zinc/37/75/77/296377577.db2.gz KLUWVALDSRBXBS-ZHCJQAHYSA-N 1 3 308.466 2.619 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423094689 296377586 /nfs/dbraw/zinc/37/75/86/296377586.db2.gz KLUWVALDSRBXBS-JSRQGNBESA-N 1 3 308.466 2.619 20 0 DFADHO CC1(c2ccccc2)CC(N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423094411 296377678 /nfs/dbraw/zinc/37/76/78/296377678.db2.gz BRLKRMDRWQERKT-HWRPDCHHSA-N 1 3 314.473 2.853 20 0 DFADHO [NH3+]CC1CCC(NCc2ccncc2OCC(F)(F)F)CC1 ZINC000423098365 296377785 /nfs/dbraw/zinc/37/77/85/296377785.db2.gz KQPCZQQJDMBMHI-UHFFFAOYSA-N 1 3 317.355 2.630 20 0 DFADHO C[C@@H]1CSC[C@@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423100895 296378102 /nfs/dbraw/zinc/37/81/02/296378102.db2.gz CCTFSVUYCNDVSW-UTXMOHQDSA-N 1 3 304.459 2.583 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000616994077 399557973 /nfs/dbraw/zinc/55/79/73/399557973.db2.gz UDZCWIUGYPZMCF-SJORKVTESA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000616994077 399557978 /nfs/dbraw/zinc/55/79/78/399557978.db2.gz UDZCWIUGYPZMCF-SJORKVTESA-N 1 3 323.525 2.734 20 0 DFADHO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000423101448 296378467 /nfs/dbraw/zinc/37/84/67/296378467.db2.gz CXZRHNGPMWLEQL-GYFISPQKSA-N 1 3 302.462 2.925 20 0 DFADHO FC(F)(F)COc1cccc(CCN[C@@H]2CCC[NH2+]CC2)c1 ZINC000423101958 296378518 /nfs/dbraw/zinc/37/85/18/296378518.db2.gz WRJZQNITYFGVQF-CQSZACIVSA-N 1 3 316.367 2.902 20 0 DFADHO FC(F)(F)COc1cccc(CC[NH2+][C@@H]2CCCNCC2)c1 ZINC000423101958 296378519 /nfs/dbraw/zinc/37/85/19/296378519.db2.gz WRJZQNITYFGVQF-CQSZACIVSA-N 1 3 316.367 2.902 20 0 DFADHO CC(C)c1ccc(O[C@H](C)CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000423102262 296378613 /nfs/dbraw/zinc/37/86/13/296378613.db2.gz DSRZYEILKMSELQ-WTLGNFPFSA-N 1 3 320.477 2.919 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc2c(c1)OCCO2 ZINC000624119718 399558918 /nfs/dbraw/zinc/55/89/18/399558918.db2.gz HZKHECUYCYRDQE-GJZGRUSLSA-N 1 3 304.434 2.840 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1OC ZINC000624119545 399559309 /nfs/dbraw/zinc/55/93/09/399559309.db2.gz DSWHZQHYTZPDTI-WBVHZDCISA-N 1 3 320.477 2.956 20 0 DFADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121590 399559863 /nfs/dbraw/zinc/55/98/63/399559863.db2.gz YIKCDMBAHCWSBK-UXHICEINSA-N 1 3 315.505 2.973 20 0 DFADHO C[N@@H+]1CCCC[C@H](CN[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121590 399559869 /nfs/dbraw/zinc/55/98/69/399559869.db2.gz YIKCDMBAHCWSBK-UXHICEINSA-N 1 3 315.505 2.973 20 0 DFADHO C[N@H+]1CCCC[C@H](CN[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121590 399559877 /nfs/dbraw/zinc/55/98/77/399559877.db2.gz YIKCDMBAHCWSBK-UXHICEINSA-N 1 3 315.505 2.973 20 0 DFADHO C[C@](CO)(CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423110606 296379616 /nfs/dbraw/zinc/37/96/16/296379616.db2.gz PGZUZQCLLPYDMO-MTQWCTHYSA-N 1 3 316.489 2.837 20 0 DFADHO C[C@@H](CCC[NH3+])NCc1cc(F)c(F)cc1Br ZINC000423111240 296379718 /nfs/dbraw/zinc/37/97/18/296379718.db2.gz QJGOJQIXLIFGRJ-QMMMGPOBSA-N 1 3 307.182 2.944 20 0 DFADHO CCCN(C)[C@H](CN[C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423111777 296379755 /nfs/dbraw/zinc/37/97/55/296379755.db2.gz WNNZFXHTOBZMNC-SUMWQHHRSA-N 1 3 309.885 2.920 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(-n2cncn2)cc1 ZINC000624120368 399561171 /nfs/dbraw/zinc/56/11/71/399561171.db2.gz XJSQJNSLRLFLSY-JKSUJKDBSA-N 1 3 313.449 2.650 20 0 DFADHO COCCCOc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423114061 296380095 /nfs/dbraw/zinc/38/00/95/296380095.db2.gz ZVGMRBHWJDFUHP-WMZOPIPTSA-N 1 3 306.450 2.709 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC1CC(c2cccc(Cl)c2)C1 ZINC000423113058 296380145 /nfs/dbraw/zinc/38/01/45/296380145.db2.gz YGHIFXGHUUQSSO-DYJSVTOUSA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000423113058 296380147 /nfs/dbraw/zinc/38/01/47/296380147.db2.gz YGHIFXGHUUQSSO-DYJSVTOUSA-N 1 3 308.853 2.928 20 0 DFADHO CO[C@H]1CCCC[C@@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423117448 296380418 /nfs/dbraw/zinc/38/04/18/296380418.db2.gz VOILQYITEMMRJQ-CAMMJAKZSA-N 1 3 316.445 2.790 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000423124931 296381712 /nfs/dbraw/zinc/38/17/12/296381712.db2.gz NAJALRNDODCFMB-SQNIBIBYSA-N 1 3 305.466 2.546 20 0 DFADHO CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2N)N(C)C)cc1 ZINC000423124931 296381714 /nfs/dbraw/zinc/38/17/14/296381714.db2.gz NAJALRNDODCFMB-SQNIBIBYSA-N 1 3 305.466 2.546 20 0 DFADHO CC(C)c1nnc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000423128535 296381777 /nfs/dbraw/zinc/38/17/77/296381777.db2.gz KVWNLMCPFYJGOS-MCIONIFRSA-N 1 3 308.495 2.714 20 0 DFADHO c1ccc2c(c1)CC1(CCOCC1)[C@H]2NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423128043 296381799 /nfs/dbraw/zinc/38/17/99/296381799.db2.gz UTKRXQKQMGAARK-RZRMAFQFSA-N 1 3 312.457 2.953 20 0 DFADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2CN)c(Cl)c1OC ZINC000423133584 296382523 /nfs/dbraw/zinc/38/25/23/296382523.db2.gz KZKOPUKTUNUZSU-QWHCGFSZSA-N 1 3 312.841 2.617 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@H]2C[NH3+])c(Cl)c1OC ZINC000423133584 296382525 /nfs/dbraw/zinc/38/25/25/296382525.db2.gz KZKOPUKTUNUZSU-QWHCGFSZSA-N 1 3 312.841 2.617 20 0 DFADHO COc1ncccc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423141808 296383835 /nfs/dbraw/zinc/38/38/35/296383835.db2.gz RWEZYPVAMYOUPQ-IXDOHACOSA-N 1 3 303.450 2.533 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[NH2+]CC2)c(Cl)c1OC ZINC000423140656 296383978 /nfs/dbraw/zinc/38/39/78/296383978.db2.gz ZAFPMYQQSCRLDM-CYBMUJFWSA-N 1 3 312.841 2.631 20 0 DFADHO C[C@@]1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423139006 296383432 /nfs/dbraw/zinc/38/34/32/296383432.db2.gz UUSFCPAMEGEEDC-OMZCGLGVSA-N 1 3 314.473 2.927 20 0 DFADHO CSc1ccc([C@H](CN[C@H](C)[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000423147636 296384983 /nfs/dbraw/zinc/38/49/83/296384983.db2.gz SLWGFOFHFIALKI-KMFMINBZSA-N 1 3 307.507 2.599 20 0 DFADHO CSc1ccc([C@H](CN[C@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000423144012 296384416 /nfs/dbraw/zinc/38/44/16/296384416.db2.gz FXCGRYHEYWIXPB-PVAVHDDUSA-N 1 3 307.507 2.728 20 0 DFADHO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423145760 296384660 /nfs/dbraw/zinc/38/46/60/296384660.db2.gz MIJWRZPSZQPUTG-CMPLNLGQSA-N 1 3 319.371 2.857 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000423156034 296386126 /nfs/dbraw/zinc/38/61/26/296386126.db2.gz RORCIZWZKDTCFA-JOQOYGCGSA-N 1 3 305.466 2.951 20 0 DFADHO CO[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)Cc1ccccc1 ZINC000423157023 296386224 /nfs/dbraw/zinc/38/62/24/296386224.db2.gz MEZOUAHLFJKKDC-KDOFPFPSSA-N 1 3 313.445 2.757 20 0 DFADHO CC(C)(O)C(C)(C)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423162469 296386839 /nfs/dbraw/zinc/38/68/39/296386839.db2.gz PIWPIVNCEWIGOT-KXBFYZLASA-N 1 3 318.461 2.629 20 0 DFADHO C[N@H+](CCC(=O)NC[C@@H]1CCN1C(C)(C)C)C1CCCCC1 ZINC000617010191 399570402 /nfs/dbraw/zinc/57/04/02/399570402.db2.gz KNLWIRVJPRLZLP-INIZCTEOSA-N 1 3 309.498 2.630 20 0 DFADHO C[N@@H+](CCC(=O)NC[C@@H]1CCN1C(C)(C)C)C1CCCCC1 ZINC000617010191 399570406 /nfs/dbraw/zinc/57/04/06/399570406.db2.gz KNLWIRVJPRLZLP-INIZCTEOSA-N 1 3 309.498 2.630 20 0 DFADHO Cc1cccnc1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423159305 296386545 /nfs/dbraw/zinc/38/65/45/296386545.db2.gz XUJAOGZNRFPHSO-AZUAARDMSA-N 1 3 323.440 2.778 20 0 DFADHO COc1cccc2c1C[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C2 ZINC000423166794 296387408 /nfs/dbraw/zinc/38/74/08/296387408.db2.gz DHEHONSEBMXAHJ-BBRMVZONSA-N 1 3 311.429 2.675 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000423174024 296388245 /nfs/dbraw/zinc/38/82/45/296388245.db2.gz AZWKKBHKXSRZKD-DSLXNQLJSA-N 1 3 320.452 2.802 20 0 DFADHO Brc1cccc2c1C[C@@H]([NH2+]C1CCNCC1)CC2 ZINC000423177396 296388481 /nfs/dbraw/zinc/38/84/81/296388481.db2.gz DUEXIWRWYAGWGM-ZDUSSCGKSA-N 1 3 309.251 2.648 20 0 DFADHO Brc1cccc2c1C[C@@H](NC1CC[NH2+]CC1)CC2 ZINC000423177396 296388482 /nfs/dbraw/zinc/38/84/82/296388482.db2.gz DUEXIWRWYAGWGM-ZDUSSCGKSA-N 1 3 309.251 2.648 20 0 DFADHO CC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](O)C(C)C ZINC000423191947 296390525 /nfs/dbraw/zinc/39/05/25/296390525.db2.gz UFXSPQGGGSSSBT-ISARSNTHSA-N 1 3 318.461 2.627 20 0 DFADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccc(-c2ccccc2)o1 ZINC000423187516 296390086 /nfs/dbraw/zinc/39/00/86/296390086.db2.gz YBEDSMAIFDXLQD-MRXNPFEDSA-N 1 3 313.445 2.893 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]CC1(N)CCCCCC1)CO2 ZINC000423197705 296391593 /nfs/dbraw/zinc/39/15/93/296391593.db2.gz ARVBUFWOCJMLPY-HNNXBMFYSA-N 1 3 304.434 2.640 20 0 DFADHO C[C@H]([NH2+]CC1(N)CCCCCC1)c1ccc(-n2cncn2)cc1 ZINC000423204560 296392143 /nfs/dbraw/zinc/39/21/43/296392143.db2.gz USTNNGVVWOBYSJ-HNNXBMFYSA-N 1 3 313.449 2.970 20 0 DFADHO Cc1c([C@@H](C)NC2CCC([NH3+])CC2)nnn1-c1ccc(C)cc1 ZINC000423209957 296392822 /nfs/dbraw/zinc/39/28/22/296392822.db2.gz FQXMZFQCNBFINE-IUDNXUCKSA-N 1 3 313.449 2.805 20 0 DFADHO Fc1ccccc1[C@H](NCCN1CC[NH2+]CC1)C1CCCC1 ZINC000423200473 296391894 /nfs/dbraw/zinc/39/18/94/296391894.db2.gz FTWLVSHAYHMMBD-GOSISDBHSA-N 1 3 305.441 2.552 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCCNC2)c(C)c1OC ZINC000423212351 296393167 /nfs/dbraw/zinc/39/31/67/296393167.db2.gz IFOYKFCNFATPGB-YSVLISHTSA-N 1 3 320.477 2.921 20 0 DFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC000347805854 285182873 /nfs/dbraw/zinc/18/28/73/285182873.db2.gz CWHUDYNKEPVGKB-HOTGVXAUSA-N 1 3 311.514 2.589 20 0 DFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC000347805854 285182878 /nfs/dbraw/zinc/18/28/78/285182878.db2.gz CWHUDYNKEPVGKB-HOTGVXAUSA-N 1 3 311.514 2.589 20 0 DFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC000347805853 285183092 /nfs/dbraw/zinc/18/30/92/285183092.db2.gz CWHUDYNKEPVGKB-CVEARBPZSA-N 1 3 311.514 2.589 20 0 DFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC000347805853 285183095 /nfs/dbraw/zinc/18/30/95/285183095.db2.gz CWHUDYNKEPVGKB-CVEARBPZSA-N 1 3 311.514 2.589 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NCC[C@@H](C)[NH3+])cc1 ZINC000423226122 296394306 /nfs/dbraw/zinc/39/43/06/296394306.db2.gz PMSCPBOFSGMRHL-KGLIPLIRSA-N 1 3 306.454 2.948 20 0 DFADHO CCCN(C)CC(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000347807027 285183675 /nfs/dbraw/zinc/18/36/75/285183675.db2.gz NBOMHBCZOWUPRK-GOSISDBHSA-N 1 3 319.493 2.601 20 0 DFADHO CCCN(C)CC(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000347807027 285183679 /nfs/dbraw/zinc/18/36/79/285183679.db2.gz NBOMHBCZOWUPRK-GOSISDBHSA-N 1 3 319.493 2.601 20 0 DFADHO COc1cc(F)c([C@H](C)NCC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423258938 296397624 /nfs/dbraw/zinc/39/76/24/296397624.db2.gz NDSZCCIJRNXTGN-STQMWFEESA-N 1 3 310.413 2.883 20 0 DFADHO COc1ccc([C@@H](C)[NH2+][C@@H](CN)CC(C)C)cc1NC(C)=O ZINC000423261253 296398000 /nfs/dbraw/zinc/39/80/00/296398000.db2.gz JGIBFBDUNADZNF-IUODEOHRSA-N 1 3 307.438 2.678 20 0 DFADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1ncc(Br)s1 ZINC000423260959 296398041 /nfs/dbraw/zinc/39/80/41/296398041.db2.gz QYUXHJPWRQRGGL-VHSXEESVSA-N 1 3 318.284 2.946 20 0 DFADHO Cc1ccc(CN2CCCC2)cc1NC(=O)C1CC[NH+](C)CC1 ZINC000156807211 197142149 /nfs/dbraw/zinc/14/21/49/197142149.db2.gz POLLNXFUKGGVCH-UHFFFAOYSA-N 1 3 315.461 2.871 20 0 DFADHO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CC1CNC1 ZINC000423305314 296402627 /nfs/dbraw/zinc/40/26/27/296402627.db2.gz QOQYMKLNYNDKDY-HNNXBMFYSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000423305015 296402644 /nfs/dbraw/zinc/40/26/44/296402644.db2.gz ZYCIFNDUVJUHET-RDTXWAMCSA-N 1 3 311.429 2.739 20 0 DFADHO CC[C@H](CCc1ccc(Br)cc1)[NH2+]CC1CNC1 ZINC000423305315 296402646 /nfs/dbraw/zinc/40/26/46/296402646.db2.gz QOQYMKLNYNDKDY-OAHLLOKOSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1cccc(OCCN(C)C)c1 ZINC000423323025 296404383 /nfs/dbraw/zinc/40/43/83/296404383.db2.gz HXMPDYWSISQFGB-VQIMIIECSA-N 1 3 319.493 2.667 20 0 DFADHO COC[C@H](NCC1=CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423329495 296405143 /nfs/dbraw/zinc/40/51/43/296405143.db2.gz BENGYMQOUWNDMM-HNNXBMFYSA-N 1 3 314.351 2.902 20 0 DFADHO [NH3+]CCCCN[C@H]1CCc2c1c(Br)ccc2F ZINC000423324004 296404505 /nfs/dbraw/zinc/40/45/05/296404505.db2.gz JVVAGFHQADIANM-LBPRGKRZSA-N 1 3 301.203 2.904 20 0 DFADHO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000624221891 399602493 /nfs/dbraw/zinc/60/24/93/399602493.db2.gz KLFVKCVWCWNNOA-POZUXBRTSA-N 1 3 318.461 2.845 20 0 DFADHO Brc1ccc2c(c1)CC[C@H](NC[C@H]1CC[NH2+]C1)C2 ZINC000423347131 296406927 /nfs/dbraw/zinc/40/69/27/296406927.db2.gz QSQIQPCKGVFFBY-NHYWBVRUSA-N 1 3 309.251 2.506 20 0 DFADHO Brc1ccc2c(c1)CC[C@@H](NC[C@H]1CC[NH2+]C1)C2 ZINC000423347132 296407140 /nfs/dbraw/zinc/40/71/40/296407140.db2.gz QSQIQPCKGVFFBY-XHDPSFHLSA-N 1 3 309.251 2.506 20 0 DFADHO Fc1ccc([C@H](C[C@@H]2CCCO2)NCC2=CC[NH2+]CC2)cc1 ZINC000423357317 296408101 /nfs/dbraw/zinc/40/81/01/296408101.db2.gz SFISSELZIMPNAN-ROUUACIJSA-N 1 3 304.409 2.945 20 0 DFADHO COc1cc2nccc(N3CCC[C@H]([NH+](C)C)C3)c2cc1OC ZINC000298135829 533179604 /nfs/dbraw/zinc/17/96/04/533179604.db2.gz COVQDSPOMBAWAL-ZDUSSCGKSA-N 1 3 315.417 2.782 20 0 DFADHO CCN1CCC[C@@H]1C[N@H+](CCN(C)C)CC1(SC)CCC1 ZINC000356313423 285250032 /nfs/dbraw/zinc/25/00/32/285250032.db2.gz YRQVZSNXHVYBDA-MRXNPFEDSA-N 1 3 313.555 2.620 20 0 DFADHO CCN1CCC[C@@H]1C[N@@H+](CCN(C)C)CC1(SC)CCC1 ZINC000356313423 285250039 /nfs/dbraw/zinc/25/00/39/285250039.db2.gz YRQVZSNXHVYBDA-MRXNPFEDSA-N 1 3 313.555 2.620 20 0 DFADHO C[NH+]1CCC2(CCN([C@@H](C(=O)OC(C)(C)C)C3CC3)C2)CC1 ZINC000602877955 399612207 /nfs/dbraw/zinc/61/22/07/399612207.db2.gz MMIUQXLPGSKCAB-OAHLLOKOSA-N 1 3 308.466 2.524 20 0 DFADHO COc1ccc([C@@H]2CCCC[C@@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000423434146 296416547 /nfs/dbraw/zinc/41/65/47/296416547.db2.gz NXNWVRLVXZAUKN-RUKPJNHUSA-N 1 3 304.409 2.668 20 0 DFADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423440752 296417007 /nfs/dbraw/zinc/41/70/07/296417007.db2.gz VZSKEQDZHWDKGM-MUIFIZLQSA-N 1 3 308.853 2.536 20 0 DFADHO COCCC[C@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423479223 296420260 /nfs/dbraw/zinc/42/02/60/296420260.db2.gz USGWLTOIXZPMAQ-QILLFSRXSA-N 1 3 308.441 2.924 20 0 DFADHO COc1ccc(C[N@H+](C)C[C@@H]2CCN(C)C2)cc1OC(F)F ZINC000120659468 195210573 /nfs/dbraw/zinc/21/05/73/195210573.db2.gz PJYKKHIAAQCCTK-CYBMUJFWSA-N 1 3 314.376 2.680 20 0 DFADHO COc1ccc(C[N@@H+](C)C[C@@H]2CCN(C)C2)cc1OC(F)F ZINC000120659468 195210575 /nfs/dbraw/zinc/21/05/75/195210575.db2.gz PJYKKHIAAQCCTK-CYBMUJFWSA-N 1 3 314.376 2.680 20 0 DFADHO Cc1ccc(C[NH+]2CCC(CN3CCN(C)CC3)CC2)c(C)c1 ZINC000289448665 220981848 /nfs/dbraw/zinc/98/18/48/220981848.db2.gz MWZRAWNVSRJPEU-UHFFFAOYSA-N 1 3 315.505 2.763 20 0 DFADHO O[C@@H](CN1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000193078319 285300336 /nfs/dbraw/zinc/30/03/36/285300336.db2.gz LCSOXZHLNXJTFG-SFHVURJKSA-N 1 3 306.425 2.667 20 0 DFADHO CC1(C)CCC(C)(C)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000625723525 399622868 /nfs/dbraw/zinc/62/28/68/399622868.db2.gz RQYMSPOCHKEGAP-UHFFFAOYSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)cc1 ZINC000423651944 296436433 /nfs/dbraw/zinc/43/64/33/296436433.db2.gz MUPIWPBCEKOXIN-LLVKDONJSA-N 1 3 313.376 2.743 20 0 DFADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(-c2ccncc2)cc1 ZINC000629520322 399633884 /nfs/dbraw/zinc/63/38/84/399633884.db2.gz GHOHCWLSWVONKC-HNNXBMFYSA-N 1 3 311.429 2.907 20 0 DFADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000629520263 399634184 /nfs/dbraw/zinc/63/41/84/399634184.db2.gz DWMJIVJNGQVWMF-NSHDSACASA-N 1 3 318.339 2.744 20 0 DFADHO COc1ccc2c(c1)[C@H]([NH2+]CC1(N)CCOCC1)CCCS2 ZINC000629521062 399634255 /nfs/dbraw/zinc/63/42/55/399634255.db2.gz OAJSTVFFNPJRCR-OAHLLOKOSA-N 1 3 322.474 2.720 20 0 DFADHO CC[NH+](CC)CCOc1ccc(CNCc2[nH]ncc2C)cc1 ZINC000289867709 221279471 /nfs/dbraw/zinc/27/94/71/221279471.db2.gz LOKNUWOYFPKCRC-UHFFFAOYSA-N 1 3 316.449 2.729 20 0 DFADHO CC(C)COc1ccc([C@H](C)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629524156 399635363 /nfs/dbraw/zinc/63/53/63/399635363.db2.gz MOYSFVJPLLEKRQ-HNNXBMFYSA-N 1 3 306.450 2.880 20 0 DFADHO CC[C@@H](NCCOCC[NH2+]C)c1ccc(Br)cc1 ZINC000629529333 399636173 /nfs/dbraw/zinc/63/61/73/399636173.db2.gz ZRZXCFYTAYJNGJ-CQSZACIVSA-N 1 3 315.255 2.726 20 0 DFADHO C[NH2+]CCOCCN[C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000629529458 399637908 /nfs/dbraw/zinc/63/79/08/399637908.db2.gz CZEGTUFHHHXJHB-SFHVURJKSA-N 1 3 318.461 2.605 20 0 DFADHO C[C@@H](NCCOCCC[NH3+])c1ccc(Br)s1 ZINC000629540231 399640607 /nfs/dbraw/zinc/64/06/07/399640607.db2.gz ODHGZPLBIZGTBR-SECBINFHSA-N 1 3 307.257 2.527 20 0 DFADHO O[C@H](CN[C@H]1CC[C@H](c2cccc(F)c2)C1)C[NH+]1CCCC1 ZINC000629578932 399654065 /nfs/dbraw/zinc/65/40/65/399654065.db2.gz NUELLEBABQKYQU-RYQLBKOJSA-N 1 3 306.425 2.508 20 0 DFADHO CSc1ccccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629591937 399657925 /nfs/dbraw/zinc/65/79/25/399657925.db2.gz VDTYLQJYSJAXCU-QGZVFWFLSA-N 1 3 320.502 2.999 20 0 DFADHO OCc1ccc(F)c(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000629544623 399642764 /nfs/dbraw/zinc/64/27/64/399642764.db2.gz JRGUAWRWQXMUHO-MRXNPFEDSA-N 1 3 306.425 2.530 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629547011 399644070 /nfs/dbraw/zinc/64/40/70/399644070.db2.gz RNXMENKFQLJPSE-LNSITVRQSA-N 1 3 311.832 2.775 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629547011 399644072 /nfs/dbraw/zinc/64/40/72/399644072.db2.gz RNXMENKFQLJPSE-LNSITVRQSA-N 1 3 311.832 2.775 20 0 DFADHO CN(CCOCC[NH3+])Cc1ccc(-c2ccccc2F)s1 ZINC000629665528 399681697 /nfs/dbraw/zinc/68/16/97/399681697.db2.gz WEAWYHABTHFMIB-UHFFFAOYSA-N 1 3 308.422 2.961 20 0 DFADHO C[N@H+](Cc1cccc(-c2ccc(N3CCNCC3)nc2)c1)C1CC1 ZINC000629709345 399697272 /nfs/dbraw/zinc/69/72/72/399697272.db2.gz ZARXNHXFHCQBCJ-UHFFFAOYSA-N 1 3 322.456 2.752 20 0 DFADHO C[N@@H+](Cc1cccc(-c2ccc(N3CCNCC3)nc2)c1)C1CC1 ZINC000629709345 399697277 /nfs/dbraw/zinc/69/72/77/399697277.db2.gz ZARXNHXFHCQBCJ-UHFFFAOYSA-N 1 3 322.456 2.752 20 0 DFADHO CN(C)Cc1ccc(F)c(-c2cccc(C[C@@H](C[NH3+])CO)c2)c1 ZINC000629736404 399709159 /nfs/dbraw/zinc/70/91/59/399709159.db2.gz GBAWTHIEVLFAMV-INIZCTEOSA-N 1 3 316.420 2.664 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cnc(C)s2)CC1 ZINC000090402652 542535710 /nfs/dbraw/zinc/53/57/10/542535710.db2.gz SJFPHRSVRQLZAY-CQSZACIVSA-N 1 3 310.511 2.520 20 0 DFADHO COC[C@@H](N[C@H](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000091413750 542540677 /nfs/dbraw/zinc/54/06/77/542540677.db2.gz UDDREUAGWCCQHG-SJKOYZFVSA-N 1 3 312.404 2.972 20 0 DFADHO CC1=CC[C@](C)(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000617502567 399718874 /nfs/dbraw/zinc/71/88/74/399718874.db2.gz UVWREVPMBXJLCW-WMZOPIPTSA-N 1 3 309.498 2.511 20 0 DFADHO CC1=CC[C@](C)(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000617502567 399718878 /nfs/dbraw/zinc/71/88/78/399718878.db2.gz UVWREVPMBXJLCW-WMZOPIPTSA-N 1 3 309.498 2.511 20 0 DFADHO OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000295039858 224396940 /nfs/dbraw/zinc/39/69/40/224396940.db2.gz MNVXLULSBYGWQB-SWBPCFCJSA-N 1 3 314.473 2.648 20 0 DFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1 ZINC000617504535 399719974 /nfs/dbraw/zinc/71/99/74/399719974.db2.gz ZZWMOBOBKNGGDO-FUHWJXTLSA-N 1 3 319.493 2.568 20 0 DFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1 ZINC000617504535 399719979 /nfs/dbraw/zinc/71/99/79/399719979.db2.gz ZZWMOBOBKNGGDO-FUHWJXTLSA-N 1 3 319.493 2.568 20 0 DFADHO CN(C)Cc1cccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000348098344 285346926 /nfs/dbraw/zinc/34/69/26/285346926.db2.gz ARUNVVHFLZOQEK-LSDHHAIUSA-N 1 3 316.367 2.948 20 0 DFADHO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000348110519 285355574 /nfs/dbraw/zinc/35/55/74/285355574.db2.gz NDWIOEZDDNZXHO-DNVCBOLYSA-N 1 3 302.462 2.922 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348115503 285359132 /nfs/dbraw/zinc/35/91/32/285359132.db2.gz HVPPBCLFNLSXPJ-MGPQQGTHSA-N 1 3 308.388 2.806 20 0 DFADHO CN(C)C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423768787 296445475 /nfs/dbraw/zinc/44/54/75/296445475.db2.gz FRNULFFAIMRSIO-HOTGVXAUSA-N 1 3 323.868 2.591 20 0 DFADHO CCC[C@@H](CC)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000125908644 195794390 /nfs/dbraw/zinc/79/43/90/195794390.db2.gz RPXJHKANKRKUMJ-QGZVFWFLSA-N 1 3 305.466 2.646 20 0 DFADHO C[C@@H](NC1CC1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000294684924 533336390 /nfs/dbraw/zinc/33/63/90/533336390.db2.gz AFCWDNDCMGHODJ-CQSZACIVSA-N 1 3 301.434 2.752 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121031539 542581712 /nfs/dbraw/zinc/58/17/12/542581712.db2.gz TWNZUBIHPLEVRT-SFHVURJKSA-N 1 3 323.431 2.568 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121055525 542582558 /nfs/dbraw/zinc/58/25/58/542582558.db2.gz SNAMXIPTPMVRQH-SFHVURJKSA-N 1 3 323.431 2.569 20 0 DFADHO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc(OCCN(C)C)c1 ZINC000121379596 542584605 /nfs/dbraw/zinc/58/46/05/542584605.db2.gz BLLOVNKCNNAGKD-XYJFISCASA-N 1 3 320.477 2.829 20 0 DFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CN(C)C1CCC1 ZINC000629956973 399769220 /nfs/dbraw/zinc/76/92/20/399769220.db2.gz OSOFEKFYAWAZTD-UHFFFAOYSA-N 1 3 317.477 2.581 20 0 DFADHO Cc1nc2ccccc2n1CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000165984833 542749776 /nfs/dbraw/zinc/74/97/76/542749776.db2.gz ZWVREICJEOJFQJ-DLBZAZTESA-N 1 3 312.461 2.951 20 0 DFADHO Cc1nc2ccccc2n1CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000165984833 542749777 /nfs/dbraw/zinc/74/97/77/542749777.db2.gz ZWVREICJEOJFQJ-DLBZAZTESA-N 1 3 312.461 2.951 20 0 DFADHO Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000165984833 542749782 /nfs/dbraw/zinc/74/97/82/542749782.db2.gz ZWVREICJEOJFQJ-DLBZAZTESA-N 1 3 312.461 2.951 20 0 DFADHO c1ccc(CCOCCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166234939 542749829 /nfs/dbraw/zinc/74/98/29/542749829.db2.gz ZKGXFBCVNYCIGR-RBUKOAKNSA-N 1 3 302.462 2.852 20 0 DFADHO c1ccc(CCOCCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166234939 542749833 /nfs/dbraw/zinc/74/98/33/542749833.db2.gz ZKGXFBCVNYCIGR-RBUKOAKNSA-N 1 3 302.462 2.852 20 0 DFADHO COc1ccc(CCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000166325780 542751035 /nfs/dbraw/zinc/75/10/35/542751035.db2.gz LIZDMCSWEQLGCI-DLBZAZTESA-N 1 3 318.461 2.853 20 0 DFADHO COc1ccc(CCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000166325780 542751039 /nfs/dbraw/zinc/75/10/39/542751039.db2.gz LIZDMCSWEQLGCI-DLBZAZTESA-N 1 3 318.461 2.853 20 0 DFADHO CCC[C@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000168662022 542754137 /nfs/dbraw/zinc/75/41/37/542754137.db2.gz ILQWOMWFCIDBRR-RDJZCZTQSA-N 1 3 317.477 2.894 20 0 DFADHO CN1CCC[C@H](CNC(=O)CC2([NH3+])CCC2)[C@@H]1c1cccs1 ZINC000237123364 542900995 /nfs/dbraw/zinc/90/09/95/542900995.db2.gz OUCZWOIKBNKDKJ-CZUORRHYSA-N 1 3 321.490 2.519 20 0 DFADHO CNCc1cccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)c1 ZINC000237248929 542901662 /nfs/dbraw/zinc/90/16/62/542901662.db2.gz GZUYMJDWDBYRSP-UHFFFAOYSA-N 1 3 323.440 2.666 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000280146971 542987021 /nfs/dbraw/zinc/98/70/21/542987021.db2.gz PZRDBPIOYLCVKJ-XJKSGUPXSA-N 1 3 304.434 2.623 20 0 DFADHO O[C@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)CN1CCCC1 ZINC000289333064 543007097 /nfs/dbraw/zinc/00/70/97/543007097.db2.gz VWPIAPFMTFFEKP-RDTXWAMCSA-N 1 3 313.445 2.592 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000293774013 543022123 /nfs/dbraw/zinc/02/21/23/543022123.db2.gz SKJKDWJGPQGKJM-JSGCOSHPSA-N 1 3 315.383 2.963 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000293774013 543022125 /nfs/dbraw/zinc/02/21/25/543022125.db2.gz SKJKDWJGPQGKJM-JSGCOSHPSA-N 1 3 315.383 2.963 20 0 DFADHO COc1ccccc1N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000321056191 543083775 /nfs/dbraw/zinc/08/37/75/543083775.db2.gz XAIWUWYLAPQCFC-UHFFFAOYSA-N 1 3 317.477 2.597 20 0 DFADHO CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000321734392 543086644 /nfs/dbraw/zinc/08/66/44/543086644.db2.gz YJGSXHHOXMCOBL-HNNXBMFYSA-N 1 3 321.465 2.577 20 0 DFADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000339072325 543139706 /nfs/dbraw/zinc/13/97/06/543139706.db2.gz WKAFWRKEDBBEJF-UXPWSPDFSA-N 1 3 313.489 2.650 20 0 DFADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000339072325 543139708 /nfs/dbraw/zinc/13/97/08/543139708.db2.gz WKAFWRKEDBBEJF-UXPWSPDFSA-N 1 3 313.489 2.650 20 0 DFADHO CCN(C[C@@H]1CCCO1)[C@@H](C)CC[N@H+](CC)C[C@H]1CCCO1 ZINC000343606526 543168305 /nfs/dbraw/zinc/16/83/05/543168305.db2.gz XLNKJEYRXOCXPH-KSZLIROESA-N 1 3 312.498 2.767 20 0 DFADHO CCN(C[C@@H]1CCCO1)[C@@H](C)CC[N@@H+](CC)C[C@H]1CCCO1 ZINC000343606526 543168308 /nfs/dbraw/zinc/16/83/08/543168308.db2.gz XLNKJEYRXOCXPH-KSZLIROESA-N 1 3 312.498 2.767 20 0 DFADHO OC1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000348128951 543183456 /nfs/dbraw/zinc/18/34/56/543183456.db2.gz WRFBOBPNQDYJHR-UXHICEINSA-N 1 3 314.473 2.922 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C(C)(C)N)cc2)C1 ZINC000164837840 145226203 /nfs/dbraw/zinc/22/62/03/145226203.db2.gz YJJNWOCJBSSGCN-HUUCEWRRSA-N 1 3 317.477 2.518 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1c(C)nn(CC)c1C ZINC000166033987 145232617 /nfs/dbraw/zinc/23/26/17/145232617.db2.gz VEFGIVWPJUOAIZ-CJNGLKHVSA-N 1 3 310.486 2.527 20 0 DFADHO O[C@@H]1[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCCC1(F)F ZINC000414291677 543324969 /nfs/dbraw/zinc/32/49/69/543324969.db2.gz AJPFLGNBGGNAHO-JKSUJKDBSA-N 1 3 316.436 2.922 20 0 DFADHO NCCC[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000415122976 543329193 /nfs/dbraw/zinc/32/91/93/543329193.db2.gz OUWJNTXVFNHDLA-UHFFFAOYSA-N 1 3 316.276 2.896 20 0 DFADHO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)o1 ZINC000175008557 145396232 /nfs/dbraw/zinc/39/62/32/145396232.db2.gz LPGSMGLMAPJEMN-HUUCEWRRSA-N 1 3 302.422 2.941 20 0 DFADHO CCOc1cc2nccc(N3C[C@@H]([NH3+])C[C@H]3C)c2cc1OCC ZINC000630559012 399903218 /nfs/dbraw/zinc/90/32/18/399903218.db2.gz NUNIVHOOTGOWFD-OLZOCXBDSA-N 1 3 315.417 2.958 20 0 DFADHO CCCN1CCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633953986 399964868 /nfs/dbraw/zinc/96/48/68/399964868.db2.gz UXWKRHYMRGWKCA-KRWDZBQOSA-N 1 3 321.509 2.728 20 0 DFADHO COc1ccccc1N1CCC([NH2+]CCCN2CCCC2)CC1 ZINC000631036025 399966531 /nfs/dbraw/zinc/96/65/31/399966531.db2.gz SPHBHIRTYIKQKI-UHFFFAOYSA-N 1 3 317.477 2.740 20 0 DFADHO CC[C@H]1CCCC[C@H]1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000628121070 399987736 /nfs/dbraw/zinc/98/77/36/399987736.db2.gz PXAPDKPDMVMGCE-OALUTQOASA-N 1 3 307.526 2.916 20 0 DFADHO COc1cc(F)cc(OC)c1CNCCCC[N@H+](C)C1CC1 ZINC000631154859 399991677 /nfs/dbraw/zinc/99/16/77/399991677.db2.gz IWPZWDBVRHABDM-UHFFFAOYSA-N 1 3 310.413 2.807 20 0 DFADHO COc1cc(F)cc(OC)c1CNCCCC[N@@H+](C)C1CC1 ZINC000631154859 399991679 /nfs/dbraw/zinc/99/16/79/399991679.db2.gz IWPZWDBVRHABDM-UHFFFAOYSA-N 1 3 310.413 2.807 20 0 DFADHO Cc1ccc([C@@H](C)C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000628214883 400003013 /nfs/dbraw/zinc/00/30/13/400003013.db2.gz QIYPKZNECNFXPH-PKOBYXMFSA-N 1 3 315.505 2.857 20 0 DFADHO C[C@@H]1C[N@H+](CCCN[C@@H]2CCCc3ncccc32)CCCO1 ZINC000631621722 400058899 /nfs/dbraw/zinc/05/88/99/400058899.db2.gz JSTFLYLUDQQZFX-CRAIPNDOSA-N 1 3 303.450 2.550 20 0 DFADHO C[C@@H]1C[N@@H+](CCCN[C@@H]2CCCc3ncccc32)CCCO1 ZINC000631621722 400058901 /nfs/dbraw/zinc/05/89/01/400058901.db2.gz JSTFLYLUDQQZFX-CRAIPNDOSA-N 1 3 303.450 2.550 20 0 DFADHO CCC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(C)ccn1 ZINC000631625716 400059514 /nfs/dbraw/zinc/05/95/14/400059514.db2.gz QBKJBVSBQFNSMO-QGZVFWFLSA-N 1 3 318.509 2.847 20 0 DFADHO C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CCCN(CC2CC2)C1 ZINC000631647252 400061643 /nfs/dbraw/zinc/06/16/43/400061643.db2.gz GBFCVNKMYJCEPZ-XSLAGTTESA-N 1 3 304.478 2.656 20 0 DFADHO c1cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c2c(c1)COCC2 ZINC000631827662 400078185 /nfs/dbraw/zinc/07/81/85/400078185.db2.gz UFGVPWYRPBLJQC-BEFAXECRSA-N 1 3 300.446 2.723 20 0 DFADHO CCCC[C@@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000236704241 146024848 /nfs/dbraw/zinc/02/48/48/146024848.db2.gz NXVUFTUTPYKRQA-QGZVFWFLSA-N 1 3 309.498 2.619 20 0 DFADHO CCCC[C@@H](N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000236748150 146025478 /nfs/dbraw/zinc/02/54/78/146025478.db2.gz RRXKFJYCNRIYSC-NVXWUHKLSA-N 1 3 305.466 2.531 20 0 DFADHO CCCC[C@@H](N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236748150 146025481 /nfs/dbraw/zinc/02/54/81/146025481.db2.gz RRXKFJYCNRIYSC-NVXWUHKLSA-N 1 3 305.466 2.531 20 0 DFADHO CCCC[C@@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000236737344 146025895 /nfs/dbraw/zinc/02/58/95/146025895.db2.gz FJIHXHYSUQXIMB-MRXNPFEDSA-N 1 3 323.506 2.594 20 0 DFADHO CCCC[C@@H](N)C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000236756608 146026187 /nfs/dbraw/zinc/02/61/87/146026187.db2.gz KYQLCTYKHGHUJE-IAGOWNOFSA-N 1 3 305.466 2.703 20 0 DFADHO CCCC[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236778774 146026655 /nfs/dbraw/zinc/02/66/55/146026655.db2.gz YMTKZYBRBPWSTR-GOSISDBHSA-N 1 3 317.477 2.806 20 0 DFADHO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1cccc(OCCN(C)C)c1 ZINC000252010023 146220636 /nfs/dbraw/zinc/22/06/36/146220636.db2.gz XMZSJVGRZLZCBZ-FZDIXFNVSA-N 1 3 318.461 2.845 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000252696311 146222022 /nfs/dbraw/zinc/22/20/22/146222022.db2.gz ZHOBZMBTBPTZHD-KVSKMBFKSA-N 1 3 320.477 2.829 20 0 DFADHO c1ccc(N2CCC(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000261668885 146256710 /nfs/dbraw/zinc/25/67/10/146256710.db2.gz GZRYCBJSEPRLJN-FGTMMUONSA-N 1 3 314.477 2.561 20 0 DFADHO CCC[C@](C)(N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000261668944 146257258 /nfs/dbraw/zinc/25/72/58/146257258.db2.gz HALKGZKMTGVCRC-IBGZPJMESA-N 1 3 317.477 2.806 20 0 DFADHO C[NH2+]CCC1CCN(CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000261754715 146270732 /nfs/dbraw/zinc/27/07/32/146270732.db2.gz PIIRJOVCIFEJPQ-INIZCTEOSA-N 1 3 317.477 2.528 20 0 DFADHO Cc1nc2ccccc2n1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000261818065 146281746 /nfs/dbraw/zinc/28/17/46/146281746.db2.gz WJGNDXBQYHBUPG-BBWFWOEESA-N 1 3 312.461 2.855 20 0 DFADHO COc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1OC(F)F ZINC000261819509 146283220 /nfs/dbraw/zinc/28/32/20/146283220.db2.gz AORVFFOCXZEBIA-LLVKDONJSA-N 1 3 314.376 2.856 20 0 DFADHO Cc1ccc2c(CN3CCC[C@@H](CC[NH3+])C3)cc(=O)oc2c1 ZINC000261916826 146301380 /nfs/dbraw/zinc/30/13/80/146301380.db2.gz HCRBHJBBJWEFQX-AWEZNQCLSA-N 1 3 300.402 2.662 20 0 DFADHO Cc1ccc2c(CN3CCC([C@@H](C)[NH3+])CC3)cc(=O)oc2c1 ZINC000261924910 146302440 /nfs/dbraw/zinc/30/24/40/146302440.db2.gz ILAVRXCIWBMOOY-CYBMUJFWSA-N 1 3 300.402 2.661 20 0 DFADHO CC[C@H](c1ccc(Cl)cc1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261946202 146307727 /nfs/dbraw/zinc/30/77/27/146307727.db2.gz MFQWVIPFPBEPIM-GOEBONIOSA-N 1 3 323.868 2.578 20 0 DFADHO C[NH2+]CCC1CCN(Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000262046676 146327263 /nfs/dbraw/zinc/32/72/63/146327263.db2.gz ZCUBCQLYTJMXGC-UHFFFAOYSA-N 1 3 318.490 2.970 20 0 DFADHO CCOc1ccccc1OCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262305289 146350222 /nfs/dbraw/zinc/35/02/22/146350222.db2.gz OZXWFJQVSKTYQQ-HRCADAONSA-N 1 3 304.434 2.523 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3cccc(Cl)c3)C[C@H]21 ZINC000262344632 146352652 /nfs/dbraw/zinc/35/26/52/146352652.db2.gz UPQNJXWBOZWNJV-DAXOMENPSA-N 1 3 321.852 2.728 20 0 DFADHO C[C@H]1CC[C@H](C)N1CC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000355407919 147303749 /nfs/dbraw/zinc/30/37/49/147303749.db2.gz DCLWNHYKLSYKOK-HOTGVXAUSA-N 1 3 309.498 2.582 20 0 DFADHO C[C@H]1CC[C@H](C)N1CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000355407919 147303752 /nfs/dbraw/zinc/30/37/52/147303752.db2.gz DCLWNHYKLSYKOK-HOTGVXAUSA-N 1 3 309.498 2.582 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000355407920 147304183 /nfs/dbraw/zinc/30/41/83/147304183.db2.gz DCLWNHYKLSYKOK-HZPDHXFCSA-N 1 3 309.498 2.582 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000355407920 147304186 /nfs/dbraw/zinc/30/41/86/147304186.db2.gz DCLWNHYKLSYKOK-HZPDHXFCSA-N 1 3 309.498 2.582 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C12CCOCC2 ZINC000357847657 148147711 /nfs/dbraw/zinc/14/77/11/148147711.db2.gz JNLBXJCVCWEVOI-IAGOWNOFSA-N 1 3 324.509 2.672 20 0 DFADHO CCO[C@@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)C12CCOCC2 ZINC000357847657 148147715 /nfs/dbraw/zinc/14/77/15/148147715.db2.gz JNLBXJCVCWEVOI-IAGOWNOFSA-N 1 3 324.509 2.672 20 0 DFADHO CCC[C@H](C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C)N(C)C ZINC000357853611 148150457 /nfs/dbraw/zinc/15/04/57/148150457.db2.gz CBYABDOPSWIPTI-CGTJXYLNSA-N 1 3 319.493 2.833 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCOc2cccc(C)c2)C1 ZINC000350229318 286020164 /nfs/dbraw/zinc/02/01/64/286020164.db2.gz YQLZHKHWTKEDRU-LJQANCHMSA-N 1 3 320.477 2.807 20 0 DFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)s1 ZINC000621335783 543482949 /nfs/dbraw/zinc/48/29/49/543482949.db2.gz ZABKVKJTQBSJLX-HNNXBMFYSA-N 1 3 321.534 2.959 20 0 DFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)s1 ZINC000621335784 543483052 /nfs/dbraw/zinc/48/30/52/543483052.db2.gz ZABKVKJTQBSJLX-OAHLLOKOSA-N 1 3 321.534 2.959 20 0 DFADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCC(C(N)=O)CC3)CC2)C1 ZINC000358185310 148276813 /nfs/dbraw/zinc/27/68/13/148276813.db2.gz YHKLISFTWMQEJC-MMIPBJDJSA-N 1 3 321.509 2.663 20 0 DFADHO CC(C)C[C@H]1C[C@H](NCc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425894413 296603336 /nfs/dbraw/zinc/60/33/36/296603336.db2.gz GLIKTEVPGNMMGX-CVEARBPZSA-N 1 3 321.465 2.825 20 0 DFADHO Fc1cc(F)cc(CCNCc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425898954 296603356 /nfs/dbraw/zinc/60/33/56/296603356.db2.gz JZVLLXLJSCPMJJ-UHFFFAOYSA-N 1 3 321.371 2.752 20 0 DFADHO O=C(CC[NH2+]C1CCN(C2CCCCC2)CC1)N1CCCCC1 ZINC000358232331 148295770 /nfs/dbraw/zinc/29/57/70/148295770.db2.gz BPZKAABHTMLOGG-UHFFFAOYSA-N 1 3 321.509 2.776 20 0 DFADHO CC(C)N(C(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358503884 148380464 /nfs/dbraw/zinc/38/04/64/148380464.db2.gz HFYKPOHYSVGUBO-UHFFFAOYSA-N 1 3 315.461 2.504 20 0 DFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N(CC)CC ZINC000359788168 148752552 /nfs/dbraw/zinc/75/25/52/148752552.db2.gz DNZKUGUNDDWFKO-IRXDYDNUSA-N 1 3 309.498 2.584 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@H]3CCC[C@@H]([NH3+])C3)n2)cc1 ZINC000350723902 286077704 /nfs/dbraw/zinc/07/77/04/286077704.db2.gz FXYAMJZSKRSSBJ-LSDHHAIUSA-N 1 3 300.406 2.783 20 0 DFADHO CCC[C@@H](CC)[NH2+]Cc1c(C)nn(C)c1N1CCCN(C)CC1 ZINC000361027104 149012896 /nfs/dbraw/zinc/01/28/96/149012896.db2.gz DGWCDNWNRXBSME-MRXNPFEDSA-N 1 3 321.513 2.539 20 0 DFADHO FC(F)(F)OCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000361458246 149120650 /nfs/dbraw/zinc/12/06/50/149120650.db2.gz FSWZSSLNHXTFAO-UHFFFAOYSA-N 1 3 316.367 2.820 20 0 DFADHO CCC[C@@](C)([NH3+])C(=O)NC1CCN(Cc2cccc(C)c2)CC1 ZINC000361717837 149200249 /nfs/dbraw/zinc/20/02/49/149200249.db2.gz JAFPDRRYACJMOQ-LJQANCHMSA-N 1 3 317.477 2.593 20 0 DFADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000361763745 149213370 /nfs/dbraw/zinc/21/33/70/149213370.db2.gz FWUCONMAEXGCKM-BQFCYCMXSA-N 1 3 317.477 2.657 20 0 DFADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000361763745 149213373 /nfs/dbraw/zinc/21/33/73/149213373.db2.gz FWUCONMAEXGCKM-BQFCYCMXSA-N 1 3 317.477 2.657 20 0 DFADHO Cc1ccc(C[C@H]([NH2+]CC2(O)CCN(C)CC2)C(C)C)cc1 ZINC000361888996 149247111 /nfs/dbraw/zinc/24/71/11/149247111.db2.gz NERLFLLTUHTLNK-SFHVURJKSA-N 1 3 304.478 2.608 20 0 DFADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000362624086 149326375 /nfs/dbraw/zinc/32/63/75/149326375.db2.gz QXUIGHBQFVFYSC-AEFFLSMTSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CC2CCN(C)CC2)C1 ZINC000362669180 149338692 /nfs/dbraw/zinc/33/86/92/149338692.db2.gz UHTKWDQGAIPKMM-JFIYKMOQSA-N 1 3 321.509 2.582 20 0 DFADHO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)s1 ZINC000362703051 149345705 /nfs/dbraw/zinc/34/57/05/149345705.db2.gz PEKNECFFUDHLNB-KSSFIOAISA-N 1 3 321.534 2.823 20 0 DFADHO c1ccc(OCC2CC[NH+](CCCN3CCCC3)CC2)nc1 ZINC000362731677 149353299 /nfs/dbraw/zinc/35/32/99/149353299.db2.gz TZBCGEREDAHBPE-UHFFFAOYSA-N 1 3 303.450 2.658 20 0 DFADHO CN1CCCC[C@H]1CC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000351422004 286126026 /nfs/dbraw/zinc/12/60/26/286126026.db2.gz TYDNTJCLXIPCOG-INIZCTEOSA-N 1 3 303.450 2.799 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OCc4ccncc4)cc3)C[C@@H]12 ZINC000351472898 286129056 /nfs/dbraw/zinc/12/90/56/286129056.db2.gz BSZYQOKCXGUDMX-MISYRCLQSA-N 1 3 323.440 2.830 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3ccccc3C(F)(F)F)C[C@H]12 ZINC000351475821 286129332 /nfs/dbraw/zinc/12/93/32/286129332.db2.gz JKIQXZDGTSQEQN-MBNYWOFBSA-N 1 3 314.351 2.753 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OCc4cccnc4)cc3)C[C@@H]12 ZINC000351480899 286131151 /nfs/dbraw/zinc/13/11/51/286131151.db2.gz WGJADRQAQBNMIC-MISYRCLQSA-N 1 3 323.440 2.830 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OCc4cccnc4)cc3)C[C@H]12 ZINC000351480901 286131163 /nfs/dbraw/zinc/13/11/63/286131163.db2.gz WGJADRQAQBNMIC-YZGWKJHDSA-N 1 3 323.440 2.830 20 0 DFADHO COc1cc([C@H](C)NCCOCC[NH+](C)C)ccc1SC ZINC000351501041 286137134 /nfs/dbraw/zinc/13/71/34/286137134.db2.gz HZPPNMGBFYHUHL-ZDUSSCGKSA-N 1 3 312.479 2.646 20 0 DFADHO COc1ccc(Cl)cc1[C@@H](C)NCCOCC[NH+](C)C ZINC000351502871 286137746 /nfs/dbraw/zinc/13/77/46/286137746.db2.gz NPEOTYVIKIIDAX-GFCCVEGCSA-N 1 3 300.830 2.577 20 0 DFADHO C[N@H+](C[C@@H](O)CN1CC[C@@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538086 286146894 /nfs/dbraw/zinc/14/68/94/286146894.db2.gz QUQLYGDKESMQFU-WOJBJXKFSA-N 1 3 316.489 2.786 20 0 DFADHO C[N@@H+](C[C@@H](O)CN1CC[C@@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538086 286146897 /nfs/dbraw/zinc/14/68/97/286146897.db2.gz QUQLYGDKESMQFU-WOJBJXKFSA-N 1 3 316.489 2.786 20 0 DFADHO C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000370688280 149966679 /nfs/dbraw/zinc/96/66/79/149966679.db2.gz FYCQFESFTCJVSN-RDJZCZTQSA-N 1 3 319.468 2.515 20 0 DFADHO CCCC[C@H](CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000371474836 150052760 /nfs/dbraw/zinc/05/27/60/150052760.db2.gz MQRQFKGLUNTGMC-INIZCTEOSA-N 1 3 323.525 2.878 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000371727768 150087685 /nfs/dbraw/zinc/08/76/85/150087685.db2.gz LSZQNDAYFOPQKH-DOMZBBRYSA-N 1 3 305.397 2.531 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000371879688 150108383 /nfs/dbraw/zinc/10/83/83/150108383.db2.gz JYQFKQQGLIZVAK-DLBZAZTESA-N 1 3 315.461 2.870 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000371879688 150108387 /nfs/dbraw/zinc/10/83/87/150108387.db2.gz JYQFKQQGLIZVAK-DLBZAZTESA-N 1 3 315.461 2.870 20 0 DFADHO C[N@@H+](Cc1ccc(F)nc1)CC1CCN(c2ccncc2)CC1 ZINC000372903965 150199557 /nfs/dbraw/zinc/19/95/57/150199557.db2.gz IZJSIONLWYDHDP-UHFFFAOYSA-N 1 3 314.408 2.964 20 0 DFADHO C[N@H+](Cc1ccc(F)nc1)CC1CCN(c2ccncc2)CC1 ZINC000372903965 150199559 /nfs/dbraw/zinc/19/95/59/150199559.db2.gz IZJSIONLWYDHDP-UHFFFAOYSA-N 1 3 314.408 2.964 20 0 DFADHO CC[C@@H](C)NC(=[NH2+])NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000374006040 150291499 /nfs/dbraw/zinc/29/14/99/150291499.db2.gz ODZCXUIKYYGASA-CRAIPNDOSA-N 1 3 302.466 2.811 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000351686744 286193336 /nfs/dbraw/zinc/19/33/36/286193336.db2.gz LIWTXXNEYNUCHS-MRXNPFEDSA-N 1 3 312.461 2.861 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000351686744 286193338 /nfs/dbraw/zinc/19/33/38/286193338.db2.gz LIWTXXNEYNUCHS-MRXNPFEDSA-N 1 3 312.461 2.861 20 0 DFADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(NC(C)=O)CC1 ZINC000427720475 296665700 /nfs/dbraw/zinc/66/57/00/296665700.db2.gz NFRNKXVRKIBUMO-UGXKVIGPSA-N 1 3 323.525 2.924 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000352156355 286307331 /nfs/dbraw/zinc/30/73/31/286307331.db2.gz JIZGCWPWYQQXQQ-JKSUJKDBSA-N 1 3 311.514 2.780 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000352411798 286366671 /nfs/dbraw/zinc/36/66/71/286366671.db2.gz YXYPZCLWAZIMLL-HZPDHXFCSA-N 1 3 321.509 2.773 20 0 DFADHO CSc1ccccc1NC(=O)CCN1CCCC[C@@H]1CC[NH3+] ZINC000352488451 286386183 /nfs/dbraw/zinc/38/61/83/286386183.db2.gz QJOUKXWKXLUCKA-CQSZACIVSA-N 1 3 321.490 2.940 20 0 DFADHO NCCC[N@H+](CCC(=O)Nc1ccccc1)CC1CCCC1 ZINC000352487327 286386019 /nfs/dbraw/zinc/38/60/19/286386019.db2.gz CUXOFMMTYILHLA-UHFFFAOYSA-N 1 3 303.450 2.856 20 0 DFADHO NCCC[N@@H+](CCC(=O)Nc1ccccc1)CC1CCCC1 ZINC000352487327 286386020 /nfs/dbraw/zinc/38/60/20/286386020.db2.gz CUXOFMMTYILHLA-UHFFFAOYSA-N 1 3 303.450 2.856 20 0 DFADHO [NH3+]CCCN(CCC(=O)Nc1ccccc1)CC1CCCC1 ZINC000352487327 286386021 /nfs/dbraw/zinc/38/60/21/286386021.db2.gz CUXOFMMTYILHLA-UHFFFAOYSA-N 1 3 303.450 2.856 20 0 DFADHO CCC[C@@H](NC(C)C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000353160282 286566791 /nfs/dbraw/zinc/56/67/91/286566791.db2.gz YBINRXNSWXBBJM-QGZVFWFLSA-N 1 3 305.466 2.896 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2nc3cc(F)ccc3n2C)[C@@H](C)C1 ZINC000246491302 158093975 /nfs/dbraw/zinc/09/39/75/158093975.db2.gz RXXVIEMKHJKTKI-DZGCQCFKSA-N 1 3 318.440 2.575 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2nc3cc(F)ccc3n2C)[C@@H](C)C1 ZINC000246491302 158093977 /nfs/dbraw/zinc/09/39/77/158093977.db2.gz RXXVIEMKHJKTKI-DZGCQCFKSA-N 1 3 318.440 2.575 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ncccc3Cl)C2)[C@@H](C)C1 ZINC000246945517 158107180 /nfs/dbraw/zinc/10/71/80/158107180.db2.gz HDJSGZZQANSSOY-LZWOXQAQSA-N 1 3 322.884 2.634 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ncccc3Cl)C2)[C@@H](C)C1 ZINC000246945517 158107181 /nfs/dbraw/zinc/10/71/81/158107181.db2.gz HDJSGZZQANSSOY-LZWOXQAQSA-N 1 3 322.884 2.634 20 0 DFADHO CCc1ccc([C@H](C[NH2+][C@H]2CCN(C)[C@@H](C)C2)N(C)C)cc1 ZINC000247971030 158155682 /nfs/dbraw/zinc/15/56/82/158155682.db2.gz JJVUHZVLMHHSTC-SNRMKQJTSA-N 1 3 303.494 2.924 20 0 DFADHO CCc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000247971030 158155684 /nfs/dbraw/zinc/15/56/84/158155684.db2.gz JJVUHZVLMHHSTC-SNRMKQJTSA-N 1 3 303.494 2.924 20 0 DFADHO CCc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000247971030 158155686 /nfs/dbraw/zinc/15/56/86/158155686.db2.gz JJVUHZVLMHHSTC-SNRMKQJTSA-N 1 3 303.494 2.924 20 0 DFADHO CCN(CC)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000248041316 158158970 /nfs/dbraw/zinc/15/89/70/158158970.db2.gz SZDBTQHVQTZINZ-IEBWSBKVSA-N 1 3 318.509 2.614 20 0 DFADHO C[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248406452 158173771 /nfs/dbraw/zinc/17/37/71/158173771.db2.gz SJVOZGCFDJLRJE-JCHJZTRSSA-N 1 3 302.462 2.648 20 0 DFADHO COCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248418753 158174829 /nfs/dbraw/zinc/17/48/29/158174829.db2.gz TWIBGGAABZRWFV-JCHJZTRSSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248420521 158175313 /nfs/dbraw/zinc/17/53/13/158175313.db2.gz XCVPNHCBSZQBKS-NCXUSEDFSA-N 1 3 302.462 2.912 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000248440378 158176438 /nfs/dbraw/zinc/17/64/38/158176438.db2.gz JJWQNOBJTIOSEJ-QFBILLFUSA-N 1 3 300.446 2.699 20 0 DFADHO OCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCC1 ZINC000248446490 158177280 /nfs/dbraw/zinc/17/72/80/158177280.db2.gz COZZQGNWKIMAEB-CEXWTWQISA-N 1 3 314.473 2.649 20 0 DFADHO CN(CCN1CC[C@@H](C[NH+]2CCCC2)C1)Cc1ccc(F)cc1 ZINC000248612800 158189394 /nfs/dbraw/zinc/18/93/94/158189394.db2.gz YBFRFTKTVMKSFK-SFHVURJKSA-N 1 3 319.468 2.675 20 0 DFADHO C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000248827400 158202608 /nfs/dbraw/zinc/20/26/08/158202608.db2.gz DGNUVCQUAIFKPL-QRQLOZEOSA-N 1 3 302.462 2.566 20 0 DFADHO CCN1CCN([C@H](C)CNc2cc(C)[nH+]c3ccccc23)CC1 ZINC000301563930 158220058 /nfs/dbraw/zinc/22/00/58/158220058.db2.gz YPRLMOIXCJGLCC-MRXNPFEDSA-N 1 3 312.461 2.981 20 0 DFADHO C[C@H](C1CCC1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000355067703 158266510 /nfs/dbraw/zinc/26/65/10/158266510.db2.gz YBHHTWDDCLYDAF-QAPCUYQASA-N 1 3 317.477 2.526 20 0 DFADHO C[C@H](C1CCC1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000355067703 158266512 /nfs/dbraw/zinc/26/65/12/158266512.db2.gz YBHHTWDDCLYDAF-QAPCUYQASA-N 1 3 317.477 2.526 20 0 DFADHO C[C@H](c1ccc(F)cc1)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000355072345 158267786 /nfs/dbraw/zinc/26/77/86/158267786.db2.gz RLUUREFUDQDOTB-HZPDHXFCSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@H](c1ccc(F)cc1)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000355072345 158267790 /nfs/dbraw/zinc/26/77/90/158267790.db2.gz RLUUREFUDQDOTB-HZPDHXFCSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@H](c1ccc(F)cc1)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355072345 158267792 /nfs/dbraw/zinc/26/77/92/158267792.db2.gz RLUUREFUDQDOTB-HZPDHXFCSA-N 1 3 319.468 2.987 20 0 DFADHO CCCN(CCN1CCCCCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000356641588 158304738 /nfs/dbraw/zinc/30/47/38/158304738.db2.gz ITAXFRNFZWZFER-ROUUACIJSA-N 1 3 323.525 2.831 20 0 DFADHO CCCN(CCN1CCCCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000356641588 158304739 /nfs/dbraw/zinc/30/47/39/158304739.db2.gz ITAXFRNFZWZFER-ROUUACIJSA-N 1 3 323.525 2.831 20 0 DFADHO COc1ccc(OC)c(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357039907 158354928 /nfs/dbraw/zinc/35/49/28/158354928.db2.gz BHUYQEZENCFPIF-HNNXBMFYSA-N 1 3 304.434 2.525 20 0 DFADHO CC(C)[C@H](C(=O)NCCCCC[NH+]1CCCC1)N1CCCCC1 ZINC000357088042 158363389 /nfs/dbraw/zinc/36/33/89/158363389.db2.gz MVVZOMJNBKKDRD-GOSISDBHSA-N 1 3 323.525 2.879 20 0 DFADHO C[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCCCCC1 ZINC000357785403 286745668 /nfs/dbraw/zinc/74/56/68/286745668.db2.gz CDJMDNSQFZSNQG-KRWDZBQOSA-N 1 3 321.509 2.728 20 0 DFADHO CCC[C@H](NC(=O)[C@@H](C)N1CCC(C[NH3+])CC1)c1ccccc1 ZINC000430611987 296800464 /nfs/dbraw/zinc/80/04/64/296800464.db2.gz QJAFBYQOINWBPP-QAPCUYQASA-N 1 3 317.477 2.703 20 0 DFADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H](C)CN(C)C ZINC000293732463 286859450 /nfs/dbraw/zinc/85/94/50/286859450.db2.gz QDYMHAMMZZBWOR-HOCLYGCPSA-N 1 3 308.466 2.812 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)N(C)C ZINC000130689063 196101226 /nfs/dbraw/zinc/10/12/26/196101226.db2.gz SZARULFSLMMPBY-GOSISDBHSA-N 1 3 323.525 2.687 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)N(C)C ZINC000130689063 196101228 /nfs/dbraw/zinc/10/12/28/196101228.db2.gz SZARULFSLMMPBY-GOSISDBHSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)N(C)C1CC1 ZINC000130875448 196118619 /nfs/dbraw/zinc/11/86/19/196118619.db2.gz ZFTVOFNEDCBLPB-CVEARBPZSA-N 1 3 319.493 2.760 20 0 DFADHO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000133016659 196304955 /nfs/dbraw/zinc/30/49/55/196304955.db2.gz UXOCBZLTVJUFIE-FUHWJXTLSA-N 1 3 319.493 2.762 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H]2COC3(CCCCCC3)O2)[C@H](C)C1 ZINC000133273801 196327066 /nfs/dbraw/zinc/32/70/66/196327066.db2.gz IEWSMTKMAHNYPT-ZACQAIPSSA-N 1 3 310.482 2.772 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H]2COC3(CCCCCC3)O2)[C@H](C)C1 ZINC000133273801 196327068 /nfs/dbraw/zinc/32/70/68/196327068.db2.gz IEWSMTKMAHNYPT-ZACQAIPSSA-N 1 3 310.482 2.772 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(OCCN(C)C)cc1 ZINC000134023716 196353839 /nfs/dbraw/zinc/35/38/39/196353839.db2.gz DIKBNOAZXDGRQV-INIZCTEOSA-N 1 3 320.477 2.973 20 0 DFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000358179056 287310899 /nfs/dbraw/zinc/31/08/99/287310899.db2.gz QVZBLAZDISFRGS-YHOLWWCESA-N 1 3 321.509 2.663 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC2CCC(C(N)=O)CC2)CC1 ZINC000358179056 287310903 /nfs/dbraw/zinc/31/09/03/287310903.db2.gz QVZBLAZDISFRGS-YHOLWWCESA-N 1 3 321.509 2.663 20 0 DFADHO Cn1ncc(C2CCC2)c1CN1CCC(CC[NH+](C)C)CC1 ZINC000667543963 543626271 /nfs/dbraw/zinc/62/62/71/543626271.db2.gz QWQWFFSUEOJQLT-UHFFFAOYSA-N 1 3 304.482 2.851 20 0 DFADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667834685 543688896 /nfs/dbraw/zinc/68/88/96/543688896.db2.gz ZMLCSQOSYKKVGJ-PKOBYXMFSA-N 1 3 318.461 2.674 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792566 543680118 /nfs/dbraw/zinc/68/01/18/543680118.db2.gz CSOVFVJTUHGBPA-FUHWJXTLSA-N 1 3 320.477 2.574 20 0 DFADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792566 543680122 /nfs/dbraw/zinc/68/01/22/543680122.db2.gz CSOVFVJTUHGBPA-FUHWJXTLSA-N 1 3 320.477 2.574 20 0 DFADHO CC[N@H+]1CC[C@H](CN[C@@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792566 543680124 /nfs/dbraw/zinc/68/01/24/543680124.db2.gz CSOVFVJTUHGBPA-FUHWJXTLSA-N 1 3 320.477 2.574 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668172855 543758658 /nfs/dbraw/zinc/75/86/58/543758658.db2.gz VFBGTFINUUTSBP-ATZDWAIDSA-N 1 3 318.461 2.626 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668172855 543758660 /nfs/dbraw/zinc/75/86/60/543758660.db2.gz VFBGTFINUUTSBP-ATZDWAIDSA-N 1 3 318.461 2.626 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@]3(CCN([C@H]4CCCOC4)C3)C2)cc1 ZINC000671723617 544101785 /nfs/dbraw/zinc/10/17/85/544101785.db2.gz PATLCQQXLIKGTR-OALUTQOASA-N 1 3 300.446 2.763 20 0 DFADHO c1ccc(C[N@H+]2CC[C@]3(CCN([C@H]4CCCOC4)C3)C2)cc1 ZINC000671723617 544101787 /nfs/dbraw/zinc/10/17/87/544101787.db2.gz PATLCQQXLIKGTR-OALUTQOASA-N 1 3 300.446 2.763 20 0 DFADHO CCC[C@]1([NH2+]Cc2ccc(OCCN(C)C)cc2)CCOC1 ZINC000671726616 544103053 /nfs/dbraw/zinc/10/30/53/544103053.db2.gz ZDDQORFZNDSDIT-SFHVURJKSA-N 1 3 306.450 2.676 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@H]2OCCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000671751998 544106541 /nfs/dbraw/zinc/10/65/41/544106541.db2.gz KAYDXVMETPQGPE-OKYOBFRVSA-N 1 3 300.446 2.763 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@H]2OCCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000671751998 544106543 /nfs/dbraw/zinc/10/65/43/544106543.db2.gz KAYDXVMETPQGPE-OKYOBFRVSA-N 1 3 300.446 2.763 20 0 DFADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000671742060 544105171 /nfs/dbraw/zinc/10/51/71/544105171.db2.gz WTENCXZTZVTJDU-PMACEKPBSA-N 1 3 315.505 2.958 20 0 DFADHO CCC[NH+]1CCC(NC[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000672621215 544143832 /nfs/dbraw/zinc/14/38/32/544143832.db2.gz XTHMCXIIOTYTOK-OAHLLOKOSA-N 1 3 310.869 2.880 20 0 DFADHO CN(C)Cc1ccccc1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000672741899 544149862 /nfs/dbraw/zinc/14/98/62/544149862.db2.gz LVXGJMUMFBAMAN-MRXNPFEDSA-N 1 3 303.450 2.951 20 0 DFADHO CN(C)Cc1ccccc1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000672741899 544149864 /nfs/dbraw/zinc/14/98/64/544149864.db2.gz LVXGJMUMFBAMAN-MRXNPFEDSA-N 1 3 303.450 2.951 20 0 DFADHO CCc1c(C)nc2ccccc2c1N1CCC([NH2+]CCO)CC1 ZINC000290965451 222034282 /nfs/dbraw/zinc/03/42/82/222034282.db2.gz OZNWXUWLIBKGEU-UHFFFAOYSA-N 1 3 313.445 2.656 20 0 DFADHO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C1(C)C ZINC000674677502 544250664 /nfs/dbraw/zinc/25/06/64/544250664.db2.gz JIZRZDFKAVGDQX-IAGOWNOFSA-N 1 3 306.450 2.530 20 0 DFADHO c1ccc2c(c1)CCCN2CC[NH2+]C1CCN(CC2CC2)CC1 ZINC000675783707 544336157 /nfs/dbraw/zinc/33/61/57/544336157.db2.gz RFFUPZWWDPAPED-UHFFFAOYSA-N 1 3 313.489 2.903 20 0 DFADHO CCC[NH+]1CCC(N[C@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000675809945 544338163 /nfs/dbraw/zinc/33/81/63/544338163.db2.gz ASEZQSRYXFQXOQ-KRWDZBQOSA-N 1 3 317.477 2.738 20 0 DFADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000675869806 544341269 /nfs/dbraw/zinc/34/12/69/544341269.db2.gz AVFJSEVTWAPKJA-UZLBHIALSA-N 1 3 313.489 2.740 20 0 DFADHO CCC1([NH2+]Cc2ccc(OCCN(C)C)cc2)CCOCC1 ZINC000677752419 544537481 /nfs/dbraw/zinc/53/74/81/544537481.db2.gz YUJHWEOFIGSACB-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO CC(=O)Nc1cccc(CN2CCCC23CC[NH+](C)CC3)c1 ZINC000678218972 544621587 /nfs/dbraw/zinc/62/15/87/544621587.db2.gz IJRGAMLVYUUVTG-UHFFFAOYSA-N 1 3 301.434 2.705 20 0 DFADHO CC(=O)Nc1cccc(C[N@H+]2CCCC23CCN(C)CC3)c1 ZINC000678218972 544621588 /nfs/dbraw/zinc/62/15/88/544621588.db2.gz IJRGAMLVYUUVTG-UHFFFAOYSA-N 1 3 301.434 2.705 20 0 DFADHO CC(=O)Nc1cccc(C[N@@H+]2CCCC23CCN(C)CC3)c1 ZINC000678218972 544621592 /nfs/dbraw/zinc/62/15/92/544621592.db2.gz IJRGAMLVYUUVTG-UHFFFAOYSA-N 1 3 301.434 2.705 20 0 DFADHO C[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000678239022 544628153 /nfs/dbraw/zinc/62/81/53/544628153.db2.gz UMFLAGAJFLHABP-QGZVFWFLSA-N 1 3 318.461 2.772 20 0 DFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN(CCCO)C1CC1 ZINC000678264249 544637732 /nfs/dbraw/zinc/63/77/32/544637732.db2.gz RQXCGQSYXMORGB-UHFFFAOYSA-N 1 3 304.478 2.991 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN(CCCO)C1CC1 ZINC000678264249 544637736 /nfs/dbraw/zinc/63/77/36/544637736.db2.gz RQXCGQSYXMORGB-UHFFFAOYSA-N 1 3 304.478 2.991 20 0 DFADHO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000678591112 544698654 /nfs/dbraw/zinc/69/86/54/544698654.db2.gz GAMZDHXEXMZHCM-HNNXBMFYSA-N 1 3 317.477 2.646 20 0 DFADHO Cc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c(C)n1 ZINC000678598082 544699640 /nfs/dbraw/zinc/69/96/40/544699640.db2.gz AASSZXOJPIYFRC-KFKAGJAMSA-N 1 3 317.477 2.727 20 0 DFADHO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000678766389 544717065 /nfs/dbraw/zinc/71/70/65/544717065.db2.gz KEURWASJSHSTQA-OXJNMPFZSA-N 1 3 315.505 2.926 20 0 DFADHO C[C@H](CCc1ccccc1)C[NH2+]CCCN1CCCN(C)CC1 ZINC000678954534 544756259 /nfs/dbraw/zinc/75/62/59/544756259.db2.gz FPOFUOJJIPZENU-LJQANCHMSA-N 1 3 317.521 2.873 20 0 DFADHO CCN1C[C@H](C)[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000679074237 544779378 /nfs/dbraw/zinc/77/93/78/544779378.db2.gz AFMSBZCFQZDTLH-JFRXWTBNSA-N 1 3 307.526 2.959 20 0 DFADHO CO[C@@H]1CCCN(CC[C@H](C)[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679954002 544933546 /nfs/dbraw/zinc/93/35/46/544933546.db2.gz OBHIYUBYBUGDBY-RCCFBDPRSA-N 1 3 312.498 2.767 20 0 DFADHO CO[C@@H]1CCCN(CC[C@H](C)[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679954002 544933547 /nfs/dbraw/zinc/93/35/47/544933547.db2.gz OBHIYUBYBUGDBY-RCCFBDPRSA-N 1 3 312.498 2.767 20 0 DFADHO CO[C@@H]1CCCN([C@@H](C)CC[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679954002 544933549 /nfs/dbraw/zinc/93/35/49/544933549.db2.gz OBHIYUBYBUGDBY-RCCFBDPRSA-N 1 3 312.498 2.767 20 0 DFADHO CO[C@@H]1CCCN([C@@H](C)CC[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679954002 544933552 /nfs/dbraw/zinc/93/35/52/544933552.db2.gz OBHIYUBYBUGDBY-RCCFBDPRSA-N 1 3 312.498 2.767 20 0 DFADHO C[NH+](C)CCC1CCN(CCOCCOc2ccccc2)CC1 ZINC000056522049 425895325 /nfs/dbraw/zinc/89/53/25/425895325.db2.gz MFABQELGYWOGLE-UHFFFAOYSA-N 1 3 320.477 2.746 20 0 DFADHO COC(=O)CCCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156962795 425937049 /nfs/dbraw/zinc/93/70/49/425937049.db2.gz JJOILZMNCOXNSQ-FUHWJXTLSA-N 1 3 318.461 2.925 20 0 DFADHO COC(=O)CCCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156962795 425937051 /nfs/dbraw/zinc/93/70/51/425937051.db2.gz JJOILZMNCOXNSQ-FUHWJXTLSA-N 1 3 318.461 2.925 20 0 DFADHO [NH3+]CCCCNCc1cc(Br)ccc1OC(F)F ZINC000037715405 425848932 /nfs/dbraw/zinc/84/89/32/425848932.db2.gz YWGRFWUSDVIYHO-UHFFFAOYSA-N 1 3 323.181 2.879 20 0 DFADHO CN1CCC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000044533911 425856747 /nfs/dbraw/zinc/85/67/47/425856747.db2.gz CFHKEHRDUIRNFJ-GFCCVEGCSA-N 1 3 310.825 2.543 20 0 DFADHO COC(=O)C1CCC([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000192447612 268036254 /nfs/dbraw/zinc/03/62/54/268036254.db2.gz HOAWIOJSNXMQNK-ORBLRFAASA-N 1 3 322.493 2.961 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000192925646 268054383 /nfs/dbraw/zinc/05/43/83/268054383.db2.gz FJFVSPBBKFQPAE-HNNXBMFYSA-N 1 3 304.434 2.984 20 0 DFADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000193144950 268060212 /nfs/dbraw/zinc/06/02/12/268060212.db2.gz IVGMUVXZTGDSNF-HOCLYGCPSA-N 1 3 305.466 2.936 20 0 DFADHO CC[NH+]1CCC(NC[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000223641259 268141923 /nfs/dbraw/zinc/14/19/23/268141923.db2.gz XVCYIQIVMKWOPT-HNNXBMFYSA-N 1 3 313.486 2.610 20 0 DFADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268802015 268185532 /nfs/dbraw/zinc/18/55/32/268185532.db2.gz YXPIJUHCXMEHJO-IRXDYDNUSA-N 1 3 317.477 2.516 20 0 DFADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268802015 268185534 /nfs/dbraw/zinc/18/55/34/268185534.db2.gz YXPIJUHCXMEHJO-IRXDYDNUSA-N 1 3 317.477 2.516 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268802015 268185536 /nfs/dbraw/zinc/18/55/36/268185536.db2.gz YXPIJUHCXMEHJO-IRXDYDNUSA-N 1 3 317.477 2.516 20 0 DFADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268802011 268186281 /nfs/dbraw/zinc/18/62/81/268186281.db2.gz YXPIJUHCXMEHJO-IAGOWNOFSA-N 1 3 317.477 2.516 20 0 DFADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268802011 268186282 /nfs/dbraw/zinc/18/62/82/268186282.db2.gz YXPIJUHCXMEHJO-IAGOWNOFSA-N 1 3 317.477 2.516 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268802011 268186283 /nfs/dbraw/zinc/18/62/83/268186283.db2.gz YXPIJUHCXMEHJO-IAGOWNOFSA-N 1 3 317.477 2.516 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccccn1 ZINC000270954914 268240010 /nfs/dbraw/zinc/24/00/10/268240010.db2.gz WDWNPKITHSOOHU-INIZCTEOSA-N 1 3 313.445 2.915 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000299272636 268319590 /nfs/dbraw/zinc/31/95/90/268319590.db2.gz UXDQVNFLNYBQHF-GDBMZVCRSA-N 1 3 305.466 2.572 20 0 DFADHO CN1CCC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000315260599 268342590 /nfs/dbraw/zinc/34/25/90/268342590.db2.gz DJVSJKMIYUMUBK-CYBMUJFWSA-N 1 3 324.852 2.933 20 0 DFADHO CC(C)[N@@H+](Cc1cccs1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000315694351 268343657 /nfs/dbraw/zinc/34/36/57/268343657.db2.gz FAKRXCHMZBWYQT-ROUUACIJSA-N 1 3 318.486 2.889 20 0 DFADHO CC(C)[N@H+](Cc1cccs1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000315694351 268343658 /nfs/dbraw/zinc/34/36/58/268343658.db2.gz FAKRXCHMZBWYQT-ROUUACIJSA-N 1 3 318.486 2.889 20 0 DFADHO CCOC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000321487187 268348652 /nfs/dbraw/zinc/34/86/52/268348652.db2.gz XYFXGBPCZPOPDN-GVDBMIGSSA-N 1 3 323.481 2.508 20 0 DFADHO CCc1noc(C2CCC([NH2+][C@@H](C)[C@H]3CCCNC3)CC2)n1 ZINC000333182779 268380187 /nfs/dbraw/zinc/38/01/87/268380187.db2.gz QCJFHAIDAWXEPO-LQULJDIASA-N 1 3 306.454 2.636 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000161542907 426028197 /nfs/dbraw/zinc/02/81/97/426028197.db2.gz DKUHRXLMQFWSGK-KRWDZBQOSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000161542907 426028200 /nfs/dbraw/zinc/02/82/00/426028200.db2.gz DKUHRXLMQFWSGK-KRWDZBQOSA-N 1 3 317.477 2.598 20 0 DFADHO CCC[C@@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)N(C)C ZINC000126862778 426039619 /nfs/dbraw/zinc/03/96/19/426039619.db2.gz XZNVIYLWOIYTDO-AEFFLSMTSA-N 1 3 319.493 2.744 20 0 DFADHO CCC[C@@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000126862778 426039621 /nfs/dbraw/zinc/03/96/21/426039621.db2.gz XZNVIYLWOIYTDO-AEFFLSMTSA-N 1 3 319.493 2.744 20 0 DFADHO Cc1nccn1CCCCN1CCC([NH2+]C2CCCC2)CC1 ZINC000161802866 426039761 /nfs/dbraw/zinc/03/97/61/426039761.db2.gz WORWBZPYPQGSKB-UHFFFAOYSA-N 1 3 304.482 2.968 20 0 DFADHO CC(C)[NH2+]C1CCN(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000075956097 426090675 /nfs/dbraw/zinc/09/06/75/426090675.db2.gz DJKPKPWRAFDPLF-UHFFFAOYSA-N 1 3 318.465 2.743 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC000112918567 426097825 /nfs/dbraw/zinc/09/78/25/426097825.db2.gz VGGZMDJXUHMHKD-GOSISDBHSA-N 1 3 323.525 2.831 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC000112918567 426097828 /nfs/dbraw/zinc/09/78/28/426097828.db2.gz VGGZMDJXUHMHKD-GOSISDBHSA-N 1 3 323.525 2.831 20 0 DFADHO C[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000163830916 426109857 /nfs/dbraw/zinc/10/98/57/426109857.db2.gz JIRWXQQJIQEBMX-LSDHHAIUSA-N 1 3 316.449 2.772 20 0 DFADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128329347 426113513 /nfs/dbraw/zinc/11/35/13/426113513.db2.gz ZYOVGJHUYYBULC-HXUWFJFHSA-N 1 3 317.521 2.933 20 0 DFADHO CC[C@H](N)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000164840461 426118144 /nfs/dbraw/zinc/11/81/44/426118144.db2.gz RRKSAPWGIXHVFE-DAYGRLMNSA-N 1 3 317.477 2.518 20 0 DFADHO CC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000164840461 426118148 /nfs/dbraw/zinc/11/81/48/426118148.db2.gz RRKSAPWGIXHVFE-DAYGRLMNSA-N 1 3 317.477 2.518 20 0 DFADHO COC[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C(C)C ZINC000165329694 426122177 /nfs/dbraw/zinc/12/21/77/426122177.db2.gz IDLCDQKPUQEHLV-OALUTQOASA-N 1 3 304.478 2.812 20 0 DFADHO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128652409 426126745 /nfs/dbraw/zinc/12/67/45/426126745.db2.gz DNSUEOXOWDVUNM-QGZVFWFLSA-N 1 3 319.493 2.764 20 0 DFADHO CC(C)[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)N(C)C ZINC000128678648 426128404 /nfs/dbraw/zinc/12/84/04/426128404.db2.gz KKOKZPRHXLBHNS-ABHNRTSZSA-N 1 3 323.525 2.732 20 0 DFADHO C[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)N1CCCCCC1 ZINC000114235110 426130182 /nfs/dbraw/zinc/13/01/82/426130182.db2.gz PPMNMUKQQJJRNT-OAHLLOKOSA-N 1 3 303.450 2.951 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000167620751 426133841 /nfs/dbraw/zinc/13/38/41/426133841.db2.gz SCUPEXVSFOQMNM-OAHLLOKOSA-N 1 3 317.477 2.622 20 0 DFADHO C[C@H]1C[C@H](NCC2=CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000127762722 426084753 /nfs/dbraw/zinc/08/47/53/426084753.db2.gz XAYKGQKMUMZFIY-QFBILLFUSA-N 1 3 300.446 2.976 20 0 DFADHO C[C@H]1C[C@H](NCC2=CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000127762722 426084757 /nfs/dbraw/zinc/08/47/57/426084757.db2.gz XAYKGQKMUMZFIY-QFBILLFUSA-N 1 3 300.446 2.976 20 0 DFADHO CCN(C/C=C/C[N@H+](CC)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000114726035 426142431 /nfs/dbraw/zinc/14/24/31/426142431.db2.gz OTQQIHSDVNGQOU-ZBKUBXTQSA-N 1 3 310.482 2.544 20 0 DFADHO CCN(C/C=C/C[N@@H+](CC)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000114726035 426142435 /nfs/dbraw/zinc/14/24/35/426142435.db2.gz OTQQIHSDVNGQOU-ZBKUBXTQSA-N 1 3 310.482 2.544 20 0 DFADHO Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000132749313 426171750 /nfs/dbraw/zinc/17/17/50/426171750.db2.gz IODRNEYIJUGZIM-AUUYWEPGSA-N 1 3 318.436 2.904 20 0 DFADHO Cc1ccc([C@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134927683 426199616 /nfs/dbraw/zinc/19/96/16/426199616.db2.gz WOQIXICFMISRIV-MISYRCLQSA-N 1 3 314.473 2.977 20 0 DFADHO Cc1ccc([C@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134927683 426199618 /nfs/dbraw/zinc/19/96/18/426199618.db2.gz WOQIXICFMISRIV-MISYRCLQSA-N 1 3 314.473 2.977 20 0 DFADHO C(CCN1CCOCC12CCC2)CC[N@@H+]1CCOCC12CCC2 ZINC000135498720 426220697 /nfs/dbraw/zinc/22/06/97/426220697.db2.gz CYOATGNFFAQNIN-UHFFFAOYSA-N 1 3 322.493 2.667 20 0 DFADHO C(CCN1CCOCC12CCC2)CC[N@H+]1CCOCC12CCC2 ZINC000135498720 426220699 /nfs/dbraw/zinc/22/06/99/426220699.db2.gz CYOATGNFFAQNIN-UHFFFAOYSA-N 1 3 322.493 2.667 20 0 DFADHO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CCN1C ZINC000119101449 426262538 /nfs/dbraw/zinc/26/25/38/426262538.db2.gz XVZXXVMGTVPMBD-UHOSZYNNSA-N 1 3 301.478 2.723 20 0 DFADHO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000135331378 426214696 /nfs/dbraw/zinc/21/46/96/426214696.db2.gz UDFFDYXWFBKARI-YJBOKZPZSA-N 1 3 321.509 2.630 20 0 DFADHO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000135331378 426214699 /nfs/dbraw/zinc/21/46/99/426214699.db2.gz UDFFDYXWFBKARI-YJBOKZPZSA-N 1 3 321.509 2.630 20 0 DFADHO N[C@@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000119544207 426295641 /nfs/dbraw/zinc/29/56/41/426295641.db2.gz UDUFXGAKWDJMLP-MSOLQXFVSA-N 1 3 315.461 2.553 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)[C@@H]1CCOC1 ZINC000119579001 426298976 /nfs/dbraw/zinc/29/89/76/426298976.db2.gz CMWQUOCAYWLOHO-ZMSDIMECSA-N 1 3 306.450 2.703 20 0 DFADHO CN(C)Cc1cccc(C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000119870848 426303225 /nfs/dbraw/zinc/30/32/25/426303225.db2.gz XOMHEQWHDSSAJC-UHFFFAOYSA-N 1 3 317.477 2.598 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+]CCCCOC)CC1 ZINC000088682585 426279180 /nfs/dbraw/zinc/27/91/80/426279180.db2.gz UGMFVXWQUIJDSH-UHFFFAOYSA-N 1 3 319.493 2.735 20 0 DFADHO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000151190483 426282707 /nfs/dbraw/zinc/28/27/07/426282707.db2.gz XGUIPOIWQQOIEK-RDJZCZTQSA-N 1 3 308.466 2.685 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000175159247 426283548 /nfs/dbraw/zinc/28/35/48/426283548.db2.gz DGLOUKJZKXPCBF-IAGOWNOFSA-N 1 3 318.465 2.743 20 0 DFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C(C)C)N(C)C ZINC000153743829 426403280 /nfs/dbraw/zinc/40/32/80/426403280.db2.gz KIHQZDAXGCJRCU-GOSISDBHSA-N 1 3 319.493 2.683 20 0 DFADHO CC1CCC(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000093148365 426355167 /nfs/dbraw/zinc/35/51/67/426355167.db2.gz ZKDWJCKFTDHYCQ-CTWPCTMYSA-N 1 3 307.526 2.915 20 0 DFADHO CC1CCC(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000093148365 426355169 /nfs/dbraw/zinc/35/51/69/426355169.db2.gz ZKDWJCKFTDHYCQ-CTWPCTMYSA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)N(C)C(=O)[C@@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122045072 426357426 /nfs/dbraw/zinc/35/74/26/426357426.db2.gz LDHUJSFAICKUCQ-QGZVFWFLSA-N 1 3 323.525 2.830 20 0 DFADHO C[C@@H](C(=O)NC1CCCCC1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123331312 426427922 /nfs/dbraw/zinc/42/79/22/426427922.db2.gz SJROYWPDJZSERG-INIZCTEOSA-N 1 3 323.525 2.878 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(F)cc1 ZINC000154312670 426435580 /nfs/dbraw/zinc/43/55/80/426435580.db2.gz MQEPNGKVSKOOSE-SFHVURJKSA-N 1 3 307.457 2.894 20 0 DFADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123532451 426438846 /nfs/dbraw/zinc/43/88/46/426438846.db2.gz VSFMWFZQUKTPTC-IAGOWNOFSA-N 1 3 323.525 2.830 20 0 DFADHO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000123584404 426441911 /nfs/dbraw/zinc/44/19/11/426441911.db2.gz VLNQQCVIKDRWGE-YJBOKZPZSA-N 1 3 308.466 2.685 20 0 DFADHO COc1ccc(C[C@@H](C)CN2CC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000340698428 269000989 /nfs/dbraw/zinc/00/09/89/269000989.db2.gz OUYWQBGIXIOBOE-RDTXWAMCSA-N 1 3 306.425 2.698 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCCCC1 ZINC000341000020 269035868 /nfs/dbraw/zinc/03/58/68/269035868.db2.gz HIABYDDTUOPNIC-MSOLQXFVSA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)n1ncc2cc(CN3CCC(C[NH+](C)C)CC3)cnc21 ZINC000341179471 269053655 /nfs/dbraw/zinc/05/36/55/269053655.db2.gz WZDXSWOIRZDHPK-UHFFFAOYSA-N 1 3 315.465 2.786 20 0 DFADHO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCC(C)CC2)cc1 ZINC000098144101 426480649 /nfs/dbraw/zinc/48/06/49/426480649.db2.gz NYMHQTBGORYEAH-WMZOPIPTSA-N 1 3 320.477 2.829 20 0 DFADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c(OC)c1 ZINC000124376229 426482297 /nfs/dbraw/zinc/48/22/97/426482297.db2.gz UNPYQEHDVARDOD-KBPBESRZSA-N 1 3 304.434 2.839 20 0 DFADHO C[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)N1[C@H](C)CC[C@@H]1C ZINC000101639509 426485576 /nfs/dbraw/zinc/48/55/76/426485576.db2.gz HOSVSTHAZHXAHR-XHSDSOJGSA-N 1 3 317.477 2.626 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272359823 426506180 /nfs/dbraw/zinc/50/61/80/426506180.db2.gz PYXUMOGLPUKZRI-GOSISDBHSA-N 1 3 318.436 2.808 20 0 DFADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000177750968 426514042 /nfs/dbraw/zinc/51/40/42/426514042.db2.gz FXYUVGSABASKPQ-YCPHGPKFSA-N 1 3 317.433 2.777 20 0 DFADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000177750968 426514044 /nfs/dbraw/zinc/51/40/44/426514044.db2.gz FXYUVGSABASKPQ-YCPHGPKFSA-N 1 3 317.433 2.777 20 0 DFADHO C[NH+]1CCC(C)(CNCc2ccnn2-c2ccc(F)cc2)CC1 ZINC000280216431 426522010 /nfs/dbraw/zinc/52/20/10/426522010.db2.gz IOEXTVZRKQZACF-UHFFFAOYSA-N 1 3 316.424 2.833 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1sccc1OC ZINC000186189452 426492766 /nfs/dbraw/zinc/49/27/66/426492766.db2.gz NWMDERSHDXUYQS-STQMWFEESA-N 1 3 300.468 2.764 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289166119 426596939 /nfs/dbraw/zinc/59/69/39/426596939.db2.gz HJFILDHZKXIMDG-QGZVFWFLSA-N 1 3 313.445 2.592 20 0 DFADHO C[C@@H]([NH2+]CC1CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000178278440 426597186 /nfs/dbraw/zinc/59/71/86/426597186.db2.gz MCLVSGDYDROFAI-OAHLLOKOSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@@H]([NH2+]CC1CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000178279893 426599582 /nfs/dbraw/zinc/59/95/82/426599582.db2.gz HEIGYTCLWJIDNP-OAHLLOKOSA-N 1 3 306.450 2.704 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186946749 426611107 /nfs/dbraw/zinc/61/11/07/426611107.db2.gz KRUUJEDPFZQPOR-SFHVURJKSA-N 1 3 320.452 2.679 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C[C@H](C)O1 ZINC000178040140 426561448 /nfs/dbraw/zinc/56/14/48/426561448.db2.gz JIIXRNJXOTYWIX-OWCLPIDISA-N 1 3 312.498 2.812 20 0 DFADHO Cc1nc(C)c([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)s1 ZINC000178469084 426634198 /nfs/dbraw/zinc/63/41/98/426634198.db2.gz IJBAEDKICPOTKY-HIFRSBDPSA-N 1 3 323.506 2.911 20 0 DFADHO c1ccc2c(c1)[nH+]ccc2N1CCN(C[C@@H]2CCCCO2)CC1 ZINC000289389530 426645133 /nfs/dbraw/zinc/64/51/33/426645133.db2.gz QTCPHMZWEILXCQ-INIZCTEOSA-N 1 3 311.429 2.926 20 0 DFADHO Cc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1F ZINC000289460441 426663948 /nfs/dbraw/zinc/66/39/48/426663948.db2.gz OIVVWECJRNYCHR-UHFFFAOYSA-N 1 3 307.457 2.592 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236767671 426683798 /nfs/dbraw/zinc/68/37/98/426683798.db2.gz ZFFZQPYGPMZDFI-QAPCUYQASA-N 1 3 317.477 2.518 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236767671 426683804 /nfs/dbraw/zinc/68/38/04/426683804.db2.gz ZFFZQPYGPMZDFI-QAPCUYQASA-N 1 3 317.477 2.518 20 0 DFADHO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@]1(F)CCNC1 ZINC000178742502 426685847 /nfs/dbraw/zinc/68/58/47/426685847.db2.gz AXRJQXMAHQWQFF-SFHVURJKSA-N 1 3 319.424 2.703 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)c2ccccc21 ZINC000289301312 426622772 /nfs/dbraw/zinc/62/27/72/426622772.db2.gz SEDZQZFCDHXOCE-DNVCBOLYSA-N 1 3 301.478 2.851 20 0 DFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(N)CCCC2)CC1 ZINC000178769230 426691262 /nfs/dbraw/zinc/69/12/62/426691262.db2.gz QUYXQFCRZWTMSF-HNNXBMFYSA-N 1 3 315.461 2.600 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000237043695 426689222 /nfs/dbraw/zinc/68/92/22/426689222.db2.gz BDWUREOBVUQZRN-XIRDDKMYSA-N 1 3 305.466 2.559 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000178829415 426703713 /nfs/dbraw/zinc/70/37/13/426703713.db2.gz AQGHLZZXSGASOA-BQFCYCMXSA-N 1 3 315.461 2.916 20 0 DFADHO C[C@@H]1C[C@H](NCCN2CCc3c(Cl)cccc3C2)CC[N@@H+]1C ZINC000187998120 426714602 /nfs/dbraw/zinc/71/46/02/426714602.db2.gz ZQFOZLNKWLNPTI-GDBMZVCRSA-N 1 3 321.896 2.770 20 0 DFADHO C[C@@H]1C[C@H](NCCN2CCc3c(Cl)cccc3C2)CC[N@H+]1C ZINC000187998120 426714604 /nfs/dbraw/zinc/71/46/04/426714604.db2.gz ZQFOZLNKWLNPTI-GDBMZVCRSA-N 1 3 321.896 2.770 20 0 DFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H](N)c1ccccc1 ZINC000237516665 426692418 /nfs/dbraw/zinc/69/24/18/426692418.db2.gz XZAMSJKPMYJAIV-KYHPRHEASA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H](N)c1ccccc1 ZINC000237516665 426692422 /nfs/dbraw/zinc/69/24/22/426692422.db2.gz XZAMSJKPMYJAIV-KYHPRHEASA-N 1 3 317.477 2.559 20 0 DFADHO c1cnn(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245766621 426770325 /nfs/dbraw/zinc/77/03/25/426770325.db2.gz WMGSKQVVUIEXJX-LDLYASANSA-N 1 3 310.445 2.668 20 0 DFADHO c1cnn(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245766621 426770331 /nfs/dbraw/zinc/77/03/31/426770331.db2.gz WMGSKQVVUIEXJX-LDLYASANSA-N 1 3 310.445 2.668 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCCOC4)[C@H]3C2)cc1 ZINC000290288730 426733216 /nfs/dbraw/zinc/73/32/16/426733216.db2.gz MQVDOLPGWFWASM-RDGPPVDQSA-N 1 3 300.446 2.666 20 0 DFADHO CSC1(C[NH2+]CCc2ccc(OCCN(C)C)cc2)CC1 ZINC000290327874 426743863 /nfs/dbraw/zinc/74/38/63/426743863.db2.gz KAYUIABRKHDCAA-UHFFFAOYSA-N 1 3 308.491 2.655 20 0 DFADHO C[NH+](C)CCCC1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000290580147 426798285 /nfs/dbraw/zinc/79/82/85/426798285.db2.gz ZKVYXWHHWPZQPU-UHFFFAOYSA-N 1 3 301.438 2.512 20 0 DFADHO COc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000290592405 426801772 /nfs/dbraw/zinc/80/17/72/426801772.db2.gz VJTWROFAVGLQJS-MRXNPFEDSA-N 1 3 318.461 2.868 20 0 DFADHO C[C@@H](c1ccccn1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000267079257 426820804 /nfs/dbraw/zinc/82/08/04/426820804.db2.gz QKFJJANUJANYHE-BBWFWOEESA-N 1 3 317.477 2.964 20 0 DFADHO C[C@@H](c1ccccn1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000267079257 426820808 /nfs/dbraw/zinc/82/08/08/426820808.db2.gz QKFJJANUJANYHE-BBWFWOEESA-N 1 3 317.477 2.964 20 0 DFADHO COC(C)(C)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000180170659 426841984 /nfs/dbraw/zinc/84/19/84/426841984.db2.gz VBDSXHNZKJDUCY-FGTMMUONSA-N 1 3 302.462 2.912 20 0 DFADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282163629 426842328 /nfs/dbraw/zinc/84/23/28/426842328.db2.gz DNOAVYQKRGZLKC-INIZCTEOSA-N 1 3 321.484 2.762 20 0 DFADHO CN1CCN(CC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1(C)C ZINC000282215892 426855045 /nfs/dbraw/zinc/85/50/45/426855045.db2.gz HPNNCBNUXPLLKR-GOSISDBHSA-N 1 3 319.468 2.892 20 0 DFADHO C[NH2+]Cc1ccc(NC(=O)[C@H](C(C)C)N2CCCCC2)cc1 ZINC000295188892 426856435 /nfs/dbraw/zinc/85/64/35/426856435.db2.gz IPLVYEBDTPZYII-KRWDZBQOSA-N 1 3 303.450 2.855 20 0 DFADHO CCN1CC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247189336 426914942 /nfs/dbraw/zinc/91/49/42/426914942.db2.gz VQVPEPVIDAPFJZ-FXAWDEMLSA-N 1 3 315.505 2.755 20 0 DFADHO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cn1 ZINC000247253443 426920363 /nfs/dbraw/zinc/92/03/63/426920363.db2.gz ZVIDYTMUFFDBTN-BFYDXBDKSA-N 1 3 304.482 2.746 20 0 DFADHO Cn1cc([C@@H](NCC2CC[NH+](C)CC2)c2cccc(F)c2)cn1 ZINC000180459454 426861148 /nfs/dbraw/zinc/86/11/48/426861148.db2.gz QLPIULVDGPVTEB-SFHVURJKSA-N 1 3 316.424 2.580 20 0 DFADHO CN1CCN(CC[NH2+]Cc2ccc(F)c(Cl)c2)CC1(C)C ZINC000282287579 426871415 /nfs/dbraw/zinc/87/14/15/426871415.db2.gz IQNDLSJZDQUFEC-UHFFFAOYSA-N 1 3 313.848 2.595 20 0 DFADHO COc1ccccc1N1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000246851220 426872331 /nfs/dbraw/zinc/87/23/31/426872331.db2.gz CAVRXJXFPKIDMT-VVLHAWIVSA-N 1 3 317.477 2.592 20 0 DFADHO COc1ccccc1N1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000246851220 426872334 /nfs/dbraw/zinc/87/23/34/426872334.db2.gz CAVRXJXFPKIDMT-VVLHAWIVSA-N 1 3 317.477 2.592 20 0 DFADHO C[C@H]([NH2+]CC1(N(C)C)CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000275624879 426883332 /nfs/dbraw/zinc/88/33/32/426883332.db2.gz AMDSKGAELZNUAF-HKUYNNGSSA-N 1 3 315.505 2.971 20 0 DFADHO Cc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1Cl ZINC000282399489 426900567 /nfs/dbraw/zinc/90/05/67/426900567.db2.gz POTQQRWKKNWXAO-UHFFFAOYSA-N 1 3 309.885 2.764 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000247150318 426912150 /nfs/dbraw/zinc/91/21/50/426912150.db2.gz SWAPUSNEEBBGRG-QFBILLFUSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000247150318 426912158 /nfs/dbraw/zinc/91/21/58/426912158.db2.gz SWAPUSNEEBBGRG-QFBILLFUSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@H+]1CC[C@@H](NCc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000247150318 426912167 /nfs/dbraw/zinc/91/21/67/426912167.db2.gz SWAPUSNEEBBGRG-QFBILLFUSA-N 1 3 312.461 2.751 20 0 DFADHO COc1cc(C[NH2+]C[C@@H](C)CN(C)C)ccc1OC(F)F ZINC000291692447 426955225 /nfs/dbraw/zinc/95/52/25/426955225.db2.gz JCUHOXUMOSYRON-LLVKDONJSA-N 1 3 302.365 2.584 20 0 DFADHO CCOc1cc(C[NH2+]C[C@@H](C)CN(C)C)ccc1OC(F)F ZINC000291779586 426985771 /nfs/dbraw/zinc/98/57/71/426985771.db2.gz UTOXABHJOHMMGO-GFCCVEGCSA-N 1 3 316.392 2.974 20 0 DFADHO CCCC[C@H](COC)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000248445960 427000186 /nfs/dbraw/zinc/00/01/86/427000186.db2.gz MTGFCVJDNCJHMM-RTBURBONSA-N 1 3 320.477 2.548 20 0 DFADHO c1cc(N2CCC(C[NH2+][C@H]3CCOC4(CCC4)C3)CC2)ccn1 ZINC000295557351 427006672 /nfs/dbraw/zinc/00/66/72/427006672.db2.gz YWCKTJFMABFUMQ-KRWDZBQOSA-N 1 3 315.461 2.989 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc3ncccc3c2)CC1 ZINC000268441394 427018514 /nfs/dbraw/zinc/01/85/14/427018514.db2.gz RKXMNKYTPWCCOB-UHFFFAOYSA-N 1 3 313.445 2.560 20 0 DFADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248737801 427038118 /nfs/dbraw/zinc/03/81/18/427038118.db2.gz OZWVFRDXBJXSTR-MDMSPXHWSA-N 1 3 306.494 2.902 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248737801 427038123 /nfs/dbraw/zinc/03/81/23/427038123.db2.gz OZWVFRDXBJXSTR-MDMSPXHWSA-N 1 3 306.494 2.902 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248737801 427038129 /nfs/dbraw/zinc/03/81/29/427038129.db2.gz OZWVFRDXBJXSTR-MDMSPXHWSA-N 1 3 306.494 2.902 20 0 DFADHO O[C@@H](CCc1ccccc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000182243775 427039546 /nfs/dbraw/zinc/03/95/46/427039546.db2.gz ZGRBVFMQLKIXHL-FQEVSTJZSA-N 1 3 316.489 2.788 20 0 DFADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000248999723 427072483 /nfs/dbraw/zinc/07/24/83/427072483.db2.gz IGFWWKGRKATDMT-COXVUDFISA-N 1 3 310.388 2.869 20 0 DFADHO C[C@@H](CCCC[NH3+])NC(=O)c1oc2ccccc2c1CN(C)C ZINC000292058410 427074592 /nfs/dbraw/zinc/07/45/92/427074592.db2.gz JWYDGYUUIXINPR-ZDUSSCGKSA-N 1 3 317.433 2.742 20 0 DFADHO CC[NH+]1CCC(N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000268697903 427092768 /nfs/dbraw/zinc/09/27/68/427092768.db2.gz AJFKJJVSTQQXKH-ZDUSSCGKSA-N 1 3 301.434 2.706 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCCc2c(O)cccc21 ZINC000283949873 427103996 /nfs/dbraw/zinc/10/39/96/427103996.db2.gz FRPVXAWRQZFGEB-YOEHRIQHSA-N 1 3 306.450 2.716 20 0 DFADHO C[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000249282430 427104712 /nfs/dbraw/zinc/10/47/12/427104712.db2.gz HCCWLAYELHOBGS-FUHWJXTLSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000249282430 427104713 /nfs/dbraw/zinc/10/47/13/427104713.db2.gz HCCWLAYELHOBGS-FUHWJXTLSA-N 1 3 317.477 2.528 20 0 DFADHO CC(C)NC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268736315 427106774 /nfs/dbraw/zinc/10/67/74/427106774.db2.gz BQYWMOHNGTVPMM-SJLPKXTDSA-N 1 3 317.477 2.544 20 0 DFADHO CC(C)NC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268736315 427106780 /nfs/dbraw/zinc/10/67/80/427106780.db2.gz BQYWMOHNGTVPMM-SJLPKXTDSA-N 1 3 317.477 2.544 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000249378408 427110304 /nfs/dbraw/zinc/11/03/04/427110304.db2.gz NTMWTVNGMUTSCV-ZIAGYGMSSA-N 1 3 322.449 2.705 20 0 DFADHO C[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000182606018 427110743 /nfs/dbraw/zinc/11/07/43/427110743.db2.gz SWNHQNFEORULHN-INIZCTEOSA-N 1 3 312.461 2.983 20 0 DFADHO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268815564 427124846 /nfs/dbraw/zinc/12/48/46/427124846.db2.gz MGVIKYQHIMUPBH-HZPDHXFCSA-N 1 3 316.449 2.563 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000268876759 427137789 /nfs/dbraw/zinc/13/77/89/427137789.db2.gz IYVWDGMMYJXDNR-JYBIWHBTSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(OCCN(C)C)cc1 ZINC000296297936 427141302 /nfs/dbraw/zinc/14/13/02/427141302.db2.gz FULSVEBKMHDAQF-JKSUJKDBSA-N 1 3 308.466 2.829 20 0 DFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000249747254 427142553 /nfs/dbraw/zinc/14/25/53/427142553.db2.gz OHDAABJCWFXIJV-HOTGVXAUSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000249747254 427142560 /nfs/dbraw/zinc/14/25/60/427142560.db2.gz OHDAABJCWFXIJV-HOTGVXAUSA-N 1 3 317.477 2.598 20 0 DFADHO CC[NH+](CC)CCCC1CCN(CC(=O)N2CCCCC2)CC1 ZINC000182786772 427146545 /nfs/dbraw/zinc/14/65/45/427146545.db2.gz MFSUTFTXPFRJCV-UHFFFAOYSA-N 1 3 323.525 2.833 20 0 DFADHO C1C[C@@H]2C[C@@H]([NH2+][C@H]3CCOC4(CCSCC4)C3)CCN2C1 ZINC000251086238 427157926 /nfs/dbraw/zinc/15/79/26/427157926.db2.gz HTSVJADNNBVBQV-HRCADAONSA-N 1 3 310.507 2.648 20 0 DFADHO C1C[C@@H]2C[C@@H](N[C@H]3CCOC4(CCSCC4)C3)CC[N@@H+]2C1 ZINC000251086238 427157935 /nfs/dbraw/zinc/15/79/35/427157935.db2.gz HTSVJADNNBVBQV-HRCADAONSA-N 1 3 310.507 2.648 20 0 DFADHO C1C[C@@H]2C[C@@H](N[C@H]3CCOC4(CCSCC4)C3)CC[N@H+]2C1 ZINC000251086238 427157941 /nfs/dbraw/zinc/15/79/41/427157941.db2.gz HTSVJADNNBVBQV-HRCADAONSA-N 1 3 310.507 2.648 20 0 DFADHO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000174868286 271141350 /nfs/dbraw/zinc/14/13/50/271141350.db2.gz SPTVYPVPHPOIHJ-RHSMWYFYSA-N 1 3 318.465 2.695 20 0 DFADHO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000174868286 271141352 /nfs/dbraw/zinc/14/13/52/271141352.db2.gz SPTVYPVPHPOIHJ-RHSMWYFYSA-N 1 3 318.465 2.695 20 0 DFADHO C[C@@H](NC1CC1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000296383450 427164184 /nfs/dbraw/zinc/16/41/84/427164184.db2.gz KPBHIJJKTQKXAV-LSDHHAIUSA-N 1 3 315.461 2.998 20 0 DFADHO C[C@@H](NC1CC1)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000296383450 427164192 /nfs/dbraw/zinc/16/41/92/427164192.db2.gz KPBHIJJKTQKXAV-LSDHHAIUSA-N 1 3 315.461 2.998 20 0 DFADHO CC[C@@H](CNC1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC000227719284 271238401 /nfs/dbraw/zinc/23/84/01/271238401.db2.gz UWXHJJKTWRFLRP-AWEZNQCLSA-N 1 3 313.486 2.752 20 0 DFADHO O[C@H](CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000252692419 271267618 /nfs/dbraw/zinc/26/76/18/271267618.db2.gz LVKRIKHFMKWDBV-QXAKKESOSA-N 1 3 300.446 2.669 20 0 DFADHO O[C@H](CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000252692419 271267620 /nfs/dbraw/zinc/26/76/20/271267620.db2.gz LVKRIKHFMKWDBV-QXAKKESOSA-N 1 3 300.446 2.669 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000338170972 427167547 /nfs/dbraw/zinc/16/75/47/427167547.db2.gz BKRJRGXPWBVTSX-YJBOKZPZSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@H](Cc1cccc(Cl)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000282617791 271332278 /nfs/dbraw/zinc/33/22/78/271332278.db2.gz JFWDZBRSIZLXJE-PBHICJAKSA-N 1 3 310.869 2.707 20 0 DFADHO c1cn(CCCN2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000183173429 427218070 /nfs/dbraw/zinc/21/80/70/427218070.db2.gz JAPQYAFYLQNJRV-GOSISDBHSA-N 1 3 304.482 2.861 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000338224786 427201024 /nfs/dbraw/zinc/20/10/24/427201024.db2.gz KVEZPMZDMPMPRR-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO CN1CCN(CCC[NH+]2CCCCC2)C[C@@H]1Cc1ccccc1 ZINC000284960386 427201466 /nfs/dbraw/zinc/20/14/66/427201466.db2.gz ZVHBOPGGRONZRE-FQEVSTJZSA-N 1 3 315.505 2.721 20 0 DFADHO CN1CCC[C@H]2C[N@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000253554259 427213395 /nfs/dbraw/zinc/21/33/95/427213395.db2.gz AZUZUBOHKMQSDS-MAUKXSAKSA-N 1 3 311.429 2.857 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000253554259 427213398 /nfs/dbraw/zinc/21/33/98/427213398.db2.gz AZUZUBOHKMQSDS-MAUKXSAKSA-N 1 3 311.429 2.857 20 0 DFADHO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000183199696 427220813 /nfs/dbraw/zinc/22/08/13/427220813.db2.gz BSAUCOLVGGGOKL-DOXZYTNZSA-N 1 3 312.461 2.999 20 0 DFADHO CC[NH+](CC)CCCN(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000338279933 427229908 /nfs/dbraw/zinc/22/99/08/427229908.db2.gz BPUTXBIHUUKMKE-LJQANCHMSA-N 1 3 303.494 2.925 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000285744916 427325122 /nfs/dbraw/zinc/32/51/22/427325122.db2.gz RIZZBIQRGBBLIU-HOCLYGCPSA-N 1 3 320.477 2.875 20 0 DFADHO CC(C)[C@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CCO1 ZINC000297297787 427391298 /nfs/dbraw/zinc/39/12/98/427391298.db2.gz AXXAUHWIZXRMMK-SJLPKXTDSA-N 1 3 303.450 2.844 20 0 DFADHO C[C@H]1CN(CCC[NH2+]CC2=Cc3ccccc3OC2)CCCO1 ZINC000277905799 427356807 /nfs/dbraw/zinc/35/68/07/427356807.db2.gz PFXAWCXMFBGMPE-INIZCTEOSA-N 1 3 316.445 2.553 20 0 DFADHO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCCN(CC)CC)C1 ZINC000191462661 427356884 /nfs/dbraw/zinc/35/68/84/427356884.db2.gz CEDKHAJYSHOWLA-IAGOWNOFSA-N 1 3 311.514 2.735 20 0 DFADHO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCCN(CC)CC)C1 ZINC000191462661 427356890 /nfs/dbraw/zinc/35/68/90/427356890.db2.gz CEDKHAJYSHOWLA-IAGOWNOFSA-N 1 3 311.514 2.735 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CSC2(C)C)[C@H](C)C1 ZINC000338785126 427487898 /nfs/dbraw/zinc/48/78/98/427487898.db2.gz JMDLNFFNCCXSDA-ILXRZTDVSA-N 1 3 300.512 2.607 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CSC2(C)C)[C@H](C)C1 ZINC000338785126 427487902 /nfs/dbraw/zinc/48/79/02/427487902.db2.gz JMDLNFFNCCXSDA-ILXRZTDVSA-N 1 3 300.512 2.607 20 0 DFADHO Cc1cncc([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000184416469 427457207 /nfs/dbraw/zinc/45/72/07/427457207.db2.gz IMYKNRXMWCRKBQ-MNEFBYGVSA-N 1 3 317.477 2.809 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCN(Cc4ccccc4)C3)CC[C@H]21 ZINC000271252646 427467147 /nfs/dbraw/zinc/46/71/47/427467147.db2.gz FWYBISBXNWNNKW-VAMGGRTRSA-N 1 3 313.489 2.677 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN([C@@H]3CCN(Cc4ccccc4)C3)CC[C@H]21 ZINC000271252646 427467155 /nfs/dbraw/zinc/46/71/55/427467155.db2.gz FWYBISBXNWNNKW-VAMGGRTRSA-N 1 3 313.489 2.677 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000192037994 427467977 /nfs/dbraw/zinc/46/79/77/427467977.db2.gz RCTJKCJZHFLLBV-KRWDZBQOSA-N 1 3 312.461 2.954 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000192037994 427467981 /nfs/dbraw/zinc/46/79/81/427467981.db2.gz RCTJKCJZHFLLBV-KRWDZBQOSA-N 1 3 312.461 2.954 20 0 DFADHO O[C@@H](CN[C@H](Cc1ccccc1Cl)C1CC1)C[NH+]1CCCC1 ZINC000293785117 427436993 /nfs/dbraw/zinc/43/69/93/427436993.db2.gz QJUZPWPPICHSQA-FUHWJXTLSA-N 1 3 322.880 2.707 20 0 DFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1OC ZINC000293815205 427447277 /nfs/dbraw/zinc/44/72/77/427447277.db2.gz VTJQGOKTGYZFLS-RBSFLKMASA-N 1 3 308.466 2.983 20 0 DFADHO CC(C)C[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000184571354 427490962 /nfs/dbraw/zinc/49/09/62/427490962.db2.gz XZKXUZQDKDDJQP-SFHVURJKSA-N 1 3 319.493 2.772 20 0 DFADHO CC(C)C[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000184571354 427490968 /nfs/dbraw/zinc/49/09/68/427490968.db2.gz XZKXUZQDKDDJQP-SFHVURJKSA-N 1 3 319.493 2.772 20 0 DFADHO CC(C)[NH2+]C1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271365955 427511347 /nfs/dbraw/zinc/51/13/47/427511347.db2.gz OHZCSYLRWUCKHI-IBGZPJMESA-N 1 3 301.478 2.723 20 0 DFADHO CC(C)Oc1ccc([C@H](CNC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000287002881 427552131 /nfs/dbraw/zinc/55/21/31/427552131.db2.gz KDZRTHNHGSONTG-IBGZPJMESA-N 1 3 319.493 2.760 20 0 DFADHO CC(C)Oc1ccc([C@@H](CNC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000287002882 427553247 /nfs/dbraw/zinc/55/32/47/427553247.db2.gz KDZRTHNHGSONTG-LJQANCHMSA-N 1 3 319.493 2.760 20 0 DFADHO Cc1ccncc1[C@H](C)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000271485634 427558803 /nfs/dbraw/zinc/55/88/03/427558803.db2.gz IXCKUQXTLDNIEC-JKSUJKDBSA-N 1 3 303.450 2.542 20 0 DFADHO C[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000192536422 427560903 /nfs/dbraw/zinc/56/09/03/427560903.db2.gz DGNUVCQUAIFKPL-WDSOQIARSA-N 1 3 302.462 2.566 20 0 DFADHO Cc1ccccc1[C@H](O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298324565 427573405 /nfs/dbraw/zinc/57/34/05/427573405.db2.gz INVUBPBPSBAROW-LJQANCHMSA-N 1 3 311.429 2.682 20 0 DFADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308311 427574054 /nfs/dbraw/zinc/57/40/54/427574054.db2.gz CVEKPHOUQDBTRH-JKSUJKDBSA-N 1 3 313.449 2.650 20 0 DFADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308311 427574061 /nfs/dbraw/zinc/57/40/61/427574061.db2.gz CVEKPHOUQDBTRH-JKSUJKDBSA-N 1 3 313.449 2.650 20 0 DFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308311 427574069 /nfs/dbraw/zinc/57/40/69/427574069.db2.gz CVEKPHOUQDBTRH-JKSUJKDBSA-N 1 3 313.449 2.650 20 0 DFADHO CCC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1cccnc1 ZINC000185013671 427577443 /nfs/dbraw/zinc/57/74/43/427577443.db2.gz FGRJIBFZROMSHS-GOSISDBHSA-N 1 3 304.482 2.540 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287550500 427633570 /nfs/dbraw/zinc/63/35/70/427633570.db2.gz AQYLWWUHHPEZAK-NVXWUHKLSA-N 1 3 310.869 2.517 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287550500 427633573 /nfs/dbraw/zinc/63/35/73/427633573.db2.gz AQYLWWUHHPEZAK-NVXWUHKLSA-N 1 3 310.869 2.517 20 0 DFADHO C(N[C@@H]1CCCC12CCCCC2)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333559872 427650184 /nfs/dbraw/zinc/65/01/84/427650184.db2.gz KTSUGKVYFQZFAY-OAHLLOKOSA-N 1 3 317.481 2.864 20 0 DFADHO C[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)[C@H]1CCCC[C@H]1C ZINC000333576715 427652942 /nfs/dbraw/zinc/65/29/42/427652942.db2.gz NFIHSRMNLPDRNZ-NFAWXSAZSA-N 1 3 305.470 2.576 20 0 DFADHO CN(CC[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000298574223 427653172 /nfs/dbraw/zinc/65/31/72/427653172.db2.gz XHXJSOZDQNDCMX-UHFFFAOYSA-N 1 3 324.472 2.772 20 0 DFADHO CCSc1cccc(C[NH2+]C2CCN(CCN(C)C)CC2)c1 ZINC000185462748 427656521 /nfs/dbraw/zinc/65/65/21/427656521.db2.gz RUBUIUQJNQBNRF-UHFFFAOYSA-N 1 3 321.534 2.914 20 0 DFADHO CC(C)(C)c1cn2c(n1)CC[C@H](N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000339068045 427659483 /nfs/dbraw/zinc/65/94/83/427659483.db2.gz JLUJRBNEGDCODF-PMPSAXMXSA-N 1 3 316.493 2.712 20 0 DFADHO CC(C)(C)c1cn2c(n1)CC[C@H](N[C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000339068045 427659486 /nfs/dbraw/zinc/65/94/86/427659486.db2.gz JLUJRBNEGDCODF-PMPSAXMXSA-N 1 3 316.493 2.712 20 0 DFADHO CCC[NH+]1CCC(CNCc2cnc(C(C)(C)C)nc2)CC1 ZINC000342723001 272046399 /nfs/dbraw/zinc/04/63/99/272046399.db2.gz DUNOEZAUWCTMSN-UHFFFAOYSA-N 1 3 304.482 2.986 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000295043617 427669224 /nfs/dbraw/zinc/66/92/24/427669224.db2.gz FBYGSVBYKFHBKR-CVEARBPZSA-N 1 3 303.450 2.903 20 0 DFADHO CO[C@H](C)CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000295053174 427674383 /nfs/dbraw/zinc/67/43/83/427674383.db2.gz PTLVHFBHZQXCLX-QXCFHYIPSA-N 1 3 302.462 2.912 20 0 DFADHO C[C@H]1CN(CCCc2ccsc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000343719587 272207908 /nfs/dbraw/zinc/20/79/08/272207908.db2.gz KWEBTADATICQST-INIZCTEOSA-N 1 3 321.534 2.781 20 0 DFADHO C[C@H]1CN(CCCc2ccsc2)CC[N@H+]1C1CCN(C)CC1 ZINC000343719587 272207910 /nfs/dbraw/zinc/20/79/10/272207910.db2.gz KWEBTADATICQST-INIZCTEOSA-N 1 3 321.534 2.781 20 0 DFADHO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ccc(-n3ccnc3C)c(F)c2)C1 ZINC000343730872 272209592 /nfs/dbraw/zinc/20/95/92/272209592.db2.gz FGEFFHAMCDQFJA-DYVFJYSZSA-N 1 3 316.424 2.750 20 0 DFADHO CC[N@H+]1C[C@@H](C)[C@@H](NCc2ccc(-n3ccnc3C)c(F)c2)C1 ZINC000343730872 272209593 /nfs/dbraw/zinc/20/95/93/272209593.db2.gz FGEFFHAMCDQFJA-DYVFJYSZSA-N 1 3 316.424 2.750 20 0 DFADHO C[C@H](c1cccc(F)c1)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343730544 272209725 /nfs/dbraw/zinc/20/97/25/272209725.db2.gz OLNUXJWITQRVDX-JKSUJKDBSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@H](c1cccc(F)c1)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343730544 272209727 /nfs/dbraw/zinc/20/97/27/272209727.db2.gz OLNUXJWITQRVDX-JKSUJKDBSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@H](c1cccc(F)c1)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343730544 272209729 /nfs/dbraw/zinc/20/97/29/272209729.db2.gz OLNUXJWITQRVDX-JKSUJKDBSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343888290 272232040 /nfs/dbraw/zinc/23/20/40/272232040.db2.gz OWVGMMHJUNTLJL-MDZRGWNJSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343888290 272232042 /nfs/dbraw/zinc/23/20/42/272232042.db2.gz OWVGMMHJUNTLJL-MDZRGWNJSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343921981 272238040 /nfs/dbraw/zinc/23/80/40/272238040.db2.gz JQDOKTPKIWYFHI-MDZRGWNJSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@H](c1ccccc1F)[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343921981 272238043 /nfs/dbraw/zinc/23/80/43/272238043.db2.gz JQDOKTPKIWYFHI-MDZRGWNJSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccncc1OCCN(C)C ZINC000343920961 272238222 /nfs/dbraw/zinc/23/82/22/272238222.db2.gz DJQKNZAXOQIIIJ-HUUCEWRRSA-N 1 3 305.466 2.936 20 0 DFADHO COc1cccc([C@H](C)[N@H+](C)CCCN(C)CCN(C)C)c1 ZINC000344028080 272251350 /nfs/dbraw/zinc/25/13/50/272251350.db2.gz MGIFAJWYBDUIMI-INIZCTEOSA-N 1 3 307.482 2.572 20 0 DFADHO COc1cccc([C@H](C)[N@@H+](C)CCCN(C)CCN(C)C)c1 ZINC000344028080 272251352 /nfs/dbraw/zinc/25/13/52/272251352.db2.gz MGIFAJWYBDUIMI-INIZCTEOSA-N 1 3 307.482 2.572 20 0 DFADHO Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(CN(C)C)c1 ZINC000344208298 272287037 /nfs/dbraw/zinc/28/70/37/272287037.db2.gz UHIICTAKGAPMRM-HUUCEWRRSA-N 1 3 303.450 2.725 20 0 DFADHO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(CN(C)C)c1 ZINC000344208298 272287038 /nfs/dbraw/zinc/28/70/38/272287038.db2.gz UHIICTAKGAPMRM-HUUCEWRRSA-N 1 3 303.450 2.725 20 0 DFADHO CCC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cccnc1 ZINC000185647697 427686645 /nfs/dbraw/zinc/68/66/45/427686645.db2.gz NOWSSWVXTSBHBZ-GOSISDBHSA-N 1 3 304.482 2.538 20 0 DFADHO CO[C@H](c1ccccc1)[C@@H](C)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000279609511 427712988 /nfs/dbraw/zinc/71/29/88/427712988.db2.gz XFRVBZGETSUNNF-LMMKCTJWSA-N 1 3 320.477 2.853 20 0 DFADHO CO[C@H](c1ccccc1)[C@@H](C)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000279609511 427712992 /nfs/dbraw/zinc/71/29/92/427712992.db2.gz XFRVBZGETSUNNF-LMMKCTJWSA-N 1 3 320.477 2.853 20 0 DFADHO COCCC[NH+]1CCC(N[C@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000279744295 427718304 /nfs/dbraw/zinc/71/83/04/427718304.db2.gz PHFJOJVUOVCDNF-APWZRJJASA-N 1 3 320.477 2.853 20 0 DFADHO CCN1CC[C@H]([N@H+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@H]1C ZINC000336871833 427768438 /nfs/dbraw/zinc/76/84/38/427768438.db2.gz NIHCOZVZCQWWTA-CJNGLKHVSA-N 1 3 315.465 2.581 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@H]1C ZINC000336871833 427768439 /nfs/dbraw/zinc/76/84/39/427768439.db2.gz NIHCOZVZCQWWTA-CJNGLKHVSA-N 1 3 315.465 2.581 20 0 DFADHO [NH3+]CCCOC1CCN(Cc2ccc(OCC3CC3)cc2)CC1 ZINC000339405553 427768645 /nfs/dbraw/zinc/76/86/45/427768645.db2.gz BTHVPANRHFAIBW-UHFFFAOYSA-N 1 3 318.461 2.805 20 0 DFADHO c1ccc(C[N@H+]2CC[C@@H]3CN(CCOCC4CC4)C[C@@H]3C2)cc1 ZINC000336713820 427748828 /nfs/dbraw/zinc/74/88/28/427748828.db2.gz NRZVKIUZBOWVJX-UXHICEINSA-N 1 3 314.473 2.867 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(CCOCC4CC4)C[C@@H]3C2)cc1 ZINC000336713820 427748831 /nfs/dbraw/zinc/74/88/31/427748831.db2.gz NRZVKIUZBOWVJX-UXHICEINSA-N 1 3 314.473 2.867 20 0 DFADHO c1ccc(CN2CC[C@@H](C[NH2+]C3CCN(C4CC4)CC3)C2)cc1 ZINC000336716841 427750747 /nfs/dbraw/zinc/75/07/47/427750747.db2.gz PPZLGUZVNCJSNY-SFHVURJKSA-N 1 3 313.489 2.725 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C[C@](C)(O)C(F)(F)F)CC1 ZINC000337140533 427805136 /nfs/dbraw/zinc/80/51/36/427805136.db2.gz RFRGYHGDJNVDHG-AWEZNQCLSA-N 1 3 310.404 2.744 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C[C@](C)(O)C(F)(F)F)CC1 ZINC000337140533 427805137 /nfs/dbraw/zinc/80/51/37/427805137.db2.gz RFRGYHGDJNVDHG-AWEZNQCLSA-N 1 3 310.404 2.744 20 0 DFADHO CCSc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000339685719 427811353 /nfs/dbraw/zinc/81/13/53/427811353.db2.gz GGZJVCUPCCRCSJ-GOEBONIOSA-N 1 3 308.491 2.906 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000339714141 427816637 /nfs/dbraw/zinc/81/66/37/427816637.db2.gz AYBRYUPFWRXOCX-MSOLQXFVSA-N 1 3 307.526 2.913 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000339714141 427816639 /nfs/dbraw/zinc/81/66/39/427816639.db2.gz AYBRYUPFWRXOCX-MSOLQXFVSA-N 1 3 307.526 2.913 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000337312985 427838867 /nfs/dbraw/zinc/83/88/67/427838867.db2.gz GEANXUKVDDGIKU-QGZVFWFLSA-N 1 3 319.493 2.762 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H]1CCCOc2ccc(F)cc21 ZINC000349674519 427841085 /nfs/dbraw/zinc/84/10/85/427841085.db2.gz ZBPZCGMSEQGLSH-KRWDZBQOSA-N 1 3 324.440 2.987 20 0 DFADHO CC(C)OC[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000337321642 427844232 /nfs/dbraw/zinc/84/42/32/427844232.db2.gz ZOYYTHCKJYASJT-LPHOPBHVSA-N 1 3 320.477 2.546 20 0 DFADHO CC(C)OC[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000337321642 427844238 /nfs/dbraw/zinc/84/42/38/427844238.db2.gz ZOYYTHCKJYASJT-LPHOPBHVSA-N 1 3 320.477 2.546 20 0 DFADHO CCc1c(C)[nH+]c2ccccc2c1N1CCO[C@@H](CN(C)C)C1 ZINC000302055687 427850535 /nfs/dbraw/zinc/85/05/35/427850535.db2.gz QKLGJNYPZXRHBD-HNNXBMFYSA-N 1 3 313.445 2.872 20 0 DFADHO CC[C@H](Cn1cncn1)NCc1ccccc1C[N@H+](C)C(C)C ZINC000340461600 427854660 /nfs/dbraw/zinc/85/46/60/427854660.db2.gz KIROTCLLNBSNOQ-GOSISDBHSA-N 1 3 315.465 2.687 20 0 DFADHO CC[C@H](Cn1cncn1)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000340461600 427854663 /nfs/dbraw/zinc/85/46/63/427854663.db2.gz KIROTCLLNBSNOQ-GOSISDBHSA-N 1 3 315.465 2.687 20 0 DFADHO C[C@@H](CC[NH2+]C1CCN(CC(F)F)CC1)N1CCCCC1 ZINC000346265508 272608776 /nfs/dbraw/zinc/60/87/76/272608776.db2.gz HGPCMHKHSNIWBJ-AWEZNQCLSA-N 1 3 303.441 2.570 20 0 DFADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cccc(CN(C)C)c1 ZINC000355814210 427906169 /nfs/dbraw/zinc/90/61/69/427906169.db2.gz SUMQGQWAWWTVFT-HOTGVXAUSA-N 1 3 317.477 2.741 20 0 DFADHO CC[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)N(CC)CC ZINC000345790792 427908621 /nfs/dbraw/zinc/90/86/21/427908621.db2.gz FTAMJQSNVMRJEF-KRWDZBQOSA-N 1 3 311.514 2.735 20 0 DFADHO CC[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N(CC)CC ZINC000345808973 427914994 /nfs/dbraw/zinc/91/49/94/427914994.db2.gz SYLCJXNFENRSID-HOTGVXAUSA-N 1 3 311.514 2.734 20 0 DFADHO CC[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N(CC)CC ZINC000345808973 427914999 /nfs/dbraw/zinc/91/49/99/427914999.db2.gz SYLCJXNFENRSID-HOTGVXAUSA-N 1 3 311.514 2.734 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340256422 427968311 /nfs/dbraw/zinc/96/83/11/427968311.db2.gz HQBXSORAQGAZAD-XYPHTWIQSA-N 1 3 304.434 2.997 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340256422 427968315 /nfs/dbraw/zinc/96/83/15/427968315.db2.gz HQBXSORAQGAZAD-XYPHTWIQSA-N 1 3 304.434 2.997 20 0 DFADHO CC(C)N(C)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000359641231 427950652 /nfs/dbraw/zinc/95/06/52/427950652.db2.gz MVQXSNUGZQDNRG-PKOBYXMFSA-N 1 3 318.509 2.612 20 0 DFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccncc1F ZINC000340207858 427953168 /nfs/dbraw/zinc/95/31/68/427953168.db2.gz YODADNWTHZCKSE-KFWWJZLASA-N 1 3 309.429 2.761 20 0 DFADHO CC(C)[C@H]1C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000346127538 428028409 /nfs/dbraw/zinc/02/84/09/428028409.db2.gz IFXQXEAYEJORHU-BRSBDYLESA-N 1 3 312.498 2.669 20 0 DFADHO C[C@H](CN1CCCCC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000359845956 428044766 /nfs/dbraw/zinc/04/47/66/428044766.db2.gz CJILJGOQTIMTJZ-SJORKVTESA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](CN1CCCCC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359845956 428044772 /nfs/dbraw/zinc/04/47/72/428044772.db2.gz CJILJGOQTIMTJZ-SJORKVTESA-N 1 3 321.509 2.632 20 0 DFADHO CN(C)C1(C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)CCC1 ZINC000340361089 427998057 /nfs/dbraw/zinc/99/80/57/427998057.db2.gz ZSMKGUFYQJCMIJ-ZWKOTPCHSA-N 1 3 301.478 2.896 20 0 DFADHO COc1cc2nccc(N[C@H]3CCC[N@H+](C)[C@H]3C)c2cc1OC ZINC000413233382 427998222 /nfs/dbraw/zinc/99/82/22/427998222.db2.gz DFIJDQHLSFGCLA-JSGCOSHPSA-N 1 3 315.417 2.569 20 0 DFADHO COc1cc2nccc(N[C@H]3CCC[N@@H+](C)[C@H]3C)c2cc1OC ZINC000413233382 427998229 /nfs/dbraw/zinc/99/82/29/427998229.db2.gz DFIJDQHLSFGCLA-JSGCOSHPSA-N 1 3 315.417 2.569 20 0 DFADHO C[N@@H+]1CC[C@@H](NCCOC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340364924 428001890 /nfs/dbraw/zinc/00/18/90/428001890.db2.gz GDRJHVYORVLJBL-KGLIPLIRSA-N 1 3 302.340 2.948 20 0 DFADHO C[N@H+]1CC[C@@H](NCCOC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340364924 428001898 /nfs/dbraw/zinc/00/18/98/428001898.db2.gz GDRJHVYORVLJBL-KGLIPLIRSA-N 1 3 302.340 2.948 20 0 DFADHO CCc1noc(C2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)n1 ZINC000369834750 428074105 /nfs/dbraw/zinc/07/41/05/428074105.db2.gz LGFYCBJEVNMUTR-QDIHITRGSA-N 1 3 318.465 2.875 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212305 428074164 /nfs/dbraw/zinc/07/41/64/428074164.db2.gz QCZGTFSNRFCPKG-LSDHHAIUSA-N 1 3 304.438 2.611 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212305 428074169 /nfs/dbraw/zinc/07/41/69/428074169.db2.gz QCZGTFSNRFCPKG-LSDHHAIUSA-N 1 3 304.438 2.611 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccccc2)CCN1C ZINC000369851617 428075953 /nfs/dbraw/zinc/07/59/53/428075953.db2.gz KFIOUIATGOGDEN-QXCFHYIPSA-N 1 3 301.478 2.752 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000360016437 428117320 /nfs/dbraw/zinc/11/73/20/428117320.db2.gz MHGAEMMJKQBTSV-RDJZCZTQSA-N 1 3 318.461 2.662 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000360016437 428117323 /nfs/dbraw/zinc/11/73/23/428117323.db2.gz MHGAEMMJKQBTSV-RDJZCZTQSA-N 1 3 318.461 2.662 20 0 DFADHO C[C@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(C)(C)n1cncn1 ZINC000377394056 428121412 /nfs/dbraw/zinc/12/14/12/428121412.db2.gz SRVCSUKEHKLKLK-DOTOQJQBSA-N 1 3 319.497 2.788 20 0 DFADHO C[C@H](NC[C@H]1CCC[N@H+]1C1CCCCC1)C(C)(C)n1cncn1 ZINC000377394056 428121414 /nfs/dbraw/zinc/12/14/14/428121414.db2.gz SRVCSUKEHKLKLK-DOTOQJQBSA-N 1 3 319.497 2.788 20 0 DFADHO CCC[N@@H+]1CC[C@H](CNCc2ccccc2-c2ccnn2C)C1 ZINC000352211927 428131096 /nfs/dbraw/zinc/13/10/96/428131096.db2.gz MQMZJKCSPIHBRT-MRXNPFEDSA-N 1 3 312.461 2.909 20 0 DFADHO CCC[N@H+]1CC[C@H](CNCc2ccccc2-c2ccnn2C)C1 ZINC000352211927 428131100 /nfs/dbraw/zinc/13/11/00/428131100.db2.gz MQMZJKCSPIHBRT-MRXNPFEDSA-N 1 3 312.461 2.909 20 0 DFADHO CCCN1CC[C@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352211927 428131106 /nfs/dbraw/zinc/13/11/06/428131106.db2.gz MQMZJKCSPIHBRT-MRXNPFEDSA-N 1 3 312.461 2.909 20 0 DFADHO Cn1cc(-c2ccc(CN3CCCC[C@H]3CC[NH3+])s2)cn1 ZINC000352546404 428144015 /nfs/dbraw/zinc/14/40/15/428144015.db2.gz USOMLKXMCUSLBY-AWEZNQCLSA-N 1 3 304.463 2.852 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000346387865 428151074 /nfs/dbraw/zinc/15/10/74/428151074.db2.gz OSQRMTOIHXPNMR-MAUKXSAKSA-N 1 3 317.477 2.693 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000346387865 428151079 /nfs/dbraw/zinc/15/10/79/428151079.db2.gz OSQRMTOIHXPNMR-MAUKXSAKSA-N 1 3 317.477 2.693 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000346387869 428151438 /nfs/dbraw/zinc/15/14/38/428151438.db2.gz OSQRMTOIHXPNMR-YJBOKZPZSA-N 1 3 317.477 2.693 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000346387869 428151440 /nfs/dbraw/zinc/15/14/40/428151440.db2.gz OSQRMTOIHXPNMR-YJBOKZPZSA-N 1 3 317.477 2.693 20 0 DFADHO C[N@H+](CC[C@@H]1CCCO1)[C@@H]1CCCN(CC[C@H]2CCCO2)CC1 ZINC000346424553 428165746 /nfs/dbraw/zinc/16/57/46/428165746.db2.gz CTIATEXLQDMEDU-CEXWTWQISA-N 1 3 324.509 2.911 20 0 DFADHO C[N@@H+](CC[C@@H]1CCCO1)[C@@H]1CCCN(CC[C@H]2CCCO2)CC1 ZINC000346424553 428165749 /nfs/dbraw/zinc/16/57/49/428165749.db2.gz CTIATEXLQDMEDU-CEXWTWQISA-N 1 3 324.509 2.911 20 0 DFADHO CN(CC[C@@H]1CCCO1)[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)CC1 ZINC000346424553 428165755 /nfs/dbraw/zinc/16/57/55/428165755.db2.gz CTIATEXLQDMEDU-CEXWTWQISA-N 1 3 324.509 2.911 20 0 DFADHO CN(CC[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)CC1 ZINC000346424553 428165758 /nfs/dbraw/zinc/16/57/58/428165758.db2.gz CTIATEXLQDMEDU-CEXWTWQISA-N 1 3 324.509 2.911 20 0 DFADHO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000377622475 428173685 /nfs/dbraw/zinc/17/36/85/428173685.db2.gz GRRUUWWTUQBPGQ-IBGZPJMESA-N 1 3 301.478 2.595 20 0 DFADHO Cc1ccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000377622475 428173689 /nfs/dbraw/zinc/17/36/89/428173689.db2.gz GRRUUWWTUQBPGQ-IBGZPJMESA-N 1 3 301.478 2.595 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000414110573 428208917 /nfs/dbraw/zinc/20/89/17/428208917.db2.gz ICNNAIUFIPRLRD-GOEBONIOSA-N 1 3 303.450 2.628 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CC[N@H+](C3CCCC3)C2)cn1 ZINC000414110573 428208926 /nfs/dbraw/zinc/20/89/26/428208926.db2.gz ICNNAIUFIPRLRD-GOEBONIOSA-N 1 3 303.450 2.628 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@H]1CCCO1 ZINC000346565408 428221186 /nfs/dbraw/zinc/22/11/86/428221186.db2.gz SGONGXINHZEMJZ-YTQUADARSA-N 1 3 302.462 2.708 20 0 DFADHO C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCO1 ZINC000346565408 428221191 /nfs/dbraw/zinc/22/11/91/428221191.db2.gz SGONGXINHZEMJZ-YTQUADARSA-N 1 3 302.462 2.708 20 0 DFADHO C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCCO1 ZINC000346565408 428221198 /nfs/dbraw/zinc/22/11/98/428221198.db2.gz SGONGXINHZEMJZ-YTQUADARSA-N 1 3 302.462 2.708 20 0 DFADHO CCN1CCN(CCC[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000352766534 428238285 /nfs/dbraw/zinc/23/82/85/428238285.db2.gz XRSYQTQDVMGOLM-HWKANZROSA-N 1 3 323.431 2.595 20 0 DFADHO C[C@@H]1C[C@@H](NCCc2cnccn2)CC[N@@H+]1Cc1ccccc1 ZINC000341875335 428239672 /nfs/dbraw/zinc/23/96/72/428239672.db2.gz LFYKZRFTVJHXFG-AEFFLSMTSA-N 1 3 310.445 2.662 20 0 DFADHO C[C@@H]1C[C@@H](NCCc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC000341875335 428239678 /nfs/dbraw/zinc/23/96/78/428239678.db2.gz LFYKZRFTVJHXFG-AEFFLSMTSA-N 1 3 310.445 2.662 20 0 DFADHO COc1ccc(C[C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000414065031 428196761 /nfs/dbraw/zinc/19/67/61/428196761.db2.gz ODQZHYDQWJJXHD-ZDUSSCGKSA-N 1 3 305.466 2.920 20 0 DFADHO CN(Cc1ccc(F)nc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377695020 428197812 /nfs/dbraw/zinc/19/78/12/428197812.db2.gz LRCGYIGRGAAPKL-UHFFFAOYSA-N 1 3 300.381 2.717 20 0 DFADHO c1cnn(CCN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000370652884 428263759 /nfs/dbraw/zinc/26/37/59/428263759.db2.gz VVNXOMVHNYZDRP-UHFFFAOYSA-N 1 3 324.472 2.871 20 0 DFADHO c1cnn(CCN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000370652884 428263763 /nfs/dbraw/zinc/26/37/63/428263763.db2.gz VVNXOMVHNYZDRP-UHFFFAOYSA-N 1 3 324.472 2.871 20 0 DFADHO Cc1occc1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000414378676 428276688 /nfs/dbraw/zinc/27/66/88/428276688.db2.gz HHTLNIVIZBNZKZ-HUUCEWRRSA-N 1 3 306.450 2.909 20 0 DFADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(COCCOC)cc2)C1 ZINC000342028921 428281964 /nfs/dbraw/zinc/28/19/64/428281964.db2.gz SEMXUQLROPCQBS-IBGZPJMESA-N 1 3 320.477 2.671 20 0 DFADHO CC1CCC([NH+]2CCC(N(C)C(=O)[C@H]3CCCCN3)CC2)CC1 ZINC000370766090 428294932 /nfs/dbraw/zinc/29/49/32/428294932.db2.gz JOPALDSGYSQVQX-VMWRSERWSA-N 1 3 321.509 2.630 20 0 DFADHO CCN1CCC([NH2+]C[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000346741903 428296791 /nfs/dbraw/zinc/29/67/91/428296791.db2.gz SWXJXGLXJZMVJE-KRWDZBQOSA-N 1 3 305.466 2.881 20 0 DFADHO CN1CC[C@H]([NH2+]CCOc2ncccc2Cl)[C@@H]2CCC[C@H]21 ZINC000370586052 428246488 /nfs/dbraw/zinc/24/64/88/428246488.db2.gz ZXPMRUSUPKEFJF-AEGPPILISA-N 1 3 309.841 2.576 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOc2ncccc2Cl)[C@@H]2CCC[C@H]21 ZINC000370586052 428246493 /nfs/dbraw/zinc/24/64/93/428246493.db2.gz ZXPMRUSUPKEFJF-AEGPPILISA-N 1 3 309.841 2.576 20 0 DFADHO C[N@H+]1CC[C@H](NCCOc2ncccc2Cl)[C@@H]2CCC[C@H]21 ZINC000370586052 428246497 /nfs/dbraw/zinc/24/64/97/428246497.db2.gz ZXPMRUSUPKEFJF-AEGPPILISA-N 1 3 309.841 2.576 20 0 DFADHO Cc1cc(CNCC2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000414314073 428258961 /nfs/dbraw/zinc/25/89/61/428258961.db2.gz ZKCYXQBZBWSZGC-UHFFFAOYSA-N 1 3 312.461 2.730 20 0 DFADHO CCN1CC[C@H]([NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000414330926 428261637 /nfs/dbraw/zinc/26/16/37/428261637.db2.gz CKUQEFACDPWXJH-PXNSSMCTSA-N 1 3 315.505 2.766 20 0 DFADHO CCN1CC[C@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000414330926 428261642 /nfs/dbraw/zinc/26/16/42/428261642.db2.gz CKUQEFACDPWXJH-PXNSSMCTSA-N 1 3 315.505 2.766 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000370879053 428313318 /nfs/dbraw/zinc/31/33/18/428313318.db2.gz LAMKOGNFAKQSRG-LMMKCTJWSA-N 1 3 305.510 2.810 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000370879053 428313320 /nfs/dbraw/zinc/31/33/20/428313320.db2.gz LAMKOGNFAKQSRG-LMMKCTJWSA-N 1 3 305.510 2.810 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCN(C)[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000346788172 428317202 /nfs/dbraw/zinc/31/72/02/428317202.db2.gz HBMGYFPBRQHICT-FCEWJHQRSA-N 1 3 319.493 2.760 20 0 DFADHO CC(C)(C[NH2+]C1CCN(c2ccncc2)CC1)OCC1CC1 ZINC000414498413 428320765 /nfs/dbraw/zinc/32/07/65/428320765.db2.gz AIMVDFNYRZYPQB-UHFFFAOYSA-N 1 3 303.450 2.845 20 0 DFADHO COC1(C)CCN(C/C=C\C[NH+]2CCC(C)(OC)CC2)CC1 ZINC000342156450 428326245 /nfs/dbraw/zinc/32/62/45/428326245.db2.gz PLEVJQXWGGHJKX-WAYWQWQTSA-N 1 3 310.482 2.544 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000356827249 428326480 /nfs/dbraw/zinc/32/64/80/428326480.db2.gz ZFIPPIBNPRKVRW-OAHLLOKOSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H](C(=O)N1CCCc2cc(C[NH3+])ccc21)[C@H](N)c1ccccc1 ZINC000378187084 428328958 /nfs/dbraw/zinc/32/89/58/428328958.db2.gz HDNPOQRIAOPUKR-KUHUBIRLSA-N 1 3 323.440 2.761 20 0 DFADHO C[C@H]([NH2+]CC[C@H]1CCOC1)c1cccc(OCCN(C)C)c1 ZINC000346877017 428355890 /nfs/dbraw/zinc/35/58/90/428355890.db2.gz RONJPKVFPYJJKM-HOTGVXAUSA-N 1 3 306.450 2.704 20 0 DFADHO CCOc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346841271 428341169 /nfs/dbraw/zinc/34/11/69/428341169.db2.gz GYXDZZWTTKLMLP-XHSDSOJGSA-N 1 3 304.434 2.653 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3c[nH]nc3-c3cccs3)C[C@H]21 ZINC000346840337 428342688 /nfs/dbraw/zinc/34/26/88/428342688.db2.gz ZXNBWLMIBYDNKD-MRVWCRGKSA-N 1 3 302.447 2.697 20 0 DFADHO COc1ccc(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)c(C)c1OC ZINC000342194158 428344007 /nfs/dbraw/zinc/34/40/07/428344007.db2.gz VRTRIZCEDZZQNL-HOTGVXAUSA-N 1 3 306.450 2.975 20 0 DFADHO CSc1ccc(OCCN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342101405 428300545 /nfs/dbraw/zinc/30/05/45/428300545.db2.gz KQMCOAXYHPJTPZ-IAOVAPTHSA-N 1 3 306.475 2.847 20 0 DFADHO Cc1cccc2c1ncc(C)c2NC[C@@H](O)C[NH+]1CCCCC1 ZINC000360666337 428390760 /nfs/dbraw/zinc/39/07/60/428390760.db2.gz OWGBWLIZIDZTSE-MRXNPFEDSA-N 1 3 313.445 2.532 20 0 DFADHO CC(C)[C@@H]([NH3+])CNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414795173 428414580 /nfs/dbraw/zinc/41/45/80/428414580.db2.gz MUATWNPSCUDFEP-INIZCTEOSA-N 1 3 323.868 2.518 20 0 DFADHO C[C@@H]1C[C@@H](CN2CCNC[C@@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414746365 428393007 /nfs/dbraw/zinc/39/30/07/428393007.db2.gz ZDSVMGOJXDWDQZ-JKIFEVAISA-N 1 3 307.869 2.674 20 0 DFADHO C[C@H](c1ccc(F)cc1)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000378436609 428395230 /nfs/dbraw/zinc/39/52/30/428395230.db2.gz QOKZQWSJEJTXHS-IAGOWNOFSA-N 1 3 319.468 2.846 20 0 DFADHO COc1ccc(C[N@H+](C[C@H](N)CC(C)C)[C@H](CO)C(C)C)cc1 ZINC000414757108 428395362 /nfs/dbraw/zinc/39/53/62/428395362.db2.gz KVTHNBKJUVMUAE-IEBWSBKVSA-N 1 3 322.493 2.888 20 0 DFADHO COc1ccc(C[N@@H+](C[C@H](N)CC(C)C)[C@H](CO)C(C)C)cc1 ZINC000414757108 428395368 /nfs/dbraw/zinc/39/53/68/428395368.db2.gz KVTHNBKJUVMUAE-IEBWSBKVSA-N 1 3 322.493 2.888 20 0 DFADHO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000378436610 428395709 /nfs/dbraw/zinc/39/57/09/428395709.db2.gz QOKZQWSJEJTXHS-IRXDYDNUSA-N 1 3 319.468 2.846 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(OCc2ccccn2)c1 ZINC000414791185 428414150 /nfs/dbraw/zinc/41/41/50/428414150.db2.gz HGWDTJXZNTWVMH-VQIMIIECSA-N 1 3 311.429 2.878 20 0 DFADHO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414764714 428398064 /nfs/dbraw/zinc/39/80/64/428398064.db2.gz OUFZBHXEKBYLMW-IKGGRYGDSA-N 1 3 317.477 2.526 20 0 DFADHO c1cc(-c2n[nH]cc2CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414774620 428400070 /nfs/dbraw/zinc/40/00/70/428400070.db2.gz FMZVKKUSAIMANY-KGLIPLIRSA-N 1 3 316.474 2.960 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NC2CC[NH2+]CC2)c(Cl)c1 ZINC000414773891 428402344 /nfs/dbraw/zinc/40/23/44/428402344.db2.gz AGFBSDOAMKZNLB-LBPRGKRZSA-N 1 3 309.841 2.707 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2CCNCC2)c(Cl)c1 ZINC000414773891 428402346 /nfs/dbraw/zinc/40/23/46/428402346.db2.gz AGFBSDOAMKZNLB-LBPRGKRZSA-N 1 3 309.841 2.707 20 0 DFADHO C[NH2+]CC1CCN(Cc2cc3c(cc2SC)OCCO3)CC1 ZINC000347005404 428405924 /nfs/dbraw/zinc/40/59/24/428405924.db2.gz PFTGYJBWBUXKOG-UHFFFAOYSA-N 1 3 322.474 2.611 20 0 DFADHO c1c(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000414789956 428409814 /nfs/dbraw/zinc/40/98/14/428409814.db2.gz ZCTUKYDKRXJXPW-DLBZAZTESA-N 1 3 310.445 2.898 20 0 DFADHO NC[C@H]1C[N@H+](CCCCOc2ccccc2)CC12CCOCC2 ZINC000414789678 428410141 /nfs/dbraw/zinc/41/01/41/428410141.db2.gz YLDQRYHQUJNNSZ-KRWDZBQOSA-N 1 3 318.461 2.533 20 0 DFADHO NC[C@H]1C[N@@H+](CCCCOc2ccccc2)CC12CCOCC2 ZINC000414789678 428410145 /nfs/dbraw/zinc/41/01/45/428410145.db2.gz YLDQRYHQUJNNSZ-KRWDZBQOSA-N 1 3 318.461 2.533 20 0 DFADHO CCC[N@H+](Cc1ccc(-n2cncn2)c(C)c1)C1CCNCC1 ZINC000347024789 428411322 /nfs/dbraw/zinc/41/13/22/428411322.db2.gz RJVNKQKOXZZITN-UHFFFAOYSA-N 1 3 313.449 2.540 20 0 DFADHO CCC[N@@H+](Cc1ccc(-n2cncn2)c(C)c1)C1CCNCC1 ZINC000347024789 428411326 /nfs/dbraw/zinc/41/13/26/428411326.db2.gz RJVNKQKOXZZITN-UHFFFAOYSA-N 1 3 313.449 2.540 20 0 DFADHO CCCN(Cc1ccc(-n2cncn2)c(C)c1)C1CC[NH2+]CC1 ZINC000347024789 428411331 /nfs/dbraw/zinc/41/13/31/428411331.db2.gz RJVNKQKOXZZITN-UHFFFAOYSA-N 1 3 313.449 2.540 20 0 DFADHO CC(C)c1ccccc1NC(=O)C[C@H](C)N[C@@H](C[NH3+])C1CC1 ZINC000414792022 428413355 /nfs/dbraw/zinc/41/33/55/428413355.db2.gz BUVFQRKUMQLYOU-GUYCJALGSA-N 1 3 303.450 2.854 20 0 DFADHO C[C@@H]1C[C@@H](CN2CCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414677345 428371922 /nfs/dbraw/zinc/37/19/22/428371922.db2.gz IZARNXULWRBIKM-WBVHZDCISA-N 1 3 321.896 2.846 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](CC)OC)CC1 ZINC000353070302 428373693 /nfs/dbraw/zinc/37/36/93/428373693.db2.gz HHVKJGAMLVUQDI-GOSISDBHSA-N 1 3 319.493 2.733 20 0 DFADHO Cc1cc(C)c(NC(=O)CN(C)C[C@H]2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000414675907 428374129 /nfs/dbraw/zinc/37/41/29/428374129.db2.gz MMZAUESVNINGBE-IRXDYDNUSA-N 1 3 317.477 2.870 20 0 DFADHO CCN(C[C@@H]1CC[N@H+](C[C@@H](N)CC(C)C)C1)CC(F)(F)F ZINC000414702563 428381109 /nfs/dbraw/zinc/38/11/09/428381109.db2.gz IQTLRDVBZQYEJU-KBPBESRZSA-N 1 3 309.420 2.566 20 0 DFADHO CCN(C[C@@H]1CC[N@@H+](C[C@@H](N)CC(C)C)C1)CC(F)(F)F ZINC000414702563 428381113 /nfs/dbraw/zinc/38/11/13/428381113.db2.gz IQTLRDVBZQYEJU-KBPBESRZSA-N 1 3 309.420 2.566 20 0 DFADHO COc1c(C)cnc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1C ZINC000357092764 428385072 /nfs/dbraw/zinc/38/50/72/428385072.db2.gz XLHCXSDLPBTCRN-INIZCTEOSA-N 1 3 303.450 2.529 20 0 DFADHO FC(F)Oc1ccc(CNCCC[NH2+]Cc2cccnc2)cc1 ZINC000414879609 428445285 /nfs/dbraw/zinc/44/52/85/428445285.db2.gz PGQWWPJKENBLHZ-UHFFFAOYSA-N 1 3 321.371 2.953 20 0 DFADHO COCCOC[C@H](C)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357241512 428450811 /nfs/dbraw/zinc/45/08/11/428450811.db2.gz XLJYWNRVKYSNNL-SCTDSRPQSA-N 1 3 320.477 2.538 20 0 DFADHO COCCOC[C@H](C)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357241512 428450818 /nfs/dbraw/zinc/45/08/18/428450818.db2.gz XLJYWNRVKYSNNL-SCTDSRPQSA-N 1 3 320.477 2.538 20 0 DFADHO COc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000414906945 428451315 /nfs/dbraw/zinc/45/13/15/428451315.db2.gz ABXNECBSJUTFJY-RYUDHWBXSA-N 1 3 313.239 2.817 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414906548 428451596 /nfs/dbraw/zinc/45/15/96/428451596.db2.gz MGXNWSSVSXUQCS-CXAGYDPISA-N 1 3 307.413 2.522 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414906548 428451603 /nfs/dbraw/zinc/45/16/03/428451603.db2.gz MGXNWSSVSXUQCS-CXAGYDPISA-N 1 3 307.413 2.522 20 0 DFADHO C[NH2+]CC1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000347115737 428454179 /nfs/dbraw/zinc/45/41/79/428454179.db2.gz VCXYEKIHFPRTIX-UHFFFAOYSA-N 1 3 302.447 2.637 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414920373 428456182 /nfs/dbraw/zinc/45/61/82/428456182.db2.gz ZEWUPMRDWNIBSZ-DYVFJYSZSA-N 1 3 307.413 2.522 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414920373 428456189 /nfs/dbraw/zinc/45/61/89/428456189.db2.gz ZEWUPMRDWNIBSZ-DYVFJYSZSA-N 1 3 307.413 2.522 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414920375 428456865 /nfs/dbraw/zinc/45/68/65/428456865.db2.gz ZEWUPMRDWNIBSZ-SUMWQHHRSA-N 1 3 307.413 2.522 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414920375 428456870 /nfs/dbraw/zinc/45/68/70/428456870.db2.gz ZEWUPMRDWNIBSZ-SUMWQHHRSA-N 1 3 307.413 2.522 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414927616 428458926 /nfs/dbraw/zinc/45/89/26/428458926.db2.gz MFUOPZBNBXPOLU-KDOFPFPSSA-N 1 3 321.896 2.892 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)N[C@H]1C[NH2+]CC[C@H]1C ZINC000414924243 428461304 /nfs/dbraw/zinc/46/13/04/428461304.db2.gz IMPLCBNKHAHOTI-BMFZPTHFSA-N 1 3 306.450 2.613 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)N[C@@H]1CCC[NH2+][C@H]1C ZINC000414936693 428464138 /nfs/dbraw/zinc/46/41/38/428464138.db2.gz DBVFCUBNAPPEBF-NUEKZKHPSA-N 1 3 306.450 2.755 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000414953419 428469089 /nfs/dbraw/zinc/46/90/89/428469089.db2.gz ROVWSUAUPSXDAR-OWCLPIDISA-N 1 3 303.450 2.751 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)c(C)c1 ZINC000414953419 428469093 /nfs/dbraw/zinc/46/90/93/428469093.db2.gz ROVWSUAUPSXDAR-OWCLPIDISA-N 1 3 303.450 2.751 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H]2CN)c1C ZINC000414809002 428417575 /nfs/dbraw/zinc/41/75/75/428417575.db2.gz SZYMIXDPALXEKP-QRTARXTBSA-N 1 3 303.450 2.738 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@H]2C[NH3+])c1C ZINC000414809002 428417584 /nfs/dbraw/zinc/41/75/84/428417584.db2.gz SZYMIXDPALXEKP-QRTARXTBSA-N 1 3 303.450 2.738 20 0 DFADHO CSc1cc(Br)ccc1C[NH2+][C@H](CN)C1CC1 ZINC000414812215 428417928 /nfs/dbraw/zinc/41/79/28/428417928.db2.gz XFUJGTLJHJIMSY-GFCCVEGCSA-N 1 3 315.280 2.998 20 0 DFADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414826060 428425375 /nfs/dbraw/zinc/42/53/75/428425375.db2.gz ICCPLZRZFNTOLE-PMRDEQMMSA-N 1 3 318.461 2.898 20 0 DFADHO Brc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000414826055 428425852 /nfs/dbraw/zinc/42/58/52/428425852.db2.gz IBTHKCNGEPYXRM-YIONKMFJSA-N 1 3 309.251 2.864 20 0 DFADHO CCCn1nc(C)c(CNCC2(SC)CC[NH+](C)CC2)c1C ZINC000353198327 428428978 /nfs/dbraw/zinc/42/89/78/428428978.db2.gz ZEQMYANRICATRA-UHFFFAOYSA-N 1 3 324.538 2.827 20 0 DFADHO CCCn1nc(C)c(C[NH2+]CC2(SC)CCN(C)CC2)c1C ZINC000353198327 428428982 /nfs/dbraw/zinc/42/89/82/428428982.db2.gz ZEQMYANRICATRA-UHFFFAOYSA-N 1 3 324.538 2.827 20 0 DFADHO CSC1(C[NH2+]Cc2cnc3ccc(C)cn23)CCN(C)CC1 ZINC000353211160 428432523 /nfs/dbraw/zinc/43/25/23/428432523.db2.gz NKWOOIQXGOKPLR-UHFFFAOYSA-N 1 3 318.490 2.560 20 0 DFADHO CSC1(CNCc2cnc3ccc(C)cn23)CC[NH+](C)CC1 ZINC000353211160 428432528 /nfs/dbraw/zinc/43/25/28/428432528.db2.gz NKWOOIQXGOKPLR-UHFFFAOYSA-N 1 3 318.490 2.560 20 0 DFADHO Cn1cc(-c2ccc(C[NH2+][C@H]3CCNCC3(C)C)s2)cn1 ZINC000414980048 428480125 /nfs/dbraw/zinc/48/01/25/428480125.db2.gz WGEQSLDUNARVRB-HNNXBMFYSA-N 1 3 304.463 2.626 20 0 DFADHO Cc1nn2c(CNCCC[C@H]3CCC[NH2+]3)c(C(C)C)nc2s1 ZINC000414979090 428480466 /nfs/dbraw/zinc/48/04/66/428480466.db2.gz USYCNQQCOPOHGP-ZDUSSCGKSA-N 1 3 321.494 2.844 20 0 DFADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000392196582 428480938 /nfs/dbraw/zinc/48/09/38/428480938.db2.gz DGQUMGAMOOATEW-CVEARBPZSA-N 1 3 323.481 2.674 20 0 DFADHO C[C@@H]([NH3+])[C@@H](C)N[C@H](C)Cc1ccc(Br)c(F)c1 ZINC000415004830 428487503 /nfs/dbraw/zinc/48/75/03/428487503.db2.gz AGLORDCIDWWMDE-OPRDCNLKSA-N 1 3 303.219 2.845 20 0 DFADHO Brc1ccccc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415006319 428487548 /nfs/dbraw/zinc/48/75/48/428487548.db2.gz KITZAHZWJJHPKW-DZGCQCFKSA-N 1 3 309.251 2.927 20 0 DFADHO COC(=O)c1ccc(Cl)c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415010861 428488323 /nfs/dbraw/zinc/48/83/23/428488323.db2.gz PZYDXSOEQJGGHQ-GOEBONIOSA-N 1 3 322.836 2.604 20 0 DFADHO Fc1cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1OC(F)F ZINC000415010487 428488912 /nfs/dbraw/zinc/48/89/12/428488912.db2.gz PHDLATKAEHRYQK-GXTWGEPZSA-N 1 3 314.351 2.905 20 0 DFADHO COc1ccc(Br)cc1CN[C@@H](C)CCC[NH3+] ZINC000415021761 428490102 /nfs/dbraw/zinc/49/01/02/428490102.db2.gz KOERRFFAPHBWLN-JTQLQIEISA-N 1 3 301.228 2.675 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCNC(C)(C)C2)cc1 ZINC000357340170 428491694 /nfs/dbraw/zinc/49/16/94/428491694.db2.gz DWXMTPKZPAROAQ-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCNC(C)(C)C2)cc1 ZINC000357340170 428491700 /nfs/dbraw/zinc/49/17/00/428491700.db2.gz DWXMTPKZPAROAQ-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CNCCCO2)cc1 ZINC000415037306 428494860 /nfs/dbraw/zinc/49/48/60/428494860.db2.gz KWMZGITXGWYXME-ULQDDVLXSA-N 1 3 308.853 2.944 20 0 DFADHO Clc1ccc([C@@H]2CCC[C@@H]2NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415037306 428494861 /nfs/dbraw/zinc/49/48/61/428494861.db2.gz KWMZGITXGWYXME-ULQDDVLXSA-N 1 3 308.853 2.944 20 0 DFADHO CC(C)N(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000360933047 428497207 /nfs/dbraw/zinc/49/72/07/428497207.db2.gz IDNJGWJLJCIGHD-IEBWSBKVSA-N 1 3 303.494 2.827 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]CCCO2)C[C@@H](c2ccccc2)C1 ZINC000415041585 428497411 /nfs/dbraw/zinc/49/74/11/428497411.db2.gz PMVGKYFICYGNNJ-WNHJNPCNSA-N 1 3 302.462 2.927 20 0 DFADHO C[C@@H]1CN(Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@@]1(C)C[NH3+] ZINC000415050901 428501362 /nfs/dbraw/zinc/50/13/62/428501362.db2.gz DUFMHRKOBDVICR-ATZDWAIDSA-N 1 3 318.461 2.661 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@@]1(C)CN ZINC000415050901 428501368 /nfs/dbraw/zinc/50/13/68/428501368.db2.gz DUFMHRKOBDVICR-ATZDWAIDSA-N 1 3 318.461 2.661 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@@]1(C)CN ZINC000415050901 428501372 /nfs/dbraw/zinc/50/13/72/428501372.db2.gz DUFMHRKOBDVICR-ATZDWAIDSA-N 1 3 318.461 2.661 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000360948985 428504007 /nfs/dbraw/zinc/50/40/07/428504007.db2.gz XZRGRBGNKKMGIW-SOLBZPMBSA-N 1 3 321.534 2.890 20 0 DFADHO COc1cccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000415066246 428507525 /nfs/dbraw/zinc/50/75/25/428507525.db2.gz OGFKHZJAIJXMBR-CXAGYDPISA-N 1 3 319.449 2.519 20 0 DFADHO Fc1ccc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000415074876 428509411 /nfs/dbraw/zinc/50/94/11/428509411.db2.gz AYDBPFPXAXMCGG-BMFZPTHFSA-N 1 3 310.388 2.854 20 0 DFADHO C[C@H](NCC1(c2ccccc2Cl)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000415074949 428510853 /nfs/dbraw/zinc/51/08/53/428510853.db2.gz DCRMSGHTCIEMAA-LSDHHAIUSA-N 1 3 322.880 2.976 20 0 DFADHO CC(C)C[C@H](N)C[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000415078443 428512504 /nfs/dbraw/zinc/51/25/04/428512504.db2.gz GHKVCFQLUBOPIQ-RDJZCZTQSA-N 1 3 304.482 2.570 20 0 DFADHO CC(C)C[C@H]([NH3+])CNC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000415078443 428512508 /nfs/dbraw/zinc/51/25/08/428512508.db2.gz GHKVCFQLUBOPIQ-RDJZCZTQSA-N 1 3 304.482 2.570 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H]1C ZINC000397493315 428512766 /nfs/dbraw/zinc/51/27/66/428512766.db2.gz NBLYVDNRUPRSQS-SOLBZPMBSA-N 1 3 302.462 2.648 20 0 DFADHO C[NH+](C)C1(CNC(=O)[C@@H]2CCCCN2C2CCCC2)CCCC1 ZINC000343074796 428513752 /nfs/dbraw/zinc/51/37/52/428513752.db2.gz WYIWXKUJNOKVIU-KRWDZBQOSA-N 1 3 321.509 2.774 20 0 DFADHO c1nn(-c2ccccc2)cc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415078768 428513863 /nfs/dbraw/zinc/51/38/63/428513863.db2.gz GYEZOCOROHDESQ-ZCNNSNEGSA-N 1 3 324.472 2.925 20 0 DFADHO CC(C)CC(=O)N1CCC(N[C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000415085773 428515178 /nfs/dbraw/zinc/51/51/78/428515178.db2.gz QUZBRVMGWQKPEV-SJLPKXTDSA-N 1 3 323.525 2.924 20 0 DFADHO c1sc(CCCN[C@@H]2CCC[NH2+]CC2)nc1-c1ccncc1 ZINC000415087845 428515503 /nfs/dbraw/zinc/51/55/03/428515503.db2.gz VHBQPCFKZRNAFV-OAHLLOKOSA-N 1 3 316.474 2.869 20 0 DFADHO c1sc(CCC[NH2+][C@@H]2CCCNCC2)nc1-c1ccncc1 ZINC000415087845 428515508 /nfs/dbraw/zinc/51/55/08/428515508.db2.gz VHBQPCFKZRNAFV-OAHLLOKOSA-N 1 3 316.474 2.869 20 0 DFADHO Brc1cccc(C2(C[NH2+]C3CCNCC3)CC2)c1 ZINC000415103572 428521817 /nfs/dbraw/zinc/52/18/17/428521817.db2.gz KOVVMTZAFJREDX-UHFFFAOYSA-N 1 3 309.251 2.822 20 0 DFADHO Brc1cccc(C2(CNC3CC[NH2+]CC3)CC2)c1 ZINC000415103572 428521823 /nfs/dbraw/zinc/52/18/23/428521823.db2.gz KOVVMTZAFJREDX-UHFFFAOYSA-N 1 3 309.251 2.822 20 0 DFADHO CCN1CCN(c2ccc(N[C@@H](C)[C@@H]3CC[NH2+]C3)c(C)c2)CC1 ZINC000415111436 428523360 /nfs/dbraw/zinc/52/33/60/428523360.db2.gz BZFGUFOKHAIRPT-DLBZAZTESA-N 1 3 316.493 2.547 20 0 DFADHO Cc1ccc(F)c(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415124353 428529241 /nfs/dbraw/zinc/52/92/41/428529241.db2.gz MNWZWHWIEBHVMO-FUHWJXTLSA-N 1 3 306.425 2.852 20 0 DFADHO CCN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000390694455 428473910 /nfs/dbraw/zinc/47/39/10/428473910.db2.gz QZUUIDOFWBHLMA-UMQXSMKFSA-N 1 3 313.489 2.866 20 0 DFADHO CCN1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390694455 428473913 /nfs/dbraw/zinc/47/39/13/428473913.db2.gz QZUUIDOFWBHLMA-UMQXSMKFSA-N 1 3 313.489 2.866 20 0 DFADHO CCN1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390694455 428473916 /nfs/dbraw/zinc/47/39/16/428473916.db2.gz QZUUIDOFWBHLMA-UMQXSMKFSA-N 1 3 313.489 2.866 20 0 DFADHO CC[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)N(CC)CC ZINC000358123523 428582426 /nfs/dbraw/zinc/58/24/26/428582426.db2.gz MVWIQEPVDJLRFK-LZLYRXPVSA-N 1 3 323.525 2.876 20 0 DFADHO CC[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)N(CC)CC ZINC000358123523 428582430 /nfs/dbraw/zinc/58/24/30/428582430.db2.gz MVWIQEPVDJLRFK-LZLYRXPVSA-N 1 3 323.525 2.876 20 0 DFADHO Cc1cc(Cl)ccc1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415135559 428534992 /nfs/dbraw/zinc/53/49/92/428534992.db2.gz GFBKISVHUCQQNQ-SJORKVTESA-N 1 3 320.864 2.849 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])c1ccccc1 ZINC000399403697 428539829 /nfs/dbraw/zinc/53/98/29/428539829.db2.gz XDGPPGXFYNQQGK-NXHRZFHOSA-N 1 3 319.493 2.805 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@H](C)[NH3+] ZINC000399390330 428540246 /nfs/dbraw/zinc/54/02/46/428540246.db2.gz RZZSZPYBQUPREV-JQHSSLGASA-N 1 3 317.477 2.559 20 0 DFADHO COCCOc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353451521 428541476 /nfs/dbraw/zinc/54/14/76/428541476.db2.gz AEHZIOKUICFJSP-IPMKNSEASA-N 1 3 318.461 2.674 20 0 DFADHO COCCOc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353451521 428541481 /nfs/dbraw/zinc/54/14/81/428541481.db2.gz AEHZIOKUICFJSP-IPMKNSEASA-N 1 3 318.461 2.674 20 0 DFADHO COCCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000353451521 428541488 /nfs/dbraw/zinc/54/14/88/428541488.db2.gz AEHZIOKUICFJSP-IPMKNSEASA-N 1 3 318.461 2.674 20 0 DFADHO CC(C)[C@H](CN(C)Cc1ccccc1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400337552 428544284 /nfs/dbraw/zinc/54/42/84/428544284.db2.gz DRTCNDVXWIBTMX-WDSOQIARSA-N 1 3 303.494 2.731 20 0 DFADHO C[C@H](NCC1(N(C)Cc2ccccc2)CCC1)[C@@H]1CC[NH2+]C1 ZINC000400365878 428544644 /nfs/dbraw/zinc/54/46/44/428544644.db2.gz DZQUPNTVGNDDDB-FUHWJXTLSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@H](CC[NH+](C)C)N[C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400467582 428546097 /nfs/dbraw/zinc/54/60/97/428546097.db2.gz WQBDYFZCKTZTKX-QLFBSQMISA-N 1 3 313.486 2.704 20 0 DFADHO C[C@@H](CNC[C@@H](O)C[NH+]1CCC(C)CC1)Cc1ccccc1 ZINC000347334630 428550984 /nfs/dbraw/zinc/55/09/84/428550984.db2.gz RNICMNQDROLGJS-IEBWSBKVSA-N 1 3 304.478 2.548 20 0 DFADHO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc(OCCN(C)C)c1 ZINC000353489794 428561768 /nfs/dbraw/zinc/56/17/68/428561768.db2.gz JYRZATCEKPUJGW-KXBFYZLASA-N 1 3 320.477 2.829 20 0 DFADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000373392971 428565418 /nfs/dbraw/zinc/56/54/18/428565418.db2.gz KNAWYTMPEMHQNM-SQNIBIBYSA-N 1 3 307.526 2.959 20 0 DFADHO COc1cc(C)c(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000404365829 428569053 /nfs/dbraw/zinc/56/90/53/428569053.db2.gz HFSYXSWCEBVHKL-CJNGLKHVSA-N 1 3 306.450 2.962 20 0 DFADHO CSC1(CN[C@@H](C)c2cnn(C(C)C)c2)CC[NH+](C)CC1 ZINC000353610501 428620006 /nfs/dbraw/zinc/62/00/06/428620006.db2.gz NDSPPNLTKRJWAC-AWEZNQCLSA-N 1 3 310.511 2.942 20 0 DFADHO CSC1(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)CCN(C)CC1 ZINC000353610501 428620015 /nfs/dbraw/zinc/62/00/15/428620015.db2.gz NDSPPNLTKRJWAC-AWEZNQCLSA-N 1 3 310.511 2.942 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@@H]2CCC[C@H]21 ZINC000353611814 428620845 /nfs/dbraw/zinc/62/08/45/428620845.db2.gz FRLWAEZYGCOJMD-OKZBNKHCSA-N 1 3 315.461 2.975 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)N1CCCN(C(C)C)CC1 ZINC000415961645 428634590 /nfs/dbraw/zinc/63/45/90/428634590.db2.gz VYAIYYJXGRJSFK-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO COc1cccc(CN2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000362105428 428623186 /nfs/dbraw/zinc/62/31/86/428623186.db2.gz HMVNSMMCHUXSMJ-HNNXBMFYSA-N 1 3 315.461 2.787 20 0 DFADHO COc1cccc(CN2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000362105428 428623190 /nfs/dbraw/zinc/62/31/90/428623190.db2.gz HMVNSMMCHUXSMJ-HNNXBMFYSA-N 1 3 315.461 2.787 20 0 DFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358705416 428634710 /nfs/dbraw/zinc/63/47/10/428634710.db2.gz MFZJSFBRVPMQGE-IAGOWNOFSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000358722945 428642650 /nfs/dbraw/zinc/64/26/50/428642650.db2.gz LKWZEJBIGSLATK-LFGUQSLTSA-N 1 3 315.505 2.969 20 0 DFADHO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C)[C@@H]3CCC[C@H]31)CCO2 ZINC000353680450 274137855 /nfs/dbraw/zinc/13/78/55/274137855.db2.gz JTEUCXXDNVCZRE-DZOHQFGASA-N 1 3 316.445 2.981 20 0 DFADHO CC[NH+](CC)CCOC1CCN(Cc2cnccc2C)CC1 ZINC000353661808 428646320 /nfs/dbraw/zinc/64/63/20/428646320.db2.gz XRIKGBMNVLJHRS-UHFFFAOYSA-N 1 3 305.466 2.713 20 0 DFADHO CC[N@H+](CCC1CCN(CC(=O)N2CCCC2)CC1)CC(C)C ZINC000358734478 428649374 /nfs/dbraw/zinc/64/93/74/428649374.db2.gz DUIJXWVMIDNFLO-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO CC[N@@H+](CCC1CCN(CC(=O)N2CCCC2)CC1)CC(C)C ZINC000358734478 428649381 /nfs/dbraw/zinc/64/93/81/428649381.db2.gz DUIJXWVMIDNFLO-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)[C@@H](CN)c2ccc(F)cc2)c1 ZINC000358743644 428653691 /nfs/dbraw/zinc/65/36/91/428653691.db2.gz LXTNLIICYWBXCW-KRWDZBQOSA-N 1 3 315.392 2.616 20 0 DFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000362227450 428665747 /nfs/dbraw/zinc/66/57/47/428665747.db2.gz ZODNYMCXCKOIKN-QZTJIDSGSA-N 1 3 323.525 2.687 20 0 DFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000362227450 428665752 /nfs/dbraw/zinc/66/57/52/428665752.db2.gz ZODNYMCXCKOIKN-QZTJIDSGSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccc(CN(C)C)c1 ZINC000355814214 274296027 /nfs/dbraw/zinc/29/60/27/274296027.db2.gz SUMQGQWAWWTVFT-IYBDPMFKSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cccc(CN(C)C)c1 ZINC000355814214 274296030 /nfs/dbraw/zinc/29/60/30/274296030.db2.gz SUMQGQWAWWTVFT-IYBDPMFKSA-N 1 3 317.477 2.741 20 0 DFADHO CC[C@@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)N(CC)CC ZINC000344540916 428675578 /nfs/dbraw/zinc/67/55/78/428675578.db2.gz KQVCYRNFSMUCAH-SJORKVTESA-N 1 3 311.514 2.878 20 0 DFADHO CC[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)N(CC)CC ZINC000344540916 428675579 /nfs/dbraw/zinc/67/55/79/428675579.db2.gz KQVCYRNFSMUCAH-SJORKVTESA-N 1 3 311.514 2.878 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000358774970 428669806 /nfs/dbraw/zinc/66/98/06/428669806.db2.gz OEAHSGFGNKTALJ-ZTFGCOKTSA-N 1 3 316.493 2.900 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000358774970 428669808 /nfs/dbraw/zinc/66/98/08/428669808.db2.gz OEAHSGFGNKTALJ-ZTFGCOKTSA-N 1 3 316.493 2.900 20 0 DFADHO OC[C@]1(c2ccccc2)CCC[N@H+](CCCN2CCCCC2)C1 ZINC000374555980 428696407 /nfs/dbraw/zinc/69/64/07/428696407.db2.gz ICMPBEDWWNBTQV-FQEVSTJZSA-N 1 3 316.489 2.889 20 0 DFADHO OC[C@]1(c2ccccc2)CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000374555980 428696412 /nfs/dbraw/zinc/69/64/12/428696412.db2.gz ICMPBEDWWNBTQV-FQEVSTJZSA-N 1 3 316.489 2.889 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000358850328 428703134 /nfs/dbraw/zinc/70/31/34/428703134.db2.gz DUFVKNQRNXHLJF-QGZVFWFLSA-N 1 3 315.392 2.568 20 0 DFADHO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000362364791 428718536 /nfs/dbraw/zinc/71/85/36/428718536.db2.gz VHFYZVINPFZOCP-YJBOKZPZSA-N 1 3 321.509 2.630 20 0 DFADHO CCC[C@H]1[C@@H](C)CCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000362364791 428718540 /nfs/dbraw/zinc/71/85/40/428718540.db2.gz VHFYZVINPFZOCP-YJBOKZPZSA-N 1 3 321.509 2.630 20 0 DFADHO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000362364789 428719904 /nfs/dbraw/zinc/71/99/04/428719904.db2.gz VHFYZVINPFZOCP-MAUKXSAKSA-N 1 3 321.509 2.630 20 0 DFADHO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000362364789 428719910 /nfs/dbraw/zinc/71/99/10/428719910.db2.gz VHFYZVINPFZOCP-MAUKXSAKSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000374497743 428686552 /nfs/dbraw/zinc/68/65/52/428686552.db2.gz RUFATZVCNMPUNC-JVPBZIDWSA-N 1 3 318.461 2.845 20 0 DFADHO CN(C)[C@H](CC(=O)NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000416198261 428689021 /nfs/dbraw/zinc/68/90/21/428689021.db2.gz MGAVUFIYRQQNNB-QGZVFWFLSA-N 1 3 317.477 2.528 20 0 DFADHO CN(C)Cc1ccccc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000362291668 428692131 /nfs/dbraw/zinc/69/21/31/428692131.db2.gz WCHZPKTVPAGIKE-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@H]1CN(C)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411267673 428768091 /nfs/dbraw/zinc/76/80/91/428768091.db2.gz ZFJSXRQLWPPOFC-KRWDZBQOSA-N 1 3 301.478 2.808 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)ccn1 ZINC000348423507 428741435 /nfs/dbraw/zinc/74/14/35/428741435.db2.gz VGGNSEQBQOHDNH-JKSUJKDBSA-N 1 3 305.466 2.936 20 0 DFADHO COCCN(CCOC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411139461 428746622 /nfs/dbraw/zinc/74/66/22/428746622.db2.gz MDSFLUSDXOVIKW-UHFFFAOYSA-N 1 3 320.477 2.767 20 0 DFADHO C[C@H]1CN(CCSC(C)(C)C)CCN1C1CC[NH+](C)CC1 ZINC000374775203 428749766 /nfs/dbraw/zinc/74/97/66/428749766.db2.gz JJPYPZDAHQFUEZ-HNNXBMFYSA-N 1 3 313.555 2.618 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1(C)CCCC1 ZINC000345196143 428795486 /nfs/dbraw/zinc/79/54/86/428795486.db2.gz JFQFLSVFEUJITE-QGZVFWFLSA-N 1 3 323.525 2.831 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1(C)CCCC1 ZINC000345196143 428795490 /nfs/dbraw/zinc/79/54/90/428795490.db2.gz JFQFLSVFEUJITE-QGZVFWFLSA-N 1 3 323.525 2.831 20 0 DFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)N(CC)CC ZINC000345198834 428796891 /nfs/dbraw/zinc/79/68/91/428796891.db2.gz BGEHPKYAUZARKO-IAGOWNOFSA-N 1 3 311.514 2.878 20 0 DFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)N(CC)CC ZINC000345198834 428796894 /nfs/dbraw/zinc/79/68/94/428796894.db2.gz BGEHPKYAUZARKO-IAGOWNOFSA-N 1 3 311.514 2.878 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCOCCOc2ccccc2)[C@H](C)C1 ZINC000348632263 428799474 /nfs/dbraw/zinc/79/94/74/428799474.db2.gz DFJGFABXWKSDRY-MJGOQNOKSA-N 1 3 320.477 2.744 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCOCCOc2ccccc2)[C@H](C)C1 ZINC000348632263 428799479 /nfs/dbraw/zinc/79/94/79/428799479.db2.gz DFJGFABXWKSDRY-MJGOQNOKSA-N 1 3 320.477 2.744 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CC2CCN(C)CC2)C1 ZINC000362669181 428800093 /nfs/dbraw/zinc/80/00/93/428800093.db2.gz UHTKWDQGAIPKMM-JZXOWHBKSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CC2CCN(C)CC2)C1 ZINC000362669181 428800098 /nfs/dbraw/zinc/80/00/98/428800098.db2.gz UHTKWDQGAIPKMM-JZXOWHBKSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@H](O)[C@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411500031 428805251 /nfs/dbraw/zinc/80/52/51/428805251.db2.gz SAWHBKUKCGMVGV-LPHOPBHVSA-N 1 3 302.462 2.875 20 0 DFADHO C[C@H](O)[C@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411500031 428805254 /nfs/dbraw/zinc/80/52/54/428805254.db2.gz SAWHBKUKCGMVGV-LPHOPBHVSA-N 1 3 302.462 2.875 20 0 DFADHO CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411599728 428822369 /nfs/dbraw/zinc/82/23/69/428822369.db2.gz COJQVPOITCRGDG-AEFFLSMTSA-N 1 3 323.525 2.876 20 0 DFADHO Cc1csc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000359116745 428824492 /nfs/dbraw/zinc/82/44/92/428824492.db2.gz QUWUUNZJOWZZEN-HZPDHXFCSA-N 1 3 320.506 2.637 20 0 DFADHO Cc1csc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000359116745 428824498 /nfs/dbraw/zinc/82/44/98/428824498.db2.gz QUWUUNZJOWZZEN-HZPDHXFCSA-N 1 3 320.506 2.637 20 0 DFADHO Cc1csc(N2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)n1 ZINC000359116745 428824502 /nfs/dbraw/zinc/82/45/02/428824502.db2.gz QUWUUNZJOWZZEN-HZPDHXFCSA-N 1 3 320.506 2.637 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)N(C)C ZINC000363092885 428856865 /nfs/dbraw/zinc/85/68/65/428856865.db2.gz PLWZGMGIZUEYQI-SFHVURJKSA-N 1 3 323.525 2.543 20 0 DFADHO CC(C)[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)cn1 ZINC000354089855 428859162 /nfs/dbraw/zinc/85/91/62/428859162.db2.gz GLADXRODTDEBGF-GOSISDBHSA-N 1 3 322.472 2.533 20 0 DFADHO O[C@]1(C(F)F)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411786644 428859205 /nfs/dbraw/zinc/85/92/05/428859205.db2.gz DBWRRORHENQWQX-GOSISDBHSA-N 1 3 324.415 2.874 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CCN1CCC1CC[NH2+]CC1 ZINC000359200530 428862113 /nfs/dbraw/zinc/86/21/13/428862113.db2.gz YWZSZRNCVUOQKN-QGZVFWFLSA-N 1 3 301.478 2.582 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc3c(c2)CCO3)C1 ZINC000354101901 428863322 /nfs/dbraw/zinc/86/33/22/428863322.db2.gz XCYBLABIVZTBBG-SFHVURJKSA-N 1 3 318.461 2.554 20 0 DFADHO COCCOc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000375508998 428901915 /nfs/dbraw/zinc/90/19/15/428901915.db2.gz VDNGEGBQKCXKGG-UHFFFAOYSA-N 1 3 318.461 2.772 20 0 DFADHO COCCOc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000375508998 428901924 /nfs/dbraw/zinc/90/19/24/428901924.db2.gz VDNGEGBQKCXKGG-UHFFFAOYSA-N 1 3 318.461 2.772 20 0 DFADHO COCCOc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1 ZINC000375508998 428901930 /nfs/dbraw/zinc/90/19/30/428901930.db2.gz VDNGEGBQKCXKGG-UHFFFAOYSA-N 1 3 318.461 2.772 20 0 DFADHO COc1cc(C[N@@H+]2CCCC23CCN(C)CC3)cc(OC)c1 ZINC000375514006 428903027 /nfs/dbraw/zinc/90/30/27/428903027.db2.gz XCFFFMWVVVQTHF-UHFFFAOYSA-N 1 3 304.434 2.764 20 0 DFADHO COc1cc(C[N@H+]2CCCC23CCN(C)CC3)cc(OC)c1 ZINC000375514006 428903030 /nfs/dbraw/zinc/90/30/30/428903030.db2.gz XCFFFMWVVVQTHF-UHFFFAOYSA-N 1 3 304.434 2.764 20 0 DFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC000349040482 428905803 /nfs/dbraw/zinc/90/58/03/428905803.db2.gz ASCNIEVQWVRNLQ-IAGOWNOFSA-N 1 3 309.498 2.632 20 0 DFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC000349040482 428905809 /nfs/dbraw/zinc/90/58/09/428905809.db2.gz ASCNIEVQWVRNLQ-IAGOWNOFSA-N 1 3 309.498 2.632 20 0 DFADHO Cc1ccsc1C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000349081859 428917454 /nfs/dbraw/zinc/91/74/54/428917454.db2.gz WTQKIPCPJKPHNW-UHFFFAOYSA-N 1 3 307.507 2.516 20 0 DFADHO Cc1ccc(CCC[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cn1 ZINC000349126585 428923180 /nfs/dbraw/zinc/92/31/80/428923180.db2.gz GUQOTGJTJBIKNV-LJQANCHMSA-N 1 3 301.478 2.986 20 0 DFADHO Cc1ccc(CCC[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cn1 ZINC000349126585 428923186 /nfs/dbraw/zinc/92/31/86/428923186.db2.gz GUQOTGJTJBIKNV-LJQANCHMSA-N 1 3 301.478 2.986 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000354226434 428927730 /nfs/dbraw/zinc/92/77/30/428927730.db2.gz WDCNXBVJWAEHNP-YOEHRIQHSA-N 1 3 321.440 2.959 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000354226434 428927735 /nfs/dbraw/zinc/92/77/35/428927735.db2.gz WDCNXBVJWAEHNP-YOEHRIQHSA-N 1 3 321.440 2.959 20 0 DFADHO CC(C)[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000359375753 428945880 /nfs/dbraw/zinc/94/58/80/428945880.db2.gz SPYLXBOILFWUTC-MSOLQXFVSA-N 1 3 317.477 2.561 20 0 DFADHO CC(C)[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000359375753 428945884 /nfs/dbraw/zinc/94/58/84/428945884.db2.gz SPYLXBOILFWUTC-MSOLQXFVSA-N 1 3 317.477 2.561 20 0 DFADHO C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC000345586287 428946462 /nfs/dbraw/zinc/94/64/62/428946462.db2.gz NZQJRLXMPKFLLC-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC000345586287 428946467 /nfs/dbraw/zinc/94/64/67/428946467.db2.gz NZQJRLXMPKFLLC-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO O[C@@H](CCNC1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000349293086 428956949 /nfs/dbraw/zinc/95/69/49/428956949.db2.gz DOKNFURHPFFVCR-AWEZNQCLSA-N 1 3 308.388 2.686 20 0 DFADHO O[C@@H](CC[NH2+]C1CCN(C2CCCCC2)CC1)C(F)(F)F ZINC000349293086 428956953 /nfs/dbraw/zinc/95/69/53/428956953.db2.gz DOKNFURHPFFVCR-AWEZNQCLSA-N 1 3 308.388 2.686 20 0 DFADHO CN(CCC(=O)NCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375753939 428962381 /nfs/dbraw/zinc/96/23/81/428962381.db2.gz BCQJUSDPDJNSPB-JWTNVVGKSA-N 1 3 321.509 2.630 20 0 DFADHO CN(CCC(=O)NCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375753939 428962385 /nfs/dbraw/zinc/96/23/85/428962385.db2.gz BCQJUSDPDJNSPB-JWTNVVGKSA-N 1 3 321.509 2.630 20 0 DFADHO C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000349346686 428966623 /nfs/dbraw/zinc/96/66/23/428966623.db2.gz YKPORBWMBCVVTD-KKSNRDQTSA-N 1 3 314.473 2.814 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCCNC2)c(C)c1OC ZINC000423545872 428968689 /nfs/dbraw/zinc/96/86/89/428968689.db2.gz DXCJSRHSUAPKHG-XJKSGUPXSA-N 1 3 306.450 2.675 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CCC3CCOCC3)CC2)C[C@@H](C)O1 ZINC000432938209 428974362 /nfs/dbraw/zinc/97/43/62/428974362.db2.gz KPNLTIOORRPEBZ-IAGOWNOFSA-N 1 3 324.509 2.624 20 0 DFADHO CCN(CC)CCC[N@H+](CC)C[C@H]1CCO[C@@H]1c1ccnn1C ZINC000349386332 428978780 /nfs/dbraw/zinc/97/87/80/428978780.db2.gz RSQOVUSATLVZND-AEFFLSMTSA-N 1 3 322.497 2.552 20 0 DFADHO CCN(CC)CCC[N@@H+](CC)C[C@H]1CCO[C@@H]1c1ccnn1C ZINC000349386332 428978782 /nfs/dbraw/zinc/97/87/82/428978782.db2.gz RSQOVUSATLVZND-AEFFLSMTSA-N 1 3 322.497 2.552 20 0 DFADHO CCN(CCC[NH+](CC)CC)C[C@H]1CCO[C@@H]1c1ccnn1C ZINC000349386332 428978785 /nfs/dbraw/zinc/97/87/85/428978785.db2.gz RSQOVUSATLVZND-AEFFLSMTSA-N 1 3 322.497 2.552 20 0 DFADHO C[N@@H+]1CC[C@H](NCC2([C@H](O)c3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000375802910 428979229 /nfs/dbraw/zinc/97/92/29/428979229.db2.gz XTWQZWVKUIVAIL-FCGDIQPGSA-N 1 3 314.473 2.963 20 0 DFADHO C[N@H+]1CC[C@H](NCC2([C@H](O)c3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000375802910 428979236 /nfs/dbraw/zinc/97/92/36/428979236.db2.gz XTWQZWVKUIVAIL-FCGDIQPGSA-N 1 3 314.473 2.963 20 0 DFADHO CC(C)[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)N1CCCCC1 ZINC000354579831 428998074 /nfs/dbraw/zinc/99/80/74/428998074.db2.gz PHKNBMYFPPFDAL-QGZVFWFLSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H](N)c1ccccc1 ZINC000423745444 429006677 /nfs/dbraw/zinc/00/66/77/429006677.db2.gz MRVIIFVNJVZQFQ-HRSCSKTISA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)CN(C(=O)CC1(C[NH3+])CCCCC1)C1CCN(C)CC1 ZINC000423761415 429011428 /nfs/dbraw/zinc/01/14/28/429011428.db2.gz OPUXRDOKKSGUIT-UHFFFAOYSA-N 1 3 323.525 2.865 20 0 DFADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)C[C@H](N)c1ccccc1 ZINC000423767721 429013631 /nfs/dbraw/zinc/01/36/31/429013631.db2.gz WQEAFKJMISSPMG-SFHVURJKSA-N 1 3 317.477 2.799 20 0 DFADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@H](N)c1ccccc1 ZINC000423767721 429013637 /nfs/dbraw/zinc/01/36/37/429013637.db2.gz WQEAFKJMISSPMG-SFHVURJKSA-N 1 3 317.477 2.799 20 0 DFADHO COC[C@]1(C[NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CCCN1 ZINC000423437914 429089653 /nfs/dbraw/zinc/08/96/53/429089653.db2.gz UONTVFBOUIWQKZ-HDMKZQKVSA-N 1 3 306.450 2.545 20 0 DFADHO COc1ccc([C@H]2CCCC[C@@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000423456681 429090601 /nfs/dbraw/zinc/09/06/01/429090601.db2.gz NXNWVRLVXZAUKN-RIENRQNYSA-N 1 3 304.409 2.668 20 0 DFADHO C[C@@H]([NH3+])[C@@H](C)N[C@H](C)Cc1ccc(F)cc1Br ZINC000423464219 429091702 /nfs/dbraw/zinc/09/17/02/429091702.db2.gz LYDQKCJNZCBSMR-OPRDCNLKSA-N 1 3 303.219 2.845 20 0 DFADHO C[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCCO1 ZINC000423476127 429095173 /nfs/dbraw/zinc/09/51/73/429095173.db2.gz QPYIJQZVOCOVAR-OXXUSNJHSA-N 1 3 306.425 2.676 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@H]1CCCO1 ZINC000423476127 429095177 /nfs/dbraw/zinc/09/51/77/429095177.db2.gz QPYIJQZVOCOVAR-OXXUSNJHSA-N 1 3 306.425 2.676 20 0 DFADHO C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000452005809 429037749 /nfs/dbraw/zinc/03/77/49/429037749.db2.gz KMCCIQXJGXYZOH-RDJZCZTQSA-N 1 3 317.477 2.668 20 0 DFADHO C[C@H]1CCC(C)(C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000452005809 429037752 /nfs/dbraw/zinc/03/77/52/429037752.db2.gz KMCCIQXJGXYZOH-RDJZCZTQSA-N 1 3 317.477 2.668 20 0 DFADHO c1ccc2nc(NCCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422923503 429053050 /nfs/dbraw/zinc/05/30/50/429053050.db2.gz WJMGHMKHKZPIGZ-QXAKKESOSA-N 1 3 324.472 3.157 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423279977 429055835 /nfs/dbraw/zinc/05/58/35/429055835.db2.gz TWCQUQGWOARXJU-JQFCIGGWSA-N 1 3 310.869 2.875 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423312523 429062191 /nfs/dbraw/zinc/06/21/91/429062191.db2.gz DGXROVQCWLCLEM-MLGOLLRUSA-N 1 3 304.438 2.604 20 0 DFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423318080 429062939 /nfs/dbraw/zinc/06/29/39/429062939.db2.gz CQPIZCOYSWNCLT-DLBZAZTESA-N 1 3 319.493 2.805 20 0 DFADHO N[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)C1CCC1 ZINC000423317056 429063149 /nfs/dbraw/zinc/06/31/49/429063149.db2.gz BHRMVHVLPHRIIR-QGZVFWFLSA-N 1 3 301.434 2.738 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423325108 429065138 /nfs/dbraw/zinc/06/51/38/429065138.db2.gz QBZAGFLEDZEICC-DYVFJYSZSA-N 1 3 318.465 2.948 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423323520 429065788 /nfs/dbraw/zinc/06/57/88/429065788.db2.gz HZMRQHGFJTWWEU-WMZOPIPTSA-N 1 3 323.525 2.912 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423323520 429065791 /nfs/dbraw/zinc/06/57/91/429065791.db2.gz HZMRQHGFJTWWEU-WMZOPIPTSA-N 1 3 323.525 2.912 20 0 DFADHO Clc1ccccc1C[C@H](NC[C@@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000423337549 429067163 /nfs/dbraw/zinc/06/71/63/429067163.db2.gz KHDCGTMPUXEIBS-COXVUDFISA-N 1 3 308.853 2.629 20 0 DFADHO CC[C@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)N(CC)CC ZINC000423972912 429068989 /nfs/dbraw/zinc/06/89/89/429068989.db2.gz PUAHXWGDIXWPFV-DLBZAZTESA-N 1 3 305.466 2.703 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@@]2(C)CCCNC2)c(C)c1OC ZINC000423349254 429069256 /nfs/dbraw/zinc/06/92/56/429069256.db2.gz VFSADICIXXRBBT-LIRRHRJNSA-N 1 3 320.477 2.923 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@@]2(C)CCC[NH2+]C2)c(C)c1OC ZINC000423349254 429069258 /nfs/dbraw/zinc/06/92/58/429069258.db2.gz VFSADICIXXRBBT-LIRRHRJNSA-N 1 3 320.477 2.923 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423363731 429072459 /nfs/dbraw/zinc/07/24/59/429072459.db2.gz VCWHTZHGGVUARV-DLBZAZTESA-N 1 3 309.498 2.521 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423363731 429072463 /nfs/dbraw/zinc/07/24/63/429072463.db2.gz VCWHTZHGGVUARV-DLBZAZTESA-N 1 3 309.498 2.521 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)cc1OC ZINC000423367959 429074782 /nfs/dbraw/zinc/07/47/82/429074782.db2.gz AWMRPFBOTDVXQO-YCPHGPKFSA-N 1 3 306.450 2.673 20 0 DFADHO COc1cc(C)c(C[C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000423367959 429074786 /nfs/dbraw/zinc/07/47/86/429074786.db2.gz AWMRPFBOTDVXQO-YCPHGPKFSA-N 1 3 306.450 2.673 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)c(C)c1OC ZINC000423394646 429079294 /nfs/dbraw/zinc/07/92/94/429079294.db2.gz MVUMARRJPWMWEJ-DVOMOZLQSA-N 1 3 306.450 2.531 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CC[NH2+]C[C@H]2C)c(C)c1OC ZINC000423394646 429079297 /nfs/dbraw/zinc/07/92/97/429079297.db2.gz MVUMARRJPWMWEJ-DVOMOZLQSA-N 1 3 306.450 2.531 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000423401451 429081334 /nfs/dbraw/zinc/08/13/34/429081334.db2.gz QWPUARVYXOZWPL-GRDNDAEWSA-N 1 3 318.465 2.865 20 0 DFADHO Cc1cc(N)cc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423481251 429097541 /nfs/dbraw/zinc/09/75/41/429097541.db2.gz PZTXFLIEUHWGMK-ICSRJNTNSA-N 1 3 323.440 2.923 20 0 DFADHO COC[C@]1(C[NH2+][C@H](C)CCc2ccc(F)cc2F)CCCN1 ZINC000423411066 429083591 /nfs/dbraw/zinc/08/35/91/429083591.db2.gz DXJREQGBGDPDLB-CXAGYDPISA-N 1 3 312.404 2.644 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000423419292 429085556 /nfs/dbraw/zinc/08/55/56/429085556.db2.gz VOYQBPHXOFKBOD-MSOLQXFVSA-N 1 3 321.509 2.665 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000423419292 429085562 /nfs/dbraw/zinc/08/55/62/429085562.db2.gz VOYQBPHXOFKBOD-MSOLQXFVSA-N 1 3 321.509 2.665 20 0 DFADHO COc1cc2nccc(N[C@H]3CC[N@H+](C)[C@H](C)C3)c2cc1OC ZINC000413155892 429151355 /nfs/dbraw/zinc/15/13/55/429151355.db2.gz DEBISQVIXFQRIF-OLZOCXBDSA-N 1 3 315.417 2.569 20 0 DFADHO COc1cc2nccc(N[C@H]3CC[N@@H+](C)[C@H](C)C3)c2cc1OC ZINC000413155892 429151358 /nfs/dbraw/zinc/15/13/58/429151358.db2.gz DEBISQVIXFQRIF-OLZOCXBDSA-N 1 3 315.417 2.569 20 0 DFADHO CSc1ccccc1NC(=O)CCN(C)[C@H]1CCC[NH2+]CC1 ZINC000435623717 429151774 /nfs/dbraw/zinc/15/17/74/429151774.db2.gz VQTTYWHNPOQZGY-AWEZNQCLSA-N 1 3 321.490 2.811 20 0 DFADHO C[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)c1ncc(Br)s1 ZINC000423492245 429098226 /nfs/dbraw/zinc/09/82/26/429098226.db2.gz MIHLKXXPKGXSJW-DJLDLDEBSA-N 1 3 304.257 2.684 20 0 DFADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])C1)c1ncc(Br)s1 ZINC000423492244 429098777 /nfs/dbraw/zinc/09/87/77/429098777.db2.gz MIHLKXXPKGXSJW-CIUDSAMLSA-N 1 3 304.257 2.684 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc1 ZINC000434671487 429105228 /nfs/dbraw/zinc/10/52/28/429105228.db2.gz UWMMNSWYRRYAKT-HOTGVXAUSA-N 1 3 317.477 2.741 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc1 ZINC000434671487 429105229 /nfs/dbraw/zinc/10/52/29/429105229.db2.gz UWMMNSWYRRYAKT-HOTGVXAUSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@@H]1C[N@@H+]([C@H]2CCN(C)[C@@H](c3ccccc3)C2)C[C@@]1(C)CN ZINC000423515335 429107246 /nfs/dbraw/zinc/10/72/46/429107246.db2.gz VEZRBWUDNWMPGL-QXCFHYIPSA-N 1 3 301.478 2.739 20 0 DFADHO C[C@@H]1C[N@H+]([C@H]2CCN(C)[C@@H](c3ccccc3)C2)C[C@@]1(C)CN ZINC000423515335 429107250 /nfs/dbraw/zinc/10/72/50/429107250.db2.gz VEZRBWUDNWMPGL-QXCFHYIPSA-N 1 3 301.478 2.739 20 0 DFADHO COc1ccc(C[C@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)c1OC ZINC000423514937 429107313 /nfs/dbraw/zinc/10/73/13/429107313.db2.gz URXQJJRBRAOPMF-BIENJYKASA-N 1 3 320.477 2.860 20 0 DFADHO COCC[C@@H]1CCC[C@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423525311 429107735 /nfs/dbraw/zinc/10/77/35/429107735.db2.gz KIWNRZSDYWPGMZ-PRLDQDABSA-N 1 3 306.494 2.935 20 0 DFADHO COCC[C@H]1CCC[C@@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423525312 429109571 /nfs/dbraw/zinc/10/95/71/429109571.db2.gz KIWNRZSDYWPGMZ-RIFVKUKGSA-N 1 3 306.494 2.935 20 0 DFADHO CCO[C@H]1C[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1(C)C ZINC000423531590 429110726 /nfs/dbraw/zinc/11/07/26/429110726.db2.gz SXAXCJLZKKJJQS-KVGIZGHVSA-N 1 3 306.494 2.933 20 0 DFADHO CCO[C@H]1C[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000423531590 429110729 /nfs/dbraw/zinc/11/07/29/429110729.db2.gz SXAXCJLZKKJJQS-KVGIZGHVSA-N 1 3 306.494 2.933 20 0 DFADHO CCN(C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424283799 429120003 /nfs/dbraw/zinc/12/00/03/429120003.db2.gz CEJCPYPZXXHIQC-MRXNPFEDSA-N 1 3 315.461 2.504 20 0 DFADHO Cc1ccc(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1F ZINC000424286704 429120096 /nfs/dbraw/zinc/12/00/96/429120096.db2.gz HXUMTEPAGSHUHX-AWEZNQCLSA-N 1 3 319.424 2.537 20 0 DFADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)C[C@H]2C1 ZINC000424306491 429122790 /nfs/dbraw/zinc/12/27/90/429122790.db2.gz VMYRFYYPFAMZOF-NQSUBMFWSA-N 1 3 324.509 2.669 20 0 DFADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424339033 429127490 /nfs/dbraw/zinc/12/74/90/429127490.db2.gz VFGOXENZWMIFMH-DAXOMENPSA-N 1 3 323.868 2.719 20 0 DFADHO C[C@@H]1CC2(CN1Cc1cnc([C@H]3CCCO3)s1)CC[NH2+]CC2 ZINC000424370447 429131849 /nfs/dbraw/zinc/13/18/49/429131849.db2.gz CHURAPSMLUVGIT-UKRRQHHQSA-N 1 3 321.490 2.959 20 0 DFADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(OCc2ccccn2)cc1 ZINC000435374242 429133549 /nfs/dbraw/zinc/13/35/49/429133549.db2.gz XBYPAMMJTSUMQY-NVXWUHKLSA-N 1 3 311.429 2.830 20 0 DFADHO CN1CCC(CC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000487102739 429135130 /nfs/dbraw/zinc/13/51/30/429135130.db2.gz TZNWDOQOPGGOSW-UHFFFAOYSA-N 1 3 323.525 2.879 20 0 DFADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OCc2ccccn2)cc1 ZINC000435374386 429137457 /nfs/dbraw/zinc/13/74/57/429137457.db2.gz XBYPAMMJTSUMQY-RDJZCZTQSA-N 1 3 311.429 2.830 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000424423846 429140808 /nfs/dbraw/zinc/14/08/08/429140808.db2.gz GURRWLIZCSDXDF-HNNXBMFYSA-N 1 3 318.465 2.840 20 0 DFADHO c1ccc(COC2CC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000364072070 429166408 /nfs/dbraw/zinc/16/64/08/429166408.db2.gz HLIMMXILCCEICH-TXQGORRRSA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(COC2CC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000364072070 429166410 /nfs/dbraw/zinc/16/64/10/429166410.db2.gz HLIMMXILCCEICH-TXQGORRRSA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3ccncc3)CC1)CO2 ZINC000294178566 275070424 /nfs/dbraw/zinc/07/04/24/275070424.db2.gz JXCNTBAEEPWIEQ-KRWDZBQOSA-N 1 3 309.413 2.644 20 0 DFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)c1 ZINC000495060136 429176438 /nfs/dbraw/zinc/17/64/38/429176438.db2.gz QCMKNQNZNVCZOR-FRQCXROJSA-N 1 3 320.477 2.778 20 0 DFADHO CCOCc1cc(CN2CCC[C@@H](CC[NH3+])C2)ccc1OC ZINC000442925136 429240717 /nfs/dbraw/zinc/24/07/17/429240717.db2.gz UMXMWZLIOAGCSA-HNNXBMFYSA-N 1 3 306.450 2.793 20 0 DFADHO CC(C)(C)OC(=O)CCCCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364653344 429242080 /nfs/dbraw/zinc/24/20/80/429242080.db2.gz DWQSAPNQJUUPNB-IKGGRYGDSA-N 1 3 322.493 2.915 20 0 DFADHO CC(C)(C)OC(=O)CCCCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364653344 429242083 /nfs/dbraw/zinc/24/20/83/429242083.db2.gz DWQSAPNQJUUPNB-IKGGRYGDSA-N 1 3 322.493 2.915 20 0 DFADHO CN(C)Cc1cccc(C(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000456160912 429252064 /nfs/dbraw/zinc/25/20/64/429252064.db2.gz CNOJATHJUSACJC-UHFFFAOYSA-N 1 3 305.466 2.598 20 0 DFADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C34CCCN3CCC4)ccc21 ZINC000456344102 429281837 /nfs/dbraw/zinc/28/18/37/429281837.db2.gz ZURNSRKBDATZHB-QGZVFWFLSA-N 1 3 313.445 2.802 20 0 DFADHO C[N@H+](C[C@H](O)CN1CC(C)(C)C[C@H]1c1ccccc1)C1CC1 ZINC000425542742 429318925 /nfs/dbraw/zinc/31/89/25/429318925.db2.gz OSLHHKGHTSGQKN-ROUUACIJSA-N 1 3 302.462 2.915 20 0 DFADHO C[N@@H+](C[C@H](O)CN1CC(C)(C)C[C@H]1c1ccccc1)C1CC1 ZINC000425542742 429318928 /nfs/dbraw/zinc/31/89/28/429318928.db2.gz OSLHHKGHTSGQKN-ROUUACIJSA-N 1 3 302.462 2.915 20 0 DFADHO CCN(C)CC[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449105432 429332140 /nfs/dbraw/zinc/33/21/40/429332140.db2.gz DLOBOUPGKAVDIQ-KRWDZBQOSA-N 1 3 303.494 2.623 20 0 DFADHO CCC[NH2+][C@@H](C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000449122775 429339314 /nfs/dbraw/zinc/33/93/14/429339314.db2.gz AKFLJDYJKYNOQD-JKSUJKDBSA-N 1 3 317.477 2.716 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCSC3)CC2)C[C@H](C)O1 ZINC000365869929 429393031 /nfs/dbraw/zinc/39/30/31/429393031.db2.gz DDJIADLQMYUFAX-HLLBOEOZSA-N 1 3 312.523 2.561 20 0 DFADHO COc1ccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1OC ZINC000517758086 429397737 /nfs/dbraw/zinc/39/77/37/429397737.db2.gz YNMLJKBXYZFYNG-OLZOCXBDSA-N 1 3 312.841 2.759 20 0 DFADHO COc1ccc(CC[NH2+][C@H]2CCC[C@@H](N)C2)c(Cl)c1OC ZINC000517758086 429397742 /nfs/dbraw/zinc/39/77/42/429397742.db2.gz YNMLJKBXYZFYNG-OLZOCXBDSA-N 1 3 312.841 2.759 20 0 DFADHO Cc1csc([C@@H](C)CNCc2cc(C3CC[NH2+]CC3)no2)n1 ZINC000425896015 429350104 /nfs/dbraw/zinc/35/01/04/429350104.db2.gz MOCWJVOWVVNESW-NSHDSACASA-N 1 3 320.462 2.800 20 0 DFADHO Fc1cccc(CCNCc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425899644 429350661 /nfs/dbraw/zinc/35/06/61/429350661.db2.gz LMWUVQUAXARMJW-UHFFFAOYSA-N 1 3 303.381 2.613 20 0 DFADHO Fc1ccccc1CCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425902452 429351644 /nfs/dbraw/zinc/35/16/44/429351644.db2.gz SPWXOIZYDDNAOV-UHFFFAOYSA-N 1 3 303.381 2.613 20 0 DFADHO COC[C@H](O)CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449208868 429358019 /nfs/dbraw/zinc/35/80/19/429358019.db2.gz PUWZBEZJGFEVDH-MRXNPFEDSA-N 1 3 314.514 2.653 20 0 DFADHO CCN1CCN(CCC[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449222914 429362247 /nfs/dbraw/zinc/36/22/47/429362247.db2.gz WWPPWPQOMFIZCH-UHFFFAOYSA-N 1 3 301.434 2.550 20 0 DFADHO CCN(CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)CCC(F)(F)F ZINC000426052900 429362708 /nfs/dbraw/zinc/36/27/08/429362708.db2.gz ULUVABFTQQFMBC-MGPQQGTHSA-N 1 3 309.420 2.579 20 0 DFADHO CCN(CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)CCC(F)(F)F ZINC000426052900 429362712 /nfs/dbraw/zinc/36/27/12/429362712.db2.gz ULUVABFTQQFMBC-MGPQQGTHSA-N 1 3 309.420 2.579 20 0 DFADHO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000449235070 429363103 /nfs/dbraw/zinc/36/31/03/429363103.db2.gz SOMCFDMGEVCUMN-KXBFYZLASA-N 1 3 314.429 2.567 20 0 DFADHO CCN(CC[NH2+]C1CCN(C(C)C)CC1)CCC(F)(F)F ZINC000426072605 429363825 /nfs/dbraw/zinc/36/38/25/429363825.db2.gz XOZVONDINNRYFG-UHFFFAOYSA-N 1 3 309.420 2.723 20 0 DFADHO CCN(CCNC1CC[NH+](C(C)C)CC1)CCC(F)(F)F ZINC000426072605 429363827 /nfs/dbraw/zinc/36/38/27/429363827.db2.gz XOZVONDINNRYFG-UHFFFAOYSA-N 1 3 309.420 2.723 20 0 DFADHO Cc1ccc(C[NH2+]C[C@H](C)CN(C)C)c(-c2ccnn2C)c1 ZINC000491542357 429372501 /nfs/dbraw/zinc/37/25/01/429372501.db2.gz CSEQVLJEXFVRPA-HNNXBMFYSA-N 1 3 300.450 2.683 20 0 DFADHO Cc1ccc(CNC[C@H](C)C[NH+](C)C)c(-c2ccnn2C)c1 ZINC000491542357 429372504 /nfs/dbraw/zinc/37/25/04/429372504.db2.gz CSEQVLJEXFVRPA-HNNXBMFYSA-N 1 3 300.450 2.683 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426414542 429389586 /nfs/dbraw/zinc/38/95/86/429389586.db2.gz BSAYLPXVVVRKSH-GOSISDBHSA-N 1 3 321.509 2.584 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426414542 429389588 /nfs/dbraw/zinc/38/95/88/429389588.db2.gz BSAYLPXVVVRKSH-GOSISDBHSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccncc2OCCN(C)C)C1 ZINC000449330063 429390679 /nfs/dbraw/zinc/39/06/79/429390679.db2.gz RLDYZLWWDRKEHN-VYDXJSESSA-N 1 3 305.466 2.936 20 0 DFADHO Cc1noc(C2CCC([NH2+]C[C@H](C)CN3CCCC3)CC2)n1 ZINC000366478730 429460534 /nfs/dbraw/zinc/46/05/34/429460534.db2.gz VHJSDYASLNUGEL-JEYLPNPQSA-N 1 3 306.454 2.726 20 0 DFADHO C[C@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000366490183 429464433 /nfs/dbraw/zinc/46/44/33/429464433.db2.gz NNKJDIJGIYGTHD-DNVCBOLYSA-N 1 3 316.445 2.937 20 0 DFADHO C[C@H](c1ccc2c(c1)OCCCO2)[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000366490183 429464435 /nfs/dbraw/zinc/46/44/35/429464435.db2.gz NNKJDIJGIYGTHD-DNVCBOLYSA-N 1 3 316.445 2.937 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(NC(C)=O)CC1 ZINC000427720474 429467336 /nfs/dbraw/zinc/46/73/36/429467336.db2.gz NFRNKXVRKIBUMO-RGVPCPSESA-N 1 3 323.525 2.924 20 0 DFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000426771340 429414875 /nfs/dbraw/zinc/41/48/75/429414875.db2.gz BAFYVEXLRMXTPL-SJORKVTESA-N 1 3 311.514 2.734 20 0 DFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000426771340 429414880 /nfs/dbraw/zinc/41/48/80/429414880.db2.gz BAFYVEXLRMXTPL-SJORKVTESA-N 1 3 311.514 2.734 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000426790885 429417081 /nfs/dbraw/zinc/41/70/81/429417081.db2.gz BXEQHDUWTHHHGB-RDJZCZTQSA-N 1 3 309.498 2.628 20 0 DFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000426790885 429417085 /nfs/dbraw/zinc/41/70/85/429417085.db2.gz BXEQHDUWTHHHGB-RDJZCZTQSA-N 1 3 309.498 2.628 20 0 DFADHO C[NH+](C)CC(C)(C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000457236823 429432027 /nfs/dbraw/zinc/43/20/27/429432027.db2.gz KZEQVBOWROTVHX-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCCNC2)cc1OC ZINC000520761892 429527259 /nfs/dbraw/zinc/52/72/59/429527259.db2.gz ONOLFFXNRWEULB-LSDHHAIUSA-N 1 3 320.477 2.959 20 0 DFADHO COc1ccc(C(C)(C)CN[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000520761892 429527262 /nfs/dbraw/zinc/52/72/62/429527262.db2.gz ONOLFFXNRWEULB-LSDHHAIUSA-N 1 3 320.477 2.959 20 0 DFADHO [NH3+][C@@H](CCC(=O)Nc1cccc2c1CCNC2)c1ccccc1 ZINC000519691596 429478637 /nfs/dbraw/zinc/47/86/37/429478637.db2.gz ZOSJYZOEBKCCKV-KRWDZBQOSA-N 1 3 309.413 2.751 20 0 DFADHO C[C@H]1C[C@H](O)CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000449767762 429501270 /nfs/dbraw/zinc/50/12/70/429501270.db2.gz QWCOVMVJADQTJT-WMZOPIPTSA-N 1 3 304.478 2.847 20 0 DFADHO C[C@H]1C[C@H](O)CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000449767762 429501276 /nfs/dbraw/zinc/50/12/76/429501276.db2.gz QWCOVMVJADQTJT-WMZOPIPTSA-N 1 3 304.478 2.847 20 0 DFADHO CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000449803887 429514042 /nfs/dbraw/zinc/51/40/42/429514042.db2.gz QBMVIQDFKYFWHK-QGZVFWFLSA-N 1 3 309.498 2.630 20 0 DFADHO CC(C)[N@@H+](C)CCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000449803887 429514048 /nfs/dbraw/zinc/51/40/48/429514048.db2.gz QBMVIQDFKYFWHK-QGZVFWFLSA-N 1 3 309.498 2.630 20 0 DFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCCN1C1CCCC1 ZINC000449810445 429516296 /nfs/dbraw/zinc/51/62/96/429516296.db2.gz LXVRZHUNBBCNHQ-NJAFHUGGSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCCN1C1CCCC1 ZINC000449810445 429516300 /nfs/dbraw/zinc/51/63/00/429516300.db2.gz LXVRZHUNBBCNHQ-NJAFHUGGSA-N 1 3 319.493 2.527 20 0 DFADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000449828471 429519866 /nfs/dbraw/zinc/51/98/66/429519866.db2.gz XEPQMDBIGLKZEK-WBVHZDCISA-N 1 3 309.498 2.630 20 0 DFADHO CCN1CC[C@H](C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000367025810 429561236 /nfs/dbraw/zinc/56/12/36/429561236.db2.gz FIZCKVBJLLMBPB-MRXNPFEDSA-N 1 3 312.461 2.827 20 0 DFADHO CC[N@@H+]1CC[C@H](CNCc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000367025810 429561243 /nfs/dbraw/zinc/56/12/43/429561243.db2.gz FIZCKVBJLLMBPB-MRXNPFEDSA-N 1 3 312.461 2.827 20 0 DFADHO CC[N@H+]1CC[C@H](CNCc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000367025810 429561245 /nfs/dbraw/zinc/56/12/45/429561245.db2.gz FIZCKVBJLLMBPB-MRXNPFEDSA-N 1 3 312.461 2.827 20 0 DFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)C[NH+]1CCCCC1 ZINC000521984634 429572389 /nfs/dbraw/zinc/57/23/89/429572389.db2.gz AXYYBDHTIOOXOF-AWEZNQCLSA-N 1 3 316.449 2.533 20 0 DFADHO C[C@H](CN1CCC(CC[NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000492611361 429578595 /nfs/dbraw/zinc/57/85/95/429578595.db2.gz VOWAXPUSXASRKD-CQSZACIVSA-N 1 3 313.486 2.563 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC000428517681 429531433 /nfs/dbraw/zinc/53/14/33/429531433.db2.gz WBJRFYHKAPIDDO-HNNXBMFYSA-N 1 3 305.466 2.598 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC000428517681 429531437 /nfs/dbraw/zinc/53/14/37/429531437.db2.gz WBJRFYHKAPIDDO-HNNXBMFYSA-N 1 3 305.466 2.598 20 0 DFADHO CCCC[C@H](C[NH3+])NC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000429616065 429622492 /nfs/dbraw/zinc/62/24/92/429622492.db2.gz NHOKRPAZNSFNJC-QGZVFWFLSA-N 1 3 317.477 2.918 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000450561263 429649153 /nfs/dbraw/zinc/64/91/53/429649153.db2.gz GXKOTHYEMZXSQC-NEPXVJNWSA-N 1 3 304.478 2.813 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000450561263 429649155 /nfs/dbraw/zinc/64/91/55/429649155.db2.gz GXKOTHYEMZXSQC-NEPXVJNWSA-N 1 3 304.478 2.813 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1)C1CC1 ZINC000429275747 429595050 /nfs/dbraw/zinc/59/50/50/429595050.db2.gz LJMJGPWXVYJTMX-WMZOPIPTSA-N 1 3 315.461 2.528 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000523115934 429602036 /nfs/dbraw/zinc/60/20/36/429602036.db2.gz GAPDUMYSBYNUCQ-ZACQAIPSSA-N 1 3 323.525 2.827 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000523115934 429602038 /nfs/dbraw/zinc/60/20/38/429602038.db2.gz GAPDUMYSBYNUCQ-ZACQAIPSSA-N 1 3 323.525 2.827 20 0 DFADHO CC(C)CC(=O)N1CCC(C[N@@H+]2CCC[C@@H](N(C)C)CC2)CC1 ZINC000367252558 429605761 /nfs/dbraw/zinc/60/57/61/429605761.db2.gz NETARAPAVBNLKR-GOSISDBHSA-N 1 3 323.525 2.687 20 0 DFADHO CC(C)CC(=O)N1CCC(C[N@H+]2CCC[C@@H](N(C)C)CC2)CC1 ZINC000367252558 429605763 /nfs/dbraw/zinc/60/57/63/429605763.db2.gz NETARAPAVBNLKR-GOSISDBHSA-N 1 3 323.525 2.687 20 0 DFADHO CN(C)Cc1ccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000523509875 429608337 /nfs/dbraw/zinc/60/83/37/429608337.db2.gz VLGMPLQNQVKZES-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO CN(C)Cc1ccc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000523509875 429608341 /nfs/dbraw/zinc/60/83/41/429608341.db2.gz VLGMPLQNQVKZES-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO COC1(C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000429402012 429608426 /nfs/dbraw/zinc/60/84/26/429608426.db2.gz HWGROQISZXWJJE-YESZJQIVSA-N 1 3 312.498 2.813 20 0 DFADHO Cc1cc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)ccc1C[NH+](C)C ZINC000458268339 429609795 /nfs/dbraw/zinc/60/97/95/429609795.db2.gz GLUHQLRYFNZHMA-GJZGRUSLSA-N 1 3 303.450 2.868 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CN1CCN(CCC2=CCCCC2)CC1 ZINC000450388738 429614300 /nfs/dbraw/zinc/61/43/00/429614300.db2.gz JEATUSFGRVYNGT-IBGZPJMESA-N 1 3 305.510 2.979 20 0 DFADHO C[N@H+]1CCCC[C@H]1CN1CCN(CCC2=CCCCC2)CC1 ZINC000450388738 429614303 /nfs/dbraw/zinc/61/43/03/429614303.db2.gz JEATUSFGRVYNGT-IBGZPJMESA-N 1 3 305.510 2.979 20 0 DFADHO C[N@@H+]1CCC[C@H](CNCC[C@H]2CCOC2=O)[C@H]1c1ccccc1 ZINC000367490286 429658999 /nfs/dbraw/zinc/65/89/99/429658999.db2.gz RVQJZVOMAKQXOG-RCCFBDPRSA-N 1 3 316.445 2.612 20 0 DFADHO C[N@H+]1CCC[C@H](CNCC[C@H]2CCOC2=O)[C@H]1c1ccccc1 ZINC000367490286 429659003 /nfs/dbraw/zinc/65/90/03/429659003.db2.gz RVQJZVOMAKQXOG-RCCFBDPRSA-N 1 3 316.445 2.612 20 0 DFADHO C[N@H+](CC[C@@H]1CCOC1)[C@@H]1CCCN(CC[C@@H]2CCOC2)CC1 ZINC000450613006 429660195 /nfs/dbraw/zinc/66/01/95/429660195.db2.gz LUYKAQDMQAHANE-GUDVDZBRSA-N 1 3 324.509 2.626 20 0 DFADHO C[N@@H+](CC[C@@H]1CCOC1)[C@@H]1CCCN(CC[C@@H]2CCOC2)CC1 ZINC000450613006 429660197 /nfs/dbraw/zinc/66/01/97/429660197.db2.gz LUYKAQDMQAHANE-GUDVDZBRSA-N 1 3 324.509 2.626 20 0 DFADHO C[C@@H](C(=O)Nc1cccc2c1C[NH2+]CC2)N1CCCCCC1 ZINC000367508019 429662343 /nfs/dbraw/zinc/66/23/43/429662343.db2.gz QUIZWMZIDPNTRB-AWEZNQCLSA-N 1 3 301.434 2.535 20 0 DFADHO COC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000367585081 429677676 /nfs/dbraw/zinc/67/76/76/429677676.db2.gz CRLXTCAAQXJESA-MQVJKMGUSA-N 1 3 303.406 2.580 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccccc2Cn2cccn2)[C@H]2CCC[C@@H]21 ZINC000367601062 429682215 /nfs/dbraw/zinc/68/22/15/429682215.db2.gz MELQDQLTICDHRY-AABGKKOBSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccccc2Cn2cccn2)[C@H]2CCC[C@@H]21 ZINC000367601062 429682217 /nfs/dbraw/zinc/68/22/17/429682217.db2.gz MELQDQLTICDHRY-AABGKKOBSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccnc(N3CCCC3)c2)[C@@H]2CCC[C@H]21 ZINC000367639287 429690954 /nfs/dbraw/zinc/69/09/54/429690954.db2.gz UTFFWAKWNHYVLE-OKZBNKHCSA-N 1 3 314.477 2.644 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccnc(N3CCCC3)c2)[C@@H]2CCC[C@H]21 ZINC000367639287 429690958 /nfs/dbraw/zinc/69/09/58/429690958.db2.gz UTFFWAKWNHYVLE-OKZBNKHCSA-N 1 3 314.477 2.644 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@@H]2CCC[C@H]21 ZINC000367639287 429690963 /nfs/dbraw/zinc/69/09/63/429690963.db2.gz UTFFWAKWNHYVLE-OKZBNKHCSA-N 1 3 314.477 2.644 20 0 DFADHO CN(CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Cc1ccc(F)cc1 ZINC000367617735 429686889 /nfs/dbraw/zinc/68/68/89/429686889.db2.gz REFKDWHUZHEHQY-IPMKNSEASA-N 1 3 319.468 2.720 20 0 DFADHO CN(CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)Cc1ccc(F)cc1 ZINC000367617735 429686893 /nfs/dbraw/zinc/68/68/93/429686893.db2.gz REFKDWHUZHEHQY-IPMKNSEASA-N 1 3 319.468 2.720 20 0 DFADHO CN1CC[NH+](C[C@H]2CCCN(CCCCC(F)(F)F)C2)CC1 ZINC000367622081 429687182 /nfs/dbraw/zinc/68/71/82/429687182.db2.gz FCKDOSKJSVKAFQ-HNNXBMFYSA-N 1 3 321.431 2.678 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCC2(O)CCOCC2)CC1 ZINC000367711027 429705539 /nfs/dbraw/zinc/70/55/39/429705539.db2.gz ZZBQNQZERPTODL-AEFFLSMTSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CCC2(O)CCOCC2)CC1 ZINC000367711027 429705545 /nfs/dbraw/zinc/70/55/45/429705545.db2.gz ZZBQNQZERPTODL-AEFFLSMTSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])N1CCCC[C@H]1C ZINC000430758717 429714751 /nfs/dbraw/zinc/71/47/51/429714751.db2.gz DGGGSFQNPRKMEH-NCOADZHNSA-N 1 3 309.498 2.663 20 0 DFADHO CC[C@@H]1CCCCN1CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000430771431 429715279 /nfs/dbraw/zinc/71/52/79/429715279.db2.gz DDQQQMYZMYTPJB-IXDOHACOSA-N 1 3 309.498 2.665 20 0 DFADHO CN(C(=[NH2+])NC[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000367809448 429721388 /nfs/dbraw/zinc/72/13/88/429721388.db2.gz GHASTMSWZZFZTJ-CJNGLKHVSA-N 1 3 320.868 2.951 20 0 DFADHO CN(C)CC(C)(C)C[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000367810041 429722013 /nfs/dbraw/zinc/72/20/13/429722013.db2.gz MHSLMVIGXZEMTM-AWEZNQCLSA-N 1 3 307.413 2.777 20 0 DFADHO CC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(F)c1 ZINC000527099077 429722741 /nfs/dbraw/zinc/72/27/41/429722741.db2.gz CKKYNQJWMZEFLF-SFHVURJKSA-N 1 3 307.457 2.894 20 0 DFADHO CC[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCOC1 ZINC000482436601 429725873 /nfs/dbraw/zinc/72/58/73/429725873.db2.gz IYWKNFMDDTWMDR-AQNXPRMDSA-N 1 3 316.489 2.956 20 0 DFADHO CC(C)N(C)c1ccc(CN2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000430942418 429726306 /nfs/dbraw/zinc/72/63/06/429726306.db2.gz LSVZYSRQJDZQDX-UHFFFAOYSA-N 1 3 302.466 2.502 20 0 DFADHO c1nc(-c2ccccn2)sc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430950479 429727388 /nfs/dbraw/zinc/72/73/88/429727388.db2.gz RLPIHKHNISUZJW-UHFFFAOYSA-N 1 3 314.458 2.781 20 0 DFADHO CN(CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000431047301 429737592 /nfs/dbraw/zinc/73/75/92/429737592.db2.gz WRTMSRHKVFQABW-ZWKOTPCHSA-N 1 3 317.477 2.532 20 0 DFADHO C[C@H]1CCCCN1CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431745477 429780405 /nfs/dbraw/zinc/78/04/05/429780405.db2.gz QSQZPGYXOAJYJS-FUHWJXTLSA-N 1 3 317.477 2.670 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@](O)(c2ccccc2)CC1 ZINC000368072736 429781018 /nfs/dbraw/zinc/78/10/18/429781018.db2.gz PZLKGTPZXTUKFV-RTBURBONSA-N 1 3 302.462 2.844 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@](O)(c2ccccc2)CC1 ZINC000368072736 429781020 /nfs/dbraw/zinc/78/10/20/429781020.db2.gz PZLKGTPZXTUKFV-RTBURBONSA-N 1 3 302.462 2.844 20 0 DFADHO FC(F)COCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000368091221 429785302 /nfs/dbraw/zinc/78/53/02/429785302.db2.gz VXVBZSZPXJVFLO-DLBZAZTESA-N 1 3 324.415 2.722 20 0 DFADHO FC(F)COCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000368091221 429785307 /nfs/dbraw/zinc/78/53/07/429785307.db2.gz VXVBZSZPXJVFLO-DLBZAZTESA-N 1 3 324.415 2.722 20 0 DFADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)CCN1C ZINC000431861773 429786994 /nfs/dbraw/zinc/78/69/94/429786994.db2.gz VZMSAXCPJFUKPU-KBAYOESNSA-N 1 3 317.477 2.621 20 0 DFADHO c1nc2c([nH]1)CC[C@H]([NH2+]C1CCN(CCc3ccccc3)CC1)C2 ZINC000368103006 429789410 /nfs/dbraw/zinc/78/94/10/429789410.db2.gz RIYWXCMNQXJBHR-SFHVURJKSA-N 1 3 324.472 2.564 20 0 DFADHO CCCN1CC[C@@H](C[NH2+]C2CCC(c3nc(C)no3)CC2)C1 ZINC000368369021 429838014 /nfs/dbraw/zinc/83/80/14/429838014.db2.gz GPAGJAMACVJAJJ-FHERZECASA-N 1 3 306.454 2.726 20 0 DFADHO CN1CCN(CC2(C)CC[NH+]([C@H]3CCC(C)(C)C3)CC2)CC1 ZINC000368401160 429842785 /nfs/dbraw/zinc/84/27/85/429842785.db2.gz YLVRWOHVSARZDH-KRWDZBQOSA-N 1 3 307.526 2.915 20 0 DFADHO CCN(C(=O)[C@H](C)[C@H](C)[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000493953590 429851365 /nfs/dbraw/zinc/85/13/65/429851365.db2.gz VJXBRWRMHQFYFE-KYHPRHEASA-N 1 3 317.477 2.654 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CC12CC2 ZINC000527859226 429810368 /nfs/dbraw/zinc/81/03/68/429810368.db2.gz OAUIBCOAPCAQPQ-BEFAXECRSA-N 1 3 314.473 2.922 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000528385355 429882591 /nfs/dbraw/zinc/88/25/91/429882591.db2.gz BPVYEJVFGSAERQ-SJLPKXTDSA-N 1 3 308.441 2.657 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000528385355 429882595 /nfs/dbraw/zinc/88/25/95/429882595.db2.gz BPVYEJVFGSAERQ-SJLPKXTDSA-N 1 3 308.441 2.657 20 0 DFADHO CO[C@H](C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1)c1ccc(F)cc1 ZINC000528519698 429896256 /nfs/dbraw/zinc/89/62/56/429896256.db2.gz VTFZTBWIRHDPDK-MSOLQXFVSA-N 1 3 306.425 2.931 20 0 DFADHO CO[C@H](C[N@H+]1CCC[C@@]2(CCN(C)C2)C1)c1ccc(F)cc1 ZINC000528519698 429896257 /nfs/dbraw/zinc/89/62/57/429896257.db2.gz VTFZTBWIRHDPDK-MSOLQXFVSA-N 1 3 306.425 2.931 20 0 DFADHO Cc1cccn2c(CN3CCCC4(CC[NH+](C)CC4)C3)cnc12 ZINC000369198733 429918975 /nfs/dbraw/zinc/91/89/75/429918975.db2.gz PNSCQIXAPOZTDW-UHFFFAOYSA-N 1 3 312.461 2.951 20 0 DFADHO CN(C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000558348677 429967771 /nfs/dbraw/zinc/96/77/71/429967771.db2.gz CMJKTDNYNVWJEK-ZWKOTPCHSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000558348677 429967774 /nfs/dbraw/zinc/96/77/74/429967774.db2.gz CMJKTDNYNVWJEK-ZWKOTPCHSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759898 429971848 /nfs/dbraw/zinc/97/18/48/429971848.db2.gz NARQXRGLQXXMNO-IXDOHACOSA-N 1 3 321.509 2.582 20 0 DFADHO CC(C)CCC[C@H](C)NC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639762070 429972724 /nfs/dbraw/zinc/97/27/24/429972724.db2.gz JYZSWTGHAAXIJC-KRWDZBQOSA-N 1 3 323.525 2.735 20 0 DFADHO Cc1cccc(NC(=O)[C@@H](C)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639760388 429973248 /nfs/dbraw/zinc/97/32/48/429973248.db2.gz WPAKBQHJZQDVGE-MRXNPFEDSA-N 1 3 315.461 2.740 20 0 DFADHO O[C@H](C[N@@H+]1CCCN(c2ccncc2)CC1)C1CCCCC1 ZINC000639683680 429946045 /nfs/dbraw/zinc/94/60/45/429946045.db2.gz LGBSQVWMQIRQEI-GOSISDBHSA-N 1 3 303.450 2.535 20 0 DFADHO O[C@H](C[N@H+]1CCCN(c2ccncc2)CC1)C1CCCCC1 ZINC000639683680 429946050 /nfs/dbraw/zinc/94/60/50/429946050.db2.gz LGBSQVWMQIRQEI-GOSISDBHSA-N 1 3 303.450 2.535 20 0 DFADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)CC1CCCC1 ZINC000573955184 429997864 /nfs/dbraw/zinc/99/78/64/429997864.db2.gz ZZLAGKUITOBPDK-SFHVURJKSA-N 1 3 320.477 2.658 20 0 DFADHO CC[C@H](C)C[C@H](CC)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000574215042 430021422 /nfs/dbraw/zinc/02/14/22/430021422.db2.gz VTUYJSWKSCABDL-IRXDYDNUSA-N 1 3 311.514 2.783 20 0 DFADHO Fc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)nc1 ZINC000529544443 430026376 /nfs/dbraw/zinc/02/63/76/430026376.db2.gz OIOWLLPQBZOUDD-UHFFFAOYSA-N 1 3 300.381 2.622 20 0 DFADHO ClC1(Cl)C[C@H]1CCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240448 430106771 /nfs/dbraw/zinc/10/67/71/430106771.db2.gz LCMDYBIVBHVVHS-KGLIPLIRSA-N 1 3 321.292 2.661 20 0 DFADHO COc1ccccc1OCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000560514802 430051973 /nfs/dbraw/zinc/05/19/73/430051973.db2.gz YPOMLEUJPRWQDI-OAGGEKHMSA-N 1 3 304.434 2.536 20 0 DFADHO COc1ccccc1OCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000560514802 430051978 /nfs/dbraw/zinc/05/19/78/430051978.db2.gz YPOMLEUJPRWQDI-OAGGEKHMSA-N 1 3 304.434 2.536 20 0 DFADHO COc1ccccc1OCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000560514802 430051982 /nfs/dbraw/zinc/05/19/82/430051982.db2.gz YPOMLEUJPRWQDI-OAGGEKHMSA-N 1 3 304.434 2.536 20 0 DFADHO COCC1(NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000560556374 430055794 /nfs/dbraw/zinc/05/57/94/430055794.db2.gz DHIBDXBJIYEJMU-WMZOPIPTSA-N 1 3 324.509 2.815 20 0 DFADHO COCC1([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000560556374 430055799 /nfs/dbraw/zinc/05/57/99/430055799.db2.gz DHIBDXBJIYEJMU-WMZOPIPTSA-N 1 3 324.509 2.815 20 0 DFADHO [NH3+][C@@H]1CCCCC[C@H]1NCC1(CO)CC(c2ccccc2)C1 ZINC000580946274 430163650 /nfs/dbraw/zinc/16/36/50/430163650.db2.gz TYULXPHKKVCOFR-QGLXBCBXSA-N 1 3 302.462 2.792 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCC1CCCCC1 ZINC000530641410 430121437 /nfs/dbraw/zinc/12/14/37/430121437.db2.gz OQARNCMYKWFVPK-UHFFFAOYSA-N 1 3 311.514 2.689 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000314684188 277045834 /nfs/dbraw/zinc/04/58/34/277045834.db2.gz AMMLDWQWFGDERW-KBPBESRZSA-N 1 3 308.388 2.640 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000314684188 277045836 /nfs/dbraw/zinc/04/58/36/277045836.db2.gz AMMLDWQWFGDERW-KBPBESRZSA-N 1 3 308.388 2.640 20 0 DFADHO Cc1cccc2c1CC[C@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635006674 430194673 /nfs/dbraw/zinc/19/46/73/430194673.db2.gz CHYJBVFWNZYSAA-GOSISDBHSA-N 1 3 308.429 2.899 20 0 DFADHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000635001224 430192348 /nfs/dbraw/zinc/19/23/48/430192348.db2.gz KWTRUFALTBZFRT-OJLVUWQFSA-N 1 3 321.262 2.819 20 0 DFADHO CC1(C)[C@H]([NH2+]CC[C@H](N)Cc2ccccc2)[C@H]2CCCO[C@H]21 ZINC000635006881 430193784 /nfs/dbraw/zinc/19/37/84/430193784.db2.gz NCAXNFCYAILWTF-BSDSXHPESA-N 1 3 302.462 2.740 20 0 DFADHO COc1ccc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1 ZINC000635010985 430195943 /nfs/dbraw/zinc/19/59/43/430195943.db2.gz XCWVSCMMQLPOCF-CQSZACIVSA-N 1 3 312.417 2.673 20 0 DFADHO COc1ccc2c(c1)[C@@H](Nc1cc(N3CCNCC3)cc[nH+]1)CC2 ZINC000635009451 430196147 /nfs/dbraw/zinc/19/61/47/430196147.db2.gz NGCQKZHXYYQIJN-SFHVURJKSA-N 1 3 324.428 2.599 20 0 DFADHO C[C@H](CCc1ccco1)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010983 430196361 /nfs/dbraw/zinc/19/63/61/430196361.db2.gz XCJWNTMNTOPUNB-CQSZACIVSA-N 1 3 300.406 2.517 20 0 DFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc(F)c1F ZINC000635008452 430196440 /nfs/dbraw/zinc/19/64/40/430196440.db2.gz JXIFMIKAFUCDAV-LBPRGKRZSA-N 1 3 318.371 2.943 20 0 DFADHO Fc1ccc([C@@H]2OCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000635011267 430196490 /nfs/dbraw/zinc/19/64/90/430196490.db2.gz DPVMSFZISAQBLL-XYAUDYEYSA-N 1 3 304.409 2.776 20 0 DFADHO CC1(C)CNCC[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000635011183 430196546 /nfs/dbraw/zinc/19/65/46/430196546.db2.gz MVMRHRHLHMZKFG-LXVYMNJGSA-N 1 3 308.388 2.590 20 0 DFADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1-n1ccnn1 ZINC000635012371 430196611 /nfs/dbraw/zinc/19/66/11/430196611.db2.gz TXKZUJRPPRLWOX-LSDHHAIUSA-N 1 3 313.449 2.696 20 0 DFADHO Oc1cccc2c1CCC[C@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635009338 430196619 /nfs/dbraw/zinc/19/66/19/430196619.db2.gz MZIGBYDVOQGFKG-QGZVFWFLSA-N 1 3 324.428 2.686 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@H]3CC[NH2+]CC[C@H]3C)C2)cc1 ZINC000635011527 430196691 /nfs/dbraw/zinc/19/66/91/430196691.db2.gz GCBZIFJJCQMJTK-NEWSRXKRSA-N 1 3 301.478 2.547 20 0 DFADHO CCc1ccc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)o1 ZINC000635010168 430196808 /nfs/dbraw/zinc/19/68/08/430196808.db2.gz QVTVMWACHAEPNJ-CYBMUJFWSA-N 1 3 300.406 2.820 20 0 DFADHO Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCCC[C@@H]3N)C2)cc1 ZINC000635013009 430197316 /nfs/dbraw/zinc/19/73/16/430197316.db2.gz PVLLVDRAGONFQS-FHWLQOOXSA-N 1 3 301.478 2.819 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@H]3CCCCC[C@@H]3[NH3+])C2)cc1 ZINC000635013009 430197319 /nfs/dbraw/zinc/19/73/19/430197319.db2.gz PVLLVDRAGONFQS-FHWLQOOXSA-N 1 3 301.478 2.819 20 0 DFADHO COc1ccc(COCCC[NH2+][C@H](C)[C@@H]2CCCNC2)cc1 ZINC000581304657 430198034 /nfs/dbraw/zinc/19/80/34/430198034.db2.gz VKYVKVQZVMDXDM-NVXWUHKLSA-N 1 3 306.450 2.580 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)NCc1cccc2c1CC[NH2+]C2 ZINC000635024245 430200257 /nfs/dbraw/zinc/20/02/57/430200257.db2.gz UYWMBDFDRSWBGV-HNNXBMFYSA-N 1 3 323.440 2.839 20 0 DFADHO CN(CC1CC[NH+](C)CC1)[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000638029119 430211707 /nfs/dbraw/zinc/21/17/07/430211707.db2.gz LYIPEUFUHLRUSY-MRXNPFEDSA-N 1 3 305.470 2.700 20 0 DFADHO CCN[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000638064771 430223330 /nfs/dbraw/zinc/22/33/30/430223330.db2.gz WPWXFGYQSCKSJX-HNNXBMFYSA-N 1 3 303.450 2.855 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000565488382 430215161 /nfs/dbraw/zinc/21/51/61/430215161.db2.gz FTNKJNZSCCLHTF-YJBOKZPZSA-N 1 3 320.477 2.608 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000565488382 430215164 /nfs/dbraw/zinc/21/51/64/430215164.db2.gz FTNKJNZSCCLHTF-YJBOKZPZSA-N 1 3 320.477 2.608 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C)CCCC3)CC2)CC1 ZINC000566435475 430262945 /nfs/dbraw/zinc/26/29/45/430262945.db2.gz JLXISYJFDOTXKL-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO OC[C@H](CNC1CC[NH+](C2CCCCC2)CC1)Cc1ccco1 ZINC000543769860 430264944 /nfs/dbraw/zinc/26/49/44/430264944.db2.gz PZCTVEWXFQENCE-INIZCTEOSA-N 1 3 320.477 2.817 20 0 DFADHO OC[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)Cc1ccco1 ZINC000543769860 430264946 /nfs/dbraw/zinc/26/49/46/430264946.db2.gz PZCTVEWXFQENCE-INIZCTEOSA-N 1 3 320.477 2.817 20 0 DFADHO Fc1ccccc1N1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000565751858 430225427 /nfs/dbraw/zinc/22/54/27/430225427.db2.gz CRCQMAOLVLOBPL-QGZVFWFLSA-N 1 3 317.452 2.868 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000635189065 430226188 /nfs/dbraw/zinc/22/61/88/430226188.db2.gz OKWIOHUXLCJWNF-FUHWJXTLSA-N 1 3 317.477 2.528 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000635189065 430226193 /nfs/dbraw/zinc/22/61/93/430226193.db2.gz OKWIOHUXLCJWNF-FUHWJXTLSA-N 1 3 317.477 2.528 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2c3ccccc3CC23CCOCC3)C1 ZINC000581618230 430226413 /nfs/dbraw/zinc/22/64/13/430226413.db2.gz VFDCECDFBCLRLA-JFIYKMOQSA-N 1 3 300.446 2.940 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000638080041 430228175 /nfs/dbraw/zinc/22/81/75/430228175.db2.gz SALINUIOIJOUEK-GOSISDBHSA-N 1 3 319.493 2.907 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000638080041 430228177 /nfs/dbraw/zinc/22/81/77/430228177.db2.gz SALINUIOIJOUEK-GOSISDBHSA-N 1 3 319.493 2.907 20 0 DFADHO CC(C)CC[C@H](N)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000638080043 430228513 /nfs/dbraw/zinc/22/85/13/430228513.db2.gz SALINUIOIJOUEK-SFHVURJKSA-N 1 3 319.493 2.907 20 0 DFADHO CC(C)CC[C@H](N)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000638080043 430228516 /nfs/dbraw/zinc/22/85/16/430228516.db2.gz SALINUIOIJOUEK-SFHVURJKSA-N 1 3 319.493 2.907 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000638086962 430230551 /nfs/dbraw/zinc/23/05/51/430230551.db2.gz YASNSIYSGGKGFA-QZTJIDSGSA-N 1 3 323.525 2.720 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000638112660 430238856 /nfs/dbraw/zinc/23/88/56/430238856.db2.gz JQMKDWKYZGSTTQ-QGZVFWFLSA-N 1 3 321.465 2.719 20 0 DFADHO COc1ccc(C[C@@H](C)NCCC[NH2+]C(C)C)c(C)c1OC ZINC000582295236 430286482 /nfs/dbraw/zinc/28/64/82/430286482.db2.gz KYFGVLHTJLRGBE-CQSZACIVSA-N 1 3 308.466 2.921 20 0 DFADHO CCC[C@@H](C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)OC ZINC000638272732 430290646 /nfs/dbraw/zinc/29/06/46/430290646.db2.gz BELPHPURNOASSR-IBGZPJMESA-N 1 3 320.477 2.548 20 0 DFADHO C[C@@H](C[C@@H]1CCCC(=O)N1)NCCC[N@H+](C)C1CCCCC1 ZINC000638299931 430297880 /nfs/dbraw/zinc/29/78/80/430297880.db2.gz FOPZCCVVSPPGJR-HOTGVXAUSA-N 1 3 309.498 2.678 20 0 DFADHO C[C@@H](C[C@@H]1CCCC(=O)N1)NCCC[N@@H+](C)C1CCCCC1 ZINC000638299931 430297886 /nfs/dbraw/zinc/29/78/86/430297886.db2.gz FOPZCCVVSPPGJR-HOTGVXAUSA-N 1 3 309.498 2.678 20 0 DFADHO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCN(C)C1CCCCC1 ZINC000638299931 430297891 /nfs/dbraw/zinc/29/78/91/430297891.db2.gz FOPZCCVVSPPGJR-HOTGVXAUSA-N 1 3 309.498 2.678 20 0 DFADHO Cc1ccc(OCCNC2CC[NH+](CC(C)(C)O)CC2)c(C)c1 ZINC000638305081 430299498 /nfs/dbraw/zinc/29/94/98/430299498.db2.gz POUXCUPASWIOOI-UHFFFAOYSA-N 1 3 320.477 2.507 20 0 DFADHO CN(CC(=O)NCCCCC[NH+]1CCCCC1)CC(C)(C)C ZINC000635547439 430303826 /nfs/dbraw/zinc/30/38/26/430303826.db2.gz HSCMLWAMBGCHFC-UHFFFAOYSA-N 1 3 311.514 2.737 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(C)cc2Cl)CC1 ZINC000568030190 430307691 /nfs/dbraw/zinc/30/76/91/430307691.db2.gz LUYJCSLDPBZHOX-HNNXBMFYSA-N 1 3 309.885 2.764 20 0 DFADHO CCC(CC)[C@H](CN[C@H](C)C[C@H]1CCCC(=O)N1)[NH+]1CCCC1 ZINC000638349967 430312077 /nfs/dbraw/zinc/31/20/77/430312077.db2.gz XPERVCOPUGEIBC-NXHRZFHOSA-N 1 3 323.525 2.924 20 0 DFADHO COc1cc2c(cc1CNCCC[C@@H]1CCC[NH2+]1)O[C@H](C)C2 ZINC000582713716 430326926 /nfs/dbraw/zinc/32/69/26/430326926.db2.gz NYEXPORBVRTDBJ-CZUORRHYSA-N 1 3 304.434 2.640 20 0 DFADHO C[C@H](CO)[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638411608 430332842 /nfs/dbraw/zinc/33/28/42/430332842.db2.gz CSNHNOLLYNMCJV-APWZRJJASA-N 1 3 304.478 2.895 20 0 DFADHO C[C@H](CO)NC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638411608 430332846 /nfs/dbraw/zinc/33/28/46/430332846.db2.gz CSNHNOLLYNMCJV-APWZRJJASA-N 1 3 304.478 2.895 20 0 DFADHO C[C@H](CO)NC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638411608 430332850 /nfs/dbraw/zinc/33/28/50/430332850.db2.gz CSNHNOLLYNMCJV-APWZRJJASA-N 1 3 304.478 2.895 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccc(F)c(Br)c2)C1 ZINC000568249234 430338341 /nfs/dbraw/zinc/33/83/41/430338341.db2.gz LKQUKLXBWXJREU-NEPJUHHUSA-N 1 3 315.230 2.990 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)C1 ZINC000568249234 430338344 /nfs/dbraw/zinc/33/83/44/430338344.db2.gz LKQUKLXBWXJREU-NEPJUHHUSA-N 1 3 315.230 2.990 20 0 DFADHO C[NH+](C)CCCCNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638452151 430346740 /nfs/dbraw/zinc/34/67/40/430346740.db2.gz VKASPWDUBSQYRN-UHFFFAOYSA-N 1 3 318.387 2.670 20 0 DFADHO CNC[C@@](C)(O)C[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000582969369 430352883 /nfs/dbraw/zinc/35/28/83/430352883.db2.gz AINGNIYOGZVJPB-FUHWJXTLSA-N 1 3 318.486 2.900 20 0 DFADHO c1ccc(CCN2CC[C@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000638522095 430367285 /nfs/dbraw/zinc/36/72/85/430367285.db2.gz XAVLUODCPKGBTJ-RTBURBONSA-N 1 3 302.462 2.710 20 0 DFADHO Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000568531953 430368488 /nfs/dbraw/zinc/36/84/88/430368488.db2.gz UUJPJZIAZFRQNQ-MAUKXSAKSA-N 1 3 310.445 2.958 20 0 DFADHO CCN1CCN(Cc2ccccc2C[NH2+]CC2(C)CC2)CC1 ZINC000568597544 430373427 /nfs/dbraw/zinc/37/34/27/430373427.db2.gz IETXYGZKJLNTHS-UHFFFAOYSA-N 1 3 301.478 2.714 20 0 DFADHO CC(C)(O)C[NH+]1CCC(NCCOC2CCCCCC2)CC1 ZINC000638610165 430390008 /nfs/dbraw/zinc/39/00/08/430390008.db2.gz UOVJEPBYQJUOSF-UHFFFAOYSA-N 1 3 312.498 2.551 20 0 DFADHO CCN1CCCC[C@H]1C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641661476 430437316 /nfs/dbraw/zinc/43/73/16/430437316.db2.gz NEUPLPNWKJAIAT-KRWDZBQOSA-N 1 3 309.498 2.585 20 0 DFADHO CO[C@@H](C[NH2+]CC1CCN(c2ccncc2)CC1)CC(C)C ZINC000638837064 430449530 /nfs/dbraw/zinc/44/95/30/430449530.db2.gz NZDAGJSRURZZGM-GOSISDBHSA-N 1 3 305.466 2.949 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000569469254 430457175 /nfs/dbraw/zinc/45/71/75/430457175.db2.gz RUJRFQUXAGPMAH-FHWLQOOXSA-N 1 3 304.478 2.876 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000569469254 430457177 /nfs/dbraw/zinc/45/71/77/430457177.db2.gz RUJRFQUXAGPMAH-FHWLQOOXSA-N 1 3 304.478 2.876 20 0 DFADHO CC1CC[NH+](C2CCC(NCc3ccncc3N)CC2)CC1 ZINC000641742553 430459301 /nfs/dbraw/zinc/45/93/01/430459301.db2.gz NVUHWIULDVRECL-UHFFFAOYSA-N 1 3 302.466 2.797 20 0 DFADHO CSc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000641772113 430468772 /nfs/dbraw/zinc/46/87/72/430468772.db2.gz KYGAPVHZMZITBF-UHFFFAOYSA-N 1 3 324.490 2.982 20 0 DFADHO CCCc1nc(C)c(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)o1 ZINC000641799860 430476833 /nfs/dbraw/zinc/47/68/33/430476833.db2.gz RPILREJRNHJBSH-YJBOKZPZSA-N 1 3 321.465 2.654 20 0 DFADHO CO[C@H](CNCC[C@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000638725670 430418832 /nfs/dbraw/zinc/41/88/32/430418832.db2.gz HEIRFMXWRIYNLX-YTQUADARSA-N 1 3 320.477 2.538 20 0 DFADHO CO[C@H](CNCC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000638725670 430418835 /nfs/dbraw/zinc/41/88/35/430418835.db2.gz HEIRFMXWRIYNLX-YTQUADARSA-N 1 3 320.477 2.538 20 0 DFADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCCC1 ZINC000638749873 430424703 /nfs/dbraw/zinc/42/47/03/430424703.db2.gz MBQAGWLRMCMVSX-CEXWTWQISA-N 1 3 324.509 2.549 20 0 DFADHO C[C@H](CCCC(F)(F)F)[NH2+]CCCCN1CCN(C)CC1 ZINC000547828542 430425455 /nfs/dbraw/zinc/42/54/55/430425455.db2.gz ZUDLWGDVPCMURG-CQSZACIVSA-N 1 3 309.420 2.725 20 0 DFADHO Cc1nn(-c2ccncc2)cc1CNCc1ccc([C@@H](C)[NH3+])cc1 ZINC000569200178 430431351 /nfs/dbraw/zinc/43/13/51/430431351.db2.gz UOYPBUJWHVHWNV-CQSZACIVSA-N 1 3 321.428 2.885 20 0 DFADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000638969363 430483979 /nfs/dbraw/zinc/48/39/79/430483979.db2.gz GKTWMSFVAORVBW-QZWWFDLISA-N 1 3 321.509 2.676 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000638979563 430487412 /nfs/dbraw/zinc/48/74/12/430487412.db2.gz FKKJULJMJOTWDK-INIZCTEOSA-N 1 3 309.498 2.617 20 0 DFADHO C[C@@H]1CCN(CC[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000569832402 430490835 /nfs/dbraw/zinc/49/08/35/430490835.db2.gz YAGKELRFMASNDV-BHIYHBOVSA-N 1 3 301.478 2.753 20 0 DFADHO c1cc(N2CCC(C[NH2+][C@@H]3CCC34CCOCC4)CC2)ccn1 ZINC000548793511 430500772 /nfs/dbraw/zinc/50/07/72/430500772.db2.gz FOWLBWYVKNAHDV-GOSISDBHSA-N 1 3 315.461 2.847 20 0 DFADHO [NH3+]C[C@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)c2ccccc21 ZINC000639064990 430509730 /nfs/dbraw/zinc/50/97/30/430509730.db2.gz NHTVTZNSYJEUBK-RDTXWAMCSA-N 1 3 321.424 2.700 20 0 DFADHO N[C@@H](CC(=O)N1CC[C@H](C[NH3+])c2ccccc21)c1ccccc1 ZINC000639067653 430511059 /nfs/dbraw/zinc/51/10/59/430511059.db2.gz KFUYZQFCAHSULZ-WBVHZDCISA-N 1 3 309.413 2.556 20 0 DFADHO C[C@H](C(=O)N1CC[C@H](C[NH3+])c2ccccc21)N1CCCCCC1 ZINC000639067676 430511343 /nfs/dbraw/zinc/51/13/43/430511343.db2.gz KTWBXLGTFBLFKO-HZPDHXFCSA-N 1 3 315.461 2.730 20 0 DFADHO C[C@H](C[C@H]1CCCC(=O)N1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000639133001 430536922 /nfs/dbraw/zinc/53/69/22/430536922.db2.gz FZXYALXXNRKXGI-NUJGCVRESA-N 1 3 321.509 2.820 20 0 DFADHO C[C@H](C[C@H]1CCCC(=O)N1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000639133001 430536925 /nfs/dbraw/zinc/53/69/25/430536925.db2.gz FZXYALXXNRKXGI-NUJGCVRESA-N 1 3 321.509 2.820 20 0 DFADHO CSC[C@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000570508631 430549139 /nfs/dbraw/zinc/54/91/39/430549139.db2.gz CYOMXHFCGJYRDA-MAUKXSAKSA-N 1 3 322.518 2.732 20 0 DFADHO CSC[C@H](O)CNCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000570508631 430549142 /nfs/dbraw/zinc/54/91/42/430549142.db2.gz CYOMXHFCGJYRDA-MAUKXSAKSA-N 1 3 322.518 2.732 20 0 DFADHO CC(C)c1nn(C)c(N(C)C)c1CNC1CCC([NH+](C)C)CC1 ZINC000643296054 430576083 /nfs/dbraw/zinc/57/60/83/430576083.db2.gz BDGRAQLMHXYJNE-UHFFFAOYSA-N 1 3 321.513 2.572 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453176 430601898 /nfs/dbraw/zinc/60/18/98/430601898.db2.gz LTZXPIMNOOHGKV-IIYDPXPESA-N 1 3 309.404 2.508 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455368 430602321 /nfs/dbraw/zinc/60/23/21/430602321.db2.gz AJGCDVSPDWZHBZ-OBJOEFQTSA-N 1 3 315.383 3.000 20 0 DFADHO CO[C@@H](C[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C1CC1 ZINC000639149478 430545448 /nfs/dbraw/zinc/54/54/48/430545448.db2.gz PWQIVHVSLXOTKQ-IBGZPJMESA-N 1 3 318.461 2.674 20 0 DFADHO C[C@H](N[C@@H](C[NH3+])C1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000571753780 430650954 /nfs/dbraw/zinc/65/09/54/430650954.db2.gz FFBHELPDBJPSAE-KXBFYZLASA-N 1 3 317.477 2.691 20 0 DFADHO Fc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCNCC3)C2)cc1F ZINC000643453137 430602605 /nfs/dbraw/zinc/60/26/05/430602605.db2.gz JJYWIVHZIKKEAB-KBPBESRZSA-N 1 3 309.404 2.523 20 0 DFADHO FC(F)(F)[C@H]1C[C@H]([NH2+][C@@H]2CCNC2)C[C@@H](C(F)(F)F)C1 ZINC000643458703 430604165 /nfs/dbraw/zinc/60/41/65/430604165.db2.gz RRNWXOURPJGJEA-RGOKHQFPSA-N 1 3 304.278 2.847 20 0 DFADHO FC(F)(F)[C@H]1C[C@H]([NH2+][C@H]2CCNC2)C[C@@H](C(F)(F)F)C1 ZINC000643458702 430604186 /nfs/dbraw/zinc/60/41/86/430604186.db2.gz RRNWXOURPJGJEA-QCLAVDOMSA-N 1 3 304.278 2.847 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462706 430604955 /nfs/dbraw/zinc/60/49/55/430604955.db2.gz BLEDJBFXAOOBEP-XPKDYRNWSA-N 1 3 309.404 2.521 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CS1 ZINC000639312210 430606054 /nfs/dbraw/zinc/60/60/54/430606054.db2.gz SWKCKDCINCFSAX-WMLDXEAASA-N 1 3 305.491 2.777 20 0 DFADHO OCc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000643478190 430606599 /nfs/dbraw/zinc/60/65/99/430606599.db2.gz BCLKZDJJKNKDSK-IPMKNSEASA-N 1 3 302.462 2.622 20 0 DFADHO OCc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)cc1 ZINC000643478190 430606604 /nfs/dbraw/zinc/60/66/04/430606604.db2.gz BCLKZDJJKNKDSK-IPMKNSEASA-N 1 3 302.462 2.622 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccnn1C ZINC000643484290 430607233 /nfs/dbraw/zinc/60/72/33/430607233.db2.gz PXPKCWYBOBWOFK-LUKYLMHMSA-N 1 3 304.482 2.670 20 0 DFADHO COc1ccc(OC)c(CCC[NH2+][C@H](C)[C@@H]2CCCNC2)c1 ZINC000643476595 430607728 /nfs/dbraw/zinc/60/77/28/430607728.db2.gz VQULVKRHVGASPL-GDBMZVCRSA-N 1 3 306.450 2.614 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CCCCC3)CC2)CC1 ZINC000553158734 430609146 /nfs/dbraw/zinc/60/91/46/430609146.db2.gz MYSICQOEAQXWRY-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643520920 430611568 /nfs/dbraw/zinc/61/15/68/430611568.db2.gz CYDRFCSKOFGXJO-MKBNYLNASA-N 1 3 301.434 2.565 20 0 DFADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000639518341 430661015 /nfs/dbraw/zinc/66/10/15/430661015.db2.gz FEGUCVLRAVRLLH-QFBILLFUSA-N 1 3 300.446 2.675 20 0 DFADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000639518341 430661018 /nfs/dbraw/zinc/66/10/18/430661018.db2.gz FEGUCVLRAVRLLH-QFBILLFUSA-N 1 3 300.446 2.675 20 0 DFADHO CN1CCC[C@H]2C[N@H+](Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000639518341 430661020 /nfs/dbraw/zinc/66/10/20/430661020.db2.gz FEGUCVLRAVRLLH-QFBILLFUSA-N 1 3 300.446 2.675 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000639518341 430661024 /nfs/dbraw/zinc/66/10/24/430661024.db2.gz FEGUCVLRAVRLLH-QFBILLFUSA-N 1 3 300.446 2.675 20 0 DFADHO C[C@@H](CCCCO)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000643541208 430613940 /nfs/dbraw/zinc/61/39/40/430613940.db2.gz SJXPYPURSXFORL-QILLFSRXSA-N 1 3 308.441 2.660 20 0 DFADHO c1c2c(nn1-c1ccccc1)CCC[C@H]2N[C@H]1CC12CC[NH2+]CC2 ZINC000643536665 430614882 /nfs/dbraw/zinc/61/48/82/430614882.db2.gz UJKAUXKJCDRVLY-MJGOQNOKSA-N 1 3 322.456 2.981 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546678 430615658 /nfs/dbraw/zinc/61/56/58/430615658.db2.gz SQSQMFQJGAIRMG-HOTGVXAUSA-N 1 3 315.461 2.692 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546678 430615663 /nfs/dbraw/zinc/61/56/63/430615663.db2.gz SQSQMFQJGAIRMG-HOTGVXAUSA-N 1 3 315.461 2.692 20 0 DFADHO NC1(C[NH2+]C(C2CC2)C2CC2)CCN(Cc2ccccc2)CC1 ZINC000643544679 430615838 /nfs/dbraw/zinc/61/58/38/430615838.db2.gz WGJIOIBNGQMKFE-UHFFFAOYSA-N 1 3 313.489 2.758 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1ccc(-n2cncn2)cc1 ZINC000643545891 430615924 /nfs/dbraw/zinc/61/59/24/430615924.db2.gz DXIJZQMCKNFYGS-ZBFHGGJFSA-N 1 3 311.433 2.593 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1ccc(-n2cncn2)cc1 ZINC000643545889 430616141 /nfs/dbraw/zinc/61/61/41/430616141.db2.gz DXIJZQMCKNFYGS-GOEBONIOSA-N 1 3 311.433 2.593 20 0 DFADHO c1cc(N2CCC([NH2+][C@H](C3CCC3)[C@@H]3CCCO3)CC2)ccn1 ZINC000639390065 430632064 /nfs/dbraw/zinc/63/20/64/430632064.db2.gz SUPIWGWKGGPFPK-RBUKOAKNSA-N 1 3 315.461 2.988 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCCC34CC4)cc2)CC1 ZINC000571658472 430644519 /nfs/dbraw/zinc/64/45/19/430644519.db2.gz IXXNQNXKDOUUDF-IBGZPJMESA-N 1 3 313.489 2.856 20 0 DFADHO C[C@@H]1OCC[C@@H]1CN1CCC[C@H]([N@H+](C)C[C@@H]2CCO[C@H]2C)CC1 ZINC000639546950 430668993 /nfs/dbraw/zinc/66/89/93/430668993.db2.gz NKLZOXVAABMZAJ-FKSLSLAPSA-N 1 3 324.509 2.623 20 0 DFADHO C[C@@H]1OCC[C@@H]1CN1CCC[C@H]([N@@H+](C)C[C@@H]2CCO[C@H]2C)CC1 ZINC000639546950 430668995 /nfs/dbraw/zinc/66/89/95/430668995.db2.gz NKLZOXVAABMZAJ-FKSLSLAPSA-N 1 3 324.509 2.623 20 0 DFADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H](N(C)C[C@@H]2CCO[C@H]2C)CC1 ZINC000639546950 430668999 /nfs/dbraw/zinc/66/89/99/430668999.db2.gz NKLZOXVAABMZAJ-FKSLSLAPSA-N 1 3 324.509 2.623 20 0 DFADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H](N(C)C[C@@H]2CCO[C@H]2C)CC1 ZINC000639546950 430669003 /nfs/dbraw/zinc/66/90/03/430669003.db2.gz NKLZOXVAABMZAJ-FKSLSLAPSA-N 1 3 324.509 2.623 20 0 DFADHO C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)[C@H]1CCCNC1 ZINC000572111565 430671929 /nfs/dbraw/zinc/67/19/29/430671929.db2.gz DPBJGGJGRJACFD-RYQLBKOJSA-N 1 3 304.478 2.766 20 0 DFADHO C[C@H](NC[C@H](c1ccccc1)C(C)(C)CO)[C@H]1CCC[NH2+]C1 ZINC000572111565 430671931 /nfs/dbraw/zinc/67/19/31/430671931.db2.gz DPBJGGJGRJACFD-RYQLBKOJSA-N 1 3 304.478 2.766 20 0 DFADHO CCCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000572228012 430676610 /nfs/dbraw/zinc/67/66/10/430676610.db2.gz GJKSSCHSALADPN-UHFFFAOYSA-N 1 3 319.493 2.591 20 0 DFADHO CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000556094034 430679325 /nfs/dbraw/zinc/67/93/25/430679325.db2.gz OPALQFZZWXGXBS-RHSMWYFYSA-N 1 3 304.434 2.856 20 0 DFADHO CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000556094034 430679326 /nfs/dbraw/zinc/67/93/26/430679326.db2.gz OPALQFZZWXGXBS-RHSMWYFYSA-N 1 3 304.434 2.856 20 0 DFADHO CCC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCN(CC)CC1 ZINC000572488978 430688235 /nfs/dbraw/zinc/68/82/35/430688235.db2.gz ODKGMIVAKQXWHK-RDJZCZTQSA-N 1 3 309.498 2.535 20 0 DFADHO CN1CCN(CCCC[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000556837496 430694066 /nfs/dbraw/zinc/69/40/66/430694066.db2.gz HTEBEUVKHAIAOQ-PLNGDYQASA-N 1 3 323.431 2.595 20 0 DFADHO COC[C@H](CC1CCOCC1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000657823839 430746664 /nfs/dbraw/zinc/74/66/64/430746664.db2.gz OTSASIZEZCIVNA-WMZOPIPTSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@H](CC1CCOCC1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000657823839 430746670 /nfs/dbraw/zinc/74/66/70/430746670.db2.gz OTSASIZEZCIVNA-WMZOPIPTSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@H](CC1CCOCC1)NCCC[N@H+]1CCCC[C@@H]1C ZINC000657823839 430746675 /nfs/dbraw/zinc/74/66/75/430746675.db2.gz OTSASIZEZCIVNA-WMZOPIPTSA-N 1 3 312.498 2.672 20 0 DFADHO COC1([C@@H](C)[NH2+]Cc2cccc(OCCN(C)C)c2)CCC1 ZINC000657843506 430750556 /nfs/dbraw/zinc/75/05/56/430750556.db2.gz ZMUGMTRZJHMBKU-OAHLLOKOSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@@H](Cc1ccc2c(c1)CCCC2)NC[C@H](O)C[NH+]1CCCC1 ZINC000657847803 430752060 /nfs/dbraw/zinc/75/20/60/430752060.db2.gz XEBJDHVSNUVQFS-JXFKEZNVSA-N 1 3 316.489 2.543 20 0 DFADHO COC[C@H](CC1CCOCC1)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000657844179 430752138 /nfs/dbraw/zinc/75/21/38/430752138.db2.gz OVUYPSZDVMHWHB-WMZOPIPTSA-N 1 3 312.498 2.530 20 0 DFADHO COC[C@H](CC1CCOCC1)NC[C@H](C)C[NH+]1CCCCC1 ZINC000657844179 430752142 /nfs/dbraw/zinc/75/21/42/430752142.db2.gz OVUYPSZDVMHWHB-WMZOPIPTSA-N 1 3 312.498 2.530 20 0 DFADHO C[C@H]1C[C@H](NCCC(=O)Nc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000644574919 430756020 /nfs/dbraw/zinc/75/60/20/430756020.db2.gz KDNUJJDILLKIGT-SWLSCSKDSA-N 1 3 309.841 2.741 20 0 DFADHO C[C@H]1C[C@H](NCCC(=O)Nc2ccc(Cl)cc2)CC[N@H+]1C ZINC000644574919 430756025 /nfs/dbraw/zinc/75/60/25/430756025.db2.gz KDNUJJDILLKIGT-SWLSCSKDSA-N 1 3 309.841 2.741 20 0 DFADHO Cc1ccc(OC[C@@H](O)CN[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000644569924 430756189 /nfs/dbraw/zinc/75/61/89/430756189.db2.gz OSBKQTDUIPQDAT-WMZOPIPTSA-N 1 3 322.493 2.691 20 0 DFADHO C[N@H+](C[C@H](O)CNCCc1cccc(-c2ccccc2)c1)C1CC1 ZINC000644594149 430763528 /nfs/dbraw/zinc/76/35/28/430763528.db2.gz PDLPDMBWWBKIHD-OAQYLSRUSA-N 1 3 324.468 2.941 20 0 DFADHO C[N@@H+](C[C@H](O)CNCCc1cccc(-c2ccccc2)c1)C1CC1 ZINC000644594149 430763531 /nfs/dbraw/zinc/76/35/31/430763531.db2.gz PDLPDMBWWBKIHD-OAQYLSRUSA-N 1 3 324.468 2.941 20 0 DFADHO FCC1(CF)CC([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000657909827 430764892 /nfs/dbraw/zinc/76/48/92/430764892.db2.gz PETDXNLJFRMTRZ-UHFFFAOYSA-N 1 3 309.404 2.975 20 0 DFADHO c1cc2n(n1)CCC[C@@H]2[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000657910994 430765576 /nfs/dbraw/zinc/76/55/76/430765576.db2.gz YUXLHTSTLAAJNF-KRWDZBQOSA-N 1 3 311.433 2.619 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H](C)c1cc2cnccc2o1 ZINC000657972758 430778218 /nfs/dbraw/zinc/77/82/18/430778218.db2.gz JNFSDOIYIKLREQ-CQSZACIVSA-N 1 3 305.422 2.837 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648416636 430779608 /nfs/dbraw/zinc/77/96/08/430779608.db2.gz RBMKEXYUGGCNCZ-HXUWFJFHSA-N 1 3 315.505 2.550 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1ccc(Cl)cn1 ZINC000658106587 430813339 /nfs/dbraw/zinc/81/33/39/430813339.db2.gz JBBCZEHDWDSIQJ-KBPBESRZSA-N 1 3 312.889 2.658 20 0 DFADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1cc(F)cc(F)c1 ZINC000658110143 430815595 /nfs/dbraw/zinc/81/55/95/430815595.db2.gz VURXKUVTUUBLRU-UONOGXRCSA-N 1 3 313.436 2.887 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1C ZINC000658135293 430820458 /nfs/dbraw/zinc/82/04/58/430820458.db2.gz CZLKIXKVHGPKHA-FDPIWHGQSA-N 1 3 302.462 2.777 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000658136414 430821322 /nfs/dbraw/zinc/82/13/22/430821322.db2.gz IEPVQRUHIOKYHX-MOPGFXCFSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658142858 430823750 /nfs/dbraw/zinc/82/37/50/430823750.db2.gz FCAHAWYLZRYZJP-AYOQOUSVSA-N 1 3 302.462 2.922 20 0 DFADHO CC(C)[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C1CC1 ZINC000658139900 430823835 /nfs/dbraw/zinc/82/38/35/430823835.db2.gz NZGSJBWPMHILRD-OALUTQOASA-N 1 3 302.462 2.777 20 0 DFADHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cncs1 ZINC000658068274 430798140 /nfs/dbraw/zinc/79/81/40/430798140.db2.gz VMHYRWIYKSGDJY-ZDUSSCGKSA-N 1 3 309.479 2.685 20 0 DFADHO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1cccc(OCCN(C)C)c1 ZINC000658254448 430852445 /nfs/dbraw/zinc/85/24/45/430852445.db2.gz NSKGVFAALCNBQF-BMGDILEWSA-N 1 3 318.461 2.581 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc3cnccc3o2)C[C@H](C)O1 ZINC000651721045 430858882 /nfs/dbraw/zinc/85/88/82/430858882.db2.gz RGWVVYKRASEBPY-GASCZTMLSA-N 1 3 317.433 2.807 20 0 DFADHO Nc1cccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665232198 430861318 /nfs/dbraw/zinc/86/13/18/430861318.db2.gz HUQXLUZGQUDGBF-PKOBYXMFSA-N 1 3 309.413 2.614 20 0 DFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1noc2ccccc12 ZINC000665232537 430864582 /nfs/dbraw/zinc/86/45/82/430864582.db2.gz OOXTUQISYFHUFN-RDTXWAMCSA-N 1 3 309.413 2.918 20 0 DFADHO N[C@H]1CCCCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000665240633 430866485 /nfs/dbraw/zinc/86/64/85/430866485.db2.gz PMNUWMQYJVLLJB-OALUTQOASA-N 1 3 316.493 2.543 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC000648724309 430869833 /nfs/dbraw/zinc/86/98/33/430869833.db2.gz QYZMUOHIBDCDSC-KBAYOESNSA-N 1 3 317.477 2.526 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000648724309 430869842 /nfs/dbraw/zinc/86/98/42/430869842.db2.gz QYZMUOHIBDCDSC-KBAYOESNSA-N 1 3 317.477 2.526 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252567 430870196 /nfs/dbraw/zinc/87/01/96/430870196.db2.gz SRZWKXMGKUEYLN-CWFSZBLJSA-N 1 3 324.472 2.645 20 0 DFADHO CCO[C@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H]1C ZINC000648741094 430874835 /nfs/dbraw/zinc/87/48/35/430874835.db2.gz VGXRVLDTFMMIDP-APWZRJJASA-N 1 3 320.477 2.874 20 0 DFADHO CCO[C@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H]1C ZINC000648741094 430874840 /nfs/dbraw/zinc/87/48/40/430874840.db2.gz VGXRVLDTFMMIDP-APWZRJJASA-N 1 3 320.477 2.874 20 0 DFADHO CCO[C@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC000648741094 430874842 /nfs/dbraw/zinc/87/48/42/430874842.db2.gz VGXRVLDTFMMIDP-APWZRJJASA-N 1 3 320.477 2.874 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665267240 430876246 /nfs/dbraw/zinc/87/62/46/430876246.db2.gz SJLJMBSYQCZCQI-WBVHZDCISA-N 1 3 316.493 2.906 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665267240 430876248 /nfs/dbraw/zinc/87/62/48/430876248.db2.gz SJLJMBSYQCZCQI-WBVHZDCISA-N 1 3 316.493 2.906 20 0 DFADHO c1ccc([C@H]2CC[C@H]2N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000665273710 430878132 /nfs/dbraw/zinc/87/81/32/430878132.db2.gz CELMQTGYGGTQJE-ICBNADEASA-N 1 3 300.446 2.679 20 0 DFADHO CCCN1CCC([NH2+]C[C@H]2CCN2Cc2ccccc2)CC1 ZINC000658348863 430882964 /nfs/dbraw/zinc/88/29/64/430882964.db2.gz SLRCDKSSXTWFGI-LJQANCHMSA-N 1 3 301.478 2.725 20 0 DFADHO CCC[NH+]1CCC(NC[C@H]2CCN2Cc2ccccc2)CC1 ZINC000658348863 430882967 /nfs/dbraw/zinc/88/29/67/430882967.db2.gz SLRCDKSSXTWFGI-LJQANCHMSA-N 1 3 301.478 2.725 20 0 DFADHO Cc1ccc([C@H](CCn2cncn2)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665282529 430883035 /nfs/dbraw/zinc/88/30/35/430883035.db2.gz ZQSFNNZRVJFVHB-MSOLQXFVSA-N 1 3 315.465 2.681 20 0 DFADHO FC1(F)Oc2ccc(CCN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2O1 ZINC000652038175 430942814 /nfs/dbraw/zinc/94/28/14/430942814.db2.gz LRMJWILURXFXIJ-ZIAGYGMSSA-N 1 3 324.371 2.767 20 0 DFADHO FC1(F)Oc2ccc(CCN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2O1 ZINC000652038175 430942818 /nfs/dbraw/zinc/94/28/18/430942818.db2.gz LRMJWILURXFXIJ-ZIAGYGMSSA-N 1 3 324.371 2.767 20 0 DFADHO O[C@H]1CCN(C2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C1 ZINC000662155471 430983354 /nfs/dbraw/zinc/98/33/54/430983354.db2.gz JIWGZSZQUGTHFP-SFHVURJKSA-N 1 3 322.880 2.804 20 0 DFADHO CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652201152 430984347 /nfs/dbraw/zinc/98/43/47/430984347.db2.gz XCCVYNPRVQBFLH-UKRRQHHQSA-N 1 3 324.465 2.951 20 0 DFADHO CCO[C@H]1C[C@@H](NCCC[N@H+](C)CC(C)C)C12CCOCC2 ZINC000652221907 430991138 /nfs/dbraw/zinc/99/11/38/430991138.db2.gz ACBWZBBADXIMHX-SJORKVTESA-N 1 3 312.498 2.528 20 0 DFADHO CCO[C@H]1C[C@@H](NCCC[N@@H+](C)CC(C)C)C12CCOCC2 ZINC000652221907 430991139 /nfs/dbraw/zinc/99/11/39/430991139.db2.gz ACBWZBBADXIMHX-SJORKVTESA-N 1 3 312.498 2.528 20 0 DFADHO CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662258681 431019634 /nfs/dbraw/zinc/01/96/34/431019634.db2.gz YZBMQWPYERKXJW-ROUUACIJSA-N 1 3 302.462 2.851 20 0 DFADHO CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662258681 431019637 /nfs/dbraw/zinc/01/96/37/431019637.db2.gz YZBMQWPYERKXJW-ROUUACIJSA-N 1 3 302.462 2.851 20 0 DFADHO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662256596 431020312 /nfs/dbraw/zinc/02/03/12/431020312.db2.gz WSQBBNGYUKYCSR-COXVUDFISA-N 1 3 304.409 2.730 20 0 DFADHO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662256596 431020314 /nfs/dbraw/zinc/02/03/14/431020314.db2.gz WSQBBNGYUKYCSR-COXVUDFISA-N 1 3 304.409 2.730 20 0 DFADHO Cc1nn(C)cc1[C@@H]1CCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000662261906 431022968 /nfs/dbraw/zinc/02/29/68/431022968.db2.gz CGDTUXGMRXMXIX-IBGZPJMESA-N 1 3 310.445 2.711 20 0 DFADHO CC(C)c1cccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000662271491 431027835 /nfs/dbraw/zinc/02/78/35/431027835.db2.gz HSHPWCYJERMJIG-SFHVURJKSA-N 1 3 317.477 2.630 20 0 DFADHO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662281705 431033441 /nfs/dbraw/zinc/03/34/41/431033441.db2.gz LCYPJYUNYBEYSZ-KSZLIROESA-N 1 3 300.446 2.508 20 0 DFADHO C[C@H](C(=O)NC1CCCCC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298030 431037572 /nfs/dbraw/zinc/03/75/72/431037572.db2.gz UEGVHVHOXPJIOL-NVXWUHKLSA-N 1 3 321.509 2.535 20 0 DFADHO CC[C@H](NC)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000662388378 431069661 /nfs/dbraw/zinc/06/96/61/431069661.db2.gz NUOVIZFPDHRLFR-PBHICJAKSA-N 1 3 303.450 2.998 20 0 DFADHO CC[C@H](NC)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000662388378 431069666 /nfs/dbraw/zinc/06/96/66/431069666.db2.gz NUOVIZFPDHRLFR-PBHICJAKSA-N 1 3 303.450 2.998 20 0 DFADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297799 431039140 /nfs/dbraw/zinc/03/91/40/431039140.db2.gz RYJBCORMPWHXJW-FUHWJXTLSA-N 1 3 323.525 2.591 20 0 DFADHO NCC12CC(C1)C[N@@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000662308080 431042724 /nfs/dbraw/zinc/04/27/24/431042724.db2.gz WAOIJVACJHBYCY-UHFFFAOYSA-N 1 3 309.413 2.592 20 0 DFADHO NCC12CC(C1)C[N@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000662308080 431042730 /nfs/dbraw/zinc/04/27/30/431042730.db2.gz WAOIJVACJHBYCY-UHFFFAOYSA-N 1 3 309.413 2.592 20 0 DFADHO C[C@@H]1CCCN(CC(=O)N(C2CC2)C2CCCC2)[C@@H]1CCC[NH3+] ZINC000662313668 431044599 /nfs/dbraw/zinc/04/45/99/431044599.db2.gz KQBJXZOBUURWGB-CRAIPNDOSA-N 1 3 321.509 2.759 20 0 DFADHO C[NH+](C)C1(CNC(=O)c2cccc3c2CNC3)CCCCCC1 ZINC000662368835 431061330 /nfs/dbraw/zinc/06/13/30/431061330.db2.gz ZWUMULFVKACVCL-UHFFFAOYSA-N 1 3 315.461 2.674 20 0 DFADHO CC[C@@H](NC)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000662388382 431068176 /nfs/dbraw/zinc/06/81/76/431068176.db2.gz NUOVIZFPDHRLFR-WMLDXEAASA-N 1 3 303.450 2.998 20 0 DFADHO CC[C@@H](NC)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000662388382 431068178 /nfs/dbraw/zinc/06/81/78/431068178.db2.gz NUOVIZFPDHRLFR-WMLDXEAASA-N 1 3 303.450 2.998 20 0 DFADHO CN(Cc1ccccc1C(F)(F)F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248638 431012381 /nfs/dbraw/zinc/01/23/81/431012381.db2.gz IKBMUQYIDQLKSL-ZDUSSCGKSA-N 1 3 314.351 2.658 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@H]([NH3+])C(C)C)c1ccsc1 ZINC000645485336 431013566 /nfs/dbraw/zinc/01/35/66/431013566.db2.gz JQLUDZZUHCBMAI-LSDHHAIUSA-N 1 3 311.495 2.621 20 0 DFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000659292122 431014225 /nfs/dbraw/zinc/01/42/25/431014225.db2.gz OMRMRCGUPXPOTE-FZKQIMNGSA-N 1 3 309.413 2.557 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]([NH3+])C(C)C)c1ccsc1 ZINC000645485333 431014472 /nfs/dbraw/zinc/01/44/72/431014472.db2.gz JQLUDZZUHCBMAI-CABCVRRESA-N 1 3 311.495 2.621 20 0 DFADHO Fc1ccc(C[N@H+](CC2CC2)C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662255506 431015529 /nfs/dbraw/zinc/01/55/29/431015529.db2.gz QLYHKEMFYUZUIR-QGZVFWFLSA-N 1 3 304.409 2.559 20 0 DFADHO Fc1ccc(C[N@@H+](CC2CC2)C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662255506 431015533 /nfs/dbraw/zinc/01/55/33/431015533.db2.gz QLYHKEMFYUZUIR-QGZVFWFLSA-N 1 3 304.409 2.559 20 0 DFADHO C[C@@]1(c2ccccc2)CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662254790 431015831 /nfs/dbraw/zinc/01/58/31/431015831.db2.gz MBKOSIXPNLELHV-QZTJIDSGSA-N 1 3 300.446 2.561 20 0 DFADHO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662254790 431015834 /nfs/dbraw/zinc/01/58/34/431015834.db2.gz MBKOSIXPNLELHV-QZTJIDSGSA-N 1 3 300.446 2.561 20 0 DFADHO c1ccc(CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C2CCCC2)cc1 ZINC000662255700 431016140 /nfs/dbraw/zinc/01/61/40/431016140.db2.gz CLWUUVCKSOQCEO-IBGZPJMESA-N 1 3 314.473 2.995 20 0 DFADHO c1ccc(CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C2CCCC2)cc1 ZINC000662255700 431016143 /nfs/dbraw/zinc/01/61/43/431016143.db2.gz CLWUUVCKSOQCEO-IBGZPJMESA-N 1 3 314.473 2.995 20 0 DFADHO OCCN(Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC000662254236 431016635 /nfs/dbraw/zinc/01/66/35/431016635.db2.gz GBFCEVMAYYINTO-OAQYLSRUSA-N 1 3 322.452 2.814 20 0 DFADHO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662257904 431018672 /nfs/dbraw/zinc/01/86/72/431018672.db2.gz SUFACQAURJPHBK-ZWKOTPCHSA-N 1 3 320.452 2.846 20 0 DFADHO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662257904 431018674 /nfs/dbraw/zinc/01/86/74/431018674.db2.gz SUFACQAURJPHBK-ZWKOTPCHSA-N 1 3 320.452 2.846 20 0 DFADHO Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662257917 431019206 /nfs/dbraw/zinc/01/92/06/431019206.db2.gz RILADUXQLAKZOA-MSOLQXFVSA-N 1 3 300.446 2.523 20 0 DFADHO Cc1ccc(C[C@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662257917 431019211 /nfs/dbraw/zinc/01/92/11/431019211.db2.gz RILADUXQLAKZOA-MSOLQXFVSA-N 1 3 300.446 2.523 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)c1cccc2c1CCNC2 ZINC000662400049 431072527 /nfs/dbraw/zinc/07/25/27/431072527.db2.gz ZKCXCTCZBPLQSS-UHFFFAOYSA-N 1 3 309.413 2.694 20 0 DFADHO CC[C@H]([NH2+]C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000662401663 431074033 /nfs/dbraw/zinc/07/40/33/431074033.db2.gz ZBVWTPGQXXRHNY-ZWKOTPCHSA-N 1 3 317.477 2.574 20 0 DFADHO O=C(NCCCCC[NH+]1CCCCC1)c1cccc2c1CNC2 ZINC000662454014 431085713 /nfs/dbraw/zinc/08/57/13/431085713.db2.gz HUYXYYCAMTUIER-UHFFFAOYSA-N 1 3 315.461 2.676 20 0 DFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662450622 431085912 /nfs/dbraw/zinc/08/59/12/431085912.db2.gz UBQPXBPCWUJGNL-RVKKMQEKSA-N 1 3 315.461 2.600 20 0 DFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662450622 431085918 /nfs/dbraw/zinc/08/59/18/431085918.db2.gz UBQPXBPCWUJGNL-RVKKMQEKSA-N 1 3 315.461 2.600 20 0 DFADHO CO[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655696946 431088129 /nfs/dbraw/zinc/08/81/29/431088129.db2.gz CUVUJSMSWBLPBT-RTBURBONSA-N 1 3 318.461 2.607 20 0 DFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000649411725 431093119 /nfs/dbraw/zinc/09/31/19/431093119.db2.gz ZHBFLMFZHIJING-QFBILLFUSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000649411725 431093123 /nfs/dbraw/zinc/09/31/23/431093123.db2.gz ZHBFLMFZHIJING-QFBILLFUSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000649411725 431093126 /nfs/dbraw/zinc/09/31/26/431093126.db2.gz ZHBFLMFZHIJING-QFBILLFUSA-N 1 3 311.429 2.970 20 0 DFADHO CCN1C[C@@H](CN(C)CC[C@@H]2CCC[NH2+]C2)Oc2ccccc21 ZINC000649411423 431093390 /nfs/dbraw/zinc/09/33/90/431093390.db2.gz WPNHOYXTYUTGBA-DLBZAZTESA-N 1 3 317.477 2.595 20 0 DFADHO CC(C)[NH+](CCCNC(=O)C[C@@H]1NCc2ccccc21)C(C)C ZINC000662487583 431094944 /nfs/dbraw/zinc/09/49/44/431094944.db2.gz YPJNJPAEAYXXDV-SFHVURJKSA-N 1 3 317.477 2.846 20 0 DFADHO COc1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000655732462 431105080 /nfs/dbraw/zinc/10/50/80/431105080.db2.gz CGILUPYBBVSTQG-IBGZPJMESA-N 1 3 318.461 2.737 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000662594447 431128934 /nfs/dbraw/zinc/12/89/34/431128934.db2.gz SSXIUSDRKVLYDU-CVEARBPZSA-N 1 3 309.498 2.521 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000662594447 431128940 /nfs/dbraw/zinc/12/89/40/431128940.db2.gz SSXIUSDRKVLYDU-CVEARBPZSA-N 1 3 309.498 2.521 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000101650216 279101239 /nfs/dbraw/zinc/10/12/39/279101239.db2.gz QVSXJFQPMQSJNB-NXOAAHMSSA-N 1 3 311.514 2.874 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H]1COC2(CCCCCC2)O1 ZINC000245563467 288107303 /nfs/dbraw/zinc/10/73/03/288107303.db2.gz NAYABOAAYANNEZ-WCXIOVBPSA-N 1 3 310.482 2.771 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1COC2(CCCCCC2)O1 ZINC000245563467 288107304 /nfs/dbraw/zinc/10/73/04/288107304.db2.gz NAYABOAAYANNEZ-WCXIOVBPSA-N 1 3 310.482 2.771 20 0 DFADHO CC(C)[NH2+]CCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000646071464 431168596 /nfs/dbraw/zinc/16/85/96/431168596.db2.gz NWRIEGGBHWNMQJ-WMLDXEAASA-N 1 3 323.506 2.635 20 0 DFADHO C[NH+](C)[C@H]1C[C@@H](CNCc2sccc2Br)C1 ZINC000655827000 431170908 /nfs/dbraw/zinc/17/09/08/431170908.db2.gz LZRAHCYNIAYBSG-AOOOYVTPSA-N 1 3 303.269 2.940 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2NCc3ccccc32)C[C@H]1C ZINC000662743833 431184332 /nfs/dbraw/zinc/18/43/32/431184332.db2.gz VMBYEZPQHHFKEV-UWWQBHOKSA-N 1 3 315.461 2.552 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2NCc3ccccc32)C[C@H]1C ZINC000662743833 431184341 /nfs/dbraw/zinc/18/43/41/431184341.db2.gz VMBYEZPQHHFKEV-UWWQBHOKSA-N 1 3 315.461 2.552 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000659937306 431200211 /nfs/dbraw/zinc/20/02/11/431200211.db2.gz YQOFRPZILOBNJX-GOSISDBHSA-N 1 3 308.441 2.534 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000659937306 431200218 /nfs/dbraw/zinc/20/02/18/431200218.db2.gz YQOFRPZILOBNJX-GOSISDBHSA-N 1 3 308.441 2.534 20 0 DFADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@@H]3CCC[C@@H](O)C3)C2)CC1 ZINC000659865815 431157783 /nfs/dbraw/zinc/15/77/83/431157783.db2.gz QJQSEFVMZWIRLL-CEXWTWQISA-N 1 3 308.510 2.981 20 0 DFADHO CC1CCN(C[C@@H]2CCC[N@H+](C[C@@H]3CCC[C@@H](O)C3)C2)CC1 ZINC000659865815 431157790 /nfs/dbraw/zinc/15/77/90/431157790.db2.gz QJQSEFVMZWIRLL-CEXWTWQISA-N 1 3 308.510 2.981 20 0 DFADHO CC1CCN(C[C@@H]2CCC[N@@H+](C[C@@H]3CCC[C@@H](O)C3)C2)CC1 ZINC000659865815 431157798 /nfs/dbraw/zinc/15/77/98/431157798.db2.gz QJQSEFVMZWIRLL-CEXWTWQISA-N 1 3 308.510 2.981 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000655910301 431212552 /nfs/dbraw/zinc/21/25/52/431212552.db2.gz XEQDCFOMMHFGCZ-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000655909410 431214845 /nfs/dbraw/zinc/21/48/45/431214845.db2.gz JBRYBDPKSKOIML-IAGOWNOFSA-N 1 3 316.449 2.544 20 0 DFADHO c1cnc2nc(C3CCN(C[C@@H]4CCC[NH2+]C4)CC3)ccc2c1 ZINC000655947397 431225483 /nfs/dbraw/zinc/22/54/83/431225483.db2.gz SEEXPZCWWOJGQJ-OAHLLOKOSA-N 1 3 310.445 2.809 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000655948031 431225921 /nfs/dbraw/zinc/22/59/21/431225921.db2.gz WHTFFUMQAMQNLL-APWZRJJASA-N 1 3 318.461 2.771 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000655948031 431225927 /nfs/dbraw/zinc/22/59/27/431225927.db2.gz WHTFFUMQAMQNLL-APWZRJJASA-N 1 3 318.461 2.771 20 0 DFADHO COC1([C@@H](C)[NH2+]Cc2ccc(OCCN(C)C)cc2)CCC1 ZINC000666454010 431237252 /nfs/dbraw/zinc/23/72/52/431237252.db2.gz LOSQSRYXCPFMDZ-OAHLLOKOSA-N 1 3 306.450 2.674 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662971688 431244134 /nfs/dbraw/zinc/24/41/34/431244134.db2.gz JOGOCXSORAXUMI-GOSISDBHSA-N 1 3 321.509 2.522 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663002305 431253522 /nfs/dbraw/zinc/25/35/22/431253522.db2.gz CYFQHXMGGAGLEA-QZTJIDSGSA-N 1 3 321.509 2.522 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663002305 431253528 /nfs/dbraw/zinc/25/35/28/431253528.db2.gz CYFQHXMGGAGLEA-QZTJIDSGSA-N 1 3 321.509 2.522 20 0 DFADHO CCC(C)(C)[NH+]1CCN([C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000656200769 431305548 /nfs/dbraw/zinc/30/55/48/431305548.db2.gz QEDCBYQOLDONPT-HNNXBMFYSA-N 1 3 304.482 2.716 20 0 DFADHO CCOCCOCc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000656197189 431305656 /nfs/dbraw/zinc/30/56/56/431305656.db2.gz MLJUBTLMQXQQPT-MSOLQXFVSA-N 1 3 306.450 2.599 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000656197911 431306108 /nfs/dbraw/zinc/30/61/08/431306108.db2.gz DMUIXBZSOLSNIN-DLBZAZTESA-N 1 3 316.493 2.899 20 0 DFADHO COc1ccccc1C[C@@H](NC[C@@H](O)C[N@H+](C)C(C)C)C(C)C ZINC000660257754 431345146 /nfs/dbraw/zinc/34/51/46/431345146.db2.gz WSSSPTZPBPRXCC-QZTJIDSGSA-N 1 3 322.493 2.553 20 0 DFADHO COc1ccccc1C[C@@H](NC[C@@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000660257754 431345150 /nfs/dbraw/zinc/34/51/50/431345150.db2.gz WSSSPTZPBPRXCC-QZTJIDSGSA-N 1 3 322.493 2.553 20 0 DFADHO CN(C)CCOc1ccc(CNCC2([NH3+])CCCCCC2)cc1 ZINC000666808167 431365561 /nfs/dbraw/zinc/36/55/61/431365561.db2.gz JHFLWZYKTSAXCR-UHFFFAOYSA-N 1 3 319.493 2.768 20 0 DFADHO Brc1csc(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000666950947 431419381 /nfs/dbraw/zinc/41/93/81/431419381.db2.gz SDROMSVZPALGGI-NSHDSACASA-N 1 3 301.253 2.742 20 0 DFADHO COc1cc(CN[C@@H]2CC23CC[NH2+]CC3)ccc1OC(F)F ZINC000666950708 431420482 /nfs/dbraw/zinc/42/04/82/431420482.db2.gz BSKZNRSYHFSLRT-CQSZACIVSA-N 1 3 312.360 2.528 20 0 DFADHO c1ccc(COc2ccccc2CN[C@@H]2CC23CC[NH2+]CC3)nc1 ZINC000666952219 431423073 /nfs/dbraw/zinc/42/30/73/431423073.db2.gz KSFVWRWPEAWZKJ-LJQANCHMSA-N 1 3 323.440 2.892 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)N[C@H]2CCC[NH2+]CC2)c1C ZINC000666857761 431386392 /nfs/dbraw/zinc/38/63/92/431386392.db2.gz HYPANMJJEHZVKX-ZBFHGGJFSA-N 1 3 303.450 2.752 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995189 431437258 /nfs/dbraw/zinc/43/72/58/431437258.db2.gz FOWWSQSXLSZTLH-JKSUJKDBSA-N 1 3 315.461 2.976 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995189 431437263 /nfs/dbraw/zinc/43/72/63/431437263.db2.gz FOWWSQSXLSZTLH-JKSUJKDBSA-N 1 3 315.461 2.976 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)cc1OC ZINC000666995243 431437696 /nfs/dbraw/zinc/43/76/96/431437696.db2.gz HMHWJCLTWGJOLF-ZBFHGGJFSA-N 1 3 318.461 2.899 20 0 DFADHO COc1ccc(C[C@@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666995243 431437701 /nfs/dbraw/zinc/43/77/01/431437701.db2.gz HMHWJCLTWGJOLF-ZBFHGGJFSA-N 1 3 318.461 2.899 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995292 431438853 /nfs/dbraw/zinc/43/88/53/431438853.db2.gz JSNNAZPBOIPUSG-XJKSGUPXSA-N 1 3 319.424 2.807 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995292 431438858 /nfs/dbraw/zinc/43/88/58/431438858.db2.gz JSNNAZPBOIPUSG-XJKSGUPXSA-N 1 3 319.424 2.807 20 0 DFADHO Clc1ccc(CN2CCC(NCC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000663497304 431443490 /nfs/dbraw/zinc/44/34/90/431443490.db2.gz DJRPNRWEDXBOIW-UHFFFAOYSA-N 1 3 319.880 2.646 20 0 DFADHO Clc1ccc(CN2CCC([NH2+]CC34CC(C3)CN4)CC2)cc1 ZINC000663497304 431443495 /nfs/dbraw/zinc/44/34/95/431443495.db2.gz DJRPNRWEDXBOIW-UHFFFAOYSA-N 1 3 319.880 2.646 20 0 DFADHO COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466042 431433150 /nfs/dbraw/zinc/43/31/50/431433150.db2.gz NIYAZKXSRCSADB-MOPGFXCFSA-N 1 3 324.509 2.530 20 0 DFADHO COC[C@H](CC1CCOCC1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466042 431433156 /nfs/dbraw/zinc/43/31/56/431433156.db2.gz NIYAZKXSRCSADB-MOPGFXCFSA-N 1 3 324.509 2.530 20 0 DFADHO COC[C@H](CC1CCOCC1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466042 431433159 /nfs/dbraw/zinc/43/31/59/431433159.db2.gz NIYAZKXSRCSADB-MOPGFXCFSA-N 1 3 324.509 2.530 20 0 DFADHO COc1cccc(SCC[N@@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000660617364 431517672 /nfs/dbraw/zinc/51/76/72/431517672.db2.gz XITSYYMWCCZWAS-KRWDZBQOSA-N 1 3 306.475 2.815 20 0 DFADHO COc1cccc(SCC[N@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000660617364 431517677 /nfs/dbraw/zinc/51/76/77/431517677.db2.gz XITSYYMWCCZWAS-KRWDZBQOSA-N 1 3 306.475 2.815 20 0 DFADHO c1cc2c(c(CN3CCC[C@H](C4CC[NH2+]CC4)C3)c1)OCO2 ZINC000656785138 431522768 /nfs/dbraw/zinc/52/27/68/431522768.db2.gz JJYHWBMQUDGMJB-HNNXBMFYSA-N 1 3 302.418 2.627 20 0 DFADHO C[C@]1(CNC[C@@H]2CCN(c3ccccc3Cl)C2)CC[NH2+]C1 ZINC000656787345 431522992 /nfs/dbraw/zinc/52/29/92/431522992.db2.gz HURXSIZGRJVBAF-YOEHRIQHSA-N 1 3 307.869 2.756 20 0 DFADHO Cc1cccc2ncc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)n21 ZINC000656785935 431523739 /nfs/dbraw/zinc/52/37/39/431523739.db2.gz NNDZLQZECPSWJD-QGZVFWFLSA-N 1 3 312.461 2.854 20 0 DFADHO c1cc([C@H]2CNCCO2)ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000656792595 431524435 /nfs/dbraw/zinc/52/44/35/431524435.db2.gz MBKFOBOXCLLXIE-LJQANCHMSA-N 1 3 315.461 2.634 20 0 DFADHO c1cc2c(cc1CNc1ccc([C@H]3CNCCO3)cc1)C[NH2+]CC2 ZINC000656790960 431524866 /nfs/dbraw/zinc/52/48/66/431524866.db2.gz BTXLTWNBQRFVJB-HXUWFJFHSA-N 1 3 323.440 2.605 20 0 DFADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)[C@@]1(O)CCOC1 ZINC000647247590 431529580 /nfs/dbraw/zinc/52/95/80/431529580.db2.gz SYHOQRUPNWQOCZ-LJQANCHMSA-N 1 3 324.509 2.551 20 0 DFADHO CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)[C@@]1(O)CCOC1 ZINC000647247590 431529586 /nfs/dbraw/zinc/52/95/86/431529586.db2.gz SYHOQRUPNWQOCZ-LJQANCHMSA-N 1 3 324.509 2.551 20 0 DFADHO c1cc(CNCCCCC[NH+]2CCCC2)n(-c2ccccn2)n1 ZINC000647213115 431512670 /nfs/dbraw/zinc/51/26/70/431512670.db2.gz OKPJLEBMKQMHJN-UHFFFAOYSA-N 1 3 313.449 2.623 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](CC(C)C)c2ccncc2)CC1 ZINC000647282544 431536863 /nfs/dbraw/zinc/53/68/63/431536863.db2.gz CTWVPZRXIBWUMK-LJQANCHMSA-N 1 3 318.509 2.786 20 0 DFADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000660665890 431538596 /nfs/dbraw/zinc/53/85/96/431538596.db2.gz YVRANEMKSALUQC-LJQANCHMSA-N 1 3 310.445 2.790 20 0 DFADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000660665890 431538597 /nfs/dbraw/zinc/53/85/97/431538597.db2.gz YVRANEMKSALUQC-LJQANCHMSA-N 1 3 310.445 2.790 20 0 DFADHO COc1cncc(/C=C/CCN2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660662413 431539882 /nfs/dbraw/zinc/53/98/82/431539882.db2.gz KAIKANAVIDGEKM-NAASZUNDSA-N 1 3 315.461 2.911 20 0 DFADHO COc1cncc(/C=C/CCN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660662413 431539886 /nfs/dbraw/zinc/53/98/86/431539886.db2.gz KAIKANAVIDGEKM-NAASZUNDSA-N 1 3 315.461 2.911 20 0 DFADHO O[C@@H]1CCC[C@@H](CN2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000660675259 431544669 /nfs/dbraw/zinc/54/46/69/431544669.db2.gz HAXWWUYPYMKGDH-IEBWSBKVSA-N 1 3 302.462 2.792 20 0 DFADHO Cc1cccc2c1CC(C)(C)[N@H+](C[C@@H](O)CN(C)C(C)C)C2 ZINC000660672063 431546083 /nfs/dbraw/zinc/54/60/83/431546083.db2.gz SKNKMYRLRFIWRF-KRWDZBQOSA-N 1 3 304.478 2.833 20 0 DFADHO Cc1cccc2c1CC(C)(C)[N@@H+](C[C@@H](O)CN(C)C(C)C)C2 ZINC000660672063 431546085 /nfs/dbraw/zinc/54/60/85/431546085.db2.gz SKNKMYRLRFIWRF-KRWDZBQOSA-N 1 3 304.478 2.833 20 0 DFADHO CC(C)[C@H](C(=O)NCC1(C[NH+](C)C)CCCC1)N1CCCCC1 ZINC000354083121 280169495 /nfs/dbraw/zinc/16/94/95/280169495.db2.gz MKFBSKJJORJHRV-QGZVFWFLSA-N 1 3 323.525 2.735 20 0 DFADHO CC[C@@H]1CCCCN1C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000366885248 280240584 /nfs/dbraw/zinc/24/05/84/280240584.db2.gz PPDHOSWGICBHCX-QGZVFWFLSA-N 1 3 321.509 2.585 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3scnc3C3CC3)C2)C1 ZINC000650707743 431653383 /nfs/dbraw/zinc/65/33/83/431653383.db2.gz MGLRRVKRLOKGBG-KFWWJZLASA-N 1 3 321.490 2.739 20 0 DFADHO Cc1cc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1F ZINC000650707082 431653962 /nfs/dbraw/zinc/65/39/62/431653962.db2.gz YDBQHQPLNPAWRU-LZLYRXPVSA-N 1 3 306.425 2.852 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)C1 ZINC000650705868 431654606 /nfs/dbraw/zinc/65/46/06/431654606.db2.gz ZFTOOUFLHNBGAE-JJRVBVJISA-N 1 3 310.388 2.683 20 0 DFADHO Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CCN)ccc1-n1cncn1 ZINC000650711013 431656040 /nfs/dbraw/zinc/65/60/40/431656040.db2.gz GHVJVOWTMWXUQG-YOEHRIQHSA-N 1 3 313.449 2.525 20 0 DFADHO Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CCN)ccc1-n1cncn1 ZINC000650711013 431656046 /nfs/dbraw/zinc/65/60/46/431656046.db2.gz GHVJVOWTMWXUQG-YOEHRIQHSA-N 1 3 313.449 2.525 20 0 DFADHO Cc1cc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1-n1cncn1 ZINC000650711013 431656047 /nfs/dbraw/zinc/65/60/47/431656047.db2.gz GHVJVOWTMWXUQG-YOEHRIQHSA-N 1 3 313.449 2.525 20 0 DFADHO Cc1nn(-c2ccncc2)cc1CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650711200 431656157 /nfs/dbraw/zinc/65/61/57/431656157.db2.gz LJRNXCNGGVPNNS-KBXCAEBGSA-N 1 3 313.449 2.525 20 0 DFADHO COc1cccc(-c2n[nH]cc2CN2CCC([C@H](C)[NH3+])CC2)c1 ZINC000647492121 431605721 /nfs/dbraw/zinc/60/57/21/431605721.db2.gz GDDVJELQBFRLJK-ZDUSSCGKSA-N 1 3 314.433 2.645 20 0 DFADHO Cc1ccccc1CN1CCCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000647513775 431611615 /nfs/dbraw/zinc/61/16/15/431611615.db2.gz CAUHPTSUPBCQDE-LJQANCHMSA-N 1 3 301.478 2.502 20 0 DFADHO [NH3+]CC1(CCNCc2ccc(Br)cc2F)CC1 ZINC000650712216 431660597 /nfs/dbraw/zinc/66/05/97/431660597.db2.gz WTONHWQFOJVOAM-UHFFFAOYSA-N 1 3 301.203 2.807 20 0 DFADHO c1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c2c(c1)OCCCO2 ZINC000357091734 280466725 /nfs/dbraw/zinc/46/67/25/280466725.db2.gz WQYXDXQKMGWQJB-INIZCTEOSA-N 1 3 316.445 2.669 20 0 DFADHO CC[N@H+](CCC1CCN(Cc2ccc(N)nc2)CC1)CC1CC1 ZINC000647538056 431622145 /nfs/dbraw/zinc/62/21/45/431622145.db2.gz DWWRRDANSFZGPV-UHFFFAOYSA-N 1 3 316.493 2.828 20 0 DFADHO CC[N@@H+](CCC1CCN(Cc2ccc(N)nc2)CC1)CC1CC1 ZINC000647538056 431622147 /nfs/dbraw/zinc/62/21/47/431622147.db2.gz DWWRRDANSFZGPV-UHFFFAOYSA-N 1 3 316.493 2.828 20 0 DFADHO CC(C)(C)n1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542763 431622996 /nfs/dbraw/zinc/62/29/96/431622996.db2.gz BNWGGKISVOBOTC-IRXDYDNUSA-N 1 3 304.482 2.850 20 0 DFADHO Cc1ccc(-c2nn(C)cc2CN2CCC3(CC[NH2+]C3)CC2)o1 ZINC000647542425 431623107 /nfs/dbraw/zinc/62/31/07/431623107.db2.gz FZQLORMFRYIUPU-UHFFFAOYSA-N 1 3 314.433 2.564 20 0 DFADHO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H](c2ccccc2)C1(C)C ZINC000660840559 431624075 /nfs/dbraw/zinc/62/40/75/431624075.db2.gz YWUONDTXTNODTF-MSOLQXFVSA-N 1 3 304.478 2.956 20 0 DFADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H](c2ccccc2)C1(C)C ZINC000660840559 431624079 /nfs/dbraw/zinc/62/40/79/431624079.db2.gz YWUONDTXTNODTF-MSOLQXFVSA-N 1 3 304.478 2.956 20 0 DFADHO c1cc2c(cc1CN1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000647543498 431625167 /nfs/dbraw/zinc/62/51/67/431625167.db2.gz OKLIQTOAZYFURT-IAGOWNOFSA-N 1 3 316.445 2.669 20 0 DFADHO [NH3+]Cc1ccc(CNC[C@@H]2CCOc3ccccc32)c(F)c1 ZINC000650717779 431661298 /nfs/dbraw/zinc/66/12/98/431661298.db2.gz MBCVXQKEPGUMBV-AWEZNQCLSA-N 1 3 300.377 2.940 20 0 DFADHO COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000657308469 431664329 /nfs/dbraw/zinc/66/43/29/431664329.db2.gz ZRQSEFGLEIGFNT-RDJZCZTQSA-N 1 3 318.461 2.674 20 0 DFADHO COc1ccc(C)cc1CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650721869 431665835 /nfs/dbraw/zinc/66/58/35/431665835.db2.gz DTMVLUJFXQVYLS-YQVWRLOYSA-N 1 3 318.461 2.864 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cnc(C3CC3)s2)C1 ZINC000650723912 431666065 /nfs/dbraw/zinc/66/60/65/431666065.db2.gz VTLNPSPAORHLHM-FVQBIDKESA-N 1 3 321.490 2.881 20 0 DFADHO CCOc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722192 431666548 /nfs/dbraw/zinc/66/65/48/431666548.db2.gz MYHYZXSPCDOUNL-QXAKKESOSA-N 1 3 318.461 2.946 20 0 DFADHO COCc1cccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650724137 431669606 /nfs/dbraw/zinc/66/96/06/431669606.db2.gz YQOOQCVMCPSADF-IPMKNSEASA-N 1 3 318.461 2.694 20 0 DFADHO C[NH2+]Cc1ccccc1CN[C@H](C)CC(=O)Nc1ccccc1 ZINC000650759060 431682730 /nfs/dbraw/zinc/68/27/30/431682730.db2.gz CDGBOGGAAAVVPS-OAHLLOKOSA-N 1 3 311.429 2.913 20 0 DFADHO C[C@H](COCC1CC1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000650760823 431683323 /nfs/dbraw/zinc/68/33/23/431683323.db2.gz NBXAFXZIWLUUNT-BJZITVGISA-N 1 3 316.445 2.647 20 0 DFADHO C[C@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCCNC1 ZINC000650760897 431683886 /nfs/dbraw/zinc/68/38/86/431683886.db2.gz OIWPVCVACKIKKH-WCQYABFASA-N 1 3 312.360 2.528 20 0 DFADHO C[C@H](NCCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCC[NH2+]C1 ZINC000650760897 431683892 /nfs/dbraw/zinc/68/38/92/431683892.db2.gz OIWPVCVACKIKKH-WCQYABFASA-N 1 3 312.360 2.528 20 0 DFADHO COc1c2ccccc2oc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647795892 431689474 /nfs/dbraw/zinc/68/94/74/431689474.db2.gz YWCWJYQTEAQNQY-MGPQQGTHSA-N 1 3 300.402 2.919 20 0 DFADHO C[C@@H]1SCC[C@@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000647804658 431694777 /nfs/dbraw/zinc/69/47/77/431694777.db2.gz WWFUDAHUWLUJIP-NZUILWFCSA-N 1 3 304.459 2.726 20 0 DFADHO Cc1cc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1F ZINC000650722811 431664067 /nfs/dbraw/zinc/66/40/67/431664067.db2.gz BSNNXWFBGPXBSL-KBAYOESNSA-N 1 3 306.425 2.995 20 0 DFADHO CC1CC[NH+](C2CCC(NCc3cnc4n3CCC4)CC2)CC1 ZINC000657416097 431734583 /nfs/dbraw/zinc/73/45/83/431734583.db2.gz QJFRWVPFCGRRCX-UHFFFAOYSA-N 1 3 316.493 2.962 20 0 DFADHO CC[C@H]1CN(CCC(=O)Nc2ccccc2SC)CC[C@H]1[NH3+] ZINC000647938302 431739918 /nfs/dbraw/zinc/73/99/18/431739918.db2.gz JHRVZKJKPXMLSW-UONOGXRCSA-N 1 3 321.490 2.796 20 0 DFADHO CCN(C(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000664340422 431740304 /nfs/dbraw/zinc/74/03/04/431740304.db2.gz IODSBDHWKGSLHH-QGZVFWFLSA-N 1 3 318.465 2.696 20 0 DFADHO CCN(C(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664340422 431740312 /nfs/dbraw/zinc/74/03/12/431740312.db2.gz IODSBDHWKGSLHH-QGZVFWFLSA-N 1 3 318.465 2.696 20 0 DFADHO C[C@H]([NH2+]Cc1cnn2c1CCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000657429192 431747408 /nfs/dbraw/zinc/74/74/08/431747408.db2.gz DSOJNRWBWHSJPJ-WMZOPIPTSA-N 1 3 324.472 2.830 20 0 DFADHO C[C@H](C(=O)NC1CCCCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976908 431762726 /nfs/dbraw/zinc/76/27/26/431762726.db2.gz VYDFFCFDQHXQQX-IXDOHACOSA-N 1 3 321.509 2.535 20 0 DFADHO Fc1cccc(CNCC2CC[NH+](C3CCOCC3)CC2)c1F ZINC000657534671 431800553 /nfs/dbraw/zinc/80/05/53/431800553.db2.gz CFZWJINWJSBKAR-UHFFFAOYSA-N 1 3 324.415 2.945 20 0 DFADHO Fc1ccccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657536000 431800868 /nfs/dbraw/zinc/80/08/68/431800868.db2.gz DRIDVPHHJNOQHI-UHFFFAOYSA-N 1 3 306.425 2.806 20 0 DFADHO CCc1nc2ccccc2n1C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647989927 431766871 /nfs/dbraw/zinc/76/68/71/431766871.db2.gz FIQJXZBYEYVWMZ-OAHLLOKOSA-N 1 3 312.461 2.845 20 0 DFADHO c1cc(CNCCCCC[NH+]2CCCC2)n(-c2ccncc2)n1 ZINC000657474475 431770966 /nfs/dbraw/zinc/77/09/66/431770966.db2.gz KOZVWROLFYFZGL-UHFFFAOYSA-N 1 3 313.449 2.623 20 0 DFADHO COC[C@@H](C)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000657483240 431778154 /nfs/dbraw/zinc/77/81/54/431778154.db2.gz NHUBAYRAMJSJGG-CCNLRDMRSA-N 1 3 318.461 2.815 20 0 DFADHO Oc1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657612692 431825249 /nfs/dbraw/zinc/82/52/49/431825249.db2.gz PFESJCZWFNMZNL-UHFFFAOYSA-N 1 3 311.429 2.789 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C1CCC([NH3+])CC1 ZINC000648152337 431827100 /nfs/dbraw/zinc/82/71/00/431827100.db2.gz ORYLORGHQSPNFJ-UHFFFAOYSA-N 1 3 317.477 2.614 20 0 DFADHO c1ccc([C@@H]2CO[C@H](CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000657657130 431834231 /nfs/dbraw/zinc/83/42/31/431834231.db2.gz WBMDWUHOMFLKGH-OKYOBFRVSA-N 1 3 300.446 2.776 20 0 DFADHO c1ccc([C@@H]2CO[C@H](CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000657657130 431834234 /nfs/dbraw/zinc/83/42/34/431834234.db2.gz WBMDWUHOMFLKGH-OKYOBFRVSA-N 1 3 300.446 2.776 20 0 DFADHO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)O1 ZINC000657662622 431834534 /nfs/dbraw/zinc/83/45/34/431834534.db2.gz DKHBPRKISPJWCG-MAUKXSAKSA-N 1 3 306.450 2.674 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCN(C)CC1)[C@H](C)C2 ZINC000180468008 281091918 /nfs/dbraw/zinc/09/19/18/281091918.db2.gz DXVBDXTYJKCFDY-XLIONFOSSA-N 1 3 315.505 2.846 20 0 DFADHO Cc1ccnc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000286207855 281476424 /nfs/dbraw/zinc/47/64/24/281476424.db2.gz RXLIYWKRAWNWJN-ZACQAIPSSA-N 1 3 305.466 2.930 20 0 DFADHO C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000247451393 289272678 /nfs/dbraw/zinc/27/26/78/289272678.db2.gz ZDVVPEJALHRUHY-XMTFNYHQSA-N 1 3 321.509 2.725 20 0 DFADHO C[C@H](C(=O)N[C@@H](C)C[NH+]1CCCCCC1)N1CCCCCC1 ZINC000359322117 289358896 /nfs/dbraw/zinc/35/88/96/289358896.db2.gz NCCPRPCLPVDCMR-DLBZAZTESA-N 1 3 309.498 2.632 20 0 DFADHO CCOc1ncccc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000436469058 297004379 /nfs/dbraw/zinc/00/43/79/297004379.db2.gz UBYRSBFOILDRAL-UHFFFAOYSA-N 1 3 312.417 2.634 20 0 DFADHO C[C@@H]1CN([C@@H]2C[C@@H]2c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000361348301 297072454 /nfs/dbraw/zinc/07/24/54/297072454.db2.gz JIDJWBGVDUFDBL-RSPOEFSDSA-N 1 3 313.489 2.500 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CC[C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000438114856 297080982 /nfs/dbraw/zinc/08/09/82/297080982.db2.gz PIWMBTMGLSAVLN-LMMKCTJWSA-N 1 3 324.509 2.624 20 0 DFADHO C(=C\c1ccncc1)\CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000494970068 299894037 /nfs/dbraw/zinc/89/40/37/299894037.db2.gz BWCXWPGPKFIQJB-ARJAWSKDSA-N 1 3 315.461 2.672 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000261842237 295121552 /nfs/dbraw/zinc/12/15/52/295121552.db2.gz YUSUUZGJBOSKCQ-ZACQAIPSSA-N 1 3 318.461 2.757 20 0 DFADHO NC1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCC1 ZINC000295952150 295203584 /nfs/dbraw/zinc/20/35/84/295203584.db2.gz HDWRQWCFLXVFKV-UHFFFAOYSA-N 1 3 315.461 2.560 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(F)c(OC)c1 ZINC000154184774 295294018 /nfs/dbraw/zinc/29/40/18/295294018.db2.gz YRASRIMEWMMLSY-HIFRSBDPSA-N 1 3 312.429 2.842 20 0 DFADHO C[C@@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CN1C1CC1 ZINC000157547673 295349840 /nfs/dbraw/zinc/34/98/40/295349840.db2.gz YOVJSIVZEPOSLO-NVXWUHKLSA-N 1 3 305.510 2.998 20 0 DFADHO CC(C)CC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1CC1 ZINC000374701991 295474429 /nfs/dbraw/zinc/47/44/29/295474429.db2.gz MWGBLJRRLBNSKX-PKOBYXMFSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397499181 295487828 /nfs/dbraw/zinc/48/78/28/295487828.db2.gz UISMOQIGSUQZJA-AEFFLSMTSA-N 1 3 302.462 2.792 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000438567816 297099084 /nfs/dbraw/zinc/09/90/84/297099084.db2.gz OIZVTBVDGZKFIB-WMZOPIPTSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000438567816 297099087 /nfs/dbraw/zinc/09/90/87/297099087.db2.gz OIZVTBVDGZKFIB-WMZOPIPTSA-N 1 3 321.509 2.630 20 0 DFADHO CCN(Cc1ccc(C(=O)NCC[NH2+]C(C)(C)C)cc1)C1CC1 ZINC000439503841 297129518 /nfs/dbraw/zinc/12/95/18/297129518.db2.gz ZWMQFWWMMOERII-UHFFFAOYSA-N 1 3 317.477 2.789 20 0 DFADHO CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000439963702 297141329 /nfs/dbraw/zinc/14/13/29/297141329.db2.gz VFFPPWLNIXSLFP-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO CC[NH+]1CCC(CCNCc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440814182 297165985 /nfs/dbraw/zinc/16/59/85/297165985.db2.gz CNFFYWBUJWJCIK-UHFFFAOYSA-N 1 3 304.360 2.640 20 0 DFADHO OC[C@]1([NH2+]CCCN2CCCCC2)CCCc2ccccc21 ZINC000440818292 297166462 /nfs/dbraw/zinc/16/64/62/297166462.db2.gz JECCZFFXZPNFOM-LJQANCHMSA-N 1 3 302.462 2.676 20 0 DFADHO CN1CCN(CC[NH2+]Cc2cnc(C3CCC3)s2)CC1(C)C ZINC000441324669 297179743 /nfs/dbraw/zinc/17/97/43/297179743.db2.gz APWFRHYDVKTAKQ-UHFFFAOYSA-N 1 3 322.522 2.526 20 0 DFADHO CN1CCN(CC[NH2+]Cc2coc3ccccc23)CC1(C)C ZINC000441332507 297180094 /nfs/dbraw/zinc/18/00/94/297180094.db2.gz QLBBWSNGJHGSGV-UHFFFAOYSA-N 1 3 301.434 2.548 20 0 DFADHO CC(C)[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)N1CCCCC1 ZINC000442194447 297192706 /nfs/dbraw/zinc/19/27/06/297192706.db2.gz CQJFCJHLQVTISU-DAWZGUTISA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H](CCCC(F)(F)F)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442877486 297209244 /nfs/dbraw/zinc/20/92/44/297209244.db2.gz URLQZPSBLREVIE-ZDUSSCGKSA-N 1 3 309.420 2.723 20 0 DFADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1OC ZINC000442875240 297209346 /nfs/dbraw/zinc/20/93/46/297209346.db2.gz NOMASVLBNQXQDZ-KRWDZBQOSA-N 1 3 319.493 2.762 20 0 DFADHO [NH3+]CC[C@@H]1CCCN(Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000443055732 297213563 /nfs/dbraw/zinc/21/35/63/297213563.db2.gz BMOYRRYDZMLSNZ-INIZCTEOSA-N 1 3 324.472 2.922 20 0 DFADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCCCC2CCCCC2)C1 ZINC000443060631 297214426 /nfs/dbraw/zinc/21/44/26/297214426.db2.gz PKDPOWOUQQEGSB-QGZVFWFLSA-N 1 3 309.498 2.524 20 0 DFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000443061952 297214509 /nfs/dbraw/zinc/21/45/09/297214509.db2.gz SOWLMBTWVLSRKO-HOTGVXAUSA-N 1 3 303.450 2.691 20 0 DFADHO [NH3+]CC[C@H]1CCCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000443075146 297215386 /nfs/dbraw/zinc/21/53/86/297215386.db2.gz QYPCDGYSZJWZHV-CZUORRHYSA-N 1 3 321.852 2.506 20 0 DFADHO CC[N@H+](CC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCCC[C@H]1C ZINC000444670161 297244128 /nfs/dbraw/zinc/24/41/28/297244128.db2.gz FIIUEDKABDVIHX-CRAIPNDOSA-N 1 3 321.509 2.630 20 0 DFADHO CC[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCCC[C@H]1C ZINC000444670161 297244130 /nfs/dbraw/zinc/24/41/30/297244130.db2.gz FIIUEDKABDVIHX-CRAIPNDOSA-N 1 3 321.509 2.630 20 0 DFADHO CCOC1CC(O)(CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000446850380 297288742 /nfs/dbraw/zinc/28/87/42/297288742.db2.gz YPKOBHMBAXJYNL-FLODPWGTSA-N 1 3 324.509 2.549 20 0 DFADHO CCOC1CC(O)(C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000446850380 297288745 /nfs/dbraw/zinc/28/87/45/297288745.db2.gz YPKOBHMBAXJYNL-FLODPWGTSA-N 1 3 324.509 2.549 20 0 DFADHO C[NH+](C)CCOCCN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000447597653 297310042 /nfs/dbraw/zinc/31/00/42/297310042.db2.gz SYXRIIVFYXUIAC-OAHLLOKOSA-N 1 3 312.841 2.722 20 0 DFADHO CN(C)Cc1ccc(-c2noc(C[C@@H]3CCCC[C@@H]3[NH3+])n2)cc1 ZINC000448546875 297341793 /nfs/dbraw/zinc/34/17/93/297341793.db2.gz OUAMUIOYPLDKLS-HOTGVXAUSA-N 1 3 314.433 2.858 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21)N(C)C ZINC000453117706 298063815 /nfs/dbraw/zinc/06/38/15/298063815.db2.gz ZNQQIKQNXSKDQL-AFYVEPGGSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21)N(C)C ZINC000453117710 298064025 /nfs/dbraw/zinc/06/40/25/298064025.db2.gz ZNQQIKQNXSKDQL-GSEOLPGOSA-N 1 3 315.505 2.969 20 0 DFADHO c1ccc(CN2CC[C@H]([NH2+]CCN3CCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453174786 298068686 /nfs/dbraw/zinc/06/86/86/298068686.db2.gz PAGMJJVZKLPERZ-UFYCRDLUSA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(C[N@H+]2CC[C@H](NCCN3CCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453174786 298068687 /nfs/dbraw/zinc/06/86/87/298068687.db2.gz PAGMJJVZKLPERZ-UFYCRDLUSA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@H](NCCN3CCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453174786 298068689 /nfs/dbraw/zinc/06/86/89/298068689.db2.gz PAGMJJVZKLPERZ-UFYCRDLUSA-N 1 3 313.489 2.725 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)CO2 ZINC000453195956 298071038 /nfs/dbraw/zinc/07/10/38/298071038.db2.gz QJRXGGHCYBIYKR-DOTOQJQBSA-N 1 3 318.461 2.853 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000453260200 298077623 /nfs/dbraw/zinc/07/76/23/298077623.db2.gz CSYKJZATJNSNNU-NHYWBVRUSA-N 1 3 300.805 2.788 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000453260200 298077624 /nfs/dbraw/zinc/07/76/24/298077624.db2.gz CSYKJZATJNSNNU-NHYWBVRUSA-N 1 3 300.805 2.788 20 0 DFADHO C[C@H]([NH2+]CC1=CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000453299982 298081185 /nfs/dbraw/zinc/08/11/85/298081185.db2.gz WNJQNMKFBONZJG-HNNXBMFYSA-N 1 3 304.434 2.624 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000453304181 298081616 /nfs/dbraw/zinc/08/16/16/298081616.db2.gz FHRBBKQJMNVVGZ-IAQYHMDHSA-N 1 3 300.805 2.788 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000453304181 298081619 /nfs/dbraw/zinc/08/16/19/298081619.db2.gz FHRBBKQJMNVVGZ-IAQYHMDHSA-N 1 3 300.805 2.788 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000453304182 298081811 /nfs/dbraw/zinc/08/18/11/298081811.db2.gz FHRBBKQJMNVVGZ-NHYWBVRUSA-N 1 3 300.805 2.788 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000453304182 298081812 /nfs/dbraw/zinc/08/18/12/298081812.db2.gz FHRBBKQJMNVVGZ-NHYWBVRUSA-N 1 3 300.805 2.788 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(OCCN(C)C)cc1 ZINC000453401793 298090659 /nfs/dbraw/zinc/09/06/59/298090659.db2.gz FCYKCPWVOBUVSK-RVKKMQEKSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496419519 300060943 /nfs/dbraw/zinc/06/09/43/300060943.db2.gz QNCQAYULRLBABF-ZNMIVQPWSA-N 1 3 313.486 2.562 20 0 DFADHO C[C@@H](NC[C@H](C)C[NH+](C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496419519 300060945 /nfs/dbraw/zinc/06/09/45/300060945.db2.gz QNCQAYULRLBABF-ZNMIVQPWSA-N 1 3 313.486 2.562 20 0 DFADHO CCn1nccc1CCN[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000503220775 300219948 /nfs/dbraw/zinc/21/99/48/300219948.db2.gz IPSYPVFFQPMLEB-WMZOPIPTSA-N 1 3 306.498 2.936 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccnn1CC ZINC000503220775 300219951 /nfs/dbraw/zinc/21/99/51/300219951.db2.gz IPSYPVFFQPMLEB-WMZOPIPTSA-N 1 3 306.498 2.936 20 0 DFADHO C[NH+](C)CC[C@@H](NCCC(=O)Nc1ccccc1)C(C)(C)C ZINC000514669116 300265366 /nfs/dbraw/zinc/26/53/66/300265366.db2.gz TZZOKMOPNZABJK-MRXNPFEDSA-N 1 3 305.466 2.971 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000516492000 300345542 /nfs/dbraw/zinc/34/55/42/300345542.db2.gz QCIHVKWOIVLBDX-IKGGRYGDSA-N 1 3 305.441 2.962 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000516492000 300345545 /nfs/dbraw/zinc/34/55/45/300345545.db2.gz QCIHVKWOIVLBDX-IKGGRYGDSA-N 1 3 305.441 2.962 20 0 DFADHO C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)no1 ZINC000516861495 300364095 /nfs/dbraw/zinc/36/40/95/300364095.db2.gz QHWKOUNODQQUCN-IIAWOOMASA-N 1 3 314.433 2.818 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000517230090 300388696 /nfs/dbraw/zinc/38/86/96/300388696.db2.gz XVCHVLIWLGCKNP-PBHICJAKSA-N 1 3 303.450 2.819 20 0 DFADHO OC1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000517553753 300399194 /nfs/dbraw/zinc/39/91/94/300399194.db2.gz RLCSSWNNMVAFNW-QFBILLFUSA-N 1 3 316.445 2.527 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCOc2ccccc2C(F)(F)F)C1 ZINC000519833201 300481738 /nfs/dbraw/zinc/48/17/38/300481738.db2.gz BPPHHLUWBKDQPK-NWDGAFQWSA-N 1 3 302.340 2.944 20 0 DFADHO CC(=O)N1CC[C@@H](NCc2ccc(C[NH3+])cc2)c2ccccc2C1 ZINC000521876319 300539621 /nfs/dbraw/zinc/53/96/21/300539621.db2.gz XQXZCKGBXINRHQ-HXUWFJFHSA-N 1 3 323.440 2.728 20 0 DFADHO C[C@H](NCc1ccncc1OCCC[NH+](C)C)[C@@H]1C[C@H]1C1CC1 ZINC000527710158 300677098 /nfs/dbraw/zinc/67/70/98/300677098.db2.gz OKXRDCMBNAZIMF-WBAXXEDZSA-N 1 3 317.477 2.936 20 0 DFADHO C[C@]1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)COc2ccccc2O1 ZINC000530214260 301029325 /nfs/dbraw/zinc/02/93/25/301029325.db2.gz WLPDGJKZFVEREC-NNFUDEMPSA-N 1 3 316.445 2.727 20 0 DFADHO CCN(C[C@@H](Cc1ccc(F)cc1)OC)[C@H]1CCC[NH2+]CC1 ZINC000530219449 301031010 /nfs/dbraw/zinc/03/10/10/301031010.db2.gz PPILBSZHYLSLSV-ZWKOTPCHSA-N 1 3 308.441 2.847 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000530223299 301031790 /nfs/dbraw/zinc/03/17/90/301031790.db2.gz SYRWQBAKNJXXLR-GVDBMIGSSA-N 1 3 303.450 2.533 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000531686105 301104290 /nfs/dbraw/zinc/10/42/90/301104290.db2.gz DVLGTFNUDPGPPN-GOSISDBHSA-N 1 3 321.896 2.945 20 0 DFADHO C[C@@H]1CCN(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531728252 301106772 /nfs/dbraw/zinc/10/67/72/301106772.db2.gz KMOOMZDTRPFIOR-HBFSDRIKSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532505384 301156780 /nfs/dbraw/zinc/15/67/80/301156780.db2.gz DFFGKRUMMWLPIW-UONOGXRCSA-N 1 3 301.434 2.564 20 0 DFADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532505384 301156781 /nfs/dbraw/zinc/15/67/81/301156781.db2.gz DFFGKRUMMWLPIW-UONOGXRCSA-N 1 3 301.434 2.564 20 0 DFADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(N2CCOCC2)c1 ZINC000532506872 301157155 /nfs/dbraw/zinc/15/71/55/301157155.db2.gz XPILRHKBRGNMRD-IAGOWNOFSA-N 1 3 317.477 2.516 20 0 DFADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOCC2)c1 ZINC000532506872 301157157 /nfs/dbraw/zinc/15/71/57/301157157.db2.gz XPILRHKBRGNMRD-IAGOWNOFSA-N 1 3 317.477 2.516 20 0 DFADHO CCC(CC)N(CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000533267525 301193982 /nfs/dbraw/zinc/19/39/82/301193982.db2.gz VVAIBMLHXGEUGT-UHFFFAOYSA-N 1 3 309.498 2.628 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000533581888 301209244 /nfs/dbraw/zinc/20/92/44/301209244.db2.gz FLGKDYYXPLBLQO-KRWDZBQOSA-N 1 3 323.431 2.569 20 0 DFADHO COc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1O ZINC000536652456 301285471 /nfs/dbraw/zinc/28/54/71/301285471.db2.gz ODBARBSVTXKVJD-UHFFFAOYSA-N 1 3 306.450 2.953 20 0 DFADHO COc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1O ZINC000536652456 301285472 /nfs/dbraw/zinc/28/54/72/301285472.db2.gz ODBARBSVTXKVJD-UHFFFAOYSA-N 1 3 306.450 2.953 20 0 DFADHO c1cc(C2([NH2+]C3CCN(CC4CC4)CC3)CC2)cc2c1OCO2 ZINC000537450411 301299994 /nfs/dbraw/zinc/29/99/94/301299994.db2.gz WCGUTWGYYDMZSD-UHFFFAOYSA-N 1 3 314.429 2.868 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000541571818 301389931 /nfs/dbraw/zinc/38/99/31/301389931.db2.gz UKIBQHSGEBQXCU-BXUZGUMPSA-N 1 3 300.368 2.966 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000541571818 301389934 /nfs/dbraw/zinc/38/99/34/301389934.db2.gz UKIBQHSGEBQXCU-BXUZGUMPSA-N 1 3 300.368 2.966 20 0 DFADHO CN(C)Cc1cccc(NC(=O)CCN(C)c2cc[nH+]cc2)c1 ZINC000541857929 301399412 /nfs/dbraw/zinc/39/94/12/301399412.db2.gz LTGYBQQHOOFLCS-UHFFFAOYSA-N 1 3 312.417 2.608 20 0 DFADHO C[NH+](C)CCCCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000560696582 301911109 /nfs/dbraw/zinc/91/11/09/301911109.db2.gz LMYQUZIKUMHRAL-SFHVURJKSA-N 1 3 317.477 2.672 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000562958975 302017970 /nfs/dbraw/zinc/01/79/70/302017970.db2.gz ZSFIWHHIEYJBBY-YDZRNGNQSA-N 1 3 323.525 2.530 20 0 DFADHO COC1CCN(C2(C[NH2+][C@@H]3CCCC[C@@H]3CN)CCCC2)CC1 ZINC000562959221 302018020 /nfs/dbraw/zinc/01/80/20/302018020.db2.gz IQQBPPBWRAOEBV-SJLPKXTDSA-N 1 3 323.525 2.517 20 0 DFADHO C[C@@H](O)CN(Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563271557 302056486 /nfs/dbraw/zinc/05/64/86/302056486.db2.gz WUZINRGTJRFOOU-MRXNPFEDSA-N 1 3 310.441 2.715 20 0 DFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528792 302080131 /nfs/dbraw/zinc/08/01/31/302080131.db2.gz GOZHUDNBCLYIEU-UWJYYQICSA-N 1 3 324.468 2.817 20 0 DFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528792 302080133 /nfs/dbraw/zinc/08/01/33/302080133.db2.gz GOZHUDNBCLYIEU-UWJYYQICSA-N 1 3 324.468 2.817 20 0 DFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528792 302080134 /nfs/dbraw/zinc/08/01/34/302080134.db2.gz GOZHUDNBCLYIEU-UWJYYQICSA-N 1 3 324.468 2.817 20 0 DFADHO C[C@H](CN[C@H]1CCC[NH2+]CC1)c1nc(-c2ccccc2)no1 ZINC000563804426 302099240 /nfs/dbraw/zinc/09/92/40/302099240.db2.gz FWSJJKLFJQJIFZ-HIFRSBDPSA-N 1 3 300.406 2.572 20 0 DFADHO Cc1ccc(OC[C@H](O)C[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC000564077815 302117469 /nfs/dbraw/zinc/11/74/69/302117469.db2.gz WEWSYXODXGAVCB-ZWKOTPCHSA-N 1 3 320.477 2.589 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2ccccc2)C1 ZINC000564851698 302164683 /nfs/dbraw/zinc/16/46/83/302164683.db2.gz FJFSMKPQTRVTIF-KRWDZBQOSA-N 1 3 317.477 2.973 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H](CNCCC(=O)Nc2ccccc2)C1 ZINC000564851698 302164686 /nfs/dbraw/zinc/16/46/86/302164686.db2.gz FJFSMKPQTRVTIF-KRWDZBQOSA-N 1 3 317.477 2.973 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000564989680 302179861 /nfs/dbraw/zinc/17/98/61/302179861.db2.gz WXADCXZFBUJJFX-ZWKOTPCHSA-N 1 3 311.429 2.622 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000564989680 302179864 /nfs/dbraw/zinc/17/98/64/302179864.db2.gz WXADCXZFBUJJFX-ZWKOTPCHSA-N 1 3 311.429 2.622 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@](C)(CCc2ccccc2)C1 ZINC000565155531 302198631 /nfs/dbraw/zinc/19/86/31/302198631.db2.gz GHJWTQMSFBNBAY-MOPGFXCFSA-N 1 3 304.478 2.644 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@](C)(CCc2ccccc2)C1 ZINC000565155531 302198632 /nfs/dbraw/zinc/19/86/32/302198632.db2.gz GHJWTQMSFBNBAY-MOPGFXCFSA-N 1 3 304.478 2.644 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000565225616 302210177 /nfs/dbraw/zinc/21/01/77/302210177.db2.gz GHZFJYGLACTDMF-KBPBESRZSA-N 1 3 320.824 2.792 20 0 DFADHO Cc1c[nH+]ccc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000369101657 302386784 /nfs/dbraw/zinc/38/67/84/302386784.db2.gz RJBHRLYCTZGUJD-MAUKXSAKSA-N 1 3 313.449 2.643 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H](O)CC2CCCC2)cc1 ZINC000567891348 302396730 /nfs/dbraw/zinc/39/67/30/302396730.db2.gz BFTFETUVWARIID-SFHVURJKSA-N 1 3 320.477 2.658 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCc2cccc(COC3CCOCC3)c2)C1 ZINC000567915078 302398454 /nfs/dbraw/zinc/39/84/54/302398454.db2.gz GFZZWIQCDQGYKB-ZWKOTPCHSA-N 1 3 318.461 2.742 20 0 DFADHO C[C@@H](C(=O)Nc1cccc2c1CC[NH2+]C2)N1CCCCCC1 ZINC000568508830 302455637 /nfs/dbraw/zinc/45/56/37/302455637.db2.gz SXQWUZGYGHNYCC-AWEZNQCLSA-N 1 3 301.434 2.535 20 0 DFADHO CC[C@@H](N)C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000569217276 302505843 /nfs/dbraw/zinc/50/58/43/302505843.db2.gz BOGJPXNQIMTYES-HYVNUMGLSA-N 1 3 305.466 2.605 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCc2nc(-c3ccccn3)cs2)C1 ZINC000569355414 302514297 /nfs/dbraw/zinc/51/42/97/302514297.db2.gz LBBIYLFXZBXBDP-CHWSQXEVSA-N 1 3 302.447 2.607 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000570738802 302590315 /nfs/dbraw/zinc/59/03/15/302590315.db2.gz FBVHDIXNMIVYKY-CVEARBPZSA-N 1 3 317.477 2.622 20 0 DFADHO CCn1nc(C)c(C[NH2+]C2CCN(c3ccncc3)CC2)c1C ZINC000573899357 302729311 /nfs/dbraw/zinc/72/93/11/302729311.db2.gz RSUGJGPASDXNMW-UHFFFAOYSA-N 1 3 313.449 2.673 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCOC(C)(C)C)[C@H](C)C1 ZINC000180339998 316031585 /nfs/dbraw/zinc/03/15/85/316031585.db2.gz UQNNPUMKFLZIGY-CVEARBPZSA-N 1 3 300.487 2.528 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCOC(C)(C)C)[C@H](C)C1 ZINC000180339998 316031588 /nfs/dbraw/zinc/03/15/88/316031588.db2.gz UQNNPUMKFLZIGY-CVEARBPZSA-N 1 3 300.487 2.528 20 0 DFADHO CC[C@@H]1CCC[C@@H](C[NH+]2CCC(C(=O)NCCN(C)C)CC2)C1 ZINC000183021888 316126780 /nfs/dbraw/zinc/12/67/80/316126780.db2.gz XLDBMEDLNSYSQZ-IAGOWNOFSA-N 1 3 323.525 2.593 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000321941634 316257512 /nfs/dbraw/zinc/25/75/12/316257512.db2.gz BJAMSVMEHQHPEW-ZWKOTPCHSA-N 1 3 317.477 2.718 20 0 DFADHO COc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1C ZINC000353536445 316536221 /nfs/dbraw/zinc/53/62/21/316536221.db2.gz XOSSUTDWTMPVLS-UHFFFAOYSA-N 1 3 306.450 2.546 20 0 DFADHO C[C@H]1CN(CCC2CC[NH+](CCC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000411313160 316587911 /nfs/dbraw/zinc/58/79/11/316587911.db2.gz XCJBUFZWZQFAMN-IRXDYDNUSA-N 1 3 324.509 2.503 20 0 DFADHO CO[C@](C)([C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1)C1CC1 ZINC000414498668 316611402 /nfs/dbraw/zinc/61/14/02/316611402.db2.gz INBARJHBXKTIHM-RDTXWAMCSA-N 1 3 303.450 2.844 20 0 DFADHO COc1ccccc1/C=C\CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414789784 316657805 /nfs/dbraw/zinc/65/78/05/316657805.db2.gz OOORBTLEBVLSFK-VSNBLRCJSA-N 1 3 316.445 2.537 20 0 DFADHO COc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1OC(F)F ZINC000414792356 316659100 /nfs/dbraw/zinc/65/91/00/316659100.db2.gz CDLFNHXXYJXLEO-STQMWFEESA-N 1 3 314.376 2.904 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(OCc2ccccn2)cc1 ZINC000414792566 316659250 /nfs/dbraw/zinc/65/92/50/316659250.db2.gz CJHRXBVRLDMIEV-APWZRJJASA-N 1 3 311.429 2.878 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@H]2CN)cc1O ZINC000414806439 316663635 /nfs/dbraw/zinc/66/36/35/316663635.db2.gz QHQGDRKHSCXGNS-CWRNSKLLSA-N 1 3 306.450 2.829 20 0 DFADHO COc1ccc([C@@H]([NH2+]CC2(O)CCN(C)CC2)C(C)C)c(F)c1 ZINC000421831012 316771423 /nfs/dbraw/zinc/77/14/23/316771423.db2.gz KTZDGFYYONHEIM-KRWDZBQOSA-N 1 3 324.440 2.578 20 0 DFADHO CCC[C@H](C[NH2+]Cc1ccccc1N1CCN(CC)CC1)OC ZINC000449375829 317032843 /nfs/dbraw/zinc/03/28/43/317032843.db2.gz JMQLVPZBJWZDOM-GOSISDBHSA-N 1 3 319.493 2.733 20 0 DFADHO CCc1cc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000450300445 317080888 /nfs/dbraw/zinc/08/08/88/317080888.db2.gz CXPHWTSNWAHJEU-HOTGVXAUSA-N 1 3 317.477 2.970 20 0 DFADHO CCCc1ccc2nccc(N3CCO[C@H](C[NH+](C)C)C3)c2c1 ZINC000450322679 317082989 /nfs/dbraw/zinc/08/29/89/317082989.db2.gz ZWUFZPJNYCXMLP-MRXNPFEDSA-N 1 3 313.445 2.954 20 0 DFADHO C[C@H](CCN[C@@H](C)Cc1cnccn1)[N@H+](C)Cc1ccccc1 ZINC000453146606 317164796 /nfs/dbraw/zinc/16/47/96/317164796.db2.gz XIIUPJZVMXUQFX-DLBZAZTESA-N 1 3 312.461 2.908 20 0 DFADHO C[C@H](CCN[C@@H](C)Cc1cnccn1)[N@@H+](C)Cc1ccccc1 ZINC000453146606 317164802 /nfs/dbraw/zinc/16/48/02/317164802.db2.gz XIIUPJZVMXUQFX-DLBZAZTESA-N 1 3 312.461 2.908 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453200011 317168048 /nfs/dbraw/zinc/16/80/48/317168048.db2.gz UDHFERSWYVFDIH-VQTJNVASSA-N 1 3 314.473 2.922 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(C)c2)[C@@H](C)C1 ZINC000453276950 317174841 /nfs/dbraw/zinc/17/48/41/317174841.db2.gz BGQSSUQRNJRHFZ-MAUKXSAKSA-N 1 3 305.466 2.617 20 0 DFADHO CN1CCCC(C)(C)[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459512913 317328486 /nfs/dbraw/zinc/32/84/86/317328486.db2.gz ZJXVAMCRBNRIFT-GOSISDBHSA-N 1 3 316.493 2.760 20 0 DFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H]3C[C@H]3C)cc2)CC1 ZINC000488412031 317390788 /nfs/dbraw/zinc/39/07/88/317390788.db2.gz KXXGCFKPCFYZJT-APWZRJJASA-N 1 3 301.478 2.570 20 0 DFADHO c1cc2c(cccc2N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)[nH]1 ZINC000530230645 317777680 /nfs/dbraw/zinc/77/76/80/317777680.db2.gz BWGMQCPWBIOXQW-MRXNPFEDSA-N 1 3 312.461 2.680 20 0 DFADHO CCN1CCN(c2cccc(N[C@@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000566481247 317951760 /nfs/dbraw/zinc/95/17/60/317951760.db2.gz GJLOJPJSHUTHRF-JKSUJKDBSA-N 1 3 302.466 2.510 20 0 DFADHO CC(C)c1ccccc1OC[C@H](O)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000575117009 318064376 /nfs/dbraw/zinc/06/43/76/318064376.db2.gz WGOOBDFSCORDBZ-GVDBMIGSSA-N 1 3 320.477 2.622 20 0 DFADHO CC(C)c1ccccc1OC[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000575117009 318064378 /nfs/dbraw/zinc/06/43/78/318064378.db2.gz WGOOBDFSCORDBZ-GVDBMIGSSA-N 1 3 320.477 2.622 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000576338012 318119328 /nfs/dbraw/zinc/11/93/28/318119328.db2.gz APPANHCVPIJCPL-GXTWGEPZSA-N 1 3 320.824 2.650 20 0 DFADHO CN1CCN(CCCC[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000576684088 318142395 /nfs/dbraw/zinc/14/23/95/318142395.db2.gz ZGHYGIWAYNYQBT-UHFFFAOYSA-N 1 3 301.887 2.519 20 0 DFADHO CCOc1cc(CCC[NH2+][C@H]2CCC[C@@H](N)C2)ccc1OC ZINC000576718014 318146150 /nfs/dbraw/zinc/14/61/50/318146150.db2.gz NVMHTECSZNLVGL-CVEARBPZSA-N 1 3 306.450 2.886 20 0 DFADHO CC1(C)CCC[NH2+][C@H]1CNC1CCC(O)(C(F)(F)F)CC1 ZINC000576814952 318151727 /nfs/dbraw/zinc/15/17/27/318151727.db2.gz LLBSOAFVYIYFGL-LXVYMNJGSA-N 1 3 308.388 2.590 20 0 DFADHO CCc1ccc([C@H](CN[C@@H](C)[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000577363134 318187925 /nfs/dbraw/zinc/18/79/25/318187925.db2.gz YJHOKZXJVGGLBJ-SNRMKQJTSA-N 1 3 303.494 2.829 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@@H]2COc3cc(F)ccc3C2)[C@H]2CCC[C@H]21 ZINC000577530546 318200144 /nfs/dbraw/zinc/20/01/44/318200144.db2.gz KCGHGYAVLQRCMF-VVLHAWIVSA-N 1 3 304.409 2.592 20 0 DFADHO C[N@H+]1CC[C@H](N[C@@H]2COc3cc(F)ccc3C2)[C@H]2CCC[C@H]21 ZINC000577530546 318200145 /nfs/dbraw/zinc/20/01/45/318200145.db2.gz KCGHGYAVLQRCMF-VVLHAWIVSA-N 1 3 304.409 2.592 20 0 DFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000577710648 318211568 /nfs/dbraw/zinc/21/15/68/318211568.db2.gz CASVZCXQBUNBBY-ZIAGYGMSSA-N 1 3 316.449 2.532 20 0 DFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000577710648 318211569 /nfs/dbraw/zinc/21/15/69/318211569.db2.gz CASVZCXQBUNBBY-ZIAGYGMSSA-N 1 3 316.449 2.532 20 0 DFADHO c1ccc(-c2ncc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)cc1 ZINC000578626195 318273950 /nfs/dbraw/zinc/27/39/50/318273950.db2.gz DKRVZSOZDNKNED-HDICACEKSA-N 1 3 308.429 2.575 20 0 DFADHO CCCOc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000578891705 318293573 /nfs/dbraw/zinc/29/35/73/318293573.db2.gz FGSRTONKKFUUJI-MOPGFXCFSA-N 1 3 318.461 2.804 20 0 DFADHO C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@H]1CCCCN1 ZINC000386534705 323318968 /nfs/dbraw/zinc/31/89/68/323318968.db2.gz BLCOHHLRFVAFPG-QFBILLFUSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000386573007 323319517 /nfs/dbraw/zinc/31/95/17/323319517.db2.gz MHHPGCXAJBCADQ-QXAKKESOSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@H](NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000386629945 323319901 /nfs/dbraw/zinc/31/99/01/323319901.db2.gz ZXKTZIGTATWQIH-QXAKKESOSA-N 1 3 301.478 2.944 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000390913340 323343260 /nfs/dbraw/zinc/34/32/60/323343260.db2.gz ZSWMDLXHXAROBY-CRAIPNDOSA-N 1 3 317.477 2.500 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](CC)COC)CC1 ZINC000581441020 323524415 /nfs/dbraw/zinc/52/44/15/323524415.db2.gz ZGFLEICCAMVONV-GOSISDBHSA-N 1 3 319.493 2.733 20 0 DFADHO CN(C)Cc1ccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000583378929 323844314 /nfs/dbraw/zinc/84/43/14/323844314.db2.gz VRGWGVJWGKONEA-UHFFFAOYSA-N 1 3 323.440 2.689 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCc2nc3ccccc3n2C(F)F)C1 ZINC000584301865 332231355 /nfs/dbraw/zinc/23/13/55/332231355.db2.gz ITXKKPVKBSWZCQ-VXGBXAGGSA-N 1 3 308.376 2.833 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2nc3ccccc3n2C(F)F)C1 ZINC000584301865 332231356 /nfs/dbraw/zinc/23/13/56/332231356.db2.gz ITXKKPVKBSWZCQ-VXGBXAGGSA-N 1 3 308.376 2.833 20 0 DFADHO C[C@H](Cc1ccoc1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000449169854 500922819 /nfs/dbraw/zinc/92/28/19/500922819.db2.gz PRHBNGAGUORYJN-QGZVFWFLSA-N 1 3 319.493 2.751 20 0 DFADHO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000294947300 533722202 /nfs/dbraw/zinc/72/22/02/533722202.db2.gz DBXOUWZKQYOVHM-OAHLLOKOSA-N 1 3 319.493 2.892 20 0 DFADHO C[C@@H](CNC[C@@H](O)C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000295342959 534058540 /nfs/dbraw/zinc/05/85/40/534058540.db2.gz BJJDMDQPAFYXSD-SUMWQHHRSA-N 1 3 312.404 2.505 20 0 DFADHO CC(C)N(C)CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000157670974 519606869 /nfs/dbraw/zinc/60/68/69/519606869.db2.gz LIOVXKQGYUQPKF-QGZVFWFLSA-N 1 3 323.525 2.830 20 0 DFADHO CC(C)N(C)CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000157670974 519606874 /nfs/dbraw/zinc/60/68/74/519606874.db2.gz LIOVXKQGYUQPKF-QGZVFWFLSA-N 1 3 323.525 2.830 20 0 DFADHO CC(C)N(C)CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000157671109 519606954 /nfs/dbraw/zinc/60/69/54/519606954.db2.gz LIOVXKQGYUQPKF-KRWDZBQOSA-N 1 3 323.525 2.830 20 0 DFADHO CC(C)N(C)CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000157671109 519606960 /nfs/dbraw/zinc/60/69/60/519606960.db2.gz LIOVXKQGYUQPKF-KRWDZBQOSA-N 1 3 323.525 2.830 20 0 DFADHO CC(C)(C)C1CCC(CN2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000262443404 534554640 /nfs/dbraw/zinc/55/46/40/534554640.db2.gz GZOSFBLRPSHFRG-ABHNRTSZSA-N 1 3 307.526 2.818 20 0 DFADHO CCOc1ccccc1[C@@H](C)[NH2+]CCCN1CCN(CC)CC1 ZINC000154314426 521570817 /nfs/dbraw/zinc/57/08/17/521570817.db2.gz FYUZUZGGMPUANW-QGZVFWFLSA-N 1 3 319.493 2.764 20 0 DFADHO [NH3+]CC1(CC(=O)Nc2ccc3c(c2)CNCC3)CCCCC1 ZINC000294992887 534591404 /nfs/dbraw/zinc/59/14/04/534591404.db2.gz HRWQQOSMLUGKKJ-UHFFFAOYSA-N 1 3 301.434 2.570 20 0 DFADHO Cc1[nH+]c2ccccc2c(NC[C@H](C)N2CCN(C)CC2)c1C ZINC000302101705 534671519 /nfs/dbraw/zinc/67/15/19/534671519.db2.gz VILNZHRBEWPWOY-AWEZNQCLSA-N 1 3 312.461 2.899 20 0 DFADHO CCc1ccc([C@@H](C)[NH2+]CCCCN2CCN(CC)CC2)o1 ZINC000154549764 524023634 /nfs/dbraw/zinc/02/36/34/524023634.db2.gz YVKLBDRRPSZWTH-MRXNPFEDSA-N 1 3 307.482 2.910 20 0 DFADHO COc1cccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)c1 ZINC000249067443 524098616 /nfs/dbraw/zinc/09/86/16/524098616.db2.gz VTSXCIAFNAXJHJ-RGPMPMONSA-N 1 3 317.477 2.513 20 0 DFADHO COc1cccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)c1 ZINC000249067443 524098626 /nfs/dbraw/zinc/09/86/26/524098626.db2.gz VTSXCIAFNAXJHJ-RGPMPMONSA-N 1 3 317.477 2.513 20 0 DFADHO COc1cccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)N(C)C)c1 ZINC000249067443 524098631 /nfs/dbraw/zinc/09/86/31/524098631.db2.gz VTSXCIAFNAXJHJ-RGPMPMONSA-N 1 3 317.477 2.513 20 0 DFADHO Cc1cccn2c(CNCCCCC[NH+]3CCCC3)cnc12 ZINC000339499874 525467904 /nfs/dbraw/zinc/46/79/04/525467904.db2.gz JRJXDRWVGCUYAG-UHFFFAOYSA-N 1 3 300.450 2.998 20 0 DFADHO Cc1csc(N2CCC([NH2+]CCCN(C)C(C)C)CC2)n1 ZINC000361344188 526376120 /nfs/dbraw/zinc/37/61/20/526376120.db2.gz PWCFOGBGBDQNQN-UHFFFAOYSA-N 1 3 310.511 2.740 20 0 DFADHO CC(=O)Nc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000294732079 527078237 /nfs/dbraw/zinc/07/82/37/527078237.db2.gz DIRZNNLHGUSRCV-UBBHGXQRSA-N 1 3 301.434 2.921 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@H](C)C1 ZINC000294986233 527802551 /nfs/dbraw/zinc/80/25/51/527802551.db2.gz HAUTXYJZAQAFQL-DGCLKSJQSA-N 1 3 301.356 2.920 20 0 DFADHO CCN(CCC[NH+](CC)CC)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000322978598 528102180 /nfs/dbraw/zinc/10/21/80/528102180.db2.gz YRCJOQDZRVUOBN-FUHWJXTLSA-N 1 3 319.493 2.903 20 0 DFADHO CCN(CCC[NH+](CC)CC)C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000322978597 528102936 /nfs/dbraw/zinc/10/29/36/528102936.db2.gz YRCJOQDZRVUOBN-AEFFLSMTSA-N 1 3 319.493 2.903 20 0 DFADHO CCC[NH+]1CCC(N(C)C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000292875974 528195651 /nfs/dbraw/zinc/19/56/51/528195651.db2.gz SXYUEWGPARQCKD-SFHVURJKSA-N 1 3 308.441 2.535 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C[C@H](O)c2cccnc2)CC1 ZINC000295573801 528338332 /nfs/dbraw/zinc/33/83/32/528338332.db2.gz RJRHLIUQYXNSNE-SFHVURJKSA-N 1 3 305.466 2.559 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)c2cccnc2)CC1 ZINC000295573801 528338337 /nfs/dbraw/zinc/33/83/37/528338337.db2.gz RJRHLIUQYXNSNE-SFHVURJKSA-N 1 3 305.466 2.559 20 0 DFADHO CC1(C)CC[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000294920984 529048425 /nfs/dbraw/zinc/04/84/25/529048425.db2.gz BLQVRXMZPXZMRJ-ZWKOTPCHSA-N 1 3 302.462 2.922 20 0 DFADHO CC(C)N(C)c1ccc(CN2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000261990637 535026156 /nfs/dbraw/zinc/02/61/56/535026156.db2.gz KGQGDDFICYBJTE-UHFFFAOYSA-N 1 3 302.466 2.502 20 0 DFADHO CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000236807333 535044514 /nfs/dbraw/zinc/04/45/14/535044514.db2.gz IENWXJDYZRSTPP-ROUUACIJSA-N 1 3 317.477 2.675 20 0 DFADHO CC[NH+](CC)CC1CCN(Cc2cccc(C(=O)NC)c2)CC1 ZINC000356579776 535496902 /nfs/dbraw/zinc/49/69/02/535496902.db2.gz QBMNIGRRJGHTIV-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO CCOC(=O)C1CCC([NH2+]CC(C)(C)CN2CCCC2)CC1 ZINC000361646538 535594560 /nfs/dbraw/zinc/59/45/60/535594560.db2.gz HMHALQFUTLZCSA-UHFFFAOYSA-N 1 3 310.482 2.820 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000261927227 535610574 /nfs/dbraw/zinc/61/05/74/535610574.db2.gz SJHGKIYMYCSAQZ-YJBOKZPZSA-N 1 3 317.477 2.533 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000261927223 535611078 /nfs/dbraw/zinc/61/10/78/535611078.db2.gz SJHGKIYMYCSAQZ-MAUKXSAKSA-N 1 3 317.477 2.533 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000247215157 535770298 /nfs/dbraw/zinc/77/02/98/535770298.db2.gz VQMRQKXIVSOGQE-LPHOPBHVSA-N 1 3 312.461 2.751 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000261842235 536840379 /nfs/dbraw/zinc/84/03/79/536840379.db2.gz YUSUUZGJBOSKCQ-GVDBMIGSSA-N 1 3 318.461 2.757 20 0 DFADHO COc1ccc(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000261959520 536842449 /nfs/dbraw/zinc/84/24/49/536842449.db2.gz XKRDLBKRHSHSIS-SJORKVTESA-N 1 3 312.413 2.981 20 0 DFADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1Br ZINC000261543288 536901986 /nfs/dbraw/zinc/90/19/86/536901986.db2.gz CTDYBSQEMCFOII-GUBZILKMSA-N 1 3 301.228 2.844 20 0 DFADHO CCN(CC)CCC[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000683141658 545978355 /nfs/dbraw/zinc/97/83/55/545978355.db2.gz PXVKRIBWXKHRJT-HDICACEKSA-N 1 3 301.478 2.787 20 0 DFADHO CCN(CC)CCC[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000683141658 545978360 /nfs/dbraw/zinc/97/83/60/545978360.db2.gz PXVKRIBWXKHRJT-HDICACEKSA-N 1 3 301.478 2.787 20 0 DFADHO CN(C)CCOc1ccc(CN2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000683357835 546018639 /nfs/dbraw/zinc/01/86/39/546018639.db2.gz ABTCMXSMSDOIHP-SFHVURJKSA-N 1 3 319.493 2.543 20 0 DFADHO CN(Cc1ccc(O)cc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685462418 546355120 /nfs/dbraw/zinc/35/51/20/546355120.db2.gz FYHRWJKDFGEYGB-UHFFFAOYSA-N 1 3 314.429 2.965 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)cc1 ZINC000685850935 546399970 /nfs/dbraw/zinc/39/99/70/546399970.db2.gz OSXICIKCDRWLJY-SFHVURJKSA-N 1 3 320.477 2.514 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000278249351 214047811 /nfs/dbraw/zinc/04/78/11/214047811.db2.gz MLCNQKCELKWPHD-KSZLIROESA-N 1 3 318.461 2.530 20 0 DFADHO CN(C)CCOc1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000278259914 214053730 /nfs/dbraw/zinc/05/37/30/214053730.db2.gz NRWSITSIVMQYIA-BZSNNMDCSA-N 1 3 318.461 2.530 20 0 DFADHO CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000365782537 282118864 /nfs/dbraw/zinc/11/88/64/282118864.db2.gz DJGCLECLOXWVNY-WMZOPIPTSA-N 1 3 321.509 2.584 20 0 DFADHO CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000365782537 282118865 /nfs/dbraw/zinc/11/88/65/282118865.db2.gz DJGCLECLOXWVNY-WMZOPIPTSA-N 1 3 321.509 2.584 20 0 DFADHO CN(C)CCOc1ccc(CC[NH2+]C[C@H]2CCSC2)cc1 ZINC000278531789 214216786 /nfs/dbraw/zinc/21/67/86/214216786.db2.gz RTRSNZDYGQWEJA-MRXNPFEDSA-N 1 3 308.491 2.512 20 0 DFADHO COC(=O)c1coc([C@@H](C)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000278536940 214220532 /nfs/dbraw/zinc/22/05/32/214220532.db2.gz URBKIFHACYXLOF-GFCCVEGCSA-N 1 3 306.406 2.591 20 0 DFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCC2(C)C)cc1 ZINC000090038864 185279155 /nfs/dbraw/zinc/27/91/55/185279155.db2.gz LKXFOZMOXRBIHH-KRWDZBQOSA-N 1 3 317.477 2.646 20 0 DFADHO COCCOc1ccccc1CN1CCC(CC[NH+](C)C)CC1 ZINC000092381267 185314841 /nfs/dbraw/zinc/31/48/41/185314841.db2.gz KGLHIGVXIIKOFG-UHFFFAOYSA-N 1 3 320.477 2.876 20 0 DFADHO CC[C@H](O)CN1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302101124 529702391 /nfs/dbraw/zinc/70/23/91/529702391.db2.gz VBLNNRCWPGJDHN-INIZCTEOSA-N 1 3 313.445 2.745 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@H](C)C[NH+]2CCCCC2)[C@H]1SC ZINC000459387725 299093425 /nfs/dbraw/zinc/09/34/25/299093425.db2.gz JWVUMFRUWRDQNS-CAOSSQGBSA-N 1 3 300.512 2.607 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN2CCCCC2)[C@H]1SC ZINC000459387725 299093427 /nfs/dbraw/zinc/09/34/27/299093427.db2.gz JWVUMFRUWRDQNS-CAOSSQGBSA-N 1 3 300.512 2.607 20 0 DFADHO Cc1ncccc1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000092587501 185327667 /nfs/dbraw/zinc/32/76/67/185327667.db2.gz IMFVKMCAJCJATN-HOTGVXAUSA-N 1 3 317.477 2.711 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000262364159 282248617 /nfs/dbraw/zinc/24/86/17/282248617.db2.gz WRUDCBOIKNMEMT-WJFTUGDTSA-N 1 3 301.478 2.800 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc3c[nH]nc32)C[C@@H](C)O1 ZINC000084018227 398392294 /nfs/dbraw/zinc/39/22/94/398392294.db2.gz DOKDOSSPWWDSFO-HUUCEWRRSA-N 1 3 316.449 2.542 20 0 DFADHO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)s1 ZINC000092738769 185337745 /nfs/dbraw/zinc/33/77/45/185337745.db2.gz NCSHMCFOMKZTHY-JSGCOSHPSA-N 1 3 323.506 2.775 20 0 DFADHO C[C@@H](NCC[C@H]1CC[NH2+]C1)c1ccc(-n2cncn2)cc1Cl ZINC000584834073 398418078 /nfs/dbraw/zinc/41/80/78/398418078.db2.gz SKDBWRYOEALMCJ-CHWSQXEVSA-N 1 3 319.840 2.571 20 0 DFADHO COC(=O)c1cccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433660 398425557 /nfs/dbraw/zinc/42/55/57/398425557.db2.gz OBQCAKCFLCEMDL-ZWKOTPCHSA-N 1 3 316.445 2.685 20 0 DFADHO COC(=O)c1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000592492159 398433680 /nfs/dbraw/zinc/43/36/80/398433680.db2.gz SOOLSKXXNNXAAK-KGLIPLIRSA-N 1 3 322.474 2.746 20 0 DFADHO COC(=O)c1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000592492158 398433752 /nfs/dbraw/zinc/43/37/52/398433752.db2.gz SOOLSKXXNNXAAK-KBPBESRZSA-N 1 3 322.474 2.746 20 0 DFADHO CC1(C)[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]2CCCO[C@@H]21 ZINC000459435279 299106545 /nfs/dbraw/zinc/10/65/45/299106545.db2.gz XJTJGMFJPKJQMI-KURKYZTESA-N 1 3 315.461 2.844 20 0 DFADHO CC1(c2ccccc2)CC(NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000459460566 299112370 /nfs/dbraw/zinc/11/23/70/299112370.db2.gz FTGPEPDIRNEZOR-XBMUEBEBSA-N 1 3 302.462 2.543 20 0 DFADHO C(Cc1nc2c(s1)CCCC2)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089667015 398463011 /nfs/dbraw/zinc/46/30/11/398463011.db2.gz BZUQSCBQZIAZOJ-UONOGXRCSA-N 1 3 305.491 2.781 20 0 DFADHO C(Cc1nc2c(s1)CCCC2)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089667015 398463012 /nfs/dbraw/zinc/46/30/12/398463012.db2.gz BZUQSCBQZIAZOJ-UONOGXRCSA-N 1 3 305.491 2.781 20 0 DFADHO C[C@@H](CCNC1CC[NH+](C2CCCCC2)CC1)[S@](C)=O ZINC000090516809 398488441 /nfs/dbraw/zinc/48/84/41/398488441.db2.gz JDZPIRQODXPLQT-VBKZILBWSA-N 1 3 300.512 2.530 20 0 DFADHO CCOC(=O)CC(C)(C)CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000588202282 398489054 /nfs/dbraw/zinc/48/90/54/398489054.db2.gz ZTPGPPCLQHJNSH-UHFFFAOYSA-N 1 3 319.449 2.573 20 0 DFADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000302907808 398496339 /nfs/dbraw/zinc/49/63/39/398496339.db2.gz YAPGZLFIAGRORG-PMACEKPBSA-N 1 3 315.505 2.971 20 0 DFADHO CC(C)[N@H+]1CC[C@@H](CN[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000302907808 398496341 /nfs/dbraw/zinc/49/63/41/398496341.db2.gz YAPGZLFIAGRORG-PMACEKPBSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000272691508 210097926 /nfs/dbraw/zinc/09/79/26/210097926.db2.gz POABDWRNGIPBCB-BTHPGYMESA-N 1 3 316.489 2.895 20 0 DFADHO Cn1ccnc1[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000459547723 299130497 /nfs/dbraw/zinc/13/04/97/299130497.db2.gz WNXHXCUDWNMOKX-KRWDZBQOSA-N 1 3 311.433 2.525 20 0 DFADHO C[C@]1(CNC2CC[NH+](C3CC3)CC2)OCCc2sccc21 ZINC000459567682 299135740 /nfs/dbraw/zinc/13/57/40/299135740.db2.gz VJODMBHTLYEABO-QGZVFWFLSA-N 1 3 306.475 2.752 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](c2cccnc2)C(C)C)CC1 ZINC000091285200 398525248 /nfs/dbraw/zinc/52/52/48/398525248.db2.gz AGHGGFDXQRVXNR-IBGZPJMESA-N 1 3 318.509 2.786 20 0 DFADHO COc1cc2c(cc1CN1CCC(CC[NH3+])CC1)O[C@H](C)C2 ZINC000316967922 398533245 /nfs/dbraw/zinc/53/32/45/398533245.db2.gz HLFZWFOZOHNMEV-CYBMUJFWSA-N 1 3 304.434 2.579 20 0 DFADHO CCN(CC)CCC[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000286973260 219251686 /nfs/dbraw/zinc/25/16/86/219251686.db2.gz NWNJIJBCUASVFX-HNNXBMFYSA-N 1 3 301.438 2.650 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+][C@@H](CCO)C(C)(C)C)cc1 ZINC000589510499 398558806 /nfs/dbraw/zinc/55/88/06/398558806.db2.gz VDOVOEBQXGHONW-KRWDZBQOSA-N 1 3 308.466 2.514 20 0 DFADHO C[C@@H](C(=O)N[C@@H](CN(C)C)c1ccccc1)[NH+]1CCCCCC1 ZINC000114227381 295783655 /nfs/dbraw/zinc/78/36/55/295783655.db2.gz LEOBCSVKPRILAK-WMZOPIPTSA-N 1 3 317.477 2.670 20 0 DFADHO CN1CCC[N@H+](CCCNCc2cc(F)cc(Cl)c2)CC1 ZINC000681594862 545675780 /nfs/dbraw/zinc/67/57/80/545675780.db2.gz ZRMNDMHILBBTDT-UHFFFAOYSA-N 1 3 313.848 2.596 20 0 DFADHO CN1CCC[N@@H+](CCCNCc2cc(F)cc(Cl)c2)CC1 ZINC000681594862 545675789 /nfs/dbraw/zinc/67/57/89/545675789.db2.gz ZRMNDMHILBBTDT-UHFFFAOYSA-N 1 3 313.848 2.596 20 0 DFADHO COC(=O)c1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000597151984 398577050 /nfs/dbraw/zinc/57/70/50/398577050.db2.gz UGWLEKVQBSZQAQ-ZDUSSCGKSA-N 1 3 324.852 2.948 20 0 DFADHO COC(=O)c1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000597151984 398577051 /nfs/dbraw/zinc/57/70/51/398577051.db2.gz UGWLEKVQBSZQAQ-ZDUSSCGKSA-N 1 3 324.852 2.948 20 0 DFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)c(F)c1 ZINC000173313444 186175554 /nfs/dbraw/zinc/17/55/54/186175554.db2.gz JJELSNJKPAPJEP-ZDUSSCGKSA-N 1 3 311.420 2.641 20 0 DFADHO CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000414804642 295820957 /nfs/dbraw/zinc/82/09/57/295820957.db2.gz OSIIFGZTRYAKLJ-HOCLYGCPSA-N 1 3 309.498 2.521 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2CN)cc1OC ZINC000414805953 295821085 /nfs/dbraw/zinc/82/10/85/295821085.db2.gz PZXKBVKRMHGPMF-CWRNSKLLSA-N 1 3 306.450 2.742 20 0 DFADHO COc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000414814175 295821395 /nfs/dbraw/zinc/82/13/95/295821395.db2.gz ZBKWFCXIZVTWKV-STQMWFEESA-N 1 3 314.376 2.904 20 0 DFADHO C[C@H]([NH3+])CCNCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414822602 295822237 /nfs/dbraw/zinc/82/22/37/295822237.db2.gz NEWYSZFKTJCMBE-AWEZNQCLSA-N 1 3 313.449 2.887 20 0 DFADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CCCNC1 ZINC000414837027 295824202 /nfs/dbraw/zinc/82/42/02/295824202.db2.gz VJFQMBFDMAVLAU-HOTGVXAUSA-N 1 3 306.450 2.614 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414844441 295825286 /nfs/dbraw/zinc/82/52/86/295825286.db2.gz RJDXRSUSSAOSSO-STQMWFEESA-N 1 3 311.857 2.811 20 0 DFADHO COc1cccc2c1C[C@H]([NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000459741385 299178859 /nfs/dbraw/zinc/17/88/59/299178859.db2.gz ZWPUTUYGTASUKE-QGZVFWFLSA-N 1 3 323.440 2.816 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414862419 295827828 /nfs/dbraw/zinc/82/78/28/295827828.db2.gz XOUPBYYPYSWFAA-ZOBUZTSGSA-N 1 3 317.477 2.944 20 0 DFADHO C[C@H](Cc1ccc(Br)c(F)c1)NC[C@@H]1CC[NH2+]C1 ZINC000414897971 295832039 /nfs/dbraw/zinc/83/20/39/295832039.db2.gz ALIJGQPAWMBGJG-ZYHUDNBSSA-N 1 3 315.230 2.718 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCN(C)CC(C)C)C[C@H]1C ZINC000593647344 398664656 /nfs/dbraw/zinc/66/46/56/398664656.db2.gz XPECNBJOPFZKAI-IXDOHACOSA-N 1 3 312.498 2.922 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1F)NC[C@@H]1CC[NH2+]C1 ZINC000414918401 295834797 /nfs/dbraw/zinc/83/47/97/295834797.db2.gz UDENQJNBCWEXBJ-GHMZBOCLSA-N 1 3 315.230 2.718 20 0 DFADHO COc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)ccc1OC(F)F ZINC000414936245 295837455 /nfs/dbraw/zinc/83/74/55/295837455.db2.gz ZDXQGRBDNLEDND-NEPJUHHUSA-N 1 3 300.349 2.656 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000390308251 398671181 /nfs/dbraw/zinc/67/11/81/398671181.db2.gz FJBHKAOJAINTPM-ABHNRTSZSA-N 1 3 317.477 2.703 20 0 DFADHO COCC1(CNCc2c(F)cc(C)cc2Cl)CC[NH2+]CC1 ZINC000414966456 295842282 /nfs/dbraw/zinc/84/22/82/295842282.db2.gz CAYFVDXNSGNSMO-UHFFFAOYSA-N 1 3 314.832 2.893 20 0 DFADHO CCn1nc(CNCC[C@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000459778592 299189444 /nfs/dbraw/zinc/18/94/44/299189444.db2.gz LCPPRESZSKZVEW-OAHLLOKOSA-N 1 3 300.450 2.878 20 0 DFADHO CCn1nc(CNCC[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000459778592 299189446 /nfs/dbraw/zinc/18/94/46/299189446.db2.gz LCPPRESZSKZVEW-OAHLLOKOSA-N 1 3 300.450 2.878 20 0 DFADHO CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000590787121 398675472 /nfs/dbraw/zinc/67/54/72/398675472.db2.gz XJDZVMFPNFXWKY-QGZVFWFLSA-N 1 3 323.525 2.686 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000590787121 398675475 /nfs/dbraw/zinc/67/54/75/398675475.db2.gz XJDZVMFPNFXWKY-QGZVFWFLSA-N 1 3 323.525 2.686 20 0 DFADHO COc1cc2c(c(CNCCC[C@@H]3CCC[NH2+]3)c1)O[C@H](C)C2 ZINC000414976363 295843503 /nfs/dbraw/zinc/84/35/03/295843503.db2.gz PRCYMJQPRUOOTJ-CZUORRHYSA-N 1 3 304.434 2.640 20 0 DFADHO Cc1ccccc1NC(=O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000072637732 191208012 /nfs/dbraw/zinc/20/80/12/191208012.db2.gz QBEZKSQWUZZIGE-MRXNPFEDSA-N 1 3 303.450 2.597 20 0 DFADHO Cc1ccccc1NC(=O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000072637732 191208015 /nfs/dbraw/zinc/20/80/15/191208015.db2.gz QBEZKSQWUZZIGE-MRXNPFEDSA-N 1 3 303.450 2.597 20 0 DFADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000415001742 295846178 /nfs/dbraw/zinc/84/61/78/295846178.db2.gz LJLVSFMDPKDKEU-ZVZYQTTQSA-N 1 3 306.425 2.535 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000072858034 191238800 /nfs/dbraw/zinc/23/88/00/191238800.db2.gz MOYXVDGQXGVJKH-MRXNPFEDSA-N 1 3 303.450 2.597 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000072858034 191238802 /nfs/dbraw/zinc/23/88/02/191238802.db2.gz MOYXVDGQXGVJKH-MRXNPFEDSA-N 1 3 303.450 2.597 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2cncc(Br)c2)C1 ZINC000459785735 299192566 /nfs/dbraw/zinc/19/25/66/299192566.db2.gz PCSACMLIODTIRS-LBPRGKRZSA-N 1 3 312.255 2.666 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2cncc(Br)c2)C1 ZINC000459785735 299192569 /nfs/dbraw/zinc/19/25/69/299192569.db2.gz PCSACMLIODTIRS-LBPRGKRZSA-N 1 3 312.255 2.666 20 0 DFADHO [NH3+]C[C@@H]1CC[C@H](NCc2cc(Br)ccc2F)C1 ZINC000415029139 295848529 /nfs/dbraw/zinc/84/85/29/295848529.db2.gz DIPFABGEGAUDMH-SKDRFNHKSA-N 1 3 301.203 2.805 20 0 DFADHO CO[C@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C12CCC2 ZINC000459794942 299195100 /nfs/dbraw/zinc/19/51/00/299195100.db2.gz VBTOSAVNYWQTJG-SJORKVTESA-N 1 3 301.434 2.598 20 0 DFADHO CC(C)[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000415079424 295855310 /nfs/dbraw/zinc/85/53/10/295855310.db2.gz KCOZCWLHVDJNMQ-QAPCUYQASA-N 1 3 304.434 2.887 20 0 DFADHO Brc1cccc(OCCN[C@@H]2CCC[NH2+]CC2)c1 ZINC000415085483 295856219 /nfs/dbraw/zinc/85/62/19/295856219.db2.gz SNGQPYKRTRGXDK-CYBMUJFWSA-N 1 3 313.239 2.560 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000173911295 198266909 /nfs/dbraw/zinc/26/69/09/198266909.db2.gz PMWYRFBNUTXHGW-AWEZNQCLSA-N 1 3 323.868 2.942 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000173911295 198266911 /nfs/dbraw/zinc/26/69/11/198266911.db2.gz PMWYRFBNUTXHGW-AWEZNQCLSA-N 1 3 323.868 2.942 20 0 DFADHO COc1cc(F)c([C@H](C)NC[C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000415093268 295857017 /nfs/dbraw/zinc/85/70/17/295857017.db2.gz UYZCGKCRIVATJZ-FRRDWIJNSA-N 1 3 310.413 2.882 20 0 DFADHO C[C@H](CC[NH+](C)C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000073643756 398692612 /nfs/dbraw/zinc/69/26/12/398692612.db2.gz YAAYBRJDONJGTP-CYBMUJFWSA-N 1 3 317.433 2.564 20 0 DFADHO CCN1CCN(c2ccc(NC[C@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000415118839 295860571 /nfs/dbraw/zinc/86/05/71/295860571.db2.gz JZTLHHMASQHTEN-KRWDZBQOSA-N 1 3 316.493 2.548 20 0 DFADHO CCOc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415121253 295860974 /nfs/dbraw/zinc/86/09/74/295860974.db2.gz HWDZWBSNPBZWLL-IEBWSBKVSA-N 1 3 318.461 2.804 20 0 DFADHO CCN1CCN(c2ccc(NC[C@]3(C)CC[NH2+]C3)c(C)c2)CC1 ZINC000415124840 295861518 /nfs/dbraw/zinc/86/15/18/295861518.db2.gz RRCPJCAZCMDDAJ-LJQANCHMSA-N 1 3 316.493 2.548 20 0 DFADHO C[C@H](CCNC(=O)c1ccc(CN(C)C)cc1)[NH+]1CCCCC1 ZINC000182249046 199410565 /nfs/dbraw/zinc/41/05/65/199410565.db2.gz GSWLFBSMEUGYCU-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO CCC[NH+]1CCC(CNC(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000236771126 202001926 /nfs/dbraw/zinc/00/19/26/202001926.db2.gz RELXAYCVJYRICI-CRAIPNDOSA-N 1 3 317.477 2.561 20 0 DFADHO C[N@@H+]1CC[C@@H](C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000591097635 398726812 /nfs/dbraw/zinc/72/68/12/398726812.db2.gz YATGEZUTOAXELL-MRXNPFEDSA-N 1 3 301.434 2.563 20 0 DFADHO C[N@H+]1CC[C@@H](C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000591097635 398726815 /nfs/dbraw/zinc/72/68/15/398726815.db2.gz YATGEZUTOAXELL-MRXNPFEDSA-N 1 3 301.434 2.563 20 0 DFADHO CCN(Cc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1)C1CC1 ZINC000131876420 283102523 /nfs/dbraw/zinc/10/25/23/283102523.db2.gz VETLTCDUJRGVBQ-UHFFFAOYSA-N 1 3 315.461 2.671 20 0 DFADHO CC[NH+](CC)CCCCNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000236844436 202035405 /nfs/dbraw/zinc/03/54/05/202035405.db2.gz HRFXJQUKZVFOQJ-DOTOQJQBSA-N 1 3 305.466 2.561 20 0 DFADHO CC[NH+](CC)CCCCNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000236844459 202035644 /nfs/dbraw/zinc/03/56/44/202035644.db2.gz HRFXJQUKZVFOQJ-RDJZCZTQSA-N 1 3 305.466 2.561 20 0 DFADHO C[C@H](NC(=O)C[C@@H](c1ccccc1)N(C)C)C(C)(C)C[NH+](C)C ZINC000416155759 295925293 /nfs/dbraw/zinc/92/52/93/295925293.db2.gz NEQDETWHYCWCMW-RDJZCZTQSA-N 1 3 319.493 2.772 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C(CC)(CC)C[NH3+])c1ccccc1 ZINC000236873260 202045672 /nfs/dbraw/zinc/04/56/72/202045672.db2.gz KNZUQRVSLBRJOO-QGZVFWFLSA-N 1 3 319.493 2.951 20 0 DFADHO C[NH+](C)CC[C@@H](NC(=O)C[C@@H](N)c1ccccc1)C(C)(C)C ZINC000236982750 202106702 /nfs/dbraw/zinc/10/67/02/202106702.db2.gz JHJBNPPVROCHHF-HZPDHXFCSA-N 1 3 305.466 2.559 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000236988089 202110191 /nfs/dbraw/zinc/11/01/91/202110191.db2.gz XURGSELJDOVYJV-PBHICJAKSA-N 1 3 303.450 2.984 20 0 DFADHO CCC[C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000136206418 283237162 /nfs/dbraw/zinc/23/71/62/283237162.db2.gz RVPPUXIXCQCLBP-IXDOHACOSA-N 1 3 311.514 2.591 20 0 DFADHO CCC[C@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000136206418 283237166 /nfs/dbraw/zinc/23/71/66/283237166.db2.gz RVPPUXIXCQCLBP-IXDOHACOSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@H]([NH2+]CC1CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000178278427 198841403 /nfs/dbraw/zinc/84/14/03/198841403.db2.gz MCLVSGDYDROFAI-HNNXBMFYSA-N 1 3 306.450 2.704 20 0 DFADHO CC(C)c1ccc(CC[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000138048449 283255587 /nfs/dbraw/zinc/25/55/87/283255587.db2.gz LQXYYMUPNUDZBH-UHFFFAOYSA-N 1 3 317.521 2.968 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594493390 398808730 /nfs/dbraw/zinc/80/87/30/398808730.db2.gz HLUNJUORJDLXLX-RDTXWAMCSA-N 1 3 316.445 2.782 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000594495900 398809460 /nfs/dbraw/zinc/80/94/60/398809460.db2.gz FEDMNVCEPMNQLW-QANKJYHBSA-N 1 3 316.445 2.923 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000594495900 398809463 /nfs/dbraw/zinc/80/94/63/398809463.db2.gz FEDMNVCEPMNQLW-QANKJYHBSA-N 1 3 316.445 2.923 20 0 DFADHO Cc1nn(C)cc1[C@@H](C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000179470280 199041765 /nfs/dbraw/zinc/04/17/65/199041765.db2.gz FTSMNJGHGZOZMM-CQSZACIVSA-N 1 3 313.449 2.691 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000594615134 398833823 /nfs/dbraw/zinc/83/38/23/398833823.db2.gz PLFFYPPQLKGSPX-VDISTLRHSA-N 1 3 310.825 2.556 20 0 DFADHO CN(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000180104439 199117180 /nfs/dbraw/zinc/11/71/80/199117180.db2.gz SESOHOMVQCOFPK-YQQQUEKLSA-N 1 3 301.478 2.723 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000180109522 199118748 /nfs/dbraw/zinc/11/87/48/199118748.db2.gz NVWVXTZITRVWEF-FXAWDEMLSA-N 1 3 315.505 2.846 20 0 DFADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc([S@](C)=O)cc1 ZINC000278797412 299273276 /nfs/dbraw/zinc/27/32/76/299273276.db2.gz QWCGQDYKNCMQRG-YGQVMDMGSA-N 1 3 306.475 2.700 20 0 DFADHO c1c(C[NH2+]CC2CCN(c3ccncc3)CC2)nc2ccccn12 ZINC000180276278 199140727 /nfs/dbraw/zinc/14/07/27/199140727.db2.gz ARJZWBFUWSPWLX-UHFFFAOYSA-N 1 3 321.428 2.736 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2ccccc2OC)N(C)C)[C@H](C)C1 ZINC000153290735 283361343 /nfs/dbraw/zinc/36/13/43/283361343.db2.gz KDYHZYBPYHDWBQ-NJAFHUGGSA-N 1 3 319.493 2.618 20 0 DFADHO c1ccc(C(NCCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000137654151 398876249 /nfs/dbraw/zinc/87/62/49/398876249.db2.gz LDYMBKBOFHPDEG-UHFFFAOYSA-N 1 3 309.457 2.661 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C[C@@H]2C[C@@H]3C=C[C@H]2C3)C1 ZINC000180998707 199238616 /nfs/dbraw/zinc/23/86/16/199238616.db2.gz UIIBQTIFNBAXCB-LPWQTFTOSA-N 1 3 312.457 2.555 20 0 DFADHO CC(C)[N@H+](C)CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000172810675 283386290 /nfs/dbraw/zinc/38/62/90/283386290.db2.gz VHWGHLSAGHTAQZ-UHFFFAOYSA-N 1 3 317.433 2.564 20 0 DFADHO CC(C)[N@@H+](C)CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000172810675 283386293 /nfs/dbraw/zinc/38/62/93/283386293.db2.gz VHWGHLSAGHTAQZ-UHFFFAOYSA-N 1 3 317.433 2.564 20 0 DFADHO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000186789292 200011322 /nfs/dbraw/zinc/01/13/22/200011322.db2.gz WOBKMHWOVIVDIS-PXTPFGJHSA-N 1 3 314.473 2.790 20 0 DFADHO CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCCCN(C)C2)c1C ZINC000598995207 398905120 /nfs/dbraw/zinc/90/51/20/398905120.db2.gz VXVKLHYBMNATRL-OAHLLOKOSA-N 1 3 321.465 2.630 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000186999224 200044913 /nfs/dbraw/zinc/04/49/13/200044913.db2.gz QLXRHIVJJWOCDP-FQEVSTJZSA-N 1 3 317.521 2.871 20 0 DFADHO COC(=O)CC1CCC([NH2+]CC(C)(C)CN2CCCC2)CC1 ZINC000599044236 398912319 /nfs/dbraw/zinc/91/23/19/398912319.db2.gz NPQVMEMATYFFLO-UHFFFAOYSA-N 1 3 310.482 2.820 20 0 DFADHO C[C@H](CC(=O)N1CCN(CCC(C)(C)C)CC1)C1CC[NH2+]CC1 ZINC000237536586 202274279 /nfs/dbraw/zinc/27/42/79/202274279.db2.gz PGJAFFGNVNBLFF-MRXNPFEDSA-N 1 3 323.525 2.593 20 0 DFADHO C[C@@]1(C(=O)Nc2cccc(CN3CCCCC3)c2)CC[NH2+]C1 ZINC000237631349 202311313 /nfs/dbraw/zinc/31/13/13/202311313.db2.gz OKGPZHNKIVVKQW-GOSISDBHSA-N 1 3 301.434 2.611 20 0 DFADHO COC(=O)[C@@H](C)C[N@H+](CC[C@H]1CCCN1C)Cc1ccccc1 ZINC000247120289 291217851 /nfs/dbraw/zinc/21/78/51/291217851.db2.gz MLHDBDCHMWWXNJ-FUHWJXTLSA-N 1 3 318.461 2.782 20 0 DFADHO COC(=O)[C@@H](C)C[N@@H+](CC[C@H]1CCCN1C)Cc1ccccc1 ZINC000247120289 291217852 /nfs/dbraw/zinc/21/78/52/291217852.db2.gz MLHDBDCHMWWXNJ-FUHWJXTLSA-N 1 3 318.461 2.782 20 0 DFADHO FC(F)CN1CC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000417383315 296015511 /nfs/dbraw/zinc/01/55/11/296015511.db2.gz KGYFOXGJVQTXFA-OAHLLOKOSA-N 1 3 315.452 2.713 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2=CCN(C)CC2)c1C ZINC000271894446 209302790 /nfs/dbraw/zinc/30/27/90/209302790.db2.gz SYEOCRXCWLYNKP-OAHLLOKOSA-N 1 3 315.461 2.872 20 0 DFADHO C[C@H](C[NH2+]Cc1ccnc(OCCN(C)C)c1)c1ccccc1 ZINC000194576835 201254049 /nfs/dbraw/zinc/25/40/49/201254049.db2.gz JEAPPPWUFWELRB-MRXNPFEDSA-N 1 3 313.445 2.915 20 0 DFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(CO)c1 ZINC000271838406 209258595 /nfs/dbraw/zinc/25/85/95/209258595.db2.gz BFUAEZSEBBSPTK-ZACQAIPSSA-N 1 3 320.477 2.719 20 0 DFADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CCN(C)Cc1ccccc1 ZINC000296114122 291306447 /nfs/dbraw/zinc/30/64/47/291306447.db2.gz XYVLHWWYUGGJSO-PKOBYXMFSA-N 1 3 301.478 2.677 20 0 DFADHO Cn1c2ccccc2nc1CCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292939207 223318368 /nfs/dbraw/zinc/31/83/68/223318368.db2.gz JTYPPUITNLOUDZ-LJQANCHMSA-N 1 3 312.461 2.534 20 0 DFADHO Cn1c2ccccc2nc1CCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292939207 223318370 /nfs/dbraw/zinc/31/83/70/223318370.db2.gz JTYPPUITNLOUDZ-LJQANCHMSA-N 1 3 312.461 2.534 20 0 DFADHO COCc1cc([C@@H](C)[NH2+]CC2=CCN(C)CC2)ccc1OC ZINC000271813903 209236513 /nfs/dbraw/zinc/23/65/13/209236513.db2.gz BDBVCJZXPUAFFP-CQSZACIVSA-N 1 3 304.434 2.754 20 0 DFADHO CN1CC[C@H](C[N@H+](C)C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000275426908 212325914 /nfs/dbraw/zinc/32/59/14/212325914.db2.gz FMHVVIXZTMNTIP-WFASDCNBSA-N 1 3 316.367 2.622 20 0 DFADHO CN1CC[C@H](C[N@@H+](C)C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000275426908 212325916 /nfs/dbraw/zinc/32/59/16/212325916.db2.gz FMHVVIXZTMNTIP-WFASDCNBSA-N 1 3 316.367 2.622 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+][C@H]3COC(C)(C)C3)cc2)CC1 ZINC000418041674 296073990 /nfs/dbraw/zinc/07/39/90/296073990.db2.gz KXMLMSFEAOSEJA-MRXNPFEDSA-N 1 3 318.461 2.817 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)C1(c2ccccc2)CCCC1 ZINC000289361067 296119415 /nfs/dbraw/zinc/11/94/15/296119415.db2.gz ZGKRTXCCGYVPEC-QGZVFWFLSA-N 1 3 316.489 2.933 20 0 DFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cncc(F)c1 ZINC000247119817 296122309 /nfs/dbraw/zinc/12/23/09/296122309.db2.gz UOVULTHNAVFXGU-RBSFLKMASA-N 1 3 309.429 2.761 20 0 DFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cncc(F)c1 ZINC000247119798 296122090 /nfs/dbraw/zinc/12/20/90/296122090.db2.gz UOVULTHNAVFXGU-QLFBSQMISA-N 1 3 309.429 2.761 20 0 DFADHO CCN1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000338147404 284090978 /nfs/dbraw/zinc/09/09/78/284090978.db2.gz FOJHMDQOGNHKSZ-SFHVURJKSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000261679389 203092455 /nfs/dbraw/zinc/09/24/55/203092455.db2.gz GRFZGQZYYOCLSK-USXIJHARSA-N 1 3 317.477 2.607 20 0 DFADHO CN(CCN1CC[NH+](C2CCCC2)CC1)Cc1ccccc1 ZINC000093105031 193204615 /nfs/dbraw/zinc/20/46/15/193204615.db2.gz MMVPYGQSKOMREE-UHFFFAOYSA-N 1 3 301.478 2.679 20 0 DFADHO C[C@@H](CSc1nnc(SC[C@H](C)[NH+](C)C)s1)N(C)C ZINC000060202136 399118973 /nfs/dbraw/zinc/11/89/73/399118973.db2.gz LRMVAUQUAOINLV-UWVGGRQHSA-N 1 3 320.553 2.623 20 0 DFADHO CCC[C@@](C)(N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000262587179 203340975 /nfs/dbraw/zinc/34/09/75/203340975.db2.gz SXMZQQLRBWCXIY-GOSISDBHSA-N 1 3 303.450 2.781 20 0 DFADHO C[NH+](C)C1CCN(CCNCc2cc(F)cc(Cl)c2)CC1 ZINC000275013055 212074044 /nfs/dbraw/zinc/07/40/44/212074044.db2.gz QXFQUCWFNVQNAO-UHFFFAOYSA-N 1 3 313.848 2.595 20 0 DFADHO C[N@@H+]1CC[C@H](NCCC(=O)NC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340293695 284169112 /nfs/dbraw/zinc/16/91/12/284169112.db2.gz UQKFAGJHGUGBHV-IRXDYDNUSA-N 1 3 317.477 2.716 20 0 DFADHO C[N@H+]1CC[C@H](NCCC(=O)NC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340293695 284169115 /nfs/dbraw/zinc/16/91/15/284169115.db2.gz UQKFAGJHGUGBHV-IRXDYDNUSA-N 1 3 317.477 2.716 20 0 DFADHO CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000262717037 203391806 /nfs/dbraw/zinc/39/18/06/203391806.db2.gz VZBLHMPUNXJVHF-PKOBYXMFSA-N 1 3 317.477 2.766 20 0 DFADHO COc1ccccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735145 193298233 /nfs/dbraw/zinc/29/82/33/193298233.db2.gz QMQDKFXTXRFWFV-UHFFFAOYSA-N 1 3 318.461 2.772 20 0 DFADHO CC[C@@H](Cn1cncn1)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000340520659 284186352 /nfs/dbraw/zinc/18/63/52/284186352.db2.gz SVVTYWHIOXBHHQ-SFHVURJKSA-N 1 3 315.465 2.687 20 0 DFADHO CC[C@@H](Cn1cncn1)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000340520659 284186355 /nfs/dbraw/zinc/18/63/55/284186355.db2.gz SVVTYWHIOXBHHQ-SFHVURJKSA-N 1 3 315.465 2.687 20 0 DFADHO CC[NH2+]CC1CCN(Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000420283551 296169027 /nfs/dbraw/zinc/16/90/27/296169027.db2.gz CBFZPYGBHUBSPP-UHFFFAOYSA-N 1 3 301.356 2.922 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cc(C(=O)OC)sc2C)CC1 ZINC000420293488 296170104 /nfs/dbraw/zinc/17/01/04/296170104.db2.gz RBAUWYPGVYAKDD-UHFFFAOYSA-N 1 3 310.463 2.665 20 0 DFADHO CCc1ccccc1NC(=O)[C@@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000420302412 296171772 /nfs/dbraw/zinc/17/17/72/296171772.db2.gz FYVSJXFMQHIKBU-OAHLLOKOSA-N 1 3 315.461 2.652 20 0 DFADHO Cc1cc(C)cc(NC(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000420302168 296171877 /nfs/dbraw/zinc/17/18/77/296171877.db2.gz BGSZKCBPFQYYNM-HOTGVXAUSA-N 1 3 303.450 2.691 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000341696533 284276593 /nfs/dbraw/zinc/27/65/93/284276593.db2.gz RSDOOSKGOBXPNK-WMLDXEAASA-N 1 3 303.450 2.665 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000341696533 284276594 /nfs/dbraw/zinc/27/65/94/284276594.db2.gz RSDOOSKGOBXPNK-WMLDXEAASA-N 1 3 303.450 2.665 20 0 DFADHO Cc1cccc(NC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)c1C ZINC000420312540 296173370 /nfs/dbraw/zinc/17/33/70/296173370.db2.gz SIKDNVQHEQLWEQ-INIZCTEOSA-N 1 3 315.461 2.706 20 0 DFADHO CCOC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000420314808 296173695 /nfs/dbraw/zinc/17/36/95/296173695.db2.gz QVTVSEBKBOHBMK-QZTJIDSGSA-N 1 3 318.461 2.612 20 0 DFADHO CCOC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000420314808 296173697 /nfs/dbraw/zinc/17/36/97/296173697.db2.gz QVTVSEBKBOHBMK-QZTJIDSGSA-N 1 3 318.461 2.612 20 0 DFADHO FC(F)(F)c1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)nc1 ZINC000420320096 296174492 /nfs/dbraw/zinc/17/44/92/296174492.db2.gz STKTYJDSFFQPDU-ZDUSSCGKSA-N 1 3 313.367 2.922 20 0 DFADHO Cc1ccc(CCC2CCN(CCN3CC[NH2+]CC3)CC2)cc1 ZINC000420315985 296174095 /nfs/dbraw/zinc/17/40/95/296174095.db2.gz MBKOBBWDRYMVDQ-UHFFFAOYSA-N 1 3 315.505 2.545 20 0 DFADHO [NH3+]C[C@@H]1CN([C@@H]2CCCc3ccc(F)cc32)CC12CCOCC2 ZINC000420325545 296175596 /nfs/dbraw/zinc/17/55/96/296175596.db2.gz IUMXWAMXGCLNCQ-CRAIPNDOSA-N 1 3 318.436 2.890 20 0 DFADHO [NH3+]C[C@H]1CN([C@H]2CCc3ccc(F)cc32)CC12CCOCC2 ZINC000420321274 296174802 /nfs/dbraw/zinc/17/48/02/296174802.db2.gz COZYGRMVVREVNG-YOEHRIQHSA-N 1 3 304.409 2.500 20 0 DFADHO CC[NH+](CC)CCOC1CCN([C@H](C)c2cccnc2)CC1 ZINC000080645757 399165848 /nfs/dbraw/zinc/16/58/48/399165848.db2.gz NUFAVFLUSGXHAW-MRXNPFEDSA-N 1 3 305.466 2.965 20 0 DFADHO Fc1ccc(OCCN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000420336446 296177214 /nfs/dbraw/zinc/17/72/14/296177214.db2.gz MPQUTRCDHDWBGJ-BETUJISGSA-N 1 3 312.816 2.789 20 0 DFADHO CC(=O)c1ccccc1OCCN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339452 296177411 /nfs/dbraw/zinc/17/74/11/296177411.db2.gz LSKSMVVRMDVRBK-DLBZAZTESA-N 1 3 316.445 2.590 20 0 DFADHO COC(=O)c1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)s1 ZINC000420338909 296177535 /nfs/dbraw/zinc/17/75/35/296177535.db2.gz YGYGHTWLWNTGHF-ZIAGYGMSSA-N 1 3 322.474 2.665 20 0 DFADHO c1cnc2sc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420337756 296177004 /nfs/dbraw/zinc/17/70/04/296177004.db2.gz XAGJPXULADCIMI-OLZOCXBDSA-N 1 3 302.447 2.513 20 0 DFADHO C[C@H](c1cccc(F)c1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000420353013 296178850 /nfs/dbraw/zinc/17/88/50/296178850.db2.gz BDVHPBYCKCUASB-MRXNPFEDSA-N 1 3 319.468 2.894 20 0 DFADHO CC[C@@H](Cc1ccccc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282502222 217044314 /nfs/dbraw/zinc/04/43/14/217044314.db2.gz YHDHGOSRGBTZEG-SFHVURJKSA-N 1 3 303.494 2.623 20 0 DFADHO CC1(C)CNCC[C@H]1[NH2+]CCCc1nc(-c2ccccc2)no1 ZINC000420354432 296178798 /nfs/dbraw/zinc/17/87/98/296178798.db2.gz CZKZTJIUQTVQBK-OAHLLOKOSA-N 1 3 314.433 2.647 20 0 DFADHO CC1(C)C[NH2+]CC[C@H]1NCCCc1nc(-c2ccccc2)no1 ZINC000420354432 296178799 /nfs/dbraw/zinc/17/87/99/296178799.db2.gz CZKZTJIUQTVQBK-OAHLLOKOSA-N 1 3 314.433 2.647 20 0 DFADHO [NH3+]CCOCCN1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000420365129 296180710 /nfs/dbraw/zinc/18/07/10/296180710.db2.gz DQCPNQKIXWQTHR-UHFFFAOYSA-N 1 3 314.882 2.872 20 0 DFADHO COc1ccc([C@H](C[NH3+])CN(C)CCc2ncc(C)s2)cc1 ZINC000420368399 296181286 /nfs/dbraw/zinc/18/12/86/296181286.db2.gz WUPNUMIWIWKTLI-OAHLLOKOSA-N 1 3 319.474 2.677 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+](C)CCc2ncc(C)s2)cc1 ZINC000420368399 296181289 /nfs/dbraw/zinc/18/12/89/296181289.db2.gz WUPNUMIWIWKTLI-OAHLLOKOSA-N 1 3 319.474 2.677 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+](C)CCc2ncc(C)s2)cc1 ZINC000420368399 296181291 /nfs/dbraw/zinc/18/12/91/296181291.db2.gz WUPNUMIWIWKTLI-OAHLLOKOSA-N 1 3 319.474 2.677 20 0 DFADHO COc1ccc(NC(=O)CCN[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420374000 296182220 /nfs/dbraw/zinc/18/22/20/296182220.db2.gz RQSIAKMUUULQCM-KRWDZBQOSA-N 1 3 319.449 2.521 20 0 DFADHO Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@@H](N)Cc2ccccc2)cc1C ZINC000420373586 296182297 /nfs/dbraw/zinc/18/22/97/296182297.db2.gz MOHRCPQDYHQRAY-VDGAXYAQSA-N 1 3 312.457 2.885 20 0 DFADHO COc1ccc(C[NH2+]CCCN2CCCCC2)c(C)c1OC ZINC000342063376 284319323 /nfs/dbraw/zinc/31/93/23/284319323.db2.gz POUJOFIIPGEJPI-UHFFFAOYSA-N 1 3 306.450 2.978 20 0 DFADHO FC(F)c1cccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000420386802 296184275 /nfs/dbraw/zinc/18/42/75/296184275.db2.gz IVRYMCJVRKLSHR-CVEARBPZSA-N 1 3 322.399 2.825 20 0 DFADHO CC(C)N1CC[C@@H]([NH2+]C[C@H](C)N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420404593 296186806 /nfs/dbraw/zinc/18/68/06/296186806.db2.gz MGLPEOCQXMQSJO-XZJROXQQSA-N 1 3 313.848 2.940 20 0 DFADHO Cc1cc(C)n(-c2ccc(CN3CC[C@H](C)[C@H](C[NH3+])C3)cc2)n1 ZINC000420417295 296188034 /nfs/dbraw/zinc/18/80/34/296188034.db2.gz WHZCLHABHWWSJO-KBXCAEBGSA-N 1 3 312.461 2.906 20 0 DFADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)N(CC)CC ZINC000618661077 399200716 /nfs/dbraw/zinc/20/07/16/399200716.db2.gz NQHDJLGIFSBUKK-RDJZCZTQSA-N 1 3 309.498 2.630 20 0 DFADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)N(CC)CC ZINC000618661077 399200719 /nfs/dbraw/zinc/20/07/19/399200719.db2.gz NQHDJLGIFSBUKK-RDJZCZTQSA-N 1 3 309.498 2.630 20 0 DFADHO O[C@@]1(Cc2ccc(F)cc2)CC[N@H+](CCCN2CCCCC2)C1 ZINC000421026275 296227999 /nfs/dbraw/zinc/22/79/99/296227999.db2.gz UCQVYCULIXACFB-LJQANCHMSA-N 1 3 320.452 2.681 20 0 DFADHO O[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](CCCN2CCCCC2)C1 ZINC000421026275 296228000 /nfs/dbraw/zinc/22/80/00/296228000.db2.gz UCQVYCULIXACFB-LJQANCHMSA-N 1 3 320.452 2.681 20 0 DFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000618987822 399271681 /nfs/dbraw/zinc/27/16/81/399271681.db2.gz UZFPOYNPSAPZFH-WMZOPIPTSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000618987822 399271684 /nfs/dbraw/zinc/27/16/84/399271684.db2.gz UZFPOYNPSAPZFH-WMZOPIPTSA-N 1 3 321.509 2.630 20 0 DFADHO C[NH+](C)C1CCC(NCc2ccc(Br)cn2)CC1 ZINC000421373334 296250049 /nfs/dbraw/zinc/25/00/49/296250049.db2.gz NPMYMGQIMBYPHO-UHFFFAOYSA-N 1 3 312.255 2.807 20 0 DFADHO CON1CCC(NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000421402384 296253077 /nfs/dbraw/zinc/25/30/77/296253077.db2.gz VSKPWIDEEOPPMG-YJBOKZPZSA-N 1 3 309.498 2.645 20 0 DFADHO CON1CCC([NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000421402384 296253078 /nfs/dbraw/zinc/25/30/78/296253078.db2.gz VSKPWIDEEOPPMG-YJBOKZPZSA-N 1 3 309.498 2.645 20 0 DFADHO CN(Cc1csc(Br)c1)CC1CC[NH2+]CC1 ZINC000042365811 183260120 /nfs/dbraw/zinc/26/01/20/183260120.db2.gz GSTUKJRSLZCAFC-UHFFFAOYSA-N 1 3 303.269 2.942 20 0 DFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000623067070 399321998 /nfs/dbraw/zinc/32/19/98/399321998.db2.gz YIGYOQKIHVYHMQ-MRXNPFEDSA-N 1 3 306.454 2.585 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)N(C)C ZINC000615445020 399337317 /nfs/dbraw/zinc/33/73/17/399337317.db2.gz HFPJCRUWYDSOTE-QGZVFWFLSA-N 1 3 323.525 2.686 20 0 DFADHO COc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1OC1CC1 ZINC000623356475 399370889 /nfs/dbraw/zinc/37/08/89/399370889.db2.gz SELGQVUGPCYMLT-OAHLLOKOSA-N 1 3 316.445 2.810 20 0 DFADHO CN(C)C(=O)C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000623374370 399375006 /nfs/dbraw/zinc/37/50/06/399375006.db2.gz BPDSKHAZGMWDKT-DLBZAZTESA-N 1 3 317.477 2.668 20 0 DFADHO COc1ccc(CNCC2CC[NH+](C)CC2)c(Cl)c1OC ZINC000106367142 194202096 /nfs/dbraw/zinc/20/20/96/194202096.db2.gz LTJHZVNFFQNMRN-UHFFFAOYSA-N 1 3 312.841 2.789 20 0 DFADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000273750558 211027588 /nfs/dbraw/zinc/02/75/88/211027588.db2.gz TWRLZCCZPRZGIK-GOSISDBHSA-N 1 3 315.461 2.870 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H](N)Cc2ccccc2)[C@@H]1C ZINC000602024062 399386675 /nfs/dbraw/zinc/38/66/75/399386675.db2.gz ZOXRSODMAORCMU-UBDQQSCGSA-N 1 3 318.461 2.514 20 0 DFADHO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623430922 399388259 /nfs/dbraw/zinc/38/82/59/399388259.db2.gz LOBDWBYURDKNGR-CZUORRHYSA-N 1 3 304.434 2.981 20 0 DFADHO CN(CC[NH2+][C@H]1CCN(C)C(C)(C)C1)Cc1ccc(F)cc1 ZINC000623440269 399390087 /nfs/dbraw/zinc/39/00/87/399390087.db2.gz PRXNJBUOUHGCJS-KRWDZBQOSA-N 1 3 307.457 2.720 20 0 DFADHO CN(CCN[C@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccc(F)cc1 ZINC000623440269 399390089 /nfs/dbraw/zinc/39/00/89/399390089.db2.gz PRXNJBUOUHGCJS-KRWDZBQOSA-N 1 3 307.457 2.720 20 0 DFADHO CN(CCN[C@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccc(F)cc1 ZINC000623440269 399390092 /nfs/dbraw/zinc/39/00/92/399390092.db2.gz PRXNJBUOUHGCJS-KRWDZBQOSA-N 1 3 307.457 2.720 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000623445943 399391845 /nfs/dbraw/zinc/39/18/45/399391845.db2.gz LADOBIVKJOTLOG-KBPBESRZSA-N 1 3 322.884 2.776 20 0 DFADHO C[N@H+]1CC[C@H](N[C@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000623445943 399391847 /nfs/dbraw/zinc/39/18/47/399391847.db2.gz LADOBIVKJOTLOG-KBPBESRZSA-N 1 3 322.884 2.776 20 0 DFADHO C[C@@H]1C[C@@H](C)N(Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C[NH3+] ZINC000422559485 296312444 /nfs/dbraw/zinc/31/24/44/296312444.db2.gz DFSGHGFRVRBCBV-MCIONIFRSA-N 1 3 318.490 2.954 20 0 DFADHO C[C@@H]1C[C@@H](C)N(Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C[NH3+] ZINC000422559486 296312268 /nfs/dbraw/zinc/31/22/68/296312268.db2.gz DFSGHGFRVRBCBV-MGPQQGTHSA-N 1 3 318.490 2.954 20 0 DFADHO COCCOc1cccc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422560477 296312708 /nfs/dbraw/zinc/31/27/08/296312708.db2.gz GWSBQAVZTIRJTN-ZOBUZTSGSA-N 1 3 306.450 2.517 20 0 DFADHO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)c2ccccc21 ZINC000623474923 399397580 /nfs/dbraw/zinc/39/75/80/399397580.db2.gz VNXKPGXFQYQQBG-DOTOQJQBSA-N 1 3 315.461 2.947 20 0 DFADHO COc1ccc([C@H](CCO)[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623476853 399397623 /nfs/dbraw/zinc/39/76/23/399397623.db2.gz RHXNACRXLSQCCZ-RDJZCZTQSA-N 1 3 306.450 2.581 20 0 DFADHO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)c2ccccc21 ZINC000623474926 399397341 /nfs/dbraw/zinc/39/73/41/399397341.db2.gz VNXKPGXFQYQQBG-WBVHZDCISA-N 1 3 315.461 2.947 20 0 DFADHO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)CCO2 ZINC000623494567 399401743 /nfs/dbraw/zinc/40/17/43/399401743.db2.gz URCNVIXDOAXFEP-CJNGLKHVSA-N 1 3 304.434 2.981 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2ccc(Cl)cc2)CC1 ZINC000422705984 296319071 /nfs/dbraw/zinc/31/90/71/296319071.db2.gz SLWNOVZPKCOMIC-MAZHCROVSA-N 1 3 308.853 2.714 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422705984 296319073 /nfs/dbraw/zinc/31/90/73/296319073.db2.gz SLWNOVZPKCOMIC-MAZHCROVSA-N 1 3 308.853 2.714 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422700495 296318636 /nfs/dbraw/zinc/31/86/36/296318636.db2.gz CAVIFFBWVHRCNF-KXBFYZLASA-N 1 3 319.468 2.768 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC(C)(C)N1CCc2ccccc2C1 ZINC000422704174 296318843 /nfs/dbraw/zinc/31/88/43/296318843.db2.gz OTGDEBSMJCJVLF-APWZRJJASA-N 1 3 315.505 2.801 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000268940852 207106422 /nfs/dbraw/zinc/10/64/22/207106422.db2.gz AGRSXTSRTLDIFH-MSOLQXFVSA-N 1 3 300.446 2.580 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000268940852 207106427 /nfs/dbraw/zinc/10/64/27/207106427.db2.gz AGRSXTSRTLDIFH-MSOLQXFVSA-N 1 3 300.446 2.580 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000268940852 207106431 /nfs/dbraw/zinc/10/64/31/207106431.db2.gz AGRSXTSRTLDIFH-MSOLQXFVSA-N 1 3 300.446 2.580 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000268940852 207106435 /nfs/dbraw/zinc/10/64/35/207106435.db2.gz AGRSXTSRTLDIFH-MSOLQXFVSA-N 1 3 300.446 2.580 20 0 DFADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623531164 399409787 /nfs/dbraw/zinc/40/97/87/399409787.db2.gz KXGFPCXENGNOIL-HUUCEWRRSA-N 1 3 305.441 2.867 20 0 DFADHO C[N@H+]1CC[C@@H](N[C@@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623531164 399409789 /nfs/dbraw/zinc/40/97/89/399409789.db2.gz KXGFPCXENGNOIL-HUUCEWRRSA-N 1 3 305.441 2.867 20 0 DFADHO CSc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1F ZINC000268964932 207128777 /nfs/dbraw/zinc/12/87/77/207128777.db2.gz GSWSJYVBNJOSCQ-GFCCVEGCSA-N 1 3 312.454 2.655 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422721053 296321251 /nfs/dbraw/zinc/32/12/51/296321251.db2.gz NHQUZFJFZSQZDH-KSSFIOAISA-N 1 3 323.431 2.646 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000623563632 399416973 /nfs/dbraw/zinc/41/69/73/399416973.db2.gz FFKFCFCJEDZTPX-DSYPUSFNSA-N 1 3 314.473 2.777 20 0 DFADHO C[C@@H](N)C[C@H](C)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422725314 296321997 /nfs/dbraw/zinc/32/19/97/296321997.db2.gz XWWYRGQZPGCXKS-OLZOCXBDSA-N 1 3 311.420 2.645 20 0 DFADHO CCc1ccc([C@H](CN[C@H]2CCCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000422729468 296322906 /nfs/dbraw/zinc/32/29/06/296322906.db2.gz IDWGLGIKUQBFEL-FHWLQOOXSA-N 1 3 303.494 2.959 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)CC2 ZINC000623657688 399438189 /nfs/dbraw/zinc/43/81/89/399438189.db2.gz WPCHTLDFWBTIOH-QAPCUYQASA-N 1 3 302.462 2.874 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000269051877 207199692 /nfs/dbraw/zinc/19/96/92/207199692.db2.gz VZRBLLOUSRINTB-CVEARBPZSA-N 1 3 300.450 2.922 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000269138757 207270773 /nfs/dbraw/zinc/27/07/73/207270773.db2.gz YQOYSQAYSABZDX-MOPGFXCFSA-N 1 3 302.462 2.916 20 0 DFADHO CCOC(=O)c1ccc(CNCCCC[NH+]2CCC(C)CC2)[nH]1 ZINC000602514425 399465883 /nfs/dbraw/zinc/46/58/83/399465883.db2.gz MSTONRBRHHRTDP-UHFFFAOYSA-N 1 3 321.465 2.793 20 0 DFADHO CN(C)Cc1ccccc1C(=O)NCC1([NH3+])CCCCCC1 ZINC000422741608 296324411 /nfs/dbraw/zinc/32/44/11/296324411.db2.gz PYJQMLQDGRGCCW-UHFFFAOYSA-N 1 3 303.450 2.530 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](c1cccs1)N1CCCC1 ZINC000422735329 296323858 /nfs/dbraw/zinc/32/38/58/296323858.db2.gz VZCJEZSZMRZQDM-HRCADAONSA-N 1 3 307.507 2.992 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1c(Cl)cccc1Cl ZINC000422738499 296324126 /nfs/dbraw/zinc/32/41/26/296324126.db2.gz JMJJPTRFXHNUOD-JVLSTEMRSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000422738499 296324127 /nfs/dbraw/zinc/32/41/27/296324127.db2.gz JMJJPTRFXHNUOD-JVLSTEMRSA-N 1 3 317.260 2.878 20 0 DFADHO c1cn(-c2cccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)cn1 ZINC000422742393 296324533 /nfs/dbraw/zinc/32/45/33/296324533.db2.gz GFSCSTADGDJRTN-CEXWTWQISA-N 1 3 310.445 2.883 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2cccc(Br)c2)CC1 ZINC000422743752 296324833 /nfs/dbraw/zinc/32/48/33/296324833.db2.gz JGSDDLDABFTFNL-KGLIPLIRSA-N 1 3 309.251 2.950 20 0 DFADHO CC[C@H](N[C@H]1CCN([C@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422745659 296325301 /nfs/dbraw/zinc/32/53/01/296325301.db2.gz VKMFMCAWJTWHQW-BVBHFADKSA-N 1 3 301.478 2.942 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422750579 296326212 /nfs/dbraw/zinc/32/62/12/296326212.db2.gz AAYXPSMRCALANW-QGPMSJSTSA-N 1 3 305.441 2.772 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422751974 296326520 /nfs/dbraw/zinc/32/65/20/296326520.db2.gz DJUYKKUMJZPZRA-MAUKXSAKSA-N 1 3 320.452 2.852 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000422751892 296326646 /nfs/dbraw/zinc/32/66/46/296326646.db2.gz DEPQUAGYJBMVEF-YYWHXJBOSA-N 1 3 323.484 2.809 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000422751892 296326647 /nfs/dbraw/zinc/32/66/47/296326647.db2.gz DEPQUAGYJBMVEF-YYWHXJBOSA-N 1 3 323.484 2.809 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000422753591 296327032 /nfs/dbraw/zinc/32/70/32/296327032.db2.gz IRSUIOXNDIKSJZ-FFZOFVMBSA-N 1 3 311.473 2.837 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](c1ccccc1)N(C)C ZINC000422753591 296327033 /nfs/dbraw/zinc/32/70/33/296327033.db2.gz IRSUIOXNDIKSJZ-FFZOFVMBSA-N 1 3 311.473 2.837 20 0 DFADHO COc1cccc([C@@H](CN[C@@H]2CCC[NH2+]CC2)N2CCCC2)c1 ZINC000422752742 296327045 /nfs/dbraw/zinc/32/70/45/296327045.db2.gz FIEFGXWSQPXJOE-IEBWSBKVSA-N 1 3 317.477 2.564 20 0 DFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCCOC1CCCC1 ZINC000422759843 296328217 /nfs/dbraw/zinc/32/82/17/296328217.db2.gz KGAYYQYPACQDLS-PKOBYXMFSA-N 1 3 316.445 2.791 20 0 DFADHO Clc1cccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422763297 296328952 /nfs/dbraw/zinc/32/89/52/296328952.db2.gz NDWGGLYIIGNCLX-BRWVUGGUSA-N 1 3 308.853 2.629 20 0 DFADHO Fc1cccc(N2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422767076 296329774 /nfs/dbraw/zinc/32/97/74/296329774.db2.gz SGUMHBRQDRDIDZ-LVYZTWJOSA-N 1 3 303.425 2.667 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](CCO)c1ccccc1 ZINC000422775244 296331018 /nfs/dbraw/zinc/33/10/18/296331018.db2.gz AURSVGJZBCBZHC-YOEHRIQHSA-N 1 3 313.445 2.666 20 0 DFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCn1cnc2ccccc21 ZINC000422772840 296330734 /nfs/dbraw/zinc/33/07/34/296330734.db2.gz ZQMRWHUBDQWGHJ-QAPCUYQASA-N 1 3 308.429 2.584 20 0 DFADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)[C@H]1CCCCO1 ZINC000623879534 399485849 /nfs/dbraw/zinc/48/58/49/399485849.db2.gz JLKBQFOAEBMZNN-DOTOQJQBSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@@H](CCC[NH3+])N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422783607 296332149 /nfs/dbraw/zinc/33/21/49/296332149.db2.gz OMGGGBIAKYAYLS-JSGCOSHPSA-N 1 3 309.841 2.552 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1CCCCO1 ZINC000623907700 399491320 /nfs/dbraw/zinc/49/13/20/399491320.db2.gz BDLNJRNRLYNRPB-QAPCUYQASA-N 1 3 303.450 2.845 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCNc1ncc(Cl)cc1Cl ZINC000422789596 296333285 /nfs/dbraw/zinc/33/32/85/296333285.db2.gz UKCVWBVERNZZCE-ZWNOBZJWSA-N 1 3 317.264 2.907 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422789596 296333287 /nfs/dbraw/zinc/33/32/87/296333287.db2.gz UKCVWBVERNZZCE-ZWNOBZJWSA-N 1 3 317.264 2.907 20 0 DFADHO CCC[C@H](C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1)N(C)C ZINC000422791832 296333748 /nfs/dbraw/zinc/33/37/48/296333748.db2.gz DIHREUNQBMQPDK-DLBZAZTESA-N 1 3 305.466 2.656 20 0 DFADHO CCc1ccc([C@@H](CNC(=O)CCCCCC[NH3+])N(C)C)cc1 ZINC000269245467 207379068 /nfs/dbraw/zinc/37/90/68/207379068.db2.gz UDSVZPQZJBMFDZ-GOSISDBHSA-N 1 3 319.493 2.877 20 0 DFADHO Cc1ccc(O[C@H](C)CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422795503 296334519 /nfs/dbraw/zinc/33/45/19/296334519.db2.gz VTUXXPDUBPMUSN-XGXHKWSGSA-N 1 3 318.461 2.509 20 0 DFADHO Cc1nc(-c2ccc(CCN[C@H](C)C3C[NH2+]C3)s2)cs1 ZINC000422794866 296334218 /nfs/dbraw/zinc/33/42/18/296334218.db2.gz HCEYLYXMKLIMFU-SNVBAGLBSA-N 1 3 307.488 2.920 20 0 DFADHO Cc1nc(-c2ccc(CC[NH2+][C@H](C)C3CNC3)s2)cs1 ZINC000422794866 296334219 /nfs/dbraw/zinc/33/42/19/296334219.db2.gz HCEYLYXMKLIMFU-SNVBAGLBSA-N 1 3 307.488 2.920 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000422802450 296335534 /nfs/dbraw/zinc/33/55/34/296335534.db2.gz BMMASVNHRUGLEM-YOMYCBHVSA-N 1 3 308.388 2.697 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1cccc(OC)c1 ZINC000422797594 296334934 /nfs/dbraw/zinc/33/49/34/296334934.db2.gz NNJCARYBBNTVES-OKZBNKHCSA-N 1 3 305.466 2.548 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@H]1CCC[C@@H]1N)c1cccc(OC)c1 ZINC000422797594 296334935 /nfs/dbraw/zinc/33/49/35/296334935.db2.gz NNJCARYBBNTVES-OKZBNKHCSA-N 1 3 305.466 2.548 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC000422797593 296334966 /nfs/dbraw/zinc/33/49/66/296334966.db2.gz NNJCARYBBNTVES-KZNAEPCWSA-N 1 3 305.466 2.548 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1N)c1cccc(OC)c1 ZINC000422797593 296334968 /nfs/dbraw/zinc/33/49/68/296334968.db2.gz NNJCARYBBNTVES-KZNAEPCWSA-N 1 3 305.466 2.548 20 0 DFADHO c1ccc2c(c1)CCN(CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422802913 296335884 /nfs/dbraw/zinc/33/58/84/296335884.db2.gz HWWYUDYHIITIGX-XUVXKRRUSA-N 1 3 313.489 2.555 20 0 DFADHO c1ccc2c(c1)CCC[C@@H]2CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422805325 296336147 /nfs/dbraw/zinc/33/61/47/296336147.db2.gz LXFWBFZBUQAWRI-GSEOLPGOSA-N 1 3 314.473 2.853 20 0 DFADHO c1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422810834 296337344 /nfs/dbraw/zinc/33/73/44/296337344.db2.gz NYUBISKKGAKSIC-GUDVDZBRSA-N 1 3 314.473 2.855 20 0 DFADHO CO[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422806736 296336594 /nfs/dbraw/zinc/33/65/94/296336594.db2.gz LDPJBVDHLZKCDX-JQHSSLGASA-N 1 3 304.434 2.503 20 0 DFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@@H]1CCCSC1 ZINC000422815240 296338275 /nfs/dbraw/zinc/33/82/75/296338275.db2.gz BAZJVRSEWRAAMI-FRFSOERESA-N 1 3 304.459 2.728 20 0 DFADHO CC[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000422812574 296337493 /nfs/dbraw/zinc/33/74/93/296337493.db2.gz WOQPNNCTRBVUJF-PWIZWCRZSA-N 1 3 315.505 2.801 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000422812081 296337549 /nfs/dbraw/zinc/33/75/49/296337549.db2.gz XEKPAFDKASUGDL-PXAZEXFGSA-N 1 3 318.490 2.864 20 0 DFADHO C[C@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)C[C@@H]1CN ZINC000631841743 399506496 /nfs/dbraw/zinc/50/64/96/399506496.db2.gz PDSLJOBFWFVELB-HOCLYGCPSA-N 1 3 311.429 2.695 20 0 DFADHO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)C[C@@H]1CN ZINC000631841743 399506498 /nfs/dbraw/zinc/50/64/98/399506498.db2.gz PDSLJOBFWFVELB-HOCLYGCPSA-N 1 3 311.429 2.695 20 0 DFADHO C[C@H]1CN(CCC(=O)Nc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000631841743 399506502 /nfs/dbraw/zinc/50/65/02/399506502.db2.gz PDSLJOBFWFVELB-HOCLYGCPSA-N 1 3 311.429 2.695 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000422818665 296339091 /nfs/dbraw/zinc/33/90/91/296339091.db2.gz GVPIVWOXBLPBOQ-APHBMKBZSA-N 1 3 310.869 2.960 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC(C)(C)c1cccc(Cl)c1 ZINC000422818665 296339092 /nfs/dbraw/zinc/33/90/92/296339092.db2.gz GVPIVWOXBLPBOQ-APHBMKBZSA-N 1 3 310.869 2.960 20 0 DFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@H]1CCCSC1 ZINC000422815241 296338400 /nfs/dbraw/zinc/33/84/00/296338400.db2.gz BAZJVRSEWRAAMI-JLJPHGGASA-N 1 3 304.459 2.728 20 0 DFADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000422815329 296338554 /nfs/dbraw/zinc/33/85/54/296338554.db2.gz XKHWFGFUYTWQID-RYUDHWBXSA-N 1 3 313.401 2.989 20 0 DFADHO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422826009 296339982 /nfs/dbraw/zinc/33/99/82/296339982.db2.gz QLOCWLDVSUBHBG-YJBOKZPZSA-N 1 3 313.445 2.757 20 0 DFADHO CCN(CC)[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422828725 296340865 /nfs/dbraw/zinc/34/08/65/296340865.db2.gz GPKJUCMUMGBEJP-BHIYHBOVSA-N 1 3 303.494 2.670 20 0 DFADHO CC(C)CC[NH+]1CCC(CN[C@H](C)c2cnccc2N)CC1 ZINC000422830842 296341260 /nfs/dbraw/zinc/34/12/60/296341260.db2.gz DEFJOLYONUZQPR-OAHLLOKOSA-N 1 3 304.482 2.903 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cn2c(n1)CCCC2 ZINC000422839064 296342305 /nfs/dbraw/zinc/34/23/05/296342305.db2.gz YZABZBGKEXZFMQ-HOTGVXAUSA-N 1 3 304.482 2.662 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1cn2c(n1)CCCC2 ZINC000422839066 296342320 /nfs/dbraw/zinc/34/23/20/296342320.db2.gz YZABZBGKEXZFMQ-JKSUJKDBSA-N 1 3 304.482 2.662 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000422832338 296341521 /nfs/dbraw/zinc/34/15/21/296341521.db2.gz FTHJYGKKRCPXSP-QGZVFWFLSA-N 1 3 301.434 2.569 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2C[NH2+]CC[C@@H]2C)N2CCCC2)cc1 ZINC000422835894 296341972 /nfs/dbraw/zinc/34/19/72/296341972.db2.gz ZFBUJFPQEJLEIL-WDSOQIARSA-N 1 3 301.478 2.720 20 0 DFADHO CCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1(CC)CC ZINC000422837788 296342138 /nfs/dbraw/zinc/34/21/38/296342138.db2.gz MUAUERGWBZCUCO-OBVSXPTNSA-N 1 3 324.509 2.717 20 0 DFADHO c1csc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422839589 296342483 /nfs/dbraw/zinc/34/24/83/296342483.db2.gz QTQKGDKNZSGTHX-YOEHRIQHSA-N 1 3 315.442 2.531 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)C1 ZINC000422836442 296342197 /nfs/dbraw/zinc/34/21/97/296342197.db2.gz KFOKWAHVIZHHTN-WJFTUGDTSA-N 1 3 301.478 2.942 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422843452 296343342 /nfs/dbraw/zinc/34/33/42/296343342.db2.gz IILUZTJZTHBGEZ-YJBOKZPZSA-N 1 3 324.428 2.551 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422844133 296343412 /nfs/dbraw/zinc/34/34/12/296343412.db2.gz KXKNIORKAKQINU-WOJBJXKFSA-N 1 3 315.505 2.943 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cccc(OCCCOC)c2)CC1 ZINC000347021780 285008177 /nfs/dbraw/zinc/00/81/77/285008177.db2.gz NOFFRWUJJCLKJX-UHFFFAOYSA-N 1 3 320.477 2.923 20 0 DFADHO CO[C@@H]1C[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000422849343 296344648 /nfs/dbraw/zinc/34/46/48/296344648.db2.gz LPKWRZNKFVYHCU-NOCIGQNYSA-N 1 3 316.445 2.645 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000422846393 296344031 /nfs/dbraw/zinc/34/40/31/296344031.db2.gz FJKDSWVNEAXUCH-ZTFGCOKTSA-N 1 3 320.452 2.850 20 0 DFADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422879467 296349360 /nfs/dbraw/zinc/34/93/60/296349360.db2.gz KOITUKGYGKUOCI-RHSMWYFYSA-N 1 3 303.450 2.903 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(N2CCCCC2)nc1 ZINC000422878960 296349363 /nfs/dbraw/zinc/34/93/63/296349363.db2.gz LNKKQWBNFHYSHD-SJORKVTESA-N 1 3 302.466 2.679 20 0 DFADHO C[C@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)CN1Cc1ccccc1 ZINC000422875574 296348836 /nfs/dbraw/zinc/34/88/36/296348836.db2.gz PFRLDJJEACABJC-NEPXVJNWSA-N 1 3 301.478 2.627 20 0 DFADHO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]C2CCNCC2)C1 ZINC000422883887 296350178 /nfs/dbraw/zinc/35/01/78/296350178.db2.gz VWMMYVSLCQJOFB-AWEZNQCLSA-N 1 3 307.869 2.816 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])N2CCCC2)o1 ZINC000422885383 296350466 /nfs/dbraw/zinc/35/04/66/296350466.db2.gz YLRDWUNRFZGZJB-BBWFWOEESA-N 1 3 305.466 2.975 20 0 DFADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCCCC[C@@H]2N)N2CCCC2)o1 ZINC000422885383 296350468 /nfs/dbraw/zinc/35/04/68/296350468.db2.gz YLRDWUNRFZGZJB-BBWFWOEESA-N 1 3 305.466 2.975 20 0 DFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC[C@H]1CCCS1 ZINC000422881800 296349825 /nfs/dbraw/zinc/34/98/25/296349825.db2.gz ZBRFKPZPECTCML-UKPHBRMFSA-N 1 3 304.459 2.728 20 0 DFADHO COc1cc(OC)c(CCN[C@@H]2CCCCC[C@H]2[NH3+])c(OC)c1 ZINC000422886826 296350988 /nfs/dbraw/zinc/35/09/88/296350988.db2.gz JSRPFHXQGXGBPM-HZPDHXFCSA-N 1 3 322.449 2.505 20 0 DFADHO C[C@H](CN(CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)CO)c1ccccc1 ZINC000347410317 285039243 /nfs/dbraw/zinc/03/92/43/285039243.db2.gz AKHRWUIXMYXYRM-AOIWGVFYSA-N 1 3 304.478 2.957 20 0 DFADHO C[C@H](CN(CC[C@@H]1CCC[N@H+]1C)[C@@H](C)CO)c1ccccc1 ZINC000347410317 285039246 /nfs/dbraw/zinc/03/92/46/285039246.db2.gz AKHRWUIXMYXYRM-AOIWGVFYSA-N 1 3 304.478 2.957 20 0 DFADHO Cc1nc(C)c(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)s1 ZINC000422889432 296351299 /nfs/dbraw/zinc/35/12/99/296351299.db2.gz PNHPCECHSOEJRE-JTQLQIEISA-N 1 3 304.463 2.815 20 0 DFADHO COC1CCN(C(C)(C)CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422891290 296351517 /nfs/dbraw/zinc/35/15/17/296351517.db2.gz VBYRXTPMEFXNIG-MSOLQXFVSA-N 1 3 317.477 2.610 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1F ZINC000422899836 296352661 /nfs/dbraw/zinc/35/26/61/296352661.db2.gz IHECPJKQUJLGSC-GOEBONIOSA-N 1 3 302.397 2.537 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccnc(N2CCCCC2)c1 ZINC000422900193 296352873 /nfs/dbraw/zinc/35/28/73/296352873.db2.gz QBONPZYGMNYKEW-IAGOWNOFSA-N 1 3 302.466 2.679 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422901252 296352989 /nfs/dbraw/zinc/35/29/89/296352989.db2.gz RSSPATGPTFGVPQ-MPGHIAIKSA-N 1 3 305.441 2.759 20 0 DFADHO CC[C@@H](NCc1cccc(OCCN(C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000422905810 296354173 /nfs/dbraw/zinc/35/41/73/296354173.db2.gz ZLRAXDMVISKDNG-MOPGFXCFSA-N 1 3 319.493 2.637 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000422906548 296354345 /nfs/dbraw/zinc/35/43/45/296354345.db2.gz KFEIXVUJDROQTH-SCRDCRAPSA-N 1 3 311.857 2.643 20 0 DFADHO CC[C@@H](Nc1cccc(OCCN(C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422909609 296354498 /nfs/dbraw/zinc/35/44/98/296354498.db2.gz GLPNAFCRMBEYKY-QZTJIDSGSA-N 1 3 305.466 2.960 20 0 DFADHO c1c2ccccc2oc1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422919950 296355803 /nfs/dbraw/zinc/35/58/03/296355803.db2.gz LEBFMWRYAZLYSG-KZNAEPCWSA-N 1 3 314.429 2.722 20 0 DFADHO CSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CCOCC1 ZINC000422923648 296355937 /nfs/dbraw/zinc/35/59/37/296355937.db2.gz SHOUVUMRQWAFHU-BZUAXINKSA-N 1 3 312.523 2.799 20 0 DFADHO Cc1csc(CCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422911683 296354930 /nfs/dbraw/zinc/35/49/30/296354930.db2.gz UFBKIJOQYYICHE-OWCLPIDISA-N 1 3 323.506 2.521 20 0 DFADHO C[C@H](CCCC[NH3+])N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000422927432 296356616 /nfs/dbraw/zinc/35/66/16/296356616.db2.gz YUPUXVWKTTUXNU-DOMZBBRYSA-N 1 3 309.841 2.552 20 0 DFADHO Clc1ccc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000422927988 296356324 /nfs/dbraw/zinc/35/63/24/296356324.db2.gz IESVCUCZBVGQRC-KFWWJZLASA-N 1 3 309.841 2.624 20 0 DFADHO C[C@H](NCCOc1cccc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000422939231 296358301 /nfs/dbraw/zinc/35/83/01/296358301.db2.gz IABBKMYIIPZWKZ-NWDGAFQWSA-N 1 3 302.340 2.672 20 0 DFADHO C[C@H]1CC[NH2+]C[C@@H]1NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000422942526 296358612 /nfs/dbraw/zinc/35/86/12/296358612.db2.gz KPHIHPOFWAVPPC-WFASDCNBSA-N 1 3 309.841 2.646 20 0 DFADHO C[C@H](C[C@H](C)N)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422934297 296357567 /nfs/dbraw/zinc/35/75/67/296357567.db2.gz CIRTVVRIVWKJDF-QWHCGFSZSA-N 1 3 318.490 2.981 20 0 DFADHO C[C@@H](Cc1ccc(F)c(Br)c1)N[C@@H](C)C1C[NH2+]C1 ZINC000422945821 296359159 /nfs/dbraw/zinc/35/91/59/296359159.db2.gz VHHWEVHZVZXAKS-UWVGGRQHSA-N 1 3 315.230 2.717 20 0 DFADHO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H](C)C1CNC1 ZINC000422945821 296359160 /nfs/dbraw/zinc/35/91/60/296359160.db2.gz VHHWEVHZVZXAKS-UWVGGRQHSA-N 1 3 315.230 2.717 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1cccc(Cl)c1Cl ZINC000422950113 296359783 /nfs/dbraw/zinc/35/97/83/296359783.db2.gz VHSOEYXOAFAEKK-SUHUHFCYSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422950113 296359784 /nfs/dbraw/zinc/35/97/84/296359784.db2.gz VHSOEYXOAFAEKK-SUHUHFCYSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCCCc1nc(-c2ccncc2)cs1 ZINC000422956963 296360635 /nfs/dbraw/zinc/36/06/35/296360635.db2.gz RSPWDLZVGUGDSA-CHWSQXEVSA-N 1 3 304.463 2.853 20 0 DFADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422956963 296360638 /nfs/dbraw/zinc/36/06/38/296360638.db2.gz RSPWDLZVGUGDSA-CHWSQXEVSA-N 1 3 304.463 2.853 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000422956240 296360796 /nfs/dbraw/zinc/36/07/96/296360796.db2.gz OVHVXRLDYBLMSP-RDJZCZTQSA-N 1 3 313.445 2.981 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCCOc1cccc2cccnc21 ZINC000422956240 296360797 /nfs/dbraw/zinc/36/07/97/296360797.db2.gz OVHVXRLDYBLMSP-RDJZCZTQSA-N 1 3 313.445 2.981 20 0 DFADHO C[C@@H](Nc1cccc(CN2CCSCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000422957652 296360952 /nfs/dbraw/zinc/36/09/52/296360952.db2.gz USUJLBKAXLEJLN-GDBMZVCRSA-N 1 3 305.491 2.645 20 0 DFADHO CC[C@H](C)C(=O)Nc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422951595 296360087 /nfs/dbraw/zinc/36/00/87/296360087.db2.gz ZFMNTCDOHQPPSN-JLJPHGGASA-N 1 3 303.450 2.888 20 0 DFADHO C[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CCCCO1 ZINC000624006409 399520961 /nfs/dbraw/zinc/52/09/61/399520961.db2.gz VZPWPCGMMDSHHA-WZGPROSRSA-N 1 3 302.462 2.879 20 0 DFADHO C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCCCO1 ZINC000624006409 399520963 /nfs/dbraw/zinc/52/09/63/399520963.db2.gz VZPWPCGMMDSHHA-WZGPROSRSA-N 1 3 302.462 2.879 20 0 DFADHO CC[C@H](C)C(=O)Nc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422951597 296360137 /nfs/dbraw/zinc/36/01/37/296360137.db2.gz ZFMNTCDOHQPPSN-QRTARXTBSA-N 1 3 303.450 2.888 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(COC2CCOCC2)cc1 ZINC000422960075 296361245 /nfs/dbraw/zinc/36/12/45/296361245.db2.gz AQCARWWQMARYFI-CABCVRRESA-N 1 3 306.450 2.598 20 0 DFADHO Oc1ccccc1CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422975737 296363269 /nfs/dbraw/zinc/36/32/69/296363269.db2.gz UAOMGIKCRWGBME-YLJYHZDGSA-N 1 3 324.424 2.780 20 0 DFADHO C[C@@H](CCCC[NH3+])Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422980324 296363655 /nfs/dbraw/zinc/36/36/55/296363655.db2.gz LMXMKXXHMJRVTB-INIZCTEOSA-N 1 3 319.493 2.820 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(F)c(Cl)c2)CC1 ZINC000270151288 208213560 /nfs/dbraw/zinc/21/35/60/208213560.db2.gz SEKNPLCAYAZKGS-UHFFFAOYSA-N 1 3 314.832 2.804 20 0 DFADHO c1ccc(CC2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422993823 296364984 /nfs/dbraw/zinc/36/49/84/296364984.db2.gz GKGOXIBGHIPXEJ-GUDVDZBRSA-N 1 3 314.473 2.756 20 0 DFADHO N[C@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422992922 296365013 /nfs/dbraw/zinc/36/50/13/296365013.db2.gz SBUKHIDXVAEYCQ-STQMWFEESA-N 1 3 317.355 2.729 20 0 DFADHO c1nc(C2CC2)ncc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423008461 296367054 /nfs/dbraw/zinc/36/70/54/296367054.db2.gz AJIVELHKDFROLH-FGTMMUONSA-N 1 3 314.477 2.797 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000423006613 296366672 /nfs/dbraw/zinc/36/66/72/296366672.db2.gz WBBVGHIGZOXXDN-RHSMWYFYSA-N 1 3 304.482 2.620 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000423006613 296366674 /nfs/dbraw/zinc/36/66/74/296366674.db2.gz WBBVGHIGZOXXDN-RHSMWYFYSA-N 1 3 304.482 2.620 20 0 DFADHO CC[C@H]([NH2+]CCNc1cc(OC)cc(OC)c1)[C@H]1CCCCN1 ZINC000423007481 296366788 /nfs/dbraw/zinc/36/67/88/296366788.db2.gz XUEGRKNOCNKROV-ZWKOTPCHSA-N 1 3 321.465 2.626 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000423014874 296367658 /nfs/dbraw/zinc/36/76/58/296367658.db2.gz PZEIKWGGXFHQRD-NWDGAFQWSA-N 1 3 317.355 2.586 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@H]1CCCOc2c(Cl)cccc21 ZINC000423026022 296369092 /nfs/dbraw/zinc/36/90/92/296369092.db2.gz MTDUUXZMODDLET-WFASDCNBSA-N 1 3 312.841 2.897 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000423026020 296369224 /nfs/dbraw/zinc/36/92/24/296369224.db2.gz MTDUUXZMODDLET-IUODEOHRSA-N 1 3 312.841 2.897 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)[C@H]1CCCCN1 ZINC000423018340 296368434 /nfs/dbraw/zinc/36/84/34/296368434.db2.gz YOYLKJLXUOWGTK-HLLBOEOZSA-N 1 3 305.441 2.915 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H](C)[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000423033511 296370238 /nfs/dbraw/zinc/37/02/38/296370238.db2.gz WZBYTXNAZQUTLR-IAGOWNOFSA-N 1 3 316.493 2.627 20 0 DFADHO CS[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000423031987 296369965 /nfs/dbraw/zinc/36/99/65/296369965.db2.gz LYWUFUDZGWWWMY-KBUPBQIOSA-N 1 3 300.512 2.511 20 0 DFADHO O[C@H](CCc1ccccc1)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423038251 296370672 /nfs/dbraw/zinc/37/06/72/296370672.db2.gz YAJHOVZZUSSMSP-YSTOQKLRSA-N 1 3 316.489 2.881 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423047836 296371702 /nfs/dbraw/zinc/37/17/02/296371702.db2.gz HGJWQSDRVYSADN-DXCKQFNASA-N 1 3 312.404 2.629 20 0 DFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423053074 296372279 /nfs/dbraw/zinc/37/22/79/296372279.db2.gz RZRALHZIDPUAQX-QXAKKESOSA-N 1 3 303.494 2.873 20 0 DFADHO COc1ccc([C@@H](NCC2(N(C)C)CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423053868 296372342 /nfs/dbraw/zinc/37/23/42/296372342.db2.gz BEALIVQJIDJTHN-QZTJIDSGSA-N 1 3 317.477 2.562 20 0 DFADHO CCOC(=O)C(CC)(CC)CNC1CC[NH+](CC2CC2)CC1 ZINC000602736433 399549135 /nfs/dbraw/zinc/54/91/35/399549135.db2.gz XFQBOUHBLIQEFB-UHFFFAOYSA-N 1 3 310.482 2.820 20 0 DFADHO C[C@H](CCCC[NH3+])N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000423057723 296373087 /nfs/dbraw/zinc/37/30/87/296373087.db2.gz ZUIGLKSOBGDCEP-CXAGYDPISA-N 1 3 304.413 2.756 20 0 DFADHO C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCCCN1C1CC1 ZINC000423075252 296375406 /nfs/dbraw/zinc/37/54/06/296375406.db2.gz OCNHKTWDAPMVQM-INDMIFKZSA-N 1 3 305.510 2.904 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000423080607 296376126 /nfs/dbraw/zinc/37/61/26/296376126.db2.gz ZOUQEFWXPLGXJM-SNRMKQJTSA-N 1 3 301.478 2.551 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CCCCN1C1CC1 ZINC000423080607 296376127 /nfs/dbraw/zinc/37/61/27/296376127.db2.gz ZOUQEFWXPLGXJM-SNRMKQJTSA-N 1 3 301.478 2.551 20 0 DFADHO Cc1cccc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423087016 296376631 /nfs/dbraw/zinc/37/66/31/296376631.db2.gz OPJOTUMFVYVVPS-ICSRJNTNSA-N 1 3 323.440 2.778 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423100292 296378116 /nfs/dbraw/zinc/37/81/16/296378116.db2.gz VBAUKSBFAGKZEZ-SDLYDOBQSA-N 1 3 310.388 2.553 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423100292 296378118 /nfs/dbraw/zinc/37/81/18/296378118.db2.gz VBAUKSBFAGKZEZ-SDLYDOBQSA-N 1 3 310.388 2.553 20 0 DFADHO CC(C)c1ccc(O[C@H](C)CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000423102259 296378607 /nfs/dbraw/zinc/37/86/07/296378607.db2.gz DSRZYEILKMSELQ-LVFSCSRESA-N 1 3 320.477 2.919 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@](C)(CO)c1ccccc1 ZINC000423108714 296379183 /nfs/dbraw/zinc/37/91/83/296379183.db2.gz MNUVKIIQNVRYBY-NZSAHSFTSA-N 1 3 304.478 2.837 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121624 399560796 /nfs/dbraw/zinc/56/07/96/399560796.db2.gz ZCCQZLYNLLSNEA-IAGOWNOFSA-N 1 3 317.477 2.750 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121624 399560802 /nfs/dbraw/zinc/56/08/02/399560802.db2.gz ZCCQZLYNLLSNEA-IAGOWNOFSA-N 1 3 317.477 2.750 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121624 399560806 /nfs/dbraw/zinc/56/08/06/399560806.db2.gz ZCCQZLYNLLSNEA-IAGOWNOFSA-N 1 3 317.477 2.750 20 0 DFADHO C[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000624122943 399561080 /nfs/dbraw/zinc/56/10/80/399561080.db2.gz BKEQVISOGSGNGC-JKSUJKDBSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000624122943 399561083 /nfs/dbraw/zinc/56/10/83/399561083.db2.gz BKEQVISOGSGNGC-JKSUJKDBSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(-n2ccnn2)c1 ZINC000624122943 399561088 /nfs/dbraw/zinc/56/10/88/399561088.db2.gz BKEQVISOGSGNGC-JKSUJKDBSA-N 1 3 313.449 2.650 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000624123954 399562426 /nfs/dbraw/zinc/56/24/26/399562426.db2.gz UPSNWPZTDSPNIF-ZACQAIPSSA-N 1 3 304.482 2.768 20 0 DFADHO CC(C)Oc1ccc([C@@H](CN[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000423121513 296381009 /nfs/dbraw/zinc/38/10/09/296381009.db2.gz IPNLHDZSFLOSDZ-IEBWSBKVSA-N 1 3 319.493 2.808 20 0 DFADHO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)c(C)c1 ZINC000423124365 296381609 /nfs/dbraw/zinc/38/16/09/296381609.db2.gz GIHZXVVHHXWHAZ-XYJFISCASA-N 1 3 304.478 2.923 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](CO)C1CCCCC1 ZINC000423129540 296381986 /nfs/dbraw/zinc/38/19/86/296381986.db2.gz FFMCFMZQKXDJQX-IPELMVKDSA-N 1 3 304.478 2.723 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423126740 296382020 /nfs/dbraw/zinc/38/20/20/296382020.db2.gz ORHURUGWZCQTPC-PAYONLEZSA-N 1 3 322.880 2.926 20 0 DFADHO COc1ncccc1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423141807 296383955 /nfs/dbraw/zinc/38/39/55/296383955.db2.gz RWEZYPVAMYOUPQ-GVDBMIGSSA-N 1 3 303.450 2.533 20 0 DFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000624133266 399566196 /nfs/dbraw/zinc/56/61/96/399566196.db2.gz KDMMTHRJXCCDFX-CTYIDZIISA-N 1 3 309.498 2.519 20 0 DFADHO CC(C)(C)CC(C)(C)N1CCC([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000624133266 399566199 /nfs/dbraw/zinc/56/61/99/399566199.db2.gz KDMMTHRJXCCDFX-CTYIDZIISA-N 1 3 309.498 2.519 20 0 DFADHO CCC[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)OC ZINC000423148322 296385108 /nfs/dbraw/zinc/38/51/08/296385108.db2.gz VAIIKPIKPFHTJM-KYJSFNMBSA-N 1 3 304.434 2.647 20 0 DFADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1cccc(F)c1 ZINC000423149100 296385385 /nfs/dbraw/zinc/38/53/85/296385385.db2.gz WZMXXDFMVGMENS-INDMIFKZSA-N 1 3 320.452 2.630 20 0 DFADHO Cc1ccc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000423160980 296386508 /nfs/dbraw/zinc/38/65/08/296386508.db2.gz IGBWUOKJOUIKDR-AZUAARDMSA-N 1 3 323.440 2.778 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423172355 296387943 /nfs/dbraw/zinc/38/79/43/296387943.db2.gz SLOKGHGKPPHIHF-PFPDTZPXSA-N 1 3 302.462 2.768 20 0 DFADHO C[C@H](NCC1([NH3+])CCCCC1)c1cccc(OCCN(C)C)c1 ZINC000423180057 296389035 /nfs/dbraw/zinc/38/90/35/296389035.db2.gz NIYXOBFZCCRBNU-INIZCTEOSA-N 1 3 319.493 2.939 20 0 DFADHO C[C@H](NCCC[NH3+])c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423176652 296388547 /nfs/dbraw/zinc/38/85/47/296388547.db2.gz HQJLABBGUSMEBU-HNNXBMFYSA-N 1 3 324.428 2.913 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CC2(N)CCCCC2)CN1Cc1ccccc1 ZINC000423183449 296389770 /nfs/dbraw/zinc/38/97/70/296389770.db2.gz RXXXJHTXHWOAGO-SJLPKXTDSA-N 1 3 301.478 2.901 20 0 DFADHO C[C@@H]1C[C@@H](NCC2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC000423183449 296389771 /nfs/dbraw/zinc/38/97/71/296389771.db2.gz RXXXJHTXHWOAGO-SJLPKXTDSA-N 1 3 301.478 2.901 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C[C@H](C)O ZINC000157591289 197199858 /nfs/dbraw/zinc/19/98/58/197199858.db2.gz QEABYMIPAOKDKQ-PMPSAXMXSA-N 1 3 308.466 2.685 20 0 DFADHO C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1Cc1ccccc1 ZINC000423209506 296392882 /nfs/dbraw/zinc/39/28/82/296392882.db2.gz GHYGYJQJNQIVPN-QBAGFEOCSA-N 1 3 313.489 2.912 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NCC[C@@H](C)[NH3+])cc1 ZINC000423226124 296394334 /nfs/dbraw/zinc/39/43/34/296394334.db2.gz PMSCPBOFSGMRHL-ZIAGYGMSSA-N 1 3 306.454 2.948 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])c2ccccc21 ZINC000423271790 296399279 /nfs/dbraw/zinc/39/92/79/296399279.db2.gz JJIPLMOOCODLDG-LIRZEXBASA-N 1 3 316.445 2.885 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CN)c2ccccc21 ZINC000423271790 296399280 /nfs/dbraw/zinc/39/92/80/296399280.db2.gz JJIPLMOOCODLDG-LIRZEXBASA-N 1 3 316.445 2.885 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@@H](C)Cc1ccc(F)cc1Br ZINC000423270711 296399291 /nfs/dbraw/zinc/39/92/91/296399291.db2.gz IDKDIQMYZSDRKP-QWRGUYRKSA-N 1 3 317.246 2.964 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@H](C)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423278027 296399779 /nfs/dbraw/zinc/39/97/79/296399779.db2.gz QJMDCBGVNJPYHZ-QRTARXTBSA-N 1 3 318.465 2.995 20 0 DFADHO CC[NH+]1CCC(N[C@@H](C)[C@@H](OC)c2ccc(OC)cc2)CC1 ZINC000271655219 209099403 /nfs/dbraw/zinc/09/94/03/209099403.db2.gz CEWTWDVZUWOIAK-KBXCAEBGSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@H](CN)C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423299306 296401909 /nfs/dbraw/zinc/40/19/09/296401909.db2.gz BRNKLDYFDQJSPM-ABAIWWIYSA-N 1 3 311.267 2.955 20 0 DFADHO C[N@H+](CC1CC1)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000156185665 197093793 /nfs/dbraw/zinc/09/37/93/197093793.db2.gz QXMPRCKKXNGTCD-IBGZPJMESA-N 1 3 302.462 2.774 20 0 DFADHO C[N@@H+](CC1CC1)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000156185665 197093795 /nfs/dbraw/zinc/09/37/95/197093795.db2.gz QXMPRCKKXNGTCD-IBGZPJMESA-N 1 3 302.462 2.774 20 0 DFADHO C[C@@H](NCC1(C)CC[NH2+]CC1)c1ncc(Br)s1 ZINC000423316332 296403194 /nfs/dbraw/zinc/40/31/94/296403194.db2.gz AMDZDVQMGGGQCI-SECBINFHSA-N 1 3 318.284 2.946 20 0 DFADHO CC1CC[NH+](Cc2ccc(NC(=O)[C@H](N)C3CCC3)cc2)CC1 ZINC000423326635 296404830 /nfs/dbraw/zinc/40/48/30/296404830.db2.gz JKYNTZRQYLRNJQ-GOSISDBHSA-N 1 3 315.461 2.984 20 0 DFADHO CC[NH+](CC)CCCCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423330362 296405126 /nfs/dbraw/zinc/40/51/26/296405126.db2.gz NPRWYCIQNBFSHT-QGZVFWFLSA-N 1 3 319.493 2.951 20 0 DFADHO CC[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc2c(c1)OCCO2 ZINC000271652714 209096868 /nfs/dbraw/zinc/09/68/68/209096868.db2.gz IMTLVHGBLIRRND-CVEARBPZSA-N 1 3 304.434 2.983 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CCCNC2)C1 ZINC000423347506 296407180 /nfs/dbraw/zinc/40/71/80/296407180.db2.gz RLPZTYRQRQJSOX-BQFCYCMXSA-N 1 3 310.482 2.868 20 0 DFADHO C[C@H](Cc1cnccn1)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347900295 285232743 /nfs/dbraw/zinc/23/27/43/285232743.db2.gz JMLQZCYXZDJIBR-ZHALLVOQSA-N 1 3 324.472 2.908 20 0 DFADHO C[C@H](Cc1cnccn1)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347900295 285232745 /nfs/dbraw/zinc/23/27/45/285232745.db2.gz JMLQZCYXZDJIBR-ZHALLVOQSA-N 1 3 324.472 2.908 20 0 DFADHO COc1cc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc(OC)c1OC ZINC000423388335 296411546 /nfs/dbraw/zinc/41/15/46/296411546.db2.gz NJUSUNLJNCQDRS-IACUBPJLSA-N 1 3 308.422 2.633 20 0 DFADHO CCCC[C@@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C1CCC1 ZINC000347918892 285244880 /nfs/dbraw/zinc/24/48/80/285244880.db2.gz JELCHIIPOFARGF-GOSISDBHSA-N 1 3 321.509 2.678 20 0 DFADHO CC1CCC(N2CCC([N@H+](C)CC[C@@H]3CCOC3=O)CC2)CC1 ZINC000120381601 195156175 /nfs/dbraw/zinc/15/61/75/195156175.db2.gz LIJZPSJPSNPMNH-UPTPFMHGSA-N 1 3 322.493 2.915 20 0 DFADHO CC1CCC(N2CCC([N@@H+](C)CC[C@@H]3CCOC3=O)CC2)CC1 ZINC000120381601 195156177 /nfs/dbraw/zinc/15/61/77/195156177.db2.gz LIJZPSJPSNPMNH-UPTPFMHGSA-N 1 3 322.493 2.915 20 0 DFADHO COc1ncc([C@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000423447791 296417747 /nfs/dbraw/zinc/41/77/47/296417747.db2.gz UJAVNVYHDGUFNZ-VZJVUDMVSA-N 1 3 309.841 2.782 20 0 DFADHO Cn1cc([C@@H](NCCC2=CC[NH2+]CC2)c2cccc(F)c2)cn1 ZINC000423543198 296428508 /nfs/dbraw/zinc/42/85/08/296428508.db2.gz UQRIRYZSBSNTBD-SFHVURJKSA-N 1 3 314.408 2.548 20 0 DFADHO C[C@H]([NH2+]Cc1ccc[nH]c1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000624259649 399619216 /nfs/dbraw/zinc/61/92/16/399619216.db2.gz SDAXIEUHMNEYIQ-YJBOKZPZSA-N 1 3 311.429 2.787 20 0 DFADHO CCC[C@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)N(C)C ZINC000423612802 296433755 /nfs/dbraw/zinc/43/37/55/296433755.db2.gz OQXUKCFTGFVGAG-QZTJIDSGSA-N 1 3 313.445 2.686 20 0 DFADHO CC(C)[C@H]1CN(Cc2ccccc2)CCN1C[C@H]1CCC[N@@H+]1C ZINC000625728543 399626148 /nfs/dbraw/zinc/62/61/48/399626148.db2.gz XHMLWBVAOGPNBL-WOJBJXKFSA-N 1 3 315.505 2.923 20 0 DFADHO CC(C)[C@H]1CN(Cc2ccccc2)CCN1C[C@H]1CCC[N@H+]1C ZINC000625728543 399626149 /nfs/dbraw/zinc/62/61/49/399626149.db2.gz XHMLWBVAOGPNBL-WOJBJXKFSA-N 1 3 315.505 2.923 20 0 DFADHO CC(C)[C@H]1CN(Cc2ccccc2)CC[N@@H+]1C[C@H]1CCCN1C ZINC000625728543 399626151 /nfs/dbraw/zinc/62/61/51/399626151.db2.gz XHMLWBVAOGPNBL-WOJBJXKFSA-N 1 3 315.505 2.923 20 0 DFADHO CC(C)[C@H]1CN(Cc2ccccc2)CC[N@H+]1C[C@H]1CCCN1C ZINC000625728543 399626153 /nfs/dbraw/zinc/62/61/53/399626153.db2.gz XHMLWBVAOGPNBL-WOJBJXKFSA-N 1 3 315.505 2.923 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629513626 399630462 /nfs/dbraw/zinc/63/04/62/399630462.db2.gz MGENIVSFXVIGAT-ACJLOTCBSA-N 1 3 311.429 2.641 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629512929 399630526 /nfs/dbraw/zinc/63/05/26/399630526.db2.gz CZOGNTZJCADSGI-WBQNTZJQSA-N 1 3 324.852 2.545 20 0 DFADHO c1ccc2c(c1)CO[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000629513050 399630855 /nfs/dbraw/zinc/63/08/55/399630855.db2.gz JZLGXKBHTACRGO-ZSYWTGECSA-N 1 3 300.446 2.638 20 0 DFADHO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000624309007 399633790 /nfs/dbraw/zinc/63/37/90/399633790.db2.gz BIIUAEAWMBIQSA-RLFYNMQTSA-N 1 3 306.450 2.703 20 0 DFADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(Br)cc1 ZINC000629525238 399635342 /nfs/dbraw/zinc/63/53/42/399635342.db2.gz YYIBSLXDQLSUOC-LLVKDONJSA-N 1 3 313.239 2.608 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1ccsc1 ZINC000289902469 221304349 /nfs/dbraw/zinc/30/43/49/221304349.db2.gz MZJUZIVBWAAVRA-BMFZPTHFSA-N 1 3 323.506 2.635 20 0 DFADHO C[NH2+]CCOCCN[C@H]1CCSc2ccc(Cl)cc21 ZINC000629528889 399636573 /nfs/dbraw/zinc/63/65/73/399636573.db2.gz MJQIYKDFDGKHKA-ZDUSSCGKSA-N 1 3 300.855 2.703 20 0 DFADHO C[NH2+]CCOCCN[C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000629529911 399637283 /nfs/dbraw/zinc/63/72/83/399637283.db2.gz QGWGBWUCNRFNTD-CYBMUJFWSA-N 1 3 303.233 2.806 20 0 DFADHO C[C@@H](NCCOCCC[NH3+])c1ccccc1OC(F)(F)F ZINC000629534461 399639299 /nfs/dbraw/zinc/63/92/99/399639299.db2.gz AIZOQSRFXFOPFW-LLVKDONJSA-N 1 3 306.328 2.601 20 0 DFADHO CC(C)c1ccc2c(c1)[C@H](NCCOCCC[NH3+])CCCO2 ZINC000629537632 399640092 /nfs/dbraw/zinc/64/00/92/399640092.db2.gz KIDRUBZKXNEKER-QGZVFWFLSA-N 1 3 306.450 2.979 20 0 DFADHO COc1ccc2cc([C@H](C)NCCOCCC[NH3+])ccc2c1 ZINC000629537404 399640097 /nfs/dbraw/zinc/64/00/97/399640097.db2.gz HSLYEJYWKZGPQI-AWEZNQCLSA-N 1 3 302.418 2.864 20 0 DFADHO C[C@H](NCCOCCC[NH3+])c1ccc(Br)s1 ZINC000629540233 399639921 /nfs/dbraw/zinc/63/99/21/399639921.db2.gz ODHGZPLBIZGTBR-VIFPVBQESA-N 1 3 307.257 2.527 20 0 DFADHO [NH3+]CCCOCCN[C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000629541905 399641530 /nfs/dbraw/zinc/64/15/30/399641530.db2.gz SZXLEWORBVVCTQ-AWEZNQCLSA-N 1 3 318.339 2.528 20 0 DFADHO C[NH2+]CCOCCN(C)CCOc1cc(Cl)ccc1Cl ZINC000629567480 399652640 /nfs/dbraw/zinc/65/26/40/399652640.db2.gz FESSPEDQDDOEAA-UHFFFAOYSA-N 1 3 321.248 2.540 20 0 DFADHO Fc1cc(Cl)ccc1N1CC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000629547480 399644165 /nfs/dbraw/zinc/64/41/65/399644165.db2.gz TUSFMGWAWQIPLU-ZIAGYGMSSA-N 1 3 311.832 2.790 20 0 DFADHO CC(C)CC[C@@H]1CC[C@@H](NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000629549739 399645678 /nfs/dbraw/zinc/64/56/78/399645678.db2.gz LHAQFLOMLWURJR-BFYDXBDKSA-N 1 3 305.470 2.507 20 0 DFADHO CC(C)c1ccc(CCCNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629564450 399650624 /nfs/dbraw/zinc/65/06/24/399650624.db2.gz KVOORTHIQGLTJT-LJQANCHMSA-N 1 3 304.478 2.789 20 0 DFADHO CN(CCOCC[NH3+])Cc1ccc(Br)c(Cl)c1 ZINC000629661456 399680197 /nfs/dbraw/zinc/68/01/97/399680197.db2.gz BPVZSDUFYKEERP-UHFFFAOYSA-N 1 3 321.646 2.510 20 0 DFADHO C[NH2+]CCn1cc(-c2cc(CN3CCCC3)ccc2F)cn1 ZINC000629702868 399695296 /nfs/dbraw/zinc/69/52/96/399695296.db2.gz VJGBTLUTSHKIOA-UHFFFAOYSA-N 1 3 302.397 2.504 20 0 DFADHO C[NH2+]CCOCCN(C)Cc1ccc(OC)c2ccccc12 ZINC000629652627 399676151 /nfs/dbraw/zinc/67/61/51/399676151.db2.gz KEIVYRBXDDWYGZ-UHFFFAOYSA-N 1 3 302.418 2.516 20 0 DFADHO C[NH2+]CCOCCN(C)Cc1ccc(C(F)(F)F)cc1C ZINC000629653726 399676476 /nfs/dbraw/zinc/67/64/76/399676476.db2.gz MMJJICHOSNXTOA-UHFFFAOYSA-N 1 3 304.356 2.682 20 0 DFADHO C[C@H](CNCC1([NH3+])CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000629653470 399676530 /nfs/dbraw/zinc/67/65/30/399676530.db2.gz ICRMMSOWICTAHB-GFCCVEGCSA-N 1 3 316.367 2.906 20 0 DFADHO C[C@H]([NH3+])Cc1ccc(-c2ccccc2CN2CCN(C)CC2)cc1 ZINC000629734918 399707972 /nfs/dbraw/zinc/70/79/72/399707972.db2.gz AJFVTRUETVXYTP-KRWDZBQOSA-N 1 3 323.484 2.991 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC000617502595 399719275 /nfs/dbraw/zinc/71/92/75/399719275.db2.gz VOYSDNQAUQXONA-JQHSSLGASA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC000617502595 399719278 /nfs/dbraw/zinc/71/92/78/399719278.db2.gz VOYSDNQAUQXONA-JQHSSLGASA-N 1 3 323.525 2.591 20 0 DFADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1 ZINC000617504536 399720727 /nfs/dbraw/zinc/72/07/27/399720727.db2.gz ZZWMOBOBKNGGDO-WMZOPIPTSA-N 1 3 319.493 2.568 20 0 DFADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1 ZINC000617504536 399720729 /nfs/dbraw/zinc/72/07/29/399720729.db2.gz ZZWMOBOBKNGGDO-WMZOPIPTSA-N 1 3 319.493 2.568 20 0 DFADHO CN(C)Cc1ccc(-c2noc(CC[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000621246211 399732175 /nfs/dbraw/zinc/73/21/75/399732175.db2.gz QZPODXHYYFNKEW-CQSZACIVSA-N 1 3 314.433 2.730 20 0 DFADHO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000348104015 285351764 /nfs/dbraw/zinc/35/17/64/285351764.db2.gz NHYRUNKAVAAACL-RTBURBONSA-N 1 3 301.478 2.712 20 0 DFADHO CC(C)CN(C(=O)CN1CCC(CC[NH+](C)C)CC1)C(C)C ZINC000121641424 195322354 /nfs/dbraw/zinc/32/23/54/195322354.db2.gz RSKPPJQXDSNYMQ-UHFFFAOYSA-N 1 3 311.514 2.543 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000423778318 296446833 /nfs/dbraw/zinc/44/68/33/296446833.db2.gz CRNPVEBUSMHQTQ-WBVHZDCISA-N 1 3 303.450 2.903 20 0 DFADHO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000348124685 285365945 /nfs/dbraw/zinc/36/59/45/285365945.db2.gz NLFJVMWZJXTCDZ-HKUYNNGSSA-N 1 3 302.462 2.922 20 0 DFADHO CC[N@H+](CCn1ccnc1C)Cc1ccc(CN(C)C)cc1 ZINC000626063107 399741324 /nfs/dbraw/zinc/74/13/24/399741324.db2.gz REAYFUPELCOSJZ-UHFFFAOYSA-N 1 3 300.450 2.775 20 0 DFADHO CC[N@@H+](CCn1ccnc1C)Cc1ccc(CN(C)C)cc1 ZINC000626063107 399741328 /nfs/dbraw/zinc/74/13/28/399741328.db2.gz REAYFUPELCOSJZ-UHFFFAOYSA-N 1 3 300.450 2.775 20 0 DFADHO CCCN1CCC([NH2+]CCN2CCc3ccccc3C2)CC1 ZINC000121725496 542586262 /nfs/dbraw/zinc/58/62/62/542586262.db2.gz JYMQMTWHNHJQRB-UHFFFAOYSA-N 1 3 301.478 2.509 20 0 DFADHO CCC[NH+]1CCC(NCCN2CCc3ccccc3C2)CC1 ZINC000121725496 542586264 /nfs/dbraw/zinc/58/62/64/542586264.db2.gz JYMQMTWHNHJQRB-UHFFFAOYSA-N 1 3 301.478 2.509 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)CN(C)C1CCC1 ZINC000629944241 399761158 /nfs/dbraw/zinc/76/11/58/399761158.db2.gz LLVOUIHIVFCAMH-UHFFFAOYSA-N 1 3 317.477 2.629 20 0 DFADHO CCCN1CCC([NH2+][C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000128820547 542620914 /nfs/dbraw/zinc/62/09/14/542620914.db2.gz JEPIWDODQAKPLL-LJQANCHMSA-N 1 3 303.494 2.623 20 0 DFADHO CCC[NH+]1CCC(N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000128820547 542620916 /nfs/dbraw/zinc/62/09/16/542620916.db2.gz JEPIWDODQAKPLL-LJQANCHMSA-N 1 3 303.494 2.623 20 0 DFADHO CCc1ccccc1[C@H](N)CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000423990353 296472456 /nfs/dbraw/zinc/47/24/56/296472456.db2.gz ZEAJIPWDVIMLGE-RCCFBDPRSA-N 1 3 317.477 2.663 20 0 DFADHO Cc1nc2ccccc2n1CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000165984710 542749848 /nfs/dbraw/zinc/74/98/48/542749848.db2.gz ZWVREICJEOJFQJ-IAGOWNOFSA-N 1 3 312.461 2.951 20 0 DFADHO Cc1nc2ccccc2n1CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000165984710 542749852 /nfs/dbraw/zinc/74/98/52/542749852.db2.gz ZWVREICJEOJFQJ-IAGOWNOFSA-N 1 3 312.461 2.951 20 0 DFADHO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000165984710 542749855 /nfs/dbraw/zinc/74/98/55/542749855.db2.gz ZWVREICJEOJFQJ-IAGOWNOFSA-N 1 3 312.461 2.951 20 0 DFADHO Cc1c[nH+]ccc1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000191980561 542848683 /nfs/dbraw/zinc/84/86/83/542848683.db2.gz CJVLDPJRBFCVNR-UHFFFAOYSA-N 1 3 311.429 2.959 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2c[nH]nc2C)[C@@H](C)C1 ZINC000245882436 542918108 /nfs/dbraw/zinc/91/81/08/542918108.db2.gz BGKLGOIHXNFPHI-ZQIUZPCESA-N 1 3 308.470 2.506 20 0 DFADHO CC[C@@H]1CN(CCC(=O)Nc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000251895659 542946608 /nfs/dbraw/zinc/94/66/08/542946608.db2.gz WKBNPGFBEJZMNT-IUODEOHRSA-N 1 3 309.841 2.728 20 0 DFADHO CN(CC[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261633990 542952510 /nfs/dbraw/zinc/95/25/10/542952510.db2.gz FCAUNZMTXFBYAE-QUCCMNQESA-N 1 3 309.457 2.797 20 0 DFADHO CN(CC[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261633990 542952512 /nfs/dbraw/zinc/95/25/12/542952512.db2.gz FCAUNZMTXFBYAE-QUCCMNQESA-N 1 3 309.457 2.797 20 0 DFADHO CN(CCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261633990 542952514 /nfs/dbraw/zinc/95/25/14/542952514.db2.gz FCAUNZMTXFBYAE-QUCCMNQESA-N 1 3 309.457 2.797 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000280146969 542987197 /nfs/dbraw/zinc/98/71/97/542987197.db2.gz PZRDBPIOYLCVKJ-CJNGLKHVSA-N 1 3 304.434 2.623 20 0 DFADHO CCC1(CC)[C@@H](NCc2cc(C3CC[NH2+]CC3)no2)C[C@@H]1OC ZINC000424379877 296505697 /nfs/dbraw/zinc/50/56/97/296505697.db2.gz PKFHDJJJWQCMFM-IRXDYDNUSA-N 1 3 321.465 2.825 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)N(CCN(C)C)CC(C)C)c1 ZINC000424430428 296509482 /nfs/dbraw/zinc/50/94/82/296509482.db2.gz BYJKYRKOOROSJM-UHFFFAOYSA-N 1 3 306.454 2.505 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000424446609 296510054 /nfs/dbraw/zinc/51/00/54/296510054.db2.gz RSIXBQGRTVACKE-UHFFFAOYSA-N 1 3 318.465 2.841 20 0 DFADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1cccc(Cl)c1)C2 ZINC000319602896 543079843 /nfs/dbraw/zinc/07/98/43/543079843.db2.gz KPQKYWRDBXCXDQ-GUYCJALGSA-N 1 3 321.852 2.729 20 0 DFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C2 ZINC000319602896 543079845 /nfs/dbraw/zinc/07/98/45/543079845.db2.gz KPQKYWRDBXCXDQ-GUYCJALGSA-N 1 3 321.852 2.729 20 0 DFADHO CCCN1CC[C@H]([NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000328264098 543095742 /nfs/dbraw/zinc/09/57/42/543095742.db2.gz NUVIVHHSGYSDOX-HOJAQTOUSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)C1CC[NH+](C)CC1 ZINC000604420443 399845388 /nfs/dbraw/zinc/84/53/88/399845388.db2.gz JPZISJYEUCABQE-AWEZNQCLSA-N 1 3 318.465 2.600 20 0 DFADHO COC1(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCOCC1 ZINC000368440034 292111135 /nfs/dbraw/zinc/11/11/35/292111135.db2.gz ZVMJIFBETSILFI-MSOLQXFVSA-N 1 3 324.509 2.768 20 0 DFADHO COC1(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCOCC1 ZINC000368440034 292111140 /nfs/dbraw/zinc/11/11/40/292111140.db2.gz ZVMJIFBETSILFI-MSOLQXFVSA-N 1 3 324.509 2.768 20 0 DFADHO COC1(C[N@@H+]2CCC[C@H](CN3CCCC[C@H]3C)C2)CCOCC1 ZINC000368440034 292111142 /nfs/dbraw/zinc/11/11/42/292111142.db2.gz ZVMJIFBETSILFI-MSOLQXFVSA-N 1 3 324.509 2.768 20 0 DFADHO COC1(C[N@H+]2CCC[C@H](CN3CCCC[C@H]3C)C2)CCOCC1 ZINC000368440034 292111143 /nfs/dbraw/zinc/11/11/43/292111143.db2.gz ZVMJIFBETSILFI-MSOLQXFVSA-N 1 3 324.509 2.768 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000354408100 543243731 /nfs/dbraw/zinc/24/37/31/543243731.db2.gz LHNIEBSMFPNMDZ-HSBZDZAISA-N 1 3 322.415 2.790 20 0 DFADHO CC(C)[NH+]1CCC(NC[C@@](C)(CO)Cc2ccccc2)CC1 ZINC000358054655 543265558 /nfs/dbraw/zinc/26/55/58/543265558.db2.gz LQCZMONEOAJLLS-IBGZPJMESA-N 1 3 304.478 2.690 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCN(C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381802331 543298093 /nfs/dbraw/zinc/29/80/93/543298093.db2.gz UOGITISPMPBAHK-YTQUADARSA-N 1 3 301.478 2.581 20 0 DFADHO OC1(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCN(Cc2ccccc2)CC1 ZINC000397519579 543310971 /nfs/dbraw/zinc/31/09/71/543310971.db2.gz UHZJGBACSLESOX-QYZOEREBSA-N 1 3 314.473 2.792 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)CC[N@@H+]1C ZINC000167463814 145240102 /nfs/dbraw/zinc/24/01/02/145240102.db2.gz UAVYRYWUCMWJMH-MGPQQGTHSA-N 1 3 309.404 2.616 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)CC[N@H+]1C ZINC000167463814 145240106 /nfs/dbraw/zinc/24/01/06/145240106.db2.gz UAVYRYWUCMWJMH-MGPQQGTHSA-N 1 3 309.404 2.616 20 0 DFADHO COc1ccc(C2(C[NH2+]CCCN)CCCCC2)cc1OC ZINC000415094704 543328744 /nfs/dbraw/zinc/32/87/44/543328744.db2.gz XUCPDURHPWZIMQ-UHFFFAOYSA-N 1 3 306.450 2.844 20 0 DFADHO COc1ccc(C2(CNCCC[NH3+])CCCCC2)cc1OC ZINC000415094704 543328748 /nfs/dbraw/zinc/32/87/48/543328748.db2.gz XUCPDURHPWZIMQ-UHFFFAOYSA-N 1 3 306.450 2.844 20 0 DFADHO CC(C)C[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000172614129 145309875 /nfs/dbraw/zinc/30/98/75/145309875.db2.gz MLDOHLCVJRBNIT-UHFFFAOYSA-N 1 3 317.477 2.598 20 0 DFADHO COc1cc(Cl)c(CNCC2CC[NH+](C)CC2)cc1OC ZINC000631065407 399972956 /nfs/dbraw/zinc/97/29/56/399972956.db2.gz RNAZJNFFLMOJIQ-UHFFFAOYSA-N 1 3 312.841 2.789 20 0 DFADHO Cc1cc(C)c(/C=C\C[NH2+]CC2(O)CCN(C)CC2)cc1C ZINC000631078738 399976198 /nfs/dbraw/zinc/97/61/98/399976198.db2.gz XGDFVUDESNCRHH-WAYWQWQTSA-N 1 3 302.462 2.671 20 0 DFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(=O)[nH]c1 ZINC000631082864 399977199 /nfs/dbraw/zinc/97/71/99/399977199.db2.gz IQGYBSMQQZBVRL-YJBOKZPZSA-N 1 3 311.429 2.787 20 0 DFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(=O)[nH]c1 ZINC000631082864 399977200 /nfs/dbraw/zinc/97/72/00/399977200.db2.gz IQGYBSMQQZBVRL-YJBOKZPZSA-N 1 3 311.429 2.787 20 0 DFADHO CCC(O)(CC)C[N@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000628479719 400035815 /nfs/dbraw/zinc/03/58/15/400035815.db2.gz YHGGPELPGHSKER-UHFFFAOYSA-N 1 3 308.466 2.610 20 0 DFADHO CCC(O)(CC)C[N@@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000628479719 400035816 /nfs/dbraw/zinc/03/58/16/400035816.db2.gz YHGGPELPGHSKER-UHFFFAOYSA-N 1 3 308.466 2.610 20 0 DFADHO CC[C@@H]1CCCC[C@@H]1C[NH+]1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000628167262 399995194 /nfs/dbraw/zinc/99/51/94/399995194.db2.gz INVSSXBRAIBMOS-GUDVDZBRSA-N 1 3 307.526 2.915 20 0 DFADHO CC[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CO1 ZINC000631194536 400000340 /nfs/dbraw/zinc/00/03/40/400000340.db2.gz LYTDIDYFRLNLGD-DSLXNQLJSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@@H]1C[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000631194536 400000342 /nfs/dbraw/zinc/00/03/42/400000342.db2.gz LYTDIDYFRLNLGD-DSLXNQLJSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@@H]1C[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000631194536 400000343 /nfs/dbraw/zinc/00/03/43/400000343.db2.gz LYTDIDYFRLNLGD-DSLXNQLJSA-N 1 3 302.462 2.912 20 0 DFADHO CC(C)OCCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000631262580 400014955 /nfs/dbraw/zinc/01/49/55/400014955.db2.gz HZJKOFASRLGFCS-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO c1ccc2c(c1)CO[C@H](C[NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000628383018 400028334 /nfs/dbraw/zinc/02/83/34/400028334.db2.gz RLSBLUVYXSPRQM-FQEVSTJZSA-N 1 3 323.440 2.782 20 0 DFADHO Cc1cccc2c1C[C@@H]([NH2+]C1CCN(c3ccncc3)CC1)CO2 ZINC000628403719 400030491 /nfs/dbraw/zinc/03/04/91/400030491.db2.gz LUIMZHZKLGYDBR-QGZVFWFLSA-N 1 3 323.440 2.952 20 0 DFADHO COc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000631566136 400052228 /nfs/dbraw/zinc/05/22/28/400052228.db2.gz LQYCFQYJOHRDAV-WMLDXEAASA-N 1 3 316.445 2.983 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@H](O)C(F)F)CC1 ZINC000631696891 400067869 /nfs/dbraw/zinc/06/78/69/400067869.db2.gz ILRRNUIPJRJVHW-YUELXQCFSA-N 1 3 304.425 2.635 20 0 DFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@H](O)C(F)F)CC1 ZINC000631696891 400067870 /nfs/dbraw/zinc/06/78/70/400067870.db2.gz ILRRNUIPJRJVHW-YUELXQCFSA-N 1 3 304.425 2.635 20 0 DFADHO CC(C)[C@H]1CN([C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCN1C ZINC000631794098 400075772 /nfs/dbraw/zinc/07/57/72/400075772.db2.gz RMGGTNJQOOVMQP-RLLQIKCJSA-N 1 3 315.505 2.779 20 0 DFADHO CC(C)[C@H]1CN([C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCN1C ZINC000631794098 400075774 /nfs/dbraw/zinc/07/57/74/400075774.db2.gz RMGGTNJQOOVMQP-RLLQIKCJSA-N 1 3 315.505 2.779 20 0 DFADHO Cc1cc(C)c(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(C)n1 ZINC000631828350 400078192 /nfs/dbraw/zinc/07/81/92/400078192.db2.gz MKUWGEFUPBMBDV-MJGOQNOKSA-N 1 3 317.477 2.725 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H]1CCc2c1cccc2OC ZINC000349660930 285909801 /nfs/dbraw/zinc/90/98/01/285909801.db2.gz DFKWUESFXYCGJO-QGZVFWFLSA-N 1 3 306.450 2.631 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000234741522 146018017 /nfs/dbraw/zinc/01/80/17/146018017.db2.gz BFVDGIHAESBAJN-WCQYABFASA-N 1 3 302.365 2.693 20 0 DFADHO C[C@H](CN[C@@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000237606494 146047771 /nfs/dbraw/zinc/04/77/71/146047771.db2.gz AFCQBEKSEJWGIV-UYAOXDASSA-N 1 3 315.505 2.973 20 0 DFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CCCO2)C3)cc1 ZINC000245784378 146102949 /nfs/dbraw/zinc/10/29/49/146102949.db2.gz ZIVJNZVFJWCHRS-RDGPPVDQSA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CCCO2)C3)cc1 ZINC000245784378 146102951 /nfs/dbraw/zinc/10/29/51/146102951.db2.gz ZIVJNZVFJWCHRS-RDGPPVDQSA-N 1 3 300.446 2.951 20 0 DFADHO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)N1CCCCCC1 ZINC000246097261 146119865 /nfs/dbraw/zinc/11/98/65/146119865.db2.gz AWPIJLDLTXAIJP-ROUUACIJSA-N 1 3 323.525 2.879 20 0 DFADHO C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)N1CCCCCC1 ZINC000246097261 146119867 /nfs/dbraw/zinc/11/98/67/146119867.db2.gz AWPIJLDLTXAIJP-ROUUACIJSA-N 1 3 323.525 2.879 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000246289648 146136514 /nfs/dbraw/zinc/13/65/14/146136514.db2.gz KSRXYVPEWIMOJJ-RHSMWYFYSA-N 1 3 318.465 2.552 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000246289648 146136517 /nfs/dbraw/zinc/13/65/17/146136517.db2.gz KSRXYVPEWIMOJJ-RHSMWYFYSA-N 1 3 318.465 2.552 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCC=CO3)CC2)C[C@H](C)O1 ZINC000248995518 146181024 /nfs/dbraw/zinc/18/10/24/146181024.db2.gz OURSFYVGURDQDD-SOLBZPMBSA-N 1 3 308.466 2.500 20 0 DFADHO FC(F)COCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000249032359 146182668 /nfs/dbraw/zinc/18/26/68/146182668.db2.gz LTLXIWDBRLAGHY-BRWVUGGUSA-N 1 3 324.415 2.768 20 0 DFADHO FC(F)COCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000249032359 146182672 /nfs/dbraw/zinc/18/26/72/146182672.db2.gz LTLXIWDBRLAGHY-BRWVUGGUSA-N 1 3 324.415 2.768 20 0 DFADHO FC(F)COCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000249032359 146182675 /nfs/dbraw/zinc/18/26/75/146182675.db2.gz LTLXIWDBRLAGHY-BRWVUGGUSA-N 1 3 324.415 2.768 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C12CCOCC2 ZINC000249034908 146183659 /nfs/dbraw/zinc/18/36/59/146183659.db2.gz TXBQMSOKKWMWIX-FGTMMUONSA-N 1 3 324.509 2.671 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@@H](O)C(F)F ZINC000453272088 543371798 /nfs/dbraw/zinc/37/17/98/543371798.db2.gz RXTTXWHQEKTZFW-FXUDXRNXSA-N 1 3 312.404 2.816 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@@H](O)C(F)F ZINC000453272088 543371801 /nfs/dbraw/zinc/37/18/01/543371801.db2.gz RXTTXWHQEKTZFW-FXUDXRNXSA-N 1 3 312.404 2.816 20 0 DFADHO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(CC[NH+](C)C)CC1 ZINC000249687584 146203707 /nfs/dbraw/zinc/20/37/07/146203707.db2.gz LEMKIBDDNSSTKE-BBWFWOEESA-N 1 3 323.525 2.828 20 0 DFADHO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1[C@@H](C)CC[C@@H]1C ZINC000249763431 146205275 /nfs/dbraw/zinc/20/52/75/146205275.db2.gz XZZLFZOWMGYSLY-OWSLCNJRSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1[C@@H](C)CC[C@@H]1C ZINC000249763431 146205278 /nfs/dbraw/zinc/20/52/78/146205278.db2.gz XZZLFZOWMGYSLY-OWSLCNJRSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@H]1CN(CC2CC[NH+](Cc3cccc(N)c3)CC2)C[C@H](C)O1 ZINC000261616955 146246947 /nfs/dbraw/zinc/24/69/47/146246947.db2.gz BHKHSKZTASBMPU-HOTGVXAUSA-N 1 3 317.477 2.590 20 0 DFADHO [NH3+][C@H]1C[C@H](NC2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000261613508 146247375 /nfs/dbraw/zinc/24/73/75/146247375.db2.gz BIZKJAFGXMJRRE-ROUUACIJSA-N 1 3 308.429 2.785 20 0 DFADHO CCOc1ccccc1OCCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261650600 146253958 /nfs/dbraw/zinc/25/39/58/146253958.db2.gz FCTRTCVKSXNRIC-KRWDZBQOSA-N 1 3 318.461 2.928 20 0 DFADHO c1ccc(N2CCC(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000261668892 146257154 /nfs/dbraw/zinc/25/71/54/146257154.db2.gz GZRYCBJSEPRLJN-OKZBNKHCSA-N 1 3 314.477 2.561 20 0 DFADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000261738295 146268125 /nfs/dbraw/zinc/26/81/25/146268125.db2.gz NQSAUFXYDKTMIZ-LSDHHAIUSA-N 1 3 319.424 2.708 20 0 DFADHO C[NH2+]CCC1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000261740125 146269001 /nfs/dbraw/zinc/26/90/01/146269001.db2.gz NVKCQXHVYPBIOD-UHFFFAOYSA-N 1 3 314.429 2.923 20 0 DFADHO CC[C@H](c1ccc(Cl)cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261772103 146273515 /nfs/dbraw/zinc/27/35/15/146273515.db2.gz WEQJVOCDZYSSLM-DLBZAZTESA-N 1 3 307.869 2.771 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(OC(F)(F)F)c3)C[C@H]12 ZINC000261773619 146275206 /nfs/dbraw/zinc/27/52/06/146275206.db2.gz WFDPWWWRSOESFJ-FPMFFAJLSA-N 1 3 300.324 2.754 20 0 DFADHO Cc1nc(C)c(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261816867 146281884 /nfs/dbraw/zinc/28/18/84/146281884.db2.gz RXFOKGOCBBEGAU-CVEARBPZSA-N 1 3 301.459 2.934 20 0 DFADHO CC[C@H]1CN(C[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261954899 146308443 /nfs/dbraw/zinc/30/84/43/146308443.db2.gz OLOLVOMQUFAIRX-OALUTQOASA-N 1 3 301.478 2.582 20 0 DFADHO Cc1nc2ccccc2n1C1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261981745 146315985 /nfs/dbraw/zinc/31/59/85/146315985.db2.gz JGEXIUKVCDQVLA-IBGZPJMESA-N 1 3 312.461 2.981 20 0 DFADHO COc1ccc(OCCN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000262031496 146324717 /nfs/dbraw/zinc/32/47/17/146324717.db2.gz YVCCPAZSEHSNCC-SFHVURJKSA-N 1 3 304.434 2.538 20 0 DFADHO c1cc(-c2n[nH]cc2CN2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000262115732 146336146 /nfs/dbraw/zinc/33/61/46/146336146.db2.gz WWJZXXOCACMPBO-UHFFFAOYSA-N 1 3 302.447 2.714 20 0 DFADHO C[C@H]([NH3+])C1CCN(CCOc2ccc(F)cc2Cl)CC1 ZINC000262184252 146341209 /nfs/dbraw/zinc/34/12/09/146341209.db2.gz XHIUJAXMRMQSCN-NSHDSACASA-N 1 3 300.805 2.917 20 0 DFADHO CCCOc1ccc(OCCN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000262560879 146371449 /nfs/dbraw/zinc/37/14/49/146371449.db2.gz VLLFYPTWBQUWIB-JCGIZDLHSA-N 1 3 304.434 2.523 20 0 DFADHO CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000262703673 146382814 /nfs/dbraw/zinc/38/28/14/146382814.db2.gz KOSNFTUGWHRSKD-HOCLYGCPSA-N 1 3 311.495 2.765 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000262692975 146382907 /nfs/dbraw/zinc/38/29/07/146382907.db2.gz ARIJIOGJNXNOGU-YJBOKZPZSA-N 1 3 303.450 2.903 20 0 DFADHO CCC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000354763383 147141609 /nfs/dbraw/zinc/14/16/09/147141609.db2.gz QACHARQOSCUYFV-GOSISDBHSA-N 1 3 323.525 2.735 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCOc2ccc(F)cc2)C1 ZINC000350200924 286018666 /nfs/dbraw/zinc/01/86/66/286018666.db2.gz CVTHLWYGFZSSSZ-GOSISDBHSA-N 1 3 324.440 2.637 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCOC2CCCC2)[C@@H](C)C1 ZINC000358016754 148214406 /nfs/dbraw/zinc/21/44/06/148214406.db2.gz HLDHBOYJRWONFG-FUHWJXTLSA-N 1 3 312.498 2.672 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCOC2CCCC2)[C@@H](C)C1 ZINC000358016754 148214410 /nfs/dbraw/zinc/21/44/10/148214410.db2.gz HLDHBOYJRWONFG-FUHWJXTLSA-N 1 3 312.498 2.672 20 0 DFADHO COc1cc2c(cc1OC)[C@@H](N1CCC(C[NH+](C)C)CC1)CC2 ZINC000637907948 543494396 /nfs/dbraw/zinc/49/43/96/543494396.db2.gz VUOWZOKJSGOMKC-KRWDZBQOSA-N 1 3 318.461 2.965 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358103364 148244416 /nfs/dbraw/zinc/24/44/16/148244416.db2.gz KJWOVWUXCKOLKC-JFIYKMOQSA-N 1 3 321.509 2.630 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358103364 148244420 /nfs/dbraw/zinc/24/44/20/148244420.db2.gz KJWOVWUXCKOLKC-JFIYKMOQSA-N 1 3 321.509 2.630 20 0 DFADHO COc1ccc(OC)c(CCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358366945 148343124 /nfs/dbraw/zinc/34/31/24/148343124.db2.gz LJNCNAURCIFYFW-SJORKVTESA-N 1 3 318.461 2.853 20 0 DFADHO COc1ccc(OC)c(CCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358366945 148343125 /nfs/dbraw/zinc/34/31/25/148343125.db2.gz LJNCNAURCIFYFW-SJORKVTESA-N 1 3 318.461 2.853 20 0 DFADHO CCCN(C)CC(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000358569318 148388247 /nfs/dbraw/zinc/38/82/47/148388247.db2.gz VPGZMJBGSUNYDA-QGZVFWFLSA-N 1 3 305.466 2.528 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccncc1 ZINC000350513133 286053860 /nfs/dbraw/zinc/05/38/60/286053860.db2.gz KDCVATZDGNYXDI-INIZCTEOSA-N 1 3 313.445 2.915 20 0 DFADHO C[C@@H]1C[C@@H](N[C@H](CO)CC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000361435398 149115388 /nfs/dbraw/zinc/11/53/88/149115388.db2.gz LNABFJPLRMGAIG-KBMXLJTQSA-N 1 3 312.404 2.645 20 0 DFADHO C[C@@H]1C[C@@H](N[C@H](CO)CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000361435398 149115390 /nfs/dbraw/zinc/11/53/90/149115390.db2.gz LNABFJPLRMGAIG-KBMXLJTQSA-N 1 3 312.404 2.645 20 0 DFADHO CCC[C@@](C)(N)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000361729369 149203553 /nfs/dbraw/zinc/20/35/53/149203553.db2.gz RPRWRULRAZQHDG-GOSISDBHSA-N 1 3 309.498 2.665 20 0 DFADHO CC(C)Oc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000361884784 149245975 /nfs/dbraw/zinc/24/59/75/149245975.db2.gz FVCZQEWIHKJDOJ-OAHLLOKOSA-N 1 3 306.450 2.581 20 0 DFADHO CC[NH+](CC)CCOCCNCc1cc2ccc(F)cc2[nH]1 ZINC000362914978 149395934 /nfs/dbraw/zinc/39/59/34/149395934.db2.gz XKKUWTIMSOVORC-UHFFFAOYSA-N 1 3 307.413 2.755 20 0 DFADHO CC[NH+](CC)CCOC1CCN([C@@H](C)c2ccccn2)CC1 ZINC000493131247 299721627 /nfs/dbraw/zinc/72/16/27/299721627.db2.gz JDBITGUHIANCJS-INIZCTEOSA-N 1 3 305.466 2.965 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OCc4ccccn4)cc3)C[C@H]12 ZINC000351472615 286129030 /nfs/dbraw/zinc/12/90/30/286129030.db2.gz BERNSEDTYUPQIG-LSTHTHJFSA-N 1 3 323.440 2.830 20 0 DFADHO Cc1ccc(CCN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371295589 150017922 /nfs/dbraw/zinc/01/79/22/150017922.db2.gz SRRJBLBZCWWKMD-GBESFXJTSA-N 1 3 302.462 2.721 20 0 DFADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000371869237 150105771 /nfs/dbraw/zinc/10/57/71/150105771.db2.gz FKLLJJQHLRWUHE-GOSISDBHSA-N 1 3 305.510 2.692 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000371879689 150109109 /nfs/dbraw/zinc/10/91/09/150109109.db2.gz JYQFKQQGLIZVAK-IAGOWNOFSA-N 1 3 315.461 2.870 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000371879689 150109111 /nfs/dbraw/zinc/10/91/11/150109111.db2.gz JYQFKQQGLIZVAK-IAGOWNOFSA-N 1 3 315.461 2.870 20 0 DFADHO CN1CC[C@@H](CNC(=O)C2([NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000372097819 150137058 /nfs/dbraw/zinc/13/70/58/150137058.db2.gz CYEBOEJKDQHZOK-DZGCQCFKSA-N 1 3 321.490 2.519 20 0 DFADHO Cc1cnn(CC2CCN(CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000351598059 286164674 /nfs/dbraw/zinc/16/46/74/286164674.db2.gz MZGGHCTZCTUOMA-GOSISDBHSA-N 1 3 304.482 2.778 20 0 DFADHO Cc1cnn(CC2CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000351598059 286164676 /nfs/dbraw/zinc/16/46/76/286164676.db2.gz MZGGHCTZCTUOMA-GOSISDBHSA-N 1 3 304.482 2.778 20 0 DFADHO CC[C@H](C)NC(=[NH2+])NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000374006041 150290996 /nfs/dbraw/zinc/29/09/96/150290996.db2.gz ODZCXUIKYYGASA-MAUKXSAKSA-N 1 3 302.466 2.811 20 0 DFADHO CN1CCN(CC[NH2+]C2CC(c3ccccc3F)C2)CC1(C)C ZINC000374230224 150326683 /nfs/dbraw/zinc/32/66/83/150326683.db2.gz NHIQOACQLZMPAO-UHFFFAOYSA-N 1 3 319.468 2.687 20 0 DFADHO CCOC(=O)C1(C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000351914767 286243224 /nfs/dbraw/zinc/24/32/24/286243224.db2.gz DRENRJIZLAOZMJ-DOTOQJQBSA-N 1 3 322.493 2.962 20 0 DFADHO CN1CC[C@H](NCC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccccc1 ZINC000352099172 286291305 /nfs/dbraw/zinc/29/13/05/286291305.db2.gz FFPKZYGSSVJAKK-CEXWTWQISA-N 1 3 301.478 2.896 20 0 DFADHO CN1CC[C@H](NCC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccccc1 ZINC000352099172 286291306 /nfs/dbraw/zinc/29/13/06/286291306.db2.gz FFPKZYGSSVJAKK-CEXWTWQISA-N 1 3 301.478 2.896 20 0 DFADHO C[C@@H](CNCc1ccccc1-c1ccnn1C)C[NH+]1CCCC1 ZINC000352158547 286307995 /nfs/dbraw/zinc/30/79/95/286307995.db2.gz KRHLMQIMTZHXMY-INIZCTEOSA-N 1 3 312.461 2.909 20 0 DFADHO C[C@@H](C[NH2+]Cc1ccccc1-c1ccnn1C)CN1CCCC1 ZINC000352158547 286307997 /nfs/dbraw/zinc/30/79/97/286307997.db2.gz KRHLMQIMTZHXMY-INIZCTEOSA-N 1 3 312.461 2.909 20 0 DFADHO [NH3+]CC[C@@H]1CCCCN1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000352495174 286388141 /nfs/dbraw/zinc/38/81/41/286388141.db2.gz JERZOFYDIZGIHN-PKOBYXMFSA-N 1 3 318.461 2.948 20 0 DFADHO CCN1CCN(CCC[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352766536 286461366 /nfs/dbraw/zinc/46/13/66/286461366.db2.gz XRSYQTQDVMGOLM-HYXAFXHYSA-N 1 3 323.431 2.595 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000246463503 158092968 /nfs/dbraw/zinc/09/29/68/158092968.db2.gz QBCKWRQHVAFOMT-UONOGXRCSA-N 1 3 307.507 2.884 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000246463503 158092972 /nfs/dbraw/zinc/09/29/72/158092972.db2.gz QBCKWRQHVAFOMT-UONOGXRCSA-N 1 3 307.507 2.884 20 0 DFADHO COCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000246920709 158105670 /nfs/dbraw/zinc/10/56/70/158105670.db2.gz GBOUKCCCKFIMDE-JFIYKMOQSA-N 1 3 320.477 2.839 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@H]1CCN(CC)C[C@@H]1C)c1ccco1 ZINC000246936847 158107216 /nfs/dbraw/zinc/10/72/16/158107216.db2.gz HKJAGIGKZUXYTG-YESZJQIVSA-N 1 3 307.482 2.982 20 0 DFADHO Cc1ccc([C@H](O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246994126 158113038 /nfs/dbraw/zinc/11/30/38/158113038.db2.gz WOQIXICFMISRIV-YSIASYRMSA-N 1 3 314.473 2.977 20 0 DFADHO Cc1ccc([C@H](O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246994126 158113041 /nfs/dbraw/zinc/11/30/41/158113041.db2.gz WOQIXICFMISRIV-YSIASYRMSA-N 1 3 314.473 2.977 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CCN1C ZINC000247044994 158116932 /nfs/dbraw/zinc/11/69/32/158116932.db2.gz OMKJHVPGSQIKQY-RLLQIKCJSA-N 1 3 315.505 2.623 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000247067996 158117738 /nfs/dbraw/zinc/11/77/38/158117738.db2.gz ODWDRIZPRKSFIX-JCGIZDLHSA-N 1 3 307.457 2.748 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000247067996 158117740 /nfs/dbraw/zinc/11/77/40/158117740.db2.gz ODWDRIZPRKSFIX-JCGIZDLHSA-N 1 3 307.457 2.748 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000247067996 158117742 /nfs/dbraw/zinc/11/77/42/158117742.db2.gz ODWDRIZPRKSFIX-JCGIZDLHSA-N 1 3 307.457 2.748 20 0 DFADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cccc(OCCN(C)C)c1 ZINC000247068093 158117890 /nfs/dbraw/zinc/11/78/90/158117890.db2.gz ODWZVIGGCGQRSF-RLFYNMQTSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@@H](C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C[C@H](C)O ZINC000247923569 158151640 /nfs/dbraw/zinc/15/16/40/158151640.db2.gz BLAKIKWWALVVLR-OWCLPIDISA-N 1 3 308.466 2.685 20 0 DFADHO Cc1cnn(CCCCC[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000248133653 158161402 /nfs/dbraw/zinc/16/14/02/158161402.db2.gz OUPWMACZPLCEOV-ROUUACIJSA-N 1 3 304.482 2.778 20 0 DFADHO Cc1cnn(CCCCC[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000248133653 158161403 /nfs/dbraw/zinc/16/14/03/158161403.db2.gz OUPWMACZPLCEOV-ROUUACIJSA-N 1 3 304.482 2.778 20 0 DFADHO c1cnn(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000248396485 158172485 /nfs/dbraw/zinc/17/24/85/158172485.db2.gz HCZLPAZYDSNBDM-SLFFLAALSA-N 1 3 324.472 2.773 20 0 DFADHO c1cnn(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000248396485 158172489 /nfs/dbraw/zinc/17/24/89/158172489.db2.gz HCZLPAZYDSNBDM-SLFFLAALSA-N 1 3 324.472 2.773 20 0 DFADHO c1cnn(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000248396485 158172492 /nfs/dbraw/zinc/17/24/92/158172492.db2.gz HCZLPAZYDSNBDM-SLFFLAALSA-N 1 3 324.472 2.773 20 0 DFADHO COCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248418652 158174647 /nfs/dbraw/zinc/17/46/47/158174647.db2.gz TWIBGGAABZRWFV-GDAAHCPNSA-N 1 3 302.462 2.912 20 0 DFADHO C[C@H](C[C@H](O)c1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248742919 158199373 /nfs/dbraw/zinc/19/93/73/158199373.db2.gz ALQSMHUSKAKZTP-BVXMROAISA-N 1 3 306.425 2.853 20 0 DFADHO C[C@H](C[C@H](O)c1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248742919 158199376 /nfs/dbraw/zinc/19/93/76/158199376.db2.gz ALQSMHUSKAKZTP-BVXMROAISA-N 1 3 306.425 2.853 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000248826366 158203101 /nfs/dbraw/zinc/20/31/01/158203101.db2.gz CZNOMDNXQHVUSZ-HNBVOPMISA-N 1 3 315.505 2.827 20 0 DFADHO CCCN(CCN1CCCCCC1)C(=O)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000356641583 158304681 /nfs/dbraw/zinc/30/46/81/158304681.db2.gz ITAXFRNFZWZFER-MSOLQXFVSA-N 1 3 323.525 2.831 20 0 DFADHO CCCN(CCN1CCCCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000356641583 158304683 /nfs/dbraw/zinc/30/46/83/158304683.db2.gz ITAXFRNFZWZFER-MSOLQXFVSA-N 1 3 323.525 2.831 20 0 DFADHO C[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1[C@H](C)CC[C@H]1C ZINC000357040783 158354742 /nfs/dbraw/zinc/35/47/42/158354742.db2.gz OVNAZHATKHMDJL-ILOCAZANSA-N 1 3 323.525 2.732 20 0 DFADHO C[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1[C@H](C)CC[C@H]1C ZINC000357040783 158354745 /nfs/dbraw/zinc/35/47/45/158354745.db2.gz OVNAZHATKHMDJL-ILOCAZANSA-N 1 3 323.525 2.732 20 0 DFADHO CCOc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357044885 158355431 /nfs/dbraw/zinc/35/54/31/158355431.db2.gz HJZXSXRSSOIGNV-QGZVFWFLSA-N 1 3 318.461 2.915 20 0 DFADHO COCCOc1ccccc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357061043 158359058 /nfs/dbraw/zinc/35/90/58/158359058.db2.gz ZBKJZABAMSYIAQ-KRWDZBQOSA-N 1 3 318.461 2.533 20 0 DFADHO CC(C)N(C)c1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000357068218 158360064 /nfs/dbraw/zinc/36/00/64/158360064.db2.gz DMDVAUMIEUOCOQ-GOSISDBHSA-N 1 3 316.493 2.748 20 0 DFADHO CCOc1ccccc1OCCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357068285 158360683 /nfs/dbraw/zinc/36/06/83/158360683.db2.gz DSKCEZWZCFWSAS-QGZVFWFLSA-N 1 3 318.461 2.786 20 0 DFADHO Fc1ccc(-n2cc(CN3CCC4(CC[NH2+]C4)CC3)cn2)cc1 ZINC000430913538 296811569 /nfs/dbraw/zinc/81/15/69/296811569.db2.gz WBCGCVOYUCKFML-UHFFFAOYSA-N 1 3 314.408 2.587 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000287087248 287056842 /nfs/dbraw/zinc/05/68/42/287056842.db2.gz PDHPZPWCAZKGKT-ATZDWAIDSA-N 1 3 320.477 2.971 20 0 DFADHO C[C@H]1C[C@H](N(C)CCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000131782586 196198283 /nfs/dbraw/zinc/19/82/83/196198283.db2.gz SAPYDSBSJNRROV-PKOBYXMFSA-N 1 3 312.461 2.868 20 0 DFADHO C[C@H]1C[C@H](N(C)CCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000131782586 196198285 /nfs/dbraw/zinc/19/82/85/196198285.db2.gz SAPYDSBSJNRROV-PKOBYXMFSA-N 1 3 312.461 2.868 20 0 DFADHO COc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c1OC ZINC000131821570 196201751 /nfs/dbraw/zinc/20/17/51/196201751.db2.gz FMGUKPVQHRSVMX-MQVJKMGUSA-N 1 3 304.434 2.809 20 0 DFADHO CN(C)[C@H](CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000433360440 296909161 /nfs/dbraw/zinc/90/91/61/296909161.db2.gz FZHWRKWGMDLPJN-RCCFBDPRSA-N 1 3 317.477 2.668 20 0 DFADHO COC[C@@H](C)Oc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000667502044 543619364 /nfs/dbraw/zinc/61/93/64/543619364.db2.gz ROCPLVUVMJCNBT-MRXNPFEDSA-N 1 3 320.477 2.874 20 0 DFADHO NCc1cccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000667726007 543667062 /nfs/dbraw/zinc/66/70/62/543667062.db2.gz HWZPIROGOLVOTC-UHFFFAOYSA-N 1 3 316.449 2.674 20 0 DFADHO C[NH2+]Cc1cccc(NC(=O)N2CCCN(C(C)(C)C)CC2)c1 ZINC000667784870 543678360 /nfs/dbraw/zinc/67/83/60/543678360.db2.gz KVMSADKKNORLDZ-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO c1cc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc(C[NH+]2CCCC2)c1 ZINC000667927822 543705069 /nfs/dbraw/zinc/70/50/69/543705069.db2.gz GTQXPRLANQJVCG-RBUKOAKNSA-N 1 3 300.446 2.940 20 0 DFADHO CC1=CC[C@@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000668488602 543814226 /nfs/dbraw/zinc/81/42/26/543814226.db2.gz CWEAMHVBNSTGGX-MOPGFXCFSA-N 1 3 300.446 2.842 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000671312882 544067014 /nfs/dbraw/zinc/06/70/14/544067014.db2.gz XZJFHMYJNLLKAW-LJQANCHMSA-N 1 3 318.461 2.630 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000671312882 544067018 /nfs/dbraw/zinc/06/70/18/544067018.db2.gz XZJFHMYJNLLKAW-LJQANCHMSA-N 1 3 318.461 2.630 20 0 DFADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672619022 544143709 /nfs/dbraw/zinc/14/37/09/544143709.db2.gz HYJFQXGLFMEZMG-XIRDDKMYSA-N 1 3 308.853 2.632 20 0 DFADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672619022 544143711 /nfs/dbraw/zinc/14/37/11/544143711.db2.gz HYJFQXGLFMEZMG-XIRDDKMYSA-N 1 3 308.853 2.632 20 0 DFADHO CC(C)[C@H](CNC1CC[NH+](CC2CC2)CC1)c1ccnn1C ZINC000682648028 545891452 /nfs/dbraw/zinc/89/14/52/545891452.db2.gz WAYYEGBERUVCKD-KRWDZBQOSA-N 1 3 304.482 2.624 20 0 DFADHO OCC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000297343474 227036675 /nfs/dbraw/zinc/03/66/75/227036675.db2.gz DUBDUWOOEJMVQL-LJQANCHMSA-N 1 3 317.477 2.971 20 0 DFADHO C[C@@H]([NH2+]Cc1c[nH]c2nccnc12)[C@@H]1CCCN(C2CCC2)C1 ZINC000290971425 222039077 /nfs/dbraw/zinc/03/90/77/222039077.db2.gz XKSMJWWKMWFWAS-ZIAGYGMSSA-N 1 3 313.449 2.701 20 0 DFADHO CC1CC[NH+](CCC[C@@H](NCCO)c2ccc(F)cc2)CC1 ZINC000291070506 222114442 /nfs/dbraw/zinc/11/44/42/222114442.db2.gz BATUNONCQJVYDY-GOSISDBHSA-N 1 3 308.441 2.961 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000291103445 222138545 /nfs/dbraw/zinc/13/85/45/222138545.db2.gz JPLQNVSGBBOWPD-MOPGFXCFSA-N 1 3 301.478 2.500 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000291103445 222138549 /nfs/dbraw/zinc/13/85/49/222138549.db2.gz JPLQNVSGBBOWPD-MOPGFXCFSA-N 1 3 301.478 2.500 20 0 DFADHO CCN1C[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000674824594 544263940 /nfs/dbraw/zinc/26/39/40/544263940.db2.gz AJSWOOQQHZPZGY-QAPCUYQASA-N 1 3 317.477 2.598 20 0 DFADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc2c(c1)OCCO2 ZINC000674881183 544273291 /nfs/dbraw/zinc/27/32/91/544273291.db2.gz YPSUUOJRIXKQNF-ZBFHGGJFSA-N 1 3 304.434 2.983 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cccc(OCCN(C)C)c1 ZINC000675766216 544334625 /nfs/dbraw/zinc/33/46/25/544334625.db2.gz FFNIHHJTETZGJJ-UAGQMJEPSA-N 1 3 306.450 2.581 20 0 DFADHO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000675876215 544341214 /nfs/dbraw/zinc/34/12/14/544341214.db2.gz WLVPZJTYAGUGOK-LSDHHAIUSA-N 1 3 307.507 2.876 20 0 DFADHO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000675876214 544341335 /nfs/dbraw/zinc/34/13/35/544341335.db2.gz WLVPZJTYAGUGOK-HUUCEWRRSA-N 1 3 307.507 2.876 20 0 DFADHO Cc1cc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)n[nH]1 ZINC000675891841 544342440 /nfs/dbraw/zinc/34/24/40/544342440.db2.gz BTVOYLLLEDZHSB-CQSZACIVSA-N 1 3 302.422 2.509 20 0 DFADHO Cn1nc(CNC2CCC(C[NH+](C)C)CC2)c2ccccc21 ZINC000676723921 544397279 /nfs/dbraw/zinc/39/72/79/544397279.db2.gz DMBPBXGUJSNKBY-UHFFFAOYSA-N 1 3 300.450 2.783 20 0 DFADHO COc1ccc2[nH]cc(CCN[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000677240792 544457321 /nfs/dbraw/zinc/45/73/21/544457321.db2.gz KXWINPCEGKKETG-HOTGVXAUSA-N 1 3 313.445 2.935 20 0 DFADHO COc1ccc2[nH]cc(CCN[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000677240792 544457325 /nfs/dbraw/zinc/45/73/25/544457325.db2.gz KXWINPCEGKKETG-HOTGVXAUSA-N 1 3 313.445 2.935 20 0 DFADHO CC(=O)Nc1cccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000677475036 544494684 /nfs/dbraw/zinc/49/46/84/544494684.db2.gz LCYHPVPHAVEEEW-SFHVURJKSA-N 1 3 315.461 2.809 20 0 DFADHO CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000677475036 544494689 /nfs/dbraw/zinc/49/46/89/544494689.db2.gz LCYHPVPHAVEEEW-SFHVURJKSA-N 1 3 315.461 2.809 20 0 DFADHO c1cn(-c2ccc(C[NH2+]C3CCN(C4CCC4)CC3)cc2)cn1 ZINC000299323792 229050757 /nfs/dbraw/zinc/05/07/57/229050757.db2.gz JFIXKDVGLIJHQT-UHFFFAOYSA-N 1 3 310.445 2.979 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+](C)Cc1ccccc1-n1cncn1 ZINC000678279192 544643092 /nfs/dbraw/zinc/64/30/92/544643092.db2.gz KZZOTQVCZGCCRO-QGZVFWFLSA-N 1 3 313.449 2.574 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+](C)Cc1ccccc1-n1cncn1 ZINC000678279192 544643095 /nfs/dbraw/zinc/64/30/95/544643095.db2.gz KZZOTQVCZGCCRO-QGZVFWFLSA-N 1 3 313.449 2.574 20 0 DFADHO CC[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C1CCCCC1 ZINC000678895043 544745039 /nfs/dbraw/zinc/74/50/39/544745039.db2.gz KNRIGIPWDSHFSA-SFHVURJKSA-N 1 3 321.509 2.678 20 0 DFADHO CCN1C[C@H](C)[C@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000679076091 544779645 /nfs/dbraw/zinc/77/96/45/544779645.db2.gz QNOUFIPPVSCPKY-KCITZHQASA-N 1 3 307.526 2.959 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000155609320 425922725 /nfs/dbraw/zinc/92/27/25/425922725.db2.gz FDCYVPQANKLEAT-UONOGXRCSA-N 1 3 311.420 2.641 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000155612634 425923247 /nfs/dbraw/zinc/92/32/47/425923247.db2.gz NHJOKAKHKZDMOP-LSDHHAIUSA-N 1 3 323.456 2.511 20 0 DFADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)N(C)C ZINC000155777450 425926097 /nfs/dbraw/zinc/92/60/97/425926097.db2.gz UFNXXUIIVLTWDU-AEFFLSMTSA-N 1 3 319.493 2.599 20 0 DFADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000155777450 425926098 /nfs/dbraw/zinc/92/60/98/425926098.db2.gz UFNXXUIIVLTWDU-AEFFLSMTSA-N 1 3 319.493 2.599 20 0 DFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH+]1CCCCC1 ZINC000155870140 425929453 /nfs/dbraw/zinc/92/94/53/425929453.db2.gz OAVJRXSXDOWBIL-INIZCTEOSA-N 1 3 317.477 2.600 20 0 DFADHO OCCCCC[NH2+][C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000192926172 268054290 /nfs/dbraw/zinc/05/42/90/268054290.db2.gz OMBFXQFRLQQCBP-QRVBRYPASA-N 1 3 302.462 2.649 20 0 DFADHO CC[NH+]1CCC(NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000223641195 268141810 /nfs/dbraw/zinc/14/18/10/268141810.db2.gz XVCYIQIVMKWOPT-OAHLLOKOSA-N 1 3 313.486 2.610 20 0 DFADHO CC1CCN([C@H](CNC(=O)C(C)(C)C[NH3+])c2ccccc2)CC1 ZINC000236726122 268149169 /nfs/dbraw/zinc/14/91/69/268149169.db2.gz IXXZZTNOIXIUMY-QGZVFWFLSA-N 1 3 317.477 2.561 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](CN)c1ccccc1)CC(C)C ZINC000236832917 268152087 /nfs/dbraw/zinc/15/20/87/268152087.db2.gz WAXLIQDENLVJOH-QZTJIDSGSA-N 1 3 319.493 2.602 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1cccc(OCCN(C)C)c1 ZINC000250087297 268167788 /nfs/dbraw/zinc/16/77/88/268167788.db2.gz PVHOVTORFXHQLN-TXPKVOOTSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000309854208 268335696 /nfs/dbraw/zinc/33/56/96/268335696.db2.gz KMWUBVSRFKPTDY-AWEZNQCLSA-N 1 3 313.486 2.611 20 0 DFADHO C[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CN1CCCC1 ZINC000309854208 268335698 /nfs/dbraw/zinc/33/56/98/268335698.db2.gz KMWUBVSRFKPTDY-AWEZNQCLSA-N 1 3 313.486 2.611 20 0 DFADHO CN1CCC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000315260601 268343165 /nfs/dbraw/zinc/34/31/65/268343165.db2.gz DJVSJKMIYUMUBK-ZDUSSCGKSA-N 1 3 324.852 2.933 20 0 DFADHO CC(C)c1nnc2n1C[C@@H](N[C@H](C)C[C@H]1CCCCC[NH2+]1)CC2 ZINC000333231025 268384711 /nfs/dbraw/zinc/38/47/11/268384711.db2.gz BZJMITBGEDXERI-OAGGEKHMSA-N 1 3 319.497 2.617 20 0 DFADHO C[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)[C@@H]1CCCC[C@H]1C ZINC000333576716 268404893 /nfs/dbraw/zinc/40/48/93/268404893.db2.gz NFIHSRMNLPDRNZ-UMVBOHGHSA-N 1 3 305.470 2.576 20 0 DFADHO CCCCNC(=O)[C@H]1CC[C@@H](C)N(CCC[NH+]2CCCCC2)C1 ZINC000125006026 425949603 /nfs/dbraw/zinc/94/96/03/425949603.db2.gz UGLVYIRWNYVDOH-MSOLQXFVSA-N 1 3 323.525 2.879 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000125095342 425952930 /nfs/dbraw/zinc/95/29/30/425952930.db2.gz QSQMYZLTHZCUTA-ADAWSYLGSA-N 1 3 306.450 2.781 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000125095342 425952931 /nfs/dbraw/zinc/95/29/31/425952931.db2.gz QSQMYZLTHZCUTA-ADAWSYLGSA-N 1 3 306.450 2.781 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000161542761 426028228 /nfs/dbraw/zinc/02/82/28/426028228.db2.gz DKUHRXLMQFWSGK-QGZVFWFLSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000161542761 426028231 /nfs/dbraw/zinc/02/82/31/426028231.db2.gz DKUHRXLMQFWSGK-QGZVFWFLSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1(C)CC1 ZINC000126729528 426034246 /nfs/dbraw/zinc/03/42/46/426034246.db2.gz KRNPERXWSZYXSM-INIZCTEOSA-N 1 3 301.478 2.712 20 0 DFADHO Cc1nccn1CCCC[N@@H+]1CCC[C@H](N2CCCCC2)C1 ZINC000161733716 426036307 /nfs/dbraw/zinc/03/63/07/426036307.db2.gz XPNCWOIHRPZEIN-SFHVURJKSA-N 1 3 304.482 2.922 20 0 DFADHO Cc1nccn1CCCC[N@H+]1CCC[C@H](N2CCCCC2)C1 ZINC000161733716 426036309 /nfs/dbraw/zinc/03/63/09/426036309.db2.gz XPNCWOIHRPZEIN-SFHVURJKSA-N 1 3 304.482 2.922 20 0 DFADHO CCC[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)N(C)C ZINC000161860136 426042246 /nfs/dbraw/zinc/04/22/46/426042246.db2.gz DXLQQXRKLDDLCT-MSOLQXFVSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@H]([NH2+]CCCn1cccn1)c1ccc(OCCN(C)C)cc1 ZINC000126977601 426045567 /nfs/dbraw/zinc/04/55/67/426045567.db2.gz RUMZFWRIPNAHMV-INIZCTEOSA-N 1 3 316.449 2.564 20 0 DFADHO C[C@H]([NH2+]CCCn1cccn1)c1cccc(OCCN(C)C)c1 ZINC000127027238 426047816 /nfs/dbraw/zinc/04/78/16/426047816.db2.gz GUXAUVWGQZSZMR-INIZCTEOSA-N 1 3 316.449 2.564 20 0 DFADHO C(CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)C[NH+]1CCCCC1 ZINC000162161862 426054530 /nfs/dbraw/zinc/05/45/30/426054530.db2.gz DKQTUJYWFYCVLG-MRXNPFEDSA-N 1 3 317.481 2.738 20 0 DFADHO COc1cc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)cc(OC)c1OC ZINC000127252137 426058071 /nfs/dbraw/zinc/05/80/71/426058071.db2.gz ITKQGSGWXQRMOV-CYBMUJFWSA-N 1 3 324.465 2.951 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCNc1ncc(Cl)cc1Cl ZINC000163114883 426090148 /nfs/dbraw/zinc/09/01/48/426090148.db2.gz FSGVGMCQEUXAHH-MFKMUULPSA-N 1 3 317.264 2.730 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCNc1ncc(Cl)cc1Cl ZINC000163114883 426090152 /nfs/dbraw/zinc/09/01/52/426090152.db2.gz FSGVGMCQEUXAHH-MFKMUULPSA-N 1 3 317.264 2.730 20 0 DFADHO Cc1cccc(NC[C@H]2CCN(CCC[NH+]3CCCC3)C2)n1 ZINC000163462597 426100900 /nfs/dbraw/zinc/10/09/00/426100900.db2.gz RKJVGAWDHWTAIZ-QGZVFWFLSA-N 1 3 302.466 2.610 20 0 DFADHO Cc1cccc(NC[C@H]2CC[N@H+](CCCN3CCCC3)C2)n1 ZINC000163462597 426100902 /nfs/dbraw/zinc/10/09/02/426100902.db2.gz RKJVGAWDHWTAIZ-QGZVFWFLSA-N 1 3 302.466 2.610 20 0 DFADHO Cc1cccc(NC[C@H]2CC[N@@H+](CCCN3CCCC3)C2)n1 ZINC000163462597 426100906 /nfs/dbraw/zinc/10/09/06/426100906.db2.gz RKJVGAWDHWTAIZ-QGZVFWFLSA-N 1 3 302.466 2.610 20 0 DFADHO C[C@H]([NH2+]CCN1CCCCC1)c1ccc(OCCN(C)C)cc1 ZINC000128215609 426106846 /nfs/dbraw/zinc/10/68/46/426106846.db2.gz PTXNDFNCIRIQBY-KRWDZBQOSA-N 1 3 319.493 2.764 20 0 DFADHO CC[C@H](N)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000164840581 426118695 /nfs/dbraw/zinc/11/86/95/426118695.db2.gz RRKSAPWGIXHVFE-MPGHIAIKSA-N 1 3 317.477 2.518 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCCOc2ccc(F)cc21 ZINC000165956820 426124184 /nfs/dbraw/zinc/12/41/84/426124184.db2.gz GWVNBKLDYUIPRV-WBVHZDCISA-N 1 3 324.440 2.986 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC000166057115 426125962 /nfs/dbraw/zinc/12/59/62/426125962.db2.gz HMEXEPINKGMRRU-TZMCWYRMSA-N 1 3 300.393 2.972 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000166004433 426126464 /nfs/dbraw/zinc/12/64/64/426126464.db2.gz BAXICSDNZRGBQE-BLLLJJGKSA-N 1 3 300.393 2.972 20 0 DFADHO C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc(OCCN(C)C)c1 ZINC000167045195 426131384 /nfs/dbraw/zinc/13/13/84/426131384.db2.gz DLXBMUOTCOJBCE-CRAIPNDOSA-N 1 3 306.450 2.847 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCCOC)[C@H](C)C1 ZINC000167630804 426132924 /nfs/dbraw/zinc/13/29/24/426132924.db2.gz BHTGLRTYQIMCIF-SJLPKXTDSA-N 1 3 320.477 2.840 20 0 DFADHO CN(C(=O)CC[N@H+](C)CC[C@@H]1CCCCN1C)c1ccccc1 ZINC000135103051 426204967 /nfs/dbraw/zinc/20/49/67/426204967.db2.gz FDDHTZIIZWLHMU-KRWDZBQOSA-N 1 3 317.477 2.846 20 0 DFADHO CN(C(=O)CC[N@@H+](C)CC[C@@H]1CCCCN1C)c1ccccc1 ZINC000135103051 426204969 /nfs/dbraw/zinc/20/49/69/426204969.db2.gz FDDHTZIIZWLHMU-KRWDZBQOSA-N 1 3 317.477 2.846 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000133446064 426177789 /nfs/dbraw/zinc/17/77/89/426177789.db2.gz IGRSHESXTVRDGE-JLSDUUJJSA-N 1 3 307.457 2.748 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000133446064 426177792 /nfs/dbraw/zinc/17/77/92/426177792.db2.gz IGRSHESXTVRDGE-JLSDUUJJSA-N 1 3 307.457 2.748 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000133446064 426177796 /nfs/dbraw/zinc/17/77/96/426177796.db2.gz IGRSHESXTVRDGE-JLSDUUJJSA-N 1 3 307.457 2.748 20 0 DFADHO C[C@H]1CN(CC2CC[NH+](CCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC000171304233 426182466 /nfs/dbraw/zinc/18/24/66/426182466.db2.gz MVTFOOFEHCOGBT-HOTGVXAUSA-N 1 3 312.498 2.623 20 0 DFADHO CC[NH+]1CCN([C@H](C)CNc2ccnc3cc(F)ccc32)CC1 ZINC000084789281 426245794 /nfs/dbraw/zinc/24/57/94/426245794.db2.gz NYNLFDRXTPUEGS-CQSZACIVSA-N 1 3 316.424 2.812 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000173890168 426250621 /nfs/dbraw/zinc/25/06/21/426250621.db2.gz IYQFBJQNZQLMCB-AWEZNQCLSA-N 1 3 323.868 2.942 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000173890168 426250623 /nfs/dbraw/zinc/25/06/23/426250623.db2.gz IYQFBJQNZQLMCB-AWEZNQCLSA-N 1 3 323.868 2.942 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000137289162 426252867 /nfs/dbraw/zinc/25/28/67/426252867.db2.gz LYRJAWUNHQMYOJ-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000137289162 426252870 /nfs/dbraw/zinc/25/28/70/426252870.db2.gz LYRJAWUNHQMYOJ-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000119110629 426262655 /nfs/dbraw/zinc/26/26/55/426262655.db2.gz IZTBVOJDZCALAA-YZGWKJHDSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2c(c1)CCC2 ZINC000150961690 426269420 /nfs/dbraw/zinc/26/94/20/426269420.db2.gz XSVIMAITLUZYND-MRXNPFEDSA-N 1 3 315.505 2.852 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150967572 426270103 /nfs/dbraw/zinc/27/01/03/426270103.db2.gz HVXCOWBRGHOGJC-DNVCBOLYSA-N 1 3 301.478 2.536 20 0 DFADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000151004860 426272049 /nfs/dbraw/zinc/27/20/49/426272049.db2.gz FLSVHGNAZRDDGG-IFXJQAMLSA-N 1 3 319.468 2.675 20 0 DFADHO CC1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000339263738 268785256 /nfs/dbraw/zinc/78/52/56/268785256.db2.gz JZMHEJLXTUGHRT-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO CC1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000339263738 268785257 /nfs/dbraw/zinc/78/52/57/268785257.db2.gz JZMHEJLXTUGHRT-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000135331364 426214173 /nfs/dbraw/zinc/21/41/73/426214173.db2.gz UDFFDYXWFBKARI-QAPCUYQASA-N 1 3 321.509 2.630 20 0 DFADHO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000135331364 426214176 /nfs/dbraw/zinc/21/41/76/426214176.db2.gz UDFFDYXWFBKARI-QAPCUYQASA-N 1 3 321.509 2.630 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](CCN2CCCc3ccccc32)C1 ZINC000090551758 426327265 /nfs/dbraw/zinc/32/72/65/426327265.db2.gz HIHPPMCPCPNZPA-QGZVFWFLSA-N 1 3 301.478 2.713 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](CCN2CCCc3ccccc32)C1 ZINC000090551758 426327267 /nfs/dbraw/zinc/32/72/67/426327267.db2.gz HIHPPMCPCPNZPA-QGZVFWFLSA-N 1 3 301.478 2.713 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000090659840 426329732 /nfs/dbraw/zinc/32/97/32/426329732.db2.gz QEIIEVODAHKLJJ-YCPHGPKFSA-N 1 3 314.433 2.597 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000090659840 426329734 /nfs/dbraw/zinc/32/97/34/426329734.db2.gz QEIIEVODAHKLJJ-YCPHGPKFSA-N 1 3 314.433 2.597 20 0 DFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccnn1C ZINC000091085045 426338861 /nfs/dbraw/zinc/33/88/61/426338861.db2.gz QDOAAVBLLNEAAF-UHFFFAOYSA-N 1 3 313.449 2.554 20 0 DFADHO CCCN1CC[C@H](C[NH2+]C2CCN(c3nc(C)cs3)CC2)C1 ZINC000151103500 426277738 /nfs/dbraw/zinc/27/77/38/426277738.db2.gz VZXFOQJSJUTBDO-OAHLLOKOSA-N 1 3 322.522 2.742 20 0 DFADHO CCCN1CC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000151121081 426279956 /nfs/dbraw/zinc/27/99/56/426279956.db2.gz FICLRTWBLXEOGW-QGZVFWFLSA-N 1 3 301.478 2.977 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000089214967 426282233 /nfs/dbraw/zinc/28/22/33/426282233.db2.gz JQQZQVHHAQELDL-JTDSTZFVSA-N 1 3 316.493 2.616 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000153652580 426398007 /nfs/dbraw/zinc/39/80/07/426398007.db2.gz WHQOIFBNODZXPS-CKEIUWERSA-N 1 3 316.424 2.830 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000152596687 426347922 /nfs/dbraw/zinc/34/79/22/426347922.db2.gz PQKLVWATHFSVCJ-JTDSTZFVSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000122159847 426362217 /nfs/dbraw/zinc/36/22/17/426362217.db2.gz OANSUNDQWSSHDC-MAUKXSAKSA-N 1 3 315.461 2.624 20 0 DFADHO C[C@@H]1C[C@@H]1c1ccc(CNCCN2CCC([NH+](C)C)CC2)o1 ZINC000176990040 426430415 /nfs/dbraw/zinc/43/04/15/426430415.db2.gz DHHAFMKHJYSXIM-PBHICJAKSA-N 1 3 305.466 2.519 20 0 DFADHO CCCC[C@@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000154559565 426446535 /nfs/dbraw/zinc/44/65/35/426446535.db2.gz WDFJOKQCQRVAPO-DLBZAZTESA-N 1 3 309.498 2.619 20 0 DFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCCc1cnccn1 ZINC000341313110 269066857 /nfs/dbraw/zinc/06/68/57/269066857.db2.gz JKVWUNLOTCDNED-UHFFFAOYSA-N 1 3 312.461 2.767 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCc1cnccn1 ZINC000341313110 269066859 /nfs/dbraw/zinc/06/68/59/269066859.db2.gz JKVWUNLOTCDNED-UHFFFAOYSA-N 1 3 312.461 2.767 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC000155526883 426473358 /nfs/dbraw/zinc/47/33/58/426473358.db2.gz QGSSAEQFXZZQPR-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC000155526883 426473361 /nfs/dbraw/zinc/47/33/61/426473361.db2.gz QGSSAEQFXZZQPR-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2sccc2C1 ZINC000177864198 426530551 /nfs/dbraw/zinc/53/05/51/426530551.db2.gz LNBXDCRPFTYRJH-IIAWOOMASA-N 1 3 307.507 2.567 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2sccc2C1 ZINC000177864198 426530554 /nfs/dbraw/zinc/53/05/54/426530554.db2.gz LNBXDCRPFTYRJH-IIAWOOMASA-N 1 3 307.507 2.567 20 0 DFADHO OCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000272498607 426541327 /nfs/dbraw/zinc/54/13/27/426541327.db2.gz NQXOYQPRFCTPEZ-PKOBYXMFSA-N 1 3 300.446 2.628 20 0 DFADHO OCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000272498607 426541330 /nfs/dbraw/zinc/54/13/30/426541330.db2.gz NQXOYQPRFCTPEZ-PKOBYXMFSA-N 1 3 300.446 2.628 20 0 DFADHO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000186520515 426542665 /nfs/dbraw/zinc/54/26/65/426542665.db2.gz SYRNESPKDRJTMQ-QRBHQTINSA-N 1 3 306.450 2.605 20 0 DFADHO COc1ccsc1[C@H](C)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000186159806 426489527 /nfs/dbraw/zinc/48/95/27/426489527.db2.gz ZIVQJTXAKVPTCM-UONOGXRCSA-N 1 3 312.479 2.644 20 0 DFADHO COc1ccsc1[C@H](C)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000186159806 426489528 /nfs/dbraw/zinc/48/95/28/426489528.db2.gz ZIVQJTXAKVPTCM-UONOGXRCSA-N 1 3 312.479 2.644 20 0 DFADHO CSCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177510439 426490472 /nfs/dbraw/zinc/49/04/72/426490472.db2.gz SMZWURPQUHOZJA-HZPDHXFCSA-N 1 3 314.539 2.951 20 0 DFADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1cn[nH]c1 ZINC000272602689 426568950 /nfs/dbraw/zinc/56/89/50/426568950.db2.gz URUICGMQZVVDJR-QNDJGXFYSA-N 1 3 310.445 2.971 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000289153783 426592167 /nfs/dbraw/zinc/59/21/67/426592167.db2.gz GOFVIPLCVRJKTF-VQIMIIECSA-N 1 3 301.478 2.852 20 0 DFADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000178256123 426593775 /nfs/dbraw/zinc/59/37/75/426593775.db2.gz NJZAHRNGLFGICT-PEBXRYMYSA-N 1 3 320.502 2.949 20 0 DFADHO C[C@H]([NH2+]CCNc1ccccn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272564269 426561641 /nfs/dbraw/zinc/56/16/41/426561641.db2.gz HANSSEMDMWMTBB-PKOBYXMFSA-N 1 3 324.472 2.994 20 0 DFADHO C[C@H](NCCNc1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272564269 426561645 /nfs/dbraw/zinc/56/16/45/426561645.db2.gz HANSSEMDMWMTBB-PKOBYXMFSA-N 1 3 324.472 2.994 20 0 DFADHO C[C@H](NCCNc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272564269 426561649 /nfs/dbraw/zinc/56/16/49/426561649.db2.gz HANSSEMDMWMTBB-PKOBYXMFSA-N 1 3 324.472 2.994 20 0 DFADHO CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000272574350 426563835 /nfs/dbraw/zinc/56/38/35/426563835.db2.gz PNAPAPPLOAJKHT-FCGDIQPGSA-N 1 3 302.462 2.504 20 0 DFADHO CC[N@H+](CCCN1CCCC1)Cc1ccc2c(c1)ncn2C ZINC000289375030 426639883 /nfs/dbraw/zinc/63/98/83/426639883.db2.gz BQFCIIHXOVAGPU-UHFFFAOYSA-N 1 3 300.450 2.881 20 0 DFADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc2c(c1)ncn2C ZINC000289375030 426639887 /nfs/dbraw/zinc/63/98/87/426639887.db2.gz BQFCIIHXOVAGPU-UHFFFAOYSA-N 1 3 300.450 2.881 20 0 DFADHO C[C@@H](C[NH+]1CCC(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000289397956 426646960 /nfs/dbraw/zinc/64/69/60/426646960.db2.gz GBQRGWVNIXOCBA-SFHVURJKSA-N 1 3 315.505 2.750 20 0 DFADHO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@]1(F)CCNC1 ZINC000178742511 426687021 /nfs/dbraw/zinc/68/70/21/426687021.db2.gz AXRJQXMAHQWQFF-GOSISDBHSA-N 1 3 319.424 2.703 20 0 DFADHO c1cc2cccc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)c2[nH]1 ZINC000236591927 426664883 /nfs/dbraw/zinc/66/48/83/426664883.db2.gz SHARZBFZCSHORY-OAHLLOKOSA-N 1 3 313.445 2.758 20 0 DFADHO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cccc(CN2CCCC2)c1 ZINC000236713408 426679382 /nfs/dbraw/zinc/67/93/82/426679382.db2.gz OSXYMZCYFGZOHV-LJQANCHMSA-N 1 3 317.477 2.776 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000236939163 426687778 /nfs/dbraw/zinc/68/77/78/426687778.db2.gz RJDJPQQWVMBWIG-KRWDZBQOSA-N 1 3 315.461 2.857 20 0 DFADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000178752167 426687895 /nfs/dbraw/zinc/68/78/95/426687895.db2.gz JQTCGJKSPRDWKG-ZWKOTPCHSA-N 1 3 321.509 2.761 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(OC)c(O)c(OC)c2)[C@@H](C)C1 ZINC000290159761 426706459 /nfs/dbraw/zinc/70/64/59/426706459.db2.gz XIAJYXIPHPHKTP-DZGCQCFKSA-N 1 3 322.449 2.572 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(O)c(OC)c2)[C@@H](C)C1 ZINC000290159761 426706462 /nfs/dbraw/zinc/70/64/62/426706462.db2.gz XIAJYXIPHPHKTP-DZGCQCFKSA-N 1 3 322.449 2.572 20 0 DFADHO CN(C[C@@H](O)C(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290192389 426714699 /nfs/dbraw/zinc/71/46/99/426714699.db2.gz GASRYCWVAYZLMQ-QZTJIDSGSA-N 1 3 304.478 2.847 20 0 DFADHO CN(C[C@@H](O)C(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290192389 426714704 /nfs/dbraw/zinc/71/47/04/426714704.db2.gz GASRYCWVAYZLMQ-QZTJIDSGSA-N 1 3 304.478 2.847 20 0 DFADHO CC[C@@H](C)NC(=O)[C@@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178915435 426719409 /nfs/dbraw/zinc/71/94/09/426719409.db2.gz DMAFYHUSACFDIT-IAGOWNOFSA-N 1 3 323.525 2.878 20 0 DFADHO CC[C@@H](C)NC(=O)[C@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178915460 426720112 /nfs/dbraw/zinc/72/01/12/426720112.db2.gz DMAFYHUSACFDIT-SJORKVTESA-N 1 3 323.525 2.878 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000290134141 426701011 /nfs/dbraw/zinc/70/10/11/426701011.db2.gz MAMFKOSCDSVLNW-DOTOQJQBSA-N 1 3 303.450 2.629 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2ccccc21 ZINC000290478850 426773889 /nfs/dbraw/zinc/77/38/89/426773889.db2.gz XHZOJTKNXGSNGP-QAPCUYQASA-N 1 3 301.478 2.851 20 0 DFADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OC(C)(C)C)cc1 ZINC000274301793 426737949 /nfs/dbraw/zinc/73/79/49/426737949.db2.gz QPAGQAALWPOAAD-NVXWUHKLSA-N 1 3 320.477 2.971 20 0 DFADHO COc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000290348740 426747541 /nfs/dbraw/zinc/74/75/41/426747541.db2.gz FYLYNTHGLIOGPJ-KRWDZBQOSA-N 1 3 318.461 2.868 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179104507 426751651 /nfs/dbraw/zinc/75/16/51/426751651.db2.gz JHBVOKFXGLXLLS-OAHLLOKOSA-N 1 3 324.900 2.803 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+]CC2=CCN(C)CC2)cc1F ZINC000274411389 426763368 /nfs/dbraw/zinc/76/33/68/426763368.db2.gz JBJLBHDJXOMWRH-AWEZNQCLSA-N 1 3 306.425 2.864 20 0 DFADHO Cc1ncsc1CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179183051 426765288 /nfs/dbraw/zinc/76/52/88/426765288.db2.gz OMENHNSESDFHCT-ZBFHGGJFSA-N 1 3 305.491 2.943 20 0 DFADHO Cc1ncsc1CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179183051 426765293 /nfs/dbraw/zinc/76/52/93/426765293.db2.gz OMENHNSESDFHCT-ZBFHGGJFSA-N 1 3 305.491 2.943 20 0 DFADHO C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000266933943 426798493 /nfs/dbraw/zinc/79/84/93/426798493.db2.gz NNPVIROSGFIBLZ-KFWWJZLASA-N 1 3 303.450 2.948 20 0 DFADHO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCCN(C)C ZINC000282036171 426817822 /nfs/dbraw/zinc/81/78/22/426817822.db2.gz FTHHKLMGOPJDMP-SJLPKXTDSA-N 1 3 320.477 2.922 20 0 DFADHO Cc1cc([C@@H](C)NCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000290733299 426827680 /nfs/dbraw/zinc/82/76/80/426827680.db2.gz PNCYTAQFZDSQOI-CQSZACIVSA-N 1 3 300.406 2.945 20 0 DFADHO CC[C@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1ccccc1F ZINC000180119572 426838621 /nfs/dbraw/zinc/83/86/21/426838621.db2.gz IJSNIESCQVMPMZ-YJBOKZPZSA-N 1 3 307.457 2.892 20 0 DFADHO COCC[C@@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180162841 426841389 /nfs/dbraw/zinc/84/13/89/426841389.db2.gz TWIBGGAABZRWFV-XGXHKWSGSA-N 1 3 302.462 2.912 20 0 DFADHO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000337682905 426919757 /nfs/dbraw/zinc/91/97/57/426919757.db2.gz OBPOORWVAZSAPP-MRXNPFEDSA-N 1 3 318.465 2.602 20 0 DFADHO CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000337682905 426919765 /nfs/dbraw/zinc/91/97/65/426919765.db2.gz OBPOORWVAZSAPP-MRXNPFEDSA-N 1 3 318.465 2.602 20 0 DFADHO CN1CCN(CC[NH2+][C@H](Cc2ccccc2)C2CC2)CC1(C)C ZINC000282232371 426860230 /nfs/dbraw/zinc/86/02/30/426860230.db2.gz IOPAEEQYUPQDBN-LJQANCHMSA-N 1 3 315.505 2.623 20 0 DFADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282232575 426861495 /nfs/dbraw/zinc/86/14/95/426861495.db2.gz IPERDXPNHRLMOK-LJQANCHMSA-N 1 3 317.521 2.869 20 0 DFADHO CC[N@@H+]1CC[C@H](NCC(C)(C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246827552 426871015 /nfs/dbraw/zinc/87/10/15/426871015.db2.gz AYHHDINUKGWZQJ-KBPBESRZSA-N 1 3 313.486 2.610 20 0 DFADHO CC[N@H+]1CC[C@H](NCC(C)(C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246827552 426871020 /nfs/dbraw/zinc/87/10/20/426871020.db2.gz AYHHDINUKGWZQJ-KBPBESRZSA-N 1 3 313.486 2.610 20 0 DFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000282286900 426871603 /nfs/dbraw/zinc/87/16/03/426871603.db2.gz LJOTYLUDPCROFQ-ZDUSSCGKSA-N 1 3 311.420 2.641 20 0 DFADHO CC[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)N(CC)CC ZINC000275643854 426885571 /nfs/dbraw/zinc/88/55/71/426885571.db2.gz MAJQGKOHWHOPAN-QGZVFWFLSA-N 1 3 305.466 2.850 20 0 DFADHO C[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)N1CCCCCC1 ZINC000275693471 426898618 /nfs/dbraw/zinc/89/86/18/426898618.db2.gz WLZHAHZJFWXCEW-INIZCTEOSA-N 1 3 317.477 2.994 20 0 DFADHO C[C@H]1Cc2ccccc2N1CCN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247112536 426903568 /nfs/dbraw/zinc/90/35/68/426903568.db2.gz TYOPSGNJAWNZRL-CBZIJGRNSA-N 1 3 301.478 2.756 20 0 DFADHO C[C@H]1Cc2ccccc2N1CCN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247112536 426903573 /nfs/dbraw/zinc/90/35/73/426903573.db2.gz TYOPSGNJAWNZRL-CBZIJGRNSA-N 1 3 301.478 2.756 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247164725 426909416 /nfs/dbraw/zinc/90/94/16/426909416.db2.gz XZNSYDBVDMKYOI-QKLQHJQFSA-N 1 3 315.505 2.753 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247164725 426909420 /nfs/dbraw/zinc/90/94/20/426909420.db2.gz XZNSYDBVDMKYOI-QKLQHJQFSA-N 1 3 315.505 2.753 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000247967175 426971520 /nfs/dbraw/zinc/97/15/20/426971520.db2.gz IGRSHESXTVRDGE-FHLIZLRMSA-N 1 3 307.457 2.748 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000247967175 426971526 /nfs/dbraw/zinc/97/15/26/426971526.db2.gz IGRSHESXTVRDGE-FHLIZLRMSA-N 1 3 307.457 2.748 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000247967175 426971532 /nfs/dbraw/zinc/97/15/32/426971532.db2.gz IGRSHESXTVRDGE-FHLIZLRMSA-N 1 3 307.457 2.748 20 0 DFADHO CN(CC(O)C[N@H+](C)C(C1CC1)C1CC1)C(C1CC1)C1CC1 ZINC000181792319 426983574 /nfs/dbraw/zinc/98/35/74/426983574.db2.gz IXRUTQMLAKLABT-UHFFFAOYSA-N 1 3 306.494 2.588 20 0 DFADHO CN(CC(O)C[N@@H+](C)C(C1CC1)C1CC1)C(C1CC1)C1CC1 ZINC000181792319 426983583 /nfs/dbraw/zinc/98/35/83/426983583.db2.gz IXRUTQMLAKLABT-UHFFFAOYSA-N 1 3 306.494 2.588 20 0 DFADHO C[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)N1[C@H](C)CC[C@H]1C ZINC000275844499 426930014 /nfs/dbraw/zinc/93/00/14/426930014.db2.gz KBACNBULUWMOJQ-BZUAXINKSA-N 1 3 317.477 2.991 20 0 DFADHO C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](c1ccccc1)N(C)C ZINC000291623102 426932631 /nfs/dbraw/zinc/93/26/31/426932631.db2.gz HBFCNFCVKXARMC-HNAYVOBHSA-N 1 3 317.477 2.526 20 0 DFADHO CCC[C@H](C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C)N(C)C ZINC000337953388 427056556 /nfs/dbraw/zinc/05/65/56/427056556.db2.gz YTFGUOFMDAHUMP-QZTJIDSGSA-N 1 3 319.493 2.698 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248402544 426996231 /nfs/dbraw/zinc/99/62/31/426996231.db2.gz NHPLMEHOGVAICF-BBWFWOEESA-N 1 3 323.525 2.876 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248402544 426996238 /nfs/dbraw/zinc/99/62/38/426996238.db2.gz NHPLMEHOGVAICF-BBWFWOEESA-N 1 3 323.525 2.876 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248402544 426996247 /nfs/dbraw/zinc/99/62/47/426996247.db2.gz NHPLMEHOGVAICF-BBWFWOEESA-N 1 3 323.525 2.876 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C)nc2C)[C@H](C)C1 ZINC000190002378 426996557 /nfs/dbraw/zinc/99/65/57/426996557.db2.gz QZJSSZYPZJIDIM-BEFAXECRSA-N 1 3 319.493 2.925 20 0 DFADHO C[C@@H]1CCN(CC2(C[N@@H+]3CC[C@H](C)[C@H](C)C3)COC2)C[C@H]1C ZINC000248420090 426999437 /nfs/dbraw/zinc/99/94/37/426999437.db2.gz LMOSDEHIBGPUCS-XMTFNYHQSA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H]1CCN(CC2(C[N@H+]3CC[C@H](C)[C@H](C)C3)COC2)C[C@H]1C ZINC000248420090 426999447 /nfs/dbraw/zinc/99/94/47/426999447.db2.gz LMOSDEHIBGPUCS-XMTFNYHQSA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H]1CC[N@@H+](CC2(CN3CC[C@H](C)[C@H](C)C3)COC2)C[C@H]1C ZINC000248420090 426999456 /nfs/dbraw/zinc/99/94/56/426999456.db2.gz LMOSDEHIBGPUCS-XMTFNYHQSA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H]1CC[N@H+](CC2(CN3CC[C@H](C)[C@H](C)C3)COC2)C[C@H]1C ZINC000248420090 426999464 /nfs/dbraw/zinc/99/94/64/426999464.db2.gz LMOSDEHIBGPUCS-XMTFNYHQSA-N 1 3 308.510 2.959 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2cccc(Cl)c2F)CC1 ZINC000268400486 427009120 /nfs/dbraw/zinc/00/91/20/427009120.db2.gz BVBAZNLGOFUFED-UHFFFAOYSA-N 1 3 314.832 2.804 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnccc2C)[C@@H](C)C1 ZINC000276275285 427025083 /nfs/dbraw/zinc/02/50/83/427025083.db2.gz SQSTUAIBSOJEIT-WMZOPIPTSA-N 1 3 305.466 2.617 20 0 DFADHO C[C@@H]([NH2+]C1(CNC(=O)C2(N)CCC2)CCCC1)c1ccccc1 ZINC000295985398 427034304 /nfs/dbraw/zinc/03/43/04/427034304.db2.gz JVNQQRGWOHDBNE-OAHLLOKOSA-N 1 3 315.461 2.648 20 0 DFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)/C=C/CN(C)C ZINC000268556379 427050557 /nfs/dbraw/zinc/05/05/57/427050557.db2.gz VITYVFNYVRMAPV-JXMROGBWSA-N 1 3 323.506 2.536 20 0 DFADHO CCC[NH2+][C@@H](C)C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000296093218 427072991 /nfs/dbraw/zinc/07/29/91/427072991.db2.gz RHWMCITXQIWXEB-AWEZNQCLSA-N 1 3 318.465 2.519 20 0 DFADHO C[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])N(C)Cc1ccccc1 ZINC000296108947 427078043 /nfs/dbraw/zinc/07/80/43/427078043.db2.gz SGCAPMGFBOHWGA-BPQIPLTHSA-N 1 3 317.477 2.531 20 0 DFADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCN2CCCC2)C3)cc1 ZINC000249056820 427082353 /nfs/dbraw/zinc/08/23/53/427082353.db2.gz YWRMREZSYOJVBW-ACDBMABISA-N 1 3 313.489 2.867 20 0 DFADHO CN1CCC(N2CCC([NH2+][C@@H]3CC[C@@H]3C3CCC3)CC2)CC1 ZINC000338000998 427085089 /nfs/dbraw/zinc/08/50/89/427085089.db2.gz SROZVRXWEJFLMS-RTBURBONSA-N 1 3 305.510 2.713 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]CC(C)(C)N(C)C)CCN1Cc1ccccc1 ZINC000268701105 427092580 /nfs/dbraw/zinc/09/25/80/427092580.db2.gz FPSVIKRINAQEDY-WMZOPIPTSA-N 1 3 303.494 2.969 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCCc2ccc(O)cc21 ZINC000283916465 427099032 /nfs/dbraw/zinc/09/90/32/427099032.db2.gz DODSDIPLUAQZNJ-WMZOPIPTSA-N 1 3 306.450 2.716 20 0 DFADHO CCc1ccc([C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000292127447 427101608 /nfs/dbraw/zinc/10/16/08/427101608.db2.gz RCZDAVCWFWBAPS-QZTJIDSGSA-N 1 3 317.477 2.500 20 0 DFADHO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc(OC)c1OC ZINC000249303886 427103455 /nfs/dbraw/zinc/10/34/55/427103455.db2.gz IFOBUGJJJOPAOU-GZBFAFLISA-N 1 3 322.449 2.531 20 0 DFADHO CCN1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719829 427104355 /nfs/dbraw/zinc/10/43/55/427104355.db2.gz NYKITJOEFAYQHA-WDSOQIARSA-N 1 3 301.478 2.581 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719829 427104363 /nfs/dbraw/zinc/10/43/63/427104363.db2.gz NYKITJOEFAYQHA-WDSOQIARSA-N 1 3 301.478 2.581 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719829 427104365 /nfs/dbraw/zinc/10/43/65/427104365.db2.gz NYKITJOEFAYQHA-WDSOQIARSA-N 1 3 301.478 2.581 20 0 DFADHO COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc(OC)c1OC ZINC000249303888 427104772 /nfs/dbraw/zinc/10/47/72/427104772.db2.gz IFOBUGJJJOPAOU-KCQAQPDRSA-N 1 3 322.449 2.531 20 0 DFADHO CCN(CC)CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268734919 427106977 /nfs/dbraw/zinc/10/69/77/427106977.db2.gz VHTOMYASTFDZLX-PKOBYXMFSA-N 1 3 303.494 2.828 20 0 DFADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000268778414 427112841 /nfs/dbraw/zinc/11/28/41/427112841.db2.gz WPOIOTGFWGGGAU-ZDUSSCGKSA-N 1 3 313.445 2.849 20 0 DFADHO CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)[C@H](C)OC ZINC000268789659 427114540 /nfs/dbraw/zinc/11/45/40/427114540.db2.gz UIALZYJAXCYZGP-HOTGVXAUSA-N 1 3 308.466 2.920 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000292186215 427124119 /nfs/dbraw/zinc/12/41/19/427124119.db2.gz XDCITQQLLJWIDH-CVEARBPZSA-N 1 3 323.506 2.779 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000268969076 427142836 /nfs/dbraw/zinc/14/28/36/427142836.db2.gz HVCNEEMRZKBMDN-IAGOWNOFSA-N 1 3 306.425 2.508 20 0 DFADHO Fc1cccc2c1CC[C@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000269044457 427149772 /nfs/dbraw/zinc/14/97/72/427149772.db2.gz WGVUAXJEWQKHII-AUUYWEPGSA-N 1 3 318.436 2.904 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccc(OCCN(C)C)cc1 ZINC000249881471 427151014 /nfs/dbraw/zinc/15/10/14/427151014.db2.gz HTACPYMTRKDKFY-VDZJLULYSA-N 1 3 320.477 2.829 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000269237013 427152334 /nfs/dbraw/zinc/15/23/34/427152334.db2.gz NKZGIWHXJWDMQS-CRAIPNDOSA-N 1 3 317.477 2.661 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000269237013 427152343 /nfs/dbraw/zinc/15/23/43/427152343.db2.gz NKZGIWHXJWDMQS-CRAIPNDOSA-N 1 3 317.477 2.661 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1)C1CC1 ZINC000157953400 271072149 /nfs/dbraw/zinc/07/21/49/271072149.db2.gz LJMJGPWXVYJTMX-AEFFLSMTSA-N 1 3 315.461 2.528 20 0 DFADHO CC(C)N(C)c1ccc(C[NH2+]C2CCN(C(C)C)CC2)cn1 ZINC000190699757 427162530 /nfs/dbraw/zinc/16/25/30/427162530.db2.gz OGIFDGSXDYSCOG-UHFFFAOYSA-N 1 3 304.482 2.889 20 0 DFADHO C[C@H]1CCC[C@@H](CC[NH+]2CCC(C(=O)NCCN(C)C)CC2)C1 ZINC000177050764 271173063 /nfs/dbraw/zinc/17/30/63/271173063.db2.gz RJEQSJUTUBAJIS-IRXDYDNUSA-N 1 3 323.525 2.593 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000338170971 427169382 /nfs/dbraw/zinc/16/93/82/427169382.db2.gz BKRJRGXPWBVTSX-QAPCUYQASA-N 1 3 317.477 2.741 20 0 DFADHO [NH3+]CCCCCCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000237993549 271254793 /nfs/dbraw/zinc/25/47/93/271254793.db2.gz JUPARBWHIXFFJK-SFHVURJKSA-N 1 3 317.477 2.849 20 0 DFADHO CN(CCO)C1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000270570713 271310937 /nfs/dbraw/zinc/31/09/37/271310937.db2.gz NJRXHBIERLOJQE-UHFFFAOYSA-N 1 3 322.518 2.698 20 0 DFADHO CN(C)CCOc1ccccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000296397947 427169997 /nfs/dbraw/zinc/16/99/97/427169997.db2.gz LJKKIHBSTZEIJJ-KRWDZBQOSA-N 1 3 318.461 2.818 20 0 DFADHO CC(C)c1nc([C@H]2CCCN(CC[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000333639030 271382055 /nfs/dbraw/zinc/38/20/55/271382055.db2.gz HVWBWCNWFZXPLD-GJZGRUSLSA-N 1 3 306.454 2.762 20 0 DFADHO CC(C)c1nc([C@H]2CCCN(CC[C@H]3CCC[NH2+]C3)C2)no1 ZINC000333639028 271382215 /nfs/dbraw/zinc/38/22/15/271382215.db2.gz HVWBWCNWFZXPLD-CABCVRRESA-N 1 3 306.454 2.762 20 0 DFADHO C(N[C@H]1CCCCC12CCCC2)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333643933 271383271 /nfs/dbraw/zinc/38/32/71/271383271.db2.gz XSOOMRZUBZJWDB-HNNXBMFYSA-N 1 3 317.481 2.864 20 0 DFADHO C[C@H]([NH2+]CCC(C)(C)CO)c1cccc(OCCN(C)C)c1 ZINC000296415904 427174782 /nfs/dbraw/zinc/17/47/82/427174782.db2.gz LEAZZVBEADVUGI-HNNXBMFYSA-N 1 3 308.466 2.686 20 0 DFADHO COC[C@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C(C)C ZINC000284311320 427176484 /nfs/dbraw/zinc/17/64/84/427176484.db2.gz JMFSHWVQQWBKFT-IBGZPJMESA-N 1 3 320.477 2.920 20 0 DFADHO C[C@@H]1C[C@@H](CCNCc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000338201055 427188730 /nfs/dbraw/zinc/18/87/30/427188730.db2.gz YFASCWTWAFDBIR-SJLPKXTDSA-N 1 3 312.461 2.810 20 0 DFADHO C[C@@H]1C[C@@H](CCNCc2cnn(C)c2)C[N@H+]1Cc1ccccc1 ZINC000338201055 427188737 /nfs/dbraw/zinc/18/87/37/427188737.db2.gz YFASCWTWAFDBIR-SJLPKXTDSA-N 1 3 312.461 2.810 20 0 DFADHO CCN(CCC[NH+](C)C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000190890990 427195171 /nfs/dbraw/zinc/19/51/71/427195171.db2.gz CVQPJUFCIOYNIX-UHFFFAOYSA-N 1 3 306.454 2.554 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000296727912 427231038 /nfs/dbraw/zinc/23/10/38/427231038.db2.gz IGEQMCRGTOPPCK-GUDVDZBRSA-N 1 3 302.462 2.660 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000296727912 427231045 /nfs/dbraw/zinc/23/10/45/427231045.db2.gz IGEQMCRGTOPPCK-GUDVDZBRSA-N 1 3 302.462 2.660 20 0 DFADHO CO[C@H](Cc1ccccc1)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000296727912 427231049 /nfs/dbraw/zinc/23/10/49/427231049.db2.gz IGEQMCRGTOPPCK-GUDVDZBRSA-N 1 3 302.462 2.660 20 0 DFADHO CO[C@H](Cc1ccccc1)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000296727912 427231054 /nfs/dbraw/zinc/23/10/54/427231054.db2.gz IGEQMCRGTOPPCK-GUDVDZBRSA-N 1 3 302.462 2.660 20 0 DFADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1cccc(F)c1F ZINC000183259161 427234768 /nfs/dbraw/zinc/23/47/68/427234768.db2.gz ODJMHEGSFXQQQC-AWEZNQCLSA-N 1 3 311.420 2.643 20 0 DFADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1cccc(F)c1F ZINC000183259161 427234776 /nfs/dbraw/zinc/23/47/76/427234776.db2.gz ODJMHEGSFXQQQC-AWEZNQCLSA-N 1 3 311.420 2.643 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285604255 427286782 /nfs/dbraw/zinc/28/67/82/427286782.db2.gz JWPWRSRXZARJGQ-AWEZNQCLSA-N 1 3 317.433 2.544 20 0 DFADHO CCCc1cc(NC[C@H]2CN(C)CCN2C)c2ccccc2[nH+]1 ZINC000269719490 427261707 /nfs/dbraw/zinc/26/17/07/427261707.db2.gz BKYPSCIIYVYDRV-INIZCTEOSA-N 1 3 312.461 2.845 20 0 DFADHO CSc1ccc([C@@H](CNC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000293292399 427275349 /nfs/dbraw/zinc/27/53/49/427275349.db2.gz DICHGYWYNUHSBQ-QGZVFWFLSA-N 1 3 307.507 2.695 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000293312390 427282876 /nfs/dbraw/zinc/28/28/76/427282876.db2.gz FFEIPRPPAOBLAJ-UXLLHSPISA-N 1 3 305.441 2.724 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000293312390 427282879 /nfs/dbraw/zinc/28/28/79/427282879.db2.gz FFEIPRPPAOBLAJ-UXLLHSPISA-N 1 3 305.441 2.724 20 0 DFADHO C[C@@H](Cc1cccc(Cl)c1)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000338429137 427315275 /nfs/dbraw/zinc/31/52/75/427315275.db2.gz DHXVMERSEAEWAI-MAUKXSAKSA-N 1 3 324.896 2.953 20 0 DFADHO CC(C)N(C)c1ccc(CN(C)CC2CC[NH+](C)CC2)cn1 ZINC000191323465 427320623 /nfs/dbraw/zinc/32/06/23/427320623.db2.gz ZPFYACAMXSXMLT-UHFFFAOYSA-N 1 3 304.482 2.700 20 0 DFADHO Cc1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c(-c2ccnn2C)c1 ZINC000338444060 427323709 /nfs/dbraw/zinc/32/37/09/427323709.db2.gz LSAWSJRSWIEAAU-WBVHZDCISA-N 1 3 312.461 2.968 20 0 DFADHO Cc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c(-c2ccnn2C)c1 ZINC000338444060 427323718 /nfs/dbraw/zinc/32/37/18/427323718.db2.gz LSAWSJRSWIEAAU-WBVHZDCISA-N 1 3 312.461 2.968 20 0 DFADHO c1cn(CCCN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000285747181 427325906 /nfs/dbraw/zinc/32/59/06/427325906.db2.gz YMZQJBCYDZEOIY-FQEVSTJZSA-N 1 3 324.472 2.871 20 0 DFADHO c1cn(CCCN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000285747181 427325912 /nfs/dbraw/zinc/32/59/12/427325912.db2.gz YMZQJBCYDZEOIY-FQEVSTJZSA-N 1 3 324.472 2.871 20 0 DFADHO CC(C)CCC[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000338447774 427328638 /nfs/dbraw/zinc/32/86/38/427328638.db2.gz RIEVNPRBOIGBHL-UHFFFAOYSA-N 1 3 305.466 2.504 20 0 DFADHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCCN(C)C)cc1 ZINC000285762812 427330656 /nfs/dbraw/zinc/33/06/56/427330656.db2.gz SGVVOIULIGBXJQ-LJQANCHMSA-N 1 3 313.445 2.915 20 0 DFADHO C[C@@H]1C[N@H+](CCCNCc2ccc3ncccc3c2)CCCO1 ZINC000277828924 427332595 /nfs/dbraw/zinc/33/25/95/427332595.db2.gz LKHVASDKENFDPN-MRXNPFEDSA-N 1 3 313.445 2.825 20 0 DFADHO C[C@@H]1C[N@@H+](CCCNCc2ccc3ncccc3c2)CCCO1 ZINC000277828924 427332600 /nfs/dbraw/zinc/33/26/00/427332600.db2.gz LKHVASDKENFDPN-MRXNPFEDSA-N 1 3 313.445 2.825 20 0 DFADHO COc1ccccc1COC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261914635 427343878 /nfs/dbraw/zinc/34/38/78/427343878.db2.gz JQWXBFKLEKNTED-MRXNPFEDSA-N 1 3 318.461 2.676 20 0 DFADHO COc1ccccc1COC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000261914635 427343890 /nfs/dbraw/zinc/34/38/90/427343890.db2.gz JQWXBFKLEKNTED-MRXNPFEDSA-N 1 3 318.461 2.676 20 0 DFADHO COCC(C)(C)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000293333388 427289909 /nfs/dbraw/zinc/28/99/09/427289909.db2.gz GEPRXQOEWOKGJT-OAHLLOKOSA-N 1 3 308.466 2.950 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc1)C(C)C ZINC000262790940 427373525 /nfs/dbraw/zinc/37/35/25/427373525.db2.gz NELMYZKDARICBG-HOTGVXAUSA-N 1 3 317.477 2.739 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc1)C(C)C ZINC000262790940 427373533 /nfs/dbraw/zinc/37/35/33/427373533.db2.gz NELMYZKDARICBG-HOTGVXAUSA-N 1 3 317.477 2.739 20 0 DFADHO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000293620132 427383885 /nfs/dbraw/zinc/38/38/85/427383885.db2.gz HACHJLDNUFPUCO-KDOFPFPSSA-N 1 3 316.445 2.998 20 0 DFADHO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000293620132 427383889 /nfs/dbraw/zinc/38/38/89/427383889.db2.gz HACHJLDNUFPUCO-KDOFPFPSSA-N 1 3 316.445 2.998 20 0 DFADHO COC(=O)c1cc(CNCCCCC[NH+]2CCCC2)oc1C ZINC000293641177 427390128 /nfs/dbraw/zinc/39/01/28/427390128.db2.gz MDALQRMNYZHYPA-UHFFFAOYSA-N 1 3 308.422 2.730 20 0 DFADHO c1cc(N2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)ccn1 ZINC000297369437 427403226 /nfs/dbraw/zinc/40/32/26/427403226.db2.gz GKRLWKXPDREDJE-INIZCTEOSA-N 1 3 301.434 2.742 20 0 DFADHO CCCN(CCN(C)C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338534003 427364930 /nfs/dbraw/zinc/36/49/30/427364930.db2.gz CMJPIANKENPTTC-UHFFFAOYSA-N 1 3 317.477 2.696 20 0 DFADHO C[C@@H](CCO)CC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000297225243 427365213 /nfs/dbraw/zinc/36/52/13/427365213.db2.gz HMWHRQCIVOPABJ-HZPDHXFCSA-N 1 3 308.466 2.686 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000262681459 427368279 /nfs/dbraw/zinc/36/82/79/427368279.db2.gz XMZQTLRIQHYXSU-NXHRZFHOSA-N 1 3 317.477 2.703 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000262681459 427368286 /nfs/dbraw/zinc/36/82/86/427368286.db2.gz XMZQTLRIQHYXSU-NXHRZFHOSA-N 1 3 317.477 2.703 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000285903141 427368743 /nfs/dbraw/zinc/36/87/43/427368743.db2.gz BKIPTAKWOGOBON-IPELMVKDSA-N 1 3 320.452 2.871 20 0 DFADHO Cc1ccnc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000286207833 427454807 /nfs/dbraw/zinc/45/48/07/427454807.db2.gz RXLIYWKRAWNWJN-BBWFWOEESA-N 1 3 305.466 2.930 20 0 DFADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc([S@@](C)=O)cc1 ZINC000278797407 427455667 /nfs/dbraw/zinc/45/56/67/427455667.db2.gz QWCGQDYKNCMQRG-NPUDJZIFSA-N 1 3 306.475 2.700 20 0 DFADHO CO[C@@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C1CC1 ZINC000293840133 427455890 /nfs/dbraw/zinc/45/58/90/427455890.db2.gz XRWPMZFZKINHSA-KSSFIOAISA-N 1 3 306.450 2.703 20 0 DFADHO Cc1cncc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000184416484 427457819 /nfs/dbraw/zinc/45/78/19/427457819.db2.gz IMYKNRXMWCRKBQ-SNRMKQJTSA-N 1 3 317.477 2.809 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192057831 427471134 /nfs/dbraw/zinc/47/11/34/427471134.db2.gz HWZNIYMIWZUKBN-QGZVFWFLSA-N 1 3 312.461 2.954 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192057831 427471140 /nfs/dbraw/zinc/47/11/40/427471140.db2.gz HWZNIYMIWZUKBN-QGZVFWFLSA-N 1 3 312.461 2.954 20 0 DFADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000192088037 427476909 /nfs/dbraw/zinc/47/69/09/427476909.db2.gz GTKIMNUQJQSVSP-KFWWJZLASA-N 1 3 323.506 2.621 20 0 DFADHO C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000192100602 427479871 /nfs/dbraw/zinc/47/98/71/427479871.db2.gz DIRNCPWXEYFZOT-JZXOWHBKSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCC(=O)NC3(C)C)CC2)C1 ZINC000338774906 427480243 /nfs/dbraw/zinc/48/02/43/427480243.db2.gz LQGZNRBLUHFJLB-HYVNUMGLSA-N 1 3 321.509 2.676 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCC(=O)NC3(C)C)CC2)C1 ZINC000338774906 427480250 /nfs/dbraw/zinc/48/02/50/427480250.db2.gz LQGZNRBLUHFJLB-HYVNUMGLSA-N 1 3 321.509 2.676 20 0 DFADHO Cc1nc2scc(C3CC3)n2c1CNCC1=CC[N@H+](C)CC1 ZINC000297681567 427426201 /nfs/dbraw/zinc/42/62/01/427426201.db2.gz PIBPJUZZBXWACI-UHFFFAOYSA-N 1 3 316.474 2.933 20 0 DFADHO Cc1nc2scc(C3CC3)n2c1CNCC1=CC[N@@H+](C)CC1 ZINC000297681567 427426210 /nfs/dbraw/zinc/42/62/10/427426210.db2.gz PIBPJUZZBXWACI-UHFFFAOYSA-N 1 3 316.474 2.933 20 0 DFADHO CC1CC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000184285923 427430432 /nfs/dbraw/zinc/43/04/32/427430432.db2.gz XLPBPWZCMISGFF-UHFFFAOYSA-N 1 3 315.505 2.973 20 0 DFADHO FC(F)(F)c1cccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000293775553 427432197 /nfs/dbraw/zinc/43/21/97/427432197.db2.gz SMVOZTRIQHKATC-KBPBESRZSA-N 1 3 313.367 2.859 20 0 DFADHO FC(F)(F)c1cccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000293775553 427432207 /nfs/dbraw/zinc/43/22/07/427432207.db2.gz SMVOZTRIQHKATC-KBPBESRZSA-N 1 3 313.367 2.859 20 0 DFADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])N(C)C)cc1 ZINC000263217898 427440248 /nfs/dbraw/zinc/44/02/48/427440248.db2.gz LGCPIEXLSYZIFV-AOIWGVFYSA-N 1 3 317.477 2.622 20 0 DFADHO C[C@H]1CC(C[NH2+]C2CCN(c3ccncc3)CC2)C[C@H](C)O1 ZINC000298029963 427506779 /nfs/dbraw/zinc/50/67/79/427506779.db2.gz FTPPAVCOHCSLRH-GJZGRUSLSA-N 1 3 303.450 2.844 20 0 DFADHO C[C@@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N1CCCCCC1 ZINC000341342988 271808250 /nfs/dbraw/zinc/80/82/50/271808250.db2.gz GSFKGDIGSJVHSP-JKSUJKDBSA-N 1 3 311.514 2.734 20 0 DFADHO C[C@H](CO)[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000278980519 427521072 /nfs/dbraw/zinc/52/10/72/427521072.db2.gz PJPBJRBHFDTRAX-QXCFHYIPSA-N 1 3 302.462 2.648 20 0 DFADHO CC1(C)C[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])c2cc(N)ccc2O1 ZINC000332190381 427541015 /nfs/dbraw/zinc/54/10/15/427541015.db2.gz CIWFSRHFFLBLTJ-KCXAZCMYSA-N 1 3 303.450 2.978 20 0 DFADHO C[C@H](COCC(F)(F)F)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298295519 427562208 /nfs/dbraw/zinc/56/22/08/427562208.db2.gz HIZYEDSOIHZEJF-GFCCVEGCSA-N 1 3 317.355 2.607 20 0 DFADHO Cc1c[nH+]ccc1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000192565950 427565844 /nfs/dbraw/zinc/56/58/44/427565844.db2.gz WTSIEWXAOYMEJK-UHFFFAOYSA-N 1 3 324.472 2.644 20 0 DFADHO C[C@H](O)CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000279152026 427576319 /nfs/dbraw/zinc/57/63/19/427576319.db2.gz SUDBMAKMYOLBOF-WZGPROSRSA-N 1 3 302.462 2.648 20 0 DFADHO CCC[C@@H]([NH2+]CCCCN1CCN(CC)CC1)c1cccnc1 ZINC000185014361 427577367 /nfs/dbraw/zinc/57/73/67/427577367.db2.gz WRNLIEDKJCDJGF-LJQANCHMSA-N 1 3 318.509 2.930 20 0 DFADHO CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000192663763 427583000 /nfs/dbraw/zinc/58/30/00/427583000.db2.gz XJGWFHVDMIVOPR-MQVJKMGUSA-N 1 3 304.434 2.809 20 0 DFADHO CCC1CC([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000342696969 272043008 /nfs/dbraw/zinc/04/30/08/272043008.db2.gz DXSUCEISUDDHOZ-UHFFFAOYSA-N 1 3 301.478 2.712 20 0 DFADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000193128137 427668980 /nfs/dbraw/zinc/66/89/80/427668980.db2.gz KMGIPUJUUVDUKY-YJBOKZPZSA-N 1 3 307.526 2.959 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC000342787924 272053684 /nfs/dbraw/zinc/05/36/84/272053684.db2.gz OEDXRMQZDCTKKR-QGZVFWFLSA-N 1 3 309.498 2.585 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)[C@H]1CCC[N@H+]1CCC ZINC000342787924 272053686 /nfs/dbraw/zinc/05/36/86/272053686.db2.gz OEDXRMQZDCTKKR-QGZVFWFLSA-N 1 3 309.498 2.585 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCN(CCN(C)Cc2ccccc2)C1 ZINC000295027969 427669446 /nfs/dbraw/zinc/66/94/46/427669446.db2.gz MSXHYZPCKFXPGT-IBGZPJMESA-N 1 3 303.494 2.782 20 0 DFADHO C[C@@H](CCc1ccccc1)CN1CCC([N@H+](C)CCO)CC1 ZINC000342952572 272070932 /nfs/dbraw/zinc/07/09/32/272070932.db2.gz PSDVZOQOCWGIDD-KRWDZBQOSA-N 1 3 304.478 2.644 20 0 DFADHO C[C@@H](CCc1ccccc1)CN1CCC([N@@H+](C)CCO)CC1 ZINC000342952572 272070934 /nfs/dbraw/zinc/07/09/34/272070934.db2.gz PSDVZOQOCWGIDD-KRWDZBQOSA-N 1 3 304.478 2.644 20 0 DFADHO C[C@H](CCO)CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000295054596 427673374 /nfs/dbraw/zinc/67/33/74/427673374.db2.gz GBMBAYCBNPAGLZ-MTFMMBMASA-N 1 3 316.489 2.895 20 0 DFADHO C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343921978 272237757 /nfs/dbraw/zinc/23/77/57/272237757.db2.gz JQDOKTPKIWYFHI-JTDSTZFVSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343921978 272237758 /nfs/dbraw/zinc/23/77/58/272237758.db2.gz JQDOKTPKIWYFHI-JTDSTZFVSA-N 1 3 319.468 2.845 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@@H](C)OC)CC1 ZINC000343984404 272247619 /nfs/dbraw/zinc/24/76/19/272247619.db2.gz ZVUBDEIQTCVICW-QGZVFWFLSA-N 1 3 319.493 2.733 20 0 DFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(F)cc1C ZINC000344147676 272274259 /nfs/dbraw/zinc/27/42/59/272274259.db2.gz QFOFEXLMTOBQIV-UHFFFAOYSA-N 1 3 321.484 2.984 20 0 DFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(F)cc1C ZINC000344147676 272274260 /nfs/dbraw/zinc/27/42/60/272274260.db2.gz QFOFEXLMTOBQIV-UHFFFAOYSA-N 1 3 321.484 2.984 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CC2(C)C)CC1 ZINC000344414107 272327833 /nfs/dbraw/zinc/32/78/33/272327833.db2.gz ZQCFUIGSFNHTHG-QGZVFWFLSA-N 1 3 301.478 2.964 20 0 DFADHO C[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)N1CCCCCC1 ZINC000344740257 272364674 /nfs/dbraw/zinc/36/46/74/272364674.db2.gz LCSPAAIDYCLGOZ-DLBZAZTESA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)N1CCCCCC1 ZINC000344740257 272364675 /nfs/dbraw/zinc/36/46/75/272364675.db2.gz LCSPAAIDYCLGOZ-DLBZAZTESA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)[C@H](N)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000272309640 427704653 /nfs/dbraw/zinc/70/46/53/427704653.db2.gz ADCQSMPZOIYLCL-SFHVURJKSA-N 1 3 317.477 2.883 20 0 DFADHO COCc1ccccc1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000336862919 427765430 /nfs/dbraw/zinc/76/54/30/427765430.db2.gz BBZOXZQZPWFQRX-UHFFFAOYSA-N 1 3 311.429 2.987 20 0 DFADHO c1ccc(CCCO[C@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000339427849 427772307 /nfs/dbraw/zinc/77/23/07/427772307.db2.gz DZNIPFUCSRVSBP-OALUTQOASA-N 1 3 302.462 2.710 20 0 DFADHO N[C@H](CC(F)F)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000345759566 272535017 /nfs/dbraw/zinc/53/50/17/272535017.db2.gz GPJBWBHLOZHHIX-CQSZACIVSA-N 1 3 311.376 2.594 20 0 DFADHO COc1ccc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000337312984 427838820 /nfs/dbraw/zinc/83/88/20/427838820.db2.gz GEANXUKVDDGIKU-KRWDZBQOSA-N 1 3 319.493 2.762 20 0 DFADHO CC[C@@H](Cn1cncn1)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000340467453 427854896 /nfs/dbraw/zinc/85/48/96/427854896.db2.gz PHCXDPCSIXCVDU-SFHVURJKSA-N 1 3 315.465 2.688 20 0 DFADHO CC[C@H](Cn1cncn1)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000340535795 427874942 /nfs/dbraw/zinc/87/49/42/427874942.db2.gz RNDIFCLYLLBYFW-SJLPKXTDSA-N 1 3 315.465 2.557 20 0 DFADHO CC[C@H](Cn1cncn1)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340535795 427874945 /nfs/dbraw/zinc/87/49/45/427874945.db2.gz RNDIFCLYLLBYFW-SJLPKXTDSA-N 1 3 315.465 2.557 20 0 DFADHO CC(C)COCC[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000337469786 427919877 /nfs/dbraw/zinc/91/98/77/427919877.db2.gz OUYJZKYBDXPISJ-OALUTQOASA-N 1 3 302.462 2.723 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000359587543 427923654 /nfs/dbraw/zinc/92/36/54/427923654.db2.gz FCILMUGATARLKM-DLBZAZTESA-N 1 3 316.489 2.569 20 0 DFADHO C[C@H](O)C[N@H+](C)C1CCN(C[C@@H]2CCc3ccccc3C2)CC1 ZINC000359587543 427923658 /nfs/dbraw/zinc/92/36/58/427923658.db2.gz FCILMUGATARLKM-DLBZAZTESA-N 1 3 316.489 2.569 20 0 DFADHO C[C@H](O)C[N@@H+](C)C1CCN(C[C@@H]2CCc3ccccc3C2)CC1 ZINC000359587543 427923663 /nfs/dbraw/zinc/92/36/63/427923663.db2.gz FCILMUGATARLKM-DLBZAZTESA-N 1 3 316.489 2.569 20 0 DFADHO C[C@@H](CCCC(F)(F)F)[NH2+]CCCN1CCCN(C)CC1 ZINC000359659230 427959894 /nfs/dbraw/zinc/95/98/94/427959894.db2.gz GOEBMCRDBSZKGZ-AWEZNQCLSA-N 1 3 309.420 2.725 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000337584303 427969490 /nfs/dbraw/zinc/96/94/90/427969490.db2.gz DIGINIWAAPPCAS-USXIJHARSA-N 1 3 318.461 2.851 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000337584303 427969493 /nfs/dbraw/zinc/96/94/93/427969493.db2.gz DIGINIWAAPPCAS-USXIJHARSA-N 1 3 318.461 2.851 20 0 DFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc(CN(C)C)cc1 ZINC000341034949 427974433 /nfs/dbraw/zinc/97/44/33/427974433.db2.gz HPBICYZXQWEQMS-IYBDPMFKSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc(CN(C)C)cc1 ZINC000341034949 427974437 /nfs/dbraw/zinc/97/44/37/427974437.db2.gz HPBICYZXQWEQMS-IYBDPMFKSA-N 1 3 317.477 2.741 20 0 DFADHO COC1(CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCCCC1 ZINC000359700168 427979268 /nfs/dbraw/zinc/97/92/68/427979268.db2.gz MJVNCSVRGPGDGY-QZTJIDSGSA-N 1 3 324.509 2.693 20 0 DFADHO CC(C)[C@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)N1CCCCC1 ZINC000341047748 427979961 /nfs/dbraw/zinc/97/99/61/427979961.db2.gz BSQAQDFDUVNETL-KZNAEPCWSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2N(C)C)C[C@H](C)O1 ZINC000340175808 427944482 /nfs/dbraw/zinc/94/44/82/427944482.db2.gz QADANHWUCAXMEC-CALCHBBNSA-N 1 3 319.493 2.732 20 0 DFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccncc1F ZINC000340207861 427953401 /nfs/dbraw/zinc/95/34/01/427953401.db2.gz YODADNWTHZCKSE-ZNMIVQPWSA-N 1 3 309.429 2.761 20 0 DFADHO CC[C@@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)[NH+](CC)CC ZINC000345925565 427954073 /nfs/dbraw/zinc/95/40/73/427954073.db2.gz DCUSRHKZIQFCSO-IRXDYDNUSA-N 1 3 305.466 2.526 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000359806281 428024316 /nfs/dbraw/zinc/02/43/16/428024316.db2.gz LWIKWUCXEIXFHC-RDJZCZTQSA-N 1 3 309.498 2.630 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000359806281 428024318 /nfs/dbraw/zinc/02/43/18/428024318.db2.gz LWIKWUCXEIXFHC-RDJZCZTQSA-N 1 3 309.498 2.630 20 0 DFADHO CC(C)[C@@H]1C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000346127540 428027924 /nfs/dbraw/zinc/02/79/24/428027924.db2.gz IFXQXEAYEJORHU-XDNAFOTISA-N 1 3 312.498 2.669 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000346132518 428030431 /nfs/dbraw/zinc/03/04/31/428030431.db2.gz BXNSPULQCFKTBP-IAGOWNOFSA-N 1 3 323.525 2.830 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000346132518 428030435 /nfs/dbraw/zinc/03/04/35/428030435.db2.gz BXNSPULQCFKTBP-IAGOWNOFSA-N 1 3 323.525 2.830 20 0 DFADHO CN1CCC(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000369688570 428036856 /nfs/dbraw/zinc/03/68/56/428036856.db2.gz AEWWZLIYNGWQRN-UHFFFAOYSA-N 1 3 321.509 2.633 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000356171402 428053535 /nfs/dbraw/zinc/05/35/35/428053535.db2.gz RLMCONIOLBINAD-JKSUJKDBSA-N 1 3 309.498 2.630 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000413498451 428062819 /nfs/dbraw/zinc/06/28/19/428062819.db2.gz MQSHEVLJXJAPET-QEOTZNIISA-N 1 3 309.498 2.579 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000413498451 428062824 /nfs/dbraw/zinc/06/28/24/428062824.db2.gz MQSHEVLJXJAPET-QEOTZNIISA-N 1 3 309.498 2.579 20 0 DFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)CCn1cccn1 ZINC000369907462 428085837 /nfs/dbraw/zinc/08/58/37/428085837.db2.gz YOIQEIBEUQBFBW-PKOBYXMFSA-N 1 3 312.461 2.726 20 0 DFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)CCn1cccn1 ZINC000369907462 428085843 /nfs/dbraw/zinc/08/58/43/428085843.db2.gz YOIQEIBEUQBFBW-PKOBYXMFSA-N 1 3 312.461 2.726 20 0 DFADHO C[C@@H]1CN(CCCCC(F)(F)F)CCN1C1CC[NH+](C)CC1 ZINC000369908301 428087544 /nfs/dbraw/zinc/08/75/44/428087544.db2.gz LFCAIERTUJCFEM-CQSZACIVSA-N 1 3 321.431 2.819 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000351853929 428112052 /nfs/dbraw/zinc/11/20/52/428112052.db2.gz PRKPBSFVDZVJOD-WCQYABFASA-N 1 3 302.340 2.797 20 0 DFADHO CC1=C[C@H](C)C[C@H](C[N@H+](C)CCN(C)C2CCN(C)CC2)C1 ZINC000356321554 428124415 /nfs/dbraw/zinc/12/44/15/428124415.db2.gz QJASRKWRORFTIO-WMZOPIPTSA-N 1 3 307.526 2.937 20 0 DFADHO CC1=C[C@H](C)C[C@H](C[N@@H+](C)CCN(C)C2CCN(C)CC2)C1 ZINC000356321554 428124421 /nfs/dbraw/zinc/12/44/21/428124421.db2.gz QJASRKWRORFTIO-WMZOPIPTSA-N 1 3 307.526 2.937 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000346202383 428067504 /nfs/dbraw/zinc/06/75/04/428067504.db2.gz UKLFZGYKAKPBQO-HNNXBMFYSA-N 1 3 305.466 2.598 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000346202383 428067506 /nfs/dbraw/zinc/06/75/06/428067506.db2.gz UKLFZGYKAKPBQO-HNNXBMFYSA-N 1 3 305.466 2.598 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000360077138 428149076 /nfs/dbraw/zinc/14/90/76/428149076.db2.gz XVILTEOMQWFNFJ-QGZVFWFLSA-N 1 3 311.514 2.689 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cn1 ZINC000414124204 428210983 /nfs/dbraw/zinc/21/09/83/428210983.db2.gz PFNULSHGRKVQOZ-NVXWUHKLSA-N 1 3 305.466 2.731 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000414124204 428210988 /nfs/dbraw/zinc/21/09/88/428210988.db2.gz PFNULSHGRKVQOZ-NVXWUHKLSA-N 1 3 305.466 2.731 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000414124204 428210990 /nfs/dbraw/zinc/21/09/90/428210990.db2.gz PFNULSHGRKVQOZ-NVXWUHKLSA-N 1 3 305.466 2.731 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1C[C@H]1C ZINC000414114626 428212697 /nfs/dbraw/zinc/21/26/97/428212697.db2.gz LXCNNRRBKQUQGC-VCBZYWHSSA-N 1 3 302.462 2.777 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)c(C)c1 ZINC000414123114 428212887 /nfs/dbraw/zinc/21/28/87/428212887.db2.gz OFUAEYOAMVAWQG-QGZVFWFLSA-N 1 3 319.493 2.682 20 0 DFADHO Cn1cnc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000414131298 428214212 /nfs/dbraw/zinc/21/42/12/428214212.db2.gz YYHPHFFDQSSRGT-ACDBMABISA-N 1 3 324.472 2.748 20 0 DFADHO Cn1cnc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000414131298 428214215 /nfs/dbraw/zinc/21/42/15/428214215.db2.gz YYHPHFFDQSSRGT-ACDBMABISA-N 1 3 324.472 2.748 20 0 DFADHO C[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000414140133 428217528 /nfs/dbraw/zinc/21/75/28/428217528.db2.gz IUPLBFFCHPWLNZ-LPHOPBHVSA-N 1 3 316.489 2.990 20 0 DFADHO C[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000414140133 428217534 /nfs/dbraw/zinc/21/75/34/428217534.db2.gz IUPLBFFCHPWLNZ-LPHOPBHVSA-N 1 3 316.489 2.990 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2ccc3occc3c2)CC1 ZINC000352768485 428241073 /nfs/dbraw/zinc/24/10/73/428241073.db2.gz GAHSRQSTQVOSCU-UHFFFAOYSA-N 1 3 315.461 2.940 20 0 DFADHO C[C@@H]1CN(C(C)(C)CNc2cc[nH+]c3ccccc23)C[C@@H](C)O1 ZINC000346588648 428228923 /nfs/dbraw/zinc/22/89/23/428228923.db2.gz AXBRSZMSNGWRLG-HUUCEWRRSA-N 1 3 313.445 2.956 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNC/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352760889 428235249 /nfs/dbraw/zinc/23/52/49/428235249.db2.gz BFIJJCSCDDOWQV-ARJAWSKDSA-N 1 3 324.415 2.803 20 0 DFADHO [NH3+]CC1CCN(Cc2ccccc2OCc2ccccn2)CC1 ZINC000346606444 428237226 /nfs/dbraw/zinc/23/72/26/428237226.db2.gz ANLJIWKMEOOQFY-UHFFFAOYSA-N 1 3 311.429 2.831 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@@H](C(C)C)[NH+]2CCCC2)cn1 ZINC000414075259 428197956 /nfs/dbraw/zinc/19/79/56/428197956.db2.gz XNEMSQLFKZHOMZ-WBVHZDCISA-N 1 3 305.466 2.731 20 0 DFADHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1ccc(F)cn1 ZINC000352685268 428204519 /nfs/dbraw/zinc/20/45/19/428204519.db2.gz SWAHRUPSNMKVCE-NVXWUHKLSA-N 1 3 322.472 2.535 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)CCN1C ZINC000370654439 428265527 /nfs/dbraw/zinc/26/55/27/428265527.db2.gz SXDWUJSLRVHVMF-RLLQIKCJSA-N 1 3 315.505 2.971 20 0 DFADHO Cc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1C ZINC000370695412 428275361 /nfs/dbraw/zinc/27/53/61/428275361.db2.gz AFFIDKZXOIEKPC-UYAOXDASSA-N 1 3 315.505 2.761 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000360417968 428290330 /nfs/dbraw/zinc/29/03/30/428290330.db2.gz WCGFCDCZVMAXAB-ZIAGYGMSSA-N 1 3 315.461 2.909 20 0 DFADHO CCc1ncc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000414280761 428250834 /nfs/dbraw/zinc/25/08/34/428250834.db2.gz DTGHCWAZRUFHFW-HZPDHXFCSA-N 1 3 304.482 2.887 20 0 DFADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370635746 428258709 /nfs/dbraw/zinc/25/87/09/428258709.db2.gz PTKDVXHJHUBLRX-NVXWUHKLSA-N 1 3 317.477 2.514 20 0 DFADHO CC1(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)COC1 ZINC000352815934 428260343 /nfs/dbraw/zinc/26/03/43/428260343.db2.gz MBOLMDXCIHZCJE-LJQANCHMSA-N 1 3 300.446 2.621 20 0 DFADHO CC1(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)COC1 ZINC000352815934 428260346 /nfs/dbraw/zinc/26/03/46/428260346.db2.gz MBOLMDXCIHZCJE-LJQANCHMSA-N 1 3 300.446 2.621 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000414344231 428262310 /nfs/dbraw/zinc/26/23/10/428262310.db2.gz KIVZSCKUVKEFLM-KYJSFNMBSA-N 1 3 305.441 2.724 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000414344231 428262314 /nfs/dbraw/zinc/26/23/14/428262314.db2.gz KIVZSCKUVKEFLM-KYJSFNMBSA-N 1 3 305.441 2.724 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(CC)CC[NH2+]C1)c1ccsc1 ZINC000370847312 428307266 /nfs/dbraw/zinc/30/72/66/428307266.db2.gz RAGNYQMEQVZSOW-RDJZCZTQSA-N 1 3 323.506 2.637 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]21 ZINC000346823066 428332476 /nfs/dbraw/zinc/33/24/76/428332476.db2.gz KEERQLXTSXHVIZ-KBRIMQKVSA-N 1 3 314.408 2.775 20 0 DFADHO FC(F)(F)CCN1CCC(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000356844005 428335260 /nfs/dbraw/zinc/33/52/60/428335260.db2.gz LYIPOGOZOBEQEA-GJZGRUSLSA-N 1 3 319.415 2.620 20 0 DFADHO FC(F)(F)CCN1CCC(N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000356844005 428335262 /nfs/dbraw/zinc/33/52/62/428335262.db2.gz LYIPOGOZOBEQEA-GJZGRUSLSA-N 1 3 319.415 2.620 20 0 DFADHO Clc1ccc(CN2CCCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346852762 428348128 /nfs/dbraw/zinc/34/81/28/428348128.db2.gz XJFQVDBOGBQSMR-QGZVFWFLSA-N 1 3 321.896 2.847 20 0 DFADHO CSc1ccc(OCCN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000342101409 428300918 /nfs/dbraw/zinc/30/09/18/428300918.db2.gz KQMCOAXYHPJTPZ-XKQJLSEDSA-N 1 3 306.475 2.847 20 0 DFADHO CSc1ccc(OCCN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342101407 428301894 /nfs/dbraw/zinc/30/18/94/428301894.db2.gz KQMCOAXYHPJTPZ-JQFCIGGWSA-N 1 3 306.475 2.847 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000346978377 428392066 /nfs/dbraw/zinc/39/20/66/428392066.db2.gz LELHSZJDCORZIT-CALCHBBNSA-N 1 3 309.498 2.632 20 0 DFADHO COc1cc(CCC2CCN(CCC[NH3+])CC2)cc(OC)c1 ZINC000414745460 428392682 /nfs/dbraw/zinc/39/26/82/428392682.db2.gz XZAUHPIFVHORHC-UHFFFAOYSA-N 1 3 306.450 2.697 20 0 DFADHO COc1cc(CCC2CC[NH+](CCCN)CC2)cc(OC)c1 ZINC000414745460 428392688 /nfs/dbraw/zinc/39/26/88/428392688.db2.gz XZAUHPIFVHORHC-UHFFFAOYSA-N 1 3 306.450 2.697 20 0 DFADHO FC1(F)Oc2cccc(CN3CCC4(C3)CC[NH2+]CC4)c2O1 ZINC000414760147 428394138 /nfs/dbraw/zinc/39/41/38/428394138.db2.gz GIZHJPOEUZRAIN-UHFFFAOYSA-N 1 3 310.344 2.584 20 0 DFADHO c1nc([C@@H]2CCCO2)sc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773076 428400216 /nfs/dbraw/zinc/40/02/16/428400216.db2.gz CTYDDMYRJAPCLL-FMKPAKJESA-N 1 3 321.490 2.816 20 0 DFADHO c1nn(-c2ccccc2)cc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774039 428401682 /nfs/dbraw/zinc/40/16/82/428401682.db2.gz FCWZPWGANTXAHT-MSOLQXFVSA-N 1 3 310.445 2.694 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000371727769 428402026 /nfs/dbraw/zinc/40/20/26/428402026.db2.gz LSZQNDAYFOPQKH-IUODEOHRSA-N 1 3 305.397 2.531 20 0 DFADHO Clc1ccc2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2c1 ZINC000414780374 428403944 /nfs/dbraw/zinc/40/39/44/428403944.db2.gz LKLNUTKXLQLKGE-ZIAGYGMSSA-N 1 3 318.852 2.809 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414790846 428414403 /nfs/dbraw/zinc/41/44/03/428414403.db2.gz ALJZCJOGHUNDBC-WWGRRREGSA-N 1 3 307.413 2.650 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000414790846 428414406 /nfs/dbraw/zinc/41/44/06/428414406.db2.gz ALJZCJOGHUNDBC-WWGRRREGSA-N 1 3 307.413 2.650 20 0 DFADHO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CCNCC1 ZINC000414786555 428408706 /nfs/dbraw/zinc/40/87/06/428408706.db2.gz XDMPUDJQFLWXAZ-JTQLQIEISA-N 1 3 315.230 2.861 20 0 DFADHO C[C@@H](Cc1ccc(Br)c(F)c1)NC1CC[NH2+]CC1 ZINC000414786555 428408708 /nfs/dbraw/zinc/40/87/08/428408708.db2.gz XDMPUDJQFLWXAZ-JTQLQIEISA-N 1 3 315.230 2.861 20 0 DFADHO CC[C@H](C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000414786290 428410012 /nfs/dbraw/zinc/41/00/12/428410012.db2.gz UMRZBGBLBPWKOV-SJLPKXTDSA-N 1 3 302.462 2.868 20 0 DFADHO CC[C@H](C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000414786290 428410021 /nfs/dbraw/zinc/41/00/21/428410021.db2.gz UMRZBGBLBPWKOV-SJLPKXTDSA-N 1 3 302.462 2.868 20 0 DFADHO c1c(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000414789963 428410544 /nfs/dbraw/zinc/41/05/44/428410544.db2.gz ZCTUKYDKRXJXPW-IRXDYDNUSA-N 1 3 310.445 2.898 20 0 DFADHO COc1ccc(OC)c(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786693 428410979 /nfs/dbraw/zinc/41/09/79/428410979.db2.gz UTBATBKSSCSWEW-GJZGRUSLSA-N 1 3 304.434 2.525 20 0 DFADHO CC(=O)N1CC[C@H]([NH2+]CCCN2CCCC2)c2ccccc2C1 ZINC000378493499 428411980 /nfs/dbraw/zinc/41/19/80/428411980.db2.gz IFLKLFONFPNSMO-IBGZPJMESA-N 1 3 315.461 2.555 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2C[C@H]2C(F)F)CC1 ZINC000342224660 428357781 /nfs/dbraw/zinc/35/77/81/428357781.db2.gz JBHBXWYJZNPRRC-CABCVRRESA-N 1 3 309.404 2.572 20 0 DFADHO COC(=O)CC[N@@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000371099173 428360289 /nfs/dbraw/zinc/36/02/89/428360289.db2.gz LTPKFGPRGJZKRH-QGZVFWFLSA-N 1 3 304.434 2.536 20 0 DFADHO COC(=O)CC[N@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000371099173 428360295 /nfs/dbraw/zinc/36/02/95/428360295.db2.gz LTPKFGPRGJZKRH-QGZVFWFLSA-N 1 3 304.434 2.536 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CSCCc2ccccc21 ZINC000166034990 273703149 /nfs/dbraw/zinc/70/31/49/273703149.db2.gz BGUXCACYTURKPE-WMZOPIPTSA-N 1 3 322.518 2.963 20 0 DFADHO C[NH2+]CC1CCN(Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414664299 428368321 /nfs/dbraw/zinc/36/83/21/428368321.db2.gz CBBQFDJJGLACRG-UHFFFAOYSA-N 1 3 316.424 2.751 20 0 DFADHO CCOc1ccccc1N1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414681812 428373648 /nfs/dbraw/zinc/37/36/48/428373648.db2.gz WRSKUIHVSQLGMC-DLBZAZTESA-N 1 3 317.477 2.595 20 0 DFADHO C[C@@H]1C[C@H](CN2CCCC[C@@H]2c2nnc3n2CCCC3)CC[NH2+]1 ZINC000414690480 428377109 /nfs/dbraw/zinc/37/71/09/428377109.db2.gz IDXSDSILHSAVJW-BZUAXINKSA-N 1 3 317.481 2.530 20 0 DFADHO CC(=O)c1ccccc1OCCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357079654 428383046 /nfs/dbraw/zinc/38/30/46/428383046.db2.gz MNKQODJYBGGXDJ-QGZVFWFLSA-N 1 3 316.445 2.590 20 0 DFADHO OC[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000378403576 428387608 /nfs/dbraw/zinc/38/76/08/428387608.db2.gz NMMYQKIMQQXNTO-GOSISDBHSA-N 1 3 320.452 2.726 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cccc(OCCOC)c2)CC1 ZINC000347084470 428437271 /nfs/dbraw/zinc/43/72/71/428437271.db2.gz ALZVNMFZTJSHNL-UHFFFAOYSA-N 1 3 306.450 2.533 20 0 DFADHO CS[C@H](CO)[C@H](C)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357228213 428442650 /nfs/dbraw/zinc/44/26/50/428442650.db2.gz FPRLUPWSEOYUQV-MXSMSXNCSA-N 1 3 322.518 2.599 20 0 DFADHO CS[C@H](CO)[C@H](C)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357228213 428442653 /nfs/dbraw/zinc/44/26/53/428442653.db2.gz FPRLUPWSEOYUQV-MXSMSXNCSA-N 1 3 322.518 2.599 20 0 DFADHO C[C@@H](Cc1ccc(Br)c(F)c1)NCC1([NH3+])CCC1 ZINC000414879982 428444282 /nfs/dbraw/zinc/44/42/82/428444282.db2.gz QEEVVUKOJBZAHV-JTQLQIEISA-N 1 3 315.230 2.990 20 0 DFADHO CSC[C@H](CCO)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357232342 428445695 /nfs/dbraw/zinc/44/56/95/428445695.db2.gz NTBKFALWPOROAK-NJAFHUGGSA-N 1 3 322.518 2.601 20 0 DFADHO CSC[C@H](CCO)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357232342 428445699 /nfs/dbraw/zinc/44/56/99/428445699.db2.gz NTBKFALWPOROAK-NJAFHUGGSA-N 1 3 322.518 2.601 20 0 DFADHO N[C@H](C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)C1CC1 ZINC000414888992 428447363 /nfs/dbraw/zinc/44/73/63/428447363.db2.gz FUYSXBFJULUQFZ-QGZVFWFLSA-N 1 3 306.413 2.852 20 0 DFADHO C[C@H](C[NH3+])CN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414885874 428447577 /nfs/dbraw/zinc/44/75/77/428447577.db2.gz XPOOEIXDCPWUEN-MNOVXSKESA-N 1 3 317.355 2.607 20 0 DFADHO C[C@H](CN)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414885874 428447583 /nfs/dbraw/zinc/44/75/83/428447583.db2.gz XPOOEIXDCPWUEN-MNOVXSKESA-N 1 3 317.355 2.607 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000360812224 428450449 /nfs/dbraw/zinc/45/04/49/428450449.db2.gz RERLIUKTXBFCGO-BNEJOLLZSA-N 1 3 305.441 2.643 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000360812224 428450452 /nfs/dbraw/zinc/45/04/52/428450452.db2.gz RERLIUKTXBFCGO-BNEJOLLZSA-N 1 3 305.441 2.643 20 0 DFADHO C[C@@H]([NH3+])C1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000347117743 428454261 /nfs/dbraw/zinc/45/42/61/428454261.db2.gz UWCJUMNCGDHKKD-GFCCVEGCSA-N 1 3 302.447 2.764 20 0 DFADHO C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000414925375 428460749 /nfs/dbraw/zinc/46/07/49/428460749.db2.gz JMYCNDSUAAGHTJ-RWQQGDIJSA-N 1 3 301.478 2.627 20 0 DFADHO COC[C@@]1(C[NH2+][C@@H](C)Cc2ccccc2SC)CCCN1 ZINC000414944669 428466881 /nfs/dbraw/zinc/46/68/81/428466881.db2.gz OIJJWAWDEMGQMG-YOEHRIQHSA-N 1 3 308.491 2.698 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000414950937 428468106 /nfs/dbraw/zinc/46/81/06/428468106.db2.gz PFNORRVOPSDFQZ-DZKIICNBSA-N 1 3 303.450 2.751 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)c1C ZINC000414950937 428468110 /nfs/dbraw/zinc/46/81/10/428468110.db2.gz PFNORRVOPSDFQZ-DZKIICNBSA-N 1 3 303.450 2.751 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414948166 428468348 /nfs/dbraw/zinc/46/83/48/428468348.db2.gz XWLAGHSOEUHHKC-JMSVASOKSA-N 1 3 309.841 2.645 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCNC[C@H]1C ZINC000414948166 428468350 /nfs/dbraw/zinc/46/83/50/428468350.db2.gz XWLAGHSOEUHHKC-JMSVASOKSA-N 1 3 309.841 2.645 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)c1C ZINC000414950939 428468458 /nfs/dbraw/zinc/46/84/58/428468458.db2.gz PFNORRVOPSDFQZ-IJEWVQPXSA-N 1 3 303.450 2.751 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)c1C ZINC000414950939 428468464 /nfs/dbraw/zinc/46/84/64/428468464.db2.gz PFNORRVOPSDFQZ-IJEWVQPXSA-N 1 3 303.450 2.751 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000347031510 428414941 /nfs/dbraw/zinc/41/49/41/428414941.db2.gz CCYXPOSHNMYLGL-GJZGRUSLSA-N 1 3 311.514 2.780 20 0 DFADHO COc1cc(CN[C@H]2CCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000414801058 428417120 /nfs/dbraw/zinc/41/71/20/428417120.db2.gz SYYLXJBIPDIDMZ-RYUDHWBXSA-N 1 3 300.349 2.514 20 0 DFADHO CC(C)(C)C(=O)N1CCC([NH2+]CCNC2CCCCCC2)CC1 ZINC000414804068 428417200 /nfs/dbraw/zinc/41/72/00/428417200.db2.gz KIZWSNHHQPGBEI-UHFFFAOYSA-N 1 3 323.525 2.926 20 0 DFADHO COc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1OC(F)F ZINC000414797783 428417310 /nfs/dbraw/zinc/41/73/10/428417310.db2.gz PNXNTRYXSRIDCH-NEPJUHHUSA-N 1 3 300.349 2.514 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cnc(-c2ccccn2)s1 ZINC000414812167 428419120 /nfs/dbraw/zinc/41/91/20/428419120.db2.gz WZGNFQHRVANNKO-TZMCWYRMSA-N 1 3 302.447 2.812 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])C2CC2)cc1Cl ZINC000414812197 428419217 /nfs/dbraw/zinc/41/92/17/428419217.db2.gz XCGNQIKUHWTRGU-IAQYHMDHSA-N 1 3 309.841 2.692 20 0 DFADHO C[C@H](CC(=O)N1CCCCCC1)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000414809938 428419881 /nfs/dbraw/zinc/41/98/81/428419881.db2.gz HITZJAKHSILKIW-CVEARBPZSA-N 1 3 317.477 2.977 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000414821645 428424597 /nfs/dbraw/zinc/42/45/97/428424597.db2.gz BGVXIVLVACMYAY-JKSUJKDBSA-N 1 3 303.450 2.610 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCNC2)c(C)c1 ZINC000414821645 428424602 /nfs/dbraw/zinc/42/46/02/428424602.db2.gz BGVXIVLVACMYAY-JKSUJKDBSA-N 1 3 303.450 2.610 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000414821643 428425593 /nfs/dbraw/zinc/42/55/93/428425593.db2.gz BGVXIVLVACMYAY-HOTGVXAUSA-N 1 3 303.450 2.610 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCNC2)c(C)c1 ZINC000414821643 428425598 /nfs/dbraw/zinc/42/55/98/428425598.db2.gz BGVXIVLVACMYAY-HOTGVXAUSA-N 1 3 303.450 2.610 20 0 DFADHO CSC1(CNCc2cn(C)nc2C(C)(C)C)CC[NH+](C)CC1 ZINC000353208233 428430754 /nfs/dbraw/zinc/43/07/54/428430754.db2.gz JAAVYFHEIRUDMM-UHFFFAOYSA-N 1 3 324.538 2.635 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1(N)CCCCC1 ZINC000414837890 428431140 /nfs/dbraw/zinc/43/11/40/428431140.db2.gz HHNLLOBCATXBNO-SJLPKXTDSA-N 1 3 301.478 2.758 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCC1([NH3+])CCCCC1 ZINC000414837890 428431144 /nfs/dbraw/zinc/43/11/44/428431144.db2.gz HHNLLOBCATXBNO-SJLPKXTDSA-N 1 3 301.478 2.758 20 0 DFADHO CNC[C@@H](C)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414847631 428433192 /nfs/dbraw/zinc/43/31/92/428433192.db2.gz WCOWXYGYOIXWNI-CQSZACIVSA-N 1 3 309.885 2.750 20 0 DFADHO C[NH2+]C[C@@H](C)CNC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414847631 428433198 /nfs/dbraw/zinc/43/31/98/428433198.db2.gz WCOWXYGYOIXWNI-CQSZACIVSA-N 1 3 309.885 2.750 20 0 DFADHO COCC[N@H+](C)CCCN[C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353317942 428482768 /nfs/dbraw/zinc/48/27/68/428482768.db2.gz ZBNKTSFHCGUXAT-SFHVURJKSA-N 1 3 320.477 2.976 20 0 DFADHO COCC[N@@H+](C)CCCN[C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353317942 428482774 /nfs/dbraw/zinc/48/27/74/428482774.db2.gz ZBNKTSFHCGUXAT-SFHVURJKSA-N 1 3 320.477 2.976 20 0 DFADHO CC(C)N1CCc2nc(CN[C@H](C)CCCC[NH3+])sc2C1 ZINC000415006839 428488406 /nfs/dbraw/zinc/48/84/06/428488406.db2.gz AMYYZPZFMNVFLE-CYBMUJFWSA-N 1 3 310.511 2.517 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CNCCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000415008009 428488441 /nfs/dbraw/zinc/48/84/41/428488441.db2.gz VLJKWJHOFMYBPG-DJIMGWMZSA-N 1 3 323.431 2.626 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CNCCC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000415008009 428488444 /nfs/dbraw/zinc/48/84/44/428488444.db2.gz VLJKWJHOFMYBPG-DJIMGWMZSA-N 1 3 323.431 2.626 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CCCOC3)CC2)C[C@@H](C)O1 ZINC000342922424 428490404 /nfs/dbraw/zinc/49/04/04/428490404.db2.gz WHDFEYCMHUOQJQ-ZHALLVOQSA-N 1 3 324.509 2.624 20 0 DFADHO COc1ccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Cl)c1OC ZINC000415015307 428491802 /nfs/dbraw/zinc/49/18/02/428491802.db2.gz YFHGODUMKRWRRM-UONOGXRCSA-N 1 3 324.852 2.835 20 0 DFADHO c1cn(-c2ccc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)cn1 ZINC000415035642 428494911 /nfs/dbraw/zinc/49/49/11/428494911.db2.gz DXYSCHHNODEASE-PKOBYXMFSA-N 1 3 310.445 2.836 20 0 DFADHO CCc1cccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000372740266 428498291 /nfs/dbraw/zinc/49/82/91/428498291.db2.gz MFMDKIINDAHUKY-FQEVSTJZSA-N 1 3 315.505 2.849 20 0 DFADHO CCc1cccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000372740266 428498296 /nfs/dbraw/zinc/49/82/96/428498296.db2.gz MFMDKIINDAHUKY-FQEVSTJZSA-N 1 3 315.505 2.849 20 0 DFADHO COc1ccc(C2CCC(NC[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000415042637 428498718 /nfs/dbraw/zinc/49/87/18/428498718.db2.gz QTXHVCKQAIIOOY-GXOAENINSA-N 1 3 318.461 2.690 20 0 DFADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CN)C2)c(-c2cnn(C)c2)c1 ZINC000415049612 428500642 /nfs/dbraw/zinc/50/06/42/428500642.db2.gz DRQLBFOKOQFHQY-DNVCBOLYSA-N 1 3 312.461 2.812 20 0 DFADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c(-c2cnn(C)c2)c1 ZINC000415049612 428500649 /nfs/dbraw/zinc/50/06/49/428500649.db2.gz DRQLBFOKOQFHQY-DNVCBOLYSA-N 1 3 312.461 2.812 20 0 DFADHO Cc1ccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000415049612 428500654 /nfs/dbraw/zinc/50/06/54/428500654.db2.gz DRQLBFOKOQFHQY-DNVCBOLYSA-N 1 3 312.461 2.812 20 0 DFADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(O)(C[NH3+])CC1 ZINC000396961392 428507127 /nfs/dbraw/zinc/50/71/27/428507127.db2.gz BYYILYFAABRHSB-LLVKDONJSA-N 1 3 302.340 2.552 20 0 DFADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000397338209 428508636 /nfs/dbraw/zinc/50/86/36/428508636.db2.gz CLDUSZJNSPYPAX-MGPQQGTHSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1CN ZINC000397338209 428508640 /nfs/dbraw/zinc/50/86/40/428508640.db2.gz CLDUSZJNSPYPAX-MGPQQGTHSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1CN ZINC000397338209 428508643 /nfs/dbraw/zinc/50/86/43/428508643.db2.gz CLDUSZJNSPYPAX-MGPQQGTHSA-N 1 3 323.868 2.974 20 0 DFADHO COc1ccc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000415075759 428509854 /nfs/dbraw/zinc/50/98/54/428509854.db2.gz ACBJQKPFHNCIRD-KURKYZTESA-N 1 3 304.434 2.584 20 0 DFADHO C[C@@H](NCC1(c2ccccc2Cl)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000415074946 428510669 /nfs/dbraw/zinc/51/06/69/428510669.db2.gz DCRMSGHTCIEMAA-CABCVRRESA-N 1 3 322.880 2.976 20 0 DFADHO CC1CCN([C@H](CN[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000415074905 428510700 /nfs/dbraw/zinc/51/07/00/428510700.db2.gz AYWBFNBJAYSYEH-JKSUJKDBSA-N 1 3 307.507 2.863 20 0 DFADHO COc1ccc(CCCN[C@@H](C)C[C@@H]2CCC[NH2+]2)cc1OC ZINC000415077025 428513001 /nfs/dbraw/zinc/51/30/01/428513001.db2.gz DORXXSNKSRLMEJ-HOCLYGCPSA-N 1 3 306.450 2.757 20 0 DFADHO C[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000343085279 428518010 /nfs/dbraw/zinc/51/80/10/428518010.db2.gz NLLCAPGEWWZCIS-IXDOHACOSA-N 1 3 321.509 2.725 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000398084367 428518464 /nfs/dbraw/zinc/51/84/64/428518464.db2.gz SXNMURRJYRLERS-NVXWUHKLSA-N 1 3 317.477 2.531 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC000415131062 428532179 /nfs/dbraw/zinc/53/21/79/428532179.db2.gz YKNBJHIZQQLEEF-LVLPYEQSSA-N 1 3 300.446 2.918 20 0 DFADHO COCc1cccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415106362 428521175 /nfs/dbraw/zinc/52/11/75/428521175.db2.gz JHNYPJZFNPJOGT-RTBURBONSA-N 1 3 318.461 2.551 20 0 DFADHO CCN1CCN(c2cccc(NC[C@@H]([NH3+])CC(C)C)c2)CC1 ZINC000415107479 428521655 /nfs/dbraw/zinc/52/16/55/428521655.db2.gz OXRBYVFPMYXRHF-INIZCTEOSA-N 1 3 304.482 2.614 20 0 DFADHO COc1cc(OC)c(OC)cc1CNC1CCC([NH+](C)C)CC1 ZINC000353403883 428522964 /nfs/dbraw/zinc/52/29/64/428522964.db2.gz MYGKUTQVMCBQIQ-UHFFFAOYSA-N 1 3 322.449 2.675 20 0 DFADHO CCN1CCN(c2cccc(NC[C@H]3CC[NH2+][C@H](C)C3)c2)CC1 ZINC000415116176 428526069 /nfs/dbraw/zinc/52/60/69/428526069.db2.gz ZFEWNCKDTGKJBB-SJORKVTESA-N 1 3 316.493 2.629 20 0 DFADHO c1sc(-c2ccccn2)nc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414976019 428478212 /nfs/dbraw/zinc/47/82/12/428478212.db2.gz PJVMZLYFQZDSFE-ZDUSSCGKSA-N 1 3 302.447 2.827 20 0 DFADHO CC[C@H](N)C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414975273 428478472 /nfs/dbraw/zinc/47/84/72/428478472.db2.gz FZAWMLYBGHJZFN-LBPRGKRZSA-N 1 3 312.339 2.718 20 0 DFADHO C[NH+](C)CCOC1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000353546912 428587679 /nfs/dbraw/zinc/58/76/79/428587679.db2.gz XSIQTNINNGREEE-UHFFFAOYSA-N 1 3 313.445 2.777 20 0 DFADHO Cc1ccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1Cl ZINC000415140452 428536856 /nfs/dbraw/zinc/53/68/56/428536856.db2.gz NLDGIHYPZIFJOV-WBVHZDCISA-N 1 3 320.864 2.849 20 0 DFADHO CC(C)[C@H](CN(C)Cc1ccccc1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400337548 428543567 /nfs/dbraw/zinc/54/35/67/428543567.db2.gz DRTCNDVXWIBTMX-UHOSZYNNSA-N 1 3 303.494 2.731 20 0 DFADHO C[C@@H](NCCc1ccc(Br)s1)[C@@H]1CC[NH2+]C1 ZINC000400360519 428544242 /nfs/dbraw/zinc/54/42/42/428544242.db2.gz NLNRRQUURLLENQ-NXEZZACHSA-N 1 3 303.269 2.641 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400502404 428545420 /nfs/dbraw/zinc/54/54/20/428545420.db2.gz IXGXWBJMQPWEBR-BZPMIXESSA-N 1 3 311.267 2.968 20 0 DFADHO Cc1[nH+]c2ccccc2c(NCCN2CCSCC2)c1C ZINC000343518090 428551642 /nfs/dbraw/zinc/55/16/42/428551642.db2.gz YBOCQAGTMUWEAS-UHFFFAOYSA-N 1 3 301.459 2.734 20 0 DFADHO CC(C)N(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000361328774 428558005 /nfs/dbraw/zinc/55/80/05/428558005.db2.gz QYKBXJYYPFGGOB-IEBWSBKVSA-N 1 3 303.494 2.969 20 0 DFADHO CC[C@@H](C[NH+]1CCC(N(C)CCCO)CC1)c1ccccc1 ZINC000353503319 428567770 /nfs/dbraw/zinc/56/77/70/428567770.db2.gz IGOWALFMUMIGJV-KRWDZBQOSA-N 1 3 304.478 2.959 20 0 DFADHO C[N@@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)[C@@H]2CCC[C@@H]21 ZINC000353498750 428567937 /nfs/dbraw/zinc/56/79/37/428567937.db2.gz BLVMAXFSZVHFNQ-UFYCRDLUSA-N 1 3 324.472 2.877 20 0 DFADHO C[N@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)[C@@H]2CCC[C@@H]21 ZINC000353498750 428567941 /nfs/dbraw/zinc/56/79/41/428567941.db2.gz BLVMAXFSZVHFNQ-UFYCRDLUSA-N 1 3 324.472 2.877 20 0 DFADHO C[N@@H+]1CC[C@H](NCCN2CCc3sccc3C2)[C@@H]2CCC[C@H]21 ZINC000353501042 428568330 /nfs/dbraw/zinc/56/83/30/428568330.db2.gz HQHBDYYSQVWNPJ-YESZJQIVSA-N 1 3 319.518 2.569 20 0 DFADHO C[N@H+]1CC[C@H](NCCN2CCc3sccc3C2)[C@@H]2CCC[C@H]21 ZINC000353501042 428568335 /nfs/dbraw/zinc/56/83/35/428568335.db2.gz HQHBDYYSQVWNPJ-YESZJQIVSA-N 1 3 319.518 2.569 20 0 DFADHO Cc1ncc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(C)n1 ZINC000358032951 428577664 /nfs/dbraw/zinc/57/76/64/428577664.db2.gz DSGBYCPFGMZWMV-ZNMIVQPWSA-N 1 3 320.481 2.633 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000407300414 428580151 /nfs/dbraw/zinc/58/01/51/428580151.db2.gz BTGKNTZZKINBBW-ZWKOTPCHSA-N 1 3 315.461 2.998 20 0 DFADHO CC(C)N(C)C[C@H](C)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000353574145 428602962 /nfs/dbraw/zinc/60/29/62/428602962.db2.gz WNKWJMKDIRVBKM-KRWDZBQOSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000361970010 428608592 /nfs/dbraw/zinc/60/85/92/428608592.db2.gz FEASUMZQBDYZOG-DFEOGRTESA-N 1 3 315.505 2.683 20 0 DFADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H](N3CCCC3)C2)CCCCC1 ZINC000358622183 428610520 /nfs/dbraw/zinc/61/05/20/428610520.db2.gz AHOSLMQHQOZZBO-QGZVFWFLSA-N 1 3 321.509 2.585 20 0 DFADHO Cc1nccn1CCN1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000347585533 428614183 /nfs/dbraw/zinc/61/41/83/428614183.db2.gz HMROVDXVJMTTLI-IAGOWNOFSA-N 1 3 312.461 2.786 20 0 DFADHO Cc1nccn1CCN1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000347585533 428614188 /nfs/dbraw/zinc/61/41/88/428614188.db2.gz HMROVDXVJMTTLI-IAGOWNOFSA-N 1 3 312.461 2.786 20 0 DFADHO Cc1nccn1CC[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347585533 428614196 /nfs/dbraw/zinc/61/41/96/428614196.db2.gz HMROVDXVJMTTLI-IAGOWNOFSA-N 1 3 312.461 2.786 20 0 DFADHO Cc1nccn1CC[N@@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347585533 428614201 /nfs/dbraw/zinc/61/42/01/428614201.db2.gz HMROVDXVJMTTLI-IAGOWNOFSA-N 1 3 312.461 2.786 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000353611810 428620574 /nfs/dbraw/zinc/62/05/74/428620574.db2.gz FRLWAEZYGCOJMD-BZSNNMDCSA-N 1 3 315.461 2.975 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccccc2-n2cccn2)[C@@H]2CCC[C@H]21 ZINC000353622605 428625970 /nfs/dbraw/zinc/62/59/70/428625970.db2.gz OLUSSWDDFOWAGK-JENIJYKNSA-N 1 3 310.445 2.835 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccccc2-n2cccn2)[C@@H]2CCC[C@H]21 ZINC000353622605 428625972 /nfs/dbraw/zinc/62/59/72/428625972.db2.gz OLUSSWDDFOWAGK-JENIJYKNSA-N 1 3 310.445 2.835 20 0 DFADHO COCCC[NH+]1CCC(N[C@H]2CCc3c2cccc3OC)CC1 ZINC000360821945 274019857 /nfs/dbraw/zinc/01/98/57/274019857.db2.gz NTKDSGBMZVLEDB-SFHVURJKSA-N 1 3 318.461 2.773 20 0 DFADHO COCC[C@H](COC)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000353649778 428639198 /nfs/dbraw/zinc/63/91/98/428639198.db2.gz ORFOPARTUMYOND-CGTJXYLNSA-N 1 3 312.498 2.671 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)CCN1Cc1ccccc1 ZINC000353652345 428640832 /nfs/dbraw/zinc/64/08/32/428640832.db2.gz WIOCEMDAIJCGAC-NXHRZFHOSA-N 1 3 324.472 2.910 20 0 DFADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCCOc1ccccc1 ZINC000362219013 428663576 /nfs/dbraw/zinc/66/35/76/428663576.db2.gz JVRZVOGQWOYAOZ-QRQLOZEOSA-N 1 3 318.461 2.544 20 0 DFADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCCOc1ccccc1 ZINC000362219013 428663583 /nfs/dbraw/zinc/66/35/83/428663583.db2.gz JVRZVOGQWOYAOZ-QRQLOZEOSA-N 1 3 318.461 2.544 20 0 DFADHO CC(C)N1CCCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416146929 428676490 /nfs/dbraw/zinc/67/64/90/428676490.db2.gz QJCXGZSPQLEFBJ-GOSISDBHSA-N 1 3 317.477 2.622 20 0 DFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000362312197 428698140 /nfs/dbraw/zinc/69/81/40/428698140.db2.gz HZRDIXVNUPZHKD-MSOLQXFVSA-N 1 3 323.525 2.687 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@H](O)COC(C)(C)C ZINC000348301224 428700576 /nfs/dbraw/zinc/70/05/76/428700576.db2.gz GBBOUIVIYZQEAY-YESZJQIVSA-N 1 3 314.514 2.653 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000348301224 428700580 /nfs/dbraw/zinc/70/05/80/428700580.db2.gz GBBOUIVIYZQEAY-YESZJQIVSA-N 1 3 314.514 2.653 20 0 DFADHO CN(C)[C@@H](CC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000416253136 428702348 /nfs/dbraw/zinc/70/23/48/428702348.db2.gz QNPAYKVNJTYJBB-WMZOPIPTSA-N 1 3 317.477 2.528 20 0 DFADHO CN(C)[C@@H](CC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000416253136 428702352 /nfs/dbraw/zinc/70/23/52/428702352.db2.gz QNPAYKVNJTYJBB-WMZOPIPTSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCN[C@@H]2CCCc3nn(C)cc32)C1 ZINC000358913647 428729274 /nfs/dbraw/zinc/72/92/74/428729274.db2.gz ITHXXKCDUWAVNH-NVXWUHKLSA-N 1 3 304.482 2.899 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCN[C@@H]2CCCc3nn(C)cc32)C1 ZINC000358913647 428729280 /nfs/dbraw/zinc/72/92/80/428729280.db2.gz ITHXXKCDUWAVNH-NVXWUHKLSA-N 1 3 304.482 2.899 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416232391 428694648 /nfs/dbraw/zinc/69/46/48/428694648.db2.gz FOAJIJHLEJJFCX-RDJZCZTQSA-N 1 3 305.466 2.524 20 0 DFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416232391 428694653 /nfs/dbraw/zinc/69/46/53/428694653.db2.gz FOAJIJHLEJJFCX-RDJZCZTQSA-N 1 3 305.466 2.524 20 0 DFADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCC3(O)CCOCC3)CC2)C1 ZINC000353866530 428753260 /nfs/dbraw/zinc/75/32/60/428753260.db2.gz MWCZHRARMQOSHP-FUHWJXTLSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCC3(O)CCOCC3)CC2)C1 ZINC000353866530 428753264 /nfs/dbraw/zinc/75/32/64/428753264.db2.gz MWCZHRARMQOSHP-FUHWJXTLSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCC3(O)CCOCC3)CC2)C1 ZINC000353866535 428754661 /nfs/dbraw/zinc/75/46/61/428754661.db2.gz MWCZHRARMQOSHP-SJLPKXTDSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCC3(O)CCOCC3)CC2)C1 ZINC000353866535 428754665 /nfs/dbraw/zinc/75/46/65/428754665.db2.gz MWCZHRARMQOSHP-SJLPKXTDSA-N 1 3 324.509 2.551 20 0 DFADHO CN1CC=C(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000345145056 428771471 /nfs/dbraw/zinc/77/14/71/428771471.db2.gz RTOOZVOUKRXDCF-LJQANCHMSA-N 1 3 316.445 2.596 20 0 DFADHO COC(=O)C(C)(C)CCNC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000353911917 428774227 /nfs/dbraw/zinc/77/42/27/428774227.db2.gz HGNDPGDLLJEQLL-MRXNPFEDSA-N 1 3 312.498 2.922 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cccc(C)n2)[C@@H](C)C1 ZINC000359018766 428775623 /nfs/dbraw/zinc/77/56/23/428775623.db2.gz YZPOWTDHMRXMJV-LPHOPBHVSA-N 1 3 319.493 2.659 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCc2cccc(C)n2)[C@@H](C)C1 ZINC000359018766 428775627 /nfs/dbraw/zinc/77/56/27/428775627.db2.gz YZPOWTDHMRXMJV-LPHOPBHVSA-N 1 3 319.493 2.659 20 0 DFADHO CCc1cccc(F)c1C[NH2+]C[C@@H](C)N1CCN(CC)CC1 ZINC000353918874 428777314 /nfs/dbraw/zinc/77/73/14/428777314.db2.gz UVASWSFAYCLEJP-OAHLLOKOSA-N 1 3 307.457 2.504 20 0 DFADHO Cc1cc(CCNC2CC[NH+](CCc3ccccc3)CC2)on1 ZINC000353947050 428789941 /nfs/dbraw/zinc/78/99/41/428789941.db2.gz KWOJHVQMYFRUMP-UHFFFAOYSA-N 1 3 313.445 2.822 20 0 DFADHO C[C@H](N[C@H](CO)CC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348443525 428745280 /nfs/dbraw/zinc/74/52/80/428745280.db2.gz XNUXENYAVZGKSU-IMJJTQAJSA-N 1 3 312.404 2.503 20 0 DFADHO C[C@H](N[C@H](CO)CC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348443525 428745283 /nfs/dbraw/zinc/74/52/83/428745283.db2.gz XNUXENYAVZGKSU-IMJJTQAJSA-N 1 3 312.404 2.503 20 0 DFADHO CC(C)OC(=O)CC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000374785276 428750018 /nfs/dbraw/zinc/75/00/18/428750018.db2.gz UUDLJRXVKOFHEH-UHFFFAOYSA-N 1 3 319.449 2.572 20 0 DFADHO CC(C)OC(=O)CC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000374785276 428750021 /nfs/dbraw/zinc/75/00/21/428750021.db2.gz UUDLJRXVKOFHEH-UHFFFAOYSA-N 1 3 319.449 2.572 20 0 DFADHO COCCOCCN(C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411738364 428849395 /nfs/dbraw/zinc/84/93/95/428849395.db2.gz TVGBACYUJHBKCO-UHFFFAOYSA-N 1 3 320.477 2.767 20 0 DFADHO COCC[NH+]1CCC(NCc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362928958 428813442 /nfs/dbraw/zinc/81/34/42/428813442.db2.gz YLEPNXVXRKHQRF-UHFFFAOYSA-N 1 3 305.397 2.507 20 0 DFADHO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000375171241 428817221 /nfs/dbraw/zinc/81/72/21/428817221.db2.gz NMCVMRQBPWRWPH-IRXDYDNUSA-N 1 3 321.465 2.757 20 0 DFADHO Cc1noc(C)c1CO[C@H]1CC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000375171241 428817228 /nfs/dbraw/zinc/81/72/28/428817228.db2.gz NMCVMRQBPWRWPH-IRXDYDNUSA-N 1 3 321.465 2.757 20 0 DFADHO CC(=O)N1CCC([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000359116729 428824899 /nfs/dbraw/zinc/82/48/99/428824899.db2.gz QRWDKFSYUNGOOF-DNVCBOLYSA-N 1 3 321.509 2.630 20 0 DFADHO CC(=O)N1CCC(NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000359116729 428824903 /nfs/dbraw/zinc/82/49/03/428824903.db2.gz QRWDKFSYUNGOOF-DNVCBOLYSA-N 1 3 321.509 2.630 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@H]2CCC(C)C)CC1 ZINC000411607768 428825382 /nfs/dbraw/zinc/82/53/82/428825382.db2.gz KERZYBBYOCNQPA-FUHWJXTLSA-N 1 3 323.525 2.781 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc3c(c2)CCO3)C1 ZINC000354101900 428862381 /nfs/dbraw/zinc/86/23/81/428862381.db2.gz XCYBLABIVZTBBG-GOSISDBHSA-N 1 3 318.461 2.554 20 0 DFADHO C[NH+](C)CCOCCNCc1ccc(-c2ccncc2)cc1F ZINC000354202223 428911463 /nfs/dbraw/zinc/91/14/63/428911463.db2.gz ARWORSNNGRLGIV-UHFFFAOYSA-N 1 3 317.408 2.556 20 0 DFADHO C[C@H]1OCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354174346 428899619 /nfs/dbraw/zinc/89/96/19/428899619.db2.gz XCNQNKFNMJDUGX-JUFRUHRKSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@H]1OCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354174346 428899622 /nfs/dbraw/zinc/89/96/22/428899622.db2.gz XCNQNKFNMJDUGX-JUFRUHRKSA-N 1 3 300.446 2.949 20 0 DFADHO CC(=O)Nc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000375514344 428901473 /nfs/dbraw/zinc/90/14/73/428901473.db2.gz YBWBASYYSBFYHT-UHFFFAOYSA-N 1 3 301.434 2.705 20 0 DFADHO CC(=O)Nc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000375514344 428901478 /nfs/dbraw/zinc/90/14/78/428901478.db2.gz YBWBASYYSBFYHT-UHFFFAOYSA-N 1 3 301.434 2.705 20 0 DFADHO CC(=O)Nc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1 ZINC000375514344 428901485 /nfs/dbraw/zinc/90/14/85/428901485.db2.gz YBWBASYYSBFYHT-UHFFFAOYSA-N 1 3 301.434 2.705 20 0 DFADHO CC(C)c1nccn1C[C@H]1CCCN1CCC[NH+]1CCCC1 ZINC000363478684 428926160 /nfs/dbraw/zinc/92/61/60/428926160.db2.gz NAKKQDGGAQKYST-QGZVFWFLSA-N 1 3 304.482 2.957 20 0 DFADHO CC(C)c1nccn1C[C@H]1CCC[N@@H+]1CCCN1CCCC1 ZINC000363478684 428926165 /nfs/dbraw/zinc/92/61/65/428926165.db2.gz NAKKQDGGAQKYST-QGZVFWFLSA-N 1 3 304.482 2.957 20 0 DFADHO CC(C)c1nccn1C[C@H]1CCC[N@H+]1CCCN1CCCC1 ZINC000363478684 428926170 /nfs/dbraw/zinc/92/61/70/428926170.db2.gz NAKKQDGGAQKYST-QGZVFWFLSA-N 1 3 304.482 2.957 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375782952 428971488 /nfs/dbraw/zinc/97/14/88/428971488.db2.gz PEJUYUXLBGTHPB-ZWQIFLOQSA-N 1 3 318.461 2.925 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375782952 428971497 /nfs/dbraw/zinc/97/14/97/428971497.db2.gz PEJUYUXLBGTHPB-ZWQIFLOQSA-N 1 3 318.461 2.925 20 0 DFADHO Cc1cc(C)nc(C2CC[NH+](CC[C@H]3CCCN3C)CC2)n1 ZINC000375700431 428944999 /nfs/dbraw/zinc/94/49/99/428944999.db2.gz FULBTNDPKHMCJU-QGZVFWFLSA-N 1 3 302.466 2.757 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CCCCF)CC2)C[C@H](C)O1 ZINC000375715083 428950254 /nfs/dbraw/zinc/95/02/54/428950254.db2.gz AOWIUBVPIIBYNI-IYBDPMFKSA-N 1 3 300.462 2.947 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1 ZINC000375717146 428950895 /nfs/dbraw/zinc/95/08/95/428950895.db2.gz FLCYQZXWTZMUFL-SJLPKXTDSA-N 1 3 301.478 2.548 20 0 DFADHO C[C@@H]1CCC[C@@H](CCN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000363615487 428955008 /nfs/dbraw/zinc/95/50/08/428955008.db2.gz JLBILFIDQWDEKV-CEXWTWQISA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1CCC[C@@H](CCN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000363615487 428955014 /nfs/dbraw/zinc/95/50/14/428955014.db2.gz JLBILFIDQWDEKV-CEXWTWQISA-N 1 3 307.526 2.915 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@@H](O)c1ccc(Cl)cc1)C2 ZINC000375762482 428962693 /nfs/dbraw/zinc/96/26/93/428962693.db2.gz YNBCUDPBDSQWQI-FCLJQHQZSA-N 1 3 308.853 2.930 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@@H](O)c1ccc(Cl)cc1)C2 ZINC000375762482 428962696 /nfs/dbraw/zinc/96/26/96/428962696.db2.gz YNBCUDPBDSQWQI-FCLJQHQZSA-N 1 3 308.853 2.930 20 0 DFADHO Cc1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)cc1C ZINC000349321417 428962836 /nfs/dbraw/zinc/96/28/36/428962836.db2.gz XPFBDXKDOLXMBD-GOSISDBHSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)cc1C ZINC000349321417 428962841 /nfs/dbraw/zinc/96/28/41/428962841.db2.gz XPFBDXKDOLXMBD-GOSISDBHSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000349321417 428962843 /nfs/dbraw/zinc/96/28/43/428962843.db2.gz XPFBDXKDOLXMBD-GOSISDBHSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000423779665 429015887 /nfs/dbraw/zinc/01/58/87/429015887.db2.gz FMLSJBWHMWBAEL-WMZOPIPTSA-N 1 3 303.450 2.903 20 0 DFADHO CCO[C@@H]1COCC[C@@H]1[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000354984683 429023119 /nfs/dbraw/zinc/02/31/19/429023119.db2.gz QCOOACCCTZHYQD-OQIJWPOYSA-N 1 3 324.509 2.813 20 0 DFADHO C[N@H+](C[C@H]1CCC(C)(C)O1)C1CCN(C2CCOCC2)CC1 ZINC000375969873 429030038 /nfs/dbraw/zinc/03/00/38/429030038.db2.gz SNEFQRUYAFYQEM-QGZVFWFLSA-N 1 3 310.482 2.519 20 0 DFADHO C[N@@H+](C[C@H]1CCC(C)(C)O1)C1CCN(C2CCOCC2)CC1 ZINC000375969873 429030043 /nfs/dbraw/zinc/03/00/43/429030043.db2.gz SNEFQRUYAFYQEM-QGZVFWFLSA-N 1 3 310.482 2.519 20 0 DFADHO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000349384255 428979535 /nfs/dbraw/zinc/97/95/35/428979535.db2.gz WGVLVCPONYWKJS-HXHJPBPVSA-N 1 3 306.450 2.605 20 0 DFADHO Cc1cc(C)cc([C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000375842566 428992434 /nfs/dbraw/zinc/99/24/34/428992434.db2.gz WAZHSCGEMGICIM-WJFTUGDTSA-N 1 3 302.462 2.799 20 0 DFADHO Cc1cc(C)cc([C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000375842566 428992436 /nfs/dbraw/zinc/99/24/36/428992436.db2.gz WAZHSCGEMGICIM-WJFTUGDTSA-N 1 3 302.462 2.799 20 0 DFADHO C[NH+](C)CC1CCC(NC(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000423752276 429010022 /nfs/dbraw/zinc/01/00/22/429010022.db2.gz VXYKFTYJHAACIJ-OFLPRAFFSA-N 1 3 309.498 2.521 20 0 DFADHO CCc1ccc([C@H](O)CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375897131 429010571 /nfs/dbraw/zinc/01/05/71/429010571.db2.gz DJEKRPFJFNDABN-ZSYWTGECSA-N 1 3 302.462 2.745 20 0 DFADHO CCc1ccc([C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375897131 429010576 /nfs/dbraw/zinc/01/05/76/429010576.db2.gz DJEKRPFJFNDABN-ZSYWTGECSA-N 1 3 302.462 2.745 20 0 DFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000423761367 429011179 /nfs/dbraw/zinc/01/11/79/429011179.db2.gz OLUPTXUQRQLIKL-HDMKZQKVSA-N 1 3 317.477 2.511 20 0 DFADHO CN(C)CCN(CC1CCCCC1)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000423762450 429011908 /nfs/dbraw/zinc/01/19/08/429011908.db2.gz QHZMYRRVCQEIEB-QGZVFWFLSA-N 1 3 323.525 2.737 20 0 DFADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423450433 429089335 /nfs/dbraw/zinc/08/93/35/429089335.db2.gz SXIQKMLQLLGRPY-UTLUCORTSA-N 1 3 318.202 2.678 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000423448013 429089717 /nfs/dbraw/zinc/08/97/17/429089717.db2.gz POYPHQWWFQWSME-MCIONIFRSA-N 1 3 306.454 2.947 20 0 DFADHO Cc1c([C@H](C)NC[C@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccccc1 ZINC000423456807 429090971 /nfs/dbraw/zinc/09/09/71/429090971.db2.gz HGLNSQQGTZQWQU-CWRNSKLLSA-N 1 3 313.449 2.744 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCc2cc(C)cc(N)c2)[C@H](C)C1 ZINC000423473374 429092565 /nfs/dbraw/zinc/09/25/65/429092565.db2.gz HCDCIPPECLXVBS-APWZRJJASA-N 1 3 319.493 2.804 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCc2cc(C)cc(N)c2)[C@H](C)C1 ZINC000423473374 429092570 /nfs/dbraw/zinc/09/25/70/429092570.db2.gz HCDCIPPECLXVBS-APWZRJJASA-N 1 3 319.493 2.804 20 0 DFADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000423475729 429094862 /nfs/dbraw/zinc/09/48/62/429094862.db2.gz RYUHVCDSQBZRQE-ZFWWWQNUSA-N 1 3 306.454 2.948 20 0 DFADHO Cc1cc(N)cc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423481250 429096278 /nfs/dbraw/zinc/09/62/78/429096278.db2.gz PZTXFLIEUHWGMK-AZUAARDMSA-N 1 3 323.440 2.923 20 0 DFADHO COc1ccc([C@H]([NH2+]CC2(O)CCN(C)CC2)C(C)C)c(F)c1 ZINC000421831013 429036418 /nfs/dbraw/zinc/03/64/18/429036418.db2.gz KTZDGFYYONHEIM-QGZVFWFLSA-N 1 3 324.440 2.578 20 0 DFADHO CO[C@@H]1CCCC[C@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969991 429052461 /nfs/dbraw/zinc/05/24/61/429052461.db2.gz VOILQYITEMMRJQ-UKBAYJJMSA-N 1 3 316.445 2.790 20 0 DFADHO c1ccc2nc(NCCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422923504 429052837 /nfs/dbraw/zinc/05/28/37/429052837.db2.gz WJMGHMKHKZPIGZ-UHOSZYNNSA-N 1 3 324.472 3.157 20 0 DFADHO FC(F)(F)[C@@H]1C[C@H]([NH2+]CCNC2CCCCCC2)CCO1 ZINC000423280543 429055913 /nfs/dbraw/zinc/05/59/13/429055913.db2.gz SWGLMQOIYDDSPC-KGLIPLIRSA-N 1 3 308.388 2.998 20 0 DFADHO CCCC[C@H](C[NH3+])N[C@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000423303344 429060763 /nfs/dbraw/zinc/06/07/63/429060763.db2.gz WXKWBYWODVTGGJ-BHIYHBOVSA-N 1 3 319.493 2.556 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423318639 429063086 /nfs/dbraw/zinc/06/30/86/429063086.db2.gz CRKKXADVAJOQEW-ZACQAIPSSA-N 1 3 323.525 2.639 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423318634 429063664 /nfs/dbraw/zinc/06/36/64/429063664.db2.gz CRKKXADVAJOQEW-BBWFWOEESA-N 1 3 323.525 2.639 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423318634 429063671 /nfs/dbraw/zinc/06/36/71/429063671.db2.gz CRKKXADVAJOQEW-BBWFWOEESA-N 1 3 323.525 2.639 20 0 DFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000423325506 429065566 /nfs/dbraw/zinc/06/55/66/429065566.db2.gz IVCUVIVIZPUKQS-QAPCUYQASA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000423325506 429065572 /nfs/dbraw/zinc/06/55/72/429065572.db2.gz IVCUVIVIZPUKQS-QAPCUYQASA-N 1 3 317.477 2.531 20 0 DFADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(F)cc1OC(F)F ZINC000423331095 429065585 /nfs/dbraw/zinc/06/55/85/429065585.db2.gz CGOQJZYAUMTHSZ-SNVBAGLBSA-N 1 3 300.324 2.997 20 0 DFADHO CC[NH+](CC)CCCCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423330358 429065682 /nfs/dbraw/zinc/06/56/82/429065682.db2.gz NPRWYCIQNBFSHT-KRWDZBQOSA-N 1 3 319.493 2.951 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423325526 429065809 /nfs/dbraw/zinc/06/58/09/429065809.db2.gz QBZAGFLEDZEICC-GUYCJALGSA-N 1 3 318.465 2.948 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1 ZINC000423329577 429066424 /nfs/dbraw/zinc/06/64/24/429066424.db2.gz MVTSHFJSKMCJKC-RBSFLKMASA-N 1 3 303.450 2.557 20 0 DFADHO [NH3+][C@H](CN[C@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000423334591 429067747 /nfs/dbraw/zinc/06/77/47/429067747.db2.gz WTKQOIDDWUBVAF-SWLSCSKDSA-N 1 3 309.251 2.633 20 0 DFADHO COc1ccc([C@@H](Cc2ccncc2)NCC2=CC[NH2+]CC2)cc1 ZINC000423357025 429071710 /nfs/dbraw/zinc/07/17/10/429071710.db2.gz RRJAFWSTYZHFPJ-HXUWFJFHSA-N 1 3 323.440 2.883 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000423362494 429072720 /nfs/dbraw/zinc/07/27/20/429072720.db2.gz IDHPOCGGVSDXRC-OAHLLOKOSA-N 1 3 315.461 2.797 20 0 DFADHO c1c2c(nn1-c1ccccc1)CCC[C@@H]2NCC1=CC[NH2+]CC1 ZINC000423360185 429072783 /nfs/dbraw/zinc/07/27/83/429072783.db2.gz VXBFSQKFIQEHKI-SFHVURJKSA-N 1 3 308.429 2.759 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@@H](N)C2)c(C)c1OC ZINC000423371348 429073797 /nfs/dbraw/zinc/07/37/97/429073797.db2.gz QEZGCAWUPCKLNA-MAZHCROVSA-N 1 3 306.450 2.803 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)c(C)c1OC ZINC000423371348 429073803 /nfs/dbraw/zinc/07/38/03/429073803.db2.gz QEZGCAWUPCKLNA-MAZHCROVSA-N 1 3 306.450 2.803 20 0 DFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2C[C@@H](C)CCN2)c1 ZINC000423370826 429074493 /nfs/dbraw/zinc/07/44/93/429074493.db2.gz UQIATCZPQCPPMU-MAUKXSAKSA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2C[C@@H](C)CCN2)c1 ZINC000423370826 429074497 /nfs/dbraw/zinc/07/44/97/429074497.db2.gz UQIATCZPQCPPMU-MAUKXSAKSA-N 1 3 317.477 2.531 20 0 DFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)CC1CCCCC1 ZINC000423369101 429074996 /nfs/dbraw/zinc/07/49/96/429074996.db2.gz SIVRURZWTJKHOL-INMHGKMJSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)CC1CCCCC1 ZINC000423369101 429075001 /nfs/dbraw/zinc/07/50/01/429075001.db2.gz SIVRURZWTJKHOL-INMHGKMJSA-N 1 3 309.498 2.521 20 0 DFADHO C[N@H+](CCNC(=O)C(C)(C)[C@H](N)c1ccccc1)C1CCCC1 ZINC000423383933 429079235 /nfs/dbraw/zinc/07/92/35/429079235.db2.gz PMATYTSTRGNGAS-QGZVFWFLSA-N 1 3 317.477 2.703 20 0 DFADHO C[N@@H+](CCNC(=O)C(C)(C)[C@H](N)c1ccccc1)C1CCCC1 ZINC000423383933 429079238 /nfs/dbraw/zinc/07/92/38/429079238.db2.gz PMATYTSTRGNGAS-QGZVFWFLSA-N 1 3 317.477 2.703 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCNC[C@@H]2C)c2ccccc21 ZINC000423389320 429079473 /nfs/dbraw/zinc/07/94/73/429079473.db2.gz JICJAWDFCRBSLR-NBMRYCAZSA-N 1 3 316.445 2.756 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCNC[C@H]2C)c2ccccc21 ZINC000423389322 429080233 /nfs/dbraw/zinc/08/02/33/429080233.db2.gz JICJAWDFCRBSLR-ZSGPHXLJSA-N 1 3 316.445 2.756 20 0 DFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423427157 429084877 /nfs/dbraw/zinc/08/48/77/429084877.db2.gz IICXTVQAGOCLFC-DOTOQJQBSA-N 1 3 317.477 2.513 20 0 DFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423427157 429084882 /nfs/dbraw/zinc/08/48/82/429084882.db2.gz IICXTVQAGOCLFC-DOTOQJQBSA-N 1 3 317.477 2.513 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452343916 429098168 /nfs/dbraw/zinc/09/81/68/429098168.db2.gz MJKUQYIUDZQHBK-CVEARBPZSA-N 1 3 311.514 2.780 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424138616 429098993 /nfs/dbraw/zinc/09/89/93/429098993.db2.gz CSYFDPBMADCZEQ-KYJSFNMBSA-N 1 3 321.509 2.663 20 0 DFADHO CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H]1CNCCCO1 ZINC000423493251 429099836 /nfs/dbraw/zinc/09/98/36/429099836.db2.gz PTPIWYLFFGILPZ-DOTOQJQBSA-N 1 3 308.491 2.771 20 0 DFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@@H](C[NH3+])C1CCCC1 ZINC000423535017 429111451 /nfs/dbraw/zinc/11/14/51/429111451.db2.gz XASJBETYPUVRKK-BBRMVZONSA-N 1 3 319.449 2.519 20 0 DFADHO COC(=O)CC1CC([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000424277587 429118381 /nfs/dbraw/zinc/11/83/81/429118381.db2.gz HATDXZAHLKMOSY-UIDBIOKJSA-N 1 3 308.466 2.571 20 0 DFADHO C[C@@H]1CC2(CN1CC(=O)Nc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424300580 429122350 /nfs/dbraw/zinc/12/23/50/429122350.db2.gz WURBULGSQKKGPK-CYBMUJFWSA-N 1 3 321.852 2.743 20 0 DFADHO Cc1cccc(C)c1NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424300572 429122447 /nfs/dbraw/zinc/12/24/47/429122447.db2.gz WUBJYEGXZGHULV-MRXNPFEDSA-N 1 3 315.461 2.706 20 0 DFADHO CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424329542 429128304 /nfs/dbraw/zinc/12/83/04/429128304.db2.gz GVGLMGDSTLVNNO-QZTJIDSGSA-N 1 3 317.477 2.593 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000424414517 429137247 /nfs/dbraw/zinc/13/72/47/429137247.db2.gz HHJAUZZIAVRMGX-UHFFFAOYSA-N 1 3 306.454 2.696 20 0 DFADHO COc1ccc2oc(CN3CCC(OCCC[NH3+])CC3)cc2c1 ZINC000435387655 429137556 /nfs/dbraw/zinc/13/75/56/429137556.db2.gz BPQDUZCVUAQENX-UHFFFAOYSA-N 1 3 318.417 2.771 20 0 DFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)c1 ZINC000495060138 429176256 /nfs/dbraw/zinc/17/62/56/429176256.db2.gz QCMKNQNZNVCZOR-JTDSTZFVSA-N 1 3 320.477 2.778 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(C)CC2)[C@@H]1Oc1ccccc1 ZINC000364321549 429180901 /nfs/dbraw/zinc/18/09/01/429180901.db2.gz CJJQHCBMYLJQHR-OTWHNJEPSA-N 1 3 318.461 2.543 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000436297772 429195982 /nfs/dbraw/zinc/19/59/82/429195982.db2.gz NXPUSLGUIHFJMD-AYOQOUSVSA-N 1 3 305.510 2.856 20 0 DFADHO CCN1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436278291 429194108 /nfs/dbraw/zinc/19/41/08/429194108.db2.gz CHVPPMOFKAKPJD-CYBMUJFWSA-N 1 3 304.463 2.960 20 0 DFADHO CC(C)c1ccc([C@@H](N)CNC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000364469221 429209371 /nfs/dbraw/zinc/20/93/71/429209371.db2.gz TVCNMKMRMOTNJG-YJBOKZPZSA-N 1 3 317.477 2.706 20 0 DFADHO CN(C[C@H](O)CC1CCCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000364489570 429211870 /nfs/dbraw/zinc/21/18/70/429211870.db2.gz GSTZYODSCJWRMQ-LJQANCHMSA-N 1 3 324.509 2.503 20 0 DFADHO C[C@H]1C[C@@H](N(C)CC(C)(C)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495393011 429205278 /nfs/dbraw/zinc/20/52/78/429205278.db2.gz JNHODAZMLJYGPQ-KBPBESRZSA-N 1 3 313.486 2.704 20 0 DFADHO C[C@H]1C[C@@H](N(C)CC(C)(C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495393011 429205281 /nfs/dbraw/zinc/20/52/81/429205281.db2.gz JNHODAZMLJYGPQ-KBPBESRZSA-N 1 3 313.486 2.704 20 0 DFADHO CN(C)[C@H](CNC(=O)C[N@H+](C)C1(C)CCCC1)c1ccccc1 ZINC000489886494 429266818 /nfs/dbraw/zinc/26/68/18/429266818.db2.gz MTXGZOSUJMGNJB-QGZVFWFLSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)[C@H](CNC(=O)C[N@@H+](C)C1(C)CCCC1)c1ccccc1 ZINC000489886494 429266821 /nfs/dbraw/zinc/26/68/21/429266821.db2.gz MTXGZOSUJMGNJB-QGZVFWFLSA-N 1 3 317.477 2.670 20 0 DFADHO CCC[C@@H](N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000364983617 429271044 /nfs/dbraw/zinc/27/10/44/429271044.db2.gz RRRLOWGTTIBLFE-ZWKOTPCHSA-N 1 3 317.477 2.627 20 0 DFADHO CCC[C@@H](N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000364983617 429271047 /nfs/dbraw/zinc/27/10/47/429271047.db2.gz RRRLOWGTTIBLFE-ZWKOTPCHSA-N 1 3 317.477 2.627 20 0 DFADHO C[C@H](NC1CC1)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000449094993 429331256 /nfs/dbraw/zinc/33/12/56/429331256.db2.gz VKXBMHHCIPQAEP-HNNXBMFYSA-N 1 3 315.461 2.998 20 0 DFADHO COCC1CCC([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000449103350 429332472 /nfs/dbraw/zinc/33/24/72/429332472.db2.gz PSJIJNJVFODDIH-VYMRPNJYSA-N 1 3 312.498 2.671 20 0 DFADHO CN1CCC(N2CCC([NH2+][C@@H]3CCCC34CCC4)CC2)CC1 ZINC000449108078 429334889 /nfs/dbraw/zinc/33/48/89/429334889.db2.gz PMISXMQLDDQGOG-GOSISDBHSA-N 1 3 305.510 2.857 20 0 DFADHO CO[C@H](CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000425425295 429293416 /nfs/dbraw/zinc/29/34/16/429293416.db2.gz YBOLOJINPACHBG-IEBWSBKVSA-N 1 3 302.462 2.865 20 0 DFADHO CO[C@H](CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000425425295 429293420 /nfs/dbraw/zinc/29/34/20/429293420.db2.gz YBOLOJINPACHBG-IEBWSBKVSA-N 1 3 302.462 2.865 20 0 DFADHO CO[C@@H](C[N@H+](C)CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000425425447 429293698 /nfs/dbraw/zinc/29/36/98/429293698.db2.gz UGZGEDAMRLAYDC-SFHVURJKSA-N 1 3 303.450 2.655 20 0 DFADHO CO[C@@H](C[N@@H+](C)CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000425425447 429293701 /nfs/dbraw/zinc/29/37/01/429293701.db2.gz UGZGEDAMRLAYDC-SFHVURJKSA-N 1 3 303.450 2.655 20 0 DFADHO CN(C)[C@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000365407763 429313720 /nfs/dbraw/zinc/31/37/20/429313720.db2.gz SOKIQIQGKVANFH-KRWDZBQOSA-N 1 3 323.525 2.687 20 0 DFADHO CN(C)[C@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000365407763 429313722 /nfs/dbraw/zinc/31/37/22/429313722.db2.gz SOKIQIQGKVANFH-KRWDZBQOSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)/C=C/CN(C)C)cc2)C1 ZINC000491686423 429391092 /nfs/dbraw/zinc/39/10/92/429391092.db2.gz QPCQBONVAATHHG-YERXGYGTSA-N 1 3 315.461 2.975 20 0 DFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)/C=C/CN(C)C)cc2)C1 ZINC000491686423 429391097 /nfs/dbraw/zinc/39/10/97/429391097.db2.gz QPCQBONVAATHHG-YERXGYGTSA-N 1 3 315.461 2.975 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCc2cnccn2)CC1 ZINC000449208710 429358683 /nfs/dbraw/zinc/35/86/83/429358683.db2.gz SWBGRHLTGZWIGY-KRWDZBQOSA-N 1 3 324.472 2.704 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000449323929 429388896 /nfs/dbraw/zinc/38/88/96/429388896.db2.gz BTUMEGLNEYXHAV-FQEVSTJZSA-N 1 3 323.440 2.618 20 0 DFADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccncc2OCCN(C)C)C1 ZINC000449330061 429390085 /nfs/dbraw/zinc/39/00/85/429390085.db2.gz RLDYZLWWDRKEHN-HLLBOEOZSA-N 1 3 305.466 2.936 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(Br)cc1)[C@H]1CCCNC1 ZINC000519138330 429448733 /nfs/dbraw/zinc/44/87/33/429448733.db2.gz WJOMMJIMABZRFL-JSGCOSHPSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H](NCCc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000519138330 429448736 /nfs/dbraw/zinc/44/87/36/429448736.db2.gz WJOMMJIMABZRFL-JSGCOSHPSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1)N1CCCCCC1 ZINC000366439652 429453086 /nfs/dbraw/zinc/45/30/86/429453086.db2.gz SICQIBCDVWHQNC-IRXDYDNUSA-N 1 3 321.509 2.726 20 0 DFADHO C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1)N1CCCCCC1 ZINC000366439652 429453089 /nfs/dbraw/zinc/45/30/89/429453089.db2.gz SICQIBCDVWHQNC-IRXDYDNUSA-N 1 3 321.509 2.726 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)CN1CCCC1 ZINC000366075711 429411808 /nfs/dbraw/zinc/41/18/08/429411808.db2.gz XBIFWCKGSUPACB-BRWVUGGUSA-N 1 3 304.482 2.768 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1)C1CC1 ZINC000449722339 429488244 /nfs/dbraw/zinc/48/82/44/429488244.db2.gz KPJZHPOGGLTHHZ-WBVHZDCISA-N 1 3 315.461 2.528 20 0 DFADHO Cc1nc(C(C)C)oc1CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000428207066 429499121 /nfs/dbraw/zinc/49/91/21/429499121.db2.gz OMIWRLCBBZVSET-AWEZNQCLSA-N 1 3 323.481 2.631 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1)C1CC1 ZINC000449755499 429500360 /nfs/dbraw/zinc/50/03/60/429500360.db2.gz UFHPXVBJTWHOEF-QGZVFWFLSA-N 1 3 315.461 2.541 20 0 DFADHO c1cn2c(n1)C[C@@H](C[NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC000366744779 429505361 /nfs/dbraw/zinc/50/53/61/429505361.db2.gz KDGBMTLUSMMPEZ-INIZCTEOSA-N 1 3 316.493 2.832 20 0 DFADHO Cc1nc(C(C)C)oc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000428304014 429510255 /nfs/dbraw/zinc/51/02/55/429510255.db2.gz SJJHOWHZTGBIEC-UHFFFAOYSA-N 1 3 322.497 2.564 20 0 DFADHO COc1cc(F)cc(C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000449783045 429511326 /nfs/dbraw/zinc/51/13/26/429511326.db2.gz MVZCPRYGSWYFGY-JQFCIGGWSA-N 1 3 306.425 2.982 20 0 DFADHO COc1cc(F)cc(C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000449783045 429511329 /nfs/dbraw/zinc/51/13/29/429511329.db2.gz MVZCPRYGSWYFGY-JQFCIGGWSA-N 1 3 306.425 2.982 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000450438096 429625580 /nfs/dbraw/zinc/62/55/80/429625580.db2.gz JWYDSTRZYDWBSN-BHIYHBOVSA-N 1 3 304.478 2.957 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000450438096 429625582 /nfs/dbraw/zinc/62/55/82/429625582.db2.gz JWYDSTRZYDWBSN-BHIYHBOVSA-N 1 3 304.478 2.957 20 0 DFADHO c1cn(CCN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000367354036 429628281 /nfs/dbraw/zinc/62/82/81/429628281.db2.gz QRDKTBPJEKKAOT-UHFFFAOYSA-N 1 3 324.472 2.871 20 0 DFADHO c1cn(CCN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000367354036 429628284 /nfs/dbraw/zinc/62/82/84/429628284.db2.gz QRDKTBPJEKKAOT-UHFFFAOYSA-N 1 3 324.472 2.871 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)[C@H](C)c2ccccc2)C[C@@H]1C ZINC000450466243 429633527 /nfs/dbraw/zinc/63/35/27/429633527.db2.gz IJLUKKSEUOCIBF-NBMJBFSESA-N 1 3 304.478 2.956 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)[C@H](C)c2ccccc2)C[C@@H]1C ZINC000450466243 429633531 /nfs/dbraw/zinc/63/35/31/429633531.db2.gz IJLUKKSEUOCIBF-NBMJBFSESA-N 1 3 304.478 2.956 20 0 DFADHO Cc1nccn1C[C@H]1CCCN1C[C@H]1CCCC[N@H+]1C(C)C ZINC000450471393 429635151 /nfs/dbraw/zinc/63/51/51/429635151.db2.gz JYLUMRZCSAKNLZ-QZTJIDSGSA-N 1 3 304.482 2.919 20 0 DFADHO Cc1nccn1C[C@H]1CCCN1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000450471393 429635154 /nfs/dbraw/zinc/63/51/54/429635154.db2.gz JYLUMRZCSAKNLZ-QZTJIDSGSA-N 1 3 304.482 2.919 20 0 DFADHO CCc1ccc2nccc(N3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)c2c1 ZINC000450314178 429597220 /nfs/dbraw/zinc/59/72/20/429597220.db2.gz TYBADJJRNUJTIP-GJZGRUSLSA-N 1 3 313.445 2.689 20 0 DFADHO CCc1ccc2nccc(N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)c2c1 ZINC000450314178 429597222 /nfs/dbraw/zinc/59/72/22/429597222.db2.gz TYBADJJRNUJTIP-GJZGRUSLSA-N 1 3 313.445 2.689 20 0 DFADHO CN(CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccc(F)cc1 ZINC000367213408 429598235 /nfs/dbraw/zinc/59/82/35/429598235.db2.gz WJHKYYVYEMNGLI-DFNIBXOVSA-N 1 3 319.468 2.815 20 0 DFADHO CN(CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccc(F)cc1 ZINC000367213408 429598240 /nfs/dbraw/zinc/59/82/40/429598240.db2.gz WJHKYYVYEMNGLI-DFNIBXOVSA-N 1 3 319.468 2.815 20 0 DFADHO CN(CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)Cc1ccc(F)cc1 ZINC000367213408 429598241 /nfs/dbraw/zinc/59/82/41/429598241.db2.gz WJHKYYVYEMNGLI-DFNIBXOVSA-N 1 3 319.468 2.815 20 0 DFADHO CN(CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)Cc1ccc(F)cc1 ZINC000367213408 429598247 /nfs/dbraw/zinc/59/82/47/429598247.db2.gz WJHKYYVYEMNGLI-DFNIBXOVSA-N 1 3 319.468 2.815 20 0 DFADHO Cc1cc(NC(=O)C23CCCN2CCC3)ccc1C[NH+](C)C ZINC000458274554 429611540 /nfs/dbraw/zinc/61/15/40/429611540.db2.gz XRLDXMXMQRIOLD-UHFFFAOYSA-N 1 3 301.434 2.624 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CN1CCN(CC23CCC(CC2)C3)CC1 ZINC000450386771 429613517 /nfs/dbraw/zinc/61/35/17/429613517.db2.gz GBVBZRGCPMERCC-XBMUEBEBSA-N 1 3 305.510 2.669 20 0 DFADHO C[N@H+]1CCCC[C@H]1CN1CCN(CC23CCC(CC2)C3)CC1 ZINC000450386771 429613521 /nfs/dbraw/zinc/61/35/21/429613521.db2.gz GBVBZRGCPMERCC-XBMUEBEBSA-N 1 3 305.510 2.669 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429537417 429614662 /nfs/dbraw/zinc/61/46/62/429614662.db2.gz FHAWFVMVFBLVAQ-HNNXBMFYSA-N 1 3 321.440 2.879 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429537417 429614668 /nfs/dbraw/zinc/61/46/68/429614668.db2.gz FHAWFVMVFBLVAQ-HNNXBMFYSA-N 1 3 321.440 2.879 20 0 DFADHO CC[N@H+](C)C[C@@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000271257885 276073613 /nfs/dbraw/zinc/07/36/13/276073613.db2.gz HNKQEPZMTJAWNK-OALUTQOASA-N 1 3 301.478 2.535 20 0 DFADHO CC[N@@H+](C)C[C@@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000271257885 276073615 /nfs/dbraw/zinc/07/36/15/276073615.db2.gz HNKQEPZMTJAWNK-OALUTQOASA-N 1 3 301.478 2.535 20 0 DFADHO CC1CCC2(CC1)OC[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)O2 ZINC000180004260 276193234 /nfs/dbraw/zinc/19/32/34/276193234.db2.gz PPKNLAVFZBJNNY-RXBBHQPVSA-N 1 3 310.482 2.627 20 0 DFADHO CC1CCC2(CC1)OC[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)O2 ZINC000180004260 276193236 /nfs/dbraw/zinc/19/32/36/276193236.db2.gz PPKNLAVFZBJNNY-RXBBHQPVSA-N 1 3 310.482 2.627 20 0 DFADHO CN(CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000367599900 429682981 /nfs/dbraw/zinc/68/29/81/429682981.db2.gz IMXYIPUWYUGUAZ-QRVBRYPASA-N 1 3 301.478 2.581 20 0 DFADHO CN(CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000367599900 429682986 /nfs/dbraw/zinc/68/29/86/429682986.db2.gz IMXYIPUWYUGUAZ-QRVBRYPASA-N 1 3 301.478 2.581 20 0 DFADHO CN(CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000367599900 429682989 /nfs/dbraw/zinc/68/29/89/429682989.db2.gz IMXYIPUWYUGUAZ-QRVBRYPASA-N 1 3 301.478 2.581 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247164743 276229433 /nfs/dbraw/zinc/22/94/33/276229433.db2.gz XZNSYDBVDMKYOI-ZWOKBUDYSA-N 1 3 315.505 2.753 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247164743 276229434 /nfs/dbraw/zinc/22/94/34/276229434.db2.gz XZNSYDBVDMKYOI-ZWOKBUDYSA-N 1 3 315.505 2.753 20 0 DFADHO CSc1ccccc1NC(=O)CCN[C@@](C)(C[NH3+])C(C)C ZINC000430544796 429690209 /nfs/dbraw/zinc/69/02/09/429690209.db2.gz GTUXRZCVDBYJFB-INIZCTEOSA-N 1 3 309.479 2.700 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc(-n3cccn3)cc2)[C@H]2CCC[C@@H]21 ZINC000367638985 429691340 /nfs/dbraw/zinc/69/13/40/429691340.db2.gz SLIVCHSJKIQJJL-QYZOEREBSA-N 1 3 310.445 2.835 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc(-n3cccn3)cc2)[C@H]2CCC[C@@H]21 ZINC000367638985 429691345 /nfs/dbraw/zinc/69/13/45/429691345.db2.gz SLIVCHSJKIQJJL-QYZOEREBSA-N 1 3 310.445 2.835 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000367624632 429687064 /nfs/dbraw/zinc/68/70/64/429687064.db2.gz WJDHYFBHFCSLAU-UFYCRDLUSA-N 1 3 324.472 2.894 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@@H]2CCC[C@H]21 ZINC000367624631 429687222 /nfs/dbraw/zinc/68/72/22/429687222.db2.gz WJDHYFBHFCSLAU-SLFFLAALSA-N 1 3 324.472 2.894 20 0 DFADHO CC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000367621286 429688022 /nfs/dbraw/zinc/68/80/22/429688022.db2.gz ZVOCVNKCODMVOI-KSZLIROESA-N 1 3 301.434 2.607 20 0 DFADHO Cc1cccc2ncc(CN3CC[C@H](C4CC[NH+](C)CC4)C3)n21 ZINC000367685814 429699507 /nfs/dbraw/zinc/69/95/07/429699507.db2.gz LBYDTMIXKZNBQB-KRWDZBQOSA-N 1 3 312.461 2.806 20 0 DFADHO CSc1ccc(OCCN2CCC(OCCC[NH3+])CC2)cc1 ZINC000430568093 429694700 /nfs/dbraw/zinc/69/47/00/429694700.db2.gz HAWBFWSIZMWLSC-UHFFFAOYSA-N 1 3 324.490 2.617 20 0 DFADHO CC[NH+](CC)CCOC1CCN([C@H](C)c2ccccn2)CC1 ZINC000493131248 429695169 /nfs/dbraw/zinc/69/51/69/429695169.db2.gz JDBITGUHIANCJS-MRXNPFEDSA-N 1 3 305.466 2.965 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CNCc1cnc(-c2ccco2)s1 ZINC000193142723 276357678 /nfs/dbraw/zinc/35/76/78/276357678.db2.gz HIYUQCMYPVOHCI-CYBMUJFWSA-N 1 3 323.462 2.850 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430578333 429697361 /nfs/dbraw/zinc/69/73/61/429697361.db2.gz YLUXZRDCLJAKBE-CHWSQXEVSA-N 1 3 309.841 2.728 20 0 DFADHO C[C@@H]1CCC[C@@H](C[N@H+](C)[C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000367673250 429697888 /nfs/dbraw/zinc/69/78/88/429697888.db2.gz RCZJALWQPSWVSF-LMMKCTJWSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCC[C@@H](C[N@@H+](C)[C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000367673250 429697890 /nfs/dbraw/zinc/69/78/90/429697890.db2.gz RCZJALWQPSWVSF-LMMKCTJWSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@H]1CCCC[C@H]1C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000367681916 429700175 /nfs/dbraw/zinc/70/01/75/429700175.db2.gz DUSSSRTZCRRSHR-HKUYNNGSSA-N 1 3 307.526 2.772 20 0 DFADHO CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](C)N ZINC000430613431 429700583 /nfs/dbraw/zinc/70/05/83/429700583.db2.gz VMLHPZIHWMPXLR-HIFRSBDPSA-N 1 3 321.490 2.939 20 0 DFADHO CSc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)N ZINC000430613431 429700584 /nfs/dbraw/zinc/70/05/84/429700584.db2.gz VMLHPZIHWMPXLR-HIFRSBDPSA-N 1 3 321.490 2.939 20 0 DFADHO [NH3+]C[C@H]1CCCN(CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430632066 429702825 /nfs/dbraw/zinc/70/28/25/429702825.db2.gz WMEQLESYRJQHGT-OAHLLOKOSA-N 1 3 311.429 2.839 20 0 DFADHO [NH3+]CC1CCN(CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000430619947 429703517 /nfs/dbraw/zinc/70/35/17/429703517.db2.gz GXSFWVZRXYKMCP-UHFFFAOYSA-N 1 3 318.339 2.635 20 0 DFADHO C[NH2+]C[C@H]1CCN(CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430931438 429725086 /nfs/dbraw/zinc/72/50/86/429725086.db2.gz CYHZUNDRTPVHPH-OAHLLOKOSA-N 1 3 311.429 2.710 20 0 DFADHO CCC[N@H+](CCc1nc2ccccc2n1C)C1CCNCC1 ZINC000431103147 429744351 /nfs/dbraw/zinc/74/43/51/429744351.db2.gz WCFNGPUZBQOCRQ-UHFFFAOYSA-N 1 3 300.450 2.580 20 0 DFADHO CCC[N@@H+](CCc1nc2ccccc2n1C)C1CCNCC1 ZINC000431103147 429744354 /nfs/dbraw/zinc/74/43/54/429744354.db2.gz WCFNGPUZBQOCRQ-UHFFFAOYSA-N 1 3 300.450 2.580 20 0 DFADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(CCN(C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057266 429757821 /nfs/dbraw/zinc/75/78/21/429757821.db2.gz CQVBNHWJIBYGDM-QWFCFKBJSA-N 1 3 315.505 2.781 20 0 DFADHO C[C@@H]1C[C@H]1[N@H+]1CCN(CCN(C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057266 429757823 /nfs/dbraw/zinc/75/78/23/429757823.db2.gz CQVBNHWJIBYGDM-QWFCFKBJSA-N 1 3 315.505 2.781 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c2ccccc21 ZINC000368005422 429764395 /nfs/dbraw/zinc/76/43/95/429764395.db2.gz IPEMOPGYQGWVNO-GUXCAODWSA-N 1 3 313.489 2.993 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c2ccccc21 ZINC000368005421 429765202 /nfs/dbraw/zinc/76/52/02/429765202.db2.gz IPEMOPGYQGWVNO-GQIGUUNPSA-N 1 3 313.489 2.993 20 0 DFADHO FC(F)COCC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000368091226 429784122 /nfs/dbraw/zinc/78/41/22/429784122.db2.gz VXVBZSZPXJVFLO-SJORKVTESA-N 1 3 324.415 2.722 20 0 DFADHO FC(F)COCC[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000368091226 429784125 /nfs/dbraw/zinc/78/41/25/429784125.db2.gz VXVBZSZPXJVFLO-SJORKVTESA-N 1 3 324.415 2.722 20 0 DFADHO FC1(F)Oc2cccc(CCN[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2O1 ZINC000527754327 429791606 /nfs/dbraw/zinc/79/16/06/429791606.db2.gz JRKVOLGVQIWTDO-KBPBESRZSA-N 1 3 324.371 2.767 20 0 DFADHO FC1(F)Oc2cccc(CCN[C@H]3CC[N@H+]4CCC[C@H]4C3)c2O1 ZINC000527754327 429791609 /nfs/dbraw/zinc/79/16/09/429791609.db2.gz JRKVOLGVQIWTDO-KBPBESRZSA-N 1 3 324.371 2.767 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)[C@@H]1CC12CC2 ZINC000527886539 429815440 /nfs/dbraw/zinc/81/54/40/429815440.db2.gz KYJLESPCABVMNC-WBAXXEDZSA-N 1 3 300.446 2.531 20 0 DFADHO CC(C)[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccnc1 ZINC000432413386 429821789 /nfs/dbraw/zinc/82/17/89/429821789.db2.gz LYTLKVSSSTVVQD-FUHWJXTLSA-N 1 3 305.466 2.869 20 0 DFADHO CC(C)[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccnc1 ZINC000432413386 429821790 /nfs/dbraw/zinc/82/17/90/429821790.db2.gz LYTLKVSSSTVVQD-FUHWJXTLSA-N 1 3 305.466 2.869 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@]1(C)COc2ccccc2O1 ZINC000527930048 429822519 /nfs/dbraw/zinc/82/25/19/429822519.db2.gz HDKZRAHYTNKBRZ-ZXFNITATSA-N 1 3 304.434 2.535 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@]1(C)COc2ccccc2O1 ZINC000527930048 429822523 /nfs/dbraw/zinc/82/25/23/429822523.db2.gz HDKZRAHYTNKBRZ-ZXFNITATSA-N 1 3 304.434 2.535 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@]2(C)COc3ccccc3O2)[C@H]2CCC[C@H]21 ZINC000527935541 429823337 /nfs/dbraw/zinc/82/33/37/429823337.db2.gz ZWIMAWLIZAPSOV-YYAJDYIMSA-N 1 3 316.445 2.679 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@]2(C)COc3ccccc3O2)[C@H]2CCC[C@H]21 ZINC000527935541 429823341 /nfs/dbraw/zinc/82/33/41/429823341.db2.gz ZWIMAWLIZAPSOV-YYAJDYIMSA-N 1 3 316.445 2.679 20 0 DFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@H]1CC12CC2 ZINC000527868556 429811672 /nfs/dbraw/zinc/81/16/72/429811672.db2.gz KTWSNRMJAOISQB-DNVCBOLYSA-N 1 3 314.473 2.922 20 0 DFADHO CC(C)[NH+]1CCC(N2CCN(CC3CC(C)(C)C3)CC2)CC1 ZINC000528422469 429887040 /nfs/dbraw/zinc/88/70/40/429887040.db2.gz DKXUZOGLZKTEFF-UHFFFAOYSA-N 1 3 307.526 2.913 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)N1CCCCC1 ZINC000369015090 429907639 /nfs/dbraw/zinc/90/76/39/429907639.db2.gz HRZLCEQFZYGYEL-GOSISDBHSA-N 1 3 321.509 2.584 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528746554 429912124 /nfs/dbraw/zinc/91/21/24/429912124.db2.gz WKDPZGDXSQDVGJ-IRXDYDNUSA-N 1 3 308.441 2.706 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528746554 429912125 /nfs/dbraw/zinc/91/21/25/429912125.db2.gz WKDPZGDXSQDVGJ-IRXDYDNUSA-N 1 3 308.441 2.706 20 0 DFADHO c1ccc(CCN2CC[C@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000369328464 429924333 /nfs/dbraw/zinc/92/43/33/429924333.db2.gz BDZYTGYKENZEAW-MSOLQXFVSA-N 1 3 304.503 2.894 20 0 DFADHO C[NH+]1CCC2(CCN(Cc3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000639757418 429970491 /nfs/dbraw/zinc/97/04/91/429970491.db2.gz LQQLXLULPGDUDV-UHFFFAOYSA-N 1 3 324.472 2.849 20 0 DFADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759630 429971980 /nfs/dbraw/zinc/97/19/80/429971980.db2.gz FEUZHODWZCNKGT-INIZCTEOSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759896 429973049 /nfs/dbraw/zinc/97/30/49/429973049.db2.gz NARQXRGLQXXMNO-BBWFWOEESA-N 1 3 321.509 2.582 20 0 DFADHO CC(C)CCC[C@@H](C)NC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639762071 429973646 /nfs/dbraw/zinc/97/36/46/429973646.db2.gz JYZSWTGHAAXIJC-QGZVFWFLSA-N 1 3 323.525 2.735 20 0 DFADHO N[C@@H]1CCC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000573793196 429983631 /nfs/dbraw/zinc/98/36/31/429983631.db2.gz XIFLVUVYAZZEPV-MNOVXSKESA-N 1 3 322.762 2.635 20 0 DFADHO CO[C@@H](C[N@@H+]1CCCN(c2ccncc2)CC1)c1ccccc1 ZINC000639684480 429946801 /nfs/dbraw/zinc/94/68/01/429946801.db2.gz VNMWQLZLBHCIQT-IBGZPJMESA-N 1 3 311.429 2.981 20 0 DFADHO CO[C@@H](C[N@H+]1CCCN(c2ccncc2)CC1)c1ccccc1 ZINC000639684480 429946804 /nfs/dbraw/zinc/94/68/04/429946804.db2.gz VNMWQLZLBHCIQT-IBGZPJMESA-N 1 3 311.429 2.981 20 0 DFADHO Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c(C)c1 ZINC000573437434 429950175 /nfs/dbraw/zinc/95/01/75/429950175.db2.gz AIVPBPAJXYTRKQ-RCCFBDPRSA-N 1 3 320.477 2.506 20 0 DFADHO C[C@H](C(=O)N1CCC([NH2+]C2CCCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000369479244 429953465 /nfs/dbraw/zinc/95/34/65/429953465.db2.gz UCNOTZWNIBKUGT-BZUAXINKSA-N 1 3 321.509 2.771 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000150994002 276789212 /nfs/dbraw/zinc/78/92/12/276789212.db2.gz CBVHTITWDKYAAL-SFHVURJKSA-N 1 3 321.896 2.943 20 0 DFADHO COCCN(C)CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000574415138 430040793 /nfs/dbraw/zinc/04/07/93/430040793.db2.gz SYQLFIOYRAXBRH-QRVBRYPASA-N 1 3 319.493 2.556 20 0 DFADHO COc1cc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000559917489 430016441 /nfs/dbraw/zinc/01/64/41/430016441.db2.gz PUKYXZBMLWDNFG-OWCLPIDISA-N 1 3 321.465 2.630 20 0 DFADHO CC(C)(C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)[C@H](N)c1ccccc1 ZINC000634763478 430106640 /nfs/dbraw/zinc/10/66/40/430106640.db2.gz XMCAVFNFFOPGQH-JKSUJKDBSA-N 1 3 317.477 2.607 20 0 DFADHO CC(C)[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000530245156 430107983 /nfs/dbraw/zinc/10/79/83/430107983.db2.gz UZLNOKQLQNXLPK-UXHICEINSA-N 1 3 315.505 2.828 20 0 DFADHO COCC1(NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000560557745 430055086 /nfs/dbraw/zinc/05/50/86/430055086.db2.gz YFFLGDKIIGLFSK-WMZOPIPTSA-N 1 3 324.509 2.815 20 0 DFADHO COCC1([NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000560557745 430055088 /nfs/dbraw/zinc/05/50/88/430055088.db2.gz YFFLGDKIIGLFSK-WMZOPIPTSA-N 1 3 324.509 2.815 20 0 DFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000562657781 430161572 /nfs/dbraw/zinc/16/15/72/430161572.db2.gz GZDCSTXFOKTTQP-AEFFLSMTSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000562657781 430161574 /nfs/dbraw/zinc/16/15/74/430161574.db2.gz GZDCSTXFOKTTQP-AEFFLSMTSA-N 1 3 321.509 2.630 20 0 DFADHO COc1cc2c(cc1OC)[C@H](N(C)C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000637930255 430176032 /nfs/dbraw/zinc/17/60/32/430176032.db2.gz LQVDEPMBSXHZSM-RHSMWYFYSA-N 1 3 318.461 2.965 20 0 DFADHO COc1cc2c(cc1OC)[C@H](N(C)C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000637930255 430176036 /nfs/dbraw/zinc/17/60/36/430176036.db2.gz LQVDEPMBSXHZSM-RHSMWYFYSA-N 1 3 318.461 2.965 20 0 DFADHO Cc1ccccc1[C@H]([C@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1)N(C)C ZINC000580550878 430133837 /nfs/dbraw/zinc/13/38/37/430133837.db2.gz BJDFAOXRPMBLAZ-DFEOGRTESA-N 1 3 303.494 2.964 20 0 DFADHO CN1CCCN(CCC[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000361184623 277051497 /nfs/dbraw/zinc/05/14/97/277051497.db2.gz UMIPXGSQKJVJCG-INIZCTEOSA-N 1 3 307.507 2.743 20 0 DFADHO Nc1ccc(-c2cccc(CN[C@@H]3CC34CC[NH2+]CC4)n2)cc1 ZINC000634995969 430187068 /nfs/dbraw/zinc/18/70/68/430187068.db2.gz VENYAIZIEOZIBJ-GOSISDBHSA-N 1 3 308.429 2.563 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635005070 430194274 /nfs/dbraw/zinc/19/42/74/430194274.db2.gz LQMCFOYVHNOHIV-TYWRASTISA-N 1 3 309.251 2.803 20 0 DFADHO C[C@H](C[C@H](C)N)[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635005070 430194279 /nfs/dbraw/zinc/19/42/79/430194279.db2.gz LQMCFOYVHNOHIV-TYWRASTISA-N 1 3 309.251 2.803 20 0 DFADHO C[C@]1(c2ccccc2)CC[C@H](N2CCC([NH2+]CCO)CC2)C1 ZINC000635002479 430191476 /nfs/dbraw/zinc/19/14/76/430191476.db2.gz SAONTERJWWAISE-OALUTQOASA-N 1 3 302.462 2.543 20 0 DFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cc(F)cc(F)c1 ZINC000635007970 430193408 /nfs/dbraw/zinc/19/34/08/430193408.db2.gz HRDVDUUKEUOXJN-GFCCVEGCSA-N 1 3 318.371 2.943 20 0 DFADHO CCc1cccnc1[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007667 430193888 /nfs/dbraw/zinc/19/38/88/430193888.db2.gz FYCOPPWIOQHRFV-CQSZACIVSA-N 1 3 311.433 2.622 20 0 DFADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cccc3c2CCNC3)C12CCC2 ZINC000635008640 430195485 /nfs/dbraw/zinc/19/54/85/430195485.db2.gz FYCOSDUIWPVWQI-FSPWUOQZSA-N 1 3 300.446 2.626 20 0 DFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(F)cc1F ZINC000635008292 430195971 /nfs/dbraw/zinc/19/59/71/430195971.db2.gz IQEMSVTXILFQDX-GFCCVEGCSA-N 1 3 318.371 2.943 20 0 DFADHO Oc1ccc2c(c1)[C@H](Nc1cc(N3CCNCC3)cc[nH+]1)CCC2 ZINC000635011294 430196082 /nfs/dbraw/zinc/19/60/82/430196082.db2.gz YWMCLKAEYXZMAY-GOSISDBHSA-N 1 3 324.428 2.686 20 0 DFADHO C[C@@H](Cc1cccs1)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635011297 430196181 /nfs/dbraw/zinc/19/61/81/430196181.db2.gz ZBSGZGSDXTUKJQ-ZDUSSCGKSA-N 1 3 302.447 2.596 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000635010741 430196303 /nfs/dbraw/zinc/19/63/03/430196303.db2.gz AWCDHULGJSWZMX-PLYYQAHHSA-N 1 3 306.425 2.881 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc3c1CCNC3)CC2 ZINC000635012014 430196417 /nfs/dbraw/zinc/19/64/17/430196417.db2.gz SKZYPLQCHCVAGP-IBGZPJMESA-N 1 3 322.452 2.988 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000635010740 430196651 /nfs/dbraw/zinc/19/66/51/430196651.db2.gz AWCDHULGJSWZMX-KCMWZYNZSA-N 1 3 306.425 2.881 20 0 DFADHO C[C@H](N[C@H]1CCCCCN(Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000635020906 430197667 /nfs/dbraw/zinc/19/76/67/430197667.db2.gz NNATWJAHBZKDKC-LPHOPBHVSA-N 1 3 301.478 2.629 20 0 DFADHO Cc1cc(N2CCC(N[C@H](C)C[C@H]3CCCCC[NH2+]3)CC2)n[nH]1 ZINC000581304620 430197747 /nfs/dbraw/zinc/19/77/47/430197747.db2.gz RYSCIZXVMVPJKH-RHSMWYFYSA-N 1 3 319.497 2.587 20 0 DFADHO CC(C)(C)[C@H](N)C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000361711823 277248715 /nfs/dbraw/zinc/24/87/15/277248715.db2.gz WDBYEDZOQSSCPD-QGZVFWFLSA-N 1 3 315.461 2.545 20 0 DFADHO C[NH+](C)CC1(CNC(=O)Nc2ccc3c(c2)CNC3)CCCC1 ZINC000581477159 430211858 /nfs/dbraw/zinc/21/18/58/430211858.db2.gz XYGZNQCDLBHXBJ-UHFFFAOYSA-N 1 3 316.449 2.533 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638047407 430218396 /nfs/dbraw/zinc/21/83/96/430218396.db2.gz HFSYNGLYMTXHRX-PWIZWCRZSA-N 1 3 316.489 2.957 20 0 DFADHO CC(C)CC[C@H](N)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000638062829 430224693 /nfs/dbraw/zinc/22/46/93/430224693.db2.gz IOMCGKDXOYOMST-SFHVURJKSA-N 1 3 319.493 2.907 20 0 DFADHO CC(C)CC[C@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000638062829 430224697 /nfs/dbraw/zinc/22/46/97/430224697.db2.gz IOMCGKDXOYOMST-SFHVURJKSA-N 1 3 319.493 2.907 20 0 DFADHO COC[C@H](C)C[N@@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000566230203 430249693 /nfs/dbraw/zinc/24/96/93/430249693.db2.gz QXGWIHQGVXBBGI-QRQLOZEOSA-N 1 3 304.478 2.941 20 0 DFADHO COC[C@H](C)C[N@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000566230203 430249696 /nfs/dbraw/zinc/24/96/96/430249696.db2.gz QXGWIHQGVXBBGI-QRQLOZEOSA-N 1 3 304.478 2.941 20 0 DFADHO c1ccc(-c2ncc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000566230254 430250133 /nfs/dbraw/zinc/25/01/33/430250133.db2.gz VTANGSAQAMFFHJ-MOPGFXCFSA-N 1 3 322.456 2.965 20 0 DFADHO C[N@H+](C[C@@H](O)CNCC(C)(C)c1ccccc1Cl)C1CC1 ZINC000582176469 430273870 /nfs/dbraw/zinc/27/38/70/430273870.db2.gz VIMYPNIRPBJLDO-AWEZNQCLSA-N 1 3 310.869 2.662 20 0 DFADHO C[N@@H+](C[C@@H](O)CNCC(C)(C)c1ccccc1Cl)C1CC1 ZINC000582176469 430273875 /nfs/dbraw/zinc/27/38/75/430273875.db2.gz VIMYPNIRPBJLDO-AWEZNQCLSA-N 1 3 310.869 2.662 20 0 DFADHO CCN[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000638087027 430232080 /nfs/dbraw/zinc/23/20/80/430232080.db2.gz MFNPJXWCLJJAMZ-HNNXBMFYSA-N 1 3 303.450 2.999 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000565903515 430232251 /nfs/dbraw/zinc/23/22/51/430232251.db2.gz JDQAFYISWJJPDS-GJZGRUSLSA-N 1 3 303.381 2.883 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000638102398 430237018 /nfs/dbraw/zinc/23/70/18/430237018.db2.gz USILEIWAAZRBHM-QZTJIDSGSA-N 1 3 323.525 2.865 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000638102393 430237680 /nfs/dbraw/zinc/23/76/80/430237680.db2.gz USILEIWAAZRBHM-MSOLQXFVSA-N 1 3 323.525 2.865 20 0 DFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](N)CCC(C)C ZINC000638273972 430292344 /nfs/dbraw/zinc/29/23/44/430292344.db2.gz DZPCZBFVYZWUHT-SFHVURJKSA-N 1 3 319.493 2.860 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000582367785 430293955 /nfs/dbraw/zinc/29/39/55/430293955.db2.gz DOVZKLOUJBMDNC-MAUKXSAKSA-N 1 3 308.441 2.708 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000582367785 430293960 /nfs/dbraw/zinc/29/39/60/430293960.db2.gz DOVZKLOUJBMDNC-MAUKXSAKSA-N 1 3 308.441 2.708 20 0 DFADHO O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CCN1C1CCCC1 ZINC000635546519 430305209 /nfs/dbraw/zinc/30/52/09/430305209.db2.gz APAAYMWYKFAOCI-GOSISDBHSA-N 1 3 321.509 2.776 20 0 DFADHO CN(C)C[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000545310116 430314437 /nfs/dbraw/zinc/31/44/37/430314437.db2.gz OREZHOILTBMEPP-KRWDZBQOSA-N 1 3 309.498 2.584 20 0 DFADHO CN(C)C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000545310116 430314440 /nfs/dbraw/zinc/31/44/40/430314440.db2.gz OREZHOILTBMEPP-KRWDZBQOSA-N 1 3 309.498 2.584 20 0 DFADHO CCN[C@@H](C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000638389318 430327175 /nfs/dbraw/zinc/32/71/75/430327175.db2.gz FHBFVVGETVHSMB-AWEZNQCLSA-N 1 3 321.490 2.811 20 0 DFADHO CC[C@@H](C)CN(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568188947 430329406 /nfs/dbraw/zinc/32/94/06/430329406.db2.gz XIBFXFRTORPGPP-MRXNPFEDSA-N 1 3 323.525 2.687 20 0 DFADHO CN(C)C1CC([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000568240093 430337876 /nfs/dbraw/zinc/33/78/76/430337876.db2.gz XNFRCBGUBZGWBW-LMDPOFIKSA-N 1 3 313.489 2.866 20 0 DFADHO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000638454715 430348034 /nfs/dbraw/zinc/34/80/34/430348034.db2.gz NIYKXZBXTYSOMG-CRAIPNDOSA-N 1 3 321.509 2.678 20 0 DFADHO CO[C@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000638456508 430348472 /nfs/dbraw/zinc/34/84/72/430348472.db2.gz MGTGBGBOLNNYRW-QGZVFWFLSA-N 1 3 308.491 2.975 20 0 DFADHO C[N@H+](CCC(=O)NCCN1CCCC(C)(C)C1)C1CCCCC1 ZINC000547735719 430417007 /nfs/dbraw/zinc/41/70/07/430417007.db2.gz KFVAUSUZZLXKFF-UHFFFAOYSA-N 1 3 323.525 2.879 20 0 DFADHO C[N@@H+](CCC(=O)NCCN1CCCC(C)(C)C1)C1CCCCC1 ZINC000547735719 430417011 /nfs/dbraw/zinc/41/70/11/430417011.db2.gz KFVAUSUZZLXKFF-UHFFFAOYSA-N 1 3 323.525 2.879 20 0 DFADHO CO[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000638521656 430366492 /nfs/dbraw/zinc/36/64/92/430366492.db2.gz NPEYHMQIANXLJW-PKOBYXMFSA-N 1 3 302.462 2.566 20 0 DFADHO CO[C@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521656 430366496 /nfs/dbraw/zinc/36/64/96/430366496.db2.gz NPEYHMQIANXLJW-PKOBYXMFSA-N 1 3 302.462 2.566 20 0 DFADHO CO[C@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521656 430366502 /nfs/dbraw/zinc/36/65/02/430366502.db2.gz NPEYHMQIANXLJW-PKOBYXMFSA-N 1 3 302.462 2.566 20 0 DFADHO Cn1cc(CCCNC[C@H]2CCC[N@@H+]2CC2CCCCC2)cn1 ZINC000638522590 430367086 /nfs/dbraw/zinc/36/70/86/430367086.db2.gz TZMKLYPGSGWTKU-LJQANCHMSA-N 1 3 318.509 2.987 20 0 DFADHO Cn1cc(CCCNC[C@H]2CCC[N@H+]2CC2CCCCC2)cn1 ZINC000638522590 430367088 /nfs/dbraw/zinc/36/70/88/430367088.db2.gz TZMKLYPGSGWTKU-LJQANCHMSA-N 1 3 318.509 2.987 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)[C@@H]1CC2CCC1CC2 ZINC000638587428 430382040 /nfs/dbraw/zinc/38/20/40/430382040.db2.gz CMIUJHUIXROJNK-CEHXIPJPSA-N 1 3 319.537 2.959 20 0 DFADHO C[C@@H](C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1CCCCC1 ZINC000638588790 430383879 /nfs/dbraw/zinc/38/38/79/430383879.db2.gz NRANZITZUDZQIQ-FUHWJXTLSA-N 1 3 307.526 2.961 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(CC(C)C)C2)[C@]12CCCO2 ZINC000638787838 430433725 /nfs/dbraw/zinc/43/37/25/430433725.db2.gz KACBVHKTKMSMDL-NCXUSEDFSA-N 1 3 324.509 2.671 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000569330363 430444713 /nfs/dbraw/zinc/44/47/13/430444713.db2.gz SKLVECSFUZQBQR-KYNGSXCRSA-N 1 3 311.429 2.591 20 0 DFADHO C[C@@H]([N@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000548113908 430447635 /nfs/dbraw/zinc/44/76/35/430447635.db2.gz OJPJQCYENZDPIN-NVXWUHKLSA-N 1 3 319.493 2.772 20 0 DFADHO C[C@@H]([N@@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000548113908 430447640 /nfs/dbraw/zinc/44/76/40/430447640.db2.gz OJPJQCYENZDPIN-NVXWUHKLSA-N 1 3 319.493 2.772 20 0 DFADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1CCCCN1C(C)C ZINC000569360886 430448453 /nfs/dbraw/zinc/44/84/53/430448453.db2.gz YROWNSLJVVMWJN-ZWKOTPCHSA-N 1 3 317.477 2.628 20 0 DFADHO CN(C)Cc1ccc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000583992026 430448522 /nfs/dbraw/zinc/44/85/22/430448522.db2.gz KSARFHZCLFOZNI-DLBZAZTESA-N 1 3 303.450 2.984 20 0 DFADHO CN1CCN(CC[NH2+]Cc2ccc(C(F)F)cc2)CC1(C)C ZINC000569422451 430452189 /nfs/dbraw/zinc/45/21/89/430452189.db2.gz AVLNRBXRZWHQMV-UHFFFAOYSA-N 1 3 311.420 2.740 20 0 DFADHO CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@@H]1CN2CCC1CC2 ZINC000638853442 430456684 /nfs/dbraw/zinc/45/66/84/430456684.db2.gz GSPJSOAENQANCW-QZTJIDSGSA-N 1 3 321.509 2.617 20 0 DFADHO CC[C@@H](CSc1ccccc1)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000569476259 430457765 /nfs/dbraw/zinc/45/77/65/430457765.db2.gz UBCJXIGNCODEMX-HOCLYGCPSA-N 1 3 308.491 2.602 20 0 DFADHO CC[C@@H](CSc1ccccc1)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000569476259 430457766 /nfs/dbraw/zinc/45/77/66/430457766.db2.gz UBCJXIGNCODEMX-HOCLYGCPSA-N 1 3 308.491 2.602 20 0 DFADHO CCn1cc(C[NH2+]C[C@H](C)CN(C)C)c(-c2ccccc2)n1 ZINC000641756187 430461405 /nfs/dbraw/zinc/46/14/05/430461405.db2.gz DWBGQGYLJKPNGD-HNNXBMFYSA-N 1 3 300.450 2.857 20 0 DFADHO c1cc2cc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)ccc2[nH]1 ZINC000584207544 430468991 /nfs/dbraw/zinc/46/89/91/430468991.db2.gz KOHIPQYCZYHXLW-MRXNPFEDSA-N 1 3 313.445 2.758 20 0 DFADHO CN1CC[C@H]2[C@H](CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548393079 430469255 /nfs/dbraw/zinc/46/92/55/430469255.db2.gz KNXUMFBEIWQEPX-AEFFLSMTSA-N 1 3 321.509 2.584 20 0 DFADHO CN1CC[C@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548393079 430469258 /nfs/dbraw/zinc/46/92/58/430469258.db2.gz KNXUMFBEIWQEPX-AEFFLSMTSA-N 1 3 321.509 2.584 20 0 DFADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000641802808 430476769 /nfs/dbraw/zinc/47/67/69/430476769.db2.gz PHAXOYOGFYKWHE-CHWSQXEVSA-N 1 3 302.340 2.800 20 0 DFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000569691783 430479362 /nfs/dbraw/zinc/47/93/62/430479362.db2.gz RAGBIGSNCPKJSN-CQSZACIVSA-N 1 3 311.429 2.698 20 0 DFADHO Cc1ccc(CCNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000638751730 430423704 /nfs/dbraw/zinc/42/37/04/430423704.db2.gz SKMNPFMGZRPNGU-UXHICEINSA-N 1 3 316.489 2.895 20 0 DFADHO CC1(C)[C@H]([NH2+]CCC(=O)Nc2cccc3ccccc32)C[C@@H]1N ZINC000641808933 430480500 /nfs/dbraw/zinc/48/05/00/430480500.db2.gz VCLPGSPQPBLOFO-DLBZAZTESA-N 1 3 311.429 2.884 20 0 DFADHO COc1cc(C[C@H](C)[NH2+]C[C@H]2CCCN(CC(C)C)C2)ccn1 ZINC000638788002 430433219 /nfs/dbraw/zinc/43/32/19/430433219.db2.gz ZYGJPJIRFKQVDI-FUHWJXTLSA-N 1 3 319.493 2.979 20 0 DFADHO COc1cc(C[C@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)ccn1 ZINC000638788002 430433223 /nfs/dbraw/zinc/43/32/23/430433223.db2.gz ZYGJPJIRFKQVDI-FUHWJXTLSA-N 1 3 319.493 2.979 20 0 DFADHO COc1cc(C[C@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)ccn1 ZINC000638788002 430433225 /nfs/dbraw/zinc/43/32/25/430433225.db2.gz ZYGJPJIRFKQVDI-FUHWJXTLSA-N 1 3 319.493 2.979 20 0 DFADHO CN(C)C[C@@H]1CCCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000569910560 430497265 /nfs/dbraw/zinc/49/72/65/430497265.db2.gz RMILDQXHHCNDMW-ROUUACIJSA-N 1 3 317.477 2.622 20 0 DFADHO CO[C@H](CNC(C)(C)CC[NH+]1CCCCCC1)[C@H]1CCOC1 ZINC000639067447 430511306 /nfs/dbraw/zinc/51/13/06/430511306.db2.gz XRNVTXACBAVMSZ-DLBZAZTESA-N 1 3 312.498 2.672 20 0 DFADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106188 430526957 /nfs/dbraw/zinc/52/69/57/430526957.db2.gz WXDHGZMETXSQEI-ZWKOTPCHSA-N 1 3 301.478 2.929 20 0 DFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106188 430526960 /nfs/dbraw/zinc/52/69/60/430526960.db2.gz WXDHGZMETXSQEI-ZWKOTPCHSA-N 1 3 301.478 2.929 20 0 DFADHO C[NH+](C)[C@@H]1CCCN(C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106188 430526963 /nfs/dbraw/zinc/52/69/63/430526963.db2.gz WXDHGZMETXSQEI-ZWKOTPCHSA-N 1 3 301.478 2.929 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOC[C@@H]2CCCO2)C[C@@H]1c1ccccc1 ZINC000551050764 430548737 /nfs/dbraw/zinc/54/87/37/430548737.db2.gz BROPTPLQOGONEP-GBESFXJTSA-N 1 3 318.461 2.607 20 0 DFADHO C[N@H+]1CC[C@H](NCCOC[C@@H]2CCCO2)C[C@@H]1c1ccccc1 ZINC000551050764 430548741 /nfs/dbraw/zinc/54/87/41/430548741.db2.gz BROPTPLQOGONEP-GBESFXJTSA-N 1 3 318.461 2.607 20 0 DFADHO CSC[C@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000570508630 430549341 /nfs/dbraw/zinc/54/93/41/430549341.db2.gz CYOMXHFCGJYRDA-CRAIPNDOSA-N 1 3 322.518 2.732 20 0 DFADHO CSC[C@H](O)CNCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000570508630 430549344 /nfs/dbraw/zinc/54/93/44/430549344.db2.gz CYOMXHFCGJYRDA-CRAIPNDOSA-N 1 3 322.518 2.732 20 0 DFADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639170313 430552508 /nfs/dbraw/zinc/55/25/08/430552508.db2.gz STZZEQCPIWMPEC-ROUUACIJSA-N 1 3 301.478 2.833 20 0 DFADHO COc1cncc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1C ZINC000639177330 430554819 /nfs/dbraw/zinc/55/48/19/430554819.db2.gz RUQLJRALFJVWJM-MRXNPFEDSA-N 1 3 303.450 2.562 20 0 DFADHO Cn1ccnc1[C@H](C1CC1)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639176583 430554932 /nfs/dbraw/zinc/55/49/32/430554932.db2.gz HVCGXSNCFMCGBT-SJORKVTESA-N 1 3 302.466 2.535 20 0 DFADHO Cc1ncc([C@H](C)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000639177354 430556118 /nfs/dbraw/zinc/55/61/18/430556118.db2.gz SHGPUKJZZBTCEM-WMLDXEAASA-N 1 3 302.466 2.818 20 0 DFADHO CN1CCC([C@@H]2CC[N@H+](Cc3ccc4nccnc4c3)C2)CC1 ZINC000639177625 430557552 /nfs/dbraw/zinc/55/75/52/430557552.db2.gz WLHULHQRQWJIKQ-QGZVFWFLSA-N 1 3 310.445 2.794 20 0 DFADHO CN1CCC([C@@H]2CC[N@@H+](Cc3ccc4nccnc4c3)C2)CC1 ZINC000639177625 430557558 /nfs/dbraw/zinc/55/75/58/430557558.db2.gz WLHULHQRQWJIKQ-QGZVFWFLSA-N 1 3 310.445 2.794 20 0 DFADHO CN1CCC([C@H]2CC[N@H+](Cc3ccc4nccnc4c3)C2)CC1 ZINC000639177623 430558822 /nfs/dbraw/zinc/55/88/22/430558822.db2.gz WLHULHQRQWJIKQ-KRWDZBQOSA-N 1 3 310.445 2.794 20 0 DFADHO CN1CCC([C@H]2CC[N@@H+](Cc3ccc4nccnc4c3)C2)CC1 ZINC000639177623 430558827 /nfs/dbraw/zinc/55/88/27/430558827.db2.gz WLHULHQRQWJIKQ-KRWDZBQOSA-N 1 3 310.445 2.794 20 0 DFADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000643255260 430568190 /nfs/dbraw/zinc/56/81/90/430568190.db2.gz QLNNPVIWNDNYSK-KRWDZBQOSA-N 1 3 316.493 2.635 20 0 DFADHO CCN1CCC([N@H+]2CCCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000643255260 430568194 /nfs/dbraw/zinc/56/81/94/430568194.db2.gz QLNNPVIWNDNYSK-KRWDZBQOSA-N 1 3 316.493 2.635 20 0 DFADHO CC[NH+]1CCC(N2CCCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000643255260 430568199 /nfs/dbraw/zinc/56/81/99/430568199.db2.gz QLNNPVIWNDNYSK-KRWDZBQOSA-N 1 3 316.493 2.635 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000570738808 430572827 /nfs/dbraw/zinc/57/28/27/430572827.db2.gz FBVHDIXNMIVYKY-JKSUJKDBSA-N 1 3 317.477 2.622 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453174 430602594 /nfs/dbraw/zinc/60/25/94/430602594.db2.gz LTZXPIMNOOHGKV-GDZNZVCISA-N 1 3 309.404 2.508 20 0 DFADHO Cc1cc(CNCc2ccc(OCC[NH+](C)C)cc2)cc(C)n1 ZINC000643293883 430574531 /nfs/dbraw/zinc/57/45/31/430574531.db2.gz QZUZIRWABLDGNP-UHFFFAOYSA-N 1 3 313.445 2.929 20 0 DFADHO C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)C1 ZINC000552047817 430580576 /nfs/dbraw/zinc/58/05/76/430580576.db2.gz ZTFANYIMHBFQTJ-BRSBDYLESA-N 1 3 307.526 2.959 20 0 DFADHO C[C@@H](C[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)N(C)C ZINC000639233941 430581678 /nfs/dbraw/zinc/58/16/78/430581678.db2.gz YZRAWBIDCTYJJM-WDYCEAGBSA-N 1 3 301.478 2.894 20 0 DFADHO C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)C1 ZINC000552047820 430581705 /nfs/dbraw/zinc/58/17/05/430581705.db2.gz ZTFANYIMHBFQTJ-XMTFNYHQSA-N 1 3 307.526 2.959 20 0 DFADHO COc1ccc2[nH]cc(CC[NH2+][C@H]3CCNCC[C@@H]3C)c2c1 ZINC000643453906 430601912 /nfs/dbraw/zinc/60/19/12/430601912.db2.gz HACJMPCPGGYYFE-GUYCJALGSA-N 1 3 301.434 2.697 20 0 DFADHO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCNCC[C@H]3C)c2c1 ZINC000643453904 430601974 /nfs/dbraw/zinc/60/19/74/430601974.db2.gz HACJMPCPGGYYFE-CXAGYDPISA-N 1 3 301.434 2.697 20 0 DFADHO OC1(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000639264401 430591145 /nfs/dbraw/zinc/59/11/45/430591145.db2.gz CPOPXXGDVHAOQE-REPLKXPHSA-N 1 3 314.473 2.649 20 0 DFADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000552279558 430592950 /nfs/dbraw/zinc/59/29/50/430592950.db2.gz RYNLGUWEHINCET-ZWKOTPCHSA-N 1 3 321.509 2.561 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(C(C)(C)C)c1 ZINC000570983602 430594373 /nfs/dbraw/zinc/59/43/73/430594373.db2.gz NUNMDXXSMQITDY-UHFFFAOYSA-N 1 3 319.493 2.550 20 0 DFADHO C[NH+](C)CC1(C(=O)NCC(C)(C)N2CCCCC2)CCCCC1 ZINC000570985429 430594428 /nfs/dbraw/zinc/59/44/28/430594428.db2.gz GCMHRRIWGVWNEP-UHFFFAOYSA-N 1 3 323.525 2.879 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453212 430602313 /nfs/dbraw/zinc/60/23/13/430602313.db2.gz OXZKIMLVGRIBLE-QWQRMKEZSA-N 1 3 323.431 2.769 20 0 DFADHO CN1C[C@@H](C[NH2+]Cc2cccc(F)c2N)[C@H](c2ccccc2)C1 ZINC000639286821 430597710 /nfs/dbraw/zinc/59/77/10/430597710.db2.gz UHDDOYFMBODHCU-SJORKVTESA-N 1 3 313.420 2.843 20 0 DFADHO Fc1ccc(N2CC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1F ZINC000643453065 430602440 /nfs/dbraw/zinc/60/24/40/430602440.db2.gz FLORCAKHEXWREI-RDGKXADDSA-N 1 3 321.415 2.664 20 0 DFADHO CO[C@H](C[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C1CC1 ZINC000639149479 430544071 /nfs/dbraw/zinc/54/40/71/430544071.db2.gz PWQIVHVSLXOTKQ-LJQANCHMSA-N 1 3 318.461 2.674 20 0 DFADHO CC(C)[C@H](Cc1ccccc1)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000186985787 277901302 /nfs/dbraw/zinc/90/13/02/277901302.db2.gz KGLKGQCHHMUXLI-FQEVSTJZSA-N 1 3 317.521 2.869 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643452980 430602768 /nfs/dbraw/zinc/60/27/68/430602768.db2.gz BBYCYZRBJKEAGN-JKIFEVAISA-N 1 3 307.869 2.883 20 0 DFADHO C[C@@H](NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000643453179 430603140 /nfs/dbraw/zinc/60/31/40/430603140.db2.gz MOHWEZFMSFBOHO-HBUWYVDXSA-N 1 3 323.431 2.911 20 0 DFADHO C[C@H](NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643454232 430603245 /nfs/dbraw/zinc/60/32/45/430603245.db2.gz OEQNMJLBAWHCNZ-UHOSZYNNSA-N 1 3 301.478 2.801 20 0 DFADHO C[C@@H](NCCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]C1 ZINC000643458045 430604204 /nfs/dbraw/zinc/60/42/04/430604204.db2.gz ABMVQIFDEVZGOW-CABCVRRESA-N 1 3 316.424 2.532 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000643463196 430604626 /nfs/dbraw/zinc/60/46/26/430604626.db2.gz KWUOUVZVCLWBAC-BPQIPLTHSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@H]1CCCNC1 ZINC000643464288 430605780 /nfs/dbraw/zinc/60/57/80/430605780.db2.gz GARJUACZOKCKCC-KGLIPLIRSA-N 1 3 307.507 2.932 20 0 DFADHO C[C@@H](NCCCc1nc2c(s1)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000643464288 430605781 /nfs/dbraw/zinc/60/57/81/430605781.db2.gz GARJUACZOKCKCC-KGLIPLIRSA-N 1 3 307.507 2.932 20 0 DFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCCOCC1CCC1 ZINC000643481270 430607366 /nfs/dbraw/zinc/60/73/66/430607366.db2.gz BPCZQYODVTYYLY-PKOBYXMFSA-N 1 3 316.445 2.649 20 0 DFADHO c1ccc2c(c1)CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000643478089 430607403 /nfs/dbraw/zinc/60/74/03/430607403.db2.gz XZVMFARSVGMFDT-KCUHQSDYSA-N 1 3 314.473 2.538 20 0 DFADHO COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1C[C@H](N)c3ccccc31)C2 ZINC000643477729 430607473 /nfs/dbraw/zinc/60/74/73/430607473.db2.gz IAMWLYVXGLXWTD-BVGQSLNGSA-N 1 3 310.397 2.733 20 0 DFADHO C[C@H](NCCc1cc(C(F)(F)F)ccn1)[C@H]1CCC[NH2+]C1 ZINC000643491029 430609114 /nfs/dbraw/zinc/60/91/14/430609114.db2.gz ROFWGQNYKDXJGS-RYUDHWBXSA-N 1 3 301.356 2.621 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000643500418 430609787 /nfs/dbraw/zinc/60/97/87/430609787.db2.gz SNHJMPFRYWYEEG-KTFSGNIMSA-N 1 3 301.434 2.585 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC000553177849 430609903 /nfs/dbraw/zinc/60/99/03/430609903.db2.gz SODROYCBFTWMAN-AEFFLSMTSA-N 1 3 317.477 2.528 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000643512226 430612148 /nfs/dbraw/zinc/61/21/48/430612148.db2.gz CSJWEXVGIZSOGP-VWHBUJHXSA-N 1 3 313.445 2.536 20 0 DFADHO CC(C)[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000643521831 430613440 /nfs/dbraw/zinc/61/34/40/430613440.db2.gz CPSCPVWCMDUGFW-CZUORRHYSA-N 1 3 303.406 2.962 20 0 DFADHO COc1cc(C[C@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)ccn1 ZINC000639336246 430614826 /nfs/dbraw/zinc/61/48/26/430614826.db2.gz ABVZUWKJLAJAHS-YJBOKZPZSA-N 1 3 317.477 2.733 20 0 DFADHO COc1cc(C[C@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccn1 ZINC000639336246 430614830 /nfs/dbraw/zinc/61/48/30/430614830.db2.gz ABVZUWKJLAJAHS-YJBOKZPZSA-N 1 3 317.477 2.733 20 0 DFADHO COc1cc(C[C@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)ccn1 ZINC000639336246 430614833 /nfs/dbraw/zinc/61/48/33/430614833.db2.gz ABVZUWKJLAJAHS-YJBOKZPZSA-N 1 3 317.477 2.733 20 0 DFADHO COc1ccc2c(c1)[C@@H](N[C@@H]1CC13CC[NH2+]CC3)CCS2 ZINC000643535207 430614919 /nfs/dbraw/zinc/61/49/19/430614919.db2.gz KMOMWXUMGXDCLW-GOEBONIOSA-N 1 3 304.459 2.964 20 0 DFADHO C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)CN1Cc1ccccc1 ZINC000643545950 430615488 /nfs/dbraw/zinc/61/54/88/430615488.db2.gz FYEGNDVXLXDMDK-NZSAHSFTSA-N 1 3 313.489 2.914 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000554310931 430632839 /nfs/dbraw/zinc/63/28/39/430632839.db2.gz UPRIWKPFNPLSHP-HZPDHXFCSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)N1CC[C@H](C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000571722140 430647595 /nfs/dbraw/zinc/64/75/95/430647595.db2.gz ZSSAXCDVYAXFSH-MRXNPFEDSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000572257767 430678837 /nfs/dbraw/zinc/67/88/37/430678837.db2.gz QIFDNGALBSHFFO-UHOSZYNNSA-N 1 3 301.478 2.629 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000556161872 430679906 /nfs/dbraw/zinc/67/99/06/430679906.db2.gz XTGCBXJQANNKHO-MIGBEJBISA-N 1 3 315.461 2.927 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000556161872 430679907 /nfs/dbraw/zinc/67/99/07/430679907.db2.gz XTGCBXJQANNKHO-MIGBEJBISA-N 1 3 315.461 2.927 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@@H+]1C ZINC000177936905 278027628 /nfs/dbraw/zinc/02/76/28/278027628.db2.gz YHJZYVFFDZJPND-VVFCZOMOSA-N 1 3 316.445 2.981 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@H+]1C ZINC000177936905 278027630 /nfs/dbraw/zinc/02/76/30/278027630.db2.gz YHJZYVFFDZJPND-VVFCZOMOSA-N 1 3 316.445 2.981 20 0 DFADHO COc1ccccc1CC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261936978 278048251 /nfs/dbraw/zinc/04/82/51/278048251.db2.gz MELKINFWLSSNKQ-KRWDZBQOSA-N 1 3 302.462 2.949 20 0 DFADHO COc1ccccc1CC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000261936978 278048254 /nfs/dbraw/zinc/04/82/54/278048254.db2.gz MELKINFWLSSNKQ-KRWDZBQOSA-N 1 3 302.462 2.949 20 0 DFADHO CCC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCN(CC)CC1 ZINC000572488976 430688361 /nfs/dbraw/zinc/68/83/61/430688361.db2.gz ODKGMIVAKQXWHK-DOTOQJQBSA-N 1 3 309.498 2.535 20 0 DFADHO C[C@@](O)(CN1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000171138580 278116369 /nfs/dbraw/zinc/11/63/69/278116369.db2.gz MEJWTNXQHBTPEL-LJQANCHMSA-N 1 3 302.462 2.702 20 0 DFADHO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1 ZINC000315478639 278210151 /nfs/dbraw/zinc/21/01/51/278210151.db2.gz KXKBPBANJCDEJF-VHSSKADRSA-N 1 3 301.434 2.922 20 0 DFADHO C[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2sccc2C1 ZINC000177864218 278210971 /nfs/dbraw/zinc/21/09/71/278210971.db2.gz LNBXDCRPFTYRJH-FMKPAKJESA-N 1 3 307.507 2.567 20 0 DFADHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2sccc2C1 ZINC000177864218 278210972 /nfs/dbraw/zinc/21/09/72/278210972.db2.gz LNBXDCRPFTYRJH-FMKPAKJESA-N 1 3 307.507 2.567 20 0 DFADHO C[C@H]([NH3+])CCC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000193302906 278225346 /nfs/dbraw/zinc/22/53/46/278225346.db2.gz LKEUCXBUTCSDFD-FUHWJXTLSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H](CC[NH2+][C@H]1CCN(C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000361755944 278233733 /nfs/dbraw/zinc/23/37/33/278233733.db2.gz SKGLPIVQOKXOMS-AOIWGVFYSA-N 1 3 303.494 2.827 20 0 DFADHO Cc1cncc(CCNC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000657713080 430716407 /nfs/dbraw/zinc/71/64/07/430716407.db2.gz LLYOKCQOABSWDM-UHFFFAOYSA-N 1 3 324.472 2.624 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@H](C3CC3)C3CCCC3)C2)CC1 ZINC000651228287 430743469 /nfs/dbraw/zinc/74/34/69/430743469.db2.gz JXEXYSMLDHYNJP-MJGOQNOKSA-N 1 3 305.510 2.713 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@H](C3CC3)C3CCCC3)C2)CC1 ZINC000651228285 430744106 /nfs/dbraw/zinc/74/41/06/430744106.db2.gz JXEXYSMLDHYNJP-HKUYNNGSSA-N 1 3 305.510 2.713 20 0 DFADHO COC[C@@H](CC1CCOCC1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000657823837 430745388 /nfs/dbraw/zinc/74/53/88/430745388.db2.gz OTSASIZEZCIVNA-FUHWJXTLSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@@H](CC1CCOCC1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000657823837 430745392 /nfs/dbraw/zinc/74/53/92/430745392.db2.gz OTSASIZEZCIVNA-FUHWJXTLSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@@H](CC1CCOCC1)NCCC[N@H+]1CCCC[C@@H]1C ZINC000657823837 430745397 /nfs/dbraw/zinc/74/53/97/430745397.db2.gz OTSASIZEZCIVNA-FUHWJXTLSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@@H](CC1CCOCC1)[NH2+]CCCN1CCCC[C@H]1C ZINC000657823838 430746350 /nfs/dbraw/zinc/74/63/50/430746350.db2.gz OTSASIZEZCIVNA-SJLPKXTDSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@@H](CC1CCOCC1)NCCC[N@@H+]1CCCC[C@H]1C ZINC000657823838 430746353 /nfs/dbraw/zinc/74/63/53/430746353.db2.gz OTSASIZEZCIVNA-SJLPKXTDSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@@H](CC1CCOCC1)NCCC[N@H+]1CCCC[C@H]1C ZINC000657823838 430746354 /nfs/dbraw/zinc/74/63/54/430746354.db2.gz OTSASIZEZCIVNA-SJLPKXTDSA-N 1 3 312.498 2.672 20 0 DFADHO CC(C)[C@@H](NC[C@@H](O)C[NH+](C)C)c1ccc2c(c1)CCCC2 ZINC000657876639 430759559 /nfs/dbraw/zinc/75/95/59/430759559.db2.gz YRKNEUDWUJGECA-RTBURBONSA-N 1 3 304.478 2.775 20 0 DFADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc2cnccc2o1 ZINC000657882124 430761152 /nfs/dbraw/zinc/76/11/52/430761152.db2.gz XUJQKOANILJVSH-GOEBONIOSA-N 1 3 317.433 2.715 20 0 DFADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cc2cnccc2o1 ZINC000657882124 430761159 /nfs/dbraw/zinc/76/11/59/430761159.db2.gz XUJQKOANILJVSH-GOEBONIOSA-N 1 3 317.433 2.715 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cc2cnccc2o1 ZINC000657901294 430763719 /nfs/dbraw/zinc/76/37/19/430763719.db2.gz BHTHXBGMBSMLSW-ZFWWWQNUSA-N 1 3 305.422 2.835 20 0 DFADHO CN(Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1COCCO1 ZINC000661615337 430775177 /nfs/dbraw/zinc/77/51/77/430775177.db2.gz ZXOZDCKWNOGZAD-LJQANCHMSA-N 1 3 318.461 2.520 20 0 DFADHO O=C(CC[NH2+]C1CC(N2CCCCC2)C1)Nc1ccccc1F ZINC000644636817 430777140 /nfs/dbraw/zinc/77/71/40/430777140.db2.gz YACREHXQTDEDJH-UHFFFAOYSA-N 1 3 319.424 2.761 20 0 DFADHO COc1cc(C)ccc1[C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000658110289 430815191 /nfs/dbraw/zinc/81/51/91/430815191.db2.gz XCDCBKHEIMPBMX-DLBZAZTESA-N 1 3 321.509 2.926 20 0 DFADHO Cc1c([C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)cnn1C(C)C ZINC000658108674 430815410 /nfs/dbraw/zinc/81/54/10/430815410.db2.gz QVOJOKAVAPEVMD-HOTGVXAUSA-N 1 3 323.529 2.695 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)C1 ZINC000658136525 430821642 /nfs/dbraw/zinc/82/16/42/430821642.db2.gz HKEPRKREIOWQED-QZTJIDSGSA-N 1 3 300.446 2.676 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@@H](C3CC3)C3CCC3)cc2)C1 ZINC000658139847 430823885 /nfs/dbraw/zinc/82/38/85/430823885.db2.gz TTWZTYNXAZIKJQ-VQTJNVASSA-N 1 3 314.473 2.922 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C1CCCC1 ZINC000658139887 430824236 /nfs/dbraw/zinc/82/42/36/430824236.db2.gz NOCGHPKSMMSGQE-BEFAXECRSA-N 1 3 302.462 2.922 20 0 DFADHO CC(C)C1CC([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000658141950 430824294 /nfs/dbraw/zinc/82/42/94/430824294.db2.gz YCPNTGKDFBGPJC-ACBHZAAOSA-N 1 3 302.462 2.777 20 0 DFADHO COC[C@H](N[C@@H](C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000658162675 430830146 /nfs/dbraw/zinc/83/01/46/430830146.db2.gz FIZBRWPZYBMHPX-KSSFIOAISA-N 1 3 306.450 2.703 20 0 DFADHO COC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C(C)C ZINC000658168449 430832431 /nfs/dbraw/zinc/83/24/31/430832431.db2.gz XGTFDPIIRIXAGN-GOSISDBHSA-N 1 3 305.466 2.554 20 0 DFADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CCOC1 ZINC000658166787 430833249 /nfs/dbraw/zinc/83/32/49/430833249.db2.gz OVIDCAHKMWPPRP-OALUTQOASA-N 1 3 317.477 2.698 20 0 DFADHO CO[C@@H](C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000658170736 430833764 /nfs/dbraw/zinc/83/37/64/430833764.db2.gz NMUYFVYVFBWATI-GDAAHCPNSA-N 1 3 302.462 2.912 20 0 DFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000648432554 430785791 /nfs/dbraw/zinc/78/57/91/430785791.db2.gz XDAWZWKJCQOMCQ-YLJYHZDGSA-N 1 3 315.505 2.766 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCN(C)C2)CC1 ZINC000648432554 430785798 /nfs/dbraw/zinc/78/57/98/430785798.db2.gz XDAWZWKJCQOMCQ-YLJYHZDGSA-N 1 3 315.505 2.766 20 0 DFADHO CC[C@H]1C[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)CCO1 ZINC000648494063 430806544 /nfs/dbraw/zinc/80/65/44/430806544.db2.gz PEJMXLCGXCBXFH-WMZOPIPTSA-N 1 3 303.450 2.845 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H]2CCN(C3CCCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000658230495 430844907 /nfs/dbraw/zinc/84/49/07/430844907.db2.gz ZEJLJSIFPJYKBF-XGXHKWSGSA-N 1 3 305.510 2.856 20 0 DFADHO Cc1nn(-c2cccc(C)c2)cc1CNCC1CC[NH+](C)CC1 ZINC000651705974 430853098 /nfs/dbraw/zinc/85/30/98/430853098.db2.gz NZILYSYHJMPKKC-UHFFFAOYSA-N 1 3 312.461 2.921 20 0 DFADHO Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000658266230 430857234 /nfs/dbraw/zinc/85/72/34/430857234.db2.gz GMSYVRJHVSRYRK-HYVNUMGLSA-N 1 3 302.466 2.650 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000665234737 430863622 /nfs/dbraw/zinc/86/36/22/430863622.db2.gz JMQWBBDCERURAQ-YCPHGPKFSA-N 1 3 307.869 2.883 20 0 DFADHO COCCC[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259929 430872530 /nfs/dbraw/zinc/87/25/30/430872530.db2.gz VMSAHPDBCPJBBF-FRFSOERESA-N 1 3 324.440 2.685 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665267237 430876945 /nfs/dbraw/zinc/87/69/45/430876945.db2.gz SJLJMBSYQCZCQI-DOTOQJQBSA-N 1 3 316.493 2.906 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665267237 430876948 /nfs/dbraw/zinc/87/69/48/430876948.db2.gz SJLJMBSYQCZCQI-DOTOQJQBSA-N 1 3 316.493 2.906 20 0 DFADHO C[NH+](C)CCOc1ccc(CN2CCSC[C@H]2C2CC2)cc1 ZINC000648752519 430880991 /nfs/dbraw/zinc/88/09/91/430880991.db2.gz JXLPOXSILVAICE-SFHVURJKSA-N 1 3 320.502 2.954 20 0 DFADHO CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)C1CNC1 ZINC000665283047 430882913 /nfs/dbraw/zinc/88/29/13/430882913.db2.gz GNBJGKIQKQHIBL-ABAIWWIYSA-N 1 3 311.267 2.968 20 0 DFADHO CC[C@@H](Cc1ccc(Br)cc1)N[C@H](C)C1C[NH2+]C1 ZINC000665283047 430882917 /nfs/dbraw/zinc/88/29/17/430882917.db2.gz GNBJGKIQKQHIBL-ABAIWWIYSA-N 1 3 311.267 2.968 20 0 DFADHO c1ccc(CN2CC[C@@H]2CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000658347049 430883175 /nfs/dbraw/zinc/88/31/75/430883175.db2.gz GKEZKLCJVZLKFW-HXUWFJFHSA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(CN2CC[C@@H]2C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000658347049 430883177 /nfs/dbraw/zinc/88/31/77/430883177.db2.gz GKEZKLCJVZLKFW-HXUWFJFHSA-N 1 3 313.489 2.725 20 0 DFADHO Cn1ccnc1[C@H](NCC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000658358075 430885470 /nfs/dbraw/zinc/88/54/70/430885470.db2.gz YIMMHCAGMSLBCN-QGZVFWFLSA-N 1 3 302.466 2.583 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cccc2c1CCC2 ZINC000651651113 430839056 /nfs/dbraw/zinc/83/90/56/430839056.db2.gz LZPVPMJQLHHVON-HOJAQTOUSA-N 1 3 314.473 2.859 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cccc2c1CCC2 ZINC000651651114 430839879 /nfs/dbraw/zinc/83/98/79/430839879.db2.gz LZPVPMJQLHHVON-MISYRCLQSA-N 1 3 314.473 2.859 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000319385460 533691100 /nfs/dbraw/zinc/69/11/00/533691100.db2.gz KJETXUPSDCGFDR-OIISXLGYSA-N 1 3 301.434 2.620 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000319385460 533691096 /nfs/dbraw/zinc/69/10/96/533691096.db2.gz KJETXUPSDCGFDR-OIISXLGYSA-N 1 3 301.434 2.620 20 0 DFADHO Cc1cc(C)c(CNCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000648840632 430910977 /nfs/dbraw/zinc/91/09/77/430910977.db2.gz XPOORKPSVJZKCQ-UHFFFAOYSA-N 1 3 313.445 2.929 20 0 DFADHO COC[C@H]1CCCCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648856764 430914700 /nfs/dbraw/zinc/91/47/00/430914700.db2.gz AMOKSHLSLFSDAW-QGZVFWFLSA-N 1 3 306.450 2.628 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC[C@@]3(O)CCCOC3)CC2)C1 ZINC000652045556 430944272 /nfs/dbraw/zinc/94/42/72/430944272.db2.gz BDBLQBIUEYGERS-QRQLOZEOSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@@]3(O)CCCOC3)CC2)C1 ZINC000652045556 430944276 /nfs/dbraw/zinc/94/42/76/430944276.db2.gz BDBLQBIUEYGERS-QRQLOZEOSA-N 1 3 324.509 2.551 20 0 DFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCCC1 ZINC000655351183 430974585 /nfs/dbraw/zinc/97/45/85/430974585.db2.gz PGRHTBQBMJBMQJ-SJORKVTESA-N 1 3 321.509 2.632 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000655409888 430996148 /nfs/dbraw/zinc/99/61/48/430996148.db2.gz KTLAVFZVXWPTQD-MRXNPFEDSA-N 1 3 309.498 2.584 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000655409888 430996160 /nfs/dbraw/zinc/99/61/60/430996160.db2.gz KTLAVFZVXWPTQD-MRXNPFEDSA-N 1 3 309.498 2.584 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCc3nsc4ccccc43)C[C@@H]21 ZINC000662266204 431024355 /nfs/dbraw/zinc/02/43/55/431024355.db2.gz KMNREYPYPVGZMG-VHDGCEQUSA-N 1 3 301.459 2.898 20 0 DFADHO [NH3+]C[C@H]1CN(CCSc2ccc(F)cc2)CC12CCOCC2 ZINC000662272047 431026478 /nfs/dbraw/zinc/02/64/78/431026478.db2.gz CACFJGAWJYEWFS-AWEZNQCLSA-N 1 3 324.465 2.605 20 0 DFADHO c1ccc([C@@H]2CC[C@@H](CN3CCN([C@H]4CC[NH2+]C4)CC3)C2)cc1 ZINC000662272361 431027000 /nfs/dbraw/zinc/02/70/00/431027000.db2.gz FGUPEFQMCRUJKM-RLLQIKCJSA-N 1 3 313.489 2.550 20 0 DFADHO C[C@@H]1CCCN(CCc2nc(-c3ccccc3)no2)[C@@H]1CC[NH3+] ZINC000652355196 431030069 /nfs/dbraw/zinc/03/00/69/431030069.db2.gz QUCIVOOZCCGHCZ-GDBMZVCRSA-N 1 3 314.433 2.728 20 0 DFADHO c1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c2c(c1)CNCC2 ZINC000662278295 431030275 /nfs/dbraw/zinc/03/02/75/431030275.db2.gz DVWHRKHXAPQTIX-KRWDZBQOSA-N 1 3 300.446 2.581 20 0 DFADHO c1cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c2c(c1)CNCC2 ZINC000662278295 431030280 /nfs/dbraw/zinc/03/02/80/431030280.db2.gz DVWHRKHXAPQTIX-KRWDZBQOSA-N 1 3 300.446 2.581 20 0 DFADHO CCC[C@H](NC[C@@H]1CCC2(C[NH2+]C2)O1)c1ccc(F)cc1F ZINC000662283521 431032361 /nfs/dbraw/zinc/03/23/61/431032361.db2.gz USQRFXJWALFDDA-BBRMVZONSA-N 1 3 310.388 2.917 20 0 DFADHO c1ccc(CCC[C@@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662283568 431033033 /nfs/dbraw/zinc/03/30/33/431033033.db2.gz AONOQTKDXBDXPW-RTBURBONSA-N 1 3 314.473 2.995 20 0 DFADHO c1ccc(CCC[C@@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662283568 431033035 /nfs/dbraw/zinc/03/30/35/431033035.db2.gz AONOQTKDXBDXPW-RTBURBONSA-N 1 3 314.473 2.995 20 0 DFADHO c1ccc(C[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662283496 431033492 /nfs/dbraw/zinc/03/34/92/431033492.db2.gz UEESQYOLKSTSSU-GBESFXJTSA-N 1 3 314.473 2.899 20 0 DFADHO CC(C)N(C(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1)C(C)C ZINC000662291100 431035045 /nfs/dbraw/zinc/03/50/45/431035045.db2.gz PFCMPMQCQUTCCK-SJLPKXTDSA-N 1 3 323.525 2.732 20 0 DFADHO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)CNCC3)cn1 ZINC000662311553 431042309 /nfs/dbraw/zinc/04/23/09/431042309.db2.gz UKHNTQREGGDIQO-ICSRJNTNSA-N 1 3 324.472 2.567 20 0 DFADHO C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C[C@@H]1CCc2ccccc21 ZINC000662320991 431046034 /nfs/dbraw/zinc/04/60/34/431046034.db2.gz GDDJGOOXRWVESV-JBACZVJFSA-N 1 3 324.468 2.579 20 0 DFADHO C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C[C@@H]1CCc2ccccc21 ZINC000662320991 431046036 /nfs/dbraw/zinc/04/60/36/431046036.db2.gz GDDJGOOXRWVESV-JBACZVJFSA-N 1 3 324.468 2.579 20 0 DFADHO CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C[C@@H]1CCc2ccccc21 ZINC000662320991 431046041 /nfs/dbraw/zinc/04/60/41/431046041.db2.gz GDDJGOOXRWVESV-JBACZVJFSA-N 1 3 324.468 2.579 20 0 DFADHO CC(C)([NH3+])CCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000649309027 431062785 /nfs/dbraw/zinc/06/27/85/431062785.db2.gz PLEMHVPXHFFOPP-UHFFFAOYSA-N 1 3 323.506 2.594 20 0 DFADHO C[C@H](NC(=O)C(C)(C)[C@@H](N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000649314635 431065579 /nfs/dbraw/zinc/06/55/79/431065579.db2.gz HPHVXTRRLMWYIP-YOEHRIQHSA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)NCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000662388649 431068460 /nfs/dbraw/zinc/06/84/60/431068460.db2.gz RPQSCMCHKXQCMA-UHFFFAOYSA-N 1 3 303.450 2.855 20 0 DFADHO CN(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248689 431013061 /nfs/dbraw/zinc/01/30/61/431013061.db2.gz ASMRLFMRGNKRCI-CQSZACIVSA-N 1 3 314.351 2.658 20 0 DFADHO c1ccc(CC[N@H+](C[C@H]2CCC3(CNC3)O2)C2CCCC2)cc1 ZINC000662255701 431014817 /nfs/dbraw/zinc/01/48/17/431014817.db2.gz CLWUUVCKSOQCEO-LJQANCHMSA-N 1 3 314.473 2.995 20 0 DFADHO c1ccc(CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C2CCCC2)cc1 ZINC000662255701 431014820 /nfs/dbraw/zinc/01/48/20/431014820.db2.gz CLWUUVCKSOQCEO-LJQANCHMSA-N 1 3 314.473 2.995 20 0 DFADHO Cc1ccc(C[C@H]2CCC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256150 431016459 /nfs/dbraw/zinc/01/64/59/431016459.db2.gz HDZAXVIJGNBRJS-RTBURBONSA-N 1 3 314.473 2.771 20 0 DFADHO Cc1ccc(C[C@H]2CCC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256150 431016464 /nfs/dbraw/zinc/01/64/64/431016464.db2.gz HDZAXVIJGNBRJS-RTBURBONSA-N 1 3 314.473 2.771 20 0 DFADHO C[C@@H]1C[N@H+](C[C@@H]2CCC3(CNC3)O2)CC[C@@H]1c1ccccc1 ZINC000662257541 431017887 /nfs/dbraw/zinc/01/78/87/431017887.db2.gz POTRFTZIJIJPKU-NJAFHUGGSA-N 1 3 300.446 2.633 20 0 DFADHO C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CNC3)O2)CC[C@@H]1c1ccccc1 ZINC000662257541 431017891 /nfs/dbraw/zinc/01/78/91/431017891.db2.gz POTRFTZIJIJPKU-NJAFHUGGSA-N 1 3 300.446 2.633 20 0 DFADHO C[N@H+](CCNC(=O)C[C@@H]1NCc2ccccc21)C1CCCCC1 ZINC000662414504 431076263 /nfs/dbraw/zinc/07/62/63/431076263.db2.gz AEPMHEAYDHJPOA-SFHVURJKSA-N 1 3 315.461 2.602 20 0 DFADHO C[N@@H+](CCNC(=O)C[C@@H]1NCc2ccccc21)C1CCCCC1 ZINC000662414504 431076266 /nfs/dbraw/zinc/07/62/66/431076266.db2.gz AEPMHEAYDHJPOA-SFHVURJKSA-N 1 3 315.461 2.602 20 0 DFADHO Cc1ccc([C@@H](CNC(=O)C[C@@H]([NH3+])C(C)C)N2CCCC2)cc1 ZINC000645801974 431078206 /nfs/dbraw/zinc/07/82/06/431078206.db2.gz YLINIFGZDRSEEH-QZTJIDSGSA-N 1 3 317.477 2.622 20 0 DFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662450617 431085466 /nfs/dbraw/zinc/08/54/66/431085466.db2.gz UBQPXBPCWUJGNL-RKVPGOIHSA-N 1 3 315.461 2.600 20 0 DFADHO CO[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655696943 431087341 /nfs/dbraw/zinc/08/73/41/431087341.db2.gz CUVUJSMSWBLPBT-MOPGFXCFSA-N 1 3 318.461 2.607 20 0 DFADHO c1ccc2c(c1)cccc2CN1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411022 431093673 /nfs/dbraw/zinc/09/36/73/431093673.db2.gz DDXGTJKYKRAQDE-QGZVFWFLSA-N 1 3 309.457 2.567 20 0 DFADHO C[NH+](C)Cc1cccc(CNC(=O)C[C@H]2NCc3ccccc32)c1 ZINC000662526161 431107038 /nfs/dbraw/zinc/10/70/38/431107038.db2.gz SYQDVUJKMBQRLO-LJQANCHMSA-N 1 3 323.440 2.599 20 0 DFADHO C[C@@H]1CC[C@@H](NCc2ccncc2OCCC[NH+](C)C)CS1 ZINC000655767906 431128123 /nfs/dbraw/zinc/12/81/23/431128123.db2.gz MXIGLMSWJSECQM-GDBMZVCRSA-N 1 3 323.506 2.786 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc2c(c1)CNC2 ZINC000316945032 279100696 /nfs/dbraw/zinc/10/06/96/279100696.db2.gz BTJHUZLGCIPERY-CQSZACIVSA-N 1 3 303.450 2.530 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000662622166 431138104 /nfs/dbraw/zinc/13/81/04/431138104.db2.gz PULMNXGDRJAWLY-HOTGVXAUSA-N 1 3 317.477 2.702 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000662622166 431138109 /nfs/dbraw/zinc/13/81/09/431138109.db2.gz PULMNXGDRJAWLY-HOTGVXAUSA-N 1 3 317.477 2.702 20 0 DFADHO C[C@H](CC[NH2+][C@H]1CCN(C)C[C@@H]1C)N(C)Cc1ccccc1 ZINC000156209860 279268201 /nfs/dbraw/zinc/26/82/01/279268201.db2.gz SKGLPIVQOKXOMS-SCTDSRPQSA-N 1 3 303.494 2.827 20 0 DFADHO CN1CCC[C@@H]1C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000649560404 431161960 /nfs/dbraw/zinc/16/19/60/431161960.db2.gz LCXIELPJUMEFDY-LJQANCHMSA-N 1 3 301.478 2.677 20 0 DFADHO CN1CCC[C@@H]1C[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000649560404 431161969 /nfs/dbraw/zinc/16/19/69/431161969.db2.gz LCXIELPJUMEFDY-LJQANCHMSA-N 1 3 301.478 2.677 20 0 DFADHO CCC[NH+]1CCC(N(C)C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662691515 431162399 /nfs/dbraw/zinc/16/23/99/431162399.db2.gz SNUBGMLLUNATLN-GOSISDBHSA-N 1 3 315.461 2.554 20 0 DFADHO C[C@H](CN1CCC(C)CC1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000662691802 431164721 /nfs/dbraw/zinc/16/47/21/431164721.db2.gz AUUYOFHUHWOXHI-AEFFLSMTSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000662693666 431165339 /nfs/dbraw/zinc/16/53/39/431165339.db2.gz KRVLLDUNVUICJN-INIZCTEOSA-N 1 3 309.498 2.522 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000646073978 431173956 /nfs/dbraw/zinc/17/39/56/431173956.db2.gz MRAXYWYEUISECR-VAMGGRTRSA-N 1 3 316.489 2.929 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000646073978 431173963 /nfs/dbraw/zinc/17/39/63/431173963.db2.gz MRAXYWYEUISECR-VAMGGRTRSA-N 1 3 316.489 2.929 20 0 DFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662729040 431175955 /nfs/dbraw/zinc/17/59/55/431175955.db2.gz GAXWALAFINKMPP-OAHLLOKOSA-N 1 3 321.509 2.678 20 0 DFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662729040 431175961 /nfs/dbraw/zinc/17/59/61/431175961.db2.gz GAXWALAFINKMPP-OAHLLOKOSA-N 1 3 321.509 2.678 20 0 DFADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)C1(NC2CC2)CCC1 ZINC000662746027 431185406 /nfs/dbraw/zinc/18/54/06/431185406.db2.gz INZOUTNJXOGIRR-UHFFFAOYSA-N 1 3 319.493 2.574 20 0 DFADHO C[NH+]1CCC2(CC1)CN([C@@H]1CCCc3ccccc31)CCO2 ZINC000646104380 431187257 /nfs/dbraw/zinc/18/72/57/431187257.db2.gz LPQMDOBDNCBNBN-GOSISDBHSA-N 1 3 300.446 2.861 20 0 DFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662787755 431196110 /nfs/dbraw/zinc/19/61/10/431196110.db2.gz FEDUDCWHWWKHCM-INMHGKMJSA-N 1 3 319.493 2.525 20 0 DFADHO COc1cccc(C2CC[NH+](C[C@H](O)CN(C)C(C)C)CC2)c1 ZINC000659864167 431156711 /nfs/dbraw/zinc/15/67/11/431156711.db2.gz JWIUJZOFQJUJKC-GOSISDBHSA-N 1 3 320.477 2.576 20 0 DFADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659864455 431156820 /nfs/dbraw/zinc/15/68/20/431156820.db2.gz LGWXHDIYHXOSGF-IEWDOMPSSA-N 1 3 305.510 2.523 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)c1ccsc1 ZINC000662678850 431158655 /nfs/dbraw/zinc/15/86/55/431158655.db2.gz JYTQJFPHIIFIDA-LSDHHAIUSA-N 1 3 323.506 2.635 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662681717 431159636 /nfs/dbraw/zinc/15/96/36/431159636.db2.gz CCRBKSPUBGIYQN-HZPDHXFCSA-N 1 3 321.509 2.522 20 0 DFADHO CC(C)[C@@H](CNC(=O)C1(NC2CC2)CCC1)[NH+]1CCC(C)CC1 ZINC000662679926 431160227 /nfs/dbraw/zinc/16/02/27/431160227.db2.gz RSPONPJISJFFNB-QGZVFWFLSA-N 1 3 321.509 2.534 20 0 DFADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655907885 431214156 /nfs/dbraw/zinc/21/41/56/431214156.db2.gz PIEQXQZOWFSIAT-DLBZAZTESA-N 1 3 316.449 2.544 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000655910347 431214885 /nfs/dbraw/zinc/21/48/85/431214885.db2.gz YSNNCSRYOYFHNH-UHFFFAOYSA-N 1 3 318.465 2.792 20 0 DFADHO COc1ccc(C2CC[NH+](CC[C@H]3CCCN3C)CC2)nc1 ZINC000649651337 431218545 /nfs/dbraw/zinc/21/85/45/431218545.db2.gz HGBYGHYUHNHVJV-MRXNPFEDSA-N 1 3 303.450 2.754 20 0 DFADHO CN(Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H](O)C1CC1 ZINC000663076511 431280285 /nfs/dbraw/zinc/28/02/85/431280285.db2.gz BFJDBNAQQMOLTC-IBGZPJMESA-N 1 3 302.462 2.875 20 0 DFADHO C[C@H]1CN([C@@H]2C[C@@H]2c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660154158 431294656 /nfs/dbraw/zinc/29/46/56/431294656.db2.gz JIDJWBGVDUFDBL-MTFMMBMASA-N 1 3 313.489 2.500 20 0 DFADHO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646409858 431300901 /nfs/dbraw/zinc/30/09/01/431300901.db2.gz BIYDOPULDBPAQA-ZWKOTPCHSA-N 1 3 317.477 2.703 20 0 DFADHO Cc1ccccc1CN1CCCN(CC[NH2+]C(C)(C)C)CC1 ZINC000666619040 431301302 /nfs/dbraw/zinc/30/13/02/431301302.db2.gz JOLOINHPLBYLTN-UHFFFAOYSA-N 1 3 303.494 2.891 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000656196032 431303123 /nfs/dbraw/zinc/30/31/23/431303123.db2.gz UHTKTSFOUAEFSB-MJBXVCDLSA-N 1 3 309.404 2.651 20 0 DFADHO COc1ccc(C2(C[NH2+][C@H]3CCC[C@@H](N)C3)CCOCC2)cc1 ZINC000656197497 431304585 /nfs/dbraw/zinc/30/45/85/431304585.db2.gz NAJDLIWOZVONGE-SJORKVTESA-N 1 3 318.461 2.603 20 0 DFADHO CC[N@H+](CCCNC(=O)[C@]1(C)CCCCN1)C1CCCCC1 ZINC000653200941 431305336 /nfs/dbraw/zinc/30/53/36/431305336.db2.gz VDTONTQULWZJAX-SFHVURJKSA-N 1 3 309.498 2.680 20 0 DFADHO CC[N@@H+](CCCNC(=O)[C@]1(C)CCCCN1)C1CCCCC1 ZINC000653200941 431305343 /nfs/dbraw/zinc/30/53/43/431305343.db2.gz VDTONTQULWZJAX-SFHVURJKSA-N 1 3 309.498 2.680 20 0 DFADHO CC[N@H+](CCCNC(=O)C1(N)CCCCC1)C1CCCCC1 ZINC000653200662 431305410 /nfs/dbraw/zinc/30/54/10/431305410.db2.gz LMZZURSJSLGWOD-UHFFFAOYSA-N 1 3 309.498 2.809 20 0 DFADHO CC[N@@H+](CCCNC(=O)C1(N)CCCCC1)C1CCCCC1 ZINC000653200662 431305418 /nfs/dbraw/zinc/30/54/18/431305418.db2.gz LMZZURSJSLGWOD-UHFFFAOYSA-N 1 3 309.498 2.809 20 0 DFADHO CC[C@@H](NCc1cc(C2CC[NH2+]CC2)no1)[C@@H]1CCCCO1 ZINC000656201264 431306439 /nfs/dbraw/zinc/30/64/39/431306439.db2.gz MQXPRQRGMKXYKR-WBVHZDCISA-N 1 3 307.438 2.579 20 0 DFADHO CC(C)[C@H]1CN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CCN1 ZINC000646329644 431270892 /nfs/dbraw/zinc/27/08/92/431270892.db2.gz RFVFREGFNNWNMK-IAGOWNOFSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000653117914 431271212 /nfs/dbraw/zinc/27/12/12/431271212.db2.gz ZHDVZBHLIVDAFU-DOTOQJQBSA-N 1 3 317.477 2.622 20 0 DFADHO [NH3+]Cc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000653130842 431275481 /nfs/dbraw/zinc/27/54/81/431275481.db2.gz CXUWQILFZVJEKY-STQMWFEESA-N 1 3 316.323 2.831 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CCOC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000171304240 288153439 /nfs/dbraw/zinc/15/34/39/288153439.db2.gz MVTFOOFEHCOGBT-HZPDHXFCSA-N 1 3 312.498 2.623 20 0 DFADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000666755376 431347197 /nfs/dbraw/zinc/34/71/97/431347197.db2.gz UJPQDLUHYJTMMM-CQSZACIVSA-N 1 3 323.440 2.888 20 0 DFADHO CN(C(=O)CCNCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000663280132 431350912 /nfs/dbraw/zinc/35/09/12/431350912.db2.gz SSPNLTJPFZLNGD-UHFFFAOYSA-N 1 3 317.477 2.894 20 0 DFADHO Brc1cc(CN[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000666950779 431419098 /nfs/dbraw/zinc/41/90/98/431419098.db2.gz GUFAKLHQYOJLPN-JTQLQIEISA-N 1 3 301.253 2.742 20 0 DFADHO FC(F)(F)COc1ccccc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666951963 431419558 /nfs/dbraw/zinc/41/95/58/431419558.db2.gz ADIAPXROZUTXJQ-CQSZACIVSA-N 1 3 314.351 2.859 20 0 DFADHO Cn1nc(CNC2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000656541921 431420054 /nfs/dbraw/zinc/42/00/54/431420054.db2.gz QOCYTFKBORDHBM-UHFFFAOYSA-N 1 3 321.428 2.727 20 0 DFADHO Fc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)cc1Br ZINC000666950962 431420759 /nfs/dbraw/zinc/42/07/59/431420759.db2.gz UCWWJRWCCGLEPH-CYBMUJFWSA-N 1 3 313.214 2.820 20 0 DFADHO Cc1nn(Cc2ccccc2)c(C)c1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666950877 431421137 /nfs/dbraw/zinc/42/11/37/431421137.db2.gz ONRDEVWYNKUXJH-IBGZPJMESA-N 1 3 324.472 2.780 20 0 DFADHO Brc1ccsc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666953668 431422043 /nfs/dbraw/zinc/42/20/43/431422043.db2.gz DQTKVOHUPXYYFV-NSHDSACASA-N 1 3 301.253 2.742 20 0 DFADHO COc1ccc2nc(CN[C@H]3CC34CC[NH2+]CC4)sc2c1 ZINC000666953605 431422101 /nfs/dbraw/zinc/42/21/01/431422101.db2.gz BWUDFVRHXFISFZ-AWEZNQCLSA-N 1 3 303.431 2.537 20 0 DFADHO c1ccc(N2CC[C@H](NC[C@@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663347153 431375502 /nfs/dbraw/zinc/37/55/02/431375502.db2.gz ZWHHUWFBZKZTHO-OALUTQOASA-N 1 3 313.489 2.977 20 0 DFADHO c1ccc(N2CC[C@H](NC[C@@H]3CCC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000663347153 431375507 /nfs/dbraw/zinc/37/55/07/431375507.db2.gz ZWHHUWFBZKZTHO-OALUTQOASA-N 1 3 313.489 2.977 20 0 DFADHO c1ccc(N2CC[C@H]([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000663347153 431375511 /nfs/dbraw/zinc/37/55/11/431375511.db2.gz ZWHHUWFBZKZTHO-OALUTQOASA-N 1 3 313.489 2.977 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CCC[NH2+]CC2)c1C ZINC000666857760 431387595 /nfs/dbraw/zinc/38/75/95/431387595.db2.gz HYPANMJJEHZVKX-HOCLYGCPSA-N 1 3 303.450 2.752 20 0 DFADHO Cc1ccc(CNCC[C@@H]([NH3+])C(C)C)c(-c2cnn(C)c2)c1 ZINC000663503242 431448739 /nfs/dbraw/zinc/44/87/39/431448739.db2.gz LYBWIDANXFVRRM-GOSISDBHSA-N 1 3 300.450 2.859 20 0 DFADHO c1cc2c(ccnc2NCC2([NH+]3CCCC3)CCOCC2)[nH]1 ZINC000663546141 431462128 /nfs/dbraw/zinc/46/21/28/431462128.db2.gz LDMMEUWWHIQENT-UHFFFAOYSA-N 1 3 300.406 2.620 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1cccc(CO)c1 ZINC000663471819 431436248 /nfs/dbraw/zinc/43/62/48/431436248.db2.gz YMWJHGYVRQEWOX-QAPCUYQASA-N 1 3 302.462 2.952 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000660538161 431480223 /nfs/dbraw/zinc/48/02/23/431480223.db2.gz NDVFPVCVQSQBSX-HAGHYFMRSA-N 1 3 316.489 2.956 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000660538161 431480228 /nfs/dbraw/zinc/48/02/28/431480228.db2.gz NDVFPVCVQSQBSX-HAGHYFMRSA-N 1 3 316.489 2.956 20 0 DFADHO COc1cc(C)nc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656782000 431521055 /nfs/dbraw/zinc/52/10/55/431521055.db2.gz CBMKUXKKEFBADC-MRXNPFEDSA-N 1 3 303.450 2.610 20 0 DFADHO CCOc1cccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000656785686 431522220 /nfs/dbraw/zinc/52/22/20/431522220.db2.gz IFVNEUMNCMVFPT-INIZCTEOSA-N 1 3 303.450 2.692 20 0 DFADHO c1cc2c(c(CN3CCC([C@@H]4CCC[NH2+]C4)CC3)c1)OCO2 ZINC000656786960 431522921 /nfs/dbraw/zinc/52/29/21/431522921.db2.gz YGUSXKKQXNZOEY-OAHLLOKOSA-N 1 3 302.418 2.627 20 0 DFADHO c1cc2c(c(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)c1)OCO2 ZINC000656785139 431523153 /nfs/dbraw/zinc/52/31/53/431523153.db2.gz JJYHWBMQUDGMJB-OAHLLOKOSA-N 1 3 302.418 2.627 20 0 DFADHO c1cc([C@@H]2CNCCO2)ccc1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000656793234 431524259 /nfs/dbraw/zinc/52/42/59/431524259.db2.gz RKPLZODTQYPELF-MANSERQUSA-N 1 3 315.461 2.680 20 0 DFADHO c1cc2c(cc1CNc1ccc([C@@H]3CNCCO3)cc1)C[NH2+]CC2 ZINC000656790959 431525616 /nfs/dbraw/zinc/52/56/16/431525616.db2.gz BTXLTWNBQRFVJB-FQEVSTJZSA-N 1 3 323.440 2.605 20 0 DFADHO Cc1ncsc1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647249007 431529893 /nfs/dbraw/zinc/52/98/93/431529893.db2.gz XIPFLLUQJIWECC-CVEARBPZSA-N 1 3 301.459 2.887 20 0 DFADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@H]1CCc1ccccc1 ZINC000656701537 431486347 /nfs/dbraw/zinc/48/63/47/431486347.db2.gz XCWPJXFHTGEXJX-RBUKOAKNSA-N 1 3 304.478 2.785 20 0 DFADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@H]1CCc1ccccc1 ZINC000656701537 431486348 /nfs/dbraw/zinc/48/63/48/431486348.db2.gz XCWPJXFHTGEXJX-RBUKOAKNSA-N 1 3 304.478 2.785 20 0 DFADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CO[C@@H](C)C2)cc1 ZINC000647171928 431492585 /nfs/dbraw/zinc/49/25/85/431492585.db2.gz AWDOPETXZNNTCC-DOTOQJQBSA-N 1 3 306.450 2.674 20 0 DFADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CO[C@@H](C)C2)cc1 ZINC000647171930 431492705 /nfs/dbraw/zinc/49/27/05/431492705.db2.gz AWDOPETXZNNTCC-RDJZCZTQSA-N 1 3 306.450 2.674 20 0 DFADHO CC(C)Cn1nccc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000647184926 431499593 /nfs/dbraw/zinc/49/95/93/431499593.db2.gz IILOHCKARFVUOC-CALCHBBNSA-N 1 3 322.497 2.518 20 0 DFADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000660657674 431535593 /nfs/dbraw/zinc/53/55/93/431535593.db2.gz RYKWXPNOWHTDIM-LJQANCHMSA-N 1 3 310.445 2.790 20 0 DFADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000660657674 431535598 /nfs/dbraw/zinc/53/55/98/431535598.db2.gz RYKWXPNOWHTDIM-LJQANCHMSA-N 1 3 310.445 2.790 20 0 DFADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000366821289 280329889 /nfs/dbraw/zinc/32/98/89/280329889.db2.gz IBSPYXAPSAEVRR-DODZYUBVSA-N 1 3 307.526 2.959 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3scnc3C3CC3)C2)C1 ZINC000650707746 431654658 /nfs/dbraw/zinc/65/46/58/431654658.db2.gz MGLRRVKRLOKGBG-ZNMIVQPWSA-N 1 3 321.490 2.739 20 0 DFADHO COc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(F)c1 ZINC000650708982 431657565 /nfs/dbraw/zinc/65/75/65/431657565.db2.gz XSPOLHAEFUENRB-HDMKZQKVSA-N 1 3 322.424 2.553 20 0 DFADHO COc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(F)c1 ZINC000650708981 431657807 /nfs/dbraw/zinc/65/78/07/431657807.db2.gz XSPOLHAEFUENRB-DAYGRLMNSA-N 1 3 322.424 2.553 20 0 DFADHO CCOc1cccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647543959 431623619 /nfs/dbraw/zinc/62/36/19/431623619.db2.gz UVRMOJLXIYCFTA-HZPDHXFCSA-N 1 3 303.450 2.692 20 0 DFADHO Cc1ccc2ncc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543327 431626259 /nfs/dbraw/zinc/62/62/59/431626259.db2.gz LALCVKDDOLLADN-IRXDYDNUSA-N 1 3 312.461 2.854 20 0 DFADHO c1coc(-c2nc(CN[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cs2)c1 ZINC000647549913 431627892 /nfs/dbraw/zinc/62/78/92/431627892.db2.gz XLTXMHMXSMBQBX-YNEHKIRRSA-N 1 3 303.431 2.881 20 0 DFADHO Cc1c(Br)cncc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000657306884 431661740 /nfs/dbraw/zinc/66/17/40/431661740.db2.gz AXAHBLPIIYDEOY-GFCCVEGCSA-N 1 3 324.266 2.726 20 0 DFADHO CCN1CCN(CCC[NH2+]Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000657308117 431666876 /nfs/dbraw/zinc/66/68/76/431666876.db2.gz NOBJTOOQPCOAAX-UHFFFAOYSA-N 1 3 314.477 2.594 20 0 DFADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000657314825 431669808 /nfs/dbraw/zinc/66/98/08/431669808.db2.gz AZDRKGREBIHNID-WBVHZDCISA-N 1 3 306.450 2.532 20 0 DFADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657337373 431682372 /nfs/dbraw/zinc/68/23/72/431682372.db2.gz SFIULJGGZPJSAC-PKOBYXMFSA-N 1 3 318.461 2.676 20 0 DFADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccccc1-n1ccnn1 ZINC000650756188 431683176 /nfs/dbraw/zinc/68/31/76/431683176.db2.gz WGPMGXPYLNPQNH-HNNXBMFYSA-N 1 3 321.428 2.838 20 0 DFADHO CN1CCN(CCCC[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657308349 431663826 /nfs/dbraw/zinc/66/38/26/431663826.db2.gz QSZSNXGQEJNUBZ-UHFFFAOYSA-N 1 3 307.526 2.963 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@H]1NC1CC[NH+](CC(C)(C)O)CC1 ZINC000647909574 431725406 /nfs/dbraw/zinc/72/54/06/431725406.db2.gz YMELGZKXRYYYHS-KDOFPFPSSA-N 1 3 302.462 2.745 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000647964155 431754383 /nfs/dbraw/zinc/75/43/83/431754383.db2.gz VJCKSAOBOBXKNS-RTBURBONSA-N 1 3 304.478 2.741 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000647964155 431754390 /nfs/dbraw/zinc/75/43/90/431754390.db2.gz VJCKSAOBOBXKNS-RTBURBONSA-N 1 3 304.478 2.741 20 0 DFADHO C[C@@H]1C[N@H+](CCCNCc2cc3ccncc3s2)CCCO1 ZINC000657448538 431755750 /nfs/dbraw/zinc/75/57/50/431755750.db2.gz LBCIMKNYNSNNPT-CQSZACIVSA-N 1 3 319.474 2.887 20 0 DFADHO C[C@@H]1C[N@@H+](CCCNCc2cc3ccncc3s2)CCCO1 ZINC000657448538 431755757 /nfs/dbraw/zinc/75/57/57/431755757.db2.gz LBCIMKNYNSNNPT-CQSZACIVSA-N 1 3 319.474 2.887 20 0 DFADHO CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@H]1CC[NH2+]C1 ZINC000647881025 431716245 /nfs/dbraw/zinc/71/62/45/431716245.db2.gz VYGAGMQYIAFWNB-CQSZACIVSA-N 1 3 316.424 2.690 20 0 DFADHO CCc1cc(NCC2CCN(Cc3ccncc3)CC2)cc[nH+]1 ZINC000664283001 431723370 /nfs/dbraw/zinc/72/33/70/431723370.db2.gz GVXLKCMSNFZIDU-UHFFFAOYSA-N 1 3 310.445 2.785 20 0 DFADHO Fc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000657535747 431800216 /nfs/dbraw/zinc/80/02/16/431800216.db2.gz BHSZTEHEXQTPCH-UHFFFAOYSA-N 1 3 324.415 2.945 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000657573681 431815258 /nfs/dbraw/zinc/81/52/58/431815258.db2.gz OMAYQHDSEDUCGJ-ZOBUZTSGSA-N 1 3 307.482 2.765 20 0 DFADHO Cc1nc2sccn2c1CN(C)CCCC1CC[NH2+]CC1 ZINC000647988531 431766921 /nfs/dbraw/zinc/76/69/21/431766921.db2.gz YENUYYPXLZHSON-UHFFFAOYSA-N 1 3 306.479 2.916 20 0 DFADHO Cc1nc(N2CCN(CCCC3CC[NH2+]CC3)CC2)sc1C ZINC000647989112 431767356 /nfs/dbraw/zinc/76/73/56/431767356.db2.gz JVMJWDMWNGNOIW-UHFFFAOYSA-N 1 3 322.522 2.662 20 0 DFADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(F)cc3)cc2)C1 ZINC000657593496 431821414 /nfs/dbraw/zinc/82/14/14/431821414.db2.gz HZFABLDHNZCYPS-LJQANCHMSA-N 1 3 314.404 2.682 20 0 DFADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(F)cc3)cc2)C1 ZINC000657593496 431821418 /nfs/dbraw/zinc/82/14/18/431821418.db2.gz HZFABLDHNZCYPS-LJQANCHMSA-N 1 3 314.404 2.682 20 0 DFADHO FC1(F)C[C@@H]1OCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000657619835 431827134 /nfs/dbraw/zinc/82/71/34/431827134.db2.gz VBVBSSPQIKJTMT-KRWDZBQOSA-N 1 3 324.415 2.707 20 0 DFADHO Cc1ccc([C@H]2CCN(C[C@H](O)C[N@@H+](C)C3CC3)C2)c(C)c1 ZINC000289482430 281000553 /nfs/dbraw/zinc/00/05/53/281000553.db2.gz YDPLYVPJYRGLON-FUHWJXTLSA-N 1 3 302.462 2.548 20 0 DFADHO Cc1ccc([C@H]2CCN(C[C@H](O)C[N@H+](C)C3CC3)C2)c(C)c1 ZINC000289482430 281000555 /nfs/dbraw/zinc/00/05/55/281000555.db2.gz YDPLYVPJYRGLON-FUHWJXTLSA-N 1 3 302.462 2.548 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C3CCN(C)CC3)C1)CC2 ZINC000370634078 281095777 /nfs/dbraw/zinc/09/57/77/281095777.db2.gz JRNBGWOSVKQNFU-XLIONFOSSA-N 1 3 313.489 2.740 20 0 DFADHO Cc1ccc2c(c1)[C@H](NC1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CC2 ZINC000271485082 281116759 /nfs/dbraw/zinc/11/67/59/281116759.db2.gz JORIRVZXUZRQRW-AABGKKOBSA-N 1 3 314.473 2.950 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000274805360 282024909 /nfs/dbraw/zinc/02/49/09/282024909.db2.gz UCEJVTKBWKIALE-UXLLHSPISA-N 1 3 319.493 2.961 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(CC)C2)cc1 ZINC000412841981 289100212 /nfs/dbraw/zinc/10/02/12/289100212.db2.gz NRKJIQVTYPFYCQ-GOSISDBHSA-N 1 3 317.477 2.743 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(CC)C2)cc1 ZINC000412841981 289100217 /nfs/dbraw/zinc/10/02/17/289100217.db2.gz NRKJIQVTYPFYCQ-GOSISDBHSA-N 1 3 317.477 2.743 20 0 DFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418577515 289153034 /nfs/dbraw/zinc/15/30/34/289153034.db2.gz IHURBCVUNNDSAN-IAGOWNOFSA-N 1 3 324.513 2.554 20 0 DFADHO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)N1CCCCCC1 ZINC000174383204 289301309 /nfs/dbraw/zinc/30/13/09/289301309.db2.gz NLXXTLFCTMOGKY-QZTJIDSGSA-N 1 3 321.509 2.585 20 0 DFADHO Cc1ccnc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000286207847 292794077 /nfs/dbraw/zinc/79/40/77/292794077.db2.gz RXLIYWKRAWNWJN-ULQDDVLXSA-N 1 3 305.466 2.930 20 0 DFADHO [NH3+]C1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCCCC1 ZINC000237920973 295203509 /nfs/dbraw/zinc/20/35/09/295203509.db2.gz FIFYUPTZFOEVHY-CQSZACIVSA-N 1 3 321.490 2.663 20 0 DFADHO CCc1nc(C)c([C@H](C)[NH2+]CCCCN2CCN(C)CC2)s1 ZINC000154342494 295297496 /nfs/dbraw/zinc/29/74/96/295297496.db2.gz BRBBMCBVTITAKN-AWEZNQCLSA-N 1 3 324.538 2.692 20 0 DFADHO Cc1ccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1C ZINC000154375626 295298558 /nfs/dbraw/zinc/29/85/58/295298558.db2.gz KDAVJLYIUGJEGL-GOSISDBHSA-N 1 3 303.494 2.982 20 0 DFADHO COCCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158144431 295358581 /nfs/dbraw/zinc/35/85/81/295358581.db2.gz PLHULKAATNACGL-CVEARBPZSA-N 1 3 306.450 2.704 20 0 DFADHO COCCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158144431 295358582 /nfs/dbraw/zinc/35/85/82/295358582.db2.gz PLHULKAATNACGL-CVEARBPZSA-N 1 3 306.450 2.704 20 0 DFADHO COc1ccccc1CN(C[C@@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000178958647 295361224 /nfs/dbraw/zinc/36/12/24/295361224.db2.gz SPSDWUPVZRKLIT-SFHVURJKSA-N 1 3 318.461 2.676 20 0 DFADHO CC1CCC([NH+]2CCC(NC(=O)[C@@H](N)C(C)(C)C)CC2)CC1 ZINC000370763225 295462790 /nfs/dbraw/zinc/46/27/90/295462790.db2.gz HFLZXJALLKTRSO-AVVWSFFYSA-N 1 3 309.498 2.519 20 0 DFADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(O)(C[NH3+])CC1 ZINC000396961393 295486389 /nfs/dbraw/zinc/48/63/89/295486389.db2.gz BYYILYFAABRHSB-NSHDSACASA-N 1 3 302.340 2.552 20 0 DFADHO C[C@H]1CN(CC2CC[NH+](CCc3cncs3)CC2)C[C@H](C)O1 ZINC000411223118 295532442 /nfs/dbraw/zinc/53/24/42/295532442.db2.gz XPBKDXRLSRDAMH-GJZGRUSLSA-N 1 3 323.506 2.507 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000411365047 295535886 /nfs/dbraw/zinc/53/58/86/295535886.db2.gz MTKOKKUZBPOVJM-DLBZAZTESA-N 1 3 323.525 2.781 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@H]2CCC[C@H]2CCC(C)C)CC1 ZINC000411607770 295548602 /nfs/dbraw/zinc/54/86/02/295548602.db2.gz KERZYBBYOCNQPA-WMZOPIPTSA-N 1 3 323.525 2.781 20 0 DFADHO CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C)N(CC)CC ZINC000439701295 297135665 /nfs/dbraw/zinc/13/56/65/297135665.db2.gz JKOQOQRBADGZOZ-IAGOWNOFSA-N 1 3 311.514 2.734 20 0 DFADHO CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C)N(CC)CC ZINC000439701295 297135667 /nfs/dbraw/zinc/13/56/67/297135667.db2.gz JKOQOQRBADGZOZ-IAGOWNOFSA-N 1 3 311.514 2.734 20 0 DFADHO c1nc(-c2ccncc2)sc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000440328718 297150179 /nfs/dbraw/zinc/15/01/79/297150179.db2.gz PNWMGOJZSLYWCA-ZDUSSCGKSA-N 1 3 314.458 2.779 20 0 DFADHO [NH3+]CC[C@@H]1CCCN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000442921772 297211092 /nfs/dbraw/zinc/21/10/92/297211092.db2.gz JRZMMWCJHMKTSA-LBPRGKRZSA-N 1 3 304.463 2.834 20 0 DFADHO Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000443062690 297214451 /nfs/dbraw/zinc/21/44/51/297214451.db2.gz UZXKYCUBZUIFBG-IRXDYDNUSA-N 1 3 317.477 3.000 20 0 DFADHO Cc1ccc([C@H](C)NC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1C ZINC000443068426 297214767 /nfs/dbraw/zinc/21/47/67/297214767.db2.gz ICOBGTUZEJCNLE-DLBZAZTESA-N 1 3 317.477 2.541 20 0 DFADHO CC(C)CSCCC[NH+]1CCC(N(C)C[C@H](C)O)CC1 ZINC000443625698 297223351 /nfs/dbraw/zinc/22/33/51/297223351.db2.gz HKAUCGFVLVJUOJ-HNNXBMFYSA-N 1 3 302.528 2.543 20 0 DFADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(-c2ccncc2)cc1 ZINC000447597032 297309971 /nfs/dbraw/zinc/30/99/71/297309971.db2.gz DCPKJIUNLAZBAF-INIZCTEOSA-N 1 3 313.445 2.977 20 0 DFADHO C[C@@H](CCNC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000447822094 297318887 /nfs/dbraw/zinc/31/88/87/297318887.db2.gz PAOAXNRWQDXVQR-PKOBYXMFSA-N 1 3 304.478 2.863 20 0 DFADHO Cc1nccn1CCN1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000448552345 297342659 /nfs/dbraw/zinc/34/26/59/297342659.db2.gz VCVVMJIAIFKYHI-KRWDZBQOSA-N 1 3 312.461 2.645 20 0 DFADHO Cc1nccn1CCN1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000448552345 297342660 /nfs/dbraw/zinc/34/26/60/297342660.db2.gz VCVVMJIAIFKYHI-KRWDZBQOSA-N 1 3 312.461 2.645 20 0 DFADHO Cc1nccn1CCN1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000448552346 297342698 /nfs/dbraw/zinc/34/26/98/297342698.db2.gz VCVVMJIAIFKYHI-QGZVFWFLSA-N 1 3 312.461 2.645 20 0 DFADHO Cc1nccn1CCN1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000448552346 297342699 /nfs/dbraw/zinc/34/26/99/297342699.db2.gz VCVVMJIAIFKYHI-QGZVFWFLSA-N 1 3 312.461 2.645 20 0 DFADHO COc1cc(F)cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000449103656 297405844 /nfs/dbraw/zinc/40/58/44/297405844.db2.gz RLEGTFOLWHBVNX-HUUCEWRRSA-N 1 3 324.440 2.813 20 0 DFADHO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000453073584 298059677 /nfs/dbraw/zinc/05/96/77/298059677.db2.gz FMDKDUGCNWMIDK-GOSISDBHSA-N 1 3 300.450 2.759 20 0 DFADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccncc1 ZINC000453157528 298067624 /nfs/dbraw/zinc/06/76/24/298067624.db2.gz GOIHOFFJEWUILP-OTWHNJEPSA-N 1 3 317.477 2.890 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)CO2 ZINC000453195958 298070897 /nfs/dbraw/zinc/07/08/97/298070897.db2.gz QJRXGGHCYBIYKR-NVXWUHKLSA-N 1 3 318.461 2.853 20 0 DFADHO CC[NH2+][C@H](C)CN[C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496216448 300031385 /nfs/dbraw/zinc/03/13/85/300031385.db2.gz GKWRMZCRBCOLQC-CVEARBPZSA-N 1 3 319.449 2.628 20 0 DFADHO C[C@H](CC[NH2+]CCCNC(=O)OC(C)(C)C)N1CCCCC1 ZINC000496574527 300082067 /nfs/dbraw/zinc/08/20/67/300082067.db2.gz XQLSQQMDJRLXHL-OAHLLOKOSA-N 1 3 313.486 2.755 20 0 DFADHO C[C@H](CCNCCCNC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000496574527 300082070 /nfs/dbraw/zinc/08/20/70/300082070.db2.gz XQLSQQMDJRLXHL-OAHLLOKOSA-N 1 3 313.486 2.755 20 0 DFADHO CC[C@H](CN[C@H]1CC[N@H+](CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000497157763 300170448 /nfs/dbraw/zinc/17/04/48/300170448.db2.gz DNXRTLZBULUUBK-ZNMIVQPWSA-N 1 3 313.486 2.610 20 0 DFADHO CC[C@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000497157763 300170450 /nfs/dbraw/zinc/17/04/50/300170450.db2.gz DNXRTLZBULUUBK-ZNMIVQPWSA-N 1 3 313.486 2.610 20 0 DFADHO O[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000507461400 300235667 /nfs/dbraw/zinc/23/56/67/300235667.db2.gz LUHLBRUZSLPQSK-LTFPLMDUSA-N 1 3 314.473 2.790 20 0 DFADHO COc1cc(F)c(CNCCC2CC[NH+](C)CC2)cc1OC ZINC000514865223 300276618 /nfs/dbraw/zinc/27/66/18/300276618.db2.gz FHWRYVBRVRLVMR-UHFFFAOYSA-N 1 3 310.413 2.664 20 0 DFADHO CCc1cccc(F)c1CN(C)CCCN(C)CC[NH+](C)C ZINC000515018821 300284817 /nfs/dbraw/zinc/28/48/17/300284817.db2.gz KEXSOWVHDUTUOW-UHFFFAOYSA-N 1 3 309.473 2.703 20 0 DFADHO C[C@@H]1CCN(CCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000515062655 300288288 /nfs/dbraw/zinc/28/82/88/300288288.db2.gz KGEPKMCCISGBSM-WBVHZDCISA-N 1 3 309.498 2.522 20 0 DFADHO C[NH+](C)CC1CCC(NC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000515219679 300296279 /nfs/dbraw/zinc/29/62/79/300296279.db2.gz CSPVXUJUNJCONN-UHFFFAOYSA-N 1 3 316.449 2.532 20 0 DFADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cc(F)cc(Cl)c1 ZINC000516817003 300361922 /nfs/dbraw/zinc/36/19/22/300361922.db2.gz YAXGQIZRWOFWAR-UHFFFAOYSA-N 1 3 315.864 2.794 20 0 DFADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cc(F)cc(Cl)c1 ZINC000516817003 300361924 /nfs/dbraw/zinc/36/19/24/300361924.db2.gz YAXGQIZRWOFWAR-UHFFFAOYSA-N 1 3 315.864 2.794 20 0 DFADHO C[C@@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)[C@H]1CCCNC1 ZINC000517023973 300377970 /nfs/dbraw/zinc/37/79/70/300377970.db2.gz JORCVYHIGBUJHT-SVUBNXHSSA-N 1 3 302.462 2.520 20 0 DFADHO C[C@@H](NCC1(CO)CC(c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000517023973 300377973 /nfs/dbraw/zinc/37/79/73/300377973.db2.gz JORCVYHIGBUJHT-SVUBNXHSSA-N 1 3 302.462 2.520 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc2c(c1)OCCNC2 ZINC000530247484 301033651 /nfs/dbraw/zinc/03/36/51/301033651.db2.gz UVVZXITZJFBTAQ-GOEBONIOSA-N 1 3 303.450 2.891 20 0 DFADHO CC(C)[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CC1 ZINC000531708397 301105227 /nfs/dbraw/zinc/10/52/27/301105227.db2.gz JLHKRAAENHSXGH-LJQANCHMSA-N 1 3 316.493 2.618 20 0 DFADHO C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCCN(C[C@@H]2CCCOC2)CC1 ZINC000533606411 301210100 /nfs/dbraw/zinc/21/01/00/301210100.db2.gz GTBOEDOMYNCUTA-GBESFXJTSA-N 1 3 324.509 2.626 20 0 DFADHO C[N@@H+](C[C@@H]1CCCOC1)[C@@H]1CCCN(C[C@@H]2CCCOC2)CC1 ZINC000533606411 301210104 /nfs/dbraw/zinc/21/01/04/301210104.db2.gz GTBOEDOMYNCUTA-GBESFXJTSA-N 1 3 324.509 2.626 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534977642 301240828 /nfs/dbraw/zinc/24/08/28/301240828.db2.gz XDDXBILNTRJZNF-MRXNPFEDSA-N 1 3 308.853 2.764 20 0 DFADHO CCc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)s1 ZINC000536664474 301286731 /nfs/dbraw/zinc/28/67/31/301286731.db2.gz DLTACTDNTQXYPX-YJBOKZPZSA-N 1 3 321.534 2.768 20 0 DFADHO CC(C)n1cnnc1[C@H]1CCC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000536749571 301289746 /nfs/dbraw/zinc/28/97/46/301289746.db2.gz IOKXIXYYFSVCSU-DLBZAZTESA-N 1 3 319.497 2.913 20 0 DFADHO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000536749571 301289748 /nfs/dbraw/zinc/28/97/48/301289748.db2.gz IOKXIXYYFSVCSU-DLBZAZTESA-N 1 3 319.497 2.913 20 0 DFADHO CC(C)n1cnnc1[C@H]1CCC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000536749573 301289906 /nfs/dbraw/zinc/28/99/06/301289906.db2.gz IOKXIXYYFSVCSU-IRXDYDNUSA-N 1 3 319.497 2.913 20 0 DFADHO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000536749573 301289908 /nfs/dbraw/zinc/28/99/08/301289908.db2.gz IOKXIXYYFSVCSU-IRXDYDNUSA-N 1 3 319.497 2.913 20 0 DFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(F)c1F ZINC000538454535 301321702 /nfs/dbraw/zinc/32/17/02/301321702.db2.gz XIFAMFAMWROEIM-CQSZACIVSA-N 1 3 311.420 2.643 20 0 DFADHO CC[N@@H+]1CC[C@H](Nc2cccc(OCCN(C)C)c2)[C@H](C)C1 ZINC000540839561 301370396 /nfs/dbraw/zinc/37/03/96/301370396.db2.gz WEIWJICMRSHRMX-QAPCUYQASA-N 1 3 305.466 2.769 20 0 DFADHO CC[N@H+]1CC[C@H](Nc2cccc(OCCN(C)C)c2)[C@H](C)C1 ZINC000540839561 301370400 /nfs/dbraw/zinc/37/04/00/301370400.db2.gz WEIWJICMRSHRMX-QAPCUYQASA-N 1 3 305.466 2.769 20 0 DFADHO Cc1cc2c(cc1C)[C@@H]([NH2+]CC1(O)CCN(C)CC1)CCCO2 ZINC000361881828 301443380 /nfs/dbraw/zinc/44/33/80/301443380.db2.gz WYYKWTSJSHSLJQ-KRWDZBQOSA-N 1 3 318.461 2.563 20 0 DFADHO C[C@H](NCCc1nc(C(F)(F)F)cs1)[C@H]1CCC[NH2+]C1 ZINC000562958959 302018254 /nfs/dbraw/zinc/01/82/54/302018254.db2.gz GDISFHLASRJWQC-UWVGGRQHSA-N 1 3 307.385 2.682 20 0 DFADHO CC1CCC(O)(C[NH2+]Cc2cccc(OCCN(C)C)c2)CC1 ZINC000562984945 302021577 /nfs/dbraw/zinc/02/15/77/302021577.db2.gz NDULAXWNIMPXGR-UHFFFAOYSA-N 1 3 320.477 2.658 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000563422711 302070996 /nfs/dbraw/zinc/07/09/96/302070996.db2.gz ASOLRJLXDCYMST-OLZOCXBDSA-N 1 3 317.355 2.729 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000563422711 302070999 /nfs/dbraw/zinc/07/09/99/302070999.db2.gz ASOLRJLXDCYMST-OLZOCXBDSA-N 1 3 317.355 2.729 20 0 DFADHO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000563492005 302076832 /nfs/dbraw/zinc/07/68/32/302076832.db2.gz CJOWTQBCWDYXPB-YVSFHVDLSA-N 1 3 309.498 2.581 20 0 DFADHO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000563492005 302076834 /nfs/dbraw/zinc/07/68/34/302076834.db2.gz CJOWTQBCWDYXPB-YVSFHVDLSA-N 1 3 309.498 2.581 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NC[C@@H]2C[C@H](F)CN2Cc2cccs2)C1 ZINC000564099392 302119348 /nfs/dbraw/zinc/11/93/48/302119348.db2.gz JXDGKRPFXBTBNP-XQLPTFJDSA-N 1 3 311.470 2.520 20 0 DFADHO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]1CCCNC1 ZINC000564714028 302152715 /nfs/dbraw/zinc/15/27/15/302152715.db2.gz RRXRVYBJXYNWJB-XYJFISCASA-N 1 3 316.493 2.585 20 0 DFADHO CC(=O)Nc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000564823844 302161116 /nfs/dbraw/zinc/16/11/16/302161116.db2.gz NDGHXDFDQATXJC-IPMKNSEASA-N 1 3 315.461 2.698 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000564826619 302161554 /nfs/dbraw/zinc/16/15/54/302161554.db2.gz YZWCOCCVLNMAQC-JBBXEZCESA-N 1 3 303.450 2.705 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000564941154 302175890 /nfs/dbraw/zinc/17/58/90/302175890.db2.gz ALTGAYDKZANBQW-ZWKOTPCHSA-N 1 3 317.477 2.800 20 0 DFADHO CC[NH+](CC)CCCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000565192962 302205345 /nfs/dbraw/zinc/20/53/45/302205345.db2.gz SBOHYJHGWRWURO-KRWDZBQOSA-N 1 3 323.525 2.689 20 0 DFADHO CC[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000565491831 302227784 /nfs/dbraw/zinc/22/77/84/302227784.db2.gz RVHUEYMUXSVCFU-CEXWTWQISA-N 1 3 301.478 2.683 20 0 DFADHO CC[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000565491837 302227805 /nfs/dbraw/zinc/22/78/05/302227805.db2.gz RVHUEYMUXSVCFU-GUDVDZBRSA-N 1 3 301.478 2.683 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1CN(C)C ZINC000565809698 302243479 /nfs/dbraw/zinc/24/34/79/302243479.db2.gz DXEHRDRWDFRSQQ-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1CN(C)C ZINC000565809698 302243481 /nfs/dbraw/zinc/24/34/81/302243481.db2.gz DXEHRDRWDFRSQQ-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO c1cc2c(cc1C[NH2+][C@H]1CCCC13CCOCC3)CNCC2 ZINC000565838856 302244253 /nfs/dbraw/zinc/24/42/53/302244253.db2.gz UFRQBSBWPFBAPD-SFHVURJKSA-N 1 3 300.446 2.771 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc2c1CCNC2 ZINC000565949557 302250100 /nfs/dbraw/zinc/25/01/00/302250100.db2.gz ZBWJKQGKSIZONY-OAHLLOKOSA-N 1 3 301.434 2.535 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc2c1CCNC2 ZINC000565949557 302250101 /nfs/dbraw/zinc/25/01/01/302250101.db2.gz ZBWJKQGKSIZONY-OAHLLOKOSA-N 1 3 301.434 2.535 20 0 DFADHO N[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000566089238 302258593 /nfs/dbraw/zinc/25/85/93/302258593.db2.gz JDKWKPQNLBPMQL-UXHICEINSA-N 1 3 322.456 2.780 20 0 DFADHO [NH3+][C@@H]1C[C@H](NC2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000566089238 302258594 /nfs/dbraw/zinc/25/85/94/302258594.db2.gz JDKWKPQNLBPMQL-UXHICEINSA-N 1 3 322.456 2.780 20 0 DFADHO C[C@H](C[NH2+]C[C@H](O)CCc1ccccc1)CN1CCCCC1 ZINC000566106370 302260274 /nfs/dbraw/zinc/26/02/74/302260274.db2.gz NSZAWUCLZNBWQE-IEBWSBKVSA-N 1 3 304.478 2.692 20 0 DFADHO C[C@H](CNC[C@H](O)CCc1ccccc1)C[NH+]1CCCCC1 ZINC000566106370 302260276 /nfs/dbraw/zinc/26/02/76/302260276.db2.gz NSZAWUCLZNBWQE-IEBWSBKVSA-N 1 3 304.478 2.692 20 0 DFADHO CC(C)N1CCCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000566200881 302267529 /nfs/dbraw/zinc/26/75/29/302267529.db2.gz IMOFJFXGLDBUGZ-WMLDXEAASA-N 1 3 303.450 2.585 20 0 DFADHO CN(Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1COc2ccccc2O1 ZINC000566860925 302318034 /nfs/dbraw/zinc/31/80/34/302318034.db2.gz HMCGDWJGIRIGNX-GOSISDBHSA-N 1 3 324.424 2.604 20 0 DFADHO C[NH+](C)[C@@H](CNCCC(=O)Nc1cccnc1)C1CCCCC1 ZINC000567160362 302340336 /nfs/dbraw/zinc/34/03/36/302340336.db2.gz DFIWLWMTRPRAGP-KRWDZBQOSA-N 1 3 318.465 2.510 20 0 DFADHO CC[C@@H](C)[C@@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000567484163 302363054 /nfs/dbraw/zinc/36/30/54/302363054.db2.gz IMQBUAVADQYUSW-HZPDHXFCSA-N 1 3 323.525 2.734 20 0 DFADHO Cc1ncc2c(n1)CC[C@H](N[C@@H](C)C[C@@H]1CCCCC[NH2+]1)C2 ZINC000567641216 302375769 /nfs/dbraw/zinc/37/57/69/302375769.db2.gz OQILYIHYFRBRIX-JQFCIGGWSA-N 1 3 302.466 2.543 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000567642380 302375992 /nfs/dbraw/zinc/37/59/92/302375992.db2.gz RELFOFGVAIHTKU-WMZOPIPTSA-N 1 3 324.428 2.551 20 0 DFADHO CN1CCN(CCCC[NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000569433266 302517596 /nfs/dbraw/zinc/51/75/96/302517596.db2.gz QQWDTMKAGUFPBT-UHFFFAOYSA-N 1 3 315.505 2.724 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000574268969 302749602 /nfs/dbraw/zinc/74/96/02/302749602.db2.gz OZWVHLIOUISVGZ-BKVYNOPKSA-N 1 3 302.462 2.650 20 0 DFADHO Cc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)c(C)s1 ZINC000180927175 316045972 /nfs/dbraw/zinc/04/59/72/316045972.db2.gz SSKQGRRXRGPFRT-UHFFFAOYSA-N 1 3 309.523 2.823 20 0 DFADHO C[C@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH+]1CCCCC1 ZINC000182249835 316092755 /nfs/dbraw/zinc/09/27/55/316092755.db2.gz OBIMILXBJBVJQE-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO COc1ccc(C[C@@H](C)CN2CC[C@H](C[NH+](C)C)C2)cc1F ZINC000185321980 316186042 /nfs/dbraw/zinc/18/60/42/316186042.db2.gz XAMPAJWHTRDVGC-GDBMZVCRSA-N 1 3 308.441 2.896 20 0 DFADHO C[C@@H](NCCN1CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686687 316189906 /nfs/dbraw/zinc/18/99/06/316189906.db2.gz WUECUVXKHWAMCQ-MSOLQXFVSA-N 1 3 307.526 2.961 20 0 DFADHO C[C@@H](NCCN1CCC(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686687 316189908 /nfs/dbraw/zinc/18/99/08/316189908.db2.gz WUECUVXKHWAMCQ-MSOLQXFVSA-N 1 3 307.526 2.961 20 0 DFADHO COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C)N(C)C ZINC000341884905 316310857 /nfs/dbraw/zinc/31/08/57/316310857.db2.gz ILFJPMSITMIPFP-IDCNUPLLSA-N 1 3 319.493 2.616 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000414781701 316653242 /nfs/dbraw/zinc/65/32/42/316653242.db2.gz WEWQDUPFJBVBAB-CVEARBPZSA-N 1 3 310.388 2.952 20 0 DFADHO Cc1csc(N2CCC([NH2+][C@@H]3CCCC[C@H]3CN)CC2)n1 ZINC000414811897 316664857 /nfs/dbraw/zinc/66/48/57/316664857.db2.gz WWRYVRNKVJPXRL-DZGCQCFKSA-N 1 3 308.495 2.527 20 0 DFADHO COc1cc(Cl)ccc1[C@H](C)NCCOCC[NH+](C)C ZINC000421844747 316773612 /nfs/dbraw/zinc/77/36/12/316773612.db2.gz UNRFNHPHVGEKDZ-LBPRGKRZSA-N 1 3 300.830 2.577 20 0 DFADHO CCc1ccccc1[C@@H](N)CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423935828 316782652 /nfs/dbraw/zinc/78/26/52/316782652.db2.gz BLXRTXDKWSJMRU-UGSOOPFHSA-N 1 3 311.429 2.699 20 0 DFADHO C[NH+](C)CCCN[C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453067337 317158964 /nfs/dbraw/zinc/15/89/64/317158964.db2.gz ZEQWEHJZJDGMDF-DLBZAZTESA-N 1 3 310.869 2.971 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]CC(C)(C)CN1CCCC1)CO2 ZINC000453206073 317169625 /nfs/dbraw/zinc/16/96/25/317169625.db2.gz HNVHJTSHNKXAEZ-INIZCTEOSA-N 1 3 318.461 2.710 20 0 DFADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(-n2ccnn2)c1 ZINC000453351945 317178910 /nfs/dbraw/zinc/17/89/10/317178910.db2.gz MVONPOOWLHIBQV-HZTRTUMWSA-N 1 3 311.433 2.543 20 0 DFADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(-n2ccnn2)c1 ZINC000453351945 317178914 /nfs/dbraw/zinc/17/89/14/317178914.db2.gz MVONPOOWLHIBQV-HZTRTUMWSA-N 1 3 311.433 2.543 20 0 DFADHO CCC[NH+]1CCC(N2CCC(OCCOC(C)C)CC2)CC1 ZINC000453353482 317179661 /nfs/dbraw/zinc/17/96/61/317179661.db2.gz JFFJXJGZAKKYNW-UHFFFAOYSA-N 1 3 312.498 2.767 20 0 DFADHO COc1cc2c(c(CNCCCC[N@H+](C)C3CC3)c1)O[C@H](C)C2 ZINC000453591570 317191916 /nfs/dbraw/zinc/19/19/16/317191916.db2.gz CSBSUJPKYZVFRC-CQSZACIVSA-N 1 3 318.461 2.983 20 0 DFADHO COc1cc2c(c(CNCCCC[N@@H+](C)C3CC3)c1)O[C@H](C)C2 ZINC000453591570 317191918 /nfs/dbraw/zinc/19/19/18/317191918.db2.gz CSBSUJPKYZVFRC-CQSZACIVSA-N 1 3 318.461 2.983 20 0 DFADHO CC[NH+](CC)CC1CCN(Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459312929 317318361 /nfs/dbraw/zinc/31/83/61/317318361.db2.gz ZEFQDXFGTUHRNL-UHFFFAOYSA-N 1 3 318.465 2.613 20 0 DFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC(CC[NH3+])CC1 ZINC000571452554 317984398 /nfs/dbraw/zinc/98/43/98/317984398.db2.gz JDWIFOTXZFKOFX-SFHVURJKSA-N 1 3 317.477 2.657 20 0 DFADHO CC(C)C[C@H](CNC(=O)C1(N)CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000572758516 318002688 /nfs/dbraw/zinc/00/26/88/318002688.db2.gz NEBHXNMVRYXVRU-DOTOQJQBSA-N 1 3 317.477 2.750 20 0 DFADHO C[C@H](CNC(=O)c1ccccc1CN(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000572787440 318003900 /nfs/dbraw/zinc/00/39/00/318003900.db2.gz UHJRHLNEQCHJPS-HZPDHXFCSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@H](CNC(=O)c1ccccc1CN(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000572787440 318003903 /nfs/dbraw/zinc/00/39/03/318003903.db2.gz UHJRHLNEQCHJPS-HZPDHXFCSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1CN(C)C ZINC000572973746 318009703 /nfs/dbraw/zinc/00/97/03/318009703.db2.gz AMHFMXJUYUJJFA-OAHLLOKOSA-N 1 3 303.450 2.951 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1CN(C)C ZINC000572973746 318009706 /nfs/dbraw/zinc/00/97/06/318009706.db2.gz AMHFMXJUYUJJFA-OAHLLOKOSA-N 1 3 303.450 2.951 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C(C)(C)C)CC2)CC1 ZINC000573384694 318017370 /nfs/dbraw/zinc/01/73/70/318017370.db2.gz DHSVGYBWTDVVTN-OAHLLOKOSA-N 1 3 323.525 2.734 20 0 DFADHO CCc1noc(-c2ccc(CCN[C@H]3CCC[NH2+]CC3)cc2)n1 ZINC000574972517 318053996 /nfs/dbraw/zinc/05/39/96/318053996.db2.gz QZDPSXNZLJPMBD-INIZCTEOSA-N 1 3 314.433 2.573 20 0 DFADHO CCc1noc(-c2ccc(CC[NH2+][C@H]3CCCNCC3)cc2)n1 ZINC000574972517 318053999 /nfs/dbraw/zinc/05/39/99/318053999.db2.gz QZDPSXNZLJPMBD-INIZCTEOSA-N 1 3 314.433 2.573 20 0 DFADHO C[C@@H](O)C[N@H+](Cc1ccc2c(c1)CNCC2)C1CCCCC1 ZINC000576114164 318104579 /nfs/dbraw/zinc/10/45/79/318104579.db2.gz OJSCSOMOAGRLQX-OAHLLOKOSA-N 1 3 302.462 2.848 20 0 DFADHO C[C@@H](O)C[N@@H+](Cc1ccc2c(c1)CNCC2)C1CCCCC1 ZINC000576114164 318104581 /nfs/dbraw/zinc/10/45/81/318104581.db2.gz OJSCSOMOAGRLQX-OAHLLOKOSA-N 1 3 302.462 2.848 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCNc2cccc(Br)c2)C1 ZINC000576767687 318149181 /nfs/dbraw/zinc/14/91/81/318149181.db2.gz OYSGSIVWGXFZQP-TZMCWYRMSA-N 1 3 312.255 2.721 20 0 DFADHO COc1cc2c(c(CN3CCC(CC[NH3+])CC3)c1)O[C@@H](C)C2 ZINC000576948333 318161506 /nfs/dbraw/zinc/16/15/06/318161506.db2.gz UDLFBEKPHHZIAY-ZDUSSCGKSA-N 1 3 304.434 2.579 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@@H]2COc3cc(F)ccc3C2)[C@@H]2CCC[C@@H]21 ZINC000577530545 318200230 /nfs/dbraw/zinc/20/02/30/318200230.db2.gz KCGHGYAVLQRCMF-QAETUUGQSA-N 1 3 304.409 2.592 20 0 DFADHO C[N@H+]1CC[C@H](N[C@@H]2COc3cc(F)ccc3C2)[C@@H]2CCC[C@@H]21 ZINC000577530545 318200232 /nfs/dbraw/zinc/20/02/32/318200232.db2.gz KCGHGYAVLQRCMF-QAETUUGQSA-N 1 3 304.409 2.592 20 0 DFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c1 ZINC000578127170 318239374 /nfs/dbraw/zinc/23/93/74/318239374.db2.gz GGKYFOBNEQLAOF-FGTMMUONSA-N 1 3 320.477 2.506 20 0 DFADHO [NH3+]CCC1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000578537935 318268419 /nfs/dbraw/zinc/26/84/19/318268419.db2.gz LYWLBZPYZFXVOP-UHFFFAOYSA-N 1 3 312.417 2.830 20 0 DFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)[N@@H+]1CCCC[C@@H]1C ZINC000578728038 318280943 /nfs/dbraw/zinc/28/09/43/318280943.db2.gz WSTVETUAIOCIJS-UONOGXRCSA-N 1 3 316.449 2.674 20 0 DFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)[N@H+]1CCCC[C@@H]1C ZINC000578728038 318280947 /nfs/dbraw/zinc/28/09/47/318280947.db2.gz WSTVETUAIOCIJS-UONOGXRCSA-N 1 3 316.449 2.674 20 0 DFADHO C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)[C@@H]1CCCNC1 ZINC000579341982 318323433 /nfs/dbraw/zinc/32/34/33/318323433.db2.gz IKMRMUKRLQQZCG-DLBZAZTESA-N 1 3 302.462 2.713 20 0 DFADHO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(CN(C)C)cc1 ZINC000579392132 318327910 /nfs/dbraw/zinc/32/79/10/318327910.db2.gz XLAWLYKQEXSGJT-SFHVURJKSA-N 1 3 317.477 2.695 20 0 DFADHO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc(CN(C)C)cc1 ZINC000579392132 318327913 /nfs/dbraw/zinc/32/79/13/318327913.db2.gz XLAWLYKQEXSGJT-SFHVURJKSA-N 1 3 317.477 2.695 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000579733948 318351778 /nfs/dbraw/zinc/35/17/78/318351778.db2.gz PYWFGUXDHBISFV-HUUCEWRRSA-N 1 3 318.396 2.668 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000579733948 318351781 /nfs/dbraw/zinc/35/17/81/318351781.db2.gz PYWFGUXDHBISFV-HUUCEWRRSA-N 1 3 318.396 2.668 20 0 DFADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000580065184 318372666 /nfs/dbraw/zinc/37/26/66/318372666.db2.gz NLLFVHSUHULVHP-NVXWUHKLSA-N 1 3 310.869 2.565 20 0 DFADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000580065184 318372668 /nfs/dbraw/zinc/37/26/68/318372668.db2.gz NLLFVHSUHULVHP-NVXWUHKLSA-N 1 3 310.869 2.565 20 0 DFADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000580065184 318372669 /nfs/dbraw/zinc/37/26/69/318372669.db2.gz NLLFVHSUHULVHP-NVXWUHKLSA-N 1 3 310.869 2.565 20 0 DFADHO CN(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000386870333 323320823 /nfs/dbraw/zinc/32/08/23/323320823.db2.gz KSICQLZDDBXMDB-OTWHNJEPSA-N 1 3 301.478 2.629 20 0 DFADHO COc1cc(OC)c(OC)cc1CNC(C)(C)CCC[NH+](C)C ZINC000387324638 323323449 /nfs/dbraw/zinc/32/34/49/323323449.db2.gz NJXZGCFTANBMSC-UHFFFAOYSA-N 1 3 324.465 2.922 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCN(C)C1 ZINC000398200966 323356508 /nfs/dbraw/zinc/35/65/08/323356508.db2.gz PMVXEASPAIHDRF-MISYRCLQSA-N 1 3 315.505 2.828 20 0 DFADHO CN(C)Cc1ccc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000583992028 323945751 /nfs/dbraw/zinc/94/57/51/323945751.db2.gz KSARFHZCLFOZNI-IRXDYDNUSA-N 1 3 303.450 2.984 20 0 DFADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cncc(Br)c1 ZINC000584480655 337348856 /nfs/dbraw/zinc/34/88/56/337348856.db2.gz JIULAXFXIHCXPH-NSHDSACASA-N 1 3 310.239 2.757 20 0 DFADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cncc(Br)c1 ZINC000584480655 337348857 /nfs/dbraw/zinc/34/88/57/337348857.db2.gz JIULAXFXIHCXPH-NSHDSACASA-N 1 3 310.239 2.757 20 0 DFADHO C[C@H](NC1CC1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000294684921 533802687 /nfs/dbraw/zinc/80/26/87/533802687.db2.gz AFCWDNDCMGHODJ-AWEZNQCLSA-N 1 3 301.434 2.752 20 0 DFADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H](O)c1ccccc1 ZINC000297369859 533811803 /nfs/dbraw/zinc/81/18/03/533811803.db2.gz HNUYKUPLDHCYGL-HNAYVOBHSA-N 1 3 311.429 2.762 20 0 DFADHO C[C@H](CCO)C1(C[NH2+]C2CCN(c3ccncc3)CC2)CCC1 ZINC000297676591 533948946 /nfs/dbraw/zinc/94/89/46/533948946.db2.gz OXUUCPKURKQUMQ-MRXNPFEDSA-N 1 3 317.477 2.829 20 0 DFADHO CC(C)Oc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cn1 ZINC000367603352 519779832 /nfs/dbraw/zinc/77/98/32/519779832.db2.gz ZEYXIWGAJYRQAC-GVDBMIGSSA-N 1 3 303.450 2.831 20 0 DFADHO CC(C)Oc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cn1 ZINC000367603353 519779937 /nfs/dbraw/zinc/77/99/37/519779937.db2.gz ZEYXIWGAJYRQAC-ZACQAIPSSA-N 1 3 303.450 2.831 20 0 DFADHO Cc1ccc2nccc(NCCN3CCC([NH+](C)C)CC3)c2c1 ZINC000302147516 534522735 /nfs/dbraw/zinc/52/27/35/534522735.db2.gz IQPGFXGCLCDQIE-UHFFFAOYSA-N 1 3 312.461 2.981 20 0 DFADHO c1nc2ccccc2n1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000321472025 534536707 /nfs/dbraw/zinc/53/67/07/534536707.db2.gz WDHHLMLYEDJDKN-ZACQAIPSSA-N 1 3 312.461 2.937 20 0 DFADHO CC[C@@H](CSc1ccc(Cl)cc1)NC[C@@H](O)C[NH+](C)C ZINC000154372815 522616118 /nfs/dbraw/zinc/61/61/18/522616118.db2.gz WNHCRCQKCABGMI-UONOGXRCSA-N 1 3 316.898 2.723 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCCC3)nc2)[C@H]2CCC[C@H]21 ZINC000367614687 523989435 /nfs/dbraw/zinc/98/94/35/523989435.db2.gz IUQWOHRZBXVVSU-FGTMMUONSA-N 1 3 314.477 2.644 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc(N3CCCC3)nc2)[C@H]2CCC[C@H]21 ZINC000367614687 523989436 /nfs/dbraw/zinc/98/94/36/523989436.db2.gz IUQWOHRZBXVVSU-FGTMMUONSA-N 1 3 314.477 2.644 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@H]2CCC[C@H]21 ZINC000367614687 523989441 /nfs/dbraw/zinc/98/94/41/523989441.db2.gz IUQWOHRZBXVVSU-FGTMMUONSA-N 1 3 314.477 2.644 20 0 DFADHO CCc1ccc([C@H](C)[NH2+]CCCCN2CCN(CC)CC2)o1 ZINC000154549866 524045772 /nfs/dbraw/zinc/04/57/72/524045772.db2.gz YVKLBDRRPSZWTH-INIZCTEOSA-N 1 3 307.482 2.910 20 0 DFADHO CC(C)n1cc(C[NH2+]CC2CCN(c3ccncc3)CC2)cn1 ZINC000361108340 535061362 /nfs/dbraw/zinc/06/13/62/535061362.db2.gz XTBKKIALNFFIFS-UHFFFAOYSA-N 1 3 313.449 2.865 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)N2CCCCC2)C12CCOCC2 ZINC000249010353 535500919 /nfs/dbraw/zinc/50/09/19/535500919.db2.gz OOTRVGDMMUUDFR-OKZBNKHCSA-N 1 3 324.509 2.815 20 0 DFADHO CCO[C@@H]1C[C@H](NCC[C@H](C)[NH+]2CCCCC2)C12CCOCC2 ZINC000249010353 535500924 /nfs/dbraw/zinc/50/09/24/535500924.db2.gz OOTRVGDMMUUDFR-OKZBNKHCSA-N 1 3 324.509 2.815 20 0 DFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[C@H](C)CCN2)cc1 ZINC000261834832 535606190 /nfs/dbraw/zinc/60/61/90/535606190.db2.gz IHIYHHSULXZCGM-QAPCUYQASA-N 1 3 317.477 2.533 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000261898724 535652238 /nfs/dbraw/zinc/65/22/38/535652238.db2.gz OQHVQAKPBXOURO-ROUUACIJSA-N 1 3 317.477 2.718 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000155667447 535741345 /nfs/dbraw/zinc/74/13/45/535741345.db2.gz XTYVPEIAWKBUQU-ZIAGYGMSSA-N 1 3 311.420 2.641 20 0 DFADHO CC[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@H]1CCOC1 ZINC000361176100 535906729 /nfs/dbraw/zinc/90/67/29/535906729.db2.gz UEZVKZYWOPJMPA-HKUYNNGSSA-N 1 3 320.477 2.574 20 0 DFADHO CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245714882 536345275 /nfs/dbraw/zinc/34/52/75/536345275.db2.gz NVBLADOBARAGBM-OWZKRDHZSA-N 1 3 313.489 2.866 20 0 DFADHO COCCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000361762404 536676309 /nfs/dbraw/zinc/67/63/09/536676309.db2.gz CZPOYZLCVJGDPY-HLLBOEOZSA-N 1 3 306.450 2.845 20 0 DFADHO COCCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000361762404 536676313 /nfs/dbraw/zinc/67/63/13/536676313.db2.gz CZPOYZLCVJGDPY-HLLBOEOZSA-N 1 3 306.450 2.845 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+](C)CCc2ccccn2)cc1 ZINC000680477922 545500268 /nfs/dbraw/zinc/50/02/68/545500268.db2.gz GQIGTWQUQPCMGN-UHFFFAOYSA-N 1 3 313.445 2.697 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+](C)CCc2ccccn2)cc1 ZINC000680477922 545500269 /nfs/dbraw/zinc/50/02/69/545500269.db2.gz GQIGTWQUQPCMGN-UHFFFAOYSA-N 1 3 313.445 2.697 20 0 DFADHO Cc1ccc2nccc(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000680620470 545519637 /nfs/dbraw/zinc/51/96/37/545519637.db2.gz HQBBJGMWQYIYFN-OALUTQOASA-N 1 3 311.429 2.579 20 0 DFADHO CCCN1CCC([NH2+]Cc2ccc(Cn3cccn3)cc2)CC1 ZINC000683141222 545978671 /nfs/dbraw/zinc/97/86/71/545978671.db2.gz QQIXYAIYNOOPTH-UHFFFAOYSA-N 1 3 312.461 2.895 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000684112695 546153786 /nfs/dbraw/zinc/15/37/86/546153786.db2.gz XQIYPHKOZVVPLW-TWMKSMIVSA-N 1 3 302.466 2.663 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000684112695 546153791 /nfs/dbraw/zinc/15/37/91/546153791.db2.gz XQIYPHKOZVVPLW-TWMKSMIVSA-N 1 3 302.466 2.663 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000684112695 546153792 /nfs/dbraw/zinc/15/37/92/546153792.db2.gz XQIYPHKOZVVPLW-TWMKSMIVSA-N 1 3 302.466 2.663 20 0 DFADHO CO[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)C1 ZINC000684375710 546203941 /nfs/dbraw/zinc/20/39/41/546203941.db2.gz AEBVRJODSGRCAZ-IEBWSBKVSA-N 1 3 320.477 2.717 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@H]2CCOc3ccccc32)C1 ZINC000685471116 546358474 /nfs/dbraw/zinc/35/84/74/546358474.db2.gz NCIFZMROXMLMNM-JFIYKMOQSA-N 1 3 300.446 2.969 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2C[C@H]2CCOc3ccccc32)C1 ZINC000685471116 546358477 /nfs/dbraw/zinc/35/84/77/546358477.db2.gz NCIFZMROXMLMNM-JFIYKMOQSA-N 1 3 300.446 2.969 20 0 DFADHO C[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1CCCCCC1 ZINC000074590441 185000206 /nfs/dbraw/zinc/00/02/06/185000206.db2.gz OYQLBGVFTPSTNL-ZWKOTPCHSA-N 1 3 321.509 2.728 20 0 DFADHO CC[NH+]1CCC(CCNCc2c(OC)cccc2OC)CC1 ZINC000286534267 219041344 /nfs/dbraw/zinc/04/13/44/219041344.db2.gz NWARDWWQGIRTOX-UHFFFAOYSA-N 1 3 306.450 2.915 20 0 DFADHO C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N(C)C ZINC000278624037 214282423 /nfs/dbraw/zinc/28/24/23/214282423.db2.gz GLBOTTQYLKHEDJ-KANFNMMFSA-N 1 3 301.478 2.722 20 0 DFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000066124832 398358216 /nfs/dbraw/zinc/35/82/16/398358216.db2.gz NOSBEWQGSRXLIS-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000066124832 398358219 /nfs/dbraw/zinc/35/82/19/398358219.db2.gz NOSBEWQGSRXLIS-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO CC(C)[C@H](C[NH2+]C1CCN(C2CC2)CC1)N1CCC(C)CC1 ZINC000459375345 299090942 /nfs/dbraw/zinc/09/09/42/299090942.db2.gz ZCXUIHGJUORVEP-IBGZPJMESA-N 1 3 307.526 2.959 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNCc2cnc(C3CC3)nc2)C1 ZINC000459378852 299091479 /nfs/dbraw/zinc/09/14/79/299091479.db2.gz ROKGKQAJAZYRAR-HNNXBMFYSA-N 1 3 302.466 2.956 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNCc2cnc(C3CC3)nc2)C1 ZINC000459378852 299091483 /nfs/dbraw/zinc/09/14/83/299091483.db2.gz ROKGKQAJAZYRAR-HNNXBMFYSA-N 1 3 302.466 2.956 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C(C)(C)C)CC2)[C@H]1SC ZINC000459387065 299093167 /nfs/dbraw/zinc/09/31/67/299093167.db2.gz JBUGVZNRPGKEQZ-RRFJBIMHSA-N 1 3 300.512 2.748 20 0 DFADHO CCO[C@@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)[C@H]1SC ZINC000459387065 299093170 /nfs/dbraw/zinc/09/31/70/299093170.db2.gz JBUGVZNRPGKEQZ-RRFJBIMHSA-N 1 3 300.512 2.748 20 0 DFADHO C[C@@H]1CCC[C@H](C[NH2+]C2CCN(C3CCN(C)CC3)CC2)C1 ZINC000092564479 185326290 /nfs/dbraw/zinc/32/62/90/185326290.db2.gz VYUAFTVUVMYTEV-SJORKVTESA-N 1 3 307.526 2.961 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2sc(CCOC)nc2C)C1 ZINC000092739766 185337889 /nfs/dbraw/zinc/33/78/89/185337889.db2.gz RQYJVYBRSQEGGZ-GXTWGEPZSA-N 1 3 311.495 2.633 20 0 DFADHO CCOC(=O)CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092820953 185343982 /nfs/dbraw/zinc/34/39/82/185343982.db2.gz MFGINHDZFPQMOV-UHFFFAOYSA-N 1 3 319.449 2.573 20 0 DFADHO CCOC(=O)CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092820953 185343983 /nfs/dbraw/zinc/34/39/83/185343983.db2.gz MFGINHDZFPQMOV-UHFFFAOYSA-N 1 3 319.449 2.573 20 0 DFADHO C[C@@H]1C[C@H](N(C)CCC(=O)OCc2ccccc2)CC[N@@H+]1C ZINC000181470280 199302215 /nfs/dbraw/zinc/30/22/15/199302215.db2.gz SBHKUKJOQGFYPG-NVXWUHKLSA-N 1 3 304.434 2.534 20 0 DFADHO C[C@@H]1C[C@H](N(C)CCC(=O)OCc2ccccc2)CC[N@H+]1C ZINC000181470280 199302217 /nfs/dbraw/zinc/30/22/17/199302217.db2.gz SBHKUKJOQGFYPG-NVXWUHKLSA-N 1 3 304.434 2.534 20 0 DFADHO CCc1ccc2[nH+]ccc(NC[C@H](C)N3CCN(C)CC3)c2c1 ZINC000295629324 529731957 /nfs/dbraw/zinc/73/19/57/529731957.db2.gz XHPNWZIUIQIQGK-HNNXBMFYSA-N 1 3 312.461 2.845 20 0 DFADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459407940 299099442 /nfs/dbraw/zinc/09/94/42/299099442.db2.gz WFQFWIBEPQHOJN-CQSZACIVSA-N 1 3 319.449 2.760 20 0 DFADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000292821708 529802392 /nfs/dbraw/zinc/80/23/92/529802392.db2.gz QBEKSSVIFHHANL-QGZVFWFLSA-N 1 3 310.388 2.858 20 0 DFADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000292821708 529802394 /nfs/dbraw/zinc/80/23/94/529802394.db2.gz QBEKSSVIFHHANL-QGZVFWFLSA-N 1 3 310.388 2.858 20 0 DFADHO C[C@H]1CCC[C@H](C)N1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459435464 299106266 /nfs/dbraw/zinc/10/62/66/299106266.db2.gz VRNYNQDITHKOIP-IRXDYDNUSA-N 1 3 316.493 2.903 20 0 DFADHO Cc1ccn(-c2ccccc2CNC2CC[NH+](C3CC3)CC2)n1 ZINC000459436225 299105964 /nfs/dbraw/zinc/10/59/64/299105964.db2.gz FPZCIZKFQCQTPW-UHFFFAOYSA-N 1 3 310.445 2.897 20 0 DFADHO CC1(C)[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]2CCCO[C@H]21 ZINC000459435280 299106551 /nfs/dbraw/zinc/10/65/51/299106551.db2.gz XJTJGMFJPKJQMI-KZNAEPCWSA-N 1 3 315.461 2.844 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](CC(C)C)C2)[C@H]1SC ZINC000459453752 299110674 /nfs/dbraw/zinc/11/06/74/299110674.db2.gz SZUNEJAOPDICQT-MWDXBVQZSA-N 1 3 314.539 2.853 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@H]1SC ZINC000459453752 299110677 /nfs/dbraw/zinc/11/06/77/299110677.db2.gz SZUNEJAOPDICQT-MWDXBVQZSA-N 1 3 314.539 2.853 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(CC(C)C)C2)[C@H]1SC ZINC000459453752 299110680 /nfs/dbraw/zinc/11/06/80/299110680.db2.gz SZUNEJAOPDICQT-MWDXBVQZSA-N 1 3 314.539 2.853 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000294708895 530050966 /nfs/dbraw/zinc/05/09/66/530050966.db2.gz JKHXWXPOIGXBJF-KRWDZBQOSA-N 1 3 322.880 2.707 20 0 DFADHO C[C@H]([NH2+]C[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1cnn(C)c1 ZINC000090708594 398492105 /nfs/dbraw/zinc/49/21/05/398492105.db2.gz RTISBOQCHCKHSX-SOLBZPMBSA-N 1 3 312.461 2.981 20 0 DFADHO C[C@@H]([NH2+]C1CCC(O)CC1)c1ccc(OCCN(C)C)cc1 ZINC000090800259 398492635 /nfs/dbraw/zinc/49/26/35/398492635.db2.gz HCSHMDQYWWBFFJ-ODIFPOPNSA-N 1 3 306.450 2.581 20 0 DFADHO COc1cccc(COCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000090806935 398492849 /nfs/dbraw/zinc/49/28/49/398492849.db2.gz GYKHDYOKWPZLTJ-IIDMSEBBSA-N 1 3 306.450 2.530 20 0 DFADHO COc1cccc(COCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090806935 398492852 /nfs/dbraw/zinc/49/28/52/398492852.db2.gz GYKHDYOKWPZLTJ-IIDMSEBBSA-N 1 3 306.450 2.530 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1cccc(-c2cnn(C)c2)c1 ZINC000090920330 398496576 /nfs/dbraw/zinc/49/65/76/398496576.db2.gz YPFZWLHXZBSCED-SPYBWZPUSA-N 1 3 312.461 2.905 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cccc(-c2cnn(C)c2)c1 ZINC000090920330 398496579 /nfs/dbraw/zinc/49/65/79/398496579.db2.gz YPFZWLHXZBSCED-SPYBWZPUSA-N 1 3 312.461 2.905 20 0 DFADHO C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000272691511 210097567 /nfs/dbraw/zinc/09/75/67/210097567.db2.gz POABDWRNGIPBCB-VBSBHUPXSA-N 1 3 316.489 2.895 20 0 DFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000588773418 398506974 /nfs/dbraw/zinc/50/69/74/398506974.db2.gz MWWJPROXHHGVKX-QGZVFWFLSA-N 1 3 318.465 2.743 20 0 DFADHO CCO[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459556651 299133035 /nfs/dbraw/zinc/13/30/35/299133035.db2.gz BAZOTBYBMCGCIQ-QZTJIDSGSA-N 1 3 303.450 2.988 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@@H]1C[C@H]1C ZINC000414065832 295762895 /nfs/dbraw/zinc/76/28/95/295762895.db2.gz GMIIHMGEIKJIEN-QRQLOZEOSA-N 1 3 316.493 2.618 20 0 DFADHO CC[NH+](CC)CCCN1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000279720665 215091041 /nfs/dbraw/zinc/09/10/41/215091041.db2.gz LQQRUTXNWYEETE-IBGZPJMESA-N 1 3 318.509 2.567 20 0 DFADHO Cc1ccc(CNCC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000414295675 295785248 /nfs/dbraw/zinc/78/52/48/295785248.db2.gz DLNYCNMCXYCNBC-UHFFFAOYSA-N 1 3 310.445 2.787 20 0 DFADHO CCn1ccnc1NCc1ccccc1N1CC[NH+](CC)CC1 ZINC000414303476 295785992 /nfs/dbraw/zinc/78/59/92/295785992.db2.gz PLAJZHOIRKULRJ-UHFFFAOYSA-N 1 3 313.449 2.657 20 0 DFADHO Cc1cc(CNC2CCC([NH+]3CCC(C)CC3)CC2)nn1C ZINC000414370019 295793866 /nfs/dbraw/zinc/79/38/66/295793866.db2.gz VWSJOTZBPXLVDL-UHFFFAOYSA-N 1 3 304.482 2.861 20 0 DFADHO C[C@@H](Cc1ccccc1)CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000182028532 199376193 /nfs/dbraw/zinc/37/61/93/199376193.db2.gz BFJIZMDMYYMROY-IBGZPJMESA-N 1 3 315.505 2.579 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(OCCN(C)C)cc1 ZINC000152589278 186088247 /nfs/dbraw/zinc/08/82/47/186088247.db2.gz XWFGZLNIMCENOI-OAHLLOKOSA-N 1 3 307.482 2.618 20 0 DFADHO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000163936923 186142554 /nfs/dbraw/zinc/14/25/54/186142554.db2.gz DKPBXZSLYSOBQP-RLFYNMQTSA-N 1 3 308.466 2.685 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2cn3cc(Cl)ccc3n2)C1 ZINC000459722803 299172634 /nfs/dbraw/zinc/17/26/34/299172634.db2.gz BZXGBAUXYRTTGO-ZDUSSCGKSA-N 1 3 306.841 2.809 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2cn3cc(Cl)ccc3n2)C1 ZINC000459722803 299172637 /nfs/dbraw/zinc/17/26/37/299172637.db2.gz BZXGBAUXYRTTGO-ZDUSSCGKSA-N 1 3 306.841 2.809 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(N3CCCC3)nc2)C1 ZINC000459731973 299175687 /nfs/dbraw/zinc/17/56/87/299175687.db2.gz LPGHZJAVELFHSM-MRXNPFEDSA-N 1 3 302.466 2.503 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2ccc(N3CCCC3)nc2)C1 ZINC000459731973 299175690 /nfs/dbraw/zinc/17/56/90/299175690.db2.gz LPGHZJAVELFHSM-MRXNPFEDSA-N 1 3 302.466 2.503 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(-n2ccnc2)c(F)c1 ZINC000414804237 295821011 /nfs/dbraw/zinc/82/10/11/295821011.db2.gz OKZCLFURZAXTBG-ZBFHGGJFSA-N 1 3 302.397 2.619 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@@H]2CCCNC2)cc1O ZINC000414819127 295821565 /nfs/dbraw/zinc/82/15/65/295821565.db2.gz GSNUXLGHHAAOLP-SQWLQELKSA-N 1 3 306.450 2.700 20 0 DFADHO COc1ccc(C[C@@H](C)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000414827430 295822972 /nfs/dbraw/zinc/82/29/72/295822972.db2.gz KSOZRLAHCKHRFH-SLHHOWHOSA-N 1 3 306.425 2.886 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000414842619 295825190 /nfs/dbraw/zinc/82/51/90/295825190.db2.gz PFMQSNAMIWMEON-YPMHNXCESA-N 1 3 311.857 2.811 20 0 DFADHO c1sc(-c2ccccn2)nc1CNCC[C@@H]1CCC[NH2+]C1 ZINC000414854004 295826337 /nfs/dbraw/zinc/82/63/37/295826337.db2.gz SULGRPOHMYMCAM-ZDUSSCGKSA-N 1 3 302.447 2.684 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414857138 295827000 /nfs/dbraw/zinc/82/70/00/295827000.db2.gz OYFITJZTHZDWGO-RDBSUJKOSA-N 1 3 307.413 2.521 20 0 DFADHO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000593610974 398661677 /nfs/dbraw/zinc/66/16/77/398661677.db2.gz GLUGBXPPUVAFLJ-OAHLLOKOSA-N 1 3 310.482 2.986 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(OCC(F)(F)F)cc2)C1 ZINC000414925807 295836129 /nfs/dbraw/zinc/83/61/29/295836129.db2.gz MICHQUJYEBAMEH-QWHCGFSZSA-N 1 3 302.340 2.987 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000390308252 398671743 /nfs/dbraw/zinc/67/17/43/398671743.db2.gz FJBHKAOJAINTPM-DAWZGUTISA-N 1 3 317.477 2.703 20 0 DFADHO Oc1ccc(Br)c(CNCCC[C@@H]2CCC[NH2+]2)c1 ZINC000414960293 295841244 /nfs/dbraw/zinc/84/12/44/295841244.db2.gz AMPPVKZKSSZOQH-GFCCVEGCSA-N 1 3 313.239 2.777 20 0 DFADHO CCOC[C@H](C)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681698348 545701256 /nfs/dbraw/zinc/70/12/56/545701256.db2.gz WSTQELFNZUVJKH-INIZCTEOSA-N 1 3 306.450 2.676 20 0 DFADHO C[C@@H]1CCc2nc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)sc2C1 ZINC000415007086 295846791 /nfs/dbraw/zinc/84/67/91/295846791.db2.gz LDYNEHDLPJZXHH-OSAQELSMSA-N 1 3 305.491 2.746 20 0 DFADHO CCCN1CCC([NH2+]CCCN(C)Cc2ccccc2)CC1 ZINC000102548584 398678738 /nfs/dbraw/zinc/67/87/38/398678738.db2.gz PVXJJTBPFFQXPM-UHFFFAOYSA-N 1 3 303.494 2.973 20 0 DFADHO [NH3+]C[C@@H]1CC[C@@H](NCc2c(F)ccc(Br)c2F)C1 ZINC000415038886 295849838 /nfs/dbraw/zinc/84/98/38/295849838.db2.gz NUDXPQLTXHBWRE-RKDXNWHRSA-N 1 3 319.193 2.944 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000173363504 198207147 /nfs/dbraw/zinc/20/71/47/198207147.db2.gz VQMRQKXIVSOGQE-VQIMIIECSA-N 1 3 312.461 2.751 20 0 DFADHO CO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C12CCC2 ZINC000459794940 299194999 /nfs/dbraw/zinc/19/49/99/299194999.db2.gz VBTOSAVNYWQTJG-IAGOWNOFSA-N 1 3 301.434 2.598 20 0 DFADHO FC(F)(F)Oc1ccccc1CCNC[C@@H]1CCC[NH2+]C1 ZINC000415079997 295855687 /nfs/dbraw/zinc/85/56/87/295855687.db2.gz IOWUTGAAXNWNRI-GFCCVEGCSA-N 1 3 302.340 2.717 20 0 DFADHO COc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173960209 198272993 /nfs/dbraw/zinc/27/29/93/198272993.db2.gz DRJVFIZJQOOSTE-UHFFFAOYSA-N 1 3 318.461 2.772 20 0 DFADHO CN1CCC[N@H+](CCCNCc2ccc(Cl)c(F)c2)CC1 ZINC000105476429 398693775 /nfs/dbraw/zinc/69/37/75/398693775.db2.gz IVMWEBYWNCPOGW-UHFFFAOYSA-N 1 3 313.848 2.596 20 0 DFADHO CN1CCC[N@@H+](CCCNCc2ccc(Cl)c(F)c2)CC1 ZINC000105476429 398693780 /nfs/dbraw/zinc/69/37/80/398693780.db2.gz IVMWEBYWNCPOGW-UHFFFAOYSA-N 1 3 313.848 2.596 20 0 DFADHO Fc1ccc(CN2CCC([NH2+][C@H]3CCCNCC3)CC2)cc1F ZINC000415103524 295858452 /nfs/dbraw/zinc/85/84/52/295858452.db2.gz KMNJMIJQCZQMJB-HNNXBMFYSA-N 1 3 323.431 2.661 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000174771398 198382285 /nfs/dbraw/zinc/38/22/85/198382285.db2.gz HUIDGLBZSZIEHC-RHSMWYFYSA-N 1 3 304.434 2.635 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000174771398 198382286 /nfs/dbraw/zinc/38/22/86/198382286.db2.gz HUIDGLBZSZIEHC-RHSMWYFYSA-N 1 3 304.434 2.635 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000073949164 398711991 /nfs/dbraw/zinc/71/19/91/398711991.db2.gz GOFTUMCIJPOCHD-CRAIPNDOSA-N 1 3 317.477 2.551 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000073949164 398711994 /nfs/dbraw/zinc/71/19/94/398711994.db2.gz GOFTUMCIJPOCHD-CRAIPNDOSA-N 1 3 317.477 2.551 20 0 DFADHO CCC[NH+]1CCC(N(C)C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000236774795 202002533 /nfs/dbraw/zinc/00/25/33/202002533.db2.gz JZVLRGCIBLVUTB-QAPCUYQASA-N 1 3 317.477 2.655 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129277112 283009062 /nfs/dbraw/zinc/00/90/62/283009062.db2.gz HLSUTNSRUDRCHA-HUUCEWRRSA-N 1 3 321.431 2.725 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccccc1CCN(C)C ZINC000415569863 295891512 /nfs/dbraw/zinc/89/15/12/295891512.db2.gz LLHQKVSWAVNDSO-PBHICJAKSA-N 1 3 318.465 2.524 20 0 DFADHO C[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)N1CCCCCC1 ZINC000074220605 398731879 /nfs/dbraw/zinc/73/18/79/398731879.db2.gz QEJAFBSQOIMSEF-SFHVURJKSA-N 1 3 323.525 2.879 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C(CC)(CC)C[NH3+])c1ccccc1 ZINC000236818032 202024253 /nfs/dbraw/zinc/02/42/53/202024253.db2.gz KNZUQRVSLBRJOO-KRWDZBQOSA-N 1 3 319.493 2.951 20 0 DFADHO COc1cccc(OCCN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000132364586 283116089 /nfs/dbraw/zinc/11/60/89/283116089.db2.gz YASINEKLMIMXFS-UHFFFAOYSA-N 1 3 318.461 2.882 20 0 DFADHO CCN1CCC(NC(=O)C[N@H+](CC(C)C)CC(C)(C)C)CC1 ZINC000134448359 283186962 /nfs/dbraw/zinc/18/69/62/283186962.db2.gz UGDPOVPUNWVGIQ-UHFFFAOYSA-N 1 3 311.514 2.591 20 0 DFADHO CCN1CCC(NC(=O)C[N@@H+](CC(C)C)CC(C)(C)C)CC1 ZINC000134448359 283186967 /nfs/dbraw/zinc/18/69/67/283186967.db2.gz UGDPOVPUNWVGIQ-UHFFFAOYSA-N 1 3 311.514 2.591 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000236914718 202069399 /nfs/dbraw/zinc/06/93/99/202069399.db2.gz UCWPVIZREFLWJN-WMLDXEAASA-N 1 3 303.450 2.637 20 0 DFADHO CCN1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000236917613 202069700 /nfs/dbraw/zinc/06/97/00/202069700.db2.gz SIYONFXMFHDMBB-UHFFFAOYSA-N 1 3 315.505 2.767 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236917707 202071255 /nfs/dbraw/zinc/07/12/55/202071255.db2.gz WIUQGLOXSRNGRW-LAQRGFTBSA-N 1 3 317.477 2.529 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236917707 202071257 /nfs/dbraw/zinc/07/12/57/202071257.db2.gz WIUQGLOXSRNGRW-LAQRGFTBSA-N 1 3 317.477 2.529 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000237007323 202118083 /nfs/dbraw/zinc/11/80/83/202118083.db2.gz FJQIGXUFUHENTL-RHSMWYFYSA-N 1 3 321.465 2.719 20 0 DFADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000237037710 202130271 /nfs/dbraw/zinc/13/02/71/202130271.db2.gz SKDHOPPFXJTJKW-JQHSSLGASA-N 1 3 317.477 2.622 20 0 DFADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000237045322 202134524 /nfs/dbraw/zinc/13/45/24/202134524.db2.gz KGINKHUPNQRKQA-JQHSSLGASA-N 1 3 317.477 2.531 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000126082699 283208200 /nfs/dbraw/zinc/20/82/00/283208200.db2.gz YZJAWRLVFUQBHU-DLBZAZTESA-N 1 3 311.514 2.687 20 0 DFADHO C/C(=C\c1ccccc1)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000237158333 202169618 /nfs/dbraw/zinc/16/96/18/202169618.db2.gz ZNUPVBBTIQNZCP-BMRADRMJSA-N 1 3 301.478 2.706 20 0 DFADHO CN(C)Cc1ccc(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000276873860 213146855 /nfs/dbraw/zinc/14/68/55/213146855.db2.gz OESKBAMYILNDTL-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000594494470 398809046 /nfs/dbraw/zinc/80/90/46/398809046.db2.gz GOAUKYYGCARXBA-RDTXWAMCSA-N 1 3 316.445 2.782 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000594494470 398809048 /nfs/dbraw/zinc/80/90/48/398809048.db2.gz GOAUKYYGCARXBA-RDTXWAMCSA-N 1 3 316.445 2.782 20 0 DFADHO C[C@H](NCCOCC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000276681742 213043541 /nfs/dbraw/zinc/04/35/41/213043541.db2.gz QRHUFKAQTXDYKR-ZDUSSCGKSA-N 1 3 316.392 2.559 20 0 DFADHO C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[C@@H](N)c1ccccc1 ZINC000237395967 202253112 /nfs/dbraw/zinc/25/31/12/202253112.db2.gz XKMGCYIECDJXHE-RYQLBKOJSA-N 1 3 317.477 2.655 20 0 DFADHO C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[C@@H](N)c1ccccc1 ZINC000237395967 202253116 /nfs/dbraw/zinc/25/31/16/202253116.db2.gz XKMGCYIECDJXHE-RYQLBKOJSA-N 1 3 317.477 2.655 20 0 DFADHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180945269 199232333 /nfs/dbraw/zinc/23/23/33/199232333.db2.gz KHAPVDDTXKETCK-HNNXBMFYSA-N 1 3 307.457 2.845 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000274327794 299283887 /nfs/dbraw/zinc/28/38/87/299283887.db2.gz YZOFYWODVWKXEZ-HNNXBMFYSA-N 1 3 320.477 2.971 20 0 DFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cncc(F)c1 ZINC000178039392 299290126 /nfs/dbraw/zinc/29/01/26/299290126.db2.gz UOVULTHNAVFXGU-KFWWJZLASA-N 1 3 309.429 2.761 20 0 DFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCSCC1 ZINC000187101138 299289793 /nfs/dbraw/zinc/28/97/93/299289793.db2.gz FYKVXWGFWMCCDS-OAGGEKHMSA-N 1 3 314.539 2.997 20 0 DFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCSCC1 ZINC000187101102 299290315 /nfs/dbraw/zinc/29/03/15/299290315.db2.gz FYKVXWGFWMCCDS-XHSDSOJGSA-N 1 3 314.539 2.997 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000187268934 200085604 /nfs/dbraw/zinc/08/56/04/200085604.db2.gz YJTHXAXCOWRMDH-QAPCUYQASA-N 1 3 318.461 2.678 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000187268934 200085605 /nfs/dbraw/zinc/08/56/05/200085605.db2.gz YJTHXAXCOWRMDH-QAPCUYQASA-N 1 3 318.461 2.678 20 0 DFADHO C[C@H](C(=O)NCC[NH2+]C1CCCCCC1)[C@@H](N)c1ccccc1 ZINC000237436279 202265970 /nfs/dbraw/zinc/26/59/70/202265970.db2.gz YWOSDECRYGDDSU-MAUKXSAKSA-N 1 3 317.477 2.751 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000187552810 200127531 /nfs/dbraw/zinc/12/75/31/200127531.db2.gz IQYULDMCXKJKEQ-UHFFFAOYSA-N 1 3 318.465 2.696 20 0 DFADHO C[NH+]1CCC(CCNCc2ccc(Br)o2)CC1 ZINC000187572766 200129436 /nfs/dbraw/zinc/12/94/36/200129436.db2.gz QWNNWFIBPKZWME-UHFFFAOYSA-N 1 3 301.228 2.864 20 0 DFADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@@H]1CCOC1 ZINC000471872719 299311665 /nfs/dbraw/zinc/31/16/65/299311665.db2.gz RALMXKHWTURQFE-GBESFXJTSA-N 1 3 302.462 2.695 20 0 DFADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@@H]1CCOC1 ZINC000471872719 299311670 /nfs/dbraw/zinc/31/16/70/299311670.db2.gz RALMXKHWTURQFE-GBESFXJTSA-N 1 3 302.462 2.695 20 0 DFADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000192100613 296021749 /nfs/dbraw/zinc/02/17/49/296021749.db2.gz DIRNCPWXEYFZOT-NUJGCVRESA-N 1 3 317.477 2.559 20 0 DFADHO C[C@@H](CCC[NH3+])NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417621238 296036123 /nfs/dbraw/zinc/03/61/23/296036123.db2.gz HBKKEPQTQSIEAF-GJZGRUSLSA-N 1 3 320.481 2.542 20 0 DFADHO CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000056524629 398977776 /nfs/dbraw/zinc/97/77/76/398977776.db2.gz XDUDSNGNMCMXMS-AEFFLSMTSA-N 1 3 323.525 2.830 20 0 DFADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000056524631 398978143 /nfs/dbraw/zinc/97/81/43/398978143.db2.gz XDUDSNGNMCMXMS-FUHWJXTLSA-N 1 3 323.525 2.830 20 0 DFADHO Cc1nn2c(CNCCCCC[NH+]3CCCC3)c(C)nc2s1 ZINC000292889356 223294354 /nfs/dbraw/zinc/29/43/54/223294354.db2.gz CVAWULBAMLTVAH-UHFFFAOYSA-N 1 3 321.494 2.763 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2=CCN(C)CC2)c(C)c1 ZINC000271842312 209260156 /nfs/dbraw/zinc/26/01/56/209260156.db2.gz GXKCYGIVTOLKJN-MRXNPFEDSA-N 1 3 315.461 2.872 20 0 DFADHO CC(C)(C(=O)NCC1([NH3+])CCCCCC1)[C@H](N)c1ccccc1 ZINC000417815103 296054066 /nfs/dbraw/zinc/05/40/66/296054066.db2.gz RCNLHNKVJAKIFY-MRXNPFEDSA-N 1 3 317.477 2.881 20 0 DFADHO CC[C@H](C)C[N@H+](CC)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475034592 299341548 /nfs/dbraw/zinc/34/15/48/299341548.db2.gz ODXSEUODIXIIJR-FUHWJXTLSA-N 1 3 319.493 2.774 20 0 DFADHO CC[C@H](C)C[N@@H+](CC)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475034592 299341550 /nfs/dbraw/zinc/34/15/50/299341550.db2.gz ODXSEUODIXIIJR-FUHWJXTLSA-N 1 3 319.493 2.774 20 0 DFADHO CCn1cncc1C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000417884376 296060780 /nfs/dbraw/zinc/06/07/80/296060780.db2.gz GABTVZITRNOVCX-UHFFFAOYSA-N 1 3 318.490 2.966 20 0 DFADHO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000475154700 299344701 /nfs/dbraw/zinc/34/47/01/299344701.db2.gz FEIGDCRUICGJPD-QZTJIDSGSA-N 1 3 321.509 2.534 20 0 DFADHO CCn1cc(C[N@@H+]2CC[C@H](n3c(C)nc4c3CCCC4)C2)cn1 ZINC000275386384 212302395 /nfs/dbraw/zinc/30/23/95/212302395.db2.gz AGOLMRSBWWOHBT-INIZCTEOSA-N 1 3 313.449 2.734 20 0 DFADHO CCn1cc(C[N@H+]2CC[C@H](n3c(C)nc4c3CCCC4)C2)cn1 ZINC000275386384 212302398 /nfs/dbraw/zinc/30/23/98/212302398.db2.gz AGOLMRSBWWOHBT-INIZCTEOSA-N 1 3 313.449 2.734 20 0 DFADHO C[C@](O)(CN1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000171138588 291340797 /nfs/dbraw/zinc/34/07/97/291340797.db2.gz MEJWTNXQHBTPEL-IBGZPJMESA-N 1 3 302.462 2.702 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@H]1C ZINC000373391404 283856749 /nfs/dbraw/zinc/85/67/49/283856749.db2.gz VSJMTVFLLOTACO-MPGHIAIKSA-N 1 3 322.493 2.961 20 0 DFADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418359734 296088318 /nfs/dbraw/zinc/08/83/18/296088318.db2.gz SHBMJFPKMLNVCQ-DLBZAZTESA-N 1 3 320.481 2.627 20 0 DFADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000290679898 296101546 /nfs/dbraw/zinc/10/15/46/296101546.db2.gz HRXFRWYECGELJL-CIRFHOKZSA-N 1 3 317.477 2.524 20 0 DFADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000290679898 296101547 /nfs/dbraw/zinc/10/15/47/296101547.db2.gz HRXFRWYECGELJL-CIRFHOKZSA-N 1 3 317.477 2.524 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@H]1CCN(C)C[C@H]1C)Cc1ccccc1 ZINC000480826546 299390014 /nfs/dbraw/zinc/39/00/14/299390014.db2.gz KOPGFZBUEQWKOH-HOJAQTOUSA-N 1 3 317.521 2.869 20 0 DFADHO C[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)[C@H](N)c1ccccc1 ZINC000261648434 203087667 /nfs/dbraw/zinc/08/76/67/203087667.db2.gz FBTFPIIGFFUSEY-RDJZCZTQSA-N 1 3 317.477 2.703 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)Cc2cccc(Cl)c2)CC1 ZINC000338420761 284110834 /nfs/dbraw/zinc/11/08/34/284110834.db2.gz BAECLWFOYJWYMU-MRXNPFEDSA-N 1 3 323.912 2.888 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000261815032 203122916 /nfs/dbraw/zinc/12/29/16/203122916.db2.gz SBRBUTMBZYXGBE-ZNMIVQPWSA-N 1 3 321.490 2.519 20 0 DFADHO CCC[C@](C)(N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000262095439 203197467 /nfs/dbraw/zinc/19/74/67/203197467.db2.gz BNVRURBJTHKWQY-QAPCUYQASA-N 1 3 305.466 2.531 20 0 DFADHO CCC[C@](C)(N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000262095439 203197469 /nfs/dbraw/zinc/19/74/69/203197469.db2.gz BNVRURBJTHKWQY-QAPCUYQASA-N 1 3 305.466 2.531 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNCCC2CC[NH+](C)CC2)c1 ZINC000482243321 299401963 /nfs/dbraw/zinc/40/19/63/299401963.db2.gz GRDPKLGTQKSKIL-UHFFFAOYSA-N 1 3 324.852 2.948 20 0 DFADHO CCc1nocc1CNCCc1ccc(OCC[NH+](C)C)cc1 ZINC000339232105 284139302 /nfs/dbraw/zinc/13/93/02/284139302.db2.gz OGYYUPHILCIQPN-UHFFFAOYSA-N 1 3 317.433 2.510 20 0 DFADHO CN1CC[C@H]([NH2+]CCN2CCCCC2)C[C@H]1c1ccccc1 ZINC000340174239 284155145 /nfs/dbraw/zinc/15/51/45/284155145.db2.gz NNKZLGCYNPMEAA-OALUTQOASA-N 1 3 301.478 2.897 20 0 DFADHO C[N@@H+]1CC[C@H](NCCN2CCCCC2)C[C@H]1c1ccccc1 ZINC000340174239 284155149 /nfs/dbraw/zinc/15/51/49/284155149.db2.gz NNKZLGCYNPMEAA-OALUTQOASA-N 1 3 301.478 2.897 20 0 DFADHO C[N@H+]1CC[C@H](NCCN2CCCCC2)C[C@H]1c1ccccc1 ZINC000340174239 284155152 /nfs/dbraw/zinc/15/51/52/284155152.db2.gz NNKZLGCYNPMEAA-OALUTQOASA-N 1 3 301.478 2.897 20 0 DFADHO CC1CCN(C(=[NH2+])NCCCN(C)Cc2ccccc2)CC1 ZINC000060344339 399123507 /nfs/dbraw/zinc/12/35/07/399123507.db2.gz QPHPIANUBVRIPO-UHFFFAOYSA-N 1 3 302.466 2.765 20 0 DFADHO CCN(C(=O)[C@@H](C)N1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358506404 284196090 /nfs/dbraw/zinc/19/60/90/284196090.db2.gz JYFLCXGVBXVYRK-MRXNPFEDSA-N 1 3 315.461 2.504 20 0 DFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000274914485 212030297 /nfs/dbraw/zinc/03/02/97/212030297.db2.gz NYTRVFCUDYDCRU-CABCVRRESA-N 1 3 324.900 2.659 20 0 DFADHO CCOc1cc2nccc(N3CC[C@H]([NH2+]C)C3)c2cc1OCC ZINC000420171757 296160343 /nfs/dbraw/zinc/16/03/43/296160343.db2.gz SISUJIJKDUAQDO-ZDUSSCGKSA-N 1 3 315.417 2.830 20 0 DFADHO Cc1cc(N2CC[NH2+]C[C@H]2C)c2cc(OC(F)F)ccc2n1 ZINC000420180097 296160585 /nfs/dbraw/zinc/16/05/85/296160585.db2.gz WNTKTFLANQQNKT-LLVKDONJSA-N 1 3 307.344 2.943 20 0 DFADHO Cc1cc(NCC2([NH3+])CCC2)c2cc(OC(F)F)ccc2n1 ZINC000420224516 296163721 /nfs/dbraw/zinc/16/37/21/296163721.db2.gz BEWLDEHGPYXQEY-UHFFFAOYSA-N 1 3 307.344 2.860 20 0 DFADHO Clc1ccc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420298786 296171486 /nfs/dbraw/zinc/17/14/86/296171486.db2.gz HSGJZSFZMMDMTH-MRXNPFEDSA-N 1 3 321.896 2.847 20 0 DFADHO Fc1cccc(CN(CC[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420303927 296172121 /nfs/dbraw/zinc/17/21/21/296172121.db2.gz NYKQSEBBAYMMMA-YJBOKZPZSA-N 1 3 306.425 2.806 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000420302459 296171794 /nfs/dbraw/zinc/17/17/94/296171794.db2.gz MGRAHFHOYWYZLN-QGZVFWFLSA-N 1 3 318.461 2.630 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000420302459 296171795 /nfs/dbraw/zinc/17/17/95/296171795.db2.gz MGRAHFHOYWYZLN-QGZVFWFLSA-N 1 3 318.461 2.630 20 0 DFADHO CCN(CC[C@H]1CC[NH2+]C1)CC(=O)Nc1c(C)cccc1C ZINC000420306593 296172654 /nfs/dbraw/zinc/17/26/54/296172654.db2.gz QLZJTZWHRNCJFZ-MRXNPFEDSA-N 1 3 303.450 2.563 20 0 DFADHO C[C@H]([NH3+])CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000420314142 296173750 /nfs/dbraw/zinc/17/37/50/296173750.db2.gz YWOBAORTRVNZCK-ZDUSSCGKSA-N 1 3 315.383 2.560 20 0 DFADHO CCOC(=O)CCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420316444 296174022 /nfs/dbraw/zinc/17/40/22/296174022.db2.gz SSARTGVVZBKBNS-OAHLLOKOSA-N 1 3 322.474 2.645 20 0 DFADHO CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000420321399 296174971 /nfs/dbraw/zinc/17/49/71/296174971.db2.gz ZZYSQGJVXIISEQ-GJZGRUSLSA-N 1 3 303.450 2.637 20 0 DFADHO Clc1cccc([C@H]2CNCCN2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420322564 296174846 /nfs/dbraw/zinc/17/48/46/296174846.db2.gz WSKYJUJFCADDLK-WMLDXEAASA-N 1 3 307.869 2.676 20 0 DFADHO Cc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331188 296176493 /nfs/dbraw/zinc/17/64/93/296176493.db2.gz BSXLTWQZAAZNQR-GVDBMIGSSA-N 1 3 315.461 2.644 20 0 DFADHO OC1CC[NH+](CCCN[C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271732100 209165340 /nfs/dbraw/zinc/16/53/40/209165340.db2.gz CJIORXNBICEYGO-SFHVURJKSA-N 1 3 306.425 2.713 20 0 DFADHO CC1(C)CNCC[C@@H]1[NH2+]CCCc1nc(-c2cccs2)no1 ZINC000420358461 296179495 /nfs/dbraw/zinc/17/94/95/296179495.db2.gz ITYTUBKWWYFYFD-ZDUSSCGKSA-N 1 3 320.462 2.708 20 0 DFADHO CC1(C)C[NH2+]CC[C@@H]1NCCCc1nc(-c2cccs2)no1 ZINC000420358461 296179496 /nfs/dbraw/zinc/17/94/96/296179496.db2.gz ITYTUBKWWYFYFD-ZDUSSCGKSA-N 1 3 320.462 2.708 20 0 DFADHO CC[C@@H]1Cc2ccccc2CN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420365421 296180828 /nfs/dbraw/zinc/18/08/28/296180828.db2.gz SDEUDSYYKHQNJY-HKBOAZHASA-N 1 3 324.468 2.754 20 0 DFADHO CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420365421 296180829 /nfs/dbraw/zinc/18/08/29/296180829.db2.gz SDEUDSYYKHQNJY-HKBOAZHASA-N 1 3 324.468 2.754 20 0 DFADHO CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420365421 296180830 /nfs/dbraw/zinc/18/08/30/296180830.db2.gz SDEUDSYYKHQNJY-HKBOAZHASA-N 1 3 324.468 2.754 20 0 DFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]2c2cccnc2)cc1 ZINC000420364967 296180883 /nfs/dbraw/zinc/18/08/83/296180883.db2.gz RQMZKTJBNWKWKA-HKUYNNGSSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000420364967 296180885 /nfs/dbraw/zinc/18/08/85/296180885.db2.gz RQMZKTJBNWKWKA-HKUYNNGSSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000420364967 296180886 /nfs/dbraw/zinc/18/08/86/296180886.db2.gz RQMZKTJBNWKWKA-HKUYNNGSSA-N 1 3 311.429 2.970 20 0 DFADHO CCOc1ccc(OCCN[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420369004 296181530 /nfs/dbraw/zinc/18/15/30/296181530.db2.gz XHETZXVONCWCDK-SFHVURJKSA-N 1 3 306.450 2.961 20 0 DFADHO Cc1cccc(OCCN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420372864 296181741 /nfs/dbraw/zinc/18/17/41/296181741.db2.gz FUYKIWYFBFXJPU-MOPGFXCFSA-N 1 3 318.461 2.592 20 0 DFADHO CCc1cccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420374636 296182403 /nfs/dbraw/zinc/18/24/03/296182403.db2.gz HQKQIPCPGTZUCT-RTBURBONSA-N 1 3 302.462 2.967 20 0 DFADHO C[C@@H](c1ccsc1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000420383341 296183998 /nfs/dbraw/zinc/18/39/98/296183998.db2.gz ZILLVSPHWOSYHN-HNNXBMFYSA-N 1 3 307.507 2.816 20 0 DFADHO COCc1cccc(OCC2(C[N@@H+]3C[C@H](C)[C@H](N)C3)CCC2)c1 ZINC000420389669 296184798 /nfs/dbraw/zinc/18/47/98/296184798.db2.gz XTVCWPXFTJPOMV-MAUKXSAKSA-N 1 3 318.461 2.661 20 0 DFADHO COCc1cccc(OCC2(C[N@H+]3C[C@H](C)[C@H](N)C3)CCC2)c1 ZINC000420389669 296184799 /nfs/dbraw/zinc/18/47/99/296184799.db2.gz XTVCWPXFTJPOMV-MAUKXSAKSA-N 1 3 318.461 2.661 20 0 DFADHO COc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(C)c1OC ZINC000342090608 284324675 /nfs/dbraw/zinc/32/46/75/284324675.db2.gz VZSKQEOTKZTXDR-AWEZNQCLSA-N 1 3 304.434 2.586 20 0 DFADHO COc1cccc([C@H](C)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420385725 296184485 /nfs/dbraw/zinc/18/44/85/296184485.db2.gz HWPBFAIMNZYPHK-UCLAIMLFSA-N 1 3 318.461 2.975 20 0 DFADHO CC(C)[C@@H](NCCN1CC[NH2+]CC1)c1ccc(Cl)cc1F ZINC000420415796 296187883 /nfs/dbraw/zinc/18/78/83/296187883.db2.gz VHUDGWMAPRTHKM-MRXNPFEDSA-N 1 3 313.848 2.671 20 0 DFADHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@H]1CC1(C)C ZINC000487290624 299455902 /nfs/dbraw/zinc/45/59/02/299455902.db2.gz CNEPYADFFNWKCA-DLBZAZTESA-N 1 3 307.526 2.961 20 0 DFADHO O[C@H]1C[C@@H](CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000420945214 296215996 /nfs/dbraw/zinc/21/59/96/296215996.db2.gz YQKNZYMJJLGZTK-VNTMZGSJSA-N 1 3 314.473 2.744 20 0 DFADHO O[C@H]1C[C@@H](CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000420945214 296215997 /nfs/dbraw/zinc/21/59/97/296215997.db2.gz YQKNZYMJJLGZTK-VNTMZGSJSA-N 1 3 314.473 2.744 20 0 DFADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000618987821 399271969 /nfs/dbraw/zinc/27/19/69/399271969.db2.gz UZFPOYNPSAPZFH-SJLPKXTDSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000618987821 399271971 /nfs/dbraw/zinc/27/19/71/399271971.db2.gz UZFPOYNPSAPZFH-SJLPKXTDSA-N 1 3 321.509 2.630 20 0 DFADHO CC[NH+](CC)CCCCNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000353829966 284584337 /nfs/dbraw/zinc/58/43/37/284584337.db2.gz UENUQZZRLBSDCJ-KRWDZBQOSA-N 1 3 311.514 2.735 20 0 DFADHO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1(C)C ZINC000421346479 296246341 /nfs/dbraw/zinc/24/63/41/296246341.db2.gz YXRFCNWNAMPKMC-IAOVAPTHSA-N 1 3 303.450 2.700 20 0 DFADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1cccc(CN(C)C)c1 ZINC000623058562 399320822 /nfs/dbraw/zinc/32/08/22/399320822.db2.gz FSISMTKDQYXRHP-KRWDZBQOSA-N 1 3 306.454 2.633 20 0 DFADHO COc1ccc([C@H](NCCOCC[NH+](C)C)C(C)C)c(F)c1 ZINC000421842677 296277341 /nfs/dbraw/zinc/27/73/41/296277341.db2.gz OKFFDBBANWDJNV-QGZVFWFLSA-N 1 3 312.429 2.699 20 0 DFADHO C[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000421848299 296277444 /nfs/dbraw/zinc/27/74/44/296277444.db2.gz AGETUVFPPWOQHG-MRXNPFEDSA-N 1 3 320.477 2.973 20 0 DFADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000193128126 296284873 /nfs/dbraw/zinc/28/48/73/296284873.db2.gz KMGIPUJUUVDUKY-QAPCUYQASA-N 1 3 307.526 2.959 20 0 DFADHO CN(C)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336032 399365650 /nfs/dbraw/zinc/36/56/50/399365650.db2.gz RGROPLDXIMPBSH-SJORKVTESA-N 1 3 307.457 2.891 20 0 DFADHO CN(C)[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336032 399365651 /nfs/dbraw/zinc/36/56/51/399365651.db2.gz RGROPLDXIMPBSH-SJORKVTESA-N 1 3 307.457 2.891 20 0 DFADHO CN(C)[C@@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336032 399365653 /nfs/dbraw/zinc/36/56/53/399365653.db2.gz RGROPLDXIMPBSH-SJORKVTESA-N 1 3 307.457 2.891 20 0 DFADHO C[C@H](NCCCC[NH+](C)C)c1cc(Br)ncc1F ZINC000273813789 211082388 /nfs/dbraw/zinc/08/23/88/211082388.db2.gz BLHUPYWPRQPYDS-JTQLQIEISA-N 1 3 318.234 2.976 20 0 DFADHO C[N@@H+]1CC[C@@H](NCCN2CCc3sccc3C2)CC1(C)C ZINC000623372424 399374362 /nfs/dbraw/zinc/37/43/62/399374362.db2.gz ULTZVWCFTAZYJI-OAHLLOKOSA-N 1 3 307.507 2.569 20 0 DFADHO C[N@H+]1CC[C@@H](NCCN2CCc3sccc3C2)CC1(C)C ZINC000623372424 399374364 /nfs/dbraw/zinc/37/43/64/399374364.db2.gz ULTZVWCFTAZYJI-OAHLLOKOSA-N 1 3 307.507 2.569 20 0 DFADHO COC(=O)c1ccc(CNCCCC[N@@H+]2CCCC[C@H]2C)n1C ZINC000602004041 399380387 /nfs/dbraw/zinc/38/03/87/399380387.db2.gz JQEIHMKLHFPWCM-OAHLLOKOSA-N 1 3 321.465 2.556 20 0 DFADHO COC(=O)c1ccc(CNCCCC[N@H+]2CCCC[C@H]2C)n1C ZINC000602004041 399380391 /nfs/dbraw/zinc/38/03/91/399380391.db2.gz JQEIHMKLHFPWCM-OAHLLOKOSA-N 1 3 321.465 2.556 20 0 DFADHO COCCOc1cccc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422560475 296312792 /nfs/dbraw/zinc/31/27/92/296312792.db2.gz GWSBQAVZTIRJTN-UXLLHSPISA-N 1 3 306.450 2.517 20 0 DFADHO COCCOc1ccc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000422561262 296312779 /nfs/dbraw/zinc/31/27/79/296312779.db2.gz KFVHNBNJYOOCHX-UXLLHSPISA-N 1 3 306.450 2.517 20 0 DFADHO CCC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OC)cc1 ZINC000268858257 207027104 /nfs/dbraw/zinc/02/71/04/207027104.db2.gz RNVAXRBJDNAPAI-AEFFLSMTSA-N 1 3 306.450 2.583 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1ccn(-c2ccccc2)n1 ZINC000268887913 207056851 /nfs/dbraw/zinc/05/68/51/207056851.db2.gz XOEAYZZJSPTGQH-JTDSTZFVSA-N 1 3 312.461 2.733 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1ccn(-c2ccccc2)n1 ZINC000268887913 207056855 /nfs/dbraw/zinc/05/68/55/207056855.db2.gz XOEAYZZJSPTGQH-JTDSTZFVSA-N 1 3 312.461 2.733 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(OC)c3)C2)[C@@H](C)C1 ZINC000268880701 207050268 /nfs/dbraw/zinc/05/02/68/207050268.db2.gz WOTKATQJYDLQDX-FCEWJHQRSA-N 1 3 317.477 2.594 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(OC)c3)C2)[C@@H](C)C1 ZINC000268880701 207050271 /nfs/dbraw/zinc/05/02/71/207050271.db2.gz WOTKATQJYDLQDX-FCEWJHQRSA-N 1 3 317.477 2.594 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2nc3c(cccc3C)o2)[C@H](C)C1 ZINC000268880108 207051942 /nfs/dbraw/zinc/05/19/42/207051942.db2.gz AVTXGMAJRMSZNU-CABCVRRESA-N 1 3 301.434 2.999 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2nc3c(cccc3C)o2)[C@H](C)C1 ZINC000268880108 207051945 /nfs/dbraw/zinc/05/19/45/207051945.db2.gz AVTXGMAJRMSZNU-CABCVRRESA-N 1 3 301.434 2.999 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(OC)c3)C2)[C@H](C)C1 ZINC000268880703 207052180 /nfs/dbraw/zinc/05/21/80/207052180.db2.gz WOTKATQJYDLQDX-MDZRGWNJSA-N 1 3 317.477 2.594 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(OC)c3)C2)[C@H](C)C1 ZINC000268880703 207052184 /nfs/dbraw/zinc/05/21/84/207052184.db2.gz WOTKATQJYDLQDX-MDZRGWNJSA-N 1 3 317.477 2.594 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623493627 399400949 /nfs/dbraw/zinc/40/09/49/399400949.db2.gz LWLRJFCVDHNIGW-NZSAHSFTSA-N 1 3 315.505 2.969 20 0 DFADHO Fc1ccc(Br)cc1CCN[C@H]1CCC[NH2+]CC1 ZINC000422700982 296318410 /nfs/dbraw/zinc/31/84/10/296318410.db2.gz HSNUMKUVCYCRQM-ZDUSSCGKSA-N 1 3 315.230 2.862 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1(C)C ZINC000623507236 399404467 /nfs/dbraw/zinc/40/44/67/399404467.db2.gz ADLAYMVASXZOBR-SCTDSRPQSA-N 1 3 320.452 2.754 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1(C)C ZINC000623507236 399404471 /nfs/dbraw/zinc/40/44/71/399404471.db2.gz ADLAYMVASXZOBR-SCTDSRPQSA-N 1 3 320.452 2.754 20 0 DFADHO CC(=O)Nc1ccc(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422708691 296319504 /nfs/dbraw/zinc/31/95/04/296319504.db2.gz CGPFMUFUPKHYOW-MOPGFXCFSA-N 1 3 309.413 2.922 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](C)N1CCc2ccccc21 ZINC000422709731 296319645 /nfs/dbraw/zinc/31/96/45/296319645.db2.gz DVHOPVQZCUIBLY-ZWOKBUDYSA-N 1 3 323.484 2.986 20 0 DFADHO COc1ccccc1[C@H](CN[C@H](C)C[C@@H](C)[NH3+])N1CCCCC1 ZINC000422709301 296319658 /nfs/dbraw/zinc/31/96/58/296319658.db2.gz KIBXIXCPUVAJQN-NUJGCVRESA-N 1 3 319.493 2.938 20 0 DFADHO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)[C@H]1CCCCN1 ZINC000422711319 296320200 /nfs/dbraw/zinc/32/02/00/296320200.db2.gz GWYQWRAUYRUKIO-SQWLQELKSA-N 1 3 307.507 2.615 20 0 DFADHO COc1ccc(CCN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1F ZINC000422714606 296320393 /nfs/dbraw/zinc/32/03/93/296320393.db2.gz RDVJSSWZNNMOKF-KSSFIOAISA-N 1 3 316.420 2.925 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)N1CCc2ccccc2C1 ZINC000422711889 296319988 /nfs/dbraw/zinc/31/99/88/296319988.db2.gz HQFAORKSQWIOKK-SZVBFZGTSA-N 1 3 301.478 2.540 20 0 DFADHO C[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422711889 296319990 /nfs/dbraw/zinc/31/99/90/296319990.db2.gz HQFAORKSQWIOKK-SZVBFZGTSA-N 1 3 301.478 2.540 20 0 DFADHO COc1ccc(CCC[NH2+][C@H]2CCNCC[C@H]2C)cc1OC ZINC000422717867 296320996 /nfs/dbraw/zinc/32/09/96/296320996.db2.gz KSVXMNHYQDGOEZ-ZBFHGGJFSA-N 1 3 306.450 2.614 20 0 DFADHO C[N@@H+]1CC[C@@H](N[C@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623531162 399410009 /nfs/dbraw/zinc/41/00/09/399410009.db2.gz KXGFPCXENGNOIL-CABCVRRESA-N 1 3 305.441 2.867 20 0 DFADHO C[N@H+]1CC[C@@H](N[C@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623531162 399410010 /nfs/dbraw/zinc/41/00/10/399410010.db2.gz KXGFPCXENGNOIL-CABCVRRESA-N 1 3 305.441 2.867 20 0 DFADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723537 296321603 /nfs/dbraw/zinc/32/16/03/296321603.db2.gz RSPXXKIXEJVWNO-UGSOOPFHSA-N 1 3 323.431 2.517 20 0 DFADHO CC[C@@H](NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422724321 296321854 /nfs/dbraw/zinc/32/18/54/296321854.db2.gz VIHOXBZMMABANP-MOPGFXCFSA-N 1 3 319.468 2.910 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000623545044 399413206 /nfs/dbraw/zinc/41/32/06/399413206.db2.gz YMHCTCPEYZTJDK-QZTJIDSGSA-N 1 3 304.478 2.669 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000623545044 399413210 /nfs/dbraw/zinc/41/32/10/399413210.db2.gz YMHCTCPEYZTJDK-QZTJIDSGSA-N 1 3 304.478 2.669 20 0 DFADHO CC[C@@H]1CCCCN1CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000422730992 296323205 /nfs/dbraw/zinc/32/32/05/296323205.db2.gz MXXBNXJJFNQNRV-QRQLOZEOSA-N 1 3 303.494 2.799 20 0 DFADHO CO[C@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C(C)C ZINC000268998662 207155594 /nfs/dbraw/zinc/15/55/94/207155594.db2.gz UFZJTXFLIDEEFR-CRAIPNDOSA-N 1 3 308.466 2.949 20 0 DFADHO CCOC(=O)CC[C@@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000611036221 399430221 /nfs/dbraw/zinc/43/02/21/399430221.db2.gz FIFILSUULAGNGS-DLBZAZTESA-N 1 3 310.482 2.916 20 0 DFADHO CCOC(=O)CC[C@@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000611036221 399430223 /nfs/dbraw/zinc/43/02/23/399430223.db2.gz FIFILSUULAGNGS-DLBZAZTESA-N 1 3 310.482 2.916 20 0 DFADHO CO[C@@H](C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C(C)C ZINC000269011558 207163249 /nfs/dbraw/zinc/16/32/49/207163249.db2.gz XNQLOJZECYAILT-QAPCUYQASA-N 1 3 308.466 2.949 20 0 DFADHO COCCCOc1cccc(C[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000623656171 399436378 /nfs/dbraw/zinc/43/63/78/399436378.db2.gz OOCGMNQGXQDIAZ-GOSISDBHSA-N 1 3 320.477 2.923 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623656542 399437417 /nfs/dbraw/zinc/43/74/17/399437417.db2.gz WNKPQWDWXVMHEJ-MISYRCLQSA-N 1 3 315.505 2.828 20 0 DFADHO COCCOc1cccc(C[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000623656322 399437438 /nfs/dbraw/zinc/43/74/38/399437438.db2.gz RZDHWLJQLZUQII-QGZVFWFLSA-N 1 3 306.450 2.533 20 0 DFADHO Cn1cc(C[NH2+]C[C@H]2CCCCN(C)C2)c(-c2ccccc2)n1 ZINC000623657693 399438068 /nfs/dbraw/zinc/43/80/68/399438068.db2.gz WRIJIQIPLITXFU-MRXNPFEDSA-N 1 3 312.461 2.909 20 0 DFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCNc1ccccn1 ZINC000269052885 207202359 /nfs/dbraw/zinc/20/23/59/207202359.db2.gz RNYRHPYISFCNJH-PKOBYXMFSA-N 1 3 324.472 2.994 20 0 DFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCNc1ccccn1 ZINC000269052885 207202360 /nfs/dbraw/zinc/20/23/60/207202360.db2.gz RNYRHPYISFCNJH-PKOBYXMFSA-N 1 3 324.472 2.994 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCNc1ccccn1 ZINC000269052884 207203099 /nfs/dbraw/zinc/20/30/99/207203099.db2.gz RNYRHPYISFCNJH-MJGOQNOKSA-N 1 3 324.472 2.994 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCNc1ccccn1 ZINC000269052884 207203104 /nfs/dbraw/zinc/20/31/04/207203104.db2.gz RNYRHPYISFCNJH-MJGOQNOKSA-N 1 3 324.472 2.994 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccccc1C(F)(F)F ZINC000269052745 207203610 /nfs/dbraw/zinc/20/36/10/207203610.db2.gz RJDQVQCDKKCNBH-GFCCVEGCSA-N 1 3 316.367 2.813 20 0 DFADHO CCO[C@@]1(C)C[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000623677849 399442504 /nfs/dbraw/zinc/44/25/04/399442504.db2.gz DAGXZZLSCYCKFW-MOPGFXCFSA-N 1 3 318.461 2.818 20 0 DFADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000063195096 184277885 /nfs/dbraw/zinc/27/78/85/184277885.db2.gz UKTMCXNVQXKGPP-DOMZBBRYSA-N 1 3 309.841 2.870 20 0 DFADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000063195096 184277886 /nfs/dbraw/zinc/27/78/86/184277886.db2.gz UKTMCXNVQXKGPP-DOMZBBRYSA-N 1 3 309.841 2.870 20 0 DFADHO CCCC[C@H](C[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269186072 207305319 /nfs/dbraw/zinc/30/53/19/207305319.db2.gz HUBNUBPTPQPCLW-GOSISDBHSA-N 1 3 317.477 2.532 20 0 DFADHO COc1cccc(CNCC2CC[NH+](C)CC2)c1OC(F)F ZINC000065996775 184384255 /nfs/dbraw/zinc/38/42/55/184384255.db2.gz ZZBIVVZNFTUZIL-UHFFFAOYSA-N 1 3 314.376 2.728 20 0 DFADHO CC[C@H](NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422735799 296323654 /nfs/dbraw/zinc/32/36/54/296323654.db2.gz WRXKMUUJWYAJBE-FHWLQOOXSA-N 1 3 301.478 2.944 20 0 DFADHO CCC[C@H](NC1CCC(C[NH3+])CC1)c1nnc2ccccn21 ZINC000422735561 296323774 /nfs/dbraw/zinc/32/37/74/296323774.db2.gz FFVGCNGUZJWODK-NRXISQOPSA-N 1 3 301.438 2.678 20 0 DFADHO c1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422736458 296323814 /nfs/dbraw/zinc/32/38/14/296323814.db2.gz YBRKXKLAAHMXRA-CADBVGFASA-N 1 3 300.446 2.811 20 0 DFADHO COc1ccccc1[C@@H](CN[C@@H]1CCC[NH2+]CC1)N1CCCC1 ZINC000422748639 296325604 /nfs/dbraw/zinc/32/56/04/296325604.db2.gz VMAIWVSRSYHCTR-SJLPKXTDSA-N 1 3 317.477 2.564 20 0 DFADHO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000422745764 296325247 /nfs/dbraw/zinc/32/52/47/296325247.db2.gz MUXNZJWGTGYJRS-HHXXYDBFSA-N 1 3 301.478 2.929 20 0 DFADHO CC[C@H](N[C@H]1CCN([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422745661 296325379 /nfs/dbraw/zinc/32/53/79/296325379.db2.gz VKMFMCAWJTWHQW-WNHJNPCNSA-N 1 3 301.478 2.942 20 0 DFADHO c1ccc(SCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422750393 296326198 /nfs/dbraw/zinc/32/61/98/296326198.db2.gz DATQBZOXVYZIES-FGTMMUONSA-N 1 3 320.502 2.916 20 0 DFADHO C[C@H](Cc1cccc(Br)c1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000422751274 296326483 /nfs/dbraw/zinc/32/64/83/296326483.db2.gz BCTKDWITYRVULW-DYEKYZERSA-N 1 3 311.267 2.968 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422750996 296326552 /nfs/dbraw/zinc/32/65/52/296326552.db2.gz ATRZVMYFDLBLLB-SOABOVLPSA-N 1 3 317.452 2.976 20 0 DFADHO COc1ccc([C@H](CN[C@H]2CCC[C@@H]2[NH3+])N2CCCCC2)cc1 ZINC000422755439 296327342 /nfs/dbraw/zinc/32/73/42/296327342.db2.gz HSRVYHJGYIUCDT-FHWLQOOXSA-N 1 3 317.477 2.692 20 0 DFADHO COc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2N)N2CCCCC2)cc1 ZINC000422755439 296327343 /nfs/dbraw/zinc/32/73/43/296327343.db2.gz HSRVYHJGYIUCDT-FHWLQOOXSA-N 1 3 317.477 2.692 20 0 DFADHO O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000422758713 296328098 /nfs/dbraw/zinc/32/80/98/296328098.db2.gz OFGMXSOYUHYSRT-RCCFBDPRSA-N 1 3 321.509 2.680 20 0 DFADHO O=C1CCCCCN1CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422758713 296328099 /nfs/dbraw/zinc/32/80/99/296328099.db2.gz OFGMXSOYUHYSRT-RCCFBDPRSA-N 1 3 321.509 2.680 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NCCC[N@@H+]1CCCC[C@H]1C ZINC000422756841 296327858 /nfs/dbraw/zinc/32/78/58/296327858.db2.gz CMGAEQGCBIRUQN-HUUCEWRRSA-N 1 3 304.482 2.764 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NCCC[N@H+]1CCCC[C@H]1C ZINC000422756841 296327859 /nfs/dbraw/zinc/32/78/59/296327859.db2.gz CMGAEQGCBIRUQN-HUUCEWRRSA-N 1 3 304.482 2.764 20 0 DFADHO COc1ccc([C@H](CN[C@@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000422760595 296328404 /nfs/dbraw/zinc/32/84/04/296328404.db2.gz QILPCFNZKBMEMK-MJGOQNOKSA-N 1 3 317.477 2.564 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](CCO)c1ccccc1 ZINC000422775588 296331013 /nfs/dbraw/zinc/33/10/13/296331013.db2.gz BYRTZMDBTFJQCF-DBVUQKKJSA-N 1 3 312.457 2.701 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCn1cnc2ccccc21 ZINC000422772839 296330619 /nfs/dbraw/zinc/33/06/19/296330619.db2.gz ZQMRWHUBDQWGHJ-MAUKXSAKSA-N 1 3 308.429 2.584 20 0 DFADHO Clc1ccccc1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422775680 296331132 /nfs/dbraw/zinc/33/11/32/296331132.db2.gz BCWCBAUWOMVAAT-USXIJHARSA-N 1 3 308.853 2.629 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422778204 296331638 /nfs/dbraw/zinc/33/16/38/296331638.db2.gz ALHYJSJXGOJKHG-QBPKDAKJSA-N 1 3 318.461 2.973 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@H]1CCCCO1 ZINC000623888956 399487883 /nfs/dbraw/zinc/48/78/83/399487883.db2.gz ZTCOTPZPAIJXNB-VQIMIIECSA-N 1 3 320.477 2.717 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000422780855 296332043 /nfs/dbraw/zinc/33/20/43/296332043.db2.gz KUOBNWSEHQNLQD-SJWGOKEGSA-N 1 3 303.450 2.703 20 0 DFADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cnccc1N ZINC000422786491 296332586 /nfs/dbraw/zinc/33/25/86/296332586.db2.gz OZYIXYYPDKFSCF-HNNXBMFYSA-N 1 3 310.445 2.941 20 0 DFADHO c1ccc([C@H]2C[C@H]([NH2+]CCCN3CCCCC3)CCN2)cc1 ZINC000422790349 296333132 /nfs/dbraw/zinc/33/31/32/296333132.db2.gz TVNFJQJHTYPSGB-RTBURBONSA-N 1 3 301.478 2.945 20 0 DFADHO c1ccc(CN2CCCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422790327 296333165 /nfs/dbraw/zinc/33/31/65/296333165.db2.gz XPSKNDNMVOSPCD-XNMUZJSGSA-N 1 3 313.489 2.914 20 0 DFADHO c1ccc([C@@H]2C[C@H]([NH2+]CCCN3CCCCC3)CCN2)cc1 ZINC000422790346 296333407 /nfs/dbraw/zinc/33/34/07/296333407.db2.gz TVNFJQJHTYPSGB-MOPGFXCFSA-N 1 3 301.478 2.945 20 0 DFADHO CC[C@H](NCCCn1cnc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422793339 296333726 /nfs/dbraw/zinc/33/37/26/296333726.db2.gz XZRQHEYZNMDIES-JKSUJKDBSA-N 1 3 300.450 2.937 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)c1cccc(OC)c1 ZINC000422795639 296334431 /nfs/dbraw/zinc/33/44/31/296334431.db2.gz IALZLNQZHXYBBP-ZYSHUDEJSA-N 1 3 319.493 2.666 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000422794835 296334071 /nfs/dbraw/zinc/33/40/71/296334071.db2.gz GYVQVPZKBZWIDT-PKOBYXMFSA-N 1 3 319.493 2.810 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])c1cccc(OC)c1 ZINC000422797257 296334817 /nfs/dbraw/zinc/33/48/17/296334817.db2.gz LSAJRYRQZCPWON-NZSAHSFTSA-N 1 3 319.493 2.795 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422798339 296334841 /nfs/dbraw/zinc/33/48/41/296334841.db2.gz QRRXJENDEAEOTP-YJBOKZPZSA-N 1 3 316.493 2.764 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422798339 296334842 /nfs/dbraw/zinc/33/48/42/296334842.db2.gz QRRXJENDEAEOTP-YJBOKZPZSA-N 1 3 316.493 2.764 20 0 DFADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422798359 296334989 /nfs/dbraw/zinc/33/49/89/296334989.db2.gz QTWHDEWJXFJYLQ-CABCVRRESA-N 1 3 318.461 2.985 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422798359 296334990 /nfs/dbraw/zinc/33/49/90/296334990.db2.gz QTWHDEWJXFJYLQ-CABCVRRESA-N 1 3 318.461 2.985 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCOc1ccc2ccccc2c1 ZINC000422809960 296336901 /nfs/dbraw/zinc/33/69/01/296336901.db2.gz MVBFYVGZTVDHGC-KYNGSXCRSA-N 1 3 314.429 2.561 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOc1ccc2ccccc2c1 ZINC000422809959 296336991 /nfs/dbraw/zinc/33/69/91/296336991.db2.gz MVBFYVGZTVDHGC-JVPBZIDWSA-N 1 3 314.429 2.561 20 0 DFADHO CCc1ccc([C@H](CC(C)C)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000623960601 399504929 /nfs/dbraw/zinc/50/49/29/399504929.db2.gz BDVAWTMASJKTIX-OALUTQOASA-N 1 3 304.478 2.992 20 0 DFADHO CCc1ccc([C@H](CC(C)C)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000623960601 399504933 /nfs/dbraw/zinc/50/49/33/399504933.db2.gz BDVAWTMASJKTIX-OALUTQOASA-N 1 3 304.478 2.992 20 0 DFADHO CN(C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422811093 296337407 /nfs/dbraw/zinc/33/74/07/296337407.db2.gz TZLNCYDFXTYYJU-CEXWTWQISA-N 1 3 301.478 2.759 20 0 DFADHO CC(C)(CN[C@H]1CCCCC[C@@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000422819821 296338923 /nfs/dbraw/zinc/33/89/23/296338923.db2.gz IYTPTQNYVMTXKK-HOTGVXAUSA-N 1 3 318.461 2.985 20 0 DFADHO CN(CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422820162 296339084 /nfs/dbraw/zinc/33/90/84/296339084.db2.gz PFMMJFHKKDCCBV-IPMKNSEASA-N 1 3 319.468 2.768 20 0 DFADHO C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000631841421 399506582 /nfs/dbraw/zinc/50/65/82/399506582.db2.gz KKGPDCTYYSEGHU-QAPCUYQASA-N 1 3 323.440 2.966 20 0 DFADHO CN(C)[C@]1(C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)CCSC1 ZINC000422817831 296338708 /nfs/dbraw/zinc/33/87/08/296338708.db2.gz DXDIPCFKYYKWSU-BZSNNMDCSA-N 1 3 319.518 2.507 20 0 DFADHO CC[C@H](NCc1ccccc1OCCN(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422824845 296339688 /nfs/dbraw/zinc/33/96/88/296339688.db2.gz OQSDYOQIAHEZFJ-ROUUACIJSA-N 1 3 319.493 2.637 20 0 DFADHO CC(C)(CN[C@H]1CCCCC[C@@H]1[NH3+])c1ccc2c(c1)OCO2 ZINC000422823647 296339771 /nfs/dbraw/zinc/33/97/71/296339771.db2.gz MBKJONUQPSACKY-GJZGRUSLSA-N 1 3 304.434 2.943 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1ccccc1Br ZINC000422825350 296339993 /nfs/dbraw/zinc/33/99/93/296339993.db2.gz JOQOUPSCFMTRKS-SWLSCSKDSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccccc1Br ZINC000422825350 296339995 /nfs/dbraw/zinc/33/99/95/296339995.db2.gz JOQOUPSCFMTRKS-SWLSCSKDSA-N 1 3 311.267 2.969 20 0 DFADHO c1c(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc2n1CCCC2 ZINC000422830088 296341017 /nfs/dbraw/zinc/34/10/17/296341017.db2.gz HYVOJRSGMIEDDD-OKZBNKHCSA-N 1 3 316.493 2.662 20 0 DFADHO Cc1ccc([C@@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422826730 296340338 /nfs/dbraw/zinc/34/03/38/296340338.db2.gz LYLIHVUDRVMDNV-YTQUADARSA-N 1 3 301.478 2.862 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422834613 296341755 /nfs/dbraw/zinc/34/17/55/296341755.db2.gz ZVUJSDLXXACFJK-GDBMZVCRSA-N 1 3 318.461 2.713 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422834615 296341807 /nfs/dbraw/zinc/34/18/07/296341807.db2.gz ZVUJSDLXXACFJK-HOCLYGCPSA-N 1 3 318.461 2.713 20 0 DFADHO C[C@H](NC[C@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834948 296341877 /nfs/dbraw/zinc/34/18/77/296341877.db2.gz HZWQVDBPUJQBGD-UXLLHSPISA-N 1 3 307.507 2.690 20 0 DFADHO CCN(CC)[C@@H](CN[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000422836739 296342170 /nfs/dbraw/zinc/34/21/70/296342170.db2.gz RWUXJWSUVWFGCF-RBUKOAKNSA-N 1 3 303.494 2.671 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422841418 296342744 /nfs/dbraw/zinc/34/27/44/296342744.db2.gz CYNDZILFAMIEIM-RRQGHBQHSA-N 1 3 306.425 2.589 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2ccc(F)cc2)CCC1 ZINC000422841418 296342745 /nfs/dbraw/zinc/34/27/45/296342745.db2.gz CYNDZILFAMIEIM-RRQGHBQHSA-N 1 3 306.425 2.589 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422848151 296344349 /nfs/dbraw/zinc/34/43/49/296344349.db2.gz SQFPUSWSCDIVJK-IXDOHACOSA-N 1 3 307.869 2.946 20 0 DFADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422848151 296344351 /nfs/dbraw/zinc/34/43/51/296344351.db2.gz SQFPUSWSCDIVJK-IXDOHACOSA-N 1 3 307.869 2.946 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422850957 296344723 /nfs/dbraw/zinc/34/47/23/296344723.db2.gz WKOUBRIOEMJRLE-UONOGXRCSA-N 1 3 312.417 2.549 20 0 DFADHO C[C@@H]1CCCCN1CC[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000422862932 296346842 /nfs/dbraw/zinc/34/68/42/296346842.db2.gz OFQDEEGBKVUJSI-NEWSRXKRSA-N 1 3 301.478 2.944 20 0 DFADHO C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000422862934 296346875 /nfs/dbraw/zinc/34/68/75/296346875.db2.gz OFQDEEGBKVUJSI-QRQLOZEOSA-N 1 3 301.478 2.944 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2CN)cc1OC ZINC000422858215 296345948 /nfs/dbraw/zinc/34/59/48/296345948.db2.gz ICEDWYFXVLHCAT-DZGCQCFKSA-N 1 3 306.450 2.698 20 0 DFADHO C[C@H](N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000422872820 296348163 /nfs/dbraw/zinc/34/81/63/296348163.db2.gz ITQQVDPBRSXMMU-KCITZHQASA-N 1 3 301.478 2.627 20 0 DFADHO CN(CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000422867696 296347518 /nfs/dbraw/zinc/34/75/18/296347518.db2.gz SZACFWNZVFVLAU-SOUVJXGZSA-N 1 3 321.431 2.771 20 0 DFADHO CN(CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)CC(F)(F)F ZINC000422867696 296347521 /nfs/dbraw/zinc/34/75/21/296347521.db2.gz SZACFWNZVFVLAU-SOUVJXGZSA-N 1 3 321.431 2.771 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])N2CCCC2)o1 ZINC000422876988 296349072 /nfs/dbraw/zinc/34/90/72/296349072.db2.gz HCUIVISAZFEWIJ-ZACQAIPSSA-N 1 3 305.466 2.832 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422880396 296349270 /nfs/dbraw/zinc/34/92/70/296349270.db2.gz OAHAKSDVKYKBOX-WBAXXEDZSA-N 1 3 320.452 2.979 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)N2CCCC2)o1 ZINC000422881156 296349733 /nfs/dbraw/zinc/34/97/33/296349733.db2.gz PQAPLZVNNJJCHR-PVAVHDDUSA-N 1 3 305.466 2.703 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(Sc2ccccc2)CC1 ZINC000422902492 296353314 /nfs/dbraw/zinc/35/33/14/296353314.db2.gz DKFFYECFEMCGMP-CWRNSKLLSA-N 1 3 306.475 2.653 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422902492 296353315 /nfs/dbraw/zinc/35/33/15/296353315.db2.gz DKFFYECFEMCGMP-CWRNSKLLSA-N 1 3 306.475 2.653 20 0 DFADHO COc1ccc(COCCC[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000422902925 296353347 /nfs/dbraw/zinc/35/33/47/296353347.db2.gz FBJJHJSCNQDVEV-WMZOPIPTSA-N 1 3 306.450 2.709 20 0 DFADHO CC(C)COc1cccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000422902662 296353479 /nfs/dbraw/zinc/35/34/79/296353479.db2.gz UXNJQYQYXAFUHT-JCGIZDLHSA-N 1 3 306.450 2.563 20 0 DFADHO Cc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422898596 296352482 /nfs/dbraw/zinc/35/24/82/296352482.db2.gz FPXGGJDOGXKWIA-YTQUADARSA-N 1 3 314.473 2.773 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000422904431 296353704 /nfs/dbraw/zinc/35/37/04/296353704.db2.gz PYCPUPZVOZJRON-DOTOQJQBSA-N 1 3 316.424 2.927 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000422907246 296354273 /nfs/dbraw/zinc/35/42/73/296354273.db2.gz LFCFABODVKURDI-HUUCEWRRSA-N 1 3 323.868 2.659 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000422908673 296354622 /nfs/dbraw/zinc/35/46/22/296354622.db2.gz YYRKLDDVOSZGOQ-CVEARBPZSA-N 1 3 302.397 2.761 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOc1cccc(C(F)(F)F)c1 ZINC000422929938 296356753 /nfs/dbraw/zinc/35/67/53/296356753.db2.gz ALFGFFMZQKVFGF-SMDDNHRTSA-N 1 3 302.340 2.801 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOc1ccc(C(C)(C)C)cc1 ZINC000422929772 296356947 /nfs/dbraw/zinc/35/69/47/296356947.db2.gz RMKUMOOUCFHVTB-WBAXXEDZSA-N 1 3 320.477 2.705 20 0 DFADHO Cc1cccc(C)c1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422933777 296357321 /nfs/dbraw/zinc/35/73/21/296357321.db2.gz DTMRYGITYKBUMG-CEXWTWQISA-N 1 3 302.462 2.593 20 0 DFADHO C[C@@H](NCCOc1cccc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000422939233 296358199 /nfs/dbraw/zinc/35/81/99/296358199.db2.gz IABBKMYIIPZWKZ-VXGBXAGGSA-N 1 3 302.340 2.672 20 0 DFADHO CC(C)[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000422935691 296357654 /nfs/dbraw/zinc/35/76/54/296357654.db2.gz HKQKJQLOFFYEKG-QRFRQXIXSA-N 1 3 315.505 2.657 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCOc1cccc2ccccc21 ZINC000422936599 296357840 /nfs/dbraw/zinc/35/78/40/296357840.db2.gz FJJJMIALOOKZKK-JCGIZDLHSA-N 1 3 314.429 2.561 20 0 DFADHO CC[C@H](N[C@H]1CC[NH2+]CC[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000422947107 296359208 /nfs/dbraw/zinc/35/92/08/296359208.db2.gz PXKFEGHKOVBHHM-BPUTZDHNSA-N 1 3 304.434 2.887 20 0 DFADHO CC(C)[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422947737 296359299 /nfs/dbraw/zinc/35/92/99/296359299.db2.gz YSJOBVSAFFPOLF-LSTHTHJFSA-N 1 3 315.505 2.799 20 0 DFADHO Clc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000422946999 296359376 /nfs/dbraw/zinc/35/93/76/296359376.db2.gz XPFSDGNKQKDPNB-MGPQQGTHSA-N 1 3 314.882 2.691 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1ccc(Br)cc1 ZINC000422948226 296359614 /nfs/dbraw/zinc/35/96/14/296359614.db2.gz RNNSVSKBMAPJOD-GHMZBOCLSA-N 1 3 301.228 2.543 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCCOc1ccc(Br)cc1 ZINC000422948231 296359688 /nfs/dbraw/zinc/35/96/88/296359688.db2.gz RNNSVSKBMAPJOD-WDEREUQCSA-N 1 3 301.228 2.543 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1cccc(Br)c1 ZINC000422949351 296359767 /nfs/dbraw/zinc/35/97/67/296359767.db2.gz TUCVISYVZTZCBE-MNOVXSKESA-N 1 3 301.228 2.543 20 0 DFADHO C[C@@H](NCCc1coc(-c2ccc(F)cc2)n1)[C@H]1CC[NH2+]C1 ZINC000422945806 296358829 /nfs/dbraw/zinc/35/88/29/296358829.db2.gz NYBGNJBRNFOZBM-OCCSQVGLSA-N 1 3 303.381 2.611 20 0 DFADHO [NH3+][C@H]1CCC[C@H]1NCCCc1nc(-c2ccncc2)cs1 ZINC000422958222 296360895 /nfs/dbraw/zinc/36/08/95/296360895.db2.gz XCXXCTOGWWUGHT-UONOGXRCSA-N 1 3 302.447 2.607 20 0 DFADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2ccc(C)o2)CC[NH2+]CC1 ZINC000422961911 296361243 /nfs/dbraw/zinc/36/12/43/296361243.db2.gz DFWFRTXWTPHKMR-KBPBESRZSA-N 1 3 308.422 2.560 20 0 DFADHO CC(C)(CO)[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000422962236 296361250 /nfs/dbraw/zinc/36/12/50/296361250.db2.gz CFHYALHOBLTUMJ-RCCFBDPRSA-N 1 3 304.478 2.896 20 0 DFADHO CC[C@H](C[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1)N1CCCC1 ZINC000422961368 296361445 /nfs/dbraw/zinc/36/14/45/296361445.db2.gz BLUNGACYFYDSOG-IPMKNSEASA-N 1 3 301.478 2.944 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000422962626 296361614 /nfs/dbraw/zinc/36/16/14/296361614.db2.gz CXNLHWFNPGAYPP-NXHRZFHOSA-N 1 3 304.478 2.766 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1ccccc1)C(C)(C)CO ZINC000422962626 296361616 /nfs/dbraw/zinc/36/16/16/296361616.db2.gz CXNLHWFNPGAYPP-NXHRZFHOSA-N 1 3 304.478 2.766 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCNc1cccc(Br)c1 ZINC000422963298 296361641 /nfs/dbraw/zinc/36/16/41/296361641.db2.gz IEWPKIILLVXMRE-SMDDNHRTSA-N 1 3 312.255 2.578 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000422963298 296361643 /nfs/dbraw/zinc/36/16/43/296361643.db2.gz IEWPKIILLVXMRE-SMDDNHRTSA-N 1 3 312.255 2.578 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000422963135 296361669 /nfs/dbraw/zinc/36/16/69/296361669.db2.gz HQAVAGGODPSRMF-BBWFWOEESA-N 1 3 305.466 2.914 20 0 DFADHO O=C(NCCCCC[NH+]1CCCCC1)c1ccc2c(c1)CNC2 ZINC000347543695 285075761 /nfs/dbraw/zinc/07/57/61/285075761.db2.gz YQTKMZJNHNKNKL-UHFFFAOYSA-N 1 3 315.461 2.676 20 0 DFADHO CCCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)cn1 ZINC000422972676 296363329 /nfs/dbraw/zinc/36/33/29/296363329.db2.gz AGOAFELSILHCQG-QAPCUYQASA-N 1 3 313.445 2.919 20 0 DFADHO Cc1cc(C)c(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422997144 296365153 /nfs/dbraw/zinc/36/51/53/296365153.db2.gz AOVIRLLQXWNPBE-VAMGGRTRSA-N 1 3 316.489 2.901 20 0 DFADHO Cc1cc(C[C@H](C)N[C@@H](C)[C@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000422995581 296365265 /nfs/dbraw/zinc/36/52/65/296365265.db2.gz KKSCRQFUYFINFC-XIRDDKMYSA-N 1 3 312.461 2.699 20 0 DFADHO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000423005332 296366288 /nfs/dbraw/zinc/36/62/88/296366288.db2.gz RMPFAMLAMJEQSC-QRQLOZEOSA-N 1 3 303.494 2.655 20 0 DFADHO C[C@@H]1CCNC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423002484 296366084 /nfs/dbraw/zinc/36/60/84/296366084.db2.gz JJHJOAVFVMRRAH-IUODEOHRSA-N 1 3 316.367 2.853 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000422999209 296365633 /nfs/dbraw/zinc/36/56/33/296365633.db2.gz SCERGADLNOYYRE-YPMHNXCESA-N 1 3 317.355 2.586 20 0 DFADHO Cc1cn2c(n1)[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])CCC2 ZINC000423005528 296366436 /nfs/dbraw/zinc/36/64/36/296366436.db2.gz MLMICPHZGXITIJ-BPQIPLTHSA-N 1 3 312.461 2.617 20 0 DFADHO C[C@@H](N[C@@H](C)Cc1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000423013484 296367677 /nfs/dbraw/zinc/36/76/77/296367677.db2.gz MXCVVZBPAGGSCT-VHSXEESVSA-N 1 3 315.230 2.717 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)Cc1cc(Br)ccc1F)C1CNC1 ZINC000423013484 296367679 /nfs/dbraw/zinc/36/76/79/296367679.db2.gz MXCVVZBPAGGSCT-VHSXEESVSA-N 1 3 315.230 2.717 20 0 DFADHO C[C@H](Cc1cc(Br)ccc1F)N[C@@H](C)C1C[NH2+]C1 ZINC000423013485 296367906 /nfs/dbraw/zinc/36/79/06/296367906.db2.gz MXCVVZBPAGGSCT-ZJUUUORDSA-N 1 3 315.230 2.717 20 0 DFADHO C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H](C)C1CNC1 ZINC000423013485 296367907 /nfs/dbraw/zinc/36/79/07/296367907.db2.gz MXCVVZBPAGGSCT-ZJUUUORDSA-N 1 3 315.230 2.717 20 0 DFADHO CC(C)CSCCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423013240 296367353 /nfs/dbraw/zinc/36/73/53/296367353.db2.gz MIKAUFPOYWNZCP-HRCADAONSA-N 1 3 300.512 2.512 20 0 DFADHO COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423025899 296369178 /nfs/dbraw/zinc/36/91/78/296369178.db2.gz PKWKVYHLLRJMAS-OWCLPIDISA-N 1 3 306.450 2.817 20 0 DFADHO c1ccc(COCCC2(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423026338 296369272 /nfs/dbraw/zinc/36/92/72/296369272.db2.gz NGICSJKLPRNJFV-JWTNVVGKSA-N 1 3 300.446 2.999 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423027007 296369282 /nfs/dbraw/zinc/36/92/82/296369282.db2.gz CQJUTWAXLACEKY-ZFWWWQNUSA-N 1 3 318.396 2.525 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423027007 296369283 /nfs/dbraw/zinc/36/92/83/296369283.db2.gz CQJUTWAXLACEKY-ZFWWWQNUSA-N 1 3 318.396 2.525 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H]3CCC[C@H]3C[NH3+])c2)CC1 ZINC000423021585 296368956 /nfs/dbraw/zinc/36/89/56/296368956.db2.gz CKEFAQWUELGMOM-LPHOPBHVSA-N 1 3 316.493 2.756 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H]3C[NH2+]CC[C@@H]3C)c2)CC1 ZINC000423022397 296368974 /nfs/dbraw/zinc/36/89/74/296368974.db2.gz FDRUWERELOPLFF-QFBILLFUSA-N 1 3 316.493 2.627 20 0 DFADHO CCC(CC)(CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C(=O)OC ZINC000423039322 296370460 /nfs/dbraw/zinc/37/04/60/296370460.db2.gz QIHZVGKHOUCPEY-ARFHVFGLSA-N 1 3 310.482 2.866 20 0 DFADHO Cn1nc(CC[NH2+][C@H]2C[C@H](N)c3ccccc32)c2ccccc21 ZINC000423048764 296371976 /nfs/dbraw/zinc/37/19/76/296371976.db2.gz IRXXZZTZAVGMFN-WMZOPIPTSA-N 1 3 306.413 2.850 20 0 DFADHO C[C@@H](NC[C@]1(C)CCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423067125 296374401 /nfs/dbraw/zinc/37/44/01/296374401.db2.gz YNKPJQDKDIJFAV-NEWSRXKRSA-N 1 3 301.478 2.771 20 0 DFADHO CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N)Cc1ccccc1 ZINC000423067450 296374585 /nfs/dbraw/zinc/37/45/85/296374585.db2.gz HCXLBZZGDJMHCP-DSLXNQLJSA-N 1 3 304.478 2.843 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1ccc(Br)s1 ZINC000423062706 296373729 /nfs/dbraw/zinc/37/37/29/296373729.db2.gz UTBMWCILFBRROI-NXEZZACHSA-N 1 3 321.284 2.915 20 0 DFADHO CO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)C(F)(F)F ZINC000423073657 296375208 /nfs/dbraw/zinc/37/52/08/296375208.db2.gz ROZYIHWYBUWCLL-IGQOVBAYSA-N 1 3 308.388 2.854 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000423082557 296376315 /nfs/dbraw/zinc/37/63/15/296376315.db2.gz DLBKSICJMHZKHB-CXAGYDPISA-N 1 3 304.482 2.620 20 0 DFADHO CCCOc1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c(C)c1 ZINC000423076153 296375643 /nfs/dbraw/zinc/37/56/43/296375643.db2.gz YGSUWTJQRGZRSL-BMGDILEWSA-N 1 3 306.450 2.626 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000423080606 296375960 /nfs/dbraw/zinc/37/59/60/296375960.db2.gz ZOUQEFWXPLGXJM-KFKAGJAMSA-N 1 3 301.478 2.551 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CCCCN1C1CC1 ZINC000423080606 296375962 /nfs/dbraw/zinc/37/59/62/296375962.db2.gz ZOUQEFWXPLGXJM-KFKAGJAMSA-N 1 3 301.478 2.551 20 0 DFADHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnccc1N ZINC000423086750 296376887 /nfs/dbraw/zinc/37/68/87/296376887.db2.gz NYGKZMXBLKMSQB-DOTOQJQBSA-N 1 3 310.445 2.667 20 0 DFADHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnccc1N ZINC000423086750 296376888 /nfs/dbraw/zinc/37/68/88/296376888.db2.gz NYGKZMXBLKMSQB-DOTOQJQBSA-N 1 3 310.445 2.667 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cnccc1N ZINC000423086750 296376889 /nfs/dbraw/zinc/37/68/89/296376889.db2.gz NYGKZMXBLKMSQB-DOTOQJQBSA-N 1 3 310.445 2.667 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423091317 296377233 /nfs/dbraw/zinc/37/72/33/296377233.db2.gz ZWHQEIFKDRZZSH-VQIMIIECSA-N 1 3 301.478 2.881 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1cccc(OCC(F)(F)F)c1 ZINC000423092105 296377430 /nfs/dbraw/zinc/37/74/30/296377430.db2.gz AOMROMNAWGZKJS-VXGBXAGGSA-N 1 3 304.356 2.886 20 0 DFADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423092105 296377431 /nfs/dbraw/zinc/37/74/31/296377431.db2.gz AOMROMNAWGZKJS-VXGBXAGGSA-N 1 3 304.356 2.886 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1OC ZINC000624119544 399559076 /nfs/dbraw/zinc/55/90/76/399559076.db2.gz DSWHZQHYTZPDTI-RDJZCZTQSA-N 1 3 320.477 2.956 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121454 399560340 /nfs/dbraw/zinc/56/03/40/399560340.db2.gz WUUGTLMBKWRPKT-HUUCEWRRSA-N 1 3 321.440 2.864 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121454 399560344 /nfs/dbraw/zinc/56/03/44/399560344.db2.gz WUUGTLMBKWRPKT-HUUCEWRRSA-N 1 3 321.440 2.864 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121454 399560347 /nfs/dbraw/zinc/56/03/47/399560347.db2.gz WUUGTLMBKWRPKT-HUUCEWRRSA-N 1 3 321.440 2.864 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(Cc2ccccc2CO)CC1 ZINC000347692520 285133388 /nfs/dbraw/zinc/13/33/88/285133388.db2.gz XFAZKOVHTUHWBI-HXUWFJFHSA-N 1 3 316.489 2.918 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC(Cc2ccccc2CO)CC1 ZINC000347692520 285133390 /nfs/dbraw/zinc/13/33/90/285133390.db2.gz XFAZKOVHTUHWBI-HXUWFJFHSA-N 1 3 316.489 2.918 20 0 DFADHO CN1CCCC[C@@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000624121347 399561266 /nfs/dbraw/zinc/56/12/66/399561266.db2.gz UGLFJLPRNGRVLT-HSBZDZAISA-N 1 3 308.388 2.544 20 0 DFADHO COc1cccc(OC(F)(F)F)c1CN[C@H](C)CCC[NH3+] ZINC000423113518 296379957 /nfs/dbraw/zinc/37/99/57/296379957.db2.gz UKXJLCFIGVXFRD-SNVBAGLBSA-N 1 3 306.328 2.811 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(-n2cncn2)cc1 ZINC000624120367 399560433 /nfs/dbraw/zinc/56/04/33/399560433.db2.gz XJSQJNSLRLFLSY-HZPDHXFCSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@H](N[C@H]1c2ccccc2CC12CCOCC2)[C@H]1CC[NH2+]C1 ZINC000423124791 296381461 /nfs/dbraw/zinc/38/14/61/296381461.db2.gz PCYHPKJOTNBJJK-ZVZYQTTQSA-N 1 3 300.446 2.668 20 0 DFADHO CC(C)Oc1ccc([C@@H](CN[C@@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000423122542 296381168 /nfs/dbraw/zinc/38/11/68/296381168.db2.gz JUFGUJYIRLHEBJ-RLFYNMQTSA-N 1 3 307.482 2.792 20 0 DFADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423128573 296381786 /nfs/dbraw/zinc/38/17/86/296381786.db2.gz LCFRSDXXZCVPDS-XFUTXVRSSA-N 1 3 318.436 2.818 20 0 DFADHO C=Cc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423131567 296382406 /nfs/dbraw/zinc/38/24/06/296382406.db2.gz APJYTXHXXFHCIV-IPMKNSEASA-N 1 3 300.446 2.619 20 0 DFADHO Cc1cc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000423141102 296383903 /nfs/dbraw/zinc/38/39/03/296383903.db2.gz NXYSYCIRQYILRT-RYQLBKOJSA-N 1 3 322.880 2.938 20 0 DFADHO Cc1cccc2c1OC[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423141391 296383745 /nfs/dbraw/zinc/38/37/45/296383745.db2.gz PQPZPZFLKUVYCQ-BRSBDYLESA-N 1 3 300.446 2.809 20 0 DFADHO CSc1ccc([C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000423144011 296384442 /nfs/dbraw/zinc/38/44/42/296384442.db2.gz FXCGRYHEYWIXPB-OIISXLGYSA-N 1 3 307.507 2.728 20 0 DFADHO c1ccc2c(c1)SC[C@@H]2CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423147130 296385008 /nfs/dbraw/zinc/38/50/08/296385008.db2.gz RCLBCNPGGMIPEP-PQEBFOHHSA-N 1 3 318.486 2.623 20 0 DFADHO FC1(F)CCCC[C@@H]1CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423147827 296385126 /nfs/dbraw/zinc/38/51/26/296385126.db2.gz SWACNIJVSGHFQN-APIJFGDWSA-N 1 3 302.409 2.559 20 0 DFADHO Cc1nc(CNC2CCC(C[NH3+])CC2)sc1Br ZINC000423157663 296386196 /nfs/dbraw/zinc/38/61/96/296386196.db2.gz MWDYMHQSIAWHKW-UHFFFAOYSA-N 1 3 318.284 2.821 20 0 DFADHO CCO[C@@H]1CCC[C@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423160789 296386488 /nfs/dbraw/zinc/38/64/88/296386488.db2.gz HWDOYYQUDRIXJD-JFRXWTBNSA-N 1 3 316.445 2.790 20 0 DFADHO C[C@@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000157590872 197199522 /nfs/dbraw/zinc/19/95/22/197199522.db2.gz QEABYMIPAOKDKQ-XHSDSOJGSA-N 1 3 308.466 2.685 20 0 DFADHO COc1ccc2c(c1)[C@@H](NCCC[NH2+]Cc1cccnc1)CC2 ZINC000423190256 296390571 /nfs/dbraw/zinc/39/05/71/296390571.db2.gz QTIDKWBVIXFVEA-IBGZPJMESA-N 1 3 311.429 2.847 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@](C)(O)c1ccccc1Cl ZINC000157559403 197198008 /nfs/dbraw/zinc/19/80/08/197198008.db2.gz LRWJQFVKDUXVDY-KFZJALRRSA-N 1 3 310.869 2.866 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@](C)(O)c1ccccc1Cl ZINC000157559403 197198010 /nfs/dbraw/zinc/19/80/10/197198010.db2.gz LRWJQFVKDUXVDY-KFZJALRRSA-N 1 3 310.869 2.866 20 0 DFADHO Brc1cccc2c1C[C@@H]([NH2+]C[C@@H]1CCCNC1)CC2 ZINC000423215044 296393363 /nfs/dbraw/zinc/39/33/63/296393363.db2.gz QBECDALQNMFRRL-OCCSQVGLSA-N 1 3 323.278 2.896 20 0 DFADHO Brc1cccc2c1C[C@@H](NC[C@@H]1CCC[NH2+]C1)CC2 ZINC000423215044 296393364 /nfs/dbraw/zinc/39/33/64/296393364.db2.gz QBECDALQNMFRRL-OCCSQVGLSA-N 1 3 323.278 2.896 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2CCCNC2)cc1OC ZINC000423215308 296393460 /nfs/dbraw/zinc/39/34/60/296393460.db2.gz QIFNAGJHMKWECH-LSDHHAIUSA-N 1 3 306.450 2.532 20 0 DFADHO COc1cc(C)c(C[C@H](C)NC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423215308 296393461 /nfs/dbraw/zinc/39/34/61/296393461.db2.gz QIFNAGJHMKWECH-LSDHHAIUSA-N 1 3 306.450 2.532 20 0 DFADHO CCN(C#N)CC[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000602812581 399586594 /nfs/dbraw/zinc/58/65/94/399586594.db2.gz TXVMLZXUKDLKBH-IRXDYDNUSA-N 1 3 314.477 2.536 20 0 DFADHO C[C@H](Cc1ccc(F)cc1Br)NCC[C@H](C)[NH3+] ZINC000423227145 296394669 /nfs/dbraw/zinc/39/46/69/296394669.db2.gz UPUBYHAZWUMZDK-VHSXEESVSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC[C@H](C)N ZINC000423227145 296394671 /nfs/dbraw/zinc/39/46/71/296394671.db2.gz UPUBYHAZWUMZDK-VHSXEESVSA-N 1 3 303.219 2.846 20 0 DFADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423263633 296398340 /nfs/dbraw/zinc/39/83/40/296398340.db2.gz BFPMOGRACOEBKA-MOPGFXCFSA-N 1 3 313.445 2.947 20 0 DFADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1ncc(Br)s1 ZINC000423260960 296397927 /nfs/dbraw/zinc/39/79/27/296397927.db2.gz QYUXHJPWRQRGGL-ZJUUUORDSA-N 1 3 318.284 2.946 20 0 DFADHO COc1ccc([C@@H](C)[NH2+][C@H](CN)CC(C)C)cc1NC(C)=O ZINC000423261152 296397991 /nfs/dbraw/zinc/39/79/91/296397991.db2.gz JGIBFBDUNADZNF-DOMZBBRYSA-N 1 3 307.438 2.678 20 0 DFADHO CC(C)(C)[C@@H]1CCC[C@H](NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000629405747 399594919 /nfs/dbraw/zinc/59/49/19/399594919.db2.gz MJFZFROSVPOWET-HLLBOEOZSA-N 1 3 319.497 2.897 20 0 DFADHO C[C@H](NCC1(C)CC[NH2+]CC1)c1ncc(Br)s1 ZINC000423316335 296403379 /nfs/dbraw/zinc/40/33/79/296403379.db2.gz AMDZDVQMGGGQCI-VIFPVBQESA-N 1 3 318.284 2.946 20 0 DFADHO C[C@@H](CC[NH2+][C@@H](C)c1cnn(C)c1)N(C)Cc1ccccc1 ZINC000156210142 197095538 /nfs/dbraw/zinc/09/55/38/197095538.db2.gz HRMFRTPEYOFNQD-HOTGVXAUSA-N 1 3 300.450 2.981 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cnc3ccnn3c2)C1 ZINC000624213758 399600321 /nfs/dbraw/zinc/60/03/21/399600321.db2.gz CIYVNBPUZHELSU-HOTGVXAUSA-N 1 3 315.465 2.577 20 0 DFADHO Brc1ccccc1C[C@@H](NC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000423330773 296405152 /nfs/dbraw/zinc/40/51/52/296405152.db2.gz GGUPFVQOKODLRY-MLGOLLRUSA-N 1 3 323.278 2.969 20 0 DFADHO Fc1ccc(N2CCC(NCC[C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000423371194 296409919 /nfs/dbraw/zinc/40/99/19/296409919.db2.gz UUIMHNOTHZBEHN-CQSZACIVSA-N 1 3 309.404 2.665 20 0 DFADHO COc1cc2nccc(N3CC[C@@H](C[NH+](C)C)C3)c2cc1OC ZINC000298856607 533178979 /nfs/dbraw/zinc/17/89/79/533178979.db2.gz JGCCBLOJMXXDDZ-ZDUSSCGKSA-N 1 3 315.417 2.640 20 0 DFADHO CC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423395403 296411976 /nfs/dbraw/zinc/41/19/76/296411976.db2.gz SNQWKDLQKOKECW-CABCVRRESA-N 1 3 315.383 2.563 20 0 DFADHO CC(C)N1CCN(CCC[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)CC1 ZINC000625653468 399606923 /nfs/dbraw/zinc/60/69/23/399606923.db2.gz KPBLGWFJEKMRES-HZPDHXFCSA-N 1 3 317.468 2.626 20 0 DFADHO Cc1ccsc1[C@@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423400738 296412712 /nfs/dbraw/zinc/41/27/12/296412712.db2.gz XCQRYNASQZIVOT-NEPJUHHUSA-N 1 3 321.412 2.543 20 0 DFADHO COC(=O)c1csc([C@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000423445350 296417345 /nfs/dbraw/zinc/41/73/45/296417345.db2.gz RUSYICCBSVFTEA-LEWSCRJBSA-N 1 3 308.447 2.573 20 0 DFADHO Cc1c([C@@H](C)N[C@@H](C)CCCC[NH3+])nnn1-c1ccc(F)cc1 ZINC000423439445 296416738 /nfs/dbraw/zinc/41/67/38/296416738.db2.gz SHDPFASPYJTQDO-QWHCGFSZSA-N 1 3 319.428 2.883 20 0 DFADHO CC1(C)CCCN[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000423438810 296416828 /nfs/dbraw/zinc/41/68/28/296416828.db2.gz NLFMAYJTXQQLQN-QGZVFWFLSA-N 1 3 321.509 2.678 20 0 DFADHO Cc1nccn1CCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000347931210 285252854 /nfs/dbraw/zinc/25/28/54/285252854.db2.gz KUTANTXPSWQTRB-NVXWUHKLSA-N 1 3 304.482 2.824 20 0 DFADHO C[C@@H](NCCC(=O)N1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347940095 285258657 /nfs/dbraw/zinc/25/86/57/285258657.db2.gz XENLFRSMQURWND-IAGOWNOFSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H](NCCC(=O)N1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347940095 285258659 /nfs/dbraw/zinc/25/86/59/285258659.db2.gz XENLFRSMQURWND-IAGOWNOFSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000347940095 285258661 /nfs/dbraw/zinc/25/86/61/285258661.db2.gz XENLFRSMQURWND-IAGOWNOFSA-N 1 3 321.509 2.632 20 0 DFADHO Cc1c([C@H](C)N[C@@H]2CC[C@H](C[NH3+])C2)nnn1-c1ccc(C)cc1 ZINC000423486323 296420834 /nfs/dbraw/zinc/42/08/34/296420834.db2.gz BUGDYNOZKUSXRU-CWRNSKLLSA-N 1 3 313.449 2.662 20 0 DFADHO Fc1ccc(N2CCC([NH2+]CCCNC3CC3)CC2)c(F)c1 ZINC000423531667 296426998 /nfs/dbraw/zinc/42/69/98/296426998.db2.gz TUEUEVWYXFYZAA-UHFFFAOYSA-N 1 3 309.404 2.665 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H](CN2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000120801082 195240794 /nfs/dbraw/zinc/24/07/94/195240794.db2.gz UIOLLRAPUQZPBS-NEWSRXKRSA-N 1 3 301.478 2.896 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H](CN2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000120801082 195240795 /nfs/dbraw/zinc/24/07/95/195240795.db2.gz UIOLLRAPUQZPBS-NEWSRXKRSA-N 1 3 301.478 2.896 20 0 DFADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000289486882 221012624 /nfs/dbraw/zinc/01/26/24/221012624.db2.gz YOHSEAMOXSNWAF-OLMNPRSZSA-N 1 3 323.431 2.784 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC(C)(C)CCC2(C)C)CC1 ZINC000625723454 399623240 /nfs/dbraw/zinc/62/32/40/399623240.db2.gz OZKXTUFOIRIRMF-UHFFFAOYSA-N 1 3 323.525 2.876 20 0 DFADHO Cc1cc(C)cc(C[NH+]2CCC(CN3CCN(C)CC3)CC2)c1 ZINC000289523899 221038497 /nfs/dbraw/zinc/03/84/97/221038497.db2.gz VQHPUEBZJIJKTA-UHFFFAOYSA-N 1 3 315.505 2.763 20 0 DFADHO CC[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)cc2)C[C@H](C)N1 ZINC000620898188 399625829 /nfs/dbraw/zinc/62/58/29/399625829.db2.gz REHQAPBBKFXTMH-MAUKXSAKSA-N 1 3 317.477 2.741 20 0 DFADHO COc1cc(C[N@H+](C)C[C@@H]2CCN(C)C2)ccc1OC(C)C ZINC000120925565 195264847 /nfs/dbraw/zinc/26/48/47/195264847.db2.gz WUSGHFFYFCMGPL-MRXNPFEDSA-N 1 3 306.450 2.866 20 0 DFADHO COc1cc(C[N@@H+](C)C[C@@H]2CCN(C)C2)ccc1OC(C)C ZINC000120925565 195264850 /nfs/dbraw/zinc/26/48/50/195264850.db2.gz WUSGHFFYFCMGPL-MRXNPFEDSA-N 1 3 306.450 2.866 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cc3ccccc3[nH]c1=O)C2 ZINC000289602839 221097223 /nfs/dbraw/zinc/09/72/23/221097223.db2.gz KXSHVIMYEHBHLY-SJPCQFCGSA-N 1 3 311.429 2.997 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cc3ccccc3[nH]c1=O)C2 ZINC000289602839 221097226 /nfs/dbraw/zinc/09/72/26/221097226.db2.gz KXSHVIMYEHBHLY-SJPCQFCGSA-N 1 3 311.429 2.997 20 0 DFADHO CSC1(C[NH2+]Cc2ccccc2CN2CCC(O)CC2)CC1 ZINC000348035291 285308620 /nfs/dbraw/zinc/30/86/20/285308620.db2.gz DRGITKCAIUWULF-UHFFFAOYSA-N 1 3 320.502 2.629 20 0 DFADHO COc1cc([C@@H](C)[NH2+]CC2(N)CCOCC2)ccc1SC ZINC000629520327 399633857 /nfs/dbraw/zinc/63/38/57/399633857.db2.gz GKJGCDFZDYLCKS-GFCCVEGCSA-N 1 3 310.463 2.576 20 0 DFADHO CC(C)[C@@H](CSc1ccccc1)NCC1([NH3+])CCOCC1 ZINC000629523700 399635544 /nfs/dbraw/zinc/63/55/44/399635544.db2.gz IDHUXEIKNJTBAJ-MRXNPFEDSA-N 1 3 308.491 2.901 20 0 DFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(Cl)cs1 ZINC000289960764 221344969 /nfs/dbraw/zinc/34/49/69/221344969.db2.gz YKZRQLOONXWTCJ-UHFFFAOYSA-N 1 3 315.914 2.859 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(Br)nc1 ZINC000289991333 221366029 /nfs/dbraw/zinc/36/60/29/221366029.db2.gz YIRSDKJIAOGKJA-WDEREUQCSA-N 1 3 300.244 2.835 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(Br)nc1 ZINC000289974210 221354173 /nfs/dbraw/zinc/35/41/73/221354173.db2.gz XNHLZRBUVQGASI-RYUDHWBXSA-N 1 3 324.266 2.979 20 0 DFADHO CC(C)c1cccc2c1OCCC[C@H]2NCCOCCC[NH3+] ZINC000629535013 399639187 /nfs/dbraw/zinc/63/91/87/399639187.db2.gz CDZPKQRYIJCSCV-QGZVFWFLSA-N 1 3 306.450 2.979 20 0 DFADHO CC[C@@H](NCCOCCC[NH3+])c1cccc(Br)c1 ZINC000629535110 399639214 /nfs/dbraw/zinc/63/92/14/399639214.db2.gz CQZYSCSTJKNDET-CQSZACIVSA-N 1 3 315.255 2.855 20 0 DFADHO Cc1cc(Cl)cc2c1OCCC[C@H]2NCCOCCC[NH3+] ZINC000629539157 399640590 /nfs/dbraw/zinc/64/05/90/399640590.db2.gz OLSDKFNKWJMQCR-OAHLLOKOSA-N 1 3 312.841 2.817 20 0 DFADHO [NH3+]CCCOCCN[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000629541964 399641974 /nfs/dbraw/zinc/64/19/74/399641974.db2.gz VDDNWQONUSZRST-ZDUSSCGKSA-N 1 3 303.233 2.936 20 0 DFADHO CC(C)Oc1ccc(CN(C)CCOCC[NH3+])cc1Cl ZINC000629581136 399653486 /nfs/dbraw/zinc/65/34/86/399653486.db2.gz OFYBCEVFMZFZEE-UHFFFAOYSA-N 1 3 300.830 2.534 20 0 DFADHO CCc1ccc(C2CC[NH+](C[C@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000629584092 399656050 /nfs/dbraw/zinc/65/60/50/399656050.db2.gz NWVRQSUGMQAEIY-LJQANCHMSA-N 1 3 314.473 2.949 20 0 DFADHO CC(C)(C)c1ncc2c(n1)CCN(CCCC1CC[NH2+]CC1)C2 ZINC000629545489 399643097 /nfs/dbraw/zinc/64/30/97/399643097.db2.gz BUKOUSJYWJYYDK-UHFFFAOYSA-N 1 3 316.493 2.912 20 0 DFADHO CC(C)C[C@@H]1CCC[C@H](NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000629551870 399645204 /nfs/dbraw/zinc/64/52/04/399645204.db2.gz YCYHWABAVBTBDA-YQQAZPJKSA-N 1 3 305.470 2.507 20 0 DFADHO C[C@H](NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H](C)C1CCCCC1 ZINC000629554039 399646581 /nfs/dbraw/zinc/64/65/81/399646581.db2.gz YSIVNTICZZDXGL-KEYYUXOJSA-N 1 3 305.470 2.507 20 0 DFADHO COc1cc(-c2ccccc2)ccc1CNCCOCCC[NH3+] ZINC000629677916 399686820 /nfs/dbraw/zinc/68/68/20/399686820.db2.gz ITOOPOAELNURCD-UHFFFAOYSA-N 1 3 314.429 2.817 20 0 DFADHO CN(C)CCOc1cccc(-c2ccc(OCC[NH3+])cc2)c1 ZINC000629700602 399693957 /nfs/dbraw/zinc/69/39/57/399693957.db2.gz MEJYXSHFMBHNAL-UHFFFAOYSA-N 1 3 300.402 2.632 20 0 DFADHO CN(C)Cc1ccc(F)c(-c2nc3c(s2)C[C@@H]([NH3+])CC3)c1 ZINC000629736116 399707449 /nfs/dbraw/zinc/70/74/49/399707449.db2.gz CGDKZBFNDJZRJF-NSHDSACASA-N 1 3 305.422 2.827 20 0 DFADHO CCCN1CCC([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000088670594 542528832 /nfs/dbraw/zinc/52/88/32/542528832.db2.gz SOIDRABGOANWHZ-PXNSSMCTSA-N 1 3 315.505 2.971 20 0 DFADHO CC[C@H]1CC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000348110520 285355714 /nfs/dbraw/zinc/35/57/14/285355714.db2.gz NDWIOEZDDNZXHO-HNAYVOBHSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@H](NCC1CC[NH+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000126352751 195831832 /nfs/dbraw/zinc/83/18/32/195831832.db2.gz UMXDRQGFDXIVMF-INIZCTEOSA-N 1 3 312.461 2.924 20 0 DFADHO C[C@@H](Cc1ccoc1)[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000449091362 297403834 /nfs/dbraw/zinc/40/38/34/297403834.db2.gz QBIWNVAEIMMNHI-HNNXBMFYSA-N 1 3 302.418 2.941 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCc2c1cc(F)cc2F ZINC000121528715 542585396 /nfs/dbraw/zinc/58/53/96/542585396.db2.gz DLHFASCDZJPJHB-SUMWQHHRSA-N 1 3 312.404 2.899 20 0 DFADHO CN(CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CCC1 ZINC000629949205 399764183 /nfs/dbraw/zinc/76/41/83/399764183.db2.gz XECPWVPDZDNQDZ-UHFFFAOYSA-N 1 3 321.509 2.585 20 0 DFADHO CN(CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCC1 ZINC000629958931 399768611 /nfs/dbraw/zinc/76/86/11/399768611.db2.gz XSHCILDECUCPAO-KRWDZBQOSA-N 1 3 321.509 2.585 20 0 DFADHO CCC[NH+]1CCC(NC[C@H](C)Oc2ccc(OC)cc2)CC1 ZINC000128975471 542621594 /nfs/dbraw/zinc/62/15/94/542621594.db2.gz ZBGJWSBIJYCMHB-HNNXBMFYSA-N 1 3 306.450 2.927 20 0 DFADHO CSc1ccc(CNCC2(SC)CC[NH+](C)CC2)o1 ZINC000603430265 399774471 /nfs/dbraw/zinc/77/44/71/399774471.db2.gz ZBKVFXNHATWFTH-UHFFFAOYSA-N 1 3 300.493 2.919 20 0 DFADHO C[C@@H](CN1CCC(CC[NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000492611360 299624498 /nfs/dbraw/zinc/62/44/98/299624498.db2.gz VOWAXPUSXASRKD-AWEZNQCLSA-N 1 3 313.486 2.563 20 0 DFADHO Fc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CC2 ZINC000132999240 542645047 /nfs/dbraw/zinc/64/50/47/542645047.db2.gz KMTSRQKNBHXAOL-KUHUBIRLSA-N 1 3 318.436 2.904 20 0 DFADHO CC(C)(C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)CN1CCCC1 ZINC000348273676 285465837 /nfs/dbraw/zinc/46/58/37/285465837.db2.gz AUANRQANXAMCNA-STQMWFEESA-N 1 3 308.388 2.808 20 0 DFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)CN(C)C1CCC1)[NH+](C)C ZINC000629990564 399784612 /nfs/dbraw/zinc/78/46/12/399784612.db2.gz CTGCDPNDJIQARQ-BEFAXECRSA-N 1 3 317.477 2.587 20 0 DFADHO [NH3+]C1(CC(=O)Nc2cccc(CN3CCCCC3)c2)CCC1 ZINC000165137710 542748893 /nfs/dbraw/zinc/74/88/93/542748893.db2.gz KRJVEOAFQSAUHA-UHFFFAOYSA-N 1 3 301.434 2.883 20 0 DFADHO c1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166141095 542750650 /nfs/dbraw/zinc/75/06/50/542750650.db2.gz OLPATJPZOGZTAC-RBUKOAKNSA-N 1 3 314.473 2.951 20 0 DFADHO c1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166141095 542750653 /nfs/dbraw/zinc/75/06/53/542750653.db2.gz OLPATJPZOGZTAC-RBUKOAKNSA-N 1 3 314.473 2.951 20 0 DFADHO CCN(CC)[C@H](CNC(=O)CC1([NH3+])CCC1)c1ccsc1 ZINC000164905490 542747614 /nfs/dbraw/zinc/74/76/14/542747614.db2.gz NDOLQHZODDVSLK-CQSZACIVSA-N 1 3 309.479 2.519 20 0 DFADHO [NH3+][C@H](CCC(=O)NCCN1CCCCC1)CC1CCCCC1 ZINC000424135470 296486780 /nfs/dbraw/zinc/48/67/80/296486780.db2.gz MKTGAFKWQRQEJH-QGZVFWFLSA-N 1 3 309.498 2.666 20 0 DFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)[C@@H]1CCCC[C@H]1O ZINC000271288540 542965412 /nfs/dbraw/zinc/96/54/12/542965412.db2.gz BPCHJFNVCBMWFT-RTBURBONSA-N 1 3 317.477 2.923 20 0 DFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)[C@@H]1CCCC[C@H]1O ZINC000271288540 542965417 /nfs/dbraw/zinc/96/54/17/542965417.db2.gz BPCHJFNVCBMWFT-RTBURBONSA-N 1 3 317.477 2.923 20 0 DFADHO C[C@H]1C[N@H+](CCCN[C@@H]2CCc3ccc(F)cc32)CCCO1 ZINC000278444789 542982355 /nfs/dbraw/zinc/98/23/55/542982355.db2.gz HUYOHVUEWMIQKR-KBXCAEBGSA-N 1 3 306.425 2.904 20 0 DFADHO C[C@H]1C[N@@H+](CCCN[C@@H]2CCc3ccc(F)cc32)CCCO1 ZINC000278444789 542982358 /nfs/dbraw/zinc/98/23/58/542982358.db2.gz HUYOHVUEWMIQKR-KBXCAEBGSA-N 1 3 306.425 2.904 20 0 DFADHO O[C@@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)CN1CCCC1 ZINC000289333061 543006796 /nfs/dbraw/zinc/00/67/96/543006796.db2.gz VWPIAPFMTFFEKP-KSSFIOAISA-N 1 3 313.445 2.592 20 0 DFADHO OC1CC[NH+](CCCNCc2ccc(C3CCC3)cc2)CC1 ZINC000293477169 543020285 /nfs/dbraw/zinc/02/02/85/543020285.db2.gz FMUFJTSRFUOYKT-UHFFFAOYSA-N 1 3 302.462 2.891 20 0 DFADHO OC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCCC1 ZINC000305881536 543063854 /nfs/dbraw/zinc/06/38/54/543063854.db2.gz VHBHUKFDBPXINI-GUDVDZBRSA-N 1 3 314.473 2.792 20 0 DFADHO CCCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000328264100 543095840 /nfs/dbraw/zinc/09/58/40/543095840.db2.gz NUVIVHHSGYSDOX-IHPCNDPISA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H]1C[C@@H](CCNCc2cncnc2)C[N@@H+]1Cc1ccccc1 ZINC000338195238 543135142 /nfs/dbraw/zinc/13/51/42/543135142.db2.gz MFKCAAFZUMESKZ-FUHWJXTLSA-N 1 3 310.445 2.867 20 0 DFADHO C[C@H]1C[C@@H](CCNCc2cncnc2)C[N@H+]1Cc1ccccc1 ZINC000338195238 543135144 /nfs/dbraw/zinc/13/51/44/543135144.db2.gz MFKCAAFZUMESKZ-FUHWJXTLSA-N 1 3 310.445 2.867 20 0 DFADHO Fc1ccc(N2CC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000339073802 543139673 /nfs/dbraw/zinc/13/96/73/543139673.db2.gz FHLCNCKSJPJQCC-SUMDDJOVSA-N 1 3 317.452 2.868 20 0 DFADHO Fc1ccc(N2CC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000339073802 543139675 /nfs/dbraw/zinc/13/96/75/543139675.db2.gz FHLCNCKSJPJQCC-SUMDDJOVSA-N 1 3 317.452 2.868 20 0 DFADHO Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCN4CCC[C@H]4C3)C2)cc1 ZINC000339073802 543139677 /nfs/dbraw/zinc/13/96/77/543139677.db2.gz FHLCNCKSJPJQCC-SUMDDJOVSA-N 1 3 317.452 2.868 20 0 DFADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348103440 543183364 /nfs/dbraw/zinc/18/33/64/543183364.db2.gz BUPZXPQDHVYTHO-WOJBJXKFSA-N 1 3 314.473 2.922 20 0 DFADHO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000353497490 543235982 /nfs/dbraw/zinc/23/59/82/543235982.db2.gz OTRHKQMCGIYENJ-QZTJIDSGSA-N 1 3 317.477 2.502 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2(N)CCCCC2)C1 ZINC000165126918 145229887 /nfs/dbraw/zinc/22/98/87/145229887.db2.gz PEYQFFBSZBATLK-HOTGVXAUSA-N 1 3 309.498 2.522 20 0 DFADHO CC(C)[C@H](O)CC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000165399835 145231134 /nfs/dbraw/zinc/23/11/34/145231134.db2.gz VSMLWOOKLWWWGN-CRAIPNDOSA-N 1 3 308.466 2.685 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000167795047 145241922 /nfs/dbraw/zinc/24/19/22/145241922.db2.gz NMGHJRZHYMYACZ-RLFYNMQTSA-N 1 3 317.477 2.702 20 0 DFADHO CC[C@H](C)N(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170915559 145256095 /nfs/dbraw/zinc/25/60/95/145256095.db2.gz PMPULUNCFLUGQH-INIZCTEOSA-N 1 3 317.477 2.629 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CCCN(C2CC2)CC1 ZINC000170968113 145256713 /nfs/dbraw/zinc/25/67/13/145256713.db2.gz KTFNXCPCQHGLPR-UHFFFAOYSA-N 1 3 309.498 2.585 20 0 DFADHO C[C@H](C[NH3+])CNCc1ccc(Br)c2cccnc12 ZINC000414880867 543327967 /nfs/dbraw/zinc/32/79/67/543327967.db2.gz RFZONETTXRMPAA-SNVBAGLBSA-N 1 3 308.223 2.682 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000414930176 543328132 /nfs/dbraw/zinc/32/81/32/543328132.db2.gz SPAHTBMKCOAOAT-BPUTZDHNSA-N 1 3 303.450 2.880 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H](N)C2)c1C ZINC000414930176 543328135 /nfs/dbraw/zinc/32/81/35/543328135.db2.gz SPAHTBMKCOAOAT-BPUTZDHNSA-N 1 3 303.450 2.880 20 0 DFADHO C[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)N1CCCCCC1 ZINC000175166348 145401172 /nfs/dbraw/zinc/40/11/72/145401172.db2.gz BNLUGOQQKDJCGY-KRWDZBQOSA-N 1 3 321.509 2.585 20 0 DFADHO CC[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1OC)N(CC)CC ZINC000633373379 399894198 /nfs/dbraw/zinc/89/41/98/399894198.db2.gz JLASCTZXIUQBMJ-MRXNPFEDSA-N 1 3 321.465 2.816 20 0 DFADHO c1ccc2c(c1)nccc2N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000630545818 399901297 /nfs/dbraw/zinc/90/12/97/399901297.db2.gz NMSZXDSRDUNMID-INIZCTEOSA-N 1 3 311.429 2.830 20 0 DFADHO C[C@@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000633943135 399963263 /nfs/dbraw/zinc/96/32/63/399963263.db2.gz CPHZAKVURRZEAO-ZACQAIPSSA-N 1 3 321.509 2.725 20 0 DFADHO Cc1scc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1C ZINC000631074508 399975244 /nfs/dbraw/zinc/97/52/44/399975244.db2.gz FAVVDWBLMXCQAD-HNNXBMFYSA-N 1 3 308.491 2.955 20 0 DFADHO CC[NH+]1CCC(CCNCc2c3c(nn2C)CCCC3)CC1 ZINC000631079117 399976290 /nfs/dbraw/zinc/97/62/90/399976290.db2.gz MDGSXNMBMTVMKM-UHFFFAOYSA-N 1 3 304.482 2.511 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)[C@H](C)O1 ZINC000631195705 400000832 /nfs/dbraw/zinc/00/08/32/400000832.db2.gz ZXMPXWDZNOOJRZ-CTRAYCPCSA-N 1 3 302.462 2.910 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)O1 ZINC000631195705 400000833 /nfs/dbraw/zinc/00/08/33/400000833.db2.gz ZXMPXWDZNOOJRZ-CTRAYCPCSA-N 1 3 302.462 2.910 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)O1 ZINC000631195705 400000834 /nfs/dbraw/zinc/00/08/34/400000834.db2.gz ZXMPXWDZNOOJRZ-CTRAYCPCSA-N 1 3 302.462 2.910 20 0 DFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1ccc(=O)[nH]c1 ZINC000631194927 400000905 /nfs/dbraw/zinc/00/09/05/400000905.db2.gz SEWRAECUKMDJPX-YJBOKZPZSA-N 1 3 311.429 2.645 20 0 DFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1ccc(=O)[nH]c1 ZINC000631194927 400000906 /nfs/dbraw/zinc/00/09/06/400000906.db2.gz SEWRAECUKMDJPX-YJBOKZPZSA-N 1 3 311.429 2.645 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631194927 400000908 /nfs/dbraw/zinc/00/09/08/400000908.db2.gz SEWRAECUKMDJPX-YJBOKZPZSA-N 1 3 311.429 2.645 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CC1=CCCOC1 ZINC000631196062 400001325 /nfs/dbraw/zinc/00/13/25/400001325.db2.gz NKDSKDLNRNAYNV-VQIMIIECSA-N 1 3 300.446 2.691 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCC1=CCCOC1 ZINC000631196062 400001327 /nfs/dbraw/zinc/00/13/27/400001327.db2.gz NKDSKDLNRNAYNV-VQIMIIECSA-N 1 3 300.446 2.691 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCC1=CCCOC1 ZINC000631196062 400001328 /nfs/dbraw/zinc/00/13/28/400001328.db2.gz NKDSKDLNRNAYNV-VQIMIIECSA-N 1 3 300.446 2.691 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000631258872 400013957 /nfs/dbraw/zinc/01/39/57/400013957.db2.gz DIHJJAYGNWGICZ-SLFFLAALSA-N 1 3 313.489 2.786 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000631258872 400013959 /nfs/dbraw/zinc/01/39/59/400013959.db2.gz DIHJJAYGNWGICZ-SLFFLAALSA-N 1 3 313.489 2.786 20 0 DFADHO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000631698886 400068073 /nfs/dbraw/zinc/06/80/73/400068073.db2.gz BOMYWLKALCBCPT-LLDVTBCESA-N 1 3 306.450 2.844 20 0 DFADHO C[C@@H](C1CC[NH+](C)CC1)N1CCN(c2cccc(F)c2)CC1 ZINC000631790165 400075144 /nfs/dbraw/zinc/07/51/44/400075144.db2.gz HVHOEWCSVRUJQT-HNNXBMFYSA-N 1 3 305.441 2.678 20 0 DFADHO C[C@@H]([NH2+]CCOCCN(C)C)C1CCC(C(F)(F)F)CC1 ZINC000433085887 543348394 /nfs/dbraw/zinc/34/83/94/543348394.db2.gz YDIMNAWCMFXDNV-IYXRBSQSSA-N 1 3 310.404 2.911 20 0 DFADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)NCCOCC[NH+](C)C ZINC000219304177 146000173 /nfs/dbraw/zinc/00/01/73/146000173.db2.gz LUEMTEAQIKRIDC-GFCCVEGCSA-N 1 3 313.511 2.978 20 0 DFADHO C[NH+](C)CCOCCNCc1ccc(Cl)c2cccnc12 ZINC000230004501 146012129 /nfs/dbraw/zinc/01/21/29/146012129.db2.gz SXXUPCHAYJBQID-UHFFFAOYSA-N 1 3 307.825 2.556 20 0 DFADHO CCCC[C@@H](N)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000236774304 146027615 /nfs/dbraw/zinc/02/76/15/146027615.db2.gz RAPVNJDYMDGRHP-QGZVFWFLSA-N 1 3 305.466 2.662 20 0 DFADHO CCCC[C@H](N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000236799031 146027648 /nfs/dbraw/zinc/02/76/48/146027648.db2.gz RRXKFJYCNRIYSC-WBVHZDCISA-N 1 3 305.466 2.531 20 0 DFADHO CCCC[C@H](N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236799031 146027652 /nfs/dbraw/zinc/02/76/52/146027652.db2.gz RRXKFJYCNRIYSC-WBVHZDCISA-N 1 3 305.466 2.531 20 0 DFADHO CC[NH+](CC)CCCN[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000236854264 146030514 /nfs/dbraw/zinc/03/05/14/146030514.db2.gz YUMWHAHCRHZPJT-LJQANCHMSA-N 1 3 303.494 2.973 20 0 DFADHO CSCC[C@@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000237281119 146040618 /nfs/dbraw/zinc/04/06/18/146040618.db2.gz MCRSCOKHWNAMID-MRXNPFEDSA-N 1 3 321.490 2.691 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245421072 146068643 /nfs/dbraw/zinc/06/86/43/146068643.db2.gz HUIDGLBZSZIEHC-WMLDXEAASA-N 1 3 304.434 2.635 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245421072 146068646 /nfs/dbraw/zinc/06/86/46/146068646.db2.gz HUIDGLBZSZIEHC-WMLDXEAASA-N 1 3 304.434 2.635 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN([C@H]2CCCCNC2=O)CC1 ZINC000245854434 146105120 /nfs/dbraw/zinc/10/51/20/146105120.db2.gz JTFUWGZYRICGLO-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN([C@H]2CCCCNC2=O)CC1 ZINC000245854434 146105123 /nfs/dbraw/zinc/10/51/23/146105123.db2.gz JTFUWGZYRICGLO-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CCCN(CCC[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000245970091 146112441 /nfs/dbraw/zinc/11/24/41/146112441.db2.gz FNAWGUXOMAYRKV-LJQANCHMSA-N 1 3 301.478 2.755 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000246289656 146136348 /nfs/dbraw/zinc/13/63/48/146136348.db2.gz KSRXYVPEWIMOJJ-WMLDXEAASA-N 1 3 318.465 2.552 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000246289656 146136349 /nfs/dbraw/zinc/13/63/49/146136349.db2.gz KSRXYVPEWIMOJJ-WMLDXEAASA-N 1 3 318.465 2.552 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000247144086 146163498 /nfs/dbraw/zinc/16/34/98/146163498.db2.gz SNZDXKJLJICYNC-CVEARBPZSA-N 1 3 315.461 2.806 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248886129 146174360 /nfs/dbraw/zinc/17/43/60/146174360.db2.gz MCBIZNMAKSZKKG-XCDZQEORSA-N 1 3 314.473 2.931 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248886129 146174363 /nfs/dbraw/zinc/17/43/63/146174363.db2.gz MCBIZNMAKSZKKG-XCDZQEORSA-N 1 3 314.473 2.931 20 0 DFADHO C[C@H](CCC1CC1)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000249003957 146183237 /nfs/dbraw/zinc/18/32/37/146183237.db2.gz NNLAYFFXDGKXME-DNVCBOLYSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@@H](O)C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000249060139 146185576 /nfs/dbraw/zinc/18/55/76/146185576.db2.gz ZRNFHBDEFNISKE-IVKSPPNPSA-N 1 3 302.462 2.756 20 0 DFADHO C[C@@H](O)C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000249060139 146185577 /nfs/dbraw/zinc/18/55/77/146185577.db2.gz ZRNFHBDEFNISKE-IVKSPPNPSA-N 1 3 302.462 2.756 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@H](O)C(F)F ZINC000453272092 543371449 /nfs/dbraw/zinc/37/14/49/543371449.db2.gz RXTTXWHQEKTZFW-QXSJWSMHSA-N 1 3 312.404 2.816 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@H](O)C(F)F ZINC000453272092 543371451 /nfs/dbraw/zinc/37/14/51/543371451.db2.gz RXTTXWHQEKTZFW-QXSJWSMHSA-N 1 3 312.404 2.816 20 0 DFADHO C(CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1)C[NH+]1CCCCC1 ZINC000249348523 146194042 /nfs/dbraw/zinc/19/40/42/146194042.db2.gz KBXLNPIXIHCMAY-HKUYNNGSSA-N 1 3 305.510 2.811 20 0 DFADHO C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000249749638 146205745 /nfs/dbraw/zinc/20/57/45/146205745.db2.gz QBPHECZQDSFGSZ-NCOADZHNSA-N 1 3 309.498 2.628 20 0 DFADHO C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000249749638 146205748 /nfs/dbraw/zinc/20/57/48/146205748.db2.gz QBPHECZQDSFGSZ-NCOADZHNSA-N 1 3 309.498 2.628 20 0 DFADHO Cc1[nH]nc2ncc(CN3CCC(CCC[NH+](C)C)CC3)cc12 ZINC000354116603 146910322 /nfs/dbraw/zinc/91/03/22/146910322.db2.gz NNCMFNVBEGUVOB-UHFFFAOYSA-N 1 3 315.465 2.820 20 0 DFADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000261555150 146239762 /nfs/dbraw/zinc/23/97/62/146239762.db2.gz UUDHVEJSSMBFKT-AHRSYUTCSA-N 1 3 307.441 2.995 20 0 DFADHO CCN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261556875 146240488 /nfs/dbraw/zinc/24/04/88/146240488.db2.gz WKXSYEJVGDTXQD-RTBURBONSA-N 1 3 301.478 2.582 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261557893 146240885 /nfs/dbraw/zinc/24/08/85/146240885.db2.gz XUNGPLRXHAOUDC-IPMKNSEASA-N 1 3 301.478 2.758 20 0 DFADHO CCN(C[C@]1(C)CC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261909160 146300501 /nfs/dbraw/zinc/30/05/01/146300501.db2.gz XTBROZYCHWGAMW-RBUKOAKNSA-N 1 3 301.478 2.582 20 0 DFADHO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261929637 146303996 /nfs/dbraw/zinc/30/39/96/146303996.db2.gz LKJRHZVGGIBABO-SJORKVTESA-N 1 3 312.461 2.809 20 0 DFADHO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000261929637 146303999 /nfs/dbraw/zinc/30/39/99/146303999.db2.gz LKJRHZVGGIBABO-SJORKVTESA-N 1 3 312.461 2.809 20 0 DFADHO Cc1nc2ccccc2n1C[C@@H]1CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000261929637 146304003 /nfs/dbraw/zinc/30/40/03/146304003.db2.gz LKJRHZVGGIBABO-SJORKVTESA-N 1 3 312.461 2.809 20 0 DFADHO C[C@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccccc1Cl ZINC000261980821 146316014 /nfs/dbraw/zinc/31/60/14/146316014.db2.gz RHFQXEITOGOAOB-UONOGXRCSA-N 1 3 323.868 2.578 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000262692967 146383047 /nfs/dbraw/zinc/38/30/47/146383047.db2.gz ARIJIOGJNXNOGU-MAUKXSAKSA-N 1 3 303.450 2.903 20 0 DFADHO CCC[C@](C)([NH3+])C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000262703674 146383343 /nfs/dbraw/zinc/38/33/43/146383343.db2.gz KOSNFTUGWHRSKD-ZBFHGGJFSA-N 1 3 311.495 2.765 20 0 DFADHO CCC[C@](C)(N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000262707268 146383971 /nfs/dbraw/zinc/38/39/71/146383971.db2.gz NGTBLBNNKVYGAA-BEFAXECRSA-N 1 3 317.477 2.846 20 0 DFADHO C[C@](CO)(CNC1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000514982084 543422342 /nfs/dbraw/zinc/42/23/42/543422342.db2.gz HTKBVGGZLSVGCG-HXUWFJFHSA-N 1 3 316.489 2.692 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](CCCN(CC)CC(F)(F)F)C1 ZINC000354858158 147179675 /nfs/dbraw/zinc/17/96/75/147179675.db2.gz NWQZCAAJNQFKGQ-AWEZNQCLSA-N 1 3 309.420 2.534 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](CCCN(CC)CC(F)(F)F)C1 ZINC000354858158 147179676 /nfs/dbraw/zinc/17/96/76/147179676.db2.gz NWQZCAAJNQFKGQ-AWEZNQCLSA-N 1 3 309.420 2.534 20 0 DFADHO COC1CC[NH+](C2(CNc3ccnc(C)c3)CCCC2)CC1 ZINC000357691103 148086257 /nfs/dbraw/zinc/08/62/57/148086257.db2.gz QBBGHYBFSBDITN-UHFFFAOYSA-N 1 3 303.450 2.647 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nc(C)oc2C)[C@H](C)C1 ZINC000357780488 148119171 /nfs/dbraw/zinc/11/91/71/148119171.db2.gz WJPWMTQJDJQLPW-PBHICJAKSA-N 1 3 323.481 2.561 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCc2nc(C)oc2C)[C@H](C)C1 ZINC000357780488 148119176 /nfs/dbraw/zinc/11/91/76/148119176.db2.gz WJPWMTQJDJQLPW-PBHICJAKSA-N 1 3 323.481 2.561 20 0 DFADHO COC[C@@H](Cc1ccccc1)NCC(C)(C)C[NH+]1CCCC1 ZINC000357856708 148152560 /nfs/dbraw/zinc/15/25/60/148152560.db2.gz SXXJVCLMWGVPDP-GOSISDBHSA-N 1 3 304.478 2.956 20 0 DFADHO COC[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357856708 148152565 /nfs/dbraw/zinc/15/25/65/148152565.db2.gz SXXJVCLMWGVPDP-GOSISDBHSA-N 1 3 304.478 2.956 20 0 DFADHO C(Cc1nc2c(s1)CCCC2)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358151091 148261405 /nfs/dbraw/zinc/26/14/05/148261405.db2.gz BZUQSCBQZIAZOJ-KGLIPLIRSA-N 1 3 305.491 2.781 20 0 DFADHO C(Cc1nc2c(s1)CCCC2)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358151091 148261409 /nfs/dbraw/zinc/26/14/09/148261409.db2.gz BZUQSCBQZIAZOJ-KGLIPLIRSA-N 1 3 305.491 2.781 20 0 DFADHO CC[NH+](CC)CCOCCNCc1cc(F)cc2cccnc21 ZINC000350269214 286023400 /nfs/dbraw/zinc/02/34/00/286023400.db2.gz RFVXVDLOVOLXKL-UHFFFAOYSA-N 1 3 319.424 2.822 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(CCOc2cccc(F)c2)C1 ZINC000350285459 286024377 /nfs/dbraw/zinc/02/43/77/286024377.db2.gz IBANQAKANGBPDE-SFHVURJKSA-N 1 3 324.440 2.637 20 0 DFADHO Cc1noc(C)c1[C@@H](C)CNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425895406 296603387 /nfs/dbraw/zinc/60/33/87/296603387.db2.gz IJEQJJOZPWAQMU-NSHDSACASA-N 1 3 318.421 2.640 20 0 DFADHO CC[NH+](CC)CCOCCNCc1cc(F)c(F)c(F)c1 ZINC000350316775 286028080 /nfs/dbraw/zinc/02/80/80/286028080.db2.gz LTMJKOTWQYFHOU-UHFFFAOYSA-N 1 3 304.356 2.552 20 0 DFADHO C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358503807 148380444 /nfs/dbraw/zinc/38/04/44/148380444.db2.gz FQHOLWUPPYTVJH-ZDUSSCGKSA-N 1 3 321.852 2.743 20 0 DFADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358516026 148382169 /nfs/dbraw/zinc/38/21/69/148382169.db2.gz NUURFBWOJGPFQL-CQSZACIVSA-N 1 3 312.417 2.873 20 0 DFADHO Cc1ccsc1C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000350451837 286043730 /nfs/dbraw/zinc/04/37/30/286043730.db2.gz CTVYSGFBSMEPBU-UHFFFAOYSA-N 1 3 321.534 2.906 20 0 DFADHO CC[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)N(CC)CC ZINC000361195001 149051689 /nfs/dbraw/zinc/05/16/89/149051689.db2.gz FJXXLIDAGQYILB-KRWDZBQOSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H](CCc1ccsc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000361239701 149063302 /nfs/dbraw/zinc/06/33/02/149063302.db2.gz XGDNTTDKQPUJEN-MRXNPFEDSA-N 1 3 309.523 2.686 20 0 DFADHO C[C@@H](CCc1ccsc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000361239700 149063528 /nfs/dbraw/zinc/06/35/28/149063528.db2.gz XGDNTTDKQPUJEN-INIZCTEOSA-N 1 3 309.523 2.686 20 0 DFADHO Cc1ccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000361345542 149091875 /nfs/dbraw/zinc/09/18/75/149091875.db2.gz JCZFOHPWOHXTEX-INIZCTEOSA-N 1 3 317.477 2.588 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361596586 149163134 /nfs/dbraw/zinc/16/31/34/149163134.db2.gz UCLPKOITFKYKCG-VQTJNVASSA-N 1 3 316.489 2.788 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361596586 149163137 /nfs/dbraw/zinc/16/31/37/149163137.db2.gz UCLPKOITFKYKCG-VQTJNVASSA-N 1 3 316.489 2.788 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361596586 149163139 /nfs/dbraw/zinc/16/31/39/149163139.db2.gz UCLPKOITFKYKCG-VQTJNVASSA-N 1 3 316.489 2.788 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361596586 149163142 /nfs/dbraw/zinc/16/31/42/149163142.db2.gz UCLPKOITFKYKCG-VQTJNVASSA-N 1 3 316.489 2.788 20 0 DFADHO CC[NH+]1CCC(n2nccc2NC(=O)C(C)C(F)(F)F)CC1 ZINC000361654773 149181484 /nfs/dbraw/zinc/18/14/84/149181484.db2.gz JZWAHAQAJULUKT-SNVBAGLBSA-N 1 3 318.343 2.677 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1cc(N(C)C)nc2ccccc12 ZINC000361806475 149225927 /nfs/dbraw/zinc/22/59/27/149225927.db2.gz IROBPROVBZZVTM-WMLDXEAASA-N 1 3 312.461 2.731 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cc(N(C)C)nc2ccccc12 ZINC000361806475 149225929 /nfs/dbraw/zinc/22/59/29/149225929.db2.gz IROBPROVBZZVTM-WMLDXEAASA-N 1 3 312.461 2.731 20 0 DFADHO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccnc(OCCN(C)C)c2)C1 ZINC000350834636 286094222 /nfs/dbraw/zinc/09/42/22/286094222.db2.gz RLIIAHRJXQPLMD-JKSUJKDBSA-N 1 3 305.466 2.938 20 0 DFADHO Cc1nn(C(C)C)cc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000361887201 149246944 /nfs/dbraw/zinc/24/69/44/149246944.db2.gz CUKNFTYJIMMOEH-HOTGVXAUSA-N 1 3 322.497 2.751 20 0 DFADHO C[C@@H](C(=O)NCCC1=CCCCC1)N1CCC(C[NH+](C)C)CC1 ZINC000350948934 286101571 /nfs/dbraw/zinc/10/15/71/286101571.db2.gz JJKWAACHUBCYCY-INIZCTEOSA-N 1 3 321.509 2.655 20 0 DFADHO C[C@H](C(=O)NCCC1=CCCCC1)N1CCC(C[NH+](C)C)CC1 ZINC000350948937 286101554 /nfs/dbraw/zinc/10/15/54/286101554.db2.gz JJKWAACHUBCYCY-MRXNPFEDSA-N 1 3 321.509 2.655 20 0 DFADHO COc1cc(F)c([C@@H](C)NCC2CC[NH+](C)CC2)cc1OC ZINC000351328184 286121492 /nfs/dbraw/zinc/12/14/92/286121492.db2.gz MTMJTPXEAKJGFV-GFCCVEGCSA-N 1 3 310.413 2.835 20 0 DFADHO CSc1ccc([C@H](C)NCCOCC[NH+](C)C)cc1F ZINC000351501100 286137063 /nfs/dbraw/zinc/13/70/63/286137063.db2.gz IHHBIKOOFHUOHD-LBPRGKRZSA-N 1 3 300.443 2.776 20 0 DFADHO CN(Cc1ccccc1)[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000371205299 150001807 /nfs/dbraw/zinc/00/18/07/150001807.db2.gz QHXHPCFFQBORCS-RTBURBONSA-N 1 3 301.478 2.677 20 0 DFADHO CN(Cc1ccccc1)[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000371205299 150001809 /nfs/dbraw/zinc/00/18/09/150001809.db2.gz QHXHPCFFQBORCS-RTBURBONSA-N 1 3 301.478 2.677 20 0 DFADHO CN(Cc1ccccc1)[C@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000371205297 150003026 /nfs/dbraw/zinc/00/30/26/150003026.db2.gz QHXHPCFFQBORCS-OALUTQOASA-N 1 3 301.478 2.677 20 0 DFADHO CN(Cc1ccccc1)[C@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000371205297 150003027 /nfs/dbraw/zinc/00/30/27/150003027.db2.gz QHXHPCFFQBORCS-OALUTQOASA-N 1 3 301.478 2.677 20 0 DFADHO Cc1noc(C2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)n1 ZINC000371449761 150049516 /nfs/dbraw/zinc/04/95/16/150049516.db2.gz XAUJUIISCPFAMS-SSHXOBKSSA-N 1 3 304.438 2.621 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000371879691 150108252 /nfs/dbraw/zinc/10/82/52/150108252.db2.gz JYQFKQQGLIZVAK-SJORKVTESA-N 1 3 315.461 2.870 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000371879691 150108254 /nfs/dbraw/zinc/10/82/54/150108254.db2.gz JYQFKQQGLIZVAK-SJORKVTESA-N 1 3 315.461 2.870 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2CCc2ccccc2)CCN1C ZINC000372060087 150130455 /nfs/dbraw/zinc/13/04/55/150130455.db2.gz OUIVEBJLMIKVFL-RLLQIKCJSA-N 1 3 315.505 2.766 20 0 DFADHO Cc1ccc(F)cc1CN1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000372459272 150175679 /nfs/dbraw/zinc/17/56/79/150175679.db2.gz BAODVUBNFDERAV-QGZVFWFLSA-N 1 3 319.468 2.594 20 0 DFADHO CCCC[N@H+](C)CC1CCN(CCc2cnn(CC)c2)CC1 ZINC000351608131 286167638 /nfs/dbraw/zinc/16/76/38/286167638.db2.gz LWYZDGVRWZVJFK-UHFFFAOYSA-N 1 3 306.498 2.889 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(CCc2cnn(CC)c2)CC1 ZINC000351608131 286167639 /nfs/dbraw/zinc/16/76/39/286167639.db2.gz LWYZDGVRWZVJFK-UHFFFAOYSA-N 1 3 306.498 2.889 20 0 DFADHO Cc1cccc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374259382 150331310 /nfs/dbraw/zinc/33/13/10/150331310.db2.gz OZOXXKGMQSGPGT-QGZVFWFLSA-N 1 3 301.478 2.595 20 0 DFADHO Cc1cccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374259382 150331313 /nfs/dbraw/zinc/33/13/13/150331313.db2.gz OZOXXKGMQSGPGT-QGZVFWFLSA-N 1 3 301.478 2.595 20 0 DFADHO Cc1cccc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000374259382 150331316 /nfs/dbraw/zinc/33/13/16/150331316.db2.gz OZOXXKGMQSGPGT-QGZVFWFLSA-N 1 3 301.478 2.595 20 0 DFADHO CCN(CCC[NH+](CC)CC)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000351803680 286222447 /nfs/dbraw/zinc/22/24/47/286222447.db2.gz GAOAWUILJCBCOA-IXDOHACOSA-N 1 3 311.514 2.828 20 0 DFADHO CCN(CC)CCC[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000352018791 286271304 /nfs/dbraw/zinc/27/13/04/286271304.db2.gz SGHTZDCUESVEFD-SFHVURJKSA-N 1 3 301.478 2.855 20 0 DFADHO CCN(CC)CCC[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000352018791 286271305 /nfs/dbraw/zinc/27/13/05/286271305.db2.gz SGHTZDCUESVEFD-SFHVURJKSA-N 1 3 301.478 2.855 20 0 DFADHO Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000352114298 286295757 /nfs/dbraw/zinc/29/57/57/286295757.db2.gz WKZQFGGJVAYDEW-HNNXBMFYSA-N 1 3 310.445 2.661 20 0 DFADHO Cn1nccc1-c1ccccc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000352114298 286295759 /nfs/dbraw/zinc/29/57/59/286295759.db2.gz WKZQFGGJVAYDEW-HNNXBMFYSA-N 1 3 310.445 2.661 20 0 DFADHO Cn1nccc1-c1ccccc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000352114298 286295762 /nfs/dbraw/zinc/29/57/62/286295762.db2.gz WKZQFGGJVAYDEW-HNNXBMFYSA-N 1 3 310.445 2.661 20 0 DFADHO [NH3+]CC[C@H]1CCCCN1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000352495173 286388107 /nfs/dbraw/zinc/38/81/07/286388107.db2.gz JERZOFYDIZGIHN-MJGOQNOKSA-N 1 3 318.461 2.948 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C12CCC2 ZINC000181616533 286385468 /nfs/dbraw/zinc/38/54/68/286385468.db2.gz BDUDBXYGHWVGAU-XWTMOSNGSA-N 1 3 324.509 2.813 20 0 DFADHO Cc1nc2ccccn2c1CN(CCC[NH3+])CC1CCCC1 ZINC000352526773 286398347 /nfs/dbraw/zinc/39/83/47/286398347.db2.gz ROEJEWMYNGBQDZ-UHFFFAOYSA-N 1 3 300.450 2.984 20 0 DFADHO C[NH+](C)C1(CNC(=O)[C@@H](C2CC2)N2CCCC2)CCCCCC1 ZINC000352737363 286454725 /nfs/dbraw/zinc/45/47/25/286454725.db2.gz UJTXDKXNNLZEDE-QGZVFWFLSA-N 1 3 321.509 2.632 20 0 DFADHO CCN1CCN(CCC[NH2+]Cc2ccc(SC)s2)CC1 ZINC000352842335 286482196 /nfs/dbraw/zinc/48/21/96/286482196.db2.gz VXVTXVLBTMMLQP-UHFFFAOYSA-N 1 3 313.536 2.587 20 0 DFADHO COc1cccc(OC)c1CNCC1(SC)CC[NH+](C)CC1 ZINC000353196941 286576946 /nfs/dbraw/zinc/57/69/46/286576946.db2.gz VMVRJGUTRYVFQA-UHFFFAOYSA-N 1 3 324.490 2.621 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](C)Oc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246939790 158107024 /nfs/dbraw/zinc/10/70/24/158107024.db2.gz GUVLYRJWRXDJIL-MPGHIAIKSA-N 1 3 306.450 2.782 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](C)Oc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246939790 158107026 /nfs/dbraw/zinc/10/70/26/158107026.db2.gz GUVLYRJWRXDJIL-MPGHIAIKSA-N 1 3 306.450 2.782 20 0 DFADHO CCCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)c1 ZINC000247050542 158116493 /nfs/dbraw/zinc/11/64/93/158116493.db2.gz NGTCSEYBRAJSQS-IIDMSEBBSA-N 1 3 317.477 2.645 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000247172382 158120934 /nfs/dbraw/zinc/12/09/34/158120934.db2.gz YRAGCCDGMCXHQU-ISARSNTHSA-N 1 3 303.494 2.916 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000247172382 158120936 /nfs/dbraw/zinc/12/09/36/158120936.db2.gz YRAGCCDGMCXHQU-ISARSNTHSA-N 1 3 303.494 2.916 20 0 DFADHO Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)N(C)C)cc1 ZINC000247172382 158120938 /nfs/dbraw/zinc/12/09/38/158120938.db2.gz YRAGCCDGMCXHQU-ISARSNTHSA-N 1 3 303.494 2.916 20 0 DFADHO CCN1CC[C@H]([NH2+]CCN(C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247253675 158124605 /nfs/dbraw/zinc/12/46/05/158124605.db2.gz YMSTYUPICRGILS-YJBOKZPZSA-N 1 3 307.457 2.577 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCN(C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247253675 158124607 /nfs/dbraw/zinc/12/46/07/158124607.db2.gz YMSTYUPICRGILS-YJBOKZPZSA-N 1 3 307.457 2.577 20 0 DFADHO CC[N@H+]1CC[C@H](NCCN(C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247253675 158124609 /nfs/dbraw/zinc/12/46/09/158124609.db2.gz YMSTYUPICRGILS-YJBOKZPZSA-N 1 3 307.457 2.577 20 0 DFADHO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1OC ZINC000247237636 158125142 /nfs/dbraw/zinc/12/51/42/158125142.db2.gz YUKJBQGHIYBMKJ-IIAWOOMASA-N 1 3 306.450 2.912 20 0 DFADHO C[C@H](CCn1cccn1)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248401656 158171730 /nfs/dbraw/zinc/17/17/30/158171730.db2.gz MELWRVODBQREHZ-ZACQAIPSSA-N 1 3 304.482 2.904 20 0 DFADHO OCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000248446493 158177487 /nfs/dbraw/zinc/17/74/87/158177487.db2.gz COZZQGNWKIMAEB-GBESFXJTSA-N 1 3 314.473 2.649 20 0 DFADHO C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248652813 158194161 /nfs/dbraw/zinc/19/41/61/158194161.db2.gz YKPORBWMBCVVTD-YEOLBDKBSA-N 1 3 314.473 2.814 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cccc2cc[nH]c21 ZINC000355209128 158298569 /nfs/dbraw/zinc/29/85/69/158298569.db2.gz QYXDZCZIMVFRNJ-KZNAEPCWSA-N 1 3 313.445 2.851 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000357704122 158365630 /nfs/dbraw/zinc/36/56/30/158365630.db2.gz UGKWHNROKRVKLX-KRWDZBQOSA-N 1 3 320.477 2.623 20 0 DFADHO C[C@@H](O)[C@](C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000188921816 287115869 /nfs/dbraw/zinc/11/58/69/287115869.db2.gz IYRIMFFUHZMMKF-AFYVEPGGSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@@H](O)[C@](C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000188921816 287115873 /nfs/dbraw/zinc/11/58/73/287115873.db2.gz IYRIMFFUHZMMKF-AFYVEPGGSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCNC1 ZINC000132094419 196225950 /nfs/dbraw/zinc/22/59/50/196225950.db2.gz CFQPNFVOIAFCOI-OCCSQVGLSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000132094419 196225952 /nfs/dbraw/zinc/22/59/52/196225952.db2.gz CFQPNFVOIAFCOI-OCCSQVGLSA-N 1 3 311.267 2.969 20 0 DFADHO CCOCCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000132672839 196274807 /nfs/dbraw/zinc/27/48/07/196274807.db2.gz SJLOXALEYACOCU-UHFFFAOYSA-N 1 3 319.493 2.733 20 0 DFADHO CCN1CCC[C@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000133016425 196304981 /nfs/dbraw/zinc/30/49/81/196304981.db2.gz UXOCBZLTVJUFIE-WMZOPIPTSA-N 1 3 319.493 2.762 20 0 DFADHO c1ccc(CC[N@@H+]2CC[C@H](CN[C@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000667835057 543688921 /nfs/dbraw/zinc/68/89/21/543688921.db2.gz HKRMOLYWKIMIKW-MISYRCLQSA-N 1 3 314.473 2.708 20 0 DFADHO c1ccc(CC[N@H+]2CC[C@H](CN[C@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000667835057 543688922 /nfs/dbraw/zinc/68/89/22/543688922.db2.gz HKRMOLYWKIMIKW-MISYRCLQSA-N 1 3 314.473 2.708 20 0 DFADHO Cn1ncc(C2CC2)c1CN1CCC(CCC[NH+](C)C)CC1 ZINC000667671957 543656815 /nfs/dbraw/zinc/65/68/15/543656815.db2.gz GAHREPYUYAMHQM-UHFFFAOYSA-N 1 3 304.482 2.851 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(CN)c2)C1 ZINC000667724023 543667425 /nfs/dbraw/zinc/66/74/25/543667425.db2.gz SHCIUOKGKTWGKH-MRXNPFEDSA-N 1 3 318.465 2.635 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(CN)c2)C1 ZINC000667724023 543667428 /nfs/dbraw/zinc/66/74/28/543667428.db2.gz SHCIUOKGKTWGKH-MRXNPFEDSA-N 1 3 318.465 2.635 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667733966 543669855 /nfs/dbraw/zinc/66/98/55/543669855.db2.gz OQHKSKYCWGLFAK-UHFFFAOYSA-N 1 3 318.465 2.875 20 0 DFADHO c1cc(C[NH+]2CCCC2)ccc1CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667769850 543675888 /nfs/dbraw/zinc/67/58/88/543675888.db2.gz HVJUQXGWOXIKGY-RBUKOAKNSA-N 1 3 300.446 2.940 20 0 DFADHO c1cc(C[NH+]2CCCC2)ccc1CN[C@H]1CO[C@H](C2CC2)C1 ZINC000667769848 543675896 /nfs/dbraw/zinc/67/58/96/543675896.db2.gz HVJUQXGWOXIKGY-MOPGFXCFSA-N 1 3 300.446 2.940 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000667785616 543678641 /nfs/dbraw/zinc/67/86/41/543678641.db2.gz VBTJYMGKCXBSDU-AABGKKOBSA-N 1 3 313.489 2.712 20 0 DFADHO Cc1ncc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2ccccc2)n1C ZINC000668134921 543746253 /nfs/dbraw/zinc/74/62/53/543746253.db2.gz YSKGCFFOZDWESY-IEBWSBKVSA-N 1 3 312.461 2.901 20 0 DFADHO COC[C@H](C)Oc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000668172109 543758594 /nfs/dbraw/zinc/75/85/94/543758594.db2.gz DNLKCTSHRZAKFI-TXPKVOOTSA-N 1 3 320.477 2.872 20 0 DFADHO COC[C@H](C)Oc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000668172109 543758597 /nfs/dbraw/zinc/75/85/97/543758597.db2.gz DNLKCTSHRZAKFI-TXPKVOOTSA-N 1 3 320.477 2.872 20 0 DFADHO C[C@@H]1CSC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000668512826 543816626 /nfs/dbraw/zinc/81/66/26/543816626.db2.gz QHXYQVAKZFYNAR-PBHICJAKSA-N 1 3 305.491 2.635 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)[C@H](C)O1 ZINC000296736604 226178968 /nfs/dbraw/zinc/17/89/68/226178968.db2.gz JTRUAEJKHZNXTF-ZRGWGRIASA-N 1 3 318.461 2.815 20 0 DFADHO C[C@@H](C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C(C)(C)C ZINC000670268467 544031398 /nfs/dbraw/zinc/03/13/98/544031398.db2.gz ISSLYBSTGDNJIY-HNNXBMFYSA-N 1 3 319.493 2.750 20 0 DFADHO CCN1CCN(CCCC[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442713482 297202530 /nfs/dbraw/zinc/20/25/30/297202530.db2.gz IFSHHBUWIMCWOX-UHFFFAOYSA-N 1 3 317.468 2.818 20 0 DFADHO CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000672987678 544163491 /nfs/dbraw/zinc/16/34/91/544163491.db2.gz GZUIGWWYIRJQPV-FGTMMUONSA-N 1 3 321.509 2.726 20 0 DFADHO CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000672987678 544163492 /nfs/dbraw/zinc/16/34/92/544163492.db2.gz GZUIGWWYIRJQPV-FGTMMUONSA-N 1 3 321.509 2.726 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[C@H](C)N2C)cc1 ZINC000673433202 544179744 /nfs/dbraw/zinc/17/97/44/544179744.db2.gz MMYLTMFXKFBDHK-YJBOKZPZSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@H](C[NH2+]Cc1ccc(OCCN(C)C)cc1)c1ccncc1 ZINC000674070066 544217411 /nfs/dbraw/zinc/21/74/11/544217411.db2.gz LXUYKNTYRPYZJN-MRXNPFEDSA-N 1 3 313.445 2.915 20 0 DFADHO Cc1cccc2c1OC[C@@H]([NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000297444332 227173808 /nfs/dbraw/zinc/17/38/08/227173808.db2.gz OOALEQUXYBGIHN-SFHVURJKSA-N 1 3 323.440 2.952 20 0 DFADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc2c(c1)OCCO2 ZINC000674881181 544273101 /nfs/dbraw/zinc/27/31/01/544273101.db2.gz YPSUUOJRIXKQNF-GOEBONIOSA-N 1 3 304.434 2.983 20 0 DFADHO CCC[NH+]1CCC(NC[C@@H](C)N2CCc3ccccc32)CC1 ZINC000675776671 544335773 /nfs/dbraw/zinc/33/57/73/544335773.db2.gz VMTMKFCPFRWKNX-MRXNPFEDSA-N 1 3 301.478 2.902 20 0 DFADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000675875083 544341219 /nfs/dbraw/zinc/34/12/19/544341219.db2.gz RGBXPLIWDMCSBQ-NEWSRXKRSA-N 1 3 307.526 2.959 20 0 DFADHO Cc1cc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)n[nH]1 ZINC000675891840 544342281 /nfs/dbraw/zinc/34/22/81/544342281.db2.gz BTVOYLLLEDZHSB-AWEZNQCLSA-N 1 3 302.422 2.509 20 0 DFADHO CCCN1CCC([NH2+]CC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000675901664 544343106 /nfs/dbraw/zinc/34/31/06/544343106.db2.gz QFULBRIXMVAQLU-UHFFFAOYSA-N 1 3 315.505 2.550 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000677154059 544442922 /nfs/dbraw/zinc/44/29/22/544442922.db2.gz ZCOZZEPHQBEEGL-MRXNPFEDSA-N 1 3 306.450 2.674 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000678072983 544594317 /nfs/dbraw/zinc/59/43/17/544594317.db2.gz HFHUKJQLIOKHSE-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC000678295568 544646884 /nfs/dbraw/zinc/64/68/84/544646884.db2.gz IXPGRZGGMCDCKS-UHFFFAOYSA-N 1 3 318.461 2.630 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000678295568 544646887 /nfs/dbraw/zinc/64/68/87/544646887.db2.gz IXPGRZGGMCDCKS-UHFFFAOYSA-N 1 3 318.461 2.630 20 0 DFADHO CN(CCOC(C)(C)C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678283798 544643929 /nfs/dbraw/zinc/64/39/29/544643929.db2.gz JMPKUAMEELPEKU-UHFFFAOYSA-N 1 3 308.466 2.874 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000678766118 544716661 /nfs/dbraw/zinc/71/66/61/544716661.db2.gz MBSSGEXYHYQVOR-XLIONFOSSA-N 1 3 315.505 2.927 20 0 DFADHO C[C@@H](C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(F)cc1 ZINC000678957123 544756336 /nfs/dbraw/zinc/75/63/36/544756336.db2.gz SAAQDPVDHKAKOJ-MAUKXSAKSA-N 1 3 319.468 2.687 20 0 DFADHO CCN1C[C@H](C)[C@H](NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000679076094 544779717 /nfs/dbraw/zinc/77/97/17/544779717.db2.gz QNOUFIPPVSCPKY-UKBAYJJMSA-N 1 3 307.526 2.959 20 0 DFADHO CO[C@H]1CCCN(CC(C)C[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953868 544932670 /nfs/dbraw/zinc/93/26/70/544932670.db2.gz XOIAXMAUOABMJR-ROUUACIJSA-N 1 3 312.498 2.624 20 0 DFADHO CO[C@H]1CCCN(CC(C)C[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953868 544932674 /nfs/dbraw/zinc/93/26/74/544932674.db2.gz XOIAXMAUOABMJR-ROUUACIJSA-N 1 3 312.498 2.624 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000680148596 544963757 /nfs/dbraw/zinc/96/37/57/544963757.db2.gz FFXSDCGEOJXPLE-OALUTQOASA-N 1 3 318.461 2.674 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000062253103 425900087 /nfs/dbraw/zinc/90/00/87/425900087.db2.gz AOPOLVNEQGYMJH-KBPBESRZSA-N 1 3 312.404 2.944 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000067453054 425910800 /nfs/dbraw/zinc/91/08/00/425910800.db2.gz AOPOLVNEQGYMJH-ZIAGYGMSSA-N 1 3 312.404 2.944 20 0 DFADHO CC[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC)N(C)C ZINC000124673568 425932138 /nfs/dbraw/zinc/93/21/38/425932138.db2.gz RYSQQWZDVDBHSP-IAGOWNOFSA-N 1 3 305.466 2.526 20 0 DFADHO C[C@H](CC[NH2+][C@H]1CCN(C)[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000156196411 425933999 /nfs/dbraw/zinc/93/39/99/425933999.db2.gz JCHQXSFIESPDGQ-AOIWGVFYSA-N 1 3 303.494 2.969 20 0 DFADHO CCc1cc(N2CCN(C[C@@H](C)O)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000124715427 425934848 /nfs/dbraw/zinc/93/48/48/425934848.db2.gz UAKOTIYPPOLMQP-HUUCEWRRSA-N 1 3 313.445 2.689 20 0 DFADHO C[C@H](CNC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000187708642 267871284 /nfs/dbraw/zinc/87/12/84/267871284.db2.gz JTDGSJBXZSKANX-RHSMWYFYSA-N 1 3 310.869 2.880 20 0 DFADHO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000044277036 425855830 /nfs/dbraw/zinc/85/58/30/425855830.db2.gz QHWZBDKFOVZDJO-CQSZACIVSA-N 1 3 306.454 2.600 20 0 DFADHO COC(=O)C1CCC([NH2+]C[C@H]2CCCN(CC(C)C)C2)CC1 ZINC000192445916 268036343 /nfs/dbraw/zinc/03/63/43/268036343.db2.gz XBVQPMXPKWXJOI-KLAILNCOSA-N 1 3 310.482 2.676 20 0 DFADHO CCC[C@](C)([NH3+])C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000261552519 268168646 /nfs/dbraw/zinc/16/86/46/268168646.db2.gz RPCVOVHJQCHJDO-IBGZPJMESA-N 1 3 317.477 2.627 20 0 DFADHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000263700037 268170716 /nfs/dbraw/zinc/17/07/16/268170716.db2.gz LIWONUKFHBCXIO-UHFFFAOYSA-N 1 3 321.440 2.959 20 0 DFADHO COc1cccc(N2CC[C@H](N[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)C2)c1 ZINC000268867562 268186409 /nfs/dbraw/zinc/18/64/09/268186409.db2.gz TUYLKPJCRZLQJU-PASDCYSWSA-N 1 3 317.477 2.592 20 0 DFADHO COc1cccc(N2CC[C@H](N[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)C2)c1 ZINC000268867562 268186410 /nfs/dbraw/zinc/18/64/10/268186410.db2.gz TUYLKPJCRZLQJU-PASDCYSWSA-N 1 3 317.477 2.592 20 0 DFADHO Cc1nccn1CCN(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000270861319 268227139 /nfs/dbraw/zinc/22/71/39/268227139.db2.gz JWKSZEQTLUOLPG-LJQANCHMSA-N 1 3 312.461 2.788 20 0 DFADHO Cc1nccn1CCN(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000270861319 268227141 /nfs/dbraw/zinc/22/71/41/268227141.db2.gz JWKSZEQTLUOLPG-LJQANCHMSA-N 1 3 312.461 2.788 20 0 DFADHO CC(C)N1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000270896973 268232228 /nfs/dbraw/zinc/23/22/28/268232228.db2.gz MBXZAPQKPISIHV-UHFFFAOYSA-N 1 3 315.505 2.720 20 0 DFADHO COC(=O)c1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047969924 425872557 /nfs/dbraw/zinc/87/25/57/425872557.db2.gz VVUVCHGHPACMQO-UHFFFAOYSA-N 1 3 316.445 2.781 20 0 DFADHO CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000313123474 268338889 /nfs/dbraw/zinc/33/88/89/268338889.db2.gz STKYGTLNMPQHDT-OKYOBFRVSA-N 1 3 314.473 2.912 20 0 DFADHO CC1(C)COC[C@@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000313123474 268338891 /nfs/dbraw/zinc/33/88/91/268338891.db2.gz STKYGTLNMPQHDT-OKYOBFRVSA-N 1 3 314.473 2.912 20 0 DFADHO CC1(C)COC[C@@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000313123474 268338892 /nfs/dbraw/zinc/33/88/92/268338892.db2.gz STKYGTLNMPQHDT-OKYOBFRVSA-N 1 3 314.473 2.912 20 0 DFADHO CCc1noc(C2CCC([NH2+]C[C@@]3(C)CCCNC3)CC2)n1 ZINC000333183240 268380776 /nfs/dbraw/zinc/38/07/76/268380776.db2.gz QDWMSVZEOMDHMB-KVULBXGLSA-N 1 3 306.454 2.638 20 0 DFADHO CC(C)c1nnc2n1C[C@H](N[C@H](C)C[C@H]1CCCCC[NH2+]1)CC2 ZINC000333231024 268384649 /nfs/dbraw/zinc/38/46/49/268384649.db2.gz BZJMITBGEDXERI-BZUAXINKSA-N 1 3 319.497 2.617 20 0 DFADHO C[C@@H]1[NH2+]CCC[C@@H]1NC1CCC2(CC1)c1ccccc1NC2=O ZINC000333289187 268389273 /nfs/dbraw/zinc/38/92/73/268389273.db2.gz OCPZGHSJOLVRFI-ZTCUZBCZSA-N 1 3 313.445 2.549 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000124789607 425938899 /nfs/dbraw/zinc/93/88/99/425938899.db2.gz ODWDRIZPRKSFIX-JLSDUUJJSA-N 1 3 307.457 2.748 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000124789607 425938902 /nfs/dbraw/zinc/93/89/02/425938902.db2.gz ODWDRIZPRKSFIX-JLSDUUJJSA-N 1 3 307.457 2.748 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000124789607 425938906 /nfs/dbraw/zinc/93/89/06/425938906.db2.gz ODWDRIZPRKSFIX-JLSDUUJJSA-N 1 3 307.457 2.748 20 0 DFADHO COC(=O)CCCN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158844017 425948546 /nfs/dbraw/zinc/94/85/46/425948546.db2.gz HJIPAXNXWIRLRU-MRXNPFEDSA-N 1 3 310.482 2.916 20 0 DFADHO COC(=O)CCCN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158844017 425948547 /nfs/dbraw/zinc/94/85/47/425948547.db2.gz HJIPAXNXWIRLRU-MRXNPFEDSA-N 1 3 310.482 2.916 20 0 DFADHO CC(C)[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CCC1 ZINC000159204747 425956931 /nfs/dbraw/zinc/95/69/31/425956931.db2.gz OYSGKSCGAOYRJY-SFHVURJKSA-N 1 3 317.477 2.668 20 0 DFADHO CC(C)[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CCC1 ZINC000159204747 425956934 /nfs/dbraw/zinc/95/69/34/425956934.db2.gz OYSGKSCGAOYRJY-SFHVURJKSA-N 1 3 317.477 2.668 20 0 DFADHO COC[C@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000125339826 425966510 /nfs/dbraw/zinc/96/65/10/425966510.db2.gz RDENGTMQKRYZSO-SFHVURJKSA-N 1 3 319.493 2.522 20 0 DFADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000125478797 425974406 /nfs/dbraw/zinc/97/44/06/425974406.db2.gz MVWRECGOQNZWQC-YJBOKZPZSA-N 1 3 321.534 2.890 20 0 DFADHO COC[C@H](Cc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126616648 426029005 /nfs/dbraw/zinc/02/90/05/426029005.db2.gz NWYHEQAIICMISD-HRVKUGKESA-N 1 3 302.462 2.849 20 0 DFADHO COC[C@H](Cc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126616648 426029009 /nfs/dbraw/zinc/02/90/09/426029009.db2.gz NWYHEQAIICMISD-HRVKUGKESA-N 1 3 302.462 2.849 20 0 DFADHO CCCN1CCC([N@H+](C)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000111240444 426040853 /nfs/dbraw/zinc/04/08/53/426040853.db2.gz KVCCCKQSCRQNSZ-UHFFFAOYSA-N 1 3 313.445 2.834 20 0 DFADHO CCCN1CCC([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000111240444 426040855 /nfs/dbraw/zinc/04/08/55/426040855.db2.gz KVCCCKQSCRQNSZ-UHFFFAOYSA-N 1 3 313.445 2.834 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000161872867 426043501 /nfs/dbraw/zinc/04/35/01/426043501.db2.gz QAMNNOVQIGJWBA-IJEWVQPXSA-N 1 3 304.434 2.666 20 0 DFADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc2c(c1)OCCO2 ZINC000163243256 426093226 /nfs/dbraw/zinc/09/32/26/426093226.db2.gz PBPFUOKIIRJQIC-GOEBONIOSA-N 1 3 304.434 2.840 20 0 DFADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc2c(c1)OCCO2 ZINC000163243376 426093620 /nfs/dbraw/zinc/09/36/20/426093620.db2.gz PBPFUOKIIRJQIC-ZBFHGGJFSA-N 1 3 304.434 2.840 20 0 DFADHO CCOC(=O)CCCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109789 426100948 /nfs/dbraw/zinc/10/09/48/426100948.db2.gz BMSZGLKTDIWQEY-SFHVURJKSA-N 1 3 318.461 2.784 20 0 DFADHO CCOC(=O)CCCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109789 426100951 /nfs/dbraw/zinc/10/09/51/426100951.db2.gz BMSZGLKTDIWQEY-SFHVURJKSA-N 1 3 318.461 2.784 20 0 DFADHO CC(C)Oc1cccc([C@@H](O)CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000128266378 426110510 /nfs/dbraw/zinc/11/05/10/426110510.db2.gz SFKIFWLRPPXFCT-LESCRADOSA-N 1 3 306.450 2.580 20 0 DFADHO CC(C)Oc1cccc([C@@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000128266378 426110513 /nfs/dbraw/zinc/11/05/13/426110513.db2.gz SFKIFWLRPPXFCT-LESCRADOSA-N 1 3 306.450 2.580 20 0 DFADHO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000165134863 426120714 /nfs/dbraw/zinc/12/07/14/426120714.db2.gz HLJWOFGOUQKOBG-CVEARBPZSA-N 1 3 301.434 2.738 20 0 DFADHO COC[C@@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C(C)C ZINC000165877945 426125021 /nfs/dbraw/zinc/12/50/21/426125021.db2.gz XCAGOESIPSABGJ-CRAIPNDOSA-N 1 3 308.466 2.949 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCN2c3ccccc3C[C@@H]2C)[C@H](C)C1 ZINC000162727069 426073843 /nfs/dbraw/zinc/07/38/43/426073843.db2.gz KWGNQSMKHMVUNA-RYRKJORJSA-N 1 3 301.478 2.758 20 0 DFADHO CC[N@H+]1CC[C@H](NCCN2c3ccccc3C[C@@H]2C)[C@H](C)C1 ZINC000162727069 426073845 /nfs/dbraw/zinc/07/38/45/426073845.db2.gz KWGNQSMKHMVUNA-RYRKJORJSA-N 1 3 301.478 2.758 20 0 DFADHO Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H](CN(C)C)C3)cc2)n1 ZINC000114479581 426137641 /nfs/dbraw/zinc/13/76/41/426137641.db2.gz GTHLOKPVCVHSIJ-SFHVURJKSA-N 1 3 312.461 2.873 20 0 DFADHO Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H](CN(C)C)C3)cc2)n1 ZINC000114479581 426137644 /nfs/dbraw/zinc/13/76/44/426137644.db2.gz GTHLOKPVCVHSIJ-SFHVURJKSA-N 1 3 312.461 2.873 20 0 DFADHO CCCC[C@@H](C[NH3+])NC(=O)c1cccc(CN2CCCC2)c1 ZINC000162902478 426082416 /nfs/dbraw/zinc/08/24/16/426082416.db2.gz CUQDQDXIWCYHII-KRWDZBQOSA-N 1 3 303.450 2.530 20 0 DFADHO C[C@H]1CN(C)CC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000129609650 426140218 /nfs/dbraw/zinc/14/02/18/426140218.db2.gz LKWZEJBIGSLATK-QGZVKYPTSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000132333685 426168498 /nfs/dbraw/zinc/16/84/98/426168498.db2.gz OLHYFVNNCHZFOC-LPHOPBHVSA-N 1 3 301.478 2.581 20 0 DFADHO CCC[NH+]1CCC(N(C)CCC(=O)N(C)c2ccccc2)CC1 ZINC000135122539 426206139 /nfs/dbraw/zinc/20/61/39/426206139.db2.gz JBYLEOMKXXQUHU-UHFFFAOYSA-N 1 3 317.477 2.846 20 0 DFADHO CCN(CC)CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116215813 426183796 /nfs/dbraw/zinc/18/37/96/426183796.db2.gz QIFYVZNJOHTIOK-MRXNPFEDSA-N 1 3 317.477 2.670 20 0 DFADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000079498040 426194549 /nfs/dbraw/zinc/19/45/49/426194549.db2.gz PTLVAUBVQFEDTJ-QGZVFWFLSA-N 1 3 320.481 2.846 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000119113249 426263646 /nfs/dbraw/zinc/26/36/46/426263646.db2.gz JVPHIVISLZFTGN-JYBIWHBTSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150967662 426270277 /nfs/dbraw/zinc/27/02/77/426270277.db2.gz HVXCOWBRGHOGJC-BEFAXECRSA-N 1 3 301.478 2.536 20 0 DFADHO Cc1ccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c(C)c1 ZINC000150984975 426271066 /nfs/dbraw/zinc/27/10/66/426271066.db2.gz KXNBSYMZMQLNCE-QGZVFWFLSA-N 1 3 303.494 2.980 20 0 DFADHO CC(C)C[C@@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000119256175 426272824 /nfs/dbraw/zinc/27/28/24/426272824.db2.gz GGIBHRFTWKDYPH-KRWDZBQOSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cnc(C3CC3)s2)CC1 ZINC000121150940 426321597 /nfs/dbraw/zinc/32/15/97/426321597.db2.gz BZXJZUJJTRAZIG-CYBMUJFWSA-N 1 3 323.506 2.545 20 0 DFADHO CCSc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000339678108 268863625 /nfs/dbraw/zinc/86/36/25/268863625.db2.gz RKGNKDQICUVSEG-CQSZACIVSA-N 1 3 308.491 2.906 20 0 DFADHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)cc1F ZINC000153712704 426402133 /nfs/dbraw/zinc/40/21/33/426402133.db2.gz QRZYTUGJMUIWPO-SUMWQHHRSA-N 1 3 316.424 2.750 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1F ZINC000153712704 426402137 /nfs/dbraw/zinc/40/21/37/426402137.db2.gz QRZYTUGJMUIWPO-SUMWQHHRSA-N 1 3 316.424 2.750 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1F ZINC000153712704 426402141 /nfs/dbraw/zinc/40/21/41/426402141.db2.gz QRZYTUGJMUIWPO-SUMWQHHRSA-N 1 3 316.424 2.750 20 0 DFADHO CN1CCC[C@@H](C[N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000152378690 426341803 /nfs/dbraw/zinc/34/18/03/426341803.db2.gz PBCQJWULQIKSLQ-CYBMUJFWSA-N 1 3 324.852 2.885 20 0 DFADHO CN1CCC[C@@H](C[N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000152378690 426341805 /nfs/dbraw/zinc/34/18/05/426341805.db2.gz PBCQJWULQIKSLQ-CYBMUJFWSA-N 1 3 324.852 2.885 20 0 DFADHO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000152408905 426342323 /nfs/dbraw/zinc/34/23/23/426342323.db2.gz RQEUDFLSYXFNCZ-WMLDXEAASA-N 1 3 316.445 2.983 20 0 DFADHO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000152408905 426342325 /nfs/dbraw/zinc/34/23/25/426342325.db2.gz RQEUDFLSYXFNCZ-WMLDXEAASA-N 1 3 316.445 2.983 20 0 DFADHO CCN(CC)C(=O)[C@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121629269 426351419 /nfs/dbraw/zinc/35/14/19/426351419.db2.gz HYQJWKNLOAXHMU-KRWDZBQOSA-N 1 3 323.525 2.831 20 0 DFADHO CN(C/C=C/C[N@H+](C)CCc1ccccn1)CCc1ccccn1 ZINC000153017082 426366382 /nfs/dbraw/zinc/36/63/82/426366382.db2.gz ULLMJRKOLXRJIU-BQYQJAHWSA-N 1 3 324.472 2.682 20 0 DFADHO CN(C/C=C/C[N@@H+](C)CCc1ccccn1)CCc1ccccn1 ZINC000153017082 426366385 /nfs/dbraw/zinc/36/63/85/426366385.db2.gz ULLMJRKOLXRJIU-BQYQJAHWSA-N 1 3 324.472 2.682 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000122780406 426393324 /nfs/dbraw/zinc/39/33/24/426393324.db2.gz WJGGCZDBAYFLFF-FUHIMQAGSA-N 1 3 315.505 2.753 20 0 DFADHO CCN1CC[C@H]([NH2+]CCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000122770990 426394009 /nfs/dbraw/zinc/39/40/09/426394009.db2.gz VQVPEPVIDAPFJZ-XLIONFOSSA-N 1 3 315.505 2.755 20 0 DFADHO CCOc1ccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)cc1OC ZINC000153840319 426409223 /nfs/dbraw/zinc/40/92/23/426409223.db2.gz YUKJBQGHIYBMKJ-DZKIICNBSA-N 1 3 306.450 2.912 20 0 DFADHO C(CCN1CCOC2(CCC2)C1)CC[N@@H+]1CCOC2(CCC2)C1 ZINC000154109398 426425207 /nfs/dbraw/zinc/42/52/07/426425207.db2.gz HTOHLKQYSLCUQQ-UHFFFAOYSA-N 1 3 322.493 2.667 20 0 DFADHO C(CCN1CCOC2(CCC2)C1)CC[N@H+]1CCOC2(CCC2)C1 ZINC000154109398 426425211 /nfs/dbraw/zinc/42/52/11/426425211.db2.gz HTOHLKQYSLCUQQ-UHFFFAOYSA-N 1 3 322.493 2.667 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(C)ccc2C)CC1 ZINC000154249606 426432718 /nfs/dbraw/zinc/43/27/18/426432718.db2.gz UBNCPCBUHOBOEA-GOSISDBHSA-N 1 3 303.494 2.982 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000154250966 426432947 /nfs/dbraw/zinc/43/29/47/426432947.db2.gz HWLDFSIBQGYYGI-QGZVFWFLSA-N 1 3 315.505 2.854 20 0 DFADHO CC(C)N1CCC(O)(C[NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000341295789 269063268 /nfs/dbraw/zinc/06/32/68/269063268.db2.gz YQGGSWZYXKLLJJ-UHFFFAOYSA-N 1 3 320.452 2.897 20 0 DFADHO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000341332200 269071024 /nfs/dbraw/zinc/07/10/24/269071024.db2.gz SOUXREDPZMDGRQ-BHEBFOIGSA-N 1 3 302.462 2.646 20 0 DFADHO C[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)N1CCc2sccc2C1 ZINC000177864226 426529810 /nfs/dbraw/zinc/52/98/10/426529810.db2.gz LNBXDCRPFTYRJH-LZWOXQAQSA-N 1 3 307.507 2.567 20 0 DFADHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2sccc2C1 ZINC000177864226 426529816 /nfs/dbraw/zinc/52/98/16/426529816.db2.gz LNBXDCRPFTYRJH-LZWOXQAQSA-N 1 3 307.507 2.567 20 0 DFADHO C[C@@H]([NH2+]CCN1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272457483 426530107 /nfs/dbraw/zinc/53/01/07/426530107.db2.gz KARUTJLZOPQVBJ-IEBWSBKVSA-N 1 3 301.478 2.582 20 0 DFADHO C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000186520494 426542563 /nfs/dbraw/zinc/54/25/63/426542563.db2.gz SYRNESPKDRJTMQ-KAWBWNIXSA-N 1 3 306.450 2.605 20 0 DFADHO Cc1nnc(CC[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)[nH]1 ZINC000272523757 426545779 /nfs/dbraw/zinc/54/57/79/426545779.db2.gz IFUMESRSQIXNPI-GFCCVEGCSA-N 1 3 310.405 2.501 20 0 DFADHO CC(C)[C@@H](CN1CCC([N@H+](C)CCO)CC1)c1ccccc1 ZINC000280303878 426545838 /nfs/dbraw/zinc/54/58/38/426545838.db2.gz PTCXTCYGXMUXLI-LJQANCHMSA-N 1 3 304.478 2.815 20 0 DFADHO CC(C)[C@@H](CN1CCC([N@@H+](C)CCO)CC1)c1ccccc1 ZINC000280303878 426545841 /nfs/dbraw/zinc/54/58/41/426545841.db2.gz PTCXTCYGXMUXLI-LJQANCHMSA-N 1 3 304.478 2.815 20 0 DFADHO CCSCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177508123 426490332 /nfs/dbraw/zinc/49/03/32/426490332.db2.gz NXLWLYRZXAIVMR-HOTGVXAUSA-N 1 3 314.539 2.951 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCC(C)CC2)C12CCOCC2 ZINC000186214459 426494070 /nfs/dbraw/zinc/49/40/70/426494070.db2.gz ZLGWKTCMXSJZTN-ZWKOTPCHSA-N 1 3 324.509 2.672 20 0 DFADHO CCO[C@@H]1C[C@H](NCCC[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000186214459 426494074 /nfs/dbraw/zinc/49/40/74/426494074.db2.gz ZLGWKTCMXSJZTN-ZWKOTPCHSA-N 1 3 324.509 2.672 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)CCO)c1cccc(OCCN(C)C)c1 ZINC000178163445 426580052 /nfs/dbraw/zinc/58/00/52/426580052.db2.gz DISCZYRYMUIRBS-OAHLLOKOSA-N 1 3 308.466 2.686 20 0 DFADHO CC(=O)Nc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000289213976 426607279 /nfs/dbraw/zinc/60/72/79/426607279.db2.gz CEARYZZHKHFRQK-JWTNVVGKSA-N 1 3 301.434 2.702 20 0 DFADHO CC(=O)Nc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000289213976 426607284 /nfs/dbraw/zinc/60/72/84/426607284.db2.gz CEARYZZHKHFRQK-JWTNVVGKSA-N 1 3 301.434 2.702 20 0 DFADHO Cc1ccc(F)c(CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000289397971 426646987 /nfs/dbraw/zinc/64/69/87/426646987.db2.gz GBVRTWYOXGUKHH-UHFFFAOYSA-N 1 3 307.457 2.592 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000236966904 426686979 /nfs/dbraw/zinc/68/69/79/426686979.db2.gz RTAWEYJQIXRRMW-MAUKXSAKSA-N 1 3 317.477 2.805 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000236966904 426686983 /nfs/dbraw/zinc/68/69/83/426686983.db2.gz RTAWEYJQIXRRMW-MAUKXSAKSA-N 1 3 317.477 2.805 20 0 DFADHO C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000280939831 426689534 /nfs/dbraw/zinc/68/95/34/426689534.db2.gz ISJYUGDBFLQYQW-QAPCUYQASA-N 1 3 320.477 2.829 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCc2cc(F)c(OC)cc21 ZINC000281815789 426770119 /nfs/dbraw/zinc/77/01/19/426770119.db2.gz ZFZYSMBZQBCTAN-PBHICJAKSA-N 1 3 324.440 2.768 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](c1cncc(F)c1)C1CC1 ZINC000281817806 426770573 /nfs/dbraw/zinc/77/05/73/426770573.db2.gz ZKFSVHSXBFUUBW-DLBZAZTESA-N 1 3 309.429 2.618 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN([C@H]2CCCCNC2=O)CC1 ZINC000245854427 426776034 /nfs/dbraw/zinc/77/60/34/426776034.db2.gz JTFUWGZYRICGLO-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN([C@H]2CCCCNC2=O)CC1 ZINC000245854427 426776040 /nfs/dbraw/zinc/77/60/40/426776040.db2.gz JTFUWGZYRICGLO-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CNCc1nn(CC)c2ccccc12 ZINC000274477742 426776110 /nfs/dbraw/zinc/77/61/10/426776110.db2.gz XBNXWEQCJDYLEU-HNNXBMFYSA-N 1 3 318.465 2.503 20 0 DFADHO C[C@H](c1ccc(F)cc1F)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178980309 426728832 /nfs/dbraw/zinc/72/88/32/426728832.db2.gz IEXKFDRGIDCQGF-CQSZACIVSA-N 1 3 323.431 2.643 20 0 DFADHO C[C@@H](C(=O)NC[C@H](c1ccccc1)N(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245204086 426731424 /nfs/dbraw/zinc/73/14/24/426731424.db2.gz YODAJMXZMTXYQS-UIBIWLFHSA-N 1 3 317.477 2.667 20 0 DFADHO C[C@@H](C(=O)NC[C@H](c1ccccc1)N(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245204086 426731428 /nfs/dbraw/zinc/73/14/28/426731428.db2.gz YODAJMXZMTXYQS-UIBIWLFHSA-N 1 3 317.477 2.667 20 0 DFADHO COc1c(O)cccc1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290297704 426734607 /nfs/dbraw/zinc/73/46/07/426734607.db2.gz AXXDVNWLTJBGFK-HNNXBMFYSA-N 1 3 304.434 2.565 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000290334428 426743845 /nfs/dbraw/zinc/74/38/45/426743845.db2.gz PCWRJMWYWHFBIG-NXHRZFHOSA-N 1 3 317.477 2.574 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1COC2(CCCCCC2)O1 ZINC000245563465 426752739 /nfs/dbraw/zinc/75/27/39/426752739.db2.gz NAYABOAAYANNEZ-NCOADZHNSA-N 1 3 310.482 2.771 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1COC2(CCCCCC2)O1 ZINC000245563465 426752741 /nfs/dbraw/zinc/75/27/41/426752741.db2.gz NAYABOAAYANNEZ-NCOADZHNSA-N 1 3 310.482 2.771 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000246294282 426819717 /nfs/dbraw/zinc/81/97/17/426819717.db2.gz NMGHJRZHYMYACZ-HDMKZQKVSA-N 1 3 317.477 2.702 20 0 DFADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CCC34CCC4)CC2)ccn1 ZINC000282086963 426826565 /nfs/dbraw/zinc/82/65/65/426826565.db2.gz HYPXQPPETFWTTL-GOSISDBHSA-N 1 3 314.477 2.516 20 0 DFADHO CC[C@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1ccccc1F ZINC000180119536 426837711 /nfs/dbraw/zinc/83/77/11/426837711.db2.gz IJSNIESCQVMPMZ-QAPCUYQASA-N 1 3 307.457 2.892 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000274805362 426839159 /nfs/dbraw/zinc/83/91/59/426839159.db2.gz UCEJVTKBWKIALE-ZMSDIMECSA-N 1 3 319.493 2.961 20 0 DFADHO CCC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccnc1 ZINC000282156115 426842049 /nfs/dbraw/zinc/84/20/49/426842049.db2.gz DBHUOQZIDWVGHJ-QGZVFWFLSA-N 1 3 304.482 2.538 20 0 DFADHO Cn1cc(-c2ccc(C[NH2+]CC3=CCN(C)CC3)s2)cn1 ZINC000282156087 426842630 /nfs/dbraw/zinc/84/26/30/426842630.db2.gz CJBJGTUQLDRNAS-UHFFFAOYSA-N 1 3 302.447 2.500 20 0 DFADHO C[N@H+](CCCNCc1c[nH]c2nccnc12)Cc1ccccc1 ZINC000290825304 426848242 /nfs/dbraw/zinc/84/82/42/426848242.db2.gz HJHWFCQSFKXSGZ-UHFFFAOYSA-N 1 3 309.417 2.570 20 0 DFADHO C[N@@H+](CCCNCc1c[nH]c2nccnc12)Cc1ccccc1 ZINC000290825304 426848246 /nfs/dbraw/zinc/84/82/46/426848246.db2.gz HJHWFCQSFKXSGZ-UHFFFAOYSA-N 1 3 309.417 2.570 20 0 DFADHO CN1CCN(CCNCc2ccc(Cl)cc2F)CC1(C)C ZINC000282190321 426848526 /nfs/dbraw/zinc/84/85/26/426848526.db2.gz BXPYWYFFDGFGAI-UHFFFAOYSA-N 1 3 313.848 2.595 20 0 DFADHO C[N@@H+]1CCN(CCNCc2ccc(Cl)cc2F)CC1(C)C ZINC000282190321 426848532 /nfs/dbraw/zinc/84/85/32/426848532.db2.gz BXPYWYFFDGFGAI-UHFFFAOYSA-N 1 3 313.848 2.595 20 0 DFADHO C[N@H+]1CCN(CCNCc2ccc(Cl)cc2F)CC1(C)C ZINC000282190321 426848537 /nfs/dbraw/zinc/84/85/37/426848537.db2.gz BXPYWYFFDGFGAI-UHFFFAOYSA-N 1 3 313.848 2.595 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000274872215 426855960 /nfs/dbraw/zinc/85/59/60/426855960.db2.gz XOURHFOZQOASSY-YZGWKJHDSA-N 1 3 315.505 2.971 20 0 DFADHO O[C@H](CN1CCC[C@H]2CCC[C@H]21)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000246016535 426790646 /nfs/dbraw/zinc/79/06/46/426790646.db2.gz UKVPWJUNWRTQRK-BSHDOZJQSA-N 1 3 306.494 2.876 20 0 DFADHO O[C@H](CN1CCC[C@H]2CCC[C@H]21)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000246016535 426790652 /nfs/dbraw/zinc/79/06/52/426790652.db2.gz UKVPWJUNWRTQRK-BSHDOZJQSA-N 1 3 306.494 2.876 20 0 DFADHO O[C@@H](CN1CCC[C@@H]2CCC[C@@H]21)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000246016535 426790659 /nfs/dbraw/zinc/79/06/59/426790659.db2.gz UKVPWJUNWRTQRK-BSHDOZJQSA-N 1 3 306.494 2.876 20 0 DFADHO O[C@@H](CN1CCC[C@@H]2CCC[C@@H]21)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000246016535 426790663 /nfs/dbraw/zinc/79/06/63/426790663.db2.gz UKVPWJUNWRTQRK-BSHDOZJQSA-N 1 3 306.494 2.876 20 0 DFADHO C[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)c1nc(-c2ccccc2)no1 ZINC000179478779 426792908 /nfs/dbraw/zinc/79/29/08/426792908.db2.gz ODYGXZAEVYLAML-YCPHGPKFSA-N 1 3 314.433 2.912 20 0 DFADHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc(-c2ccccc2)no1 ZINC000179478779 426792913 /nfs/dbraw/zinc/79/29/13/426792913.db2.gz ODYGXZAEVYLAML-YCPHGPKFSA-N 1 3 314.433 2.912 20 0 DFADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282345321 426887157 /nfs/dbraw/zinc/88/71/57/426887157.db2.gz PAFAQLGWXYHTAN-LJQANCHMSA-N 1 3 317.521 2.932 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000247000332 426888574 /nfs/dbraw/zinc/88/85/74/426888574.db2.gz KRDWPMVUCBTEFO-CABCVRRESA-N 1 3 317.433 2.636 20 0 DFADHO Clc1cccc(CCNC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000291480811 426893178 /nfs/dbraw/zinc/89/31/78/426893178.db2.gz QWVKWJKDVBCTGU-INIZCTEOSA-N 1 3 322.880 2.973 20 0 DFADHO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(OCCN(C)C)cc1 ZINC000247059505 426897186 /nfs/dbraw/zinc/89/71/86/426897186.db2.gz MMHPGVMYPWWOBN-BQFCYCMXSA-N 1 3 320.477 2.829 20 0 DFADHO Cc1cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cs1 ZINC000295447252 426962861 /nfs/dbraw/zinc/96/28/61/426962861.db2.gz PXKMEDSUOIPNLL-GOSISDBHSA-N 1 3 316.470 2.913 20 0 DFADHO Cc1cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cs1 ZINC000295447252 426962867 /nfs/dbraw/zinc/96/28/67/426962867.db2.gz PXKMEDSUOIPNLL-GOSISDBHSA-N 1 3 316.470 2.913 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(C(=O)C(C)(C)C)CC1 ZINC000321967265 426969367 /nfs/dbraw/zinc/96/93/67/426969367.db2.gz NPYVBLHXVGVOEL-DOTOQJQBSA-N 1 3 323.525 2.924 20 0 DFADHO CCN(CC)[C@H](CNC(=O)CCC(C)(C)[NH3+])c1ccccc1 ZINC000315936519 426941033 /nfs/dbraw/zinc/94/10/33/426941033.db2.gz IHYHLTKNGOZAMM-MRXNPFEDSA-N 1 3 305.466 2.703 20 0 DFADHO NC1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CCC1 ZINC000296047829 427057582 /nfs/dbraw/zinc/05/75/82/427057582.db2.gz OJBLFEADMHXQPH-UHFFFAOYSA-N 1 3 301.434 2.883 20 0 DFADHO COc1ccc(C[C@@H](C)CN2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000248901364 427061855 /nfs/dbraw/zinc/06/18/55/427061855.db2.gz XAMPAJWHTRDVGC-ZBFHGGJFSA-N 1 3 308.441 2.896 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000182159617 427019672 /nfs/dbraw/zinc/01/96/72/427019672.db2.gz WNPDFAMKCRACET-VGOVLVCLSA-N 1 3 310.388 2.867 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000182159617 427019678 /nfs/dbraw/zinc/01/96/78/427019678.db2.gz WNPDFAMKCRACET-VGOVLVCLSA-N 1 3 310.388 2.867 20 0 DFADHO CCN1CCN(CCC[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000292041978 427065502 /nfs/dbraw/zinc/06/55/02/427065502.db2.gz ZLUUFAVISUJAQY-UHFFFAOYSA-N 1 3 315.505 2.683 20 0 DFADHO C[NH+]1CCC(Oc2ccc(CNCc3ccncc3)cc2)CC1 ZINC000283829536 427084825 /nfs/dbraw/zinc/08/48/25/427084825.db2.gz FCGUZECKKFKVLX-UHFFFAOYSA-N 1 3 311.429 2.844 20 0 DFADHO CC1=CC[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CC1 ZINC000283863706 427089006 /nfs/dbraw/zinc/08/90/06/427089006.db2.gz BQQDQQGPOSHJHE-GOSISDBHSA-N 1 3 314.477 2.682 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000268701081 427092901 /nfs/dbraw/zinc/09/29/01/427092901.db2.gz FPJVMZIHNPHZHE-FPAYPSAMSA-N 1 3 301.478 2.579 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000268701081 427092907 /nfs/dbraw/zinc/09/29/07/427092907.db2.gz FPJVMZIHNPHZHE-FPAYPSAMSA-N 1 3 301.478 2.579 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000268701081 427092909 /nfs/dbraw/zinc/09/29/09/427092909.db2.gz FPJVMZIHNPHZHE-FPAYPSAMSA-N 1 3 301.478 2.579 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CC[C@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000249274609 427102381 /nfs/dbraw/zinc/10/23/81/427102381.db2.gz JTFUIEIKABOBRH-ZHALLVOQSA-N 1 3 324.509 2.767 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)[C@@H]3CCCC[C@H]32)CC1 ZINC000249297987 427103178 /nfs/dbraw/zinc/10/31/78/427103178.db2.gz RMSOVXWODOKRKQ-CEXWTWQISA-N 1 3 307.526 2.913 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)[C@@H]3CCCC[C@H]32)CC1 ZINC000249297987 427103182 /nfs/dbraw/zinc/10/31/82/427103182.db2.gz RMSOVXWODOKRKQ-CEXWTWQISA-N 1 3 307.526 2.913 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)CN1CCCC1)CC2 ZINC000162602143 271085125 /nfs/dbraw/zinc/08/51/25/271085125.db2.gz CIEQWQVUBWLBIU-MAUKXSAKSA-N 1 3 302.462 2.874 20 0 DFADHO CC1CCN([C@H](CNC(=O)C(C)(C)C[NH3+])c2cccs2)CC1 ZINC000163575814 271091246 /nfs/dbraw/zinc/09/12/46/271091246.db2.gz DQYNWGWTZAUOPB-CQSZACIVSA-N 1 3 323.506 2.622 20 0 DFADHO CC(C)[NH+](CCCNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)C(C)C ZINC000174097672 271127319 /nfs/dbraw/zinc/12/73/19/271127319.db2.gz CUXOCBVJEXLEFE-BBWFWOEESA-N 1 3 311.514 2.873 20 0 DFADHO C[C@H]1CCCCN1CCC[NH2+]CCCNC(=O)OC(C)(C)C ZINC000227403589 271236020 /nfs/dbraw/zinc/23/60/20/271236020.db2.gz PVFOVDNZHLCHGH-HNNXBMFYSA-N 1 3 313.486 2.755 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCNCCCNC(=O)OC(C)(C)C ZINC000227403589 271236024 /nfs/dbraw/zinc/23/60/24/271236024.db2.gz PVFOVDNZHLCHGH-HNNXBMFYSA-N 1 3 313.486 2.755 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCNCCCNC(=O)OC(C)(C)C ZINC000227403589 271236028 /nfs/dbraw/zinc/23/60/28/271236028.db2.gz PVFOVDNZHLCHGH-HNNXBMFYSA-N 1 3 313.486 2.755 20 0 DFADHO CCC[C@](C)([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000262314847 271271130 /nfs/dbraw/zinc/27/11/30/271271130.db2.gz PACFBRGSHPANPV-CJNGLKHVSA-N 1 3 309.479 2.519 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000333343543 271371456 /nfs/dbraw/zinc/37/14/56/271371456.db2.gz YQBKPTMPUQULAC-XNDRKVBMSA-N 1 3 313.445 2.679 20 0 DFADHO C[C@H]1C[C@H](CCNCc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000338201056 427189038 /nfs/dbraw/zinc/18/90/38/427189038.db2.gz YFASCWTWAFDBIR-WMZOPIPTSA-N 1 3 312.461 2.810 20 0 DFADHO C[C@H]1C[C@H](CCNCc2cnn(C)c2)C[N@H+]1Cc1ccccc1 ZINC000338201056 427189042 /nfs/dbraw/zinc/18/90/42/427189042.db2.gz YFASCWTWAFDBIR-WMZOPIPTSA-N 1 3 312.461 2.810 20 0 DFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000183237363 427229907 /nfs/dbraw/zinc/22/99/07/427229907.db2.gz MPNHODGFYCDKDZ-HUUCEWRRSA-N 1 3 311.470 2.508 20 0 DFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCCC[NH+]1CCCC1 ZINC000183237363 427229912 /nfs/dbraw/zinc/22/99/12/427229912.db2.gz MPNHODGFYCDKDZ-HUUCEWRRSA-N 1 3 311.470 2.508 20 0 DFADHO Cc1ccncc1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000269602683 427230405 /nfs/dbraw/zinc/23/04/05/427230405.db2.gz WLCSJDZLZVTROQ-CALCHBBNSA-N 1 3 317.477 2.711 20 0 DFADHO Cc1ccncc1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000269602683 427230417 /nfs/dbraw/zinc/23/04/17/427230417.db2.gz WLCSJDZLZVTROQ-CALCHBBNSA-N 1 3 317.477 2.711 20 0 DFADHO COc1ccc(CN2CCC(C[NH2+]CC3(C)COC3)CC2)cc1 ZINC000285465440 427240890 /nfs/dbraw/zinc/24/08/90/427240890.db2.gz NHMAWZRNUGVVQS-UHFFFAOYSA-N 1 3 318.461 2.533 20 0 DFADHO C(CO[C@@H]1CCCCO1)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000338314198 427255053 /nfs/dbraw/zinc/25/50/53/427255053.db2.gz IKUZNTIVMNGUTF-ZWKOTPCHSA-N 1 3 310.482 2.728 20 0 DFADHO C(CO[C@@H]1CCCCO1)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000338314198 427255058 /nfs/dbraw/zinc/25/50/58/427255058.db2.gz IKUZNTIVMNGUTF-ZWKOTPCHSA-N 1 3 310.482 2.728 20 0 DFADHO c1cc(N2CCN(CCC[NH2+]C[C@H]3CC=CCC3)CC2)ccn1 ZINC000269766749 427272866 /nfs/dbraw/zinc/27/28/66/427272866.db2.gz MYLKCXLSJVSAID-SFHVURJKSA-N 1 3 314.477 2.540 20 0 DFADHO C[C@@H](CCCC[NH3+])NC(=O)c1cccc(CN2CCCC2)c1 ZINC000293413774 427317833 /nfs/dbraw/zinc/31/78/33/427317833.db2.gz NGVRIIVCTYNRNX-HNNXBMFYSA-N 1 3 303.450 2.530 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cnn(C(C)C)c1C ZINC000191333948 427322949 /nfs/dbraw/zinc/32/29/49/427322949.db2.gz OJZOMVLAVPGYQB-HOCLYGCPSA-N 1 3 310.486 2.780 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)CN(C)C ZINC000293351969 427293838 /nfs/dbraw/zinc/29/38/38/427293838.db2.gz HACBNOZELXMTAF-ZIFCJYIRSA-N 1 3 303.494 2.684 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H](OC)c2ccccc2)C1 ZINC000338549512 427374861 /nfs/dbraw/zinc/37/48/61/427374861.db2.gz RRQOQEFNCRZPPN-RBUKOAKNSA-N 1 3 320.477 2.807 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1cc(C(F)(F)F)ccn1 ZINC000293626489 427385338 /nfs/dbraw/zinc/38/53/38/427385338.db2.gz GEKVDGLHCHSTAK-JMSVASOKSA-N 1 3 315.383 2.961 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1cc(C(F)(F)F)ccn1 ZINC000293626489 427385347 /nfs/dbraw/zinc/38/53/47/427385347.db2.gz GEKVDGLHCHSTAK-JMSVASOKSA-N 1 3 315.383 2.961 20 0 DFADHO CCn1nccc1CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000338573266 427389593 /nfs/dbraw/zinc/38/95/93/427389593.db2.gz UFBILZKXCUUKSI-JKSUJKDBSA-N 1 3 304.482 2.688 20 0 DFADHO CCn1nccc1CCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338573266 427389600 /nfs/dbraw/zinc/38/96/00/427389600.db2.gz UFBILZKXCUUKSI-JKSUJKDBSA-N 1 3 304.482 2.688 20 0 DFADHO CCn1nccc1CCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338573266 427389616 /nfs/dbraw/zinc/38/96/16/427389616.db2.gz UFBILZKXCUUKSI-JKSUJKDBSA-N 1 3 304.482 2.688 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1cccc(C(F)(F)F)n1 ZINC000293635035 427391898 /nfs/dbraw/zinc/39/18/98/427391898.db2.gz GUTIYFXLAXKEBD-YRGRVCCFSA-N 1 3 315.383 2.961 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1cccc(C(F)(F)F)n1 ZINC000293635035 427391906 /nfs/dbraw/zinc/39/19/06/427391906.db2.gz GUTIYFXLAXKEBD-YRGRVCCFSA-N 1 3 315.383 2.961 20 0 DFADHO COc1ccc(F)c(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000293728263 427415746 /nfs/dbraw/zinc/41/57/46/427415746.db2.gz ZBGIVVNJDFQNSJ-GASCZTMLSA-N 1 3 324.440 2.813 20 0 DFADHO CC(C)[C@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)c2ccccc21 ZINC000278793785 427456291 /nfs/dbraw/zinc/45/62/91/427456291.db2.gz QOQSUKPLRXHMAH-MSOLQXFVSA-N 1 3 302.462 2.917 20 0 DFADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc([S@@](C)=O)cc1 ZINC000278797408 427456505 /nfs/dbraw/zinc/45/65/05/427456505.db2.gz QWCGQDYKNCMQRG-VRLALDKJSA-N 1 3 306.475 2.700 20 0 DFADHO C[C@H]1C[N@H+](CCCN[C@H]2CCc3c2cccc3F)CCCO1 ZINC000278809571 427461002 /nfs/dbraw/zinc/46/10/02/427461002.db2.gz ZOAAQJGAQZRFOS-KSSFIOAISA-N 1 3 306.425 2.904 20 0 DFADHO C[C@H]1C[N@@H+](CCCN[C@H]2CCc3c2cccc3F)CCCO1 ZINC000278809571 427461006 /nfs/dbraw/zinc/46/10/06/427461006.db2.gz ZOAAQJGAQZRFOS-KSSFIOAISA-N 1 3 306.425 2.904 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CSC2(C)C)[C@@H](C)C1 ZINC000338785130 427488271 /nfs/dbraw/zinc/48/82/71/427488271.db2.gz JMDLNFFNCCXSDA-SOUVJXGZSA-N 1 3 300.512 2.607 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CSC2(C)C)[C@@H](C)C1 ZINC000338785130 427488275 /nfs/dbraw/zinc/48/82/75/427488275.db2.gz JMDLNFFNCCXSDA-SOUVJXGZSA-N 1 3 300.512 2.607 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000184465401 427467143 /nfs/dbraw/zinc/46/71/43/427467143.db2.gz HSHYUOHEACEXJJ-QXCZDIPSSA-N 1 3 314.473 2.646 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000184465401 427467150 /nfs/dbraw/zinc/46/71/50/427467150.db2.gz HSHYUOHEACEXJJ-QXCZDIPSSA-N 1 3 314.473 2.646 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000184465401 427467154 /nfs/dbraw/zinc/46/71/54/427467154.db2.gz HSHYUOHEACEXJJ-QXCZDIPSSA-N 1 3 314.473 2.646 20 0 DFADHO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000293872102 427472202 /nfs/dbraw/zinc/47/22/02/427472202.db2.gz YGCPONLMJIQDKU-RSRPTUBKSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@H]1OCC[C@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000293872102 427472209 /nfs/dbraw/zinc/47/22/09/427472209.db2.gz YGCPONLMJIQDKU-RSRPTUBKSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@H]1OCC[C@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000293872102 427472214 /nfs/dbraw/zinc/47/22/14/427472214.db2.gz YGCPONLMJIQDKU-RSRPTUBKSA-N 1 3 300.446 2.664 20 0 DFADHO CO[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C1CC1 ZINC000293754004 427426772 /nfs/dbraw/zinc/42/67/72/427426772.db2.gz QPFYLSAVAXFFFF-IYWMVGAKSA-N 1 3 314.473 2.912 20 0 DFADHO CO[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000293754004 427426779 /nfs/dbraw/zinc/42/67/79/427426779.db2.gz QPFYLSAVAXFFFF-IYWMVGAKSA-N 1 3 314.473 2.912 20 0 DFADHO CO[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000293754004 427426785 /nfs/dbraw/zinc/42/67/85/427426785.db2.gz QPFYLSAVAXFFFF-IYWMVGAKSA-N 1 3 314.473 2.912 20 0 DFADHO Cc1cncc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000184325364 427436731 /nfs/dbraw/zinc/43/67/31/427436731.db2.gz JYERLNJRTNSYEV-ZACQAIPSSA-N 1 3 305.466 2.930 20 0 DFADHO C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)CN(C)C ZINC000293805723 427442371 /nfs/dbraw/zinc/44/23/71/427442371.db2.gz VHXJBYPSSQKAJB-FRYIKTPZSA-N 1 3 315.505 2.969 20 0 DFADHO CCC[N@H+](C)C[C@@H]1CCN(CCN(C)Cc2ccccc2)C1 ZINC000278686002 427445479 /nfs/dbraw/zinc/44/54/79/427445479.db2.gz RZTIVAKDRKXVDE-IBGZPJMESA-N 1 3 303.494 2.782 20 0 DFADHO CCC[N@@H+](C)C[C@@H]1CCN(CCN(C)Cc2ccccc2)C1 ZINC000278686002 427445488 /nfs/dbraw/zinc/44/54/88/427445488.db2.gz RZTIVAKDRKXVDE-IBGZPJMESA-N 1 3 303.494 2.782 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H]3CCCC34CCOCC4)CC2)ccn1 ZINC000298162220 427525793 /nfs/dbraw/zinc/52/57/93/427525793.db2.gz SQVJTYSHSYPYAN-GOSISDBHSA-N 1 3 315.461 2.989 20 0 DFADHO C[C@@H](CN1CCC[C@H](C)C1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298233399 427543132 /nfs/dbraw/zinc/54/31/32/427543132.db2.gz BMVBLQNSDKCBEP-IRXDYDNUSA-N 1 3 316.493 2.760 20 0 DFADHO CN(CCN1CCC[C@@H]1C[NH+]1CCCC1)Cc1ccccc1 ZINC000279080395 427553654 /nfs/dbraw/zinc/55/36/54/427553654.db2.gz ACGIGNADPKJFEN-LJQANCHMSA-N 1 3 301.478 2.679 20 0 DFADHO C[C@H]1COCC[C@H]1[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000192520745 427557934 /nfs/dbraw/zinc/55/79/34/427557934.db2.gz LQNJHXHICZXZCA-WMLDXEAASA-N 1 3 308.491 2.975 20 0 DFADHO Cc1ccncc1[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000271511796 427566219 /nfs/dbraw/zinc/56/62/19/427566219.db2.gz NWUZLNWQMPXRBM-ZYSHUDEJSA-N 1 3 317.477 2.809 20 0 DFADHO C[C@@H](O)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298369558 427584892 /nfs/dbraw/zinc/58/48/92/427584892.db2.gz KRINMYYVJGMBFV-OAHLLOKOSA-N 1 3 311.429 2.894 20 0 DFADHO CC[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)N(C)C ZINC000338966053 427596402 /nfs/dbraw/zinc/59/64/02/427596402.db2.gz KXNNSFYPALSPFW-MAUKXSAKSA-N 1 3 317.477 2.668 20 0 DFADHO C[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCC[C@@H](C)C1 ZINC000298434685 427607014 /nfs/dbraw/zinc/60/70/14/427607014.db2.gz NEVXBUDGECUHQU-IAGOWNOFSA-N 1 3 316.493 2.760 20 0 DFADHO Cc1cccc2c(N[C@@H](C)CN3CCN(C)CC3)c(C)c[nH+]c12 ZINC000185302217 427628806 /nfs/dbraw/zinc/62/88/06/427628806.db2.gz FQGGWADVICERJI-INIZCTEOSA-N 1 3 312.461 2.899 20 0 DFADHO CN(C)[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)c1ccccc1 ZINC000185352218 427639806 /nfs/dbraw/zinc/63/98/06/427639806.db2.gz OSHUFPLKOHPQRZ-QGZVFWFLSA-N 1 3 317.477 2.705 20 0 DFADHO C[C@@H]1C[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)CC(C)(C)C1 ZINC000333554744 427647239 /nfs/dbraw/zinc/64/72/39/427647239.db2.gz JZHWLSUMCLBIPY-TZMCWYRMSA-N 1 3 305.470 2.576 20 0 DFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)N1CCCCCC1)CC2 ZINC000342561504 272024728 /nfs/dbraw/zinc/02/47/28/272024728.db2.gz BEFWRSKVXIAZCR-KSZLIROESA-N 1 3 321.509 2.725 20 0 DFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)N1CCCCCC1)CC2 ZINC000342561504 272024731 /nfs/dbraw/zinc/02/47/31/272024731.db2.gz BEFWRSKVXIAZCR-KSZLIROESA-N 1 3 321.509 2.725 20 0 DFADHO C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000342763365 272051931 /nfs/dbraw/zinc/05/19/31/272051931.db2.gz ZJJNQEZPRIHCHJ-SJORKVTESA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1C[N@H+](C)C[C@@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000342902702 272065720 /nfs/dbraw/zinc/06/57/20/272065720.db2.gz PFDIXGWKALXHFR-PBHICJAKSA-N 1 3 305.491 2.597 20 0 DFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000342902702 272065722 /nfs/dbraw/zinc/06/57/22/272065722.db2.gz PFDIXGWKALXHFR-PBHICJAKSA-N 1 3 305.491 2.597 20 0 DFADHO Cc1cccc(C)c1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000342928047 272067270 /nfs/dbraw/zinc/06/72/70/272067270.db2.gz PMNWLHRIMBMBTJ-BHIYHBOVSA-N 1 3 302.462 2.987 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)N[C@H](C)CC)CC1 ZINC000343045773 272078790 /nfs/dbraw/zinc/07/87/90/272078790.db2.gz OFJVFKXFINQVBJ-CVEARBPZSA-N 1 3 311.514 2.734 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)N[C@H](C)CC)CC1 ZINC000343045773 272078794 /nfs/dbraw/zinc/07/87/94/272078794.db2.gz OFJVFKXFINQVBJ-CVEARBPZSA-N 1 3 311.514 2.734 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000343046136 272079152 /nfs/dbraw/zinc/07/91/52/272079152.db2.gz QIBKMSKWBRFPAX-QGZVFWFLSA-N 1 3 323.525 2.831 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000343046136 272079154 /nfs/dbraw/zinc/07/91/54/272079154.db2.gz QIBKMSKWBRFPAX-QGZVFWFLSA-N 1 3 323.525 2.831 20 0 DFADHO CCc1cc(N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)c2ccccc2n1 ZINC000343299285 272115067 /nfs/dbraw/zinc/11/50/67/272115067.db2.gz BDZGILDLYMDDOK-HOTGVXAUSA-N 1 3 313.445 2.953 20 0 DFADHO CCc1cc(N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)c2ccccc2n1 ZINC000343299285 272115069 /nfs/dbraw/zinc/11/50/69/272115069.db2.gz BDZGILDLYMDDOK-HOTGVXAUSA-N 1 3 313.445 2.953 20 0 DFADHO CN(C)CC[N@H+](C)CCCN(C)Cc1ccc(Cl)s1 ZINC000344028322 272251542 /nfs/dbraw/zinc/25/15/42/272251542.db2.gz MYWXABMTRMSQJK-UHFFFAOYSA-N 1 3 303.903 2.717 20 0 DFADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1ccc(Cl)s1 ZINC000344028322 272251545 /nfs/dbraw/zinc/25/15/45/272251545.db2.gz MYWXABMTRMSQJK-UHFFFAOYSA-N 1 3 303.903 2.717 20 0 DFADHO CN(CCCN(C)Cc1ccc(Cl)s1)CC[NH+](C)C ZINC000344028322 272251548 /nfs/dbraw/zinc/25/15/48/272251548.db2.gz MYWXABMTRMSQJK-UHFFFAOYSA-N 1 3 303.903 2.717 20 0 DFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1cccc(F)c1 ZINC000344118426 272267868 /nfs/dbraw/zinc/26/78/68/272267868.db2.gz BVUHFJUYZYSGDR-UHFFFAOYSA-N 1 3 307.457 2.675 20 0 DFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1cccc(F)c1 ZINC000344118426 272267869 /nfs/dbraw/zinc/26/78/69/272267869.db2.gz BVUHFJUYZYSGDR-UHFFFAOYSA-N 1 3 307.457 2.675 20 0 DFADHO CC1(C)[C@@H](O)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193313628 427683318 /nfs/dbraw/zinc/68/33/18/427683318.db2.gz MCBIZNMAKSZKKG-JEQQUTEPSA-N 1 3 314.473 2.931 20 0 DFADHO CC1(C)[C@@H](O)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193313628 427683321 /nfs/dbraw/zinc/68/33/21/427683321.db2.gz MCBIZNMAKSZKKG-JEQQUTEPSA-N 1 3 314.473 2.931 20 0 DFADHO CC[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)N(CC)CC ZINC000344518770 272333389 /nfs/dbraw/zinc/33/33/89/272333389.db2.gz BXWXQXKBGMESPW-IRXDYDNUSA-N 1 3 311.514 2.735 20 0 DFADHO CC[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)N(CC)CC ZINC000344518770 272333390 /nfs/dbraw/zinc/33/33/90/272333390.db2.gz BXWXQXKBGMESPW-IRXDYDNUSA-N 1 3 311.514 2.735 20 0 DFADHO CCC[C@H](NCCN1CCC([NH+](C)C)CC1)c1cccnc1 ZINC000185647683 427685450 /nfs/dbraw/zinc/68/54/50/427685450.db2.gz NOWSSWVXTSBHBZ-SFHVURJKSA-N 1 3 304.482 2.538 20 0 DFADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287779731 427690965 /nfs/dbraw/zinc/69/09/65/427690965.db2.gz NIQXZEUZFQEABD-SJORKVTESA-N 1 3 310.869 2.660 20 0 DFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287779731 427690968 /nfs/dbraw/zinc/69/09/68/427690968.db2.gz NIQXZEUZFQEABD-SJORKVTESA-N 1 3 310.869 2.660 20 0 DFADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)C1CCN(CC(F)(F)F)CC1 ZINC000339162417 427710677 /nfs/dbraw/zinc/71/06/77/427710677.db2.gz BSBIKBXMLIKPKZ-ZFWWWQNUSA-N 1 3 321.431 2.723 20 0 DFADHO CCc1nocc1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000339339388 427757336 /nfs/dbraw/zinc/75/73/36/427757336.db2.gz UPLKBPKGZASRMH-UHFFFAOYSA-N 1 3 300.406 2.638 20 0 DFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300201767 427772096 /nfs/dbraw/zinc/77/20/96/427772096.db2.gz AMTPKTXKWARXFK-FXUDXRNXSA-N 1 3 323.481 2.649 20 0 DFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300201767 427772098 /nfs/dbraw/zinc/77/20/98/427772098.db2.gz AMTPKTXKWARXFK-FXUDXRNXSA-N 1 3 323.481 2.649 20 0 DFADHO c1ccc(CCCO[C@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000339427847 427773077 /nfs/dbraw/zinc/77/30/77/427773077.db2.gz DZNIPFUCSRVSBP-MOPGFXCFSA-N 1 3 302.462 2.710 20 0 DFADHO CN(CC[C@H]1CCC[N@@H+]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336704734 427748135 /nfs/dbraw/zinc/74/81/35/427748135.db2.gz GVLCLJCBBJUPLP-MOPGFXCFSA-N 1 3 301.478 2.677 20 0 DFADHO CN(CC[C@H]1CCC[N@H+]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336704734 427748138 /nfs/dbraw/zinc/74/81/38/427748138.db2.gz GVLCLJCBBJUPLP-MOPGFXCFSA-N 1 3 301.478 2.677 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)COC(C)C)[C@@H](C)C1 ZINC000337328686 427845278 /nfs/dbraw/zinc/84/52/78/427845278.db2.gz FBKNYFUWGJSNFQ-BBWFWOEESA-N 1 3 300.487 2.527 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)COC(C)C)[C@@H](C)C1 ZINC000337328686 427845281 /nfs/dbraw/zinc/84/52/81/427845281.db2.gz FBKNYFUWGJSNFQ-BBWFWOEESA-N 1 3 300.487 2.527 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000340500311 427864817 /nfs/dbraw/zinc/86/48/17/427864817.db2.gz RIAMAXVVJPZEGB-ZJPYXAASSA-N 1 3 321.509 2.725 20 0 DFADHO COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000340537557 427874115 /nfs/dbraw/zinc/87/41/15/427874115.db2.gz UYGJRNYBNVYESE-OAHLLOKOSA-N 1 3 320.477 2.546 20 0 DFADHO C[NH+]1CCC(C)(CNCc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000355775235 427885682 /nfs/dbraw/zinc/88/56/82/427885682.db2.gz PMKBWMNZGYEUFQ-AWEZNQCLSA-N 1 3 309.479 2.816 20 0 DFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000355823687 427909228 /nfs/dbraw/zinc/90/92/28/427909228.db2.gz YXUZNICJNUBNEP-CVEARBPZSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000355823687 427909232 /nfs/dbraw/zinc/90/92/32/427909232.db2.gz YXUZNICJNUBNEP-CVEARBPZSA-N 1 3 317.477 2.741 20 0 DFADHO CC[N@H+](CCC1CCN(C[C@@H](O)C(F)(F)F)CC1)CC1CC1 ZINC000359570625 427917321 /nfs/dbraw/zinc/91/73/21/427917321.db2.gz IXWRFUTYDZXEIS-OAHLLOKOSA-N 1 3 322.415 2.744 20 0 DFADHO CC[N@@H+](CCC1CCN(C[C@@H](O)C(F)(F)F)CC1)CC1CC1 ZINC000359570625 427917325 /nfs/dbraw/zinc/91/73/25/427917325.db2.gz IXWRFUTYDZXEIS-OAHLLOKOSA-N 1 3 322.415 2.744 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000337469175 427921003 /nfs/dbraw/zinc/92/10/03/427921003.db2.gz OPIRZWUTSFKONL-GJZGRUSLSA-N 1 3 321.431 2.675 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000337469175 427921007 /nfs/dbraw/zinc/92/10/07/427921007.db2.gz OPIRZWUTSFKONL-GJZGRUSLSA-N 1 3 321.431 2.675 20 0 DFADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)[C@@]1(C)CCCO1 ZINC000340212675 427954909 /nfs/dbraw/zinc/95/49/09/427954909.db2.gz IZVFGBZUAHCAME-MAUKXSAKSA-N 1 3 306.450 2.674 20 0 DFADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000359697170 427976626 /nfs/dbraw/zinc/97/66/26/427976626.db2.gz QTVQYTSTRBVFEJ-QGZVFWFLSA-N 1 3 304.482 2.748 20 0 DFADHO CN1CC[C@@H]([NH2+]CCCN2CCCC2)C[C@H]1c1ccccc1 ZINC000340183131 427948496 /nfs/dbraw/zinc/94/84/96/427948496.db2.gz VFULALGSNKKQKB-MOPGFXCFSA-N 1 3 301.478 2.897 20 0 DFADHO Cn1ccnc1C[C@@H]1CCC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000340919340 427952666 /nfs/dbraw/zinc/95/26/66/427952666.db2.gz YFAWJYLKQZRYMD-DLBZAZTESA-N 1 3 304.482 2.549 20 0 DFADHO Cn1ccnc1C[C@@H]1CCC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000340919340 427952674 /nfs/dbraw/zinc/95/26/74/427952674.db2.gz YFAWJYLKQZRYMD-DLBZAZTESA-N 1 3 304.482 2.549 20 0 DFADHO Cn1ccnc1C[C@@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000340919340 427952680 /nfs/dbraw/zinc/95/26/80/427952680.db2.gz YFAWJYLKQZRYMD-DLBZAZTESA-N 1 3 304.482 2.549 20 0 DFADHO Cn1ccnc1C[C@@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000340919340 427952686 /nfs/dbraw/zinc/95/26/86/427952686.db2.gz YFAWJYLKQZRYMD-DLBZAZTESA-N 1 3 304.482 2.549 20 0 DFADHO Cn1ccnc1C[C@@H]1CCC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000340919353 427954292 /nfs/dbraw/zinc/95/42/92/427954292.db2.gz YFAWJYLKQZRYMD-IRXDYDNUSA-N 1 3 304.482 2.549 20 0 DFADHO Cn1ccnc1C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000340919353 427954298 /nfs/dbraw/zinc/95/42/98/427954298.db2.gz YFAWJYLKQZRYMD-IRXDYDNUSA-N 1 3 304.482 2.549 20 0 DFADHO Cn1ccnc1C[C@@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000340919353 427954304 /nfs/dbraw/zinc/95/43/04/427954304.db2.gz YFAWJYLKQZRYMD-IRXDYDNUSA-N 1 3 304.482 2.549 20 0 DFADHO Cn1ccnc1C[C@@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000340919353 427954308 /nfs/dbraw/zinc/95/43/08/427954308.db2.gz YFAWJYLKQZRYMD-IRXDYDNUSA-N 1 3 304.482 2.549 20 0 DFADHO Cc1cc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC000369733514 428046606 /nfs/dbraw/zinc/04/66/06/428046606.db2.gz ZDDHMQQEZNMLIY-MAUKXSAKSA-N 1 3 313.449 2.643 20 0 DFADHO C[N@@H+]1CCC[C@H]2CN(Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000346170993 428050575 /nfs/dbraw/zinc/05/05/75/428050575.db2.gz NOAMEHLEBHYNIK-WMLDXEAASA-N 1 3 316.474 2.850 20 0 DFADHO C[N@H+]1CCC[C@H]2CN(Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000346170993 428050580 /nfs/dbraw/zinc/05/05/80/428050580.db2.gz NOAMEHLEBHYNIK-WMLDXEAASA-N 1 3 316.474 2.850 20 0 DFADHO CN1CCC[C@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000346170993 428050584 /nfs/dbraw/zinc/05/05/84/428050584.db2.gz NOAMEHLEBHYNIK-WMLDXEAASA-N 1 3 316.474 2.850 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000346170993 428050587 /nfs/dbraw/zinc/05/05/87/428050587.db2.gz NOAMEHLEBHYNIK-WMLDXEAASA-N 1 3 316.474 2.850 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000369558282 427998976 /nfs/dbraw/zinc/99/89/76/427998976.db2.gz CIQABAYFCHOXII-VVLHAWIVSA-N 1 3 304.482 2.909 20 0 DFADHO CN(C)CCOCC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000340367103 428001348 /nfs/dbraw/zinc/00/13/48/428001348.db2.gz STTHTIFTCXPFMX-KRWDZBQOSA-N 1 3 310.869 2.829 20 0 DFADHO CC1=C[C@H](C)C[C@H](CN2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000356054963 428003529 /nfs/dbraw/zinc/00/35/29/428003529.db2.gz BZAYUGHXSUKZOK-HKUYNNGSSA-N 1 3 305.510 2.692 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H](NCC3=CCCOC3)C[C@@H]2C2CC2)cc1 ZINC000376824993 428006950 /nfs/dbraw/zinc/00/69/50/428006950.db2.gz ZMXGHGVOQPIJHF-VQTJNVASSA-N 1 3 312.457 2.976 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H](NCC3=CCCOC3)C[C@@H]2C2CC2)cc1 ZINC000376824993 428006958 /nfs/dbraw/zinc/00/69/58/428006958.db2.gz ZMXGHGVOQPIJHF-VQTJNVASSA-N 1 3 312.457 2.976 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000356233446 428080313 /nfs/dbraw/zinc/08/03/13/428080313.db2.gz OMSKCXQJQRGZPR-LJQANCHMSA-N 1 3 323.525 2.833 20 0 DFADHO CCN1CCC([NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)CC1 ZINC000359968448 428098845 /nfs/dbraw/zinc/09/88/45/428098845.db2.gz PXMCXOCXRDHFTA-KRWDZBQOSA-N 1 3 305.466 2.799 20 0 DFADHO CN1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@@H]1c1ccccc1 ZINC000377358323 428114032 /nfs/dbraw/zinc/11/40/32/428114032.db2.gz NCVYLYLYVCSZKI-NWJVMNJYSA-N 1 3 313.489 2.894 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000351860494 428114257 /nfs/dbraw/zinc/11/42/57/428114257.db2.gz ISVCTVPWCGDRJJ-WCQYABFASA-N 1 3 320.824 2.602 20 0 DFADHO C[C@@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(C)(C)n1cncn1 ZINC000377394061 428119946 /nfs/dbraw/zinc/11/99/46/428119946.db2.gz SRVCSUKEHKLKLK-NVXWUHKLSA-N 1 3 319.497 2.788 20 0 DFADHO C[C@@H](NC[C@H]1CCC[N@H+]1C1CCCCC1)C(C)(C)n1cncn1 ZINC000377394061 428119951 /nfs/dbraw/zinc/11/99/51/428119951.db2.gz SRVCSUKEHKLKLK-NVXWUHKLSA-N 1 3 319.497 2.788 20 0 DFADHO CC(C)[C@H](CNC(=[NH2+])N1CCC(C)CC1)N1CCC(C)CC1 ZINC000341635889 428134669 /nfs/dbraw/zinc/13/46/69/428134669.db2.gz QFYRXYZDLWELJN-KRWDZBQOSA-N 1 3 308.514 2.999 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000346360635 428140460 /nfs/dbraw/zinc/14/04/60/428140460.db2.gz JGLAFRRCRFZMPF-WCIQWLHISA-N 1 3 314.473 2.913 20 0 DFADHO [NH3+]CCCN(Cc1ccc2c(c1)OCCO2)CC1CCCC1 ZINC000352539761 428141501 /nfs/dbraw/zinc/14/15/01/428141501.db2.gz CMCFWIIGTHLQEL-UHFFFAOYSA-N 1 3 304.434 2.799 20 0 DFADHO CC1CCN(C(=[NH2+])NCC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000341609067 428129088 /nfs/dbraw/zinc/12/90/88/428129088.db2.gz CROMOLONTFTRBK-HZPDHXFCSA-N 1 3 308.514 2.999 20 0 DFADHO CC[C@@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccc(F)cn1 ZINC000352553687 428146967 /nfs/dbraw/zinc/14/69/67/428146967.db2.gz DBVAODIUWHJSOA-QGZVFWFLSA-N 1 3 322.472 2.679 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000346374797 428147233 /nfs/dbraw/zinc/14/72/33/428147233.db2.gz BMJCPZGBDREXHA-GDBMZVCRSA-N 1 3 303.450 2.725 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000346374797 428147238 /nfs/dbraw/zinc/14/72/38/428147238.db2.gz BMJCPZGBDREXHA-GDBMZVCRSA-N 1 3 303.450 2.725 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCC[C@@H]1C ZINC000346424614 428167709 /nfs/dbraw/zinc/16/77/09/428167709.db2.gz DLQHUPQAPSZNEY-RCCFBDPRSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCC[C@@H]1C ZINC000346424614 428167715 /nfs/dbraw/zinc/16/77/15/428167715.db2.gz DLQHUPQAPSZNEY-RCCFBDPRSA-N 1 3 323.525 2.687 20 0 DFADHO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000377622486 428173759 /nfs/dbraw/zinc/17/37/59/428173759.db2.gz GRRUUWWTUQBPGQ-LJQANCHMSA-N 1 3 301.478 2.595 20 0 DFADHO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000377622486 428173761 /nfs/dbraw/zinc/17/37/61/428173761.db2.gz GRRUUWWTUQBPGQ-LJQANCHMSA-N 1 3 301.478 2.595 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000352770614 428240851 /nfs/dbraw/zinc/24/08/51/428240851.db2.gz NEUZNUPYPRCJBV-CGTJXYLNSA-N 1 3 322.880 2.832 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000352770614 428240855 /nfs/dbraw/zinc/24/08/55/428240855.db2.gz NEUZNUPYPRCJBV-CGTJXYLNSA-N 1 3 322.880 2.832 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000352770614 428240859 /nfs/dbraw/zinc/24/08/59/428240859.db2.gz NEUZNUPYPRCJBV-CGTJXYLNSA-N 1 3 322.880 2.832 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000352770614 428240863 /nfs/dbraw/zinc/24/08/63/428240863.db2.gz NEUZNUPYPRCJBV-CGTJXYLNSA-N 1 3 322.880 2.832 20 0 DFADHO C[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000414140138 428218433 /nfs/dbraw/zinc/21/84/33/428218433.db2.gz IUPLBFFCHPWLNZ-VQIMIIECSA-N 1 3 316.489 2.990 20 0 DFADHO C[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000414140138 428218438 /nfs/dbraw/zinc/21/84/38/428218438.db2.gz IUPLBFFCHPWLNZ-VQIMIIECSA-N 1 3 316.489 2.990 20 0 DFADHO Cc1cn[nH]c1CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000377764854 428222223 /nfs/dbraw/zinc/22/22/23/428222223.db2.gz ZKTXPZHILCVTBK-FGTMMUONSA-N 1 3 310.445 2.718 20 0 DFADHO Cc1cn[nH]c1CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000377764854 428222227 /nfs/dbraw/zinc/22/22/27/428222227.db2.gz ZKTXPZHILCVTBK-FGTMMUONSA-N 1 3 310.445 2.718 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000341863266 428232952 /nfs/dbraw/zinc/23/29/52/428232952.db2.gz NGVNSWDRLRJIGB-BBWFWOEESA-N 1 3 311.514 2.876 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCN[C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000414203562 428233939 /nfs/dbraw/zinc/23/39/39/428233939.db2.gz ZMAHWBZBQSELPU-BBRMVZONSA-N 1 3 319.424 2.921 20 0 DFADHO C[N@H+]1CCC[C@@H](CCN[C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000414203562 428233942 /nfs/dbraw/zinc/23/39/42/428233942.db2.gz ZMAHWBZBQSELPU-BBRMVZONSA-N 1 3 319.424 2.921 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)/C=C/CN(C)C)CC1 ZINC000370550202 428239039 /nfs/dbraw/zinc/23/90/39/428239039.db2.gz UJYDQOXFRDJKAX-DBWMJRBXSA-N 1 3 321.509 2.607 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)/C=C/CN(C)C)CC1 ZINC000370550202 428239043 /nfs/dbraw/zinc/23/90/43/428239043.db2.gz UJYDQOXFRDJKAX-DBWMJRBXSA-N 1 3 321.509 2.607 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@H](C(C)C)[NH+]2CCCC2)cn1 ZINC000414075254 428198786 /nfs/dbraw/zinc/19/87/86/428198786.db2.gz XNEMSQLFKZHOMZ-NVXWUHKLSA-N 1 3 305.466 2.731 20 0 DFADHO CC[C@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1ccc(F)cn1 ZINC000352685269 428204277 /nfs/dbraw/zinc/20/42/77/428204277.db2.gz SWAHRUPSNMKVCE-RDJZCZTQSA-N 1 3 322.472 2.535 20 0 DFADHO c1[nH]nc2c1CC[C@@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000370660739 428266910 /nfs/dbraw/zinc/26/69/10/428266910.db2.gz CQWMORROZRDLCZ-MRXNPFEDSA-N 1 3 302.466 2.654 20 0 DFADHO c1[nH]nc2c1CC[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000370660739 428266916 /nfs/dbraw/zinc/26/69/16/428266916.db2.gz CQWMORROZRDLCZ-MRXNPFEDSA-N 1 3 302.466 2.654 20 0 DFADHO CCN1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000414347446 428267786 /nfs/dbraw/zinc/26/77/86/428267786.db2.gz QZUUIDOFWBHLMA-HAGHYFMRSA-N 1 3 313.489 2.866 20 0 DFADHO CCN1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414347446 428267792 /nfs/dbraw/zinc/26/77/92/428267792.db2.gz QZUUIDOFWBHLMA-HAGHYFMRSA-N 1 3 313.489 2.866 20 0 DFADHO CCN1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414347446 428267797 /nfs/dbraw/zinc/26/77/97/428267797.db2.gz QZUUIDOFWBHLMA-HAGHYFMRSA-N 1 3 313.489 2.866 20 0 DFADHO [NH3+]CC1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000346685604 428273681 /nfs/dbraw/zinc/27/36/81/428273681.db2.gz ILOFEQTULQBZRW-UHFFFAOYSA-N 1 3 304.825 2.696 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000352855615 428280906 /nfs/dbraw/zinc/28/09/06/428280906.db2.gz TVYBCNJZKCPXFF-MJGOQNOKSA-N 1 3 307.526 2.986 20 0 DFADHO CCN1CC[C@@H]([NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)C1 ZINC000414330930 428261135 /nfs/dbraw/zinc/26/11/35/428261135.db2.gz CKUQEFACDPWXJH-YLJYHZDGSA-N 1 3 315.505 2.766 20 0 DFADHO CCN1CC[C@@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000414330930 428261139 /nfs/dbraw/zinc/26/11/39/428261139.db2.gz CKUQEFACDPWXJH-YLJYHZDGSA-N 1 3 315.505 2.766 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000346804834 428323635 /nfs/dbraw/zinc/32/36/35/428323635.db2.gz YFFWIWOAPVDYML-FRQCXROJSA-N 1 3 319.493 2.760 20 0 DFADHO C[C@](O)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CC1 ZINC000356838372 428331019 /nfs/dbraw/zinc/33/10/19/428331019.db2.gz ILTDXSOJMQTPKJ-NBYUQASBSA-N 1 3 314.473 2.648 20 0 DFADHO CN(CCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCC[NH2+]C1 ZINC000346829516 428334985 /nfs/dbraw/zinc/33/49/85/428334985.db2.gz VKUASZRDRNFVLH-MRXNPFEDSA-N 1 3 312.461 2.941 20 0 DFADHO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCCNC1 ZINC000346829516 428334991 /nfs/dbraw/zinc/33/49/91/428334991.db2.gz VKUASZRDRNFVLH-MRXNPFEDSA-N 1 3 312.461 2.941 20 0 DFADHO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCCNC1 ZINC000346829516 428334995 /nfs/dbraw/zinc/33/49/95/428334995.db2.gz VKUASZRDRNFVLH-MRXNPFEDSA-N 1 3 312.461 2.941 20 0 DFADHO C[C@]1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCOC1 ZINC000356840450 428335313 /nfs/dbraw/zinc/33/53/13/428335313.db2.gz FLTZJFRJZSOUGP-IYWMVGAKSA-N 1 3 314.473 2.913 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000342180068 428338417 /nfs/dbraw/zinc/33/84/17/428338417.db2.gz APZNYALTUMAUBH-UHFFFAOYSA-N 1 3 323.525 2.833 20 0 DFADHO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(C)(C)N ZINC000346841732 428341255 /nfs/dbraw/zinc/34/12/55/428341255.db2.gz HANKOWRXFYKFIM-UHFFFAOYSA-N 1 3 304.413 2.818 20 0 DFADHO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(C)(C)N ZINC000346841732 428341258 /nfs/dbraw/zinc/34/12/58/428341258.db2.gz HANKOWRXFYKFIM-UHFFFAOYSA-N 1 3 304.413 2.818 20 0 DFADHO CCOc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346841269 428341367 /nfs/dbraw/zinc/34/13/67/428341367.db2.gz GYXDZZWTTKLMLP-JYJNAYRXSA-N 1 3 304.434 2.653 20 0 DFADHO CC[N@H+](CCC1CCN(C(=O)CN(C)C(C)C)CC1)CC1CC1 ZINC000356889413 428352282 /nfs/dbraw/zinc/35/22/82/428352282.db2.gz FBAGUMXZZPGEAQ-UHFFFAOYSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@@H+](CCC1CCN(C(=O)CN(C)C(C)C)CC1)CC1CC1 ZINC000356889413 428352289 /nfs/dbraw/zinc/35/22/89/428352289.db2.gz FBAGUMXZZPGEAQ-UHFFFAOYSA-N 1 3 323.525 2.687 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc(OCC(F)(F)F)c1 ZINC000414794832 428413978 /nfs/dbraw/zinc/41/39/78/428413978.db2.gz MGIREYYDDMCENS-OCCSQVGLSA-N 1 3 302.340 2.845 20 0 DFADHO CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@@H]1CCCNC1 ZINC000346987350 428396413 /nfs/dbraw/zinc/39/64/13/428396413.db2.gz SJJKPNMDFUJLLR-GOSISDBHSA-N 1 3 316.493 2.620 20 0 DFADHO CC[N@@H+](CC1CCN(c2ccccn2)CC1)C[C@@H]1CCCNC1 ZINC000346987350 428396417 /nfs/dbraw/zinc/39/64/17/428396417.db2.gz SJJKPNMDFUJLLR-GOSISDBHSA-N 1 3 316.493 2.620 20 0 DFADHO CC(C)Oc1cccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414774692 428400375 /nfs/dbraw/zinc/40/03/75/428400375.db2.gz FTFUWGXSXVFXGX-QGZVFWFLSA-N 1 3 318.461 2.661 20 0 DFADHO c1cc(-c2n[nH]cc2CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414774626 428401873 /nfs/dbraw/zinc/40/18/73/428401873.db2.gz FMZVKKUSAIMANY-ZIAGYGMSSA-N 1 3 316.474 2.960 20 0 DFADHO C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414785431 428407522 /nfs/dbraw/zinc/40/75/22/428407522.db2.gz SRCYOHSVIBSTEQ-SJLPKXTDSA-N 1 3 302.462 2.553 20 0 DFADHO C[C@H](Cc1ccccc1)C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414785431 428407528 /nfs/dbraw/zinc/40/75/28/428407528.db2.gz SRCYOHSVIBSTEQ-SJLPKXTDSA-N 1 3 302.462 2.553 20 0 DFADHO Cc1cc(C)c(C[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1C ZINC000414783969 428407753 /nfs/dbraw/zinc/40/77/53/428407753.db2.gz ICPCCXQIWSQVEC-GOSISDBHSA-N 1 3 302.462 2.799 20 0 DFADHO Cc1cc(C)c(C[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1C ZINC000414783969 428407757 /nfs/dbraw/zinc/40/77/57/428407757.db2.gz ICPCCXQIWSQVEC-GOSISDBHSA-N 1 3 302.462 2.799 20 0 DFADHO c1[nH]c(-c2ccccc2)nc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789268 428409760 /nfs/dbraw/zinc/40/97/60/428409760.db2.gz YHKNACVJYJHUHW-DLBZAZTESA-N 1 3 310.445 2.898 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000414788820 428410946 /nfs/dbraw/zinc/41/09/46/428410946.db2.gz NJQBHKZALDKAND-ZSCXUVNLSA-N 1 3 304.409 2.667 20 0 DFADHO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC000371107445 428362151 /nfs/dbraw/zinc/36/21/51/428362151.db2.gz OCQVFEDFLNDUKF-LJQANCHMSA-N 1 3 312.461 2.870 20 0 DFADHO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000371107445 428362154 /nfs/dbraw/zinc/36/21/54/428362154.db2.gz OCQVFEDFLNDUKF-LJQANCHMSA-N 1 3 312.461 2.870 20 0 DFADHO CC[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C1(C(=O)OC)CCC1 ZINC000346894717 428362952 /nfs/dbraw/zinc/36/29/52/428362952.db2.gz YTIOJEHBNHWTAT-JKSUJKDBSA-N 1 3 310.482 2.962 20 0 DFADHO CC[C@@H](NCC[C@H](C)[NH+]1CCCCC1)C1(C(=O)OC)CCC1 ZINC000346894717 428362955 /nfs/dbraw/zinc/36/29/55/428362955.db2.gz YTIOJEHBNHWTAT-JKSUJKDBSA-N 1 3 310.482 2.962 20 0 DFADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000414680602 428373672 /nfs/dbraw/zinc/37/36/72/428373672.db2.gz ZAAWOIIXIXJILU-ZDUSSCGKSA-N 1 3 316.424 2.879 20 0 DFADHO Cc1cccc(NC(=O)CN(C)C[C@@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000414677033 428373946 /nfs/dbraw/zinc/37/39/46/428373946.db2.gz ODPSSLKIAYICIM-GOEBONIOSA-N 1 3 303.450 2.562 20 0 DFADHO Cc1cc(C)c(NC(=O)CN(C)C[C@@H]2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000414675777 428374080 /nfs/dbraw/zinc/37/40/80/428374080.db2.gz MMZAUESVNINGBE-IAGOWNOFSA-N 1 3 317.477 2.870 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](CC)OC)CC1 ZINC000353070303 428374226 /nfs/dbraw/zinc/37/42/26/428374226.db2.gz HHVKJGAMLVUQDI-SFHVURJKSA-N 1 3 319.493 2.733 20 0 DFADHO CC(C)[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(F)c(F)c1 ZINC000342268092 428376814 /nfs/dbraw/zinc/37/68/14/428376814.db2.gz QHDLWTSDHMQNQR-PBHICJAKSA-N 1 3 312.404 2.708 20 0 DFADHO CCC[C@@](C)(N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000353090104 428382855 /nfs/dbraw/zinc/38/28/55/428382855.db2.gz RYFZSGPUYGCPDX-LJQANCHMSA-N 1 3 317.477 2.806 20 0 DFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC2CCN(C)CC2)C1 ZINC000346957806 428384800 /nfs/dbraw/zinc/38/48/00/428384800.db2.gz DQTLDROAAPQHHG-INIZCTEOSA-N 1 3 323.525 2.735 20 0 DFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2CCN(C)CC2)C1 ZINC000346957806 428384805 /nfs/dbraw/zinc/38/48/05/428384805.db2.gz DQTLDROAAPQHHG-INIZCTEOSA-N 1 3 323.525 2.735 20 0 DFADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000414728111 428387308 /nfs/dbraw/zinc/38/73/08/428387308.db2.gz CADXRCGJVLKTDR-JKSUJKDBSA-N 1 3 303.450 2.711 20 0 DFADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000414728111 428387312 /nfs/dbraw/zinc/38/73/12/428387312.db2.gz CADXRCGJVLKTDR-JKSUJKDBSA-N 1 3 303.450 2.711 20 0 DFADHO CSC1(CNCc2cc(F)ccc2F)CC[NH+](C)CC1 ZINC000353225957 428438022 /nfs/dbraw/zinc/43/80/22/428438022.db2.gz YHRUQAJXKHQYND-UHFFFAOYSA-N 1 3 300.418 2.882 20 0 DFADHO C[C@H](CC[NH3+])NCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414894399 428449952 /nfs/dbraw/zinc/44/99/52/428449952.db2.gz LHGKWEXUPYNDDY-OAHLLOKOSA-N 1 3 321.428 2.761 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+]C[C@@]2(C)CCCNC2)cc1F ZINC000414899623 428450403 /nfs/dbraw/zinc/45/04/03/428450403.db2.gz CPRIFKMMYVGLJQ-KSSFIOAISA-N 1 3 308.441 2.992 20 0 DFADHO C[C@H]([NH2+]CCOC(F)(F)F)c1ccc(OCCN(C)C)cc1 ZINC000353251929 428450708 /nfs/dbraw/zinc/45/07/08/428450708.db2.gz RMWALUQLODOQCK-LBPRGKRZSA-N 1 3 320.355 2.814 20 0 DFADHO C[C@H](NCCOC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000353251929 428450713 /nfs/dbraw/zinc/45/07/13/428450713.db2.gz RMWALUQLODOQCK-LBPRGKRZSA-N 1 3 320.355 2.814 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+]C[C@]2(C)CCCNC2)cc1O ZINC000414899239 428450875 /nfs/dbraw/zinc/45/08/75/428450875.db2.gz CIUIDACSYLBBMW-KBXCAEBGSA-N 1 3 306.450 2.701 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379655313 428451168 /nfs/dbraw/zinc/45/11/68/428451168.db2.gz LLCUFQLWCSCUJD-QZTJIDSGSA-N 1 3 317.477 2.531 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@@]2(C)CCCNC2)cc1OC ZINC000414918993 428457332 /nfs/dbraw/zinc/45/73/32/428457332.db2.gz VQYMIGZOORWDPV-KSSFIOAISA-N 1 3 306.450 2.614 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000414918993 428457336 /nfs/dbraw/zinc/45/73/36/428457336.db2.gz VQYMIGZOORWDPV-KSSFIOAISA-N 1 3 306.450 2.614 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414920374 428457513 /nfs/dbraw/zinc/45/75/13/428457513.db2.gz ZEWUPMRDWNIBSZ-GUYCJALGSA-N 1 3 307.413 2.522 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414920374 428457516 /nfs/dbraw/zinc/45/75/16/428457516.db2.gz ZEWUPMRDWNIBSZ-GUYCJALGSA-N 1 3 307.413 2.522 20 0 DFADHO COc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1OC(F)F ZINC000414797791 428415584 /nfs/dbraw/zinc/41/55/84/428415584.db2.gz PNXNTRYXSRIDCH-RYUDHWBXSA-N 1 3 300.349 2.514 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414799095 428416028 /nfs/dbraw/zinc/41/60/28/428416028.db2.gz JKUVDTASYLXOCW-VQIMIIECSA-N 1 3 319.468 2.550 20 0 DFADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000414797361 428416429 /nfs/dbraw/zinc/41/64/29/428416429.db2.gz IOGOOVZVCRNRTM-DYVFJYSZSA-N 1 3 303.450 2.854 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000414800143 428416816 /nfs/dbraw/zinc/41/68/16/428416816.db2.gz RVAHKBRZLIRYGM-TZMCWYRMSA-N 1 3 310.825 2.718 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)N ZINC000414803187 428417033 /nfs/dbraw/zinc/41/70/33/428417033.db2.gz LWHOGXOFSZUGJK-SNVBAGLBSA-N 1 3 317.355 2.749 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414798534 428417161 /nfs/dbraw/zinc/41/71/61/428417161.db2.gz JKUVDTASYLXOCW-APWZRJJASA-N 1 3 319.468 2.550 20 0 DFADHO CCCC[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000414811913 428417612 /nfs/dbraw/zinc/41/76/12/428417612.db2.gz JUFFMVZCWDGYCC-DZGCQCFKSA-N 1 3 307.438 2.519 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414811046 428417940 /nfs/dbraw/zinc/41/79/40/428417940.db2.gz VZFUKIZCTARTSI-KBMXLJTQSA-N 1 3 304.434 2.844 20 0 DFADHO CC(C)n1ncc2cc(CN[C@H]3CCCC[C@H]3C[NH3+])cnc21 ZINC000414809819 428418901 /nfs/dbraw/zinc/41/89/01/428418901.db2.gz UOFRIAYZJUIPKP-HOCLYGCPSA-N 1 3 301.438 2.619 20 0 DFADHO CCc1noc(C2CCC([NH2+]CC3=CCN(C)CC3)CC2)n1 ZINC000378518061 428419562 /nfs/dbraw/zinc/41/95/62/428419562.db2.gz GVDZMBKMJCMLEM-UHFFFAOYSA-N 1 3 304.438 2.510 20 0 DFADHO C[C@H]([NH3+])CCN[C@@H](C)Cc1ccc(Br)cc1F ZINC000414825185 428424143 /nfs/dbraw/zinc/42/41/43/428424143.db2.gz SBWZKOILDDPERT-UWVGGRQHSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@H](N)CC[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414825185 428424147 /nfs/dbraw/zinc/42/41/47/428424147.db2.gz SBWZKOILDDPERT-UWVGGRQHSA-N 1 3 303.219 2.846 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)NC[C@H]1CCC[NH2+]C1 ZINC000414826896 428425557 /nfs/dbraw/zinc/42/55/57/428425557.db2.gz JXYREXZNOCAZNN-CABCVRRESA-N 1 3 303.450 2.555 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000414826896 428425560 /nfs/dbraw/zinc/42/55/60/428425560.db2.gz JXYREXZNOCAZNN-CABCVRRESA-N 1 3 303.450 2.555 20 0 DFADHO COc1ccc(OC)c(CNCC2(SC)CC[NH+](C)CC2)c1 ZINC000353191951 428426021 /nfs/dbraw/zinc/42/60/21/428426021.db2.gz LLSXEBXDSJDDHC-UHFFFAOYSA-N 1 3 324.490 2.621 20 0 DFADHO COc1ccc(CC[C@@H](C)NCC2([NH3+])CCCCC2)cc1O ZINC000414836042 428426711 /nfs/dbraw/zinc/42/67/11/428426711.db2.gz FDJSBERKODUGQC-CQSZACIVSA-N 1 3 306.450 2.973 20 0 DFADHO Fc1cc(Br)ccc1CNCC[C@@H]1CC[NH2+]C1 ZINC000414829947 428427832 /nfs/dbraw/zinc/42/78/32/428427832.db2.gz LKAAUXDLSPOPPM-JTQLQIEISA-N 1 3 301.203 2.677 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CNCCC3(F)F)CC2)C1 ZINC000414991135 428482604 /nfs/dbraw/zinc/48/26/04/428482604.db2.gz AJUAGSUUMYUDCJ-VNQPRFMTSA-N 1 3 315.452 2.616 20 0 DFADHO CCOc1c(CNC[C@H]2CCC[C@H]([NH3+])C2)c(C)nn1CC(C)C ZINC000414999746 428485171 /nfs/dbraw/zinc/48/51/71/428485171.db2.gz SGOZFLXFENSKRF-HOTGVXAUSA-N 1 3 322.497 2.853 20 0 DFADHO Cc1nn2c(CN[C@H](C)CCCC[NH3+])c(C(C)C)nc2s1 ZINC000415012551 428488217 /nfs/dbraw/zinc/48/82/17/428488217.db2.gz JJHZIYOOFUZISE-LLVKDONJSA-N 1 3 309.483 2.830 20 0 DFADHO CC(C)C[C@@H](N[C@@H](C)c1cccc(F)c1)C(=O)NCC[NH+](C)C ZINC000347193879 428488699 /nfs/dbraw/zinc/48/86/99/428488699.db2.gz JKUIMPXYDLZRNW-WMLDXEAASA-N 1 3 323.456 2.569 20 0 DFADHO C[C@@H]1C[C@@H](N[C@H]2CNCCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000415008012 428489134 /nfs/dbraw/zinc/48/91/34/428489134.db2.gz VLJKWJHOFMYBPG-PVAVHDDUSA-N 1 3 323.431 2.626 20 0 DFADHO C[C@@H]1C[C@@H](N[C@H]2CNCCC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000415008012 428489138 /nfs/dbraw/zinc/48/91/38/428489138.db2.gz VLJKWJHOFMYBPG-PVAVHDDUSA-N 1 3 323.431 2.626 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000347195829 428490030 /nfs/dbraw/zinc/49/00/30/428490030.db2.gz HGIWYICXNBIMHB-UHFFFAOYSA-N 1 3 304.434 2.669 20 0 DFADHO C[C@H](CCCC[NH3+])NCc1cc(O)ccc1Br ZINC000415017486 428490844 /nfs/dbraw/zinc/49/08/44/428490844.db2.gz RZDWHRLWJUGLFZ-SNVBAGLBSA-N 1 3 301.228 2.762 20 0 DFADHO C[C@H](CCC[NH3+])NCc1c(F)ccc(Br)c1F ZINC000415019329 428490974 /nfs/dbraw/zinc/49/09/74/428490974.db2.gz IAAZQIWKWHJUBB-MRVPVSSYSA-N 1 3 307.182 2.944 20 0 DFADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CNCCCO1 ZINC000415030433 428492737 /nfs/dbraw/zinc/49/27/37/428492737.db2.gz CKFNMTPUIXVOGC-RYUDHWBXSA-N 1 3 302.871 2.691 20 0 DFADHO c1cnn(-c2cccc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2)c1 ZINC000415037690 428496775 /nfs/dbraw/zinc/49/67/75/428496775.db2.gz HDBHADHTINBRJS-IEBWSBKVSA-N 1 3 310.445 2.836 20 0 DFADHO CC(C)N(C)CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000360933046 428496836 /nfs/dbraw/zinc/49/68/36/428496836.db2.gz IDNJGWJLJCIGHD-HKUYNNGSSA-N 1 3 303.494 2.827 20 0 DFADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC[C@H]2C[NH2+]CCCO2)C1 ZINC000415041589 428497561 /nfs/dbraw/zinc/49/75/61/428497561.db2.gz PMVGKYFICYGNNJ-WZGPROSRSA-N 1 3 302.462 2.927 20 0 DFADHO Fc1ccc(/C=C/CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415132999 428531255 /nfs/dbraw/zinc/53/12/55/428531255.db2.gz BOWJLWXPAVYHRM-MNSDHWDNSA-N 1 3 316.420 2.539 20 0 DFADHO O=c1[nH]c2ccccc2cc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415053655 428501688 /nfs/dbraw/zinc/50/16/88/428501688.db2.gz OZCYIRZPEAMJJY-CRAIPNDOSA-N 1 3 311.429 2.904 20 0 DFADHO c1ccc([C@@H]2CNC[C@H]2[NH2+]CCCc2ccc3c(c2)CCO3)cc1 ZINC000415054620 428504989 /nfs/dbraw/zinc/50/49/89/428504989.db2.gz QEBQRUMKDBIUCI-VQTJNVASSA-N 1 3 322.452 2.899 20 0 DFADHO [NH3+]CC1(O)CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000397004741 428507142 /nfs/dbraw/zinc/50/71/42/428507142.db2.gz JYDGLHUWEJLFDP-UHFFFAOYSA-N 1 3 312.413 2.765 20 0 DFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000415068457 428509244 /nfs/dbraw/zinc/50/92/44/428509244.db2.gz RBJXEBCARVAHSZ-SUMWQHHRSA-N 1 3 319.449 2.519 20 0 DFADHO COCc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1F ZINC000353386188 428514246 /nfs/dbraw/zinc/51/42/46/428514246.db2.gz LPVFAOHKCFETMI-JQHSSLGASA-N 1 3 306.425 2.935 20 0 DFADHO COCc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1F ZINC000353386188 428514252 /nfs/dbraw/zinc/51/42/52/428514252.db2.gz LPVFAOHKCFETMI-JQHSSLGASA-N 1 3 306.425 2.935 20 0 DFADHO COCc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)ccc1F ZINC000353386188 428514257 /nfs/dbraw/zinc/51/42/57/428514257.db2.gz LPVFAOHKCFETMI-JQHSSLGASA-N 1 3 306.425 2.935 20 0 DFADHO CC(C)([NH3+])CN[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000415087506 428515054 /nfs/dbraw/zinc/51/50/54/428515054.db2.gz UUIGSJQMOBKMQU-CQSZACIVSA-N 1 3 313.848 2.770 20 0 DFADHO CC(C)CC(=O)N1CCC(N[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000415085769 428515623 /nfs/dbraw/zinc/51/56/23/428515623.db2.gz QUZBRVMGWQKPEV-FUHWJXTLSA-N 1 3 323.525 2.924 20 0 DFADHO C[C@H](N[C@H]1CCCN(c2ccccc2Cl)C1)[C@@H]1CC[NH2+]C1 ZINC000415090813 428515900 /nfs/dbraw/zinc/51/59/00/428515900.db2.gz ZQIJZSGEBUBFDR-ZNMIVQPWSA-N 1 3 307.869 2.896 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000398084365 428518248 /nfs/dbraw/zinc/51/82/48/428518248.db2.gz SXNMURRJYRLERS-DOTOQJQBSA-N 1 3 317.477 2.531 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000398052115 428518440 /nfs/dbraw/zinc/51/84/40/428518440.db2.gz GHSNASDCFISWEH-MISYRCLQSA-N 1 3 315.505 2.971 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H]2CCC[C@H]21 ZINC000353402449 428520112 /nfs/dbraw/zinc/52/01/12/428520112.db2.gz JACXNCVHVAXUKE-HSALFYBXSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)[C@H]2CCC[C@H]21 ZINC000353402449 428520117 /nfs/dbraw/zinc/52/01/17/428520117.db2.gz JACXNCVHVAXUKE-HSALFYBXSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)[C@H]2CCC[C@H]21 ZINC000353402449 428520119 /nfs/dbraw/zinc/52/01/19/428520119.db2.gz JACXNCVHVAXUKE-HSALFYBXSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@@H+]1CC[C@H](NCCNC(=O)CC2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000353399704 428521791 /nfs/dbraw/zinc/52/17/91/428521791.db2.gz CUCXBABKKBHXPB-BZSNNMDCSA-N 1 3 321.509 2.535 20 0 DFADHO C[N@H+]1CC[C@H](NCCNC(=O)CC2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000353399704 428521792 /nfs/dbraw/zinc/52/17/92/428521792.db2.gz CUCXBABKKBHXPB-BZSNNMDCSA-N 1 3 321.509 2.535 20 0 DFADHO C[C@H](Cc1ccccc1Br)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000415115307 428523994 /nfs/dbraw/zinc/52/39/94/428523994.db2.gz GXZPAHXQPDVPHB-BZPMIXESSA-N 1 3 311.267 2.968 20 0 DFADHO CN(Cc1cnc2ccc(Cl)cn12)CC1CC[NH+](C)CC1 ZINC000353423695 428532017 /nfs/dbraw/zinc/53/20/17/428532017.db2.gz RFWIMFMSOQTGBA-UHFFFAOYSA-N 1 3 306.841 2.761 20 0 DFADHO CCOc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415118704 428526096 /nfs/dbraw/zinc/52/60/96/428526096.db2.gz DVXGFLBJGQIEFV-RBUKOAKNSA-N 1 3 318.461 2.804 20 0 DFADHO CCCc1cccc(CN2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000415120412 428527406 /nfs/dbraw/zinc/52/74/06/428527406.db2.gz FXNBTDNGUILHFV-GOSISDBHSA-N 1 3 313.449 2.526 20 0 DFADHO CCCc1cccc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000415120412 428527410 /nfs/dbraw/zinc/52/74/10/428527410.db2.gz FXNBTDNGUILHFV-GOSISDBHSA-N 1 3 313.449 2.526 20 0 DFADHO CCCc1cccc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000415120412 428527412 /nfs/dbraw/zinc/52/74/12/428527412.db2.gz FXNBTDNGUILHFV-GOSISDBHSA-N 1 3 313.449 2.526 20 0 DFADHO CCN1CCN(c2ccc(NC[C@H]([NH3+])CC(C)C)c(C)c2)CC1 ZINC000415122990 428528805 /nfs/dbraw/zinc/52/88/05/428528805.db2.gz OWQYZIJSNFNTEQ-QGZVFWFLSA-N 1 3 318.509 2.922 20 0 DFADHO CCOc1ccccc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415121999 428529766 /nfs/dbraw/zinc/52/97/66/428529766.db2.gz JBGCYUSNIRUXAT-IEBWSBKVSA-N 1 3 318.461 2.804 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)CCc2ccccc2)C[C@H]1C ZINC000347441577 428580310 /nfs/dbraw/zinc/58/03/10/428580310.db2.gz PCPAZOPTUVCFJF-NEWSRXKRSA-N 1 3 304.478 2.785 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)CCc2ccccc2)C[C@H]1C ZINC000347441577 428580314 /nfs/dbraw/zinc/58/03/14/428580314.db2.gz PCPAZOPTUVCFJF-NEWSRXKRSA-N 1 3 304.478 2.785 20 0 DFADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)[C@H]1c1cccs1 ZINC000361718244 428590389 /nfs/dbraw/zinc/59/03/89/428590389.db2.gz MEFNSMFZCGSMIG-AEGPPILISA-N 1 3 323.506 2.621 20 0 DFADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)[C@H]1c1cccs1 ZINC000361718244 428590394 /nfs/dbraw/zinc/59/03/94/428590394.db2.gz MEFNSMFZCGSMIG-AEGPPILISA-N 1 3 323.506 2.621 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H]2CCC[C@H]21 ZINC000353439350 428536119 /nfs/dbraw/zinc/53/61/19/428536119.db2.gz WRSLWCZLDRNOTQ-SLFFLAALSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)[C@@H]2CCC[C@H]21 ZINC000353439350 428536123 /nfs/dbraw/zinc/53/61/23/428536123.db2.gz WRSLWCZLDRNOTQ-SLFFLAALSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)[C@@H]2CCC[C@H]21 ZINC000353439350 428536127 /nfs/dbraw/zinc/53/61/27/428536127.db2.gz WRSLWCZLDRNOTQ-SLFFLAALSA-N 1 3 324.472 2.894 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353454989 428544293 /nfs/dbraw/zinc/54/42/93/428544293.db2.gz NBWYLIVALMNSSD-NCXUSEDFSA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353454989 428544296 /nfs/dbraw/zinc/54/42/96/428544296.db2.gz NBWYLIVALMNSSD-NCXUSEDFSA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353454989 428544297 /nfs/dbraw/zinc/54/42/97/428544297.db2.gz NBWYLIVALMNSSD-NCXUSEDFSA-N 1 3 319.468 2.891 20 0 DFADHO CN(CCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353456684 428544370 /nfs/dbraw/zinc/54/43/70/428544370.db2.gz WFTAPSKLBFCPSO-AQNXPRMDSA-N 1 3 315.505 2.971 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1cccc(F)c1 ZINC000353460269 428544797 /nfs/dbraw/zinc/54/47/97/428544797.db2.gz KQDPKXVKBSSYCX-AKHDSKFASA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1cccc(F)c1 ZINC000353460269 428544803 /nfs/dbraw/zinc/54/48/03/428544803.db2.gz KQDPKXVKBSSYCX-AKHDSKFASA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)c1cccc(F)c1 ZINC000353460269 428544808 /nfs/dbraw/zinc/54/48/08/428544808.db2.gz KQDPKXVKBSSYCX-AKHDSKFASA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353454991 428545957 /nfs/dbraw/zinc/54/59/57/428545957.db2.gz NBWYLIVALMNSSD-ZSYWTGECSA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353454991 428545961 /nfs/dbraw/zinc/54/59/61/428545961.db2.gz NBWYLIVALMNSSD-ZSYWTGECSA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353454991 428545968 /nfs/dbraw/zinc/54/59/68/428545968.db2.gz NBWYLIVALMNSSD-ZSYWTGECSA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1cccc(F)c1 ZINC000353460270 428548670 /nfs/dbraw/zinc/54/86/70/428548670.db2.gz KQDPKXVKBSSYCX-NCXUSEDFSA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1cccc(F)c1 ZINC000353460270 428548673 /nfs/dbraw/zinc/54/86/73/428548673.db2.gz KQDPKXVKBSSYCX-NCXUSEDFSA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)c1cccc(F)c1 ZINC000353460270 428548677 /nfs/dbraw/zinc/54/86/77/428548677.db2.gz KQDPKXVKBSSYCX-NCXUSEDFSA-N 1 3 319.468 2.891 20 0 DFADHO Brc1ccccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400979148 428550413 /nfs/dbraw/zinc/55/04/13/428550413.db2.gz HTDCQMVOJHAYEY-FPMFFAJLSA-N 1 3 309.251 2.927 20 0 DFADHO C[C@@H](c1cnccn1)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000373352347 428553776 /nfs/dbraw/zinc/55/37/76/428553776.db2.gz DVHHIXIMXIPERB-LSDHHAIUSA-N 1 3 300.450 2.734 20 0 DFADHO C[C@@H](c1cnccn1)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000373352347 428553780 /nfs/dbraw/zinc/55/37/80/428553780.db2.gz DVHHIXIMXIPERB-LSDHHAIUSA-N 1 3 300.450 2.734 20 0 DFADHO CN(CCCO)C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000353473469 428554936 /nfs/dbraw/zinc/55/49/36/428554936.db2.gz RYFGDTUHFMUVNI-HKUYNNGSSA-N 1 3 302.462 2.569 20 0 DFADHO Cc1cncc(CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000402708800 428561178 /nfs/dbraw/zinc/56/11/78/428561178.db2.gz RJMJHNKAOUZYTJ-MJGOQNOKSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cncc(CCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000402708800 428561186 /nfs/dbraw/zinc/56/11/86/428561186.db2.gz RJMJHNKAOUZYTJ-MJGOQNOKSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cncc(CCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000402708800 428561191 /nfs/dbraw/zinc/56/11/91/428561191.db2.gz RJMJHNKAOUZYTJ-MJGOQNOKSA-N 1 3 324.472 2.828 20 0 DFADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)[C@@H]1CCN ZINC000404311290 428567278 /nfs/dbraw/zinc/56/72/78/428567278.db2.gz WPLXBCUCUYVLEB-XJKSGUPXSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)[C@@H]1CCN ZINC000404311290 428567283 /nfs/dbraw/zinc/56/72/83/428567283.db2.gz WPLXBCUCUYVLEB-XJKSGUPXSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@H]1CCCN(CCC(=O)Nc2cccc(F)c2)[C@@H]1CC[NH3+] ZINC000404311290 428567288 /nfs/dbraw/zinc/56/72/88/428567288.db2.gz WPLXBCUCUYVLEB-XJKSGUPXSA-N 1 3 307.413 2.604 20 0 DFADHO C[N@@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)[C@H]2CCC[C@@H]21 ZINC000353498746 428568665 /nfs/dbraw/zinc/56/86/65/428568665.db2.gz BLVMAXFSZVHFNQ-AABGKKOBSA-N 1 3 324.472 2.877 20 0 DFADHO C[N@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)[C@H]2CCC[C@@H]21 ZINC000353498746 428568674 /nfs/dbraw/zinc/56/86/74/428568674.db2.gz BLVMAXFSZVHFNQ-AABGKKOBSA-N 1 3 324.472 2.877 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H]2CCN(CC3CCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000353515268 428571816 /nfs/dbraw/zinc/57/18/16/428571816.db2.gz DGNLMMDKTKEXMB-YRXWBPOGSA-N 1 3 305.510 2.713 20 0 DFADHO COCCNc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000353513128 428572689 /nfs/dbraw/zinc/57/26/89/428572689.db2.gz FBEQMRSVUYKSTK-OTWHNJEPSA-N 1 3 317.477 2.707 20 0 DFADHO COCCNc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000353513128 428572693 /nfs/dbraw/zinc/57/26/93/428572693.db2.gz FBEQMRSVUYKSTK-OTWHNJEPSA-N 1 3 317.477 2.707 20 0 DFADHO C[C@@H]1C[C@H]1c1ccc(CN2CCC(OCC[NH+](C)C)CC2)o1 ZINC000353564525 428596369 /nfs/dbraw/zinc/59/63/69/428596369.db2.gz CSAQEACUONPNGE-RHSMWYFYSA-N 1 3 306.450 2.946 20 0 DFADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)N1CCC(C)CC1 ZINC000358628536 428613894 /nfs/dbraw/zinc/61/38/94/428613894.db2.gz KXPOMUWDTFMWAV-KRWDZBQOSA-N 1 3 323.525 2.735 20 0 DFADHO [NH3+]Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000415958979 428634558 /nfs/dbraw/zinc/63/45/58/428634558.db2.gz OPIQVNXYCKFDBU-GOSISDBHSA-N 1 3 324.428 2.541 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000415907125 428621931 /nfs/dbraw/zinc/62/19/31/428621931.db2.gz MODOEPYQSURERY-WMLDXEAASA-N 1 3 318.465 2.743 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000415907362 428622051 /nfs/dbraw/zinc/62/20/51/428622051.db2.gz MODOEPYQSURERY-YOEHRIQHSA-N 1 3 318.465 2.743 20 0 DFADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000415917228 428626717 /nfs/dbraw/zinc/62/67/17/428626717.db2.gz CJOCKFREMNBATP-MRXNPFEDSA-N 1 3 318.465 2.648 20 0 DFADHO C[C@@H]([NH2+]Cc1ccncc1OCCN(C)C)C1CCSCC1 ZINC000343934104 428596021 /nfs/dbraw/zinc/59/60/21/428596021.db2.gz NQIDFMGEMPYGOI-CQSZACIVSA-N 1 3 323.506 2.643 20 0 DFADHO COCC[C@H](COC)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000353649780 428639221 /nfs/dbraw/zinc/63/92/21/428639221.db2.gz ORFOPARTUMYOND-KBAYOESNSA-N 1 3 312.498 2.671 20 0 DFADHO CC(C)(C)CCN1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415983030 428641341 /nfs/dbraw/zinc/64/13/41/428641341.db2.gz YNFPIFMVYASEID-UHFFFAOYSA-N 1 3 318.465 2.731 20 0 DFADHO CC[N@H+](CCC1CCN([C@@H](C)C(=O)N(C)C)CC1)CC(C)C ZINC000358742470 428651490 /nfs/dbraw/zinc/65/14/90/428651490.db2.gz FFZXFQZODLPBTJ-INIZCTEOSA-N 1 3 311.514 2.543 20 0 DFADHO CC[N@@H+](CCC1CCN([C@@H](C)C(=O)N(C)C)CC1)CC(C)C ZINC000358742470 428651495 /nfs/dbraw/zinc/65/14/95/428651495.db2.gz FFZXFQZODLPBTJ-INIZCTEOSA-N 1 3 311.514 2.543 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000353658298 428644960 /nfs/dbraw/zinc/64/49/60/428644960.db2.gz KWLVRWFZNKVSEM-NXHRZFHOSA-N 1 3 324.472 2.767 20 0 DFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000362217160 428664694 /nfs/dbraw/zinc/66/46/94/428664694.db2.gz FQAPGUSJBBXVRF-FUHWJXTLSA-N 1 3 321.509 2.725 20 0 DFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000362217160 428664702 /nfs/dbraw/zinc/66/47/02/428664702.db2.gz FQAPGUSJBBXVRF-FUHWJXTLSA-N 1 3 321.509 2.725 20 0 DFADHO CN(C)[C@H](CC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000416253134 428703243 /nfs/dbraw/zinc/70/32/43/428703243.db2.gz QNPAYKVNJTYJBB-FUHWJXTLSA-N 1 3 317.477 2.528 20 0 DFADHO CN(C)[C@H](CC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000416253134 428703247 /nfs/dbraw/zinc/70/32/47/428703247.db2.gz QNPAYKVNJTYJBB-FUHWJXTLSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000344805171 428707935 /nfs/dbraw/zinc/70/79/35/428707935.db2.gz DKQSDAIRQBOWSJ-HZPDHXFCSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000344805171 428707939 /nfs/dbraw/zinc/70/79/39/428707939.db2.gz DKQSDAIRQBOWSJ-HZPDHXFCSA-N 1 3 309.498 2.630 20 0 DFADHO Cc1c[nH+]ccc1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000358916889 428729616 /nfs/dbraw/zinc/72/96/16/428729616.db2.gz UIIOBICOMZLURW-KRWDZBQOSA-N 1 3 313.470 2.841 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCc2cnn(C)c2)CC1 ZINC000348274252 428690861 /nfs/dbraw/zinc/69/08/61/428690861.db2.gz HCQMRAIFKXUZMC-KRWDZBQOSA-N 1 3 318.509 2.939 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCc2cnn(C)c2)CC1 ZINC000348274252 428690866 /nfs/dbraw/zinc/69/08/66/428690866.db2.gz HCQMRAIFKXUZMC-KRWDZBQOSA-N 1 3 318.509 2.939 20 0 DFADHO CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000344685293 428693987 /nfs/dbraw/zinc/69/39/87/428693987.db2.gz QNACRPOODYSCOU-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(CCN3CCCc4ccccc43)CC[C@H]21 ZINC000362471412 428759616 /nfs/dbraw/zinc/75/96/16/428759616.db2.gz RTFPNCSXUYPFJV-RTBURBONSA-N 1 3 313.489 2.855 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(CCN3CCCc4ccccc43)CC[C@H]21 ZINC000362471412 428759619 /nfs/dbraw/zinc/75/96/19/428759619.db2.gz RTFPNCSXUYPFJV-RTBURBONSA-N 1 3 313.489 2.855 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](CCN3CCCc4ccccc43)CC[C@H]21 ZINC000362471412 428759625 /nfs/dbraw/zinc/75/96/25/428759625.db2.gz RTFPNCSXUYPFJV-RTBURBONSA-N 1 3 313.489 2.855 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](CCN3CCCc4ccccc43)CC[C@H]21 ZINC000362471412 428759629 /nfs/dbraw/zinc/75/96/29/428759629.db2.gz RTFPNCSXUYPFJV-RTBURBONSA-N 1 3 313.489 2.855 20 0 DFADHO CC[C@H]1COCCN1CCC(C)CC[N@@H+]1CCOC[C@@H]1CC ZINC000411277183 428768666 /nfs/dbraw/zinc/76/86/66/428768666.db2.gz VQRMBMFNEANQMG-ROUUACIJSA-N 1 3 312.498 2.624 20 0 DFADHO CC[C@H]1COCCN1CCC(C)CC[N@H+]1CCOC[C@@H]1CC ZINC000411277183 428768670 /nfs/dbraw/zinc/76/86/70/428768670.db2.gz VQRMBMFNEANQMG-ROUUACIJSA-N 1 3 312.498 2.624 20 0 DFADHO Cc1nc(CO[C@H]2CC[N@@H+](CC[C@@H]3CCCN3C)C2)cs1 ZINC000374882040 428772704 /nfs/dbraw/zinc/77/27/04/428772704.db2.gz VIQPPOFRBMSJAR-HOTGVXAUSA-N 1 3 309.479 2.527 20 0 DFADHO Cc1nc(CO[C@H]2CC[N@H+](CC[C@@H]3CCCN3C)C2)cs1 ZINC000374882040 428772711 /nfs/dbraw/zinc/77/27/11/428772711.db2.gz VIQPPOFRBMSJAR-HOTGVXAUSA-N 1 3 309.479 2.527 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000362517122 428781611 /nfs/dbraw/zinc/78/16/11/428781611.db2.gz WJYGBFHCILWEOX-CYBMUJFWSA-N 1 3 313.848 2.595 20 0 DFADHO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000353941255 428786246 /nfs/dbraw/zinc/78/62/46/428786246.db2.gz FTNNBRLSJNTRGQ-PKOBYXMFSA-N 1 3 320.477 2.922 20 0 DFADHO CC(C)[C@@](C)(NCc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411726512 428849145 /nfs/dbraw/zinc/84/91/45/428849145.db2.gz KWKJUTGDMGEOLO-LJQANCHMSA-N 1 3 317.477 2.662 20 0 DFADHO CC(C)N(C)CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000363061078 428851390 /nfs/dbraw/zinc/85/13/90/428851390.db2.gz HRICDOQTOJZHSJ-INIZCTEOSA-N 1 3 317.477 2.668 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000411445479 428800983 /nfs/dbraw/zinc/80/09/83/428800983.db2.gz NALNVIZNWFAWQQ-INIZCTEOSA-N 1 3 317.477 2.555 20 0 DFADHO CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)NC1CCN(CC)CC1 ZINC000411522184 428812145 /nfs/dbraw/zinc/81/21/45/428812145.db2.gz VRWYCAOGRMZWHO-DOTOQJQBSA-N 1 3 309.498 2.535 20 0 DFADHO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000375171240 428816260 /nfs/dbraw/zinc/81/62/60/428816260.db2.gz NMCVMRQBPWRWPH-IAGOWNOFSA-N 1 3 321.465 2.757 20 0 DFADHO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000375171240 428816263 /nfs/dbraw/zinc/81/62/63/428816263.db2.gz NMCVMRQBPWRWPH-IAGOWNOFSA-N 1 3 321.465 2.757 20 0 DFADHO O[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC12CC2 ZINC000411573619 428819277 /nfs/dbraw/zinc/81/92/77/428819277.db2.gz SLDQIXUQCYFYQW-GOSISDBHSA-N 1 3 300.446 2.629 20 0 DFADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)CC1CCN(C)CC1 ZINC000362952298 428820630 /nfs/dbraw/zinc/82/06/30/428820630.db2.gz QQGURKIKZLAWQC-MSOLQXFVSA-N 1 3 323.525 2.735 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CC1CCN(C)CC1 ZINC000362952300 428821024 /nfs/dbraw/zinc/82/10/24/428821024.db2.gz QQGURKIKZLAWQC-ROUUACIJSA-N 1 3 323.525 2.735 20 0 DFADHO C[NH+](C)CCOCCNCc1ccc(-c2ccccc2F)o1 ZINC000354197390 428910065 /nfs/dbraw/zinc/91/00/65/428910065.db2.gz ZPDCWABXJSMIIV-UHFFFAOYSA-N 1 3 306.381 2.754 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(OC)c(C)c2)C1 ZINC000354095948 428860456 /nfs/dbraw/zinc/86/04/56/428860456.db2.gz GDTHFNYNMQXKNP-SFHVURJKSA-N 1 3 320.477 2.936 20 0 DFADHO CC(C)[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000354095189 428860511 /nfs/dbraw/zinc/86/05/11/428860511.db2.gz YXNLJOSJYZRIAX-AEFFLSMTSA-N 1 3 323.456 2.744 20 0 DFADHO CC(C)[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000354095189 428860517 /nfs/dbraw/zinc/86/05/17/428860517.db2.gz YXNLJOSJYZRIAX-AEFFLSMTSA-N 1 3 323.456 2.744 20 0 DFADHO c1nn(-c2ccccc2)c2c1CN(CCC1CC[NH2+]CC1)CC2 ZINC000359198766 428863179 /nfs/dbraw/zinc/86/31/79/428863179.db2.gz WTVPNEMTUDTLLJ-UHFFFAOYSA-N 1 3 310.445 2.620 20 0 DFADHO CCc1ccc(CN2CCN(CCC3CC[NH2+]CC3)CC2)s1 ZINC000359207188 428865305 /nfs/dbraw/zinc/86/53/05/428865305.db2.gz AHMKSXBOMMJCSS-UHFFFAOYSA-N 1 3 321.534 2.818 20 0 DFADHO Cc1cccc(CN2CCN(CCC3CC[NH2+]CC3)CC2)c1 ZINC000359220546 428873164 /nfs/dbraw/zinc/87/31/64/428873164.db2.gz WNYPRMXNHGPUKK-UHFFFAOYSA-N 1 3 301.478 2.502 20 0 DFADHO CC(C)[N@H+](C)CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411872841 428874714 /nfs/dbraw/zinc/87/47/14/428874714.db2.gz WLNBASCKUDRDHJ-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CC(C)[N@@H+](C)CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411872841 428874717 /nfs/dbraw/zinc/87/47/17/428874717.db2.gz WLNBASCKUDRDHJ-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC000349040483 428904343 /nfs/dbraw/zinc/90/43/43/428904343.db2.gz ASCNIEVQWVRNLQ-IRXDYDNUSA-N 1 3 309.498 2.632 20 0 DFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC000349040483 428904348 /nfs/dbraw/zinc/90/43/48/428904348.db2.gz ASCNIEVQWVRNLQ-IRXDYDNUSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H]1O ZINC000349360864 428970960 /nfs/dbraw/zinc/97/09/60/428970960.db2.gz AYZLCGKHYWZHJV-FUHWJXTLSA-N 1 3 304.478 2.847 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000349082334 428917343 /nfs/dbraw/zinc/91/73/43/428917343.db2.gz QSRYJKGHQGOWTK-MRXNPFEDSA-N 1 3 309.498 2.632 20 0 DFADHO Cc1nc2ccccn2c1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000349125668 428923783 /nfs/dbraw/zinc/92/37/83/428923783.db2.gz FNPLWFKJHGJIQH-KRWDZBQOSA-N 1 3 312.461 2.806 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000349119616 428924105 /nfs/dbraw/zinc/92/41/05/428924105.db2.gz QUTTXGZZOWMZOA-ZWKOTPCHSA-N 1 3 323.525 2.734 20 0 DFADHO Cc1cc(N2CCN([C@H]3CCC[C@H]3O)CC2)c2ccccc2[nH+]1 ZINC000375907162 274707914 /nfs/dbraw/zinc/70/79/14/274707914.db2.gz RNEINNVNGJEQOZ-PKOBYXMFSA-N 1 3 311.429 2.579 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000349141975 428926202 /nfs/dbraw/zinc/92/62/02/428926202.db2.gz GOCJXSKXYWGOQH-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C1CCOCC1 ZINC000354331578 428971408 /nfs/dbraw/zinc/97/14/08/428971408.db2.gz DTMICWLYORKNJP-INIZCTEOSA-N 1 3 320.477 2.574 20 0 DFADHO CCOC(=O)c1coc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000349195592 428936633 /nfs/dbraw/zinc/93/66/33/428936633.db2.gz SUDVMZUIJJZLSO-HNNXBMFYSA-N 1 3 320.433 2.620 20 0 DFADHO CC(C)[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000359375754 428945228 /nfs/dbraw/zinc/94/52/28/428945228.db2.gz SPYLXBOILFWUTC-QZTJIDSGSA-N 1 3 317.477 2.561 20 0 DFADHO CC(C)[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000359375754 428945234 /nfs/dbraw/zinc/94/52/34/428945234.db2.gz SPYLXBOILFWUTC-QZTJIDSGSA-N 1 3 317.477 2.561 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000359373101 428945392 /nfs/dbraw/zinc/94/53/92/428945392.db2.gz UFDKIWBOUAEGSM-NZSAHSFTSA-N 1 3 301.478 2.753 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](c1ccccc1)N1CCCC1 ZINC000359373101 428945394 /nfs/dbraw/zinc/94/53/94/428945394.db2.gz UFDKIWBOUAEGSM-NZSAHSFTSA-N 1 3 301.478 2.753 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](c1ccccc1)N1CCCC1 ZINC000359373101 428945400 /nfs/dbraw/zinc/94/54/00/428945400.db2.gz UFDKIWBOUAEGSM-NZSAHSFTSA-N 1 3 301.478 2.753 20 0 DFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000345583369 428946033 /nfs/dbraw/zinc/94/60/33/428946033.db2.gz IBPVZPCKVKHODN-OAHLLOKOSA-N 1 3 317.477 2.551 20 0 DFADHO C[C@H]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H]1O ZINC000349360864 428970956 /nfs/dbraw/zinc/97/09/56/428970956.db2.gz AYZLCGKHYWZHJV-FUHWJXTLSA-N 1 3 304.478 2.847 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)C[C@@H]2CCC[NH2+]CC2)c1 ZINC000423779699 429016784 /nfs/dbraw/zinc/01/67/84/429016784.db2.gz FSFDRIAOSFHWHZ-OAHLLOKOSA-N 1 3 303.450 2.775 20 0 DFADHO C[C@@H]1CCN[C@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000423782579 429019581 /nfs/dbraw/zinc/01/95/81/429019581.db2.gz ZIQBWACLHFSHGZ-QAPCUYQASA-N 1 3 315.461 2.652 20 0 DFADHO C[N@H+](CCNC(=O)[C@@H]1CCCCN1C1CCCC1)C1CCCC1 ZINC000433343971 429025158 /nfs/dbraw/zinc/02/51/58/429025158.db2.gz PTXQJDSQTOIDIP-SFHVURJKSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@@H+](CCNC(=O)[C@@H]1CCCCN1C1CCCC1)C1CCCC1 ZINC000433343971 429025163 /nfs/dbraw/zinc/02/51/63/429025163.db2.gz PTXQJDSQTOIDIP-SFHVURJKSA-N 1 3 321.509 2.774 20 0 DFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000433376657 429030216 /nfs/dbraw/zinc/03/02/16/429030216.db2.gz JXSRCANCDIHOFD-MSOLQXFVSA-N 1 3 321.509 2.726 20 0 DFADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccccn1 ZINC000423554530 428972624 /nfs/dbraw/zinc/97/26/24/428972624.db2.gz HJDCDCAKHWVCNJ-KRWDZBQOSA-N 1 3 324.472 2.726 20 0 DFADHO CON1CCC([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000421399051 428994613 /nfs/dbraw/zinc/99/46/13/428994613.db2.gz PJGFOIDWYGGSMB-CRAIPNDOSA-N 1 3 309.498 2.645 20 0 DFADHO CON1CCC(NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000421399051 428994621 /nfs/dbraw/zinc/99/46/21/428994621.db2.gz PJGFOIDWYGGSMB-CRAIPNDOSA-N 1 3 309.498 2.645 20 0 DFADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)C[C@@H](N)c1ccccc1 ZINC000423767720 429014287 /nfs/dbraw/zinc/01/42/87/429014287.db2.gz WQEAFKJMISSPMG-GOSISDBHSA-N 1 3 317.477 2.799 20 0 DFADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@@H](N)c1ccccc1 ZINC000423767720 429014292 /nfs/dbraw/zinc/01/42/92/429014292.db2.gz WQEAFKJMISSPMG-GOSISDBHSA-N 1 3 317.477 2.799 20 0 DFADHO Cc1c([C@@H](C)N[C@H](C)CCC[NH3+])nnn1-c1ccc(C)cc1 ZINC000423454849 429090836 /nfs/dbraw/zinc/09/08/36/429090836.db2.gz MBORBHNJVJVKLZ-ZIAGYGMSSA-N 1 3 301.438 2.662 20 0 DFADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000433507250 429036727 /nfs/dbraw/zinc/03/67/27/429036727.db2.gz AQMFGSQQSOKQKR-CZUORRHYSA-N 1 3 323.868 2.548 20 0 DFADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000433507250 429036729 /nfs/dbraw/zinc/03/67/29/429036729.db2.gz AQMFGSQQSOKQKR-CZUORRHYSA-N 1 3 323.868 2.548 20 0 DFADHO CO[C@@H]1CCCN(C/C=C/C[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000376066572 429051338 /nfs/dbraw/zinc/05/13/38/429051338.db2.gz ICLZLBCFOLQHQY-GVKUHWBJSA-N 1 3 310.482 2.544 20 0 DFADHO CO[C@@H]1CCCN(C/C=C/C[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000376066572 429051342 /nfs/dbraw/zinc/05/13/42/429051342.db2.gz ICLZLBCFOLQHQY-GVKUHWBJSA-N 1 3 310.482 2.544 20 0 DFADHO CC(C)N(CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC(C)(C)C1 ZINC000452100785 429056152 /nfs/dbraw/zinc/05/61/52/429056152.db2.gz FGRIVVBCZTXGET-UHFFFAOYSA-N 1 3 323.525 2.874 20 0 DFADHO CC(C)C[NH+]1CCC(NC(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000423299485 429059755 /nfs/dbraw/zinc/05/97/55/429059755.db2.gz BVMPALPTVWYNHI-QGZVFWFLSA-N 1 3 309.498 2.521 20 0 DFADHO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000376116751 429059750 /nfs/dbraw/zinc/05/97/50/429059750.db2.gz OGIRZPWHEYNGCO-SJLPKXTDSA-N 1 3 321.509 2.676 20 0 DFADHO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000376116751 429059752 /nfs/dbraw/zinc/05/97/52/429059752.db2.gz OGIRZPWHEYNGCO-SJLPKXTDSA-N 1 3 321.509 2.676 20 0 DFADHO C[C@H](C[NH3+])CN[C@@H]1CCc2c1cc(Br)cc2F ZINC000423297094 429061379 /nfs/dbraw/zinc/06/13/79/429061379.db2.gz IRUGJELZYGUYPE-AMIZOPFISA-N 1 3 301.203 2.760 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(N)CCC2)c2ccccc21 ZINC000423316631 429062838 /nfs/dbraw/zinc/06/28/38/429062838.db2.gz BXTAVKBMEYRMRH-CVEARBPZSA-N 1 3 302.418 2.639 20 0 DFADHO C[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1cccc(OCCN(C)C)c1 ZINC000423323023 429065265 /nfs/dbraw/zinc/06/52/65/429065265.db2.gz HXMPDYWSISQFGB-LPHOPBHVSA-N 1 3 319.493 2.667 20 0 DFADHO [NH3+][C@@H](CN[C@@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000423334589 429068657 /nfs/dbraw/zinc/06/86/57/429068657.db2.gz WTKQOIDDWUBVAF-DOMZBBRYSA-N 1 3 309.251 2.633 20 0 DFADHO Cc1c([C@H](C)NCCCC[NH3+])nnn1-c1cccc(Cl)c1 ZINC000423343346 429070371 /nfs/dbraw/zinc/07/03/71/429070371.db2.gz VYSSISBTZSYUQY-NSHDSACASA-N 1 3 307.829 2.619 20 0 DFADHO CCc1ccccc1[C@H](N)CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000423990352 429071167 /nfs/dbraw/zinc/07/11/67/429071167.db2.gz ZEAJIPWDVIMLGE-OKZBNKHCSA-N 1 3 317.477 2.663 20 0 DFADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(c2ccc(F)cc2F)CC1 ZINC000423362602 429071757 /nfs/dbraw/zinc/07/17/57/429071757.db2.gz NCTQODJOEKQOAB-LRDDRELGSA-N 1 3 309.404 2.521 20 0 DFADHO C[C@@H]1[C@H](NCC[C@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000423355329 429072353 /nfs/dbraw/zinc/07/23/53/429072353.db2.gz IAZLEAXBXYLEQV-BHIYHBOVSA-N 1 3 301.478 2.771 20 0 DFADHO CC(C)[C@H](C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@H](C)[NH3+] ZINC000423357511 429072426 /nfs/dbraw/zinc/07/24/26/429072426.db2.gz IEOKXZRUSDOPHO-ONIAQPFYSA-N 1 3 317.477 2.558 20 0 DFADHO COc1cc(C)c(C[C@@H](C)NCC[C@H]2CCC[NH2+]2)cc1OC ZINC000423354323 429072817 /nfs/dbraw/zinc/07/28/17/429072817.db2.gz CRQCJJOWGGYDNN-GDBMZVCRSA-N 1 3 306.450 2.675 20 0 DFADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(c2ccc(F)cc2F)CC1 ZINC000423362601 429072973 /nfs/dbraw/zinc/07/29/73/429072973.db2.gz NCTQODJOEKQOAB-BLLLJJGKSA-N 1 3 309.404 2.521 20 0 DFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](N)CC1CCCCC1 ZINC000423369099 429073690 /nfs/dbraw/zinc/07/36/90/429073690.db2.gz SIVRURZWTJKHOL-BFYDXBDKSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](N)CC1CCCCC1 ZINC000423369099 429073694 /nfs/dbraw/zinc/07/36/94/429073694.db2.gz SIVRURZWTJKHOL-BFYDXBDKSA-N 1 3 309.498 2.521 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000423365993 429074412 /nfs/dbraw/zinc/07/44/12/429074412.db2.gz BIXWRAJJDZPFHQ-HIFRSBDPSA-N 1 3 309.404 2.793 20 0 DFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)CC1CCCCC1 ZINC000423369102 429075630 /nfs/dbraw/zinc/07/56/30/429075630.db2.gz SIVRURZWTJKHOL-VYDXJSESSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)CC1CCCCC1 ZINC000423369102 429075632 /nfs/dbraw/zinc/07/56/32/429075632.db2.gz SIVRURZWTJKHOL-VYDXJSESSA-N 1 3 309.498 2.521 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)c(C)c1OC ZINC000423374122 429077693 /nfs/dbraw/zinc/07/76/93/429077693.db2.gz HUHFQYBSPQATMD-HEHGZKQESA-N 1 3 306.450 2.673 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)c(C)c1OC ZINC000423374122 429077697 /nfs/dbraw/zinc/07/76/97/429077697.db2.gz HUHFQYBSPQATMD-HEHGZKQESA-N 1 3 306.450 2.673 20 0 DFADHO COCCC[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423378820 429077789 /nfs/dbraw/zinc/07/77/89/429077789.db2.gz WRBSZVNOEVCSDL-DXCKQFNASA-N 1 3 312.404 2.815 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)cc1OC ZINC000423389978 429078958 /nfs/dbraw/zinc/07/89/58/429078958.db2.gz VLVPFXBSBDRZNA-HGTKMLMNSA-N 1 3 306.450 2.926 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000423389978 429078963 /nfs/dbraw/zinc/07/89/63/429078963.db2.gz VLVPFXBSBDRZNA-HGTKMLMNSA-N 1 3 306.450 2.926 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)cc1OC ZINC000423389980 429079381 /nfs/dbraw/zinc/07/93/81/429079381.db2.gz VLVPFXBSBDRZNA-KNCOVGOOSA-N 1 3 306.450 2.926 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000423389980 429079384 /nfs/dbraw/zinc/07/93/84/429079384.db2.gz VLVPFXBSBDRZNA-KNCOVGOOSA-N 1 3 306.450 2.926 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@H]2CCNC[C@H]2C)c(C)c1OC ZINC000423394648 429080309 /nfs/dbraw/zinc/08/03/09/429080309.db2.gz MVUMARRJPWMWEJ-WWGRRREGSA-N 1 3 306.450 2.531 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CC[NH2+]C[C@H]2C)c(C)c1OC ZINC000423394648 429080313 /nfs/dbraw/zinc/08/03/13/429080313.db2.gz MVUMARRJPWMWEJ-WWGRRREGSA-N 1 3 306.450 2.531 20 0 DFADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000423398730 429081739 /nfs/dbraw/zinc/08/17/39/429081739.db2.gz VIKHUJOUVGAQKS-CAMMJAKZSA-N 1 3 301.478 2.770 20 0 DFADHO C[C@@H]1NCCC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000423398730 429081742 /nfs/dbraw/zinc/08/17/42/429081742.db2.gz VIKHUJOUVGAQKS-CAMMJAKZSA-N 1 3 301.478 2.770 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H](CN)c1ccc2ccccc2c1 ZINC000423408379 429081811 /nfs/dbraw/zinc/08/18/11/429081811.db2.gz XJZXBPNWRIMWCO-UAOJZALGSA-N 1 3 309.457 2.912 20 0 DFADHO COC[C@@]1(C[NH2+][C@H](COCc2ccccc2)C(C)C)CCCN1 ZINC000423412863 429082734 /nfs/dbraw/zinc/08/27/34/429082734.db2.gz IXEWKGIXBLRKLE-MOPGFXCFSA-N 1 3 320.477 2.586 20 0 DFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423410920 429083397 /nfs/dbraw/zinc/08/33/97/429083397.db2.gz DVYKARLIGZAJPP-BRWVUGGUSA-N 1 3 317.477 2.702 20 0 DFADHO CC[C@@H]1CCCCN1CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423415004 429083544 /nfs/dbraw/zinc/08/35/44/429083544.db2.gz CZHKRDBRMGZBFV-WMLDXEAASA-N 1 3 303.450 2.701 20 0 DFADHO Cc1c([C@@H](C)N[C@H](C)CCCC[NH3+])nnn1-c1ccccc1 ZINC000423425845 429084704 /nfs/dbraw/zinc/08/47/04/429084704.db2.gz HGWPUSNQJZWGJG-ZIAGYGMSSA-N 1 3 301.438 2.744 20 0 DFADHO c1ccc2c(c1)CCN[C@@H]2CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423421144 429086177 /nfs/dbraw/zinc/08/61/77/429086177.db2.gz JVBYOTVKHHWWJE-VNTMZGSJSA-N 1 3 313.489 2.774 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000424430369 429143129 /nfs/dbraw/zinc/14/31/29/429143129.db2.gz BOVIIQQZZPXAAN-OAHLLOKOSA-N 1 3 318.465 2.696 20 0 DFADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CNCCCO1 ZINC000423494671 429098756 /nfs/dbraw/zinc/09/87/56/429098756.db2.gz SOHIRFLAMVHJCB-TZMCWYRMSA-N 1 3 316.367 2.605 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CNCCCO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423493960 429099909 /nfs/dbraw/zinc/09/99/09/429099909.db2.gz RLMUTWHGUOZGFX-MROQNXINSA-N 1 3 314.882 2.862 20 0 DFADHO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423493960 429099912 /nfs/dbraw/zinc/09/99/12/429099912.db2.gz RLMUTWHGUOZGFX-MROQNXINSA-N 1 3 314.882 2.862 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)N[C@@H](C[NH3+])C1CCCC1 ZINC000423504504 429100648 /nfs/dbraw/zinc/10/06/48/429100648.db2.gz GSTOFNFBVSLKIB-YOEHRIQHSA-N 1 3 303.450 2.535 20 0 DFADHO C[C@@H]1C[N@@H+]([C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C[C@@]1(C)CN ZINC000423505563 429101261 /nfs/dbraw/zinc/10/12/61/429101261.db2.gz HEENHOVCFVAKTQ-HNBVOPMISA-N 1 3 315.505 2.814 20 0 DFADHO C[C@@H]1C[N@H+]([C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C[C@@]1(C)CN ZINC000423505563 429101263 /nfs/dbraw/zinc/10/12/63/429101263.db2.gz HEENHOVCFVAKTQ-HNBVOPMISA-N 1 3 315.505 2.814 20 0 DFADHO C[C@@H]1C[N@@H+]([C@H]2CCN(C)[C@H](c3ccccc3)C2)C[C@@]1(C)CN ZINC000423515337 429105865 /nfs/dbraw/zinc/10/58/65/429105865.db2.gz VEZRBWUDNWMPGL-XGXHKWSGSA-N 1 3 301.478 2.739 20 0 DFADHO C[C@@H]1C[N@H+]([C@H]2CCN(C)[C@H](c3ccccc3)C2)C[C@@]1(C)CN ZINC000423515337 429105869 /nfs/dbraw/zinc/10/58/69/429105869.db2.gz VEZRBWUDNWMPGL-XGXHKWSGSA-N 1 3 301.478 2.739 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424181394 429107049 /nfs/dbraw/zinc/10/70/49/429107049.db2.gz RBXUDRPQBXXANG-KBAYOESNSA-N 1 3 323.525 2.863 20 0 DFADHO CCN1CC[C@H](NC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)C1 ZINC000412829708 429108848 /nfs/dbraw/zinc/10/88/48/429108848.db2.gz ABHUXFCMPHOBIE-SFHVURJKSA-N 1 3 317.477 2.741 20 0 DFADHO CCN1CC[C@H](NC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)C1 ZINC000412829708 429108852 /nfs/dbraw/zinc/10/88/52/429108852.db2.gz ABHUXFCMPHOBIE-SFHVURJKSA-N 1 3 317.477 2.741 20 0 DFADHO Cc1ccc([C@@H](NC[C@@H]2C[NH2+]CCN2C)C2CCCC2)cc1 ZINC000423522888 429109438 /nfs/dbraw/zinc/10/94/38/429109438.db2.gz RXGKEHOWSRQVNG-OALUTQOASA-N 1 3 301.478 2.720 20 0 DFADHO COC(=O)CC1CC([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000424275267 429117364 /nfs/dbraw/zinc/11/73/64/429117364.db2.gz WXOYBTNSGXRXAK-UHFFFAOYSA-N 1 3 308.466 2.572 20 0 DFADHO COC(=O)CC1CC(NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000424275267 429117370 /nfs/dbraw/zinc/11/73/70/429117370.db2.gz WXOYBTNSGXRXAK-UHFFFAOYSA-N 1 3 308.466 2.572 20 0 DFADHO C[C@@H]1CC2(CN1Cc1cc(-c3ccco3)on1)CC[NH2+]CC2 ZINC000424292013 429121038 /nfs/dbraw/zinc/12/10/38/429121038.db2.gz NXHPFSDWFAKLEI-CYBMUJFWSA-N 1 3 301.390 2.899 20 0 DFADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000424333231 429127989 /nfs/dbraw/zinc/12/79/89/429127989.db2.gz LWQCVLUXEWQSRJ-ZIAGYGMSSA-N 1 3 302.340 2.987 20 0 DFADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(OCc2cccnc2)cc1 ZINC000435376562 429136232 /nfs/dbraw/zinc/13/62/32/429136232.db2.gz RQKKVSFMKWVPAM-MAUKXSAKSA-N 1 3 311.429 2.830 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2C2CCCCC2)CN1C1CC1 ZINC000435749092 429161805 /nfs/dbraw/zinc/16/18/05/429161805.db2.gz RDDLEQULLCYBKM-MDZRGWNJSA-N 1 3 305.510 2.998 20 0 DFADHO C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CN1C1CC1 ZINC000435749092 429161808 /nfs/dbraw/zinc/16/18/08/429161808.db2.gz RDDLEQULLCYBKM-MDZRGWNJSA-N 1 3 305.510 2.998 20 0 DFADHO C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+]2C2CCCCC2)CN1C1CC1 ZINC000435749092 429161811 /nfs/dbraw/zinc/16/18/11/429161811.db2.gz RDDLEQULLCYBKM-MDZRGWNJSA-N 1 3 305.510 2.998 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(C/C=C\c2ccncc2)C1 ZINC000494958409 429167716 /nfs/dbraw/zinc/16/77/16/429167716.db2.gz VYTMLMKIWGGUOT-OOFWQKGWSA-N 1 3 303.450 2.528 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000495043647 429173880 /nfs/dbraw/zinc/17/38/80/429173880.db2.gz BTFXGKWBLAXYMS-UHFFFAOYSA-N 1 3 313.486 2.563 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000495043647 429173883 /nfs/dbraw/zinc/17/38/83/429173883.db2.gz BTFXGKWBLAXYMS-UHFFFAOYSA-N 1 3 313.486 2.563 20 0 DFADHO CC[NH+](CC)CCCN1CC[C@@H](CNc2cc(C)ccn2)C1 ZINC000364357267 429188788 /nfs/dbraw/zinc/18/87/88/429188788.db2.gz UYGHLCNWLJKJIV-KRWDZBQOSA-N 1 3 304.482 2.856 20 0 DFADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000436244188 429192626 /nfs/dbraw/zinc/19/26/26/429192626.db2.gz CEWOIUFTRSNSAL-IXDOHACOSA-N 1 3 323.525 2.828 20 0 DFADHO CC[N@@H+]1CC[C@@H](NC2CC(O)(Cc3cccc(F)c3)C2)[C@H](C)C1 ZINC000364482662 429211928 /nfs/dbraw/zinc/21/19/28/429211928.db2.gz JHLDAPCFUJEMBI-ZIPRAHGXSA-N 1 3 320.452 2.582 20 0 DFADHO CC[N@H+]1CC[C@@H](NC2CC(O)(Cc3cccc(F)c3)C2)[C@H](C)C1 ZINC000364482662 429211933 /nfs/dbraw/zinc/21/19/33/429211933.db2.gz JHLDAPCFUJEMBI-ZIPRAHGXSA-N 1 3 320.452 2.582 20 0 DFADHO CC[N@@H+]1CC[C@H](NC2CC(O)(Cc3cccc(F)c3)C2)[C@H](C)C1 ZINC000364482660 429212463 /nfs/dbraw/zinc/21/24/63/429212463.db2.gz JHLDAPCFUJEMBI-SIBREGTBSA-N 1 3 320.452 2.582 20 0 DFADHO CC[N@H+]1CC[C@H](NC2CC(O)(Cc3cccc(F)c3)C2)[C@H](C)C1 ZINC000364482660 429212467 /nfs/dbraw/zinc/21/24/67/429212467.db2.gz JHLDAPCFUJEMBI-SIBREGTBSA-N 1 3 320.452 2.582 20 0 DFADHO CC[C@H](F)CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000440792135 429228457 /nfs/dbraw/zinc/22/84/57/429228457.db2.gz QQDAPLLLSVDBEQ-KRWDZBQOSA-N 1 3 313.505 2.863 20 0 DFADHO C[C@H]1C[C@H](N(C)CC(C)(C)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495393013 429205527 /nfs/dbraw/zinc/20/55/27/429205527.db2.gz JNHODAZMLJYGPQ-UONOGXRCSA-N 1 3 313.486 2.704 20 0 DFADHO C[C@H]1C[C@H](N(C)CC(C)(C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495393013 429205533 /nfs/dbraw/zinc/20/55/33/429205533.db2.gz JNHODAZMLJYGPQ-UONOGXRCSA-N 1 3 313.486 2.704 20 0 DFADHO COc1cccc2c1CC[C@H](N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000365251486 429287172 /nfs/dbraw/zinc/28/71/72/429287172.db2.gz XFUWTTLTOAOCMO-GVDBMIGSSA-N 1 3 300.446 2.769 20 0 DFADHO COc1cccc2c1CC[C@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000365251486 429287176 /nfs/dbraw/zinc/28/71/76/429287176.db2.gz XFUWTTLTOAOCMO-GVDBMIGSSA-N 1 3 300.446 2.769 20 0 DFADHO COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCN3CCC[C@@H]3C1)C2 ZINC000365251486 429287179 /nfs/dbraw/zinc/28/71/79/429287179.db2.gz XFUWTTLTOAOCMO-GVDBMIGSSA-N 1 3 300.446 2.769 20 0 DFADHO CCOCc1cc(CN2CCC[C@H](CC[NH3+])C2)ccc1OC ZINC000442925137 429241063 /nfs/dbraw/zinc/24/10/63/429241063.db2.gz UMXMWZLIOAGCSA-OAHLLOKOSA-N 1 3 306.450 2.793 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000444148062 429265253 /nfs/dbraw/zinc/26/52/53/429265253.db2.gz AKIBOOCLCWNPAN-OAHLLOKOSA-N 1 3 321.440 2.736 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000444148062 429265255 /nfs/dbraw/zinc/26/52/55/429265255.db2.gz AKIBOOCLCWNPAN-OAHLLOKOSA-N 1 3 321.440 2.736 20 0 DFADHO CN1CCC(CC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000456272915 429268476 /nfs/dbraw/zinc/26/84/76/429268476.db2.gz LSXCNYUWNZRQAU-SFHVURJKSA-N 1 3 315.461 2.906 20 0 DFADHO CN(C)CCOc1cccc(C[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000449092234 429329772 /nfs/dbraw/zinc/32/97/72/429329772.db2.gz SQLAYZSIHFVQMP-KRWDZBQOSA-N 1 3 318.461 2.818 20 0 DFADHO CC(C)C[C@@H](C[N@@H+]1CC[C@H](N2CCNCC2)C1)c1ccccc1 ZINC000504438641 429337147 /nfs/dbraw/zinc/33/71/47/429337147.db2.gz NGIJFWYANWGQJS-PMACEKPBSA-N 1 3 315.505 2.796 20 0 DFADHO CC(C)C[C@@H](C[N@H+]1CC[C@H](N2CCNCC2)C1)c1ccccc1 ZINC000504438641 429337152 /nfs/dbraw/zinc/33/71/52/429337152.db2.gz NGIJFWYANWGQJS-PMACEKPBSA-N 1 3 315.505 2.796 20 0 DFADHO CO[C@@H](CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000425425293 429292492 /nfs/dbraw/zinc/29/24/92/429292492.db2.gz YBOLOJINPACHBG-HKUYNNGSSA-N 1 3 302.462 2.865 20 0 DFADHO CO[C@@H](CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000425425293 429292497 /nfs/dbraw/zinc/29/24/97/429292497.db2.gz YBOLOJINPACHBG-HKUYNNGSSA-N 1 3 302.462 2.865 20 0 DFADHO CC[C@H]([NH2+]C1CCNCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496098861 429307603 /nfs/dbraw/zinc/30/76/03/429307603.db2.gz FDTLXWRMLLBSAV-LSDHHAIUSA-N 1 3 311.470 2.506 20 0 DFADHO CC[C@H](NC1CC[NH2+]CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496098861 429307607 /nfs/dbraw/zinc/30/76/07/429307607.db2.gz FDTLXWRMLLBSAV-LSDHHAIUSA-N 1 3 311.470 2.506 20 0 DFADHO CC(C)N1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000457084830 429396398 /nfs/dbraw/zinc/39/63/98/429396398.db2.gz GWFOMZCMFNLKFK-ROUUACIJSA-N 1 3 321.509 2.725 20 0 DFADHO CC(C)N1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000457084830 429396402 /nfs/dbraw/zinc/39/64/02/429396402.db2.gz GWFOMZCMFNLKFK-ROUUACIJSA-N 1 3 321.509 2.725 20 0 DFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426622114 429404524 /nfs/dbraw/zinc/40/45/24/429404524.db2.gz BSTHGRQTOGXRQF-SJORKVTESA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1C[C@@H](CCNCc2cc(C3CC[NH2+]CC3)no2)C[C@H](C)O1 ZINC000425895354 429349312 /nfs/dbraw/zinc/34/93/12/429349312.db2.gz IXDUIXRCUXRARS-QDMKHBRRSA-N 1 3 321.465 2.825 20 0 DFADHO COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1OC ZINC000425914064 429350093 /nfs/dbraw/zinc/35/00/93/429350093.db2.gz AUCMELHWWIKMMM-UKRRQHHQSA-N 1 3 308.466 2.731 20 0 DFADHO CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CCC1 ZINC000449236042 429362909 /nfs/dbraw/zinc/36/29/09/429362909.db2.gz WMAYLBRQAHZXBT-OALUTQOASA-N 1 3 302.462 2.922 20 0 DFADHO Cc1cccc(CC[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)c1 ZINC000449231890 429363906 /nfs/dbraw/zinc/36/39/06/429363906.db2.gz GESXJOJHKYUQNI-NRFANRHFSA-N 1 3 324.468 2.894 20 0 DFADHO CCN(CCN[C@@H]1CC[N@H+](CC)C[C@H]1C)CCC(F)(F)F ZINC000426079369 429365334 /nfs/dbraw/zinc/36/53/34/429365334.db2.gz PEWKBNCQEIEDPA-ZIAGYGMSSA-N 1 3 309.420 2.581 20 0 DFADHO CCN(CCN[C@@H]1CC[N@@H+](CC)C[C@H]1C)CCC(F)(F)F ZINC000426079369 429365339 /nfs/dbraw/zinc/36/53/39/429365339.db2.gz PEWKBNCQEIEDPA-ZIAGYGMSSA-N 1 3 309.420 2.581 20 0 DFADHO CCOC1CC(O)(CNC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000365811191 429378254 /nfs/dbraw/zinc/37/82/54/429378254.db2.gz CQLQRLUDKMRWCJ-UHFFFAOYSA-N 1 3 324.509 2.551 20 0 DFADHO CCOC1CC(O)(C[NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC000365811191 429378260 /nfs/dbraw/zinc/37/82/60/429378260.db2.gz CQLQRLUDKMRWCJ-UHFFFAOYSA-N 1 3 324.509 2.551 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[C@H]21 ZINC000426296009 429380087 /nfs/dbraw/zinc/38/00/87/429380087.db2.gz PBXAPZNLIQUUDP-MXSMSXNCSA-N 1 3 317.452 2.867 20 0 DFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[C@H]21 ZINC000426296009 429380091 /nfs/dbraw/zinc/38/00/91/429380091.db2.gz PBXAPZNLIQUUDP-MXSMSXNCSA-N 1 3 317.452 2.867 20 0 DFADHO C[NH+](C)CC1(C(=O)N2CC[C@H](N3CCCCC3)C2)CCCCC1 ZINC000426377520 429385625 /nfs/dbraw/zinc/38/56/25/429385625.db2.gz IJAPDSDAMJMBQN-KRWDZBQOSA-N 1 3 321.509 2.585 20 0 DFADHO CCC[N@@H+](CCc1cccc(C)c1)CCN1CCN(CC)CC1 ZINC000449327241 429389160 /nfs/dbraw/zinc/38/91/60/429389160.db2.gz CBEYIJDAPPLCPM-UHFFFAOYSA-N 1 3 317.521 2.887 20 0 DFADHO CCC[N@H+](CCc1cccc(C)c1)CCN1CCN(CC)CC1 ZINC000449327241 429389163 /nfs/dbraw/zinc/38/91/63/429389163.db2.gz CBEYIJDAPPLCPM-UHFFFAOYSA-N 1 3 317.521 2.887 20 0 DFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1csc(C)c1 ZINC000449330546 429389482 /nfs/dbraw/zinc/38/94/82/429389482.db2.gz UQHWUPZKNHHBGR-UHFFFAOYSA-N 1 3 309.523 2.906 20 0 DFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1csc(C)c1 ZINC000449330546 429389486 /nfs/dbraw/zinc/38/94/86/429389486.db2.gz UQHWUPZKNHHBGR-UHFFFAOYSA-N 1 3 309.523 2.906 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(Br)cc1)[C@H]1CCCNC1 ZINC000519138331 429449030 /nfs/dbraw/zinc/44/90/30/429449030.db2.gz WJOMMJIMABZRFL-OCCSQVGLSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H](NCCc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000519138331 429449040 /nfs/dbraw/zinc/44/90/40/429449040.db2.gz WJOMMJIMABZRFL-OCCSQVGLSA-N 1 3 311.267 2.969 20 0 DFADHO c1ccc(-c2ncc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000519547843 429464677 /nfs/dbraw/zinc/46/46/77/429464677.db2.gz WMGUMGQQTFIAJH-LJQANCHMSA-N 1 3 322.456 2.965 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CCCC[C@@H]1CN(C)C ZINC000518689951 429430848 /nfs/dbraw/zinc/43/08/48/429430848.db2.gz XCZBTINSUDWFIA-QGZVFWFLSA-N 1 3 311.514 2.831 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCn3ccnc3C2)CC1 ZINC000427873370 429476237 /nfs/dbraw/zinc/47/62/37/429476237.db2.gz KVVWIVGNZGQTKK-NXHRZFHOSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCn3ccnc3C2)CC1 ZINC000427873370 429476241 /nfs/dbraw/zinc/47/62/41/429476241.db2.gz KVVWIVGNZGQTKK-NXHRZFHOSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000519817654 429492399 /nfs/dbraw/zinc/49/23/99/429492399.db2.gz GXLGGIHKTPDAAQ-AEFFLSMTSA-N 1 3 304.478 2.863 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCN1CCc2ccccc21 ZINC000428227844 429501562 /nfs/dbraw/zinc/50/15/62/429501562.db2.gz YBMWQQCWKQKWOV-GOSISDBHSA-N 1 3 301.478 2.855 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCN1CCc2ccccc21 ZINC000428227844 429501567 /nfs/dbraw/zinc/50/15/67/429501567.db2.gz YBMWQQCWKQKWOV-GOSISDBHSA-N 1 3 301.478 2.855 20 0 DFADHO C[C@H]1C[C@H]([NH2+]CCCN2CCC2)CCN1Cc1ccccc1 ZINC000520428178 429515272 /nfs/dbraw/zinc/51/52/72/429515272.db2.gz MYVCSRDKUCBEDB-PKOBYXMFSA-N 1 3 301.478 2.725 20 0 DFADHO CC(C)N1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449844640 429523182 /nfs/dbraw/zinc/52/31/82/429523182.db2.gz XBUPYLZQIWPHSW-GOSISDBHSA-N 1 3 321.509 2.726 20 0 DFADHO CC(C)N1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449844640 429523187 /nfs/dbraw/zinc/52/31/87/429523187.db2.gz XBUPYLZQIWPHSW-GOSISDBHSA-N 1 3 321.509 2.726 20 0 DFADHO Cc1cc(NC[C@H]2CSCCN2Cc2ccccc2)cc[nH+]1 ZINC000428665641 429542744 /nfs/dbraw/zinc/54/27/44/429542744.db2.gz FCXUSBWJYSWGRC-SFHVURJKSA-N 1 3 313.470 2.841 20 0 DFADHO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000429616064 429623037 /nfs/dbraw/zinc/62/30/37/429623037.db2.gz NHOKRPAZNSFNJC-KRWDZBQOSA-N 1 3 317.477 2.918 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000450438098 429625235 /nfs/dbraw/zinc/62/52/35/429625235.db2.gz JWYDSTRZYDWBSN-NZSAHSFTSA-N 1 3 304.478 2.957 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000450438098 429625240 /nfs/dbraw/zinc/62/52/40/429625240.db2.gz JWYDSTRZYDWBSN-NZSAHSFTSA-N 1 3 304.478 2.957 20 0 DFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)CCN(C)Cc1ccccc1 ZINC000429701363 429625349 /nfs/dbraw/zinc/62/53/49/429625349.db2.gz VGZNAQSTLXPQCR-IBGZPJMESA-N 1 3 303.494 2.925 20 0 DFADHO CN(CC[C@@H]1CCCC[N@H+]1C)CCN(C)Cc1ccccc1 ZINC000429701363 429625352 /nfs/dbraw/zinc/62/53/52/429625352.db2.gz VGZNAQSTLXPQCR-IBGZPJMESA-N 1 3 303.494 2.925 20 0 DFADHO CCCCC[C@@H](C)NC(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199187 429596497 /nfs/dbraw/zinc/59/64/97/429596497.db2.gz INGQDDDIFJUGPX-QGZVFWFLSA-N 1 3 323.525 2.879 20 0 DFADHO OC[C@H]1C[N@H+](CCCN2CCCC2)CC[C@H]1c1ccccc1 ZINC000367243236 429602631 /nfs/dbraw/zinc/60/26/31/429602631.db2.gz IOSMIPXUQWIHPV-MOPGFXCFSA-N 1 3 302.462 2.570 20 0 DFADHO OC[C@H]1C[N@@H+](CCCN2CCCC2)CC[C@H]1c1ccccc1 ZINC000367243236 429602636 /nfs/dbraw/zinc/60/26/36/429602636.db2.gz IOSMIPXUQWIHPV-MOPGFXCFSA-N 1 3 302.462 2.570 20 0 DFADHO COC1(C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CCC1 ZINC000429402008 429607725 /nfs/dbraw/zinc/60/77/25/429607725.db2.gz HWGROQISZXWJJE-GVDBMIGSSA-N 1 3 312.498 2.813 20 0 DFADHO COC1(C[C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000429402013 429607776 /nfs/dbraw/zinc/60/77/76/429607776.db2.gz HWGROQISZXWJJE-ZACQAIPSSA-N 1 3 312.498 2.813 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)[C@H]2CCC[C@@H]21 ZINC000367517922 429664733 /nfs/dbraw/zinc/66/47/33/429664733.db2.gz FILBQPNWYKPMAG-QYZOEREBSA-N 1 3 310.445 2.835 20 0 DFADHO CN1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000430124615 429653912 /nfs/dbraw/zinc/65/39/12/429653912.db2.gz ASHAKJLOYSCAFJ-IBGZPJMESA-N 1 3 300.446 2.928 20 0 DFADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000430124615 429653916 /nfs/dbraw/zinc/65/39/16/429653916.db2.gz ASHAKJLOYSCAFJ-IBGZPJMESA-N 1 3 300.446 2.928 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)C2([NH3+])CCCCC2)cc1 ZINC000262464116 276057789 /nfs/dbraw/zinc/05/77/89/276057789.db2.gz WXFMZDOCHQZHOL-MRXNPFEDSA-N 1 3 303.450 2.588 20 0 DFADHO CCN(C(=O)CCC[NH2+]C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368453899 276060434 /nfs/dbraw/zinc/06/04/34/276060434.db2.gz NCBYYDWSATZBEX-SJLPKXTDSA-N 1 3 317.477 2.670 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H]1CCCc2ccc(O)cc21 ZINC000361002533 276100125 /nfs/dbraw/zinc/10/01/25/276100125.db2.gz KGUGEFQASKHVMZ-GOSISDBHSA-N 1 3 306.450 2.718 20 0 DFADHO C[C@@H]1C[N@H+](CC23CCC(CC2)C3)CCN1C1CCN(C)CC1 ZINC000450648597 429671108 /nfs/dbraw/zinc/67/11/08/429671108.db2.gz HXAQQLOEJFMMST-LRYGQEGESA-N 1 3 305.510 2.667 20 0 DFADHO C[C@@H]1C[N@@H+](CC23CCC(CC2)C3)CCN1C1CCN(C)CC1 ZINC000450648597 429671112 /nfs/dbraw/zinc/67/11/12/429671112.db2.gz HXAQQLOEJFMMST-LRYGQEGESA-N 1 3 305.510 2.667 20 0 DFADHO CCN1CCCC[C@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000111039368 276158968 /nfs/dbraw/zinc/15/89/68/276158968.db2.gz QJPJQZVDPCKGCZ-KRWDZBQOSA-N 1 3 309.498 2.633 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H]2COC3(CCC(C)CC3)O2)[C@@H](C)C1 ZINC000245558919 276229188 /nfs/dbraw/zinc/22/91/88/276229188.db2.gz HIYPJTFJUOXKLO-RGUZKJPTSA-N 1 3 310.482 2.628 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H]2COC3(CCC(C)CC3)O2)[C@@H](C)C1 ZINC000245558919 276229190 /nfs/dbraw/zinc/22/91/90/276229190.db2.gz HIYPJTFJUOXKLO-RGUZKJPTSA-N 1 3 310.482 2.628 20 0 DFADHO COc1ccc(COCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367612604 429685003 /nfs/dbraw/zinc/68/50/03/429685003.db2.gz DMBSDRVIGPZMKT-GUDVDZBRSA-N 1 3 318.461 2.674 20 0 DFADHO COc1ccc(COCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367612604 429685008 /nfs/dbraw/zinc/68/50/08/429685008.db2.gz DMBSDRVIGPZMKT-GUDVDZBRSA-N 1 3 318.461 2.674 20 0 DFADHO COc1ccc(COCCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367612604 429685012 /nfs/dbraw/zinc/68/50/12/429685012.db2.gz DMBSDRVIGPZMKT-GUDVDZBRSA-N 1 3 318.461 2.674 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN(C)CC[C@@H]([NH3+])C(C)C ZINC000430579272 429695356 /nfs/dbraw/zinc/69/53/56/429695356.db2.gz YJPYPELGLQXHNX-OAHLLOKOSA-N 1 3 309.429 2.768 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCc2nc(-c3ccccc3)no2)C1 ZINC000430583780 429696121 /nfs/dbraw/zinc/69/61/21/429696121.db2.gz TUJBPACJEXHYON-GDBMZVCRSA-N 1 3 314.433 2.728 20 0 DFADHO CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H](C)N ZINC000430613433 429702042 /nfs/dbraw/zinc/70/20/42/429702042.db2.gz VMLHPZIHWMPXLR-ZFWWWQNUSA-N 1 3 321.490 2.939 20 0 DFADHO CSc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)N ZINC000430613433 429702046 /nfs/dbraw/zinc/70/20/46/429702046.db2.gz VMLHPZIHWMPXLR-ZFWWWQNUSA-N 1 3 321.490 2.939 20 0 DFADHO Cc1cc(CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)ccc1F ZINC000367724144 429707175 /nfs/dbraw/zinc/70/71/75/429707175.db2.gz WBIMGPFAPPJPQD-SFHVURJKSA-N 1 3 319.468 2.594 20 0 DFADHO Cc1cc(C[N@H+]2CCC[C@@H](CN3CCN(C)CC3)C2)ccc1F ZINC000367724144 429707176 /nfs/dbraw/zinc/70/71/76/429707176.db2.gz WBIMGPFAPPJPQD-SFHVURJKSA-N 1 3 319.468 2.594 20 0 DFADHO Cc1cc(C[N@@H+]2CCC[C@@H](CN3CCN(C)CC3)C2)ccc1F ZINC000367724144 429707180 /nfs/dbraw/zinc/70/71/80/429707180.db2.gz WBIMGPFAPPJPQD-SFHVURJKSA-N 1 3 319.468 2.594 20 0 DFADHO C(N1CCC[C@@H]1C1CC1)C1(C[N@@H+]2CCC[C@@H]2C2CC2)COC1 ZINC000367794167 429719305 /nfs/dbraw/zinc/71/93/05/429719305.db2.gz KYPPRJKTQGFDON-QZTJIDSGSA-N 1 3 304.478 2.752 20 0 DFADHO C(N1CCC[C@@H]1C1CC1)C1(C[N@H+]2CCC[C@@H]2C2CC2)COC1 ZINC000367794167 429719307 /nfs/dbraw/zinc/71/93/07/429719307.db2.gz KYPPRJKTQGFDON-QZTJIDSGSA-N 1 3 304.478 2.752 20 0 DFADHO c1cnc(Oc2ccc(CN3CCC4(CC[NH2+]C4)CC3)cc2)cn1 ZINC000430914535 429723544 /nfs/dbraw/zinc/72/35/44/429723544.db2.gz LKBFIMFXNXRARU-UHFFFAOYSA-N 1 3 324.428 2.844 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@H]1CCCN1CC1CCCCC1 ZINC000482892841 429727708 /nfs/dbraw/zinc/72/77/08/429727708.db2.gz YSKGOBHORPZWPJ-NZSAHSFTSA-N 1 3 307.526 2.961 20 0 DFADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCN(C)Cc1ccccc1 ZINC000450980928 429744860 /nfs/dbraw/zinc/74/48/60/429744860.db2.gz HCRCSOWOXNMIBM-PKOBYXMFSA-N 1 3 301.478 2.677 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432093045 429800012 /nfs/dbraw/zinc/80/00/12/429800012.db2.gz ZYHGJNSRHMPBLJ-DLBZAZTESA-N 1 3 316.493 2.883 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432093045 429800014 /nfs/dbraw/zinc/80/00/14/429800014.db2.gz ZYHGJNSRHMPBLJ-DLBZAZTESA-N 1 3 316.493 2.883 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432093045 429800019 /nfs/dbraw/zinc/80/00/19/429800019.db2.gz ZYHGJNSRHMPBLJ-DLBZAZTESA-N 1 3 316.493 2.883 20 0 DFADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432093045 429800021 /nfs/dbraw/zinc/80/00/21/429800021.db2.gz ZYHGJNSRHMPBLJ-DLBZAZTESA-N 1 3 316.493 2.883 20 0 DFADHO C[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@H]1CC1(C)C ZINC000486943355 429754720 /nfs/dbraw/zinc/75/47/20/429754720.db2.gz WKOXDQUVPANDTE-WMLDXEAASA-N 1 3 317.477 2.502 20 0 DFADHO C[C@H]1C[C@H]1[N@@H+]1CCN(CCN(C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057267 429756957 /nfs/dbraw/zinc/75/69/57/429756957.db2.gz CQVBNHWJIBYGDM-WSTZPKSXSA-N 1 3 315.505 2.781 20 0 DFADHO C[C@H]1C[C@H]1[N@H+]1CCN(CCN(C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057267 429756960 /nfs/dbraw/zinc/75/69/60/429756960.db2.gz CQVBNHWJIBYGDM-WSTZPKSXSA-N 1 3 315.505 2.781 20 0 DFADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CCN(C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057264 429757426 /nfs/dbraw/zinc/75/74/26/429757426.db2.gz CQVBNHWJIBYGDM-GGPKGHCWSA-N 1 3 315.505 2.781 20 0 DFADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(CCN(C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057264 429757430 /nfs/dbraw/zinc/75/74/30/429757430.db2.gz CQVBNHWJIBYGDM-GGPKGHCWSA-N 1 3 315.505 2.781 20 0 DFADHO c1cc2ccc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)cc2[nH]1 ZINC000527662944 429775156 /nfs/dbraw/zinc/77/51/56/429775156.db2.gz UVKRTHLKAMJHNP-INIZCTEOSA-N 1 3 313.445 2.758 20 0 DFADHO COc1cccc2c(C[NH2+]CCOCCN(C)C)cccc12 ZINC000451158550 429778374 /nfs/dbraw/zinc/77/83/74/429778374.db2.gz ZTPDYFSVCWYELW-UHFFFAOYSA-N 1 3 302.418 2.516 20 0 DFADHO C[C@@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)[C@@H]1C[C@H]1C1CC1 ZINC000527687892 429780283 /nfs/dbraw/zinc/78/02/83/429780283.db2.gz NVVDHWKHKMFUAO-COXVUDFISA-N 1 3 303.450 2.546 20 0 DFADHO C[C@H]1CCCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000431749390 429781505 /nfs/dbraw/zinc/78/15/05/429781505.db2.gz KVAHYJPDPSOMTO-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]1CCCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000431749390 429781509 /nfs/dbraw/zinc/78/15/09/429781509.db2.gz KVAHYJPDPSOMTO-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)[C@@H]1C[C@H]1C1CC1 ZINC000527710155 429783487 /nfs/dbraw/zinc/78/34/87/429783487.db2.gz OKXRDCMBNAZIMF-JLSDUUJJSA-N 1 3 317.477 2.936 20 0 DFADHO CN(C)c1ccncc1C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000527751072 429792992 /nfs/dbraw/zinc/79/29/92/429792992.db2.gz GKZUADSTKAKOHO-QGZVFWFLSA-N 1 3 302.466 2.644 20 0 DFADHO Cc1cn[nH]c1C[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC000368259147 429818464 /nfs/dbraw/zinc/81/84/64/429818464.db2.gz ORIVZRAYCYAYDI-UHFFFAOYSA-N 1 3 316.424 2.859 20 0 DFADHO C[C@@H](C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)Cc1ccccc1 ZINC000368375100 429839434 /nfs/dbraw/zinc/83/94/34/429839434.db2.gz RMAIKEZGNLYQHB-MJGOQNOKSA-N 1 3 315.505 2.623 20 0 DFADHO Cc1ncc(CN2CC[C@H](Nc3cc[nH+]c(C)c3)[C@@H](C)C2)s1 ZINC000368410506 429845103 /nfs/dbraw/zinc/84/51/03/429845103.db2.gz LLRZNCGUDBKVKF-SJCJKPOMSA-N 1 3 316.474 2.899 20 0 DFADHO CC(C)[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000432831847 429845199 /nfs/dbraw/zinc/84/51/99/429845199.db2.gz VYMMNBMBVYWEIE-XUVXKRRUSA-N 1 3 316.489 2.990 20 0 DFADHO CC(C)[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000432831847 429845202 /nfs/dbraw/zinc/84/52/02/429845202.db2.gz VYMMNBMBVYWEIE-XUVXKRRUSA-N 1 3 316.489 2.990 20 0 DFADHO Cc1ccc2nccc(NCCC[N@@H+]3CCCO[C@H](C)C3)c2c1 ZINC000432877928 429847930 /nfs/dbraw/zinc/84/79/30/429847930.db2.gz OKTXDBVBPRUIJW-MRXNPFEDSA-N 1 3 313.445 2.878 20 0 DFADHO Cc1ccc2nccc(NCCC[N@H+]3CCCO[C@H](C)C3)c2c1 ZINC000432877928 429847934 /nfs/dbraw/zinc/84/79/34/429847934.db2.gz OKTXDBVBPRUIJW-MRXNPFEDSA-N 1 3 313.445 2.878 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@]2(CC)CC[NH2+]C2)c1 ZINC000368510287 429859026 /nfs/dbraw/zinc/85/90/26/429859026.db2.gz NNISZDDWJQYCPZ-GOSISDBHSA-N 1 3 303.450 2.857 20 0 DFADHO CC[C@H](C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1)N(C)C ZINC000368564936 429868276 /nfs/dbraw/zinc/86/82/76/429868276.db2.gz XYEYQQUHGQLWEV-VMWRSERWSA-N 1 3 323.525 2.828 20 0 DFADHO C[N@@H+]1CCC[C@H](N2CCN([C@@H]3CCCc4ccccc43)CC2)C1 ZINC000369353290 429927219 /nfs/dbraw/zinc/92/72/19/429927219.db2.gz BXGYTPRHJFDRHS-AZUAARDMSA-N 1 3 313.489 2.776 20 0 DFADHO C[N@H+]1CCC[C@H](N2CCN([C@@H]3CCCc4ccccc43)CC2)C1 ZINC000369353290 429927221 /nfs/dbraw/zinc/92/72/21/429927221.db2.gz BXGYTPRHJFDRHS-AZUAARDMSA-N 1 3 313.489 2.776 20 0 DFADHO CC[C@]1(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)OCCc2ccccc21 ZINC000558500703 429975540 /nfs/dbraw/zinc/97/55/40/429975540.db2.gz JTUSYJUWPVWSFE-KFKAGJAMSA-N 1 3 302.462 2.794 20 0 DFADHO CC[C@]1(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)OCCc2ccccc21 ZINC000558500703 429975545 /nfs/dbraw/zinc/97/55/45/429975545.db2.gz JTUSYJUWPVWSFE-KFKAGJAMSA-N 1 3 302.462 2.794 20 0 DFADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1cccc3c1CCOC3)C2 ZINC000639659837 429937744 /nfs/dbraw/zinc/93/77/44/429937744.db2.gz PRYSUUDHCAJSGC-IBGZPJMESA-N 1 3 300.446 2.677 20 0 DFADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1cccc3c1CCOC3)C2 ZINC000639659837 429937747 /nfs/dbraw/zinc/93/77/47/429937747.db2.gz PRYSUUDHCAJSGC-IBGZPJMESA-N 1 3 300.446 2.677 20 0 DFADHO O[C@@H](CC1CCCC1)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639684188 429946925 /nfs/dbraw/zinc/94/69/25/429946925.db2.gz SWAKTKJQVGJLOS-SFHVURJKSA-N 1 3 303.450 2.535 20 0 DFADHO O[C@@H](CC1CCCC1)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639684188 429946927 /nfs/dbraw/zinc/94/69/27/429946927.db2.gz SWAKTKJQVGJLOS-SFHVURJKSA-N 1 3 303.450 2.535 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)[C@H]1CCCNC1 ZINC000574307561 430030755 /nfs/dbraw/zinc/03/07/55/430030755.db2.gz ISQNBPNVJHMJMG-JYJNAYRXSA-N 1 3 305.441 2.630 20 0 DFADHO CC[C@@H](C)C[C@@H](CC)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000574215041 430022628 /nfs/dbraw/zinc/02/26/28/430022628.db2.gz VTUYJSWKSCABDL-IAGOWNOFSA-N 1 3 311.514 2.783 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000530220932 430105902 /nfs/dbraw/zinc/10/59/02/430105902.db2.gz KQQYHZKVSOUBDV-QXAKKESOSA-N 1 3 320.452 2.847 20 0 DFADHO Cc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000530241144 430108181 /nfs/dbraw/zinc/10/81/81/430108181.db2.gz IINYCJFOFNQKSG-QGZVFWFLSA-N 1 3 306.425 2.725 20 0 DFADHO COc1cc2c(cc1CN(C)CC1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000560513567 430051906 /nfs/dbraw/zinc/05/19/06/430051906.db2.gz WDVGMRWESZPFLB-AWEZNQCLSA-N 1 3 318.461 2.792 20 0 DFADHO C[NH+](C)CCCCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000560608569 430059292 /nfs/dbraw/zinc/05/92/92/430059292.db2.gz SAOSCFONJFIVKX-GOSISDBHSA-N 1 3 317.477 2.672 20 0 DFADHO C[NH+](C)CCCCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000560608570 430059456 /nfs/dbraw/zinc/05/94/56/430059456.db2.gz SAOSCFONJFIVKX-SFHVURJKSA-N 1 3 317.477 2.672 20 0 DFADHO O[C@]1(CN[C@H]2C[C@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634643553 430062958 /nfs/dbraw/zinc/06/29/58/430062958.db2.gz DRBXLUMTVMLBFA-ACRUOGEOSA-N 1 3 322.452 2.769 20 0 DFADHO O[C@]1(CN[C@H]2C[C@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634643553 430062963 /nfs/dbraw/zinc/06/29/63/430062963.db2.gz DRBXLUMTVMLBFA-ACRUOGEOSA-N 1 3 322.452 2.769 20 0 DFADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000634679386 430073626 /nfs/dbraw/zinc/07/36/26/430073626.db2.gz STMDGPQKPIXRSE-MRXNPFEDSA-N 1 3 306.450 2.674 20 0 DFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000561074578 430074283 /nfs/dbraw/zinc/07/42/83/430074283.db2.gz UVEATJRAGJRSNM-SJLPKXTDSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000561074578 430074288 /nfs/dbraw/zinc/07/42/88/430074288.db2.gz UVEATJRAGJRSNM-SJLPKXTDSA-N 1 3 317.477 2.526 20 0 DFADHO c1ccc([C@H]2OCC[C@@H]2NCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000581078207 430176254 /nfs/dbraw/zinc/17/62/54/430176254.db2.gz ZFWRAYNOUQVYBW-VQTJNVASSA-N 1 3 308.425 2.952 20 0 DFADHO CC[C@@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000530641361 430120729 /nfs/dbraw/zinc/12/07/29/430120729.db2.gz LZWWLELJVIVFDV-KRWDZBQOSA-N 1 3 319.493 2.522 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCc4cc(F)ccc43)C2)CC1 ZINC000370625182 277028980 /nfs/dbraw/zinc/02/89/80/277028980.db2.gz VYWRFVYTIRCLFI-LPHOPBHVSA-N 1 3 317.452 2.571 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000274256838 277032106 /nfs/dbraw/zinc/03/21/06/277032106.db2.gz JGFHFELEDRWTMB-IAGOWNOFSA-N 1 3 302.462 2.615 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000581200394 430188529 /nfs/dbraw/zinc/18/85/29/430188529.db2.gz GNOZKCFEXFEFPG-ROUUACIJSA-N 1 3 308.441 2.535 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000581200394 430188534 /nfs/dbraw/zinc/18/85/34/430188534.db2.gz GNOZKCFEXFEFPG-ROUUACIJSA-N 1 3 308.441 2.535 20 0 DFADHO CCC[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccccn1 ZINC000635007898 430193127 /nfs/dbraw/zinc/19/31/27/430193127.db2.gz GZGDDRBPKBMVEP-QGZVFWFLSA-N 1 3 311.433 2.840 20 0 DFADHO CC(C)n1ccc(C[C@@H](C)NCC[C@H]([NH3+])Cc2ccccc2)n1 ZINC000635008152 430193996 /nfs/dbraw/zinc/19/39/96/430193996.db2.gz QVRGJGXOIZCUAJ-AEFFLSMTSA-N 1 3 314.477 2.945 20 0 DFADHO CC(C)n1ccc(C[C@@H](C)[NH2+]CC[C@H](N)Cc2ccccc2)n1 ZINC000635008152 430194003 /nfs/dbraw/zinc/19/40/03/430194003.db2.gz QVRGJGXOIZCUAJ-AEFFLSMTSA-N 1 3 314.477 2.945 20 0 DFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000300201768 277201882 /nfs/dbraw/zinc/20/18/82/277201882.db2.gz AMTPKTXKWARXFK-XUWVNRHRSA-N 1 3 323.481 2.649 20 0 DFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000300201768 277201884 /nfs/dbraw/zinc/20/18/84/277201884.db2.gz AMTPKTXKWARXFK-XUWVNRHRSA-N 1 3 323.481 2.649 20 0 DFADHO COc1ccccc1[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010626 430195755 /nfs/dbraw/zinc/19/57/55/430195755.db2.gz UEEXTKFHRASAKZ-AWEZNQCLSA-N 1 3 312.417 2.673 20 0 DFADHO COc1cccc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c1 ZINC000635009240 430196533 /nfs/dbraw/zinc/19/65/33/430196533.db2.gz MLSAWFUJJKQMRJ-CQSZACIVSA-N 1 3 312.417 2.673 20 0 DFADHO Cc1cc(N2CCC(N[C@@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)n[nH]1 ZINC000581304622 430198197 /nfs/dbraw/zinc/19/81/97/430198197.db2.gz RYSCIZXVMVPJKH-YOEHRIQHSA-N 1 3 319.497 2.587 20 0 DFADHO CC(C)CCNC(=[NH2+])NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000370160093 277354956 /nfs/dbraw/zinc/35/49/56/277354956.db2.gz FODIYWQVMLDTER-HIFRSBDPSA-N 1 3 308.495 2.901 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000566230054 430249652 /nfs/dbraw/zinc/24/96/52/430249652.db2.gz CBLQQKLRPKKDFP-OAHLLOKOSA-N 1 3 311.429 2.961 20 0 DFADHO COC[C@H](C)C[N@@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000566230201 430249827 /nfs/dbraw/zinc/24/98/27/430249827.db2.gz QXGWIHQGVXBBGI-NEWSRXKRSA-N 1 3 304.478 2.941 20 0 DFADHO COC[C@H](C)C[N@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000566230201 430249833 /nfs/dbraw/zinc/24/98/33/430249833.db2.gz QXGWIHQGVXBBGI-NEWSRXKRSA-N 1 3 304.478 2.941 20 0 DFADHO COC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000566230202 430251009 /nfs/dbraw/zinc/25/10/09/430251009.db2.gz QXGWIHQGVXBBGI-NZSAHSFTSA-N 1 3 304.478 2.941 20 0 DFADHO COC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000566230202 430251013 /nfs/dbraw/zinc/25/10/13/430251013.db2.gz QXGWIHQGVXBBGI-NZSAHSFTSA-N 1 3 304.478 2.941 20 0 DFADHO CCCOc1ccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000582002696 430258011 /nfs/dbraw/zinc/25/80/11/430258011.db2.gz ASBNBONCOCTBRN-QGZVFWFLSA-N 1 3 318.461 2.663 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCOc2ccc(C(F)(F)F)cc2)C1 ZINC000566483875 430265456 /nfs/dbraw/zinc/26/54/56/430265456.db2.gz XNZWPWXBKUJKAA-QWHCGFSZSA-N 1 3 302.340 2.944 20 0 DFADHO c1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](N2CCOCC2)CC1 ZINC000567179512 430279073 /nfs/dbraw/zinc/27/90/73/430279073.db2.gz ILFHPHNPHYFQPW-MRXNPFEDSA-N 1 3 311.429 2.926 20 0 DFADHO c1ccc2c(c1)nccc2N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000567179512 430279074 /nfs/dbraw/zinc/27/90/74/430279074.db2.gz ILFHPHNPHYFQPW-MRXNPFEDSA-N 1 3 311.429 2.926 20 0 DFADHO CN(CC(=O)NC1CC[NH+](CC2CCCC2)CC1)CC(C)(C)C ZINC000635447662 430282084 /nfs/dbraw/zinc/28/20/84/430282084.db2.gz SDOCBQGKRYTYAQ-UHFFFAOYSA-N 1 3 323.525 2.735 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638068311 430227152 /nfs/dbraw/zinc/22/71/52/430227152.db2.gz WTXDLLKQQVDAHA-IXDOHACOSA-N 1 3 311.514 2.624 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638068311 430227157 /nfs/dbraw/zinc/22/71/57/430227157.db2.gz WTXDLLKQQVDAHA-IXDOHACOSA-N 1 3 311.514 2.624 20 0 DFADHO CC[NH2+][C@H](C)C(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000638079626 430227907 /nfs/dbraw/zinc/22/79/07/430227907.db2.gz PASJAOLPKUOSCI-SOLBZPMBSA-N 1 3 317.477 2.668 20 0 DFADHO CCO[C@@H]1C[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666447 430229627 /nfs/dbraw/zinc/22/96/27/430229627.db2.gz DSUZNJZLPMYZRW-KZNAEPCWSA-N 1 3 300.446 2.951 20 0 DFADHO CCO[C@@H]1C[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666447 430229631 /nfs/dbraw/zinc/22/96/31/430229631.db2.gz DSUZNJZLPMYZRW-KZNAEPCWSA-N 1 3 300.446 2.951 20 0 DFADHO CC(C)CC[C@H](N)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000638086868 430229709 /nfs/dbraw/zinc/22/97/09/430229709.db2.gz KXDKBOBYSLBZFS-KRWDZBQOSA-N 1 3 309.498 2.521 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000638273031 430289926 /nfs/dbraw/zinc/28/99/26/430289926.db2.gz GOZLBLUCXQBECY-NCOADZHNSA-N 1 3 309.498 2.614 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC000635494346 430293310 /nfs/dbraw/zinc/29/33/10/430293310.db2.gz HXPVOOZUYSOLLQ-OAHLLOKOSA-N 1 3 317.477 2.574 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000638289703 430296024 /nfs/dbraw/zinc/29/60/24/430296024.db2.gz APFOTRFKMJEVER-SFHVURJKSA-N 1 3 323.525 2.865 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)[C@]12CCCO2 ZINC000638302679 430298787 /nfs/dbraw/zinc/29/87/87/430298787.db2.gz KWOYSOWWCRLULH-BSDSXHPESA-N 1 3 310.482 2.567 20 0 DFADHO Cc1ccc(C[C@@H]2CCCN(C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000582449336 430301180 /nfs/dbraw/zinc/30/11/80/430301180.db2.gz XAUVWTJQVSBJSS-AZUAARDMSA-N 1 3 316.489 2.705 20 0 DFADHO Cc1ccc(C[C@@H]2CCCN(C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000582449336 430301184 /nfs/dbraw/zinc/30/11/84/430301184.db2.gz XAUVWTJQVSBJSS-AZUAARDMSA-N 1 3 316.489 2.705 20 0 DFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCCCN2)C1 ZINC000567985720 430302011 /nfs/dbraw/zinc/30/20/11/430302011.db2.gz NZAGQLHWUKOTGC-HZPDHXFCSA-N 1 3 309.498 2.535 20 0 DFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCCCN2)C1 ZINC000567985720 430302013 /nfs/dbraw/zinc/30/20/13/430302013.db2.gz NZAGQLHWUKOTGC-HZPDHXFCSA-N 1 3 309.498 2.535 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC[C@H](OC)[C@@H]1CCOC1 ZINC000638313365 430302318 /nfs/dbraw/zinc/30/23/18/430302318.db2.gz UUEPYIIFTBHKHK-MOPGFXCFSA-N 1 3 320.477 2.670 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@H]3CCCO3)C2)s1 ZINC000567994178 430304462 /nfs/dbraw/zinc/30/44/62/430304462.db2.gz FKNMJVLBEJQBTA-JKSUJKDBSA-N 1 3 308.491 2.989 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@H]3CCCO3)C2)s1 ZINC000567994178 430304465 /nfs/dbraw/zinc/30/44/65/430304465.db2.gz FKNMJVLBEJQBTA-JKSUJKDBSA-N 1 3 308.491 2.989 20 0 DFADHO CCC(CC)[C@H](CN[C@@H](C)C[C@H]1CCCC(=O)N1)[NH+]1CCCC1 ZINC000638349965 430312223 /nfs/dbraw/zinc/31/22/23/430312223.db2.gz XPERVCOPUGEIBC-JQHSSLGASA-N 1 3 323.525 2.924 20 0 DFADHO CN(C)CCOc1cccc(C[NH2+]CCC2CCOCC2)c1 ZINC000638381779 430325230 /nfs/dbraw/zinc/32/52/30/430325230.db2.gz PINUTZDDMOLXPY-UHFFFAOYSA-N 1 3 306.450 2.533 20 0 DFADHO COc1cc(C[C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)ccn1 ZINC000638390952 430326853 /nfs/dbraw/zinc/32/68/53/430326853.db2.gz MYPNYFIEWNODCD-CVEARBPZSA-N 1 3 305.466 2.733 20 0 DFADHO COc1cc(C[C@H](C)NC[C@@H](C)C[NH+]2CCCCC2)ccn1 ZINC000638390952 430326856 /nfs/dbraw/zinc/32/68/56/430326856.db2.gz MYPNYFIEWNODCD-CVEARBPZSA-N 1 3 305.466 2.733 20 0 DFADHO COCCOCCN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638417388 430336205 /nfs/dbraw/zinc/33/62/05/430336205.db2.gz FTMOBQCYSQBZFU-HKUYNNGSSA-N 1 3 318.461 2.607 20 0 DFADHO COCCOCCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638417388 430336210 /nfs/dbraw/zinc/33/62/10/430336210.db2.gz FTMOBQCYSQBZFU-HKUYNNGSSA-N 1 3 318.461 2.607 20 0 DFADHO C[C@@H](O)CN(Cc1ccccc1)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000582899479 430344664 /nfs/dbraw/zinc/34/46/64/430344664.db2.gz PHQXMHCGVAWRHN-QAPCUYQASA-N 1 3 316.420 2.751 20 0 DFADHO C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H](CN)c1ccc(F)cc1 ZINC000582899479 430344667 /nfs/dbraw/zinc/34/46/67/430344667.db2.gz PHQXMHCGVAWRHN-QAPCUYQASA-N 1 3 316.420 2.751 20 0 DFADHO C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H](CN)c1ccc(F)cc1 ZINC000582899479 430344669 /nfs/dbraw/zinc/34/46/69/430344669.db2.gz PHQXMHCGVAWRHN-QAPCUYQASA-N 1 3 316.420 2.751 20 0 DFADHO CC[C@](C)(C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)OC ZINC000638521995 430366286 /nfs/dbraw/zinc/36/62/86/430366286.db2.gz TXZRSUVRBHRUSQ-RBUKOAKNSA-N 1 3 304.478 2.956 20 0 DFADHO CC(C)[C@@H]1C[C@@H](NCc2ccncc2OCC[NH+](C)C)CS1 ZINC000568566753 430371197 /nfs/dbraw/zinc/37/11/97/430371197.db2.gz XGWQSGPASNJBDE-WBVHZDCISA-N 1 3 323.506 2.642 20 0 DFADHO CC(C)[C@H]1C[C@H](NCc2ccncc2OCC[NH+](C)C)CS1 ZINC000568566737 430371396 /nfs/dbraw/zinc/37/13/96/430371396.db2.gz XGWQSGPASNJBDE-DOTOQJQBSA-N 1 3 323.506 2.642 20 0 DFADHO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000638722470 430417410 /nfs/dbraw/zinc/41/74/10/430417410.db2.gz YEQRHYPKHWTCHS-RDJZCZTQSA-N 1 3 321.509 2.820 20 0 DFADHO C[C@@H](C[C@@H]1CCCC(=O)N1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000638722470 430417411 /nfs/dbraw/zinc/41/74/11/430417411.db2.gz YEQRHYPKHWTCHS-RDJZCZTQSA-N 1 3 321.509 2.820 20 0 DFADHO CO[C@@H](C[NH2+]C[C@@H]1CCCN(C(C)C)C1)Cc1ccccc1 ZINC000638566786 430377852 /nfs/dbraw/zinc/37/78/52/430377852.db2.gz QNBPYVYDEKYWEH-RBUKOAKNSA-N 1 3 304.478 2.954 20 0 DFADHO CN(CCCC[NH+]1CCCCC1)C(=O)[C@@H](C1CC1)N1CCCC1 ZINC000641673484 430440578 /nfs/dbraw/zinc/44/05/78/430440578.db2.gz RBBCHQKDDSTWKJ-GOSISDBHSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641707678 430447630 /nfs/dbraw/zinc/44/76/30/430447630.db2.gz OWXVKAKOFGSENX-CQSZACIVSA-N 1 3 316.449 2.870 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641707678 430447633 /nfs/dbraw/zinc/44/76/33/430447633.db2.gz OWXVKAKOFGSENX-CQSZACIVSA-N 1 3 316.449 2.870 20 0 DFADHO Nc1c(F)cccc1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000638837067 430449701 /nfs/dbraw/zinc/44/97/01/430449701.db2.gz OCPXMPWZLBFDAD-UHFFFAOYSA-N 1 3 314.408 2.809 20 0 DFADHO C[C@@H](C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000638850710 430455201 /nfs/dbraw/zinc/45/52/01/430455201.db2.gz GTEAKSLSFPBNSL-SOLBZPMBSA-N 1 3 317.477 2.531 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)N(C)C ZINC000638867172 430461000 /nfs/dbraw/zinc/46/10/00/430461000.db2.gz YZRAWBIDCTYJJM-HHXXYDBFSA-N 1 3 301.478 2.894 20 0 DFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548393081 430468506 /nfs/dbraw/zinc/46/85/06/430468506.db2.gz KNXUMFBEIWQEPX-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548393081 430468511 /nfs/dbraw/zinc/46/85/11/430468511.db2.gz KNXUMFBEIWQEPX-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO CN(C)C1(CN(C)C(=O)CC[N@H+](C)C2CCCCC2)CCC1 ZINC000548393193 430468803 /nfs/dbraw/zinc/46/88/03/430468803.db2.gz JZRGXLCQZCVJKZ-UHFFFAOYSA-N 1 3 309.498 2.584 20 0 DFADHO CN(C)C1(CN(C)C(=O)CC[N@@H+](C)C2CCCCC2)CCC1 ZINC000548393193 430468807 /nfs/dbraw/zinc/46/88/07/430468807.db2.gz JZRGXLCQZCVJKZ-UHFFFAOYSA-N 1 3 309.498 2.584 20 0 DFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548393317 430469177 /nfs/dbraw/zinc/46/91/77/430469177.db2.gz HPIWZEVSJOZUFE-MRXNPFEDSA-N 1 3 323.525 2.830 20 0 DFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548393317 430469180 /nfs/dbraw/zinc/46/91/80/430469180.db2.gz HPIWZEVSJOZUFE-MRXNPFEDSA-N 1 3 323.525 2.830 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCCCNC1 ZINC000583740554 430423981 /nfs/dbraw/zinc/42/39/81/430423981.db2.gz YGEHTAPCOQMLPA-SWLSCSKDSA-N 1 3 309.841 2.789 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC3(C)C)CC2)CC1 ZINC000569116939 430424267 /nfs/dbraw/zinc/42/42/67/430424267.db2.gz NKKHDNPXKSRMCI-UHFFFAOYSA-N 1 3 321.509 2.584 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000638975291 430486634 /nfs/dbraw/zinc/48/66/34/430486634.db2.gz JESNXUXTTLZLIC-DOTOQJQBSA-N 1 3 317.477 2.655 20 0 DFADHO C[C@@H](C(=O)N1CC[C@H](C[NH3+])c2ccccc21)N1CCCCCC1 ZINC000639067677 430511126 /nfs/dbraw/zinc/51/11/26/430511126.db2.gz KTWBXLGTFBLFKO-JKSUJKDBSA-N 1 3 315.461 2.730 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@@H+]1CCCC12CCN(C)CC2 ZINC000639082826 430518021 /nfs/dbraw/zinc/51/80/21/430518021.db2.gz YAIUWLVSQDKHQS-GOSISDBHSA-N 1 3 302.462 2.804 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@H+]1CCCC12CCN(C)CC2 ZINC000639082826 430518024 /nfs/dbraw/zinc/51/80/24/430518024.db2.gz YAIUWLVSQDKHQS-GOSISDBHSA-N 1 3 302.462 2.804 20 0 DFADHO CSC[C@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000570202542 430523536 /nfs/dbraw/zinc/52/35/36/430523536.db2.gz MZVLHTRZYSIQGQ-ZWKOTPCHSA-N 1 3 322.518 2.602 20 0 DFADHO CSC[C@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000570202542 430523537 /nfs/dbraw/zinc/52/35/37/430523537.db2.gz MZVLHTRZYSIQGQ-ZWKOTPCHSA-N 1 3 322.518 2.602 20 0 DFADHO CSC[C@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000570202542 430523540 /nfs/dbraw/zinc/52/35/40/430523540.db2.gz MZVLHTRZYSIQGQ-ZWKOTPCHSA-N 1 3 322.518 2.602 20 0 DFADHO CN(C)[C@H]1CCC[N@H+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106185 430525550 /nfs/dbraw/zinc/52/55/50/430525550.db2.gz WXDHGZMETXSQEI-MSOLQXFVSA-N 1 3 301.478 2.929 20 0 DFADHO CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106185 430525555 /nfs/dbraw/zinc/52/55/55/430525555.db2.gz WXDHGZMETXSQEI-MSOLQXFVSA-N 1 3 301.478 2.929 20 0 DFADHO C[NH+](C)[C@H]1CCCN(C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106185 430525558 /nfs/dbraw/zinc/52/55/58/430525558.db2.gz WXDHGZMETXSQEI-MSOLQXFVSA-N 1 3 301.478 2.929 20 0 DFADHO CN(CCC[NH+]1CCCC1)C[C@H]1CCN(c2ccccc2)C1 ZINC000639131972 430537399 /nfs/dbraw/zinc/53/73/99/430537399.db2.gz CINOTZTVOGPDIM-GOSISDBHSA-N 1 3 301.478 2.931 20 0 DFADHO c1ccc2c(c1)C[C@H]([NH2+]C1CCN(C3CCCC3)CC1)CO2 ZINC000551063675 430548267 /nfs/dbraw/zinc/54/82/67/430548267.db2.gz YHTSBZFBODLZAJ-KRWDZBQOSA-N 1 3 300.446 2.987 20 0 DFADHO CC[C@H]1CCC[C@@H]([NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000552065324 430582889 /nfs/dbraw/zinc/58/28/89/430582889.db2.gz QXUACSYDKDWIEE-DLBZAZTESA-N 1 3 309.498 2.537 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643452981 430602048 /nfs/dbraw/zinc/60/20/48/430602048.db2.gz BBYCYZRBJKEAGN-KEYYUXOJSA-N 1 3 307.869 2.883 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2ccccc2OCCCCO)C1 ZINC000639257924 430589701 /nfs/dbraw/zinc/58/97/01/430589701.db2.gz ULPOIKVPPKFLBE-QGZVFWFLSA-N 1 3 320.477 2.659 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2ccccc2OCCCCO)C1 ZINC000639257924 430589704 /nfs/dbraw/zinc/58/97/04/430589704.db2.gz ULPOIKVPPKFLBE-QGZVFWFLSA-N 1 3 320.477 2.659 20 0 DFADHO CCC[NH+]1CCC(Nc2cccc(CN3CC[C@@H](O)C3)c2)CC1 ZINC000643349122 430590011 /nfs/dbraw/zinc/59/00/11/430590011.db2.gz LGVKLVVMKXYLQS-LJQANCHMSA-N 1 3 317.477 2.540 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2ccccc2OCCCCO)C1 ZINC000639257923 430590191 /nfs/dbraw/zinc/59/01/91/430590191.db2.gz ULPOIKVPPKFLBE-KRWDZBQOSA-N 1 3 320.477 2.659 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2ccccc2OCCCCO)C1 ZINC000639257923 430590193 /nfs/dbraw/zinc/59/01/93/430590193.db2.gz ULPOIKVPPKFLBE-KRWDZBQOSA-N 1 3 320.477 2.659 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCCNC1 ZINC000643453222 430602217 /nfs/dbraw/zinc/60/22/17/430602217.db2.gz POERXORAFSWRDQ-RRFJBIMHSA-N 1 3 323.431 2.769 20 0 DFADHO COc1cccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1OC ZINC000570953597 430593111 /nfs/dbraw/zinc/59/31/11/430593111.db2.gz RVKGAYXXINOMLT-ZACQAIPSSA-N 1 3 318.461 2.757 20 0 DFADHO Cc1nc2ccccc2n1CCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643366956 430593402 /nfs/dbraw/zinc/59/34/02/430593402.db2.gz LTDBSSPPWIRZIV-CALCHBBNSA-N 1 3 312.461 2.666 20 0 DFADHO Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@H](N)C3)cc2)n1 ZINC000570984964 430593600 /nfs/dbraw/zinc/59/36/00/430593600.db2.gz ADDMSNYRQJAIID-ZWKOTPCHSA-N 1 3 312.461 2.891 20 0 DFADHO Cc1cc(C)n(-c2ccc(CCN[C@@H]3CCC[C@H]([NH3+])C3)cc2)n1 ZINC000570984964 430593604 /nfs/dbraw/zinc/59/36/04/430593604.db2.gz ADDMSNYRQJAIID-ZWKOTPCHSA-N 1 3 312.461 2.891 20 0 DFADHO COCC[N@H+](C[C@H](CN)c1ccc(OC)cc1)C1CCCC1 ZINC000643057601 430545807 /nfs/dbraw/zinc/54/58/07/430545807.db2.gz ZZTNFCRGFLORMG-INIZCTEOSA-N 1 3 306.450 2.629 20 0 DFADHO COCC[N@@H+](C[C@H](CN)c1ccc(OC)cc1)C1CCCC1 ZINC000643057601 430545810 /nfs/dbraw/zinc/54/58/10/430545810.db2.gz ZZTNFCRGFLORMG-INIZCTEOSA-N 1 3 306.450 2.629 20 0 DFADHO C[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000571753777 430651123 /nfs/dbraw/zinc/65/11/23/430651123.db2.gz FFBHELPDBJPSAE-BEFAXECRSA-N 1 3 317.477 2.691 20 0 DFADHO Cc1ccc(CNC[C@@H]2CCC[N@H+](C)C2)c(-c2ccnn2C)c1 ZINC000554919313 430656230 /nfs/dbraw/zinc/65/62/30/430656230.db2.gz UKPTWVZJLOPAMD-INIZCTEOSA-N 1 3 312.461 2.827 20 0 DFADHO Cc1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)c(-c2ccnn2C)c1 ZINC000554919313 430656233 /nfs/dbraw/zinc/65/62/33/430656233.db2.gz UKPTWVZJLOPAMD-INIZCTEOSA-N 1 3 312.461 2.827 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCCNC1 ZINC000643453223 430603025 /nfs/dbraw/zinc/60/30/25/430603025.db2.gz POERXORAFSWRDQ-SOUVJXGZSA-N 1 3 323.431 2.769 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(CC(F)F)CC1 ZINC000643460036 430603669 /nfs/dbraw/zinc/60/36/69/430603669.db2.gz NCLWLPATTUMFFX-ZFWWWQNUSA-N 1 3 303.441 2.616 20 0 DFADHO O=c1ccc2c([nH]1)CCC[C@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000552922574 430603822 /nfs/dbraw/zinc/60/38/22/430603822.db2.gz JWODPEFAUQSTHW-MRXNPFEDSA-N 1 3 301.434 2.629 20 0 DFADHO CCN(Cc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1)C1CC1 ZINC000571101777 430603990 /nfs/dbraw/zinc/60/39/90/430603990.db2.gz CSLSMLYPMLIFHI-PBHICJAKSA-N 1 3 315.461 2.623 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457546 430604120 /nfs/dbraw/zinc/60/41/20/430604120.db2.gz KXABGFSRFZEBLP-UVBJJODRSA-N 1 3 321.852 2.706 20 0 DFADHO N[C@H]1CCCCC[C@@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000643459660 430604192 /nfs/dbraw/zinc/60/41/92/430604192.db2.gz LOAYRXGBDBNZHY-ROUUACIJSA-N 1 3 312.461 2.724 20 0 DFADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1nccn1Cc1ccccc1 ZINC000643459660 430604194 /nfs/dbraw/zinc/60/41/94/430604194.db2.gz LOAYRXGBDBNZHY-ROUUACIJSA-N 1 3 312.461 2.724 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1ccnn1C)C(C)C ZINC000643484328 430606805 /nfs/dbraw/zinc/60/68/05/430606805.db2.gz WFMOSJCWKSOADM-CXAGYDPISA-N 1 3 315.465 2.673 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000571156507 430607570 /nfs/dbraw/zinc/60/75/70/430607570.db2.gz LNPSQRWIRHVDAX-SRVCANOKSA-N 1 3 318.461 2.574 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000571156507 430607572 /nfs/dbraw/zinc/60/75/72/430607572.db2.gz LNPSQRWIRHVDAX-SRVCANOKSA-N 1 3 318.461 2.574 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000571156505 430608259 /nfs/dbraw/zinc/60/82/59/430608259.db2.gz LNPSQRWIRHVDAX-IREHDKGXSA-N 1 3 318.461 2.574 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000571156505 430608263 /nfs/dbraw/zinc/60/82/63/430608263.db2.gz LNPSQRWIRHVDAX-IREHDKGXSA-N 1 3 318.461 2.574 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000643512484 430611605 /nfs/dbraw/zinc/61/16/05/430611605.db2.gz MQCFTSFVBVDSEN-WBAXXEDZSA-N 1 3 310.445 2.967 20 0 DFADHO CC(=O)Nc1cccc([C@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000643532937 430612758 /nfs/dbraw/zinc/61/27/58/430612758.db2.gz BEFBVBUDZLBFLV-UYHISHBKSA-N 1 3 301.434 2.684 20 0 DFADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1ccccc1-n1ccnn1 ZINC000643547629 430615511 /nfs/dbraw/zinc/61/55/11/430615511.db2.gz IOHBHTRXLOKOBG-GJZGRUSLSA-N 1 3 311.433 2.593 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639359630 430619638 /nfs/dbraw/zinc/61/96/38/430619638.db2.gz OLSHRRJRQOJZBL-NZSAHSFTSA-N 1 3 302.462 2.913 20 0 DFADHO CO[C@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000639359408 430620167 /nfs/dbraw/zinc/62/01/67/430620167.db2.gz MGFABKKLWUWVGO-ZYSHUDEJSA-N 1 3 302.462 2.769 20 0 DFADHO CO[C@H](CNC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000639359408 430620170 /nfs/dbraw/zinc/62/01/70/430620170.db2.gz MGFABKKLWUWVGO-ZYSHUDEJSA-N 1 3 302.462 2.769 20 0 DFADHO CO[C@H](CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000639359408 430620172 /nfs/dbraw/zinc/62/01/72/430620172.db2.gz MGFABKKLWUWVGO-ZYSHUDEJSA-N 1 3 302.462 2.769 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2)CC1 ZINC000571658473 430644710 /nfs/dbraw/zinc/64/47/10/430644710.db2.gz IXXNQNXKDOUUDF-LJQANCHMSA-N 1 3 313.489 2.856 20 0 DFADHO C[C@@H](c1ccccc1)[C@H](O)CNC1CC[NH+](C2CCC2)CC1 ZINC000572028540 430667610 /nfs/dbraw/zinc/66/76/10/430667610.db2.gz BYFUNOUUMYEXDM-HNAYVOBHSA-N 1 3 302.462 2.758 20 0 DFADHO C[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000572257769 430678249 /nfs/dbraw/zinc/67/82/49/430678249.db2.gz QIFDNGALBSHFFO-YTQUADARSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@H](C(=O)N1CCC([NH2+]C2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000369479245 278136625 /nfs/dbraw/zinc/13/66/25/278136625.db2.gz UCNOTZWNIBKUGT-OWCLPIDISA-N 1 3 321.509 2.771 20 0 DFADHO C[C@H](C(=O)N[C@@H](CN(C)C)c1ccccc1)[NH+]1CCCCCC1 ZINC000114227384 278152765 /nfs/dbraw/zinc/15/27/65/278152765.db2.gz LEOBCSVKPRILAK-AEFFLSMTSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@H](CC[NH2+][C@H]1CCN(C)[C@H](C)C1)N(C)Cc1ccccc1 ZINC000156196299 278174114 /nfs/dbraw/zinc/17/41/14/278174114.db2.gz JCHQXSFIESPDGQ-LMMKCTJWSA-N 1 3 303.494 2.969 20 0 DFADHO O=C(C[NH2+][C@@H]1CCCC12CCCC2)NCCN1CCCCCC1 ZINC000572668742 430694269 /nfs/dbraw/zinc/69/42/69/430694269.db2.gz VYWDGDVLXCTLEC-QGZVFWFLSA-N 1 3 321.509 2.681 20 0 DFADHO C[C@@H](N[C@@H]1CC[N@@H+](C2CCCCCC2)C1)C(C)(C)n1cncn1 ZINC000377740058 278373003 /nfs/dbraw/zinc/37/30/03/278373003.db2.gz BSRGTLIAPISRDO-HZPDHXFCSA-N 1 3 319.497 2.788 20 0 DFADHO C[C@@H](N[C@@H]1CC[N@H+](C2CCCCCC2)C1)C(C)(C)n1cncn1 ZINC000377740058 278373005 /nfs/dbraw/zinc/37/30/05/278373005.db2.gz BSRGTLIAPISRDO-HZPDHXFCSA-N 1 3 319.497 2.788 20 0 DFADHO CC(C)(C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H](N)c1ccccc1 ZINC000648187451 430703054 /nfs/dbraw/zinc/70/30/54/430703054.db2.gz QJDVIOGTIUFJDZ-HZPDHXFCSA-N 1 3 315.461 2.504 20 0 DFADHO CC[C@H]1C[C@H]([NH2+]Cc2cccc(OCCN(C)C)c2)CCO1 ZINC000648427721 430782195 /nfs/dbraw/zinc/78/21/95/430782195.db2.gz TUDYAEPSMOMTLW-SJORKVTESA-N 1 3 306.450 2.674 20 0 DFADHO CC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)COC1 ZINC000657772365 430733142 /nfs/dbraw/zinc/73/31/42/430733142.db2.gz MENNGRQDNCNEQY-SFHVURJKSA-N 1 3 314.473 2.915 20 0 DFADHO c1cc2c(c(CNCC3CC[NH+](CC4CC4)CC3)c1)OCO2 ZINC000657813114 430744987 /nfs/dbraw/zinc/74/49/87/430744987.db2.gz ZNGZUVCMIIOCOY-UHFFFAOYSA-N 1 3 302.418 2.627 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](C)C(C)(C)C(F)F)CC1 ZINC000657833694 430748573 /nfs/dbraw/zinc/74/85/73/430748573.db2.gz BRWOHAXWZFDIJD-AWEZNQCLSA-N 1 3 305.457 2.674 20 0 DFADHO C[C@H](NCCC(=O)Nc1ccccc1F)C(C)(C)C[NH+](C)C ZINC000644574179 430756567 /nfs/dbraw/zinc/75/65/67/430756567.db2.gz LLGPFZCNGVUNKP-ZDUSSCGKSA-N 1 3 309.429 2.720 20 0 DFADHO C[N@H+](C[C@@H](O)CNC1CC(c2cccc(Cl)c2)C1)C1CC1 ZINC000644576673 430758508 /nfs/dbraw/zinc/75/85/08/430758508.db2.gz VEXTVTXQTORRIU-PGEKIEPBSA-N 1 3 308.853 2.631 20 0 DFADHO C[N@@H+](C[C@@H](O)CNC1CC(c2cccc(Cl)c2)C1)C1CC1 ZINC000644576673 430758511 /nfs/dbraw/zinc/75/85/11/430758511.db2.gz VEXTVTXQTORRIU-PGEKIEPBSA-N 1 3 308.853 2.631 20 0 DFADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)C1(C(=O)OC)CCC1 ZINC000353542946 288048934 /nfs/dbraw/zinc/04/89/34/288048934.db2.gz NXLZRJDDIVEDEA-CVEARBPZSA-N 1 3 310.482 2.818 20 0 DFADHO CCOC1CCC([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000657918429 430767428 /nfs/dbraw/zinc/76/74/28/430767428.db2.gz CIELTDSVSYGMJP-MRLCAUJQSA-N 1 3 312.498 2.813 20 0 DFADHO CCc1cccnc1[C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106622 430812546 /nfs/dbraw/zinc/81/25/46/430812546.db2.gz JKNZIFQKJGIAIQ-JKSUJKDBSA-N 1 3 306.498 2.567 20 0 DFADHO COc1ccc(C)cc1[C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000658108333 430814739 /nfs/dbraw/zinc/81/47/39/430814739.db2.gz NCGNNFVQCGJYNE-DLBZAZTESA-N 1 3 321.509 2.926 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C1CCCC1 ZINC000658139888 430823376 /nfs/dbraw/zinc/82/33/76/430823376.db2.gz NOCGHPKSMMSGQE-DNVCBOLYSA-N 1 3 302.462 2.922 20 0 DFADHO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000658165018 430829763 /nfs/dbraw/zinc/82/97/63/430829763.db2.gz ZCMNXHXZULOESQ-QGPMSJSTSA-N 1 3 306.450 2.845 20 0 DFADHO COC[C@H](N[C@H](C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000658162546 430829943 /nfs/dbraw/zinc/82/99/43/430829943.db2.gz FIZBRWPZYBMHPX-KDOFPFPSSA-N 1 3 306.450 2.703 20 0 DFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2cnccc2o1 ZINC000658003577 430784211 /nfs/dbraw/zinc/78/42/11/430784211.db2.gz SPZQXYRYATUARB-CQSZACIVSA-N 1 3 316.449 2.504 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661665241 430798443 /nfs/dbraw/zinc/79/84/43/430798443.db2.gz RCXQZJYRMFVOMJ-SLFFLAALSA-N 1 3 316.489 2.959 20 0 DFADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661665241 430798446 /nfs/dbraw/zinc/79/84/46/430798446.db2.gz RCXQZJYRMFVOMJ-SLFFLAALSA-N 1 3 316.489 2.959 20 0 DFADHO CCC1(CC)CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000661674860 430799999 /nfs/dbraw/zinc/79/99/99/430799999.db2.gz OMNUYXPPHIFDNY-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO COC[C@H](CC[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)OC ZINC000658085430 430806360 /nfs/dbraw/zinc/80/63/60/430806360.db2.gz XFBPAFRTGVWVJE-NXHRZFHOSA-N 1 3 312.498 2.671 20 0 DFADHO COC[C@H](CCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)OC ZINC000658085430 430806363 /nfs/dbraw/zinc/80/63/63/430806363.db2.gz XFBPAFRTGVWVJE-NXHRZFHOSA-N 1 3 312.498 2.671 20 0 DFADHO Cc1cccc(C)c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665181789 430847951 /nfs/dbraw/zinc/84/79/51/430847951.db2.gz YZPNFOZFPCOMQK-INIZCTEOSA-N 1 3 320.481 2.697 20 0 DFADHO Cc1cccc(C)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665181789 430847957 /nfs/dbraw/zinc/84/79/57/430847957.db2.gz YZPNFOZFPCOMQK-INIZCTEOSA-N 1 3 320.481 2.697 20 0 DFADHO CN1C[C@H](CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000658242772 430851226 /nfs/dbraw/zinc/85/12/26/430851226.db2.gz VNCHLLFQIVYABT-HNNXBMFYSA-N 1 3 323.525 2.734 20 0 DFADHO CN1C[C@H](C[NH2+]C2CCN(C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000658242772 430851229 /nfs/dbraw/zinc/85/12/29/430851229.db2.gz VNCHLLFQIVYABT-HNNXBMFYSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H]1c2ccccc2C[C@H]1NCc1cc(C2CC[NH2+]CC2)no1 ZINC000665244719 430866579 /nfs/dbraw/zinc/86/65/79/430866579.db2.gz UQRQUNWKDFPFHY-SCLBCKFNSA-N 1 3 311.429 2.960 20 0 DFADHO C[C@@H]1CCC[C@H](CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)O1 ZINC000665264849 430875745 /nfs/dbraw/zinc/87/57/45/430875745.db2.gz JLEWLQKAIMSIJD-FXRXJOCMSA-N 1 3 316.445 2.790 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294425 430889681 /nfs/dbraw/zinc/88/96/81/430889681.db2.gz OQEIVUMCMKHTIG-FHWLQOOXSA-N 1 3 318.461 2.599 20 0 DFADHO CC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000658189895 430838203 /nfs/dbraw/zinc/83/82/03/430838203.db2.gz ZPUCCHXTVMXAMY-ZSYWTGECSA-N 1 3 302.462 2.648 20 0 DFADHO CC(C)OC1CCC(NCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000645076637 430896844 /nfs/dbraw/zinc/89/68/44/430896844.db2.gz AXGINVKTNGFDGU-UHFFFAOYSA-N 1 3 321.465 2.967 20 0 DFADHO Cc1ccc(CNCCC[N@H+]2CCCN(C)CC2)c(Cl)c1 ZINC000651953113 430924014 /nfs/dbraw/zinc/92/40/14/430924014.db2.gz RNNSRFWMQZSPJY-UHFFFAOYSA-N 1 3 309.885 2.766 20 0 DFADHO Cc1ccc(CNCCC[N@@H+]2CCCN(C)CC2)c(Cl)c1 ZINC000651953113 430924019 /nfs/dbraw/zinc/92/40/19/430924019.db2.gz RNNSRFWMQZSPJY-UHFFFAOYSA-N 1 3 309.885 2.766 20 0 DFADHO CNCc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659019814 430941692 /nfs/dbraw/zinc/94/16/92/430941692.db2.gz RIUGMVCQPXNRIV-AWEZNQCLSA-N 1 3 318.465 2.648 20 0 DFADHO CNCc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659019814 430941697 /nfs/dbraw/zinc/94/16/97/430941697.db2.gz RIUGMVCQPXNRIV-AWEZNQCLSA-N 1 3 318.465 2.648 20 0 DFADHO C[NH+](C)CC1(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCCC1 ZINC000655351180 430973499 /nfs/dbraw/zinc/97/34/99/430973499.db2.gz PGRHTBQBMJBMQJ-DLBZAZTESA-N 1 3 321.509 2.632 20 0 DFADHO Cc1ccc2nccc(N3CCOC4(CC[NH+](C)CC4)C3)c2c1 ZINC000645385613 430988120 /nfs/dbraw/zinc/98/81/20/430988120.db2.gz LVOYOYAZHCMJNS-UHFFFAOYSA-N 1 3 311.429 2.844 20 0 DFADHO c1ccc(C[C@@H]2CCCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662256158 431019485 /nfs/dbraw/zinc/01/94/85/431019485.db2.gz HJUHFLUKPSLOMF-ZWKOTPCHSA-N 1 3 300.446 2.605 20 0 DFADHO c1ccc(C[C@@H]2CCCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662256158 431019487 /nfs/dbraw/zinc/01/94/87/431019487.db2.gz HJUHFLUKPSLOMF-ZWKOTPCHSA-N 1 3 300.446 2.605 20 0 DFADHO Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662258115 431019512 /nfs/dbraw/zinc/01/95/12/431019512.db2.gz SCGYBKRWJNMUNQ-ROUUACIJSA-N 1 3 300.446 2.523 20 0 DFADHO Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662258115 431019517 /nfs/dbraw/zinc/01/95/17/431019517.db2.gz SCGYBKRWJNMUNQ-ROUUACIJSA-N 1 3 300.446 2.523 20 0 DFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)Nc3ccc4c(c3)CNC4)cc21 ZINC000659313068 431021364 /nfs/dbraw/zinc/02/13/64/431021364.db2.gz LUWGLWYBTCBMRA-OAHLLOKOSA-N 1 3 321.424 2.921 20 0 DFADHO CCc1nc(C)c([C@@H](C)N(C)C[C@@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662262043 431022533 /nfs/dbraw/zinc/02/25/33/431022533.db2.gz DATFCFLYKRJOHE-OLZOCXBDSA-N 1 3 309.479 2.528 20 0 DFADHO Cc1nn(C)cc1[C@H]1CCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000662261908 431022946 /nfs/dbraw/zinc/02/29/46/431022946.db2.gz CGDTUXGMRXMXIX-LJQANCHMSA-N 1 3 310.445 2.711 20 0 DFADHO [NH3+]CCC[C@@H](NC(=O)C[C@@H]1NCc2ccccc21)c1ccccc1 ZINC000659322994 431026414 /nfs/dbraw/zinc/02/64/14/431026414.db2.gz UKEYYVXEHWVEPD-MOPGFXCFSA-N 1 3 323.440 2.817 20 0 DFADHO Fc1ccc(C2(NC[C@H]3CCC4(C[NH2+]C4)O3)CCCC2)c(F)c1 ZINC000662281745 431032948 /nfs/dbraw/zinc/03/29/48/431032948.db2.gz LPCOCMIPEORTCI-CQSZACIVSA-N 1 3 322.399 2.845 20 0 DFADHO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662294887 431034887 /nfs/dbraw/zinc/03/48/87/431034887.db2.gz GJZVCWAKAODJHR-IAGOWNOFSA-N 1 3 300.446 2.961 20 0 DFADHO Cc1cccc(C)c1[C@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662294887 431034894 /nfs/dbraw/zinc/03/48/94/431034894.db2.gz GJZVCWAKAODJHR-IAGOWNOFSA-N 1 3 300.446 2.961 20 0 DFADHO COc1c(C)cnc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1C ZINC000662293789 431036013 /nfs/dbraw/zinc/03/60/13/431036013.db2.gz NVCUPOYPMNIZHD-KRWDZBQOSA-N 1 3 317.477 2.919 20 0 DFADHO Fc1ccccc1C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662286959 431036085 /nfs/dbraw/zinc/03/60/85/431036085.db2.gz VFQGQVMPMJZWAH-DLBZAZTESA-N 1 3 318.436 2.744 20 0 DFADHO Fc1ccccc1C[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662286959 431036087 /nfs/dbraw/zinc/03/60/87/431036087.db2.gz VFQGQVMPMJZWAH-DLBZAZTESA-N 1 3 318.436 2.744 20 0 DFADHO CC(C)C[C@@H](C)N(C)C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297797 431039151 /nfs/dbraw/zinc/03/91/51/431039151.db2.gz RYJBCORMPWHXJW-AEFFLSMTSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H]1CCCN(CC(=O)N(C)[C@@H]2CCCC[C@H]2C)[C@@H]1CCC[NH3+] ZINC000662313584 431043136 /nfs/dbraw/zinc/04/31/36/431043136.db2.gz IZZSBBIRSBHGKF-BRSBDYLESA-N 1 3 323.525 2.863 20 0 DFADHO C[C@@H]1CCCN(CC(=O)N(C)Cc2cccs2)[C@@H]1CCC[NH3+] ZINC000662316265 431044224 /nfs/dbraw/zinc/04/42/24/431044224.db2.gz VKHWCEYLVSIMOL-GDBMZVCRSA-N 1 3 323.506 2.546 20 0 DFADHO C[C@@H]1CCCN(CC(=O)NCCC2CCCCC2)[C@@H]1CCC[NH3+] ZINC000662316590 431044832 /nfs/dbraw/zinc/04/48/32/431044832.db2.gz XENPQAYVXNUGDA-SJLPKXTDSA-N 1 3 323.525 2.912 20 0 DFADHO C[NH+](C)CCC[C@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)CCO1 ZINC000662324856 431047992 /nfs/dbraw/zinc/04/79/92/431047992.db2.gz ZIGLXGSDYJAWQA-FHWLQOOXSA-N 1 3 302.462 2.833 20 0 DFADHO C[NH+](C)CCC[C@@H]1CN(C[C@H]2CCc3ccccc3C2)CCO1 ZINC000662325875 431048022 /nfs/dbraw/zinc/04/80/22/431048022.db2.gz RWYBDMRUTFLBCU-FXAWDEMLSA-N 1 3 316.489 2.834 20 0 DFADHO CCN(CC)[C@H](CNC(=O)CCC(C)(C)[NH3+])c1ccsc1 ZINC000649292478 431057548 /nfs/dbraw/zinc/05/75/48/431057548.db2.gz JGIHPMMSLCSXAE-CQSZACIVSA-N 1 3 311.495 2.765 20 0 DFADHO C[NH2+]CC1CCN(Cc2cc(-c3ccc(OC)cc3)no2)CC1 ZINC000662244684 431013104 /nfs/dbraw/zinc/01/31/04/431013104.db2.gz FKPJXHYMZLOIGP-UHFFFAOYSA-N 1 3 315.417 2.782 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000655444646 431013180 /nfs/dbraw/zinc/01/31/80/431013180.db2.gz LTSVFRKICXAZMC-MJGOQNOKSA-N 1 3 315.461 2.857 20 0 DFADHO c1ccc(C[N@H+](CC2CCC2)C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662254914 431015120 /nfs/dbraw/zinc/01/51/20/431015120.db2.gz UXKWJMBMEBJWQQ-SFHVURJKSA-N 1 3 300.446 2.810 20 0 DFADHO c1ccc(C[N@@H+](CC2CCC2)C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662254914 431015124 /nfs/dbraw/zinc/01/51/24/431015124.db2.gz UXKWJMBMEBJWQQ-SFHVURJKSA-N 1 3 300.446 2.810 20 0 DFADHO CCC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1CCc2ccccc2C1 ZINC000662255107 431015848 /nfs/dbraw/zinc/01/58/48/431015848.db2.gz WPIHGTXSUADCFR-MOPGFXCFSA-N 1 3 314.473 2.777 20 0 DFADHO CCC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1CCc2ccccc2C1 ZINC000662255107 431015850 /nfs/dbraw/zinc/01/58/50/431015850.db2.gz WPIHGTXSUADCFR-MOPGFXCFSA-N 1 3 314.473 2.777 20 0 DFADHO C[C@]1(c2ccccc2)CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662254791 431016201 /nfs/dbraw/zinc/01/62/01/431016201.db2.gz MBKOSIXPNLELHV-ROUUACIJSA-N 1 3 300.446 2.561 20 0 DFADHO C[C@]1(c2ccccc2)CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662254791 431016207 /nfs/dbraw/zinc/01/62/07/431016207.db2.gz MBKOSIXPNLELHV-ROUUACIJSA-N 1 3 300.446 2.561 20 0 DFADHO O=C(C[C@H]1NCc2ccccc21)Nc1cccc2c1CC[NH2+]C2 ZINC000659297026 431016400 /nfs/dbraw/zinc/01/64/00/431016400.db2.gz RKCQRSUXXODNRK-GOSISDBHSA-N 1 3 307.397 2.505 20 0 DFADHO CC(C)C[N@H+](CCc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000662251492 431016979 /nfs/dbraw/zinc/01/69/79/431016979.db2.gz FRAXMPMMXZUYTK-GOSISDBHSA-N 1 3 302.462 2.708 20 0 DFADHO CC(C)C[N@@H+](CCc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000662251492 431016984 /nfs/dbraw/zinc/01/69/84/431016984.db2.gz FRAXMPMMXZUYTK-GOSISDBHSA-N 1 3 302.462 2.708 20 0 DFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3NCC3(C)C)cc2)C1 ZINC000645502744 431018192 /nfs/dbraw/zinc/01/81/92/431018192.db2.gz MJOJCHHPMYZOOJ-PBHICJAKSA-N 1 3 315.461 2.855 20 0 DFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3NCC3(C)C)cc2)C1 ZINC000645502744 431018196 /nfs/dbraw/zinc/01/81/96/431018196.db2.gz MJOJCHHPMYZOOJ-PBHICJAKSA-N 1 3 315.461 2.855 20 0 DFADHO c1cncc([C@@H](NC2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)c1 ZINC000655737979 431108936 /nfs/dbraw/zinc/10/89/36/431108936.db2.gz SNVVRHQPYRUCEA-OALUTQOASA-N 1 3 315.461 2.766 20 0 DFADHO [NH3+]CCCN(CC1CCCC1)C(=O)C[C@H]1NCc2ccccc21 ZINC000662562187 431114901 /nfs/dbraw/zinc/11/49/01/431114901.db2.gz HCGFRUTWUKWESH-GOSISDBHSA-N 1 3 315.461 2.589 20 0 DFADHO NCc1cccc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)c1 ZINC000662393896 431071270 /nfs/dbraw/zinc/07/12/70/431071270.db2.gz YZXWGYUYEBDVTH-INIZCTEOSA-N 1 3 309.413 2.776 20 0 DFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662458462 431086595 /nfs/dbraw/zinc/08/65/95/431086595.db2.gz MKWZTHVWMWORHJ-WMZOPIPTSA-N 1 3 315.461 2.602 20 0 DFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662458462 431086597 /nfs/dbraw/zinc/08/65/97/431086597.db2.gz MKWZTHVWMWORHJ-WMZOPIPTSA-N 1 3 315.461 2.602 20 0 DFADHO c1ccc2c(c1)cccc2CN1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649411021 431094348 /nfs/dbraw/zinc/09/43/48/431094348.db2.gz DDXGTJKYKRAQDE-KRWDZBQOSA-N 1 3 309.457 2.567 20 0 DFADHO Cc1csc(N2CCN(CCCC3CC[NH2+]CC3)C[C@@H]2C)n1 ZINC000649412590 431094468 /nfs/dbraw/zinc/09/44/68/431094468.db2.gz VAIPGFVXPJDJRP-HNNXBMFYSA-N 1 3 322.522 2.742 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2c(s1)CCNC2 ZINC000662524715 431105511 /nfs/dbraw/zinc/10/55/11/431105511.db2.gz ZDNZBXAVGNEHJK-CYBMUJFWSA-N 1 3 323.506 2.634 20 0 DFADHO CC(C)[N@@H+]1CCCC[C@@H]1CN(C)C[C@H]1CCc2nccn2C1 ZINC000649460669 431108409 /nfs/dbraw/zinc/10/84/09/431108409.db2.gz KBLODHVTGIUNID-IAGOWNOFSA-N 1 3 304.482 2.640 20 0 DFADHO CC(C)[N@H+]1CCCC[C@@H]1CN(C)C[C@H]1CCc2nccn2C1 ZINC000649460669 431108414 /nfs/dbraw/zinc/10/84/14/431108414.db2.gz KBLODHVTGIUNID-IAGOWNOFSA-N 1 3 304.482 2.640 20 0 DFADHO c1cncc([C@@H](NC2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)c1 ZINC000655737978 431108455 /nfs/dbraw/zinc/10/84/55/431108455.db2.gz SNVVRHQPYRUCEA-MOPGFXCFSA-N 1 3 315.461 2.766 20 0 DFADHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C1CC1)C1CCCCC1 ZINC000652756867 431127359 /nfs/dbraw/zinc/12/73/59/431127359.db2.gz WXNWFQPMIOQXHQ-SFHVURJKSA-N 1 3 321.509 2.774 20 0 DFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000373013127 279039478 /nfs/dbraw/zinc/03/94/78/279039478.db2.gz HQSVBMCDQKYUMT-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000373013127 279039481 /nfs/dbraw/zinc/03/94/81/279039481.db2.gz HQSVBMCDQKYUMT-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C1CC1)C1CCCCC1 ZINC000652756867 431127366 /nfs/dbraw/zinc/12/73/66/431127366.db2.gz WXNWFQPMIOQXHQ-SFHVURJKSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000124807651 288103100 /nfs/dbraw/zinc/10/31/00/288103100.db2.gz VAOZAMPYGWQFCR-NONVJHHQSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000124807651 288103102 /nfs/dbraw/zinc/10/31/02/288103102.db2.gz VAOZAMPYGWQFCR-NONVJHHQSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000124807651 288103106 /nfs/dbraw/zinc/10/31/06/288103106.db2.gz VAOZAMPYGWQFCR-NONVJHHQSA-N 1 3 307.457 2.747 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C1([NH3+])CCCCC1)c1ccsc1 ZINC000236874007 279161807 /nfs/dbraw/zinc/16/18/07/279161807.db2.gz NMBMUFLIAPSXEW-OAHLLOKOSA-N 1 3 323.506 2.909 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000662622165 431137531 /nfs/dbraw/zinc/13/75/31/431137531.db2.gz PULMNXGDRJAWLY-CVEARBPZSA-N 1 3 317.477 2.702 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000662622165 431137536 /nfs/dbraw/zinc/13/75/36/431137536.db2.gz PULMNXGDRJAWLY-CVEARBPZSA-N 1 3 317.477 2.702 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000354266420 279266906 /nfs/dbraw/zinc/26/69/06/279266906.db2.gz NMDURNVAMONPIO-MSOLQXFVSA-N 1 3 317.477 2.588 20 0 DFADHO CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361527787 279274246 /nfs/dbraw/zinc/27/42/46/279274246.db2.gz SXNDEHUGSYKCEX-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361527787 279274247 /nfs/dbraw/zinc/27/42/47/279274247.db2.gz SXNDEHUGSYKCEX-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000359332253 279305266 /nfs/dbraw/zinc/30/52/66/279305266.db2.gz REDHRYVQIQTCDT-AEFFLSMTSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000659867216 431162507 /nfs/dbraw/zinc/16/25/07/431162507.db2.gz VJZMUILVMRFFNR-UJMXGEILSA-N 1 3 319.537 2.913 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000659867216 431162513 /nfs/dbraw/zinc/16/25/13/431162513.db2.gz VJZMUILVMRFFNR-UJMXGEILSA-N 1 3 319.537 2.913 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662695969 431163890 /nfs/dbraw/zinc/16/38/90/431163890.db2.gz RNXCZRBZORDBMX-GASCZTMLSA-N 1 3 321.509 2.521 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662695969 431163896 /nfs/dbraw/zinc/16/38/96/431163896.db2.gz RNXCZRBZORDBMX-GASCZTMLSA-N 1 3 321.509 2.521 20 0 DFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000662691810 431164557 /nfs/dbraw/zinc/16/45/57/431164557.db2.gz AUUYOFHUHWOXHI-WMZOPIPTSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@H](CN1CCC(C)CC1)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000662691807 431165156 /nfs/dbraw/zinc/16/51/56/431165156.db2.gz AUUYOFHUHWOXHI-SJLPKXTDSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662695307 431166157 /nfs/dbraw/zinc/16/61/57/431166157.db2.gz JMQWDJOTMJHOBS-GASCZTMLSA-N 1 3 321.509 2.534 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662695307 431166163 /nfs/dbraw/zinc/16/61/63/431166163.db2.gz JMQWDJOTMJHOBS-GASCZTMLSA-N 1 3 321.509 2.534 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000646071433 431170637 /nfs/dbraw/zinc/17/06/37/431170637.db2.gz HQBHNMSNWYXUNT-JJRVBVJISA-N 1 3 323.506 2.621 20 0 DFADHO C[NH+]1CCC2(CC1)CN([C@H]1CCCc3ccccc31)CCO2 ZINC000646104383 431188014 /nfs/dbraw/zinc/18/80/14/431188014.db2.gz LPQMDOBDNCBNBN-SFHVURJKSA-N 1 3 300.446 2.861 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662788616 431195348 /nfs/dbraw/zinc/19/53/48/431195348.db2.gz PDBBXZINXNPYAW-XHSDSOJGSA-N 1 3 319.493 2.512 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662788616 431195355 /nfs/dbraw/zinc/19/53/55/431195355.db2.gz PDBBXZINXNPYAW-XHSDSOJGSA-N 1 3 319.493 2.512 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000659937310 431200592 /nfs/dbraw/zinc/20/05/92/431200592.db2.gz YQOFRPZILOBNJX-SFHVURJKSA-N 1 3 308.441 2.534 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000659937310 431200595 /nfs/dbraw/zinc/20/05/95/431200595.db2.gz YQOFRPZILOBNJX-SFHVURJKSA-N 1 3 308.441 2.534 20 0 DFADHO Cn1cc([C@@H](NC[C@H]2C[C@@H]([NH+](C)C)C2)c2cccc(F)c2)cn1 ZINC000655804788 431155580 /nfs/dbraw/zinc/15/55/80/431155580.db2.gz BMKBSHDCVZISPF-VHSSKADRSA-N 1 3 316.424 2.578 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)C1(NC2CC2)CCC1)CC(C)C ZINC000662674152 431159220 /nfs/dbraw/zinc/15/92/20/431159220.db2.gz WQFRPFJHQCTDMU-INIZCTEOSA-N 1 3 309.498 2.534 20 0 DFADHO Cc1cc(F)cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000666400653 431214980 /nfs/dbraw/zinc/21/49/80/431214980.db2.gz OERXMURUNLLJKF-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO Cc1cc(F)cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000666400653 431214984 /nfs/dbraw/zinc/21/49/84/431214984.db2.gz OERXMURUNLLJKF-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000659980829 431220914 /nfs/dbraw/zinc/22/09/14/431220914.db2.gz ZQYAZEDRTCLRCY-UHOSZYNNSA-N 1 3 304.478 2.641 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000659980829 431220918 /nfs/dbraw/zinc/22/09/18/431220918.db2.gz ZQYAZEDRTCLRCY-UHOSZYNNSA-N 1 3 304.478 2.641 20 0 DFADHO CCC(C)(C)N1CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000655945945 431225736 /nfs/dbraw/zinc/22/57/36/431225736.db2.gz IEUWMEYGCFEJLC-KRWDZBQOSA-N 1 3 319.493 2.544 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000646229206 431234067 /nfs/dbraw/zinc/23/40/67/431234067.db2.gz LOSHEYWJKFTHIP-SFHVURJKSA-N 1 3 318.461 2.506 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000646229206 431234071 /nfs/dbraw/zinc/23/40/71/431234071.db2.gz LOSHEYWJKFTHIP-SFHVURJKSA-N 1 3 318.461 2.506 20 0 DFADHO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646409857 431299984 /nfs/dbraw/zinc/29/99/84/431299984.db2.gz BIYDOPULDBPAQA-ROUUACIJSA-N 1 3 317.477 2.703 20 0 DFADHO Cc1cc(C[C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)n(-c2ccccc2)n1 ZINC000656198192 431306219 /nfs/dbraw/zinc/30/62/19/431306219.db2.gz MIBFUZXVPSNGKW-XIRDDKMYSA-N 1 3 312.461 2.971 20 0 DFADHO Cc1cc(C[C@H](C)[NH2+][C@H]2CCC[C@H](N)C2)n(-c2ccccc2)n1 ZINC000656198192 431306226 /nfs/dbraw/zinc/30/62/26/431306226.db2.gz MIBFUZXVPSNGKW-XIRDDKMYSA-N 1 3 312.461 2.971 20 0 DFADHO Cc1cc(NC2CCN([C@@H]3CCOC3)CC2)ccc1C[NH+](C)C ZINC000656263680 431341663 /nfs/dbraw/zinc/34/16/63/431341663.db2.gz MEGRFNPFTWYZIO-LJQANCHMSA-N 1 3 317.477 2.722 20 0 DFADHO Fc1ccc(Br)cc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666950892 431418780 /nfs/dbraw/zinc/41/87/80/431418780.db2.gz PDHQFPICGOCUPW-CYBMUJFWSA-N 1 3 313.214 2.820 20 0 DFADHO CCOc1cc(CN[C@@H]2CC23CC[NH2+]CC3)cc(Cl)c1OC ZINC000666950899 431419492 /nfs/dbraw/zinc/41/94/92/431419492.db2.gz PRWOVYBVKJOIJL-OAHLLOKOSA-N 1 3 324.852 2.979 20 0 DFADHO COc1cc(CN[C@H]2CC23CC[NH2+]CC3)ccc1OC(F)F ZINC000666950707 431419718 /nfs/dbraw/zinc/41/97/18/431419718.db2.gz BSKZNRSYHFSLRT-AWEZNQCLSA-N 1 3 312.360 2.528 20 0 DFADHO FC(F)(F)COc1ccccc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666951962 431420233 /nfs/dbraw/zinc/42/02/33/431420233.db2.gz ADIAPXROZUTXJQ-AWEZNQCLSA-N 1 3 314.351 2.859 20 0 DFADHO COc1ccc(CN[C@H]2CC23CC[NH2+]CC3)c(OC(F)F)c1 ZINC000666952480 431422728 /nfs/dbraw/zinc/42/27/28/431422728.db2.gz YIPYWPAUBZNSPY-AWEZNQCLSA-N 1 3 312.360 2.528 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[C@@H](C)O1 ZINC000245902529 288161133 /nfs/dbraw/zinc/16/11/33/288161133.db2.gz OBAZCYPDKLYCOL-UYTYNIKBSA-N 1 3 324.509 2.669 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000656499147 431411421 /nfs/dbraw/zinc/41/14/21/431411421.db2.gz UAJVCSAMOWHPOQ-NSHGMRRFSA-N 1 3 313.489 2.548 20 0 DFADHO C[C@@H]1C[NH2+]CC[C@H]1CN1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000663493819 431442981 /nfs/dbraw/zinc/44/29/81/431442981.db2.gz KKPXUWQKYQVNFI-UKPHBRMFSA-N 1 3 307.869 2.532 20 0 DFADHO C[C@H]([NH2+]CCCc1cncn1C)[C@H]1CCCN(C2CCC2)C1 ZINC000653614041 431458895 /nfs/dbraw/zinc/45/88/95/431458895.db2.gz LKKGGVJGPKWZSL-HOTGVXAUSA-N 1 3 304.482 2.595 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCOCCF)CC1 ZINC000663462000 431427826 /nfs/dbraw/zinc/42/78/26/431427826.db2.gz SCMDQPUZJWPTIE-INIZCTEOSA-N 1 3 308.441 2.658 20 0 DFADHO CC(=O)Nc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656783809 431519799 /nfs/dbraw/zinc/51/97/99/431519799.db2.gz ACNQNPLDCVRQLR-GOSISDBHSA-N 1 3 315.461 2.857 20 0 DFADHO C[C@@]1(CNC[C@@H]2CCN(c3ccccc3Cl)C2)CC[NH2+]C1 ZINC000656787344 431522401 /nfs/dbraw/zinc/52/24/01/431522401.db2.gz HURXSIZGRJVBAF-WMLDXEAASA-N 1 3 307.869 2.756 20 0 DFADHO C[C@]1(CNC[C@H]2CCN(c3ccccc3Cl)C2)CC[NH2+]C1 ZINC000656787342 431522649 /nfs/dbraw/zinc/52/26/49/431522649.db2.gz HURXSIZGRJVBAF-PBHICJAKSA-N 1 3 307.869 2.756 20 0 DFADHO C[C@H](NC[C@@H]1CCN(c2ccccc2Cl)C1)[C@@H]1CC[NH2+]C1 ZINC000656787595 431523208 /nfs/dbraw/zinc/52/32/08/431523208.db2.gz OJZZRGBSALXRME-SOUVJXGZSA-N 1 3 307.869 2.754 20 0 DFADHO c1cc([C@@H]2CNCCO2)ccc1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000656793233 431524697 /nfs/dbraw/zinc/52/46/97/431524697.db2.gz RKPLZODTQYPELF-HCXYKTFWSA-N 1 3 315.461 2.680 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCC2)c1C ZINC000656789792 431525016 /nfs/dbraw/zinc/52/50/16/431525016.db2.gz YSIXMLCHFZQYJW-AWEZNQCLSA-N 1 3 303.450 2.882 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCC2)c(C)c1 ZINC000656789678 431526281 /nfs/dbraw/zinc/52/62/81/431526281.db2.gz VEWTYNCHVLTIHU-HNNXBMFYSA-N 1 3 303.450 2.882 20 0 DFADHO CN1C[C@@H](C[NH2+]Cc2ccc3[nH]cnc3c2)[C@H](c2ccccc2)C1 ZINC000647248917 431529621 /nfs/dbraw/zinc/52/96/21/431529621.db2.gz OXMXJGJJLYEADV-MSOLQXFVSA-N 1 3 320.440 2.998 20 0 DFADHO CN1C[C@@H](C[NH2+]Cc2ccc3nc[nH]c3c2)[C@H](c2ccccc2)C1 ZINC000647248917 431529630 /nfs/dbraw/zinc/52/96/30/431529630.db2.gz OXMXJGJJLYEADV-MSOLQXFVSA-N 1 3 320.440 2.998 20 0 DFADHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CO[C@@H](C)C1 ZINC000647171913 431491964 /nfs/dbraw/zinc/49/19/64/431491964.db2.gz AEFXEXMWNSBCTM-RDJZCZTQSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661311 431535827 /nfs/dbraw/zinc/53/58/27/431535827.db2.gz CFKZDEFYOGGNJG-NZSAHSFTSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661311 431535835 /nfs/dbraw/zinc/53/58/35/431535835.db2.gz CFKZDEFYOGGNJG-NZSAHSFTSA-N 1 3 302.462 2.569 20 0 DFADHO CN(CCN1CCC[C@]2(CC[N@H+](C)C2)C1)Cc1ccccc1 ZINC000660664180 431538651 /nfs/dbraw/zinc/53/86/51/431538651.db2.gz QLPYQPXIDKHIHI-LJQANCHMSA-N 1 3 301.478 2.536 20 0 DFADHO CN(CCN1CCC[C@]2(CC[N@@H+](C)C2)C1)Cc1ccccc1 ZINC000660664180 431538655 /nfs/dbraw/zinc/53/86/55/431538655.db2.gz QLPYQPXIDKHIHI-LJQANCHMSA-N 1 3 301.478 2.536 20 0 DFADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1cc2n(n1)CCCC2 ZINC000647301735 431544847 /nfs/dbraw/zinc/54/48/47/431544847.db2.gz ZBGRPEKNTKVVLT-CQSZACIVSA-N 1 3 302.466 2.744 20 0 DFADHO CC(C)[C@H](CNC(=O)C1(N)CCCCC1)[NH+]1CCC(C)CC1 ZINC000236654876 280240605 /nfs/dbraw/zinc/24/06/05/280240605.db2.gz VUJDSGMKVMYDMU-INIZCTEOSA-N 1 3 309.498 2.521 20 0 DFADHO COc1cccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1F ZINC000650707846 431652574 /nfs/dbraw/zinc/65/25/74/431652574.db2.gz ODOJOJIOAXBQSN-JLJPHGGASA-N 1 3 322.424 2.553 20 0 DFADHO COc1ccc(C)cc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650706473 431654116 /nfs/dbraw/zinc/65/41/16/431654116.db2.gz LQHKEOLCBNBRAF-KVSKMBFKSA-N 1 3 318.461 2.722 20 0 DFADHO Cc1cccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000650709338 431656982 /nfs/dbraw/zinc/65/69/82/431656982.db2.gz SOLCUSWMMQVLRE-HKUYNNGSSA-N 1 3 310.445 2.946 20 0 DFADHO Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000650709338 431656986 /nfs/dbraw/zinc/65/69/86/431656986.db2.gz SOLCUSWMMQVLRE-HKUYNNGSSA-N 1 3 310.445 2.946 20 0 DFADHO Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000650709338 431656989 /nfs/dbraw/zinc/65/69/89/431656989.db2.gz SOLCUSWMMQVLRE-HKUYNNGSSA-N 1 3 310.445 2.946 20 0 DFADHO COCCOc1ccc(CN2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000650711239 431657216 /nfs/dbraw/zinc/65/72/16/431657216.db2.gz MRVXWKVRPFPEKF-MAUKXSAKSA-N 1 3 306.450 2.661 20 0 DFADHO COc1cccc(CNCCC2(C[NH3+])CC2)c1OC(F)F ZINC000650711830 431659305 /nfs/dbraw/zinc/65/93/05/431659305.db2.gz FWAIXXCWGZXXGX-UHFFFAOYSA-N 1 3 300.349 2.515 20 0 DFADHO C[C@@H]1[C@H](c2nc(-c3ccc(CN(C)C)cc3)no2)CC[N@@H+]1C ZINC000647688949 431659602 /nfs/dbraw/zinc/65/96/02/431659602.db2.gz DYUPEJNDHPYJOZ-IUODEOHRSA-N 1 3 300.406 2.606 20 0 DFADHO C[C@@H]1[C@H](c2nc(-c3ccc(CN(C)C)cc3)no2)CC[N@H+]1C ZINC000647688949 431659604 /nfs/dbraw/zinc/65/96/04/431659604.db2.gz DYUPEJNDHPYJOZ-IUODEOHRSA-N 1 3 300.406 2.606 20 0 DFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000647515487 431612247 /nfs/dbraw/zinc/61/22/47/431612247.db2.gz HRPOLKDJJOLTGM-IEBWSBKVSA-N 1 3 301.478 2.582 20 0 DFADHO Cc1ccc(-c2nn(C)cc2CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000647511820 431612938 /nfs/dbraw/zinc/61/29/38/431612938.db2.gz ILBQRVANDJHMKZ-CWRNSKLLSA-N 1 3 314.433 2.548 20 0 DFADHO Nc1ccc(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000647532610 431616437 /nfs/dbraw/zinc/61/64/37/431616437.db2.gz UCZVXDHKRMUURE-OALUTQOASA-N 1 3 324.472 2.666 20 0 DFADHO COc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543909 431624041 /nfs/dbraw/zinc/62/40/41/431624041.db2.gz UJGUOSIYLMFBOP-DLBZAZTESA-N 1 3 318.461 2.915 20 0 DFADHO Cc1ccc2ncc(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543328 431625736 /nfs/dbraw/zinc/62/57/36/431625736.db2.gz LALCVKDDOLLADN-SJORKVTESA-N 1 3 312.461 2.854 20 0 DFADHO COc1ccc(OC)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543305 431626313 /nfs/dbraw/zinc/62/63/13/431626313.db2.gz KXFWDWZRHBMNQK-CVEARBPZSA-N 1 3 318.461 2.915 20 0 DFADHO COc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1C ZINC000650721855 431665264 /nfs/dbraw/zinc/66/52/64/431665264.db2.gz DGYDTMVZIXGVIE-LMMKCTJWSA-N 1 3 318.461 2.864 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNCc2c(C3CC3)cnn2C)C1 ZINC000657311433 431666411 /nfs/dbraw/zinc/66/64/11/431666411.db2.gz KHPWYYKBZQEQSG-HNNXBMFYSA-N 1 3 304.482 2.899 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNCc2c(C3CC3)cnn2C)C1 ZINC000657311433 431666416 /nfs/dbraw/zinc/66/64/16/431666416.db2.gz KHPWYYKBZQEQSG-HNNXBMFYSA-N 1 3 304.482 2.899 20 0 DFADHO [NH3+]Cc1ccc(CNC2CCC(O)(C(F)(F)F)CC2)c(F)c1 ZINC000650753501 431680910 /nfs/dbraw/zinc/68/09/10/431680910.db2.gz OSXAKSMDINCNFJ-UHFFFAOYSA-N 1 3 320.330 2.610 20 0 DFADHO c1cn(CCc2ccccc2)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647788712 431688010 /nfs/dbraw/zinc/68/80/10/431688010.db2.gz PDHARZNCYMYXAT-GUDVDZBRSA-N 1 3 324.472 2.604 20 0 DFADHO Cn1c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nc2cc(Cl)ccc21 ZINC000647795826 431689416 /nfs/dbraw/zinc/68/94/16/431689416.db2.gz XGGYIAWFWBNQEH-OUCADQQQSA-N 1 3 318.852 2.704 20 0 DFADHO c1cnc(OC2CCCC2)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647793322 431689680 /nfs/dbraw/zinc/68/96/80/431689680.db2.gz TXZDXZBDBJAVMP-USXIJHARSA-N 1 3 315.461 2.881 20 0 DFADHO CCCCOc1ncccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793164 431689878 /nfs/dbraw/zinc/68/98/78/431689878.db2.gz NEWIRZOAVAXQGW-BHYGNILZSA-N 1 3 303.450 2.738 20 0 DFADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nccn1-c1ccccc1 ZINC000647796784 431692199 /nfs/dbraw/zinc/69/21/99/431692199.db2.gz NSMIJWSJWGUZAX-YLFCFFPRSA-N 1 3 310.445 2.911 20 0 DFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNCc1ccnn1-c1ccncc1 ZINC000657352534 431695393 /nfs/dbraw/zinc/69/53/93/431695393.db2.gz AIFMIQUTNJTYBR-IYBDPMFKSA-N 1 3 313.449 2.620 20 0 DFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNCc1ccnn1-c1ccncc1 ZINC000657352534 431695398 /nfs/dbraw/zinc/69/53/98/431695398.db2.gz AIFMIQUTNJTYBR-IYBDPMFKSA-N 1 3 313.449 2.620 20 0 DFADHO C[C@@H]1CCC[C@H](C)N1CC[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657352534 431695404 /nfs/dbraw/zinc/69/54/04/431695404.db2.gz AIFMIQUTNJTYBR-IYBDPMFKSA-N 1 3 313.449 2.620 20 0 DFADHO COc1cccc2c1CC[C@H]2NC1CC[NH+](CC(C)(C)O)CC1 ZINC000647909367 431723795 /nfs/dbraw/zinc/72/37/95/431723795.db2.gz IDYVZTUEXMATCM-QGZVFWFLSA-N 1 3 318.461 2.507 20 0 DFADHO CCN(CCOCc1ccc(OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000647913344 431725154 /nfs/dbraw/zinc/72/51/54/431725154.db2.gz ZWZYLEKILNSBQV-KRWDZBQOSA-N 1 3 306.450 2.676 20 0 DFADHO CC[C@@H]1CN(CCC(=O)Nc2cccc(F)c2C)CC[C@@H]1[NH3+] ZINC000647936284 431735985 /nfs/dbraw/zinc/73/59/85/431735985.db2.gz AUWAIHCCACIWGY-HIFRSBDPSA-N 1 3 307.413 2.522 20 0 DFADHO CC[N@H+](C[C@H](O)CN(C)C(C)C)[C@H](C)c1cccc(OC)c1 ZINC000647960385 431750727 /nfs/dbraw/zinc/75/07/27/431750727.db2.gz WCQABINCEMSYII-NVXWUHKLSA-N 1 3 308.466 2.779 20 0 DFADHO CC[N@@H+](C[C@H](O)CN(C)C(C)C)[C@H](C)c1cccc(OC)c1 ZINC000647960385 431750731 /nfs/dbraw/zinc/75/07/31/431750731.db2.gz WCQABINCEMSYII-NVXWUHKLSA-N 1 3 308.466 2.779 20 0 DFADHO CCCN(C[C@H](O)C[N@H+](C)C(C)C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000647965030 431753972 /nfs/dbraw/zinc/75/39/72/431753972.db2.gz COTMOYJGBUNMNB-IXDOHACOSA-N 1 3 314.514 2.603 20 0 DFADHO CCCN(C[C@H](O)C[N@@H+](C)C(C)C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000647965030 431753977 /nfs/dbraw/zinc/75/39/77/431753977.db2.gz COTMOYJGBUNMNB-IXDOHACOSA-N 1 3 314.514 2.603 20 0 DFADHO CC[N@H+](C)C[C@H]1CCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966568 431754494 /nfs/dbraw/zinc/75/44/94/431754494.db2.gz ZJKBHSOPIRPCLN-IAGOWNOFSA-N 1 3 323.525 2.545 20 0 DFADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966568 431754499 /nfs/dbraw/zinc/75/44/99/431754499.db2.gz ZJKBHSOPIRPCLN-IAGOWNOFSA-N 1 3 323.525 2.545 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966568 431754504 /nfs/dbraw/zinc/75/45/04/431754504.db2.gz ZJKBHSOPIRPCLN-IAGOWNOFSA-N 1 3 323.525 2.545 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966568 431754511 /nfs/dbraw/zinc/75/45/11/431754511.db2.gz ZJKBHSOPIRPCLN-IAGOWNOFSA-N 1 3 323.525 2.545 20 0 DFADHO c1cc(CN(C[C@@H]2CC[NH2+]C2)C2CCCC2)cc2c1OCC2 ZINC000647884415 431718157 /nfs/dbraw/zinc/71/81/57/431718157.db2.gz MNSITIOCDKWRAK-MRXNPFEDSA-N 1 3 300.446 2.976 20 0 DFADHO CC(C)Cn1nccc1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000648035746 431792790 /nfs/dbraw/zinc/79/27/90/431792790.db2.gz OIPOVLFGNZZMHH-KRWDZBQOSA-N 1 3 304.482 2.703 20 0 DFADHO COC1CC(CC[NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000657526765 431797204 /nfs/dbraw/zinc/79/72/04/431797204.db2.gz KSZXNQJNYAJWPX-UHFFFAOYSA-N 1 3 306.450 2.532 20 0 DFADHO CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000648067955 431806554 /nfs/dbraw/zinc/80/65/54/431806554.db2.gz NPFUTYVOLXGMIY-WOVMCDHWSA-N 1 3 303.450 2.986 20 0 DFADHO CCc1nc2ccccc2n1C1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647989926 431766731 /nfs/dbraw/zinc/76/67/31/431766731.db2.gz FIQJXZBYEYVWMZ-HNNXBMFYSA-N 1 3 312.461 2.845 20 0 DFADHO Cn1ncc(C(F)(F)F)c1CNCCCCC[NH+]1CCCC1 ZINC000657475066 431774767 /nfs/dbraw/zinc/77/47/67/431774767.db2.gz ZEGVIDQCNAKBOB-UHFFFAOYSA-N 1 3 318.387 2.795 20 0 DFADHO Cc1ccsc1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657595293 431820249 /nfs/dbraw/zinc/82/02/49/431820249.db2.gz OJXSVEFQFREJNR-KRWDZBQOSA-N 1 3 316.470 2.913 20 0 DFADHO Cc1ccsc1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657595293 431820253 /nfs/dbraw/zinc/82/02/53/431820253.db2.gz OJXSVEFQFREJNR-KRWDZBQOSA-N 1 3 316.470 2.913 20 0 DFADHO CO[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613266 431826123 /nfs/dbraw/zinc/82/61/23/431826123.db2.gz JZIWNHWSNZGBSX-RTBURBONSA-N 1 3 317.477 2.841 20 0 DFADHO c1ccc([C@@H]2CO[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000657657132 431833614 /nfs/dbraw/zinc/83/36/14/431833614.db2.gz WBMDWUHOMFLKGH-RDGPPVDQSA-N 1 3 300.446 2.776 20 0 DFADHO c1ccc([C@@H]2CO[C@H](CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000657657132 431833618 /nfs/dbraw/zinc/83/36/18/431833618.db2.gz WBMDWUHOMFLKGH-RDGPPVDQSA-N 1 3 300.446 2.776 20 0 DFADHO Cc1ccc2c(c1)C[N@H+](CCCN1CCN(C(C)C)CC1)CC2 ZINC000661372093 431835459 /nfs/dbraw/zinc/83/54/59/431835459.db2.gz WBCWPZHAQXEIGT-UHFFFAOYSA-N 1 3 315.505 2.769 20 0 DFADHO Cc1ccc2c(c1)C[N@@H+](CCCN1CCN(C(C)C)CC1)CC2 ZINC000661372093 431835462 /nfs/dbraw/zinc/83/54/62/431835462.db2.gz WBCWPZHAQXEIGT-UHFFFAOYSA-N 1 3 315.505 2.769 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437870767 297073033 /nfs/dbraw/zinc/07/30/33/297073033.db2.gz SSLAZBQQFCQNKG-NUJGCVRESA-N 1 3 321.509 2.773 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437870767 297073034 /nfs/dbraw/zinc/07/30/34/297073034.db2.gz SSLAZBQQFCQNKG-NUJGCVRESA-N 1 3 321.509 2.773 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1F ZINC000282347949 295207436 /nfs/dbraw/zinc/20/74/36/295207436.db2.gz PEALERNJXDWSQA-CQSZACIVSA-N 1 3 323.456 2.511 20 0 DFADHO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000154372104 295298537 /nfs/dbraw/zinc/29/85/37/295298537.db2.gz NEKMRTYIQDZXMS-LPHOPBHVSA-N 1 3 301.478 2.537 20 0 DFADHO C[C@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CN1C1CC1 ZINC000157547830 295349911 /nfs/dbraw/zinc/34/99/11/295349911.db2.gz YOVJSIVZEPOSLO-DOTOQJQBSA-N 1 3 305.510 2.998 20 0 DFADHO COCCOc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158144275 295358855 /nfs/dbraw/zinc/35/88/55/295358855.db2.gz PLHULKAATNACGL-HOTGVXAUSA-N 1 3 306.450 2.704 20 0 DFADHO COCCOc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158144275 295358858 /nfs/dbraw/zinc/35/88/58/295358858.db2.gz PLHULKAATNACGL-HOTGVXAUSA-N 1 3 306.450 2.704 20 0 DFADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000158679601 295366158 /nfs/dbraw/zinc/36/61/58/295366158.db2.gz YTJKOPXHIRFGGH-IXDOHACOSA-N 1 3 311.514 2.591 20 0 DFADHO CCC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccccn1 ZINC000159308246 295375247 /nfs/dbraw/zinc/37/52/47/295375247.db2.gz YXYLPOZZVDZZPF-QGZVFWFLSA-N 1 3 304.482 2.538 20 0 DFADHO CCC[C@H](C(=O)NCC1CC[NH+](CCC(C)C)CC1)N(C)C ZINC000162435213 295413667 /nfs/dbraw/zinc/41/36/67/295413667.db2.gz YUWWEFPHEFEEHO-QGZVFWFLSA-N 1 3 311.514 2.591 20 0 DFADHO CCC[C@@H](N)C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370765018 295463169 /nfs/dbraw/zinc/46/31/69/295463169.db2.gz AXIGDJQKXUMERZ-BDVYOWHSSA-N 1 3 309.498 2.615 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000411458993 295540961 /nfs/dbraw/zinc/54/09/61/295540961.db2.gz FUXYENFWZNZQOU-INIZCTEOSA-N 1 3 317.477 2.555 20 0 DFADHO CC[C@@H]1CN(C/C=C\C[N@@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439470874 297127214 /nfs/dbraw/zinc/12/72/14/297127214.db2.gz FEFBBCSJGLFIGL-OSFIAYCASA-N 1 3 310.482 2.544 20 0 DFADHO CC[C@@H]1CN(C/C=C\C[N@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439470874 297127215 /nfs/dbraw/zinc/12/72/15/297127215.db2.gz FEFBBCSJGLFIGL-OSFIAYCASA-N 1 3 310.482 2.544 20 0 DFADHO CCc1ccc(CCN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000441262303 297177775 /nfs/dbraw/zinc/17/77/75/297177775.db2.gz VPVRWUWAHFEAEV-VAMGGRTRSA-N 1 3 316.489 2.975 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC000441349993 297180444 /nfs/dbraw/zinc/18/04/44/297180444.db2.gz HCULDVDWCIYKKO-KBPBESRZSA-N 1 3 321.431 2.723 20 0 DFADHO CC[C@@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000441347279 297180586 /nfs/dbraw/zinc/18/05/86/297180586.db2.gz AANWXSXUECQIFR-KRWDZBQOSA-N 1 3 303.494 2.796 20 0 DFADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1cccc2ccccc21 ZINC000442750991 297204225 /nfs/dbraw/zinc/20/42/25/297204225.db2.gz BKMYLKATYPWJCE-LSDHHAIUSA-N 1 3 311.429 2.838 20 0 DFADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000442750991 297204227 /nfs/dbraw/zinc/20/42/27/297204227.db2.gz BKMYLKATYPWJCE-LSDHHAIUSA-N 1 3 311.429 2.838 20 0 DFADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000442750991 297204230 /nfs/dbraw/zinc/20/42/30/297204230.db2.gz BKMYLKATYPWJCE-LSDHHAIUSA-N 1 3 311.429 2.838 20 0 DFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1CCC(F)(F)CC1 ZINC000442869975 297208696 /nfs/dbraw/zinc/20/86/96/297208696.db2.gz CDAMLYLNYKUQCS-AWEZNQCLSA-N 1 3 317.468 2.816 20 0 DFADHO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442887948 297209574 /nfs/dbraw/zinc/20/95/74/297209574.db2.gz CFPSREDOGRWDSV-KSSFIOAISA-N 1 3 319.468 2.675 20 0 DFADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]CC1(O)CCN(C)CC1 ZINC000442998852 297212855 /nfs/dbraw/zinc/21/28/55/297212855.db2.gz JQEPSBMLHYJFDP-UHFFFAOYSA-N 1 3 316.367 2.560 20 0 DFADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCCCC2CCCCC2)C1 ZINC000443060630 297214439 /nfs/dbraw/zinc/21/44/39/297214439.db2.gz PKDPOWOUQQEGSB-KRWDZBQOSA-N 1 3 309.498 2.524 20 0 DFADHO [NH3+]CC[C@H]1CCCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000443065991 297214776 /nfs/dbraw/zinc/21/47/76/297214776.db2.gz DDAJYNJWHISNPI-CJNGLKHVSA-N 1 3 321.852 2.506 20 0 DFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)c(C)c1 ZINC000443078672 297215746 /nfs/dbraw/zinc/21/57/46/297215746.db2.gz XIOYXOZKHMXSSC-JKSUJKDBSA-N 1 3 303.450 2.691 20 0 DFADHO CCc1c(C)[nH+]c2ccccc2c1NCCN1CCCOCC1 ZINC000445661413 297264514 /nfs/dbraw/zinc/26/45/14/297264514.db2.gz GDEWLHQRXPBBBZ-UHFFFAOYSA-N 1 3 313.445 2.662 20 0 DFADHO Cc1ccc(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCCN2C)nc1 ZINC000447314375 297300831 /nfs/dbraw/zinc/30/08/31/297300831.db2.gz UYWBJRQARIPJMH-INIZCTEOSA-N 1 3 318.465 2.525 20 0 DFADHO Cc1ccc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCCN2C)nc1 ZINC000447314375 297300833 /nfs/dbraw/zinc/30/08/33/297300833.db2.gz UYWBJRQARIPJMH-INIZCTEOSA-N 1 3 318.465 2.525 20 0 DFADHO Cc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c(C)o1 ZINC000447572496 297308917 /nfs/dbraw/zinc/30/89/17/297308917.db2.gz CGMNZKIVDMMLFN-KKXDTOCCSA-N 1 3 306.450 2.925 20 0 DFADHO COc1ccc2oc([C@H](C)NCCOCC[NH+](C)C)c(C)c2c1 ZINC000447596819 297309896 /nfs/dbraw/zinc/30/98/96/297309896.db2.gz DOFFCMZVACHOLV-AWEZNQCLSA-N 1 3 320.433 2.979 20 0 DFADHO COc1ccc2oc([C@@H](C)NCCOCC[NH+](C)C)c(C)c2c1 ZINC000447596822 297310029 /nfs/dbraw/zinc/31/00/29/297310029.db2.gz DOFFCMZVACHOLV-CQSZACIVSA-N 1 3 320.433 2.979 20 0 DFADHO C[NH+](C)CCOCCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000447597806 297310264 /nfs/dbraw/zinc/31/02/64/297310264.db2.gz HABKULYYYVLGGS-MRXNPFEDSA-N 1 3 304.434 2.601 20 0 DFADHO CN(C)CCOCC[NH2+][C@H]1CCC[C@H]1CCc1ccccc1 ZINC000447603958 297310538 /nfs/dbraw/zinc/31/05/38/297310538.db2.gz XZQOOQPRAICZRL-OALUTQOASA-N 1 3 304.478 2.956 20 0 DFADHO CN(C)Cc1ccc(-c2noc(C[C@@H]3CCCC[C@H]3[NH3+])n2)cc1 ZINC000448546877 297341805 /nfs/dbraw/zinc/34/18/05/297341805.db2.gz OUAMUIOYPLDKLS-JKSUJKDBSA-N 1 3 314.433 2.858 20 0 DFADHO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccccc1OCCN(C)C ZINC000449103475 297405946 /nfs/dbraw/zinc/40/59/46/297405946.db2.gz BCQVVWCKXVZMNF-HNNXBMFYSA-N 1 3 302.418 2.941 20 0 DFADHO Cc1ccc([C@H](CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])N(C)C)cc1 ZINC000449331264 297447723 /nfs/dbraw/zinc/44/77/23/297447723.db2.gz XWAOUGHCBREUGE-KURKYZTESA-N 1 3 317.477 2.622 20 0 DFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N(CCN(C)C)c1ccccc1 ZINC000449338621 297449084 /nfs/dbraw/zinc/44/90/84/297449084.db2.gz VYFOYDADHMAMML-MRXNPFEDSA-N 1 3 305.466 2.605 20 0 DFADHO CC1CCC(N2CCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)CC1 ZINC000449350782 297451873 /nfs/dbraw/zinc/45/18/73/297451873.db2.gz NIUHWJZTCNLOAD-IKJBURDNSA-N 1 3 321.509 2.617 20 0 DFADHO C[NH+](C)CCCC(C)(C)NCc1cnnn1Cc1ccccc1 ZINC000449527763 297487263 /nfs/dbraw/zinc/48/72/63/297487263.db2.gz KUKVPMVTMHTCFZ-UHFFFAOYSA-N 1 3 315.465 2.536 20 0 DFADHO COC1([C@H](C)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000453055104 298057548 /nfs/dbraw/zinc/05/75/48/298057548.db2.gz DCPQYKFYNSPWCH-ZACQAIPSSA-N 1 3 312.498 2.528 20 0 DFADHO COC1([C@H](C)[NH2+]CCCN2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000453055104 298057551 /nfs/dbraw/zinc/05/75/51/298057551.db2.gz DCPQYKFYNSPWCH-ZACQAIPSSA-N 1 3 312.498 2.528 20 0 DFADHO CN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453053757 298057684 /nfs/dbraw/zinc/05/76/84/298057684.db2.gz GRAQDHYUEMCKSR-VAMGGRTRSA-N 1 3 315.505 2.971 20 0 DFADHO CCN1CCN(CCC[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453073453 298059601 /nfs/dbraw/zinc/05/96/01/298059601.db2.gz GIWAXAFAKGRRTC-UHFFFAOYSA-N 1 3 315.505 2.551 20 0 DFADHO C[C@H](Cc1cnccn1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000453115268 298063285 /nfs/dbraw/zinc/06/32/85/298063285.db2.gz WYSKXPWQRZFHJM-IEBWSBKVSA-N 1 3 324.472 2.562 20 0 DFADHO C[C@H](Cc1cnccn1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000453115268 298063286 /nfs/dbraw/zinc/06/32/86/298063286.db2.gz WYSKXPWQRZFHJM-IEBWSBKVSA-N 1 3 324.472 2.562 20 0 DFADHO C[C@H](Cc1cnccn1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000453115268 298063287 /nfs/dbraw/zinc/06/32/87/298063287.db2.gz WYSKXPWQRZFHJM-IEBWSBKVSA-N 1 3 324.472 2.562 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21)N(C)C ZINC000453117712 298064051 /nfs/dbraw/zinc/06/40/51/298064051.db2.gz ZNQQIKQNXSKDQL-MDNKFWRPSA-N 1 3 315.505 2.969 20 0 DFADHO CO[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000453268236 298078731 /nfs/dbraw/zinc/07/87/31/298078731.db2.gz NTTYWVTYVNWTJK-INDMIFKZSA-N 1 3 302.462 2.707 20 0 DFADHO CO[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000453268236 298078732 /nfs/dbraw/zinc/07/87/32/298078732.db2.gz NTTYWVTYVNWTJK-INDMIFKZSA-N 1 3 302.462 2.707 20 0 DFADHO O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000453350768 298086108 /nfs/dbraw/zinc/08/61/08/298086108.db2.gz FDGIVFKIWFECLX-SWBPCFCJSA-N 1 3 314.473 2.790 20 0 DFADHO O[C@H]1C[C@@H](N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000453350768 298086111 /nfs/dbraw/zinc/08/61/11/298086111.db2.gz FDGIVFKIWFECLX-SWBPCFCJSA-N 1 3 314.473 2.790 20 0 DFADHO O[C@H]1C[C@@H](N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000453350768 298086114 /nfs/dbraw/zinc/08/61/14/298086114.db2.gz FDGIVFKIWFECLX-SWBPCFCJSA-N 1 3 314.473 2.790 20 0 DFADHO CCC1(C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)COC1 ZINC000453390510 298089220 /nfs/dbraw/zinc/08/92/20/298089220.db2.gz YCYFSMNSTOWZMD-OAHLLOKOSA-N 1 3 306.450 2.704 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H](CO)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000453411339 298091745 /nfs/dbraw/zinc/09/17/45/298091745.db2.gz AKEGPDLRVWXVPZ-WDSOQIARSA-N 1 3 304.478 2.527 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H](CO)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000453411339 298091746 /nfs/dbraw/zinc/09/17/46/298091746.db2.gz AKEGPDLRVWXVPZ-WDSOQIARSA-N 1 3 304.478 2.527 20 0 DFADHO C[N@H+](CCCCNCc1cccc2c1OCCCO2)C1CC1 ZINC000453600232 298103647 /nfs/dbraw/zinc/10/36/47/298103647.db2.gz SACOIDOXSZWXSL-UHFFFAOYSA-N 1 3 304.434 2.812 20 0 DFADHO C[N@@H+](CCCCNCc1cccc2c1OCCCO2)C1CC1 ZINC000453600232 298103649 /nfs/dbraw/zinc/10/36/49/298103649.db2.gz SACOIDOXSZWXSL-UHFFFAOYSA-N 1 3 304.434 2.812 20 0 DFADHO C[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1[C@H](C)CC[C@@H]1C ZINC000245203772 298140175 /nfs/dbraw/zinc/14/01/75/298140175.db2.gz WARZNWOGQJTGIJ-HZSPNIEDSA-N 1 3 309.498 2.673 20 0 DFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000497089566 300159551 /nfs/dbraw/zinc/15/95/51/300159551.db2.gz NHKWEUNPRPXYBN-URGYJCLVSA-N 1 3 311.470 2.505 20 0 DFADHO C[NH+](C)[C@H]1CCC[C@@H](NC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000497089566 300159554 /nfs/dbraw/zinc/15/95/54/300159554.db2.gz NHKWEUNPRPXYBN-URGYJCLVSA-N 1 3 311.470 2.505 20 0 DFADHO CCNCCC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497202011 300177552 /nfs/dbraw/zinc/17/75/52/300177552.db2.gz IPSRIKOWVZVBKU-INIZCTEOSA-N 1 3 319.449 2.629 20 0 DFADHO CC[NH2+]CCCN[C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497202011 300177554 /nfs/dbraw/zinc/17/75/54/300177554.db2.gz IPSRIKOWVZVBKU-INIZCTEOSA-N 1 3 319.449 2.629 20 0 DFADHO CN(CCC[NH+](C)C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000497304378 300188761 /nfs/dbraw/zinc/18/87/61/300188761.db2.gz LQYDDCPKBIMHTG-HNNXBMFYSA-N 1 3 313.486 2.517 20 0 DFADHO COCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000514092362 300259090 /nfs/dbraw/zinc/25/90/90/300259090.db2.gz FAVHWXNCUDXGAS-GUDVDZBRSA-N 1 3 302.462 2.913 20 0 DFADHO COCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000514092362 300259093 /nfs/dbraw/zinc/25/90/93/300259093.db2.gz FAVHWXNCUDXGAS-GUDVDZBRSA-N 1 3 302.462 2.913 20 0 DFADHO COCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000514092362 300259095 /nfs/dbraw/zinc/25/90/95/300259095.db2.gz FAVHWXNCUDXGAS-GUDVDZBRSA-N 1 3 302.462 2.913 20 0 DFADHO [NH3+][C@H](CCC(=O)N1CC[C@@H](N2CCCC2)C1)CC1CCCCC1 ZINC000515057244 300287758 /nfs/dbraw/zinc/28/77/58/300287758.db2.gz WOEFIRUGHSXBJY-QZTJIDSGSA-N 1 3 321.509 2.761 20 0 DFADHO CN1CCC[C@@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000515654471 300316626 /nfs/dbraw/zinc/31/66/26/300316626.db2.gz SUGSTEDGBWPAJG-IRXDYDNUSA-N 1 3 309.498 2.522 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cccc(-c2cccnc2)c1 ZINC000516173918 300332578 /nfs/dbraw/zinc/33/25/78/300332578.db2.gz MUSKRZDQPKWMMW-KYNGSXCRSA-N 1 3 311.429 2.591 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(NC(=O)c3ccncc3)cc2)C1 ZINC000516937589 300371180 /nfs/dbraw/zinc/37/11/80/300371180.db2.gz LHEKLOBOLRUQDL-AEFFLSMTSA-N 1 3 324.428 2.693 20 0 DFADHO C[C@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)[C@@H]1CCCNC1 ZINC000517023974 300377902 /nfs/dbraw/zinc/37/79/02/300377902.db2.gz JORCVYHIGBUJHT-XMZVIZOASA-N 1 3 302.462 2.520 20 0 DFADHO C[C@H](NCC1(CO)CC(c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000517023974 300377905 /nfs/dbraw/zinc/37/79/05/300377905.db2.gz JORCVYHIGBUJHT-XMZVIZOASA-N 1 3 302.462 2.520 20 0 DFADHO C[C@@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)[C@@H]1CCCNC1 ZINC000517023971 300377991 /nfs/dbraw/zinc/37/79/91/300377991.db2.gz JORCVYHIGBUJHT-BJMVHTGZSA-N 1 3 302.462 2.520 20 0 DFADHO C[C@@H](NCC1(CO)CC(c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000517023971 300377994 /nfs/dbraw/zinc/37/79/94/300377994.db2.gz JORCVYHIGBUJHT-BJMVHTGZSA-N 1 3 302.462 2.520 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCOc2ccccc2C(F)(F)F)C1 ZINC000519833203 300481931 /nfs/dbraw/zinc/48/19/31/300481931.db2.gz BPPHHLUWBKDQPK-VXGBXAGGSA-N 1 3 302.340 2.944 20 0 DFADHO C[C@H](NCc1ccncc1OCCC[NH+](C)C)[C@H]1CC12CC2 ZINC000527901673 300709237 /nfs/dbraw/zinc/70/92/37/300709237.db2.gz RVEVMNPOJJZPNQ-GOEBONIOSA-N 1 3 303.450 2.690 20 0 DFADHO CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000527974724 300720596 /nfs/dbraw/zinc/72/05/96/300720596.db2.gz OQCLATFSHWMSTD-QGTPRVQTSA-N 1 3 306.450 2.845 20 0 DFADHO Fc1ccc(N2CCC([NH2+][C@@H]3CCNC34CCC4)CC2)c(F)c1 ZINC000530177837 301025601 /nfs/dbraw/zinc/02/56/01/301025601.db2.gz ILZRJNDWNRJHKX-QGZVFWFLSA-N 1 3 321.415 2.808 20 0 DFADHO C[C@@H]1[C@H](N[C@H]2CC[NH2+]C23CCC3)CCCN1Cc1ccccc1 ZINC000530216017 301029910 /nfs/dbraw/zinc/02/99/10/301029910.db2.gz LSFJFBSFSYNOBF-QRQLOZEOSA-N 1 3 313.489 2.914 20 0 DFADHO FC(F)(F)c1ncccc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000530219693 301030967 /nfs/dbraw/zinc/03/09/67/301030967.db2.gz HXFIKFUHGUZQFZ-STQMWFEESA-N 1 3 313.367 2.922 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3[nH]cnc3c2)C[C@H](C)O1 ZINC000530722859 301065016 /nfs/dbraw/zinc/06/50/16/301065016.db2.gz DAPMPMAEHLFJSY-GASCZTMLSA-N 1 3 316.449 2.542 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3nc[nH]c3c2)C[C@H](C)O1 ZINC000530722859 301065017 /nfs/dbraw/zinc/06/50/17/301065017.db2.gz DAPMPMAEHLFJSY-GASCZTMLSA-N 1 3 316.449 2.542 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ccc(C)o2)[C@@H](C)C1 ZINC000532195813 301135795 /nfs/dbraw/zinc/13/57/95/301135795.db2.gz JCZNFLLDPLOLFZ-MAUKXSAKSA-N 1 3 308.466 2.857 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ccc(C)o2)[C@@H](C)C1 ZINC000532195813 301135796 /nfs/dbraw/zinc/13/57/96/301135796.db2.gz JCZNFLLDPLOLFZ-MAUKXSAKSA-N 1 3 308.466 2.857 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ccc(C)o2)[C@@H](C)C1 ZINC000532195815 301135803 /nfs/dbraw/zinc/13/58/03/301135803.db2.gz JCZNFLLDPLOLFZ-YJBOKZPZSA-N 1 3 308.466 2.857 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCc2ccc(C)o2)[C@@H](C)C1 ZINC000532195815 301135804 /nfs/dbraw/zinc/13/58/04/301135804.db2.gz JCZNFLLDPLOLFZ-YJBOKZPZSA-N 1 3 308.466 2.857 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532530343 301158694 /nfs/dbraw/zinc/15/86/94/301158694.db2.gz ZUWBARDDLOBCBO-ZIAGYGMSSA-N 1 3 323.868 2.989 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532530343 301158695 /nfs/dbraw/zinc/15/86/95/301158695.db2.gz ZUWBARDDLOBCBO-ZIAGYGMSSA-N 1 3 323.868 2.989 20 0 DFADHO C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCCN(C[C@H]2CCCOC2)CC1 ZINC000533606412 301210045 /nfs/dbraw/zinc/21/00/45/301210045.db2.gz GTBOEDOMYNCUTA-IPMKNSEASA-N 1 3 324.509 2.626 20 0 DFADHO C[N@@H+](C[C@@H]1CCCOC1)[C@@H]1CCCN(C[C@H]2CCCOC2)CC1 ZINC000533606412 301210046 /nfs/dbraw/zinc/21/00/46/301210046.db2.gz GTBOEDOMYNCUTA-IPMKNSEASA-N 1 3 324.509 2.626 20 0 DFADHO O=C(C[NH2+][C@@H]1CCCC[C@@H]1C1CC1)NCCN1CCCCCC1 ZINC000552279471 301688563 /nfs/dbraw/zinc/68/85/63/301688563.db2.gz MBAZCMCOUHRDNQ-QZTJIDSGSA-N 1 3 321.509 2.537 20 0 DFADHO C[C@@H](NCCc1nc(C(F)(F)F)cs1)[C@H]1CCC[NH2+]C1 ZINC000562958961 302017914 /nfs/dbraw/zinc/01/79/14/302017914.db2.gz GDISFHLASRJWQC-ZJUUUORDSA-N 1 3 307.385 2.682 20 0 DFADHO CC1CC[NH+](C2CCC(NC[C@](C)(O)C(F)(F)F)CC2)CC1 ZINC000562997245 302023506 /nfs/dbraw/zinc/02/35/06/302023506.db2.gz RBWWQRNLKFXTGR-NRXISQOPSA-N 1 3 322.415 2.932 20 0 DFADHO CC(C)C[N@@H+]1CC[C@@H](CNC[C@H](O)CCc2ccccc2)C1 ZINC000564850278 302164335 /nfs/dbraw/zinc/16/43/35/302164335.db2.gz RUSAMNFJPDSPCM-RBUKOAKNSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)C[N@H+]1CC[C@@H](CNC[C@H](O)CCc2ccccc2)C1 ZINC000564850278 302164338 /nfs/dbraw/zinc/16/43/38/302164338.db2.gz RUSAMNFJPDSPCM-RBUKOAKNSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)CN1CC[C@@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000564850278 302164340 /nfs/dbraw/zinc/16/43/40/302164340.db2.gz RUSAMNFJPDSPCM-RBUKOAKNSA-N 1 3 304.478 2.548 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000564989679 302179468 /nfs/dbraw/zinc/17/94/68/302179468.db2.gz WXADCXZFBUJJFX-ROUUACIJSA-N 1 3 311.429 2.622 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000564989679 302179470 /nfs/dbraw/zinc/17/94/70/302179470.db2.gz WXADCXZFBUJJFX-ROUUACIJSA-N 1 3 311.429 2.622 20 0 DFADHO CC(C)COC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000565093075 302193362 /nfs/dbraw/zinc/19/33/62/302193362.db2.gz JFOVTXHCRAYQDH-UHFFFAOYSA-N 1 3 302.462 2.969 20 0 DFADHO COc1ccc([C@H](CN[C@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000565225298 302209868 /nfs/dbraw/zinc/20/98/68/302209868.db2.gz CGPZHGHBGNUYID-LNLFQRSKSA-N 1 3 317.477 2.692 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1cncn1C ZINC000566017424 302253849 /nfs/dbraw/zinc/25/38/49/302253849.db2.gz VVJDSJHGYQDOBJ-WMZOPIPTSA-N 1 3 306.498 2.843 20 0 DFADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CCCCC[C@@H]2N)CC1 ZINC000566090770 302258465 /nfs/dbraw/zinc/25/84/65/302258465.db2.gz LTRCTXKMMPLNLO-MNEFBYGVSA-N 1 3 316.493 2.857 20 0 DFADHO C[C@H](c1ccncc1)N1CCC(N[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000566090770 302258467 /nfs/dbraw/zinc/25/84/67/302258467.db2.gz LTRCTXKMMPLNLO-MNEFBYGVSA-N 1 3 316.493 2.857 20 0 DFADHO Cc1ccncc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000271352362 302295246 /nfs/dbraw/zinc/29/52/46/302295246.db2.gz DLLVJNGZWBOHHS-ZACQAIPSSA-N 1 3 305.466 2.930 20 0 DFADHO CC[NH2+]CCCNC1CCN(Cc2ccccc2Cl)CC1 ZINC000567259630 302345525 /nfs/dbraw/zinc/34/55/25/302345525.db2.gz GIDABBMJFVRIIH-UHFFFAOYSA-N 1 3 309.885 2.894 20 0 DFADHO CSc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)CCC2 ZINC000567269541 302346312 /nfs/dbraw/zinc/34/63/12/302346312.db2.gz KOSWDBPWTSHMTL-QAPCUYQASA-N 1 3 320.502 2.832 20 0 DFADHO CN(C)Cc1ccc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC000567324592 302349707 /nfs/dbraw/zinc/34/97/07/302349707.db2.gz FXKUZXVSMKTYMJ-IBGZPJMESA-N 1 3 316.420 2.581 20 0 DFADHO C[C@H](NCCc1cccc(C(F)(F)F)n1)[C@@H]1CCC[NH2+]C1 ZINC000567490146 302363941 /nfs/dbraw/zinc/36/39/41/302363941.db2.gz VVCTVFRSGZHEJQ-NWDGAFQWSA-N 1 3 301.356 2.621 20 0 DFADHO COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000567646077 302376020 /nfs/dbraw/zinc/37/60/20/302376020.db2.gz SDGWKRRZBVZIQB-PMPSAXMXSA-N 1 3 306.450 2.688 20 0 DFADHO C[C@H](N[C@H]1CCN(c2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000567641188 302376069 /nfs/dbraw/zinc/37/60/69/302376069.db2.gz KHMJRKMZEIJEMZ-LZWOXQAQSA-N 1 3 307.869 2.896 20 0 DFADHO C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)[C@@H]1CCCNC1 ZINC000567641188 302376072 /nfs/dbraw/zinc/37/60/72/302376072.db2.gz KHMJRKMZEIJEMZ-LZWOXQAQSA-N 1 3 307.869 2.896 20 0 DFADHO C[C@@H](CNCCC(=O)Nc1ccccc1)C[NH+]1CCCCC1 ZINC000567678289 302378370 /nfs/dbraw/zinc/37/83/70/302378370.db2.gz OZXWAZDJBBEMQG-INIZCTEOSA-N 1 3 303.450 2.727 20 0 DFADHO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1)CN1CCCCC1 ZINC000567678289 302378372 /nfs/dbraw/zinc/37/83/72/302378372.db2.gz OZXWAZDJBBEMQG-INIZCTEOSA-N 1 3 303.450 2.727 20 0 DFADHO Cc1ncc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(C)n1 ZINC000358032946 302703527 /nfs/dbraw/zinc/70/35/27/302703527.db2.gz DSGBYCPFGMZWMV-KKUMJFAQSA-N 1 3 320.481 2.633 20 0 DFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182234120 316092087 /nfs/dbraw/zinc/09/20/87/316092087.db2.gz SSSOOKCXDAVXFA-SJORKVTESA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H](NCCC(=O)NC1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749734 316191233 /nfs/dbraw/zinc/19/12/33/316191233.db2.gz HEKGKQKZRAETCX-HZPDHXFCSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@@H](NCCC(=O)NC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749734 316191241 /nfs/dbraw/zinc/19/12/41/316191241.db2.gz HEKGKQKZRAETCX-HZPDHXFCSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@@H]([NH2+]CCC(=O)NC1CCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185749734 316191248 /nfs/dbraw/zinc/19/12/48/316191248.db2.gz HEKGKQKZRAETCX-HZPDHXFCSA-N 1 3 321.509 2.678 20 0 DFADHO COc1cc2c(cc1CN1CCC([C@@H](C)[NH3+])CC1)O[C@H](C)C2 ZINC000317053797 316247434 /nfs/dbraw/zinc/24/74/34/316247434.db2.gz XGHOBTRNSCQBHB-CHWSQXEVSA-N 1 3 304.434 2.578 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(OCC(F)(F)F)cc1 ZINC000414786021 316655389 /nfs/dbraw/zinc/65/53/89/316655389.db2.gz APWIMKWASHMULO-TZMCWYRMSA-N 1 3 302.340 2.845 20 0 DFADHO CCOc1cc(CN[C@H]2CCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000414788637 316657262 /nfs/dbraw/zinc/65/72/62/316657262.db2.gz DROLWSMRUBNGGO-OLZOCXBDSA-N 1 3 314.376 2.904 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414800863 316662296 /nfs/dbraw/zinc/66/22/96/316662296.db2.gz LMWSVINIJDFEPM-WDSOQIARSA-N 1 3 318.461 2.852 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000414800140 316662381 /nfs/dbraw/zinc/66/23/81/316662381.db2.gz RVAHKBRZLIRYGM-OCCSQVGLSA-N 1 3 310.825 2.718 20 0 DFADHO Cc1csc(N2CCC([NH2+][C@H]3CCCC[C@@H]3CN)CC2)n1 ZINC000414811898 316665327 /nfs/dbraw/zinc/66/53/27/316665327.db2.gz WWRYVRNKVJPXRL-HIFRSBDPSA-N 1 3 308.495 2.527 20 0 DFADHO CCOc1c(OC)cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414813498 316666117 /nfs/dbraw/zinc/66/61/17/316666117.db2.gz YKHUSXFBSCDWJR-HUUCEWRRSA-N 1 3 322.449 2.710 20 0 DFADHO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccncc1 ZINC000453106441 317163605 /nfs/dbraw/zinc/16/36/05/317163605.db2.gz DKMPIQNVPFEWIV-YJBOKZPZSA-N 1 3 303.450 2.623 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(C)c2)[C@H](C)C1 ZINC000453276951 317175336 /nfs/dbraw/zinc/17/53/36/317175336.db2.gz BGQSSUQRNJRHFZ-QAPCUYQASA-N 1 3 305.466 2.617 20 0 DFADHO C[NH+]1CCC([C@@H]2CCN(Cc3cnc(C4CC4)nc3)C2)CC1 ZINC000459549654 317328622 /nfs/dbraw/zinc/32/86/22/317328622.db2.gz FWUWZXKUFOJORU-QGZVFWFLSA-N 1 3 300.450 2.518 20 0 DFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H]3C[C@@H]3C)cc2)CC1 ZINC000488412032 317390777 /nfs/dbraw/zinc/39/07/77/317390777.db2.gz KXXGCFKPCFYZJT-LPHOPBHVSA-N 1 3 301.478 2.570 20 0 DFADHO CN(C)CCN1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000490585683 317525367 /nfs/dbraw/zinc/52/53/67/317525367.db2.gz YQPJLGJGWOBOMS-UHFFFAOYSA-N 1 3 315.505 2.681 20 0 DFADHO Cc1ccc(F)cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240471 317777975 /nfs/dbraw/zinc/77/79/75/317777975.db2.gz LTWRJFCTZLDMLT-GOSISDBHSA-N 1 3 306.425 2.725 20 0 DFADHO C[C@H](c1ccccc1F)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240954 317777983 /nfs/dbraw/zinc/77/79/83/317777983.db2.gz OGOHVFNXZRJIOL-ZBFHGGJFSA-N 1 3 306.425 2.977 20 0 DFADHO CC(C)C[C@H](CNC(=O)C1(N)CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000572758517 318002592 /nfs/dbraw/zinc/00/25/92/318002592.db2.gz NEBHXNMVRYXVRU-NVXWUHKLSA-N 1 3 317.477 2.750 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC3(O)CC3)C2)s1 ZINC000574576308 318025697 /nfs/dbraw/zinc/02/56/97/318025697.db2.gz KYFBYTWVLPHAPY-HNNXBMFYSA-N 1 3 308.491 2.725 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC3(O)CC3)C2)s1 ZINC000574576308 318025700 /nfs/dbraw/zinc/02/57/00/318025700.db2.gz KYFBYTWVLPHAPY-HNNXBMFYSA-N 1 3 308.491 2.725 20 0 DFADHO CCc1noc(-c2ccc(CCN[C@@H]3CCC[NH2+]CC3)cc2)n1 ZINC000574972518 318053954 /nfs/dbraw/zinc/05/39/54/318053954.db2.gz QZDPSXNZLJPMBD-MRXNPFEDSA-N 1 3 314.433 2.573 20 0 DFADHO CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCCNCC3)cc2)n1 ZINC000574972518 318053956 /nfs/dbraw/zinc/05/39/56/318053956.db2.gz QZDPSXNZLJPMBD-MRXNPFEDSA-N 1 3 314.433 2.573 20 0 DFADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000575861593 318087812 /nfs/dbraw/zinc/08/78/12/318087812.db2.gz BYAJYVMIEGDXAY-FGTMMUONSA-N 1 3 320.477 2.506 20 0 DFADHO CCOc1cc(CCC[NH2+][C@H]2CCC[C@H](N)C2)ccc1OC ZINC000576718015 318145958 /nfs/dbraw/zinc/14/59/58/318145958.db2.gz NVMHTECSZNLVGL-HOTGVXAUSA-N 1 3 306.450 2.886 20 0 DFADHO COCC[C@@H]1CCCC[N@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000577499210 318197531 /nfs/dbraw/zinc/19/75/31/318197531.db2.gz PQKQEPKYBODUFQ-INIZCTEOSA-N 1 3 302.462 2.971 20 0 DFADHO COCC[C@@H]1CCCC[N@@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000577499210 318197532 /nfs/dbraw/zinc/19/75/32/318197532.db2.gz PQKQEPKYBODUFQ-INIZCTEOSA-N 1 3 302.462 2.971 20 0 DFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H]2CCC[C@H](N(C)C)C2)c1 ZINC000578127172 318239705 /nfs/dbraw/zinc/23/97/05/318239705.db2.gz GGKYFOBNEQLAOF-OKZBNKHCSA-N 1 3 320.477 2.506 20 0 DFADHO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@H]1CCCNC1 ZINC000578314058 318252050 /nfs/dbraw/zinc/25/20/50/318252050.db2.gz WZNFWCGAIRTHJS-CVEARBPZSA-N 1 3 320.452 2.852 20 0 DFADHO C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCNC1 ZINC000578433961 318260480 /nfs/dbraw/zinc/26/04/80/318260480.db2.gz RPSCRDDDPNMZFA-UKRRQHHQSA-N 1 3 321.431 2.629 20 0 DFADHO CCOC(=O)CCN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000578511847 318265899 /nfs/dbraw/zinc/26/58/99/318265899.db2.gz IBYQRBKQGDCALV-OAHLLOKOSA-N 1 3 324.490 2.763 20 0 DFADHO CCOC(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000578511847 318265900 /nfs/dbraw/zinc/26/59/00/318265900.db2.gz IBYQRBKQGDCALV-OAHLLOKOSA-N 1 3 324.490 2.763 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cncc(Br)c1 ZINC000578523660 318267438 /nfs/dbraw/zinc/26/74/38/318267438.db2.gz KKFDINKARDKPEK-WDEREUQCSA-N 1 3 300.244 2.835 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618585 318273294 /nfs/dbraw/zinc/27/32/94/318273294.db2.gz HXGUAVGJIYASFX-ZHALLVOQSA-N 1 3 304.478 2.861 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618585 318273296 /nfs/dbraw/zinc/27/32/96/318273296.db2.gz HXGUAVGJIYASFX-ZHALLVOQSA-N 1 3 304.478 2.861 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618585 318273298 /nfs/dbraw/zinc/27/32/98/318273298.db2.gz HXGUAVGJIYASFX-ZHALLVOQSA-N 1 3 304.478 2.861 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(CN(C)C)cc1)C1CC[NH2+]CC1 ZINC000578765228 318284054 /nfs/dbraw/zinc/28/40/54/318284054.db2.gz OADJBYVBUJZPAC-AWEZNQCLSA-N 1 3 303.450 2.713 20 0 DFADHO COCCNC1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000578778292 318285401 /nfs/dbraw/zinc/28/54/01/318285401.db2.gz PGBFKJUOMUSCFL-UHFFFAOYSA-N 1 3 310.869 2.973 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCc3cn[nH]c3)C2)s1 ZINC000579014930 318302570 /nfs/dbraw/zinc/30/25/70/318302570.db2.gz YCLFSHIWEKFWDO-INIZCTEOSA-N 1 3 318.490 2.776 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCc3cn[nH]c3)C2)s1 ZINC000579014930 318302571 /nfs/dbraw/zinc/30/25/71/318302571.db2.gz YCLFSHIWEKFWDO-INIZCTEOSA-N 1 3 318.490 2.776 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(OCC(F)(F)F)nc1 ZINC000579225113 318315479 /nfs/dbraw/zinc/31/54/79/318315479.db2.gz DWTKZNGDHFFCHI-OLZOCXBDSA-N 1 3 317.355 2.630 20 0 DFADHO C[C@H](NCCOc1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000579342063 318323441 /nfs/dbraw/zinc/32/34/41/318323441.db2.gz TTZRJIGCLQFYMH-NWDGAFQWSA-N 1 3 300.805 2.836 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000579495325 318335647 /nfs/dbraw/zinc/33/56/47/318335647.db2.gz WUVDITORCCXUQB-GOEBONIOSA-N 1 3 313.401 2.891 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCCNC2)c(C)c1 ZINC000579928541 318363780 /nfs/dbraw/zinc/36/37/80/318363780.db2.gz LCWJRCBLUVYINN-CVEARBPZSA-N 1 3 303.450 2.752 20 0 DFADHO COCC[N@H+](C)CCCN[C@H]1CCCc2c(OC)cccc21 ZINC000194848643 323273449 /nfs/dbraw/zinc/27/34/49/323273449.db2.gz OAYJHXQDUXANMO-KRWDZBQOSA-N 1 3 306.450 2.631 20 0 DFADHO COCC[N@@H+](C)CCCN[C@H]1CCCc2c(OC)cccc21 ZINC000194848643 323273451 /nfs/dbraw/zinc/27/34/51/323273451.db2.gz OAYJHXQDUXANMO-KRWDZBQOSA-N 1 3 306.450 2.631 20 0 DFADHO c1ccc(CN2CCCC[C@@H]2CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000379630364 323289608 /nfs/dbraw/zinc/28/96/08/323289608.db2.gz PTRXMHGKVGAWRJ-RTBURBONSA-N 1 3 301.478 2.773 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C)C2)CCN1Cc1ccccc1 ZINC000379631638 323289776 /nfs/dbraw/zinc/28/97/76/323289776.db2.gz RQDASHMIJYBOOV-MISYRCLQSA-N 1 3 315.505 2.971 20 0 DFADHO CN(CCOCc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000384104462 323305498 /nfs/dbraw/zinc/30/54/98/323305498.db2.gz YIYFPBKSIHLGMP-UHFFFAOYSA-N 1 3 310.441 2.981 20 0 DFADHO C[C@H](NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000386629946 323320144 /nfs/dbraw/zinc/32/01/44/323320144.db2.gz ZXKTZIGTATWQIH-UHOSZYNNSA-N 1 3 301.478 2.944 20 0 DFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000387579312 323326373 /nfs/dbraw/zinc/32/63/73/323326373.db2.gz PIJVTDIEJNCWDC-OAHLLOKOSA-N 1 3 321.465 2.720 20 0 DFADHO Cn1cc(-c2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])s2)cn1 ZINC000581595442 323545403 /nfs/dbraw/zinc/54/54/03/323545403.db2.gz AZUYDKQQLJHSJO-IUODEOHRSA-N 1 3 304.463 2.756 20 0 DFADHO CC[NH+]1CCC(CNCc2ccnn2-c2ccc(F)cc2)CC1 ZINC000581760648 323569232 /nfs/dbraw/zinc/56/92/32/323569232.db2.gz ZMYRLVHBABUMJT-UHFFFAOYSA-N 1 3 316.424 2.833 20 0 DFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000582481327 323679571 /nfs/dbraw/zinc/67/95/71/323679571.db2.gz ROOGETIIULKGEM-YJBOKZPZSA-N 1 3 317.477 2.655 20 0 DFADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCOCCN(C)C ZINC000584449938 337339443 /nfs/dbraw/zinc/33/94/43/337339443.db2.gz VDQJYOGXHYYDQY-ZDUSSCGKSA-N 1 3 318.383 2.804 20 0 DFADHO c1ccc(O[C@H]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000584634215 337377671 /nfs/dbraw/zinc/37/76/71/337377671.db2.gz CRHBLRHVLXUAQS-FQEVSTJZSA-N 1 3 308.425 2.986 20 0 DFADHO CCN(C(=O)CC(C)(C)[NH3+])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368453508 519902017 /nfs/dbraw/zinc/90/20/17/519902017.db2.gz KNYCDUDGIJDPEU-WBVHZDCISA-N 1 3 317.477 2.798 20 0 DFADHO CCC[C@](C)(N)C(=O)NC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000365006409 521275537 /nfs/dbraw/zinc/27/55/37/521275537.db2.gz FJKZHVISKSMAPC-IEZWGBDMSA-N 1 3 317.477 2.531 20 0 DFADHO CCC[C@](C)(N)C(=O)NC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000365006409 521275541 /nfs/dbraw/zinc/27/55/41/521275541.db2.gz FJKZHVISKSMAPC-IEZWGBDMSA-N 1 3 317.477 2.531 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000154334366 521682320 /nfs/dbraw/zinc/68/23/20/521682320.db2.gz MVXIYDCZQWMUOT-DNVCBOLYSA-N 1 3 319.468 2.676 20 0 DFADHO COC1(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCOCC1 ZINC000368440035 522604582 /nfs/dbraw/zinc/60/45/82/522604582.db2.gz ZVMJIFBETSILFI-QZTJIDSGSA-N 1 3 324.509 2.768 20 0 DFADHO COC1(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCOCC1 ZINC000368440035 522604589 /nfs/dbraw/zinc/60/45/89/522604589.db2.gz ZVMJIFBETSILFI-QZTJIDSGSA-N 1 3 324.509 2.768 20 0 DFADHO COC1(C[N@@H+]2CCC[C@@H](CN3CCCC[C@H]3C)C2)CCOCC1 ZINC000368440035 522604597 /nfs/dbraw/zinc/60/45/97/522604597.db2.gz ZVMJIFBETSILFI-QZTJIDSGSA-N 1 3 324.509 2.768 20 0 DFADHO COC1(C[N@H+]2CCC[C@@H](CN3CCCC[C@H]3C)C2)CCOCC1 ZINC000368440035 522604602 /nfs/dbraw/zinc/60/46/02/522604602.db2.gz ZVMJIFBETSILFI-QZTJIDSGSA-N 1 3 324.509 2.768 20 0 DFADHO Cc1[nH+]c2ccccc2c(N[C@@H](C)CN2CCN(C)CC2)c1C ZINC000302104671 534670835 /nfs/dbraw/zinc/67/08/35/534670835.db2.gz WXOZDQXGFNCCFN-AWEZNQCLSA-N 1 3 312.461 2.899 20 0 DFADHO COc1cc2c(cc1CNCCCCC[NH+]1CCCC1)OCO2 ZINC000339496430 523002207 /nfs/dbraw/zinc/00/22/07/523002207.db2.gz CDTIBEJFIYTATB-UHFFFAOYSA-N 1 3 320.433 2.780 20 0 DFADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000367617322 524086090 /nfs/dbraw/zinc/08/60/90/524086090.db2.gz QIKALVPLUXDERH-XHSDSOJGSA-N 1 3 304.434 2.666 20 0 DFADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000367617322 524086093 /nfs/dbraw/zinc/08/60/93/524086093.db2.gz QIKALVPLUXDERH-XHSDSOJGSA-N 1 3 304.434 2.666 20 0 DFADHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1OC ZINC000367617322 524086099 /nfs/dbraw/zinc/08/60/99/524086099.db2.gz QIKALVPLUXDERH-XHSDSOJGSA-N 1 3 304.434 2.666 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000157591351 526245299 /nfs/dbraw/zinc/24/52/99/526245299.db2.gz YLYZLFMNWUXMJX-WMZOPIPTSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000157591351 526245306 /nfs/dbraw/zinc/24/53/06/526245306.db2.gz YLYZLFMNWUXMJX-WMZOPIPTSA-N 1 3 321.509 2.584 20 0 DFADHO O=C1CC[C@@H]([NH2+]C[C@H]2CCN(C3CC3)C2)c2cc(F)ccc2N1 ZINC000364941898 526990731 /nfs/dbraw/zinc/99/07/31/526990731.db2.gz QCCFHYCHCXCFNN-MLGOLLRUSA-N 1 3 317.408 2.673 20 0 DFADHO CC(C)OCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310017777 527963100 /nfs/dbraw/zinc/96/31/00/527963100.db2.gz PFBYBKTZSYKSQF-RBUKOAKNSA-N 1 3 302.462 2.865 20 0 DFADHO CC(C)OCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310017777 527963106 /nfs/dbraw/zinc/96/31/06/527963106.db2.gz PFBYBKTZSYKSQF-RBUKOAKNSA-N 1 3 302.462 2.865 20 0 DFADHO CC(C)Oc1cccc(CN2CCC(OCCC[NH3+])CC2)c1 ZINC000316490579 528223552 /nfs/dbraw/zinc/22/35/52/528223552.db2.gz UAKIYRNJTQIOSG-UHFFFAOYSA-N 1 3 306.450 2.804 20 0 DFADHO CC[NH2+]CC1CCN(Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000261955033 535460308 /nfs/dbraw/zinc/46/03/08/535460308.db2.gz ONVDWCAXMMZTAD-UHFFFAOYSA-N 1 3 318.490 2.970 20 0 DFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[C@@H](C)CCN2)cc1 ZINC000261834835 535605999 /nfs/dbraw/zinc/60/59/99/535605999.db2.gz IHIYHHSULXZCGM-YJBOKZPZSA-N 1 3 317.477 2.533 20 0 DFADHO COc1cc(C)c(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000262065371 536572239 /nfs/dbraw/zinc/57/22/39/536572239.db2.gz FLHYNFFXVFSACV-NUEKZKHPSA-N 1 3 304.434 2.571 20 0 DFADHO CO[C@@]1(CNCc2ccccc2C[NH+]2CCCCC2)CCOC1 ZINC000680853946 545552616 /nfs/dbraw/zinc/55/26/16/545552616.db2.gz UKPYOZFQHIIBLD-LJQANCHMSA-N 1 3 318.461 2.568 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H]2CC23CCOCC3)cc1 ZINC000681824092 545732582 /nfs/dbraw/zinc/73/25/82/545732582.db2.gz KTECJBDTZUVLRE-KRWDZBQOSA-N 1 3 318.461 2.533 20 0 DFADHO C[C@@H]1C[N@H+](CCCNCc2ccc3cnccc3c2)CCCO1 ZINC000683775546 546093297 /nfs/dbraw/zinc/09/32/97/546093297.db2.gz BJTVXPINBBXMOI-MRXNPFEDSA-N 1 3 313.445 2.825 20 0 DFADHO C[C@@H]1C[N@@H+](CCCNCc2ccc3cnccc3c2)CCCO1 ZINC000683775546 546093298 /nfs/dbraw/zinc/09/32/98/546093298.db2.gz BJTVXPINBBXMOI-MRXNPFEDSA-N 1 3 313.445 2.825 20 0 DFADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cc(Cl)cs1 ZINC000685475844 546358884 /nfs/dbraw/zinc/35/88/84/546358884.db2.gz OZCDYXOEZCEZAU-UHFFFAOYSA-N 1 3 303.903 2.717 20 0 DFADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cc(Cl)cs1 ZINC000685475844 546358886 /nfs/dbraw/zinc/35/88/86/546358886.db2.gz OZCDYXOEZCEZAU-UHFFFAOYSA-N 1 3 303.903 2.717 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000150983103 282099684 /nfs/dbraw/zinc/09/96/84/282099684.db2.gz BKSQTVBNRXRBTI-GOSISDBHSA-N 1 3 317.477 2.516 20 0 DFADHO CCCCN1CCC([NH2+]Cc2ccc(NC(C)=O)cc2)CC1 ZINC000079000145 185144220 /nfs/dbraw/zinc/14/42/20/185144220.db2.gz JUHGACSVQUOQCE-UHFFFAOYSA-N 1 3 303.450 2.999 20 0 DFADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(N2CCOC2=O)cc1 ZINC000181296623 199277961 /nfs/dbraw/zinc/27/79/61/199277961.db2.gz FVJIYMIMZZVPIQ-ZBFHGGJFSA-N 1 3 317.433 2.778 20 0 DFADHO OC1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000305861044 231076699 /nfs/dbraw/zinc/07/66/99/231076699.db2.gz LUHLBRUZSLPQSK-AABGDIPYSA-N 1 3 314.473 2.790 20 0 DFADHO COc1ccc2ccccc2c1CNCCOCC[NH+](C)C ZINC000318819234 231174496 /nfs/dbraw/zinc/17/44/96/231174496.db2.gz JUODBGIPHHYNLM-UHFFFAOYSA-N 1 3 302.418 2.516 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCc2ccc(Br)s2)C1 ZINC000226359700 398350585 /nfs/dbraw/zinc/35/05/85/398350585.db2.gz WITBCGYVHNMSDH-UWVGGRQHSA-N 1 3 303.269 2.913 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccc(Br)s2)C1 ZINC000226359698 398350595 /nfs/dbraw/zinc/35/05/95/398350595.db2.gz WITBCGYVHNMSDH-ZJUUUORDSA-N 1 3 303.269 2.913 20 0 DFADHO CC(C)C[C@@H](N)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000236725823 398363327 /nfs/dbraw/zinc/36/33/27/398363327.db2.gz XIHRXNXZYGUXNY-QGZVFWFLSA-N 1 3 305.466 2.516 20 0 DFADHO CC(C)C[C@@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236725823 398363330 /nfs/dbraw/zinc/36/33/30/398363330.db2.gz XIHRXNXZYGUXNY-QGZVFWFLSA-N 1 3 305.466 2.516 20 0 DFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](N)CC(C)C)cc1 ZINC000236905017 398365752 /nfs/dbraw/zinc/36/57/52/398365752.db2.gz NGALBAXMEQCYAB-QGZVFWFLSA-N 1 3 305.466 2.518 20 0 DFADHO CC[C@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C(C)(C)O ZINC000294859708 529652531 /nfs/dbraw/zinc/65/25/31/529652531.db2.gz BWTVXMYVFJFYOZ-YOEHRIQHSA-N 1 3 308.466 2.827 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN(C)C)[C@H]1Sc1ccccc1 ZINC000459361173 299088568 /nfs/dbraw/zinc/08/85/68/299088568.db2.gz FZRMHHWMKQUFFG-BRWVUGGUSA-N 1 3 308.491 2.866 20 0 DFADHO CC(C)[C@@H](C[NH2+]C1CCN(C2CC2)CC1)N1CCC(C)CC1 ZINC000459375346 299090653 /nfs/dbraw/zinc/09/06/53/299090653.db2.gz ZCXUIHGJUORVEP-LJQANCHMSA-N 1 3 307.526 2.959 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCC(C)CC2)[C@H]1SC ZINC000459375908 299090998 /nfs/dbraw/zinc/09/09/98/299090998.db2.gz KTWMZDCVETYJKH-ARFHVFGLSA-N 1 3 300.512 2.607 20 0 DFADHO CC(=O)Nc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000092381093 185314727 /nfs/dbraw/zinc/31/47/27/185314727.db2.gz GTNPGIOVYWYLQM-UHFFFAOYSA-N 1 3 303.450 2.809 20 0 DFADHO CN(C)[C@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)c1ccccc1 ZINC000261617347 282245265 /nfs/dbraw/zinc/24/52/65/282245265.db2.gz BSROILBJZYLUCC-QZTJIDSGSA-N 1 3 317.477 2.703 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(C)(C)C)CC2)[C@@H]1SC ZINC000459387063 299093669 /nfs/dbraw/zinc/09/36/69/299093669.db2.gz JBUGVZNRPGKEQZ-KFWWJZLASA-N 1 3 300.512 2.748 20 0 DFADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1SC ZINC000459387063 299093674 /nfs/dbraw/zinc/09/36/74/299093674.db2.gz JBUGVZNRPGKEQZ-KFWWJZLASA-N 1 3 300.512 2.748 20 0 DFADHO C[NH+](C)CCCCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000413436524 295708190 /nfs/dbraw/zinc/70/81/90/295708190.db2.gz IQFOEOOORXBTSO-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO CC(C)(C)OC(=O)CCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459422955 299102409 /nfs/dbraw/zinc/10/24/09/299102409.db2.gz JJMCTYGTWNEXQN-UHFFFAOYSA-N 1 3 319.449 2.762 20 0 DFADHO FC(F)(F)c1csc(CCNC2CC[NH+](C3CC3)CC2)n1 ZINC000459421537 299102462 /nfs/dbraw/zinc/10/24/62/299102462.db2.gz MEMFCVLPZPBWTO-UHFFFAOYSA-N 1 3 319.396 2.921 20 0 DFADHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1ccc(-n2cncn2)cc1Cl ZINC000584834075 398418129 /nfs/dbraw/zinc/41/81/29/398418129.db2.gz SKDBWRYOEALMCJ-QWHCGFSZSA-N 1 3 319.840 2.571 20 0 DFADHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1ccc(-n2cncn2)cc1Cl ZINC000584834076 398418376 /nfs/dbraw/zinc/41/83/76/398418376.db2.gz SKDBWRYOEALMCJ-STQMWFEESA-N 1 3 319.840 2.571 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)[C@H]1SC ZINC000459427345 299103743 /nfs/dbraw/zinc/10/37/43/299103743.db2.gz NCJRTEJTLVRNEQ-QKPAOTATSA-N 1 3 300.512 2.605 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)[C@H]1SC ZINC000459427345 299103746 /nfs/dbraw/zinc/10/37/46/299103746.db2.gz NCJRTEJTLVRNEQ-QKPAOTATSA-N 1 3 300.512 2.605 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](C(C)C)C2)[C@H]1SC ZINC000459427345 299103748 /nfs/dbraw/zinc/10/37/48/299103748.db2.gz NCJRTEJTLVRNEQ-QKPAOTATSA-N 1 3 300.512 2.605 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292852391 529929957 /nfs/dbraw/zinc/92/99/57/529929957.db2.gz QSGUXISTZOETBJ-ROUUACIJSA-N 1 3 308.441 2.535 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292852391 529929958 /nfs/dbraw/zinc/92/99/58/529929958.db2.gz QSGUXISTZOETBJ-ROUUACIJSA-N 1 3 308.441 2.535 20 0 DFADHO COc1ccc(C)cc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000067452860 398435679 /nfs/dbraw/zinc/43/56/79/398435679.db2.gz LZSURZYEZWKVQT-IRXDYDNUSA-N 1 3 320.477 2.983 20 0 DFADHO COC(=O)C(C)(C)CCNC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592525295 398441743 /nfs/dbraw/zinc/44/17/43/398441743.db2.gz NWLJNSFFAAKSTL-SJORKVTESA-N 1 3 318.461 2.511 20 0 DFADHO COC(=O)C(C)(C)CCNC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592525295 398441746 /nfs/dbraw/zinc/44/17/46/398441746.db2.gz NWLJNSFFAAKSTL-SJORKVTESA-N 1 3 318.461 2.511 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(C3CC3)cc2)CC1 ZINC000459440006 299107153 /nfs/dbraw/zinc/10/71/53/299107153.db2.gz NOVJOXDIRSKECC-UHFFFAOYSA-N 1 3 302.462 2.889 20 0 DFADHO C[C@H](CCNC1CC[NH+](C2CCCCC2)CC1)[S@](C)=O ZINC000090516810 398487933 /nfs/dbraw/zinc/48/79/33/398487933.db2.gz JDZPIRQODXPLQT-JLTOFOAXSA-N 1 3 300.512 2.530 20 0 DFADHO C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000272691509 210097536 /nfs/dbraw/zinc/09/75/36/210097536.db2.gz POABDWRNGIPBCB-GSEOLPGOSA-N 1 3 316.489 2.895 20 0 DFADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)[C@@H]1OCCc2sccc21 ZINC000459556727 299133318 /nfs/dbraw/zinc/13/33/18/299133318.db2.gz KGJOYWLHSXBUNM-PXAZEXFGSA-N 1 3 306.475 2.967 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(CN(C)C)cc2)cn1 ZINC000414053117 295761823 /nfs/dbraw/zinc/76/18/23/295761823.db2.gz AKFWSHRHTBUTKX-HNNXBMFYSA-N 1 3 313.445 2.873 20 0 DFADHO c1cc(N2CCC([NH2+]C[C@H]3CCOC4(CCC4)C3)CC2)ccn1 ZINC000459573271 299137494 /nfs/dbraw/zinc/13/74/94/299137494.db2.gz IMFAEJYUZBBIAI-INIZCTEOSA-N 1 3 315.461 2.989 20 0 DFADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597051077 398555809 /nfs/dbraw/zinc/55/58/09/398555809.db2.gz GYNLGOITIIDXBR-AWEZNQCLSA-N 1 3 324.852 2.948 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccc(OCCN(C)C)cc1 ZINC000414342557 295790066 /nfs/dbraw/zinc/79/00/66/295790066.db2.gz PZLHYAKWEQOLIJ-JZXOWHBKSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCc3cn(C)cn3)CC2)C1 ZINC000459662796 299158828 /nfs/dbraw/zinc/15/88/28/299158828.db2.gz ODIWQGSVASGSSN-QAPCUYQASA-N 1 3 304.482 2.595 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCc3cn(C)cn3)CC2)C1 ZINC000459662796 299158831 /nfs/dbraw/zinc/15/88/31/299158831.db2.gz ODIWQGSVASGSSN-QAPCUYQASA-N 1 3 304.482 2.595 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130447156 185968823 /nfs/dbraw/zinc/96/88/23/185968823.db2.gz DLMOLWGICKBKIF-UYAOXDASSA-N 1 3 315.505 2.938 20 0 DFADHO CCOC(=O)[C@@]1(C)CCC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000597240511 398602504 /nfs/dbraw/zinc/60/25/04/398602504.db2.gz OOOFSWURMSDAGV-YJBOKZPZSA-N 1 3 310.482 2.961 20 0 DFADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)NC[C@H](O)C[NH+]1CCCC1 ZINC000280021302 215316868 /nfs/dbraw/zinc/31/68/68/215316868.db2.gz UAXABOPJFGBDLJ-ZQIUZPCESA-N 1 3 310.869 2.878 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)CCN1C ZINC000155663964 186100797 /nfs/dbraw/zinc/10/07/97/186100797.db2.gz CCBQFJKZWRUCTL-APWZRJJASA-N 1 3 315.505 2.896 20 0 DFADHO CN1CCC[C@@H]1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179725334 186210654 /nfs/dbraw/zinc/21/06/54/186210654.db2.gz ZGHJGTSVOKWNAU-VQIMIIECSA-N 1 3 316.445 2.983 20 0 DFADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccn(C)c3)CC2)C[C@H](C)O1 ZINC000093844290 398647190 /nfs/dbraw/zinc/64/71/90/398647190.db2.gz ANXSGWLRUZIRLS-IRXDYDNUSA-N 1 3 319.493 2.736 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000590658599 398647541 /nfs/dbraw/zinc/64/75/41/398647541.db2.gz UOOGCOMDGBYESH-DDBAPUKQSA-N 1 3 322.493 2.961 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000590658599 398647546 /nfs/dbraw/zinc/64/75/46/398647546.db2.gz UOOGCOMDGBYESH-DDBAPUKQSA-N 1 3 322.493 2.961 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@H]2CCCNC2)cc1O ZINC000414819120 295821734 /nfs/dbraw/zinc/82/17/34/295821734.db2.gz GSNUXLGHHAAOLP-LZWOXQAQSA-N 1 3 306.450 2.700 20 0 DFADHO COc1ccc2nc(CNCC[C@@H]3CCC[NH2+]C3)sc2c1 ZINC000414830816 295823638 /nfs/dbraw/zinc/82/36/38/295823638.db2.gz CLYCETJMOFSWCD-LBPRGKRZSA-N 1 3 305.447 2.784 20 0 DFADHO CCCOc1c(CNCC[C@@H]2CC[NH2+]C2)cccc1OCC ZINC000414826634 295822893 /nfs/dbraw/zinc/82/28/93/295822893.db2.gz FWUJUQXEOBTMQQ-HNNXBMFYSA-N 1 3 306.450 2.963 20 0 DFADHO CC(C)[NH+](CCNC(=O)c1cccc(CN(C)C)c1)C(C)C ZINC000128539128 282983049 /nfs/dbraw/zinc/98/30/49/282983049.db2.gz VKIBNXYVNDPMQP-UHFFFAOYSA-N 1 3 305.466 2.597 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000414837842 295824644 /nfs/dbraw/zinc/82/46/44/295824644.db2.gz VZOMYQIKMIGDAZ-VPSFDDGASA-N 1 3 315.461 2.893 20 0 DFADHO CC(C)C[C@@H](CN)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414853157 295826444 /nfs/dbraw/zinc/82/64/44/295826444.db2.gz RZMVMURUIOVMBT-IBGZPJMESA-N 1 3 303.494 2.657 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2cnc([C@@H]3CCCO3)s2)C1 ZINC000459744038 299179674 /nfs/dbraw/zinc/17/96/74/299179674.db2.gz XPFQQAPOKPFJJC-HIFRSBDPSA-N 1 3 309.479 2.816 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2cnc([C@@H]3CCCO3)s2)C1 ZINC000459744038 299179677 /nfs/dbraw/zinc/17/96/77/299179677.db2.gz XPFQQAPOKPFJJC-HIFRSBDPSA-N 1 3 309.479 2.816 20 0 DFADHO [NH3+]CCCCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000414905160 295833075 /nfs/dbraw/zinc/83/30/75/295833075.db2.gz NOZPMXBHPQDSEK-UHFFFAOYSA-N 1 3 323.238 2.668 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000414904038 295832747 /nfs/dbraw/zinc/83/27/47/295832747.db2.gz KSZBZVBKXKSXFF-GOEBONIOSA-N 1 3 303.450 2.698 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000414929504 295836458 /nfs/dbraw/zinc/83/64/58/295836458.db2.gz RPIHFTIEPPURFN-QWHCGFSZSA-N 1 3 302.340 2.987 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414946121 295838850 /nfs/dbraw/zinc/83/88/50/295838850.db2.gz SPZUXTLLFBJBGR-KDOFPFPSSA-N 1 3 321.896 2.892 20 0 DFADHO COc1ccc(CNC[C@H]2CCC[C@H]([NH3+])C2)c(Cl)c1OC ZINC000414999795 295845804 /nfs/dbraw/zinc/84/58/04/295845804.db2.gz SMQFCXBZPDIOFN-AAEUAGOBSA-N 1 3 312.841 2.964 20 0 DFADHO c1cn2c(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)c(C3CC3)nc2s1 ZINC000415007552 295846587 /nfs/dbraw/zinc/84/65/87/295846587.db2.gz LKCWVXBWFNFXTO-UONOGXRCSA-N 1 3 316.474 2.751 20 0 DFADHO CCCn1c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)nc2ccccc21 ZINC000415015382 295847560 /nfs/dbraw/zinc/84/75/60/295847560.db2.gz YNTAZVSQHAPHMD-DOTOQJQBSA-N 1 3 312.461 2.924 20 0 DFADHO CNC(=O)c1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415051949 295851532 /nfs/dbraw/zinc/85/15/32/295851532.db2.gz KEMRLADMIIHROS-SFHVURJKSA-N 1 3 311.429 2.616 20 0 DFADHO CC(C)N(C)c1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000459795478 299195708 /nfs/dbraw/zinc/19/57/08/299195708.db2.gz VKJRTLZXIFMDMD-INIZCTEOSA-N 1 3 304.482 2.748 20 0 DFADHO CC(C)N(C)c1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000459795478 299195709 /nfs/dbraw/zinc/19/57/09/299195709.db2.gz VKJRTLZXIFMDMD-INIZCTEOSA-N 1 3 304.482 2.748 20 0 DFADHO COC[C@H](C)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000174013554 198280355 /nfs/dbraw/zinc/28/03/55/198280355.db2.gz JTKZVDAPBAJSOI-HNNXBMFYSA-N 1 3 306.450 2.532 20 0 DFADHO Cc1ccc(F)c(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415114540 295860081 /nfs/dbraw/zinc/86/00/81/295860081.db2.gz VLJBFFMFAFGJLA-MSOLQXFVSA-N 1 3 306.425 2.852 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000174520150 198345833 /nfs/dbraw/zinc/34/58/33/198345833.db2.gz LNIWMWYABVOBAC-SFHVURJKSA-N 1 3 317.477 2.528 20 0 DFADHO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000073895168 398707203 /nfs/dbraw/zinc/70/72/03/398707203.db2.gz OWDLXLNGIPYJLN-SFHVURJKSA-N 1 3 320.477 2.539 20 0 DFADHO Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCN(C(C)C)CC1 ZINC000073895168 398707207 /nfs/dbraw/zinc/70/72/07/398707207.db2.gz OWDLXLNGIPYJLN-SFHVURJKSA-N 1 3 320.477 2.539 20 0 DFADHO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000174869915 198395251 /nfs/dbraw/zinc/39/52/51/198395251.db2.gz SVHUXWJNUAGXCY-KRWDZBQOSA-N 1 3 318.465 2.696 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129279253 283009185 /nfs/dbraw/zinc/00/91/85/283009185.db2.gz WVUKVMGNLSSCPN-CABCVRRESA-N 1 3 321.431 2.725 20 0 DFADHO C[N@@H+]1CC[C@H](C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000591097632 398726955 /nfs/dbraw/zinc/72/69/55/398726955.db2.gz YATGEZUTOAXELL-INIZCTEOSA-N 1 3 301.434 2.563 20 0 DFADHO C[N@H+]1CC[C@H](C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000591097632 398726957 /nfs/dbraw/zinc/72/69/57/398726957.db2.gz YATGEZUTOAXELL-INIZCTEOSA-N 1 3 301.434 2.563 20 0 DFADHO CC[NH+](CC)CCCCNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000236845195 202036103 /nfs/dbraw/zinc/03/61/03/202036103.db2.gz HRFXJQUKZVFOQJ-WBVHZDCISA-N 1 3 305.466 2.561 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000236886773 202053124 /nfs/dbraw/zinc/05/31/24/202053124.db2.gz AQKMQOLACSENAA-SFHVURJKSA-N 1 3 317.477 2.662 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)C(C)(C)C)c1ccccc1 ZINC000236879013 202048962 /nfs/dbraw/zinc/04/89/62/202048962.db2.gz PDLLXUWMDJPZBU-HZPDHXFCSA-N 1 3 305.466 2.559 20 0 DFADHO CN(C)[C@H](CC(=O)N1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000416225789 295932117 /nfs/dbraw/zinc/93/21/17/295932117.db2.gz TXXROCRBBMSLJL-ZWKOTPCHSA-N 1 3 317.477 2.622 20 0 DFADHO CCC[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000136206382 283237211 /nfs/dbraw/zinc/23/72/11/283237211.db2.gz RVPPUXIXCQCLBP-BBWFWOEESA-N 1 3 311.514 2.591 20 0 DFADHO CCC[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000136206382 283237213 /nfs/dbraw/zinc/23/72/13/283237213.db2.gz RVPPUXIXCQCLBP-BBWFWOEESA-N 1 3 311.514 2.591 20 0 DFADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)Cn2cccn2)c1 ZINC000138120042 283256006 /nfs/dbraw/zinc/25/60/06/283256006.db2.gz QNFLMPMDALFEAH-MRXNPFEDSA-N 1 3 300.450 2.903 20 0 DFADHO CN1CCC[C@@H]1CC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000179469846 199041814 /nfs/dbraw/zinc/04/18/14/199041814.db2.gz JLXODDYBRYHDKL-QGZVFWFLSA-N 1 3 306.425 2.905 20 0 DFADHO CCN1CCN(c2ccccc2N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000179776710 199078776 /nfs/dbraw/zinc/07/87/76/199078776.db2.gz MQAYSUHLVBBMDU-SJORKVTESA-N 1 3 316.493 2.723 20 0 DFADHO CCN1CCN(c2ccccc2N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000179776710 199078778 /nfs/dbraw/zinc/07/87/78/199078778.db2.gz MQAYSUHLVBBMDU-SJORKVTESA-N 1 3 316.493 2.723 20 0 DFADHO CC[C@H](COC)[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180166648 199125901 /nfs/dbraw/zinc/12/59/01/199125901.db2.gz XCVPNHCBSZQBKS-RDGPPVDQSA-N 1 3 302.462 2.912 20 0 DFADHO COC(=O)c1cc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)oc1C ZINC000594734590 398851438 /nfs/dbraw/zinc/85/14/38/398851438.db2.gz BZOGQEPESOMPLM-HNNXBMFYSA-N 1 3 320.433 2.586 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000152909951 283344541 /nfs/dbraw/zinc/34/45/41/283344541.db2.gz IXGYCONGNPNUTG-GJZGRUSLSA-N 1 3 323.456 2.511 20 0 DFADHO C[C@H]([NH2+]CCOCC(F)F)c1ccc(OCCN(C)C)cc1 ZINC000276646466 213020366 /nfs/dbraw/zinc/02/03/66/213020366.db2.gz LRWFMYMIWZSKFY-ZDUSSCGKSA-N 1 3 316.392 2.559 20 0 DFADHO C[C@H](NCCOCC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000276646466 213020367 /nfs/dbraw/zinc/02/03/67/213020367.db2.gz LRWFMYMIWZSKFY-ZDUSSCGKSA-N 1 3 316.392 2.559 20 0 DFADHO CC(C)[NH+]1CCC(NCC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC000595100185 398905585 /nfs/dbraw/zinc/90/55/85/398905585.db2.gz RMRNKNQAEKMFAT-UHFFFAOYSA-N 1 3 310.482 2.961 20 0 DFADHO CCCc1cccc(C[NH2+]C2CCN(CCN(C)C)CC2)c1 ZINC000187117267 200064048 /nfs/dbraw/zinc/06/40/48/200064048.db2.gz YXZDBECOICRACR-UHFFFAOYSA-N 1 3 303.494 2.755 20 0 DFADHO CCN1CC[C@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000187115359 200064417 /nfs/dbraw/zinc/06/44/17/200064417.db2.gz LKLKBMFRCLTYBL-OAHLLOKOSA-N 1 3 304.434 2.763 20 0 DFADHO CCCc1cccc(C[NH2+]CCCN2CCN(CC)CC2)c1 ZINC000187121798 200064883 /nfs/dbraw/zinc/06/48/83/200064883.db2.gz NGURWMMZUALHBV-UHFFFAOYSA-N 1 3 303.494 2.756 20 0 DFADHO C[C@H](C(=O)NCCC[NH+]1CCCCCC1)[C@H](N)c1ccccc1 ZINC000237568592 202286553 /nfs/dbraw/zinc/28/65/53/202286553.db2.gz ZKEMTOPJHTYLHY-WMZOPIPTSA-N 1 3 317.477 2.705 20 0 DFADHO Cc1nccnc1[C@H](C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000188167070 200203445 /nfs/dbraw/zinc/20/34/45/200203445.db2.gz ZILLLEBGHYHKNO-HNNXBMFYSA-N 1 3 311.433 2.747 20 0 DFADHO CCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000078420917 398955596 /nfs/dbraw/zinc/95/55/96/398955596.db2.gz NVUJLODUABRIDG-IBGZPJMESA-N 1 3 301.478 2.725 20 0 DFADHO CCC[NH+]1CCC(N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000078420917 398955600 /nfs/dbraw/zinc/95/56/00/398955600.db2.gz NVUJLODUABRIDG-IBGZPJMESA-N 1 3 301.478 2.725 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000271885115 209296130 /nfs/dbraw/zinc/29/61/30/209296130.db2.gz QJXFRSJXWUIGTA-OAHLLOKOSA-N 1 3 301.434 2.564 20 0 DFADHO C[C@H]([NH2+]CCCCCCO)c1ccc(OCCN(C)C)cc1 ZINC000271886327 209295384 /nfs/dbraw/zinc/29/53/84/209295384.db2.gz QSFCDIZYWCZCQB-INIZCTEOSA-N 1 3 308.466 2.830 20 0 DFADHO c1cc(CCCN2CC[C@H](C[NH+]3CCCC3)C2)cc2c1OCC2 ZINC000193253626 201014781 /nfs/dbraw/zinc/01/47/81/201014781.db2.gz JBQPVWOSLVUZCO-GOSISDBHSA-N 1 3 314.473 2.972 20 0 DFADHO c1cc(CCC[N@@H+]2CC[C@H](CN3CCCC3)C2)cc2c1OCC2 ZINC000193253626 201014784 /nfs/dbraw/zinc/01/47/84/201014784.db2.gz JBQPVWOSLVUZCO-GOSISDBHSA-N 1 3 314.473 2.972 20 0 DFADHO c1cc(CCC[N@H+]2CC[C@H](CN3CCCC3)C2)cc2c1OCC2 ZINC000193253626 201014786 /nfs/dbraw/zinc/01/47/86/201014786.db2.gz JBQPVWOSLVUZCO-GOSISDBHSA-N 1 3 314.473 2.972 20 0 DFADHO CCN1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000078670205 398978772 /nfs/dbraw/zinc/97/87/72/398978772.db2.gz ORTXJSSXCFUMMU-SFHVURJKSA-N 1 3 317.477 2.743 20 0 DFADHO CSC1(CNCc2cnc3ccccc3n2)CC[NH+](C)CC1 ZINC000600163152 398980614 /nfs/dbraw/zinc/98/06/14/398980614.db2.gz AHQBKPLDAMNREC-UHFFFAOYSA-N 1 3 316.474 2.547 20 0 DFADHO COc1ccc2c(c1)[C@H](NCCOCC[NH+](C)C)CCCS2 ZINC000447601821 297310315 /nfs/dbraw/zinc/31/03/15/297310315.db2.gz REDVGQHFYFZICW-MRXNPFEDSA-N 1 3 324.490 2.790 20 0 DFADHO C[NH2+]CCC1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000417808896 296053419 /nfs/dbraw/zinc/05/34/19/296053419.db2.gz LZXXEIUWMMSDFE-QGZVFWFLSA-N 1 3 317.477 2.561 20 0 DFADHO COc1cc(CNCC2=CC[N@H+](C)CC2)ccc1OC(C)C ZINC000271840778 209259421 /nfs/dbraw/zinc/25/94/21/209259421.db2.gz QRZHVUSXPZMAHP-UHFFFAOYSA-N 1 3 304.434 2.834 20 0 DFADHO COc1cc(CNCC2=CC[N@@H+](C)CC2)ccc1OC(C)C ZINC000271840778 209259424 /nfs/dbraw/zinc/25/94/24/209259424.db2.gz QRZHVUSXPZMAHP-UHFFFAOYSA-N 1 3 304.434 2.834 20 0 DFADHO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475033366 299341328 /nfs/dbraw/zinc/34/13/28/299341328.db2.gz JHWIGIZVYNBEFC-CGTJXYLNSA-N 1 3 317.477 2.526 20 0 DFADHO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475033366 299341331 /nfs/dbraw/zinc/34/13/31/299341331.db2.gz JHWIGIZVYNBEFC-CGTJXYLNSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000621651889 399008589 /nfs/dbraw/zinc/00/85/89/399008589.db2.gz RUZKKJOCXJPQQL-RBSFLKMASA-N 1 3 318.465 2.551 20 0 DFADHO CN1CC=C(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000271803086 209229591 /nfs/dbraw/zinc/22/95/91/209229591.db2.gz JIMWOJXSJWOIKA-UHFFFAOYSA-N 1 3 300.381 2.567 20 0 DFADHO CCCN(CCN1CCCCCC1)C(=O)NC1CCC([NH3+])CC1 ZINC000418393241 296092483 /nfs/dbraw/zinc/09/24/83/296092483.db2.gz DZKFQVOXXLSEOJ-UHFFFAOYSA-N 1 3 324.513 2.554 20 0 DFADHO COC(=O)[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)[C@@H]2CCCC[C@@H]12 ZINC000595734608 399061971 /nfs/dbraw/zinc/06/19/71/399061971.db2.gz UJJJNDBLVFFCPO-MWDXBVQZSA-N 1 3 308.466 2.524 20 0 DFADHO COC(=O)[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)[C@@H]2CCCC[C@@H]12 ZINC000595734608 399061974 /nfs/dbraw/zinc/06/19/74/399061974.db2.gz UJJJNDBLVFFCPO-MWDXBVQZSA-N 1 3 308.466 2.524 20 0 DFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000271287885 296121984 /nfs/dbraw/zinc/12/19/84/296121984.db2.gz DLOLXAWMSMEJRA-QLFBSQMISA-N 1 3 309.429 2.761 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000261640782 203085332 /nfs/dbraw/zinc/08/53/32/203085332.db2.gz DBQTYNSWFNEIHO-OKZBNKHCSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)[C@H](N)c1ccccc1 ZINC000261648436 203087783 /nfs/dbraw/zinc/08/77/83/203087783.db2.gz FBTFPIIGFFUSEY-WBVHZDCISA-N 1 3 317.477 2.703 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC000338420646 284110846 /nfs/dbraw/zinc/11/08/46/284110846.db2.gz BAECLWFOYJWYMU-INIZCTEOSA-N 1 3 323.912 2.888 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000261713344 203099247 /nfs/dbraw/zinc/09/92/47/203099247.db2.gz LGSKEMJQGFQKIH-AEFFLSMTSA-N 1 3 317.477 2.575 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)c1ccsc1 ZINC000261884778 203144043 /nfs/dbraw/zinc/14/40/43/203144043.db2.gz UXKVMCYWEQHEIV-HOCLYGCPSA-N 1 3 323.506 2.637 20 0 DFADHO CCC[C@](C)(N)C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000261969698 203163488 /nfs/dbraw/zinc/16/34/88/203163488.db2.gz PWMYPBGHPCGBTJ-AEFFLSMTSA-N 1 3 305.466 2.703 20 0 DFADHO CCC[C@H](N)C(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000262623418 203355489 /nfs/dbraw/zinc/35/54/89/203355489.db2.gz ACSOXMDMPPCYFV-HNNXBMFYSA-N 1 3 311.495 2.546 20 0 DFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000274914489 212030425 /nfs/dbraw/zinc/03/04/25/212030425.db2.gz NYTRVFCUDYDCRU-GJZGRUSLSA-N 1 3 324.900 2.659 20 0 DFADHO C[NH2+][C@@H]1CCN(c2cc(C)nc3ccc(OC(F)F)cc32)C1 ZINC000420175772 296160673 /nfs/dbraw/zinc/16/06/73/296160673.db2.gz YRYNPANZODHIMZ-LLVKDONJSA-N 1 3 307.344 2.943 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnn(C(C)C)c2)[C@@H](C)C1 ZINC000341007979 284227944 /nfs/dbraw/zinc/22/79/44/284227944.db2.gz JSECZKNANLVNPL-WMZOPIPTSA-N 1 3 322.497 2.691 20 0 DFADHO CCOc1cc2nccc(NC[C@H]([NH3+])C3CC3)c2cc1OCC ZINC000420217546 296163095 /nfs/dbraw/zinc/16/30/95/296163095.db2.gz JOFGPIIIGGELIP-AWEZNQCLSA-N 1 3 315.417 2.603 20 0 DFADHO CCCc1ccc2nccc(N3CC[C@H](N4CC[NH2+]CC4)C3)c2c1 ZINC000420248360 296165628 /nfs/dbraw/zinc/16/56/28/296165628.db2.gz IBXQBGQEVZZRLW-KRWDZBQOSA-N 1 3 324.472 2.671 20 0 DFADHO CCOc1cc2nccc(N[C@@H](C)[C@@H](C)[NH3+])c2cc1OCC ZINC000420274135 296168230 /nfs/dbraw/zinc/16/82/30/296168230.db2.gz YERSRILXEJKMTM-NEPJUHHUSA-N 1 3 303.406 2.602 20 0 DFADHO C(CN1CCC(C[NH+]2CCCCCC2)CC1)OC[C@H]1CCCO1 ZINC000607356833 399160831 /nfs/dbraw/zinc/16/08/31/399160831.db2.gz AFPQBFZYTWMKSI-LJQANCHMSA-N 1 3 324.509 2.770 20 0 DFADHO Cc1cc(C)cc(NC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000420304313 296172076 /nfs/dbraw/zinc/17/20/76/296172076.db2.gz IOSJNSKZYYLGNG-INIZCTEOSA-N 1 3 315.461 2.706 20 0 DFADHO CCC[C@]1(C)CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420301609 296171786 /nfs/dbraw/zinc/17/17/86/296171786.db2.gz LQIRWERQRWQSCX-GBESFXJTSA-N 1 3 304.478 2.820 20 0 DFADHO CN(CCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000420308528 296172826 /nfs/dbraw/zinc/17/28/26/296172826.db2.gz KIPKRMSGJQWNBE-OAHLLOKOSA-N 1 3 309.841 2.743 20 0 DFADHO CCOC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000420314820 296173620 /nfs/dbraw/zinc/17/36/20/296173620.db2.gz QVTVSEBKBOHBMK-ZWKOTPCHSA-N 1 3 318.461 2.612 20 0 DFADHO CCOC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000420314820 296173623 /nfs/dbraw/zinc/17/36/23/296173623.db2.gz QVTVSEBKBOHBMK-ZWKOTPCHSA-N 1 3 318.461 2.612 20 0 DFADHO C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000420322121 296175003 /nfs/dbraw/zinc/17/50/03/296175003.db2.gz RZXZVPJUMKMTJS-ZCNNSNEGSA-N 1 3 310.441 2.537 20 0 DFADHO C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000420322121 296175005 /nfs/dbraw/zinc/17/50/05/296175005.db2.gz RZXZVPJUMKMTJS-ZCNNSNEGSA-N 1 3 310.441 2.537 20 0 DFADHO CC(C)C1CCC(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000420321640 296174869 /nfs/dbraw/zinc/17/48/69/296174869.db2.gz RIFSVIATPRULOI-VIQWUECVSA-N 1 3 307.526 2.818 20 0 DFADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420335086 296176851 /nfs/dbraw/zinc/17/68/51/296176851.db2.gz JWMRVHWRVWRSPD-YJBOKZPZSA-N 1 3 321.509 2.630 20 0 DFADHO COc1cccc([C@H](C)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000420342351 296177834 /nfs/dbraw/zinc/17/78/34/296177834.db2.gz VWAYOYQWHXJTLC-VHSSKADRSA-N 1 3 304.434 2.584 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)N(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274888847 212012333 /nfs/dbraw/zinc/01/23/33/212012333.db2.gz JAMFBFSMAYBCDZ-SJLPKXTDSA-N 1 3 303.494 2.827 20 0 DFADHO CC(=O)c1ccccc1OCCN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339455 296177569 /nfs/dbraw/zinc/17/75/69/296177569.db2.gz LSKSMVVRMDVRBK-IRXDYDNUSA-N 1 3 316.445 2.590 20 0 DFADHO CSc1ccccc1NC(=O)CCN[C@@H]1CC[NH2+]CC1(C)C ZINC000420364599 296180444 /nfs/dbraw/zinc/18/04/44/296180444.db2.gz PIBMGYXPFAGUHX-OAHLLOKOSA-N 1 3 321.490 2.715 20 0 DFADHO CSc1ccccc1NC(=O)CC[NH2+][C@@H]1CCNCC1(C)C ZINC000420364599 296180446 /nfs/dbraw/zinc/18/04/46/296180446.db2.gz PIBMGYXPFAGUHX-OAHLLOKOSA-N 1 3 321.490 2.715 20 0 DFADHO C[C@@H](c1cccc(F)c1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420369041 296181419 /nfs/dbraw/zinc/18/14/19/296181419.db2.gz XJQYNAFYKFXMTB-IRXDYDNUSA-N 1 3 319.468 2.894 20 0 DFADHO CCN(CCc1nccs1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420365931 296180782 /nfs/dbraw/zinc/18/07/82/296180782.db2.gz TVIBSRLNUYSHJG-HNNXBMFYSA-N 1 3 319.474 2.759 20 0 DFADHO CC[N@H+](CCc1nccs1)C[C@H](CN)c1ccc(OC)cc1 ZINC000420365931 296180783 /nfs/dbraw/zinc/18/07/83/296180783.db2.gz TVIBSRLNUYSHJG-HNNXBMFYSA-N 1 3 319.474 2.759 20 0 DFADHO CC[N@@H+](CCc1nccs1)C[C@H](CN)c1ccc(OC)cc1 ZINC000420365931 296180784 /nfs/dbraw/zinc/18/07/84/296180784.db2.gz TVIBSRLNUYSHJG-HNNXBMFYSA-N 1 3 319.474 2.759 20 0 DFADHO CCN(CCc1nccs1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420365935 296180791 /nfs/dbraw/zinc/18/07/91/296180791.db2.gz TVIBSRLNUYSHJG-OAHLLOKOSA-N 1 3 319.474 2.759 20 0 DFADHO CC[N@H+](CCc1nccs1)C[C@@H](CN)c1ccc(OC)cc1 ZINC000420365935 296180793 /nfs/dbraw/zinc/18/07/93/296180793.db2.gz TVIBSRLNUYSHJG-OAHLLOKOSA-N 1 3 319.474 2.759 20 0 DFADHO CC[N@@H+](CCc1nccs1)C[C@@H](CN)c1ccc(OC)cc1 ZINC000420365935 296180794 /nfs/dbraw/zinc/18/07/94/296180794.db2.gz TVIBSRLNUYSHJG-OAHLLOKOSA-N 1 3 319.474 2.759 20 0 DFADHO COc1cccc([C@H](C)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420374992 296182177 /nfs/dbraw/zinc/18/21/77/296182177.db2.gz IFMCCRJPGYYYFE-GDIGMMSISA-N 1 3 318.461 2.975 20 0 DFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000282645011 217148257 /nfs/dbraw/zinc/14/82/57/217148257.db2.gz LKNSEJWIGUNCEF-MRXNPFEDSA-N 1 3 324.472 2.969 20 0 DFADHO Cc1ccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000282645011 217148259 /nfs/dbraw/zinc/14/82/59/217148259.db2.gz LKNSEJWIGUNCEF-MRXNPFEDSA-N 1 3 324.472 2.969 20 0 DFADHO Cc1ccc(CNC[C@H]2CC[N@H+](C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000282645011 217148261 /nfs/dbraw/zinc/14/82/61/217148261.db2.gz LKNSEJWIGUNCEF-MRXNPFEDSA-N 1 3 324.472 2.969 20 0 DFADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCCCC(F)(F)F)CC2)C1 ZINC000420384791 296184181 /nfs/dbraw/zinc/18/41/81/296184181.db2.gz GULUYSGUCJOJEH-KBPBESRZSA-N 1 3 308.388 2.937 20 0 DFADHO CSc1ccccc1NC(=O)CCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420395606 296185681 /nfs/dbraw/zinc/18/56/81/296185681.db2.gz DODIFRURUGGBAR-KBPBESRZSA-N 1 3 321.490 2.654 20 0 DFADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCSc3ccccc3)CC2)C1 ZINC000420396853 296185808 /nfs/dbraw/zinc/18/58/08/296185808.db2.gz WMYSSPUEHBQLBR-WMZOPIPTSA-N 1 3 320.502 2.997 20 0 DFADHO Cc1cccc([C@@H](C)[NH2+]C[C@H](O)[C@@H](N)Cc2ccccc2)c1C ZINC000420395213 296185603 /nfs/dbraw/zinc/18/56/03/296185603.db2.gz DDPMTQVQWSSFKA-UXPWSPDFSA-N 1 3 312.457 2.885 20 0 DFADHO CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H](C)C(C)C ZINC000249357248 284398417 /nfs/dbraw/zinc/39/84/17/284398417.db2.gz RJYKGRBRXNDAJI-AEFFLSMTSA-N 1 3 319.493 2.772 20 0 DFADHO CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H](C)C(C)C ZINC000249357248 284398420 /nfs/dbraw/zinc/39/84/20/284398420.db2.gz RJYKGRBRXNDAJI-AEFFLSMTSA-N 1 3 319.493 2.772 20 0 DFADHO COCc1cccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000608057160 399228918 /nfs/dbraw/zinc/22/89/18/399228918.db2.gz SZOMUEIZLAPMLE-IBGZPJMESA-N 1 3 318.461 2.566 20 0 DFADHO O[C@H]1C[C@@H](CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000420945215 296216229 /nfs/dbraw/zinc/21/62/29/296216229.db2.gz YQKNZYMJJLGZTK-YSTOQKLRSA-N 1 3 314.473 2.744 20 0 DFADHO O[C@H]1C[C@@H](CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000420945215 296216231 /nfs/dbraw/zinc/21/62/31/296216231.db2.gz YQKNZYMJJLGZTK-YSTOQKLRSA-N 1 3 314.473 2.744 20 0 DFADHO CCN1CCC([N@@H+]2CCCN([C@H](C)c3ccccn3)CC2)CC1 ZINC000420977389 296220129 /nfs/dbraw/zinc/22/01/29/296220129.db2.gz HYBHSGYAGJVZIV-QGZVFWFLSA-N 1 3 316.493 2.635 20 0 DFADHO CCN1CCC([N@H+]2CCCN([C@H](C)c3ccccn3)CC2)CC1 ZINC000420977389 296220130 /nfs/dbraw/zinc/22/01/30/296220130.db2.gz HYBHSGYAGJVZIV-QGZVFWFLSA-N 1 3 316.493 2.635 20 0 DFADHO CC[NH+]1CCC(N2CCCN([C@H](C)c3ccccn3)CC2)CC1 ZINC000420977389 296220131 /nfs/dbraw/zinc/22/01/31/296220131.db2.gz HYBHSGYAGJVZIV-QGZVFWFLSA-N 1 3 316.493 2.635 20 0 DFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000618987820 399271872 /nfs/dbraw/zinc/27/18/72/399271872.db2.gz UZFPOYNPSAPZFH-FUHWJXTLSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000618987820 399271874 /nfs/dbraw/zinc/27/18/74/399271874.db2.gz UZFPOYNPSAPZFH-FUHWJXTLSA-N 1 3 321.509 2.630 20 0 DFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccsc3)CC2)CC1 ZINC000421379261 296250536 /nfs/dbraw/zinc/25/05/36/296250536.db2.gz UETFXOZDZOTWHP-UHFFFAOYSA-N 1 3 307.507 2.740 20 0 DFADHO CCN1CCC([N@H+]2CCCN(Cc3ccsc3)CC2)CC1 ZINC000421379261 296250537 /nfs/dbraw/zinc/25/05/37/296250537.db2.gz UETFXOZDZOTWHP-UHFFFAOYSA-N 1 3 307.507 2.740 20 0 DFADHO CC[NH+]1CCC(N2CCCN(Cc3ccsc3)CC2)CC1 ZINC000421379261 296250538 /nfs/dbraw/zinc/25/05/38/296250538.db2.gz UETFXOZDZOTWHP-UHFFFAOYSA-N 1 3 307.507 2.740 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000623057868 399320790 /nfs/dbraw/zinc/32/07/90/399320790.db2.gz JJRUTEHDSYOVII-QGZVFWFLSA-N 1 3 318.465 2.777 20 0 DFADHO C[NH2+]CCC1CCN(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000623059274 399320901 /nfs/dbraw/zinc/32/09/01/399320901.db2.gz VCIMZSCWWFWWEM-UHFFFAOYSA-N 1 3 318.465 2.602 20 0 DFADHO CN(C)CCN(C)CCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000623088050 399324936 /nfs/dbraw/zinc/32/49/36/399324936.db2.gz UEJPFFNVYZPJGG-IEBWSBKVSA-N 1 3 318.509 2.581 20 0 DFADHO c1cncc([C@@H]2OCC[C@H]2[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000623165416 399331823 /nfs/dbraw/zinc/33/18/23/399331823.db2.gz GSGAREPIJHGHCS-MOPGFXCFSA-N 1 3 324.428 2.565 20 0 DFADHO C[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000421848281 296277601 /nfs/dbraw/zinc/27/76/01/296277601.db2.gz AGETUVFPPWOQHG-INIZCTEOSA-N 1 3 320.477 2.973 20 0 DFADHO CN(C)[C@H](CC(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000422008850 296290128 /nfs/dbraw/zinc/29/01/28/296290128.db2.gz QAWCJNHZQBFLAE-DAWZGUTISA-N 1 3 317.477 2.668 20 0 DFADHO COc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1OC1CC1 ZINC000623336160 399365395 /nfs/dbraw/zinc/36/53/95/399365395.db2.gz ZCXBHZBWGMWKRK-UHFFFAOYSA-N 1 3 306.450 2.914 20 0 DFADHO COCCOc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623356783 399371389 /nfs/dbraw/zinc/37/13/89/399371389.db2.gz HAYNIDUGJZIDDL-MRXNPFEDSA-N 1 3 306.450 2.674 20 0 DFADHO C[NH+](C)CCc1ccc(NC(=O)[C@H](C2CC2)N2CCCC2)cc1 ZINC000273564000 210873488 /nfs/dbraw/zinc/87/34/88/210873488.db2.gz DUHXLIFRUWHELM-SFHVURJKSA-N 1 3 315.461 2.604 20 0 DFADHO COCCOc1cccc(CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422560476 296312785 /nfs/dbraw/zinc/31/27/85/296312785.db2.gz GWSBQAVZTIRJTN-VYDXJSESSA-N 1 3 306.450 2.517 20 0 DFADHO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000268850007 207017991 /nfs/dbraw/zinc/01/79/91/207017991.db2.gz WKJTXWCBTSPRKM-HOTGVXAUSA-N 1 3 316.449 2.563 20 0 DFADHO CN1CCN(CC[NH2+]Cc2ccc(Cl)s2)CC1(C)C ZINC000110758107 194357221 /nfs/dbraw/zinc/35/72/21/194357221.db2.gz BMQGKPYAOOUUPW-UHFFFAOYSA-N 1 3 301.887 2.517 20 0 DFADHO CC[C@H](CCO)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000268898178 207067230 /nfs/dbraw/zinc/06/72/30/207067230.db2.gz BBYQWMDZCYEUFM-JKSUJKDBSA-N 1 3 308.466 2.686 20 0 DFADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000422625041 296316424 /nfs/dbraw/zinc/31/64/24/296316424.db2.gz AKGJGJGMTNNTLF-HZSPNIEDSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1CN ZINC000422625041 296316426 /nfs/dbraw/zinc/31/64/26/296316426.db2.gz AKGJGJGMTNNTLF-HZSPNIEDSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1CN ZINC000422625041 296316428 /nfs/dbraw/zinc/31/64/28/296316428.db2.gz AKGJGJGMTNNTLF-HZSPNIEDSA-N 1 3 323.868 2.974 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)NCc1cccc(C[N@H+](C)CC)c1 ZINC000268899740 207069320 /nfs/dbraw/zinc/06/93/20/207069320.db2.gz MCPUUCSZIMEXTP-INIZCTEOSA-N 1 3 319.493 2.875 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000268899740 207069324 /nfs/dbraw/zinc/06/93/24/207069324.db2.gz MCPUUCSZIMEXTP-INIZCTEOSA-N 1 3 319.493 2.875 20 0 DFADHO CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268921910 207089390 /nfs/dbraw/zinc/08/93/90/207089390.db2.gz WVSYAZHJONBJFY-YJBOKZPZSA-N 1 3 308.466 2.829 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422706943 296319397 /nfs/dbraw/zinc/31/93/97/296319397.db2.gz VHWIGAOGXURHNZ-BXUZGUMPSA-N 1 3 315.230 2.848 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1cc(Br)ccc1F ZINC000422706943 296319399 /nfs/dbraw/zinc/31/93/99/296319399.db2.gz VHWIGAOGXURHNZ-BXUZGUMPSA-N 1 3 315.230 2.848 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422706945 296319495 /nfs/dbraw/zinc/31/94/95/296319495.db2.gz VHWIGAOGXURHNZ-RISCZKNCSA-N 1 3 315.230 2.848 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1cc(Br)ccc1F ZINC000422706945 296319496 /nfs/dbraw/zinc/31/94/96/296319496.db2.gz VHWIGAOGXURHNZ-RISCZKNCSA-N 1 3 315.230 2.848 20 0 DFADHO COc1ccc(CCN[C@@H]2CCCCC[C@H]2[NH3+])c(OC)c1OC ZINC000422709360 296319935 /nfs/dbraw/zinc/31/99/35/296319935.db2.gz YZLIYWKJUWDLLS-HUUCEWRRSA-N 1 3 322.449 2.505 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)N1CCc2sccc2C1 ZINC000422709121 296319943 /nfs/dbraw/zinc/31/99/43/296319943.db2.gz CUGLOVJQAQAQHI-YCPHGPKFSA-N 1 3 307.507 2.602 20 0 DFADHO C[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])N1CCc2sccc2C1 ZINC000422709121 296319944 /nfs/dbraw/zinc/31/99/44/296319944.db2.gz CUGLOVJQAQAQHI-YCPHGPKFSA-N 1 3 307.507 2.602 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC(=O)NC1CCCCC1 ZINC000422715496 296320656 /nfs/dbraw/zinc/32/06/56/296320656.db2.gz MIWFVOHQUGJBLV-WBVHZDCISA-N 1 3 309.498 2.726 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@H](C)C[NH+]1CCCCC1 ZINC000422717094 296320859 /nfs/dbraw/zinc/32/08/59/296320859.db2.gz VJOIERZLHZWAFG-LSDHHAIUSA-N 1 3 304.482 2.621 20 0 DFADHO CSc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1F ZINC000268964933 207129385 /nfs/dbraw/zinc/12/93/85/207129385.db2.gz GSWSJYVBNJOSCQ-LBPRGKRZSA-N 1 3 312.454 2.655 20 0 DFADHO Cc1ccc(C[C@@H](CO)N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000623545043 399413089 /nfs/dbraw/zinc/41/30/89/399413089.db2.gz YMHCTCPEYZTJDK-MSOLQXFVSA-N 1 3 304.478 2.669 20 0 DFADHO Cc1ccc(C[C@@H](CO)N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000623545043 399413090 /nfs/dbraw/zinc/41/30/90/399413090.db2.gz YMHCTCPEYZTJDK-MSOLQXFVSA-N 1 3 304.478 2.669 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000422721411 296321429 /nfs/dbraw/zinc/32/14/29/296321429.db2.gz VILGKSSGNZKBED-STQMWFEESA-N 1 3 301.390 2.747 20 0 DFADHO CN(C)C(=O)C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000422728003 296322554 /nfs/dbraw/zinc/32/25/54/296322554.db2.gz INXFHZSIWIUFQS-YESZJQIVSA-N 1 3 321.509 2.535 20 0 DFADHO CCc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)N(C)C)cc1 ZINC000422732795 296323332 /nfs/dbraw/zinc/32/33/32/296323332.db2.gz PIOJTJBBZBTAIF-MNEFBYGVSA-N 1 3 303.494 2.829 20 0 DFADHO COc1cccc([C@H](C[NH2+][C@@H]2CCCCC[C@@H]2N)N(C)C)c1 ZINC000422733761 296323388 /nfs/dbraw/zinc/32/33/88/296323388.db2.gz ROQHDBSFUISVQL-KSZLIROESA-N 1 3 305.466 2.548 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])N(C)C)c1 ZINC000422733761 296323389 /nfs/dbraw/zinc/32/33/89/296323389.db2.gz ROQHDBSFUISVQL-KSZLIROESA-N 1 3 305.466 2.548 20 0 DFADHO COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000623656807 399436511 /nfs/dbraw/zinc/43/65/11/399436511.db2.gz CGCQNHDIFSNSQV-AEFFLSMTSA-N 1 3 320.477 2.922 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623655641 399437145 /nfs/dbraw/zinc/43/71/45/399437145.db2.gz AZOAMXRMCGLOAM-CVEARBPZSA-N 1 3 303.450 2.725 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623655641 399437149 /nfs/dbraw/zinc/43/71/49/399437149.db2.gz AZOAMXRMCGLOAM-CVEARBPZSA-N 1 3 303.450 2.725 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655641 399437155 /nfs/dbraw/zinc/43/71/55/399437155.db2.gz AZOAMXRMCGLOAM-CVEARBPZSA-N 1 3 303.450 2.725 20 0 DFADHO Cn1cc(C[NH2+]C[C@@H]2CCCCN(C)C2)c(-c2ccccc2)n1 ZINC000623657692 399437961 /nfs/dbraw/zinc/43/79/61/399437961.db2.gz WRIJIQIPLITXFU-INIZCTEOSA-N 1 3 312.461 2.909 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cc(OC)ccc1OC ZINC000269097090 207237847 /nfs/dbraw/zinc/23/78/47/207237847.db2.gz SDQJBESLWCDXDD-HOCLYGCPSA-N 1 3 324.465 2.711 20 0 DFADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000063195097 184278043 /nfs/dbraw/zinc/27/80/43/184278043.db2.gz UKTMCXNVQXKGPP-SWLSCSKDSA-N 1 3 309.841 2.870 20 0 DFADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000063195097 184278044 /nfs/dbraw/zinc/27/80/44/184278044.db2.gz UKTMCXNVQXKGPP-SWLSCSKDSA-N 1 3 309.841 2.870 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H](C)c2cnccc2N)C1 ZINC000422741143 296324442 /nfs/dbraw/zinc/32/44/42/296324442.db2.gz OFTQZHCPXNWHIN-ZMSDIMECSA-N 1 3 310.445 2.980 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422740769 296324469 /nfs/dbraw/zinc/32/44/69/296324469.db2.gz NEAVPSSHOBPAGI-OGWHTMIXSA-N 1 3 301.478 2.942 20 0 DFADHO C[C@@H](NC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422738050 296324074 /nfs/dbraw/zinc/32/40/74/296324074.db2.gz YIQQYDVEAOENGA-NAZJXLNTSA-N 1 3 301.478 2.988 20 0 DFADHO c1cc2c(s1)CCN(CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422744869 296325214 /nfs/dbraw/zinc/32/52/14/296325214.db2.gz WRYKPXXAZVSNRH-ZACQAIPSSA-N 1 3 319.518 2.617 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422740766 296324608 /nfs/dbraw/zinc/32/46/08/296324608.db2.gz NEAVPSSHOBPAGI-ISARSNTHSA-N 1 3 301.478 2.942 20 0 DFADHO c1cn(-c2cccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)cn1 ZINC000422742394 296324616 /nfs/dbraw/zinc/32/46/16/296324616.db2.gz GFSCSTADGDJRTN-GBESFXJTSA-N 1 3 310.445 2.883 20 0 DFADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2cccc(Br)c2)CC1 ZINC000422743753 296324859 /nfs/dbraw/zinc/32/48/59/296324859.db2.gz JGSDDLDABFTFNL-UONOGXRCSA-N 1 3 309.251 2.950 20 0 DFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cccc(-n2ccnc2)c1 ZINC000422747322 296325584 /nfs/dbraw/zinc/32/55/84/296325584.db2.gz PURSBJQIYBYLNM-OXQOHEQNSA-N 1 3 320.440 2.920 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000269234194 207359341 /nfs/dbraw/zinc/35/93/41/207359341.db2.gz FKWKGESJOJXXEX-SJLPKXTDSA-N 1 3 319.493 2.951 20 0 DFADHO C[C@H](c1ccccc1)N1CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000422745765 296325342 /nfs/dbraw/zinc/32/53/42/296325342.db2.gz MUXNZJWGTGYJRS-SUMDDJOVSA-N 1 3 301.478 2.929 20 0 DFADHO c1ccc(OCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422756094 296327238 /nfs/dbraw/zinc/32/72/38/296327238.db2.gz LGIQTJZULBFODE-UYAOXDASSA-N 1 3 324.424 2.911 20 0 DFADHO O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000422758692 296328144 /nfs/dbraw/zinc/32/81/44/296328144.db2.gz OFGMXSOYUHYSRT-FGTMMUONSA-N 1 3 321.509 2.680 20 0 DFADHO O=C1CCCCCN1CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422758692 296328146 /nfs/dbraw/zinc/32/81/46/296328146.db2.gz OFGMXSOYUHYSRT-FGTMMUONSA-N 1 3 321.509 2.680 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000422758714 296328158 /nfs/dbraw/zinc/32/81/58/296328158.db2.gz OFMBHUBWGKWIEW-AUUYWEPGSA-N 1 3 312.461 2.802 20 0 DFADHO Cc1ccc([C@H](C)CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422762259 296328768 /nfs/dbraw/zinc/32/87/68/296328768.db2.gz MKJOJEYAQNAWLJ-XGXHKWSGSA-N 1 3 302.462 2.845 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCCCO1 ZINC000623866363 399482972 /nfs/dbraw/zinc/48/29/72/399482972.db2.gz SKQORIDIGRNRCS-QAPCUYQASA-N 1 3 306.450 2.674 20 0 DFADHO Cc1cccc(N2CCC([NH2+][C@H]3CCCCC[C@@H]3N)CC2)n1 ZINC000422765712 296329822 /nfs/dbraw/zinc/32/98/22/296329822.db2.gz RCGGGWAVXRJVHQ-IRXDYDNUSA-N 1 3 302.466 2.608 20 0 DFADHO COc1ccc(OC)c(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422768886 296330103 /nfs/dbraw/zinc/33/01/03/296330103.db2.gz VBDHPQOKTOWRMK-KURKYZTESA-N 1 3 318.461 2.757 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@@H]3CC[NH2+]CC[C@@H]3C)C2)c1 ZINC000422770062 296330282 /nfs/dbraw/zinc/33/02/82/296330282.db2.gz WHVAJLFCZIWDRY-TXPKVOOTSA-N 1 3 317.477 2.642 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000422772420 296330611 /nfs/dbraw/zinc/33/06/11/296330611.db2.gz YIMYQWVJBGLGSC-VQIMIIECSA-N 1 3 324.472 2.774 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422773604 296330725 /nfs/dbraw/zinc/33/07/25/296330725.db2.gz YYACKFUIQQOUPE-NXWXRZEISA-N 1 3 313.489 2.948 20 0 DFADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000623879536 399485896 /nfs/dbraw/zinc/48/58/96/399485896.db2.gz JLKBQFOAEBMZNN-RDJZCZTQSA-N 1 3 306.450 2.674 20 0 DFADHO Clc1ccccc1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422775677 296331206 /nfs/dbraw/zinc/33/12/06/296331206.db2.gz BCWCBAUWOMVAAT-BHYGNILZSA-N 1 3 308.853 2.629 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422778205 296331631 /nfs/dbraw/zinc/33/16/31/296331631.db2.gz ALHYJSJXGOJKHG-WCXIOVBPSA-N 1 3 318.461 2.973 20 0 DFADHO Cc1cc(C)c(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422777389 296331644 /nfs/dbraw/zinc/33/16/44/296331644.db2.gz FMTMAHRCVLHBTB-CEXWTWQISA-N 1 3 302.462 2.859 20 0 DFADHO CCO[C@@H]1C[C@H](N[C@H](Cc2ccccc2)[C@@H](C)[NH3+])C12CCC2 ZINC000422787270 296332618 /nfs/dbraw/zinc/33/26/18/296332618.db2.gz UKZQGDFIXIEXPT-NRSFXHEJSA-N 1 3 302.462 2.882 20 0 DFADHO CC[C@H](NCC1(N(C)C)Cc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422786368 296332681 /nfs/dbraw/zinc/33/26/81/296332681.db2.gz QHDPXVYCJGZAOY-OALUTQOASA-N 1 3 315.505 2.596 20 0 DFADHO COc1ccc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422791514 296333651 /nfs/dbraw/zinc/33/36/51/296333651.db2.gz QGJGMLLCQZHODT-IPMKNSEASA-N 1 3 318.461 2.974 20 0 DFADHO CCN(CC)[C@H](CN[C@@H](C)C[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000422793499 296334031 /nfs/dbraw/zinc/33/40/31/296334031.db2.gz FPROJBNYBBIKQR-RLFYNMQTSA-N 1 3 307.482 2.794 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(OC)c1 ZINC000422795638 296334598 /nfs/dbraw/zinc/33/45/98/296334598.db2.gz IALZLNQZHXYBBP-KFKAGJAMSA-N 1 3 319.493 2.666 20 0 DFADHO N[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422794210 296334108 /nfs/dbraw/zinc/33/41/08/296334108.db2.gz YLHLCEMWNWWYOH-IRXDYDNUSA-N 1 3 307.869 2.774 20 0 DFADHO [NH3+][C@H]1CCC[C@@H]1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422794210 296334109 /nfs/dbraw/zinc/33/41/09/296334109.db2.gz YLHLCEMWNWWYOH-IRXDYDNUSA-N 1 3 307.869 2.774 20 0 DFADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422798418 296334994 /nfs/dbraw/zinc/33/49/94/296334994.db2.gz QZXGIAZIIGYQPF-DOTOQJQBSA-N 1 3 303.450 2.888 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000269257614 207397533 /nfs/dbraw/zinc/39/75/33/207397533.db2.gz TUXFLJLMHBHLHQ-GOSISDBHSA-N 1 3 317.477 2.518 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422803031 296335992 /nfs/dbraw/zinc/33/59/92/296335992.db2.gz CHKGXAIMZKEERF-RYQLBKOJSA-N 1 3 302.462 2.840 20 0 DFADHO CO[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422806738 296336608 /nfs/dbraw/zinc/33/66/08/296336608.db2.gz LDPJBVDHLZKCDX-NXHRZFHOSA-N 1 3 304.434 2.503 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000422813194 296337864 /nfs/dbraw/zinc/33/78/64/296337864.db2.gz XRUJQFHZDJZWEV-RTBURBONSA-N 1 3 301.478 2.684 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000422818841 296338940 /nfs/dbraw/zinc/33/89/40/296338940.db2.gz LQROWGMJTVSDAJ-VJTDZRGJSA-N 1 3 308.388 2.697 20 0 DFADHO c1cn(Cc2cccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)cn1 ZINC000422824731 296339673 /nfs/dbraw/zinc/33/96/73/296339673.db2.gz HYVSVFVWKMAPHU-VAMGGRTRSA-N 1 3 324.472 2.942 20 0 DFADHO CCN(CC)[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422828730 296340579 /nfs/dbraw/zinc/34/05/79/296340579.db2.gz GPKJUCMUMGBEJP-UHOSZYNNSA-N 1 3 303.494 2.670 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000422833771 296341717 /nfs/dbraw/zinc/34/17/17/296341717.db2.gz WNZQQVZVJJYQJG-QRVBRYPASA-N 1 3 301.478 2.849 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422844560 296343363 /nfs/dbraw/zinc/34/33/63/296343363.db2.gz MEZLTBWFJXTNST-KGLIPLIRSA-N 1 3 312.417 2.549 20 0 DFADHO COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000422845263 296343635 /nfs/dbraw/zinc/34/36/35/296343635.db2.gz BINCSMNCIKANCY-ZACQAIPSSA-N 1 3 317.477 2.629 20 0 DFADHO COc1ccc(-c2n[nH]cc2CN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000347018951 285006450 /nfs/dbraw/zinc/00/64/50/285006450.db2.gz LMWNMKCJVZSRFG-CYBMUJFWSA-N 1 3 314.433 2.645 20 0 DFADHO O=C(CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCCCCC1 ZINC000422844083 296343288 /nfs/dbraw/zinc/34/32/88/296343288.db2.gz KTSCAZVWUWIDCB-OKZBNKHCSA-N 1 3 321.509 2.680 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccnc(OCC(F)(F)F)c1 ZINC000422854020 296345301 /nfs/dbraw/zinc/34/53/01/296345301.db2.gz CITRNHJRNBHXJV-CHWSQXEVSA-N 1 3 317.355 2.630 20 0 DFADHO Cc1cc(C)n(-c2ccc(CCN[C@@H]3CCC[NH2+]CC3)cc2)n1 ZINC000422856545 296345549 /nfs/dbraw/zinc/34/55/49/296345549.db2.gz GGVSXUWXZOFMDH-GOSISDBHSA-N 1 3 312.461 2.763 20 0 DFADHO Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCCNCC3)cc2)n1 ZINC000422856545 296345552 /nfs/dbraw/zinc/34/55/52/296345552.db2.gz GGVSXUWXZOFMDH-GOSISDBHSA-N 1 3 312.461 2.763 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422852221 296345024 /nfs/dbraw/zinc/34/50/24/296345024.db2.gz XRXBBPOAQBTKIR-AEFFLSMTSA-N 1 3 302.462 2.713 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@H]2CCNCC[C@@H]2C)cc1OC ZINC000422864774 296346893 /nfs/dbraw/zinc/34/68/93/296346893.db2.gz VZHCHQHSXUYIBN-HOCLYGCPSA-N 1 3 320.477 2.959 20 0 DFADHO OCC[NH2+]C1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000631863201 399511542 /nfs/dbraw/zinc/51/15/42/399511542.db2.gz XYOXBLYUIIBUBV-SJLPKXTDSA-N 1 3 302.462 2.617 20 0 DFADHO C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N)N1CCC[C@@H](C)C1 ZINC000422870837 296347790 /nfs/dbraw/zinc/34/77/90/296347790.db2.gz ZHUYIRWASDKCLQ-VXNCWWDNSA-N 1 3 303.494 2.655 20 0 DFADHO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]C2CCNCC2)C1 ZINC000422883889 296350041 /nfs/dbraw/zinc/35/00/41/296350041.db2.gz VWMMYVSLCQJOFB-CQSZACIVSA-N 1 3 307.869 2.816 20 0 DFADHO Cc1ccccc1C1(CN[C@@H]2C[NH2+]CC[C@H]2C)CCOCC1 ZINC000422883641 296350194 /nfs/dbraw/zinc/35/01/94/296350194.db2.gz VIHPRDIBUKXLCB-SJLPKXTDSA-N 1 3 302.462 2.631 20 0 DFADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnccc1N ZINC000422887714 296350983 /nfs/dbraw/zinc/35/09/83/296350983.db2.gz YZVXWQDCEBHGHZ-OWCLPIDISA-N 1 3 304.482 2.903 20 0 DFADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnccc1N ZINC000422887714 296350985 /nfs/dbraw/zinc/35/09/85/296350985.db2.gz YZVXWQDCEBHGHZ-OWCLPIDISA-N 1 3 304.482 2.903 20 0 DFADHO Cc1nc(C)c(CCN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])s1 ZINC000422885594 296350659 /nfs/dbraw/zinc/35/06/59/296350659.db2.gz HCTOTYNRRIBMEI-LRDDRELGSA-N 1 3 303.475 2.851 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1nc2cc(Cl)ccc2s1 ZINC000422900588 296353197 /nfs/dbraw/zinc/35/31/97/296353197.db2.gz JRZOEGWLSGCRSW-LLVKDONJSA-N 1 3 313.854 2.793 20 0 DFADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422902728 296353451 /nfs/dbraw/zinc/35/34/51/296353451.db2.gz VEHVZEKNTQKYSW-IRXDYDNUSA-N 1 3 302.466 2.822 20 0 DFADHO CC1CCN(c2ccc(CN[C@H]3CCCC[C@@H]3C[NH3+])cn2)CC1 ZINC000422892559 296351824 /nfs/dbraw/zinc/35/18/24/296351824.db2.gz NIHPDACBXHLGSF-MSOLQXFVSA-N 1 3 316.493 2.925 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903265 296353692 /nfs/dbraw/zinc/35/36/92/296353692.db2.gz FHHWGINRXFXTSJ-DEYYWGMASA-N 1 3 323.431 2.646 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903265 296353694 /nfs/dbraw/zinc/35/36/94/296353694.db2.gz FHHWGINRXFXTSJ-DEYYWGMASA-N 1 3 323.431 2.646 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000422906545 296354136 /nfs/dbraw/zinc/35/41/36/296354136.db2.gz KFEIXVUJDROQTH-BZPMIXESSA-N 1 3 311.857 2.643 20 0 DFADHO FC(F)(F)CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422917441 296355347 /nfs/dbraw/zinc/35/53/47/296355347.db2.gz DWVAUHTYWMOYPF-GXTWGEPZSA-N 1 3 300.324 2.784 20 0 DFADHO Clc1ccc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000422927989 296356548 /nfs/dbraw/zinc/35/65/48/296356548.db2.gz IESVCUCZBVGQRC-RBSFLKMASA-N 1 3 309.841 2.624 20 0 DFADHO Clc1ccc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000422927991 296356559 /nfs/dbraw/zinc/35/65/59/296356559.db2.gz IESVCUCZBVGQRC-ZNMIVQPWSA-N 1 3 309.841 2.624 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCCOc1cccc(C(F)(F)F)c1 ZINC000422929935 296356746 /nfs/dbraw/zinc/35/67/46/296356746.db2.gz ALFGFFMZQKVFGF-BXUZGUMPSA-N 1 3 302.340 2.801 20 0 DFADHO CC(C)[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000422935688 296357427 /nfs/dbraw/zinc/35/74/27/296357427.db2.gz HKQKJQLOFFYEKG-HQRMLTQVSA-N 1 3 315.505 2.657 20 0 DFADHO Brc1ccc(OCCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000422942203 296358660 /nfs/dbraw/zinc/35/86/60/296358660.db2.gz JAXXVTCWMHMBQM-CYBMUJFWSA-N 1 3 313.239 2.560 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422947904 296359464 /nfs/dbraw/zinc/35/94/64/296359464.db2.gz QTMFQWVWEVTSMI-WFASDCNBSA-N 1 3 309.841 2.776 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCCOc1ccc(C(F)(F)F)cc1 ZINC000422948444 296359718 /nfs/dbraw/zinc/35/97/18/296359718.db2.gz RIFXUAKHZNIHPB-BXUZGUMPSA-N 1 3 302.340 2.801 20 0 DFADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000347503769 285061960 /nfs/dbraw/zinc/06/19/60/285061960.db2.gz XEIMWYBEPIKTRB-LJQANCHMSA-N 1 3 323.440 2.843 20 0 DFADHO C[C@H](NCCCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000422951300 296360050 /nfs/dbraw/zinc/36/00/50/296360050.db2.gz XXUUGFBYQFXFQX-QWHCGFSZSA-N 1 3 309.841 2.646 20 0 DFADHO FC(F)(F)c1cccc(OCCN[C@H]2CCC[NH2+]CC2)c1 ZINC000422951550 296360101 /nfs/dbraw/zinc/36/01/01/296360101.db2.gz YZJITXYAZYXPLL-ZDUSSCGKSA-N 1 3 302.340 2.816 20 0 DFADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000422963711 296361655 /nfs/dbraw/zinc/36/16/55/296361655.db2.gz GOLZBFHCEDNJQD-SUMDDJOVSA-N 1 3 316.493 2.714 20 0 DFADHO c1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)nc1 ZINC000422968858 296362715 /nfs/dbraw/zinc/36/27/15/296362715.db2.gz SHBWPQRHYUGLEM-BSDSXHPESA-N 1 3 314.477 2.561 20 0 DFADHO CC1CCC(C[N@@H+]2CCN(C3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000347542525 285075097 /nfs/dbraw/zinc/07/50/97/285075097.db2.gz PHOZFODUDONVFL-ADKAHSJRSA-N 1 3 307.526 2.913 20 0 DFADHO CC1CCC(C[N@H+]2CCN(C3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000347542525 285075098 /nfs/dbraw/zinc/07/50/98/285075098.db2.gz PHOZFODUDONVFL-ADKAHSJRSA-N 1 3 307.526 2.913 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422991306 296364462 /nfs/dbraw/zinc/36/44/62/296364462.db2.gz AVLLKGBUYTUFIE-OLZOCXBDSA-N 1 3 317.355 2.729 20 0 DFADHO CC(C)(C)C[C@H](CO)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422997383 296365128 /nfs/dbraw/zinc/36/51/28/296365128.db2.gz OAHBSATXWPLFHF-ALKREAHSSA-N 1 3 318.461 2.629 20 0 DFADHO COCCCOc1cccc(C[NH2+][C@H]2CCCCC[C@H]2N)c1 ZINC000423000693 296365992 /nfs/dbraw/zinc/36/59/92/296365992.db2.gz HEEGOWNBAPYADQ-MSOLQXFVSA-N 1 3 306.450 2.852 20 0 DFADHO COCCCOc1cccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423001031 296366063 /nfs/dbraw/zinc/36/60/63/296366063.db2.gz HJZDRPMDUTVRJR-FUHWJXTLSA-N 1 3 306.450 2.709 20 0 DFADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005115 296366177 /nfs/dbraw/zinc/36/61/77/296366177.db2.gz QTUDHVUEWWFZDY-KGLIPLIRSA-N 1 3 302.340 2.735 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000422995215 296365322 /nfs/dbraw/zinc/36/53/22/296365322.db2.gz XJEYXESMBGSHIK-JOQOYGCGSA-N 1 3 305.466 2.831 20 0 DFADHO COc1cccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423009628 296367062 /nfs/dbraw/zinc/36/70/62/296367062.db2.gz WBDNGVMRJNAWQS-BRWVUGGUSA-N 1 3 303.450 2.533 20 0 DFADHO Cc1cn2c(n1)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423005736 296366520 /nfs/dbraw/zinc/36/65/20/296366520.db2.gz NDCBBALCTHGEJZ-VVLHAWIVSA-N 1 3 302.466 2.579 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000423006614 296366803 /nfs/dbraw/zinc/36/68/03/296366803.db2.gz WBBVGHIGZOXXDN-WMLDXEAASA-N 1 3 304.482 2.620 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000423006614 296366804 /nfs/dbraw/zinc/36/68/04/296366804.db2.gz WBBVGHIGZOXXDN-WMLDXEAASA-N 1 3 304.482 2.620 20 0 DFADHO CC1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000423017868 296368115 /nfs/dbraw/zinc/36/81/15/296368115.db2.gz PRJMLAFKRYUCHX-CEXWTWQISA-N 1 3 314.473 2.538 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000423012818 296367522 /nfs/dbraw/zinc/36/75/22/296367522.db2.gz LNWHJWRAQAXNCZ-BEVDRBHNSA-N 1 3 324.472 2.945 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]2CN)cc1OC ZINC000423020923 296369019 /nfs/dbraw/zinc/36/90/19/296369019.db2.gz DEPBQCMJKDGRPK-CWRNSKLLSA-N 1 3 306.450 2.599 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@H]2CN)cc1OC ZINC000423020922 296368666 /nfs/dbraw/zinc/36/86/66/296368666.db2.gz DEPBQCMJKDGRPK-BPUTZDHNSA-N 1 3 306.450 2.599 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423021463 296368938 /nfs/dbraw/zinc/36/89/38/296368938.db2.gz FEONPFSPEKYNBM-OZVIIMIRSA-N 1 3 311.832 2.775 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423021463 296368939 /nfs/dbraw/zinc/36/89/39/296368939.db2.gz FEONPFSPEKYNBM-OZVIIMIRSA-N 1 3 311.832 2.775 20 0 DFADHO CCC(CC)(CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(=O)OC ZINC000423039325 296370648 /nfs/dbraw/zinc/37/06/48/296370648.db2.gz QIHZVGKHOUCPEY-OWCLPIDISA-N 1 3 310.482 2.866 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccccc1N1CCCCC1 ZINC000423041996 296371049 /nfs/dbraw/zinc/37/10/49/296371049.db2.gz KCLKCYKIIULZMP-SZMVWBNQSA-N 1 3 317.477 2.519 20 0 DFADHO Cn1cc([C@@H](NC2CCC(C[NH3+])CC2)c2ccc(F)cc2)cn1 ZINC000423054531 296372788 /nfs/dbraw/zinc/37/27/88/296372788.db2.gz USCXEFMAKVMPRT-SYGMWZTRSA-N 1 3 316.424 2.756 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000423058763 296373333 /nfs/dbraw/zinc/37/33/33/296373333.db2.gz DALKEBVMNTXRKV-RFQIPJPRSA-N 1 3 308.388 2.577 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000423061127 296373491 /nfs/dbraw/zinc/37/34/91/296373491.db2.gz QFMXPGYROXZLHY-GBBGEASQSA-N 1 3 302.462 2.740 20 0 DFADHO Cc1ccccc1C[C@H](CO)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423058459 296373001 /nfs/dbraw/zinc/37/30/01/296373001.db2.gz JNDYMDYURJRFJI-IYWMVGAKSA-N 1 3 316.489 2.799 20 0 DFADHO CCN(CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CCC(F)(F)F ZINC000423067879 296374415 /nfs/dbraw/zinc/37/44/15/296374415.db2.gz ALTMGCQLVLYVLP-KFWWJZLASA-N 1 3 321.431 2.771 20 0 DFADHO C[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1Cc1ccccc1 ZINC000423066407 296374157 /nfs/dbraw/zinc/37/41/57/296374157.db2.gz WVTQWZIAIDECQV-XNMUZJSGSA-N 1 3 313.489 2.914 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000423064764 296374168 /nfs/dbraw/zinc/37/41/68/296374168.db2.gz ZRVHTCSXYHDUIQ-KDOFPFPSSA-N 1 3 321.896 2.676 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423080020 296375800 /nfs/dbraw/zinc/37/58/00/296375800.db2.gz ZDOFTFQUQLJUJT-WNHJNPCNSA-N 1 3 320.452 2.616 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423080020 296375801 /nfs/dbraw/zinc/37/58/01/296375801.db2.gz ZDOFTFQUQLJUJT-WNHJNPCNSA-N 1 3 320.452 2.616 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000423082558 296376517 /nfs/dbraw/zinc/37/65/17/296376517.db2.gz DLBKSICJMHZKHB-DYVFJYSZSA-N 1 3 304.482 2.620 20 0 DFADHO Fc1ccccc1CCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423097343 296377755 /nfs/dbraw/zinc/37/77/55/296377755.db2.gz QTIQLSIUTCEIHF-BPQIPLTHSA-N 1 3 306.425 2.505 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]1NCCc1cccc(OCC(F)(F)F)c1 ZINC000423096609 296377793 /nfs/dbraw/zinc/37/77/93/296377793.db2.gz PPGFRSNWFSCMTL-ZIAGYGMSSA-N 1 3 302.340 2.640 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423104618 296378590 /nfs/dbraw/zinc/37/85/90/296378590.db2.gz YGHIFXGHUUQSSO-UUAYOZFRSA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423104618 296378592 /nfs/dbraw/zinc/37/85/92/296378592.db2.gz YGHIFXGHUUQSSO-UUAYOZFRSA-N 1 3 308.853 2.928 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121453 399560771 /nfs/dbraw/zinc/56/07/71/399560771.db2.gz WUUGTLMBKWRPKT-GJZGRUSLSA-N 1 3 321.440 2.864 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121453 399560775 /nfs/dbraw/zinc/56/07/75/399560775.db2.gz WUUGTLMBKWRPKT-GJZGRUSLSA-N 1 3 321.440 2.864 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121453 399560779 /nfs/dbraw/zinc/56/07/79/399560779.db2.gz WUUGTLMBKWRPKT-GJZGRUSLSA-N 1 3 321.440 2.864 20 0 DFADHO Cc1noc(C2CCC([NH2+]C[C@@H]3CCCCN(C)C3)CC2)n1 ZINC000624124092 399562349 /nfs/dbraw/zinc/56/23/49/399562349.db2.gz XEBVNVKHSUNUSV-FHERZECASA-N 1 3 306.454 2.726 20 0 DFADHO CO[C@H]1CCCC[C@@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423117449 296380496 /nfs/dbraw/zinc/38/04/96/296380496.db2.gz VOILQYITEMMRJQ-NBMJBFSESA-N 1 3 316.445 2.790 20 0 DFADHO CC(C)Oc1ccc([C@@H](CN[C@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000423122540 296380952 /nfs/dbraw/zinc/38/09/52/296380952.db2.gz JUFGUJYIRLHEBJ-HDMKZQKVSA-N 1 3 307.482 2.792 20 0 DFADHO C=Cc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423125631 296381705 /nfs/dbraw/zinc/38/17/05/296381705.db2.gz APJYTXHXXFHCIV-CEXWTWQISA-N 1 3 300.446 2.619 20 0 DFADHO Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C2 ZINC000423133768 296382568 /nfs/dbraw/zinc/38/25/68/296382568.db2.gz CWBZVNYWKRNTLB-YOEHRIQHSA-N 1 3 311.429 2.811 20 0 DFADHO Fc1ccccc1N1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423132716 296382839 /nfs/dbraw/zinc/38/28/39/296382839.db2.gz CAEBKAPJNIGGHJ-JZWPEALZSA-N 1 3 303.425 2.525 20 0 DFADHO CSc1ccc([C@@H](CN[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000423143152 296384081 /nfs/dbraw/zinc/38/40/81/296384081.db2.gz CLZRXAPKQXKWGO-NVXWUHKLSA-N 1 3 307.507 2.743 20 0 DFADHO C[C@@]1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423139004 296383506 /nfs/dbraw/zinc/38/35/06/296383506.db2.gz UUSFCPAMEGEEDC-FSGKZVOOSA-N 1 3 314.473 2.927 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423142115 296383659 /nfs/dbraw/zinc/38/36/59/296383659.db2.gz UASNZPOQWPLOPB-VYDXJSESSA-N 1 3 305.441 2.630 20 0 DFADHO C[C@@H](NC[C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423141532 296383692 /nfs/dbraw/zinc/38/36/92/296383692.db2.gz QNDWSPFOMCIQQP-VYDXJSESSA-N 1 3 305.441 2.772 20 0 DFADHO CSc1ccc([C@H](CN[C@@H](C)[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000423147638 296385133 /nfs/dbraw/zinc/38/51/33/296385133.db2.gz SLWGFOFHFIALKI-QRTARXTBSA-N 1 3 307.507 2.599 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000423163574 296386999 /nfs/dbraw/zinc/38/69/99/296386999.db2.gz MVGKBPCCPHOYAH-YSTOQKLRSA-N 1 3 316.489 2.717 20 0 DFADHO Cc1ccc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000423160981 296386450 /nfs/dbraw/zinc/38/64/50/296386450.db2.gz IGBWUOKJOUIKDR-ICSRJNTNSA-N 1 3 323.440 2.778 20 0 DFADHO CC1(C)CCCN1CC[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000423169240 296387702 /nfs/dbraw/zinc/38/77/02/296387702.db2.gz VVIUBXAQFPMPKR-MSOLQXFVSA-N 1 3 301.478 2.944 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423172354 296387810 /nfs/dbraw/zinc/38/78/10/296387810.db2.gz SLOKGHGKPPHIHF-IREHDKGXSA-N 1 3 302.462 2.768 20 0 DFADHO CC(C)[C@H](NCCCN1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423180131 296389051 /nfs/dbraw/zinc/38/90/51/296389051.db2.gz IEGHFAJRGWOOHW-KRWDZBQOSA-N 1 3 311.420 2.547 20 0 DFADHO COCCC[C@@H](NCCC[NH3+])c1ccc(Br)cc1 ZINC000423178292 296388538 /nfs/dbraw/zinc/38/85/38/296388538.db2.gz BQOFYPOIWVYELG-CQSZACIVSA-N 1 3 315.255 2.855 20 0 DFADHO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCN ZINC000423177479 296388671 /nfs/dbraw/zinc/38/86/71/296388671.db2.gz DZPFPHAKKFHTCX-PRHODGIISA-N 1 3 301.253 2.780 20 0 DFADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000617011491 399572609 /nfs/dbraw/zinc/57/26/09/399572609.db2.gz GDZFNAVRBMOYQZ-RDJZCZTQSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000617011491 399572612 /nfs/dbraw/zinc/57/26/12/399572612.db2.gz GDZFNAVRBMOYQZ-RDJZCZTQSA-N 1 3 321.509 2.630 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1cc(C)ccc1Br ZINC000423186369 296389656 /nfs/dbraw/zinc/38/96/56/296389656.db2.gz ONHVXRDIRDVMAK-ZDUSSCGKSA-N 1 3 315.255 2.601 20 0 DFADHO C[C@H]1C[C@H]([NH2+]CC2(N)CCCCC2)CN1Cc1ccccc1 ZINC000423183450 296389689 /nfs/dbraw/zinc/38/96/89/296389689.db2.gz RXXXJHTXHWOAGO-WMZOPIPTSA-N 1 3 301.478 2.901 20 0 DFADHO C[C@H]1C[C@H](NCC2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC000423183450 296389690 /nfs/dbraw/zinc/38/96/90/296389690.db2.gz RXXXJHTXHWOAGO-WMZOPIPTSA-N 1 3 301.478 2.901 20 0 DFADHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccc(-c2ccccc2)o1 ZINC000423187515 296390224 /nfs/dbraw/zinc/39/02/24/296390224.db2.gz YBEDSMAIFDXLQD-INIZCTEOSA-N 1 3 313.445 2.893 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCNCC2)c2ccccc21 ZINC000423191057 296390339 /nfs/dbraw/zinc/39/03/39/296390339.db2.gz UCUUPSGZWQZQDR-IAGOWNOFSA-N 1 3 302.418 2.510 20 0 DFADHO C[C@@H](O)C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000157591011 197199382 /nfs/dbraw/zinc/19/93/82/197199382.db2.gz QEABYMIPAOKDKQ-OAGGEKHMSA-N 1 3 308.466 2.685 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2c(F)cccc2F)CCC1 ZINC000423195686 296391163 /nfs/dbraw/zinc/39/11/63/296391163.db2.gz YBYSBDLPSKWRKN-HEHGZKQESA-N 1 3 324.415 2.728 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423195686 296391164 /nfs/dbraw/zinc/39/11/64/296391164.db2.gz YBYSBDLPSKWRKN-HEHGZKQESA-N 1 3 324.415 2.728 20 0 DFADHO Cn1cc([C@H](NC2CCC([NH3+])CC2)c2cccc(F)c2)cn1 ZINC000423205771 296392260 /nfs/dbraw/zinc/39/22/60/296392260.db2.gz BKGXUYIBFAMCAL-OFLPRAFFSA-N 1 3 302.397 2.508 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCCNC2)cc1OC ZINC000423205193 296392277 /nfs/dbraw/zinc/39/22/77/296392277.db2.gz BCUDXUILJVBNGU-JYJNAYRXSA-N 1 3 320.477 2.921 20 0 DFADHO COc1cc(C)c(C[C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000423205193 296392278 /nfs/dbraw/zinc/39/22/78/296392278.db2.gz BCUDXUILJVBNGU-JYJNAYRXSA-N 1 3 320.477 2.921 20 0 DFADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCCNC2)C[C@@H]1OCc1ccccc1 ZINC000423213193 296393134 /nfs/dbraw/zinc/39/31/34/296393134.db2.gz MXVBJYCEHMEGOT-KURKYZTESA-N 1 3 302.462 2.960 20 0 DFADHO CC1(C)[C@H](NC[C@@H]2CCC[NH2+]C2)C[C@@H]1OCc1ccccc1 ZINC000423213193 296393135 /nfs/dbraw/zinc/39/31/35/296393135.db2.gz MXVBJYCEHMEGOT-KURKYZTESA-N 1 3 302.462 2.960 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H](NC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423216966 296393379 /nfs/dbraw/zinc/39/33/79/296393379.db2.gz STGHYHAUNOLJAD-OLMNPRSZSA-N 1 3 316.445 2.757 20 0 DFADHO Brc1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCCNC1)C2 ZINC000423217122 296393470 /nfs/dbraw/zinc/39/34/70/296393470.db2.gz SXYADIUNRLGPPD-LRDDRELGSA-N 1 3 323.278 2.896 20 0 DFADHO C[C@H](NC1CCC([NH3+])CC1)c1ncc(Br)s1 ZINC000423220841 296394095 /nfs/dbraw/zinc/39/40/95/296394095.db2.gz VZINIZHDCIYGOR-UEJVZZJDSA-N 1 3 304.257 2.826 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000271430168 208908922 /nfs/dbraw/zinc/90/89/22/208908922.db2.gz DJJZIPFJGSNUJK-HZPDHXFCSA-N 1 3 316.449 2.563 20 0 DFADHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(I)cc1 ZINC000423242115 296396338 /nfs/dbraw/zinc/39/63/38/296396338.db2.gz YNGQULXAINSEAI-VHSXEESVSA-N 1 3 318.202 2.679 20 0 DFADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000156943240 197151828 /nfs/dbraw/zinc/15/18/28/197151828.db2.gz HDVCFTCWGBJLKN-DZKIICNBSA-N 1 3 317.433 2.777 20 0 DFADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000156943240 197151829 /nfs/dbraw/zinc/15/18/29/197151829.db2.gz HDVCFTCWGBJLKN-DZKIICNBSA-N 1 3 317.433 2.777 20 0 DFADHO COc1ccc([C@H](C)[NH2+][C@H](CN)CC(C)C)cc1NC(C)=O ZINC000423261255 296398079 /nfs/dbraw/zinc/39/80/79/296398079.db2.gz JGIBFBDUNADZNF-WFASDCNBSA-N 1 3 307.438 2.678 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423263626 296398154 /nfs/dbraw/zinc/39/81/54/296398154.db2.gz BFFXPVPQXDTUED-HLLBOEOZSA-N 1 3 303.450 2.535 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423263626 296398155 /nfs/dbraw/zinc/39/81/55/296398155.db2.gz BFFXPVPQXDTUED-HLLBOEOZSA-N 1 3 303.450 2.535 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@@H]1CCc2cc(Br)ccc2C1 ZINC000423270706 296399141 /nfs/dbraw/zinc/39/91/41/296399141.db2.gz IDHYYVFDQPDMEE-IAQYHMDHSA-N 1 3 311.267 2.752 20 0 DFADHO CNC[C@@H](C)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423270706 296399142 /nfs/dbraw/zinc/39/91/42/296399142.db2.gz IDHYYVFDQPDMEE-IAQYHMDHSA-N 1 3 311.267 2.752 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000423273959 296399604 /nfs/dbraw/zinc/39/96/04/296399604.db2.gz LGGHNNOFDIOFGK-DXCKQFNASA-N 1 3 316.449 2.749 20 0 DFADHO CC(=O)NCCc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423265143 296398618 /nfs/dbraw/zinc/39/86/18/296398618.db2.gz AUNVJQSTGNFMAV-ZOCIIQOWSA-N 1 3 317.477 2.533 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000423296110 296402085 /nfs/dbraw/zinc/40/20/85/296402085.db2.gz GDNRVFHEWSMVPI-UONOGXRCSA-N 1 3 306.454 2.806 20 0 DFADHO CCN1CCC[C@H]([NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000347882879 285223400 /nfs/dbraw/zinc/22/34/00/285223400.db2.gz VGPMJNZYIZOSMM-HOJAQTOUSA-N 1 3 315.505 2.971 20 0 DFADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423357312 296408314 /nfs/dbraw/zinc/40/83/14/296408314.db2.gz SEKHDEAXWBDMJU-ZBFHGGJFSA-N 1 3 305.466 2.559 20 0 DFADHO c1cc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc2c1CNC2 ZINC000423368973 296409508 /nfs/dbraw/zinc/40/95/08/296409508.db2.gz DPCKFTGVGOUUPG-SZVBFZGTSA-N 1 3 300.446 2.975 20 0 DFADHO COCC1(CN[C@H](C)c2ccc(OC)cc2F)CC[NH2+]CC1 ZINC000423380509 296410452 /nfs/dbraw/zinc/41/04/52/296410452.db2.gz DTFLJVZZQLLTIB-CYBMUJFWSA-N 1 3 310.413 2.501 20 0 DFADHO OC(CN1CCC[C@@H]2CCC[C@@H]21)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000246016539 285231473 /nfs/dbraw/zinc/23/14/73/285231473.db2.gz UKVPWJUNWRTQRK-CAMMJAKZSA-N 1 3 306.494 2.876 20 0 DFADHO OC(CN1CCC[C@@H]2CCC[C@@H]21)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000246016539 285231476 /nfs/dbraw/zinc/23/14/76/285231476.db2.gz UKVPWJUNWRTQRK-CAMMJAKZSA-N 1 3 306.494 2.876 20 0 DFADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCCC[C@@H]2C)cn1C ZINC000347916886 285243979 /nfs/dbraw/zinc/24/39/79/285243979.db2.gz KXKPBHZOQZLLBY-HNNXBMFYSA-N 1 3 321.465 2.556 20 0 DFADHO COC(=O)c1cc(CNCCCC[N@H+]2CCCC[C@@H]2C)cn1C ZINC000347916886 285243984 /nfs/dbraw/zinc/24/39/84/285243984.db2.gz KXKPBHZOQZLLBY-HNNXBMFYSA-N 1 3 321.465 2.556 20 0 DFADHO COc1cc(F)c([C@@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000423421780 296415129 /nfs/dbraw/zinc/41/51/29/296415129.db2.gz BACILEMVXAWIQF-DIOULYMOSA-N 1 3 322.424 2.882 20 0 DFADHO COc1ccc(OC)c([C@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000423435548 296416449 /nfs/dbraw/zinc/41/64/49/296416449.db2.gz LCXHPHUREFNYOJ-AFAVFJNCSA-N 1 3 304.434 2.743 20 0 DFADHO CC(C)[C@H]1C[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)CCO1 ZINC000423524229 296426105 /nfs/dbraw/zinc/42/61/05/296426105.db2.gz JBNPJGMMNICJQE-XCWFVBJVSA-N 1 3 306.494 2.933 20 0 DFADHO COc1cc(F)c([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000423536969 296427850 /nfs/dbraw/zinc/42/78/50/296427850.db2.gz BJZOSTTUSRZJMV-IGQOVBAYSA-N 1 3 322.424 2.882 20 0 DFADHO COc1ccc([C@H](OC)[C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000271586623 209036098 /nfs/dbraw/zinc/03/60/98/209036098.db2.gz XPCLERFQMXSRSQ-CXHZTBPHSA-N 1 3 306.450 2.844 20 0 DFADHO COc1ccc([C@H](OC)[C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000271586623 209036100 /nfs/dbraw/zinc/03/61/00/209036100.db2.gz XPCLERFQMXSRSQ-CXHZTBPHSA-N 1 3 306.450 2.844 20 0 DFADHO CCC[C@@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)N(C)C ZINC000423612801 296433636 /nfs/dbraw/zinc/43/36/36/296433636.db2.gz OQXUKCFTGFVGAG-MSOLQXFVSA-N 1 3 313.445 2.686 20 0 DFADHO Cc1cnccc1OC1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000289475543 221001097 /nfs/dbraw/zinc/00/10/97/221001097.db2.gz XKTRDQYEGAQKST-MRXNPFEDSA-N 1 3 303.450 2.718 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)cc1 ZINC000423651952 296436573 /nfs/dbraw/zinc/43/65/73/296436573.db2.gz MUPIWPBCEKOXIN-NSHDSACASA-N 1 3 313.376 2.743 20 0 DFADHO FC(F)CN1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000629520740 399633514 /nfs/dbraw/zinc/63/35/14/399633514.db2.gz XXPUZAGFXYLPDY-FXUDXRNXSA-N 1 3 315.452 2.616 20 0 DFADHO FC(F)CN1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000629520759 399633565 /nfs/dbraw/zinc/63/35/65/399633565.db2.gz XXPUZAGFXYLPDY-KLHDSHLOSA-N 1 3 315.452 2.616 20 0 DFADHO COc1ccc2c(c1)[C@@H]([NH2+]CC1(N)CCOCC1)CCCS2 ZINC000629521057 399634150 /nfs/dbraw/zinc/63/41/50/399634150.db2.gz OAJSTVFFNPJRCR-HNNXBMFYSA-N 1 3 322.474 2.720 20 0 DFADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000629520262 399634161 /nfs/dbraw/zinc/63/41/61/399634161.db2.gz DWMJIVJNGQVWMF-LLVKDONJSA-N 1 3 318.339 2.744 20 0 DFADHO CN1CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000289830434 221254866 /nfs/dbraw/zinc/25/48/66/221254866.db2.gz OFLQPQYJZXICTD-LJQANCHMSA-N 1 3 315.505 2.973 20 0 DFADHO C[NH+](C)Cc1ccc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC000289873038 221282933 /nfs/dbraw/zinc/28/29/33/221282933.db2.gz QXNZUOHSLOMVDH-GOSISDBHSA-N 1 3 321.440 2.899 20 0 DFADHO C[NH2+]CCOCCN[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000629529009 399636930 /nfs/dbraw/zinc/63/69/30/399636930.db2.gz PCPQKMSSDCOYAA-ZDUSSCGKSA-N 1 3 303.233 2.806 20 0 DFADHO C[NH2+]CCOCCN[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000629528879 399636951 /nfs/dbraw/zinc/63/69/51/399636951.db2.gz LZIBSYDXVPMLAL-CYBMUJFWSA-N 1 3 306.406 2.636 20 0 DFADHO CCOc1cccc2cc([C@H](C)NCCOCC[NH2+]C)oc21 ZINC000629529978 399637374 /nfs/dbraw/zinc/63/73/74/399637374.db2.gz RXARAKOAYMZQKH-ZDUSSCGKSA-N 1 3 306.406 2.718 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000290021341 221384295 /nfs/dbraw/zinc/38/42/95/221384295.db2.gz SVJHSAIYYWNUNX-RHSMWYFYSA-N 1 3 303.450 2.855 20 0 DFADHO Cc1cc(Cl)c2c(c1)[C@@H](NCCOCCC[NH3+])CCCO2 ZINC000629534870 399638874 /nfs/dbraw/zinc/63/88/74/399638874.db2.gz BXIGCNRNHWQANB-HNNXBMFYSA-N 1 3 312.841 2.817 20 0 DFADHO COc1ccc2c(c1)[C@H](NCCOCCC[NH3+])CCCS2 ZINC000629539069 399640231 /nfs/dbraw/zinc/64/02/31/399640231.db2.gz PENLVUSIIIEJAN-OAHLLOKOSA-N 1 3 310.463 2.577 20 0 DFADHO C[C@H](NCCOCCC[NH3+])c1ccc(Br)c(F)c1 ZINC000629541913 399641247 /nfs/dbraw/zinc/64/12/47/399641247.db2.gz TZENFIXVHZJNNY-JTQLQIEISA-N 1 3 319.218 2.604 20 0 DFADHO Cc1ccc(C(C)(C)CNC[C@@H](O)C[NH+]2CCCC2)c(C)c1 ZINC000629579509 399653451 /nfs/dbraw/zinc/65/34/51/399653451.db2.gz FFDALBGDYGALAF-QGZVFWFLSA-N 1 3 304.478 2.627 20 0 DFADHO CC(C)c1ccc(O[C@H](C)C[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000629581111 399654134 /nfs/dbraw/zinc/65/41/34/399654134.db2.gz NMHSBGBXUCKOGE-AEFFLSMTSA-N 1 3 320.477 2.624 20 0 DFADHO O[C@H](CNC[C@@H]1CCC[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000629579511 399654209 /nfs/dbraw/zinc/65/42/09/399654209.db2.gz FGMQPELFBMTYKY-IPMKNSEASA-N 1 3 302.462 2.617 20 0 DFADHO CSc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000629590109 399657119 /nfs/dbraw/zinc/65/71/19/399657119.db2.gz LYNGWFCMNPEBOA-QGZVFWFLSA-N 1 3 320.502 2.999 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccccc1CC(F)(F)F ZINC000629555288 399646690 /nfs/dbraw/zinc/64/66/90/399646690.db2.gz UKICLNMAPVUUPR-CQDKDKBSSA-N 1 3 316.367 2.633 20 0 DFADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]CC1(N)CCOCC1 ZINC000629655683 399677441 /nfs/dbraw/zinc/67/74/41/399677441.db2.gz XPIKKLGOPKGOSX-UHFFFAOYSA-N 1 3 302.340 2.611 20 0 DFADHO C[NH2+][C@H](CO)c1cccc(-c2cccc(OCCN(C)C)c2)c1 ZINC000629699951 399693589 /nfs/dbraw/zinc/69/35/89/399693589.db2.gz FBUMNEVBAPRPKB-LJQANCHMSA-N 1 3 314.429 2.547 20 0 DFADHO CN1CCN(Cc2ccccc2-c2cccc(CCC[NH3+])c2)CC1 ZINC000629735475 399707694 /nfs/dbraw/zinc/70/76/94/399707694.db2.gz YLPQUURZXSMQHB-UHFFFAOYSA-N 1 3 323.484 2.992 20 0 DFADHO CN(C)Cc1ccc(F)c(-c2cccc(C[C@H](C[NH3+])CO)c2)c1 ZINC000629736407 399708659 /nfs/dbraw/zinc/70/86/59/399708659.db2.gz GBAWTHIEVLFAMV-MRXNPFEDSA-N 1 3 316.420 2.664 20 0 DFADHO CC[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC000093502012 542553558 /nfs/dbraw/zinc/55/35/58/542553558.db2.gz MYWYVZLXLHVNBY-QGZVFWFLSA-N 1 3 308.491 2.954 20 0 DFADHO CCCCCC(=O)NC1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000348082273 285335281 /nfs/dbraw/zinc/33/52/81/285335281.db2.gz YFVJHPSBROHZPK-KRWDZBQOSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCCC[C@H]1C ZINC000617504803 399719773 /nfs/dbraw/zinc/71/97/73/399719773.db2.gz KTGMDFQHVYWKMR-IXDOHACOSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCCC[C@H]1C ZINC000617504803 399719776 /nfs/dbraw/zinc/71/97/76/399719776.db2.gz KTGMDFQHVYWKMR-IXDOHACOSA-N 1 3 311.514 2.591 20 0 DFADHO CC[C@H]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507483 399720604 /nfs/dbraw/zinc/72/06/04/399720604.db2.gz YNZFEWHLHHCDII-ULQDDVLXSA-N 1 3 311.514 2.591 20 0 DFADHO CC[C@H]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507483 399720607 /nfs/dbraw/zinc/72/06/07/399720607.db2.gz YNZFEWHLHHCDII-ULQDDVLXSA-N 1 3 311.514 2.591 20 0 DFADHO CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507951 399721113 /nfs/dbraw/zinc/72/11/13/399721113.db2.gz PNYCXBKDWLOQRK-BBWFWOEESA-N 1 3 311.514 2.591 20 0 DFADHO CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507951 399721118 /nfs/dbraw/zinc/72/11/18/399721118.db2.gz PNYCXBKDWLOQRK-BBWFWOEESA-N 1 3 311.514 2.591 20 0 DFADHO COC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000368235192 285354540 /nfs/dbraw/zinc/35/45/40/285354540.db2.gz NSRQHBXVQZPWFA-JCHJZTRSSA-N 1 3 302.462 2.912 20 0 DFADHO COC[C@H](C)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000368235192 285354544 /nfs/dbraw/zinc/35/45/44/285354544.db2.gz NSRQHBXVQZPWFA-JCHJZTRSSA-N 1 3 302.462 2.912 20 0 DFADHO COC[C@H](C)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000368235192 285354547 /nfs/dbraw/zinc/35/45/47/285354547.db2.gz NSRQHBXVQZPWFA-JCHJZTRSSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000348110518 285355645 /nfs/dbraw/zinc/35/56/45/285355645.db2.gz NDWIOEZDDNZXHO-BEFAXECRSA-N 1 3 302.462 2.922 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348115502 285359233 /nfs/dbraw/zinc/35/92/33/285359233.db2.gz HVPPBCLFNLSXPJ-MCIONIFRSA-N 1 3 308.388 2.806 20 0 DFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000121101232 195293730 /nfs/dbraw/zinc/29/37/30/195293730.db2.gz NCRIQRJXMTXPAZ-CVEARBPZSA-N 1 3 307.457 2.750 20 0 DFADHO COc1cccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1OC(F)F ZINC000316671826 533515718 /nfs/dbraw/zinc/51/57/18/533515718.db2.gz VPDHDKDYILKULS-DGCLKSJQSA-N 1 3 314.376 2.869 20 0 DFADHO COc1cccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1OC(F)F ZINC000316671822 533518227 /nfs/dbraw/zinc/51/82/27/533518227.db2.gz VPDHDKDYILKULS-AAEUAGOBSA-N 1 3 314.376 2.869 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121056673 542582383 /nfs/dbraw/zinc/58/23/83/542582383.db2.gz INAALZPLYHHMFP-GOSISDBHSA-N 1 3 323.431 2.569 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121063394 542582471 /nfs/dbraw/zinc/58/24/71/542582471.db2.gz ZLSQPKQZHMLDRA-ACJLOTCBSA-N 1 3 323.431 2.568 20 0 DFADHO COC(=O)Nc1ccc(CCN[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000496135397 300019970 /nfs/dbraw/zinc/01/99/70/300019970.db2.gz VVVZYKXEUHHVFY-HOTGVXAUSA-N 1 3 305.422 2.657 20 0 DFADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000603432613 399775221 /nfs/dbraw/zinc/77/52/21/399775221.db2.gz JKGLJXASADUORW-CHWSQXEVSA-N 1 3 318.339 2.679 20 0 DFADHO CCC[NH+]1CCC(NCCc2cnn(-c3ccccc3)c2)CC1 ZINC000130352211 542630736 /nfs/dbraw/zinc/63/07/36/542630736.db2.gz QOWIGIGOTWNUPU-UHFFFAOYSA-N 1 3 312.461 2.879 20 0 DFADHO Cc1nn(C)c(N(C)C)c1CNCCCCC[NH+]1CCCCC1 ZINC000603516059 399785808 /nfs/dbraw/zinc/78/58/08/399785808.db2.gz DEQBMNWRLNTEJP-UHFFFAOYSA-N 1 3 321.513 2.540 20 0 DFADHO C[C@H](CC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)N1CCCCC1 ZINC000348362443 285511109 /nfs/dbraw/zinc/51/11/09/285511109.db2.gz AFADGZYMDYXKIV-MCIONIFRSA-N 1 3 308.388 2.950 20 0 DFADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCO2 ZINC000166395741 542751189 /nfs/dbraw/zinc/75/11/89/542751189.db2.gz ZTGIMOSBJNEWRT-HZPDHXFCSA-N 1 3 316.445 2.909 20 0 DFADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCO2 ZINC000166395741 542751195 /nfs/dbraw/zinc/75/11/95/542751195.db2.gz ZTGIMOSBJNEWRT-HZPDHXFCSA-N 1 3 316.445 2.909 20 0 DFADHO CN(C)[C@H]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424139291 296486963 /nfs/dbraw/zinc/48/69/63/296486963.db2.gz ACUBYPMWQSUIKH-SJORKVTESA-N 1 3 309.498 2.617 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2c[nH]nc2C)[C@H](C)C1 ZINC000180550492 542785163 /nfs/dbraw/zinc/78/51/63/542785163.db2.gz BGKLGOIHXNFPHI-KEYYUXOJSA-N 1 3 308.470 2.506 20 0 DFADHO C[C@@H]1C[C@@H](NCCc2nc(-c3ccccn3)cs2)CC[N@@H+]1C ZINC000181009942 542787402 /nfs/dbraw/zinc/78/74/02/542787402.db2.gz NGMXWDDMOXEJFW-KGLIPLIRSA-N 1 3 316.474 2.820 20 0 DFADHO C[C@@H]1C[C@@H](NCCc2nc(-c3ccccn3)cs2)CC[N@H+]1C ZINC000181009942 542787405 /nfs/dbraw/zinc/78/74/05/542787405.db2.gz NGMXWDDMOXEJFW-KGLIPLIRSA-N 1 3 316.474 2.820 20 0 DFADHO CCC[N@H+](C)C[C@H]1CCN(CCN(C)Cc2ccc(F)cc2)C1 ZINC000181730836 542791681 /nfs/dbraw/zinc/79/16/81/542791681.db2.gz KDCOPXVRMGHOJQ-GOSISDBHSA-N 1 3 321.484 2.921 20 0 DFADHO CCC[N@@H+](C)C[C@H]1CCN(CCN(C)Cc2ccc(F)cc2)C1 ZINC000181730836 542791684 /nfs/dbraw/zinc/79/16/84/542791684.db2.gz KDCOPXVRMGHOJQ-GOSISDBHSA-N 1 3 321.484 2.921 20 0 DFADHO C[C@@H]1C[C@@H](Nc2ccccc2CN2CCC(O)CC2)CC[N@@H+]1C ZINC000182249550 542794109 /nfs/dbraw/zinc/79/41/09/542794109.db2.gz MKYYUHNWEZNMTI-WBVHZDCISA-N 1 3 317.477 2.538 20 0 DFADHO C[C@@H]1C[C@@H](Nc2ccccc2CN2CCC(O)CC2)CC[N@H+]1C ZINC000182249550 542794113 /nfs/dbraw/zinc/79/41/13/542794113.db2.gz MKYYUHNWEZNMTI-WBVHZDCISA-N 1 3 317.477 2.538 20 0 DFADHO CCCc1cccc(C[NH2+]CCCN2CCCN(C)CC2)c1 ZINC000187211033 542819185 /nfs/dbraw/zinc/81/91/85/542819185.db2.gz NJJKHPFNVVYBQB-UHFFFAOYSA-N 1 3 303.494 2.756 20 0 DFADHO CC(C)(C)CCN1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424275330 296497823 /nfs/dbraw/zinc/49/78/23/296497823.db2.gz ATCDVKXYNJPIPA-KRWDZBQOSA-N 1 3 321.484 2.922 20 0 DFADHO CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000236699940 542895947 /nfs/dbraw/zinc/89/59/47/542895947.db2.gz FLEVQMCMKULAAS-MSOLQXFVSA-N 1 3 317.477 2.531 20 0 DFADHO CN(CC[NH2+]C(C)(C)C)C1CCN(Cc2ccccc2)CC1 ZINC000261559420 542952119 /nfs/dbraw/zinc/95/21/19/542952119.db2.gz ZBSVCAJDONJNCD-UHFFFAOYSA-N 1 3 303.494 2.971 20 0 DFADHO CCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@H]1CCN(CC)C1 ZINC000617925486 399834735 /nfs/dbraw/zinc/83/47/35/399834735.db2.gz MOTMQADZLFTKCM-KRWDZBQOSA-N 1 3 309.498 2.584 20 0 DFADHO CCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@H]1CCN(CC)C1 ZINC000617925486 399834739 /nfs/dbraw/zinc/83/47/39/399834739.db2.gz MOTMQADZLFTKCM-KRWDZBQOSA-N 1 3 309.498 2.584 20 0 DFADHO [NH3+]C[C@@H]1CN(CCOCc2ccccc2)C[C@H]1c1ccccc1 ZINC000304623158 543050214 /nfs/dbraw/zinc/05/02/14/543050214.db2.gz PMYNQMQYMSTPHI-UXHICEINSA-N 1 3 310.441 2.878 20 0 DFADHO COc1ccc(COCCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339067216 543140469 /nfs/dbraw/zinc/14/04/69/543140469.db2.gz FKYCVDLFRFYYNG-MSOLQXFVSA-N 1 3 318.461 2.818 20 0 DFADHO COc1ccc(COCCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339067216 543140473 /nfs/dbraw/zinc/14/04/73/543140473.db2.gz FKYCVDLFRFYYNG-MSOLQXFVSA-N 1 3 318.461 2.818 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1cccc(CN(C)C)c1 ZINC000339245206 543141935 /nfs/dbraw/zinc/14/19/35/543141935.db2.gz GYHWIOAJVPZBCO-INIZCTEOSA-N 1 3 317.477 2.629 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC(=O)NCc1cccc(CN(C)C)c1 ZINC000339245206 543141938 /nfs/dbraw/zinc/14/19/38/543141938.db2.gz GYHWIOAJVPZBCO-INIZCTEOSA-N 1 3 317.477 2.629 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000342204634 543161864 /nfs/dbraw/zinc/16/18/64/543161864.db2.gz HHBLBGTURWFMIY-KRWDZBQOSA-N 1 3 309.498 2.585 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000342204634 543161867 /nfs/dbraw/zinc/16/18/67/543161867.db2.gz HHBLBGTURWFMIY-KRWDZBQOSA-N 1 3 309.498 2.585 20 0 DFADHO COC1(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CCOCC1 ZINC000365462935 292111312 /nfs/dbraw/zinc/11/13/12/292111312.db2.gz QMLXKYKUNVHYCX-GOSISDBHSA-N 1 3 324.509 2.770 20 0 DFADHO C[C@@H](CC(=O)N1CCN(CCC(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000165701116 145230830 /nfs/dbraw/zinc/23/08/30/145230830.db2.gz GITDDJPZMNKAGJ-DLBZAZTESA-N 1 3 323.525 2.593 20 0 DFADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000166065932 145233520 /nfs/dbraw/zinc/23/35/20/145233520.db2.gz MPJJFOHGHCTSPS-QZWWFDLISA-N 1 3 321.509 2.534 20 0 DFADHO C[C@H]1C[C@@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)CC[N@@H+]1C ZINC000167464157 145240706 /nfs/dbraw/zinc/24/07/06/145240706.db2.gz UAVYRYWUCMWJMH-MELADBBJSA-N 1 3 309.404 2.616 20 0 DFADHO C[C@H]1C[C@@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)CC[N@H+]1C ZINC000167464157 145240708 /nfs/dbraw/zinc/24/07/08/145240708.db2.gz UAVYRYWUCMWJMH-MELADBBJSA-N 1 3 309.404 2.616 20 0 DFADHO CCOc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)ccc1OC ZINC000168811684 145243763 /nfs/dbraw/zinc/24/37/63/145243763.db2.gz FGICBCFJOOMQPK-OFQRWUPVSA-N 1 3 306.450 2.912 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414925500 543328141 /nfs/dbraw/zinc/32/81/41/543328141.db2.gz LWAQDAPDQHQXOD-UXIGCNINSA-N 1 3 309.841 2.917 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414925500 543328143 /nfs/dbraw/zinc/32/81/43/543328143.db2.gz LWAQDAPDQHQXOD-UXIGCNINSA-N 1 3 309.841 2.917 20 0 DFADHO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)N1[C@H](C)CC[C@H]1C ZINC000174384458 145377905 /nfs/dbraw/zinc/37/79/05/145377905.db2.gz OPCJRHCYFFSIPJ-ZJPYXAASSA-N 1 3 321.509 2.582 20 0 DFADHO Cc1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)c2cc(OC(F)F)ccc2n1 ZINC000630553055 399902417 /nfs/dbraw/zinc/90/24/17/399902417.db2.gz CRXXRYFDVZBTTG-QWRGUYRKSA-N 1 3 305.328 2.695 20 0 DFADHO Cc1scc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1C ZINC000631074510 399975303 /nfs/dbraw/zinc/97/53/03/399975303.db2.gz FAVVDWBLMXCQAD-OAHLLOKOSA-N 1 3 308.491 2.955 20 0 DFADHO Cc1cc(C)c(/C=C\C[NH2+]CC2(O)CCN(C)CC2)c(C)c1 ZINC000631077527 399975878 /nfs/dbraw/zinc/97/58/78/399975878.db2.gz GYVVCDOYOWVRAX-WAYWQWQTSA-N 1 3 302.462 2.671 20 0 DFADHO Cc1scc(CNCc2ccnc(OCC[NH+](C)C)c2)c1C ZINC000631101820 399980753 /nfs/dbraw/zinc/98/07/53/399980753.db2.gz NAUPUDVZVCBDFV-UHFFFAOYSA-N 1 3 319.474 2.990 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000634122290 399985244 /nfs/dbraw/zinc/98/52/44/399985244.db2.gz VKMRSQUOOVYMGA-INIZCTEOSA-N 1 3 309.498 2.584 20 0 DFADHO Cn1nc2c(c1CNCC1CC[NH+](CC3CC3)CC1)CCCC2 ZINC000631179286 399997420 /nfs/dbraw/zinc/99/74/20/399997420.db2.gz SOWGQSXZXCMFGQ-UHFFFAOYSA-N 1 3 316.493 2.511 20 0 DFADHO Cc1ccc([C@@H](C)C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000628261454 400010244 /nfs/dbraw/zinc/01/02/44/400010244.db2.gz WZSCQUVRZHRHCU-KRWDZBQOSA-N 1 3 303.494 2.714 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000631258870 400014095 /nfs/dbraw/zinc/01/40/95/400014095.db2.gz DIHJJAYGNWGICZ-AABGKKOBSA-N 1 3 313.489 2.786 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000631258870 400014098 /nfs/dbraw/zinc/01/40/98/400014098.db2.gz DIHJJAYGNWGICZ-AABGKKOBSA-N 1 3 313.489 2.786 20 0 DFADHO C[NH+](C)CCOc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000631264063 400014949 /nfs/dbraw/zinc/01/49/49/400014949.db2.gz XTPNIWSEDAAFHA-ZIAGYGMSSA-N 1 3 302.340 2.667 20 0 DFADHO Cc1nc(C)c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)o1 ZINC000628338115 400022191 /nfs/dbraw/zinc/02/21/91/400022191.db2.gz ZYNNLLPATYVIHG-UHFFFAOYSA-N 1 3 314.433 2.688 20 0 DFADHO CN(C)[C@H](CC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000628747381 400051872 /nfs/dbraw/zinc/05/18/72/400051872.db2.gz PEHKHJCQYTVNJE-SJLPKXTDSA-N 1 3 317.477 2.528 20 0 DFADHO CN(C)[C@H](CC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628747381 400051873 /nfs/dbraw/zinc/05/18/73/400051873.db2.gz PEHKHJCQYTVNJE-SJLPKXTDSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CCOCCN(C)C ZINC000631621633 400059078 /nfs/dbraw/zinc/05/90/78/400059078.db2.gz QCJXNCMHUDYEEY-HNNXBMFYSA-N 1 3 303.450 2.657 20 0 DFADHO CCOC1CC([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000631661645 400063544 /nfs/dbraw/zinc/06/35/44/400063544.db2.gz ARHBNIBJUYBVCI-XMZVIZOASA-N 1 3 302.462 2.912 20 0 DFADHO COC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000631665666 400064060 /nfs/dbraw/zinc/06/40/60/400064060.db2.gz XCSZGLROFBFRRJ-MNEFBYGVSA-N 1 3 302.462 2.769 20 0 DFADHO COC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000631665672 400064160 /nfs/dbraw/zinc/06/41/60/400064160.db2.gz XCSZGLROFBFRRJ-SNRMKQJTSA-N 1 3 302.462 2.769 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@H](O)C(F)F)CC1 ZINC000631696889 400067716 /nfs/dbraw/zinc/06/77/16/400067716.db2.gz ILRRNUIPJRJVHW-SNPRPXQTSA-N 1 3 304.425 2.635 20 0 DFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@H](O)C(F)F)CC1 ZINC000631696889 400067718 /nfs/dbraw/zinc/06/77/18/400067718.db2.gz ILRRNUIPJRJVHW-SNPRPXQTSA-N 1 3 304.425 2.635 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC[C@@H](O)C(F)F)CC2)C1 ZINC000631699499 400068137 /nfs/dbraw/zinc/06/81/37/400068137.db2.gz ZXSQDGFLSGJUEI-BPLDGKMQSA-N 1 3 304.425 2.635 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@@H](O)C(F)F)CC2)C1 ZINC000631699499 400068138 /nfs/dbraw/zinc/06/81/38/400068138.db2.gz ZXSQDGFLSGJUEI-BPLDGKMQSA-N 1 3 304.425 2.635 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000631754510 400072600 /nfs/dbraw/zinc/07/26/00/400072600.db2.gz JPULCJVKSKIPGX-YIYPIFLZSA-N 1 3 308.388 2.664 20 0 DFADHO C[C@H]1CN(Cc2cccc(OCc3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000631837002 400078794 /nfs/dbraw/zinc/07/87/94/400078794.db2.gz LJJUBDRVXBBWDO-RDJZCZTQSA-N 1 3 311.429 2.687 20 0 DFADHO C[C@@H]1CN(Cc2ccc(OCc3ccccn3)cc2)C[C@H]1C[NH3+] ZINC000631839627 400078833 /nfs/dbraw/zinc/07/88/33/400078833.db2.gz IQJIPHINFOBDGT-NVXWUHKLSA-N 1 3 311.429 2.687 20 0 DFADHO C[C@@H](NCCOCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000219323845 146001012 /nfs/dbraw/zinc/00/10/12/146001012.db2.gz LNOXSQBMDZOVNY-GFCCVEGCSA-N 1 3 304.356 2.934 20 0 DFADHO C[C@@H](NCCOCC[NH+](C)C)c1cc(Br)cs1 ZINC000226401797 146004791 /nfs/dbraw/zinc/00/47/91/146004791.db2.gz BYKKIERBECQKNA-SNVBAGLBSA-N 1 3 321.284 2.739 20 0 DFADHO C[C@H](NCCOCC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000231786823 146017203 /nfs/dbraw/zinc/01/72/03/146017203.db2.gz CUHXLYQTPRVGHS-LBPRGKRZSA-N 1 3 304.356 2.934 20 0 DFADHO NC1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCCC1 ZINC000237927263 146054983 /nfs/dbraw/zinc/05/49/83/146054983.db2.gz ZWMIMVQTZBUPID-UHFFFAOYSA-N 1 3 315.461 2.560 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H]2COC3(CCC(C)CC3)O2)[C@@H](C)C1 ZINC000245558921 146084117 /nfs/dbraw/zinc/08/41/17/146084117.db2.gz HIYPJTFJUOXKLO-WHRQZHCMSA-N 1 3 310.482 2.628 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H]2COC3(CCC(C)CC3)O2)[C@@H](C)C1 ZINC000245558921 146084121 /nfs/dbraw/zinc/08/41/21/146084121.db2.gz HIYPJTFJUOXKLO-WHRQZHCMSA-N 1 3 310.482 2.628 20 0 DFADHO CCC[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245710391 146096646 /nfs/dbraw/zinc/09/66/46/146096646.db2.gz NDHVIYILBLJWHH-RDGPPVDQSA-N 1 3 302.462 2.933 20 0 DFADHO CCC[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245710391 146096648 /nfs/dbraw/zinc/09/66/48/146096648.db2.gz NDHVIYILBLJWHH-RDGPPVDQSA-N 1 3 302.462 2.933 20 0 DFADHO C[NH+]1CCC(C)(CN[C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000349716750 285922135 /nfs/dbraw/zinc/92/21/35/285922135.db2.gz AJLCXGQXTPELAC-SFHVURJKSA-N 1 3 310.445 2.888 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H](C)c1cc(F)cc(F)c1 ZINC000349720339 285922710 /nfs/dbraw/zinc/92/27/10/285922710.db2.gz KPQSXCREUZSULK-CYBMUJFWSA-N 1 3 300.393 2.974 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H]1CCc2ccc(OC)cc21 ZINC000349724663 285924088 /nfs/dbraw/zinc/92/40/88/285924088.db2.gz UQWKYZUVJDJXTB-SFHVURJKSA-N 1 3 306.450 2.631 20 0 DFADHO CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261539653 146238125 /nfs/dbraw/zinc/23/81/25/146238125.db2.gz CXLNSPIIDSMLBU-RTBURBONSA-N 1 3 301.478 2.582 20 0 DFADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000261555153 146239106 /nfs/dbraw/zinc/23/91/06/146239106.db2.gz UUDHVEJSSMBFKT-PWIZWCRZSA-N 1 3 307.441 2.995 20 0 DFADHO CCN(C[C@H]1CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261556873 146241135 /nfs/dbraw/zinc/24/11/35/146241135.db2.gz WKXSYEJVGDTXQD-OALUTQOASA-N 1 3 301.478 2.582 20 0 DFADHO CCN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261556872 146241189 /nfs/dbraw/zinc/24/11/89/146241189.db2.gz WKXSYEJVGDTXQD-MOPGFXCFSA-N 1 3 301.478 2.582 20 0 DFADHO [NH3+]C[C@@H]1CN(Cc2ccc3c[nH]nc3c2)C[C@H]1c1ccccc1 ZINC000261611334 146246798 /nfs/dbraw/zinc/24/67/98/146246798.db2.gz CDMWUUNVVYMGOY-MSOLQXFVSA-N 1 3 306.413 2.737 20 0 DFADHO NC[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1c1ccccc1 ZINC000261611334 146246801 /nfs/dbraw/zinc/24/68/01/146246801.db2.gz CDMWUUNVVYMGOY-MSOLQXFVSA-N 1 3 306.413 2.737 20 0 DFADHO NC[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1c1ccccc1 ZINC000261611334 146246804 /nfs/dbraw/zinc/24/68/04/146246804.db2.gz CDMWUUNVVYMGOY-MSOLQXFVSA-N 1 3 306.413 2.737 20 0 DFADHO C[NH2+][C@H](C)Cc1noc([C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000261773187 146274224 /nfs/dbraw/zinc/27/42/24/146274224.db2.gz NINLKSZHESULEN-GDBMZVCRSA-N 1 3 314.433 2.600 20 0 DFADHO [NH3+]CC[C@@H]1CCCN(Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000261784070 146275785 /nfs/dbraw/zinc/27/57/85/146275785.db2.gz FRZZOVVSGUJZQV-AWEZNQCLSA-N 1 3 302.397 2.572 20 0 DFADHO C[N@H+](C[C@@H]1CCCNC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000261809501 146280701 /nfs/dbraw/zinc/28/07/01/146280701.db2.gz HOYSYULWLAFUOJ-OLMNPRSZSA-N 1 3 306.425 2.977 20 0 DFADHO C[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000261809501 146280703 /nfs/dbraw/zinc/28/07/03/146280703.db2.gz HOYSYULWLAFUOJ-OLMNPRSZSA-N 1 3 306.425 2.977 20 0 DFADHO CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000261809501 146280705 /nfs/dbraw/zinc/28/07/05/146280705.db2.gz HOYSYULWLAFUOJ-OLMNPRSZSA-N 1 3 306.425 2.977 20 0 DFADHO CC(=O)Nc1cccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261880255 146293173 /nfs/dbraw/zinc/29/31/73/146293173.db2.gz YKXIFZILUDUKJA-QUCCMNQESA-N 1 3 323.440 2.819 20 0 DFADHO CCOc1ccc(CN2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000261920078 146301652 /nfs/dbraw/zinc/30/16/52/146301652.db2.gz BNJCYAWHEOLHBR-UHFFFAOYSA-N 1 3 304.434 2.669 20 0 DFADHO CC[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261946209 146306852 /nfs/dbraw/zinc/30/68/52/146306852.db2.gz MFQWVIPFPBEPIM-ZBFHGGJFSA-N 1 3 323.868 2.578 20 0 DFADHO CC[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261946198 146307443 /nfs/dbraw/zinc/30/74/43/146307443.db2.gz MFQWVIPFPBEPIM-GDBMZVCRSA-N 1 3 323.868 2.578 20 0 DFADHO CC(C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)C(F)(F)F ZINC000262054959 146328941 /nfs/dbraw/zinc/32/89/41/146328941.db2.gz NDTDCFIDPNHMIH-SSDOTTSWSA-N 1 3 307.341 2.747 20 0 DFADHO CCOc1ccc(OCCN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000262111166 146334212 /nfs/dbraw/zinc/33/42/12/146334212.db2.gz JUOYKGRNPJGUPN-WBAXXEDZSA-N 1 3 304.434 2.523 20 0 DFADHO CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000262703058 146383023 /nfs/dbraw/zinc/38/30/23/146383023.db2.gz KAMRAWQFXWLZSZ-YOEHRIQHSA-N 1 3 323.506 2.594 20 0 DFADHO C[C@@H](O)CCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000355318663 147262982 /nfs/dbraw/zinc/26/29/82/147262982.db2.gz QMNUARZCBJHISG-MRXNPFEDSA-N 1 3 305.466 2.781 20 0 DFADHO C[C@@H](O)CCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000355318663 147262987 /nfs/dbraw/zinc/26/29/87/147262987.db2.gz QMNUARZCBJHISG-MRXNPFEDSA-N 1 3 305.466 2.781 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNC/C=C\c2ccc(F)cc2F)CC1 ZINC000350071941 285999079 /nfs/dbraw/zinc/99/90/79/285999079.db2.gz ALUXRSDFBBBAEM-ARJAWSKDSA-N 1 3 324.415 2.803 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000357635820 148064981 /nfs/dbraw/zinc/06/49/81/148064981.db2.gz KCSSPJLOYWXYSE-HNAYVOBHSA-N 1 3 302.462 2.841 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCOc2cccc(F)c2)C1 ZINC000350285458 286024384 /nfs/dbraw/zinc/02/43/84/286024384.db2.gz IBANQAKANGBPDE-GOSISDBHSA-N 1 3 324.440 2.637 20 0 DFADHO CC(C)C[C@H]1C[C@@H](NCc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425894414 296603347 /nfs/dbraw/zinc/60/33/47/296603347.db2.gz GLIKTEVPGNMMGX-HOTGVXAUSA-N 1 3 321.465 2.825 20 0 DFADHO COc1ccc(OC)c(CCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358366944 148342980 /nfs/dbraw/zinc/34/29/80/148342980.db2.gz LJNCNAURCIFYFW-IRXDYDNUSA-N 1 3 318.461 2.853 20 0 DFADHO COc1ccc(OC)c(CCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358366944 148342985 /nfs/dbraw/zinc/34/29/85/148342985.db2.gz LJNCNAURCIFYFW-IRXDYDNUSA-N 1 3 318.461 2.853 20 0 DFADHO C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358503824 148380565 /nfs/dbraw/zinc/38/05/65/148380565.db2.gz GUMOALKFGUAGBY-ZDUSSCGKSA-N 1 3 321.852 2.743 20 0 DFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc(Cl)c1 ZINC000361183159 149049544 /nfs/dbraw/zinc/04/95/44/149049544.db2.gz OZHCAHPXFRGHRW-DZGCQCFKSA-N 1 3 323.868 2.578 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000361482700 149126444 /nfs/dbraw/zinc/12/64/44/149126444.db2.gz YNMRYZJUIQADCK-BHIYHBOVSA-N 1 3 301.478 2.581 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361596585 149162851 /nfs/dbraw/zinc/16/28/51/149162851.db2.gz UCLPKOITFKYKCG-UXHICEINSA-N 1 3 316.489 2.788 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361596585 149162853 /nfs/dbraw/zinc/16/28/53/149162853.db2.gz UCLPKOITFKYKCG-UXHICEINSA-N 1 3 316.489 2.788 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361596585 149162855 /nfs/dbraw/zinc/16/28/55/149162855.db2.gz UCLPKOITFKYKCG-UXHICEINSA-N 1 3 316.489 2.788 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361596585 149162859 /nfs/dbraw/zinc/16/28/59/149162859.db2.gz UCLPKOITFKYKCG-UXHICEINSA-N 1 3 316.489 2.788 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCNc1ncc(Cl)cc1Cl ZINC000361876596 149243609 /nfs/dbraw/zinc/24/36/09/149243609.db2.gz FSGVGMCQEUXAHH-GXFFZTMASA-N 1 3 317.264 2.730 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCNc1ncc(Cl)cc1Cl ZINC000361876596 149243614 /nfs/dbraw/zinc/24/36/14/149243614.db2.gz FSGVGMCQEUXAHH-GXFFZTMASA-N 1 3 317.264 2.730 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc2c(s1)CCCC2 ZINC000361877301 149243749 /nfs/dbraw/zinc/24/37/49/149243749.db2.gz LXHXCTSYYSRUGY-ZDUSSCGKSA-N 1 3 308.491 2.734 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)c(Cl)c1 ZINC000361881793 149244839 /nfs/dbraw/zinc/24/48/39/149244839.db2.gz WSXRSSVCBAYFIF-NSHDSACASA-N 1 3 300.805 2.586 20 0 DFADHO NCc1cc(NC(=O)C2(C[NH3+])CCCC2)cc(C(F)(F)F)c1 ZINC000362574961 149312694 /nfs/dbraw/zinc/31/26/94/149312694.db2.gz IIKJVSIQWNIGNQ-UHFFFAOYSA-N 1 3 315.339 2.622 20 0 DFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccccc1CN(C)C ZINC000362759738 149359750 /nfs/dbraw/zinc/35/97/50/149359750.db2.gz MWDLWXJEOJGGJI-IYBDPMFKSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccccc1CN(C)C ZINC000362759738 149359754 /nfs/dbraw/zinc/35/97/54/149359754.db2.gz MWDLWXJEOJGGJI-IYBDPMFKSA-N 1 3 317.477 2.741 20 0 DFADHO Cc1ccnc(NC[C@H]2CC[N@@H+](CC[C@@H]3CCCN3C)C2)c1 ZINC000371204548 150002139 /nfs/dbraw/zinc/00/21/39/150002139.db2.gz IFSJFZKVKJONMK-SJORKVTESA-N 1 3 302.466 2.608 20 0 DFADHO Cc1ccnc(NC[C@H]2CC[N@H+](CC[C@@H]3CCCN3C)C2)c1 ZINC000371204548 150002143 /nfs/dbraw/zinc/00/21/43/150002143.db2.gz IFSJFZKVKJONMK-SJORKVTESA-N 1 3 302.466 2.608 20 0 DFADHO Cc1ccnc(NC[C@H]2CCN(CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000371204548 150002145 /nfs/dbraw/zinc/00/21/45/150002145.db2.gz IFSJFZKVKJONMK-SJORKVTESA-N 1 3 302.466 2.608 20 0 DFADHO Cc1ccnc(NC[C@H]2CCN(CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000371204548 150002149 /nfs/dbraw/zinc/00/21/49/150002149.db2.gz IFSJFZKVKJONMK-SJORKVTESA-N 1 3 302.466 2.608 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H](c3ccccc3)C3CC3)C2)CC1 ZINC000371401522 150038524 /nfs/dbraw/zinc/03/85/24/150038524.db2.gz POIQXRPODXCEIG-QUCCMNQESA-N 1 3 313.489 2.896 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCc4cnccn4)[C@@H]3C2)cc1 ZINC000371665296 150077639 /nfs/dbraw/zinc/07/76/39/150077639.db2.gz LSBZPLLZCAQDBI-DFQSSKMNSA-N 1 3 322.456 2.519 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCCc4cnccn4)[C@@H]3C2)cc1 ZINC000371665296 150077643 /nfs/dbraw/zinc/07/76/43/150077643.db2.gz LSBZPLLZCAQDBI-DFQSSKMNSA-N 1 3 322.456 2.519 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCCc4cnccn4)[C@@H]3C2)cc1 ZINC000371665296 150077645 /nfs/dbraw/zinc/07/76/45/150077645.db2.gz LSBZPLLZCAQDBI-DFQSSKMNSA-N 1 3 322.456 2.519 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000371727770 150088018 /nfs/dbraw/zinc/08/80/18/150088018.db2.gz LSZQNDAYFOPQKH-SWLSCSKDSA-N 1 3 305.397 2.531 20 0 DFADHO CCCCNC(=[NH2+])NCC1CCN(Cc2ccccc2F)CC1 ZINC000371878350 150107191 /nfs/dbraw/zinc/10/71/91/150107191.db2.gz LWUPUAISGTUURL-UHFFFAOYSA-N 1 3 320.456 2.952 20 0 DFADHO Cc1ccnc(NC[C@H]2CCN(CCC[NH+]3CCCCC3)C2)c1 ZINC000372506657 150177391 /nfs/dbraw/zinc/17/73/91/150177391.db2.gz PIUMNRXYVATRNA-GOSISDBHSA-N 1 3 316.493 3.000 20 0 DFADHO Cc1ccnc(NC[C@H]2CC[N@H+](CCCN3CCCCC3)C2)c1 ZINC000372506657 150177392 /nfs/dbraw/zinc/17/73/92/150177392.db2.gz PIUMNRXYVATRNA-GOSISDBHSA-N 1 3 316.493 3.000 20 0 DFADHO Cc1ccnc(NC[C@H]2CC[N@@H+](CCCN3CCCCC3)C2)c1 ZINC000372506657 150177393 /nfs/dbraw/zinc/17/73/93/150177393.db2.gz PIUMNRXYVATRNA-GOSISDBHSA-N 1 3 316.493 3.000 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000372781930 150184473 /nfs/dbraw/zinc/18/44/73/150184473.db2.gz PMFCNRKJFFFFID-SCTDSRPQSA-N 1 3 301.478 2.894 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000372781930 150184475 /nfs/dbraw/zinc/18/44/75/150184475.db2.gz PMFCNRKJFFFFID-SCTDSRPQSA-N 1 3 301.478 2.894 20 0 DFADHO CSC[C@H](O)C[N@@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000372922631 150202761 /nfs/dbraw/zinc/20/27/61/150202761.db2.gz IZPBODNYYUMFEB-ZWKOTPCHSA-N 1 3 322.518 2.697 20 0 DFADHO CSC[C@H](O)C[N@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000372922631 150202764 /nfs/dbraw/zinc/20/27/64/150202764.db2.gz IZPBODNYYUMFEB-ZWKOTPCHSA-N 1 3 322.518 2.697 20 0 DFADHO Cc1nccc(CN2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000351684066 286192510 /nfs/dbraw/zinc/19/25/10/286192510.db2.gz DNZPHIKMNSEIKW-UHFFFAOYSA-N 1 3 302.466 2.873 20 0 DFADHO N[C@H](CC(=O)N1CCCc2cc(C[NH3+])ccc21)c1ccccc1 ZINC000378202028 150769411 /nfs/dbraw/zinc/76/94/11/150769411.db2.gz PKHWJJFFJHZXJD-QGZVFWFLSA-N 1 3 309.413 2.515 20 0 DFADHO C[C@H](F)CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000351886214 286237412 /nfs/dbraw/zinc/23/74/12/286237412.db2.gz CESJXVHHOGPYCI-JYJNAYRXSA-N 1 3 300.462 2.946 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000352022998 286272168 /nfs/dbraw/zinc/27/21/68/286272168.db2.gz STLWEWLKXRWCCC-HKUYNNGSSA-N 1 3 300.446 2.992 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000352022998 286272169 /nfs/dbraw/zinc/27/21/69/286272169.db2.gz STLWEWLKXRWCCC-HKUYNNGSSA-N 1 3 300.446 2.992 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000352156353 286307320 /nfs/dbraw/zinc/30/73/20/286307320.db2.gz JIZGCWPWYQQXQQ-HOTGVXAUSA-N 1 3 311.514 2.780 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000352172848 286311671 /nfs/dbraw/zinc/31/16/71/286311671.db2.gz XJXCLTSOODJVJO-MSOLQXFVSA-N 1 3 319.493 2.881 20 0 DFADHO NCCC[N@H+](CCC(=O)Nc1cccc(F)c1)CC1CCCC1 ZINC000352519276 286395917 /nfs/dbraw/zinc/39/59/17/286395917.db2.gz NETXUCPKGNCCEN-UHFFFAOYSA-N 1 3 321.440 2.995 20 0 DFADHO NCCC[N@@H+](CCC(=O)Nc1cccc(F)c1)CC1CCCC1 ZINC000352519276 286395918 /nfs/dbraw/zinc/39/59/18/286395918.db2.gz NETXUCPKGNCCEN-UHFFFAOYSA-N 1 3 321.440 2.995 20 0 DFADHO [NH3+]CCCN(CCC(=O)Nc1cccc(F)c1)CC1CCCC1 ZINC000352519276 286395920 /nfs/dbraw/zinc/39/59/20/286395920.db2.gz NETXUCPKGNCCEN-UHFFFAOYSA-N 1 3 321.440 2.995 20 0 DFADHO Cn1cc([C@H](NCCCC[NH+](C)C)c2cccc(F)c2)cn1 ZINC000352557090 286406762 /nfs/dbraw/zinc/40/67/62/286406762.db2.gz JHTZSBQKWGMETH-QGZVFWFLSA-N 1 3 304.413 2.580 20 0 DFADHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)cc1 ZINC000429512568 296747490 /nfs/dbraw/zinc/74/74/90/296747490.db2.gz ZGNNNIHJZQEBDC-DEYYWGMASA-N 1 3 311.429 2.659 20 0 DFADHO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC[C@H]1CCCN1C ZINC000246566112 158095040 /nfs/dbraw/zinc/09/50/40/158095040.db2.gz AXWUEFVYPVULAQ-DOTOQJQBSA-N 1 3 313.449 2.744 20 0 DFADHO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[C@H]1CCCN1C ZINC000246566112 158095043 /nfs/dbraw/zinc/09/50/43/158095043.db2.gz AXWUEFVYPVULAQ-DOTOQJQBSA-N 1 3 313.449 2.744 20 0 DFADHO COCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000246920741 158105800 /nfs/dbraw/zinc/10/58/00/158105800.db2.gz GBOUKCCCKFIMDE-SOLBZPMBSA-N 1 3 320.477 2.839 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2ccccc2OC)[C@@H](C)C1 ZINC000247037593 158115366 /nfs/dbraw/zinc/11/53/66/158115366.db2.gz LPHKUJVRBUQDGI-XHSDSOJGSA-N 1 3 306.450 2.782 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](C)Oc2ccccc2OC)[C@@H](C)C1 ZINC000247037593 158115369 /nfs/dbraw/zinc/11/53/69/158115369.db2.gz LPHKUJVRBUQDGI-XHSDSOJGSA-N 1 3 306.450 2.782 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCCOC)cc2)C1 ZINC000247060545 158117255 /nfs/dbraw/zinc/11/72/55/158117255.db2.gz NTSFWCVSBZYTRF-CVEARBPZSA-N 1 3 306.450 2.704 20 0 DFADHO CC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)COC1 ZINC000248391067 158170110 /nfs/dbraw/zinc/17/01/10/158170110.db2.gz BXRDSAIHPOVZNF-IPMKNSEASA-N 1 3 314.473 2.913 20 0 DFADHO Cc1ccc(C)c(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000355061712 158264320 /nfs/dbraw/zinc/26/43/20/158264320.db2.gz GOCKKVZUYVTKBY-SFHVURJKSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1ccc(C)c(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000355061712 158264321 /nfs/dbraw/zinc/26/43/21/158264321.db2.gz GOCKKVZUYVTKBY-SFHVURJKSA-N 1 3 315.505 2.904 20 0 DFADHO C[C@@H](c1ccc(F)cc1)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000355072343 158267605 /nfs/dbraw/zinc/26/76/05/158267605.db2.gz RLUUREFUDQDOTB-HOTGVXAUSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@@H](c1ccc(F)cc1)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000355072343 158267608 /nfs/dbraw/zinc/26/76/08/158267608.db2.gz RLUUREFUDQDOTB-HOTGVXAUSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@@H](c1ccc(F)cc1)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355072343 158267612 /nfs/dbraw/zinc/26/76/12/158267612.db2.gz RLUUREFUDQDOTB-HOTGVXAUSA-N 1 3 319.468 2.987 20 0 DFADHO [NH3+]CCOCCN1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000357082965 158362815 /nfs/dbraw/zinc/36/28/15/158362815.db2.gz IANMADLYWAUSTF-UHFFFAOYSA-N 1 3 323.824 2.636 20 0 DFADHO Cn1cc(CN2CCC3(CC[NH2+]C3)CC2)c(-c2cccs2)n1 ZINC000430958906 296815334 /nfs/dbraw/zinc/81/53/34/296815334.db2.gz ZVQWHAJTMXXYPO-UHFFFAOYSA-N 1 3 316.474 2.724 20 0 DFADHO Fc1ccc(OCCN2CCC3(CC[NH2+]C3)CC2)c(Cl)c1 ZINC000431028358 296818325 /nfs/dbraw/zinc/81/83/25/296818325.db2.gz PMZSBBKUSYCELX-UHFFFAOYSA-N 1 3 312.816 2.933 20 0 DFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@](C)(O)C1 ZINC000129518961 196054438 /nfs/dbraw/zinc/05/44/38/196054438.db2.gz HHHRPXIJLDNUBG-LJQANCHMSA-N 1 3 304.478 2.991 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@](C)(O)C1 ZINC000129518961 196054440 /nfs/dbraw/zinc/05/44/40/196054440.db2.gz HHHRPXIJLDNUBG-LJQANCHMSA-N 1 3 304.478 2.991 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000129584197 196059975 /nfs/dbraw/zinc/05/99/75/196059975.db2.gz FYIPUUHHMYPZEL-QXSJWSMHSA-N 1 3 306.450 2.781 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000129584197 196059976 /nfs/dbraw/zinc/05/99/76/196059976.db2.gz FYIPUUHHMYPZEL-QXSJWSMHSA-N 1 3 306.450 2.781 20 0 DFADHO C[C@H](C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1)N(C)C1CC1 ZINC000130875855 196118907 /nfs/dbraw/zinc/11/89/07/196118907.db2.gz ZFTVOFNEDCBLPB-HZPDHXFCSA-N 1 3 319.493 2.760 20 0 DFADHO CCC[C@@H](C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1)N(C)C ZINC000131589851 196182346 /nfs/dbraw/zinc/18/23/46/196182346.db2.gz RJAKIHGMIFZCBV-SFHVURJKSA-N 1 3 319.493 2.827 20 0 DFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C(C)C)N(C)C ZINC000131596719 196182429 /nfs/dbraw/zinc/18/24/29/196182429.db2.gz KIHQZDAXGCJRCU-SFHVURJKSA-N 1 3 319.493 2.683 20 0 DFADHO COc1ccc([C@H](C)[NH2+]CC(C)(C)CN(C)C)cc1NC(C)=O ZINC000132158093 196231396 /nfs/dbraw/zinc/23/13/96/196231396.db2.gz PJTKGOXXXUMKBR-ZDUSSCGKSA-N 1 3 321.465 2.892 20 0 DFADHO CC(C)[NH+](CCCNC[C@@H]1CCO[C@H]1c1nccn1C)C(C)C ZINC000667896084 543698839 /nfs/dbraw/zinc/69/88/39/543698839.db2.gz JFCPVOIYBIGIPS-DLBZAZTESA-N 1 3 322.497 2.596 20 0 DFADHO C[NH+](C)CCCC1CCN(C(=O)Nc2cccc(CN)c2)CC1 ZINC000667723912 543666814 /nfs/dbraw/zinc/66/68/14/543666814.db2.gz NMMRYEJOMNNYDV-UHFFFAOYSA-N 1 3 318.465 2.731 20 0 DFADHO NCc1cccc(NC(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000667727591 543668017 /nfs/dbraw/zinc/66/80/17/543668017.db2.gz CDHMXXPGOKUYNF-UHFFFAOYSA-N 1 3 318.465 2.923 20 0 DFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc(CN)c1 ZINC000667731601 543668691 /nfs/dbraw/zinc/66/86/91/543668691.db2.gz YDGYTXMDERZRHF-QLFBSQMISA-N 1 3 318.465 2.633 20 0 DFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc(CN)c1 ZINC000667731601 543668692 /nfs/dbraw/zinc/66/86/92/543668692.db2.gz YDGYTXMDERZRHF-QLFBSQMISA-N 1 3 318.465 2.633 20 0 DFADHO NCc1cccc(NC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000667732530 543669067 /nfs/dbraw/zinc/66/90/67/543669067.db2.gz LVRWHRWQNZYRTF-UHFFFAOYSA-N 1 3 304.438 2.533 20 0 DFADHO CN(C)C[C@H](NC(=O)Nc1cccc(C[NH3+])c1)c1ccccc1 ZINC000667732850 543669079 /nfs/dbraw/zinc/66/90/79/543669079.db2.gz UPTPUKJFZBYBOR-KRWDZBQOSA-N 1 3 312.417 2.570 20 0 DFADHO CC1=CC[C@@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CC1 ZINC000668488605 543814031 /nfs/dbraw/zinc/81/40/31/543814031.db2.gz CWEAMHVBNSTGGX-RTBURBONSA-N 1 3 300.446 2.842 20 0 DFADHO C[NH+](C)CCC[C@@H]1CN(C[C@@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000668785856 543867547 /nfs/dbraw/zinc/86/75/47/543867547.db2.gz ZIGLXGSDYJAWQA-IPMKNSEASA-N 1 3 302.462 2.833 20 0 DFADHO C[C@H]1C[C@@H](NCC2CCN(c3cc[nH+]cc3)CC2)c2nccn21 ZINC000296670292 226107291 /nfs/dbraw/zinc/10/72/91/226107291.db2.gz FVKVQRBMPCWJLP-WMLDXEAASA-N 1 3 311.433 2.790 20 0 DFADHO C[C@@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)C(C)(C)C ZINC000670266955 544031455 /nfs/dbraw/zinc/03/14/55/544031455.db2.gz JNQBPVLRCBNFLY-KRWDZBQOSA-N 1 3 318.509 2.866 20 0 DFADHO CN1CCCN(CCC[NH2+]Cc2ccc3occc3c2)CC1 ZINC000671708295 544099896 /nfs/dbraw/zinc/09/98/96/544099896.db2.gz CWZDIWIKPNCWHJ-UHFFFAOYSA-N 1 3 301.434 2.550 20 0 DFADHO c1n[nH]cc1CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000297566250 227311537 /nfs/dbraw/zinc/31/15/37/227311537.db2.gz CMYSXGOYHFODBJ-VQTJNVASSA-N 1 3 324.472 2.939 20 0 DFADHO c1n[nH]cc1CC[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000297566250 227311541 /nfs/dbraw/zinc/31/15/41/227311541.db2.gz CMYSXGOYHFODBJ-VQTJNVASSA-N 1 3 324.472 2.939 20 0 DFADHO Cc1cc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)n[nH]1 ZINC000675891833 544342452 /nfs/dbraw/zinc/34/24/52/544342452.db2.gz BKGDONZDHCRUMN-AWEZNQCLSA-N 1 3 302.422 2.509 20 0 DFADHO CC(=O)N1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@@H](C)C1 ZINC000675916226 544344289 /nfs/dbraw/zinc/34/42/89/544344289.db2.gz YOYALDMTSBPXIP-KXBFYZLASA-N 1 3 321.509 2.630 20 0 DFADHO Cc1nc([C@@H](C)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C)s1 ZINC000676489001 544379619 /nfs/dbraw/zinc/37/96/19/544379619.db2.gz GUSVFLPHEAMKQT-IUODEOHRSA-N 1 3 322.522 2.579 20 0 DFADHO Cc1nc([C@@H](C)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C)s1 ZINC000676489001 544379621 /nfs/dbraw/zinc/37/96/21/544379621.db2.gz GUSVFLPHEAMKQT-IUODEOHRSA-N 1 3 322.522 2.579 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCOc4ccccc43)CC[C@H]21 ZINC000678340892 544654558 /nfs/dbraw/zinc/65/45/58/544654558.db2.gz SDHFYAYQJXKSGW-JFIYKMOQSA-N 1 3 300.446 2.969 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCOc4ccccc43)CC[C@H]21 ZINC000678340892 544654562 /nfs/dbraw/zinc/65/45/62/544654562.db2.gz SDHFYAYQJXKSGW-JFIYKMOQSA-N 1 3 300.446 2.969 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H]3CCOc4ccccc43)CC[C@H]21 ZINC000678340892 544654565 /nfs/dbraw/zinc/65/45/65/544654565.db2.gz SDHFYAYQJXKSGW-JFIYKMOQSA-N 1 3 300.446 2.969 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(C[C@H]3CCOc4ccccc43)CC[C@H]21 ZINC000678340892 544654569 /nfs/dbraw/zinc/65/45/69/544654569.db2.gz SDHFYAYQJXKSGW-JFIYKMOQSA-N 1 3 300.446 2.969 20 0 DFADHO CC[C@@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C1CCCCC1 ZINC000678895042 544745634 /nfs/dbraw/zinc/74/56/34/544745634.db2.gz KNRIGIPWDSHFSA-GOSISDBHSA-N 1 3 321.509 2.678 20 0 DFADHO CCN1C[C@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000679074964 544779362 /nfs/dbraw/zinc/77/93/62/544779362.db2.gz FVYJFJJNGFSMLA-BXWFABGCSA-N 1 3 319.493 2.618 20 0 DFADHO CCN1C[C@H](C)[C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000679074232 544779621 /nfs/dbraw/zinc/77/96/21/544779621.db2.gz AFMSBZCFQZDTLH-DKKFBQAASA-N 1 3 307.526 2.959 20 0 DFADHO CC1(C)[C@H](O)C[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000679375397 544844661 /nfs/dbraw/zinc/84/46/61/544844661.db2.gz ZOOILHVOWDOXPF-QZTJIDSGSA-N 1 3 302.462 2.922 20 0 DFADHO CC[NH+](CC)CCOc1ccc(CNC2CSC2)cc1OC ZINC000679624523 544883926 /nfs/dbraw/zinc/88/39/26/544883926.db2.gz BJNDCSXRYPDLOX-UHFFFAOYSA-N 1 3 324.490 2.621 20 0 DFADHO COc1c(C)cnc(CN2CCC(CC[NH+](C)C)CC2)c1C ZINC000067227165 425909068 /nfs/dbraw/zinc/90/90/68/425909068.db2.gz ZPPHPQHFKFTTBU-UHFFFAOYSA-N 1 3 305.466 2.871 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000124487010 425921677 /nfs/dbraw/zinc/92/16/77/425921677.db2.gz ARRADPMDIJOXLM-QZTJIDSGSA-N 1 3 323.525 2.735 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000124487010 425921678 /nfs/dbraw/zinc/92/16/78/425921678.db2.gz ARRADPMDIJOXLM-QZTJIDSGSA-N 1 3 323.525 2.735 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2F)CC1 ZINC000155578674 425922106 /nfs/dbraw/zinc/92/21/06/425922106.db2.gz HHOCTJWDZYZDKL-LSDHHAIUSA-N 1 3 323.456 2.511 20 0 DFADHO CCc1cc(NCC2CC[NH+](CCO)CC2)c2ccccc2n1 ZINC000124734778 425935066 /nfs/dbraw/zinc/93/50/66/425935066.db2.gz FPFJKDFVOKFEBZ-UHFFFAOYSA-N 1 3 313.445 2.913 20 0 DFADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000193144967 268060079 /nfs/dbraw/zinc/06/00/79/268060079.db2.gz IVGMUVXZTGDSNF-GDBMZVCRSA-N 1 3 305.466 2.936 20 0 DFADHO CN(C)Cc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000193950139 268084815 /nfs/dbraw/zinc/08/48/15/268084815.db2.gz FZEAMWRSKSGLEX-FGTMMUONSA-N 1 3 300.446 2.795 20 0 DFADHO Cc1cc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc(C)c1OC(F)F ZINC000194541321 268106633 /nfs/dbraw/zinc/10/66/33/268106633.db2.gz BQSVUVPEEFBVGH-GASCZTMLSA-N 1 3 310.388 2.898 20 0 DFADHO Cc1cc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc(C)c1OC(F)F ZINC000194541321 268106634 /nfs/dbraw/zinc/10/66/34/268106634.db2.gz BQSVUVPEEFBVGH-GASCZTMLSA-N 1 3 310.388 2.898 20 0 DFADHO CCCC[C@@H](N)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000236773238 268150152 /nfs/dbraw/zinc/15/01/52/268150152.db2.gz BIXIKNGONNDTPJ-QGZVFWFLSA-N 1 3 305.466 2.661 20 0 DFADHO CCCC[C@@H](N)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000236773238 268150154 /nfs/dbraw/zinc/15/01/54/268150154.db2.gz BIXIKNGONNDTPJ-QGZVFWFLSA-N 1 3 305.466 2.661 20 0 DFADHO COc1ccc(Br)cc1CNCC[C@H]1CC[NH2+]C1 ZINC000259042506 268168547 /nfs/dbraw/zinc/16/85/47/268168547.db2.gz PTSOATARUPXZPE-LLVKDONJSA-N 1 3 313.239 2.547 20 0 DFADHO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1Br ZINC000259152420 268168834 /nfs/dbraw/zinc/16/88/34/268168834.db2.gz VDAQIDALJOQVJZ-CHWSQXEVSA-N 1 3 313.239 2.817 20 0 DFADHO Cc1nccn1CC[N@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000270675317 268199612 /nfs/dbraw/zinc/19/96/12/268199612.db2.gz SIOGCCJPNIGIHA-KRWDZBQOSA-N 1 3 312.461 2.788 20 0 DFADHO Cc1nccn1CC[N@@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000270675317 268199615 /nfs/dbraw/zinc/19/96/15/268199615.db2.gz SIOGCCJPNIGIHA-KRWDZBQOSA-N 1 3 312.461 2.788 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccccn1 ZINC000270954916 268239814 /nfs/dbraw/zinc/23/98/14/268239814.db2.gz WDWNPKITHSOOHU-MRXNPFEDSA-N 1 3 313.445 2.915 20 0 DFADHO Cc1cccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c1F ZINC000295919452 268297250 /nfs/dbraw/zinc/29/72/50/268297250.db2.gz DXGMNZBTWLCDEF-UHFFFAOYSA-N 1 3 319.468 2.594 20 0 DFADHO C[C@H](CCNC[C@@H](O)CC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000307935312 268334664 /nfs/dbraw/zinc/33/46/64/268334664.db2.gz DRVKMASVQNXIFG-HIFRSBDPSA-N 1 3 318.383 2.800 20 0 DFADHO C[C@H](CCNC[C@@H](O)CC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000307935312 268334665 /nfs/dbraw/zinc/33/46/65/268334665.db2.gz DRVKMASVQNXIFG-HIFRSBDPSA-N 1 3 318.383 2.800 20 0 DFADHO CCC[NH+]1CCC(N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000309834703 268336196 /nfs/dbraw/zinc/33/61/96/268336196.db2.gz UDHWQCYTFAPAMZ-KGLIPLIRSA-N 1 3 313.486 2.752 20 0 DFADHO CC[C@H](C(=O)NC[C@@H](c1ccsc1)N(CC)CC)[NH+](C)C ZINC000124790466 425938919 /nfs/dbraw/zinc/93/89/19/425938919.db2.gz MNWOXFUCLJDKOC-CABCVRRESA-N 1 3 311.495 2.587 20 0 DFADHO CCOC(=O)CCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103228041 425939300 /nfs/dbraw/zinc/93/93/00/425939300.db2.gz RLYXINBRFKAJDK-UHFFFAOYSA-N 1 3 318.461 2.784 20 0 DFADHO CCOC(=O)CCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103228041 425939302 /nfs/dbraw/zinc/93/93/02/425939302.db2.gz RLYXINBRFKAJDK-UHFFFAOYSA-N 1 3 318.461 2.784 20 0 DFADHO CSCCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000157920762 425941189 /nfs/dbraw/zinc/94/11/89/425941189.db2.gz MFMKMZMAFRXRFZ-GASCZTMLSA-N 1 3 300.512 2.561 20 0 DFADHO Cc1cnn(CCCCC[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000158832509 425948061 /nfs/dbraw/zinc/94/80/61/425948061.db2.gz OUPWMACZPLCEOV-MSOLQXFVSA-N 1 3 304.482 2.778 20 0 DFADHO Cc1cnn(CCCCC[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000158832509 425948064 /nfs/dbraw/zinc/94/80/64/425948064.db2.gz OUPWMACZPLCEOV-MSOLQXFVSA-N 1 3 304.482 2.778 20 0 DFADHO CCCCNC(=O)[C@@H]1CC[C@H](C)N(CCC[NH+]2CCCCC2)C1 ZINC000125005338 425949818 /nfs/dbraw/zinc/94/98/18/425949818.db2.gz UGLVYIRWNYVDOH-ZWKOTPCHSA-N 1 3 323.525 2.879 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000125095517 425953041 /nfs/dbraw/zinc/95/30/41/425953041.db2.gz QSQMYZLTHZCUTA-FSZRXZPDSA-N 1 3 306.450 2.781 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000125095517 425953044 /nfs/dbraw/zinc/95/30/44/425953044.db2.gz QSQMYZLTHZCUTA-FSZRXZPDSA-N 1 3 306.450 2.781 20 0 DFADHO COC[C@@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000125340040 425966248 /nfs/dbraw/zinc/96/62/48/425966248.db2.gz RDENGTMQKRYZSO-GOSISDBHSA-N 1 3 319.493 2.522 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccccc2Cl)C1 ZINC000070174122 425969424 /nfs/dbraw/zinc/96/94/24/425969424.db2.gz GMBUBVOVNHVZNV-CHWSQXEVSA-N 1 3 309.841 2.728 20 0 DFADHO C[C@H]([NH2+]CC1CCN(Cc2cccs2)CC1)[C@@H]1CCOC1 ZINC000125457304 425973163 /nfs/dbraw/zinc/97/31/63/425973163.db2.gz NXUSYHPXGNKQCF-GOEBONIOSA-N 1 3 308.491 2.975 20 0 DFADHO C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(C[NH+](C)C)cc1 ZINC000109075850 426027542 /nfs/dbraw/zinc/02/75/42/426027542.db2.gz RURGWFWJMGFQNX-AWEZNQCLSA-N 1 3 306.450 2.958 20 0 DFADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000109075850 426027545 /nfs/dbraw/zinc/02/75/45/426027545.db2.gz RURGWFWJMGFQNX-AWEZNQCLSA-N 1 3 306.450 2.958 20 0 DFADHO CN(C)Cc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161775429 426038550 /nfs/dbraw/zinc/03/85/50/426038550.db2.gz ALXANXTUBHMJOL-UHFFFAOYSA-N 1 3 304.434 2.524 20 0 DFADHO CC[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@H]1CCOC1 ZINC000162581445 426069633 /nfs/dbraw/zinc/06/96/33/426069633.db2.gz RDUROMDMZXOFEO-FUHWJXTLSA-N 1 3 306.450 2.532 20 0 DFADHO CC(C)Oc1cccc([C@@H](O)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000128266167 426110235 /nfs/dbraw/zinc/11/02/35/426110235.db2.gz SFKIFWLRPPXFCT-KYJSFNMBSA-N 1 3 306.450 2.580 20 0 DFADHO CC(C)Oc1cccc([C@@H](O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000128266167 426110238 /nfs/dbraw/zinc/11/02/38/426110238.db2.gz SFKIFWLRPPXFCT-KYJSFNMBSA-N 1 3 306.450 2.580 20 0 DFADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000164350229 426113417 /nfs/dbraw/zinc/11/34/17/426113417.db2.gz HFSHFXHYJVBMGF-DLBZAZTESA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000164350229 426113421 /nfs/dbraw/zinc/11/34/21/426113421.db2.gz HFSHFXHYJVBMGF-DLBZAZTESA-N 1 3 317.477 2.531 20 0 DFADHO C[N@H+](CCCF)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000128529223 426121563 /nfs/dbraw/zinc/12/15/63/426121563.db2.gz ILBYYNYIPJNSAF-GOSISDBHSA-N 1 3 308.441 2.723 20 0 DFADHO C[N@@H+](CCCF)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000128529223 426121565 /nfs/dbraw/zinc/12/15/65/426121565.db2.gz ILBYYNYIPJNSAF-GOSISDBHSA-N 1 3 308.441 2.723 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3ccc(C)cc32)CC1 ZINC000166145656 426125660 /nfs/dbraw/zinc/12/56/60/426125660.db2.gz JJCJBXZNLSXWEG-FQEVSTJZSA-N 1 3 315.505 2.990 20 0 DFADHO FC(F)(F)COCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075835787 426086640 /nfs/dbraw/zinc/08/66/40/426086640.db2.gz TXRRVNVLSQOJMU-CQSZACIVSA-N 1 3 308.388 2.763 20 0 DFADHO FC(F)(F)COCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075835787 426086643 /nfs/dbraw/zinc/08/66/43/426086643.db2.gz TXRRVNVLSQOJMU-CQSZACIVSA-N 1 3 308.388 2.763 20 0 DFADHO Cn1cc(CN2CCCN(c3cc[nH+]c4ccccc43)CC2)cn1 ZINC000115517528 426166172 /nfs/dbraw/zinc/16/61/72/426166172.db2.gz FRWUWIYXWDXCGC-UHFFFAOYSA-N 1 3 321.428 2.681 20 0 DFADHO C[C@@H]([NH2+]CCc1cccnc1)c1cccc(OCCN(C)C)c1 ZINC000133482310 426179841 /nfs/dbraw/zinc/17/98/41/426179841.db2.gz JSNROONMVUKKAD-MRXNPFEDSA-N 1 3 313.445 2.915 20 0 DFADHO COc1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1F ZINC000150961887 426268741 /nfs/dbraw/zinc/26/87/41/426268741.db2.gz QXVMRSCSTPKGAU-AWEZNQCLSA-N 1 3 323.456 2.511 20 0 DFADHO CCc1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)s1 ZINC000150999836 426272233 /nfs/dbraw/zinc/27/22/33/426272233.db2.gz OTDZLCJOIOFHJP-AWEZNQCLSA-N 1 3 309.523 2.987 20 0 DFADHO CC(C)CC[C@H]1CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135318060 426213148 /nfs/dbraw/zinc/21/31/48/426213148.db2.gz RCFWOVIGJOJHOU-GOSISDBHSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@@H]([NH2+]CCc1ccccn1)c1cccc(OCCN(C)C)c1 ZINC000151405852 426294983 /nfs/dbraw/zinc/29/49/83/426294983.db2.gz OJRFNCVEFPHQJI-MRXNPFEDSA-N 1 3 313.445 2.915 20 0 DFADHO N[C@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000119544087 426296013 /nfs/dbraw/zinc/29/60/13/426296013.db2.gz UDUFXGAKWDJMLP-QZTJIDSGSA-N 1 3 315.461 2.553 20 0 DFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccccc2OC)CC1 ZINC000121213990 426326378 /nfs/dbraw/zinc/32/63/78/426326378.db2.gz YJBAUZDIIFDWEP-IAGOWNOFSA-N 1 3 319.493 2.619 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000121233961 426327525 /nfs/dbraw/zinc/32/75/25/426327525.db2.gz WOVZUGXDNJEFTM-HLIPFELVSA-N 1 3 315.505 2.969 20 0 DFADHO CCC[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000121316481 426333488 /nfs/dbraw/zinc/33/34/88/426333488.db2.gz DAKWMXXVPRVARX-GOSISDBHSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000151184076 426283476 /nfs/dbraw/zinc/28/34/76/426283476.db2.gz PQZVCUXJTARPDQ-NVXWUHKLSA-N 1 3 308.466 2.685 20 0 DFADHO CC(C)[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000122829986 426397120 /nfs/dbraw/zinc/39/71/20/426397120.db2.gz VZPLBBDPJQJQSF-ILXRZTDVSA-N 1 3 313.486 2.608 20 0 DFADHO CC(C)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000122829986 426397123 /nfs/dbraw/zinc/39/71/23/426397123.db2.gz VZPLBBDPJQJQSF-ILXRZTDVSA-N 1 3 313.486 2.608 20 0 DFADHO CC[C@H](NCCC[N@H+](C)CCOC)c1ccc2c(c1)CCO2 ZINC000153755844 426403850 /nfs/dbraw/zinc/40/38/50/426403850.db2.gz RWFUFXUGUQRKFS-KRWDZBQOSA-N 1 3 306.450 2.631 20 0 DFADHO CC[C@H](NCCC[N@@H+](C)CCOC)c1ccc2c(c1)CCO2 ZINC000153755844 426403852 /nfs/dbraw/zinc/40/38/52/426403852.db2.gz RWFUFXUGUQRKFS-KRWDZBQOSA-N 1 3 306.450 2.631 20 0 DFADHO CC(C)OC(=O)CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122040072 426357233 /nfs/dbraw/zinc/35/72/33/426357233.db2.gz PCECNQFGVIMBNA-UHFFFAOYSA-N 1 3 310.482 2.916 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CC3=CCCOC3)CC2)C[C@H](C)O1 ZINC000093844412 426358607 /nfs/dbraw/zinc/35/86/07/426358607.db2.gz FXQQLFLPSUCJBG-CALCHBBNSA-N 1 3 322.493 2.544 20 0 DFADHO CC(C)N1CC[C@H](N2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000122158281 426361459 /nfs/dbraw/zinc/36/14/59/426361459.db2.gz HCBSQSNMKCPUSC-SFHVURJKSA-N 1 3 321.509 2.584 20 0 DFADHO CC[C@@H]1CN(CCC(=O)Nc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000122747427 426392723 /nfs/dbraw/zinc/39/27/23/426392723.db2.gz VVZJIJSEHUDKRY-OCCSQVGLSA-N 1 3 309.841 2.728 20 0 DFADHO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1OC ZINC000153840432 426408688 /nfs/dbraw/zinc/40/86/88/426408688.db2.gz YUKJBQGHIYBMKJ-SQWLQELKSA-N 1 3 306.450 2.912 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000154225412 426431930 /nfs/dbraw/zinc/43/19/30/426431930.db2.gz WDVIKRFAEWIPTG-FQEVSTJZSA-N 1 3 315.505 2.625 20 0 DFADHO CC(C)CN(C(=O)CN1CCC(CCC[NH+](C)C)CC1)C1CC1 ZINC000123501020 426436949 /nfs/dbraw/zinc/43/69/49/426436949.db2.gz UDDYQTMLUBVQIS-UHFFFAOYSA-N 1 3 323.525 2.687 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000154449435 426441929 /nfs/dbraw/zinc/44/19/29/426441929.db2.gz FWOJTNVCBGNZNO-LJQANCHMSA-N 1 3 319.468 2.820 20 0 DFADHO CC(C)n1cc2c(n1)C[C@@H](NC1CC[NH+](C(C)C)CC1)CC2 ZINC000341280184 269059114 /nfs/dbraw/zinc/05/91/14/269059114.db2.gz MYQQAAOJJNIFMD-KRWDZBQOSA-N 1 3 304.482 2.784 20 0 DFADHO FC(F)CN1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000341315833 269067638 /nfs/dbraw/zinc/06/76/38/269067638.db2.gz RYUVJDBGPAKCBU-UHFFFAOYSA-N 1 3 315.452 2.713 20 0 DFADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000177229530 426457321 /nfs/dbraw/zinc/45/73/21/426457321.db2.gz GAGZILGEYVEMHI-QGZVFWFLSA-N 1 3 301.478 2.977 20 0 DFADHO CC(C)[NH+]1CCC(N[C@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000124132860 426471124 /nfs/dbraw/zinc/47/11/24/426471124.db2.gz VNWKTYFTHQFPCK-KRWDZBQOSA-N 1 3 315.461 2.534 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000124212567 426475008 /nfs/dbraw/zinc/47/50/08/426475008.db2.gz YSPSOPZFQDKLMQ-HKUYNNGSSA-N 1 3 301.478 2.677 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000124212567 426475010 /nfs/dbraw/zinc/47/50/10/426475010.db2.gz YSPSOPZFQDKLMQ-HKUYNNGSSA-N 1 3 301.478 2.677 20 0 DFADHO COCC[C@H](C)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000124378551 426482482 /nfs/dbraw/zinc/48/24/82/426482482.db2.gz ZQALHCJSQFREDS-INIZCTEOSA-N 1 3 320.477 2.922 20 0 DFADHO C[C@H]([NH2+]CCCn1ccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272378395 426511300 /nfs/dbraw/zinc/51/13/00/426511300.db2.gz BLYZKIICOGYAQU-PKOBYXMFSA-N 1 3 312.461 2.773 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272392642 426514925 /nfs/dbraw/zinc/51/49/25/426514925.db2.gz YCOUZKAIWSPOPQ-RYRKJORJSA-N 1 3 312.461 2.981 20 0 DFADHO C[C@@H]1OCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272456127 426529285 /nfs/dbraw/zinc/52/92/85/426529285.db2.gz XCNQNKFNMJDUGX-HZZCBIDNSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@@H]1OCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272456127 426529289 /nfs/dbraw/zinc/52/92/89/426529289.db2.gz XCNQNKFNMJDUGX-HZZCBIDNSA-N 1 3 300.446 2.949 20 0 DFADHO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000186491770 426537198 /nfs/dbraw/zinc/53/71/98/426537198.db2.gz WGVLVCPONYWKJS-QRBHQTINSA-N 1 3 306.450 2.605 20 0 DFADHO C[C@H]1CN(CCC2CC[NH+](CCOCC3CC3)CC2)C[C@H](C)O1 ZINC000177484582 426489057 /nfs/dbraw/zinc/48/90/57/426489057.db2.gz WJPKVXVRIMSXML-IRXDYDNUSA-N 1 3 324.509 2.624 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)O1 ZINC000177484359 426489091 /nfs/dbraw/zinc/48/90/91/426489091.db2.gz RMTKSUACZDHMGQ-CALCHBBNSA-N 1 3 324.509 2.624 20 0 DFADHO CCO[C@H]1C[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C12CCOCC2 ZINC000186211998 426493931 /nfs/dbraw/zinc/49/39/31/426493931.db2.gz FWLYRCDMLBQOOU-CVEARBPZSA-N 1 3 324.509 2.859 20 0 DFADHO CCO[C@H]1C[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C12CCOCC2 ZINC000186211998 426493933 /nfs/dbraw/zinc/49/39/33/426493933.db2.gz FWLYRCDMLBQOOU-CVEARBPZSA-N 1 3 324.509 2.859 20 0 DFADHO C[C@@H](CCC1CC1)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000186312361 426501866 /nfs/dbraw/zinc/50/18/66/426501866.db2.gz GUODAPUBDFGRJF-HNNXBMFYSA-N 1 3 317.477 2.646 20 0 DFADHO C[C@@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000186321364 426505128 /nfs/dbraw/zinc/50/51/28/426505128.db2.gz FSNRUUGKPDLDJO-OWYHZJEWSA-N 1 3 301.478 2.894 20 0 DFADHO C[C@@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000186321364 426505131 /nfs/dbraw/zinc/50/51/31/426505131.db2.gz FSNRUUGKPDLDJO-OWYHZJEWSA-N 1 3 301.478 2.894 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1C ZINC000273053647 426583162 /nfs/dbraw/zinc/58/31/62/426583162.db2.gz KFAYQOOPNXKOJA-QGZVFWFLSA-N 1 3 319.493 2.682 20 0 DFADHO Cc1cccc(CC2(O)CC[NH+](CC[C@@H]3CCCN3C)CC2)c1 ZINC000280592208 426609308 /nfs/dbraw/zinc/60/93/08/426609308.db2.gz UIYYEVYKDQCKKF-IBGZPJMESA-N 1 3 316.489 2.849 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCc2c1ccc(OC)c2F ZINC000289272085 426617832 /nfs/dbraw/zinc/61/78/32/426617832.db2.gz PIMYAAXIKFPEPL-CZUORRHYSA-N 1 3 324.440 2.768 20 0 DFADHO Brc1ccc(CCN[C@@H]2CCC[NH2+]CC2)s1 ZINC000226359623 426619512 /nfs/dbraw/zinc/61/95/12/426619512.db2.gz MCUHHDGWYVWJOW-SNVBAGLBSA-N 1 3 303.269 2.785 20 0 DFADHO COCCCCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280362729 426558494 /nfs/dbraw/zinc/55/84/94/426558494.db2.gz JAADIRSNJOIYIR-KDURUIRLSA-N 1 3 302.462 2.867 20 0 DFADHO COCCCCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280362729 426558501 /nfs/dbraw/zinc/55/85/01/426558501.db2.gz JAADIRSNJOIYIR-KDURUIRLSA-N 1 3 302.462 2.867 20 0 DFADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1cnn(C)c1 ZINC000272562499 426559028 /nfs/dbraw/zinc/55/90/28/426559028.db2.gz NXDIRDIXOXFNFD-MFHCWRBVSA-N 1 3 324.472 2.981 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000273284881 426636404 /nfs/dbraw/zinc/63/64/04/426636404.db2.gz XEOWUMZUCNGZQQ-CQSZACIVSA-N 1 3 305.466 2.531 20 0 DFADHO C[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1nccs1 ZINC000235480500 426661159 /nfs/dbraw/zinc/66/11/59/426661159.db2.gz CJLQCQGEIDUKFL-CYBMUJFWSA-N 1 3 302.447 2.900 20 0 DFADHO c1ccc(CN2CCC([NH2+][C@@H]3CCN4CCCC[C@@H]34)CC2)cc1 ZINC000236681505 426675486 /nfs/dbraw/zinc/67/54/86/426675486.db2.gz KGFDHEAQMWXIPI-UXHICEINSA-N 1 3 313.489 2.867 20 0 DFADHO C[C@@H](CNC[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000187708589 426687570 /nfs/dbraw/zinc/68/75/70/426687570.db2.gz JTDGSJBXZSKANX-YOEHRIQHSA-N 1 3 310.869 2.880 20 0 DFADHO CC(C)[C@H](N)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000178742083 426685648 /nfs/dbraw/zinc/68/56/48/426685648.db2.gz OUXLWWSWBWSTOL-KRWDZBQOSA-N 1 3 303.450 2.984 20 0 DFADHO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000290145211 426703027 /nfs/dbraw/zinc/70/30/27/426703027.db2.gz KYBJVUJHGOXVDX-QWXYKEQDSA-N 1 3 302.462 2.910 20 0 DFADHO N[C@@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000237874305 426697624 /nfs/dbraw/zinc/69/76/24/426697624.db2.gz MNERGXUIQCEPTI-ROUUACIJSA-N 1 3 315.461 2.553 20 0 DFADHO CC(=O)Nc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000290512835 426781784 /nfs/dbraw/zinc/78/17/84/426781784.db2.gz PREYIKVNMFDFJY-FUHWJXTLSA-N 1 3 301.434 2.561 20 0 DFADHO CC(=O)Nc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000290512835 426781789 /nfs/dbraw/zinc/78/17/89/426781789.db2.gz PREYIKVNMFDFJY-FUHWJXTLSA-N 1 3 301.434 2.561 20 0 DFADHO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000290512835 426781793 /nfs/dbraw/zinc/78/17/93/426781793.db2.gz PREYIKVNMFDFJY-FUHWJXTLSA-N 1 3 301.434 2.561 20 0 DFADHO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000290512835 426781796 /nfs/dbraw/zinc/78/17/96/426781796.db2.gz PREYIKVNMFDFJY-FUHWJXTLSA-N 1 3 301.434 2.561 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000179398813 426785798 /nfs/dbraw/zinc/78/57/98/426785798.db2.gz QFHHGBUVWAZJJA-GOSISDBHSA-N 1 3 321.509 2.585 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C1(C)C ZINC000245949661 426786978 /nfs/dbraw/zinc/78/69/78/426786978.db2.gz WHIHQPXGKCRYKE-LUKYLMHMSA-N 1 3 312.498 2.669 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000290274255 426730399 /nfs/dbraw/zinc/73/03/99/426730399.db2.gz YTOQLVXHKZZRQA-UAGQMJEPSA-N 1 3 317.477 2.620 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC1CCN(Cc2ccccn2)CC1 ZINC000290312820 426739249 /nfs/dbraw/zinc/73/92/49/426739249.db2.gz ZXQOELPHBYFGRB-QGZVFWFLSA-N 1 3 318.509 2.756 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC1CCN(Cc2ccccn2)CC1 ZINC000290312820 426739254 /nfs/dbraw/zinc/73/92/54/426739254.db2.gz ZXQOELPHBYFGRB-QGZVFWFLSA-N 1 3 318.509 2.756 20 0 DFADHO O=C(C1CC[NH+](CCCN2CCCC2)CC1)N1CCCCCC1 ZINC000179156043 426760557 /nfs/dbraw/zinc/76/05/57/426760557.db2.gz HDIPFWULWTZQPN-UHFFFAOYSA-N 1 3 321.509 2.587 20 0 DFADHO CCC[C@H](C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)N(C)C ZINC000274596557 426798742 /nfs/dbraw/zinc/79/87/42/426798742.db2.gz LNQNKAZEOHOXMK-UAGQMJEPSA-N 1 3 305.466 2.524 20 0 DFADHO C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)N1CCCCCC1 ZINC000246721746 426858017 /nfs/dbraw/zinc/85/80/17/426858017.db2.gz LWKLZXLBHCUFQC-IRXDYDNUSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)N1CCCCCC1 ZINC000246721746 426858023 /nfs/dbraw/zinc/85/80/23/426858023.db2.gz LWKLZXLBHCUFQC-IRXDYDNUSA-N 1 3 309.498 2.632 20 0 DFADHO COC1(C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CCC1 ZINC000180196247 426844698 /nfs/dbraw/zinc/84/46/98/426844698.db2.gz YDATUJPKPPNEPA-OAHLLOKOSA-N 1 3 306.450 2.847 20 0 DFADHO C[C@@H](CNC[C@H](O)C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000295342955 426917345 /nfs/dbraw/zinc/91/73/45/426917345.db2.gz BJJDMDQPAFYXSD-GUYCJALGSA-N 1 3 312.404 2.505 20 0 DFADHO Cc1cccc(CCCN(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000181202603 426924369 /nfs/dbraw/zinc/92/43/69/426924369.db2.gz OPINAZKKNYSSQT-UHFFFAOYSA-N 1 3 317.521 2.885 20 0 DFADHO Cc1cccc(CCCN(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000181202603 426924377 /nfs/dbraw/zinc/92/43/77/426924377.db2.gz OPINAZKKNYSSQT-UHFFFAOYSA-N 1 3 317.521 2.885 20 0 DFADHO C[C@@H](CC(N)=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000267289606 426864280 /nfs/dbraw/zinc/86/42/80/426864280.db2.gz XLYHCHZCHOPJRQ-XHSDSOJGSA-N 1 3 317.477 2.518 20 0 DFADHO C[C@@H](CC(N)=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000267289606 426864286 /nfs/dbraw/zinc/86/42/86/426864286.db2.gz XLYHCHZCHOPJRQ-XHSDSOJGSA-N 1 3 317.477 2.518 20 0 DFADHO CN1CC[C@@H](C[N@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000275542097 426868328 /nfs/dbraw/zinc/86/83/28/426868328.db2.gz SSLUBDOYXVYOCA-IUODEOHRSA-N 1 3 316.367 2.622 20 0 DFADHO CN1CC[C@@H](C[N@@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000275542097 426868333 /nfs/dbraw/zinc/86/83/33/426868333.db2.gz SSLUBDOYXVYOCA-IUODEOHRSA-N 1 3 316.367 2.622 20 0 DFADHO CCCN1CC[C@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282293561 426874230 /nfs/dbraw/zinc/87/42/30/426874230.db2.gz QQOUOYFKSBSWPC-CQSZACIVSA-N 1 3 318.490 2.970 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CC[C@@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000189519097 426878459 /nfs/dbraw/zinc/87/84/59/426878459.db2.gz JTFUIEIKABOBRH-LMMKCTJWSA-N 1 3 324.509 2.767 20 0 DFADHO CCN(CCN[C@@H]1CC[N@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000246971229 426886921 /nfs/dbraw/zinc/88/69/21/426886921.db2.gz JLGNAWJGALMVGR-LSDHHAIUSA-N 1 3 313.486 2.563 20 0 DFADHO CCN(CCN[C@@H]1CC[N@@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000246971229 426886929 /nfs/dbraw/zinc/88/69/29/426886929.db2.gz JLGNAWJGALMVGR-LSDHHAIUSA-N 1 3 313.486 2.563 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@H](C)C2 ZINC000282397560 426902172 /nfs/dbraw/zinc/90/21/72/426902172.db2.gz RLWPLWAPKIEHDT-QFBILLFUSA-N 1 3 315.505 2.844 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)CN1Cc1ccccc1 ZINC000247139854 426906391 /nfs/dbraw/zinc/90/63/91/426906391.db2.gz QTIYVGYNRMSCCF-QKMNUUQDSA-N 1 3 315.505 2.968 20 0 DFADHO C[C@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)CN(C)C ZINC000291674928 426949145 /nfs/dbraw/zinc/94/91/45/426949145.db2.gz GZYIQHDQDFEXIT-MRXNPFEDSA-N 1 3 321.484 2.620 20 0 DFADHO C[C@@H](C[NH2+]Cc1cccc(OCc2ccccn2)c1)CN(C)C ZINC000291687477 426952701 /nfs/dbraw/zinc/95/27/01/426952701.db2.gz IOBVKNPBQJUDBD-INIZCTEOSA-N 1 3 313.445 2.948 20 0 DFADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000319128014 426960840 /nfs/dbraw/zinc/96/08/40/426960840.db2.gz RJGGBBGTNAXYLW-AWEZNQCLSA-N 1 3 300.450 2.956 20 0 DFADHO C[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)N1[C@H](C)CC[C@@H]1C ZINC000275844504 426930464 /nfs/dbraw/zinc/93/04/64/426930464.db2.gz KBACNBULUWMOJQ-XHSDSOJGSA-N 1 3 317.477 2.991 20 0 DFADHO C[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)N1[C@H](C)CC[C@@H]1C ZINC000275844503 426930587 /nfs/dbraw/zinc/93/05/87/426930587.db2.gz KBACNBULUWMOJQ-OWCLPIDISA-N 1 3 317.477 2.991 20 0 DFADHO C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000291623107 426931853 /nfs/dbraw/zinc/93/18/53/426931853.db2.gz HBFCNFCVKXARMC-KXBFYZLASA-N 1 3 317.477 2.526 20 0 DFADHO CCC[C@@H](C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C)N(C)C ZINC000337953390 427055525 /nfs/dbraw/zinc/05/55/25/427055525.db2.gz YTFGUOFMDAHUMP-ROUUACIJSA-N 1 3 319.493 2.698 20 0 DFADHO O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000292011129 427056111 /nfs/dbraw/zinc/05/61/11/427056111.db2.gz DFYUVHARDQKVNP-CABCVRRESA-N 1 3 321.490 2.533 20 0 DFADHO CC(=O)Nc1ccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000181925816 426995634 /nfs/dbraw/zinc/99/56/34/426995634.db2.gz OHHCTWDUWFQODT-CYBMUJFWSA-N 1 3 301.434 2.922 20 0 DFADHO CC(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248406185 426996936 /nfs/dbraw/zinc/99/69/36/426996936.db2.gz BRGYAFVFNIOCQH-UAFMIMERSA-N 1 3 316.489 2.894 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(Cl)c(F)c2)CC1 ZINC000268411076 427011469 /nfs/dbraw/zinc/01/14/69/427011469.db2.gz HYKDRDJASIYUHG-UHFFFAOYSA-N 1 3 314.832 2.804 20 0 DFADHO NC1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCC1 ZINC000295942674 427022029 /nfs/dbraw/zinc/02/20/29/427022029.db2.gz GJZFHZSQIGTXBS-UHFFFAOYSA-N 1 3 315.461 2.560 20 0 DFADHO Cc1cncc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000248708818 427035533 /nfs/dbraw/zinc/03/55/33/427035533.db2.gz IMYKNRXMWCRKBQ-KFKAGJAMSA-N 1 3 317.477 2.809 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000296093221 427072956 /nfs/dbraw/zinc/07/29/56/427072956.db2.gz RHWMCITXQIWXEB-CQSZACIVSA-N 1 3 318.465 2.519 20 0 DFADHO CCN1CC[C@H](C[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000249033380 427076844 /nfs/dbraw/zinc/07/68/44/427076844.db2.gz SWNQQFWCTOPUPB-GDBMZVCRSA-N 1 3 308.441 2.944 20 0 DFADHO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000249063237 427083473 /nfs/dbraw/zinc/08/34/73/427083473.db2.gz PZGQHVQFRBDEEC-BHYGNILZSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@H](CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000338002924 427088335 /nfs/dbraw/zinc/08/83/35/427088335.db2.gz SSDWUOKPPAZSFT-UUAJXVIYSA-N 1 3 309.498 2.627 20 0 DFADHO C[C@H](CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)[N@H+]1CCCC[C@H]1C ZINC000338002924 427088341 /nfs/dbraw/zinc/08/83/41/427088341.db2.gz SSDWUOKPPAZSFT-UUAJXVIYSA-N 1 3 309.498 2.627 20 0 DFADHO CCC[NH+]1CCC(NCc2ccccc2Cn2ccnc2)CC1 ZINC000268778412 427112106 /nfs/dbraw/zinc/11/21/06/427112106.db2.gz SJKHYDNYZSYWPD-UHFFFAOYSA-N 1 3 312.461 2.895 20 0 DFADHO CCCN1CCC([NH2+]Cc2ccccc2Cn2ccnc2)CC1 ZINC000268778412 427112111 /nfs/dbraw/zinc/11/21/11/427112111.db2.gz SJKHYDNYZSYWPD-UHFFFAOYSA-N 1 3 312.461 2.895 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(OCCN(C)C)cc1 ZINC000268809362 427125023 /nfs/dbraw/zinc/12/50/23/427125023.db2.gz NLOIJTUXTCILTE-QAPCUYQASA-N 1 3 306.450 2.847 20 0 DFADHO C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000296295566 427140861 /nfs/dbraw/zinc/14/08/61/427140861.db2.gz FPZZMDILQSFGQD-HUUCEWRRSA-N 1 3 308.466 2.827 20 0 DFADHO COC[C@H](NCCC1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182837868 427154169 /nfs/dbraw/zinc/15/41/69/427154169.db2.gz LUUOCMIRINVTAK-KRWDZBQOSA-N 1 3 312.404 2.974 20 0 DFADHO CCc1nc(C2CC[NH+](CCCCn3ccnc3C)CC2)n[nH]1 ZINC000190658464 427154401 /nfs/dbraw/zinc/15/44/01/427154401.db2.gz KJDMGRSEADAMJJ-UHFFFAOYSA-N 1 3 316.453 2.532 20 0 DFADHO C[C@H]1CC[C@H](C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)O1 ZINC000190651737 427154591 /nfs/dbraw/zinc/15/45/91/427154591.db2.gz SVBZBWDTWFYUHY-IMBTUZDBSA-N 1 3 324.509 2.765 20 0 DFADHO CN(C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000121098726 271019380 /nfs/dbraw/zinc/01/93/80/271019380.db2.gz IYVJSGQETONJHL-KURKYZTESA-N 1 3 300.446 2.795 20 0 DFADHO C[C@@H]1CCCCN1CCC[NH2+]CCCNC(=O)OC(C)(C)C ZINC000227403580 271235822 /nfs/dbraw/zinc/23/58/22/271235822.db2.gz PVFOVDNZHLCHGH-OAHLLOKOSA-N 1 3 313.486 2.755 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCNCCCNC(=O)OC(C)(C)C ZINC000227403580 271235825 /nfs/dbraw/zinc/23/58/25/271235825.db2.gz PVFOVDNZHLCHGH-OAHLLOKOSA-N 1 3 313.486 2.755 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCNCCCNC(=O)OC(C)(C)C ZINC000227403580 271235826 /nfs/dbraw/zinc/23/58/26/271235826.db2.gz PVFOVDNZHLCHGH-OAHLLOKOSA-N 1 3 313.486 2.755 20 0 DFADHO O[C@H](CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000252692420 271267573 /nfs/dbraw/zinc/26/75/73/271267573.db2.gz LVKRIKHFMKWDBV-YTQUADARSA-N 1 3 300.446 2.669 20 0 DFADHO O[C@H](CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000252692420 271267576 /nfs/dbraw/zinc/26/75/76/271267576.db2.gz LVKRIKHFMKWDBV-YTQUADARSA-N 1 3 300.446 2.669 20 0 DFADHO CC[C@H](C(=O)NCc1cccc(C[N@H+](C)CC)c1)N(CC)CC ZINC000265431222 271281947 /nfs/dbraw/zinc/28/19/47/271281947.db2.gz MZHRXFULGJFOJS-GOSISDBHSA-N 1 3 319.493 2.875 20 0 DFADHO CC[C@H](C(=O)NCc1cccc(C[N@@H+](C)CC)c1)N(CC)CC ZINC000265431222 271281952 /nfs/dbraw/zinc/28/19/52/271281952.db2.gz MZHRXFULGJFOJS-GOSISDBHSA-N 1 3 319.493 2.875 20 0 DFADHO CC[C@@H](COC)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284285009 427171807 /nfs/dbraw/zinc/17/18/07/427171807.db2.gz HVCAPUFBYLYLOZ-INIZCTEOSA-N 1 3 306.450 2.674 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183192620 427219286 /nfs/dbraw/zinc/21/92/86/427219286.db2.gz NHPLMEHOGVAICF-YESZJQIVSA-N 1 3 323.525 2.876 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183192620 427219296 /nfs/dbraw/zinc/21/92/96/427219296.db2.gz NHPLMEHOGVAICF-YESZJQIVSA-N 1 3 323.525 2.876 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183192620 427219304 /nfs/dbraw/zinc/21/93/04/427219304.db2.gz NHPLMEHOGVAICF-YESZJQIVSA-N 1 3 323.525 2.876 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000338199955 427188970 /nfs/dbraw/zinc/18/89/70/427188970.db2.gz PBWCWEBWJQONBI-GUYCJALGSA-N 1 3 323.431 2.568 20 0 DFADHO CN1CCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292894204 427205621 /nfs/dbraw/zinc/20/56/21/427205621.db2.gz ZABPZQFLLREPNW-MSOLQXFVSA-N 1 3 302.462 2.964 20 0 DFADHO COCC(C)(C)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000293249334 427262235 /nfs/dbraw/zinc/26/22/35/427262235.db2.gz BNSJIFTWSNQKMU-OAHLLOKOSA-N 1 3 308.466 2.950 20 0 DFADHO CN(C)Cc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000285724639 427318775 /nfs/dbraw/zinc/31/87/75/427318775.db2.gz QKANHDMXEPEHEM-SFYZZRBRSA-N 1 3 315.461 2.840 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cnn(C(C)C)c1C ZINC000191333963 427322430 /nfs/dbraw/zinc/32/24/30/427322430.db2.gz OJZOMVLAVPGYQB-GOEBONIOSA-N 1 3 310.486 2.780 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000285744912 427326435 /nfs/dbraw/zinc/32/64/35/427326435.db2.gz RIZZBIQRGBBLIU-GOEBONIOSA-N 1 3 320.477 2.875 20 0 DFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(CO)CC1 ZINC000271031291 427379731 /nfs/dbraw/zinc/37/97/31/427379731.db2.gz HKFITHJSAHOERQ-UHFFFAOYSA-N 1 3 304.478 2.849 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(CO)CC1 ZINC000271031291 427379736 /nfs/dbraw/zinc/37/97/36/427379736.db2.gz HKFITHJSAHOERQ-UHFFFAOYSA-N 1 3 304.478 2.849 20 0 DFADHO C[C@]1(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCCCN1 ZINC000262959421 427385204 /nfs/dbraw/zinc/38/52/04/427385204.db2.gz JXUVVLDSBVQCMJ-CQSZACIVSA-N 1 3 315.339 2.635 20 0 DFADHO CCn1nccc1CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000338573263 427389377 /nfs/dbraw/zinc/38/93/77/427389377.db2.gz UFBILZKXCUUKSI-HZPDHXFCSA-N 1 3 304.482 2.688 20 0 DFADHO CCn1nccc1CCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338573263 427389385 /nfs/dbraw/zinc/38/93/85/427389385.db2.gz UFBILZKXCUUKSI-HZPDHXFCSA-N 1 3 304.482 2.688 20 0 DFADHO CCn1nccc1CCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338573263 427389392 /nfs/dbraw/zinc/38/93/92/427389392.db2.gz UFBILZKXCUUKSI-HZPDHXFCSA-N 1 3 304.482 2.688 20 0 DFADHO CC(C)[C@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CCO1 ZINC000297297781 427392856 /nfs/dbraw/zinc/39/28/56/427392856.db2.gz AXXAUHWIZXRMMK-FUHWJXTLSA-N 1 3 303.450 2.844 20 0 DFADHO CO[C@@H](C)[C@H](C)[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000191655423 427397767 /nfs/dbraw/zinc/39/77/67/427397767.db2.gz KYBJVUJHGOXVDX-FQQAFBJJSA-N 1 3 302.462 2.910 20 0 DFADHO FC(F)(F)c1ccnc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000293711887 427412528 /nfs/dbraw/zinc/41/25/28/427412528.db2.gz MWMLCVWTXVBKQC-HUUCEWRRSA-N 1 3 313.367 2.859 20 0 DFADHO FC(F)(F)c1ccnc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000293711887 427412535 /nfs/dbraw/zinc/41/25/35/427412535.db2.gz MWMLCVWTXVBKQC-HUUCEWRRSA-N 1 3 313.367 2.859 20 0 DFADHO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000293872096 427470609 /nfs/dbraw/zinc/47/06/09/427470609.db2.gz YGCPONLMJIQDKU-IQZDNPOKSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@H]1OCC[C@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000293872096 427470618 /nfs/dbraw/zinc/47/06/18/427470618.db2.gz YGCPONLMJIQDKU-IQZDNPOKSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@H]1OCC[C@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000293872096 427470622 /nfs/dbraw/zinc/47/06/22/427470622.db2.gz YGCPONLMJIQDKU-IQZDNPOKSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000338780727 427484112 /nfs/dbraw/zinc/48/41/12/427484112.db2.gz AAKOTQJMVYSWCL-SXLOBPIMSA-N 1 3 315.505 2.796 20 0 DFADHO C[C@@H](NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338783715 427484301 /nfs/dbraw/zinc/48/43/01/427484301.db2.gz HCCBNNVMFNOLQW-RSPOEFSDSA-N 1 3 316.489 2.861 20 0 DFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338691029 427441174 /nfs/dbraw/zinc/44/11/74/427441174.db2.gz WLZCZUNPRUKULY-PWIZWCRZSA-N 1 3 315.505 2.794 20 0 DFADHO c1cc(N2CCC([NH2+]C[C@H]3CCCCN3C3CC3)CC2)ccn1 ZINC000298048527 427510599 /nfs/dbraw/zinc/51/05/99/427510599.db2.gz IHPMRGOLAXBVEH-LJQANCHMSA-N 1 3 314.477 2.657 20 0 DFADHO CC[N@@H+]1CCCN(c2ccnc3cc(OC)c(OC)cc32)CC1 ZINC000298095138 427519926 /nfs/dbraw/zinc/51/99/26/427519926.db2.gz AAHBDRSFAUXPQZ-UHFFFAOYSA-N 1 3 315.417 2.784 20 0 DFADHO CC[N@H+]1CCCN(c2ccnc3cc(OC)c(OC)cc32)CC1 ZINC000298095138 427519934 /nfs/dbraw/zinc/51/99/34/427519934.db2.gz AAHBDRSFAUXPQZ-UHFFFAOYSA-N 1 3 315.417 2.784 20 0 DFADHO c1ccc(N2CC[C@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000294121046 427555679 /nfs/dbraw/zinc/55/56/79/427555679.db2.gz DQBLXWKMBRKETE-SFHVURJKSA-N 1 3 322.456 2.919 20 0 DFADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(N2CCCOC2=O)cc1 ZINC000294073435 427539894 /nfs/dbraw/zinc/53/98/94/427539894.db2.gz HYBWQNCHVLUDSR-LSDHHAIUSA-N 1 3 319.449 2.882 20 0 DFADHO c1ccc(CN2CCC[C@@H]3C[N@@H+]([C@H]4CCOC4)CC[C@H]32)cc1 ZINC000271456370 427544481 /nfs/dbraw/zinc/54/44/81/427544481.db2.gz VXPDXTPHRFXALH-CEXWTWQISA-N 1 3 300.446 2.762 20 0 DFADHO c1ccc(CN2CCC[C@@H]3C[N@H+]([C@H]4CCOC4)CC[C@H]32)cc1 ZINC000271456370 427544487 /nfs/dbraw/zinc/54/44/87/427544487.db2.gz VXPDXTPHRFXALH-CEXWTWQISA-N 1 3 300.446 2.762 20 0 DFADHO COCc1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298255040 427549642 /nfs/dbraw/zinc/54/96/42/427549642.db2.gz DWBLIXFVMRPJKY-UHFFFAOYSA-N 1 3 311.429 2.987 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C)C2)c(-c2ccnn2C)c1 ZINC000338937608 427569935 /nfs/dbraw/zinc/56/99/35/427569935.db2.gz TUFCFFNSPOAKDY-INIZCTEOSA-N 1 3 312.461 2.779 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C)C2)c(-c2ccnn2C)c1 ZINC000338937608 427569940 /nfs/dbraw/zinc/56/99/40/427569940.db2.gz TUFCFFNSPOAKDY-INIZCTEOSA-N 1 3 312.461 2.779 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000271538379 427578882 /nfs/dbraw/zinc/57/88/82/427578882.db2.gz YAUIZUDYHBQXBZ-CVEARBPZSA-N 1 3 316.449 2.563 20 0 DFADHO C[C@H](Cn1cccn1)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000271538379 427578889 /nfs/dbraw/zinc/57/88/89/427578889.db2.gz YAUIZUDYHBQXBZ-CVEARBPZSA-N 1 3 316.449 2.563 20 0 DFADHO c1cn(Cc2ccccc2CNC2CC[NH+](C3CC3)CC2)cn1 ZINC000298348273 427580919 /nfs/dbraw/zinc/58/09/19/427580919.db2.gz JOSLBRIUMUBYJB-UHFFFAOYSA-N 1 3 310.445 2.648 20 0 DFADHO CCc1ccc([C@H]([NH2+]CC2(O)CCN(C)CC2)C(C)C)cc1 ZINC000271774225 427586844 /nfs/dbraw/zinc/58/68/44/427586844.db2.gz UUICJJIXJNLBDE-GOSISDBHSA-N 1 3 304.478 2.992 20 0 DFADHO C[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000192734354 427599053 /nfs/dbraw/zinc/59/90/53/427599053.db2.gz OQHSZRSEKPWBEQ-INIZCTEOSA-N 1 3 312.461 2.983 20 0 DFADHO C[C@@H]1[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000287408632 427601805 /nfs/dbraw/zinc/60/18/05/427601805.db2.gz RIHLFEMZNWGQSG-RSPOEFSDSA-N 1 3 313.489 2.866 20 0 DFADHO C[C@@H]1[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000287408632 427601811 /nfs/dbraw/zinc/60/18/11/427601811.db2.gz RIHLFEMZNWGQSG-RSPOEFSDSA-N 1 3 313.489 2.866 20 0 DFADHO CC(C)Oc1ccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000192873238 427628146 /nfs/dbraw/zinc/62/81/46/427628146.db2.gz JRYJTEBUEXXEAR-PHSGOXPASA-N 1 3 318.461 2.722 20 0 DFADHO O[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000298522144 427636880 /nfs/dbraw/zinc/63/68/80/427636880.db2.gz RMWAPLYYLZVXJO-GOSISDBHSA-N 1 3 303.450 2.581 20 0 DFADHO CN(C)[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)c1ccccc1 ZINC000185352203 427640135 /nfs/dbraw/zinc/64/01/35/427640135.db2.gz OSHUFPLKOHPQRZ-KRWDZBQOSA-N 1 3 317.477 2.705 20 0 DFADHO Cc1c(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cnn1C ZINC000272183549 427665598 /nfs/dbraw/zinc/66/55/98/427665598.db2.gz KRAMTENQFKGFRN-CRAIPNDOSA-N 1 3 312.461 2.729 20 0 DFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1cc(Cl)cs1 ZINC000193097199 427665654 /nfs/dbraw/zinc/66/56/54/427665654.db2.gz HTFMNGMMGAYAJM-ZDUSSCGKSA-N 1 3 302.871 2.728 20 0 DFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1cc(Cl)cs1 ZINC000193097199 427665658 /nfs/dbraw/zinc/66/56/58/427665658.db2.gz HTFMNGMMGAYAJM-ZDUSSCGKSA-N 1 3 302.871 2.728 20 0 DFADHO CCC[C@H]([NH2+]CCCN1CCCN(C)CC1)c1cccnc1 ZINC000185366656 427642584 /nfs/dbraw/zinc/64/25/84/427642584.db2.gz FNHBPIQQHYLAGS-SFHVURJKSA-N 1 3 304.482 2.540 20 0 DFADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000294903906 427666025 /nfs/dbraw/zinc/66/60/25/427666025.db2.gz ZMLIPWGZKFALNM-DOTOQJQBSA-N 1 3 305.466 2.574 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000287632470 427658836 /nfs/dbraw/zinc/65/88/36/427658836.db2.gz UGPQEFMAAILBCX-SOLBZPMBSA-N 1 3 320.477 2.950 20 0 DFADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccncc1OCCN(C)C ZINC000342413696 272007777 /nfs/dbraw/zinc/00/77/77/272007777.db2.gz IWTMZBCFNXLBOV-HOCLYGCPSA-N 1 3 305.466 2.936 20 0 DFADHO Cc1c(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cnn1C ZINC000272183553 427664631 /nfs/dbraw/zinc/66/46/31/427664631.db2.gz KRAMTENQFKGFRN-QAPCUYQASA-N 1 3 312.461 2.729 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)[C@@H]1CCCO1 ZINC000342812195 272057083 /nfs/dbraw/zinc/05/70/83/272057083.db2.gz JSSHGOPDVVTOQJ-KXBFYZLASA-N 1 3 318.461 2.817 20 0 DFADHO C[C@H]([NH2+]CC1=CCCOC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272218237 427676082 /nfs/dbraw/zinc/67/60/82/427676082.db2.gz RMJYHPVYMQDUOI-QFBILLFUSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@H](NCC1=CCCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272218237 427676089 /nfs/dbraw/zinc/67/60/89/427676089.db2.gz RMJYHPVYMQDUOI-QFBILLFUSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@H](NCC1=CCCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272218237 427676096 /nfs/dbraw/zinc/67/60/96/427676096.db2.gz RMJYHPVYMQDUOI-QFBILLFUSA-N 1 3 300.446 2.833 20 0 DFADHO CCc1c(C)[nH+]c2ccccc2c1NC[C@@H]1CN(C)CCN1C ZINC000272222370 427676291 /nfs/dbraw/zinc/67/62/91/427676291.db2.gz NVQHQTGTZHUAGT-OAHLLOKOSA-N 1 3 312.461 2.763 20 0 DFADHO CCc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000343693493 272202651 /nfs/dbraw/zinc/20/26/51/272202651.db2.gz BWXHOWMOLKJKJL-KRWDZBQOSA-N 1 3 315.505 2.849 20 0 DFADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccncc1OCCN(C)C ZINC000343920962 272238333 /nfs/dbraw/zinc/23/83/33/272238333.db2.gz DJQKNZAXOQIIIJ-HWWDLCQESA-N 1 3 305.466 2.936 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000344106995 272264641 /nfs/dbraw/zinc/26/46/41/272264641.db2.gz UREJQYKVWZPOLP-IRXDYDNUSA-N 1 3 303.450 2.690 20 0 DFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(OC)cc1 ZINC000344151646 272275598 /nfs/dbraw/zinc/27/55/98/272275598.db2.gz SYGLJYVQSOZNNE-UHFFFAOYSA-N 1 3 319.493 2.545 20 0 DFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(OC)cc1 ZINC000344151646 272275601 /nfs/dbraw/zinc/27/56/01/272275601.db2.gz SYGLJYVQSOZNNE-UHFFFAOYSA-N 1 3 319.493 2.545 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171402 272280033 /nfs/dbraw/zinc/28/00/33/272280033.db2.gz RVTYITIDCQMCGX-OALUTQOASA-N 1 3 320.452 2.537 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171402 272280034 /nfs/dbraw/zinc/28/00/34/272280034.db2.gz RVTYITIDCQMCGX-OALUTQOASA-N 1 3 320.452 2.537 20 0 DFADHO Cn1cccc1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000344310414 272309335 /nfs/dbraw/zinc/30/93/35/272309335.db2.gz UEIGIARQBUJFLD-UHFFFAOYSA-N 1 3 313.445 2.790 20 0 DFADHO C[C@@H]([NH3+])CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000193313856 427683674 /nfs/dbraw/zinc/68/36/74/427683674.db2.gz DEHNEPPIGZXATQ-SOLBZPMBSA-N 1 3 317.477 2.625 20 0 DFADHO C[C@@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)N1CCCCCC1 ZINC000344593472 272343444 /nfs/dbraw/zinc/34/34/44/272343444.db2.gz DLJCKLORWQKHKZ-WMZOPIPTSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344719594 272359834 /nfs/dbraw/zinc/35/98/34/272359834.db2.gz YMHDFVGOSHJPIE-IAGOWNOFSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344719594 272359838 /nfs/dbraw/zinc/35/98/38/272359838.db2.gz YMHDFVGOSHJPIE-IAGOWNOFSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCC=CO3)CC2)C[C@H](C)O1 ZINC000193809175 427714627 /nfs/dbraw/zinc/71/46/27/427714627.db2.gz OURSFYVGURDQDD-JZXOWHBKSA-N 1 3 308.466 2.500 20 0 DFADHO Cc1nccn1CCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000336854362 427760518 /nfs/dbraw/zinc/76/05/18/427760518.db2.gz DTTOQKRFXJPDIJ-AEFFLSMTSA-N 1 3 304.482 2.778 20 0 DFADHO Cc1nccn1CCN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000336854362 427760521 /nfs/dbraw/zinc/76/05/21/427760521.db2.gz DTTOQKRFXJPDIJ-AEFFLSMTSA-N 1 3 304.482 2.778 20 0 DFADHO C[NH+](C)CCOCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000336866434 427766641 /nfs/dbraw/zinc/76/66/41/427766641.db2.gz WODRNSFKAIPLAW-UHFFFAOYSA-N 1 3 306.381 2.754 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCCN(C)C2CC2)cc1 ZINC000299626517 427766843 /nfs/dbraw/zinc/76/68/43/427766843.db2.gz FUSQHTNUBPGQBY-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCN(C)C2CC2)cc1 ZINC000299626517 427766847 /nfs/dbraw/zinc/76/68/47/427766847.db2.gz FUSQHTNUBPGQBY-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000339439575 427776201 /nfs/dbraw/zinc/77/62/01/427776201.db2.gz XAKCBIWQGXEAPY-IXDOHACOSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000339439575 427776204 /nfs/dbraw/zinc/77/62/04/427776204.db2.gz XAKCBIWQGXEAPY-IXDOHACOSA-N 1 3 321.509 2.582 20 0 DFADHO c1ccc(CN2CC[C@H](C[NH2+]C3CCN(C4CC4)CC3)C2)cc1 ZINC000336716840 427750115 /nfs/dbraw/zinc/75/01/15/427750115.db2.gz PPZLGUZVNCJSNY-GOSISDBHSA-N 1 3 313.489 2.725 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000337311220 427837224 /nfs/dbraw/zinc/83/72/24/427837224.db2.gz CAUHMPZNMVVWJW-MSOLQXFVSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000337311220 427837231 /nfs/dbraw/zinc/83/72/31/427837231.db2.gz CAUHMPZNMVVWJW-MSOLQXFVSA-N 1 3 321.509 2.630 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)COC(C)C)[C@H](C)C1 ZINC000337328687 427845933 /nfs/dbraw/zinc/84/59/33/427845933.db2.gz FBKNYFUWGJSNFQ-IKGGRYGDSA-N 1 3 300.487 2.527 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)COC(C)C)[C@H](C)C1 ZINC000337328687 427845940 /nfs/dbraw/zinc/84/59/40/427845940.db2.gz FBKNYFUWGJSNFQ-IKGGRYGDSA-N 1 3 300.487 2.527 20 0 DFADHO OCC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000359428514 427849032 /nfs/dbraw/zinc/84/90/32/427849032.db2.gz RXNMVJNKYOHLEM-LJQANCHMSA-N 1 3 324.509 2.551 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H]1CCc2ccc(OC)cc21 ZINC000349724662 427849652 /nfs/dbraw/zinc/84/96/52/427849652.db2.gz UQWKYZUVJDJXTB-GOSISDBHSA-N 1 3 306.450 2.631 20 0 DFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)N1CCCCC1 ZINC000345759661 427891822 /nfs/dbraw/zinc/89/18/22/427891822.db2.gz ZHUTUNYFQLHIDC-ROUUACIJSA-N 1 3 323.525 2.878 20 0 DFADHO CC[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(CC)CC ZINC000345783143 427903656 /nfs/dbraw/zinc/90/36/56/427903656.db2.gz JPGYRZOYSCAWLH-BRWVUGGUSA-N 1 3 311.514 2.591 20 0 DFADHO [NH3+]CCCN(CCC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000303988169 427909734 /nfs/dbraw/zinc/90/97/34/427909734.db2.gz MQRRHQUINGRNCP-UHFFFAOYSA-N 1 3 311.429 2.866 20 0 DFADHO CN1CCC[C@H](CNC(N)=[NH2+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304265043 427921064 /nfs/dbraw/zinc/92/10/64/427921064.db2.gz VBCAVCDSFPUEQS-DGCLKSJQSA-N 1 3 314.355 2.571 20 0 DFADHO CCN(CC[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340223305 427957950 /nfs/dbraw/zinc/95/79/50/427957950.db2.gz QLNDKMYAUNTWAY-MJGOQNOKSA-N 1 3 301.478 2.896 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(CC)C2)[C@@H]1Oc1ccccc1 ZINC000359660902 427959845 /nfs/dbraw/zinc/95/98/45/427959845.db2.gz MMEWTQYUGRGFCM-LULLPPNCSA-N 1 3 318.461 2.543 20 0 DFADHO CCC[C@H](C)CC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000337567133 427962260 /nfs/dbraw/zinc/96/22/60/427962260.db2.gz ALINYKFLXQPRMK-DLBZAZTESA-N 1 3 311.514 2.687 20 0 DFADHO CCC[C@H](C)CC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000337567133 427962263 /nfs/dbraw/zinc/96/22/63/427962263.db2.gz ALINYKFLXQPRMK-DLBZAZTESA-N 1 3 311.514 2.687 20 0 DFADHO Cc1cnc(CNCC2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000341055745 427984365 /nfs/dbraw/zinc/98/43/65/427984365.db2.gz YHQQPZFULUATCO-UHFFFAOYSA-N 1 3 312.461 2.730 20 0 DFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1ccsc1Cl ZINC000359731206 427992335 /nfs/dbraw/zinc/99/23/35/427992335.db2.gz AEOSGBYDGMYIQX-CYBMUJFWSA-N 1 3 302.871 2.728 20 0 DFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1ccsc1Cl ZINC000359731206 427992341 /nfs/dbraw/zinc/99/23/41/427992341.db2.gz AEOSGBYDGMYIQX-CYBMUJFWSA-N 1 3 302.871 2.728 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](c1ccco1)N1CCCCC1 ZINC000359603376 427933003 /nfs/dbraw/zinc/93/30/03/427933003.db2.gz VZIVIHLKNRMCBJ-BRWVUGGUSA-N 1 3 305.466 2.736 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](c1ccco1)N1CCCCC1 ZINC000359603376 427933008 /nfs/dbraw/zinc/93/30/08/427933008.db2.gz VZIVIHLKNRMCBJ-BRWVUGGUSA-N 1 3 305.466 2.736 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000359603376 427933011 /nfs/dbraw/zinc/93/30/11/427933011.db2.gz VZIVIHLKNRMCBJ-BRWVUGGUSA-N 1 3 305.466 2.736 20 0 DFADHO COc1cc2nccc(N[C@H]3CCC[N@H+](C)[C@@H]3C)c2cc1OC ZINC000413233384 427998851 /nfs/dbraw/zinc/99/88/51/427998851.db2.gz DFIJDQHLSFGCLA-OCCSQVGLSA-N 1 3 315.417 2.569 20 0 DFADHO COc1cc2nccc(N[C@H]3CCC[N@@H+](C)[C@@H]3C)c2cc1OC ZINC000413233384 427998857 /nfs/dbraw/zinc/99/88/57/427998857.db2.gz DFIJDQHLSFGCLA-OCCSQVGLSA-N 1 3 315.417 2.569 20 0 DFADHO CCCN1CCN(C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000369776762 428061019 /nfs/dbraw/zinc/06/10/19/428061019.db2.gz CZNVYQMIKDVFTA-SFHVURJKSA-N 1 3 305.510 2.835 20 0 DFADHO COc1cc2nccc(N3CC[NH+]4CCC3CC4)c2cc1OC ZINC000413257249 428002706 /nfs/dbraw/zinc/00/27/06/428002706.db2.gz NIRKGFXNOGOXAV-UHFFFAOYSA-N 1 3 313.401 2.536 20 0 DFADHO CCOc1ccc(OCCN2CCC(C[NH+](C)C)CC2)cc1 ZINC000341186091 428003814 /nfs/dbraw/zinc/00/38/14/428003814.db2.gz LRZKURYDCUBYHB-UHFFFAOYSA-N 1 3 306.450 2.738 20 0 DFADHO CCc1noc(C2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)n1 ZINC000369834749 428073740 /nfs/dbraw/zinc/07/37/40/428073740.db2.gz LGFYCBJEVNMUTR-FJBKBRRZSA-N 1 3 318.465 2.875 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000356233439 428080359 /nfs/dbraw/zinc/08/03/59/428080359.db2.gz OMSKCXQJQRGZPR-IBGZPJMESA-N 1 3 323.525 2.833 20 0 DFADHO Cn1cc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000377196089 428082015 /nfs/dbraw/zinc/08/20/15/428082015.db2.gz GTHNDSKLOJIHCX-UHFFFAOYSA-N 1 3 324.472 2.908 20 0 DFADHO Cn1cc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000377196089 428082018 /nfs/dbraw/zinc/08/20/18/428082018.db2.gz GTHNDSKLOJIHCX-UHFFFAOYSA-N 1 3 324.472 2.908 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000351859266 428112488 /nfs/dbraw/zinc/11/24/88/428112488.db2.gz GEDKBYKBFLLWJK-QAPCUYQASA-N 1 3 311.429 2.830 20 0 DFADHO CC[C@H](C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)N(C)C ZINC000413717082 428117425 /nfs/dbraw/zinc/11/74/25/428117425.db2.gz VLBCSKFDAWYRAB-ZWKOTPCHSA-N 1 3 319.493 2.599 20 0 DFADHO CC[C@H](C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)N(C)C ZINC000413717082 428117428 /nfs/dbraw/zinc/11/74/28/428117428.db2.gz VLBCSKFDAWYRAB-ZWKOTPCHSA-N 1 3 319.493 2.599 20 0 DFADHO CC(C)[C@@H]1C[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)CS1 ZINC000377388227 428118623 /nfs/dbraw/zinc/11/86/23/428118623.db2.gz XDXFXQCDJCKVMZ-PVAVHDDUSA-N 1 3 312.523 2.607 20 0 DFADHO CC1=C[C@@H](C)C[C@H](C[N@H+](C)CCN(C)C2CCN(C)CC2)C1 ZINC000356321544 428125596 /nfs/dbraw/zinc/12/55/96/428125596.db2.gz QJASRKWRORFTIO-AEFFLSMTSA-N 1 3 307.526 2.937 20 0 DFADHO CC1=C[C@@H](C)C[C@H](C[N@@H+](C)CCN(C)C2CCN(C)CC2)C1 ZINC000356321544 428125601 /nfs/dbraw/zinc/12/56/01/428125601.db2.gz QJASRKWRORFTIO-AEFFLSMTSA-N 1 3 307.526 2.937 20 0 DFADHO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000370110582 428137073 /nfs/dbraw/zinc/13/70/73/428137073.db2.gz ISSBBPJGVUQIPJ-WBVHZDCISA-N 1 3 317.477 2.514 20 0 DFADHO C[NH+](C)CC(C)(C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000413858446 428156948 /nfs/dbraw/zinc/15/69/48/428156948.db2.gz JBWIQWVMJVGYQP-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO Cc1cccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1C ZINC000377628940 428175896 /nfs/dbraw/zinc/17/58/96/428175896.db2.gz OYHFCHFSJPSFJK-HXUWFJFHSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1cccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1C ZINC000377628940 428175901 /nfs/dbraw/zinc/17/59/01/428175901.db2.gz OYHFCHFSJPSFJK-HXUWFJFHSA-N 1 3 315.505 2.904 20 0 DFADHO CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)[C@@H]1C[C@@H]1C ZINC000414105361 428207490 /nfs/dbraw/zinc/20/74/90/428207490.db2.gz GPYGQUFAKRPGJP-FZDIXFNVSA-N 1 3 302.462 2.777 20 0 DFADHO COc1ccc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)c(C)c1 ZINC000414123111 428211035 /nfs/dbraw/zinc/21/10/35/428211035.db2.gz OFUAEYOAMVAWQG-KRWDZBQOSA-N 1 3 319.493 2.682 20 0 DFADHO C[C@H](N[C@H]1CC[N@@H+](C2CCCCCC2)C1)C(C)(C)n1cncn1 ZINC000377740056 428213757 /nfs/dbraw/zinc/21/37/57/428213757.db2.gz BSRGTLIAPISRDO-HOTGVXAUSA-N 1 3 319.497 2.788 20 0 DFADHO C[C@H](N[C@H]1CC[N@H+](C2CCCCCC2)C1)C(C)(C)n1cncn1 ZINC000377740056 428213760 /nfs/dbraw/zinc/21/37/60/428213760.db2.gz BSRGTLIAPISRDO-HOTGVXAUSA-N 1 3 319.497 2.788 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCCO1 ZINC000346565406 428220586 /nfs/dbraw/zinc/22/05/86/428220586.db2.gz SGONGXINHZEMJZ-WDSOQIARSA-N 1 3 302.462 2.708 20 0 DFADHO C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCO1 ZINC000346565406 428220591 /nfs/dbraw/zinc/22/05/91/428220591.db2.gz SGONGXINHZEMJZ-WDSOQIARSA-N 1 3 302.462 2.708 20 0 DFADHO C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCCO1 ZINC000346565406 428220598 /nfs/dbraw/zinc/22/05/98/428220598.db2.gz SGONGXINHZEMJZ-WDSOQIARSA-N 1 3 302.462 2.708 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000414344227 428264886 /nfs/dbraw/zinc/26/48/86/428264886.db2.gz KIVZSCKUVKEFLM-HFTRVMKXSA-N 1 3 305.441 2.724 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000414344227 428264890 /nfs/dbraw/zinc/26/48/90/428264890.db2.gz KIVZSCKUVKEFLM-HFTRVMKXSA-N 1 3 305.441 2.724 20 0 DFADHO CCC[NH+]1CCC(N[C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000414346628 428266079 /nfs/dbraw/zinc/26/60/79/428266079.db2.gz MJDSGICUMXVKAY-KRWDZBQOSA-N 1 3 305.441 2.868 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNCc2ncc(CN(C)C)s2)C1 ZINC000352825603 428266594 /nfs/dbraw/zinc/26/65/94/428266594.db2.gz SRTLNMKARQMOFA-OAHLLOKOSA-N 1 3 324.538 2.806 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ncc(CN(C)C)s2)C1 ZINC000352825603 428266595 /nfs/dbraw/zinc/26/65/95/428266595.db2.gz SRTLNMKARQMOFA-OAHLLOKOSA-N 1 3 324.538 2.806 20 0 DFADHO [NH3+]CC1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000346686259 428272858 /nfs/dbraw/zinc/27/28/58/428272858.db2.gz JYYDCJDFDCWKNV-UHFFFAOYSA-N 1 3 302.340 2.798 20 0 DFADHO CC(C)[C@H](CSc1ccccc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000352788219 428248994 /nfs/dbraw/zinc/24/89/94/428248994.db2.gz JNSUVFLZOZLYGY-KRWDZBQOSA-N 1 3 322.518 2.850 20 0 DFADHO CC(=O)N1CC[C@H](N[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2C1 ZINC000352790270 428251452 /nfs/dbraw/zinc/25/14/52/428251452.db2.gz RLBWAXBSMGMVHR-FNHZYXHNSA-N 1 3 315.461 2.552 20 0 DFADHO CC(=O)N1CC[C@H](N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2C1 ZINC000352790270 428251455 /nfs/dbraw/zinc/25/14/55/428251455.db2.gz RLBWAXBSMGMVHR-FNHZYXHNSA-N 1 3 315.461 2.552 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccs2)CCN1C ZINC000370620102 428254950 /nfs/dbraw/zinc/25/49/50/428254950.db2.gz KOMKAZMPNICXGC-JYYAWHABSA-N 1 3 307.507 2.813 20 0 DFADHO CCN1CC[C@@H]([NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000414330924 428260874 /nfs/dbraw/zinc/26/08/74/428260874.db2.gz CKUQEFACDPWXJH-FXAWDEMLSA-N 1 3 315.505 2.766 20 0 DFADHO CCN1CC[C@@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000414330924 428260880 /nfs/dbraw/zinc/26/08/80/428260880.db2.gz CKUQEFACDPWXJH-FXAWDEMLSA-N 1 3 315.505 2.766 20 0 DFADHO CC(C)(C)NC(=O)CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000414330999 428261160 /nfs/dbraw/zinc/26/11/60/428261160.db2.gz JTWBJTYNLTXASP-UHFFFAOYSA-N 1 3 309.498 2.678 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@]1(CC)CC[NH2+]C1)c1ccsc1 ZINC000370847310 428308123 /nfs/dbraw/zinc/30/81/23/428308123.db2.gz RAGNYQMEQVZSOW-DOTOQJQBSA-N 1 3 323.506 2.637 20 0 DFADHO C[C@@H](C(=O)N1CCCc2cc(C[NH3+])ccc21)[C@@H](N)c1ccccc1 ZINC000378187082 428328424 /nfs/dbraw/zinc/32/84/24/428328424.db2.gz HDNPOQRIAOPUKR-AUUYWEPGSA-N 1 3 323.440 2.761 20 0 DFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cc[nH]c1 ZINC000414535080 428331279 /nfs/dbraw/zinc/33/12/79/428331279.db2.gz XPXMCDAHIWRVGY-RTBURBONSA-N 1 3 313.445 2.641 20 0 DFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cc[nH]c1 ZINC000414535080 428331284 /nfs/dbraw/zinc/33/12/84/428331284.db2.gz XPXMCDAHIWRVGY-RTBURBONSA-N 1 3 313.445 2.641 20 0 DFADHO C[C@]1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000356840453 428335630 /nfs/dbraw/zinc/33/56/30/428335630.db2.gz FLTZJFRJZSOUGP-VNTMZGSJSA-N 1 3 314.473 2.913 20 0 DFADHO Cc1cn[nH]c1CN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000414733504 428388799 /nfs/dbraw/zinc/38/87/99/428388799.db2.gz JKVONYJLRMKHGL-MJGOQNOKSA-N 1 3 312.461 2.890 20 0 DFADHO COc1ccc(CC[C@@H]2CCCC[N@@H+]2CCCN)cc1OC ZINC000414755489 428395449 /nfs/dbraw/zinc/39/54/49/428395449.db2.gz ZGAGEMJOSBJULB-INIZCTEOSA-N 1 3 306.450 2.840 20 0 DFADHO COc1ccc(CC[C@@H]2CCCC[N@H+]2CCCN)cc1OC ZINC000414755489 428395456 /nfs/dbraw/zinc/39/54/56/428395456.db2.gz ZGAGEMJOSBJULB-INIZCTEOSA-N 1 3 306.450 2.840 20 0 DFADHO COc1ccc(CC[C@@H]2CCCCN2CCC[NH3+])cc1OC ZINC000414755489 428395461 /nfs/dbraw/zinc/39/54/61/428395461.db2.gz ZGAGEMJOSBJULB-INIZCTEOSA-N 1 3 306.450 2.840 20 0 DFADHO c1nn(-c2ccccc2)cc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774046 428400046 /nfs/dbraw/zinc/40/00/46/428400046.db2.gz FCWZPWGANTXAHT-ZWKOTPCHSA-N 1 3 310.445 2.694 20 0 DFADHO CN(Cc1cncc(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000347003044 428402185 /nfs/dbraw/zinc/40/21/85/428402185.db2.gz XKBZJFVGZTYMRK-UHFFFAOYSA-N 1 3 314.408 2.964 20 0 DFADHO CN(Cc1ccccc1)[C@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC000371107444 428361317 /nfs/dbraw/zinc/36/13/17/428361317.db2.gz OCQVFEDFLNDUKF-IBGZPJMESA-N 1 3 312.461 2.870 20 0 DFADHO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000371107444 428361321 /nfs/dbraw/zinc/36/13/21/428361321.db2.gz OCQVFEDFLNDUKF-IBGZPJMESA-N 1 3 312.461 2.870 20 0 DFADHO C[NH2+][C@H](C)Cc1noc(-c2cccc(CN3CCCCC3)c2)n1 ZINC000414645020 428364149 /nfs/dbraw/zinc/36/41/49/428364149.db2.gz NBVSHMWGAFFUJI-CQSZACIVSA-N 1 3 314.433 2.873 20 0 DFADHO CCc1ccccc1NC(=O)CN(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414674786 428370019 /nfs/dbraw/zinc/37/00/19/428370019.db2.gz FDOHMAPNCBTVSJ-HUUCEWRRSA-N 1 3 303.450 2.507 20 0 DFADHO Cn1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c(C(C)(C)C)n1 ZINC000357047339 428370225 /nfs/dbraw/zinc/37/02/25/428370225.db2.gz JJTLYSRZKOXSMV-HNNXBMFYSA-N 1 3 304.482 2.539 20 0 DFADHO CCc1ccccc1NC(=O)CN(C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414674788 428371017 /nfs/dbraw/zinc/37/10/17/428371017.db2.gz FDOHMAPNCBTVSJ-LSDHHAIUSA-N 1 3 303.450 2.507 20 0 DFADHO Cn1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c(C(C)(C)C)n1 ZINC000357047341 428371869 /nfs/dbraw/zinc/37/18/69/428371869.db2.gz JJTLYSRZKOXSMV-OAHLLOKOSA-N 1 3 304.482 2.539 20 0 DFADHO CC(C)N(CCOCC[NH3+])Cc1ccc(Br)cc1 ZINC000357074739 428378799 /nfs/dbraw/zinc/37/87/99/428378799.db2.gz NHMYIEDVBTYTRJ-UHFFFAOYSA-N 1 3 315.255 2.635 20 0 DFADHO COc1ccc(C[C@@H](C)NCC2([NH3+])CCCCC2)cc1OC ZINC000414850494 428433496 /nfs/dbraw/zinc/43/34/96/428433496.db2.gz ZFZYJQOERJURMO-CQSZACIVSA-N 1 3 306.450 2.886 20 0 DFADHO CCCN(Cc1ccc(OCCOC)cc1)C1CC[NH2+]CC1 ZINC000347084936 428437641 /nfs/dbraw/zinc/43/76/41/428437641.db2.gz CLVVWKUDXKQSDE-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO CCC[N@H+](Cc1ccc(OCCOC)cc1)C1CCNCC1 ZINC000347084936 428437649 /nfs/dbraw/zinc/43/76/49/428437649.db2.gz CLVVWKUDXKQSDE-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO CCC[N@@H+](Cc1ccc(OCCOC)cc1)C1CCNCC1 ZINC000347084936 428437653 /nfs/dbraw/zinc/43/76/53/428437653.db2.gz CLVVWKUDXKQSDE-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379644470 428450420 /nfs/dbraw/zinc/45/04/20/428450420.db2.gz CIAWWLQWKFCLFH-KBAYOESNSA-N 1 3 317.477 2.529 20 0 DFADHO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379655314 428451796 /nfs/dbraw/zinc/45/17/96/428451796.db2.gz LLCUFQLWCSCUJD-ROUUACIJSA-N 1 3 317.477 2.531 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000353254466 428452582 /nfs/dbraw/zinc/45/25/82/428452582.db2.gz NXBLRCMGZJDDCR-WDYCEAGBSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@H](NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000414902368 428453303 /nfs/dbraw/zinc/45/33/03/428453303.db2.gz HFMUECPDORAXIN-NZSAHSFTSA-N 1 3 301.478 2.801 20 0 DFADHO [NH3+]CCCCNCc1cccc(Br)c1OC(F)F ZINC000414914562 428455773 /nfs/dbraw/zinc/45/57/73/428455773.db2.gz XVNJPKCBYMRUGL-UHFFFAOYSA-N 1 3 323.181 2.879 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000414929501 428459755 /nfs/dbraw/zinc/45/97/55/428459755.db2.gz RPIHFTIEPPURFN-CHWSQXEVSA-N 1 3 302.340 2.987 20 0 DFADHO CN(C(=O)CCC(C)(C)[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388557240 428465442 /nfs/dbraw/zinc/46/54/42/428465442.db2.gz YJXTYJLCTQRYTF-QGZVFWFLSA-N 1 3 317.477 2.627 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000360863042 428469553 /nfs/dbraw/zinc/46/95/53/428469553.db2.gz YQIQNLJNNWRWAO-YZGWKJHDSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)N ZINC000414803186 428415446 /nfs/dbraw/zinc/41/54/46/428415446.db2.gz LWHOGXOFSZUGJK-JTQLQIEISA-N 1 3 317.355 2.749 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414799092 428415464 /nfs/dbraw/zinc/41/54/64/428415464.db2.gz JKUVDTASYLXOCW-QFBILLFUSA-N 1 3 319.468 2.550 20 0 DFADHO [NH3+]C[C@H]1CN(Cc2cc3ccccc3o2)CC12CCOCC2 ZINC000414797851 428417249 /nfs/dbraw/zinc/41/72/49/428417249.db2.gz YXEZNMYPFQSYMQ-HNNXBMFYSA-N 1 3 300.402 2.620 20 0 DFADHO CC(C)n1ncc2cc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cnc21 ZINC000414809815 428418247 /nfs/dbraw/zinc/41/82/47/428418247.db2.gz UOFRIAYZJUIPKP-GDBMZVCRSA-N 1 3 301.438 2.619 20 0 DFADHO CCCC[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000414811917 428419430 /nfs/dbraw/zinc/41/94/30/428419430.db2.gz JUFFMVZCWDGYCC-ZFWWWQNUSA-N 1 3 307.438 2.519 20 0 DFADHO Clc1ccccc1CN1CCC([NH2+]C[C@H]2CCCNC2)CC1 ZINC000414827970 428424275 /nfs/dbraw/zinc/42/42/75/428424275.db2.gz LKPJVVVUSYPDCD-HNNXBMFYSA-N 1 3 321.896 2.894 20 0 DFADHO Fc1ccc(Br)c(CNCC[C@@H]2CC[NH2+]C2)c1 ZINC000414832170 428426451 /nfs/dbraw/zinc/42/64/51/428426451.db2.gz NYXJPTCHPNDXNS-JTQLQIEISA-N 1 3 301.203 2.677 20 0 DFADHO COc1cc(Br)ccc1CNCC[C@@H]1CC[NH2+]C1 ZINC000414829890 428427684 /nfs/dbraw/zinc/42/76/84/428427684.db2.gz LHXIHORVCGVUDM-NSHDSACASA-N 1 3 313.239 2.547 20 0 DFADHO c1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c2c(c1)OCCCO2 ZINC000347053551 428428033 /nfs/dbraw/zinc/42/80/33/428428033.db2.gz SNNBOIMWRXYWDE-KRWDZBQOSA-N 1 3 316.445 2.812 20 0 DFADHO CC(C)c1ccc(CCNC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000347058388 428430090 /nfs/dbraw/zinc/43/00/90/428430090.db2.gz WCYQRFXLSYJSTO-LJQANCHMSA-N 1 3 304.478 2.789 20 0 DFADHO Cc1nn2c(CNCCC[C@@H]3CCC[NH2+]3)c(C(C)C)nc2s1 ZINC000414979089 428480545 /nfs/dbraw/zinc/48/05/45/428480545.db2.gz USYCNQQCOPOHGP-CYBMUJFWSA-N 1 3 321.494 2.844 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CNCCC2(F)F)CC1 ZINC000415000536 428485153 /nfs/dbraw/zinc/48/51/53/428485153.db2.gz LFXFVNOSFIWHKJ-KBMXLJTQSA-N 1 3 315.452 2.616 20 0 DFADHO COc1ccc(CNC[C@@H]2CCC[C@H]([NH3+])C2)c(Cl)c1OC ZINC000414999798 428486620 /nfs/dbraw/zinc/48/66/20/428486620.db2.gz SMQFCXBZPDIOFN-YPMHNXCESA-N 1 3 312.841 2.964 20 0 DFADHO C[C@@H](CCC[NH3+])NCc1c(F)ccc(Br)c1F ZINC000415019330 428490778 /nfs/dbraw/zinc/49/07/78/428490778.db2.gz IAAZQIWKWHJUBB-QMMMGPOBSA-N 1 3 307.182 2.944 20 0 DFADHO c1nn(Cc2ccccc2)cc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347200669 428490898 /nfs/dbraw/zinc/49/08/98/428490898.db2.gz JWZDPSOZBFRXGJ-HXUWFJFHSA-N 1 3 324.472 2.895 20 0 DFADHO C[C@@H](NC1CCN(Cc2c(F)cccc2Cl)CC1)[C@H](C)[NH3+] ZINC000415016995 428491281 /nfs/dbraw/zinc/49/12/81/428491281.db2.gz OVQZANBUFWNHQU-NWDGAFQWSA-N 1 3 313.848 2.769 20 0 DFADHO CCOc1cccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415130288 428531153 /nfs/dbraw/zinc/53/11/53/428531153.db2.gz WSYMAXJYULTCAQ-HKUYNNGSSA-N 1 3 318.461 2.804 20 0 DFADHO [NH3+]C[C@@H]1CC[C@H](NCc2ccc(F)cc2Br)C1 ZINC000415037033 428495602 /nfs/dbraw/zinc/49/56/02/428495602.db2.gz LWAHWROISRXADK-SKDRFNHKSA-N 1 3 301.203 2.805 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cn(C)nc2-c2cccs2)CC1 ZINC000347214846 428496883 /nfs/dbraw/zinc/49/68/83/428496883.db2.gz QOEXGVWVEIKDEF-UHFFFAOYSA-N 1 3 318.490 2.970 20 0 DFADHO C[C@@H](CNC[C@@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000415047668 428497926 /nfs/dbraw/zinc/49/79/26/428497926.db2.gz WBFOIDMKKTUUNT-WFASDCNBSA-N 1 3 316.367 2.777 20 0 DFADHO C[C@@H](C[NH2+]C[C@@H]1CNCCCO1)c1ccc(C(F)(F)F)cc1 ZINC000415047668 428497931 /nfs/dbraw/zinc/49/79/31/428497931.db2.gz WBFOIDMKKTUUNT-WFASDCNBSA-N 1 3 316.367 2.777 20 0 DFADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047100 428498276 /nfs/dbraw/zinc/49/82/76/428498276.db2.gz AHAFTUJNQVKKKI-SIXWZSSISA-N 1 3 320.477 2.942 20 0 DFADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CNCCCO1 ZINC000415044581 428498632 /nfs/dbraw/zinc/49/86/32/428498632.db2.gz SFXSYKYEYQFFRB-IUODEOHRSA-N 1 3 316.367 2.605 20 0 DFADHO CCCn1nc(C)c(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1C ZINC000347231986 428503577 /nfs/dbraw/zinc/50/35/77/428503577.db2.gz YEURMRZLRSUAQF-SFHVURJKSA-N 1 3 304.482 2.874 20 0 DFADHO CCCn1nc(C)c(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1C ZINC000347231984 428504013 /nfs/dbraw/zinc/50/40/13/428504013.db2.gz YEURMRZLRSUAQF-GOSISDBHSA-N 1 3 304.482 2.874 20 0 DFADHO NC[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)C1CCCC1 ZINC000415066906 428507918 /nfs/dbraw/zinc/50/79/18/428507918.db2.gz ONZPLLPMYXSPJJ-FQEVSTJZSA-N 1 3 315.505 2.801 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCn1cnc2ccccc21 ZINC000415074541 428509338 /nfs/dbraw/zinc/50/93/38/428509338.db2.gz AOCNSZWLFBGBCE-CVEARBPZSA-N 1 3 300.450 2.937 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+]CCNC(C)(C)C)cc1OC ZINC000415072980 428509840 /nfs/dbraw/zinc/50/98/40/428509840.db2.gz AOTURBVBKFFSCE-UHFFFAOYSA-N 1 3 308.466 2.959 20 0 DFADHO CC1(C)CC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397492849 428512474 /nfs/dbraw/zinc/51/24/74/428512474.db2.gz MJADPCUOUZPEEQ-QGZVFWFLSA-N 1 3 302.462 2.792 20 0 DFADHO C[C@]1(CN[C@@H]2CCCN(c3ccccc3Cl)C2)CC[NH2+]C1 ZINC000415083517 428513297 /nfs/dbraw/zinc/51/32/97/428513297.db2.gz NMKLTRHIPUYWEB-PBHICJAKSA-N 1 3 307.869 2.898 20 0 DFADHO CC(C)C[C@H](N)C[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000415078445 428513393 /nfs/dbraw/zinc/51/33/93/428513393.db2.gz GHKVCFQLUBOPIQ-WBVHZDCISA-N 1 3 304.482 2.570 20 0 DFADHO CC(C)C[C@H]([NH3+])CNC1CCN([C@H](C)c2ccncc2)CC1 ZINC000415078445 428513400 /nfs/dbraw/zinc/51/34/00/428513400.db2.gz GHKVCFQLUBOPIQ-WBVHZDCISA-N 1 3 304.482 2.570 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000415079978 428513688 /nfs/dbraw/zinc/51/36/88/428513688.db2.gz IOOIEAJJNYNAKZ-BRWVUGGUSA-N 1 3 302.466 2.561 20 0 DFADHO Cc1cc(C)n(-c2ccccc2C[NH2+]C[C@@H](N)CC(C)C)n1 ZINC000415076781 428513989 /nfs/dbraw/zinc/51/39/89/428513989.db2.gz BKFIZWGQFUGJTL-KRWDZBQOSA-N 1 3 300.450 2.952 20 0 DFADHO COc1cc(F)c([C@H](C)NC[C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000415093269 428518132 /nfs/dbraw/zinc/51/81/32/428518132.db2.gz UYZCGKCRIVATJZ-RWMBFGLXSA-N 1 3 310.413 2.882 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000415097264 428519616 /nfs/dbraw/zinc/51/96/16/428519616.db2.gz CMDVZFFWBFEGPJ-YTQUADARSA-N 1 3 319.468 2.898 20 0 DFADHO COc1cccc(OCCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415115237 428524964 /nfs/dbraw/zinc/52/49/64/428524964.db2.gz GRMJNJRIXBWYMP-QRVBRYPASA-N 1 3 318.461 2.974 20 0 DFADHO c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3NCCc4ccccc43)CCN2)cc1 ZINC000414960677 428471485 /nfs/dbraw/zinc/47/14/85/428471485.db2.gz UKJORSXQDSDYDL-JBACZVJFSA-N 1 3 321.468 2.956 20 0 DFADHO c1ccc([C@@H]2C[C@@H](NC[C@@H]3NCCc4ccccc43)CC[NH2+]2)cc1 ZINC000414960677 428471491 /nfs/dbraw/zinc/47/14/91/428471491.db2.gz UKJORSXQDSDYDL-JBACZVJFSA-N 1 3 321.468 2.956 20 0 DFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCNCC1 ZINC000390654504 428472813 /nfs/dbraw/zinc/47/28/13/428472813.db2.gz OGYMFBNZOWRXEI-GOSISDBHSA-N 1 3 301.478 2.629 20 0 DFADHO CC(C)N1CCc2nc(CNCCC[C@H]3CCC[NH2+]3)sc2C1 ZINC000414969753 428477115 /nfs/dbraw/zinc/47/71/15/428477115.db2.gz JKQBRAMJOSJEEY-AWEZNQCLSA-N 1 3 322.522 2.531 20 0 DFADHO CC[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)N(CC)CC ZINC000347481268 428589438 /nfs/dbraw/zinc/58/94/38/428589438.db2.gz LJVUMGSBIHXCDL-QGZVFWFLSA-N 1 3 311.514 2.687 20 0 DFADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CN1 ZINC000399115718 428533998 /nfs/dbraw/zinc/53/39/98/428533998.db2.gz FWTQJHOOSFBEIN-NBMJBFSESA-N 1 3 301.478 2.627 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H](c2ccco2)N2CCCC2)[C@@H]2CCC[C@H]21 ZINC000353442204 428536885 /nfs/dbraw/zinc/53/68/85/428536885.db2.gz OVFKWKOIZVJVKP-WNRNVDISSA-N 1 3 317.477 2.879 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H](c2ccco2)N2CCCC2)[C@@H]2CCC[C@H]21 ZINC000353442204 428536888 /nfs/dbraw/zinc/53/68/88/428536888.db2.gz OVFKWKOIZVJVKP-WNRNVDISSA-N 1 3 317.477 2.879 20 0 DFADHO CN1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)[C@@H]2CCC[C@H]21 ZINC000353442204 428536895 /nfs/dbraw/zinc/53/68/95/428536895.db2.gz OVFKWKOIZVJVKP-WNRNVDISSA-N 1 3 317.477 2.879 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccsc1 ZINC000353449747 428540512 /nfs/dbraw/zinc/54/05/12/428540512.db2.gz SFWZOGTYMAJWSR-YLFCFFPRSA-N 1 3 307.507 2.813 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccsc1 ZINC000353449747 428540520 /nfs/dbraw/zinc/54/05/20/428540520.db2.gz SFWZOGTYMAJWSR-YLFCFFPRSA-N 1 3 307.507 2.813 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)c1ccsc1 ZINC000353449747 428540524 /nfs/dbraw/zinc/54/05/24/428540524.db2.gz SFWZOGTYMAJWSR-YLFCFFPRSA-N 1 3 307.507 2.813 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C1CC1)N1CCCC1)CC(C)C ZINC000353458768 428546091 /nfs/dbraw/zinc/54/60/91/428546091.db2.gz KKKYLXAKANQZGD-MSOLQXFVSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H](NCC1(N(C)Cc2ccccc2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000400514514 428547141 /nfs/dbraw/zinc/54/71/41/428547141.db2.gz GCIRKPNSHMPPIB-AEFFLSMTSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@H](C[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)CN(C)C ZINC000400449742 428547185 /nfs/dbraw/zinc/54/71/85/428547185.db2.gz QNCQAYULRLBABF-RBSFLKMASA-N 1 3 313.486 2.562 20 0 DFADHO C[C@H](CN[C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)C[NH+](C)C ZINC000400449742 428547188 /nfs/dbraw/zinc/54/71/88/428547188.db2.gz QNCQAYULRLBABF-RBSFLKMASA-N 1 3 313.486 2.562 20 0 DFADHO CC(C)n1cc2c(n1)C[C@H](N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000358287151 428594191 /nfs/dbraw/zinc/59/41/91/428594191.db2.gz IWDPROZZPLWYII-BRWVUGGUSA-N 1 3 302.466 2.538 20 0 DFADHO CC(C)n1cc2c(n1)C[C@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000358287151 428594194 /nfs/dbraw/zinc/59/41/94/428594194.db2.gz IWDPROZZPLWYII-BRWVUGGUSA-N 1 3 302.466 2.538 20 0 DFADHO COc1cc(C)c(CN2CCC[C@H](C)[C@H]2CC[NH3+])cc1OC ZINC000404365833 428568603 /nfs/dbraw/zinc/56/86/03/428568603.db2.gz HFSYXSWCEBVHKL-XJKSGUPXSA-N 1 3 306.450 2.962 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CCc2ccccc2)C[C@@H]1C ZINC000347441580 428578983 /nfs/dbraw/zinc/57/89/83/428578983.db2.gz PCPAZOPTUVCFJF-YTQUADARSA-N 1 3 304.478 2.785 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)CCc2ccccc2)C[C@@H]1C ZINC000347441580 428578989 /nfs/dbraw/zinc/57/89/89/428578989.db2.gz PCPAZOPTUVCFJF-YTQUADARSA-N 1 3 304.478 2.785 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000407300411 428579627 /nfs/dbraw/zinc/57/96/27/428579627.db2.gz BTGKNTZZKINBBW-ROUUACIJSA-N 1 3 315.461 2.998 20 0 DFADHO CC[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)N(CC)CC ZINC000344038891 428614103 /nfs/dbraw/zinc/61/41/03/428614103.db2.gz IKEZXJUXAJOBEO-JFIYKMOQSA-N 1 3 311.514 2.734 20 0 DFADHO CN(CCCN(C)Cc1cc(Cl)ccc1F)CC[NH+](C)C ZINC000344036363 428615173 /nfs/dbraw/zinc/61/51/73/428615173.db2.gz SOWDBCCASKJDTI-UHFFFAOYSA-N 1 3 315.864 2.794 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000415956790 428634629 /nfs/dbraw/zinc/63/46/29/428634629.db2.gz OQVJLMYAMOPQIP-HOCLYGCPSA-N 1 3 318.465 2.743 20 0 DFADHO COc1cccc(COCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000353629463 428631657 /nfs/dbraw/zinc/63/16/57/428631657.db2.gz FZDCIJNGKKMXPV-GUDVDZBRSA-N 1 3 318.461 2.674 20 0 DFADHO COc1cccc(COCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353629463 428631661 /nfs/dbraw/zinc/63/16/61/428631661.db2.gz FZDCIJNGKKMXPV-GUDVDZBRSA-N 1 3 318.461 2.674 20 0 DFADHO COc1cccc(COCCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353629463 428631664 /nfs/dbraw/zinc/63/16/64/428631664.db2.gz FZDCIJNGKKMXPV-GUDVDZBRSA-N 1 3 318.461 2.674 20 0 DFADHO C[NH2+]Cc1ccc(NC(=O)NC[C@H](C)N2CCC(C)CC2)cc1 ZINC000415970773 428638634 /nfs/dbraw/zinc/63/86/34/428638634.db2.gz IOKMGKABAJEKSI-HNNXBMFYSA-N 1 3 318.465 2.648 20 0 DFADHO C[N@@H+]1CC[C@H](NCCNc2ccc3ccccc3n2)[C@H]2CCC[C@@H]21 ZINC000353647230 428635298 /nfs/dbraw/zinc/63/52/98/428635298.db2.gz QZHVPNOTLKDBGF-NEWSRXKRSA-N 1 3 324.472 3.109 20 0 DFADHO C[N@H+]1CC[C@H](NCCNc2ccc3ccccc3n2)[C@H]2CCC[C@@H]21 ZINC000353647230 428635301 /nfs/dbraw/zinc/63/53/01/428635301.db2.gz QZHVPNOTLKDBGF-NEWSRXKRSA-N 1 3 324.472 3.109 20 0 DFADHO CCN(C)C(=O)CN1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000358735542 428649832 /nfs/dbraw/zinc/64/98/32/428649832.db2.gz JDSBWVJGJQVUGU-UHFFFAOYSA-N 1 3 311.514 2.545 20 0 DFADHO CCN(C)C(=O)CN1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000358735542 428649835 /nfs/dbraw/zinc/64/98/35/428649835.db2.gz JDSBWVJGJQVUGU-UHFFFAOYSA-N 1 3 311.514 2.545 20 0 DFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000362217162 428664759 /nfs/dbraw/zinc/66/47/59/428664759.db2.gz FQAPGUSJBBXVRF-SJLPKXTDSA-N 1 3 321.509 2.725 20 0 DFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000362217162 428664762 /nfs/dbraw/zinc/66/47/62/428664762.db2.gz FQAPGUSJBBXVRF-SJLPKXTDSA-N 1 3 321.509 2.725 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000344505871 428668865 /nfs/dbraw/zinc/66/88/65/428668865.db2.gz BCNSVOJCOCVNPZ-XMTFNYHQSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000344505871 428668871 /nfs/dbraw/zinc/66/88/71/428668871.db2.gz BCNSVOJCOCVNPZ-XMTFNYHQSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000167480954 274340505 /nfs/dbraw/zinc/34/05/05/274340505.db2.gz CQXJHWSMZOMVMV-VMUDFCTBSA-N 1 3 323.431 2.862 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000167480954 274340506 /nfs/dbraw/zinc/34/05/06/274340506.db2.gz CQXJHWSMZOMVMV-VMUDFCTBSA-N 1 3 323.431 2.862 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@@H](O)COC(C)(C)C ZINC000348301222 428701387 /nfs/dbraw/zinc/70/13/87/428701387.db2.gz GBBOUIVIYZQEAY-GVDBMIGSSA-N 1 3 314.514 2.653 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COC(C)(C)C ZINC000348301222 428701394 /nfs/dbraw/zinc/70/13/94/428701394.db2.gz GBBOUIVIYZQEAY-GVDBMIGSSA-N 1 3 314.514 2.653 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)NCC2(N(C)C)CC2)cc1)C(C)C ZINC000416300144 428711660 /nfs/dbraw/zinc/71/16/60/428711660.db2.gz HXEXJTQVZZTNFM-UHFFFAOYSA-N 1 3 317.477 2.741 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)NCC2(N(C)C)CC2)cc1)C(C)C ZINC000416300144 428711666 /nfs/dbraw/zinc/71/16/66/428711666.db2.gz HXEXJTQVZZTNFM-UHFFFAOYSA-N 1 3 317.477 2.741 20 0 DFADHO CCn1cc(CCN[C@H]2CCCC[C@@H]2C[NH+](CC)CC)cn1 ZINC000348359995 428717951 /nfs/dbraw/zinc/71/79/51/428717951.db2.gz BKYFQQRDTBJNIJ-MSOLQXFVSA-N 1 3 306.498 2.936 20 0 DFADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCc1cnn(CC)c1 ZINC000348359995 428717953 /nfs/dbraw/zinc/71/79/53/428717953.db2.gz BKYFQQRDTBJNIJ-MSOLQXFVSA-N 1 3 306.498 2.936 20 0 DFADHO C[C@H](CN(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000348275510 428688570 /nfs/dbraw/zinc/68/85/70/428688570.db2.gz CJYILLYTKWUTLQ-BPIHKTFHSA-N 1 3 301.478 2.722 20 0 DFADHO CC(C)[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)N1CCCCC1 ZINC000358819919 428690496 /nfs/dbraw/zinc/69/04/96/428690496.db2.gz RYKVUMAVYVNTIY-QZTJIDSGSA-N 1 3 323.525 2.878 20 0 DFADHO CC(C)[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)N1CCCCC1 ZINC000358819919 428690500 /nfs/dbraw/zinc/69/05/00/428690500.db2.gz RYKVUMAVYVNTIY-QZTJIDSGSA-N 1 3 323.525 2.878 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416232676 428694468 /nfs/dbraw/zinc/69/44/68/428694468.db2.gz GLKOECDYALDUEP-WMZOPIPTSA-N 1 3 319.493 2.916 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416232676 428694475 /nfs/dbraw/zinc/69/44/75/428694475.db2.gz GLKOECDYALDUEP-WMZOPIPTSA-N 1 3 319.493 2.916 20 0 DFADHO Cc1cc(NC[C@@]2([NH+](C)C)CCSC2)c2ccccc2n1 ZINC000358991368 428763978 /nfs/dbraw/zinc/76/39/78/428763978.db2.gz VDFDXBZQBKGBFI-KRWDZBQOSA-N 1 3 301.459 2.814 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000362517123 428782743 /nfs/dbraw/zinc/78/27/43/428782743.db2.gz WJYGBFHCILWEOX-ZDUSSCGKSA-N 1 3 313.848 2.595 20 0 DFADHO C[C@H](N[C@@H](CO)CC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348443524 428744822 /nfs/dbraw/zinc/74/48/22/428744822.db2.gz XNUXENYAVZGKSU-CWRNSKLLSA-N 1 3 312.404 2.503 20 0 DFADHO C[C@H](N[C@@H](CO)CC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348443524 428744825 /nfs/dbraw/zinc/74/48/25/428744825.db2.gz XNUXENYAVZGKSU-CWRNSKLLSA-N 1 3 312.404 2.503 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC(CC[NH+](C)C)CC1)N1CCCCC1 ZINC000353959183 428794029 /nfs/dbraw/zinc/79/40/29/428794029.db2.gz COVGKIVOIVKKHT-GOSISDBHSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@H]1O ZINC000411562757 428817708 /nfs/dbraw/zinc/81/77/08/428817708.db2.gz BYISKQJHJBYHEL-QFBILLFUSA-N 1 3 302.462 2.875 20 0 DFADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)CC1CCN(C)CC1 ZINC000362952299 428820647 /nfs/dbraw/zinc/82/06/47/428820647.db2.gz QQGURKIKZLAWQC-QZTJIDSGSA-N 1 3 323.525 2.735 20 0 DFADHO CCCN1CCC[C@H]1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000354191845 428906255 /nfs/dbraw/zinc/90/62/55/428906255.db2.gz RCRYRYFPJORKBD-KRWDZBQOSA-N 1 3 303.450 2.604 20 0 DFADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000268943550 274669494 /nfs/dbraw/zinc/66/94/94/274669494.db2.gz AVDPMIZMHGHJPH-AWEZNQCLSA-N 1 3 302.418 2.849 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(OC)c1 ZINC000349029511 428901667 /nfs/dbraw/zinc/90/16/67/428901667.db2.gz JOXNQJJZMFVSRF-SFHVURJKSA-N 1 3 319.493 2.543 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(OC)c1 ZINC000349029511 428901670 /nfs/dbraw/zinc/90/16/70/428901670.db2.gz JOXNQJJZMFVSRF-SFHVURJKSA-N 1 3 319.493 2.543 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC)cc1 ZINC000349034693 428905323 /nfs/dbraw/zinc/90/53/23/428905323.db2.gz FGYDQPOWAJKBPR-GOSISDBHSA-N 1 3 319.493 2.543 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC)cc1 ZINC000349034693 428905326 /nfs/dbraw/zinc/90/53/26/428905326.db2.gz FGYDQPOWAJKBPR-GOSISDBHSA-N 1 3 319.493 2.543 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C)s1 ZINC000349077834 428913177 /nfs/dbraw/zinc/91/31/77/428913177.db2.gz QHSBMJZRBLWOPX-INIZCTEOSA-N 1 3 309.523 2.904 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C)s1 ZINC000349077834 428913178 /nfs/dbraw/zinc/91/31/78/428913178.db2.gz QHSBMJZRBLWOPX-INIZCTEOSA-N 1 3 309.523 2.904 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccccc1C ZINC000349077819 428913551 /nfs/dbraw/zinc/91/35/51/428913551.db2.gz QGOHQIUYEAZZQS-IBGZPJMESA-N 1 3 303.494 2.843 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccccc1C ZINC000349077819 428913556 /nfs/dbraw/zinc/91/35/56/428913556.db2.gz QGOHQIUYEAZZQS-IBGZPJMESA-N 1 3 303.494 2.843 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cccc2[nH]ccc21 ZINC000349073876 428914144 /nfs/dbraw/zinc/91/41/44/428914144.db2.gz LTYHYVHFLYYZMK-UHFFFAOYSA-N 1 3 314.477 2.626 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccc2[nH]ccc21 ZINC000349073876 428914148 /nfs/dbraw/zinc/91/41/48/428914148.db2.gz LTYHYVHFLYYZMK-UHFFFAOYSA-N 1 3 314.477 2.626 20 0 DFADHO CN(C)CCOCC[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000354203689 428915413 /nfs/dbraw/zinc/91/54/13/428915413.db2.gz JCMWPSIYVDBNDG-QZTJIDSGSA-N 1 3 320.477 2.538 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000349117045 428924727 /nfs/dbraw/zinc/92/47/27/428924727.db2.gz JDLCVQAQLZPDEG-IRXDYDNUSA-N 1 3 309.498 2.632 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000349117045 428924732 /nfs/dbraw/zinc/92/47/32/428924732.db2.gz JDLCVQAQLZPDEG-IRXDYDNUSA-N 1 3 309.498 2.632 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2CCC)CC1 ZINC000349146215 428929818 /nfs/dbraw/zinc/92/98/18/428929818.db2.gz VQOLPDICSWZSML-GOSISDBHSA-N 1 3 323.525 2.831 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2CCC)CC1 ZINC000349146215 428929823 /nfs/dbraw/zinc/92/98/23/428929823.db2.gz VQOLPDICSWZSML-GOSISDBHSA-N 1 3 323.525 2.831 20 0 DFADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc([S@@](C)=O)cc3)C2)CC1 ZINC000349178790 428934979 /nfs/dbraw/zinc/93/49/79/428934979.db2.gz BNWPZPDBLMWPMI-VGOFRKELSA-N 1 3 320.502 2.588 20 0 DFADHO C[NH+](C)CCOCCNCc1ccccc1OC1CCCC1 ZINC000349250105 428949111 /nfs/dbraw/zinc/94/91/11/428949111.db2.gz FDURXJJJCCMWBV-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCNC2CC2)cc1OC ZINC000423542435 428969169 /nfs/dbraw/zinc/96/91/69/428969169.db2.gz BAERVWJUHASBNE-KGLIPLIRSA-N 1 3 306.450 2.928 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000423779662 429016633 /nfs/dbraw/zinc/01/66/33/429016633.db2.gz FMLSJBWHMWBAEL-AEFFLSMTSA-N 1 3 303.450 2.903 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)CCC2CC[NH2+]CC2)c1 ZINC000423783553 429019216 /nfs/dbraw/zinc/01/92/16/429019216.db2.gz KOCDVQKBSZZXEK-UHFFFAOYSA-N 1 3 303.450 2.775 20 0 DFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000433359690 429027564 /nfs/dbraw/zinc/02/75/64/429027564.db2.gz CWFAXQRUFSYDMT-JQHSSLGASA-N 1 3 321.509 2.773 20 0 DFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000433376660 429029849 /nfs/dbraw/zinc/02/98/49/429029849.db2.gz JXSRCANCDIHOFD-QZTJIDSGSA-N 1 3 321.509 2.726 20 0 DFADHO CON1CCC([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000421399052 428993941 /nfs/dbraw/zinc/99/39/41/428993941.db2.gz PJGFOIDWYGGSMB-MAUKXSAKSA-N 1 3 309.498 2.645 20 0 DFADHO CON1CCC(NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000421399052 428993949 /nfs/dbraw/zinc/99/39/49/428993949.db2.gz PJGFOIDWYGGSMB-MAUKXSAKSA-N 1 3 309.498 2.645 20 0 DFADHO C[C@@]1(CNCC2=CCCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000375984996 429034112 /nfs/dbraw/zinc/03/41/12/429034112.db2.gz CUAARYULPGGSRR-IBGZPJMESA-N 1 3 300.446 2.835 20 0 DFADHO C[C@@]1(CNCC2=CCCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000375984996 429034114 /nfs/dbraw/zinc/03/41/14/429034114.db2.gz CUAARYULPGGSRR-IBGZPJMESA-N 1 3 300.446 2.835 20 0 DFADHO CC(C)[C@H](C[NH3+])C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000433129440 428999060 /nfs/dbraw/zinc/99/90/60/428999060.db2.gz NXYPMLCBJJZJPP-YJBOKZPZSA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)[C@H](C[NH3+])C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000433129438 428999394 /nfs/dbraw/zinc/99/93/94/428999394.db2.gz NXYPMLCBJJZJPP-QAPCUYQASA-N 1 3 317.477 2.559 20 0 DFADHO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000375855237 428999827 /nfs/dbraw/zinc/99/98/27/428999827.db2.gz ZSZVNAMDGWPUFD-KURKYZTESA-N 1 3 316.493 2.890 20 0 DFADHO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000375855237 428999832 /nfs/dbraw/zinc/99/98/32/428999832.db2.gz ZSZVNAMDGWPUFD-KURKYZTESA-N 1 3 316.493 2.890 20 0 DFADHO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cn1 ZINC000375855237 428999835 /nfs/dbraw/zinc/99/98/35/428999835.db2.gz ZSZVNAMDGWPUFD-KURKYZTESA-N 1 3 316.493 2.890 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C1(C[NH3+])CCCC1 ZINC000423737179 429006742 /nfs/dbraw/zinc/00/67/42/429006742.db2.gz DSOPIKAYFIIGLR-UHFFFAOYSA-N 1 3 317.477 2.616 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN(C)C2CCC(C(C)C)CC2)CC1 ZINC000433180863 429007479 /nfs/dbraw/zinc/00/74/79/429007479.db2.gz ZCUMZZXGGZXXBW-UHFFFAOYSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)N1CCCCC1 ZINC000354842373 429012481 /nfs/dbraw/zinc/01/24/81/429012481.db2.gz WEYSAOGTWXPOHN-SFHVURJKSA-N 1 3 323.525 2.878 20 0 DFADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)N1CCCCC1 ZINC000354842373 429012484 /nfs/dbraw/zinc/01/24/84/429012484.db2.gz WEYSAOGTWXPOHN-SFHVURJKSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@@H](NC(=O)C(C)(C)[C@H](N)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000423446573 429089375 /nfs/dbraw/zinc/08/93/75/429089375.db2.gz SQMPREFWZIIZNO-GDBMZVCRSA-N 1 3 319.493 2.805 20 0 DFADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCOCCN(C)C ZINC000421834546 429039049 /nfs/dbraw/zinc/03/90/49/429039049.db2.gz CHYJKVAVGZSMER-GFCCVEGCSA-N 1 3 302.821 2.578 20 0 DFADHO COC1([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000421844934 429039527 /nfs/dbraw/zinc/03/95/27/429039527.db2.gz PCIKPIGVBQKPGS-IXDOHACOSA-N 1 3 312.498 2.813 20 0 DFADHO [NH3+][C@H](CCC(=O)NC1CCN(C2CC2)CC1)CC1CCCCC1 ZINC000424135700 429096484 /nfs/dbraw/zinc/09/64/84/429096484.db2.gz MSRQNIHZVPRLIB-MRXNPFEDSA-N 1 3 321.509 2.807 20 0 DFADHO COC(=O)Nc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000376063159 429050476 /nfs/dbraw/zinc/05/04/76/429050476.db2.gz XZLJNIBBYZUUKM-GVDBMIGSSA-N 1 3 317.433 2.827 20 0 DFADHO COC(=O)Nc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000376063159 429050482 /nfs/dbraw/zinc/05/04/82/429050482.db2.gz XZLJNIBBYZUUKM-GVDBMIGSSA-N 1 3 317.433 2.827 20 0 DFADHO COC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000376063159 429050484 /nfs/dbraw/zinc/05/04/84/429050484.db2.gz XZLJNIBBYZUUKM-GVDBMIGSSA-N 1 3 317.433 2.827 20 0 DFADHO COCCc1nc(C)c([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000423281699 429055605 /nfs/dbraw/zinc/05/56/05/429055605.db2.gz UKLLWTNRURPPQK-UBHSHLNASA-N 1 3 311.495 2.809 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423285679 429058812 /nfs/dbraw/zinc/05/88/12/429058812.db2.gz ZNCRZESJTLLCJC-UHZRXMQZSA-N 1 3 313.489 2.899 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000423307599 429059708 /nfs/dbraw/zinc/05/97/08/429059708.db2.gz HJCFYTDWKXANGN-KSSFIOAISA-N 1 3 311.429 2.739 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H](C)[NH3+] ZINC000423299928 429059830 /nfs/dbraw/zinc/05/98/30/429059830.db2.gz CSVMGQOEMALCIP-FMKPAKJESA-N 1 3 323.506 2.621 20 0 DFADHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423311070 429060560 /nfs/dbraw/zinc/06/05/60/429060560.db2.gz BHIHDBRSGSIOQL-RTBURBONSA-N 1 3 311.429 2.701 20 0 DFADHO N[C@H](C[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1)C1CC1 ZINC000423315531 429062017 /nfs/dbraw/zinc/06/20/17/429062017.db2.gz IWTRUQVYSRXNJQ-IKGGRYGDSA-N 1 3 308.853 2.757 20 0 DFADHO Cc1c([C@H](C)NCC2(C)CC[NH2+]CC2)nnn1-c1ccccc1 ZINC000423328233 429064349 /nfs/dbraw/zinc/06/43/49/429064349.db2.gz LWTXFCKSDXUFQY-AWEZNQCLSA-N 1 3 313.449 2.616 20 0 DFADHO C[C@]1(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCCNC1 ZINC000423326947 429065377 /nfs/dbraw/zinc/06/53/77/429065377.db2.gz KTRYNYJESCLOEV-SFHVURJKSA-N 1 3 323.431 2.913 20 0 DFADHO [NH3+]C1(CN[C@H]2CCc3cc(Br)ccc3C2)CCC1 ZINC000423324531 429065902 /nfs/dbraw/zinc/06/59/02/429065902.db2.gz KKDSASSFBDEHPK-AWEZNQCLSA-N 1 3 309.251 2.777 20 0 DFADHO FC(F)(F)c1cnc2c(c1)[C@H](NCC1=CC[NH2+]CC1)CCC2 ZINC000423347149 429069785 /nfs/dbraw/zinc/06/97/85/429069785.db2.gz QDZXQNBOISRDMK-CQSZACIVSA-N 1 3 311.351 2.987 20 0 DFADHO COc1ccc([C@@H](C)NCCCC[NH3+])c(Br)c1 ZINC000423342621 429070218 /nfs/dbraw/zinc/07/02/18/429070218.db2.gz ZBYZKBUEEOJISJ-SNVBAGLBSA-N 1 3 301.228 2.847 20 0 DFADHO C[C@@H](Cc1ccc(F)cc1Br)NC[C@H]1CC[NH2+]C1 ZINC000423345965 429070578 /nfs/dbraw/zinc/07/05/78/429070578.db2.gz PHAZWQZSUBVJMT-QWRGUYRKSA-N 1 3 315.230 2.718 20 0 DFADHO C[NH+]1CCC(CCNC(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423353059 429071716 /nfs/dbraw/zinc/07/17/16/429071716.db2.gz CGIDLFMUWLJWKK-KRWDZBQOSA-N 1 3 317.477 2.561 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000423359468 429072704 /nfs/dbraw/zinc/07/27/04/429072704.db2.gz KOJHAUTUDNXDAI-KNCOVGOOSA-N 1 3 306.450 2.783 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)cc1OC ZINC000423367955 429074474 /nfs/dbraw/zinc/07/44/74/429074474.db2.gz AWMRPFBOTDVXQO-IJEWVQPXSA-N 1 3 306.450 2.673 20 0 DFADHO COc1cc(C)c(C[C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000423367955 429074476 /nfs/dbraw/zinc/07/44/76/429074476.db2.gz AWMRPFBOTDVXQO-IJEWVQPXSA-N 1 3 306.450 2.673 20 0 DFADHO C[C@H]1[NH2+]CCC[C@H]1NC1CCN(c2ccc(F)cc2F)CC1 ZINC000423365532 429074527 /nfs/dbraw/zinc/07/45/27/429074527.db2.gz BVVXVLSFHMFTFQ-MLGOLLRUSA-N 1 3 309.404 2.664 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423391284 429078848 /nfs/dbraw/zinc/07/88/48/429078848.db2.gz KQVRCBCNZTUGRS-BODMPHMZSA-N 1 3 306.425 2.881 20 0 DFADHO CC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423395404 429079460 /nfs/dbraw/zinc/07/94/60/429079460.db2.gz SNQWKDLQKOKECW-GJZGRUSLSA-N 1 3 315.383 2.563 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)c(C)c1OC ZINC000423394649 429080116 /nfs/dbraw/zinc/08/01/16/429080116.db2.gz MVUMARRJPWMWEJ-XEZPLFJOSA-N 1 3 306.450 2.531 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CC[NH2+]C[C@@H]2C)c(C)c1OC ZINC000423394649 429080121 /nfs/dbraw/zinc/08/01/21/429080121.db2.gz MVUMARRJPWMWEJ-XEZPLFJOSA-N 1 3 306.450 2.531 20 0 DFADHO COC[C@]1(C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CCCN1 ZINC000423413259 429083246 /nfs/dbraw/zinc/08/32/46/429083246.db2.gz JZNMECJBENNRAN-JENIJYKNSA-N 1 3 302.462 2.927 20 0 DFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423410919 429083532 /nfs/dbraw/zinc/08/35/32/429083532.db2.gz DVYKARLIGZAJPP-BBWFWOEESA-N 1 3 317.477 2.702 20 0 DFADHO COC[C@]1(C[NH2+][C@H](C)Cc2coc3ccccc23)CCCN1 ZINC000423413236 429083908 /nfs/dbraw/zinc/08/39/08/429083908.db2.gz JVTPRLRUIAUKHM-RDTXWAMCSA-N 1 3 302.418 2.722 20 0 DFADHO COC[C@@]1(C[NH2+][C@H](C)CCc2c(F)cccc2F)CCCN1 ZINC000423415687 429085386 /nfs/dbraw/zinc/08/53/86/429085386.db2.gz PEZXVVAZBBVEBI-DYVFJYSZSA-N 1 3 312.404 2.644 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000435621861 429152563 /nfs/dbraw/zinc/15/25/63/429152563.db2.gz AUQMVRGNASOKCD-CQSZACIVSA-N 1 3 307.413 2.537 20 0 DFADHO CCN(CCCOc1ccc(OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435625353 429155528 /nfs/dbraw/zinc/15/55/28/429155528.db2.gz HMJGGGRTJDVLCG-MRXNPFEDSA-N 1 3 306.450 2.928 20 0 DFADHO CC[N@H+](CCCOc1ccc(OC)cc1)[C@@H]1CCCNCC1 ZINC000435625353 429155532 /nfs/dbraw/zinc/15/55/32/429155532.db2.gz HMJGGGRTJDVLCG-MRXNPFEDSA-N 1 3 306.450 2.928 20 0 DFADHO CC[N@@H+](CCCOc1ccc(OC)cc1)[C@@H]1CCCNCC1 ZINC000435625353 429155537 /nfs/dbraw/zinc/15/55/37/429155537.db2.gz HMJGGGRTJDVLCG-MRXNPFEDSA-N 1 3 306.450 2.928 20 0 DFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424140704 429099297 /nfs/dbraw/zinc/09/92/97/429099297.db2.gz WOOCOIGAWYIBFM-MSOLQXFVSA-N 1 3 323.525 2.865 20 0 DFADHO Clc1cccc([C@@H]2CC[C@H]([NH2+]C[C@@H]3CNCCCO3)C2)c1 ZINC000423492850 429099337 /nfs/dbraw/zinc/09/93/37/429099337.db2.gz OVGKWHMGCMYAMP-PVAVHDDUSA-N 1 3 308.853 2.944 20 0 DFADHO Clc1cccc([C@@H]2CC[C@H](NC[C@@H]3C[NH2+]CCCO3)C2)c1 ZINC000423492850 429099342 /nfs/dbraw/zinc/09/93/42/429099342.db2.gz OVGKWHMGCMYAMP-PVAVHDDUSA-N 1 3 308.853 2.944 20 0 DFADHO Clc1ccc([C@@H]2CC[C@@H](NC[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000423494980 429099849 /nfs/dbraw/zinc/09/98/49/429099849.db2.gz TULJFMICBMHIKL-DJIMGWMZSA-N 1 3 308.853 2.944 20 0 DFADHO CC[C@H](c1ccc2c(c1)OCCO2)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423515449 429106553 /nfs/dbraw/zinc/10/65/53/429106553.db2.gz VMXCJOLOEZCGJD-DDUZABMNSA-N 1 3 304.434 2.826 20 0 DFADHO CC[C@H](c1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423515449 429106557 /nfs/dbraw/zinc/10/65/57/429106557.db2.gz VMXCJOLOEZCGJD-DDUZABMNSA-N 1 3 304.434 2.826 20 0 DFADHO CC[C@H](c1ccc2c(c1)OCCO2)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423515449 429106561 /nfs/dbraw/zinc/10/65/61/429106561.db2.gz VMXCJOLOEZCGJD-DDUZABMNSA-N 1 3 304.434 2.826 20 0 DFADHO CCc1ccccc1[C@H](N)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000423515950 429106584 /nfs/dbraw/zinc/10/65/84/429106584.db2.gz XRJADEZHRVPQJV-BEVDRBHNSA-N 1 3 311.473 2.797 20 0 DFADHO CC(C)(C)OC(=O)C(C)(C)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000424194998 429108699 /nfs/dbraw/zinc/10/86/99/429108699.db2.gz YJZZSEMGSUOIJK-CABCVRRESA-N 1 3 310.482 2.961 20 0 DFADHO CC(C)(C)OC(=O)C(C)(C)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000424194998 429108704 /nfs/dbraw/zinc/10/87/04/429108704.db2.gz YJZZSEMGSUOIJK-CABCVRRESA-N 1 3 310.482 2.961 20 0 DFADHO CC(C)(C)OC(=O)C(C)(C)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000424194999 429109623 /nfs/dbraw/zinc/10/96/23/429109623.db2.gz YJZZSEMGSUOIJK-GJZGRUSLSA-N 1 3 310.482 2.961 20 0 DFADHO CC(C)(C)OC(=O)C(C)(C)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000424194999 429109624 /nfs/dbraw/zinc/10/96/24/429109624.db2.gz YJZZSEMGSUOIJK-GJZGRUSLSA-N 1 3 310.482 2.961 20 0 DFADHO CC(C)CN(CC(C)C)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424289105 429121327 /nfs/dbraw/zinc/12/13/27/429121327.db2.gz LOXNYOUMYFNDKM-KRWDZBQOSA-N 1 3 323.525 2.591 20 0 DFADHO CC(C)CN(CC(C)C)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424289106 429121660 /nfs/dbraw/zinc/12/16/60/429121660.db2.gz LOXNYOUMYFNDKM-QGZVFWFLSA-N 1 3 323.525 2.591 20 0 DFADHO CCc1ccccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000376496446 429121922 /nfs/dbraw/zinc/12/19/22/429121922.db2.gz XKCVQNOVAOZABS-YLJYHZDGSA-N 1 3 315.505 2.707 20 0 DFADHO C[C@H]1CC2(CN1Cc1cnc([C@@H]3CCCO3)s1)CC[NH2+]CC2 ZINC000424370448 429132174 /nfs/dbraw/zinc/13/21/74/429132174.db2.gz CHURAPSMLUVGIT-ZFWWWQNUSA-N 1 3 321.490 2.959 20 0 DFADHO CCN(CC)c1ncc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000424385152 429133658 /nfs/dbraw/zinc/13/36/58/429133658.db2.gz WABPQFLLTFTBAL-CQSZACIVSA-N 1 3 322.522 2.953 20 0 DFADHO C[C@@H]1CC2(CN1Cc1ccnn1-c1ccccc1)CC[NH2+]CC2 ZINC000424388033 429133991 /nfs/dbraw/zinc/13/39/91/429133991.db2.gz YZABUWZLXCVNSL-MRXNPFEDSA-N 1 3 310.445 2.836 20 0 DFADHO C[NH2+]C[C@@H]1CCCN(C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000435369887 429134681 /nfs/dbraw/zinc/13/46/81/429134681.db2.gz GKAYJBGRKCZYNY-HOCLYGCPSA-N 1 3 308.441 2.944 20 0 DFADHO CCN(Cc1cccc(OCCOC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435390171 429137309 /nfs/dbraw/zinc/13/73/09/429137309.db2.gz OIFPTRNWEUUKLQ-QGZVFWFLSA-N 1 3 306.450 2.676 20 0 DFADHO CC1(C)Cc2cc(CN3CCC(OCCC[NH3+])CC3)ccc2O1 ZINC000435390496 429137359 /nfs/dbraw/zinc/13/73/59/429137359.db2.gz BGZMDYVOMPZBGB-UHFFFAOYSA-N 1 3 318.461 2.730 20 0 DFADHO CCN(Cc1ccc(-n2cncn2)c(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435381874 429137399 /nfs/dbraw/zinc/13/73/99/429137399.db2.gz WJDIHKQCQYNKCB-KRWDZBQOSA-N 1 3 313.449 2.540 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000424446637 429141211 /nfs/dbraw/zinc/14/12/11/429141211.db2.gz SAURYFYETHKFDO-HNNXBMFYSA-N 1 3 318.465 2.697 20 0 DFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424436784 429142344 /nfs/dbraw/zinc/14/23/44/429142344.db2.gz NFAWEAHUBDWTJQ-OAHLLOKOSA-N 1 3 318.465 2.649 20 0 DFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424436784 429142349 /nfs/dbraw/zinc/14/23/49/429142349.db2.gz NFAWEAHUBDWTJQ-OAHLLOKOSA-N 1 3 318.465 2.649 20 0 DFADHO c1ccc2c(c1)C[C@@H]1CN(CCC[NH+]3CCCCC3)CCCN21 ZINC000289586708 275070452 /nfs/dbraw/zinc/07/04/52/275070452.db2.gz WVIXTIGGLREUKA-LJQANCHMSA-N 1 3 313.489 2.999 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000435940458 429172049 /nfs/dbraw/zinc/17/20/49/429172049.db2.gz RCPMAFXVJKIAMQ-XHSDSOJGSA-N 1 3 309.498 2.579 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CCCc3ccc(F)cc32)CC1(C)C ZINC000442881352 429238297 /nfs/dbraw/zinc/23/82/97/429238297.db2.gz ZFVZOWRBLBOZOX-SFHVURJKSA-N 1 3 319.468 2.819 20 0 DFADHO CC[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CCC1 ZINC000449115746 429335843 /nfs/dbraw/zinc/33/58/43/429335843.db2.gz ILUHGYBHRMCJBX-SFHVURJKSA-N 1 3 317.477 2.646 20 0 DFADHO CCC[C@H](O)CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449142684 429341550 /nfs/dbraw/zinc/34/15/50/429341550.db2.gz GNHZIMCUROKIGB-LPHOPBHVSA-N 1 3 304.478 2.833 20 0 DFADHO OC[C@H]1CCc2ccccc2[C@H]1[NH2+]CCCN1CCCCC1 ZINC000365267198 429290871 /nfs/dbraw/zinc/29/08/71/429290871.db2.gz NMWJYEPLEIIHJE-MJGOQNOKSA-N 1 3 302.462 2.748 20 0 DFADHO CO[C@@H](C[N@@H+](C)[C@@H]1CCCN(C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425787 429293545 /nfs/dbraw/zinc/29/35/45/429293545.db2.gz UWFRSDZTODFGGS-CEXWTWQISA-N 1 3 324.509 2.623 20 0 DFADHO CO[C@@H](C[N@H+](C)[C@@H]1CCCN(C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425787 429293549 /nfs/dbraw/zinc/29/35/49/429293549.db2.gz UWFRSDZTODFGGS-CEXWTWQISA-N 1 3 324.509 2.623 20 0 DFADHO CO[C@@H](CN(C)[C@@H]1CCC[N@H+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425787 429293553 /nfs/dbraw/zinc/29/35/53/429293553.db2.gz UWFRSDZTODFGGS-CEXWTWQISA-N 1 3 324.509 2.623 20 0 DFADHO CO[C@@H](CN(C)[C@@H]1CCC[N@@H+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425787 429293555 /nfs/dbraw/zinc/29/35/55/429293555.db2.gz UWFRSDZTODFGGS-CEXWTWQISA-N 1 3 324.509 2.623 20 0 DFADHO CC(C)(C)OC(=O)NC1CC(NC2CC([NH+]3CCCCC3)C2)C1 ZINC000495948070 429297408 /nfs/dbraw/zinc/29/74/08/429297408.db2.gz SONPAIJTGSKCHC-UHFFFAOYSA-N 1 3 323.481 2.649 20 0 DFADHO C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000425519878 429316251 /nfs/dbraw/zinc/31/62/51/429316251.db2.gz HDOVMOVDBJQKSV-JFIYKMOQSA-N 1 3 317.477 2.526 20 0 DFADHO C(N1CC[C@H]2CCC[C@H]21)C1(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)COC1 ZINC000426457191 429392011 /nfs/dbraw/zinc/39/20/11/429392011.db2.gz XRLJZTPEUWROFE-USTZCAOPSA-N 1 3 304.478 2.752 20 0 DFADHO C(N1CC[C@H]2CCC[C@H]21)C1(C[N@H+]2CC[C@@H]3CCC[C@@H]32)COC1 ZINC000426457191 429392014 /nfs/dbraw/zinc/39/20/14/429392014.db2.gz XRLJZTPEUWROFE-USTZCAOPSA-N 1 3 304.478 2.752 20 0 DFADHO C(N1CC[C@@H]2CCC[C@@H]21)C1(C[N@@H+]2CC[C@H]3CCC[C@H]32)COC1 ZINC000426457191 429392017 /nfs/dbraw/zinc/39/20/17/429392017.db2.gz XRLJZTPEUWROFE-USTZCAOPSA-N 1 3 304.478 2.752 20 0 DFADHO C(N1CC[C@@H]2CCC[C@@H]21)C1(C[N@H+]2CC[C@H]3CCC[C@H]32)COC1 ZINC000426457191 429392021 /nfs/dbraw/zinc/39/20/21/429392021.db2.gz XRLJZTPEUWROFE-USTZCAOPSA-N 1 3 304.478 2.752 20 0 DFADHO CN1CCC(CC(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000365881924 429396587 /nfs/dbraw/zinc/39/65/87/429396587.db2.gz DTZNAIJFDWBUPB-QGZVFWFLSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CCC(CC(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)CC1 ZINC000365881924 429396592 /nfs/dbraw/zinc/39/65/92/429396592.db2.gz DTZNAIJFDWBUPB-QGZVFWFLSA-N 1 3 321.509 2.632 20 0 DFADHO O[C@@H]1CCCC[C@H]1CCCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425897984 429351025 /nfs/dbraw/zinc/35/10/25/429351025.db2.gz XBJQBZRMQJVBNH-MAUKXSAKSA-N 1 3 321.465 2.563 20 0 DFADHO CC(C)(CNCc1cc(C2CC[NH2+]CC2)no1)c1ccccn1 ZINC000425895619 429351253 /nfs/dbraw/zinc/35/12/53/429351253.db2.gz KAYGBNFGAZUINA-UHFFFAOYSA-N 1 3 314.433 2.604 20 0 DFADHO c1cc2c(cccc2CCNCc2cc(C3CC[NH2+]CC3)no2)[nH]1 ZINC000425898099 429351803 /nfs/dbraw/zinc/35/18/03/429351803.db2.gz XVJCHNYQOSGFPV-UHFFFAOYSA-N 1 3 324.428 2.955 20 0 DFADHO CN1CC[C@H](C[N@H+](C)Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449265851 429371574 /nfs/dbraw/zinc/37/15/74/429371574.db2.gz RWSVERLOLVBULG-INIZCTEOSA-N 1 3 304.434 2.622 20 0 DFADHO CN1CC[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449265851 429371577 /nfs/dbraw/zinc/37/15/77/429371577.db2.gz RWSVERLOLVBULG-INIZCTEOSA-N 1 3 304.434 2.622 20 0 DFADHO COCC(C)(C)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000426360499 429384923 /nfs/dbraw/zinc/38/49/23/429384923.db2.gz ZOLRQYTWCYSNBL-UHFFFAOYSA-N 1 3 305.466 2.902 20 0 DFADHO COCC(C)(C)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000426360499 429384926 /nfs/dbraw/zinc/38/49/26/429384926.db2.gz ZOLRQYTWCYSNBL-UHFFFAOYSA-N 1 3 305.466 2.902 20 0 DFADHO C[NH+](C)CC1(C(=O)NCCN2CCCC(C)(C)C2)CCCCC1 ZINC000427422506 429450001 /nfs/dbraw/zinc/45/00/01/429450001.db2.gz VWWDQHWCEBKGNW-UHFFFAOYSA-N 1 3 323.525 2.737 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@H](C)CCC[NH3+])cc1)C1CC1 ZINC000449571347 429452801 /nfs/dbraw/zinc/45/28/01/429452801.db2.gz JVRSIVBMZJWNSW-CQSZACIVSA-N 1 3 303.450 2.528 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H](O)C(F)F ZINC000449425052 429412883 /nfs/dbraw/zinc/41/28/83/429412883.db2.gz QXFCAMKPWNDSEG-HUUCEWRRSA-N 1 3 304.425 2.778 20 0 DFADHO C(CC12CC3CC(CC(C3)C1)C2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261626196 275722280 /nfs/dbraw/zinc/72/22/80/275722280.db2.gz CPMWAHCZFHTAMD-WFRNDULYSA-N 1 3 317.521 2.572 20 0 DFADHO CCC[C@H](N)C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000518369879 429419416 /nfs/dbraw/zinc/41/94/16/429419416.db2.gz CYHMQSRESJJANS-SZMVWBNQSA-N 1 3 319.493 2.996 20 0 DFADHO CO[C@@H]1COCC[C@@H]1C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000449449901 429421328 /nfs/dbraw/zinc/42/13/28/429421328.db2.gz AERJTXJTYRWQJX-ZAWLATJESA-N 1 3 324.509 2.671 20 0 DFADHO CO[C@@H]1COCC[C@@H]1CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449449901 429421333 /nfs/dbraw/zinc/42/13/33/429421333.db2.gz AERJTXJTYRWQJX-ZAWLATJESA-N 1 3 324.509 2.671 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CCCC[C@H]1CN(C)C ZINC000518689950 429430214 /nfs/dbraw/zinc/43/02/14/429430214.db2.gz XCZBTINSUDWFIA-KRWDZBQOSA-N 1 3 311.514 2.831 20 0 DFADHO COc1ccc(C[C@H](C)CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000427119743 429432852 /nfs/dbraw/zinc/43/28/52/429432852.db2.gz MFWSPELGOHPDNN-YSVLISHTSA-N 1 3 306.425 2.697 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000294910434 275748362 /nfs/dbraw/zinc/74/83/62/275748362.db2.gz CCECRYGOQWOEQS-OKZBNKHCSA-N 1 3 317.477 2.834 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000427871809 429475919 /nfs/dbraw/zinc/47/59/19/429475919.db2.gz IYUUABVJAIEPIT-IAGOWNOFSA-N 1 3 311.514 2.734 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000427871809 429475923 /nfs/dbraw/zinc/47/59/23/429475923.db2.gz IYUUABVJAIEPIT-IAGOWNOFSA-N 1 3 311.514 2.734 20 0 DFADHO C[C@H](C(=O)Nc1ccccc1C[NH+](C)C)N1CCCCCC1 ZINC000519676258 429478059 /nfs/dbraw/zinc/47/80/59/429478059.db2.gz HVJFVOPAWCYNCR-OAHLLOKOSA-N 1 3 303.450 2.951 20 0 DFADHO COc1cc(F)cc(C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000449783046 429509057 /nfs/dbraw/zinc/50/90/57/429509057.db2.gz MVZCPRYGSWYFGY-RRQGHBQHSA-N 1 3 306.425 2.982 20 0 DFADHO COc1cc(F)cc(C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000449783046 429509061 /nfs/dbraw/zinc/50/90/61/429509061.db2.gz MVZCPRYGSWYFGY-RRQGHBQHSA-N 1 3 306.425 2.982 20 0 DFADHO COC(=O)[C@H](CC(C)C)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367132708 429584612 /nfs/dbraw/zinc/58/46/12/429584612.db2.gz FPSFXJBKCDBAEZ-WBVHZDCISA-N 1 3 322.493 2.770 20 0 DFADHO COC(=O)[C@H](CC(C)C)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367132708 429584617 /nfs/dbraw/zinc/58/46/17/429584617.db2.gz FPSFXJBKCDBAEZ-WBVHZDCISA-N 1 3 322.493 2.770 20 0 DFADHO C[S@@](=O)C1(CNC2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000367162459 429588253 /nfs/dbraw/zinc/58/82/53/429588253.db2.gz BNCCCRPZQXJCPL-OAQYLSRUSA-N 1 3 312.523 2.674 20 0 DFADHO CCN(Cc1ccc(C(=O)NCC([NH3+])(CC)CC)cc1)C1CC1 ZINC000429642045 429622675 /nfs/dbraw/zinc/62/26/75/429622675.db2.gz XSZJDGRARRBVFM-UHFFFAOYSA-N 1 3 317.477 2.918 20 0 DFADHO CN(CCN1CC[C@H](C[N@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000450456778 429631273 /nfs/dbraw/zinc/63/12/73/429631273.db2.gz UJVNCTXCWLKVAT-HXUWFJFHSA-N 1 3 315.505 2.782 20 0 DFADHO CN(CCN1CC[C@H](C[N@@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000450456778 429631275 /nfs/dbraw/zinc/63/12/75/429631275.db2.gz UJVNCTXCWLKVAT-HXUWFJFHSA-N 1 3 315.505 2.782 20 0 DFADHO CCC[NH+]1CCC(NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000429422554 429608667 /nfs/dbraw/zinc/60/86/67/429608667.db2.gz ZSNWMWMYHBJVQQ-OALUTQOASA-N 1 3 320.452 2.756 20 0 DFADHO Cc1cc(NC(=O)CN2[C@H](C)CC[C@@H]2C)ccc1C[NH+](C)C ZINC000458268332 429610327 /nfs/dbraw/zinc/61/03/27/429610327.db2.gz GLUHQLRYFNZHMA-GASCZTMLSA-N 1 3 303.450 2.868 20 0 DFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H](C)N2CCCCCC2)cc1 ZINC000429485642 429610826 /nfs/dbraw/zinc/61/08/26/429610826.db2.gz UFVCEVHAYIYVBX-HUUCEWRRSA-N 1 3 303.450 2.587 20 0 DFADHO CCN(CCCN1CCC[C@@H]([NH+](C)C)CC1)CC(F)(F)F ZINC000429536165 429613809 /nfs/dbraw/zinc/61/38/09/429613809.db2.gz JMRMLTXGZBGQGG-CQSZACIVSA-N 1 3 309.420 2.677 20 0 DFADHO CCN(CCC[N@@H+]1CCC[C@@H](N(C)C)CC1)CC(F)(F)F ZINC000429536165 429613813 /nfs/dbraw/zinc/61/38/13/429613813.db2.gz JMRMLTXGZBGQGG-CQSZACIVSA-N 1 3 309.420 2.677 20 0 DFADHO CCN(CCC[N@H+]1CCC[C@@H](N(C)C)CC1)CC(F)(F)F ZINC000429536165 429613817 /nfs/dbraw/zinc/61/38/17/429613817.db2.gz JMRMLTXGZBGQGG-CQSZACIVSA-N 1 3 309.420 2.677 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@H]1CCCCC1(F)F ZINC000450598602 429658138 /nfs/dbraw/zinc/65/81/38/429658138.db2.gz JQAACYVRXLWARL-FPCVCCKLSA-N 1 3 316.436 2.995 20 0 DFADHO C[N@H+](CC[C@@H]1CCOC1)[C@@H]1CCCN(CC[C@H]2CCOC2)CC1 ZINC000450613005 429661226 /nfs/dbraw/zinc/66/12/26/429661226.db2.gz LUYKAQDMQAHANE-CEXWTWQISA-N 1 3 324.509 2.626 20 0 DFADHO C[N@@H+](CC[C@@H]1CCOC1)[C@@H]1CCCN(CC[C@H]2CCOC2)CC1 ZINC000450613005 429661229 /nfs/dbraw/zinc/66/12/29/429661229.db2.gz LUYKAQDMQAHANE-CEXWTWQISA-N 1 3 324.509 2.626 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@H]2CCC[C@H]21 ZINC000367517651 429663700 /nfs/dbraw/zinc/66/37/00/429663700.db2.gz CVPGILXNHSZOEU-FGTMMUONSA-N 1 3 315.461 2.833 20 0 DFADHO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000367539335 429667718 /nfs/dbraw/zinc/66/77/18/429667718.db2.gz YRUUNJBICRTDNK-FDQGKXFDSA-N 1 3 304.482 2.507 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000154315564 276194993 /nfs/dbraw/zinc/19/49/93/276194993.db2.gz ZSTJAFBNLUSOSD-SFHVURJKSA-N 1 3 321.896 2.945 20 0 DFADHO CC1CCN(CCC[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000236701938 276196827 /nfs/dbraw/zinc/19/68/27/276196827.db2.gz OQWRLYPVFBBTAU-UHFFFAOYSA-N 1 3 321.431 2.725 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2F)C[C@H]1C ZINC000354211859 276213845 /nfs/dbraw/zinc/21/38/45/276213845.db2.gz YPRYQLCKPIILQE-HUUCEWRRSA-N 1 3 321.440 2.959 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2F)C[C@H]1C ZINC000354211859 276213846 /nfs/dbraw/zinc/21/38/46/276213846.db2.gz YPRYQLCKPIILQE-HUUCEWRRSA-N 1 3 321.440 2.959 20 0 DFADHO CCN1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000132326663 276216633 /nfs/dbraw/zinc/21/66/33/276216633.db2.gz ZZOAIRICSVPTKD-YLJYHZDGSA-N 1 3 315.505 2.971 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](C)N2CCc3ccccc32)[C@H](C)C1 ZINC000246969225 276229354 /nfs/dbraw/zinc/22/93/54/276229354.db2.gz JIPLQTHWIHISBU-RYRKJORJSA-N 1 3 301.478 2.758 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](C)N2CCc3ccccc32)[C@H](C)C1 ZINC000246969225 276229356 /nfs/dbraw/zinc/22/93/56/276229356.db2.gz JIPLQTHWIHISBU-RYRKJORJSA-N 1 3 301.478 2.758 20 0 DFADHO Cc1ccccc1OCCCN1CCC(OCCC[NH3+])CC1 ZINC000430553161 429690225 /nfs/dbraw/zinc/69/02/25/429690225.db2.gz CUFBFPQBUKLFNV-UHFFFAOYSA-N 1 3 306.450 2.594 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367606544 429685374 /nfs/dbraw/zinc/68/53/74/429685374.db2.gz KATHSVPRGHYXMV-ZWQIFLOQSA-N 1 3 318.461 2.925 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367606544 429685378 /nfs/dbraw/zinc/68/53/78/429685378.db2.gz KATHSVPRGHYXMV-ZWQIFLOQSA-N 1 3 318.461 2.925 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000116309204 276359251 /nfs/dbraw/zinc/35/92/51/276359251.db2.gz YYSHVIPASDVOOF-INIZCTEOSA-N 1 3 323.525 2.735 20 0 DFADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000430591041 429698379 /nfs/dbraw/zinc/69/83/79/429698379.db2.gz JNONHGFIHWPAPJ-HNNXBMFYSA-N 1 3 311.857 2.974 20 0 DFADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC(C[NH3+])CC1 ZINC000430636629 429705937 /nfs/dbraw/zinc/70/59/37/429705937.db2.gz YYFXQKQXBNUGBE-QWHCGFSZSA-N 1 3 323.868 2.576 20 0 DFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000430889155 429721595 /nfs/dbraw/zinc/72/15/95/429721595.db2.gz LWPMBNFJPDPWQC-YVSFHVDLSA-N 1 3 309.498 2.663 20 0 DFADHO CCOc1cc(CN2CCC3(CC[NH2+]C3)CC2)ccc1OC ZINC000430930144 429725385 /nfs/dbraw/zinc/72/53/85/429725385.db2.gz ZNEGMDOBFSWGIW-UHFFFAOYSA-N 1 3 304.434 2.669 20 0 DFADHO CCCCCN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000484088208 429739917 /nfs/dbraw/zinc/73/99/17/429739917.db2.gz YCGBCUZAKFXURL-UHFFFAOYSA-N 1 3 319.493 2.939 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450984592 429744018 /nfs/dbraw/zinc/74/40/18/429744018.db2.gz WWXJMWSKFXTYLC-NYJIRUKSSA-N 1 3 302.462 2.708 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450984592 429744020 /nfs/dbraw/zinc/74/40/20/429744020.db2.gz WWXJMWSKFXTYLC-NYJIRUKSSA-N 1 3 302.462 2.708 20 0 DFADHO CCCC1CCC(N(C)CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000484887587 429744172 /nfs/dbraw/zinc/74/41/72/429744172.db2.gz NMVFJOYWPGJAFW-UHFFFAOYSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCN(C)Cc1ccccc1 ZINC000450980926 429744878 /nfs/dbraw/zinc/74/48/78/429744878.db2.gz HCRCSOWOXNMIBM-IEBWSBKVSA-N 1 3 301.478 2.677 20 0 DFADHO CCN1CCc2c(cccc2NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000368144380 429797543 /nfs/dbraw/zinc/79/75/43/429797543.db2.gz UURDJTAQVOWADF-UHFFFAOYSA-N 1 3 315.461 2.735 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)C[C@H]1CCCCC1(F)F ZINC000451041420 429753826 /nfs/dbraw/zinc/75/38/26/429753826.db2.gz NNCCLWNRMXQFNC-OAHLLOKOSA-N 1 3 305.457 2.627 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@H]1CCCCC1(F)F ZINC000451041420 429753831 /nfs/dbraw/zinc/75/38/31/429753831.db2.gz NNCCLWNRMXQFNC-OAHLLOKOSA-N 1 3 305.457 2.627 20 0 DFADHO CN(C)C[C@@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000431596912 429772367 /nfs/dbraw/zinc/77/23/67/429772367.db2.gz QVRZLEKTUUSEFZ-ZWKOTPCHSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)C[C@@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000431596912 429772370 /nfs/dbraw/zinc/77/23/70/429772370.db2.gz QVRZLEKTUUSEFZ-ZWKOTPCHSA-N 1 3 317.477 2.670 20 0 DFADHO c1cc2ccc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)cc2[nH]1 ZINC000527662946 429775651 /nfs/dbraw/zinc/77/56/51/429775651.db2.gz UVKRTHLKAMJHNP-MRXNPFEDSA-N 1 3 313.445 2.758 20 0 DFADHO C[C@@H]1CCCN(CCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000431748853 429781065 /nfs/dbraw/zinc/78/10/65/429781065.db2.gz JCLJPVOXPJZHNC-AEFFLSMTSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431741289 429781125 /nfs/dbraw/zinc/78/11/25/429781125.db2.gz JKRNNHWOJWCUOO-AEFFLSMTSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431741289 429781128 /nfs/dbraw/zinc/78/11/28/429781128.db2.gz JKRNNHWOJWCUOO-AEFFLSMTSA-N 1 3 321.509 2.774 20 0 DFADHO CC1CCN(CCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431742855 429781489 /nfs/dbraw/zinc/78/14/89/429781489.db2.gz MLDQCYJSMTWYCT-GOSISDBHSA-N 1 3 317.477 2.528 20 0 DFADHO FC1(F)Oc2cccc(CCN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2O1 ZINC000527754331 429792174 /nfs/dbraw/zinc/79/21/74/429792174.db2.gz JRKVOLGVQIWTDO-UONOGXRCSA-N 1 3 324.371 2.767 20 0 DFADHO FC1(F)Oc2cccc(CCN[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2O1 ZINC000527754331 429792178 /nfs/dbraw/zinc/79/21/78/429792178.db2.gz JRKVOLGVQIWTDO-UONOGXRCSA-N 1 3 324.371 2.767 20 0 DFADHO C[NH+]1CCC([C@H]2CCN(Cc3cnc(C(C)(C)C)nc3)C2)CC1 ZINC000368131581 429795525 /nfs/dbraw/zinc/79/55/25/429795525.db2.gz ATLNZIXJKKMBRL-KRWDZBQOSA-N 1 3 316.493 2.938 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000451372836 429818490 /nfs/dbraw/zinc/81/84/90/429818490.db2.gz QYQBRUPVRLOCJR-WCIQWLHISA-N 1 3 317.521 2.547 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000451372836 429818492 /nfs/dbraw/zinc/81/84/92/429818492.db2.gz QYQBRUPVRLOCJR-WCIQWLHISA-N 1 3 317.521 2.547 20 0 DFADHO CCC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccnc1 ZINC000368330021 429830994 /nfs/dbraw/zinc/83/09/94/429830994.db2.gz VIOBXJIFWIRYCZ-IEBWSBKVSA-N 1 3 316.493 2.681 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC4COC4)[C@H]3C2)cc1 ZINC000528027396 429838150 /nfs/dbraw/zinc/83/81/50/429838150.db2.gz SWKDCIZXVIDWIB-FHWLQOOXSA-N 1 3 300.446 2.523 20 0 DFADHO Cc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc2n1 ZINC000432866520 429845829 /nfs/dbraw/zinc/84/58/29/429845829.db2.gz LVDGJTHCCDEUST-INIZCTEOSA-N 1 3 313.445 2.878 20 0 DFADHO Cc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc2n1 ZINC000432866520 429845833 /nfs/dbraw/zinc/84/58/33/429845833.db2.gz LVDGJTHCCDEUST-INIZCTEOSA-N 1 3 313.445 2.878 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000528409004 429885837 /nfs/dbraw/zinc/88/58/37/429885837.db2.gz VSLJPFZOANSFPK-QRQLOZEOSA-N 1 3 320.452 2.799 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000528409004 429885839 /nfs/dbraw/zinc/88/58/39/429885839.db2.gz VSLJPFZOANSFPK-QRQLOZEOSA-N 1 3 320.452 2.799 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000528409004 429885841 /nfs/dbraw/zinc/88/58/41/429885841.db2.gz VSLJPFZOANSFPK-QRQLOZEOSA-N 1 3 320.452 2.799 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000528409004 429885843 /nfs/dbraw/zinc/88/58/43/429885843.db2.gz VSLJPFZOANSFPK-QRQLOZEOSA-N 1 3 320.452 2.799 20 0 DFADHO c1cc(CN2CCC3(CC[N@H+](Cc4ccncc4)C3)CC2)ccn1 ZINC000368770112 429893036 /nfs/dbraw/zinc/89/30/36/429893036.db2.gz MHEQNCRNXCZEMR-UHFFFAOYSA-N 1 3 322.456 2.965 20 0 DFADHO c1cc(CN2CCC3(CC[N@@H+](Cc4ccncc4)C3)CC2)ccn1 ZINC000368770112 429893037 /nfs/dbraw/zinc/89/30/37/429893037.db2.gz MHEQNCRNXCZEMR-UHFFFAOYSA-N 1 3 322.456 2.965 20 0 DFADHO C[N@H+](C[C@H](O)CN1CC[C@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745441 429911948 /nfs/dbraw/zinc/91/19/48/429911948.db2.gz PVOUMRDQRJMGDI-ZWKOTPCHSA-N 1 3 320.452 2.849 20 0 DFADHO C[N@@H+](C[C@H](O)CN1CC[C@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745441 429911949 /nfs/dbraw/zinc/91/19/49/429911949.db2.gz PVOUMRDQRJMGDI-ZWKOTPCHSA-N 1 3 320.452 2.849 20 0 DFADHO COCC1([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000573124514 429929251 /nfs/dbraw/zinc/92/92/51/429929251.db2.gz RHVPDQWGYFNDHN-FGTMMUONSA-N 1 3 300.446 2.666 20 0 DFADHO COCC1(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000573124514 429929255 /nfs/dbraw/zinc/92/92/55/429929255.db2.gz RHVPDQWGYFNDHN-FGTMMUONSA-N 1 3 300.446 2.666 20 0 DFADHO COCC1(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000573124514 429929257 /nfs/dbraw/zinc/92/92/57/429929257.db2.gz RHVPDQWGYFNDHN-FGTMMUONSA-N 1 3 300.446 2.666 20 0 DFADHO C[C@@H](C[C@H](C)[NH2+]CC1=CCN(C)CC1)NC(=O)OC(C)(C)C ZINC000494418800 429871067 /nfs/dbraw/zinc/87/10/67/429871067.db2.gz QXRUQZYYQPEWPQ-KBPBESRZSA-N 1 3 311.470 2.530 20 0 DFADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)cc1OC(F)F ZINC000573458927 429955259 /nfs/dbraw/zinc/95/52/59/429955259.db2.gz KOYXYZACOYSQSX-CHWSQXEVSA-N 1 3 314.376 2.699 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC(F)F ZINC000573458927 429955262 /nfs/dbraw/zinc/95/52/62/429955262.db2.gz KOYXYZACOYSQSX-CHWSQXEVSA-N 1 3 314.376 2.699 20 0 DFADHO CC(C)Oc1ccnc(CN2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639756507 429970533 /nfs/dbraw/zinc/97/05/33/429970533.db2.gz WGGAOIQDUPAGRD-UHFFFAOYSA-N 1 3 303.450 2.787 20 0 DFADHO c1ccc2c(c1)CCN2CC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639682862 429943740 /nfs/dbraw/zinc/94/37/40/429943740.db2.gz BPABCFDAMMLSHM-UHFFFAOYSA-N 1 3 322.456 2.656 20 0 DFADHO c1ccc2c(c1)CCN2CC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639682862 429943748 /nfs/dbraw/zinc/94/37/48/429943748.db2.gz BPABCFDAMMLSHM-UHFFFAOYSA-N 1 3 322.456 2.656 20 0 DFADHO c1cnn(CCCCC[N@@H+]2CCCN(c3ccncc3)CC2)c1 ZINC000639682995 429944081 /nfs/dbraw/zinc/94/40/81/429944081.db2.gz PHZDDPFDTFEPDN-UHFFFAOYSA-N 1 3 313.449 2.661 20 0 DFADHO c1cnn(CCCCC[N@H+]2CCCN(c3ccncc3)CC2)c1 ZINC000639682995 429944083 /nfs/dbraw/zinc/94/40/83/429944083.db2.gz PHZDDPFDTFEPDN-UHFFFAOYSA-N 1 3 313.449 2.661 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000557578739 429944874 /nfs/dbraw/zinc/94/48/74/429944874.db2.gz NDHMALOUEBYMQW-UHFFFAOYSA-N 1 3 323.525 2.975 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000557578739 429944879 /nfs/dbraw/zinc/94/48/79/429944879.db2.gz NDHMALOUEBYMQW-UHFFFAOYSA-N 1 3 323.525 2.975 20 0 DFADHO CCC[N@@H+]1CC[C@H](CNCCC(=O)Nc2cccc(F)c2C)C1 ZINC000574032836 430004142 /nfs/dbraw/zinc/00/41/42/430004142.db2.gz YHPXPXVIRFSMGO-OAHLLOKOSA-N 1 3 321.440 2.784 20 0 DFADHO CCC[N@H+]1CC[C@H](CNCCC(=O)Nc2cccc(F)c2C)C1 ZINC000574032836 430004146 /nfs/dbraw/zinc/00/41/46/430004146.db2.gz YHPXPXVIRFSMGO-OAHLLOKOSA-N 1 3 321.440 2.784 20 0 DFADHO CCCN1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2C)C1 ZINC000574032836 430004151 /nfs/dbraw/zinc/00/41/51/430004151.db2.gz YHPXPXVIRFSMGO-OAHLLOKOSA-N 1 3 321.440 2.784 20 0 DFADHO COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCN(C(C)C)C1)C2 ZINC000561976897 430103486 /nfs/dbraw/zinc/10/34/86/430103486.db2.gz VVDHWBYHCRHFFB-NVXWUHKLSA-N 1 3 302.462 2.872 20 0 DFADHO [NH3+][C@H]1CCCCC[C@H]1NCC1(CO)CC(c2ccccc2)C1 ZINC000580946272 430164561 /nfs/dbraw/zinc/16/45/61/430164561.db2.gz TYULXPHKKVCOFR-CXUOOODFSA-N 1 3 302.462 2.792 20 0 DFADHO C[C@H]1COC(C)(C)CN1CCCC[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000562350016 430121660 /nfs/dbraw/zinc/12/16/60/430121660.db2.gz QLWJKKZBDBSHIE-HOTGVXAUSA-N 1 3 312.498 2.765 20 0 DFADHO C[C@H]1COC(C)(C)CN1CCCC[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000562350016 430121662 /nfs/dbraw/zinc/12/16/62/430121662.db2.gz QLWJKKZBDBSHIE-HOTGVXAUSA-N 1 3 312.498 2.765 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCCN(C)C)C[C@H](C)O1 ZINC000562519574 430141562 /nfs/dbraw/zinc/14/15/62/430141562.db2.gz NWVMMQJPGNPZFO-SCAQPMJSSA-N 1 3 306.450 2.673 20 0 DFADHO C[N@H+](CCO)C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000637832340 430142352 /nfs/dbraw/zinc/14/23/52/430142352.db2.gz HBAYGAPWFXXBLU-IBGZPJMESA-N 1 3 304.478 2.849 20 0 DFADHO C[N@@H+](CCO)C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000637832340 430142356 /nfs/dbraw/zinc/14/23/56/430142356.db2.gz HBAYGAPWFXXBLU-IBGZPJMESA-N 1 3 304.478 2.849 20 0 DFADHO Cc1ccc2c(c1)[C@@H](Nc1cc(N3CCNCC3)cc[nH+]1)CC2 ZINC000635007724 430193247 /nfs/dbraw/zinc/19/32/47/430193247.db2.gz GNQJSJBLEFOWTC-SFHVURJKSA-N 1 3 308.429 2.899 20 0 DFADHO Cc1nc(C)c([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)s1 ZINC000635007241 430193386 /nfs/dbraw/zinc/19/33/86/430193386.db2.gz FIXRGNVHFZPEKC-LBPRGKRZSA-N 1 3 317.462 2.738 20 0 DFADHO CC(C)n1ccc(C[C@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000635008155 430193491 /nfs/dbraw/zinc/19/34/91/430193491.db2.gz QVRGJGXOIZCUAJ-FUHWJXTLSA-N 1 3 314.477 2.945 20 0 DFADHO CC(C)n1ccc(C[C@H](C)[NH2+]CC[C@@H](N)Cc2ccccc2)n1 ZINC000635008155 430193495 /nfs/dbraw/zinc/19/34/95/430193495.db2.gz QVRGJGXOIZCUAJ-FUHWJXTLSA-N 1 3 314.477 2.945 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc3c(c2)OCCCO3)[C@@H]2CCC[C@H]21 ZINC000375808462 277172320 /nfs/dbraw/zinc/17/23/20/277172320.db2.gz RVPOXBPLWWENDI-YESZJQIVSA-N 1 3 316.445 2.810 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc3c(c2)OCCCO3)[C@@H]2CCC[C@H]21 ZINC000375808462 277172322 /nfs/dbraw/zinc/17/23/22/277172322.db2.gz RVPOXBPLWWENDI-YESZJQIVSA-N 1 3 316.445 2.810 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@@H]2CCC[C@H]21 ZINC000375808462 277172323 /nfs/dbraw/zinc/17/23/23/277172323.db2.gz RVPOXBPLWWENDI-YESZJQIVSA-N 1 3 316.445 2.810 20 0 DFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000231720471 277201895 /nfs/dbraw/zinc/20/18/95/277201895.db2.gz AMTPKTXKWARXFK-LVQVYYBASA-N 1 3 323.481 2.649 20 0 DFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000231720471 277201898 /nfs/dbraw/zinc/20/18/98/277201898.db2.gz AMTPKTXKWARXFK-LVQVYYBASA-N 1 3 323.481 2.649 20 0 DFADHO c1ccc2c(c1)OCCC[C@@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010538 430195649 /nfs/dbraw/zinc/19/56/49/430195649.db2.gz SXZWABAWBJHWRX-KRWDZBQOSA-N 1 3 324.428 2.817 20 0 DFADHO Fc1ccc2c(c1)CC[C@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635011071 430195961 /nfs/dbraw/zinc/19/59/61/430195961.db2.gz XFUHJBPIVNRGPG-QGZVFWFLSA-N 1 3 312.392 2.730 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@H]1CCCNC1 ZINC000635013780 430198322 /nfs/dbraw/zinc/19/83/22/430198322.db2.gz VRRNARPRVMLPGG-MBGYTDRXSA-N 1 3 306.425 2.881 20 0 DFADHO CC(C)[C@H]1CCN(CC2(C[N@@H+]3CC[C@@H](C(C)C)C3)COC2)C1 ZINC000541999892 430199301 /nfs/dbraw/zinc/19/93/01/430199301.db2.gz FKDNIAAENGDQLD-HDICACEKSA-N 1 3 308.510 2.959 20 0 DFADHO CC(C)[C@H]1CCN(CC2(C[N@H+]3CC[C@@H](C(C)C)C3)COC2)C1 ZINC000541999892 430199304 /nfs/dbraw/zinc/19/93/04/430199304.db2.gz FKDNIAAENGDQLD-HDICACEKSA-N 1 3 308.510 2.959 20 0 DFADHO CC(C)[C@H]1CC[N@@H+](CC2(CN3CC[C@@H](C(C)C)C3)COC2)C1 ZINC000541999892 430199307 /nfs/dbraw/zinc/19/93/07/430199307.db2.gz FKDNIAAENGDQLD-HDICACEKSA-N 1 3 308.510 2.959 20 0 DFADHO CC(C)[C@H]1CC[N@H+](CC2(CN3CC[C@@H](C(C)C)C3)COC2)C1 ZINC000541999892 430199309 /nfs/dbraw/zinc/19/93/09/430199309.db2.gz FKDNIAAENGDQLD-HDICACEKSA-N 1 3 308.510 2.959 20 0 DFADHO CC(C)C(=O)N1CCC(N[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000262299399 277328470 /nfs/dbraw/zinc/32/84/70/277328470.db2.gz OICCCLVAQOYVPE-WBVHZDCISA-N 1 3 309.498 2.534 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000638062827 430223286 /nfs/dbraw/zinc/22/32/86/430223286.db2.gz IOMCGKDXOYOMST-GOSISDBHSA-N 1 3 319.493 2.907 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000638062827 430223290 /nfs/dbraw/zinc/22/32/90/430223290.db2.gz IOMCGKDXOYOMST-GOSISDBHSA-N 1 3 319.493 2.907 20 0 DFADHO C[N@@H+](Cc1ccc(=O)[nH]c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000638066187 430224081 /nfs/dbraw/zinc/22/40/81/430224081.db2.gz FECRTSIOBNASJZ-SFHVURJKSA-N 1 3 311.429 2.741 20 0 DFADHO C[N@H+](Cc1ccc(=O)[nH]c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000638066187 430224084 /nfs/dbraw/zinc/22/40/84/430224084.db2.gz FECRTSIOBNASJZ-SFHVURJKSA-N 1 3 311.429 2.741 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000565488380 430215432 /nfs/dbraw/zinc/21/54/32/430215432.db2.gz FTNKJNZSCCLHTF-MAUKXSAKSA-N 1 3 320.477 2.608 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000565488380 430215435 /nfs/dbraw/zinc/21/54/35/430215435.db2.gz FTNKJNZSCCLHTF-MAUKXSAKSA-N 1 3 320.477 2.608 20 0 DFADHO Cc1ccc(NC(=O)[C@@H](N)CCC(C)C)c(OCC[NH+](C)C)c1 ZINC000638119609 430242429 /nfs/dbraw/zinc/24/24/29/430242429.db2.gz VBUHUZSFTUJTRN-HNNXBMFYSA-N 1 3 321.465 2.637 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635323718 430254218 /nfs/dbraw/zinc/25/42/18/430254218.db2.gz AVQBCCSJEIJFOC-WMZOPIPTSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635323718 430254223 /nfs/dbraw/zinc/25/42/23/430254223.db2.gz AVQBCCSJEIJFOC-WMZOPIPTSA-N 1 3 321.509 2.774 20 0 DFADHO CC1CC[NH+](CCCCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC000635341543 430257198 /nfs/dbraw/zinc/25/71/98/430257198.db2.gz NXEIBCRCVUYOIB-UHFFFAOYSA-N 1 3 311.514 2.593 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000567179971 430280252 /nfs/dbraw/zinc/28/02/52/430280252.db2.gz ZWHLHWXWPUMAFV-QWHCGFSZSA-N 1 3 310.825 2.513 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000567179971 430280256 /nfs/dbraw/zinc/28/02/56/430280256.db2.gz ZWHLHWXWPUMAFV-QWHCGFSZSA-N 1 3 310.825 2.513 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](N)CCC(C)C)CC1 ZINC000638066399 430226319 /nfs/dbraw/zinc/22/63/19/430226319.db2.gz ICGGBDHWBVKRED-QGZVFWFLSA-N 1 3 311.514 2.720 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](N)CCC(C)C)CC1 ZINC000638066399 430226323 /nfs/dbraw/zinc/22/63/23/430226323.db2.gz ICGGBDHWBVKRED-QGZVFWFLSA-N 1 3 311.514 2.720 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000635189064 430226455 /nfs/dbraw/zinc/22/64/55/430226455.db2.gz OKWIOHUXLCJWNF-AEFFLSMTSA-N 1 3 317.477 2.528 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000635189064 430226457 /nfs/dbraw/zinc/22/64/57/430226457.db2.gz OKWIOHUXLCJWNF-AEFFLSMTSA-N 1 3 317.477 2.528 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000635189066 430226764 /nfs/dbraw/zinc/22/67/64/430226764.db2.gz OKWIOHUXLCJWNF-SJLPKXTDSA-N 1 3 317.477 2.528 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000635189066 430226770 /nfs/dbraw/zinc/22/67/70/430226770.db2.gz OKWIOHUXLCJWNF-SJLPKXTDSA-N 1 3 317.477 2.528 20 0 DFADHO CN(CCCO)C1CC[NH+](CC(C)(C)Oc2ccccc2)CC1 ZINC000638082133 430230991 /nfs/dbraw/zinc/23/09/91/430230991.db2.gz FHUBFBRNGXVZNR-UHFFFAOYSA-N 1 3 320.477 2.623 20 0 DFADHO CSC[C@H](O)CNCc1ccccc1C[NH+]1CCCCCC1 ZINC000566118719 430240365 /nfs/dbraw/zinc/24/03/65/430240365.db2.gz YOTTUBFJFPEMMW-GOSISDBHSA-N 1 3 322.518 2.876 20 0 DFADHO C[C@H](C[C@@H]1CCCC(=O)N1)NCCC[N@H+](C)C1CCCCC1 ZINC000638299928 430297005 /nfs/dbraw/zinc/29/70/05/430297005.db2.gz FOPZCCVVSPPGJR-CVEARBPZSA-N 1 3 309.498 2.678 20 0 DFADHO C[C@H](C[C@@H]1CCCC(=O)N1)NCCC[N@@H+](C)C1CCCCC1 ZINC000638299928 430297008 /nfs/dbraw/zinc/29/70/08/430297008.db2.gz FOPZCCVVSPPGJR-CVEARBPZSA-N 1 3 309.498 2.678 20 0 DFADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCN(C)C1CCCCC1 ZINC000638299928 430297010 /nfs/dbraw/zinc/29/70/10/430297010.db2.gz FOPZCCVVSPPGJR-CVEARBPZSA-N 1 3 309.498 2.678 20 0 DFADHO COc1cc(F)c(CNCC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000568034140 430309349 /nfs/dbraw/zinc/30/93/49/430309349.db2.gz JTBCFZOAZIYJMY-CYBMUJFWSA-N 1 3 310.413 2.664 20 0 DFADHO COc1cc(F)c(CNCC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000568034140 430309352 /nfs/dbraw/zinc/30/93/52/430309352.db2.gz JTBCFZOAZIYJMY-CYBMUJFWSA-N 1 3 310.413 2.664 20 0 DFADHO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(CCN2CCCCC2)nn1 ZINC000641170098 430350645 /nfs/dbraw/zinc/35/06/45/430350645.db2.gz VSCBSPJSCVNIGK-SFHVURJKSA-N 1 3 319.497 2.569 20 0 DFADHO CC(C)[N@H+]1CCCC[C@H]1Cn1cc(CCN2CCCCC2)nn1 ZINC000641170098 430350646 /nfs/dbraw/zinc/35/06/46/430350646.db2.gz VSCBSPJSCVNIGK-SFHVURJKSA-N 1 3 319.497 2.569 20 0 DFADHO CCOC1CC(C[NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000638379935 430323961 /nfs/dbraw/zinc/32/39/61/430323961.db2.gz RLIPTVHFFZJVHA-UHFFFAOYSA-N 1 3 306.450 2.532 20 0 DFADHO COc1cc(C[C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)ccn1 ZINC000638390954 430326816 /nfs/dbraw/zinc/32/68/16/430326816.db2.gz MYPNYFIEWNODCD-HZPDHXFCSA-N 1 3 305.466 2.733 20 0 DFADHO COc1cc(C[C@@H](C)NC[C@@H](C)C[NH+]2CCCCC2)ccn1 ZINC000638390954 430326817 /nfs/dbraw/zinc/32/68/17/430326817.db2.gz MYPNYFIEWNODCD-HZPDHXFCSA-N 1 3 305.466 2.733 20 0 DFADHO CC[C@H](C)CN(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568188946 430328482 /nfs/dbraw/zinc/32/84/82/430328482.db2.gz XIBFXFRTORPGPP-INIZCTEOSA-N 1 3 323.525 2.687 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccc(F)c(Br)c2)C1 ZINC000568249235 430338217 /nfs/dbraw/zinc/33/82/17/430338217.db2.gz LKQUKLXBWXJREU-NWDGAFQWSA-N 1 3 315.230 2.990 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)C1 ZINC000568249235 430338220 /nfs/dbraw/zinc/33/82/20/430338220.db2.gz LKQUKLXBWXJREU-NWDGAFQWSA-N 1 3 315.230 2.990 20 0 DFADHO CCOc1ccc(CC[NH2+][C@H]2CCC[C@H](N)C2)cc1OCC ZINC000568415142 430358439 /nfs/dbraw/zinc/35/84/39/430358439.db2.gz IOECGFFQRFWPOA-HOTGVXAUSA-N 1 3 306.450 2.886 20 0 DFADHO CCOc1ccc(CCN[C@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000568415142 430358443 /nfs/dbraw/zinc/35/84/43/430358443.db2.gz IOECGFFQRFWPOA-HOTGVXAUSA-N 1 3 306.450 2.886 20 0 DFADHO Cc1ccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)c(CN(C)C)c1 ZINC000568507449 430364094 /nfs/dbraw/zinc/36/40/94/430364094.db2.gz YUUXFSHJTBSQGQ-SFHVURJKSA-N 1 3 323.440 2.882 20 0 DFADHO Cc1ccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c(CN(C)C)c1 ZINC000568507448 430365071 /nfs/dbraw/zinc/36/50/71/430365071.db2.gz YUUXFSHJTBSQGQ-GOSISDBHSA-N 1 3 323.440 2.882 20 0 DFADHO Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000568531954 430369391 /nfs/dbraw/zinc/36/93/91/430369391.db2.gz UUJPJZIAZFRQNQ-QAPCUYQASA-N 1 3 310.445 2.958 20 0 DFADHO C[C@H]1C[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)CS1 ZINC000638539287 430372431 /nfs/dbraw/zinc/37/24/31/430372431.db2.gz MLLQYGJJNPPRDR-HOCLYGCPSA-N 1 3 308.491 2.653 20 0 DFADHO C[C@H](NC[C@H](c1cccs1)N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000568618663 430376275 /nfs/dbraw/zinc/37/62/75/430376275.db2.gz OKXBVZGTCJJOBA-HRCADAONSA-N 1 3 307.507 2.863 20 0 DFADHO CC[NH+]1CCC(CNCc2cc(OC)c(O)cc2Cl)CC1 ZINC000638562725 430376327 /nfs/dbraw/zinc/37/63/27/430376327.db2.gz BEQZBZVRHGAWCS-UHFFFAOYSA-N 1 3 312.841 2.876 20 0 DFADHO CSc1ccc([C@H](CN[C@H](C)[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000583257279 430377237 /nfs/dbraw/zinc/37/72/37/430377237.db2.gz XBOCADYFXPHYIV-KYJSFNMBSA-N 1 3 321.534 2.989 20 0 DFADHO CSc1ccc([C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000583257280 430377649 /nfs/dbraw/zinc/37/76/49/430377649.db2.gz XBOCADYFXPHYIV-LESCRADOSA-N 1 3 321.534 2.989 20 0 DFADHO CC[NH+]1CCC(CNCc2ccccc2OCCCCO)CC1 ZINC000638565925 430378173 /nfs/dbraw/zinc/37/81/73/430378173.db2.gz WDDHZIBUFDXCOS-UHFFFAOYSA-N 1 3 320.477 2.659 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000583257117 430378405 /nfs/dbraw/zinc/37/84/05/430378405.db2.gz HBNDEKZUQUTRNM-KYHPRHEASA-N 1 3 320.481 2.541 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000568646314 430379508 /nfs/dbraw/zinc/37/95/08/430379508.db2.gz DXOUFHNLGGWEPB-ZBFHGGJFSA-N 1 3 323.431 2.789 20 0 DFADHO C[C@@H]1C[C@H](NCCC(=O)Nc2cccc(Cl)c2)CC[N@@H+]1C ZINC000568740310 430385949 /nfs/dbraw/zinc/38/59/49/430385949.db2.gz FEMUPDZMUJCOCP-TZMCWYRMSA-N 1 3 309.841 2.741 20 0 DFADHO C[C@@H]1C[C@H](NCCC(=O)Nc2cccc(Cl)c2)CC[N@H+]1C ZINC000568740310 430385953 /nfs/dbraw/zinc/38/59/53/430385953.db2.gz FEMUPDZMUJCOCP-TZMCWYRMSA-N 1 3 309.841 2.741 20 0 DFADHO C[C@H]1C[C@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)CCN1C ZINC000548060381 430442061 /nfs/dbraw/zinc/44/20/61/430442061.db2.gz WGHYGWIDVNSQDB-DOTOQJQBSA-N 1 3 309.498 2.582 20 0 DFADHO C[C@H]1C[C@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CCN1C ZINC000548060381 430442066 /nfs/dbraw/zinc/44/20/66/430442066.db2.gz WGHYGWIDVNSQDB-DOTOQJQBSA-N 1 3 309.498 2.582 20 0 DFADHO C[N@H+](CCC(=O)NC[C@@H]1CCCCN1C1CC1)C1CCCCC1 ZINC000548065381 430443132 /nfs/dbraw/zinc/44/31/32/430443132.db2.gz HTDXLSHRILLFNX-SFHVURJKSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@@H+](CCC(=O)NC[C@@H]1CCCCN1C1CC1)C1CCCCC1 ZINC000548065381 430443135 /nfs/dbraw/zinc/44/31/35/430443135.db2.gz HTDXLSHRILLFNX-SFHVURJKSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@H+](CCC(=O)N1CC[C@H](N2CCCCC2)C1)C1CCCCC1 ZINC000548060844 430444235 /nfs/dbraw/zinc/44/42/35/430444235.db2.gz SVDSXHCJKHXDNN-SFHVURJKSA-N 1 3 321.509 2.728 20 0 DFADHO C[N@@H+](CCC(=O)N1CC[C@H](N2CCCCC2)C1)C1CCCCC1 ZINC000548060844 430444241 /nfs/dbraw/zinc/44/42/41/430444241.db2.gz SVDSXHCJKHXDNN-SFHVURJKSA-N 1 3 321.509 2.728 20 0 DFADHO CC(C)N1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548064642 430444318 /nfs/dbraw/zinc/44/43/18/430444318.db2.gz RJLBKQMMOPVMBG-MRXNPFEDSA-N 1 3 309.498 2.630 20 0 DFADHO CC(C)N1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548064642 430444325 /nfs/dbraw/zinc/44/43/25/430444325.db2.gz RJLBKQMMOPVMBG-MRXNPFEDSA-N 1 3 309.498 2.630 20 0 DFADHO CCO[C@@H]1C[C@H](NCc2cccc(C[NH+](C)C)c2)[C@]12CCCO2 ZINC000638851751 430454805 /nfs/dbraw/zinc/45/48/05/430454805.db2.gz RPKYGWHCNKFRSA-IPMKNSEASA-N 1 3 318.461 2.564 20 0 DFADHO CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@H]1CN2CCC1CC2 ZINC000638853439 430456396 /nfs/dbraw/zinc/45/63/96/430456396.db2.gz GSPJSOAENQANCW-MSOLQXFVSA-N 1 3 321.509 2.617 20 0 DFADHO CCC1([NH+]2CCCC2)CCN(C(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000638862328 430459020 /nfs/dbraw/zinc/45/90/20/430459020.db2.gz SISMGMROHSYNSG-UHFFFAOYSA-N 1 3 319.493 2.515 20 0 DFADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](N)CCC(C)C)CC1 ZINC000638862286 430459324 /nfs/dbraw/zinc/45/93/24/430459324.db2.gz QWMLYOXQNHGNKV-MRXNPFEDSA-N 1 3 309.498 2.617 20 0 DFADHO C[C@@H](C(=O)N(C)C(C)(C)C[NH+]1CCCC1)N1[C@H](C)CC[C@H]1C ZINC000584339892 430474269 /nfs/dbraw/zinc/47/42/69/430474269.db2.gz HUQIPISRLOAWMF-OAGGEKHMSA-N 1 3 309.498 2.581 20 0 DFADHO O=C(CC[NH2+]C[C@@H]1CCN(C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000569686686 430477273 /nfs/dbraw/zinc/47/72/73/430477273.db2.gz TXHOFEPYIRTBGC-ZDUSSCGKSA-N 1 3 321.852 2.743 20 0 DFADHO O=C(CCNC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000569686686 430477276 /nfs/dbraw/zinc/47/72/76/430477276.db2.gz TXHOFEPYIRTBGC-ZDUSSCGKSA-N 1 3 321.852 2.743 20 0 DFADHO O=C(CCNC[C@@H]1CC[N@H+](C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000569686686 430477278 /nfs/dbraw/zinc/47/72/78/430477278.db2.gz TXHOFEPYIRTBGC-ZDUSSCGKSA-N 1 3 321.852 2.743 20 0 DFADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000641806407 430478211 /nfs/dbraw/zinc/47/82/11/430478211.db2.gz RRIACEAYZCWLFB-OLZOCXBDSA-N 1 3 313.239 2.543 20 0 DFADHO C[C@H]([NH2+]C1CC(n2cccn2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000638973184 430485396 /nfs/dbraw/zinc/48/53/96/430485396.db2.gz YFIDRLXOTSZYTK-WMTDPASSSA-N 1 3 302.466 2.829 20 0 DFADHO Cc1ccc(CC[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)cc1 ZINC000638977568 430487130 /nfs/dbraw/zinc/48/71/30/430487130.db2.gz VAVCYHFUPNRKAM-OAQYLSRUSA-N 1 3 324.468 2.894 20 0 DFADHO CN(C)Cc1cccc(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)c1 ZINC000639024535 430495467 /nfs/dbraw/zinc/49/54/67/430495467.db2.gz PVLSGMHXCVRQRR-INIZCTEOSA-N 1 3 323.440 2.526 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N2CCCCC2)[C@]12CCCO2 ZINC000639037232 430499164 /nfs/dbraw/zinc/49/91/64/430499164.db2.gz HAZVEIFVRFFSRX-BSDSXHPESA-N 1 3 310.482 2.567 20 0 DFADHO C[C@H](C(=O)N1CC[C@@H](C[NH3+])c2ccccc21)[C@@H](N)c1ccccc1 ZINC000639069616 430511097 /nfs/dbraw/zinc/51/10/97/430511097.db2.gz YUCLZCSIYGSGGZ-URLQWDBASA-N 1 3 323.440 2.802 20 0 DFADHO CC(C)CN1CCC([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000570154829 430518967 /nfs/dbraw/zinc/51/89/67/430518967.db2.gz FVVRSUNMRFLTDB-SFHVURJKSA-N 1 3 324.896 2.953 20 0 DFADHO C[C@@H](N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000643451864 430600763 /nfs/dbraw/zinc/60/07/63/430600763.db2.gz NIMVKBUIBRPPPF-NEWSRXKRSA-N 1 3 301.478 2.944 20 0 DFADHO Cn1ccnc1[C@@H](C1CC1)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639176481 430555795 /nfs/dbraw/zinc/55/57/95/430555795.db2.gz HVCGXSNCFMCGBT-IAGOWNOFSA-N 1 3 302.466 2.535 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639178947 430558493 /nfs/dbraw/zinc/55/84/93/430558493.db2.gz PVAUKOLACXXNGK-CMKODMSKSA-N 1 3 313.489 2.929 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639178947 430558494 /nfs/dbraw/zinc/55/84/94/430558494.db2.gz PVAUKOLACXXNGK-CMKODMSKSA-N 1 3 313.489 2.929 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H](CCO)CC2)cc1 ZINC000643296989 430576071 /nfs/dbraw/zinc/57/60/71/430576071.db2.gz VUTBTXMHCJDTBM-QGZVFWFLSA-N 1 3 320.477 2.612 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H](CCO)CC2)cc1 ZINC000643296989 430576074 /nfs/dbraw/zinc/57/60/74/430576074.db2.gz VUTBTXMHCJDTBM-QGZVFWFLSA-N 1 3 320.477 2.612 20 0 DFADHO CN(C)CCOc1cccc(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000552070765 430583028 /nfs/dbraw/zinc/58/30/28/430583028.db2.gz CXRHKIMVMABYNK-IPMKNSEASA-N 1 3 317.477 2.912 20 0 DFADHO CN(C)CCOc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000552070765 430583031 /nfs/dbraw/zinc/58/30/31/430583031.db2.gz CXRHKIMVMABYNK-IPMKNSEASA-N 1 3 317.477 2.912 20 0 DFADHO CN(C)CCOc1cccc(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000552070766 430583157 /nfs/dbraw/zinc/58/31/57/430583157.db2.gz CXRHKIMVMABYNK-OTWHNJEPSA-N 1 3 317.477 2.912 20 0 DFADHO CN(C)CCOc1cccc(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000552070766 430583163 /nfs/dbraw/zinc/58/31/63/430583163.db2.gz CXRHKIMVMABYNK-OTWHNJEPSA-N 1 3 317.477 2.912 20 0 DFADHO C[C@H](NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000643454233 430602347 /nfs/dbraw/zinc/60/23/47/430602347.db2.gz OEQNMJLBAWHCNZ-WDSOQIARSA-N 1 3 301.478 2.801 20 0 DFADHO CC[C@@H](C)[C@H](CNC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)OC ZINC000639286857 430598526 /nfs/dbraw/zinc/59/85/26/430598526.db2.gz UZBZSJXYYTZAHX-YSHGAJCASA-N 1 3 304.478 2.983 20 0 DFADHO CC[C@@H](C)[C@H](CNC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)OC ZINC000639286857 430598527 /nfs/dbraw/zinc/59/85/27/430598527.db2.gz UZBZSJXYYTZAHX-YSHGAJCASA-N 1 3 304.478 2.983 20 0 DFADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2COc3ccccc3C2)C1 ZINC000550700404 430545249 /nfs/dbraw/zinc/54/52/49/430545249.db2.gz HVOUHJSGSMMBNQ-SJLPKXTDSA-N 1 3 302.462 2.948 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@H](CN1CCCCC1)c1ccccc1 ZINC000643451857 430600676 /nfs/dbraw/zinc/60/06/76/430600676.db2.gz LJKZNCHVQSNWGC-RBUKOAKNSA-N 1 3 319.493 2.557 20 0 DFADHO OC1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000554724805 430649910 /nfs/dbraw/zinc/64/99/10/430649910.db2.gz TVWNDCBAPTYDBI-SXLOBPIMSA-N 1 3 314.473 2.922 20 0 DFADHO COc1ccc2[nH]cc(CC[NH2+][C@H]3CCNCC[C@H]3C)c2c1 ZINC000643453905 430603132 /nfs/dbraw/zinc/60/31/32/430603132.db2.gz HACJMPCPGGYYFE-DYVFJYSZSA-N 1 3 301.434 2.697 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453263 430603175 /nfs/dbraw/zinc/60/31/75/430603175.db2.gz VAGZKVXZVSEBKO-QWQRMKEZSA-N 1 3 323.431 2.898 20 0 DFADHO c1ccc(CCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643458270 430603858 /nfs/dbraw/zinc/60/38/58/430603858.db2.gz DSZBKDRRZAWDAH-GUDVDZBRSA-N 1 3 302.462 2.756 20 0 DFADHO FC(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000643460013 430604013 /nfs/dbraw/zinc/60/40/13/430604013.db2.gz HMPBMXUFKVYJOV-OWCLPIDISA-N 1 3 315.452 2.616 20 0 DFADHO CCC[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)OC ZINC000639311338 430605329 /nfs/dbraw/zinc/60/53/29/430605329.db2.gz LXRLIICYWYMMHZ-SFHVURJKSA-N 1 3 305.466 2.698 20 0 DFADHO CC[C@@H](C)[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)OC ZINC000639310780 430605969 /nfs/dbraw/zinc/60/59/69/430605969.db2.gz HFLTYZLCXABYMS-VQIMIIECSA-N 1 3 319.493 2.944 20 0 DFADHO COc1ccc(OC)c(CCC[NH2+][C@@H](C)[C@H]2CCCNC2)c1 ZINC000643476597 430607153 /nfs/dbraw/zinc/60/71/53/430607153.db2.gz VQULVKRHVGASPL-HOCLYGCPSA-N 1 3 306.450 2.614 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1ccnn1C)C(C)C ZINC000643484330 430607453 /nfs/dbraw/zinc/60/74/53/430607453.db2.gz WFMOSJCWKSOADM-GUYCJALGSA-N 1 3 315.465 2.673 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000643493629 430608500 /nfs/dbraw/zinc/60/85/00/430608500.db2.gz ZLBIEZSHJSTURP-TWMKSMIVSA-N 1 3 320.481 2.541 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCNCC2)c(C)c1OC ZINC000643522531 430612599 /nfs/dbraw/zinc/61/25/99/430612599.db2.gz ONTPRGSDDJNSKV-BBRMVZONSA-N 1 3 306.450 2.675 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CCC[NH2+]CC2)c(C)c1OC ZINC000643522531 430612601 /nfs/dbraw/zinc/61/26/01/430612601.db2.gz ONTPRGSDDJNSKV-BBRMVZONSA-N 1 3 306.450 2.675 20 0 DFADHO C[C@@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCCNC1 ZINC000571669467 430645107 /nfs/dbraw/zinc/64/51/07/430645107.db2.gz NMKZPKHXZJQDBF-OCCSQVGLSA-N 1 3 324.852 2.631 20 0 DFADHO C[C@@H](NCCc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000571669467 430645110 /nfs/dbraw/zinc/64/51/10/430645110.db2.gz NMKZPKHXZJQDBF-OCCSQVGLSA-N 1 3 324.852 2.631 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)N(C)C1CC1 ZINC000274928848 278284248 /nfs/dbraw/zinc/28/42/48/278284248.db2.gz QNICHMBJEQLARC-LNLFQRSKSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H](O)c1ccccc1 ZINC000297369849 278336779 /nfs/dbraw/zinc/33/67/79/278336779.db2.gz HNUYKUPLDHCYGL-BEFAXECRSA-N 1 3 311.429 2.762 20 0 DFADHO C[C@@H]([NH2+]CC1(C)OCCCO1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000277335391 278340110 /nfs/dbraw/zinc/34/01/10/278340110.db2.gz UPKGTVSJFMWRPJ-SJLPKXTDSA-N 1 3 318.461 2.640 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000359587544 278393104 /nfs/dbraw/zinc/39/31/04/278393104.db2.gz FCILMUGATARLKM-IAGOWNOFSA-N 1 3 316.489 2.569 20 0 DFADHO C[C@@H](O)C[N@H+](C)C1CCN(C[C@@H]2CCc3ccccc3C2)CC1 ZINC000359587544 278393105 /nfs/dbraw/zinc/39/31/05/278393105.db2.gz FCILMUGATARLKM-IAGOWNOFSA-N 1 3 316.489 2.569 20 0 DFADHO C[C@@H](O)C[N@@H+](C)C1CCN(C[C@@H]2CCc3ccccc3C2)CC1 ZINC000359587544 278393106 /nfs/dbraw/zinc/39/31/06/278393106.db2.gz FCILMUGATARLKM-IAGOWNOFSA-N 1 3 316.489 2.569 20 0 DFADHO COC[C@@H](CC1CCOCC1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000657988533 430782051 /nfs/dbraw/zinc/78/20/51/430782051.db2.gz AXJVTMUVATWTHO-QGZVFWFLSA-N 1 3 312.498 2.530 20 0 DFADHO COC[C@@H](CC1CCOCC1)NCC(C)(C)C[NH+]1CCCC1 ZINC000657988533 430782056 /nfs/dbraw/zinc/78/20/56/430782056.db2.gz AXJVTMUVATWTHO-QGZVFWFLSA-N 1 3 312.498 2.530 20 0 DFADHO COc1ccc(CNCC2CC[NH+](CC3CC3)CC2)cc1O ZINC000657812534 430743891 /nfs/dbraw/zinc/74/38/91/430743891.db2.gz RQJXULMKYSHHEI-UHFFFAOYSA-N 1 3 304.434 2.612 20 0 DFADHO Cn1c2ccccc2nc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657813261 430744568 /nfs/dbraw/zinc/74/45/68/430744568.db2.gz MGUQNEMBEKQAEE-UHFFFAOYSA-N 1 3 312.461 2.785 20 0 DFADHO O=C(CCNC1CC[NH+](CC2CC2)CC1)Nc1ccccc1F ZINC000644525598 430744622 /nfs/dbraw/zinc/74/46/22/430744622.db2.gz FIXYMTDKRDSXRB-UHFFFAOYSA-N 1 3 319.424 2.618 20 0 DFADHO O=C(CC[NH2+]C1CCN(CC2CC2)CC1)Nc1ccccc1F ZINC000644525598 430744625 /nfs/dbraw/zinc/74/46/25/430744625.db2.gz FIXYMTDKRDSXRB-UHFFFAOYSA-N 1 3 319.424 2.618 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000246118484 278470634 /nfs/dbraw/zinc/47/06/34/278470634.db2.gz UTYVVQKTHSEEFR-KBAYOESNSA-N 1 3 317.477 2.574 20 0 DFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc2cnccc2o1 ZINC000657833522 430748337 /nfs/dbraw/zinc/74/83/37/430748337.db2.gz UXOHYOUBLQUJPY-AWEZNQCLSA-N 1 3 316.449 2.504 20 0 DFADHO CC[C@@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000644548812 430751355 /nfs/dbraw/zinc/75/13/55/430751355.db2.gz FWGOAUONTOQUOH-MRXNPFEDSA-N 1 3 310.869 2.913 20 0 DFADHO CC[C@@H](Cc1ccc(Cl)cc1)NC[C@H](O)C[NH+]1CCCC1 ZINC000657847383 430752669 /nfs/dbraw/zinc/75/26/69/430752669.db2.gz UYFPCBCLECTXCU-IRXDYDNUSA-N 1 3 310.869 2.707 20 0 DFADHO CCCC[NH+]1CCC(N[C@@H](COC)CC2CCOCC2)CC1 ZINC000657860194 430754379 /nfs/dbraw/zinc/75/43/79/430754379.db2.gz XQBVNRGIPBOULW-GOSISDBHSA-N 1 3 312.498 2.672 20 0 DFADHO Cc1ccc(OC[C@@H](O)CN[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000644569922 430757336 /nfs/dbraw/zinc/75/73/36/430757336.db2.gz OSBKQTDUIPQDAT-FUHWJXTLSA-N 1 3 322.493 2.691 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000644583797 430760083 /nfs/dbraw/zinc/76/00/83/430760083.db2.gz KMSZJLSKWOOXOZ-HUUCEWRRSA-N 1 3 321.440 2.925 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000644583797 430760089 /nfs/dbraw/zinc/76/00/89/430760089.db2.gz KMSZJLSKWOOXOZ-HUUCEWRRSA-N 1 3 321.440 2.925 20 0 DFADHO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000657891486 430761402 /nfs/dbraw/zinc/76/14/02/430761402.db2.gz ZVFILNYNPZCNGU-MRXNPFEDSA-N 1 3 310.869 2.707 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]C2CC(CF)(CF)C2)C[C@H](C)O1 ZINC000657919530 430766906 /nfs/dbraw/zinc/76/69/06/430766906.db2.gz NAJZIYUVDHITQN-KBPBESRZSA-N 1 3 304.425 2.553 20 0 DFADHO COC[C@H](CC1CCOCC1)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000657972400 430779465 /nfs/dbraw/zinc/77/94/65/430779465.db2.gz GEXWMHGJXIVROV-AEFFLSMTSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@H](CC1CCOCC1)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000657972400 430779473 /nfs/dbraw/zinc/77/94/73/430779473.db2.gz GEXWMHGJXIVROV-AEFFLSMTSA-N 1 3 312.498 2.672 20 0 DFADHO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658140352 430822396 /nfs/dbraw/zinc/82/23/96/430822396.db2.gz PZZNQKRZHZBRNE-ZWKOTPCHSA-N 1 3 302.462 2.922 20 0 DFADHO CC1(C)CC[C@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000658136632 430824199 /nfs/dbraw/zinc/82/41/99/430824199.db2.gz HNZGVVQAMZWOAW-ZWKOTPCHSA-N 1 3 302.462 2.922 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CCCc3ccccc3C2)CC1(C)C ZINC000648567339 430824752 /nfs/dbraw/zinc/82/47/52/430824752.db2.gz NTLZDPFHTFVVJZ-IBGZPJMESA-N 1 3 315.505 2.550 20 0 DFADHO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000658163291 430831508 /nfs/dbraw/zinc/83/15/08/430831508.db2.gz NYKPZGZICWBLIM-QGPMSJSTSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@]1(C)CCCO1 ZINC000658166808 430832726 /nfs/dbraw/zinc/83/27/26/430832726.db2.gz PGSRKMUEHLYTCE-LPHOPBHVSA-N 1 3 317.477 2.841 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCOC1 ZINC000658167296 430833721 /nfs/dbraw/zinc/83/37/21/430833721.db2.gz RKIBHPIWQWNYJW-VQIMIIECSA-N 1 3 317.477 2.698 20 0 DFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CCCSCC1 ZINC000658014487 430788366 /nfs/dbraw/zinc/78/83/66/430788366.db2.gz VOGWYTYBUYAYBV-MRXNPFEDSA-N 1 3 323.506 2.787 20 0 DFADHO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(OCCN(C)C)cc1 ZINC000658057933 430796641 /nfs/dbraw/zinc/79/66/41/430796641.db2.gz KDRGQWZZYBEFHA-GDBMZVCRSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cncs1 ZINC000658068271 430798395 /nfs/dbraw/zinc/79/83/95/430798395.db2.gz VMHYRWIYKSGDJY-CYBMUJFWSA-N 1 3 309.479 2.685 20 0 DFADHO COC[C@H](CCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)OC ZINC000658083771 430803573 /nfs/dbraw/zinc/80/35/73/430803573.db2.gz BZUKFVDUWMKQCO-SZMVWBNQSA-N 1 3 312.498 2.671 20 0 DFADHO COC[C@H](CC[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1)OC ZINC000658083771 430803578 /nfs/dbraw/zinc/80/35/78/430803578.db2.gz BZUKFVDUWMKQCO-SZMVWBNQSA-N 1 3 312.498 2.671 20 0 DFADHO CC[C@@H]1C[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)CCO1 ZINC000648494062 430806874 /nfs/dbraw/zinc/80/68/74/430806874.db2.gz PEJMXLCGXCBXFH-SJLPKXTDSA-N 1 3 303.450 2.845 20 0 DFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1noc2ccccc12 ZINC000665232535 430864097 /nfs/dbraw/zinc/86/40/97/430864097.db2.gz OOXTUQISYFHUFN-KDOFPFPSSA-N 1 3 309.413 2.918 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252566 430870653 /nfs/dbraw/zinc/87/06/53/430870653.db2.gz SRZWKXMGKUEYLN-CDHQVMDDSA-N 1 3 324.472 2.645 20 0 DFADHO C[C@H](NCC1(Cc2ccc(Br)cc2)CC1)C1C[NH2+]C1 ZINC000665265249 430875132 /nfs/dbraw/zinc/87/51/32/430875132.db2.gz SWLXLNFCPAIYJB-LBPRGKRZSA-N 1 3 323.278 2.969 20 0 DFADHO C[C@H]([NH2+]CC1(Cc2ccc(Br)cc2)CC1)C1CNC1 ZINC000665265249 430875139 /nfs/dbraw/zinc/87/51/39/430875139.db2.gz SWLXLNFCPAIYJB-LBPRGKRZSA-N 1 3 323.278 2.969 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294426 430889618 /nfs/dbraw/zinc/88/96/18/430889618.db2.gz OQEIVUMCMKHTIG-GBESFXJTSA-N 1 3 318.461 2.599 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658349919 430883804 /nfs/dbraw/zinc/88/38/04/430883804.db2.gz VPLRAMHVBLLZNM-WDSOQIARSA-N 1 3 301.478 2.581 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H]2CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658349919 430883806 /nfs/dbraw/zinc/88/38/06/430883806.db2.gz VPLRAMHVBLLZNM-WDSOQIARSA-N 1 3 301.478 2.581 20 0 DFADHO OC(CN1CC[C@@H](C2CCC2)C1)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665288046 430887353 /nfs/dbraw/zinc/88/73/53/430887353.db2.gz BGMNQRDPDOMEGI-QZTJIDSGSA-N 1 3 306.494 2.591 20 0 DFADHO OC(CN1CC[C@@H](C2CCC2)C1)C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000665288046 430887357 /nfs/dbraw/zinc/88/73/57/430887357.db2.gz BGMNQRDPDOMEGI-QZTJIDSGSA-N 1 3 306.494 2.591 20 0 DFADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(F)c1 ZINC000665172701 430844053 /nfs/dbraw/zinc/84/40/53/430844053.db2.gz LQZMDSVWKMNAMX-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(F)c1 ZINC000665172701 430844056 /nfs/dbraw/zinc/84/40/56/430844056.db2.gz LQZMDSVWKMNAMX-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO c1cn2c(n1)[C@@H](N[C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCc1ccccc1-2 ZINC000665299422 430890868 /nfs/dbraw/zinc/89/08/68/430890868.db2.gz MSFNHGPDZZJGTE-FJIDUMEYSA-N 1 3 322.456 2.837 20 0 DFADHO c1csc(CCCNCc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000645076644 430897297 /nfs/dbraw/zinc/89/72/97/430897297.db2.gz GDGSJEXDJFSJHX-UHFFFAOYSA-N 1 3 305.447 2.926 20 0 DFADHO CC[N@H+](CCCNC1CCN(C(C)=O)CC1)C1CCCCC1 ZINC000651910298 430912241 /nfs/dbraw/zinc/91/22/41/430912241.db2.gz ODSJMLWHAWAKIH-UHFFFAOYSA-N 1 3 309.498 2.632 20 0 DFADHO CC[N@@H+](CCCNC1CCN(C(C)=O)CC1)C1CCCCC1 ZINC000651910298 430912247 /nfs/dbraw/zinc/91/22/47/430912247.db2.gz ODSJMLWHAWAKIH-UHFFFAOYSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC[C@]3(O)CCCOC3)CC2)C1 ZINC000652045553 430944962 /nfs/dbraw/zinc/94/49/62/430944962.db2.gz BDBLQBIUEYGERS-BHIYHBOVSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@]3(O)CCCOC3)CC2)C1 ZINC000652045553 430944964 /nfs/dbraw/zinc/94/49/64/430944964.db2.gz BDBLQBIUEYGERS-BHIYHBOVSA-N 1 3 324.509 2.551 20 0 DFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCCC1 ZINC000655348567 430971084 /nfs/dbraw/zinc/97/10/84/430971084.db2.gz BZJOXLHHELASOX-KZNAEPCWSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCCC1 ZINC000655348567 430971090 /nfs/dbraw/zinc/97/10/90/430971090.db2.gz BZJOXLHHELASOX-KZNAEPCWSA-N 1 3 321.509 2.630 20 0 DFADHO O[C@@H]1CCN(C2CC[NH+](CCc3ccc4ccccc4c3)CC2)C1 ZINC000662157821 430983307 /nfs/dbraw/zinc/98/33/07/430983307.db2.gz QQZNIOIVBRDWDX-OAQYLSRUSA-N 1 3 324.468 2.913 20 0 DFADHO Cc1cc(C)c(C[NH+]2CCC(N3CC[C@H](O)C3)CC2)c(C)c1 ZINC000662157256 430983400 /nfs/dbraw/zinc/98/34/00/430983400.db2.gz OXZHJZFJDFKXDC-SFHVURJKSA-N 1 3 302.462 2.643 20 0 DFADHO CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000645472848 431011915 /nfs/dbraw/zinc/01/19/15/431011915.db2.gz MBAFQJOFUPVCHZ-ZBFHGGJFSA-N 1 3 305.466 2.559 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000645467100 431009951 /nfs/dbraw/zinc/00/99/51/431009951.db2.gz VWQFNSQSIZZSBO-QGZVFWFLSA-N 1 3 303.450 2.984 20 0 DFADHO CCCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(C)C1 ZINC000648998208 430963188 /nfs/dbraw/zinc/96/31/88/430963188.db2.gz GVXMHIILXPPHDB-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO CCCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(C)C1 ZINC000648998208 430963192 /nfs/dbraw/zinc/96/31/92/430963192.db2.gz GVXMHIILXPPHDB-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO CC[C@@H](NC1CC[NH+](C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652135321 430969429 /nfs/dbraw/zinc/96/94/29/430969429.db2.gz NITAOWNURKGARG-OAHLLOKOSA-N 1 3 322.449 2.847 20 0 DFADHO [NH3+]CCC[C@@H](NC(=O)C[C@H]1NCc2ccccc21)c1ccccc1 ZINC000659322999 431025898 /nfs/dbraw/zinc/02/58/98/431025898.db2.gz UKEYYVXEHWVEPD-RTBURBONSA-N 1 3 323.440 2.817 20 0 DFADHO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)c1 ZINC000662278255 431030624 /nfs/dbraw/zinc/03/06/24/431030624.db2.gz DBBGCMSOVIKQJM-FUHWJXTLSA-N 1 3 300.446 2.961 20 0 DFADHO Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)c1 ZINC000662278255 431030629 /nfs/dbraw/zinc/03/06/29/431030629.db2.gz DBBGCMSOVIKQJM-FUHWJXTLSA-N 1 3 300.446 2.961 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCOc2ccccc2F)C1 ZINC000652360378 431032205 /nfs/dbraw/zinc/03/22/05/431032205.db2.gz GHQGYXWWULHCAT-UWWQBHOKSA-N 1 3 322.424 2.565 20 0 DFADHO Cc1cccc2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)cn21 ZINC000662292700 431034372 /nfs/dbraw/zinc/03/43/72/431034372.db2.gz HTEIRLVSKWDFNG-QGZVFWFLSA-N 1 3 312.461 2.854 20 0 DFADHO CC(C)C[C@@H](C)N(C)C(=O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290999 431034710 /nfs/dbraw/zinc/03/47/10/431034710.db2.gz AZKZOQAJOYNIOB-SJLPKXTDSA-N 1 3 323.525 2.591 20 0 DFADHO Fc1ccccc1OCCN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290255 431034779 /nfs/dbraw/zinc/03/47/79/431034779.db2.gz OCEIPGHMXNHPFY-INIZCTEOSA-N 1 3 306.425 2.916 20 0 DFADHO CC(=O)Nc1cccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662294971 431035053 /nfs/dbraw/zinc/03/50/53/431035053.db2.gz XQNSCOVNTAEAPP-SFHVURJKSA-N 1 3 315.461 2.857 20 0 DFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](c2ccccc2)C1 ZINC000662285042 431035642 /nfs/dbraw/zinc/03/56/42/431035642.db2.gz VENZOXFJGCEQJK-HKBOAZHASA-N 1 3 324.468 2.797 20 0 DFADHO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)CNCC3)cn1 ZINC000662311554 431041453 /nfs/dbraw/zinc/04/14/53/431041453.db2.gz UKHNTQREGGDIQO-QUCCMNQESA-N 1 3 324.472 2.567 20 0 DFADHO Fc1ccccc1CN(CC1CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662310255 431041833 /nfs/dbraw/zinc/04/18/33/431041833.db2.gz IYJMJPMSCOUUEV-MRXNPFEDSA-N 1 3 304.409 2.559 20 0 DFADHO C[C@@H]1CCCN(CC(=O)NCC2CCCCC2)[C@@H]1CCC[NH3+] ZINC000662313439 431043566 /nfs/dbraw/zinc/04/35/66/431043566.db2.gz OFVJMCYEVSNLEL-NVXWUHKLSA-N 1 3 309.498 2.522 20 0 DFADHO C[C@@H]1CCCN(CC(=O)N(C)[C@H]2CCCC[C@H]2C)[C@@H]1CCC[NH3+] ZINC000662313587 431043978 /nfs/dbraw/zinc/04/39/78/431043978.db2.gz IZZSBBIRSBHGKF-ZJPYXAASSA-N 1 3 323.525 2.863 20 0 DFADHO C[C@H](NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+])c1cccs1 ZINC000662315854 431044515 /nfs/dbraw/zinc/04/45/15/431044515.db2.gz UFKUETCNSFUISW-QLFBSQMISA-N 1 3 323.506 2.765 20 0 DFADHO CN(C)C[C@@H](NC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000662356153 431057985 /nfs/dbraw/zinc/05/79/85/431057985.db2.gz NCHXPQHCRGYXOS-RTBURBONSA-N 1 3 323.440 2.640 20 0 DFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649323659 431067644 /nfs/dbraw/zinc/06/76/44/431067644.db2.gz MUVAPSMATBICOO-OAHLLOKOSA-N 1 3 317.477 2.846 20 0 DFADHO COc1ccc(-c2cc(CN3CCC([C@H](C)[NH3+])CC3)on2)cc1 ZINC000662245569 431014056 /nfs/dbraw/zinc/01/40/56/431014056.db2.gz KWLFHVNHJORTSS-ZDUSSCGKSA-N 1 3 315.417 2.909 20 0 DFADHO CN(Cc1cc(Cl)cc(Cl)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252173 431015547 /nfs/dbraw/zinc/01/55/47/431015547.db2.gz LOGJARHYMCFYOU-CQSZACIVSA-N 1 3 315.244 2.946 20 0 DFADHO CCC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1CCc2ccccc21 ZINC000662252261 431016527 /nfs/dbraw/zinc/01/65/27/431016527.db2.gz NFVSEMOGRPQWBL-FUHWJXTLSA-N 1 3 300.446 2.907 20 0 DFADHO CCC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1CCc2ccccc21 ZINC000662252261 431016529 /nfs/dbraw/zinc/01/65/29/431016529.db2.gz NFVSEMOGRPQWBL-FUHWJXTLSA-N 1 3 300.446 2.907 20 0 DFADHO Clc1ccccc1[C@@H]1CCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250277 431017245 /nfs/dbraw/zinc/01/72/45/431017245.db2.gz CZCORYSBBLBCOD-CJNGLKHVSA-N 1 3 306.837 2.998 20 0 DFADHO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662258324 431017644 /nfs/dbraw/zinc/01/76/44/431017644.db2.gz VSPYBNCKZHGAOQ-ZWKOTPCHSA-N 1 3 302.462 2.769 20 0 DFADHO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662258324 431017647 /nfs/dbraw/zinc/01/76/47/431017647.db2.gz VSPYBNCKZHGAOQ-ZWKOTPCHSA-N 1 3 302.462 2.769 20 0 DFADHO Clc1ccc([C@H]2CC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256610 431018237 /nfs/dbraw/zinc/01/82/37/431018237.db2.gz WZPWUSSWDHGGOR-HOCLYGCPSA-N 1 3 306.837 2.650 20 0 DFADHO Clc1ccc([C@H]2CC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256610 431018243 /nfs/dbraw/zinc/01/82/43/431018243.db2.gz WZPWUSSWDHGGOR-HOCLYGCPSA-N 1 3 306.837 2.650 20 0 DFADHO C[C@@H]([NH2+]CCC1(CO)CCC1)c1cccc(OCCN(C)C)c1 ZINC000652310447 431018328 /nfs/dbraw/zinc/01/83/28/431018328.db2.gz HBWTWJBUVATOJB-MRXNPFEDSA-N 1 3 320.477 2.830 20 0 DFADHO Fc1ccc([C@@H]([NH2+]C[C@@H]2CCC3(CNC3)O2)C2CCC2)cc1 ZINC000662259494 431018368 /nfs/dbraw/zinc/01/83/68/431018368.db2.gz YFZBWILPGNUAGH-IRXDYDNUSA-N 1 3 304.409 2.778 20 0 DFADHO Fc1ccc([C@@H]2CCCCN2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257081 431018958 /nfs/dbraw/zinc/01/89/58/431018958.db2.gz MRBNDYYPSLQNNR-IRXDYDNUSA-N 1 3 304.409 2.874 20 0 DFADHO [NH3+]CCCN(Cc1ccccc1)C(=O)C[C@H]1NCc2ccccc21 ZINC000662558080 431116458 /nfs/dbraw/zinc/11/64/58/431116458.db2.gz AFEGNUCPZPNEHM-LJQANCHMSA-N 1 3 323.440 2.599 20 0 DFADHO CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc3c2CNC3)c1 ZINC000662406435 431074269 /nfs/dbraw/zinc/07/42/69/431074269.db2.gz ZAPFZQRAMQBPCW-UHFFFAOYSA-N 1 3 323.440 2.672 20 0 DFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cccc3c2CNC3)c1 ZINC000662406435 431074273 /nfs/dbraw/zinc/07/42/73/431074273.db2.gz ZAPFZQRAMQBPCW-UHFFFAOYSA-N 1 3 323.440 2.672 20 0 DFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000362627141 278972548 /nfs/dbraw/zinc/97/25/48/278972548.db2.gz MLNDQCQBRCVMDZ-DLBZAZTESA-N 1 3 311.514 2.589 20 0 DFADHO Cc1csc(N2CCN(CCCC3CC[NH2+]CC3)C[C@H]2C)n1 ZINC000649412591 431093106 /nfs/dbraw/zinc/09/31/06/431093106.db2.gz VAIPGFVXPJDJRP-OAHLLOKOSA-N 1 3 322.522 2.742 20 0 DFADHO CCN(C(=O)C[NH2+]C(C)C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000662503820 431098629 /nfs/dbraw/zinc/09/86/29/431098629.db2.gz XWWBWKUZLATXOL-SJLPKXTDSA-N 1 3 317.477 2.668 20 0 DFADHO c1cn2c(n1)[C@@H](NCC1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000655724300 431100491 /nfs/dbraw/zinc/10/04/91/431100491.db2.gz UASCFBDSEUXBNO-KRWDZBQOSA-N 1 3 311.433 2.619 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NCCC[N@@H+](C)CC(C)C)c1 ZINC000652612451 431100720 /nfs/dbraw/zinc/10/07/20/431100720.db2.gz SATMALMIZIMJHE-UHFFFAOYSA-N 1 3 306.454 2.553 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NCCC[N@H+](C)CC(C)C)c1 ZINC000652612451 431100723 /nfs/dbraw/zinc/10/07/23/431100723.db2.gz SATMALMIZIMJHE-UHFFFAOYSA-N 1 3 306.454 2.553 20 0 DFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC000106455139 279137155 /nfs/dbraw/zinc/13/71/55/279137155.db2.gz GWDCSJBJQZQLBI-SFHVURJKSA-N 1 3 319.493 2.731 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000133992425 279356427 /nfs/dbraw/zinc/35/64/27/279356427.db2.gz RQOJAEWRLQIWLE-RTBURBONSA-N 1 3 307.526 2.986 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000261584739 279377207 /nfs/dbraw/zinc/37/72/07/279377207.db2.gz SOOWNLMSKUIZPI-YWPYICTPSA-N 1 3 311.267 2.968 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000261584739 279377210 /nfs/dbraw/zinc/37/72/10/279377210.db2.gz SOOWNLMSKUIZPI-YWPYICTPSA-N 1 3 311.267 2.968 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)c1cccc2c1CCNC2 ZINC000662692475 431166116 /nfs/dbraw/zinc/16/61/16/431166116.db2.gz LFRLZVYGGTXWBB-UHFFFAOYSA-N 1 3 317.477 2.574 20 0 DFADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)C[C@H]3CCCN3C)C2)s1 ZINC000649603431 431190651 /nfs/dbraw/zinc/19/06/51/431190651.db2.gz MFQPPZYMSSJMJZ-IAGOWNOFSA-N 1 3 321.534 2.904 20 0 DFADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)C[C@H]3CCCN3C)C2)s1 ZINC000649603431 431190658 /nfs/dbraw/zinc/19/06/58/431190658.db2.gz MFQPPZYMSSJMJZ-IAGOWNOFSA-N 1 3 321.534 2.904 20 0 DFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662788612 431194345 /nfs/dbraw/zinc/19/43/45/431194345.db2.gz PDBBXZINXNPYAW-OAGGEKHMSA-N 1 3 319.493 2.512 20 0 DFADHO C[C@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(=O)[nH]n1 ZINC000365118663 279453682 /nfs/dbraw/zinc/45/36/82/279453682.db2.gz WGKNGEHBTFOTBS-FHERZECASA-N 1 3 318.465 2.876 20 0 DFADHO O=C(C[C@@H]1NCc2ccccc21)NCCC[NH+]1CCCCCC1 ZINC000662664823 431154173 /nfs/dbraw/zinc/15/41/73/431154173.db2.gz HUGHJFULLWTLSZ-SFHVURJKSA-N 1 3 315.461 2.603 20 0 DFADHO CC(C)[NH+](CCCNC(=O)c1ccc2c(c1)CNC2)C(C)C ZINC000646137190 431204836 /nfs/dbraw/zinc/20/48/36/431204836.db2.gz ZTVMGZFLPLGUCR-UHFFFAOYSA-N 1 3 303.450 2.529 20 0 DFADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655907894 431214043 /nfs/dbraw/zinc/21/40/43/431214043.db2.gz PIEQXQZOWFSIAT-SJORKVTESA-N 1 3 316.449 2.544 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000659980828 431220815 /nfs/dbraw/zinc/22/08/15/431220815.db2.gz ZQYAZEDRTCLRCY-QRQLOZEOSA-N 1 3 304.478 2.641 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000659980828 431220822 /nfs/dbraw/zinc/22/08/22/431220822.db2.gz ZQYAZEDRTCLRCY-QRQLOZEOSA-N 1 3 304.478 2.641 20 0 DFADHO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000666418927 431221680 /nfs/dbraw/zinc/22/16/80/431221680.db2.gz ITBJROQMDFEWQC-HNAYVOBHSA-N 1 3 320.477 2.920 20 0 DFADHO CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000646193830 431224691 /nfs/dbraw/zinc/22/46/91/431224691.db2.gz BAWBGPHSAAZCLB-SJORKVTESA-N 1 3 321.509 2.761 20 0 DFADHO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000666418928 431225305 /nfs/dbraw/zinc/22/53/05/431225305.db2.gz ITBJROQMDFEWQC-KXBFYZLASA-N 1 3 320.477 2.920 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCCc2c(F)cccc2F)CC1 ZINC000655941015 431226776 /nfs/dbraw/zinc/22/67/76/431226776.db2.gz KIGIGCSUOCGEHK-MSOLQXFVSA-N 1 3 324.415 2.726 20 0 DFADHO CN1CCC(N2CC[C@H]([N@H+](C)C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CC1 ZINC000660140651 431287374 /nfs/dbraw/zinc/28/73/74/431287374.db2.gz MTJYXBDHXJSTMN-VXNCWWDNSA-N 1 3 305.510 2.523 20 0 DFADHO CN1CCC(N2CC[C@H]([N@@H+](C)C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CC1 ZINC000660140651 431287378 /nfs/dbraw/zinc/28/73/78/431287378.db2.gz MTJYXBDHXJSTMN-VXNCWWDNSA-N 1 3 305.510 2.523 20 0 DFADHO Cc1ccccc1C1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCOCC1 ZINC000656197404 431305788 /nfs/dbraw/zinc/30/57/88/431305788.db2.gz HDHOKNHYWIJRQP-SJORKVTESA-N 1 3 302.462 2.903 20 0 DFADHO C[NH2+]Cc1cccc(NCc2ccc(OCCN(C)C)cc2)c1 ZINC000666811773 431367527 /nfs/dbraw/zinc/36/75/27/431367527.db2.gz LAJVJXMFAXTVDB-UHFFFAOYSA-N 1 3 313.445 2.959 20 0 DFADHO C[C@@H]1C[C@@H](CN2CCN(c3ccccc3F)C[C@@H]2C)CC[NH2+]1 ZINC000666699159 431329790 /nfs/dbraw/zinc/32/97/90/431329790.db2.gz XJFYLDRQGAYARJ-PMPSAXMXSA-N 1 3 305.441 2.724 20 0 DFADHO CN(C)CCN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)C1CC1 ZINC000646542795 431337196 /nfs/dbraw/zinc/33/71/96/431337196.db2.gz WNEHGFBWHQTHSM-INIZCTEOSA-N 1 3 309.498 2.617 20 0 DFADHO COc1cc2nccc(N3CCCC[C@H]3CC[NH3+])c2cc1OC ZINC000663239584 431337647 /nfs/dbraw/zinc/33/76/47/431337647.db2.gz MVPUOOUVEWNRBW-ZDUSSCGKSA-N 1 3 315.417 2.960 20 0 DFADHO CCOc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc(Cl)c1[O-] ZINC000656269095 431344759 /nfs/dbraw/zinc/34/47/59/431344759.db2.gz LBMBLBFAZIGXJU-BJHJDKERSA-N 1 3 312.841 2.874 20 0 DFADHO CC(C)(O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000663306972 431356262 /nfs/dbraw/zinc/35/62/62/431356262.db2.gz QAOIOAKMZWUCFQ-QGZVFWFLSA-N 1 3 302.462 2.649 20 0 DFADHO CC(C)c1cccc(C[NH2+]CCCN2CCCN(C)CC2)c1 ZINC000663316000 431361734 /nfs/dbraw/zinc/36/17/34/431361734.db2.gz RDPWEENAZBYXAD-UHFFFAOYSA-N 1 3 303.494 2.927 20 0 DFADHO c1cn2c(CN[C@H]3CC34CC[NH2+]CC4)c(C3CC3)nc2s1 ZINC000666951985 431422812 /nfs/dbraw/zinc/42/28/12/431422812.db2.gz AYXIMJOJXDZUFW-ZDUSSCGKSA-N 1 3 302.447 2.505 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CC(C)(C)OC2(C)C)C[C@H](C)O1 ZINC000246969172 288161305 /nfs/dbraw/zinc/16/13/05/288161305.db2.gz JIIXRNJXOTYWIX-XHSDSOJGSA-N 1 3 312.498 2.812 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CC(C)(C)OC2(C)C)C[C@@H](C)O1 ZINC000246969155 288161342 /nfs/dbraw/zinc/16/13/42/288161342.db2.gz JIIXRNJXOTYWIX-OAGGEKHMSA-N 1 3 312.498 2.812 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC000663359909 431385004 /nfs/dbraw/zinc/38/50/04/431385004.db2.gz KUMZJHYEXHXWKV-KRWDZBQOSA-N 1 3 317.477 2.750 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC000663359909 431385009 /nfs/dbraw/zinc/38/50/09/431385009.db2.gz KUMZJHYEXHXWKV-KRWDZBQOSA-N 1 3 317.477 2.750 20 0 DFADHO CC(C)N1CCC[C@@H](C[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663359909 431385014 /nfs/dbraw/zinc/38/50/14/431385014.db2.gz KUMZJHYEXHXWKV-KRWDZBQOSA-N 1 3 317.477 2.750 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995341 431437762 /nfs/dbraw/zinc/43/77/62/431437762.db2.gz KJQQWQYSQHMKQZ-CZUORRHYSA-N 1 3 319.424 2.807 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995341 431437767 /nfs/dbraw/zinc/43/77/67/431437767.db2.gz KJQQWQYSQHMKQZ-CZUORRHYSA-N 1 3 319.424 2.807 20 0 DFADHO COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CCNC3(CCC3)C1)C2 ZINC000666993755 431438526 /nfs/dbraw/zinc/43/85/26/431438526.db2.gz HGPQFLGTPAJTCJ-HZPDHXFCSA-N 1 3 300.446 2.817 20 0 DFADHO COc1cccc2c1CC[C@@H](N[C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC000666993755 431438529 /nfs/dbraw/zinc/43/85/29/431438529.db2.gz HGPQFLGTPAJTCJ-HZPDHXFCSA-N 1 3 300.446 2.817 20 0 DFADHO CNC[C@H](C)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000663509345 431450143 /nfs/dbraw/zinc/45/01/43/431450143.db2.gz JFJYQZFETDCEMG-LBPRGKRZSA-N 1 3 313.848 2.641 20 0 DFADHO CNC[C@@H](C)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000663509342 431451291 /nfs/dbraw/zinc/45/12/91/431451291.db2.gz JFJYQZFETDCEMG-GFCCVEGCSA-N 1 3 313.848 2.641 20 0 DFADHO CN(C)Cc1ccc(-c2noc(C3CCC([NH3+])CC3)n2)cc1 ZINC000647121344 431466214 /nfs/dbraw/zinc/46/62/14/431466214.db2.gz LOIRPWZUPDTFQN-UHFFFAOYSA-N 1 3 300.406 2.783 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@H]3CCC[C@@H]3C[NH3+])n2)cc1 ZINC000647121380 431466916 /nfs/dbraw/zinc/46/69/16/431466916.db2.gz WTHMLROTMGBIIL-CABCVRRESA-N 1 3 300.406 2.641 20 0 DFADHO COc1cnccc1[C@H](C)NC1CCN(c2cc[nH+]cc2)CC1 ZINC000656570379 431433211 /nfs/dbraw/zinc/43/32/11/431433211.db2.gz LSFPSOOMJZXWSZ-AWEZNQCLSA-N 1 3 312.417 2.805 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCNC3(CCC3)C1)CC2 ZINC000666995333 431437161 /nfs/dbraw/zinc/43/71/61/431437161.db2.gz KHVIHVIVRVXKEP-IRXDYDNUSA-N 1 3 300.446 2.817 20 0 DFADHO COc1ccc2c(c1)C[C@@H](N[C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000666995333 431437167 /nfs/dbraw/zinc/43/71/67/431437167.db2.gz KHVIHVIVRVXKEP-IRXDYDNUSA-N 1 3 300.446 2.817 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(c3ccnc4ccccc43)C2)C1 ZINC000650298801 431517410 /nfs/dbraw/zinc/51/74/10/431517410.db2.gz ZQDRPOVFGIFQIJ-KHYOSLBOSA-N 1 3 311.429 2.958 20 0 DFADHO C(c1nc2c(s1)CCC2)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783875 431520997 /nfs/dbraw/zinc/52/09/97/431520997.db2.gz VRTRJIXHHWVAIE-AWEZNQCLSA-N 1 3 305.491 2.843 20 0 DFADHO CCN1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000647177182 431495489 /nfs/dbraw/zinc/49/54/89/431495489.db2.gz OUXJTHFFYNVXFQ-HNNXBMFYSA-N 1 3 316.449 2.810 20 0 DFADHO COc1ccc([C@@H](CC(C)C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000647284227 431536241 /nfs/dbraw/zinc/53/62/41/431536241.db2.gz IJUGJBMPIMQOKL-IEBWSBKVSA-N 1 3 320.477 2.829 20 0 DFADHO CC(C)C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccncc1 ZINC000647284531 431537470 /nfs/dbraw/zinc/53/74/70/431537470.db2.gz UAXPFJPDEOJERH-SFHVURJKSA-N 1 3 305.466 2.605 20 0 DFADHO CN(CCCN1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000660664743 431538469 /nfs/dbraw/zinc/53/84/69/431538469.db2.gz RYUIVEFRFFOGMF-LJQANCHMSA-N 1 3 301.478 2.931 20 0 DFADHO CN(CCCN1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000660664743 431538471 /nfs/dbraw/zinc/53/84/71/431538471.db2.gz RYUIVEFRFFOGMF-LJQANCHMSA-N 1 3 301.478 2.931 20 0 DFADHO CN(CCCN1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000660664742 431539666 /nfs/dbraw/zinc/53/96/66/431539666.db2.gz RYUIVEFRFFOGMF-IBGZPJMESA-N 1 3 301.478 2.931 20 0 DFADHO CN(CCCN1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000660664742 431539669 /nfs/dbraw/zinc/53/96/69/431539669.db2.gz RYUIVEFRFFOGMF-IBGZPJMESA-N 1 3 301.478 2.931 20 0 DFADHO O[C@@H](Cc1ccccc1)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660678702 431547820 /nfs/dbraw/zinc/54/78/20/431547820.db2.gz ZCASQHLQYSPXBJ-NRFANRHFSA-N 1 3 324.468 2.844 20 0 DFADHO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000355060025 280324754 /nfs/dbraw/zinc/32/47/54/280324754.db2.gz UMWZWVUTPWMRIL-KBAYOESNSA-N 1 3 317.477 2.668 20 0 DFADHO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000355060025 280324759 /nfs/dbraw/zinc/32/47/59/280324759.db2.gz UMWZWVUTPWMRIL-KBAYOESNSA-N 1 3 317.477 2.668 20 0 DFADHO CC1(C)CC(NCc2ccnn2-c2ccncc2)CC(C)(C)[NH2+]1 ZINC000657292357 431652209 /nfs/dbraw/zinc/65/22/09/431652209.db2.gz IPHLPEXHSMTSLY-UHFFFAOYSA-N 1 3 313.449 2.666 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C/C=C/c3ccccc3)C2)C1 ZINC000650706573 431654708 /nfs/dbraw/zinc/65/47/08/431654708.db2.gz NPGSOTCCIONIQN-MEDPVDCCSA-N 1 3 300.446 2.918 20 0 DFADHO Cc1ccc(F)cc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708378 431657636 /nfs/dbraw/zinc/65/76/36/431657636.db2.gz YVLJAXUVBKGGDA-WBAXXEDZSA-N 1 3 306.425 2.852 20 0 DFADHO [NH3+]CC1(CCNCc2cc(F)ccc2Br)CC1 ZINC000650712464 431660226 /nfs/dbraw/zinc/66/02/26/431660226.db2.gz DZDMKSVPPQWXQA-UHFFFAOYSA-N 1 3 301.203 2.807 20 0 DFADHO C[NH2+]Cc1ccccc1CNCc1ccc(-n2cncn2)c(C)c1 ZINC000650719025 431662052 /nfs/dbraw/zinc/66/20/52/431662052.db2.gz AMDHZTQCMZMXLM-UHFFFAOYSA-N 1 3 321.428 2.585 20 0 DFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C[C@@]1(C)CC[NH2+]C1 ZINC000647515627 431613832 /nfs/dbraw/zinc/61/38/32/431613832.db2.gz SKYZVTADYJOJQM-HKUYNNGSSA-N 1 3 301.478 2.582 20 0 DFADHO COc1cccc(CC2CCN(C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000647518386 431615498 /nfs/dbraw/zinc/61/54/98/431615498.db2.gz FEHZFNRWRIZFPN-GOSISDBHSA-N 1 3 302.462 2.949 20 0 DFADHO COc1cccc(CC2CC[NH+](C[C@@H]3CCCNC3)CC2)c1 ZINC000647518386 431615503 /nfs/dbraw/zinc/61/55/03/431615503.db2.gz FEHZFNRWRIZFPN-GOSISDBHSA-N 1 3 302.462 2.949 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2ncccc2C(F)(F)F)C1 ZINC000657182730 431620064 /nfs/dbraw/zinc/62/00/64/431620064.db2.gz MWOVBASZDCSWDE-GFCCVEGCSA-N 1 3 301.356 2.922 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2ncccc2C(F)(F)F)C1 ZINC000657182730 431620074 /nfs/dbraw/zinc/62/00/74/431620074.db2.gz MWOVBASZDCSWDE-GFCCVEGCSA-N 1 3 301.356 2.922 20 0 DFADHO c1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000647544167 431624892 /nfs/dbraw/zinc/62/48/92/431624892.db2.gz XSBYUNKTSWARFZ-HZPDHXFCSA-N 1 3 316.445 2.669 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc3cnccc3c2)CC1 ZINC000647544950 431624918 /nfs/dbraw/zinc/62/49/18/431624918.db2.gz IPAUOWHZPUDRDK-MOPGFXCFSA-N 1 3 311.429 2.563 20 0 DFADHO COc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1O ZINC000647543878 431625854 /nfs/dbraw/zinc/62/58/54/431625854.db2.gz TVUJASFXAAUPAE-HOTGVXAUSA-N 1 3 304.434 2.612 20 0 DFADHO CC(C)n1ccc(C[C@@H](C)NCc2ccc(C[NH3+])cc2F)n1 ZINC000650717753 431661586 /nfs/dbraw/zinc/66/15/86/431661586.db2.gz LMUKOPULXJNEHE-CYBMUJFWSA-N 1 3 304.413 2.783 20 0 DFADHO Cc1nn(C(C)C)cc1CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650724018 431666635 /nfs/dbraw/zinc/66/66/35/431666635.db2.gz XGFNJBFWAOSNPI-RCCFBDPRSA-N 1 3 320.481 2.633 20 0 DFADHO COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1C ZINC000650724169 431667700 /nfs/dbraw/zinc/66/77/00/431667700.db2.gz ZLFDTOKNPUSSLK-SCTDSRPQSA-N 1 3 318.461 2.864 20 0 DFADHO Cc1ncc(C[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)n1C ZINC000657335099 431683336 /nfs/dbraw/zinc/68/33/36/431683336.db2.gz LJRHAXQVCNLFKZ-GOSISDBHSA-N 1 3 312.461 2.730 20 0 DFADHO Cn1cc([C@@H](NCCC2CC[NH2+]CC2)c2cccc(F)c2)cn1 ZINC000650762547 431685347 /nfs/dbraw/zinc/68/53/47/431685347.db2.gz DOGIHKGQGJORGF-SFHVURJKSA-N 1 3 316.424 2.628 20 0 DFADHO Cn1c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc2cc(Cl)ccc21 ZINC000647795828 431690131 /nfs/dbraw/zinc/69/01/31/431690131.db2.gz XGGYIAWFWBNQEH-YRGRVCCFSA-N 1 3 318.852 2.704 20 0 DFADHO c1cnc(OC2CCCC2)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647793321 431690224 /nfs/dbraw/zinc/69/02/24/431690224.db2.gz TXZDXZBDBJAVMP-HYVNUMGLSA-N 1 3 315.461 2.881 20 0 DFADHO c1ccc([C@H]2C[C@@H]2CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000647801170 431691306 /nfs/dbraw/zinc/69/13/06/431691306.db2.gz QESGSDPEBKQQPJ-IEWDOMPSSA-N 1 3 300.446 2.537 20 0 DFADHO Cc1cccc2nc(CC[NH2+][C@@H](C)c3ccc(CN)nc3C)cn21 ZINC000647803741 431693733 /nfs/dbraw/zinc/69/37/33/431693733.db2.gz AHWYVUAGYOITPW-AWEZNQCLSA-N 1 3 323.444 2.698 20 0 DFADHO C[C@H]([NH2+]CC[C@H]1CSc2ccccc2O1)[C@@H]1CCCNC1 ZINC000647801623 431694560 /nfs/dbraw/zinc/69/45/60/431694560.db2.gz ZRZWYHUJDWDORE-ZNMIVQPWSA-N 1 3 306.475 2.908 20 0 DFADHO C[C@H](NCC[C@H]1CSc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000647801623 431694565 /nfs/dbraw/zinc/69/45/65/431694565.db2.gz ZRZWYHUJDWDORE-ZNMIVQPWSA-N 1 3 306.475 2.908 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647801463 431695042 /nfs/dbraw/zinc/69/50/42/431695042.db2.gz WKEFGJDUSJIMHE-ILXRZTDVSA-N 1 3 306.475 2.908 20 0 DFADHO CC[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CO1 ZINC000657354589 431695208 /nfs/dbraw/zinc/69/52/08/431695208.db2.gz SGDUOQUITZXMRF-GBESFXJTSA-N 1 3 302.462 2.708 20 0 DFADHO CC[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000657354589 431695213 /nfs/dbraw/zinc/69/52/13/431695213.db2.gz SGDUOQUITZXMRF-GBESFXJTSA-N 1 3 302.462 2.708 20 0 DFADHO C[C@@H]1SCC[C@@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000647804661 431695330 /nfs/dbraw/zinc/69/53/30/431695330.db2.gz WWFUDAHUWLUJIP-QEWYBTABSA-N 1 3 304.459 2.726 20 0 DFADHO COCc1cccc(OCC2(C[N@H+](C)CCCN)CCC2)c1 ZINC000647847666 431705284 /nfs/dbraw/zinc/70/52/84/431705284.db2.gz ZGCAYHDMTRXCIA-UHFFFAOYSA-N 1 3 306.450 2.663 20 0 DFADHO COCc1cccc(OCC2(C[N@@H+](C)CCCN)CCC2)c1 ZINC000647847666 431705292 /nfs/dbraw/zinc/70/52/92/431705292.db2.gz ZGCAYHDMTRXCIA-UHFFFAOYSA-N 1 3 306.450 2.663 20 0 DFADHO Fc1cccc([C@@H]2CNCCN2CCCC2CC[NH2+]CC2)c1 ZINC000647953318 431746051 /nfs/dbraw/zinc/74/60/51/431746051.db2.gz IGAKPENZRUHUAB-SFHVURJKSA-N 1 3 305.441 2.552 20 0 DFADHO CC[N@H+](C[C@@H](O)CN(C)C(C)C)[C@H](C)c1cccc(OC)c1 ZINC000647960387 431750858 /nfs/dbraw/zinc/75/08/58/431750858.db2.gz WCQABINCEMSYII-WBVHZDCISA-N 1 3 308.466 2.779 20 0 DFADHO CC[N@@H+](C[C@@H](O)CN(C)C(C)C)[C@H](C)c1cccc(OC)c1 ZINC000647960387 431750862 /nfs/dbraw/zinc/75/08/62/431750862.db2.gz WCQABINCEMSYII-WBVHZDCISA-N 1 3 308.466 2.779 20 0 DFADHO CC(C)N(C(=O)[C@@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C(C)C ZINC000647975850 431761921 /nfs/dbraw/zinc/76/19/21/431761921.db2.gz GUIDHGNLNSQCNP-KZNAEPCWSA-N 1 3 323.525 2.732 20 0 DFADHO CN(Cc1cccnc1)C[C@@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000647878312 431717150 /nfs/dbraw/zinc/71/71/50/431717150.db2.gz XUROQNUOAMYHOH-INIZCTEOSA-N 1 3 321.428 2.916 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(Cl)s1 ZINC000657572685 431814577 /nfs/dbraw/zinc/81/45/77/431814577.db2.gz BPWWLVKUAXEVSB-LBPRGKRZSA-N 1 3 303.903 2.763 20 0 DFADHO CCCN(C[C@@H]1CC[NH2+]C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000647991222 431766103 /nfs/dbraw/zinc/76/61/03/431766103.db2.gz MEHNBGWUHQMALR-JKSUJKDBSA-N 1 3 303.450 2.725 20 0 DFADHO CO[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613264 431824484 /nfs/dbraw/zinc/82/44/84/431824484.db2.gz JZIWNHWSNZGBSX-OALUTQOASA-N 1 3 317.477 2.841 20 0 DFADHO c1csc(CNCC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000657612727 431825337 /nfs/dbraw/zinc/82/53/37/431825337.db2.gz QBCMYMNBZCLBSE-UHFFFAOYSA-N 1 3 302.447 2.540 20 0 DFADHO CC[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000657612674 431826147 /nfs/dbraw/zinc/82/61/47/431826147.db2.gz CGVOBIMCYHDVFJ-RBUKOAKNSA-N 1 3 317.477 2.841 20 0 DFADHO Cc1ccc(NC(=O)[C@@H](C2CC2)N2CCCC2)c(C[NH+](C)C)c1 ZINC000124180296 280904283 /nfs/dbraw/zinc/90/42/83/280904283.db2.gz HJTGTKFKOJJYJC-GOSISDBHSA-N 1 3 315.461 2.870 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cncn1C ZINC000153591265 289052232 /nfs/dbraw/zinc/05/22/32/289052232.db2.gz DYYZCNVPYMTPPO-HZPDHXFCSA-N 1 3 312.461 2.666 20 0 DFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418577182 289152768 /nfs/dbraw/zinc/15/27/68/289152768.db2.gz IHURBCVUNNDSAN-DLBZAZTESA-N 1 3 324.513 2.554 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CC[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000438114864 297081019 /nfs/dbraw/zinc/08/10/19/297081019.db2.gz PIWMBTMGLSAVLN-ZIFCJYIRSA-N 1 3 324.509 2.624 20 0 DFADHO COc1cc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc(OC)c1OC ZINC000293316067 295018793 /nfs/dbraw/zinc/01/87/93/295018793.db2.gz FKJAHGZXRZOYDD-CHWSQXEVSA-N 1 3 310.438 2.561 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@@H]1C ZINC000495088492 299902843 /nfs/dbraw/zinc/90/28/43/299902843.db2.gz DWYNWESXZYSFRD-SPYBWZPUSA-N 1 3 302.462 2.777 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]CC2=CCN(C)CC2)c(C)c1OC ZINC000286156741 295137613 /nfs/dbraw/zinc/13/76/13/295137613.db2.gz PDHDRAYTTBDNGV-CQSZACIVSA-N 1 3 318.461 2.795 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000154371985 295298503 /nfs/dbraw/zinc/29/85/03/295298503.db2.gz NEKMRTYIQDZXMS-APWZRJJASA-N 1 3 301.478 2.537 20 0 DFADHO CC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(OC)cc1 ZINC000154378131 295298593 /nfs/dbraw/zinc/29/85/93/295298593.db2.gz GXDWBEDJBUZVCD-IBGZPJMESA-N 1 3 319.493 2.764 20 0 DFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(F)cc(F)c1 ZINC000154394808 295298954 /nfs/dbraw/zinc/29/89/54/295298954.db2.gz YJVWGTNTSHKQPM-CQSZACIVSA-N 1 3 311.420 2.643 20 0 DFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc2c(s1)CCC2 ZINC000154391834 295299168 /nfs/dbraw/zinc/29/91/68/295299168.db2.gz XUWCMBLIIQERHK-HNNXBMFYSA-N 1 3 321.534 2.915 20 0 DFADHO COCCOc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000158144568 295358977 /nfs/dbraw/zinc/35/89/77/295358977.db2.gz PLHULKAATNACGL-JKSUJKDBSA-N 1 3 306.450 2.704 20 0 DFADHO COCCOc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158144568 295358978 /nfs/dbraw/zinc/35/89/78/295358978.db2.gz PLHULKAATNACGL-JKSUJKDBSA-N 1 3 306.450 2.704 20 0 DFADHO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000368088314 295456717 /nfs/dbraw/zinc/45/67/17/295456717.db2.gz GJRUCLSDMIAWKF-SZMVWBNQSA-N 1 3 305.510 2.737 20 0 DFADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000370339173 295459960 /nfs/dbraw/zinc/45/99/60/295459960.db2.gz GUDXCLMDPIUTLY-GOSISDBHSA-N 1 3 305.510 2.833 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])c1ccccc1 ZINC000399403688 295495931 /nfs/dbraw/zinc/49/59/31/295495931.db2.gz XDGPPGXFYNQQGK-JQHSSLGASA-N 1 3 319.493 2.805 20 0 DFADHO CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438569942 297099191 /nfs/dbraw/zinc/09/91/91/297099191.db2.gz UZGNSSXLOALYIR-AEFFLSMTSA-N 1 3 321.509 2.774 20 0 DFADHO CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438569942 297099192 /nfs/dbraw/zinc/09/91/92/297099192.db2.gz UZGNSSXLOALYIR-AEFFLSMTSA-N 1 3 321.509 2.774 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000440112994 297144748 /nfs/dbraw/zinc/14/47/48/297144748.db2.gz YRJBGXBYDZTYCX-KRWDZBQOSA-N 1 3 321.509 2.773 20 0 DFADHO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN2C2CCCC2)CCCCC1 ZINC000440156945 297146012 /nfs/dbraw/zinc/14/60/12/297146012.db2.gz PPOSOCXUVOVIER-KRWDZBQOSA-N 1 3 321.509 2.774 20 0 DFADHO CC(C)[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)N1CCCCC1 ZINC000442194444 297192666 /nfs/dbraw/zinc/19/26/66/297192666.db2.gz CQJFCJHLQVTISU-ABHNRTSZSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1cccc2ccccc21 ZINC000442750988 297204417 /nfs/dbraw/zinc/20/44/17/297204417.db2.gz BKMYLKATYPWJCE-HUUCEWRRSA-N 1 3 311.429 2.838 20 0 DFADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000442750988 297204419 /nfs/dbraw/zinc/20/44/19/297204419.db2.gz BKMYLKATYPWJCE-HUUCEWRRSA-N 1 3 311.429 2.838 20 0 DFADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000442750988 297204420 /nfs/dbraw/zinc/20/44/20/297204420.db2.gz BKMYLKATYPWJCE-HUUCEWRRSA-N 1 3 311.429 2.838 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CCCc3sccc32)CC1(C)C ZINC000442873392 297208752 /nfs/dbraw/zinc/20/87/52/297208752.db2.gz KYAYYNMVLNINKN-HNNXBMFYSA-N 1 3 307.507 2.741 20 0 DFADHO [NH3+]CC[C@H]1CCCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000442916834 297211279 /nfs/dbraw/zinc/21/12/79/297211279.db2.gz ARKAOYMTOXVMLM-GFCCVEGCSA-N 1 3 320.387 2.916 20 0 DFADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443058235 297213837 /nfs/dbraw/zinc/21/38/37/297213837.db2.gz MRMCBMOEUCSWDQ-SJLPKXTDSA-N 1 3 317.477 2.657 20 0 DFADHO COC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000446819716 297287337 /nfs/dbraw/zinc/28/73/37/297287337.db2.gz VDFBCZVRXLDULY-SOLBZPMBSA-N 1 3 312.498 2.671 20 0 DFADHO CCOC1CC(O)(CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000446850381 297288952 /nfs/dbraw/zinc/28/89/52/297288952.db2.gz YPKOBHMBAXJYNL-SVUBNXHSSA-N 1 3 324.509 2.549 20 0 DFADHO CCOC1CC(O)(C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000446850381 297288954 /nfs/dbraw/zinc/28/89/54/297288954.db2.gz YPKOBHMBAXJYNL-SVUBNXHSSA-N 1 3 324.509 2.549 20 0 DFADHO COc1ccc2c(c1)[C@@H](NCCOCC[NH+](C)C)CCCS2 ZINC000447601820 297310325 /nfs/dbraw/zinc/31/03/25/297310325.db2.gz REDVGQHFYFZICW-INIZCTEOSA-N 1 3 324.490 2.790 20 0 DFADHO CCc1ccc2nccc(NC3CC[NH+](CCOC)CC3)c2c1 ZINC000450279817 297606933 /nfs/dbraw/zinc/60/69/33/297606933.db2.gz WNAZFOBJQRREDR-UHFFFAOYSA-N 1 3 313.445 2.742 20 0 DFADHO COC1([C@H](C)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000453055092 298057326 /nfs/dbraw/zinc/05/73/26/298057326.db2.gz DCPQYKFYNSPWCH-BBWFWOEESA-N 1 3 312.498 2.528 20 0 DFADHO COC1([C@H](C)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000453055092 298057329 /nfs/dbraw/zinc/05/73/29/298057329.db2.gz DCPQYKFYNSPWCH-BBWFWOEESA-N 1 3 312.498 2.528 20 0 DFADHO COC1([C@H](C)[NH2+]CCCN2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000453055092 298057330 /nfs/dbraw/zinc/05/73/30/298057330.db2.gz DCPQYKFYNSPWCH-BBWFWOEESA-N 1 3 312.498 2.528 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)CO2 ZINC000453061240 298058787 /nfs/dbraw/zinc/05/87/87/298058787.db2.gz NMIBSZKODQTGHF-NVXWUHKLSA-N 1 3 318.461 2.710 20 0 DFADHO COC1([C@H](C)NCCC[NH+](C(C)C)C(C)C)CCOCC1 ZINC000453115523 298063437 /nfs/dbraw/zinc/06/34/37/298063437.db2.gz IDFYHGJZUYXQHE-INIZCTEOSA-N 1 3 300.487 2.669 20 0 DFADHO COC1([C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)CCOCC1 ZINC000453120931 298064528 /nfs/dbraw/zinc/06/45/28/298064528.db2.gz CWQZNMSGUKNYOY-MRXNPFEDSA-N 1 3 324.509 2.957 20 0 DFADHO COC1([C@@H](C)NC2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000453120931 298064530 /nfs/dbraw/zinc/06/45/30/298064530.db2.gz CWQZNMSGUKNYOY-MRXNPFEDSA-N 1 3 324.509 2.957 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453179640 298069269 /nfs/dbraw/zinc/06/92/69/298069269.db2.gz UYYOJGIXIOTDQQ-YDZRNGNQSA-N 1 3 300.446 2.808 20 0 DFADHO c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453179640 298069272 /nfs/dbraw/zinc/06/92/72/298069272.db2.gz UYYOJGIXIOTDQQ-YDZRNGNQSA-N 1 3 300.446 2.808 20 0 DFADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453182901 298069413 /nfs/dbraw/zinc/06/94/13/298069413.db2.gz SURLJDLRURKOQO-HNNXBMFYSA-N 1 3 310.445 3.000 20 0 DFADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453182901 298069417 /nfs/dbraw/zinc/06/94/17/298069417.db2.gz SURLJDLRURKOQO-HNNXBMFYSA-N 1 3 310.445 3.000 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]CC[C@H](C)N1CCCCC1)CO2 ZINC000453195959 298070585 /nfs/dbraw/zinc/07/05/85/298070585.db2.gz QJRXGGHCYBIYKR-RDJZCZTQSA-N 1 3 318.461 2.853 20 0 DFADHO CC(C)OCCOC1CCN([C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000453354432 298086604 /nfs/dbraw/zinc/08/66/04/298086604.db2.gz JSCXVVDDUVRRLA-IAGOWNOFSA-N 1 3 310.482 2.519 20 0 DFADHO CC(C)OCCOC1CCN([C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000453354432 298086607 /nfs/dbraw/zinc/08/66/07/298086607.db2.gz JSCXVVDDUVRRLA-IAGOWNOFSA-N 1 3 310.482 2.519 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000454357220 298161386 /nfs/dbraw/zinc/16/13/86/298161386.db2.gz NWSVESGIVNELCR-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NCC[N@H+]2CCCC2(C)C)c1 ZINC000454357220 298161388 /nfs/dbraw/zinc/16/13/88/298161388.db2.gz NWSVESGIVNELCR-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO CCOC(=O)N1CCC([NH2+]CCNC2CCCCCC2)CC1 ZINC000496379186 300054908 /nfs/dbraw/zinc/05/49/08/300054908.db2.gz GYCZNNXLHHBOFF-UHFFFAOYSA-N 1 3 311.470 2.509 20 0 DFADHO COCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000514092363 300259067 /nfs/dbraw/zinc/25/90/67/300259067.db2.gz FAVHWXNCUDXGAS-IPMKNSEASA-N 1 3 302.462 2.913 20 0 DFADHO COCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000514092363 300259072 /nfs/dbraw/zinc/25/90/72/300259072.db2.gz FAVHWXNCUDXGAS-IPMKNSEASA-N 1 3 302.462 2.913 20 0 DFADHO COCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000514092363 300259076 /nfs/dbraw/zinc/25/90/76/300259076.db2.gz FAVHWXNCUDXGAS-IPMKNSEASA-N 1 3 302.462 2.913 20 0 DFADHO CCCCN1CCC([NH2+]CCC(=O)Nc2ccc(C)cn2)CC1 ZINC000514824992 300273130 /nfs/dbraw/zinc/27/31/30/300273130.db2.gz GESOUIXVJOFJOM-UHFFFAOYSA-N 1 3 318.465 2.573 20 0 DFADHO CCCC[NH+]1CCC(NCCC(=O)Nc2ccc(C)cn2)CC1 ZINC000514824992 300273133 /nfs/dbraw/zinc/27/31/33/300273133.db2.gz GESOUIXVJOFJOM-UHFFFAOYSA-N 1 3 318.465 2.573 20 0 DFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCOCC(F)(F)F ZINC000515232710 300296491 /nfs/dbraw/zinc/29/64/91/300296491.db2.gz FXWXZBZBXSVNOG-OCCSQVGLSA-N 1 3 304.356 2.504 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@H+](C1CC1)C1CCNCC1 ZINC000530206638 301028723 /nfs/dbraw/zinc/02/87/23/301028723.db2.gz MDMPNHICQNKUFG-GOSISDBHSA-N 1 3 306.425 2.600 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@@H+](C1CC1)C1CCNCC1 ZINC000530206638 301028726 /nfs/dbraw/zinc/02/87/26/301028726.db2.gz MDMPNHICQNKUFG-GOSISDBHSA-N 1 3 306.425 2.600 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530214328 301029425 /nfs/dbraw/zinc/02/94/25/301029425.db2.gz XTMXYTPVEVKOLO-GDIGMMSISA-N 1 3 302.462 2.524 20 0 DFADHO CCC(F)(F)C(C)(C)CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000530219705 301031195 /nfs/dbraw/zinc/03/11/95/301031195.db2.gz QAWBHZLFQHEFMM-MGPQQGTHSA-N 1 3 304.425 2.805 20 0 DFADHO CCOc1ccccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247646 301033658 /nfs/dbraw/zinc/03/36/58/301033658.db2.gz BLICSSOVDNTOOZ-SFHVURJKSA-N 1 3 318.461 2.676 20 0 DFADHO COc1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1C ZINC000530248790 301034336 /nfs/dbraw/zinc/03/43/36/301034336.db2.gz PBOSGLFVUCAICN-SFHVURJKSA-N 1 3 318.461 2.594 20 0 DFADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCc2cncn2C)CC1 ZINC000530513255 301052711 /nfs/dbraw/zinc/05/27/11/301052711.db2.gz XNWBXZBJWVWOLJ-MAUKXSAKSA-N 1 3 304.482 2.595 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000531691842 301104247 /nfs/dbraw/zinc/10/42/47/301104247.db2.gz QOIQKLGIWPFRDY-SFHVURJKSA-N 1 3 321.896 2.943 20 0 DFADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531701617 301104760 /nfs/dbraw/zinc/10/47/60/301104760.db2.gz AMEZCBIBKPHRQJ-GJZGRUSLSA-N 1 3 315.461 2.954 20 0 DFADHO C[C@@H]1CCN(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000532239216 301139065 /nfs/dbraw/zinc/13/90/65/301139065.db2.gz KDTJTYWPHZOBOG-GGPKGHCWSA-N 1 3 315.505 2.828 20 0 DFADHO CC(C)(C)N1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000533376522 301198495 /nfs/dbraw/zinc/19/84/95/301198495.db2.gz XGLMZDGJFWUSPI-KRWDZBQOSA-N 1 3 321.509 2.726 20 0 DFADHO CC(C)(C)N1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000533376522 301198496 /nfs/dbraw/zinc/19/84/96/301198496.db2.gz XGLMZDGJFWUSPI-KRWDZBQOSA-N 1 3 321.509 2.726 20 0 DFADHO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCCCN2CCN(C)CC2)o1 ZINC000537237840 301296707 /nfs/dbraw/zinc/29/67/07/301296707.db2.gz UCSKTUFANRVGNI-DOTOQJQBSA-N 1 3 305.466 2.520 20 0 DFADHO C[NH+](C)CCOc1ccccc1N1CCN(CC(C)(C)C)CC1 ZINC000537636914 301307027 /nfs/dbraw/zinc/30/70/27/301307027.db2.gz PGXXTMKZGZSOQS-UHFFFAOYSA-N 1 3 319.493 2.795 20 0 DFADHO CCN(Cc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1)C1CC1 ZINC000540517730 301364528 /nfs/dbraw/zinc/36/45/28/301364528.db2.gz XGGIGOQBMAXLQZ-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO CC[NH+](CC)CCOCCNCc1ccnc2ccccc12 ZINC000541762059 301396933 /nfs/dbraw/zinc/39/69/33/301396933.db2.gz OCYCYUQPCUWLTO-UHFFFAOYSA-N 1 3 301.434 2.683 20 0 DFADHO COc1cc2c(cc1CNCCCC[N@H+](C)C1CC1)O[C@@H](C)C2 ZINC000562803603 302004168 /nfs/dbraw/zinc/00/41/68/302004168.db2.gz PTDNKPGRJUITBM-AWEZNQCLSA-N 1 3 318.461 2.983 20 0 DFADHO COc1cc2c(cc1CNCCCC[N@@H+](C)C1CC1)O[C@@H](C)C2 ZINC000562803603 302004170 /nfs/dbraw/zinc/00/41/70/302004170.db2.gz PTDNKPGRJUITBM-AWEZNQCLSA-N 1 3 318.461 2.983 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cccc(-c2ccccn2)c1 ZINC000562959513 302018072 /nfs/dbraw/zinc/01/80/72/302018072.db2.gz WBZVEEUKTKFMHT-FNHZYXHNSA-N 1 3 311.429 2.591 20 0 DFADHO CC1CC[NH+](C2CCC(NC[C@@H](O)C(F)(F)F)CC2)CC1 ZINC000562995795 302022763 /nfs/dbraw/zinc/02/27/63/302022763.db2.gz FHGSZKUISBKNNP-JXQTWKCFSA-N 1 3 308.388 2.542 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000563424712 302071282 /nfs/dbraw/zinc/07/12/82/302071282.db2.gz LMBAGNKOSCEUGM-QZTJIDSGSA-N 1 3 315.461 2.672 20 0 DFADHO CC(=O)Nc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000564823841 302161203 /nfs/dbraw/zinc/16/12/03/302161203.db2.gz NDGHXDFDQATXJC-GUDVDZBRSA-N 1 3 315.461 2.698 20 0 DFADHO c1cc(OCCN2CCCCC2)ccc1OCC[C@H]1CC[NH2+]C1 ZINC000564840915 302163087 /nfs/dbraw/zinc/16/30/87/302163087.db2.gz YLQBVJYQEQOYMM-QGZVFWFLSA-N 1 3 318.461 2.930 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000565661266 302235987 /nfs/dbraw/zinc/23/59/87/302235987.db2.gz RJJGBHSDOBRWNO-CRAIPNDOSA-N 1 3 321.509 2.617 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000565661266 302235989 /nfs/dbraw/zinc/23/59/89/302235989.db2.gz RJJGBHSDOBRWNO-CRAIPNDOSA-N 1 3 321.509 2.617 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000565827555 302244023 /nfs/dbraw/zinc/24/40/23/302244023.db2.gz BIXYFYZUJJPSMX-RHSMWYFYSA-N 1 3 303.450 2.849 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(NC(=O)c3cccnc3)cc2)C1 ZINC000566020538 302254136 /nfs/dbraw/zinc/25/41/36/302254136.db2.gz TZYOLWWKXSQHHY-FUHWJXTLSA-N 1 3 324.428 2.693 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000566091204 302258551 /nfs/dbraw/zinc/25/85/51/302258551.db2.gz ARWCYZLVKKZCPN-GXTWGEPZSA-N 1 3 320.824 2.650 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC(C)(C)C)CC2)CC1 ZINC000566438087 302286347 /nfs/dbraw/zinc/28/63/47/302286347.db2.gz WYCVDQSQXBAOMM-UHFFFAOYSA-N 1 3 323.525 2.687 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C(C)C)C3CC3)CC2)CC1 ZINC000567364349 302353878 /nfs/dbraw/zinc/35/38/78/302353878.db2.gz HDQLDVMDKBDXLY-UHFFFAOYSA-N 1 3 321.509 2.582 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000567406963 302357081 /nfs/dbraw/zinc/35/70/81/302357081.db2.gz XUHPFOZTIJGWQM-ZIFCJYIRSA-N 1 3 319.493 2.938 20 0 DFADHO C[C@H](NCCc1cccc(C(F)(F)F)n1)[C@H]1CCC[NH2+]C1 ZINC000567490147 302364029 /nfs/dbraw/zinc/36/40/29/302364029.db2.gz VVCTVFRSGZHEJQ-RYUDHWBXSA-N 1 3 301.356 2.621 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC000567857900 302393574 /nfs/dbraw/zinc/39/35/74/302393574.db2.gz PLYMDEHWKHAHQP-SJQORLFUSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000567857900 302393575 /nfs/dbraw/zinc/39/35/75/302393575.db2.gz PLYMDEHWKHAHQP-SJQORLFUSA-N 1 3 300.446 2.949 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000568768004 302477165 /nfs/dbraw/zinc/47/71/65/302477165.db2.gz CXKWVYNWUGMMBG-KBPBESRZSA-N 1 3 320.824 2.792 20 0 DFADHO Cc1ccc2nccc(N3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)c2c1 ZINC000572348444 302656616 /nfs/dbraw/zinc/65/66/16/302656616.db2.gz LDEPOELQTNAGSV-APWZRJJASA-N 1 3 311.429 2.876 20 0 DFADHO [NH3+]CCC1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000573494467 302707755 /nfs/dbraw/zinc/70/77/55/302707755.db2.gz HFXHNINNAAAWEJ-UHFFFAOYSA-N 1 3 302.447 2.766 20 0 DFADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(F)c1F ZINC000183262469 316135440 /nfs/dbraw/zinc/13/54/40/316135440.db2.gz NYZZOWZQTWQYMX-UONOGXRCSA-N 1 3 312.404 2.852 20 0 DFADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc(F)c1F ZINC000183262469 316135445 /nfs/dbraw/zinc/13/54/45/316135445.db2.gz NYZZOWZQTWQYMX-UONOGXRCSA-N 1 3 312.404 2.852 20 0 DFADHO C[C@@H](NCCN1CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686655 316189958 /nfs/dbraw/zinc/18/99/58/316189958.db2.gz WUECUVXKHWAMCQ-QZTJIDSGSA-N 1 3 307.526 2.961 20 0 DFADHO C[C@@H](NCCN1CCC(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686655 316189961 /nfs/dbraw/zinc/18/99/61/316189961.db2.gz WUECUVXKHWAMCQ-QZTJIDSGSA-N 1 3 307.526 2.961 20 0 DFADHO COc1cc2c(cc1CN1CCC[C@H](CC[NH3+])C1)O[C@H](C)C2 ZINC000317068393 316247349 /nfs/dbraw/zinc/24/73/49/316247349.db2.gz ZJTOESVPZZCNPJ-ZIAGYGMSSA-N 1 3 304.434 2.579 20 0 DFADHO Cc1cc(C)c([C@H](C)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000319119806 316250248 /nfs/dbraw/zinc/25/02/48/316250248.db2.gz UOAABROFKIGCDL-ZWKOTPCHSA-N 1 3 301.478 2.652 20 0 DFADHO C[NH+](C)Cc1ccc(NC(=O)[C@@H](N)CC2CCCCC2)cc1 ZINC000319585193 316251249 /nfs/dbraw/zinc/25/12/49/316251249.db2.gz STEMOINLFQPZRJ-KRWDZBQOSA-N 1 3 303.450 2.984 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000336714986 316299701 /nfs/dbraw/zinc/29/97/01/316299701.db2.gz OLHYFVNNCHZFOC-VQIMIIECSA-N 1 3 301.478 2.581 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCc2ccc(NCCOC)cc2)[C@@H](C)C1 ZINC000347308765 316319884 /nfs/dbraw/zinc/31/98/84/316319884.db2.gz JRVZFCZSEWIVFF-MAUKXSAKSA-N 1 3 305.466 2.565 20 0 DFADHO CC[N@H+]1CC[C@@H](NCc2ccc(NCCOC)cc2)[C@@H](C)C1 ZINC000347308765 316319887 /nfs/dbraw/zinc/31/98/87/316319887.db2.gz JRVZFCZSEWIVFF-MAUKXSAKSA-N 1 3 305.466 2.565 20 0 DFADHO CN1CC[C@@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000349930579 316371417 /nfs/dbraw/zinc/37/14/17/316371417.db2.gz XKQPHYGCNDTIQL-MRXNPFEDSA-N 1 3 312.417 2.752 20 0 DFADHO COc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1Br ZINC000414785903 316655707 /nfs/dbraw/zinc/65/57/07/316655707.db2.gz ABUXOHOHNLGDKB-YPMHNXCESA-N 1 3 313.239 2.675 20 0 DFADHO CCOc1cc(CN[C@H]2CCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000414788641 316657555 /nfs/dbraw/zinc/65/75/55/316657555.db2.gz DROLWSMRUBNGGO-STQMWFEESA-N 1 3 314.376 2.904 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(Oc2cnccn2)cc1 ZINC000414792955 316659708 /nfs/dbraw/zinc/65/97/08/316659708.db2.gz CUFUQGKDVXBWRP-RDJZCZTQSA-N 1 3 312.417 2.876 20 0 DFADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@@H](C)O ZINC000449546530 317040082 /nfs/dbraw/zinc/04/00/82/317040082.db2.gz WAILYJHITWEOCJ-GYFISPQKSA-N 1 3 302.462 2.646 20 0 DFADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000450097939 317059401 /nfs/dbraw/zinc/05/94/01/317059401.db2.gz RQZDFGOLPGDWOI-NXHRZFHOSA-N 1 3 321.509 2.628 20 0 DFADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000450097939 317059405 /nfs/dbraw/zinc/05/94/05/317059405.db2.gz RQZDFGOLPGDWOI-NXHRZFHOSA-N 1 3 321.509 2.628 20 0 DFADHO CC[C@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccncc1 ZINC000453101111 317162107 /nfs/dbraw/zinc/16/21/07/317162107.db2.gz YTUNXAZGLXTZDE-SFHVURJKSA-N 1 3 304.482 2.540 20 0 DFADHO CC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccncc1 ZINC000453106440 317163577 /nfs/dbraw/zinc/16/35/77/317163577.db2.gz DKMPIQNVPFEWIV-QAPCUYQASA-N 1 3 303.450 2.623 20 0 DFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000456705641 317244887 /nfs/dbraw/zinc/24/48/87/317244887.db2.gz IHAZKHGFVBRMFM-JKSUJKDBSA-N 1 3 323.525 2.543 20 0 DFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000456705641 317244891 /nfs/dbraw/zinc/24/48/91/317244891.db2.gz IHAZKHGFVBRMFM-JKSUJKDBSA-N 1 3 323.525 2.543 20 0 DFADHO C[C@@H]1CSCCN(C/C=C\C[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000488183678 317373238 /nfs/dbraw/zinc/37/32/38/317373238.db2.gz YFNVXGVTBIKNBF-HFZJXRFXSA-N 1 3 314.564 2.912 20 0 DFADHO C[C@@H]1CSCCN(C/C=C\C[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000488183678 317373240 /nfs/dbraw/zinc/37/32/40/317373240.db2.gz YFNVXGVTBIKNBF-HFZJXRFXSA-N 1 3 314.564 2.912 20 0 DFADHO CC1CC[NH+](C[C@H](O)CN[C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488433103 317392388 /nfs/dbraw/zinc/39/23/88/317392388.db2.gz MXEJCJDZULOEIW-ARFHVFGLSA-N 1 3 314.539 2.589 20 0 DFADHO C[C@@H]1CCCC[C@H]1OCCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240392 317777992 /nfs/dbraw/zinc/77/79/92/317777992.db2.gz LJBRNJPLNMWBPG-NZSAHSFTSA-N 1 3 324.509 2.672 20 0 DFADHO C[C@@H](c1cccc(F)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242519 317778485 /nfs/dbraw/zinc/77/84/85/317778485.db2.gz UKVFNZVAEBNKHP-KSSFIOAISA-N 1 3 306.425 2.977 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000565903513 317932843 /nfs/dbraw/zinc/93/28/43/317932843.db2.gz JDQAFYISWJJPDS-CABCVRRESA-N 1 3 303.381 2.883 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000566480986 317951636 /nfs/dbraw/zinc/95/16/36/317951636.db2.gz DFJKWDIQZIMMFP-IEBWSBKVSA-N 1 3 317.477 2.573 20 0 DFADHO CC[NH+]1CCC(CNC(=O)C[C@@H](c2ccccc2)N(C)C)CC1 ZINC000568846475 317966168 /nfs/dbraw/zinc/96/61/68/317966168.db2.gz WMIQHYDUWLMXNB-SFHVURJKSA-N 1 3 317.477 2.528 20 0 DFADHO COc1cccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1OC ZINC000570953594 317972580 /nfs/dbraw/zinc/97/25/80/317972580.db2.gz RVKGAYXXINOMLT-BBWFWOEESA-N 1 3 318.461 2.757 20 0 DFADHO CC1=C[C@@H](C)C[C@@H](C[NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C1 ZINC000573409430 318018555 /nfs/dbraw/zinc/01/85/55/318018555.db2.gz OHHJUDODSJFOHZ-NXHRZFHOSA-N 1 3 323.525 2.661 20 0 DFADHO C[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)[C@H](C)C1CCCCC1 ZINC000574803640 318041060 /nfs/dbraw/zinc/04/10/60/318041060.db2.gz OTIPQQUIKNUCSO-UONOGXRCSA-N 1 3 319.497 2.966 20 0 DFADHO CC1CC[NH+](Cc2ccccc2CNCC2(O)CCC2)CC1 ZINC000575116460 318063892 /nfs/dbraw/zinc/06/38/92/318063892.db2.gz AGVDOLAPODVGCO-UHFFFAOYSA-N 1 3 302.462 2.923 20 0 DFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000575984656 318096120 /nfs/dbraw/zinc/09/61/20/318096120.db2.gz BRLASLJXOJMYOF-DOTOQJQBSA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000575984656 318096121 /nfs/dbraw/zinc/09/61/21/318096121.db2.gz BRLASLJXOJMYOF-DOTOQJQBSA-N 1 3 317.477 2.559 20 0 DFADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000576746433 318146987 /nfs/dbraw/zinc/14/69/87/318146987.db2.gz HZWRGYSSTGKZPG-NHCUHLMSSA-N 1 3 324.468 2.702 20 0 DFADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000576746433 318146989 /nfs/dbraw/zinc/14/69/89/318146989.db2.gz HZWRGYSSTGKZPG-NHCUHLMSSA-N 1 3 324.468 2.702 20 0 DFADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000576746436 318147080 /nfs/dbraw/zinc/14/70/80/318147080.db2.gz HZWRGYSSTGKZPG-RTWAWAEBSA-N 1 3 324.468 2.702 20 0 DFADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000576746436 318147082 /nfs/dbraw/zinc/14/70/82/318147082.db2.gz HZWRGYSSTGKZPG-RTWAWAEBSA-N 1 3 324.468 2.702 20 0 DFADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCC(O)(C(F)(F)F)CC1 ZINC000576814953 318151958 /nfs/dbraw/zinc/15/19/58/318151958.db2.gz LLBSOAFVYIYFGL-MBHSVXNSSA-N 1 3 308.388 2.590 20 0 DFADHO CC[NH+](CC)CCSCC(=O)Nc1ccccc1CN(C)C ZINC000577001710 318165105 /nfs/dbraw/zinc/16/51/05/318165105.db2.gz FKYJHACNCVCBGG-UHFFFAOYSA-N 1 3 323.506 2.762 20 0 DFADHO C[NH+](C)CC[C@@H](NC[C@@H](O)Cc1ccc(F)cc1)C(C)(C)C ZINC000577054817 318167932 /nfs/dbraw/zinc/16/79/32/318167932.db2.gz FGBZGAQCSLOTCI-DLBZAZTESA-N 1 3 310.457 2.685 20 0 DFADHO C[C@@H]([NH2+]CCc1cccc(Br)c1)[C@@H]1CCCNC1 ZINC000577161759 318174743 /nfs/dbraw/zinc/17/47/43/318174743.db2.gz QAAARFVOGVOQIQ-TZMCWYRMSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H](NCCc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000577161759 318174746 /nfs/dbraw/zinc/17/47/46/318174746.db2.gz QAAARFVOGVOQIQ-TZMCWYRMSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H](CNCCC(=O)Nc1cccc(F)c1)C[NH+]1CCCCC1 ZINC000577215696 318178760 /nfs/dbraw/zinc/17/87/60/318178760.db2.gz IPGHTFDZVZNTOX-OAHLLOKOSA-N 1 3 321.440 2.866 20 0 DFADHO C[C@H](C[NH2+]CCC(=O)Nc1cccc(F)c1)CN1CCCCC1 ZINC000577215696 318178761 /nfs/dbraw/zinc/17/87/61/318178761.db2.gz IPGHTFDZVZNTOX-OAHLLOKOSA-N 1 3 321.440 2.866 20 0 DFADHO CC[C@@H]1CN(C[C@H](O)C[N@H+](C)CC)CC[C@@H]1c1ccccc1 ZINC000577454582 318193274 /nfs/dbraw/zinc/19/32/74/318193274.db2.gz NRJKOJKMFBTEHW-QRQLOZEOSA-N 1 3 304.478 2.815 20 0 DFADHO CC[C@@H]1CN(C[C@H](O)C[N@@H+](C)CC)CC[C@@H]1c1ccccc1 ZINC000577454582 318193277 /nfs/dbraw/zinc/19/32/77/318193277.db2.gz NRJKOJKMFBTEHW-QRQLOZEOSA-N 1 3 304.478 2.815 20 0 DFADHO CC[N@H+](C)Cc1cccc(CNC[C@@](C)(O)C(F)(F)F)c1 ZINC000577621928 318205786 /nfs/dbraw/zinc/20/57/86/318205786.db2.gz LPVXKIDKZJLNKV-CQSZACIVSA-N 1 3 304.356 2.541 20 0 DFADHO CC[N@@H+](C)Cc1cccc(CNC[C@@](C)(O)C(F)(F)F)c1 ZINC000577621928 318205788 /nfs/dbraw/zinc/20/57/88/318205788.db2.gz LPVXKIDKZJLNKV-CQSZACIVSA-N 1 3 304.356 2.541 20 0 DFADHO NC1(C[NH2+][C@@H]2CCC23CCOCC3)C2CC3CC(C2)CC1C3 ZINC000577740297 318213820 /nfs/dbraw/zinc/21/38/20/318213820.db2.gz SCPGZAGQMFZLNU-CMPFZWEDSA-N 1 3 304.478 2.689 20 0 DFADHO C[C@@H]1[C@H]([NH2+]C[C@H]2CCCN(C)C2)CCCN1Cc1ccccc1 ZINC000577873241 318223727 /nfs/dbraw/zinc/22/37/27/318223727.db2.gz UTKBFSPLTBOTIJ-MISYRCLQSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H]1[C@H]([NH2+]C[C@@H]2CCCN(C)C2)CCCN1Cc1ccccc1 ZINC000577873243 318223826 /nfs/dbraw/zinc/22/38/26/318223826.db2.gz UTKBFSPLTBOTIJ-YZGWKJHDSA-N 1 3 315.505 2.971 20 0 DFADHO c1ccc(CCOCCCN2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000578237530 318247649 /nfs/dbraw/zinc/24/76/49/318247649.db2.gz QLOSAGFTQCIPBC-LJQANCHMSA-N 1 3 302.462 2.711 20 0 DFADHO c1ccc(CCOCCC[N@@H+]2CC[C@]3(C2)CCCNC3)cc1 ZINC000578237530 318247652 /nfs/dbraw/zinc/24/76/52/318247652.db2.gz QLOSAGFTQCIPBC-LJQANCHMSA-N 1 3 302.462 2.711 20 0 DFADHO c1ccc(CCOCCC[N@H+]2CC[C@]3(C2)CCCNC3)cc1 ZINC000578237530 318247655 /nfs/dbraw/zinc/24/76/55/318247655.db2.gz QLOSAGFTQCIPBC-LJQANCHMSA-N 1 3 302.462 2.711 20 0 DFADHO C[C@H](NC(=O)CCCC[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC000578568992 318270040 /nfs/dbraw/zinc/27/00/40/318270040.db2.gz FOMKHHTYOBGXGG-MAUKXSAKSA-N 1 3 305.466 2.526 20 0 DFADHO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000578832261 318287460 /nfs/dbraw/zinc/28/74/60/318287460.db2.gz JSXIIOQWNXFGLT-IEWDOMPSSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000578981622 318299307 /nfs/dbraw/zinc/29/93/07/318299307.db2.gz PSCGQSYIIJUYGS-IPFAQRCESA-N 1 3 302.462 2.756 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000578981622 318299309 /nfs/dbraw/zinc/29/93/09/318299309.db2.gz PSCGQSYIIJUYGS-IPFAQRCESA-N 1 3 302.462 2.756 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H](O)Cc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000578998270 318300589 /nfs/dbraw/zinc/30/05/89/318300589.db2.gz QHENVBZZMZUVOG-YSGRDPCXSA-N 1 3 312.457 2.816 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H](O)Cc2ccc3ccccc3c2)CC[N@H+]1C ZINC000578998270 318300592 /nfs/dbraw/zinc/30/05/92/318300592.db2.gz QHENVBZZMZUVOG-YSGRDPCXSA-N 1 3 312.457 2.816 20 0 DFADHO CC1CCN([C@H](CNC(=O)CCCC[NH3+])c2cccs2)CC1 ZINC000579115988 318308354 /nfs/dbraw/zinc/30/83/54/318308354.db2.gz AFUBJZYMXBAIGX-OAHLLOKOSA-N 1 3 323.506 2.766 20 0 DFADHO Cc1cc(NC(=O)CCCC[NH3+])ccc1OCCN1CCCC1 ZINC000579469827 318332419 /nfs/dbraw/zinc/33/24/19/318332419.db2.gz IURSXPOOGOJCDZ-UHFFFAOYSA-N 1 3 319.449 2.537 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCN(C(C)C)C2)C[C@H]1C ZINC000579577881 318339706 /nfs/dbraw/zinc/33/97/06/318339706.db2.gz PSIWQQZCUDIDHW-WCXIOVBPSA-N 1 3 310.482 2.674 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000579613344 318343365 /nfs/dbraw/zinc/34/33/65/318343365.db2.gz MCBPVFUYNZPOOI-STQMWFEESA-N 1 3 309.841 2.837 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000579613344 318343366 /nfs/dbraw/zinc/34/33/66/318343366.db2.gz MCBPVFUYNZPOOI-STQMWFEESA-N 1 3 309.841 2.837 20 0 DFADHO C[C@H](C[N@H+](C)CCCN(C)CCN(C)C)c1ccc(F)cc1 ZINC000580128421 318377055 /nfs/dbraw/zinc/37/70/55/318377055.db2.gz GPTXRUKAODRTOH-MRXNPFEDSA-N 1 3 309.473 2.745 20 0 DFADHO C[C@H](C[N@@H+](C)CCCN(C)CCN(C)C)c1ccc(F)cc1 ZINC000580128421 318377057 /nfs/dbraw/zinc/37/70/57/318377057.db2.gz GPTXRUKAODRTOH-MRXNPFEDSA-N 1 3 309.473 2.745 20 0 DFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000387494156 323325664 /nfs/dbraw/zinc/32/56/64/323325664.db2.gz AZVXJSLAKOGOIW-RDJZCZTQSA-N 1 3 319.493 2.647 20 0 DFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000387678992 323327212 /nfs/dbraw/zinc/32/72/12/323327212.db2.gz RTHCJJZURKMOPG-ZNMIVQPWSA-N 1 3 313.486 2.704 20 0 DFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000387678992 323327215 /nfs/dbraw/zinc/32/72/15/323327215.db2.gz RTHCJJZURKMOPG-ZNMIVQPWSA-N 1 3 313.486 2.704 20 0 DFADHO CC(C)CN(CCN(C)C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000387784804 323327443 /nfs/dbraw/zinc/32/74/43/323327443.db2.gz JJHYXEFAXVYKJZ-QGZVFWFLSA-N 1 3 305.466 2.513 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CN ZINC000389787632 323337689 /nfs/dbraw/zinc/33/76/89/323337689.db2.gz NBHPZSXGXOVXFL-LULLPPNCSA-N 1 3 301.478 2.614 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000389849839 323338037 /nfs/dbraw/zinc/33/80/37/323338037.db2.gz UKWYNRNXZZTZJM-MNIJEXPFSA-N 1 3 313.489 2.722 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000389849841 323338423 /nfs/dbraw/zinc/33/84/23/323338423.db2.gz UKWYNRNXZZTZJM-QFMLELGNSA-N 1 3 313.489 2.722 20 0 DFADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000391723561 323346409 /nfs/dbraw/zinc/34/64/09/323346409.db2.gz FBJGETMAVPUDMR-GJZGRUSLSA-N 1 3 319.449 2.603 20 0 DFADHO Cc1c([C@H](C)NCC2CC[NH2+]CC2)nnn1-c1ccc(C)cc1 ZINC000581185025 323487995 /nfs/dbraw/zinc/48/79/95/323487995.db2.gz CWUKEOCORWVJKT-AWEZNQCLSA-N 1 3 313.449 2.534 20 0 DFADHO COC[C@](C)(O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000582527231 323687439 /nfs/dbraw/zinc/68/74/39/323687439.db2.gz UWTDCGNTIUGUKX-GOSISDBHSA-N 1 3 314.514 2.653 20 0 DFADHO CCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cn1 ZINC000367617429 520371859 /nfs/dbraw/zinc/37/18/59/520371859.db2.gz NECVRNCQLGEGHM-GVDBMIGSSA-N 1 3 303.450 2.833 20 0 DFADHO CCC[C@H](N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000364983611 521107148 /nfs/dbraw/zinc/10/71/48/521107148.db2.gz RRRLOWGTTIBLFE-MSOLQXFVSA-N 1 3 317.477 2.627 20 0 DFADHO CCC[C@H](N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000364983611 521107150 /nfs/dbraw/zinc/10/71/50/521107150.db2.gz RRRLOWGTTIBLFE-MSOLQXFVSA-N 1 3 317.477 2.627 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000155607335 521694617 /nfs/dbraw/zinc/69/46/17/521694617.db2.gz XZFRAKGKDARLQQ-NVXWUHKLSA-N 1 3 319.518 2.839 20 0 DFADHO CC[C@@H](C)NC(=O)CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000156497835 522153971 /nfs/dbraw/zinc/15/39/71/522153971.db2.gz SXSYPLBUXBUPMT-OAHLLOKOSA-N 1 3 309.498 2.678 20 0 DFADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000367617320 524086996 /nfs/dbraw/zinc/08/69/96/524086996.db2.gz QIKALVPLUXDERH-OAGGEKHMSA-N 1 3 304.434 2.666 20 0 DFADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000367617320 524086999 /nfs/dbraw/zinc/08/69/99/524086999.db2.gz QIKALVPLUXDERH-OAGGEKHMSA-N 1 3 304.434 2.666 20 0 DFADHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1OC ZINC000367617320 524087002 /nfs/dbraw/zinc/08/70/02/524087002.db2.gz QIKALVPLUXDERH-OAGGEKHMSA-N 1 3 304.434 2.666 20 0 DFADHO Cc1cc(C)n(C[C@H]2CCCCN2CC[C@@H]2CCC[N@H+]2C)n1 ZINC000371205846 524536611 /nfs/dbraw/zinc/53/66/11/524536611.db2.gz VMJJALJREMXLAV-ZWKOTPCHSA-N 1 3 304.482 2.839 20 0 DFADHO Cc1cc(C)n(C[C@H]2CCCCN2CC[C@@H]2CCC[N@@H+]2C)n1 ZINC000371205846 524536617 /nfs/dbraw/zinc/53/66/17/524536617.db2.gz VMJJALJREMXLAV-ZWKOTPCHSA-N 1 3 304.482 2.839 20 0 DFADHO Cc1cc(C)n2c(CNCCCCC[NH+]3CCCC3)cnc2n1 ZINC000339498080 524561842 /nfs/dbraw/zinc/56/18/42/524561842.db2.gz OGPFWTLTWGZZTE-UHFFFAOYSA-N 1 3 315.465 2.702 20 0 DFADHO CC(C)[C@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000293067129 527729938 /nfs/dbraw/zinc/72/99/38/527729938.db2.gz ZJAMPAKLHXHXSK-GOSISDBHSA-N 1 3 305.466 2.637 20 0 DFADHO CC(C)[C@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000293067129 527729944 /nfs/dbraw/zinc/72/99/44/527729944.db2.gz ZJAMPAKLHXHXSK-GOSISDBHSA-N 1 3 305.466 2.637 20 0 DFADHO CC(C)OCCN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310017778 527965701 /nfs/dbraw/zinc/96/57/01/527965701.db2.gz PFBYBKTZSYKSQF-RTBURBONSA-N 1 3 302.462 2.865 20 0 DFADHO CC(C)OCCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310017778 527965708 /nfs/dbraw/zinc/96/57/08/527965708.db2.gz PFBYBKTZSYKSQF-RTBURBONSA-N 1 3 302.462 2.865 20 0 DFADHO CCN(CCC[NH+](CC)CC)C(=O)C[C@H](N)c1ccccc1 ZINC000319157353 528102362 /nfs/dbraw/zinc/10/23/62/528102362.db2.gz HMGPBHZHFVKBAI-KRWDZBQOSA-N 1 3 305.466 2.657 20 0 DFADHO CCOc1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1O ZINC000298159819 528267944 /nfs/dbraw/zinc/26/79/44/528267944.db2.gz SJMKJHCFKNFTDR-KRWDZBQOSA-N 1 3 318.461 2.955 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000294997701 528556233 /nfs/dbraw/zinc/55/62/33/528556233.db2.gz IBLCWWLJNOXMLC-LZLYRXPVSA-N 1 3 317.477 2.544 20 0 DFADHO CC1(C)CCC[C@@]1(O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297430016 528977439 /nfs/dbraw/zinc/97/74/39/528977439.db2.gz NDOWICTUWIASGM-GOSISDBHSA-N 1 3 303.450 2.581 20 0 DFADHO CC1(C)CC[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000294920966 529028594 /nfs/dbraw/zinc/02/85/94/529028594.db2.gz BLQVRXMZPXZMRJ-MSOLQXFVSA-N 1 3 302.462 2.922 20 0 DFADHO CCCC[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236818809 535046411 /nfs/dbraw/zinc/04/64/11/535046411.db2.gz OOWYNHNEXJAVIC-SFHVURJKSA-N 1 3 317.477 2.806 20 0 DFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]2(C)CCCCN2)C1 ZINC000357798202 535819727 /nfs/dbraw/zinc/81/97/27/535819727.db2.gz RFCSKJMOFFVCGJ-QAPCUYQASA-N 1 3 309.498 2.535 20 0 DFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(C)CCCCN2)C1 ZINC000357798202 535819728 /nfs/dbraw/zinc/81/97/28/535819728.db2.gz RFCSKJMOFFVCGJ-QAPCUYQASA-N 1 3 309.498 2.535 20 0 DFADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000262713406 535847324 /nfs/dbraw/zinc/84/73/24/535847324.db2.gz SKDHOPPFXJTJKW-CGTJXYLNSA-N 1 3 317.477 2.622 20 0 DFADHO CN(CCCO)C1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000357910459 536356622 /nfs/dbraw/zinc/35/66/22/536356622.db2.gz VCRJUODPFUWJMS-UHFFFAOYSA-N 1 3 320.477 2.624 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H]1CCc2c1cc(F)cc2F ZINC000680469524 545499984 /nfs/dbraw/zinc/49/99/84/545499984.db2.gz QACZQJLQGLXBSY-KRWDZBQOSA-N 1 3 312.404 2.900 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]C[C@H]2CCC(C)(C)O2)cc1 ZINC000681700589 545702728 /nfs/dbraw/zinc/70/27/28/545702728.db2.gz ZNQUEZMHPOREEA-QGZVFWFLSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)C1CCN(C)CC1 ZINC000682376775 545833027 /nfs/dbraw/zinc/83/30/27/545833027.db2.gz HIDWGWHSJTXXBN-QAPCUYQASA-N 1 3 321.509 2.630 20 0 DFADHO CN1CCC[C@@H]1[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000683848383 546107949 /nfs/dbraw/zinc/10/79/49/546107949.db2.gz OWLVIJZNBBLWQB-IAGOWNOFSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H]1CC(C[NH2+]Cc2ccc(OCCN(C)C)cc2)C[C@H](C)O1 ZINC000684931832 546304605 /nfs/dbraw/zinc/30/46/05/546304605.db2.gz YBRAZXACTXAWAM-HOTGVXAUSA-N 1 3 320.477 2.920 20 0 DFADHO CN(C)CCOc1ccc(CN(C)CCC[NH+]2CCCC2)cc1 ZINC000684966704 546310675 /nfs/dbraw/zinc/31/06/75/546310675.db2.gz NAWOBZVLEZCKHP-UHFFFAOYSA-N 1 3 319.493 2.545 20 0 DFADHO CN1CCN(CC[NH2+]CC(C)(C)c2ccccc2)CC1(C)C ZINC000685042680 546322807 /nfs/dbraw/zinc/32/28/07/546322807.db2.gz MBYYBALIFWTAPZ-UHFFFAOYSA-N 1 3 303.494 2.580 20 0 DFADHO CN1CC[NH+](CC2CCN(C/C=C\c3ccccc3)CC2)CC1 ZINC000685455303 546352070 /nfs/dbraw/zinc/35/20/70/546352070.db2.gz SGUJEHQBCKHDRX-YVMONPNESA-N 1 3 313.489 2.659 20 0 DFADHO C[C@H](Cc1ccsc1)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457667 546353500 /nfs/dbraw/zinc/35/35/00/546353500.db2.gz ITIZIPHRHDRGDR-QAPCUYQASA-N 1 3 321.534 2.779 20 0 DFADHO C[C@H](Cc1ccsc1)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457667 546353503 /nfs/dbraw/zinc/35/35/03/546353503.db2.gz ITIZIPHRHDRGDR-QAPCUYQASA-N 1 3 321.534 2.779 20 0 DFADHO C[NH+](C)CCCCCCC[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000821584412 606214387 /nfs/dbraw/zinc/21/43/87/606214387.db2.gz CCBHSDRVCMVJHZ-UHFFFAOYSA-N 1 3 322.482 2.530 20 0 DFADHO C[NH+](C)CCCCCCC[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000821584412 606214389 /nfs/dbraw/zinc/21/43/89/606214389.db2.gz CCBHSDRVCMVJHZ-UHFFFAOYSA-N 1 3 322.482 2.530 20 0 DFADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000278259915 214053375 /nfs/dbraw/zinc/05/33/75/214053375.db2.gz NRWSITSIVMQYIA-KSZLIROESA-N 1 3 318.461 2.530 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)NC1CCN(C2CC2)CC1 ZINC000076656722 185030299 /nfs/dbraw/zinc/03/02/99/185030299.db2.gz FCJPSSSUVJOFGM-UHFFFAOYSA-N 1 3 309.498 2.632 20 0 DFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000076894056 185050611 /nfs/dbraw/zinc/05/06/11/185050611.db2.gz XXZRVCAWMOFVET-UHFFFAOYSA-N 1 3 317.477 2.790 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)ccn1 ZINC000282017362 282110138 /nfs/dbraw/zinc/11/01/38/282110138.db2.gz DVNBDWNGTWMUID-NUJGCVRESA-N 1 3 303.450 2.690 20 0 DFADHO CCOc1ccc(C[NH2+]CCCN2CCCO[C@H](C)C2)cc1F ZINC000278771418 214390314 /nfs/dbraw/zinc/39/03/14/214390314.db2.gz OVEYCZBKGVVRAT-OAHLLOKOSA-N 1 3 324.440 2.815 20 0 DFADHO CCCCCOc1ccc(CNC2CC[NH+](CCO)CC2)cc1 ZINC000591908857 398350670 /nfs/dbraw/zinc/35/06/70/398350670.db2.gz IGYMAWXRDKRGSQ-UHFFFAOYSA-N 1 3 320.477 2.802 20 0 DFADHO CS[C@H]1CN(c2nccc3[nH]ccc32)C[C@@H]1[NH+]1CCCC1 ZINC000596195876 398354644 /nfs/dbraw/zinc/35/46/44/398354644.db2.gz PIKZRAVIKLHQGJ-GJZGRUSLSA-N 1 3 302.447 2.579 20 0 DFADHO CCN1CCN(Cc2ccccc2C[NH2+]CC(C)(C)C)CC1 ZINC000236886709 398364482 /nfs/dbraw/zinc/36/44/82/398364482.db2.gz JHXKYOXFQRYUAR-UHFFFAOYSA-N 1 3 303.494 2.960 20 0 DFADHO Cc1nn(C)c2ncc(CNCc3cccc(C[NH+](C)C)c3)cc12 ZINC000237073963 398366611 /nfs/dbraw/zinc/36/66/11/398366611.db2.gz WQGLIKFWSWQYFT-UHFFFAOYSA-N 1 3 323.444 2.628 20 0 DFADHO CC(C)C[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038826 185279201 /nfs/dbraw/zinc/27/92/01/185279201.db2.gz WEMOPJFRKQBOBZ-OAHLLOKOSA-N 1 3 305.466 2.502 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1nc2cc(F)ccc2n1C ZINC000090044110 185279459 /nfs/dbraw/zinc/27/94/59/185279459.db2.gz UQBVXXCGUDTLJH-IPYPFGDCSA-N 1 3 318.440 2.573 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1nc2cc(F)ccc2n1C ZINC000090044110 185279460 /nfs/dbraw/zinc/27/94/60/185279460.db2.gz UQBVXXCGUDTLJH-IPYPFGDCSA-N 1 3 318.440 2.573 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC1CCC(F)(F)CC1 ZINC000459374805 299090646 /nfs/dbraw/zinc/09/06/46/299090646.db2.gz YHLRFVXPAHAKET-OAGGEKHMSA-N 1 3 316.436 2.995 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNCc2cnc(C3CC3)nc2)C1 ZINC000459378853 299091662 /nfs/dbraw/zinc/09/16/62/299091662.db2.gz ROKGKQAJAZYRAR-OAHLLOKOSA-N 1 3 302.466 2.956 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cnc(C3CC3)nc2)C1 ZINC000459378853 299091665 /nfs/dbraw/zinc/09/16/65/299091665.db2.gz ROKGKQAJAZYRAR-OAHLLOKOSA-N 1 3 302.466 2.956 20 0 DFADHO Cc1ccc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000092587124 185327331 /nfs/dbraw/zinc/32/73/31/185327331.db2.gz BCYBEIILIAPHJM-HZPDHXFCSA-N 1 3 306.450 2.909 20 0 DFADHO Cc1ncsc1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587505 185327598 /nfs/dbraw/zinc/32/75/98/185327598.db2.gz KEUVKDGPAXRFSM-OKILXGFUSA-N 1 3 323.506 2.773 20 0 DFADHO Cc1ncsc1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587505 185327599 /nfs/dbraw/zinc/32/75/99/185327599.db2.gz KEUVKDGPAXRFSM-OKILXGFUSA-N 1 3 323.506 2.773 20 0 DFADHO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)s1 ZINC000092738768 185337952 /nfs/dbraw/zinc/33/79/52/185337952.db2.gz NCSHMCFOMKZTHY-OCCSQVGLSA-N 1 3 323.506 2.775 20 0 DFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CCn1cccn1 ZINC000092821017 185344015 /nfs/dbraw/zinc/34/40/15/185344015.db2.gz XMFKLPPMWRIOFB-UHFFFAOYSA-N 1 3 313.449 2.517 20 0 DFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CCn1cccn1 ZINC000092821017 185344016 /nfs/dbraw/zinc/34/40/16/185344016.db2.gz XMFKLPPMWRIOFB-UHFFFAOYSA-N 1 3 313.449 2.517 20 0 DFADHO CCOCCN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000181490124 199305167 /nfs/dbraw/zinc/30/51/67/199305167.db2.gz YGLZICHCRQVRNV-UHFFFAOYSA-N 1 3 319.493 2.685 20 0 DFADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000292821700 529811555 /nfs/dbraw/zinc/81/15/55/529811555.db2.gz QBEKSSVIFHHANL-KRWDZBQOSA-N 1 3 310.388 2.858 20 0 DFADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000292821700 529811556 /nfs/dbraw/zinc/81/15/56/529811556.db2.gz QBEKSSVIFHHANL-KRWDZBQOSA-N 1 3 310.388 2.858 20 0 DFADHO CC(C)(C)OC(=O)[C@@H]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000592379373 398419018 /nfs/dbraw/zinc/41/90/18/398419018.db2.gz MNTKZLDTDJXLBL-FXUDXRNXSA-N 1 3 308.466 2.713 20 0 DFADHO CC(C)(C)OC(=O)[C@@H]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000592379373 398419019 /nfs/dbraw/zinc/41/90/19/398419019.db2.gz MNTKZLDTDJXLBL-FXUDXRNXSA-N 1 3 308.466 2.713 20 0 DFADHO COC(=O)c1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)oc1C ZINC000592433595 398425700 /nfs/dbraw/zinc/42/57/00/398425700.db2.gz LIQAUTJDVSTCGJ-CABCVRRESA-N 1 3 320.433 2.586 20 0 DFADHO FC(F)(F)CSCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459448264 299108589 /nfs/dbraw/zinc/10/85/89/299108589.db2.gz XCMUNKRXCCFTSX-UHFFFAOYSA-N 1 3 319.396 2.936 20 0 DFADHO CSc1cc(C[NH2+]C2CCN(c3ccncc3)CC2)ccn1 ZINC000459457004 299111362 /nfs/dbraw/zinc/11/13/62/299111362.db2.gz IAMUYQFMSNHMNI-UHFFFAOYSA-N 1 3 314.458 2.957 20 0 DFADHO C[N@@H+]1CCC[C@]2(CCN(CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292907390 530065466 /nfs/dbraw/zinc/06/54/66/530065466.db2.gz HCGXKACNDSUDJD-IBGZPJMESA-N 1 3 300.446 2.582 20 0 DFADHO C[N@H+]1CCC[C@]2(CCN(CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292907390 530065467 /nfs/dbraw/zinc/06/54/67/530065467.db2.gz HCGXKACNDSUDJD-IBGZPJMESA-N 1 3 300.446 2.582 20 0 DFADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cncc(F)c1 ZINC000459468565 299113703 /nfs/dbraw/zinc/11/37/03/299113703.db2.gz RBPFHYVASWZDEI-CYBMUJFWSA-N 1 3 300.381 2.935 20 0 DFADHO [NH2+]=C(NCc1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000306669016 398509501 /nfs/dbraw/zinc/50/95/01/398509501.db2.gz KRIPTIMNGNFVLP-UHFFFAOYSA-N 1 3 322.456 2.965 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000315626031 398526953 /nfs/dbraw/zinc/52/69/53/398526953.db2.gz TYHXBXLYUMBQJN-UHFFFAOYSA-N 1 3 303.450 2.984 20 0 DFADHO CC(C)[C@@H](CO)[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)C ZINC000459576964 299138828 /nfs/dbraw/zinc/13/88/28/299138828.db2.gz LMFSALNCGYPLEC-MOPGFXCFSA-N 1 3 319.493 2.929 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000320316112 398547556 /nfs/dbraw/zinc/54/75/56/398547556.db2.gz DCAUKGJMYYCUNL-AEFFLSMTSA-N 1 3 317.477 2.575 20 0 DFADHO COCCC[NH+]1CCC(N[C@@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000279744297 215109644 /nfs/dbraw/zinc/10/96/44/215109644.db2.gz PHFJOJVUOVCDNF-QFBILLFUSA-N 1 3 320.477 2.853 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000272581192 210000160 /nfs/dbraw/zinc/00/01/60/210000160.db2.gz QOXDGPQYVLYHDI-GSEOLPGOSA-N 1 3 315.505 2.827 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]C2CCC3(CCCO3)CC2)C[C@H](C)O1 ZINC000364948761 290843918 /nfs/dbraw/zinc/84/39/18/290843918.db2.gz FUEZOLCGXRXNEL-YXWAVELNSA-N 1 3 324.509 2.957 20 0 DFADHO C[C@@H](c1cccc2ccccc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000323624268 398560668 /nfs/dbraw/zinc/56/06/68/398560668.db2.gz OJIPKQXUGAVYME-WMZOPIPTSA-N 1 3 309.457 2.880 20 0 DFADHO CSC1(C[NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CCC1 ZINC000597186110 398584965 /nfs/dbraw/zinc/58/49/65/398584965.db2.gz FJFVUYPTTQUOJF-KRWDZBQOSA-N 1 3 320.502 2.629 20 0 DFADHO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000152408820 186070196 /nfs/dbraw/zinc/07/01/96/186070196.db2.gz RQEUDFLSYXFNCZ-YOEHRIQHSA-N 1 3 316.445 2.983 20 0 DFADHO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000152408820 186070197 /nfs/dbraw/zinc/07/01/97/186070197.db2.gz RQEUDFLSYXFNCZ-YOEHRIQHSA-N 1 3 316.445 2.983 20 0 DFADHO OCc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000093769323 398644856 /nfs/dbraw/zinc/64/48/56/398644856.db2.gz ZTJRIFULETVUMW-UHFFFAOYSA-N 1 3 306.450 2.860 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000274256845 282713466 /nfs/dbraw/zinc/71/34/66/282713466.db2.gz JGFHFELEDRWTMB-SJORKVTESA-N 1 3 302.462 2.615 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cccc(OCCN(C)C)c1 ZINC000188025426 186245773 /nfs/dbraw/zinc/24/57/73/186245773.db2.gz PVHOVTORFXHQLN-FRQCXROJSA-N 1 3 320.477 2.829 20 0 DFADHO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268754005 186379878 /nfs/dbraw/zinc/37/98/78/186379878.db2.gz YVZKTEUGQFDVQA-DFQSSKMNSA-N 1 3 315.505 2.971 20 0 DFADHO COc1cc2c(c(CNCC[C@@H]3CCC[N@H+](C)C3)c1)O[C@H](C)C2 ZINC000459731303 299174967 /nfs/dbraw/zinc/17/49/67/299174967.db2.gz LKFMWKKSRHVBLO-CABCVRRESA-N 1 3 318.461 2.840 20 0 DFADHO COc1cc2c(c(CNCC[C@@H]3CCC[N@@H+](C)C3)c1)O[C@H](C)C2 ZINC000459731303 299174969 /nfs/dbraw/zinc/17/49/69/299174969.db2.gz LKFMWKKSRHVBLO-CABCVRRESA-N 1 3 318.461 2.840 20 0 DFADHO CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000414804644 295821017 /nfs/dbraw/zinc/82/10/17/295821017.db2.gz OSIIFGZTRYAKLJ-ZBFHGGJFSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414823522 295822297 /nfs/dbraw/zinc/82/22/97/295822297.db2.gz DSRGCQSNNDUXHI-SLHHOWHOSA-N 1 3 302.418 2.609 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414829879 295823236 /nfs/dbraw/zinc/82/32/36/295823236.db2.gz BOWVPIVVNKDZIA-WDEREUQCSA-N 1 3 317.246 2.964 20 0 DFADHO COc1ccc([C@@H](CO)CNC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000459750135 299181078 /nfs/dbraw/zinc/18/10/78/299181078.db2.gz NDNHIUUBTPWESD-MRXNPFEDSA-N 1 3 320.477 2.624 20 0 DFADHO COc1ccc([C@@H](CO)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000459750135 299181081 /nfs/dbraw/zinc/18/10/81/299181081.db2.gz NDNHIUUBTPWESD-MRXNPFEDSA-N 1 3 320.477 2.624 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN(C)CC(C)C)C[C@H]1C ZINC000593647341 398665050 /nfs/dbraw/zinc/66/50/50/398665050.db2.gz XPECNBJOPFZKAI-BRWVUGGUSA-N 1 3 312.498 2.922 20 0 DFADHO CCC[C@H](C)NC(=O)[C@@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786279 398674229 /nfs/dbraw/zinc/67/42/29/398674229.db2.gz LZPZEZLZIONIIP-JKSUJKDBSA-N 1 3 311.514 2.732 20 0 DFADHO CCC[C@H](C)NC(=O)[C@@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786279 398674230 /nfs/dbraw/zinc/67/42/30/398674230.db2.gz LZPZEZLZIONIIP-JKSUJKDBSA-N 1 3 311.514 2.732 20 0 DFADHO c1sc(-c2ccccn2)nc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414976018 295843043 /nfs/dbraw/zinc/84/30/43/295843043.db2.gz PJVMZLYFQZDSFE-CYBMUJFWSA-N 1 3 302.447 2.827 20 0 DFADHO CCOc1c(CNCCC[C@@H]2CCC[NH2+]2)c(C)nn1CC(C)C ZINC000414975499 295843057 /nfs/dbraw/zinc/84/30/57/295843057.db2.gz OQKJAMOPEZCLQP-MRXNPFEDSA-N 1 3 322.497 2.868 20 0 DFADHO C(CC1CCN(CCOC[C@@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000122081243 282824040 /nfs/dbraw/zinc/82/40/40/282824040.db2.gz KXMOQBBLKQFQBP-IBGZPJMESA-N 1 3 324.509 2.770 20 0 DFADHO COc1ccc2oc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2c1 ZINC000415014733 295847271 /nfs/dbraw/zinc/84/72/71/295847271.db2.gz XFYPQPPFLWIFRI-DLBZAZTESA-N 1 3 300.402 2.919 20 0 DFADHO COc1ccc(Br)c(CN[C@H](C)CCC[NH3+])c1 ZINC000415025074 295848295 /nfs/dbraw/zinc/84/82/95/295848295.db2.gz QDJGKFBGFOPTHM-SNVBAGLBSA-N 1 3 301.228 2.675 20 0 DFADHO [NH3+]C[C@H]1CC[C@@H](NCc2cc(Br)ccc2F)C1 ZINC000415029138 295848537 /nfs/dbraw/zinc/84/85/37/295848537.db2.gz DIPFABGEGAUDMH-JOYOIKCWSA-N 1 3 301.203 2.805 20 0 DFADHO COc1ccc(Br)c(CN[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415045487 295850733 /nfs/dbraw/zinc/85/07/33/295850733.db2.gz UCPQICIPTSGAQD-JQWIXIFHSA-N 1 3 313.239 2.675 20 0 DFADHO COc1ccc(C(C)(C)CNC[C@]2(C)CC[NH2+]C2)cc1OC ZINC000415078550 295855279 /nfs/dbraw/zinc/85/52/79/295855279.db2.gz IWLMIFUNGXXICO-GOSISDBHSA-N 1 3 306.450 2.571 20 0 DFADHO CC(C)CC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C(C)(C)C ZINC000415082833 295855884 /nfs/dbraw/zinc/85/58/84/295855884.db2.gz MLNORYHBGOZRJW-JKSUJKDBSA-N 1 3 311.514 2.624 20 0 DFADHO CCOc1ccccc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415100477 295857964 /nfs/dbraw/zinc/85/79/64/295857964.db2.gz AKSUYLICRNFXEZ-HKUYNNGSSA-N 1 3 318.461 2.804 20 0 DFADHO Cc1ccc(F)c(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415114543 295859916 /nfs/dbraw/zinc/85/99/16/295859916.db2.gz VLJBFFMFAFGJLA-ZWKOTPCHSA-N 1 3 306.425 2.852 20 0 DFADHO Cc1ccc(F)c(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415114542 295859977 /nfs/dbraw/zinc/85/99/77/295859977.db2.gz VLJBFFMFAFGJLA-ROUUACIJSA-N 1 3 306.425 2.852 20 0 DFADHO OCc1ccc(CNCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000174305834 198317503 /nfs/dbraw/zinc/31/75/03/198317503.db2.gz CBBCMGPBQWNBGI-UHFFFAOYSA-N 1 3 314.429 2.774 20 0 DFADHO COc1ccc(C)cc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415119397 295860675 /nfs/dbraw/zinc/86/06/75/295860675.db2.gz FLVGXWHRYKXZSB-IEBWSBKVSA-N 1 3 318.461 2.722 20 0 DFADHO Cc1ccc(F)c(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415124350 295861513 /nfs/dbraw/zinc/86/15/13/295861513.db2.gz MNWZWHWIEBHVMO-AEFFLSMTSA-N 1 3 306.425 2.852 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000236767602 202000253 /nfs/dbraw/zinc/00/02/53/202000253.db2.gz XIDRIGNKGBXTGQ-YJBOKZPZSA-N 1 3 317.477 2.661 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236767602 202000255 /nfs/dbraw/zinc/00/02/55/202000255.db2.gz XIDRIGNKGBXTGQ-YJBOKZPZSA-N 1 3 317.477 2.661 20 0 DFADHO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000236772238 202001038 /nfs/dbraw/zinc/00/10/38/202001038.db2.gz OJQYBYDLEFJGJC-QAPCUYQASA-N 1 3 317.477 2.559 20 0 DFADHO O=C(C[C@@H]1CC[NH2+]C1)Nc1cccc(CN2CCCCC2)c1 ZINC000130450948 283049800 /nfs/dbraw/zinc/04/98/00/283049800.db2.gz BIVKYLLZRBNLEU-HNNXBMFYSA-N 1 3 301.434 2.611 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000073418224 191314902 /nfs/dbraw/zinc/31/49/02/191314902.db2.gz HACZJQMFBRIUTP-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000073418224 191314905 /nfs/dbraw/zinc/31/49/05/191314905.db2.gz HACZJQMFBRIUTP-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000332658380 235252807 /nfs/dbraw/zinc/25/28/07/235252807.db2.gz NECWOUOKWZYEJV-QGZVFWFLSA-N 1 3 316.449 2.546 20 0 DFADHO CC[NH+]1CCC(CCNC(=O)Nc2cccc(CNC)c2)CC1 ZINC000415942578 295904826 /nfs/dbraw/zinc/90/48/26/295904826.db2.gz JTNSVCMYHTZHJL-UHFFFAOYSA-N 1 3 318.465 2.650 20 0 DFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000081333798 192251881 /nfs/dbraw/zinc/25/18/81/192251881.db2.gz JTIZRBDUBHDXBR-QGZVFWFLSA-N 1 3 317.477 2.552 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000236935776 202080104 /nfs/dbraw/zinc/08/01/04/202080104.db2.gz BDWUREOBVUQZRN-OIISXLGYSA-N 1 3 305.466 2.559 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000236929922 202077755 /nfs/dbraw/zinc/07/77/55/202077755.db2.gz IZELLNBJMADMGN-HOTGVXAUSA-N 1 3 303.450 2.984 20 0 DFADHO CCc1ccc([C@H](CNC(=O)C2([NH3+])CCCCC2)N(C)C)cc1 ZINC000236979788 202106804 /nfs/dbraw/zinc/10/68/04/202106804.db2.gz VLHDYLXKPANXNY-KRWDZBQOSA-N 1 3 317.477 2.630 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000236985904 202108599 /nfs/dbraw/zinc/10/85/99/202108599.db2.gz KKKDJEPTALZLPI-RHSMWYFYSA-N 1 3 305.466 2.516 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236985904 202108603 /nfs/dbraw/zinc/10/86/03/202108603.db2.gz KKKDJEPTALZLPI-RHSMWYFYSA-N 1 3 305.466 2.516 20 0 DFADHO CN(C)Cc1cccc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000075158597 398788703 /nfs/dbraw/zinc/78/87/03/398788703.db2.gz KRTOHCSSABYZBC-GOSISDBHSA-N 1 3 317.477 2.695 20 0 DFADHO CN(C)Cc1cccc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000075158597 398788704 /nfs/dbraw/zinc/78/87/04/398788704.db2.gz KRTOHCSSABYZBC-GOSISDBHSA-N 1 3 317.477 2.695 20 0 DFADHO C[N@H+](CCCNC(=O)C[C@@H](N)c1ccccc1)C1CCCCC1 ZINC000237067982 202141573 /nfs/dbraw/zinc/14/15/73/202141573.db2.gz WKWUEKVVPAQWSN-GOSISDBHSA-N 1 3 317.477 2.847 20 0 DFADHO C[N@@H+](CCCNC(=O)C[C@@H](N)c1ccccc1)C1CCCCC1 ZINC000237067982 202141575 /nfs/dbraw/zinc/14/15/75/202141575.db2.gz WKWUEKVVPAQWSN-GOSISDBHSA-N 1 3 317.477 2.847 20 0 DFADHO CN(C)Cc1cccc(C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000237055651 202137979 /nfs/dbraw/zinc/13/79/79/202137979.db2.gz YPLIGTIKGCTZAR-UHFFFAOYSA-N 1 3 317.477 2.790 20 0 DFADHO CCC[C@H](C)[C@@H]1CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135348868 283216361 /nfs/dbraw/zinc/21/63/61/283216361.db2.gz CYFRDXYDHAQKTE-WMZOPIPTSA-N 1 3 323.525 2.876 20 0 DFADHO C[NH2+]CCCC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000237176619 202176378 /nfs/dbraw/zinc/17/63/78/202176378.db2.gz AJAKKIWIIVBIBZ-HNNXBMFYSA-N 1 3 323.506 2.637 20 0 DFADHO C[C@H](Cn1cccn1)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000138728862 283258236 /nfs/dbraw/zinc/25/82/36/283258236.db2.gz KCECOHMNUZFVJT-SJORKVTESA-N 1 3 300.450 2.772 20 0 DFADHO C[C@H](Cn1cccn1)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000138728862 283258238 /nfs/dbraw/zinc/25/82/38/283258238.db2.gz KCECOHMNUZFVJT-SJORKVTESA-N 1 3 300.450 2.772 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)Cn1cccn1 ZINC000137976231 283255764 /nfs/dbraw/zinc/25/57/64/283255764.db2.gz ZHCWSRHPCWJOOO-INIZCTEOSA-N 1 3 300.450 2.903 20 0 DFADHO CN1CCC[C@H]1CC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000179469859 199041531 /nfs/dbraw/zinc/04/15/31/199041531.db2.gz JLXODDYBRYHDKL-KRWDZBQOSA-N 1 3 306.425 2.905 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(CC(C)C)C2)[C@H]1C ZINC000354571137 291121550 /nfs/dbraw/zinc/12/15/50/291121550.db2.gz LKHLSAAWQKCDCV-XSLAGTTESA-N 1 3 324.509 2.922 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)OC)CC1 ZINC000152315617 283317870 /nfs/dbraw/zinc/31/78/70/283317870.db2.gz WDEVYQVCIBILGQ-UHFFFAOYSA-N 1 3 319.493 2.733 20 0 DFADHO C[C@@H](CNC(=O)[C@@H](N)CC1CCCCC1)C[NH+]1CCCCC1 ZINC000318720909 295962886 /nfs/dbraw/zinc/96/28/86/295962886.db2.gz HHAVBENMJLYJRI-RDJZCZTQSA-N 1 3 309.498 2.522 20 0 DFADHO CC[C@H](C(=O)NCC1([NH+](C)C)CCCCCC1)N(CC)CC ZINC000468144948 299277123 /nfs/dbraw/zinc/27/71/23/299277123.db2.gz CSMDJUOKJNZRKG-MRXNPFEDSA-N 1 3 311.514 2.878 20 0 DFADHO CC[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccccc1F ZINC000180712303 199199816 /nfs/dbraw/zinc/19/98/16/199199816.db2.gz HUSKSVQUVGBMQJ-SFHVURJKSA-N 1 3 307.457 2.892 20 0 DFADHO C[C@H]1C[C@H]([NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)CCN1C ZINC000186878326 291146088 /nfs/dbraw/zinc/14/60/88/291146088.db2.gz WXGHQJMIFOEYKC-DBVUQKKJSA-N 1 3 315.505 2.969 20 0 DFADHO CO[C@H](C)C[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000188109827 200195254 /nfs/dbraw/zinc/19/52/54/200195254.db2.gz NMUYFVYVFBWATI-BVBHFADKSA-N 1 3 302.462 2.912 20 0 DFADHO N[C@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000237837919 202367065 /nfs/dbraw/zinc/36/70/65/202367065.db2.gz MNERGXUIQCEPTI-ZWKOTPCHSA-N 1 3 315.461 2.553 20 0 DFADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCn1cccn1 ZINC000471835193 299309399 /nfs/dbraw/zinc/30/93/99/299309399.db2.gz UTUCBEBWTZCZPY-OALUTQOASA-N 1 3 312.461 2.555 20 0 DFADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCn1cccn1 ZINC000471835193 299309403 /nfs/dbraw/zinc/30/94/03/299309403.db2.gz UTUCBEBWTZCZPY-OALUTQOASA-N 1 3 312.461 2.555 20 0 DFADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1CCn1cccn1 ZINC000471835193 299309407 /nfs/dbraw/zinc/30/94/07/299309407.db2.gz UTUCBEBWTZCZPY-OALUTQOASA-N 1 3 312.461 2.555 20 0 DFADHO COc1cccc2cc([C@@H](C)[NH2+]CC3(O)CCN(C)CC3)oc21 ZINC000271898451 209306613 /nfs/dbraw/zinc/30/66/13/209306613.db2.gz UWMCZZZCAMUYDR-CYBMUJFWSA-N 1 3 318.417 2.549 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)NCC2=CCN(C)CC2)cc1 ZINC000271892312 209300803 /nfs/dbraw/zinc/30/08/03/209300803.db2.gz ORLORNKMERZAHZ-UHFFFAOYSA-N 1 3 315.461 2.520 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3c(c2)ncn3C)[C@@H](C)C1 ZINC000271882572 209292304 /nfs/dbraw/zinc/29/23/04/209292304.db2.gz VMLKWHQZMUEKPZ-WMLDXEAASA-N 1 3 300.450 2.735 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3c(c2)ncn3C)[C@@H](C)C1 ZINC000271882572 209292308 /nfs/dbraw/zinc/29/23/08/209292308.db2.gz VMLKWHQZMUEKPZ-WMLDXEAASA-N 1 3 300.450 2.735 20 0 DFADHO COC(=O)c1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056524298 398978109 /nfs/dbraw/zinc/97/81/09/398978109.db2.gz WVGKOKICOXPKHU-UHFFFAOYSA-N 1 3 304.434 2.637 20 0 DFADHO COc1ccc(CNCC2=CC[N@H+](C)CC2)c(OC(F)F)c1 ZINC000271868209 209281875 /nfs/dbraw/zinc/28/18/75/209281875.db2.gz WTYXYBRCVYZWRM-UHFFFAOYSA-N 1 3 312.360 2.648 20 0 DFADHO COc1ccc(CNCC2=CC[N@@H+](C)CC2)c(OC(F)F)c1 ZINC000271868209 209281877 /nfs/dbraw/zinc/28/18/77/209281877.db2.gz WTYXYBRCVYZWRM-UHFFFAOYSA-N 1 3 312.360 2.648 20 0 DFADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000417783757 296050564 /nfs/dbraw/zinc/05/05/64/296050564.db2.gz ACBCRQLGFXQQHR-IRXDYDNUSA-N 1 3 317.477 2.704 20 0 DFADHO COC(=O)C(C)(C)CCNCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000474620037 299337884 /nfs/dbraw/zinc/33/78/84/299337884.db2.gz ZIZWRANIEZIFFN-GJZGRUSLSA-N 1 3 312.498 2.922 20 0 DFADHO COC(=O)C(C)(C)CCNC1CC[NH+](CC2CCCC2)CC1 ZINC000474604257 299337801 /nfs/dbraw/zinc/33/78/01/299337801.db2.gz OSKFSPSGUCOWAV-UHFFFAOYSA-N 1 3 310.482 2.820 20 0 DFADHO COC(=O)C(C)(C)CC[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000474604257 299337804 /nfs/dbraw/zinc/33/78/04/299337804.db2.gz OSKFSPSGUCOWAV-UHFFFAOYSA-N 1 3 310.482 2.820 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1=CCN(C)CC1 ZINC000271833230 209253337 /nfs/dbraw/zinc/25/33/37/209253337.db2.gz FEYSDCBWFJMYAB-QGZVFWFLSA-N 1 3 318.461 2.876 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621650655 399009254 /nfs/dbraw/zinc/00/92/54/399009254.db2.gz AJDOTUQOTUJUQA-OAHLLOKOSA-N 1 3 303.450 2.775 20 0 DFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000605397967 399016935 /nfs/dbraw/zinc/01/69/35/399016935.db2.gz GOIZFKQYKQKOAU-MRXNPFEDSA-N 1 3 318.465 2.744 20 0 DFADHO Cc1ccc([C@H]([NH2+]CC2(O)CCN(C)CC2)C2CCC2)cc1 ZINC000275375868 212298289 /nfs/dbraw/zinc/29/82/89/212298289.db2.gz WQBYMWHHVZPGOR-GOSISDBHSA-N 1 3 302.462 2.883 20 0 DFADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418359736 296088243 /nfs/dbraw/zinc/08/82/43/296088243.db2.gz SHBMJFPKMLNVCQ-IRXDYDNUSA-N 1 3 320.481 2.627 20 0 DFADHO CCOc1cncc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000621727656 399051177 /nfs/dbraw/zinc/05/11/77/399051177.db2.gz LOUCZVWNOMPRCT-QGZVFWFLSA-N 1 3 303.450 2.644 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000268969073 283939132 /nfs/dbraw/zinc/93/91/32/283939132.db2.gz HVCNEEMRZKBMDN-DLBZAZTESA-N 1 3 306.425 2.508 20 0 DFADHO CC[C@@H](C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)OC ZINC000419218957 296128462 /nfs/dbraw/zinc/12/84/62/296128462.db2.gz SIGDXRYYBBXIHQ-JZXOWHBKSA-N 1 3 312.498 2.623 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000261725361 203104186 /nfs/dbraw/zinc/10/41/86/203104186.db2.gz MJDGFTRENPEDNT-QAPCUYQASA-N 1 3 317.477 2.654 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000261880079 203142236 /nfs/dbraw/zinc/14/22/36/203142236.db2.gz RTCPRLWFTZRQEM-CVEARBPZSA-N 1 3 317.477 2.622 20 0 DFADHO Cc1ncc(CN(C)CC2CC[NH+](C)CC2)n1-c1ccccc1 ZINC000093088966 193201825 /nfs/dbraw/zinc/20/18/25/193201825.db2.gz MHTBMLVMLYIPOG-UHFFFAOYSA-N 1 3 312.461 2.954 20 0 DFADHO CCC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262165845 203215679 /nfs/dbraw/zinc/21/56/79/203215679.db2.gz WCZYGMDGVACBEH-WMLDXEAASA-N 1 3 303.450 2.984 20 0 DFADHO CCC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262165845 203215684 /nfs/dbraw/zinc/21/56/84/203215684.db2.gz WCZYGMDGVACBEH-WMLDXEAASA-N 1 3 303.450 2.984 20 0 DFADHO NC1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCCCC1 ZINC000262265032 203243900 /nfs/dbraw/zinc/24/39/00/203243900.db2.gz VGWBATVFCPOOOL-UHFFFAOYSA-N 1 3 315.461 2.560 20 0 DFADHO C[N@@H+]1CC[C@@H](NCCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340200976 284160258 /nfs/dbraw/zinc/16/02/58/284160258.db2.gz HGAHRNKVXYBBRJ-HUUCEWRRSA-N 1 3 316.367 2.990 20 0 DFADHO C[N@H+]1CC[C@@H](NCCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340200976 284160262 /nfs/dbraw/zinc/16/02/62/284160262.db2.gz HGAHRNKVXYBBRJ-HUUCEWRRSA-N 1 3 316.367 2.990 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2cccc(O)c2)CC1 ZINC000093769461 193303297 /nfs/dbraw/zinc/30/32/97/193303297.db2.gz KVDLJPFDVMDIJJ-UHFFFAOYSA-N 1 3 320.477 2.963 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cccc(O)c2)CC1 ZINC000093769461 193303298 /nfs/dbraw/zinc/30/32/98/193303298.db2.gz KVDLJPFDVMDIJJ-UHFFFAOYSA-N 1 3 320.477 2.963 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000093660153 193285476 /nfs/dbraw/zinc/28/54/76/193285476.db2.gz CAALWVJBPFGKJH-QGZVFWFLSA-N 1 3 313.449 2.574 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000093660153 193285478 /nfs/dbraw/zinc/28/54/78/193285478.db2.gz CAALWVJBPFGKJH-QGZVFWFLSA-N 1 3 313.449 2.574 20 0 DFADHO CSc1ccc([C@H](C[NH2+][C@H]2CCN(C)C[C@@H]2C)N(C)C)cc1 ZINC000340530707 284189449 /nfs/dbraw/zinc/18/94/49/284189449.db2.gz GDQIDPGKYVXMJO-WBAXXEDZSA-N 1 3 321.534 2.941 20 0 DFADHO CSc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000340530707 284189451 /nfs/dbraw/zinc/18/94/51/284189451.db2.gz GDQIDPGKYVXMJO-WBAXXEDZSA-N 1 3 321.534 2.941 20 0 DFADHO CSc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000340530707 284189456 /nfs/dbraw/zinc/18/94/56/284189456.db2.gz GDQIDPGKYVXMJO-WBAXXEDZSA-N 1 3 321.534 2.941 20 0 DFADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](Cn2cccn2)C(C)C)C1 ZINC000340523626 284188047 /nfs/dbraw/zinc/18/80/47/284188047.db2.gz GZPQPGFFXVLUCS-ROUUACIJSA-N 1 3 306.498 2.865 20 0 DFADHO CCOc1cc2nccc(N3CC[NH2+]C[C@H]3C)c2cc1OCC ZINC000420178427 296160557 /nfs/dbraw/zinc/16/05/57/296160557.db2.gz UKAAFCDOXOGVKX-CYBMUJFWSA-N 1 3 315.417 2.830 20 0 DFADHO CCOc1cc2nccc(N3CC[C@H]([NH3+])C3)c2cc1OCC ZINC000420167821 296160178 /nfs/dbraw/zinc/16/01/78/296160178.db2.gz JQPDFALUXGEMBK-LBPRGKRZSA-N 1 3 301.390 2.570 20 0 DFADHO CCCc1ccc2nccc(N3CC[C@@H](N4CC[NH2+]CC4)C3)c2c1 ZINC000420248366 296165725 /nfs/dbraw/zinc/16/57/25/296165725.db2.gz IBXQBGQEVZZRLW-QGZVFWFLSA-N 1 3 324.472 2.671 20 0 DFADHO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000264894106 204246206 /nfs/dbraw/zinc/24/62/06/204246206.db2.gz KLLMQLQVCRXYMO-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420299287 296171245 /nfs/dbraw/zinc/17/12/45/296171245.db2.gz IRJOCBSCDZRXSB-FIRPJDEBSA-N 1 3 324.468 2.795 20 0 DFADHO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420299287 296171246 /nfs/dbraw/zinc/17/12/46/296171246.db2.gz IRJOCBSCDZRXSB-FIRPJDEBSA-N 1 3 324.468 2.795 20 0 DFADHO Cc1cccc([C@@H]2CCCCC[N@@H+]2CCN2CCNCC2)c1 ZINC000420296126 296170942 /nfs/dbraw/zinc/17/09/42/296170942.db2.gz DDERZMFEDCGNLI-IBGZPJMESA-N 1 3 301.478 2.817 20 0 DFADHO Cc1cccc([C@@H]2CCCCC[N@H+]2CCN2CCNCC2)c1 ZINC000420296126 296170943 /nfs/dbraw/zinc/17/09/43/296170943.db2.gz DDERZMFEDCGNLI-IBGZPJMESA-N 1 3 301.478 2.817 20 0 DFADHO C[NH2+]CC1CCN(CCOc2ccc(Cl)c(F)c2)CC1 ZINC000420296726 296171049 /nfs/dbraw/zinc/17/10/49/296171049.db2.gz QSOVOYWYVYRZTA-UHFFFAOYSA-N 1 3 300.805 2.789 20 0 DFADHO c1nn(-c2ccccc2)c2c1CN(CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420303892 296172066 /nfs/dbraw/zinc/17/20/66/296172066.db2.gz NWAVJGNBVFBDAL-INIZCTEOSA-N 1 3 310.445 2.620 20 0 DFADHO C[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420304954 296172231 /nfs/dbraw/zinc/17/22/31/296172231.db2.gz PADWFBDTUXHBEX-YSSFQJQWSA-N 1 3 310.441 2.537 20 0 DFADHO C[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420304954 296172233 /nfs/dbraw/zinc/17/22/33/296172233.db2.gz PADWFBDTUXHBEX-YSSFQJQWSA-N 1 3 310.441 2.537 20 0 DFADHO CN(CC[C@H]1CCC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000420306656 296172604 /nfs/dbraw/zinc/17/26/04/296172604.db2.gz QUJCVHRCIQIOBC-AEFFLSMTSA-N 1 3 315.461 2.504 20 0 DFADHO Cc1ccccc1CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420310015 296173098 /nfs/dbraw/zinc/17/30/98/296173098.db2.gz USDFIGRDQNFHMS-GOSISDBHSA-N 1 3 301.478 2.502 20 0 DFADHO O=C(c1ccc(F)cc1)[C@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420312287 296173384 /nfs/dbraw/zinc/17/33/84/296173384.db2.gz WQNDRNWJNBBYAF-HOCLYGCPSA-N 1 3 304.409 2.720 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCOc3ccc(Cl)c(F)c3)C[C@@H]21 ZINC000420313482 296173709 /nfs/dbraw/zinc/17/37/09/296173709.db2.gz UCEFFYLGBFHJGJ-DETPVDSQSA-N 1 3 312.816 2.917 20 0 DFADHO CCc1ccc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)s1 ZINC000420313953 296173910 /nfs/dbraw/zinc/17/39/10/296173910.db2.gz JNISTPQZWGOZOK-MRXNPFEDSA-N 1 3 321.534 2.818 20 0 DFADHO Fc1cccc([C@H]2CNCCN2CCC[NH+]2CCCCC2)c1 ZINC000420318359 296174647 /nfs/dbraw/zinc/17/46/47/296174647.db2.gz VWXXNPCZHKKVML-GOSISDBHSA-N 1 3 305.441 2.648 20 0 DFADHO COC(=O)c1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c(C)s1 ZINC000420316295 296174028 /nfs/dbraw/zinc/17/40/28/296174028.db2.gz NEZHLBPHNRUUGI-AWEZNQCLSA-N 1 3 322.474 2.665 20 0 DFADHO CCOC(=O)CCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420316442 296174204 /nfs/dbraw/zinc/17/42/04/296174204.db2.gz SSARTGVVZBKBNS-HNNXBMFYSA-N 1 3 322.474 2.645 20 0 DFADHO CSc1ccccc1CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420327165 296175549 /nfs/dbraw/zinc/17/55/49/296175549.db2.gz KUNJTINVGIEVEE-HNNXBMFYSA-N 1 3 306.475 2.596 20 0 DFADHO Cc1ccc(C)c(OCCN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000420331410 296176442 /nfs/dbraw/zinc/17/64/42/296176442.db2.gz QTHPKTRMRFIVQN-MJGOQNOKSA-N 1 3 318.461 2.510 20 0 DFADHO Cc1ccc(C)c(NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420339036 296177390 /nfs/dbraw/zinc/17/73/90/296177390.db2.gz LOJRAVKFPJEMQI-DLBZAZTESA-N 1 3 315.461 2.563 20 0 DFADHO CN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000282523409 217060184 /nfs/dbraw/zinc/06/01/84/217060184.db2.gz UTMZDIHVAOVBEQ-IBGZPJMESA-N 1 3 315.505 2.971 20 0 DFADHO Cc1c[nH+]ccc1NCc1ccccc1CN1CCC(O)CC1 ZINC000191981418 399173341 /nfs/dbraw/zinc/17/33/41/399173341.db2.gz WPAIIYTXDNWYDG-UHFFFAOYSA-N 1 3 311.429 2.959 20 0 DFADHO C[C@H]([NH3+])CCN[C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000622045672 399174531 /nfs/dbraw/zinc/17/45/31/399174531.db2.gz LWLVFABWVODZAJ-QWRGUYRKSA-N 1 3 317.355 2.749 20 0 DFADHO C[C@@H](Cc1cccc(Cl)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000282617799 217128963 /nfs/dbraw/zinc/12/89/63/217128963.db2.gz JFWDZBRSIZLXJE-YOEHRIQHSA-N 1 3 310.869 2.707 20 0 DFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCCCC(F)(F)F)CC1 ZINC000420379266 296183172 /nfs/dbraw/zinc/18/31/72/296183172.db2.gz MZBKZQKVSZIRGW-KGLIPLIRSA-N 1 3 308.388 2.937 20 0 DFADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420382949 296183916 /nfs/dbraw/zinc/18/39/16/296183916.db2.gz QADNZUMEUUAYHP-XGXHKWSGSA-N 1 3 324.509 2.800 20 0 DFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOC2CCCCCC2)CC1 ZINC000420384003 296184124 /nfs/dbraw/zinc/18/41/24/296184124.db2.gz RBUOVWXFIQFHOB-MOPGFXCFSA-N 1 3 324.509 2.944 20 0 DFADHO C[C@@H]1CCN(CCCc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000420385237 296184440 /nfs/dbraw/zinc/18/44/40/296184440.db2.gz SPSRTVKPQJXXFF-ZBFHGGJFSA-N 1 3 314.433 2.586 20 0 DFADHO Cn1cnc2cc(CN3CCC(CC[NH+](C)C)CC3)ccc21 ZINC000271704070 209141385 /nfs/dbraw/zinc/14/13/85/209141385.db2.gz DTPGFMVBRGKZBR-UHFFFAOYSA-N 1 3 300.450 2.737 20 0 DFADHO Cn1cc(-c2ccc(C[N@@H+](C)C[C@@H]3CCN(C)C3)s2)cn1 ZINC000282756643 217228506 /nfs/dbraw/zinc/22/85/06/217228506.db2.gz HREPIGPKUZNOJQ-CYBMUJFWSA-N 1 3 304.463 2.532 20 0 DFADHO Cn1cc(-c2ccc(C[N@H+](C)C[C@@H]3CCN(C)C3)s2)cn1 ZINC000282756643 217228507 /nfs/dbraw/zinc/22/85/07/217228507.db2.gz HREPIGPKUZNOJQ-CYBMUJFWSA-N 1 3 304.463 2.532 20 0 DFADHO COCc1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000608057188 399228763 /nfs/dbraw/zinc/22/87/63/399228763.db2.gz YTMHBNMGVVFPAK-IBGZPJMESA-N 1 3 318.461 2.566 20 0 DFADHO COc1ccc([C@@H](C)C[NH+]2CCC(OCCN(C)C)CC2)cc1 ZINC000342950768 284447278 /nfs/dbraw/zinc/44/72/78/284447278.db2.gz JECMZGLGEQGLSL-INIZCTEOSA-N 1 3 320.477 2.841 20 0 DFADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1(C)C ZINC000421346482 296246296 /nfs/dbraw/zinc/24/62/96/296246296.db2.gz YXRFCNWNAMPKMC-KBRIMQKVSA-N 1 3 303.450 2.700 20 0 DFADHO C[NH+](C)C1CCC(NCc2cccc3c2OC(F)(F)O3)CC1 ZINC000421374087 296250065 /nfs/dbraw/zinc/25/00/65/296250065.db2.gz NGYVXEXDWHSLOX-UHFFFAOYSA-N 1 3 312.360 2.971 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2cccc(C3CC3)c2)CC1 ZINC000421371455 296249769 /nfs/dbraw/zinc/24/97/69/296249769.db2.gz XVPCQUKSWQHXJO-UHFFFAOYSA-N 1 3 302.462 2.889 20 0 DFADHO CN(C)CCN(C)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000623088339 399324791 /nfs/dbraw/zinc/32/47/91/399324791.db2.gz HGAOQCXZCCOQHM-UHFFFAOYSA-N 1 3 317.399 2.679 20 0 DFADHO Clc1ccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000051919407 425883401 /nfs/dbraw/zinc/88/34/01/425883401.db2.gz LKJKGTCRWKXMAS-OAHLLOKOSA-N 1 3 307.869 2.852 20 0 DFADHO CC(C)c1ncc2c(n1)CCN(CCCC1CC[NH2+]CC1)C2 ZINC000623232416 399343661 /nfs/dbraw/zinc/34/36/61/399343661.db2.gz JEVUVEBBQLWISW-UHFFFAOYSA-N 1 3 302.466 2.738 20 0 DFADHO COc1cccc(CCN[C@H]2CC[N@H+](C)C(C)(C)C2)c1OC ZINC000623362693 399373221 /nfs/dbraw/zinc/37/32/21/399373221.db2.gz FOWHENUNEWJKDF-HNNXBMFYSA-N 1 3 306.450 2.709 20 0 DFADHO COc1cccc(CCN[C@H]2CC[N@@H+](C)C(C)(C)C2)c1OC ZINC000623362693 399373224 /nfs/dbraw/zinc/37/32/24/399373224.db2.gz FOWHENUNEWJKDF-HNNXBMFYSA-N 1 3 306.450 2.709 20 0 DFADHO C[N@@H+]1CC[C@H](NCCN2CCc3sccc3C2)CC1(C)C ZINC000623372423 399373967 /nfs/dbraw/zinc/37/39/67/399373967.db2.gz ULTZVWCFTAZYJI-HNNXBMFYSA-N 1 3 307.507 2.569 20 0 DFADHO C[N@H+]1CC[C@H](NCCN2CCc3sccc3C2)CC1(C)C ZINC000623372423 399373971 /nfs/dbraw/zinc/37/39/71/399373971.db2.gz ULTZVWCFTAZYJI-HNNXBMFYSA-N 1 3 307.507 2.569 20 0 DFADHO CC[NH+]1CCC(CNCc2ccc(F)c(F)c2N(C)C)CC1 ZINC000623403356 399381384 /nfs/dbraw/zinc/38/13/84/399381384.db2.gz SMPVDEGKHBXECF-UHFFFAOYSA-N 1 3 311.420 2.852 20 0 DFADHO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623430923 399388295 /nfs/dbraw/zinc/38/82/95/399388295.db2.gz LOBDWBYURDKNGR-XJKSGUPXSA-N 1 3 304.434 2.981 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623432832 399388924 /nfs/dbraw/zinc/38/89/24/399388924.db2.gz LTFDXXHOHJRENE-CABCVRRESA-N 1 3 306.450 2.925 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623432832 399388927 /nfs/dbraw/zinc/38/89/27/399388927.db2.gz LTFDXXHOHJRENE-CABCVRRESA-N 1 3 306.450 2.925 20 0 DFADHO CN1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000268837556 207002806 /nfs/dbraw/zinc/00/28/06/207002806.db2.gz BVPRTFTZNXWPHB-UXHICEINSA-N 1 3 315.505 2.940 20 0 DFADHO CN1CCCN(CCC[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000268837555 207003474 /nfs/dbraw/zinc/00/34/74/207003474.db2.gz BVPRTFTZNXWPHB-PMACEKPBSA-N 1 3 315.505 2.940 20 0 DFADHO COCC[N@H+](C)CCCN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000268853991 207021526 /nfs/dbraw/zinc/02/15/26/207021526.db2.gz XDORPDRIXGNAKC-OAHLLOKOSA-N 1 3 324.465 2.631 20 0 DFADHO COCC[N@@H+](C)CCCN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000268853991 207021532 /nfs/dbraw/zinc/02/15/32/207021532.db2.gz XDORPDRIXGNAKC-OAHLLOKOSA-N 1 3 324.465 2.631 20 0 DFADHO CCC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OC)cc1 ZINC000268858259 207026161 /nfs/dbraw/zinc/02/61/61/207026161.db2.gz RNVAXRBJDNAPAI-FUHWJXTLSA-N 1 3 306.450 2.583 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2nc3c(cccc3C)o2)[C@H](C)C1 ZINC000268880112 207051461 /nfs/dbraw/zinc/05/14/61/207051461.db2.gz AVTXGMAJRMSZNU-HUUCEWRRSA-N 1 3 301.434 2.999 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2nc3c(cccc3C)o2)[C@H](C)C1 ZINC000268880112 207051465 /nfs/dbraw/zinc/05/14/65/207051465.db2.gz AVTXGMAJRMSZNU-HUUCEWRRSA-N 1 3 301.434 2.999 20 0 DFADHO CC[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc2c(c1)CCO2 ZINC000268882353 207053375 /nfs/dbraw/zinc/05/33/75/207053375.db2.gz YDDKFFWWBKSZIA-SFHVURJKSA-N 1 3 318.461 2.509 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623493625 399401287 /nfs/dbraw/zinc/40/12/87/399401287.db2.gz LWLRJFCVDHNIGW-BHIYHBOVSA-N 1 3 315.505 2.969 20 0 DFADHO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000268889783 207059366 /nfs/dbraw/zinc/05/93/66/207059366.db2.gz ZXYGDIOEWUMPQL-NVXWUHKLSA-N 1 3 306.450 2.581 20 0 DFADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422709775 296319663 /nfs/dbraw/zinc/31/96/63/296319663.db2.gz FBGBEHRQFQJEBT-NXWXRZEISA-N 1 3 302.462 2.927 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NCC[N@H+](C)C1CCCCC1 ZINC000422706453 296319192 /nfs/dbraw/zinc/31/91/92/296319192.db2.gz UJIPQLHEUALPBA-CQSZACIVSA-N 1 3 304.482 2.764 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NCC[N@@H+](C)C1CCCCC1 ZINC000422706453 296319193 /nfs/dbraw/zinc/31/91/93/296319193.db2.gz UJIPQLHEUALPBA-CQSZACIVSA-N 1 3 304.482 2.764 20 0 DFADHO COc1ccccc1[C@H](CN[C@@H](C)C[C@H](C)[NH3+])N1CCCCC1 ZINC000422709299 296319808 /nfs/dbraw/zinc/31/98/08/296319808.db2.gz KIBXIXCPUVAJQN-BQFCYCMXSA-N 1 3 319.493 2.938 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)N1CCc2sccc2C1 ZINC000422709119 296319906 /nfs/dbraw/zinc/31/99/06/296319906.db2.gz CUGLOVJQAQAQHI-IIAWOOMASA-N 1 3 307.507 2.602 20 0 DFADHO C[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])N1CCc2sccc2C1 ZINC000422709119 296319907 /nfs/dbraw/zinc/31/99/07/296319907.db2.gz CUGLOVJQAQAQHI-IIAWOOMASA-N 1 3 307.507 2.602 20 0 DFADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422717950 296320935 /nfs/dbraw/zinc/32/09/35/296320935.db2.gz KXEOOUDECDEVKI-KGLIPLIRSA-N 1 3 324.350 2.861 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000422715560 296320580 /nfs/dbraw/zinc/32/05/80/296320580.db2.gz SGCDZMNHCACKBO-WOSRLPQWSA-N 1 3 310.869 2.960 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC(C)(C)c1ccccc1Cl ZINC000422715560 296320582 /nfs/dbraw/zinc/32/05/82/296320582.db2.gz SGCDZMNHCACKBO-WOSRLPQWSA-N 1 3 310.869 2.960 20 0 DFADHO Cc1[nH]c2ccc(CN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])cc2c1C ZINC000422721794 296321296 /nfs/dbraw/zinc/32/12/96/296321296.db2.gz OIXZHEMROUWYJD-AFAVFJNCSA-N 1 3 301.434 2.627 20 0 DFADHO CCOc1cc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c(F)cc1OC ZINC000623560776 399416181 /nfs/dbraw/zinc/41/61/81/399416181.db2.gz RPNKGVSDAKSVJI-XBXGTLAGSA-N 1 3 310.413 2.663 20 0 DFADHO C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CCCCN1 ZINC000422725024 296322131 /nfs/dbraw/zinc/32/21/31/296322131.db2.gz XIGIDLOJJXVVEY-HNAYVOBHSA-N 1 3 319.468 2.910 20 0 DFADHO C[C@H](NC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422725024 296322132 /nfs/dbraw/zinc/32/21/32/296322132.db2.gz XIGIDLOJJXVVEY-HNAYVOBHSA-N 1 3 319.468 2.910 20 0 DFADHO C[C@H](N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C)C1C[NH2+]C1 ZINC000422725377 296322170 /nfs/dbraw/zinc/32/21/70/296322170.db2.gz BFEBMHKJFMPCRT-KXBFYZLASA-N 1 3 315.505 2.657 20 0 DFADHO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1cnccc1N ZINC000422727224 296322454 /nfs/dbraw/zinc/32/24/54/296322454.db2.gz BUOVKJDRGYVNCP-HNAYVOBHSA-N 1 3 310.445 2.982 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+](C)Cc1cccc2nsnc21 ZINC000268985593 207145168 /nfs/dbraw/zinc/14/51/68/207145168.db2.gz FOGUISQLLIOVJA-AWEZNQCLSA-N 1 3 304.463 2.998 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+](C)Cc1cccc2nsnc21 ZINC000268985593 207145172 /nfs/dbraw/zinc/14/51/72/207145172.db2.gz FOGUISQLLIOVJA-AWEZNQCLSA-N 1 3 304.463 2.998 20 0 DFADHO O[C@H]1CCC[C@@H]1[NH+]1CCC(NCc2cccc3[nH]ccc32)CC1 ZINC000268988910 207146091 /nfs/dbraw/zinc/14/60/91/207146091.db2.gz UWJVNLSEZFMZTH-OALUTQOASA-N 1 3 313.445 2.635 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1(C(=O)N(C)C)CCCC1 ZINC000422730590 296323060 /nfs/dbraw/zinc/32/30/60/296323060.db2.gz MFPLCUHMLAPTOE-JKSUJKDBSA-N 1 3 309.498 2.535 20 0 DFADHO CO[C@@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C(C)C ZINC000268998664 207155578 /nfs/dbraw/zinc/15/55/78/207155578.db2.gz UFZJTXFLIDEEFR-QAPCUYQASA-N 1 3 308.466 2.949 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623655642 399437302 /nfs/dbraw/zinc/43/73/02/399437302.db2.gz AZOAMXRMCGLOAM-HOTGVXAUSA-N 1 3 303.450 2.725 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623655642 399437305 /nfs/dbraw/zinc/43/73/05/399437305.db2.gz AZOAMXRMCGLOAM-HOTGVXAUSA-N 1 3 303.450 2.725 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655642 399437308 /nfs/dbraw/zinc/43/73/08/399437308.db2.gz AZOAMXRMCGLOAM-HOTGVXAUSA-N 1 3 303.450 2.725 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)CC2 ZINC000623657687 399438102 /nfs/dbraw/zinc/43/81/02/399438102.db2.gz WPCHTLDFWBTIOH-MAUKXSAKSA-N 1 3 302.462 2.874 20 0 DFADHO CN1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000623657678 399438203 /nfs/dbraw/zinc/43/82/03/399438203.db2.gz WMCOLNUQDKFWIH-CYBMUJFWSA-N 1 3 304.463 2.960 20 0 DFADHO COC(=O)C(C)(C)[C@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000611322981 399462211 /nfs/dbraw/zinc/46/22/11/399462211.db2.gz ILVCBTGNVQPSPZ-JKSUJKDBSA-N 1 3 310.482 2.772 20 0 DFADHO COC(=O)C(C)(C)[C@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000611322981 399462214 /nfs/dbraw/zinc/46/22/14/399462214.db2.gz ILVCBTGNVQPSPZ-JKSUJKDBSA-N 1 3 310.482 2.772 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000269138760 207269739 /nfs/dbraw/zinc/26/97/39/207269739.db2.gz YQOYSQAYSABZDX-RTBURBONSA-N 1 3 302.462 2.916 20 0 DFADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCC[C@H](C)C2)[nH]c1C ZINC000602513294 399464606 /nfs/dbraw/zinc/46/46/06/399464606.db2.gz FRIIEQZCELHOLM-AWEZNQCLSA-N 1 3 321.465 2.711 20 0 DFADHO COC(=O)c1cc(CNCCCC[N@H+]2CCC[C@H](C)C2)[nH]c1C ZINC000602513294 399464610 /nfs/dbraw/zinc/46/46/10/399464610.db2.gz FRIIEQZCELHOLM-AWEZNQCLSA-N 1 3 321.465 2.711 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000422741840 296324464 /nfs/dbraw/zinc/32/44/64/296324464.db2.gz PFYFLMBCTPFXIE-SOUVJXGZSA-N 1 3 308.491 2.772 20 0 DFADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1C ZINC000422736188 296323683 /nfs/dbraw/zinc/32/36/83/296323683.db2.gz FTAWEBAGHNEOFJ-MORSLUCNSA-N 1 3 315.461 2.935 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000422736586 296323693 /nfs/dbraw/zinc/32/36/93/296323693.db2.gz YFKMDXPHCGNALQ-APHBMKBZSA-N 1 3 310.869 2.960 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC(C)(C)c1ccc(Cl)cc1 ZINC000422736586 296323695 /nfs/dbraw/zinc/32/36/95/296323695.db2.gz YFKMDXPHCGNALQ-APHBMKBZSA-N 1 3 310.869 2.960 20 0 DFADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1C ZINC000422736187 296323727 /nfs/dbraw/zinc/32/37/27/296323727.db2.gz FTAWEBAGHNEOFJ-JEBQAFNWSA-N 1 3 315.461 2.935 20 0 DFADHO C[C@H](NC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422738051 296324160 /nfs/dbraw/zinc/32/41/60/296324160.db2.gz YIQQYDVEAOENGA-QTXGHNMQSA-N 1 3 301.478 2.988 20 0 DFADHO C[C@@H](c1ccccc1)N1CC[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422738367 296324233 /nfs/dbraw/zinc/32/42/33/296324233.db2.gz JOUZQFDAHHQXDH-JFRXWTBNSA-N 1 3 301.478 2.800 20 0 DFADHO CC1CCN([C@H](CN[C@@H]2CCC[C@@H]2[NH3+])c2ccccc2)CC1 ZINC000422745460 296325153 /nfs/dbraw/zinc/32/51/53/296325153.db2.gz XTORXNAOPKOAJT-IPMKNSEASA-N 1 3 301.478 2.929 20 0 DFADHO CC(C)NC(=O)[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422745733 296325158 /nfs/dbraw/zinc/32/51/58/296325158.db2.gz MTKHDJCCOLABPC-LTCOOKNTSA-N 1 3 315.461 2.804 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000269234192 207360769 /nfs/dbraw/zinc/36/07/69/207360769.db2.gz FKWKGESJOJXXEX-FUHWJXTLSA-N 1 3 319.493 2.951 20 0 DFADHO [NH3+][C@H]1CCC[C@@H]1NCCCc1ccc(Br)cc1F ZINC000422751204 296326545 /nfs/dbraw/zinc/32/65/45/296326545.db2.gz AXZJDRQSPCFOON-KBPBESRZSA-N 1 3 315.230 2.990 20 0 DFADHO COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[NH3+])N2CCCCC2)cc1 ZINC000422755440 296327270 /nfs/dbraw/zinc/32/72/70/296327270.db2.gz HSRVYHJGYIUCDT-OTWHNJEPSA-N 1 3 317.477 2.692 20 0 DFADHO COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2N)N2CCCCC2)cc1 ZINC000422755440 296327271 /nfs/dbraw/zinc/32/72/71/296327271.db2.gz HSRVYHJGYIUCDT-OTWHNJEPSA-N 1 3 317.477 2.692 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000422755251 296327424 /nfs/dbraw/zinc/32/74/24/296327424.db2.gz GMTAPDUGUVQCBE-HYVNUMGLSA-N 1 3 305.441 2.820 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422755251 296327425 /nfs/dbraw/zinc/32/74/25/296327425.db2.gz GMTAPDUGUVQCBE-HYVNUMGLSA-N 1 3 305.441 2.820 20 0 DFADHO CCOc1cc(CCCN[C@@H](C)[C@@H]2CC[NH2+]C2)ccc1OC ZINC000422763689 296328993 /nfs/dbraw/zinc/32/89/93/296328993.db2.gz ULLKCTWNFGKPQU-GOEBONIOSA-N 1 3 306.450 2.614 20 0 DFADHO COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@H]3CN)C2)c1 ZINC000422770776 296330414 /nfs/dbraw/zinc/33/04/14/296330414.db2.gz XFWHBVFVGNLYHZ-TXPKVOOTSA-N 1 3 317.477 2.771 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@@H]3CCCC[C@H]3C[NH3+])C2)c1 ZINC000422770776 296330415 /nfs/dbraw/zinc/33/04/15/296330415.db2.gz XFWHBVFVGNLYHZ-TXPKVOOTSA-N 1 3 317.477 2.771 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000422769232 296329941 /nfs/dbraw/zinc/32/99/41/296329941.db2.gz VIWCFEPBUJFJGD-SJORKVTESA-N 1 3 305.441 2.835 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422771105 296330333 /nfs/dbraw/zinc/33/03/33/296330333.db2.gz XQHNWCWJMNJELE-YOEHRIQHSA-N 1 3 306.425 2.591 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1cccs1)N(C)C ZINC000422773207 296330654 /nfs/dbraw/zinc/33/06/54/296330654.db2.gz ZLVVCIDBQLBQAH-USXIJHARSA-N 1 3 317.502 2.899 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](c1cccs1)N(C)C ZINC000422773207 296330655 /nfs/dbraw/zinc/33/06/55/296330655.db2.gz ZLVVCIDBQLBQAH-USXIJHARSA-N 1 3 317.502 2.899 20 0 DFADHO Cc1cc(C)c(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422777392 296331431 /nfs/dbraw/zinc/33/14/31/296331431.db2.gz FMTMAHRCVLHBTB-IPMKNSEASA-N 1 3 302.462 2.859 20 0 DFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)N1CCC(C)CC1 ZINC000422779809 296331622 /nfs/dbraw/zinc/33/16/22/296331622.db2.gz IXMGZEAADJSNKX-LMMKCTJWSA-N 1 3 303.494 2.655 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@H]1CCCCO1 ZINC000623888955 399487674 /nfs/dbraw/zinc/48/76/74/399487674.db2.gz ZTCOTPZPAIJXNB-QFBILLFUSA-N 1 3 320.477 2.717 20 0 DFADHO Cc1cc(C)c(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422777390 296331685 /nfs/dbraw/zinc/33/16/85/296331685.db2.gz FMTMAHRCVLHBTB-GBESFXJTSA-N 1 3 302.462 2.859 20 0 DFADHO C[C@H](NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422784077 296332356 /nfs/dbraw/zinc/33/23/56/296332356.db2.gz LVALOBHTAKYUPW-GOEBONIOSA-N 1 3 321.896 2.892 20 0 DFADHO Cc1cc(C)cc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422788665 296333069 /nfs/dbraw/zinc/33/30/69/296333069.db2.gz SODMTKKYBNUUAY-IPMKNSEASA-N 1 3 302.462 2.593 20 0 DFADHO CCCCOCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422789832 296333303 /nfs/dbraw/zinc/33/33/03/296333303.db2.gz WZLAWSDYQBUNEQ-WMZOPIPTSA-N 1 3 304.434 2.649 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCNc1ncc(Cl)cc1Cl ZINC000422789595 296333374 /nfs/dbraw/zinc/33/33/74/296333374.db2.gz UKCVWBVERNZZCE-MFKMUULPSA-N 1 3 317.264 2.907 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422789595 296333375 /nfs/dbraw/zinc/33/33/75/296333375.db2.gz UKCVWBVERNZZCE-MFKMUULPSA-N 1 3 317.264 2.907 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCn1cnc2ccccc21 ZINC000422792593 296333564 /nfs/dbraw/zinc/33/35/64/296333564.db2.gz XHLGELDHCXWPRT-LPHOPBHVSA-N 1 3 322.456 2.975 20 0 DFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCn1cnc2ccccc21 ZINC000422792592 296333649 /nfs/dbraw/zinc/33/36/49/296333649.db2.gz XHLGELDHCXWPRT-APWZRJJASA-N 1 3 322.456 2.975 20 0 DFADHO CSCC[C@H](N[C@@H](C)CCCC[NH3+])c1nnc2ccccn21 ZINC000422794494 296334148 /nfs/dbraw/zinc/33/41/48/296334148.db2.gz GUCRIKLXRHITHV-KBPBESRZSA-N 1 3 321.494 2.631 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])cc1 ZINC000422797534 296334867 /nfs/dbraw/zinc/33/48/67/296334867.db2.gz NDQHYZKXPWTIMG-XKQJLSEDSA-N 1 3 305.466 2.545 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422796882 296334890 /nfs/dbraw/zinc/33/48/90/296334890.db2.gz ZIJRRAMNBQAOLT-ZWQIFLOQSA-N 1 3 318.461 2.973 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](C)Oc1ccc(Br)cc1 ZINC000422799064 296335212 /nfs/dbraw/zinc/33/52/12/296335212.db2.gz UWQSNWRPIZLXOX-TUAOUCFPSA-N 1 3 315.255 2.932 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCc1nc(C(F)(F)F)cs1 ZINC000422801917 296335416 /nfs/dbraw/zinc/33/54/16/296335416.db2.gz COSYQMMXOFYKDR-UWVGGRQHSA-N 1 3 307.385 2.812 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422801917 296335417 /nfs/dbraw/zinc/33/54/17/296335417.db2.gz COSYQMMXOFYKDR-UWVGGRQHSA-N 1 3 307.385 2.812 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000422805786 296336394 /nfs/dbraw/zinc/33/63/94/296336394.db2.gz JOABGHQIIZPPIG-PKOBYXMFSA-N 1 3 301.478 2.542 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCc1nc(C(F)(F)F)cs1 ZINC000422801919 296335692 /nfs/dbraw/zinc/33/56/92/296335692.db2.gz COSYQMMXOFYKDR-ZJUUUORDSA-N 1 3 307.385 2.812 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422801919 296335693 /nfs/dbraw/zinc/33/56/93/296335693.db2.gz COSYQMMXOFYKDR-ZJUUUORDSA-N 1 3 307.385 2.812 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422803030 296335982 /nfs/dbraw/zinc/33/59/82/296335982.db2.gz CHKGXAIMZKEERF-JQHSSLGASA-N 1 3 302.462 2.840 20 0 DFADHO CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])ccc2NC1=O ZINC000422809906 296336914 /nfs/dbraw/zinc/33/69/14/296336914.db2.gz MOZKBMOMFHAXNO-FJJYHAOUSA-N 1 3 305.422 2.573 20 0 DFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCN1CCc2ccccc2C1 ZINC000422812923 296337681 /nfs/dbraw/zinc/33/76/81/296337681.db2.gz YJZHYQXQWYIYGA-UTKZUKDTSA-N 1 3 323.484 2.593 20 0 DFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CCc2ccccc2C1 ZINC000422812923 296337682 /nfs/dbraw/zinc/33/76/82/296337682.db2.gz YJZHYQXQWYIYGA-UTKZUKDTSA-N 1 3 323.484 2.593 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000422818667 296339124 /nfs/dbraw/zinc/33/91/24/296339124.db2.gz GVPIVWOXBLPBOQ-RCBQFDQVSA-N 1 3 310.869 2.960 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC(C)(C)c1cccc(Cl)c1 ZINC000422818667 296339125 /nfs/dbraw/zinc/33/91/25/296339125.db2.gz GVPIVWOXBLPBOQ-RCBQFDQVSA-N 1 3 310.869 2.960 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000422830473 296341088 /nfs/dbraw/zinc/34/10/88/296341088.db2.gz IGHJSQKYEALYDC-NZSAHSFTSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@@H](CCC[NH3+])NCc1nccn1CCCc1ccccc1 ZINC000422826769 296340269 /nfs/dbraw/zinc/34/02/69/296340269.db2.gz CMNFPJKUXNXUGK-INIZCTEOSA-N 1 3 300.450 2.733 20 0 DFADHO Cc1ccc([C@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422826724 296340378 /nfs/dbraw/zinc/34/03/78/296340378.db2.gz LYLIHVUDRVMDNV-NEWSRXKRSA-N 1 3 301.478 2.862 20 0 DFADHO Cc1ccc([C@@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422826727 296340437 /nfs/dbraw/zinc/34/04/37/296340437.db2.gz LYLIHVUDRVMDNV-QXAKKESOSA-N 1 3 301.478 2.862 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cn2c(n1)CCCC2 ZINC000422839063 296342342 /nfs/dbraw/zinc/34/23/42/296342342.db2.gz YZABZBGKEXZFMQ-CVEARBPZSA-N 1 3 304.482 2.662 20 0 DFADHO O=C(CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCCCCC1 ZINC000422844082 296343445 /nfs/dbraw/zinc/34/34/45/296343445.db2.gz KTSCAZVWUWIDCB-KZNAEPCWSA-N 1 3 321.509 2.680 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422844131 296343474 /nfs/dbraw/zinc/34/34/74/296343474.db2.gz KXKNIORKAKQINU-UXHICEINSA-N 1 3 315.505 2.943 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(CC(F)(F)F)CC1 ZINC000422854532 296345293 /nfs/dbraw/zinc/34/52/93/296345293.db2.gz AZGYVBOQPSVSNB-DZGCQCFKSA-N 1 3 321.431 2.914 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccnc(OCC(F)(F)F)c1 ZINC000422854022 296345417 /nfs/dbraw/zinc/34/54/17/296345417.db2.gz CITRNHJRNBHXJV-QWHCGFSZSA-N 1 3 317.355 2.630 20 0 DFADHO Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CCC[C@H]3CN)cc2)n1 ZINC000422856552 296345621 /nfs/dbraw/zinc/34/56/21/296345621.db2.gz GHEOGYNTDNLANH-HKUYNNGSSA-N 1 3 312.461 2.749 20 0 DFADHO Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)C[C@H](C)N)cc2)n1 ZINC000422861648 296346547 /nfs/dbraw/zinc/34/65/47/296346547.db2.gz MUIIMJUJUJDGSB-UONOGXRCSA-N 1 3 300.450 2.747 20 0 DFADHO Cc1cc(C)n(-c2ccc(CCN[C@H](C)C[C@H](C)[NH3+])cc2)n1 ZINC000422861648 296346548 /nfs/dbraw/zinc/34/65/48/296346548.db2.gz MUIIMJUJUJDGSB-UONOGXRCSA-N 1 3 300.450 2.747 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422863936 296346794 /nfs/dbraw/zinc/34/67/94/296346794.db2.gz MCTSAUGTYSONJZ-XEZPLFJOSA-N 1 3 309.404 2.651 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422863936 296346796 /nfs/dbraw/zinc/34/67/96/296346796.db2.gz MCTSAUGTYSONJZ-XEZPLFJOSA-N 1 3 309.404 2.651 20 0 DFADHO Cc1ccc(OCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422862989 296346854 /nfs/dbraw/zinc/34/68/54/296346854.db2.gz QWJOZLIGMBNTMI-GUDVDZBRSA-N 1 3 318.461 2.511 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCc2nc(-c3cccs3)no2)C1 ZINC000315340155 532983978 /nfs/dbraw/zinc/98/39/78/532983978.db2.gz FQDLBMXAYHBWNU-CHWSQXEVSA-N 1 3 320.462 2.790 20 0 DFADHO CCOCCOCc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2N)c1 ZINC000422867545 296347345 /nfs/dbraw/zinc/34/73/45/296347345.db2.gz SHDROFAMKOFHPI-OALUTQOASA-N 1 3 320.477 2.989 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)CN1Cc1ccccc1 ZINC000422875572 296348887 /nfs/dbraw/zinc/34/88/87/296348887.db2.gz PFRLDJJEACABJC-FPAYPSAMSA-N 1 3 301.478 2.627 20 0 DFADHO Cc1ccccc1C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC000422877980 296349028 /nfs/dbraw/zinc/34/90/28/296349028.db2.gz JGKMRIZGYIGRBR-JWTNVVGKSA-N 1 3 314.473 2.916 20 0 DFADHO c1cnn(-c2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)c1 ZINC000422882908 296350015 /nfs/dbraw/zinc/35/00/15/296350015.db2.gz POHPHTUGCQHPRD-IPMKNSEASA-N 1 3 310.445 2.883 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1ccc(OC)cc1C(F)(F)F ZINC000422883268 296350168 /nfs/dbraw/zinc/35/01/68/296350168.db2.gz UOVYFGQWGBBARG-GFCCVEGCSA-N 1 3 320.355 2.558 20 0 DFADHO Clc1ccccc1CN1CCC(CN[C@H]2CC[NH2+]C2)CC1 ZINC000422881989 296349754 /nfs/dbraw/zinc/34/97/54/296349754.db2.gz RPPGZYKDYYQYJY-INIZCTEOSA-N 1 3 307.869 2.504 20 0 DFADHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000422886693 296350961 /nfs/dbraw/zinc/35/09/61/296350961.db2.gz JPABPGYNBOCSMI-KBXCAEBGSA-N 1 3 312.461 2.967 20 0 DFADHO C[C@H](CO)N(CC[C@H]1CCC[N@@H+]1C)C[C@@H](C)c1ccccc1 ZINC000347410320 285039009 /nfs/dbraw/zinc/03/90/09/285039009.db2.gz AKHRWUIXMYXYRM-ZHALLVOQSA-N 1 3 304.478 2.957 20 0 DFADHO C[C@H](CO)N(CC[C@H]1CCC[N@H+]1C)C[C@@H](C)c1ccccc1 ZINC000347410320 285039012 /nfs/dbraw/zinc/03/90/12/285039012.db2.gz AKHRWUIXMYXYRM-ZHALLVOQSA-N 1 3 304.478 2.957 20 0 DFADHO C[C@H](CN(CC[C@H]1CCC[N@@H+]1C)[C@@H](C)CO)c1ccccc1 ZINC000347410322 285039273 /nfs/dbraw/zinc/03/92/73/285039273.db2.gz AKHRWUIXMYXYRM-ZIFCJYIRSA-N 1 3 304.478 2.957 20 0 DFADHO C[C@H](CN(CC[C@H]1CCC[N@H+]1C)[C@@H](C)CO)c1ccccc1 ZINC000347410322 285039277 /nfs/dbraw/zinc/03/92/77/285039277.db2.gz AKHRWUIXMYXYRM-ZIFCJYIRSA-N 1 3 304.478 2.957 20 0 DFADHO Cc1cc(C)n(-c2ccccc2CN[C@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000422886695 296350820 /nfs/dbraw/zinc/35/08/20/296350820.db2.gz JPABPGYNBOCSMI-KSSFIOAISA-N 1 3 312.461 2.967 20 0 DFADHO C[C@H](NC[C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422902669 296353507 /nfs/dbraw/zinc/35/35/07/296353507.db2.gz UXUMDLNGNJFPSF-HDMKZQKVSA-N 1 3 305.441 2.772 20 0 DFADHO C[C@H](N[C@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CC[NH2+]C1 ZINC000422906481 296354414 /nfs/dbraw/zinc/35/44/14/296354414.db2.gz JWCYKOPVLVEYAK-KKUMJFAQSA-N 1 3 323.431 2.517 20 0 DFADHO CC[C@H](Nc1cccc(OCCN(C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000422909611 296354503 /nfs/dbraw/zinc/35/45/03/296354503.db2.gz GLPNAFCRMBEYKY-ROUUACIJSA-N 1 3 305.466 2.960 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1nc(-c2ccncc2)cs1 ZINC000422914590 296355289 /nfs/dbraw/zinc/35/52/89/296355289.db2.gz UVZWDZMJSMKGGS-DZGCQCFKSA-N 1 3 316.474 2.725 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000422911469 296355088 /nfs/dbraw/zinc/35/50/88/296355088.db2.gz SXIVMPCFLDMANL-YDHLFZDLSA-N 1 3 323.868 2.515 20 0 DFADHO CC[C@H](NCCCc1ccc2c(c1)OCCO2)[C@H]1CCCC[NH2+]1 ZINC000422929637 296356805 /nfs/dbraw/zinc/35/68/05/296356805.db2.gz QVQSGHSTBPSQBE-DLBZAZTESA-N 1 3 318.461 2.901 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422930610 296356871 /nfs/dbraw/zinc/35/68/71/296356871.db2.gz VFYUKLUQBMFNKE-WCQYABFASA-N 1 3 320.355 2.990 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCOc1cccc2ccccc21 ZINC000422936596 296357925 /nfs/dbraw/zinc/35/79/25/296357925.db2.gz FJJJMIALOOKZKK-BMGDILEWSA-N 1 3 314.429 2.561 20 0 DFADHO C[C@@H](NCCc1ccc(F)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000422935954 296357465 /nfs/dbraw/zinc/35/74/65/296357465.db2.gz LJFGUUQMXJMYLF-PWSUYJOCSA-N 1 3 315.230 2.718 20 0 DFADHO CC(C)c1noc(CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422938091 296357806 /nfs/dbraw/zinc/35/78/06/296357806.db2.gz PHSDJCODTIENNO-ZNMIVQPWSA-N 1 3 306.454 2.636 20 0 DFADHO C[C@@H](CCCC[NH3+])NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000422946754 296359260 /nfs/dbraw/zinc/35/92/60/296359260.db2.gz PFELBAIZLAXVBG-HNNXBMFYSA-N 1 3 312.461 2.968 20 0 DFADHO C[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CCCCO1 ZINC000624006408 399520348 /nfs/dbraw/zinc/52/03/48/399520348.db2.gz VZPWPCGMMDSHHA-OQIJWPOYSA-N 1 3 302.462 2.879 20 0 DFADHO C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCCCO1 ZINC000624006408 399520352 /nfs/dbraw/zinc/52/03/52/399520352.db2.gz VZPWPCGMMDSHHA-OQIJWPOYSA-N 1 3 302.462 2.879 20 0 DFADHO C[C@H](CCCC[NH3+])N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000422956063 296360655 /nfs/dbraw/zinc/36/06/55/296360655.db2.gz KKGIYUAJIKVHMO-OCCSQVGLSA-N 1 3 309.841 2.552 20 0 DFADHO C[C@@H](CCCC[NH3+])N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000422956061 296360660 /nfs/dbraw/zinc/36/06/60/296360660.db2.gz KKGIYUAJIKVHMO-GXTWGEPZSA-N 1 3 309.841 2.552 20 0 DFADHO c1cc(CN2CCSCC2)cc(N[C@H]2CCC[NH2+]CC2)c1 ZINC000422957374 296360745 /nfs/dbraw/zinc/36/07/45/296360745.db2.gz SZSJZLRIBGWZDK-INIZCTEOSA-N 1 3 305.491 2.789 20 0 DFADHO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000422953337 296360376 /nfs/dbraw/zinc/36/03/76/296360376.db2.gz FHJLFCLLXNCMRV-NRSFXHEJSA-N 1 3 304.482 2.728 20 0 DFADHO CC[C@H](NCCCN(C(=O)C1CCC1)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000422954193 296360401 /nfs/dbraw/zinc/36/04/01/296360401.db2.gz HFODINYLCUMVEG-ROUUACIJSA-N 1 3 321.509 2.678 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000422953707 296360428 /nfs/dbraw/zinc/36/04/28/296360428.db2.gz GGMPMNSOEJDEPC-MSOLQXFVSA-N 1 3 315.461 2.559 20 0 DFADHO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000422961650 296361415 /nfs/dbraw/zinc/36/14/15/296361415.db2.gz ZMIYIPIPISXDMM-LZQZEXGQSA-N 1 3 312.461 2.911 20 0 DFADHO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000422961607 296361478 /nfs/dbraw/zinc/36/14/78/296361478.db2.gz ZMIYIPIPISXDMM-ATZDWAIDSA-N 1 3 312.461 2.911 20 0 DFADHO Cc1noc(C)c1[C@H](C)CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422962027 296361519 /nfs/dbraw/zinc/36/15/19/296361519.db2.gz BRUPZQMFVGSTOH-PBFPGSCMSA-N 1 3 301.434 2.943 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCNc1cccc(Br)c1 ZINC000422963295 296361588 /nfs/dbraw/zinc/36/15/88/296361588.db2.gz IEWPKIILLVXMRE-FZMZJTMJSA-N 1 3 312.255 2.578 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000422963295 296361589 /nfs/dbraw/zinc/36/15/89/296361589.db2.gz IEWPKIILLVXMRE-FZMZJTMJSA-N 1 3 312.255 2.578 20 0 DFADHO c1ccc(C2CC(N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422962997 296361781 /nfs/dbraw/zinc/36/17/81/296361781.db2.gz DYMZFOOMRASONM-CPLYBDICSA-N 1 3 300.446 2.679 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1ccnc(OC2CCCCC2)c1 ZINC000422970490 296362931 /nfs/dbraw/zinc/36/29/31/296362931.db2.gz GJAPFXKWZIFXRL-MRXNPFEDSA-N 1 3 321.465 2.637 20 0 DFADHO CC(C)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N)N1CCCC1 ZINC000422967107 296362641 /nfs/dbraw/zinc/36/26/41/296362641.db2.gz SJQAOPNPHTXEDX-NEWSRXKRSA-N 1 3 303.494 2.655 20 0 DFADHO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000422987762 296364192 /nfs/dbraw/zinc/36/41/92/296364192.db2.gz HJSDTIHRQFLRLN-YSHGAJCASA-N 1 3 301.478 2.798 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422985748 296364277 /nfs/dbraw/zinc/36/42/77/296364277.db2.gz ADUAIWAYUWRQFR-SGMGOOAPSA-N 1 3 318.383 2.572 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422985748 296364278 /nfs/dbraw/zinc/36/42/78/296364278.db2.gz ADUAIWAYUWRQFR-SGMGOOAPSA-N 1 3 318.383 2.572 20 0 DFADHO Cc1cc(C[C@H](C)N[C@@H]2CCC[NH2+]CC2)n(-c2ccccc2)n1 ZINC000422994500 296364880 /nfs/dbraw/zinc/36/48/80/296364880.db2.gz HXFXWLPZOXXZFX-DOTOQJQBSA-N 1 3 312.461 2.843 20 0 DFADHO C[C@@H]1CCNC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423002483 296366029 /nfs/dbraw/zinc/36/60/29/296366029.db2.gz JJHJOAVFVMRRAH-DOMZBBRYSA-N 1 3 316.367 2.853 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000422997690 296365473 /nfs/dbraw/zinc/36/54/73/296365473.db2.gz VKBDKSBXNLZXLF-MSOLQXFVSA-N 1 3 302.466 2.548 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000422999206 296365628 /nfs/dbraw/zinc/36/56/28/296365628.db2.gz SCERGADLNOYYRE-AAEUAGOBSA-N 1 3 317.355 2.586 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCCN(c2ccccc2F)C1 ZINC000423008592 296367230 /nfs/dbraw/zinc/36/72/30/296367230.db2.gz AMMRMXDSJZUZBD-VYDXJSESSA-N 1 3 305.441 2.772 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(COCC(F)(F)F)c1 ZINC000423005344 296366441 /nfs/dbraw/zinc/36/64/41/296366441.db2.gz RNPPSIHZAQMVCH-LSDHHAIUSA-N 1 3 316.367 2.983 20 0 DFADHO CN(Cc1ccco1)Cc1ccccc1CNC1CC[NH2+]CC1 ZINC000423007150 296366489 /nfs/dbraw/zinc/36/64/89/296366489.db2.gz PYQCHVWMGDYUTI-UHFFFAOYSA-N 1 3 313.445 2.753 20 0 DFADHO CC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCO1 ZINC000423011234 296367328 /nfs/dbraw/zinc/36/73/28/296367328.db2.gz IIFWWSPWJAHWPZ-ISARSNTHSA-N 1 3 316.445 2.790 20 0 DFADHO COc1cc(F)cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)c1 ZINC000423011266 296367559 /nfs/dbraw/zinc/36/75/59/296367559.db2.gz ATIYYETVYPFOEM-ACJLOTCBSA-N 1 3 302.393 2.882 20 0 DFADHO CC[C@H]([NH2+][C@@H]1COc2cc(OC)ccc2C1)[C@H]1CCCCN1 ZINC000423021361 296369055 /nfs/dbraw/zinc/36/90/55/296369055.db2.gz FBBYWQYJTPWZPH-BHYGNILZSA-N 1 3 304.434 2.509 20 0 DFADHO Fc1cc(N2CC[C@H](N[C@@H]3CCC[NH2+]CC3)C2)ccc1Cl ZINC000423025626 296369070 /nfs/dbraw/zinc/36/90/70/296369070.db2.gz ORQODEPIGXPHHT-OLZOCXBDSA-N 1 3 311.832 2.790 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000423018086 296368508 /nfs/dbraw/zinc/36/85/08/296368508.db2.gz QFBDCEWAAFDDIU-KGLIPLIRSA-N 1 3 305.466 2.688 20 0 DFADHO CC[C@H](CSC)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423019172 296368654 /nfs/dbraw/zinc/36/86/54/296368654.db2.gz UICKGAAAITZEDN-KMFMINBZSA-N 1 3 306.475 2.974 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423021462 296368772 /nfs/dbraw/zinc/36/87/72/296368772.db2.gz FEONPFSPEKYNBM-MQIPJXDCSA-N 1 3 311.832 2.775 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423021462 296368774 /nfs/dbraw/zinc/36/87/74/296368774.db2.gz FEONPFSPEKYNBM-MQIPJXDCSA-N 1 3 311.832 2.775 20 0 DFADHO CCC(CC)[C@@H]1C[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCO1 ZINC000423040161 296370990 /nfs/dbraw/zinc/37/09/90/296370990.db2.gz GSJRWLLOGBCAQA-NNIGNNQHSA-N 1 3 324.509 2.717 20 0 DFADHO CCC[N@H+](C)CC(C)(C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000620622215 399545173 /nfs/dbraw/zinc/54/51/73/399545173.db2.gz HXJONIVGUDXMNE-KRWDZBQOSA-N 1 3 319.493 2.916 20 0 DFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000620622215 399545175 /nfs/dbraw/zinc/54/51/75/399545175.db2.gz HXJONIVGUDXMNE-KRWDZBQOSA-N 1 3 319.493 2.916 20 0 DFADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCCO1 ZINC000423044954 296371285 /nfs/dbraw/zinc/37/12/85/296371285.db2.gz RMRSFCLJHNSBML-WFEDQXDTSA-N 1 3 316.445 2.790 20 0 DFADHO CCO[C@@H]1C[C@H](N[C@@H](C)C[C@H]2CCCCC[NH2+]2)C12CCOCC2 ZINC000423054378 296372898 /nfs/dbraw/zinc/37/28/98/296372898.db2.gz UQTLDASKTPNQDL-XWTMOSNGSA-N 1 3 324.509 2.861 20 0 DFADHO COC[C@H](CCC[NH3+])NC[C@@H](c1ccccc1)C(F)(F)F ZINC000423059550 296373583 /nfs/dbraw/zinc/37/35/83/296373583.db2.gz FTZKZIGWRVYYTA-KBPBESRZSA-N 1 3 304.356 2.676 20 0 DFADHO COC[C@@H](CCC[NH3+])NC[C@H](c1ccccc1)C(F)(F)F ZINC000423059553 296373611 /nfs/dbraw/zinc/37/36/11/296373611.db2.gz FTZKZIGWRVYYTA-ZIAGYGMSSA-N 1 3 304.356 2.676 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](c1ccccc1)C(F)(F)F ZINC000423066597 296374296 /nfs/dbraw/zinc/37/42/96/296374296.db2.gz XJIGQQVCDZUHEY-SPWCGHHHSA-N 1 3 316.367 2.674 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1cccc(C)c1Br ZINC000423075678 296375216 /nfs/dbraw/zinc/37/52/16/296375216.db2.gz XNXAJAHSPRZXMB-CYBMUJFWSA-N 1 3 315.255 2.601 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCOCC(F)(F)C(F)F ZINC000423073597 296375262 /nfs/dbraw/zinc/37/52/62/296375262.db2.gz JFGQHOAHEGGOMZ-NEPJUHHUSA-N 1 3 314.367 2.804 20 0 DFADHO C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCCCN1C1CC1 ZINC000423075247 296375324 /nfs/dbraw/zinc/37/53/24/296375324.db2.gz OCNHKTWDAPMVQM-FCGDIQPGSA-N 1 3 305.510 2.904 20 0 DFADHO CC(C)n1ncc2c1C[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CC2 ZINC000423069552 296374658 /nfs/dbraw/zinc/37/46/58/296374658.db2.gz DUYKKBRBNXUMQE-XMTFNYHQSA-N 1 3 316.493 2.832 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423084477 296376215 /nfs/dbraw/zinc/37/62/15/296376215.db2.gz IASBXGHJDLNTOA-ZTRSQXPZSA-N 1 3 302.462 2.520 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC1(CO)CC(c2ccccc2)C1 ZINC000423084477 296376217 /nfs/dbraw/zinc/37/62/17/296376217.db2.gz IASBXGHJDLNTOA-ZTRSQXPZSA-N 1 3 302.462 2.520 20 0 DFADHO C[C@](CO)(CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423077233 296375710 /nfs/dbraw/zinc/37/57/10/296375710.db2.gz LSKOCAQKPBQZQF-MTQWCTHYSA-N 1 3 316.489 2.738 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423083336 296376340 /nfs/dbraw/zinc/37/63/40/296376340.db2.gz FVNHFBSIGPPRKL-CNDNWHGTSA-N 1 3 306.425 2.804 20 0 DFADHO CC[C@H](NC1CCN(c2nccs2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423095309 296377633 /nfs/dbraw/zinc/37/76/33/296377633.db2.gz DQNMKLCPLOPAEZ-GJZGRUSLSA-N 1 3 308.495 2.622 20 0 DFADHO CN(C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000616995510 399558784 /nfs/dbraw/zinc/55/87/84/399558784.db2.gz STTVUTPQGITTDD-INIZCTEOSA-N 1 3 317.477 2.598 20 0 DFADHO CN(C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000616995510 399558787 /nfs/dbraw/zinc/55/87/87/399558787.db2.gz STTVUTPQGITTDD-INIZCTEOSA-N 1 3 317.477 2.598 20 0 DFADHO COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)C2 ZINC000624122953 399560332 /nfs/dbraw/zinc/56/03/32/399560332.db2.gz BPPVXAIQJRWRLW-DOTOQJQBSA-N 1 3 302.462 2.874 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423104619 296379109 /nfs/dbraw/zinc/37/91/09/296379109.db2.gz YGHIFXGHUUQSSO-VCQFHVMDSA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423104619 296379110 /nfs/dbraw/zinc/37/91/10/296379110.db2.gz YGHIFXGHUUQSSO-VCQFHVMDSA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@](C)(CO)c1ccccc1 ZINC000423108711 296379406 /nfs/dbraw/zinc/37/94/06/296379406.db2.gz MNUVKIIQNVRYBY-NEWSRXKRSA-N 1 3 304.478 2.837 20 0 DFADHO CC(C)SCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423103290 296378776 /nfs/dbraw/zinc/37/87/76/296378776.db2.gz GGTRQFVTIFEMAE-RDJZCZTQSA-N 1 3 306.475 2.974 20 0 DFADHO CCCN(C)[C@@H](CN[C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423111776 296379723 /nfs/dbraw/zinc/37/97/23/296379723.db2.gz WNNZFXHTOBZMNC-GUYCJALGSA-N 1 3 309.885 2.920 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000120247136 195127093 /nfs/dbraw/zinc/12/70/93/195127093.db2.gz AASAJTOLXNMLJU-DNVCBOLYSA-N 1 3 317.477 2.622 20 0 DFADHO COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)C2 ZINC000624122954 399561149 /nfs/dbraw/zinc/56/11/49/399561149.db2.gz BPPVXAIQJRWRLW-NVXWUHKLSA-N 1 3 302.462 2.874 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NC1CC(c2cccc(Cl)c2)C1 ZINC000423113061 296379960 /nfs/dbraw/zinc/37/99/60/296379960.db2.gz YGHIFXGHUUQSSO-OIJKBMDDSA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000423113061 296379961 /nfs/dbraw/zinc/37/99/61/296379961.db2.gz YGHIFXGHUUQSSO-OIJKBMDDSA-N 1 3 308.853 2.928 20 0 DFADHO C[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000624122940 399561461 /nfs/dbraw/zinc/56/14/61/399561461.db2.gz BKEQVISOGSGNGC-CVEARBPZSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000624122940 399561463 /nfs/dbraw/zinc/56/14/63/399561463.db2.gz BKEQVISOGSGNGC-CVEARBPZSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(-n2ccnn2)c1 ZINC000624122940 399561467 /nfs/dbraw/zinc/56/14/67/399561467.db2.gz BKEQVISOGSGNGC-CVEARBPZSA-N 1 3 313.449 2.650 20 0 DFADHO CO[C@H]1CCCC[C@@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423117450 296380282 /nfs/dbraw/zinc/38/02/82/296380282.db2.gz VOILQYITEMMRJQ-OGWHTMIXSA-N 1 3 316.445 2.790 20 0 DFADHO CC(C)Cc1ccc([C@@H](CN[C@H](C)C2C[NH2+]C2)N(C)C)cc1 ZINC000423118510 296380705 /nfs/dbraw/zinc/38/07/05/296380705.db2.gz AXKAZMPLHBZCAL-DNVCBOLYSA-N 1 3 303.494 2.685 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000423118734 296380809 /nfs/dbraw/zinc/38/08/09/296380809.db2.gz AATFEAOICBAZOF-LRDDRELGSA-N 1 3 315.392 2.642 20 0 DFADHO Cn1nccc1[C@H]1CCC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000624123952 399562928 /nfs/dbraw/zinc/56/29/28/399562928.db2.gz UPSNWPZTDSPNIF-IKGGRYGDSA-N 1 3 304.482 2.768 20 0 DFADHO COc1ccc(CCN[C@@H](C)C[C@H](C)[NH3+])c(Cl)c1OC ZINC000423129185 296382011 /nfs/dbraw/zinc/38/20/11/296382011.db2.gz DZNGJLIQVAOXCO-QWRGUYRKSA-N 1 3 300.830 2.615 20 0 DFADHO COc1ccc(CC[NH2+][C@@H](C)C[C@H](C)N)c(Cl)c1OC ZINC000423129185 296382013 /nfs/dbraw/zinc/38/20/13/296382013.db2.gz DZNGJLIQVAOXCO-QWRGUYRKSA-N 1 3 300.830 2.615 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1cc(C(F)(F)F)ccn1 ZINC000423140526 296383898 /nfs/dbraw/zinc/38/38/98/296383898.db2.gz YVSJEXDRRSEFJC-BXUZGUMPSA-N 1 3 301.356 2.621 20 0 DFADHO C[C@@H](NC[C@H]1CCN(c2ccccc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423141530 296383962 /nfs/dbraw/zinc/38/39/62/296383962.db2.gz QNDWSPFOMCIQQP-INMHGKMJSA-N 1 3 305.441 2.772 20 0 DFADHO CCCOc1c(OC)cc(CCN[C@@H]2CCC[C@H]2[NH3+])cc1OC ZINC000423146360 296384740 /nfs/dbraw/zinc/38/47/40/296384740.db2.gz AIJCWHHBPVJOBE-HUUCEWRRSA-N 1 3 322.449 2.505 20 0 DFADHO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423145761 296384835 /nfs/dbraw/zinc/38/48/35/296384835.db2.gz MIJWRZPSZQPUTG-JQWIXIFHSA-N 1 3 319.371 2.857 20 0 DFADHO C[C@@H](NCCc1ccc(Br)cc1Cl)C1C[NH2+]C1 ZINC000423150409 296385547 /nfs/dbraw/zinc/38/55/47/296385547.db2.gz YWCYPPILXBBHKW-SECBINFHSA-N 1 3 317.658 2.843 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(Br)cc1Cl)C1CNC1 ZINC000423150409 296385548 /nfs/dbraw/zinc/38/55/48/296385548.db2.gz YWCYPPILXBBHKW-SECBINFHSA-N 1 3 317.658 2.843 20 0 DFADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000617009085 399568649 /nfs/dbraw/zinc/56/86/49/399568649.db2.gz RXLIVBNIKCZMFY-IRXDYDNUSA-N 1 3 321.509 2.773 20 0 DFADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000617009085 399568653 /nfs/dbraw/zinc/56/86/53/399568653.db2.gz RXLIVBNIKCZMFY-IRXDYDNUSA-N 1 3 321.509 2.773 20 0 DFADHO Cc1nc(CN[C@@H](C)CCCC[NH3+])sc1Br ZINC000423157644 296386286 /nfs/dbraw/zinc/38/62/86/296386286.db2.gz MUMJLCGFJMTVOW-QMMMGPOBSA-N 1 3 306.273 2.821 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000423154367 296385757 /nfs/dbraw/zinc/38/57/57/296385757.db2.gz OVMDVXIETDSMLC-ABAIWWIYSA-N 1 3 300.805 2.836 20 0 DFADHO CO[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423156643 296386058 /nfs/dbraw/zinc/38/60/58/296386058.db2.gz LJAWIBFZCAEFKF-INDMIFKZSA-N 1 3 302.462 2.754 20 0 DFADHO C[C@H]1CC[NH2+]C[C@@H]1NCC1(N(C)Cc2ccccc2)CCC1 ZINC000423159221 296386596 /nfs/dbraw/zinc/38/65/96/296386596.db2.gz XPHNFAPQXWUYEB-WMZOPIPTSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423172353 296387640 /nfs/dbraw/zinc/38/76/40/296387640.db2.gz SLOKGHGKPPHIHF-CZIOMAOESA-N 1 3 302.462 2.768 20 0 DFADHO COc1cccc2c1C[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423173664 296388020 /nfs/dbraw/zinc/38/80/20/296388020.db2.gz ZPHBRWMIPAHEOY-XYVMCAHJSA-N 1 3 300.446 2.673 20 0 DFADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423181286 296389017 /nfs/dbraw/zinc/38/90/17/296389017.db2.gz OQFXVSGZOOLQCT-GFCCVEGCSA-N 1 3 316.276 2.939 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1(N)CCCCC1 ZINC000423182254 296389188 /nfs/dbraw/zinc/38/91/88/296389188.db2.gz QJAUDHPNBSKHIA-HNNXBMFYSA-N 1 3 303.450 2.679 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1(N)CCCCC1 ZINC000423182255 296389335 /nfs/dbraw/zinc/38/93/35/296389335.db2.gz QJAUDHPNBSKHIA-OAHLLOKOSA-N 1 3 303.450 2.679 20 0 DFADHO Clc1ccccc1C[C@@H]([NH2+]C1CCNCC1)[C@H]1CCCO1 ZINC000423185882 296389660 /nfs/dbraw/zinc/38/96/60/296389660.db2.gz NUMXOFXWTKJXOO-IAGOWNOFSA-N 1 3 308.853 2.772 20 0 DFADHO Cc1c2ccccc2oc1[C@@H](C)NCCCN1CC[NH2+]CC1 ZINC000423184977 296389741 /nfs/dbraw/zinc/38/97/41/296389741.db2.gz UHZUASYMPDZWGM-OAHLLOKOSA-N 1 3 301.434 2.687 20 0 DFADHO C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CCCNCC1 ZINC000423191400 296390403 /nfs/dbraw/zinc/39/04/03/296390403.db2.gz STJFERNWGPXSFF-XJKSGUPXSA-N 1 3 303.425 2.980 20 0 DFADHO CC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](O)C(C)C ZINC000423191950 296390542 /nfs/dbraw/zinc/39/05/42/296390542.db2.gz UFXSPQGGGSSSBT-QFHJOOASSA-N 1 3 318.461 2.627 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]CC1(N)CCCCCC1)CO2 ZINC000423197706 296391726 /nfs/dbraw/zinc/39/17/26/296391726.db2.gz ARVBUFWOCJMLPY-OAHLLOKOSA-N 1 3 304.434 2.640 20 0 DFADHO CCc1c2ccccc2oc1[C@H](C)NCCCN1CC[NH2+]CC1 ZINC000423195573 296391138 /nfs/dbraw/zinc/39/11/38/296391138.db2.gz ZLGPHYDIDVARRJ-HNNXBMFYSA-N 1 3 315.461 2.941 20 0 DFADHO Cc1ccc(C)c([C@H](NCCN2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423209780 296392724 /nfs/dbraw/zinc/39/27/24/296392724.db2.gz VPJPAQHESKJXCR-OAQYLSRUSA-N 1 3 323.484 2.888 20 0 DFADHO Cc1cc2cc([C@H](C)NCCN3CC[NH2+]CC3)oc2cc1C ZINC000423211439 296392769 /nfs/dbraw/zinc/39/27/69/296392769.db2.gz YEFINESWHILYGX-HNNXBMFYSA-N 1 3 301.434 2.605 20 0 DFADHO Fc1ccc([C@H](C[C@H]2CCOC2)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423210598 296392831 /nfs/dbraw/zinc/39/28/31/296392831.db2.gz KBRJHDWLDGAJRB-RKVPGOIHSA-N 1 3 306.425 2.883 20 0 DFADHO Brc1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCCNC1)C2 ZINC000423217123 296393383 /nfs/dbraw/zinc/39/33/83/296393383.db2.gz SXYADIUNRLGPPD-MLGOLLRUSA-N 1 3 323.278 2.896 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000423222000 296393866 /nfs/dbraw/zinc/39/38/66/296393866.db2.gz ZBNFZLZVTDKFCH-QGPMSJSTSA-N 1 3 308.441 2.751 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423222000 296393868 /nfs/dbraw/zinc/39/38/68/296393868.db2.gz ZBNFZLZVTDKFCH-QGPMSJSTSA-N 1 3 308.441 2.751 20 0 DFADHO C[C@@H](NC1CCC([NH3+])CC1)c1ncc(Br)s1 ZINC000423220840 296394005 /nfs/dbraw/zinc/39/40/05/296394005.db2.gz VZINIZHDCIYGOR-AFPNSQJFSA-N 1 3 304.257 2.826 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCNC2)C1 ZINC000423221930 296394055 /nfs/dbraw/zinc/39/40/55/296394055.db2.gz YSMGAVQBFZHXDG-QAETUUGQSA-N 1 3 310.482 2.866 20 0 DFADHO C[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ncc(Br)s1 ZINC000423241606 296395886 /nfs/dbraw/zinc/39/58/86/296395886.db2.gz DKTINBYLORPTHE-BDAKNGLRSA-N 1 3 304.257 2.556 20 0 DFADHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1ncc(Br)s1 ZINC000423241608 296396116 /nfs/dbraw/zinc/39/61/16/296396116.db2.gz DKTINBYLORPTHE-IUCAKERBSA-N 1 3 304.257 2.556 20 0 DFADHO C[C@@H](NC1CCC([NH3+])CC1)c1ncc(Br)cc1F ZINC000423232463 296395373 /nfs/dbraw/zinc/39/53/73/296395373.db2.gz MRPOVNWNDZQTRY-MFAVDMRSSA-N 1 3 316.218 2.904 20 0 DFADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CN1 ZINC000629395730 399592784 /nfs/dbraw/zinc/59/27/84/399592784.db2.gz QLPXMIJYFHFRSH-BEFAXECRSA-N 1 3 319.468 2.563 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H]2CN)c(C)c1OC ZINC000423271334 296399180 /nfs/dbraw/zinc/39/91/80/296399180.db2.gz IYJVGDOCFAJAMA-VBNZEHGJSA-N 1 3 306.450 2.660 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423283759 296400622 /nfs/dbraw/zinc/40/06/22/296400622.db2.gz WEPXVNXJMKUFKE-CGTJXYLNSA-N 1 3 308.441 2.880 20 0 DFADHO COCC[C@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000156087583 197086027 /nfs/dbraw/zinc/08/60/27/197086027.db2.gz OIRZOMYVKDNWOD-SFHVURJKSA-N 1 3 319.493 2.603 20 0 DFADHO Cc1c([C@@H](C)NCC2=CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000423330557 296405210 /nfs/dbraw/zinc/40/52/10/296405210.db2.gz CDJXGACWPZVUQF-CYBMUJFWSA-N 1 3 314.408 2.890 20 0 DFADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423335785 296405722 /nfs/dbraw/zinc/40/57/22/296405722.db2.gz XKGDGUFQMLXVRX-DLBZAZTESA-N 1 3 317.477 2.655 20 0 DFADHO C[C@H]1CCN[C@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000423354371 296407660 /nfs/dbraw/zinc/40/76/60/296407660.db2.gz NKHRMXDRKBOIJU-YJBOKZPZSA-N 1 3 315.461 2.652 20 0 DFADHO C[NH+]1CCC(CCNC(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423353060 296407669 /nfs/dbraw/zinc/40/76/69/296407669.db2.gz CGIDLFMUWLJWKK-QGZVFWFLSA-N 1 3 317.477 2.561 20 0 DFADHO Brc1ccc2c(c1)CC[C@H](NC[C@@H]1CC[NH2+]C1)C2 ZINC000423347129 296407054 /nfs/dbraw/zinc/40/70/54/296407054.db2.gz QSQIQPCKGVFFBY-ABAIWWIYSA-N 1 3 309.251 2.506 20 0 DFADHO COCCOc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000423366138 296408999 /nfs/dbraw/zinc/40/89/99/296408999.db2.gz BOGFTKDMGUJFFJ-BPUTZDHNSA-N 1 3 322.449 2.641 20 0 DFADHO Cc1ccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000423381049 296410442 /nfs/dbraw/zinc/41/04/42/296410442.db2.gz HPVHSMDNZBOTIO-AAEUAGOBSA-N 1 3 321.412 2.543 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCNC[C@H]2C)cc1OC ZINC000423394641 296411947 /nfs/dbraw/zinc/41/19/47/296411947.db2.gz MVNABYGWUVANDW-NYTXWWLZSA-N 1 3 306.450 2.783 20 0 DFADHO COCC1(CN[C@@H](C)c2csc(C(C)C)n2)CC[NH2+]CC1 ZINC000423413762 296414488 /nfs/dbraw/zinc/41/44/88/296414488.db2.gz ZXZKRIHCMXXHJK-ZDUSSCGKSA-N 1 3 311.495 2.933 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)CC(C)C ZINC000361213549 285247552 /nfs/dbraw/zinc/24/75/52/285247552.db2.gz QWLCYTPHUOYVFZ-IAGOWNOFSA-N 1 3 311.514 2.543 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)CC(C)C ZINC000361213549 285247557 /nfs/dbraw/zinc/24/75/57/285247557.db2.gz QWLCYTPHUOYVFZ-IAGOWNOFSA-N 1 3 311.514 2.543 20 0 DFADHO c1ccc(C[C@@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cccnc2)nc1 ZINC000423436878 296416725 /nfs/dbraw/zinc/41/67/25/296416725.db2.gz LYSQSUVYRJZBDZ-XUVXKRRUSA-N 1 3 322.456 2.738 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)c2ccccc2)CC1 ZINC000073127295 542463651 /nfs/dbraw/zinc/46/36/51/542463651.db2.gz CPZFLVZDUVXOCD-UHFFFAOYSA-N 1 3 317.477 2.702 20 0 DFADHO COC[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)c1cccc(Cl)c1F ZINC000423493137 296421983 /nfs/dbraw/zinc/42/19/83/296421983.db2.gz AVWPGKNAMNDFJX-WDMOLILDSA-N 1 3 300.805 2.884 20 0 DFADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(C)ccc1OC ZINC000271553582 209007380 /nfs/dbraw/zinc/00/73/80/209007380.db2.gz MUYYRPUTGCWYRP-INIZCTEOSA-N 1 3 306.450 2.501 20 0 DFADHO CCCC[C@H](COC)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000120644351 195206752 /nfs/dbraw/zinc/20/67/52/195206752.db2.gz MTGFCVJDNCJHMM-MOPGFXCFSA-N 1 3 320.477 2.548 20 0 DFADHO C[C@@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cn[nH]c1 ZINC000271563414 209016572 /nfs/dbraw/zinc/01/65/72/209016572.db2.gz URRACCQKELRODR-ZIAGYGMSSA-N 1 3 302.422 2.762 20 0 DFADHO C[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cn[nH]c1 ZINC000271563412 209015425 /nfs/dbraw/zinc/01/54/25/209015425.db2.gz URRACCQKELRODR-UONOGXRCSA-N 1 3 302.422 2.762 20 0 DFADHO COc1ccc([C@H](OC)[C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000271586627 209035227 /nfs/dbraw/zinc/03/52/27/209035227.db2.gz XPCLERFQMXSRSQ-KJGCVMFHSA-N 1 3 306.450 2.844 20 0 DFADHO COc1ccc([C@H](OC)[C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000271586627 209035229 /nfs/dbraw/zinc/03/52/29/209035229.db2.gz XPCLERFQMXSRSQ-KJGCVMFHSA-N 1 3 306.450 2.844 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(F)c(CN(C)C)c1 ZINC000120898271 195261084 /nfs/dbraw/zinc/26/10/84/195261084.db2.gz JBSALKWBDHBDMB-GLJUWKHASA-N 1 3 307.457 2.706 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(F)c(CN(C)C)c1 ZINC000120898271 195261086 /nfs/dbraw/zinc/26/10/86/195261086.db2.gz JBSALKWBDHBDMB-GLJUWKHASA-N 1 3 307.457 2.706 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000120898271 195261087 /nfs/dbraw/zinc/26/10/87/195261087.db2.gz JBSALKWBDHBDMB-GLJUWKHASA-N 1 3 307.457 2.706 20 0 DFADHO CCOc1cccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000289507356 221026274 /nfs/dbraw/zinc/02/62/74/221026274.db2.gz UIUNPCIJSSBFHJ-UHFFFAOYSA-N 1 3 319.493 2.543 20 0 DFADHO CC(C)[NH+]1CCC(NC[C@@]2(CO)C[C@H]2c2ccccc2)CC1 ZINC000289602881 221096300 /nfs/dbraw/zinc/09/63/00/221096300.db2.gz CTBUUBXUKAIIAD-RBUKOAKNSA-N 1 3 302.462 2.615 20 0 DFADHO CC(C)[NH+]1CCC(NC[C@]2(CO)C[C@@H]2c2ccccc2)CC1 ZINC000289602875 221097026 /nfs/dbraw/zinc/09/70/26/221097026.db2.gz CTBUUBXUKAIIAD-MOPGFXCFSA-N 1 3 302.462 2.615 20 0 DFADHO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000624309006 399633879 /nfs/dbraw/zinc/63/38/79/399633879.db2.gz BIIUAEAWMBIQSA-RKVPGOIHSA-N 1 3 306.450 2.703 20 0 DFADHO CC[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(OC(F)F)cc1 ZINC000629524375 399635394 /nfs/dbraw/zinc/63/53/94/399635394.db2.gz PYNNYBQENFSBGU-CQSZACIVSA-N 1 3 314.376 2.837 20 0 DFADHO C[NH2+]CCOCCN[C@@H]1CCCOc2ccc(C(C)C)cc21 ZINC000629529936 399638013 /nfs/dbraw/zinc/63/80/13/399638013.db2.gz QWOXLUQBBIZJNP-QGZVFWFLSA-N 1 3 306.450 2.849 20 0 DFADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)CC1 ZINC000629531410 399638083 /nfs/dbraw/zinc/63/80/83/399638083.db2.gz KDLIZZQNICXVIC-HSFUPAIVSA-N 1 3 312.498 2.702 20 0 DFADHO C[C@H](NCCOCCC[NH3+])c1ccc(F)c(Br)c1 ZINC000629534933 399639046 /nfs/dbraw/zinc/63/90/46/399639046.db2.gz CBNPSERJXBZORA-JTQLQIEISA-N 1 3 319.218 2.604 20 0 DFADHO [NH3+]CCCOCCN[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000629541906 399641134 /nfs/dbraw/zinc/64/11/34/399641134.db2.gz SZXLEWORBVVCTQ-CQSZACIVSA-N 1 3 318.339 2.528 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000423705955 296440611 /nfs/dbraw/zinc/44/06/11/296440611.db2.gz AGPAAQQVTOZXJJ-HNNXBMFYSA-N 1 3 315.461 2.797 20 0 DFADHO CC(C)[C@@H]1C[C@@H](CNC[C@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000629578349 399653602 /nfs/dbraw/zinc/65/36/02/399653602.db2.gz AWPGKMQSVNKCRP-ZWOKBUDYSA-N 1 3 316.489 2.960 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000617344514 399669947 /nfs/dbraw/zinc/66/99/47/399669947.db2.gz KOFWDKPSGHSBSK-NVXWUHKLSA-N 1 3 321.509 2.773 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000617344514 399669952 /nfs/dbraw/zinc/66/99/52/399669952.db2.gz KOFWDKPSGHSBSK-NVXWUHKLSA-N 1 3 321.509 2.773 20 0 DFADHO FC(F)(F)C1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000629550587 399645165 /nfs/dbraw/zinc/64/51/65/399645165.db2.gz NXUHKZQFRDHDGL-MGPQQGTHSA-N 1 3 320.399 2.856 20 0 DFADHO c1c(CNC2CCC3(CCCCC3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000629549608 399645473 /nfs/dbraw/zinc/64/54/73/399645473.db2.gz KEGVJNWMCZKLAD-QGZVFWFLSA-N 1 3 317.481 2.795 20 0 DFADHO CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629553787 399647041 /nfs/dbraw/zinc/64/70/41/399647041.db2.gz XSLBHVPFHCNLPA-OAGGEKHMSA-N 1 3 305.470 2.507 20 0 DFADHO CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629553788 399647159 /nfs/dbraw/zinc/64/71/59/399647159.db2.gz XSLBHVPFHCNLPA-XHSDSOJGSA-N 1 3 305.470 2.507 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556501 399647896 /nfs/dbraw/zinc/64/78/96/399647896.db2.gz RAZUDFLRQPVIIO-PJODQICGSA-N 1 3 321.852 2.706 20 0 DFADHO Cc1ccc(SC[C@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000629573852 399651948 /nfs/dbraw/zinc/65/19/48/399651948.db2.gz CIFJBWMEDHEPPK-HOTGVXAUSA-N 1 3 308.491 2.522 20 0 DFADHO C[NH2+]CCOCCN(C)[C@@H](C)c1cccc(Br)c1 ZINC000629572226 399652550 /nfs/dbraw/zinc/65/25/50/399652550.db2.gz OVKNWPHRTRBOBM-LBPRGKRZSA-N 1 3 315.255 2.678 20 0 DFADHO c1cnn(CCN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000262024266 257256635 /nfs/dbraw/zinc/25/66/35/257256635.db2.gz ZIESKBSNTUVSPH-MRXNPFEDSA-N 1 3 316.474 2.589 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN[C@@H](C(C)C)C2)cc1 ZINC000621150772 399699106 /nfs/dbraw/zinc/69/91/06/399699106.db2.gz MVKHCNPIOSSTMO-GOSISDBHSA-N 1 3 317.477 2.598 20 0 DFADHO CN1CCN(Cc2ccccc2-c2ccc(CC[NH3+])cc2)CC1 ZINC000629735319 399707588 /nfs/dbraw/zinc/70/75/88/399707588.db2.gz QXKUOUGHQKCTIU-UHFFFAOYSA-N 1 3 309.457 2.602 20 0 DFADHO C[C@H](N[C@H]1C[C@H](C)N(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000090115644 542534405 /nfs/dbraw/zinc/53/44/05/542534405.db2.gz NXNNTTXMVRLIMR-MPGHIAIKSA-N 1 3 315.461 2.500 20 0 DFADHO Cc1ncc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)s1 ZINC000090405916 542535966 /nfs/dbraw/zinc/53/59/66/542535966.db2.gz CYYUKFPANFZEOF-MCIONIFRSA-N 1 3 311.495 2.992 20 0 DFADHO CC(C)c1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617503426 399720704 /nfs/dbraw/zinc/72/07/04/399720704.db2.gz ILXHYJZDNDQART-INIZCTEOSA-N 1 3 319.493 2.812 20 0 DFADHO CC(C)c1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617503426 399720706 /nfs/dbraw/zinc/72/07/06/399720706.db2.gz ILXHYJZDNDQART-INIZCTEOSA-N 1 3 319.493 2.812 20 0 DFADHO C[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H](N)c1ccccc1 ZINC000423745446 296443093 /nfs/dbraw/zinc/44/30/93/296443093.db2.gz MRVIIFVNJVZQFQ-OBHHBEAMSA-N 1 3 317.477 2.559 20 0 DFADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000119618181 542574081 /nfs/dbraw/zinc/57/40/81/542574081.db2.gz QYFFWJNLJRMYNQ-QGZVFWFLSA-N 1 3 317.477 2.738 20 0 DFADHO C[C@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@H](N)c1ccccc1 ZINC000423761370 296444689 /nfs/dbraw/zinc/44/46/89/296444689.db2.gz OLUPTXUQRQLIKL-MPGHIAIKSA-N 1 3 317.477 2.511 20 0 DFADHO O[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)CN1CCCC1 ZINC000298222287 285356820 /nfs/dbraw/zinc/35/68/20/285356820.db2.gz SHNHMDXQRJJZHO-SJORKVTESA-N 1 3 308.853 2.837 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348115504 285359058 /nfs/dbraw/zinc/35/90/58/285359058.db2.gz HVPPBCLFNLSXPJ-RDBSUJKOSA-N 1 3 308.388 2.806 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348115501 285359094 /nfs/dbraw/zinc/35/90/94/285359094.db2.gz HVPPBCLFNLSXPJ-HZSPNIEDSA-N 1 3 308.388 2.806 20 0 DFADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H](O)c1ccccc1 ZINC000297369855 533339029 /nfs/dbraw/zinc/33/90/29/533339029.db2.gz HNUYKUPLDHCYGL-DNVCBOLYSA-N 1 3 311.429 2.762 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294948150 533409772 /nfs/dbraw/zinc/40/97/72/533409772.db2.gz HKZXDUISNHEZTP-UNPWZGGWSA-N 1 3 315.461 2.643 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294948150 533409777 /nfs/dbraw/zinc/40/97/77/533409777.db2.gz HKZXDUISNHEZTP-UNPWZGGWSA-N 1 3 315.461 2.643 20 0 DFADHO COc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1OC(F)F ZINC000316671830 533515484 /nfs/dbraw/zinc/51/54/84/533515484.db2.gz VPDHDKDYILKULS-WCQYABFASA-N 1 3 314.376 2.869 20 0 DFADHO Cc1cc(CN2CCC(OCCC[NH3+])CC2)c2ccccc2n1 ZINC000322283747 533597110 /nfs/dbraw/zinc/59/71/10/533597110.db2.gz RWKRPTPFYCYFDK-UHFFFAOYSA-N 1 3 313.445 2.873 20 0 DFADHO C[C@@H](CCCO)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000296589197 533561023 /nfs/dbraw/zinc/56/10/23/533561023.db2.gz UWGOHVGTNDQFDR-HOTGVXAUSA-N 1 3 308.466 2.686 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)CCN1C ZINC000309746993 533649699 /nfs/dbraw/zinc/64/96/99/533649699.db2.gz UTIRFYZKEUABCP-YZGWKJHDSA-N 1 3 315.505 2.971 20 0 DFADHO CCC[NH+]1CCC(N[C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000123743632 542594106 /nfs/dbraw/zinc/59/41/06/542594106.db2.gz VWVIBTKJDSDRFA-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]([NH2+]CCN1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272442925 130031126 /nfs/dbraw/zinc/03/11/26/130031126.db2.gz ITYHTARTBMEXLV-AZUAARDMSA-N 1 3 315.505 2.973 20 0 DFADHO CCCN1CCC([NH2+][C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000128820313 542620651 /nfs/dbraw/zinc/62/06/51/542620651.db2.gz JEPIWDODQAKPLL-IBGZPJMESA-N 1 3 303.494 2.623 20 0 DFADHO CCC[NH+]1CCC(N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000128820313 542620655 /nfs/dbraw/zinc/62/06/55/542620655.db2.gz JEPIWDODQAKPLL-IBGZPJMESA-N 1 3 303.494 2.623 20 0 DFADHO C[C@@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)N1CCCCCC1 ZINC000423967439 296469597 /nfs/dbraw/zinc/46/95/97/296469597.db2.gz JJMWFKARQZPILE-FUHWJXTLSA-N 1 3 317.477 2.847 20 0 DFADHO COc1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000309664803 533672191 /nfs/dbraw/zinc/67/21/91/533672191.db2.gz OOQJYIWJTIHUFM-GOSISDBHSA-N 1 3 311.429 2.702 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000172243016 542758538 /nfs/dbraw/zinc/75/85/38/542758538.db2.gz FFJKDNPLMICDQL-WMZOPIPTSA-N 1 3 321.509 2.630 20 0 DFADHO CN(C)C[C@H]1CCCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424197654 296492431 /nfs/dbraw/zinc/49/24/31/296492431.db2.gz WPNBTQVYCAYDHQ-IAGOWNOFSA-N 1 3 309.498 2.617 20 0 DFADHO COc1cccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000192674772 542853272 /nfs/dbraw/zinc/85/32/72/542853272.db2.gz HYTRHRRCPQDOCQ-GASCZTMLSA-N 1 3 324.440 2.813 20 0 DFADHO CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000236720110 542897019 /nfs/dbraw/zinc/89/70/19/542897019.db2.gz FLEVQMCMKULAAS-ZWKOTPCHSA-N 1 3 317.477 2.531 20 0 DFADHO N[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000424363921 296504963 /nfs/dbraw/zinc/50/49/63/296504963.db2.gz CHIBOUQSZHGANG-RTBURBONSA-N 1 3 319.468 2.692 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN(C)C)c1C ZINC000293770344 543021739 /nfs/dbraw/zinc/02/17/39/543021739.db2.gz SPCQCNORGXDVMK-DZGCQCFKSA-N 1 3 305.466 2.808 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NC[C@H](C)C[NH+](C)C)c1C ZINC000293770344 543021744 /nfs/dbraw/zinc/02/17/44/543021744.db2.gz SPCQCNORGXDVMK-DZGCQCFKSA-N 1 3 305.466 2.808 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1cccc(OCCN(C)C)c1 ZINC000348691345 285643738 /nfs/dbraw/zinc/64/37/38/285643738.db2.gz CFPHXZFUGRCQLR-SNRMKQJTSA-N 1 3 320.477 2.971 20 0 DFADHO CC1(C)CCC(O)(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000320945656 543084017 /nfs/dbraw/zinc/08/40/17/543084017.db2.gz MBWGPUWHIIXNKH-UHFFFAOYSA-N 1 3 317.477 2.971 20 0 DFADHO c1nn(-c2ccccc2)cc1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070075 543139361 /nfs/dbraw/zinc/13/93/61/543139361.db2.gz WDQYRIPPTSVXSI-HKUYNNGSSA-N 1 3 310.445 2.631 20 0 DFADHO c1nn(-c2ccccc2)cc1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070075 543139365 /nfs/dbraw/zinc/13/93/65/543139365.db2.gz WDQYRIPPTSVXSI-HKUYNNGSSA-N 1 3 310.445 2.631 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000348081056 543183194 /nfs/dbraw/zinc/18/31/94/543183194.db2.gz HXWBSKQTULKZPS-VQTJNVASSA-N 1 3 313.489 2.712 20 0 DFADHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348103437 543183358 /nfs/dbraw/zinc/18/33/58/543183358.db2.gz BUPZXPQDHVYTHO-PMACEKPBSA-N 1 3 314.473 2.922 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@](C)(CO)Cc2ccccc2)[C@H](C)C1 ZINC000358057144 543265395 /nfs/dbraw/zinc/26/53/95/543265395.db2.gz PFGZRODBBOXSJG-NZSAHSFTSA-N 1 3 304.478 2.548 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@](C)(CO)Cc2ccccc2)[C@H](C)C1 ZINC000358057144 543265398 /nfs/dbraw/zinc/26/53/98/543265398.db2.gz PFGZRODBBOXSJG-NZSAHSFTSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)[C@@H](O)CC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000165399961 145230824 /nfs/dbraw/zinc/23/08/24/145230824.db2.gz VSMLWOOKLWWWGN-QAPCUYQASA-N 1 3 308.466 2.685 20 0 DFADHO C[C@H](CC(=O)N1CCN(CCC(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000165701498 145231492 /nfs/dbraw/zinc/23/14/92/145231492.db2.gz GITDDJPZMNKAGJ-SJORKVTESA-N 1 3 323.525 2.593 20 0 DFADHO CC[NH+]1CCC(CNCc2c(OC)cc(F)cc2OC)CC1 ZINC000631064384 399972536 /nfs/dbraw/zinc/97/25/36/399972536.db2.gz RQSJCWZDWUCONL-UHFFFAOYSA-N 1 3 310.413 2.664 20 0 DFADHO CC[NH+]1CCC(CCNCc2cnc(CCOC)s2)CC1 ZINC000631080101 399976574 /nfs/dbraw/zinc/97/65/74/399976574.db2.gz WMWBNMYWNVMOJQ-UHFFFAOYSA-N 1 3 311.495 2.544 20 0 DFADHO CCC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(C)ccn1 ZINC000631565846 400051710 /nfs/dbraw/zinc/05/17/10/400051710.db2.gz JLVNQRYMXRVADL-SFHVURJKSA-N 1 3 318.509 2.848 20 0 DFADHO COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000631566137 400052170 /nfs/dbraw/zinc/05/21/70/400052170.db2.gz LQYCFQYJOHRDAV-YOEHRIQHSA-N 1 3 316.445 2.983 20 0 DFADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631601751 400057250 /nfs/dbraw/zinc/05/72/50/400057250.db2.gz VKJGFHHWQLKSBM-OWSLCNJRSA-N 1 3 306.494 2.902 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000631661627 400063506 /nfs/dbraw/zinc/06/35/06/400063506.db2.gz AMRKBJGQDQGLIO-JYBIWHBTSA-N 1 3 315.505 2.827 20 0 DFADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000631698844 400068142 /nfs/dbraw/zinc/06/81/42/400068142.db2.gz BOMYWLKALCBCPT-BSXFFOKHSA-N 1 3 306.450 2.844 20 0 DFADHO C[C@H]1CN(Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC000631839628 400078926 /nfs/dbraw/zinc/07/89/26/400078926.db2.gz IQJIPHINFOBDGT-RDJZCZTQSA-N 1 3 311.429 2.687 20 0 DFADHO C[C@@H](NCCOCC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000231786820 146017039 /nfs/dbraw/zinc/01/70/39/146017039.db2.gz CUHXLYQTPRVGHS-GFCCVEGCSA-N 1 3 304.356 2.934 20 0 DFADHO C[C@H](CNC[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000236707115 146024607 /nfs/dbraw/zinc/02/46/07/146024607.db2.gz MTCPDAVQBAPUGD-QAPCUYQASA-N 1 3 308.441 2.612 20 0 DFADHO CCCC[C@@H](N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000236733256 146025738 /nfs/dbraw/zinc/02/57/38/146025738.db2.gz WUXZOTDWEKEAJX-GOEBONIOSA-N 1 3 305.466 2.750 20 0 DFADHO CCCC[C@H](N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000236799277 146027718 /nfs/dbraw/zinc/02/77/18/146027718.db2.gz RRXKFJYCNRIYSC-RDJZCZTQSA-N 1 3 305.466 2.531 20 0 DFADHO CCCC[C@H](N)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236799277 146027723 /nfs/dbraw/zinc/02/77/23/146027723.db2.gz RRXKFJYCNRIYSC-RDJZCZTQSA-N 1 3 305.466 2.531 20 0 DFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(C)CCCCN2)C1 ZINC000237053391 146036394 /nfs/dbraw/zinc/03/63/94/146036394.db2.gz RFCSKJMOFFVCGJ-MAUKXSAKSA-N 1 3 309.498 2.535 20 0 DFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(C)CCCCN2)C1 ZINC000237053391 146036397 /nfs/dbraw/zinc/03/63/97/146036397.db2.gz RFCSKJMOFFVCGJ-MAUKXSAKSA-N 1 3 309.498 2.535 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000245202295 146063093 /nfs/dbraw/zinc/06/30/93/146063093.db2.gz QVSXJFQPMQSJNB-QAETUUGQSA-N 1 3 311.514 2.874 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000245569294 146085703 /nfs/dbraw/zinc/08/57/03/146085703.db2.gz AMBRRVRRIJRYSO-AQNCSGRASA-N 1 3 323.431 2.782 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000245569294 146085706 /nfs/dbraw/zinc/08/57/06/146085706.db2.gz AMBRRVRRIJRYSO-AQNCSGRASA-N 1 3 323.431 2.782 20 0 DFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC000246754150 146155666 /nfs/dbraw/zinc/15/56/66/146155666.db2.gz GAFYSYDFSYTJDD-HOTGVXAUSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC000246754150 146155668 /nfs/dbraw/zinc/15/56/68/146155668.db2.gz GAFYSYDFSYTJDD-HOTGVXAUSA-N 1 3 317.477 2.598 20 0 DFADHO O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000249038464 146184624 /nfs/dbraw/zinc/18/46/24/146184624.db2.gz GKESKQXWQQGAHL-UHZRXMQZSA-N 1 3 314.473 2.648 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CN1C1CC1 ZINC000249099390 146187016 /nfs/dbraw/zinc/18/70/16/146187016.db2.gz NGPJGKFKVHNQNT-BHIYHBOVSA-N 1 3 313.489 2.723 20 0 DFADHO CC[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccsc1 ZINC000453120319 543371007 /nfs/dbraw/zinc/37/10/07/543371007.db2.gz WLFYGTWOGPMJFB-INIZCTEOSA-N 1 3 323.506 2.732 20 0 DFADHO C[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000249764198 146205779 /nfs/dbraw/zinc/20/57/79/146205779.db2.gz YGZBOKXTWWVPAX-BZUAXINKSA-N 1 3 309.498 2.628 20 0 DFADHO C[C@]1(CN(Cc2ccccc2)CC2CCOCC2)CC[NH2+]C1 ZINC000261684015 146259124 /nfs/dbraw/zinc/25/91/24/146259124.db2.gz ANGVLLPQDNYDPC-IBGZPJMESA-N 1 3 302.462 2.915 20 0 DFADHO CC[C@@H](c1ccc(Cl)cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261773583 146275110 /nfs/dbraw/zinc/27/51/10/146275110.db2.gz WEQJVOCDZYSSLM-IRXDYDNUSA-N 1 3 307.869 2.771 20 0 DFADHO CCOc1ccc(OCCN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000261781924 146275619 /nfs/dbraw/zinc/27/56/19/146275619.db2.gz RYUPKVQAHWGCPL-IBGZPJMESA-N 1 3 318.461 2.928 20 0 DFADHO CCCOc1ccc(OCCN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261816886 146281492 /nfs/dbraw/zinc/28/14/92/146281492.db2.gz GZBZZOFBMVFKEQ-SNRMKQJTSA-N 1 3 318.461 2.913 20 0 DFADHO C[C@]1(CN2CCC(CN3CCc4ccccc43)CC2)CC[NH2+]C1 ZINC000261913215 146300181 /nfs/dbraw/zinc/30/01/81/146300181.db2.gz YVYLNMCTKUEKFM-FQEVSTJZSA-N 1 3 313.489 2.761 20 0 DFADHO CCOc1cc(CN2CCC(C[NH3+])CC2)ccc1OC(F)F ZINC000261943828 146307809 /nfs/dbraw/zinc/30/78/09/146307809.db2.gz LWHLDYLJLUVWNF-UHFFFAOYSA-N 1 3 314.376 2.857 20 0 DFADHO C[NH2+]CCC1CCN(Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000261991304 146317935 /nfs/dbraw/zinc/31/79/35/146317935.db2.gz SJYHJWZBYNADBH-UHFFFAOYSA-N 1 3 304.482 2.748 20 0 DFADHO COc1ccc2nc(CN3CCC[C@@H](CC[NH3+])C3)sc2c1 ZINC000262005164 146321071 /nfs/dbraw/zinc/32/10/71/146321071.db2.gz UNDGBUNMQKZDJQ-LBPRGKRZSA-N 1 3 305.447 2.866 20 0 DFADHO Fc1ccc(OCCN2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000262102675 146332841 /nfs/dbraw/zinc/33/28/41/146332841.db2.gz JCUAHNAMJRWBDX-UHFFFAOYSA-N 1 3 312.816 2.933 20 0 DFADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@@H](C)CCN2)c1 ZINC000262518124 146367009 /nfs/dbraw/zinc/36/70/09/146367009.db2.gz NTLCVYFHLJJCRI-YOEHRIQHSA-N 1 3 303.450 2.855 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N1CCCCC1 ZINC000354661318 147107793 /nfs/dbraw/zinc/10/77/93/147107793.db2.gz NTXMIMSYLQDTHO-OKZBNKHCSA-N 1 3 323.525 2.876 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N1CCCCC1 ZINC000354661318 147107797 /nfs/dbraw/zinc/10/77/97/147107797.db2.gz NTXMIMSYLQDTHO-OKZBNKHCSA-N 1 3 323.525 2.876 20 0 DFADHO CC(C)[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000354814128 147160898 /nfs/dbraw/zinc/16/08/98/147160898.db2.gz FBFIGJPLMNGZRF-QZTJIDSGSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000354814128 147160899 /nfs/dbraw/zinc/16/08/99/147160899.db2.gz FBFIGJPLMNGZRF-QZTJIDSGSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000355213567 147225070 /nfs/dbraw/zinc/22/50/70/147225070.db2.gz FKGMNOPPAKKVNG-YVWKXTFCSA-N 1 3 313.489 2.581 20 0 DFADHO COC[C@H](CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000585094106 543460097 /nfs/dbraw/zinc/46/00/97/543460097.db2.gz BJGTVVOVIZOGFM-NEWSRXKRSA-N 1 3 320.477 2.633 20 0 DFADHO COC[C@H](CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000585094106 543460099 /nfs/dbraw/zinc/46/00/99/543460099.db2.gz BJGTVVOVIZOGFM-NEWSRXKRSA-N 1 3 320.477 2.633 20 0 DFADHO CC[NH+](CC)CC1CCN(Cc2cnc3ccccn23)CC1 ZINC000350150380 286011542 /nfs/dbraw/zinc/01/15/42/286011542.db2.gz WDXPMSIFQDYMOP-UHFFFAOYSA-N 1 3 300.450 2.888 20 0 DFADHO COC[C@@H](CC(C)C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000357840985 148145069 /nfs/dbraw/zinc/14/50/69/148145069.db2.gz OBGODWHYIQRMTF-QGZVFWFLSA-N 1 3 305.466 2.949 20 0 DFADHO CS[C@@H]1CCC[C@H](NCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425901898 296603712 /nfs/dbraw/zinc/60/37/12/296603712.db2.gz REDZPMRPBQKJKU-DZGCQCFKSA-N 1 3 309.479 2.905 20 0 DFADHO C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358110571 148247674 /nfs/dbraw/zinc/24/76/74/148247674.db2.gz KNCBUJHRUZGCQF-VVLHAWIVSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358110571 148247678 /nfs/dbraw/zinc/24/76/78/148247678.db2.gz KNCBUJHRUZGCQF-VVLHAWIVSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1ncc(Cl)cc1Cl ZINC000358283621 148318305 /nfs/dbraw/zinc/31/83/05/148318305.db2.gz GLVNJPFCUIWIQX-GXFFZTMASA-N 1 3 318.248 2.697 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1ncc(Cl)cc1Cl ZINC000358283621 148318307 /nfs/dbraw/zinc/31/83/07/148318307.db2.gz GLVNJPFCUIWIQX-GXFFZTMASA-N 1 3 318.248 2.697 20 0 DFADHO Cc1ccc(NC(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000358502023 148379508 /nfs/dbraw/zinc/37/95/08/148379508.db2.gz UQXSWOPLCRIMTQ-CQSZACIVSA-N 1 3 319.424 2.537 20 0 DFADHO [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccc(Oc3cnccn3)cc1)C2 ZINC000650709110 543512547 /nfs/dbraw/zinc/51/25/47/543512547.db2.gz BXWLOAPMBSQPAI-LPHOPBHVSA-N 1 3 324.428 2.830 20 0 DFADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1ccc(Oc3cnccn3)cc1)C2 ZINC000650709110 543512552 /nfs/dbraw/zinc/51/25/52/543512552.db2.gz BXWLOAPMBSQPAI-LPHOPBHVSA-N 1 3 324.428 2.830 20 0 DFADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(Oc3cnccn3)cc1)C2 ZINC000650709110 543512556 /nfs/dbraw/zinc/51/25/56/543512556.db2.gz BXWLOAPMBSQPAI-LPHOPBHVSA-N 1 3 324.428 2.830 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]CCN2CCCC2)CCN1Cc1ccccc1 ZINC000361345140 149092131 /nfs/dbraw/zinc/09/21/31/149092131.db2.gz YCOYGDSWPOQKAV-HKUYNNGSSA-N 1 3 301.478 2.725 20 0 DFADHO C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N(C)C ZINC000361419681 149109657 /nfs/dbraw/zinc/10/96/57/149109657.db2.gz GLBOTTQYLKHEDJ-UXDRXVOSSA-N 1 3 301.478 2.722 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000361482702 149126688 /nfs/dbraw/zinc/12/66/88/149126688.db2.gz YNMRYZJUIQADCK-QRQLOZEOSA-N 1 3 301.478 2.581 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000361710354 149198755 /nfs/dbraw/zinc/19/87/55/149198755.db2.gz IOMWJEKTQSGNFC-KBXCAEBGSA-N 1 3 315.461 2.545 20 0 DFADHO Cc1nn(C(C)C)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000361887207 149247059 /nfs/dbraw/zinc/24/70/59/149247059.db2.gz CUKNFTYJIMMOEH-HZPDHXFCSA-N 1 3 322.497 2.751 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OCC(F)(F)F)cc3)C[C@H]12 ZINC000351482086 286131488 /nfs/dbraw/zinc/13/14/88/286131488.db2.gz YRPTZAOEFDLTAL-VHDGCEQUSA-N 1 3 314.351 2.797 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]12 ZINC000351482085 286131546 /nfs/dbraw/zinc/13/15/46/286131546.db2.gz YRPTZAOEFDLTAL-NWANDNLSSA-N 1 3 314.351 2.797 20 0 DFADHO C[N@H+](C[C@H](O)CN1CCCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000351493279 286134732 /nfs/dbraw/zinc/13/47/32/286134732.db2.gz VFPPJOVIDRKTLQ-MOPGFXCFSA-N 1 3 302.462 2.539 20 0 DFADHO C[N@@H+](C[C@H](O)CN1CCCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000351493279 286134733 /nfs/dbraw/zinc/13/47/33/286134733.db2.gz VFPPJOVIDRKTLQ-MOPGFXCFSA-N 1 3 302.462 2.539 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000371363459 150031619 /nfs/dbraw/zinc/03/16/19/150031619.db2.gz FDRRPLDZNVKHRK-QGZVFWFLSA-N 1 3 320.456 2.607 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000371363459 150031623 /nfs/dbraw/zinc/03/16/23/150031623.db2.gz FDRRPLDZNVKHRK-QGZVFWFLSA-N 1 3 320.456 2.607 20 0 DFADHO Cc1noc(C2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)n1 ZINC000371449760 150049314 /nfs/dbraw/zinc/04/93/14/150049314.db2.gz XAUJUIISCPFAMS-QDIHITRGSA-N 1 3 304.438 2.621 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000371879690 150108210 /nfs/dbraw/zinc/10/82/10/150108210.db2.gz JYQFKQQGLIZVAK-IRXDYDNUSA-N 1 3 315.461 2.870 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000371879690 150108214 /nfs/dbraw/zinc/10/82/14/150108214.db2.gz JYQFKQQGLIZVAK-IRXDYDNUSA-N 1 3 315.461 2.870 20 0 DFADHO CCc1nccn1[C@@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351598737 286164592 /nfs/dbraw/zinc/16/45/92/286164592.db2.gz VEUDYCGZIWBMIS-DLBZAZTESA-N 1 3 304.482 2.957 20 0 DFADHO CCc1nccn1[C@@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351598737 286164595 /nfs/dbraw/zinc/16/45/95/286164595.db2.gz VEUDYCGZIWBMIS-DLBZAZTESA-N 1 3 304.482 2.957 20 0 DFADHO CCc1nccn1[C@@H]1CCC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000351598737 286164597 /nfs/dbraw/zinc/16/45/97/286164597.db2.gz VEUDYCGZIWBMIS-DLBZAZTESA-N 1 3 304.482 2.957 20 0 DFADHO CCc1nccn1[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000351598737 286164601 /nfs/dbraw/zinc/16/46/01/286164601.db2.gz VEUDYCGZIWBMIS-DLBZAZTESA-N 1 3 304.482 2.957 20 0 DFADHO C[N@H+](C[C@@H]1CC12CCN(CCC(=O)OC(C)(C)C)CC2)C1CC1 ZINC000372842072 150191114 /nfs/dbraw/zinc/19/11/14/150191114.db2.gz NTWNNQSTRGOOHD-HNNXBMFYSA-N 1 3 322.493 2.915 20 0 DFADHO C[N@@H+](C[C@@H]1CC12CCN(CCC(=O)OC(C)(C)C)CC2)C1CC1 ZINC000372842072 150191116 /nfs/dbraw/zinc/19/11/16/150191116.db2.gz NTWNNQSTRGOOHD-HNNXBMFYSA-N 1 3 322.493 2.915 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000372904317 150199152 /nfs/dbraw/zinc/19/91/52/150199152.db2.gz JLJHZFPISRZIRB-OAHLLOKOSA-N 1 3 303.450 2.775 20 0 DFADHO C[C@@H](CCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000373912654 150277301 /nfs/dbraw/zinc/27/73/01/150277301.db2.gz QMEKZUMRJYOCAL-AZUAARDMSA-N 1 3 315.505 2.892 20 0 DFADHO C[C@@H](CCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000373912654 150277304 /nfs/dbraw/zinc/27/73/04/150277304.db2.gz QMEKZUMRJYOCAL-AZUAARDMSA-N 1 3 315.505 2.892 20 0 DFADHO C[C@H](CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000374420429 150364787 /nfs/dbraw/zinc/36/47/87/150364787.db2.gz LIKWEUJURPMMCN-QXCFHYIPSA-N 1 3 302.462 2.974 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000351686742 286193300 /nfs/dbraw/zinc/19/33/00/286193300.db2.gz LIWTXXNEYNUCHS-INIZCTEOSA-N 1 3 312.461 2.861 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000351686742 286193302 /nfs/dbraw/zinc/19/33/02/286193302.db2.gz LIWTXXNEYNUCHS-INIZCTEOSA-N 1 3 312.461 2.861 20 0 DFADHO C[N@H+](C[C@H](O)CNC1(c2ccccc2)CCCCC1)C1CC1 ZINC000351713400 286200559 /nfs/dbraw/zinc/20/05/59/286200559.db2.gz UJYRMQSSWFUGDQ-GOSISDBHSA-N 1 3 302.462 2.891 20 0 DFADHO C[N@@H+](C[C@H](O)CNC1(c2ccccc2)CCCCC1)C1CC1 ZINC000351713400 286200563 /nfs/dbraw/zinc/20/05/63/286200563.db2.gz UJYRMQSSWFUGDQ-GOSISDBHSA-N 1 3 302.462 2.891 20 0 DFADHO CC[C@H](C)CCC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000351805889 286222619 /nfs/dbraw/zinc/22/26/19/286222619.db2.gz DCEIUHOCQSGYGR-DLBZAZTESA-N 1 3 311.514 2.687 20 0 DFADHO CC[C@H](C)CCC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000351805889 286222621 /nfs/dbraw/zinc/22/26/21/286222621.db2.gz DCEIUHOCQSGYGR-DLBZAZTESA-N 1 3 311.514 2.687 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)N2CCCC2)o1 ZINC000360897397 292256310 /nfs/dbraw/zinc/25/63/10/292256310.db2.gz MJRKKOJOPLBJTH-PVAVHDDUSA-N 1 3 305.466 2.655 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)N2CCCC2)o1 ZINC000360897397 292256312 /nfs/dbraw/zinc/25/63/12/292256312.db2.gz MJRKKOJOPLBJTH-PVAVHDDUSA-N 1 3 305.466 2.655 20 0 DFADHO Cc1ccc([C@H](C[NH2+][C@H]2CCN(C)C[C@H]2C)N2CCCC2)o1 ZINC000360897397 292256314 /nfs/dbraw/zinc/25/63/14/292256314.db2.gz MJRKKOJOPLBJTH-PVAVHDDUSA-N 1 3 305.466 2.655 20 0 DFADHO C[C@@H]1CC[C@@H](c2ccccc2)N(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000352115681 286296261 /nfs/dbraw/zinc/29/62/61/286296261.db2.gz NLYUYNONRPPFLV-LZQZEXGQSA-N 1 3 302.462 2.915 20 0 DFADHO C[C@@H]1CC[C@@H](c2ccccc2)N(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352115681 286296263 /nfs/dbraw/zinc/29/62/63/286296263.db2.gz NLYUYNONRPPFLV-LZQZEXGQSA-N 1 3 302.462 2.915 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C12CCC2 ZINC000245827805 286385484 /nfs/dbraw/zinc/38/54/84/286385484.db2.gz BDUDBXYGHWVGAU-ZJPYXAASSA-N 1 3 324.509 2.813 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C12CCC2 ZINC000245827796 286385591 /nfs/dbraw/zinc/38/55/91/286385591.db2.gz BDUDBXYGHWVGAU-XLAORIBOSA-N 1 3 324.509 2.813 20 0 DFADHO CCC[C@](C)(N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000353090102 286548731 /nfs/dbraw/zinc/54/87/31/286548731.db2.gz RYFZSGPUYGCPDX-IBGZPJMESA-N 1 3 317.477 2.806 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353336042 286616772 /nfs/dbraw/zinc/61/67/72/286616772.db2.gz LAXCXDFNRUPBQF-GOSISDBHSA-N 1 3 322.472 2.535 20 0 DFADHO CC[C@@H](O)CN1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000185310354 158053253 /nfs/dbraw/zinc/05/32/53/158053253.db2.gz SKILEZHFDHLYHG-MRXNPFEDSA-N 1 3 313.445 2.745 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000247164510 158121206 /nfs/dbraw/zinc/12/12/06/158121206.db2.gz UJYCAYGLJDXIBS-BBRMVZONSA-N 1 3 316.424 2.892 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000247164510 158121209 /nfs/dbraw/zinc/12/12/09/158121209.db2.gz UJYCAYGLJDXIBS-BBRMVZONSA-N 1 3 316.424 2.892 20 0 DFADHO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1F ZINC000247164510 158121211 /nfs/dbraw/zinc/12/12/11/158121211.db2.gz UJYCAYGLJDXIBS-BBRMVZONSA-N 1 3 316.424 2.892 20 0 DFADHO CCOc1ccc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)cc1OC ZINC000247227200 158123258 /nfs/dbraw/zinc/12/32/58/158123258.db2.gz WPJMMBJIZJLZQT-HOCLYGCPSA-N 1 3 306.450 2.914 20 0 DFADHO COCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248401880 158172867 /nfs/dbraw/zinc/17/28/67/158172867.db2.gz MGILUHUJROSGMX-IPMKNSEASA-N 1 3 302.462 2.913 20 0 DFADHO C[C@H](O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248406450 158173670 /nfs/dbraw/zinc/17/36/70/158173670.db2.gz SJVOZGCFDJLRJE-GDAAHCPNSA-N 1 3 302.462 2.648 20 0 DFADHO COC(C)(C)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248419413 158175060 /nfs/dbraw/zinc/17/50/60/158175060.db2.gz VBDSXHNZKJDUCY-KZNAEPCWSA-N 1 3 302.462 2.912 20 0 DFADHO OCCCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248751055 158200219 /nfs/dbraw/zinc/20/02/19/158200219.db2.gz OMBFXQFRLQQCBP-GUDVDZBRSA-N 1 3 302.462 2.649 20 0 DFADHO OCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248819662 158202337 /nfs/dbraw/zinc/20/23/37/158202337.db2.gz WIJMHSOQMFLVGN-GBESFXJTSA-N 1 3 302.462 2.649 20 0 DFADHO CC(=O)NCCc1ccc([C@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000356696498 158311192 /nfs/dbraw/zinc/31/11/92/158311192.db2.gz MOXRSYQILQHZRY-INIZCTEOSA-N 1 3 317.477 2.502 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccccc1CCN(C)C ZINC000356873536 158319516 /nfs/dbraw/zinc/31/95/16/158319516.db2.gz RITLVRVXITZQIL-QGZVFWFLSA-N 1 3 305.466 2.896 20 0 DFADHO c1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)n(-c2ccccc2)n1 ZINC000357046127 158356259 /nfs/dbraw/zinc/35/62/59/158356259.db2.gz INOQGCCADXGNBT-KRWDZBQOSA-N 1 3 310.445 2.694 20 0 DFADHO c1cc(-c2n[nH]cc2CN2CCC([C@H]3CC[NH2+]C3)CC2)cs1 ZINC000357057072 158358114 /nfs/dbraw/zinc/35/81/14/158358114.db2.gz UCLNRUWCDSWFEL-AWEZNQCLSA-N 1 3 316.474 2.960 20 0 DFADHO C[C@@H]1CN(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000358390149 158376628 /nfs/dbraw/zinc/37/66/28/158376628.db2.gz XOPLJXVGRPLAQN-MNIJEXPFSA-N 1 3 313.489 2.722 20 0 DFADHO C[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N1CCCCCC1 ZINC000074590434 286749705 /nfs/dbraw/zinc/74/97/05/286749705.db2.gz OYQLBGVFTPSTNL-ROUUACIJSA-N 1 3 321.509 2.728 20 0 DFADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCNC1 ZINC000132093812 196225724 /nfs/dbraw/zinc/22/57/24/196225724.db2.gz CFQPNFVOIAFCOI-GXTWGEPZSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H](Cc1ccc(Br)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000132093812 196225726 /nfs/dbraw/zinc/22/57/26/196225726.db2.gz CFQPNFVOIAFCOI-GXTWGEPZSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(F)c1 ZINC000133090779 196310471 /nfs/dbraw/zinc/31/04/71/196310471.db2.gz FEHNJTWVTSABNZ-CABCVRRESA-N 1 3 306.425 2.977 20 0 DFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000133092623 196311243 /nfs/dbraw/zinc/31/12/43/196311243.db2.gz LLQYDUHVQDMVGE-GJZGRUSLSA-N 1 3 306.425 2.977 20 0 DFADHO CCc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H](C)C2)N(C)C)cc1 ZINC000133806945 196337229 /nfs/dbraw/zinc/33/72/29/196337229.db2.gz JJVUHZVLMHHSTC-LZQZEXGQSA-N 1 3 303.494 2.924 20 0 DFADHO CCc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000133806945 196337231 /nfs/dbraw/zinc/33/72/31/196337231.db2.gz JJVUHZVLMHHSTC-LZQZEXGQSA-N 1 3 303.494 2.924 20 0 DFADHO CCc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000133806945 196337232 /nfs/dbraw/zinc/33/72/32/196337232.db2.gz JJVUHZVLMHHSTC-LZQZEXGQSA-N 1 3 303.494 2.924 20 0 DFADHO C[C@@H](CNC(=O)c1ccccc1CN(C)C)C[NH+]1CCCCC1 ZINC000433302797 296905348 /nfs/dbraw/zinc/90/53/48/296905348.db2.gz JMMTVPDMAIFOGH-INIZCTEOSA-N 1 3 317.477 2.600 20 0 DFADHO c1ccc(CC[N@@H+]2CC[C@H](CN[C@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000667835058 543688891 /nfs/dbraw/zinc/68/88/91/543688891.db2.gz HKRMOLYWKIMIKW-RLLQIKCJSA-N 1 3 314.473 2.708 20 0 DFADHO c1ccc(CC[N@H+]2CC[C@H](CN[C@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000667835058 543688892 /nfs/dbraw/zinc/68/88/92/543688892.db2.gz HKRMOLYWKIMIKW-RLLQIKCJSA-N 1 3 314.473 2.708 20 0 DFADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667834682 543689044 /nfs/dbraw/zinc/68/90/44/543689044.db2.gz ZMLCSQOSYKKVGJ-IEBWSBKVSA-N 1 3 318.461 2.674 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)Nc2cccc(CN)c2)CC1 ZINC000667728685 543668029 /nfs/dbraw/zinc/66/80/29/543668029.db2.gz XXQXEAQIRAZWMX-UHFFFAOYSA-N 1 3 304.438 2.531 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc(CN)c1 ZINC000667731272 543668725 /nfs/dbraw/zinc/66/87/25/543668725.db2.gz OWAYHPGPPJKUAQ-HNNXBMFYSA-N 1 3 318.465 2.921 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cccc(CN)c1 ZINC000667731272 543668727 /nfs/dbraw/zinc/66/87/27/543668727.db2.gz OWAYHPGPPJKUAQ-HNNXBMFYSA-N 1 3 318.465 2.921 20 0 DFADHO CN1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccccc1 ZINC000667734967 543669785 /nfs/dbraw/zinc/66/97/85/543669785.db2.gz CUIHWKRWZVHDSP-MSOLQXFVSA-N 1 3 324.428 2.712 20 0 DFADHO CN1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccccc1 ZINC000667734969 543669928 /nfs/dbraw/zinc/66/99/28/543669928.db2.gz CUIHWKRWZVHDSP-ROUUACIJSA-N 1 3 324.428 2.712 20 0 DFADHO C[C@H]1CSC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000668512830 543816825 /nfs/dbraw/zinc/81/68/25/543816825.db2.gz QHXYQVAKZFYNAR-WMLDXEAASA-N 1 3 305.491 2.635 20 0 DFADHO C[C@H]1CSC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000668512832 543816862 /nfs/dbraw/zinc/81/68/62/543816862.db2.gz QHXYQVAKZFYNAR-YOEHRIQHSA-N 1 3 305.491 2.635 20 0 DFADHO CC[C@H](COCC1CC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668458999 543809304 /nfs/dbraw/zinc/80/93/04/543809304.db2.gz OBZQFOGGJOSICJ-MRXNPFEDSA-N 1 3 303.450 2.845 20 0 DFADHO C[C@@H](O)C1(NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000668700892 543848241 /nfs/dbraw/zinc/84/82/41/543848241.db2.gz NDAIKVZOUIUAPL-JKSUJKDBSA-N 1 3 302.462 2.585 20 0 DFADHO c1ccc(CN2C[C@H](C[NH2+]C3CSC3)C3(CCC3)C2)cc1 ZINC000668713311 543851546 /nfs/dbraw/zinc/85/15/46/543851546.db2.gz MKJVPGWXINGLOF-INIZCTEOSA-N 1 3 302.487 2.994 20 0 DFADHO c1ccc(C[N@H+]2C[C@H](CNC3CSC3)C3(CCC3)C2)cc1 ZINC000668713311 543851549 /nfs/dbraw/zinc/85/15/49/543851549.db2.gz MKJVPGWXINGLOF-INIZCTEOSA-N 1 3 302.487 2.994 20 0 DFADHO c1ccc(C[N@@H+]2C[C@H](CNC3CSC3)C3(CCC3)C2)cc1 ZINC000668713311 543851551 /nfs/dbraw/zinc/85/15/51/543851551.db2.gz MKJVPGWXINGLOF-INIZCTEOSA-N 1 3 302.487 2.994 20 0 DFADHO CC(C)c1ccc(CC[NH+]2CCC(N3CC[C@H](O)C3)CC2)cc1 ZINC000668740876 543859421 /nfs/dbraw/zinc/85/94/21/543859421.db2.gz YAKFGEDISLIDMK-FQEVSTJZSA-N 1 3 316.489 2.884 20 0 DFADHO C[C@@H]1CCC[C@@H](CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000245643161 287394950 /nfs/dbraw/zinc/39/49/50/287394950.db2.gz ZGAPTDHKWBDIKK-GUDVDZBRSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1CCC[C@@H](CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000245643161 287394953 /nfs/dbraw/zinc/39/49/53/287394953.db2.gz ZGAPTDHKWBDIKK-GUDVDZBRSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@H](CCCCO)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000671302458 544066352 /nfs/dbraw/zinc/06/63/52/544066352.db2.gz AFDDRYNKVZVARF-MRXNPFEDSA-N 1 3 320.477 2.800 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CCCCC[C@H]2CCO)cc1 ZINC000671309514 544067309 /nfs/dbraw/zinc/06/73/09/544067309.db2.gz NLOUUPWGPDKQKA-SFHVURJKSA-N 1 3 320.477 2.754 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CCCCC[C@H]2CCO)cc1 ZINC000671309514 544067311 /nfs/dbraw/zinc/06/73/11/544067311.db2.gz NLOUUPWGPDKQKA-SFHVURJKSA-N 1 3 320.477 2.754 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2CCO)cc1 ZINC000671309513 544067346 /nfs/dbraw/zinc/06/73/46/544067346.db2.gz NLOUUPWGPDKQKA-GOSISDBHSA-N 1 3 320.477 2.754 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CCCCC[C@@H]2CCO)cc1 ZINC000671309513 544067348 /nfs/dbraw/zinc/06/73/48/544067348.db2.gz NLOUUPWGPDKQKA-GOSISDBHSA-N 1 3 320.477 2.754 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@]3(CCN([C@@H]4CCCOC4)C3)C2)cc1 ZINC000671723616 544101905 /nfs/dbraw/zinc/10/19/05/544101905.db2.gz PATLCQQXLIKGTR-MOPGFXCFSA-N 1 3 300.446 2.763 20 0 DFADHO c1ccc(C[N@H+]2CC[C@]3(CCN([C@@H]4CCCOC4)C3)C2)cc1 ZINC000671723616 544101908 /nfs/dbraw/zinc/10/19/08/544101908.db2.gz PATLCQQXLIKGTR-MOPGFXCFSA-N 1 3 300.446 2.763 20 0 DFADHO CCC[NH+]1CCC(NC[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000672621214 544144106 /nfs/dbraw/zinc/14/41/06/544144106.db2.gz XTHMCXIIOTYTOK-HNNXBMFYSA-N 1 3 310.869 2.880 20 0 DFADHO CN(C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291259345 222264284 /nfs/dbraw/zinc/26/42/84/222264284.db2.gz WTZXQRDOOPXXGV-SWLSCSKDSA-N 1 3 316.367 2.622 20 0 DFADHO CN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291259345 222264286 /nfs/dbraw/zinc/26/42/86/222264286.db2.gz WTZXQRDOOPXXGV-SWLSCSKDSA-N 1 3 316.367 2.622 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C)nc2)[C@@H](C)C1 ZINC000675750835 544333620 /nfs/dbraw/zinc/33/36/20/544333620.db2.gz JPAMXQAQVQTEMY-YJBOKZPZSA-N 1 3 305.466 2.617 20 0 DFADHO CCCN1CCC([NH2+][C@@H]2CCOc3cc(OC)ccc32)CC1 ZINC000675902917 544343125 /nfs/dbraw/zinc/34/31/25/544343125.db2.gz MUAVREHBLIELHF-QGZVFWFLSA-N 1 3 304.434 2.983 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1C(C)(C)C1(C)C ZINC000676560259 544385798 /nfs/dbraw/zinc/38/57/98/544385798.db2.gz KYOCIHJYJAEURP-CABCVRRESA-N 1 3 307.526 2.815 20 0 DFADHO Cc1nc([C@H](C)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C)s1 ZINC000676489004 544379323 /nfs/dbraw/zinc/37/93/23/544379323.db2.gz GUSVFLPHEAMKQT-SWLSCSKDSA-N 1 3 322.522 2.579 20 0 DFADHO Cc1nc([C@H](C)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C)s1 ZINC000676489004 544379325 /nfs/dbraw/zinc/37/93/25/544379325.db2.gz GUSVFLPHEAMKQT-SWLSCSKDSA-N 1 3 322.522 2.579 20 0 DFADHO Cc1nc([C@H](C)NCC2CC[NH+](CCN(C)C)CC2)c(C)s1 ZINC000676490272 544379523 /nfs/dbraw/zinc/37/95/23/544379523.db2.gz PJYJZEFYYDQXDX-ZDUSSCGKSA-N 1 3 324.538 2.684 20 0 DFADHO COc1ccc2[nH]cc(CCN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000677240794 544456674 /nfs/dbraw/zinc/45/66/74/544456674.db2.gz KXWINPCEGKKETG-JKSUJKDBSA-N 1 3 313.445 2.935 20 0 DFADHO COc1ccc2[nH]cc(CCN[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000677240794 544456677 /nfs/dbraw/zinc/45/66/77/544456677.db2.gz KXWINPCEGKKETG-JKSUJKDBSA-N 1 3 313.445 2.935 20 0 DFADHO C[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000678239020 544627690 /nfs/dbraw/zinc/62/76/90/544627690.db2.gz UMFLAGAJFLHABP-KRWDZBQOSA-N 1 3 318.461 2.772 20 0 DFADHO c1ccc2c(c1)OCC[C@@H]2CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678277062 544641620 /nfs/dbraw/zinc/64/16/20/544641620.db2.gz PVBHLNMVGMQROD-IAGOWNOFSA-N 1 3 300.446 2.970 20 0 DFADHO c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000678277062 544641623 /nfs/dbraw/zinc/64/16/23/544641623.db2.gz PVBHLNMVGMQROD-IAGOWNOFSA-N 1 3 300.446 2.970 20 0 DFADHO c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000678277062 544641626 /nfs/dbraw/zinc/64/16/26/544641626.db2.gz PVBHLNMVGMQROD-IAGOWNOFSA-N 1 3 300.446 2.970 20 0 DFADHO C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000678765870 544717159 /nfs/dbraw/zinc/71/71/59/544717159.db2.gz HLEOJKAXZKHESS-PXNSSMCTSA-N 1 3 315.505 2.927 20 0 DFADHO CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000679375399 544844532 /nfs/dbraw/zinc/84/45/32/544844532.db2.gz ZOOILHVOWDOXPF-ROUUACIJSA-N 1 3 302.462 2.922 20 0 DFADHO CN(C)Cc1ccccc1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000679408070 544851449 /nfs/dbraw/zinc/85/14/49/544851449.db2.gz YVRNOUJIJDSZIE-UHFFFAOYSA-N 1 3 312.417 2.608 20 0 DFADHO c1ccc(CN2CCC(OCCC[NH2+]C3CSC3)CC2)cc1 ZINC000679627769 544884565 /nfs/dbraw/zinc/88/45/65/544884565.db2.gz XLRXKCXZHREJIO-UHFFFAOYSA-N 1 3 320.502 2.763 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000155638866 425923183 /nfs/dbraw/zinc/92/31/83/425923183.db2.gz SPVUDEIHAQMUCA-IAGOWNOFSA-N 1 3 319.493 2.680 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000102757563 425926849 /nfs/dbraw/zinc/92/68/49/425926849.db2.gz NBVMRXFQADESPX-QGZVFWFLSA-N 1 3 303.450 2.604 20 0 DFADHO CCCN1CC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193275664 268063404 /nfs/dbraw/zinc/06/34/04/268063404.db2.gz BDRPFNGYPXQIQH-QGZVFWFLSA-N 1 3 302.462 2.876 20 0 DFADHO CCC[C@H](N)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000236793412 268150237 /nfs/dbraw/zinc/15/02/37/268150237.db2.gz PGJYWKZIXBKHMJ-JQHSSLGASA-N 1 3 317.477 2.798 20 0 DFADHO CCC[C@H](N)C(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000236793412 268150240 /nfs/dbraw/zinc/15/02/40/268150240.db2.gz PGJYWKZIXBKHMJ-JQHSSLGASA-N 1 3 317.477 2.798 20 0 DFADHO COc1cccc(N2CC[C@H](N[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)C2)c1 ZINC000268867558 268186437 /nfs/dbraw/zinc/18/64/37/268186437.db2.gz TUYLKPJCRZLQJU-IUVQAAGXSA-N 1 3 317.477 2.592 20 0 DFADHO COc1cccc(N2CC[C@H](N[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)C2)c1 ZINC000268867558 268186438 /nfs/dbraw/zinc/18/64/38/268186438.db2.gz TUYLKPJCRZLQJU-IUVQAAGXSA-N 1 3 317.477 2.592 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000275924890 268260567 /nfs/dbraw/zinc/26/05/67/268260567.db2.gz WOVOBJFDARIDQQ-MSOLQXFVSA-N 1 3 302.462 2.543 20 0 DFADHO CC(C)[N@@H+]1CC[C@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000310005994 268337451 /nfs/dbraw/zinc/33/74/51/268337451.db2.gz HQBTVLNTTJLQBI-CQSZACIVSA-N 1 3 313.486 2.610 20 0 DFADHO CC(C)[N@H+]1CC[C@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000310005994 268337452 /nfs/dbraw/zinc/33/74/52/268337452.db2.gz HQBTVLNTTJLQBI-CQSZACIVSA-N 1 3 313.486 2.610 20 0 DFADHO CC(C)N1CC[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000310005994 268337454 /nfs/dbraw/zinc/33/74/54/268337454.db2.gz HQBTVLNTTJLQBI-CQSZACIVSA-N 1 3 313.486 2.610 20 0 DFADHO CC[NH+]1CCC(CN[C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000315039973 268342289 /nfs/dbraw/zinc/34/22/89/268342289.db2.gz XZXQJIXGYIHPFV-AWEZNQCLSA-N 1 3 300.450 2.956 20 0 DFADHO CCOC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000321487185 268348441 /nfs/dbraw/zinc/34/84/41/268348441.db2.gz XYFXGBPCZPOPDN-BRWVUGGUSA-N 1 3 323.481 2.508 20 0 DFADHO CCc1noc(C2CCC([NH2+][C@H]3CCCC[C@H]3CN)CC2)n1 ZINC000333145260 268377749 /nfs/dbraw/zinc/37/77/49/268377749.db2.gz LRJLYJHDIDQQFX-SHWKFHJASA-N 1 3 306.454 2.765 20 0 DFADHO CCc1noc(C2CCC([NH2+]C[C@]3(C)CCCNC3)CC2)n1 ZINC000333183241 268380814 /nfs/dbraw/zinc/38/08/14/268380814.db2.gz QDWMSVZEOMDHMB-MQBCKMQZSA-N 1 3 306.454 2.638 20 0 DFADHO CC(C)c1nnc2n1C[C@H](N[C@H](C)C[C@@H]1CCCCC[NH2+]1)CC2 ZINC000333231026 268384524 /nfs/dbraw/zinc/38/45/24/268384524.db2.gz BZJMITBGEDXERI-OWCLPIDISA-N 1 3 319.497 2.617 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCCC23CCN(C)CC3)c1 ZINC000333355091 268393063 /nfs/dbraw/zinc/39/30/63/268393063.db2.gz BWWIPEAAAAFBBI-UHFFFAOYSA-N 1 3 316.449 2.546 20 0 DFADHO Cc1nccn1CCCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000124796500 425938582 /nfs/dbraw/zinc/93/85/82/425938582.db2.gz LLVUJEPKARWZIM-UHFFFAOYSA-N 1 3 312.461 2.790 20 0 DFADHO Cc1nccn1CCCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000124796500 425938583 /nfs/dbraw/zinc/93/85/83/425938583.db2.gz LLVUJEPKARWZIM-UHFFFAOYSA-N 1 3 312.461 2.790 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000125756363 425989085 /nfs/dbraw/zinc/98/90/85/425989085.db2.gz WVYYJPMPUZECHU-CQSZACIVSA-N 1 3 321.431 2.723 20 0 DFADHO C[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000107779220 426003312 /nfs/dbraw/zinc/00/33/12/426003312.db2.gz WQOLYSDJUSMTCE-MHORFTMASA-N 1 3 321.509 2.725 20 0 DFADHO C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCOC4(CCSCC4)C3)CCN2C1 ZINC000158070810 425941425 /nfs/dbraw/zinc/94/14/25/425941425.db2.gz HTSVJADNNBVBQV-BZUAXINKSA-N 1 3 310.507 2.648 20 0 DFADHO C1C[C@@H]2C[C@H](N[C@@H]3CCOC4(CCSCC4)C3)CC[N@@H+]2C1 ZINC000158070810 425941428 /nfs/dbraw/zinc/94/14/28/425941428.db2.gz HTSVJADNNBVBQV-BZUAXINKSA-N 1 3 310.507 2.648 20 0 DFADHO C1C[C@@H]2C[C@H](N[C@@H]3CCOC4(CCSCC4)C3)CC[N@H+]2C1 ZINC000158070810 425941431 /nfs/dbraw/zinc/94/14/31/425941431.db2.gz HTSVJADNNBVBQV-BZUAXINKSA-N 1 3 310.507 2.648 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2cccc(OC)c2)[C@H](C)C1 ZINC000125078578 425952265 /nfs/dbraw/zinc/95/22/65/425952265.db2.gz OUZXXSNKXXTTBD-RKVPGOIHSA-N 1 3 306.450 2.782 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](C)Oc2cccc(OC)c2)[C@H](C)C1 ZINC000125078578 425952268 /nfs/dbraw/zinc/95/22/68/425952268.db2.gz OUZXXSNKXXTTBD-RKVPGOIHSA-N 1 3 306.450 2.782 20 0 DFADHO CC(C)[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CCC1 ZINC000159204914 425956844 /nfs/dbraw/zinc/95/68/44/425956844.db2.gz OYSGKSCGAOYRJY-GOSISDBHSA-N 1 3 317.477 2.668 20 0 DFADHO CC(C)[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CCC1 ZINC000159204914 425956845 /nfs/dbraw/zinc/95/68/45/425956845.db2.gz OYSGKSCGAOYRJY-GOSISDBHSA-N 1 3 317.477 2.668 20 0 DFADHO C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1)N1CCCCCC1 ZINC000125280576 425963832 /nfs/dbraw/zinc/96/38/32/425963832.db2.gz SICQIBCDVWHQNC-DLBZAZTESA-N 1 3 321.509 2.726 20 0 DFADHO C[C@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1)N1CCCCCC1 ZINC000125280576 425963834 /nfs/dbraw/zinc/96/38/34/425963834.db2.gz SICQIBCDVWHQNC-DLBZAZTESA-N 1 3 321.509 2.726 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000070174486 425968479 /nfs/dbraw/zinc/96/84/79/425968479.db2.gz YRIHCGOCFSUHCK-CHWSQXEVSA-N 1 3 309.841 2.728 20 0 DFADHO [NH3+]CC[C@@H]1CCCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000070170771 425969001 /nfs/dbraw/zinc/96/90/01/425969001.db2.gz QQUIZBHUSVFKFK-LBPRGKRZSA-N 1 3 310.825 2.672 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162420338 426063948 /nfs/dbraw/zinc/06/39/48/426063948.db2.gz UWYDRYKFXGDWTN-SOLBZPMBSA-N 1 3 316.493 2.890 20 0 DFADHO CN(CCc1ccccc1Cl)CC[N@H+](C)C1CCN(C)CC1 ZINC000126447165 426020055 /nfs/dbraw/zinc/02/00/55/426020055.db2.gz NJUIOERXBPCWBS-UHFFFAOYSA-N 1 3 323.912 2.840 20 0 DFADHO CN(CCc1ccccc1Cl)CC[N@@H+](C)C1CCN(C)CC1 ZINC000126447165 426020058 /nfs/dbraw/zinc/02/00/58/426020058.db2.gz NJUIOERXBPCWBS-UHFFFAOYSA-N 1 3 323.912 2.840 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCNc1ncc(Cl)cc1Cl ZINC000163115007 426090436 /nfs/dbraw/zinc/09/04/36/426090436.db2.gz FSGVGMCQEUXAHH-GWCFXTLKSA-N 1 3 317.264 2.730 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCNc1ncc(Cl)cc1Cl ZINC000163115007 426090439 /nfs/dbraw/zinc/09/04/39/426090439.db2.gz FSGVGMCQEUXAHH-GWCFXTLKSA-N 1 3 317.264 2.730 20 0 DFADHO COc1cc(OC)cc([C@H]2CC[N@H+](CC[C@H]3CCCN3C)C2)c1 ZINC000163237405 426094442 /nfs/dbraw/zinc/09/44/42/426094442.db2.gz AFKLBBUEGZNNHL-DOTOQJQBSA-N 1 3 318.461 2.977 20 0 DFADHO COc1cc(OC)cc([C@H]2CC[N@@H+](CC[C@H]3CCCN3C)C2)c1 ZINC000163237405 426094446 /nfs/dbraw/zinc/09/44/46/426094446.db2.gz AFKLBBUEGZNNHL-DOTOQJQBSA-N 1 3 318.461 2.977 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)C1 ZINC000163296488 426096424 /nfs/dbraw/zinc/09/64/24/426096424.db2.gz NSEHILAPXJJMRU-HOTGVXAUSA-N 1 3 315.461 2.806 20 0 DFADHO Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@@H]3CCCN3C)C2)n1 ZINC000163461769 426100832 /nfs/dbraw/zinc/10/08/32/426100832.db2.gz AXDYKRBAGZXKHG-SJORKVTESA-N 1 3 302.466 2.608 20 0 DFADHO Cc1cccc(NC[C@H]2CC[N@H+](CC[C@@H]3CCCN3C)C2)n1 ZINC000163461769 426100835 /nfs/dbraw/zinc/10/08/35/426100835.db2.gz AXDYKRBAGZXKHG-SJORKVTESA-N 1 3 302.466 2.608 20 0 DFADHO Cc1cccc(NC[C@H]2CCN(CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000163461769 426100839 /nfs/dbraw/zinc/10/08/39/426100839.db2.gz AXDYKRBAGZXKHG-SJORKVTESA-N 1 3 302.466 2.608 20 0 DFADHO Cc1cccc(NC[C@H]2CCN(CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000163461769 426100843 /nfs/dbraw/zinc/10/08/43/426100843.db2.gz AXDYKRBAGZXKHG-SJORKVTESA-N 1 3 302.466 2.608 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000128156710 426104326 /nfs/dbraw/zinc/10/43/26/426104326.db2.gz LSGVYNFVYCPRRO-HIFRSBDPSA-N 1 3 323.868 2.578 20 0 DFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(CN(C)C)cc1 ZINC000113198568 426106056 /nfs/dbraw/zinc/10/60/56/426106056.db2.gz SJBHVVPRAGFABJ-SFHVURJKSA-N 1 3 317.477 2.743 20 0 DFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(CN(C)C)cc1 ZINC000113198568 426106059 /nfs/dbraw/zinc/10/60/59/426106059.db2.gz SJBHVVPRAGFABJ-SFHVURJKSA-N 1 3 317.477 2.743 20 0 DFADHO Cc1cccc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)c1C ZINC000128275302 426110138 /nfs/dbraw/zinc/11/01/38/426110138.db2.gz WFHCOFUUYGKDBM-GOSISDBHSA-N 1 3 303.494 2.982 20 0 DFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCCN3)cc2)C1 ZINC000164571599 426116115 /nfs/dbraw/zinc/11/61/15/426116115.db2.gz BBYCLUNQXBPGKC-MAUKXSAKSA-N 1 3 315.461 2.999 20 0 DFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCCCN3)cc2)C1 ZINC000164571599 426116116 /nfs/dbraw/zinc/11/61/16/426116116.db2.gz BBYCLUNQXBPGKC-MAUKXSAKSA-N 1 3 315.461 2.999 20 0 DFADHO Cc1ccc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)c(C)c1 ZINC000128498526 426119804 /nfs/dbraw/zinc/11/98/04/426119804.db2.gz DOQJAPVHZNBIEL-SFHVURJKSA-N 1 3 303.494 2.982 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000165968348 426124916 /nfs/dbraw/zinc/12/49/16/426124916.db2.gz KEVYACBVXFBXDU-HIFRSBDPSA-N 1 3 312.429 2.842 20 0 DFADHO c1cnn(CCCCCN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075834298 426086933 /nfs/dbraw/zinc/08/69/33/426086933.db2.gz SSMZEOQTLGAENE-GOSISDBHSA-N 1 3 304.482 2.861 20 0 DFADHO c1cnn(CCCCC[N@@H+]2CC[C@H](CN3CCCCC3)C2)c1 ZINC000075834298 426086936 /nfs/dbraw/zinc/08/69/36/426086936.db2.gz SSMZEOQTLGAENE-GOSISDBHSA-N 1 3 304.482 2.861 20 0 DFADHO c1cnn(CCCCC[N@H+]2CC[C@H](CN3CCCCC3)C2)c1 ZINC000075834298 426086938 /nfs/dbraw/zinc/08/69/38/426086938.db2.gz SSMZEOQTLGAENE-GOSISDBHSA-N 1 3 304.482 2.861 20 0 DFADHO CC[NH+](CC)CCCN1CCN(CCc2ccccc2)CC1 ZINC000170793716 426151369 /nfs/dbraw/zinc/15/13/69/426151369.db2.gz DKKNKEIKMQPLMF-UHFFFAOYSA-N 1 3 303.494 2.579 20 0 DFADHO CN(CCCO)C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000115548908 426168078 /nfs/dbraw/zinc/16/80/78/426168078.db2.gz DPVIZEMKUFRUKD-LJQANCHMSA-N 1 3 302.462 2.843 20 0 DFADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000134084376 426184654 /nfs/dbraw/zinc/18/46/54/426184654.db2.gz UFDKIWBOUAEGSM-WDSOQIARSA-N 1 3 301.478 2.753 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000134084376 426184656 /nfs/dbraw/zinc/18/46/56/426184656.db2.gz UFDKIWBOUAEGSM-WDSOQIARSA-N 1 3 301.478 2.753 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000134084376 426184659 /nfs/dbraw/zinc/18/46/59/426184659.db2.gz UFDKIWBOUAEGSM-WDSOQIARSA-N 1 3 301.478 2.753 20 0 DFADHO CCN1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC000079905478 426206297 /nfs/dbraw/zinc/20/62/97/426206297.db2.gz YJWUXTIOQOTUNO-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO CCN1CCC(NC(=O)C[N@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC000079905478 426206300 /nfs/dbraw/zinc/20/63/00/426206300.db2.gz YJWUXTIOQOTUNO-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172623856 426229757 /nfs/dbraw/zinc/22/97/57/426229757.db2.gz KCGLVAVZZICBDW-GOSISDBHSA-N 1 3 321.509 2.726 20 0 DFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172623856 426229760 /nfs/dbraw/zinc/22/97/60/426229760.db2.gz KCGLVAVZZICBDW-GOSISDBHSA-N 1 3 321.509 2.726 20 0 DFADHO CN(CC[C@H]1CC[NH2+]C1)Cc1csc(Br)c1 ZINC000084385356 426237701 /nfs/dbraw/zinc/23/77/01/426237701.db2.gz ZIBMKODLAFXVGT-SNVBAGLBSA-N 1 3 303.269 2.942 20 0 DFADHO CN(CCN1CC[NH+](CC2CCC2)CC1)Cc1ccccc1 ZINC000173719543 426245875 /nfs/dbraw/zinc/24/58/75/426245875.db2.gz RCRQGWDRSQAWKJ-UHFFFAOYSA-N 1 3 301.478 2.536 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CCN1C ZINC000119101678 426263046 /nfs/dbraw/zinc/26/30/46/426263046.db2.gz XVZXXVMGTVPMBD-WDSOQIARSA-N 1 3 301.478 2.723 20 0 DFADHO Cc1cc(C)cc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c1 ZINC000150947115 426269248 /nfs/dbraw/zinc/26/92/48/426269248.db2.gz VGQKRHDEAPSNDN-QGZVFWFLSA-N 1 3 303.494 2.980 20 0 DFADHO CCc1ccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)s1 ZINC000150999791 426272554 /nfs/dbraw/zinc/27/25/54/426272554.db2.gz OTDZLCJOIOFHJP-CQSZACIVSA-N 1 3 309.523 2.987 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000152104725 426326673 /nfs/dbraw/zinc/32/66/73/426326673.db2.gz TUFONLWTNSNCRV-JTDSTZFVSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(Cn2ccnc2)cc1 ZINC000152104725 426326677 /nfs/dbraw/zinc/32/66/77/426326677.db2.gz TUFONLWTNSNCRV-JTDSTZFVSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(Cn2ccnc2)cc1 ZINC000152104725 426326680 /nfs/dbraw/zinc/32/66/80/426326680.db2.gz TUFONLWTNSNCRV-JTDSTZFVSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1ccco1)N1CCCC1 ZINC000121237138 426327255 /nfs/dbraw/zinc/32/72/55/426327255.db2.gz FSBUCLVCWARCHR-VQHPVUNQSA-N 1 3 305.466 2.735 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1ccco1)N1CCCC1 ZINC000121237138 426327258 /nfs/dbraw/zinc/32/72/58/426327258.db2.gz FSBUCLVCWARCHR-VQHPVUNQSA-N 1 3 305.466 2.735 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000121237138 426327261 /nfs/dbraw/zinc/32/72/61/426327261.db2.gz FSBUCLVCWARCHR-VQHPVUNQSA-N 1 3 305.466 2.735 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCc1nc(C(F)(F)F)cs1 ZINC000152212591 426332299 /nfs/dbraw/zinc/33/22/99/426332299.db2.gz GALIRLNRTSAZFC-UWVGGRQHSA-N 1 3 307.385 2.634 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCc1nc(C(F)(F)F)cs1 ZINC000152212591 426332302 /nfs/dbraw/zinc/33/23/02/426332302.db2.gz GALIRLNRTSAZFC-UWVGGRQHSA-N 1 3 307.385 2.634 20 0 DFADHO C[NH+](C)CCOc1cc(CN[C@H]2CCc3ccccc32)ccn1 ZINC000090936938 426333490 /nfs/dbraw/zinc/33/34/90/426333490.db2.gz QLLCVACJLNNHFD-SFHVURJKSA-N 1 3 311.429 2.799 20 0 DFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175188502 426286082 /nfs/dbraw/zinc/28/60/82/426286082.db2.gz KMXGPMPEDGXQEU-GOSISDBHSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H](NCCC1CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000091333214 426341639 /nfs/dbraw/zinc/34/16/39/426341639.db2.gz SZFBVFFMRXVSBY-AWEZNQCLSA-N 1 3 300.450 2.956 20 0 DFADHO CC(=O)Nc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000092043297 426346136 /nfs/dbraw/zinc/34/61/36/426346136.db2.gz ZXJHHCZRZOGICO-AEFFLSMTSA-N 1 3 301.434 2.561 20 0 DFADHO CC(=O)Nc1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000092043297 426346138 /nfs/dbraw/zinc/34/61/38/426346138.db2.gz ZXJHHCZRZOGICO-AEFFLSMTSA-N 1 3 301.434 2.561 20 0 DFADHO CCC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC1CC1 ZINC000176112777 426353033 /nfs/dbraw/zinc/35/30/33/426353033.db2.gz VGHOUVBXQGFBSZ-SFHVURJKSA-N 1 3 317.477 2.528 20 0 DFADHO CCC[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC1CC1 ZINC000176112777 426353037 /nfs/dbraw/zinc/35/30/37/426353037.db2.gz VGHOUVBXQGFBSZ-SFHVURJKSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@H](C(=O)NC(C)(C)C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121762319 426353613 /nfs/dbraw/zinc/35/36/13/426353613.db2.gz IRRMHYYPUDGSAN-MRXNPFEDSA-N 1 3 323.525 2.878 20 0 DFADHO CC[NH+](CC)CCCC1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000122131731 426359945 /nfs/dbraw/zinc/35/99/45/426359945.db2.gz XFKGZLZIDWKMHF-CQSZACIVSA-N 1 3 310.404 2.744 20 0 DFADHO Cc1ccccc1C[NH+]1CCC(NCC2=CCCOC2)CC1 ZINC000176829449 426418581 /nfs/dbraw/zinc/41/85/81/426418581.db2.gz RVAQGKPTTWUGAP-UHFFFAOYSA-N 1 3 300.446 2.896 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCc3c2cccc3C)CC1 ZINC000154234236 426431439 /nfs/dbraw/zinc/43/14/39/426431439.db2.gz PDYARJFLWOWHFK-IBGZPJMESA-N 1 3 301.478 2.600 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(C)c2C)CC1 ZINC000154239122 426432005 /nfs/dbraw/zinc/43/20/05/426432005.db2.gz KEJVCFRYDNPCHX-SFHVURJKSA-N 1 3 303.494 2.982 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc3c(s2)CCC3)CC1 ZINC000154278347 426433163 /nfs/dbraw/zinc/43/31/63/426433163.db2.gz PWZQBVHYDMRNKP-HNNXBMFYSA-N 1 3 321.534 2.915 20 0 DFADHO CCc1ccc([C@@H](C)[NH2+]CCCN2CCN(CC)CC2)s1 ZINC000154325880 426435587 /nfs/dbraw/zinc/43/55/87/426435587.db2.gz YRRHXQHFTGCQMT-OAHLLOKOSA-N 1 3 309.523 2.989 20 0 DFADHO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000177029380 426435751 /nfs/dbraw/zinc/43/57/51/426435751.db2.gz VAUCDQIUWGMREL-YOEHRIQHSA-N 1 3 318.465 2.598 20 0 DFADHO CC(C)[N@@H+]1C[C@H](NC(=O)Nc2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000177029380 426435752 /nfs/dbraw/zinc/43/57/52/426435752.db2.gz VAUCDQIUWGMREL-YOEHRIQHSA-N 1 3 318.465 2.598 20 0 DFADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c(OC)c1 ZINC000124376693 426482289 /nfs/dbraw/zinc/48/22/89/426482289.db2.gz UNPYQEHDVARDOD-UONOGXRCSA-N 1 3 304.434 2.839 20 0 DFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(CN(C)C)c2)[C@H]1C ZINC000280161699 426508559 /nfs/dbraw/zinc/50/85/59/426508559.db2.gz FQRBARLHPNCABI-JCGIZDLHSA-N 1 3 318.461 2.816 20 0 DFADHO CN(C)[C@H](CNC(=O)C[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000177756763 426516871 /nfs/dbraw/zinc/51/68/71/426516871.db2.gz PURDNEKFCSRPAG-GOSISDBHSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)[C@H](CNC(=O)C[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000177756763 426516876 /nfs/dbraw/zinc/51/68/76/426516876.db2.gz PURDNEKFCSRPAG-GOSISDBHSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@H]([NH2+]CC1(CO)CCCC1)c1cccc(OCCN(C)C)c1 ZINC000186478262 426535414 /nfs/dbraw/zinc/53/54/14/426535414.db2.gz IXUULIRBCGUYAC-INIZCTEOSA-N 1 3 320.477 2.830 20 0 DFADHO C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000186486756 426538142 /nfs/dbraw/zinc/53/81/42/426538142.db2.gz XFHINIAMCYTREJ-MRXNPFEDSA-N 1 3 320.477 2.830 20 0 DFADHO C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000186510218 426541114 /nfs/dbraw/zinc/54/11/14/426541114.db2.gz YKPORBWMBCVVTD-KHBBMSQDSA-N 1 3 314.473 2.814 20 0 DFADHO OCc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280296299 426543701 /nfs/dbraw/zinc/54/37/01/426543701.db2.gz FLVXBOHCNXAKPZ-OYRHEFFESA-N 1 3 322.452 2.743 20 0 DFADHO OCc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280296299 426543706 /nfs/dbraw/zinc/54/37/06/426543706.db2.gz FLVXBOHCNXAKPZ-OYRHEFFESA-N 1 3 322.452 2.743 20 0 DFADHO COc1cc(CN2CCC(CC[NH+](C)C)CC2)cc(OC)c1O ZINC000289033675 426572197 /nfs/dbraw/zinc/57/21/97/426572197.db2.gz HDWDVYRHZXKCRN-UHFFFAOYSA-N 1 3 322.449 2.573 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)CCN1C ZINC000186878343 426602210 /nfs/dbraw/zinc/60/22/10/426602210.db2.gz WXGHQJMIFOEYKC-UXPWSPDFSA-N 1 3 315.505 2.969 20 0 DFADHO COCCC[C@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000178307047 426603179 /nfs/dbraw/zinc/60/31/79/426603179.db2.gz KIFLJCICKXWPKN-INIZCTEOSA-N 1 3 320.477 2.548 20 0 DFADHO CCCN(CC(=O)Nc1ccc(Cl)cc1)CC1CC[NH2+]CC1 ZINC000236971865 426686255 /nfs/dbraw/zinc/68/62/55/426686255.db2.gz IPOOTIVTSIXXNG-UHFFFAOYSA-N 1 3 323.868 2.990 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000280699137 426637010 /nfs/dbraw/zinc/63/70/10/426637010.db2.gz CBMSSKNBALGKMP-APWZRJJASA-N 1 3 315.461 2.857 20 0 DFADHO C[C@H]([NH2+]CCc1cscn1)c1cccc(OCCN(C)C)c1 ZINC000178472296 426637210 /nfs/dbraw/zinc/63/72/10/426637210.db2.gz KSCGJFWVXVDGKG-AWEZNQCLSA-N 1 3 319.474 2.977 20 0 DFADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000178485380 426639676 /nfs/dbraw/zinc/63/96/76/426639676.db2.gz ZQHNYDKIZBJAPT-OAHLLOKOSA-N 1 3 318.461 2.773 20 0 DFADHO CN(CCC(=O)Nc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231670235 426652077 /nfs/dbraw/zinc/65/20/77/426652077.db2.gz FCALOSRFFZKDQI-ZDUSSCGKSA-N 1 3 309.841 2.743 20 0 DFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C3(N)CCCCC3)C2)CC1 ZINC000236628171 426667756 /nfs/dbraw/zinc/66/77/56/426667756.db2.gz NNXYBZRKPOULAG-QGZVFWFLSA-N 1 3 321.509 2.619 20 0 DFADHO CCC(CC)(C[NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000236679272 426675543 /nfs/dbraw/zinc/67/55/43/426675543.db2.gz AWFUZHHYCRCRBA-KRWDZBQOSA-N 1 3 317.477 2.705 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000178411754 426624978 /nfs/dbraw/zinc/62/49/78/426624978.db2.gz UZJADJGBPCUVNA-OAHLLOKOSA-N 1 3 317.433 2.780 20 0 DFADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000178752148 426688098 /nfs/dbraw/zinc/68/80/98/426688098.db2.gz JQTCGJKSPRDWKG-QZTJIDSGSA-N 1 3 321.509 2.761 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000178829435 426702723 /nfs/dbraw/zinc/70/27/23/426702723.db2.gz AQGHLZZXSGASOA-RYRKJORJSA-N 1 3 315.461 2.916 20 0 DFADHO C[C@H]1C[C@@H](NCCN2CCc3c(Cl)cccc3C2)CC[N@@H+]1C ZINC000187998196 426714450 /nfs/dbraw/zinc/71/44/50/426714450.db2.gz ZQFOZLNKWLNPTI-HOCLYGCPSA-N 1 3 321.896 2.770 20 0 DFADHO C[C@H]1C[C@@H](NCCN2CCc3c(Cl)cccc3C2)CC[N@H+]1C ZINC000187998196 426714455 /nfs/dbraw/zinc/71/44/55/426714455.db2.gz ZQFOZLNKWLNPTI-HOCLYGCPSA-N 1 3 321.896 2.770 20 0 DFADHO C[C@@H]([NH2+]CCN1CC=CCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000280950705 426693039 /nfs/dbraw/zinc/69/30/39/426693039.db2.gz JRKXKTANFHKBBB-UYAOXDASSA-N 1 3 313.489 2.749 20 0 DFADHO C[C@@H](NCCN1CC=CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280950705 426693040 /nfs/dbraw/zinc/69/30/40/426693040.db2.gz JRKXKTANFHKBBB-UYAOXDASSA-N 1 3 313.489 2.749 20 0 DFADHO C[C@@H](NCCN1CC=CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280950705 426693041 /nfs/dbraw/zinc/69/30/41/426693041.db2.gz JRKXKTANFHKBBB-UYAOXDASSA-N 1 3 313.489 2.749 20 0 DFADHO CC(C)[C@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245735912 426768582 /nfs/dbraw/zinc/76/85/82/426768582.db2.gz QUJGJYCYXJYEOA-AKHDSKFASA-N 1 3 302.462 2.789 20 0 DFADHO CC(C)[C@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245735912 426768585 /nfs/dbraw/zinc/76/85/85/426768585.db2.gz QUJGJYCYXJYEOA-AKHDSKFASA-N 1 3 302.462 2.789 20 0 DFADHO Cc1ccc2ncc(CN3CC[C@H](C4CC[NH+](C)CC4)C3)n2c1 ZINC000290512595 426780942 /nfs/dbraw/zinc/78/09/42/426780942.db2.gz PPEVQHHPCOGHOM-KRWDZBQOSA-N 1 3 312.461 2.806 20 0 DFADHO CCOc1cc2c(cc1OCC)CN(CC1CC[NH2+]CC1)CC2 ZINC000178956257 426724819 /nfs/dbraw/zinc/72/48/19/426724819.db2.gz HZGDIMNDVBYDGL-UHFFFAOYSA-N 1 3 318.461 2.842 20 0 DFADHO CC1(C)[C@H](NC[C@H](O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000274263325 426732598 /nfs/dbraw/zinc/73/25/98/426732598.db2.gz KUMSRKWKPMHBOT-OKZBNKHCSA-N 1 3 302.462 2.615 20 0 DFADHO CN1CCC(O)(C[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000290322663 426741292 /nfs/dbraw/zinc/74/12/92/426741292.db2.gz ABUJEVVMJRHDGY-UHFFFAOYSA-N 1 3 304.478 2.573 20 0 DFADHO Cc1cc(Cl)ccc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000274340096 426748441 /nfs/dbraw/zinc/74/84/41/426748441.db2.gz YTGQPKYYEBBDTR-UHFFFAOYSA-N 1 3 310.869 2.973 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)c1 ZINC000290581126 426797257 /nfs/dbraw/zinc/79/72/57/426797257.db2.gz NUAUKQHNAIKVGM-DLBZAZTESA-N 1 3 303.450 2.629 20 0 DFADHO C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000266933949 426799267 /nfs/dbraw/zinc/79/92/67/426799267.db2.gz NNPVIROSGFIBLZ-ZNMIVQPWSA-N 1 3 303.450 2.948 20 0 DFADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000246281780 426816625 /nfs/dbraw/zinc/81/66/25/426816625.db2.gz MPJJFOHGHCTSPS-VQHPVUNQSA-N 1 3 321.509 2.534 20 0 DFADHO Cc1ccccc1C[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282210470 426854191 /nfs/dbraw/zinc/85/41/91/426854191.db2.gz DHKYXWHKLVHHJN-QGZVFWFLSA-N 1 3 303.494 2.542 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000179523643 426796891 /nfs/dbraw/zinc/79/68/91/426796891.db2.gz AMBRRVRRIJRYSO-AXYPVASZSA-N 1 3 323.431 2.782 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000179523643 426796897 /nfs/dbraw/zinc/79/68/97/426796897.db2.gz AMBRRVRRIJRYSO-AXYPVASZSA-N 1 3 323.431 2.782 20 0 DFADHO Cc1cc2c(cc1C)[C@@H]([NH2+]CC1(O)CCN(C)CC1)CCS2 ZINC000275275699 426863791 /nfs/dbraw/zinc/86/37/91/426863791.db2.gz CPBPEHPDTCMGSU-INIZCTEOSA-N 1 3 320.502 2.887 20 0 DFADHO CN1CC[C@H](C[N@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000275542101 426868286 /nfs/dbraw/zinc/86/82/86/426868286.db2.gz SSLUBDOYXVYOCA-SWLSCSKDSA-N 1 3 316.367 2.622 20 0 DFADHO CN1CC[C@H](C[N@@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000275542101 426868287 /nfs/dbraw/zinc/86/82/87/426868287.db2.gz SSLUBDOYXVYOCA-SWLSCSKDSA-N 1 3 316.367 2.622 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCCOC)[C@@H](C)C1 ZINC000246835345 426870083 /nfs/dbraw/zinc/87/00/83/426870083.db2.gz BHTGLRTYQIMCIF-FUHWJXTLSA-N 1 3 320.477 2.840 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000246864855 426874576 /nfs/dbraw/zinc/87/45/76/426874576.db2.gz CQXJHWSMZOMVMV-WVZRYYJFSA-N 1 3 323.431 2.862 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000246864855 426874583 /nfs/dbraw/zinc/87/45/83/426874583.db2.gz CQXJHWSMZOMVMV-WVZRYYJFSA-N 1 3 323.431 2.862 20 0 DFADHO Cc1cccc(CC[C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282315175 426879126 /nfs/dbraw/zinc/87/91/26/426879126.db2.gz NFDCRKJKBVCZMD-SFHVURJKSA-N 1 3 317.521 2.932 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(Cl)cc2F)CC1 ZINC000275671688 426891562 /nfs/dbraw/zinc/89/15/62/426891562.db2.gz XHQWVFVSBLFSHI-UHFFFAOYSA-N 1 3 314.832 2.804 20 0 DFADHO C[C@H](O)C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000305272964 426905549 /nfs/dbraw/zinc/90/55/49/426905549.db2.gz AJSFBQOEFUODLU-AITUJVMLSA-N 1 3 302.462 2.758 20 0 DFADHO C[C@H](O)C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000305272964 426905553 /nfs/dbraw/zinc/90/55/53/426905553.db2.gz AJSFBQOEFUODLU-AITUJVMLSA-N 1 3 302.462 2.758 20 0 DFADHO Cc1cc(C)cc(OCCN2CCC(OCCC[NH3+])CC2)c1 ZINC000317293544 426954597 /nfs/dbraw/zinc/95/45/97/426954597.db2.gz WJZWMALSXZCYJV-UHFFFAOYSA-N 1 3 306.450 2.512 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)[C@H](C)C1 ZINC000248049246 426975935 /nfs/dbraw/zinc/97/59/35/426975935.db2.gz VVWAOTHNHAUGER-IXDOHACOSA-N 1 3 305.466 2.736 20 0 DFADHO CN1CC[C@@H](C[N@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000275870921 426936328 /nfs/dbraw/zinc/93/63/28/426936328.db2.gz YBOFFUQEVVTRSN-OAHLLOKOSA-N 1 3 304.434 2.715 20 0 DFADHO CN1CC[C@@H](C[N@@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000275870921 426936332 /nfs/dbraw/zinc/93/63/32/426936332.db2.gz YBOFFUQEVVTRSN-OAHLLOKOSA-N 1 3 304.434 2.715 20 0 DFADHO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H](c1cccs1)N1CCCC1 ZINC000292011134 427057380 /nfs/dbraw/zinc/05/73/80/427057380.db2.gz DFYUVHARDQKVNP-LSDHHAIUSA-N 1 3 321.490 2.533 20 0 DFADHO C[C@@H](NCCOCC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276158740 426996827 /nfs/dbraw/zinc/99/68/27/426996827.db2.gz CYODOKXKDAISDP-ZBFHGGJFSA-N 1 3 312.404 2.768 20 0 DFADHO C[C@@H](NCCOCC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276158740 426996834 /nfs/dbraw/zinc/99/68/34/426996834.db2.gz CYODOKXKDAISDP-ZBFHGGJFSA-N 1 3 312.404 2.768 20 0 DFADHO CC(=O)Nc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000181941554 426997758 /nfs/dbraw/zinc/99/77/58/426997758.db2.gz FEJCJNXPBMIXIG-DZGCQCFKSA-N 1 3 301.434 2.780 20 0 DFADHO CC(=O)Nc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000181941554 426997767 /nfs/dbraw/zinc/99/77/67/426997767.db2.gz FEJCJNXPBMIXIG-DZGCQCFKSA-N 1 3 301.434 2.780 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnccc2C)[C@H](C)C1 ZINC000276275266 427025271 /nfs/dbraw/zinc/02/52/71/427025271.db2.gz SQSTUAIBSOJEIT-AEFFLSMTSA-N 1 3 305.466 2.617 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000337899496 427027945 /nfs/dbraw/zinc/02/79/45/427027945.db2.gz ONZLKGHWCKYVGV-JFIYKMOQSA-N 1 3 304.482 2.904 20 0 DFADHO CCCN[C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000295963348 427030137 /nfs/dbraw/zinc/03/01/37/427030137.db2.gz IAILBARHDPCXKH-HNNXBMFYSA-N 1 3 303.450 2.652 20 0 DFADHO CC[C@]1(C)CN(CCCC[N@@H+]2CCO[C@](C)(CC)C2)CCO1 ZINC000248997553 427074176 /nfs/dbraw/zinc/07/41/76/427074176.db2.gz YEWHCLXMDKZZGD-QZTJIDSGSA-N 1 3 312.498 2.768 20 0 DFADHO CC[C@]1(C)CN(CCCC[N@H+]2CCO[C@](C)(CC)C2)CCO1 ZINC000248997553 427074182 /nfs/dbraw/zinc/07/41/82/427074182.db2.gz YEWHCLXMDKZZGD-QZTJIDSGSA-N 1 3 312.498 2.768 20 0 DFADHO CN1CCCN(CCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000249083144 427085796 /nfs/dbraw/zinc/08/57/96/427085796.db2.gz AUSHVGANJJFQNA-HUUCEWRRSA-N 1 3 321.431 2.725 20 0 DFADHO CCc1ccc([C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000292127449 427100825 /nfs/dbraw/zinc/10/08/25/427100825.db2.gz RCZDAVCWFWBAPS-ZWKOTPCHSA-N 1 3 317.477 2.500 20 0 DFADHO c1ccc(CN2CCC([NH2+][C@@H]3CCN4CCCC[C@H]34)CC2)cc1 ZINC000268767802 427107789 /nfs/dbraw/zinc/10/77/89/427107789.db2.gz KGFDHEAQMWXIPI-WOJBJXKFSA-N 1 3 313.489 2.867 20 0 DFADHO C[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000338058189 427119518 /nfs/dbraw/zinc/11/95/18/427119518.db2.gz KNCKQBKCTDNSCX-OAGGEKHMSA-N 1 3 309.498 2.628 20 0 DFADHO C[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000338058187 427119605 /nfs/dbraw/zinc/11/96/05/427119605.db2.gz KNCKQBKCTDNSCX-BZUAXINKSA-N 1 3 309.498 2.628 20 0 DFADHO COCC[N@H+](C)CCCN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000268809908 427125558 /nfs/dbraw/zinc/12/55/58/427125558.db2.gz KNYHITGYSKASLE-ZDUSSCGKSA-N 1 3 316.392 2.907 20 0 DFADHO COCC[N@@H+](C)CCCN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000268809908 427125562 /nfs/dbraw/zinc/12/55/62/427125562.db2.gz KNYHITGYSKASLE-ZDUSSCGKSA-N 1 3 316.392 2.907 20 0 DFADHO COc1ccsc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000268813356 427125706 /nfs/dbraw/zinc/12/57/06/427125706.db2.gz UTQLWLBHRAZWEW-OKILXGFUSA-N 1 3 312.479 2.736 20 0 DFADHO CO[C@H](C)[C@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000268830261 427131079 /nfs/dbraw/zinc/13/10/79/427131079.db2.gz WCWYWGDNICSJBD-ZWKOTPCHSA-N 1 3 319.493 2.602 20 0 DFADHO CCC[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166414000 271096337 /nfs/dbraw/zinc/09/63/37/271096337.db2.gz JVPSPDNREIIBCU-SFHVURJKSA-N 1 3 317.477 2.806 20 0 DFADHO CC(C)[NH+](CCCNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)C(C)C ZINC000174097697 271127791 /nfs/dbraw/zinc/12/77/91/271127791.db2.gz CUXOCBVJEXLEFE-ZACQAIPSSA-N 1 3 311.514 2.873 20 0 DFADHO CC[NH+]1CCC(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000174180744 271130437 /nfs/dbraw/zinc/13/04/37/271130437.db2.gz UPSFEKOEQWJOQJ-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO C[C@@H]1CCC[C@@H](CC[NH+]2CCC(C(=O)NCCN(C)C)CC2)C1 ZINC000177050754 271171969 /nfs/dbraw/zinc/17/19/69/271171969.db2.gz RJEQSJUTUBAJIS-SJORKVTESA-N 1 3 323.525 2.593 20 0 DFADHO CCCN(CCN(C)C)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000338171268 427168418 /nfs/dbraw/zinc/16/84/18/427168418.db2.gz FRKPBVPVLNKPPK-UHFFFAOYSA-N 1 3 319.493 2.942 20 0 DFADHO CCOC1CC([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000284392651 271337859 /nfs/dbraw/zinc/33/78/59/271337859.db2.gz PHAFIBMPIVURKZ-UHFFFAOYSA-N 1 3 318.461 2.817 20 0 DFADHO c1ccc(C[C@@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)c2cccnc2)nc1 ZINC000338195010 427186790 /nfs/dbraw/zinc/18/67/90/427186790.db2.gz KDGTZMVSVCFIOW-OXJNMPFZSA-N 1 3 322.456 2.834 20 0 DFADHO OC1(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000284361209 427190375 /nfs/dbraw/zinc/19/03/75/427190375.db2.gz NAMMMLKBCDAENR-IPMKNSEASA-N 1 3 314.473 2.792 20 0 DFADHO CN1CCN(CC[C@H]2CCCC[N@@H+]2C)C[C@H]1Cc1ccccc1 ZINC000284681273 427195116 /nfs/dbraw/zinc/19/51/16/427195116.db2.gz GXXGDZLXLUWOQN-WOJBJXKFSA-N 1 3 315.505 2.720 20 0 DFADHO CN1CCN(CC[C@H]2CCCC[N@H+]2C)C[C@H]1Cc1ccccc1 ZINC000284681273 427195122 /nfs/dbraw/zinc/19/51/22/427195122.db2.gz GXXGDZLXLUWOQN-WOJBJXKFSA-N 1 3 315.505 2.720 20 0 DFADHO C[C@H](O)[C@](C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000253351277 427199958 /nfs/dbraw/zinc/19/99/58/427199958.db2.gz IYRIMFFUHZMMKF-LEAZDLGRSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@H](O)[C@](C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000253351277 427199963 /nfs/dbraw/zinc/19/99/63/427199963.db2.gz IYRIMFFUHZMMKF-LEAZDLGRSA-N 1 3 316.489 2.833 20 0 DFADHO Cc1nc2ccccc2nc1C[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292916572 427204690 /nfs/dbraw/zinc/20/46/90/427204690.db2.gz HXNWUTYEXBGAPC-LJQANCHMSA-N 1 3 310.445 2.856 20 0 DFADHO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292916572 427204698 /nfs/dbraw/zinc/20/46/98/427204698.db2.gz HXNWUTYEXBGAPC-LJQANCHMSA-N 1 3 310.445 2.856 20 0 DFADHO C[NH+](C)C1(CNC(=O)C[C@@H](N)c2ccccc2)CCCCCC1 ZINC000269535468 427222030 /nfs/dbraw/zinc/22/20/30/427222030.db2.gz YHTSOJVNDJMDFR-QGZVFWFLSA-N 1 3 317.477 2.847 20 0 DFADHO CC1=CC[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000285423653 427227338 /nfs/dbraw/zinc/22/73/38/427227338.db2.gz YHHVKGYZLBYCRP-OALUTQOASA-N 1 3 300.446 2.842 20 0 DFADHO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000183237345 427228731 /nfs/dbraw/zinc/22/87/31/427228731.db2.gz MPNHODGFYCDKDZ-GJZGRUSLSA-N 1 3 311.470 2.508 20 0 DFADHO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000183237345 427228738 /nfs/dbraw/zinc/22/87/38/427228738.db2.gz MPNHODGFYCDKDZ-GJZGRUSLSA-N 1 3 311.470 2.508 20 0 DFADHO COC(=O)CCC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285695119 427313363 /nfs/dbraw/zinc/31/33/63/427313363.db2.gz VONDHESTDMOQFN-LJQANCHMSA-N 1 3 316.445 2.538 20 0 DFADHO COC(=O)CCC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285695119 427313367 /nfs/dbraw/zinc/31/33/67/427313367.db2.gz VONDHESTDMOQFN-LJQANCHMSA-N 1 3 316.445 2.538 20 0 DFADHO CC[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CCO1 ZINC000261702649 427339049 /nfs/dbraw/zinc/33/90/49/427339049.db2.gz JLPQFUOCOMQYIV-AITUJVMLSA-N 1 3 302.462 2.866 20 0 DFADHO CC[C@@H]1C[C@@H](C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CCO1 ZINC000261702649 427339054 /nfs/dbraw/zinc/33/90/54/427339054.db2.gz JLPQFUOCOMQYIV-AITUJVMLSA-N 1 3 302.462 2.866 20 0 DFADHO CC(C)c1ccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000262076818 427349481 /nfs/dbraw/zinc/34/94/81/427349481.db2.gz SSFSQJDYZSYKCS-SFHVURJKSA-N 1 3 317.477 2.630 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)CN(C)C ZINC000293351965 427295862 /nfs/dbraw/zinc/29/58/62/427295862.db2.gz HACBNOZELXMTAF-LMMKCTJWSA-N 1 3 303.494 2.684 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1cc(C(F)(F)F)ccn1 ZINC000293626490 427385263 /nfs/dbraw/zinc/38/52/63/427385263.db2.gz GEKVDGLHCHSTAK-LALPHHSUSA-N 1 3 315.383 2.961 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1cc(C(F)(F)F)ccn1 ZINC000293626490 427385271 /nfs/dbraw/zinc/38/52/71/427385271.db2.gz GEKVDGLHCHSTAK-LALPHHSUSA-N 1 3 315.383 2.961 20 0 DFADHO CN(C)CC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCC1 ZINC000297285716 427385852 /nfs/dbraw/zinc/38/58/52/427385852.db2.gz ACAHHFFJHGPYGJ-UHFFFAOYSA-N 1 3 316.493 2.762 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1cccc(C(F)(F)F)n1 ZINC000293635033 427391990 /nfs/dbraw/zinc/39/19/90/427391990.db2.gz GUTIYFXLAXKEBD-MBNYWOFBSA-N 1 3 315.383 2.961 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1cccc(C(F)(F)F)n1 ZINC000293635033 427391993 /nfs/dbraw/zinc/39/19/93/427391993.db2.gz GUTIYFXLAXKEBD-MBNYWOFBSA-N 1 3 315.383 2.961 20 0 DFADHO CCN(CCOC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000271060383 427392470 /nfs/dbraw/zinc/39/24/70/427392470.db2.gz WOFLMSBTTCOQKH-UHFFFAOYSA-N 1 3 319.493 2.685 20 0 DFADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H](C)CN(C)C ZINC000293732465 427416004 /nfs/dbraw/zinc/41/60/04/427416004.db2.gz QDYMHAMMZZBWOR-ZBFHGGJFSA-N 1 3 308.466 2.812 20 0 DFADHO C[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000286073562 427419786 /nfs/dbraw/zinc/41/97/86/427419786.db2.gz LERCVDCGDRRSTO-NXWXRZEISA-N 1 3 302.462 2.648 20 0 DFADHO CN(C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000270434638 427355391 /nfs/dbraw/zinc/35/53/91/427355391.db2.gz IYVJSGQETONJHL-RCCFBDPRSA-N 1 3 300.446 2.795 20 0 DFADHO C[C@@H]([NH2+]CC[C@H](C)CCO)c1cccc(OCCN(C)C)c1 ZINC000297225249 427364865 /nfs/dbraw/zinc/36/48/65/427364865.db2.gz HMWHRQCIVOPABJ-JKSUJKDBSA-N 1 3 308.466 2.686 20 0 DFADHO COc1ccc(C(=O)CCN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000285899282 427367779 /nfs/dbraw/zinc/36/77/79/427367779.db2.gz GSVANZGZOAWHFR-UHFFFAOYSA-N 1 3 318.461 2.932 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000263263948 427448421 /nfs/dbraw/zinc/44/84/21/427448421.db2.gz RIBIVKJMQGWHNT-LMMKCTJWSA-N 1 3 317.477 2.834 20 0 DFADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000263299563 427456400 /nfs/dbraw/zinc/45/64/00/427456400.db2.gz ZAINGNUPLNSQCR-DLBZAZTESA-N 1 3 321.509 2.761 20 0 DFADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000263299563 427456406 /nfs/dbraw/zinc/45/64/06/427456406.db2.gz ZAINGNUPLNSQCR-DLBZAZTESA-N 1 3 321.509 2.761 20 0 DFADHO C[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000286073565 427419991 /nfs/dbraw/zinc/41/99/91/427419991.db2.gz LERCVDCGDRRSTO-OQIJWPOYSA-N 1 3 302.462 2.648 20 0 DFADHO CC(C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)N(C)C ZINC000340953118 271764085 /nfs/dbraw/zinc/76/40/85/271764085.db2.gz MGSIMVWOBGFADM-QGZVFWFLSA-N 1 3 323.525 2.878 20 0 DFADHO Clc1ccc(CNC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000297747443 427443997 /nfs/dbraw/zinc/44/39/97/427443997.db2.gz UBOMSJZOUPSVRX-UHFFFAOYSA-N 1 3 302.809 2.889 20 0 DFADHO C[C@@H](CO)CCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000271454709 427545420 /nfs/dbraw/zinc/54/54/20/427545420.db2.gz GPCDTYGANXYFKT-HZPDHXFCSA-N 1 3 308.466 2.686 20 0 DFADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192141543 427490178 /nfs/dbraw/zinc/49/01/78/427490178.db2.gz IGFWWKGRKATDMT-IAOVAPTHSA-N 1 3 310.388 2.869 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)C)cc1 ZINC000263931333 427613941 /nfs/dbraw/zinc/61/39/41/427613941.db2.gz YDJSMBLBXOOCJP-GOSISDBHSA-N 1 3 317.477 2.695 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000298318389 427569216 /nfs/dbraw/zinc/56/92/16/427569216.db2.gz XLDAGTLMSFNLDL-INIZCTEOSA-N 1 3 317.477 2.533 20 0 DFADHO CN(C[C@@H]1CCCCO1)[C@H]1CCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC000338937903 427570149 /nfs/dbraw/zinc/57/01/49/427570149.db2.gz CPBRGMWGXPEWID-GBESFXJTSA-N 1 3 324.509 2.911 20 0 DFADHO CN(C[C@@H]1CCCCO1)[C@H]1CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC000338937903 427570157 /nfs/dbraw/zinc/57/01/57/427570157.db2.gz CPBRGMWGXPEWID-GBESFXJTSA-N 1 3 324.509 2.911 20 0 DFADHO CCCCOCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000338940912 427573914 /nfs/dbraw/zinc/57/39/14/427573914.db2.gz ZMIDIDWKMGAXLQ-CALCHBBNSA-N 1 3 312.498 2.624 20 0 DFADHO CC[C@H](O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000339008967 427623192 /nfs/dbraw/zinc/62/31/92/427623192.db2.gz DOGLRPMVCKUDJR-RBUKOAKNSA-N 1 3 302.462 2.745 20 0 DFADHO c1cc(N2CCC([NH2+]CCOC3CCCCC3)CC2)ccn1 ZINC000298348297 427580827 /nfs/dbraw/zinc/58/08/27/427580827.db2.gz JPDQYCCHGVEMJN-UHFFFAOYSA-N 1 3 303.450 2.989 20 0 DFADHO CC[C@H](O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000339008967 427623198 /nfs/dbraw/zinc/62/31/98/427623198.db2.gz DOGLRPMVCKUDJR-RBUKOAKNSA-N 1 3 302.462 2.745 20 0 DFADHO C[C@H](O)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298369556 427585992 /nfs/dbraw/zinc/58/59/92/427585992.db2.gz KRINMYYVJGMBFV-HNNXBMFYSA-N 1 3 311.429 2.894 20 0 DFADHO CCN(CC)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cn1 ZINC000192706371 427593546 /nfs/dbraw/zinc/59/35/46/427593546.db2.gz GCZNLKSACQPZED-ALOPSCKCSA-N 1 3 302.466 2.643 20 0 DFADHO C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)N1CCc2sccc2C1 ZINC000192751737 427601421 /nfs/dbraw/zinc/60/14/21/427601421.db2.gz MSZXAIGWVVVECV-LNRIEFBSSA-N 1 3 319.518 2.710 20 0 DFADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCc2sccc2C1 ZINC000192751737 427601429 /nfs/dbraw/zinc/60/14/29/427601429.db2.gz MSZXAIGWVVVECV-LNRIEFBSSA-N 1 3 319.518 2.710 20 0 DFADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCc2sccc2C1 ZINC000192751737 427601436 /nfs/dbraw/zinc/60/14/36/427601436.db2.gz MSZXAIGWVVVECV-LNRIEFBSSA-N 1 3 319.518 2.710 20 0 DFADHO CN(CC[NH2+]C1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000298419865 427605027 /nfs/dbraw/zinc/60/50/27/427605027.db2.gz MLQWTNCNSLEGEO-UHFFFAOYSA-N 1 3 302.466 2.514 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287552420 427634730 /nfs/dbraw/zinc/63/47/30/427634730.db2.gz AQYLWWUHHPEZAK-WBVHZDCISA-N 1 3 310.869 2.517 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287552420 427634738 /nfs/dbraw/zinc/63/47/38/427634738.db2.gz AQYLWWUHHPEZAK-WBVHZDCISA-N 1 3 310.869 2.517 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cccc(-n2ccnn2)c1 ZINC000287558201 427638289 /nfs/dbraw/zinc/63/82/89/427638289.db2.gz GBOQQIKZGJHYKV-BHYGNILZSA-N 1 3 313.449 2.791 20 0 DFADHO CN(C)[C@H](C[NH2+]C1CCN(C2CC2)CC1)c1ccc(F)cc1 ZINC000298555261 427649912 /nfs/dbraw/zinc/64/99/12/427649912.db2.gz VHBQEFXBQRKCOM-GOSISDBHSA-N 1 3 305.441 2.645 20 0 DFADHO CN(C)[C@H](CNC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000298555261 427649916 /nfs/dbraw/zinc/64/99/16/427649916.db2.gz VHBQEFXBQRKCOM-GOSISDBHSA-N 1 3 305.441 2.645 20 0 DFADHO C[C@H]1C[C@H]([NH2+]Cc2ccncc2OCCN(C)C)C[C@@H](C)C1 ZINC000342417521 272008855 /nfs/dbraw/zinc/00/88/55/272008855.db2.gz HQTTUCYSQFDZIA-QLPKVWCKSA-N 1 3 305.466 2.936 20 0 DFADHO CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)N(CC)CC ZINC000342565840 272025413 /nfs/dbraw/zinc/02/54/13/272025413.db2.gz HTEIRRNAERXMOU-IXDOHACOSA-N 1 3 309.498 2.581 20 0 DFADHO CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)N(CC)CC ZINC000342565840 272025415 /nfs/dbraw/zinc/02/54/15/272025415.db2.gz HTEIRRNAERXMOU-IXDOHACOSA-N 1 3 309.498 2.581 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)[C@@H]1CCCO1 ZINC000342812191 272057061 /nfs/dbraw/zinc/05/70/61/272057061.db2.gz JSSHGOPDVVTOQJ-BEFAXECRSA-N 1 3 318.461 2.817 20 0 DFADHO C[C@H]1C[N@H+](C)C[C@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000342902704 272065600 /nfs/dbraw/zinc/06/56/00/272065600.db2.gz PFDIXGWKALXHFR-WMLDXEAASA-N 1 3 305.491 2.597 20 0 DFADHO C[C@H]1C[N@@H+](C)C[C@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000342902704 272065602 /nfs/dbraw/zinc/06/56/02/272065602.db2.gz PFDIXGWKALXHFR-WMLDXEAASA-N 1 3 305.491 2.597 20 0 DFADHO c1ccc([C@@H]2OCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000343335245 272121108 /nfs/dbraw/zinc/12/11/08/272121108.db2.gz HWUKPECPGOSWPY-XWSJACJDSA-N 1 3 300.446 2.981 20 0 DFADHO c1ccc([C@@H]2OCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000343335245 272121111 /nfs/dbraw/zinc/12/11/11/272121111.db2.gz HWUKPECPGOSWPY-XWSJACJDSA-N 1 3 300.446 2.981 20 0 DFADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000343641138 272191310 /nfs/dbraw/zinc/19/13/10/272191310.db2.gz NXUQHLQVBQUJLU-QZTJIDSGSA-N 1 3 321.509 2.774 20 0 DFADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000343641138 272191313 /nfs/dbraw/zinc/19/13/13/272191313.db2.gz NXUQHLQVBQUJLU-QZTJIDSGSA-N 1 3 321.509 2.774 20 0 DFADHO CCOc1cc2nccc(N[C@H](C)C[NH+](C)C)c2cc1OCC ZINC000343785056 272218771 /nfs/dbraw/zinc/21/87/71/272218771.db2.gz FVSVZLJUDHHGSE-CYBMUJFWSA-N 1 3 317.433 2.816 20 0 DFADHO CCN1C[C@H](C)[C@H]([NH2+]CC2CCN(Cc3cccs3)CC2)C1 ZINC000343990450 272248539 /nfs/dbraw/zinc/24/85/39/272248539.db2.gz UXIAGRSXUTXWBG-MAUKXSAKSA-N 1 3 321.534 2.890 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000344106992 272265085 /nfs/dbraw/zinc/26/50/85/272265085.db2.gz UREJQYKVWZPOLP-IAGOWNOFSA-N 1 3 303.450 2.690 20 0 DFADHO CN1CCCN(CCC[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344161129 272276950 /nfs/dbraw/zinc/27/69/50/272276950.db2.gz GDVHDCZYXYZJMK-IBGZPJMESA-N 1 3 319.468 2.820 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171401 272279341 /nfs/dbraw/zinc/27/93/41/272279341.db2.gz RVTYITIDCQMCGX-MOPGFXCFSA-N 1 3 320.452 2.537 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171401 272279342 /nfs/dbraw/zinc/27/93/42/272279342.db2.gz RVTYITIDCQMCGX-MOPGFXCFSA-N 1 3 320.452 2.537 20 0 DFADHO C/C(=C/c1ccccc1)C[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000344222006 272290352 /nfs/dbraw/zinc/29/03/52/272290352.db2.gz RDDPHSHYUSSFPC-GTVARFKMSA-N 1 3 302.462 2.772 20 0 DFADHO CC(C)CCOc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000344582303 272341943 /nfs/dbraw/zinc/34/19/43/272341943.db2.gz LDUKOCMRZXOMNT-UHFFFAOYSA-N 1 3 320.477 2.658 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(C3CCC3)s2)CC1 ZINC000344663792 272353239 /nfs/dbraw/zinc/35/32/39/272353239.db2.gz AMCAPSSYZWMLFP-UHFFFAOYSA-N 1 3 323.506 2.736 20 0 DFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000344680688 272356329 /nfs/dbraw/zinc/35/63/29/272356329.db2.gz YNUCYODYBYVILH-MRXNPFEDSA-N 1 3 323.525 2.735 20 0 DFADHO CN(C)[C@H]1CCC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287779726 427690600 /nfs/dbraw/zinc/69/06/00/427690600.db2.gz NIQXZEUZFQEABD-IRXDYDNUSA-N 1 3 310.869 2.660 20 0 DFADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287779726 427690605 /nfs/dbraw/zinc/69/06/05/427690605.db2.gz NIQXZEUZFQEABD-IRXDYDNUSA-N 1 3 310.869 2.660 20 0 DFADHO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](CCCN2CCCC2)C1 ZINC000193461489 427693552 /nfs/dbraw/zinc/69/35/52/427693552.db2.gz JYISOQRGFZDCEG-KRWDZBQOSA-N 1 3 315.461 2.823 20 0 DFADHO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](CCCN2CCCC2)C1 ZINC000193461489 427693558 /nfs/dbraw/zinc/69/35/58/427693558.db2.gz JYISOQRGFZDCEG-KRWDZBQOSA-N 1 3 315.461 2.823 20 0 DFADHO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)[C@@H]1CCCN(C2CCC2)C1 ZINC000185716269 427694696 /nfs/dbraw/zinc/69/46/96/427694696.db2.gz HMFHDOJPXZBETO-NBPAUJCUSA-N 1 3 314.473 2.887 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272278113 427696824 /nfs/dbraw/zinc/69/68/24/427696824.db2.gz CMJONURMUSGRDS-PIKOESSRSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272278114 427696871 /nfs/dbraw/zinc/69/68/71/427696871.db2.gz CMJONURMUSGRDS-QGZVKYPTSA-N 1 3 315.505 2.969 20 0 DFADHO CC(C)N1CCC([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000279568215 427702699 /nfs/dbraw/zinc/70/26/99/427702699.db2.gz SNAJYFVZEGUQKB-MRXNPFEDSA-N 1 3 314.832 2.975 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000339339235 427756515 /nfs/dbraw/zinc/75/65/15/427756515.db2.gz DZLWNOULQWAEIB-RDJZCZTQSA-N 1 3 308.466 2.740 20 0 DFADHO C[C@@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)N1CCCCCC1 ZINC000339199815 427727300 /nfs/dbraw/zinc/72/73/00/427727300.db2.gz BSDPZCVFSOKNAN-KRWDZBQOSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)N1CCCCCC1 ZINC000339199815 427727304 /nfs/dbraw/zinc/72/73/04/427727304.db2.gz BSDPZCVFSOKNAN-KRWDZBQOSA-N 1 3 321.509 2.585 20 0 DFADHO CN(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336704741 427748707 /nfs/dbraw/zinc/74/87/07/427748707.db2.gz GVLCLJCBBJUPLP-RTBURBONSA-N 1 3 301.478 2.677 20 0 DFADHO CN(CC[C@H]1CCC[N@H+]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336704741 427748709 /nfs/dbraw/zinc/74/87/09/427748709.db2.gz GVLCLJCBBJUPLP-RTBURBONSA-N 1 3 301.478 2.677 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)CC1 ZINC000339714149 427816408 /nfs/dbraw/zinc/81/64/08/427816408.db2.gz AYBRYUPFWRXOCX-QZTJIDSGSA-N 1 3 307.526 2.913 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)CC1 ZINC000339714149 427816409 /nfs/dbraw/zinc/81/64/09/427816409.db2.gz AYBRYUPFWRXOCX-QZTJIDSGSA-N 1 3 307.526 2.913 20 0 DFADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC000337312302 427838519 /nfs/dbraw/zinc/83/85/19/427838519.db2.gz FCJMALFGJCLRBO-LJQANCHMSA-N 1 3 316.493 2.538 20 0 DFADHO CC(C)N1CCN(CCC[NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000337312301 427838762 /nfs/dbraw/zinc/83/87/62/427838762.db2.gz FCJMALFGJCLRBO-IBGZPJMESA-N 1 3 316.493 2.538 20 0 DFADHO c1ccc(CN2CC[C@@H](N3CCC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000355686048 427847835 /nfs/dbraw/zinc/84/78/35/427847835.db2.gz YSMQEZNTXVTMAI-WOJBJXKFSA-N 1 3 313.489 2.821 20 0 DFADHO CC(C)[C@H](Cn1cccn1)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000340472562 427855979 /nfs/dbraw/zinc/85/59/79/427855979.db2.gz DMHYPZSNXPKASF-KURKYZTESA-N 1 3 306.498 2.865 20 0 DFADHO CC(C)[C@H](Cn1cccn1)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000340472562 427855984 /nfs/dbraw/zinc/85/59/84/427855984.db2.gz DMHYPZSNXPKASF-KURKYZTESA-N 1 3 306.498 2.865 20 0 DFADHO CCCC[C@@H](C)C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000337485324 427926427 /nfs/dbraw/zinc/92/64/27/427926427.db2.gz YUCLZOCBAVEVEM-IAGOWNOFSA-N 1 3 311.514 2.687 20 0 DFADHO CCCC[C@@H](C)C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000337485324 427926432 /nfs/dbraw/zinc/92/64/32/427926432.db2.gz YUCLZOCBAVEVEM-IAGOWNOFSA-N 1 3 311.514 2.687 20 0 DFADHO COC1(C[NH2+]CC2CCN(c3ccncc3)CC2)CCCC1 ZINC000359698201 427977210 /nfs/dbraw/zinc/97/72/10/427977210.db2.gz DVULMCDUAGUIOP-UHFFFAOYSA-N 1 3 303.450 2.847 20 0 DFADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)c1ccc(F)cc1 ZINC000305068450 427951237 /nfs/dbraw/zinc/95/12/37/427951237.db2.gz JZJMBNMOXLWBSJ-GOSISDBHSA-N 1 3 306.425 2.856 20 0 DFADHO CN1CCC(C[N@H+](C)Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346142259 428033684 /nfs/dbraw/zinc/03/36/84/428033684.db2.gz OZGABEYFRXSMOO-UHFFFAOYSA-N 1 3 304.463 2.707 20 0 DFADHO CN1CCC(C[N@@H+](C)Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346142259 428033688 /nfs/dbraw/zinc/03/36/88/428033688.db2.gz OZGABEYFRXSMOO-UHFFFAOYSA-N 1 3 304.463 2.707 20 0 DFADHO CN(Cc1cc(-n2ccnc2)cs1)C[C@H]1CCC[N@H+](C)C1 ZINC000346142277 428034124 /nfs/dbraw/zinc/03/41/24/428034124.db2.gz PAUNZHBQIQHISR-AWEZNQCLSA-N 1 3 304.463 2.707 20 0 DFADHO CN(Cc1cc(-n2ccnc2)cs1)C[C@H]1CCC[N@@H+](C)C1 ZINC000346142277 428034129 /nfs/dbraw/zinc/03/41/29/428034129.db2.gz PAUNZHBQIQHISR-AWEZNQCLSA-N 1 3 304.463 2.707 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000346170990 428050689 /nfs/dbraw/zinc/05/06/89/428050689.db2.gz NOAMEHLEBHYNIK-RHSMWYFYSA-N 1 3 316.474 2.850 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000346170990 428050693 /nfs/dbraw/zinc/05/06/93/428050693.db2.gz NOAMEHLEBHYNIK-RHSMWYFYSA-N 1 3 316.474 2.850 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000346170990 428050698 /nfs/dbraw/zinc/05/06/98/428050698.db2.gz NOAMEHLEBHYNIK-RHSMWYFYSA-N 1 3 316.474 2.850 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000346170990 428050704 /nfs/dbraw/zinc/05/07/04/428050704.db2.gz NOAMEHLEBHYNIK-RHSMWYFYSA-N 1 3 316.474 2.850 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000346170989 428051513 /nfs/dbraw/zinc/05/15/13/428051513.db2.gz NOAMEHLEBHYNIK-PBHICJAKSA-N 1 3 316.474 2.850 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000346170989 428051516 /nfs/dbraw/zinc/05/15/16/428051516.db2.gz NOAMEHLEBHYNIK-PBHICJAKSA-N 1 3 316.474 2.850 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000346170989 428051518 /nfs/dbraw/zinc/05/15/18/428051518.db2.gz NOAMEHLEBHYNIK-PBHICJAKSA-N 1 3 316.474 2.850 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000346170989 428051522 /nfs/dbraw/zinc/05/15/22/428051522.db2.gz NOAMEHLEBHYNIK-PBHICJAKSA-N 1 3 316.474 2.850 20 0 DFADHO C[C@H](Cc1nc(-c2ccccc2)no1)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000359884530 428059613 /nfs/dbraw/zinc/05/96/13/428059613.db2.gz YMVVXGFJUPMEGB-IIAWOOMASA-N 1 3 314.433 2.740 20 0 DFADHO C[C@H](Cc1nc(-c2ccccc2)no1)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000359884530 428059623 /nfs/dbraw/zinc/05/96/23/428059623.db2.gz YMVVXGFJUPMEGB-IIAWOOMASA-N 1 3 314.433 2.740 20 0 DFADHO CC(C)[C@@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)N(C)C ZINC000341522949 428090594 /nfs/dbraw/zinc/09/05/94/428090594.db2.gz HHDCEWMLIIFXCG-SFHVURJKSA-N 1 3 317.477 2.848 20 0 DFADHO CC(C)[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)N(C)C ZINC000341522949 428090597 /nfs/dbraw/zinc/09/05/97/428090597.db2.gz HHDCEWMLIIFXCG-SFHVURJKSA-N 1 3 317.477 2.848 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC[C@H](O)CCc2ccccc2)CC1 ZINC000346282127 428106914 /nfs/dbraw/zinc/10/69/14/428106914.db2.gz VRYBNEJXABZLNK-GOSISDBHSA-N 1 3 304.478 2.833 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)c1 ZINC000370017839 428111055 /nfs/dbraw/zinc/11/10/55/428111055.db2.gz KYNJIHCJTCYRAH-WBVHZDCISA-N 1 3 301.434 2.561 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)c1 ZINC000370017839 428111060 /nfs/dbraw/zinc/11/10/60/428111060.db2.gz KYNJIHCJTCYRAH-WBVHZDCISA-N 1 3 301.434 2.561 20 0 DFADHO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000370110579 428137220 /nfs/dbraw/zinc/13/72/20/428137220.db2.gz ISSBBPJGVUQIPJ-DOTOQJQBSA-N 1 3 317.477 2.514 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000346360633 428140944 /nfs/dbraw/zinc/14/09/44/428140944.db2.gz JGLAFRRCRFZMPF-MUGJNUQGSA-N 1 3 314.473 2.913 20 0 DFADHO c1cnn(-c2ccc(C[NH2+]C3CC(N4CCCCC4)C3)cc2)c1 ZINC000370131746 428141011 /nfs/dbraw/zinc/14/10/11/428141011.db2.gz LIQYNTDWJDDKES-UHFFFAOYSA-N 1 3 310.445 2.979 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000360040344 428130197 /nfs/dbraw/zinc/13/01/97/428130197.db2.gz UHYJHXGWALZUCE-NSISKUIASA-N 1 3 315.505 2.827 20 0 DFADHO CN(CCSC(C)(C)C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370286378 428177465 /nfs/dbraw/zinc/17/74/65/428177465.db2.gz VEJJZBBKPNJSBT-MRXNPFEDSA-N 1 3 313.555 2.618 20 0 DFADHO CN(CCSC(C)(C)C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370286378 428177471 /nfs/dbraw/zinc/17/74/71/428177471.db2.gz VEJJZBBKPNJSBT-MRXNPFEDSA-N 1 3 313.555 2.618 20 0 DFADHO COCCOc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000377633947 428178760 /nfs/dbraw/zinc/17/87/60/428178760.db2.gz WBBZQVGICUGAAZ-JWTNVVGKSA-N 1 3 318.461 2.769 20 0 DFADHO COCCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000377633947 428178764 /nfs/dbraw/zinc/17/87/64/428178764.db2.gz WBBZQVGICUGAAZ-JWTNVVGKSA-N 1 3 318.461 2.769 20 0 DFADHO CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC[C@H]1CCCC[N@@H+]1C ZINC000370495680 428222170 /nfs/dbraw/zinc/22/21/70/428222170.db2.gz BQTFCUJODHVGQL-FGTMMUONSA-N 1 3 321.509 2.726 20 0 DFADHO CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC[C@H]1CCCC[N@H+]1C ZINC000370495680 428222175 /nfs/dbraw/zinc/22/21/75/428222175.db2.gz BQTFCUJODHVGQL-FGTMMUONSA-N 1 3 321.509 2.726 20 0 DFADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1nc2ccccc2n1C ZINC000414184818 428227229 /nfs/dbraw/zinc/22/72/29/428227229.db2.gz OJMRJWOCEYEBQC-GJZGRUSLSA-N 1 3 300.450 2.956 20 0 DFADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1nc2ccccc2n1C ZINC000414184818 428227234 /nfs/dbraw/zinc/22/72/34/428227234.db2.gz OJMRJWOCEYEBQC-GJZGRUSLSA-N 1 3 300.450 2.956 20 0 DFADHO COC(=O)c1csc([C@@H](C)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000414184676 428227732 /nfs/dbraw/zinc/22/77/32/428227732.db2.gz OCSCKBCIGRYGEN-CHWSQXEVSA-N 1 3 310.463 2.917 20 0 DFADHO COC(=O)c1csc([C@@H](C)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414184676 428227738 /nfs/dbraw/zinc/22/77/38/428227738.db2.gz OCSCKBCIGRYGEN-CHWSQXEVSA-N 1 3 310.463 2.917 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CNC/C=C\c1ccc(F)c(F)c1 ZINC000352763105 428236252 /nfs/dbraw/zinc/23/62/52/428236252.db2.gz GRZSPRNTBLLTHF-IYKSTZQJSA-N 1 3 312.404 2.924 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000346481334 428188559 /nfs/dbraw/zinc/18/85/59/428188559.db2.gz GOFTUMCIJPOCHD-YJBOKZPZSA-N 1 3 317.477 2.551 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000346481334 428188563 /nfs/dbraw/zinc/18/85/63/428188563.db2.gz GOFTUMCIJPOCHD-YJBOKZPZSA-N 1 3 317.477 2.551 20 0 DFADHO Cc1cnn(C)c1C[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000377678027 428192947 /nfs/dbraw/zinc/19/29/47/428192947.db2.gz SFLHNDFJQDTFDM-IEBWSBKVSA-N 1 3 312.461 2.901 20 0 DFADHO COc1cccc(CN(C)C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000377696295 428200104 /nfs/dbraw/zinc/20/01/04/428200104.db2.gz HACOOXCMKULLSS-UHFFFAOYSA-N 1 3 312.417 2.586 20 0 DFADHO CCCN[C@@H](C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000346671479 428265648 /nfs/dbraw/zinc/26/56/48/428265648.db2.gz ITJRXEGBKDHLNK-INIZCTEOSA-N 1 3 309.498 2.680 20 0 DFADHO c1cc2c(cc1CCCN[C@H]1CC[N@@H+]3CCC[C@@H]3C1)OCCO2 ZINC000414376329 428276543 /nfs/dbraw/zinc/27/65/43/428276543.db2.gz HGMXKKLYTWWANJ-DLBZAZTESA-N 1 3 316.445 2.607 20 0 DFADHO c1cc2c(cc1CCCN[C@H]1CC[N@H+]3CCC[C@@H]3C1)OCCO2 ZINC000414376329 428276547 /nfs/dbraw/zinc/27/65/47/428276547.db2.gz HGMXKKLYTWWANJ-DLBZAZTESA-N 1 3 316.445 2.607 20 0 DFADHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1F ZINC000370708316 428281784 /nfs/dbraw/zinc/28/17/84/428281784.db2.gz PMHMXNCDONEFRL-QFBILLFUSA-N 1 3 319.468 2.592 20 0 DFADHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1F ZINC000370708316 428281789 /nfs/dbraw/zinc/28/17/89/428281789.db2.gz PMHMXNCDONEFRL-QFBILLFUSA-N 1 3 319.468 2.592 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342080166 428295084 /nfs/dbraw/zinc/29/50/84/428295084.db2.gz FZTRCBAETDVRCI-SQWLQELKSA-N 1 3 319.424 2.522 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C)[C@@H]2c2cccs2)CCN1C ZINC000370620100 428254729 /nfs/dbraw/zinc/25/47/29/428254729.db2.gz KOMKAZMPNICXGC-ANQUJSFKSA-N 1 3 307.507 2.813 20 0 DFADHO CC[C@@H](NCCC[NH+]1CCC(O)CC1)c1cccc(OC)c1 ZINC000360339423 428258146 /nfs/dbraw/zinc/25/81/46/428258146.db2.gz UHCDCSYPWNIDDR-GOSISDBHSA-N 1 3 306.450 2.583 20 0 DFADHO Cc1cc(CNCC2CC[NH+](Cc3cccs3)CC2)nn1C ZINC000414322370 428260921 /nfs/dbraw/zinc/26/09/21/428260921.db2.gz RZDMYCCPDQUFMS-UHFFFAOYSA-N 1 3 318.490 2.792 20 0 DFADHO CC[NH+](CC)CCOC1CCN(Cc2cccc(C)n2)CC1 ZINC000342115061 428305471 /nfs/dbraw/zinc/30/54/71/428305471.db2.gz RKCBGJSRZVQTPF-UHFFFAOYSA-N 1 3 305.466 2.713 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CS[C@@H](C)C2)CC1 ZINC000414502811 428322318 /nfs/dbraw/zinc/32/23/18/428322318.db2.gz VDMQOICCOFIFIF-DOTOQJQBSA-N 1 3 319.518 2.812 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCN(C)[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000346804832 428325354 /nfs/dbraw/zinc/32/53/54/428325354.db2.gz YFFWIWOAPVDYML-FCEWJHQRSA-N 1 3 319.493 2.760 20 0 DFADHO COC1(C)CCN(C/C=C/C[NH+]2CCC(C)(OC)CC2)CC1 ZINC000342155414 428326397 /nfs/dbraw/zinc/32/63/97/428326397.db2.gz PLEVJQXWGGHJKX-AATRIKPKSA-N 1 3 310.482 2.544 20 0 DFADHO FC(F)(F)CCN1CCC(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000356844009 428334232 /nfs/dbraw/zinc/33/42/32/428334232.db2.gz LYIPOGOZOBEQEA-HUUCEWRRSA-N 1 3 319.415 2.620 20 0 DFADHO FC(F)(F)CCN1CCC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000356844009 428334238 /nfs/dbraw/zinc/33/42/38/428334238.db2.gz LYIPOGOZOBEQEA-HUUCEWRRSA-N 1 3 319.415 2.620 20 0 DFADHO CCOCc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346844746 428342305 /nfs/dbraw/zinc/34/23/05/428342305.db2.gz JWHIPOSZAJCDDH-JQHSSLGASA-N 1 3 318.461 2.791 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(OCc4ccccn4)c3)C[C@H]12 ZINC000346854216 428347924 /nfs/dbraw/zinc/34/79/24/428347924.db2.gz TZMKRQZENQVNRB-FFZOFVMBSA-N 1 3 323.440 2.830 20 0 DFADHO CCc1cccnc1[C@@H](C)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000356887503 428350527 /nfs/dbraw/zinc/35/05/27/428350527.db2.gz YOWYGPGAWFLSJL-NVXWUHKLSA-N 1 3 305.466 2.532 20 0 DFADHO CCc1cccnc1[C@@H](C)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000356887503 428350531 /nfs/dbraw/zinc/35/05/31/428350531.db2.gz YOWYGPGAWFLSJL-NVXWUHKLSA-N 1 3 305.466 2.532 20 0 DFADHO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000414796642 428413940 /nfs/dbraw/zinc/41/39/40/428413940.db2.gz HXHAVLAZYOYHSQ-GRDNDAEWSA-N 1 3 319.449 2.519 20 0 DFADHO COc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414796642 428413944 /nfs/dbraw/zinc/41/39/44/428413944.db2.gz HXHAVLAZYOYHSQ-GRDNDAEWSA-N 1 3 319.449 2.519 20 0 DFADHO CC(C)C[C@H](N)C[N@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000414750875 428392918 /nfs/dbraw/zinc/39/29/18/428392918.db2.gz YZQVPRQOILCNNF-IRXDYDNUSA-N 1 3 308.466 2.510 20 0 DFADHO CC(C)C[C@H](N)C[N@@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000414750875 428392922 /nfs/dbraw/zinc/39/29/22/428392922.db2.gz YZQVPRQOILCNNF-IRXDYDNUSA-N 1 3 308.466 2.510 20 0 DFADHO CCC[N@@H+]1CCC[C@@H]1CNCc1cn(-c2ccncc2)nc1C ZINC000353129268 428394122 /nfs/dbraw/zinc/39/41/22/428394122.db2.gz SXXHUGPQCOCZED-GOSISDBHSA-N 1 3 313.449 2.540 20 0 DFADHO CCC[N@H+]1CCC[C@@H]1CNCc1cn(-c2ccncc2)nc1C ZINC000353129268 428394128 /nfs/dbraw/zinc/39/41/28/428394128.db2.gz SXXHUGPQCOCZED-GOSISDBHSA-N 1 3 313.449 2.540 20 0 DFADHO CCCN1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000353129268 428394131 /nfs/dbraw/zinc/39/41/31/428394131.db2.gz SXXHUGPQCOCZED-GOSISDBHSA-N 1 3 313.449 2.540 20 0 DFADHO C[C@@H]1CCc2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)sc2C1 ZINC000414763384 428399051 /nfs/dbraw/zinc/39/90/51/428399051.db2.gz BTMGOCYELCFFGU-MCIONIFRSA-N 1 3 305.491 2.699 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NC2CC[NH2+]CC2)c(Cl)c1 ZINC000414773890 428399808 /nfs/dbraw/zinc/39/98/08/428399808.db2.gz AGFBSDOAMKZNLB-GFCCVEGCSA-N 1 3 309.841 2.707 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CCNCC2)c(Cl)c1 ZINC000414773890 428399811 /nfs/dbraw/zinc/39/98/11/428399811.db2.gz AGFBSDOAMKZNLB-GFCCVEGCSA-N 1 3 309.841 2.707 20 0 DFADHO c1nn(Cc2ccccc2)cc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780634 428404867 /nfs/dbraw/zinc/40/48/67/428404867.db2.gz LUKJVLCUHONJQC-UXHICEINSA-N 1 3 324.472 2.753 20 0 DFADHO CC(C)c1ccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414785201 428407215 /nfs/dbraw/zinc/40/72/15/428407215.db2.gz JIYFRJPXPBUOGN-GOSISDBHSA-N 1 3 302.462 2.997 20 0 DFADHO CC[C@@H](C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000414786288 428411091 /nfs/dbraw/zinc/41/10/91/428411091.db2.gz UMRZBGBLBPWKOV-FUHWJXTLSA-N 1 3 302.462 2.868 20 0 DFADHO CC[C@@H](C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000414786288 428411095 /nfs/dbraw/zinc/41/10/95/428411095.db2.gz UMRZBGBLBPWKOV-FUHWJXTLSA-N 1 3 302.462 2.868 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(Oc2cnccn2)cc1 ZINC000414792949 428413104 /nfs/dbraw/zinc/41/31/04/428413104.db2.gz CUFUQGKDVXBWRP-DOTOQJQBSA-N 1 3 312.417 2.876 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H]2C(F)F)CC1 ZINC000342224678 428357964 /nfs/dbraw/zinc/35/79/64/428357964.db2.gz JBHBXWYJZNPRRC-LSDHHAIUSA-N 1 3 309.404 2.572 20 0 DFADHO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414682804 428373628 /nfs/dbraw/zinc/37/36/28/428373628.db2.gz YYTFGZBWNCGFTP-UONOGXRCSA-N 1 3 323.868 2.530 20 0 DFADHO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414682804 428373634 /nfs/dbraw/zinc/37/36/34/428373634.db2.gz YYTFGZBWNCGFTP-UONOGXRCSA-N 1 3 323.868 2.530 20 0 DFADHO Cc1cc(C)c(NC(=O)CN(C)C[C@@H]2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000414675775 428373809 /nfs/dbraw/zinc/37/38/09/428373809.db2.gz MMZAUESVNINGBE-DLBZAZTESA-N 1 3 317.477 2.870 20 0 DFADHO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414682798 428374016 /nfs/dbraw/zinc/37/40/16/428374016.db2.gz YYTFGZBWNCGFTP-KBPBESRZSA-N 1 3 323.868 2.530 20 0 DFADHO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414682798 428374021 /nfs/dbraw/zinc/37/40/21/428374021.db2.gz YYTFGZBWNCGFTP-KBPBESRZSA-N 1 3 323.868 2.530 20 0 DFADHO Cc1cc(C)c(NC(=O)CN(C)C[C@H]2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000414675910 428374194 /nfs/dbraw/zinc/37/41/94/428374194.db2.gz MMZAUESVNINGBE-SJORKVTESA-N 1 3 317.477 2.870 20 0 DFADHO CC(C)[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414688522 428375015 /nfs/dbraw/zinc/37/50/15/428375015.db2.gz DRDYLJGNVNKWLP-LPHOPBHVSA-N 1 3 317.477 2.513 20 0 DFADHO CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414688522 428375022 /nfs/dbraw/zinc/37/50/22/428375022.db2.gz DRDYLJGNVNKWLP-LPHOPBHVSA-N 1 3 317.477 2.513 20 0 DFADHO CCOC(=O)CCCC[N@@H+]1CCC[C@H](CN2CCCCC2)C1 ZINC000371174197 428376507 /nfs/dbraw/zinc/37/65/07/428376507.db2.gz BTYOITXUSIOKKV-QGZVFWFLSA-N 1 3 310.482 2.918 20 0 DFADHO CCOC(=O)CCCC[N@H+]1CCC[C@H](CN2CCCCC2)C1 ZINC000371174197 428376513 /nfs/dbraw/zinc/37/65/13/428376513.db2.gz BTYOITXUSIOKKV-QGZVFWFLSA-N 1 3 310.482 2.918 20 0 DFADHO C[C@H]1C[N@H+](CCCCC(F)(F)F)CC[C@@H]1N1CCN(C)CC1 ZINC000371301052 428381658 /nfs/dbraw/zinc/38/16/58/428381658.db2.gz CWZANTKCSRPXML-GJZGRUSLSA-N 1 3 321.431 2.677 20 0 DFADHO C[C@H]1C[N@@H+](CCCCC(F)(F)F)CC[C@@H]1N1CCN(C)CC1 ZINC000371301052 428381666 /nfs/dbraw/zinc/38/16/66/428381666.db2.gz CWZANTKCSRPXML-GJZGRUSLSA-N 1 3 321.431 2.677 20 0 DFADHO C[C@H]1CN(CCCCC(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371301052 428381669 /nfs/dbraw/zinc/38/16/69/428381669.db2.gz CWZANTKCSRPXML-GJZGRUSLSA-N 1 3 321.431 2.677 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CC[C@H](F)C2)CC1 ZINC000342291775 428387166 /nfs/dbraw/zinc/38/71/66/428387166.db2.gz NRSUTXZUVODMIY-IRXDYDNUSA-N 1 3 305.441 2.809 20 0 DFADHO [NH3+]C[C@@H]1CCN(Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347075958 428434940 /nfs/dbraw/zinc/43/49/40/428434940.db2.gz UVMGNEINHCSNFR-INIZCTEOSA-N 1 3 306.413 2.806 20 0 DFADHO C[NH2+]CCCNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414858442 428435059 /nfs/dbraw/zinc/43/50/59/428435059.db2.gz JIHYQNFUEKIEJG-UHFFFAOYSA-N 1 3 313.848 2.643 20 0 DFADHO CNCCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414858442 428435062 /nfs/dbraw/zinc/43/50/62/428435062.db2.gz JIHYQNFUEKIEJG-UHFFFAOYSA-N 1 3 313.848 2.643 20 0 DFADHO COCCOc1cccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000347089335 428439644 /nfs/dbraw/zinc/43/96/44/428439644.db2.gz DRZPEEDRYJEBCL-IBGZPJMESA-N 1 3 318.461 2.676 20 0 DFADHO CCOCc1cc(CN2CCC([C@H](C)[NH3+])CC2)ccc1OC ZINC000347088484 428439705 /nfs/dbraw/zinc/43/97/05/428439705.db2.gz FDJVWDZFHNBYHA-AWEZNQCLSA-N 1 3 306.450 2.791 20 0 DFADHO Cc1nc(COc2ccc(C[NH2+]C[C@@H](N)C3CC3)cc2)cs1 ZINC000414895840 428450483 /nfs/dbraw/zinc/45/04/83/428450483.db2.gz ZYOHWKZSBGPEIM-QGZVFWFLSA-N 1 3 317.458 2.857 20 0 DFADHO CC(C)([NH3+])CCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379660173 428451228 /nfs/dbraw/zinc/45/12/28/428451228.db2.gz BUVLSGBPVLYSIV-KRWDZBQOSA-N 1 3 317.477 2.675 20 0 DFADHO C[C@@H]([NH3+])C1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000347117836 428453575 /nfs/dbraw/zinc/45/35/75/428453575.db2.gz XFOCDOLSCHDXMI-GFCCVEGCSA-N 1 3 302.397 2.775 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C[C@H]2C)c(Cl)c1 ZINC000414940898 428462405 /nfs/dbraw/zinc/46/24/05/428462405.db2.gz KZBQVRNORHGXJW-IPYPFGDCSA-N 1 3 323.868 2.953 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCNC[C@H]2C)c(Cl)c1 ZINC000414940898 428462411 /nfs/dbraw/zinc/46/24/11/428462411.db2.gz KZBQVRNORHGXJW-IPYPFGDCSA-N 1 3 323.868 2.953 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414945543 428464549 /nfs/dbraw/zinc/46/45/49/428464549.db2.gz RUQURMMYKLQPFK-YDHLFZDLSA-N 1 3 323.868 2.953 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414945543 428464556 /nfs/dbraw/zinc/46/45/56/428464556.db2.gz RUQURMMYKLQPFK-YDHLFZDLSA-N 1 3 323.868 2.953 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414947228 428464951 /nfs/dbraw/zinc/46/49/51/428464951.db2.gz VSWWFHDFDMHZJM-NUEKZKHPSA-N 1 3 306.450 2.613 20 0 DFADHO CCCOc1ccc(CN2CCC(C[NH2+]C)CC2)cc1OC ZINC000347140062 428466159 /nfs/dbraw/zinc/46/61/59/428466159.db2.gz WAQZKDYYWIWEPS-UHFFFAOYSA-N 1 3 306.450 2.915 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCN1 ZINC000414944852 428467219 /nfs/dbraw/zinc/46/72/19/428467219.db2.gz HLGSNUWDFIJJNK-JFRXWTBNSA-N 1 3 301.478 2.770 20 0 DFADHO C[C@H](NCCCC[NH+](C)C)c1ccc(-n2cncn2)cc1Cl ZINC000360863161 428469140 /nfs/dbraw/zinc/46/91/40/428469140.db2.gz ZMXCSCRRUBDFPF-ZDUSSCGKSA-N 1 3 321.856 2.913 20 0 DFADHO CCCC[C@@H](CN)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414808236 428418118 /nfs/dbraw/zinc/41/81/18/428418118.db2.gz DXDXYNDHZHMUEL-IBGZPJMESA-N 1 3 303.494 2.801 20 0 DFADHO COc1ccc(Br)c(CNCC[C@H]2CC[NH2+]C2)c1 ZINC000414825471 428425420 /nfs/dbraw/zinc/42/54/20/428425420.db2.gz CGOKDKAYXIQYFF-LLVKDONJSA-N 1 3 313.239 2.547 20 0 DFADHO COc1cc(Br)ccc1CNCC[C@H]1CC[NH2+]C1 ZINC000414829887 428428324 /nfs/dbraw/zinc/42/83/24/428428324.db2.gz LHXIHORVCGVUDM-LLVKDONJSA-N 1 3 313.239 2.547 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414844438 428431316 /nfs/dbraw/zinc/43/13/16/428431316.db2.gz RJDXRSUSSAOSSO-CHWSQXEVSA-N 1 3 311.857 2.811 20 0 DFADHO CC[C@@H](N)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414988312 428481641 /nfs/dbraw/zinc/48/16/41/428481641.db2.gz ZPONLISULTYSCV-GFCCVEGCSA-N 1 3 313.848 2.770 20 0 DFADHO CC[C@@H]([NH3+])CNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414988312 428481646 /nfs/dbraw/zinc/48/16/46/428481646.db2.gz ZPONLISULTYSCV-GFCCVEGCSA-N 1 3 313.848 2.770 20 0 DFADHO Cc1ccccc1-n1nccc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415002852 428484465 /nfs/dbraw/zinc/48/44/65/428484465.db2.gz FALALGSTIVXKHQ-ZWKOTPCHSA-N 1 3 310.445 2.658 20 0 DFADHO CC(C)N1CCc2nc(CNC[C@@H]3CCC[C@@H]([NH3+])C3)sc2C1 ZINC000415002336 428485066 /nfs/dbraw/zinc/48/50/66/428485066.db2.gz MBUBKHUVTGAQRK-ZIAGYGMSSA-N 1 3 322.522 2.517 20 0 DFADHO FC(F)(F)c1ncc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000415011214 428488417 /nfs/dbraw/zinc/48/84/17/428488417.db2.gz QONYJRPDHQIUDK-WDEREUQCSA-N 1 3 305.369 2.640 20 0 DFADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CNCCCO1 ZINC000415029382 428493120 /nfs/dbraw/zinc/49/31/20/428493120.db2.gz AWFKKVRTURFDMR-WFASDCNBSA-N 1 3 316.367 2.605 20 0 DFADHO O=c1[nH]c2ccccc2cc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415053658 428500412 /nfs/dbraw/zinc/50/04/12/428500412.db2.gz OZCYIRZPEAMJJY-YJBOKZPZSA-N 1 3 311.429 2.904 20 0 DFADHO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CNCCCO1 ZINC000415048325 428501776 /nfs/dbraw/zinc/50/17/76/428501776.db2.gz XDHBQJFDZOGFPT-RYUDHWBXSA-N 1 3 317.260 2.893 20 0 DFADHO CN(CCC1(O)CCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000396917070 428503778 /nfs/dbraw/zinc/50/37/78/428503778.db2.gz OADBACUCLLHANY-SFHVURJKSA-N 1 3 302.462 2.745 20 0 DFADHO CN(CCC1(O)CCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000396917070 428503783 /nfs/dbraw/zinc/50/37/83/428503783.db2.gz OADBACUCLLHANY-SFHVURJKSA-N 1 3 302.462 2.745 20 0 DFADHO NC[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000415067425 428510923 /nfs/dbraw/zinc/51/09/23/428510923.db2.gz PDYNMLNTBPSFQJ-LJQANCHMSA-N 1 3 301.478 2.758 20 0 DFADHO COc1ccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415068455 428511173 /nfs/dbraw/zinc/51/11/73/428511173.db2.gz RBJXEBCARVAHSZ-DYVFJYSZSA-N 1 3 319.449 2.519 20 0 DFADHO COc1ccccc1N1CCC(N[C@@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000415077540 428511649 /nfs/dbraw/zinc/51/16/49/428511649.db2.gz FKAMPNGUKNVJAN-RDJZCZTQSA-N 1 3 317.477 2.784 20 0 DFADHO CC(C)C[C@@H](N)C[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000415078441 428512180 /nfs/dbraw/zinc/51/21/80/428512180.db2.gz GHKVCFQLUBOPIQ-NVXWUHKLSA-N 1 3 304.482 2.570 20 0 DFADHO CC(C)C[C@@H]([NH3+])CNC1CCN([C@H](C)c2ccncc2)CC1 ZINC000415078441 428512187 /nfs/dbraw/zinc/51/21/87/428512187.db2.gz GHKVCFQLUBOPIQ-NVXWUHKLSA-N 1 3 304.482 2.570 20 0 DFADHO COc1ccccc1N1CCC(NC[C@@H]([NH3+])CC(C)C)CC1 ZINC000415079268 428512880 /nfs/dbraw/zinc/51/28/80/428512880.db2.gz HTLSGKCTJVILST-HNNXBMFYSA-N 1 3 305.466 2.627 20 0 DFADHO C[C@H]1C[C@H](CNCc2cccnc2OCC(F)(F)F)CC[NH2+]1 ZINC000415081655 428513836 /nfs/dbraw/zinc/51/38/36/428513836.db2.gz KRGLULDSLBFUBF-NWDGAFQWSA-N 1 3 317.355 2.500 20 0 DFADHO COc1ccccc1N1CCC(N[C@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000415077538 428513851 /nfs/dbraw/zinc/51/38/51/428513851.db2.gz FKAMPNGUKNVJAN-NVXWUHKLSA-N 1 3 317.477 2.784 20 0 DFADHO CC1CCN([C@H](CNC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000415084479 428514593 /nfs/dbraw/zinc/51/45/93/428514593.db2.gz OOPSTEMETAYAQG-MRXNPFEDSA-N 1 3 307.507 2.863 20 0 DFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000415104132 428521852 /nfs/dbraw/zinc/52/18/52/428521852.db2.gz GOGOHFNRAQDQKF-WOJBJXKFSA-N 1 3 314.473 2.894 20 0 DFADHO C[C@H](Cc1ccccc1Br)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000415115311 428524527 /nfs/dbraw/zinc/52/45/27/428524527.db2.gz GXZPAHXQPDVPHB-MBNYWOFBSA-N 1 3 311.267 2.968 20 0 DFADHO C[C@H](NCC1CC[NH2+]CC1)c1nc(-c2cccc(F)c2)no1 ZINC000415116106 428527085 /nfs/dbraw/zinc/52/70/85/428527085.db2.gz YZMSRKYQWONLRK-NSHDSACASA-N 1 3 304.369 2.526 20 0 DFADHO COCCSCCC[N@@H+]1CCC[C@@H](CN2CCCCC2)C1 ZINC000373246952 428527224 /nfs/dbraw/zinc/52/72/24/428527224.db2.gz PWNVFNLGJXBWGQ-KRWDZBQOSA-N 1 3 314.539 2.954 20 0 DFADHO COCCSCCC[N@H+]1CCC[C@@H](CN2CCCCC2)C1 ZINC000373246952 428527230 /nfs/dbraw/zinc/52/72/30/428527230.db2.gz PWNVFNLGJXBWGQ-KRWDZBQOSA-N 1 3 314.539 2.954 20 0 DFADHO c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3NCCc4ccccc43)CCN2)cc1 ZINC000414960674 428471804 /nfs/dbraw/zinc/47/18/04/428471804.db2.gz UKJORSXQDSDYDL-HLAWJBBLSA-N 1 3 321.468 2.956 20 0 DFADHO c1ccc([C@@H]2C[C@H](NC[C@H]3NCCc4ccccc43)CC[NH2+]2)cc1 ZINC000414960674 428471811 /nfs/dbraw/zinc/47/18/11/428471811.db2.gz UKJORSXQDSDYDL-HLAWJBBLSA-N 1 3 321.468 2.956 20 0 DFADHO C[C@@H]1NCCC[C@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414955263 428473266 /nfs/dbraw/zinc/47/32/66/428473266.db2.gz ODLRCEIKJYEYNE-HNAYVOBHSA-N 1 3 319.468 2.563 20 0 DFADHO C[C@H](NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000390551562 428474143 /nfs/dbraw/zinc/47/41/43/428474143.db2.gz CQNYNUHPGGPHCA-UHOSZYNNSA-N 1 3 301.478 2.771 20 0 DFADHO C[NH2+]CC1CCN(Cc2cccc(OC)c2OC(C)C)CC1 ZINC000347169736 428478745 /nfs/dbraw/zinc/47/87/45/428478745.db2.gz MNCJGDAUHKAAEE-UHFFFAOYSA-N 1 3 306.450 2.914 20 0 DFADHO CC(=O)N1CCC[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000373466596 428583547 /nfs/dbraw/zinc/58/35/47/428583547.db2.gz DDJWZIBPWXSPFN-QGZVFWFLSA-N 1 3 321.509 2.632 20 0 DFADHO CC[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)N(CC)CC ZINC000347481267 428588516 /nfs/dbraw/zinc/58/85/16/428588516.db2.gz LJVUMGSBIHXCDL-KRWDZBQOSA-N 1 3 311.514 2.687 20 0 DFADHO [NH3+]C1(CNCc2ccsc2)CCN(Cc2ccccc2)CC1 ZINC000415133161 428532478 /nfs/dbraw/zinc/53/24/78/428532478.db2.gz MOZODQKNCJLHGA-UHFFFAOYSA-N 1 3 315.486 2.831 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353432879 428533002 /nfs/dbraw/zinc/53/30/02/428533002.db2.gz DAUUGWIXTHOOLE-YSTOQKLRSA-N 1 3 313.489 2.723 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353432879 428533033 /nfs/dbraw/zinc/53/30/33/428533033.db2.gz DAUUGWIXTHOOLE-YSTOQKLRSA-N 1 3 313.489 2.723 20 0 DFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353432879 428533038 /nfs/dbraw/zinc/53/30/38/428533038.db2.gz DAUUGWIXTHOOLE-YSTOQKLRSA-N 1 3 313.489 2.723 20 0 DFADHO CCc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415139416 428534337 /nfs/dbraw/zinc/53/43/37/428534337.db2.gz ZQJIREZIGSCFBR-RBUKOAKNSA-N 1 3 302.462 2.967 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H]2CCC[C@@H]21 ZINC000353439348 428537057 /nfs/dbraw/zinc/53/70/57/428537057.db2.gz WRSLWCZLDRNOTQ-AABGKKOBSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)[C@H]2CCC[C@@H]21 ZINC000353439348 428537060 /nfs/dbraw/zinc/53/70/60/428537060.db2.gz WRSLWCZLDRNOTQ-AABGKKOBSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)[C@H]2CCC[C@@H]21 ZINC000353439348 428537062 /nfs/dbraw/zinc/53/70/62/428537062.db2.gz WRSLWCZLDRNOTQ-AABGKKOBSA-N 1 3 324.472 2.894 20 0 DFADHO CC[C@](CN[C@H](C)C[C@H]1CCC[NH2+]1)(C(=O)OC)c1ccccc1 ZINC000415146887 428537551 /nfs/dbraw/zinc/53/75/51/428537551.db2.gz ZKNQKCNLJXMJIW-SZVBFZGTSA-N 1 3 318.461 2.628 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353451536 428542715 /nfs/dbraw/zinc/54/27/15/428542715.db2.gz AGXSRLSDUHYKGL-NMLBUPMWSA-N 1 3 315.505 2.622 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353451536 428542722 /nfs/dbraw/zinc/54/27/22/428542722.db2.gz AGXSRLSDUHYKGL-NMLBUPMWSA-N 1 3 315.505 2.622 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353451536 428542726 /nfs/dbraw/zinc/54/27/26/428542726.db2.gz AGXSRLSDUHYKGL-NMLBUPMWSA-N 1 3 315.505 2.622 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1cccs1 ZINC000353456374 428544245 /nfs/dbraw/zinc/54/42/45/428544245.db2.gz VSLARSYPDMLRKM-XUWVNRHRSA-N 1 3 307.507 2.813 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1cccs1 ZINC000353456374 428544249 /nfs/dbraw/zinc/54/42/49/428544249.db2.gz VSLARSYPDMLRKM-XUWVNRHRSA-N 1 3 307.507 2.813 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)c1cccs1 ZINC000353456374 428544253 /nfs/dbraw/zinc/54/42/53/428544253.db2.gz VSLARSYPDMLRKM-XUWVNRHRSA-N 1 3 307.507 2.813 20 0 DFADHO C[C@@H](NCC1(N(C)Cc2ccccc2)CCC1)[C@H]1CCC[NH2+]1 ZINC000400514517 428547229 /nfs/dbraw/zinc/54/72/29/428547229.db2.gz GCIRKPNSHMPPIB-SJLPKXTDSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@H](NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400757437 428548980 /nfs/dbraw/zinc/54/89/80/428548980.db2.gz XIIYKCRLCURUST-UHOSZYNNSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@H](CNC[C@H](O)C[NH+]1CCC(C)CC1)Cc1ccccc1 ZINC000347334629 428550123 /nfs/dbraw/zinc/55/01/23/428550123.db2.gz RNICMNQDROLGJS-HKUYNNGSSA-N 1 3 304.478 2.548 20 0 DFADHO Brc1sccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401070451 428551682 /nfs/dbraw/zinc/55/16/82/428551682.db2.gz KCEZFJAFERBHJF-YUSALJHKSA-N 1 3 315.280 2.988 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@@H]1C ZINC000373391410 428565014 /nfs/dbraw/zinc/56/50/14/428565014.db2.gz VSJMTVFLLOTACO-VKJFTORMSA-N 1 3 322.493 2.961 20 0 DFADHO C[N@@H+]1CC[C@H](NCCN2CCc3sccc3C2)[C@H]2CCC[C@@H]21 ZINC000353501039 428566813 /nfs/dbraw/zinc/56/68/13/428566813.db2.gz HQHBDYYSQVWNPJ-IKGGRYGDSA-N 1 3 319.518 2.569 20 0 DFADHO C[N@H+]1CC[C@H](NCCN2CCc3sccc3C2)[C@H]2CCC[C@@H]21 ZINC000353501039 428566815 /nfs/dbraw/zinc/56/68/15/428566815.db2.gz HQHBDYYSQVWNPJ-IKGGRYGDSA-N 1 3 319.518 2.569 20 0 DFADHO CC[C@H](C[NH+]1CCC(N(C)CCCO)CC1)c1ccccc1 ZINC000353503320 428567808 /nfs/dbraw/zinc/56/78/08/428567808.db2.gz IGOWALFMUMIGJV-QGZVFWFLSA-N 1 3 304.478 2.959 20 0 DFADHO CCOc1ccccc1OCCN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404398774 428568104 /nfs/dbraw/zinc/56/81/04/428568104.db2.gz QBKXFLBRISRFQU-CVEARBPZSA-N 1 3 306.450 2.913 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H]2CCN(CC3CCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000353515266 428571841 /nfs/dbraw/zinc/57/18/41/428571841.db2.gz DGNLMMDKTKEXMB-YDZRNGNQSA-N 1 3 305.510 2.713 20 0 DFADHO CN1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353514226 428572716 /nfs/dbraw/zinc/57/27/16/428572716.db2.gz BUDRJFKUCWOIJU-FHWLQOOXSA-N 1 3 305.510 2.856 20 0 DFADHO C[C@H]1C[C@@H]1c1ccc(CN2CCC(OCC[NH+](C)C)CC2)o1 ZINC000353564527 428596426 /nfs/dbraw/zinc/59/64/26/428596426.db2.gz CSAQEACUONPNGE-YOEHRIQHSA-N 1 3 306.450 2.946 20 0 DFADHO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccccc1CCN(C)C ZINC000415559842 428596476 /nfs/dbraw/zinc/59/64/76/428596476.db2.gz FHVICSJGESBSNG-GOSISDBHSA-N 1 3 320.481 2.676 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347531639 428599532 /nfs/dbraw/zinc/59/95/32/428599532.db2.gz OIFPOPJSFGQHIX-HNNXBMFYSA-N 1 3 315.461 2.532 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347531639 428599537 /nfs/dbraw/zinc/59/95/37/428599537.db2.gz OIFPOPJSFGQHIX-HNNXBMFYSA-N 1 3 315.461 2.532 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000415907123 428621961 /nfs/dbraw/zinc/62/19/61/428621961.db2.gz MODOEPYQSURERY-PBHICJAKSA-N 1 3 318.465 2.743 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000415925263 428628062 /nfs/dbraw/zinc/62/80/62/428628062.db2.gz XJRIMGCPDIGJJN-AWEZNQCLSA-N 1 3 316.449 2.568 20 0 DFADHO CNCc1cccc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000415934271 428631118 /nfs/dbraw/zinc/63/11/18/428631118.db2.gz RHPOKVWPNIWZCI-OAHLLOKOSA-N 1 3 318.465 2.792 20 0 DFADHO CN1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccccc1 ZINC000415965028 428638711 /nfs/dbraw/zinc/63/87/11/428638711.db2.gz XTASWUGMLMZVLH-MSOLQXFVSA-N 1 3 324.428 2.712 20 0 DFADHO COCC[C@H](COC)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353642425 428635258 /nfs/dbraw/zinc/63/52/58/428635258.db2.gz LMRBAWNAFDSOHJ-NZSAHSFTSA-N 1 3 320.477 2.538 20 0 DFADHO COCC[C@H](COC)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353642425 428635260 /nfs/dbraw/zinc/63/52/60/428635260.db2.gz LMRBAWNAFDSOHJ-NZSAHSFTSA-N 1 3 320.477 2.538 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415953485 428635661 /nfs/dbraw/zinc/63/56/61/428635661.db2.gz HDCHWKYAOBLNNR-UHFFFAOYSA-N 1 3 318.465 2.875 20 0 DFADHO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C)[C@H]3CCC[C@H]31)CCO2 ZINC000353680451 274138019 /nfs/dbraw/zinc/13/80/19/274138019.db2.gz JTEUCXXDNVCZRE-HPBDAGMYSA-N 1 3 316.445 2.981 20 0 DFADHO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)[C@H]1CCCN(C2CCC2)C1 ZINC000185716322 274260114 /nfs/dbraw/zinc/26/01/14/274260114.db2.gz HMFHDOJPXZBETO-NVRFMJDISA-N 1 3 314.473 2.887 20 0 DFADHO CC[N@@H+]1CCC[C@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000416146432 428676418 /nfs/dbraw/zinc/67/64/18/428676418.db2.gz UTVZSYBHESTXBS-SJLPKXTDSA-N 1 3 317.477 2.528 20 0 DFADHO CC[N@H+]1CCC[C@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000416146432 428676425 /nfs/dbraw/zinc/67/64/25/428676425.db2.gz UTVZSYBHESTXBS-SJLPKXTDSA-N 1 3 317.477 2.528 20 0 DFADHO CC(C)[N@H+](C)CCCNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416130396 428673532 /nfs/dbraw/zinc/67/35/32/428673532.db2.gz IRBYRBXABULZQG-KRWDZBQOSA-N 1 3 305.466 2.526 20 0 DFADHO CC(C)[N@@H+](C)CCCNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416130396 428673539 /nfs/dbraw/zinc/67/35/39/428673539.db2.gz IRBYRBXABULZQG-KRWDZBQOSA-N 1 3 305.466 2.526 20 0 DFADHO C[C@H](CCc1ccc(Cl)s1)[NH2+]CC1(O)CCN(C)CC1 ZINC000344746339 428701243 /nfs/dbraw/zinc/70/12/43/428701243.db2.gz MJYPTZOBEIZAHG-GFCCVEGCSA-N 1 3 316.898 2.769 20 0 DFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000353764411 428703480 /nfs/dbraw/zinc/70/34/80/428703480.db2.gz XYBRFDRVFUMHQM-ROUUACIJSA-N 1 3 321.509 2.632 20 0 DFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000353764411 428703482 /nfs/dbraw/zinc/70/34/82/428703482.db2.gz XYBRFDRVFUMHQM-ROUUACIJSA-N 1 3 321.509 2.632 20 0 DFADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)c(OC)co1 ZINC000348317365 428705019 /nfs/dbraw/zinc/70/50/19/428705019.db2.gz IGNALVRNRBHVHK-GDBMZVCRSA-N 1 3 322.449 2.639 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)c(OC)co1 ZINC000348317368 428705056 /nfs/dbraw/zinc/70/50/56/428705056.db2.gz IGNALVRNRBHVHK-GOEBONIOSA-N 1 3 322.449 2.639 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H](CO)c2ccccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000348335982 428710762 /nfs/dbraw/zinc/71/07/62/428710762.db2.gz RGULGMIACNAPOU-KCMWZYNZSA-N 1 3 322.880 2.878 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H](CO)c2ccccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000348335982 428710769 /nfs/dbraw/zinc/71/07/69/428710769.db2.gz RGULGMIACNAPOU-KCMWZYNZSA-N 1 3 322.880 2.878 20 0 DFADHO Cc1c[nH+]ccc1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000358916894 428729157 /nfs/dbraw/zinc/72/91/57/428729157.db2.gz UIIOBICOMZLURW-QGZVFWFLSA-N 1 3 313.470 2.841 20 0 DFADHO COc1cc(C[NH2+]CC2(CN(C)C)CCCC2)cc(OC)c1O ZINC000348261175 428681335 /nfs/dbraw/zinc/68/13/35/428681335.db2.gz LIAMVGXGUUDQSE-UHFFFAOYSA-N 1 3 322.449 2.621 20 0 DFADHO CCCCNC(=O)C1([NH2+]CC[C@H]2CCCN2C)CCCCC1 ZINC000348257338 428681646 /nfs/dbraw/zinc/68/16/46/428681646.db2.gz RNYAJELVCCEXEW-MRXNPFEDSA-N 1 3 309.498 2.680 20 0 DFADHO CC(C)N1CCC[C@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416201493 428690142 /nfs/dbraw/zinc/69/01/42/428690142.db2.gz GEPORBPTIOULJP-ROUUACIJSA-N 1 3 317.477 2.668 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416232673 428695138 /nfs/dbraw/zinc/69/51/38/428695138.db2.gz GLKOECDYALDUEP-AEFFLSMTSA-N 1 3 319.493 2.916 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416232673 428695141 /nfs/dbraw/zinc/69/51/41/428695141.db2.gz GLKOECDYALDUEP-AEFFLSMTSA-N 1 3 319.493 2.916 20 0 DFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416232390 428695175 /nfs/dbraw/zinc/69/51/75/428695175.db2.gz FOAJIJHLEJJFCX-NVXWUHKLSA-N 1 3 305.466 2.524 20 0 DFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416232390 428695177 /nfs/dbraw/zinc/69/51/77/428695177.db2.gz FOAJIJHLEJJFCX-NVXWUHKLSA-N 1 3 305.466 2.524 20 0 DFADHO CCS[C@@H]1CCC[C@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000348476029 428754001 /nfs/dbraw/zinc/75/40/01/428754001.db2.gz FVJYGYYBQIECBN-IAGOWNOFSA-N 1 3 313.555 2.666 20 0 DFADHO C[N@H+]1CC=C(CNCc2cccc(OC(F)(F)F)c2)CC1 ZINC000345134138 428766470 /nfs/dbraw/zinc/76/64/70/428766470.db2.gz BTTFHYLHTUKHIO-UHFFFAOYSA-N 1 3 300.324 2.937 20 0 DFADHO C[N@@H+]1CC=C(CNCc2cccc(OC(F)(F)F)c2)CC1 ZINC000345134138 428766476 /nfs/dbraw/zinc/76/64/76/428766476.db2.gz BTTFHYLHTUKHIO-UHFFFAOYSA-N 1 3 300.324 2.937 20 0 DFADHO CCc1cccc(F)c1C[NH2+]C[C@H](C)N1CCN(CC)CC1 ZINC000353918873 428776757 /nfs/dbraw/zinc/77/67/57/428776757.db2.gz UVASWSFAYCLEJP-HNNXBMFYSA-N 1 3 307.457 2.504 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCN2C[C@H](C)C[C@H](C)C2)[C@@H]1C ZINC000353934844 428784429 /nfs/dbraw/zinc/78/44/29/428784429.db2.gz YOZOQGHNYIHICC-WKULXVSPSA-N 1 3 324.509 2.922 20 0 DFADHO C[N@H+]1CC=C(CNCc2ccc(F)c(Br)c2)CC1 ZINC000345178709 428786982 /nfs/dbraw/zinc/78/69/82/428786982.db2.gz UXASVNZSHJKTKC-UHFFFAOYSA-N 1 3 313.214 2.940 20 0 DFADHO C[N@@H+]1CC=C(CNCc2ccc(F)c(Br)c2)CC1 ZINC000345178709 428786987 /nfs/dbraw/zinc/78/69/87/428786987.db2.gz UXASVNZSHJKTKC-UHFFFAOYSA-N 1 3 313.214 2.940 20 0 DFADHO Cc1cc(CC[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)on1 ZINC000353946703 428788318 /nfs/dbraw/zinc/78/83/18/428788318.db2.gz JBFXGQVMGWBXIY-HNNXBMFYSA-N 1 3 317.433 2.817 20 0 DFADHO Cc1nc(CO[C@H]2CC[N@@H+](CC[C@H]3CCCCN3C)C2)cs1 ZINC000374933080 428788566 /nfs/dbraw/zinc/78/85/66/428788566.db2.gz URBAJZCMBOESJF-SJORKVTESA-N 1 3 323.506 2.917 20 0 DFADHO Cc1nc(CO[C@H]2CC[N@H+](CC[C@H]3CCCCN3C)C2)cs1 ZINC000374933080 428788572 /nfs/dbraw/zinc/78/85/72/428788572.db2.gz URBAJZCMBOESJF-SJORKVTESA-N 1 3 323.506 2.917 20 0 DFADHO CC1CC[NH+](CCCNC(=O)c2ccccc2CN(C)C)CC1 ZINC000362438455 428742816 /nfs/dbraw/zinc/74/28/16/428742816.db2.gz GLEKLMZLNUGYMO-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO COC[C@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C1CC1 ZINC000375307122 428851798 /nfs/dbraw/zinc/85/17/98/428851798.db2.gz DTDZZWJPNVPVRA-IBGZPJMESA-N 1 3 318.461 2.674 20 0 DFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000362646447 428796954 /nfs/dbraw/zinc/79/69/54/428796954.db2.gz KPBHFNOFZDZPFP-ZWKOTPCHSA-N 1 3 323.525 2.591 20 0 DFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000362646447 428796956 /nfs/dbraw/zinc/79/69/56/428796956.db2.gz KPBHFNOFZDZPFP-ZWKOTPCHSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1O ZINC000411456182 428798891 /nfs/dbraw/zinc/79/88/91/428798891.db2.gz YWZMTACGGRYDPS-VQIMIIECSA-N 1 3 302.462 2.875 20 0 DFADHO Cc1cc(CC[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)on1 ZINC000353978368 428802651 /nfs/dbraw/zinc/80/26/51/428802651.db2.gz KOYUODLJUURXKB-HNNXBMFYSA-N 1 3 317.433 2.817 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2cccc(C)c2C)CC1 ZINC000411471703 428803834 /nfs/dbraw/zinc/80/38/34/428803834.db2.gz QQIBWEDQOBUXEA-MRXNPFEDSA-N 1 3 317.477 2.555 20 0 DFADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CCN(CC)CC1 ZINC000411522187 428811573 /nfs/dbraw/zinc/81/15/73/428811573.db2.gz VRWYCAOGRMZWHO-WBVHZDCISA-N 1 3 309.498 2.535 20 0 DFADHO CC(=O)N1CCC([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000359100223 428816485 /nfs/dbraw/zinc/81/64/85/428816485.db2.gz AJNLLFLNQZPNCD-HNAYVOBHSA-N 1 3 321.509 2.630 20 0 DFADHO CC[NH+](CC)CCOC1CCN(Cc2cccnc2C)CC1 ZINC000354033667 428832835 /nfs/dbraw/zinc/83/28/35/428832835.db2.gz MULDDDIRCNHNDH-UHFFFAOYSA-N 1 3 305.466 2.713 20 0 DFADHO c1ccc2c(NC[C@H]3CCC[C@H]3N3CCOCC3)cc[nH+]c2c1 ZINC000363007856 428840760 /nfs/dbraw/zinc/84/07/60/428840760.db2.gz PBJKRRAKAUMGPQ-DNVCBOLYSA-N 1 3 311.429 2.570 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2sccc2OC)C1 ZINC000354087417 428855333 /nfs/dbraw/zinc/85/53/33/428855333.db2.gz ADJGZJPGJQELKY-CQSZACIVSA-N 1 3 312.479 2.689 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccccc2OC)C1 ZINC000354106962 428865605 /nfs/dbraw/zinc/86/56/05/428865605.db2.gz NCHJQGOXDKWRRN-KRWDZBQOSA-N 1 3 306.450 2.628 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCc2nccn2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000375377634 428866895 /nfs/dbraw/zinc/86/68/95/428866895.db2.gz GLRNIQQWDHZSLZ-YTQUADARSA-N 1 3 324.472 2.698 20 0 DFADHO CCOc1ccccc1N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359219825 428872706 /nfs/dbraw/zinc/87/27/06/428872706.db2.gz VXTORKIZGICKCZ-UHFFFAOYSA-N 1 3 317.477 2.597 20 0 DFADHO CCN(C)C(=O)CCNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375472386 428894617 /nfs/dbraw/zinc/89/46/17/428894617.db2.gz SZISDJYCQPXDIB-IEBWSBKVSA-N 1 3 317.477 2.528 20 0 DFADHO CCN(C)C(=O)CCNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375472386 428894623 /nfs/dbraw/zinc/89/46/23/428894623.db2.gz SZISDJYCQPXDIB-IEBWSBKVSA-N 1 3 317.477 2.528 20 0 DFADHO CCCN1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363315395 428903807 /nfs/dbraw/zinc/90/38/07/428903807.db2.gz UYRPOQAQQYIXGS-KRWDZBQOSA-N 1 3 321.509 2.585 20 0 DFADHO CCCN1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363315395 428903812 /nfs/dbraw/zinc/90/38/12/428903812.db2.gz UYRPOQAQQYIXGS-KRWDZBQOSA-N 1 3 321.509 2.585 20 0 DFADHO CC(C)[C@@H](CNC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000354206483 428914399 /nfs/dbraw/zinc/91/43/99/428914399.db2.gz CPWGUWALBXGQNF-RBUKOAKNSA-N 1 3 304.478 2.863 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC000354212004 428916232 /nfs/dbraw/zinc/91/62/32/428916232.db2.gz ZBHBPSCQTJEIRJ-DOTOQJQBSA-N 1 3 303.450 2.820 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC000354212004 428916238 /nfs/dbraw/zinc/91/62/38/428916238.db2.gz ZBHBPSCQTJEIRJ-DOTOQJQBSA-N 1 3 303.450 2.820 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000349090360 428919656 /nfs/dbraw/zinc/91/96/56/428919656.db2.gz WEZPGGLOFLEDFD-KRWDZBQOSA-N 1 3 309.498 2.632 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000349090360 428919660 /nfs/dbraw/zinc/91/96/60/428919660.db2.gz WEZPGGLOFLEDFD-KRWDZBQOSA-N 1 3 309.498 2.632 20 0 DFADHO Cc1cc([C@@H]([NH2+]C[C@H](O)CN2CCCC2)C2CC2)ccc1F ZINC000359376088 428945519 /nfs/dbraw/zinc/94/55/19/428945519.db2.gz UCJNQIDNTGTPIT-WMZOPIPTSA-N 1 3 306.425 2.632 20 0 DFADHO COc1cc(C)c(C[C@@H](C)[NH2+][C@@H]2CCCCNC2)cc1OC ZINC000423549677 428971936 /nfs/dbraw/zinc/97/19/36/428971936.db2.gz HYRUPKFWABMTPE-GDBMZVCRSA-N 1 3 306.450 2.675 20 0 DFADHO CC(C)[C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)N1CCCCC1 ZINC000354279289 428952087 /nfs/dbraw/zinc/95/20/87/428952087.db2.gz BTJMGFFIOKPQSR-KRWDZBQOSA-N 1 3 311.514 2.732 20 0 DFADHO Nc1cc(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000420314876 428958091 /nfs/dbraw/zinc/95/80/91/428958091.db2.gz RBMWCIZJXSZDAL-RBUKOAKNSA-N 1 3 324.472 2.836 20 0 DFADHO Cc1cccc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)c1C ZINC000349317896 428960592 /nfs/dbraw/zinc/96/05/92/428960592.db2.gz QRWQKFHCPWRCQV-KRWDZBQOSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1cccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)c1C ZINC000349317896 428960596 /nfs/dbraw/zinc/96/05/96/428960596.db2.gz QRWQKFHCPWRCQV-KRWDZBQOSA-N 1 3 315.505 2.904 20 0 DFADHO COc1cc(C)c(C[C@@H](C)[NH2+]CCCNC2CC2)cc1OC ZINC000423543404 428968602 /nfs/dbraw/zinc/96/86/02/428968602.db2.gz BSYJZICXAVJPRV-CQSZACIVSA-N 1 3 306.450 2.675 20 0 DFADHO COc1cc(C)c(C[C@@H](C)NCCC[NH2+]C2CC2)cc1OC ZINC000423543404 428968610 /nfs/dbraw/zinc/96/86/10/428968610.db2.gz BSYJZICXAVJPRV-CQSZACIVSA-N 1 3 306.450 2.675 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000423788460 429020978 /nfs/dbraw/zinc/02/09/78/429020978.db2.gz SHGUNBCBKFXIDQ-NJAFHUGGSA-N 1 3 315.461 2.916 20 0 DFADHO OCC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC(c2ccccc2)C1 ZINC000433085627 428993123 /nfs/dbraw/zinc/99/31/23/428993123.db2.gz WZCGYEUPSRNUCK-NUVZVAJJSA-N 1 3 314.473 2.759 20 0 DFADHO OCC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC(c2ccccc2)C1 ZINC000433085627 428993127 /nfs/dbraw/zinc/99/31/27/428993127.db2.gz WZCGYEUPSRNUCK-NUVZVAJJSA-N 1 3 314.473 2.759 20 0 DFADHO Cc1cccc(N2CCC([NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)CC2)n1 ZINC000363791584 428994942 /nfs/dbraw/zinc/99/49/42/428994942.db2.gz TXPNALLYMJSDBD-QGPMSJSTSA-N 1 3 316.493 2.677 20 0 DFADHO c1ccc([C@H]2C[C@H]2CN2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000349561343 429004390 /nfs/dbraw/zinc/00/43/90/429004390.db2.gz IHUZYYGOZUWRDY-VQTJNVASSA-N 1 3 313.489 2.504 20 0 DFADHO CC[C@]1(C)CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000354856996 429013500 /nfs/dbraw/zinc/01/35/00/429013500.db2.gz MWXCHMZIPZRCOL-PKOBYXMFSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000423460808 429090153 /nfs/dbraw/zinc/09/01/53/429090153.db2.gz BLLBVAZGNFENCF-HUHSQHJXSA-N 1 3 306.425 2.676 20 0 DFADHO CC[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000423468127 429092042 /nfs/dbraw/zinc/09/20/42/429092042.db2.gz JKEVFJSNFIOOMC-UKBAYJJMSA-N 1 3 320.452 2.924 20 0 DFADHO Cc1ncccc1O[C@@H]1CC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000375986174 429035369 /nfs/dbraw/zinc/03/53/69/429035369.db2.gz PGOWYDUZPCSRIN-DLBZAZTESA-N 1 3 303.450 2.718 20 0 DFADHO Cc1ncccc1O[C@@H]1CC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000375986174 429035374 /nfs/dbraw/zinc/03/53/74/429035374.db2.gz PGOWYDUZPCSRIN-DLBZAZTESA-N 1 3 303.450 2.718 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000423847314 429035969 /nfs/dbraw/zinc/03/59/69/429035969.db2.gz PZQOQFPVSBJWPU-HHXXYDBFSA-N 1 3 317.477 2.531 20 0 DFADHO [NH3+][C@@H](CCC(=O)NC1CCN(C2CC2)CC1)CC1CCCCC1 ZINC000424135698 429096333 /nfs/dbraw/zinc/09/63/33/429096333.db2.gz MSRQNIHZVPRLIB-INIZCTEOSA-N 1 3 321.509 2.807 20 0 DFADHO CCC[C@](C)(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000376022091 429042980 /nfs/dbraw/zinc/04/29/80/429042980.db2.gz RFVLEVIEUQGPLR-IBGZPJMESA-N 1 3 323.525 2.878 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423283761 429055514 /nfs/dbraw/zinc/05/55/14/429055514.db2.gz WEPXVNXJMKUFKE-KBAYOESNSA-N 1 3 308.441 2.880 20 0 DFADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423274789 429056232 /nfs/dbraw/zinc/05/62/32/429056232.db2.gz MLQCFCUEIFACCC-YXJHDRRASA-N 1 3 315.461 2.982 20 0 DFADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423274787 429056647 /nfs/dbraw/zinc/05/66/47/429056647.db2.gz MLQCFCUEIFACCC-LESCRADOSA-N 1 3 315.461 2.982 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423284752 429058219 /nfs/dbraw/zinc/05/82/19/429058219.db2.gz YHNZGBVVRDQLDU-YSVLISHTSA-N 1 3 301.434 2.591 20 0 DFADHO CCC([NH3+])(CC)CN[C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000423287269 429058460 /nfs/dbraw/zinc/05/84/60/429058460.db2.gz LEQUKGZQQIEXPR-HNNXBMFYSA-N 1 3 307.482 2.795 20 0 DFADHO CCCC[C@H](C[NH3+])N[C@@H](C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423303347 429059354 /nfs/dbraw/zinc/05/93/54/429059354.db2.gz WXKWBYWODVTGGJ-UHOSZYNNSA-N 1 3 319.493 2.556 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412560115 429061891 /nfs/dbraw/zinc/06/18/91/429061891.db2.gz PDMDOLVYEKFOCR-LBPRGKRZSA-N 1 3 309.429 2.993 20 0 DFADHO N[C@H](C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)C1CC1 ZINC000423311569 429062686 /nfs/dbraw/zinc/06/26/86/429062686.db2.gz BZWNQOWQVQAVNQ-ZIAGYGMSSA-N 1 3 300.324 2.899 20 0 DFADHO C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1cccc(OCCN(C)C)c1 ZINC000423323020 429064458 /nfs/dbraw/zinc/06/44/58/429064458.db2.gz HXMPDYWSISQFGB-APWZRJJASA-N 1 3 319.493 2.667 20 0 DFADHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423324632 429066299 /nfs/dbraw/zinc/06/62/99/429066299.db2.gz KTAGOLHBHUIZFE-GFCCVEGCSA-N 1 3 302.422 2.503 20 0 DFADHO Clc1ccccc1C[C@H](NC[C@@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000423337557 429067625 /nfs/dbraw/zinc/06/76/25/429067625.db2.gz KHDCGTMPUXEIBS-XOKHGSTOSA-N 1 3 308.853 2.629 20 0 DFADHO Fc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@@H]2CCCOCC2)cc1F ZINC000423361066 429071675 /nfs/dbraw/zinc/07/16/75/429071675.db2.gz GOGHITKGNUSSOO-JKIFEVAISA-N 1 3 310.388 2.569 20 0 DFADHO C[C@@H]1CCN[C@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000423354370 429072000 /nfs/dbraw/zinc/07/20/00/429072000.db2.gz NKHRMXDRKBOIJU-QAPCUYQASA-N 1 3 315.461 2.652 20 0 DFADHO C[C@H](CNC(=O)[C@H](N)CC1CCCCC1)[NH+]1CCC(C)CC1 ZINC000423357152 429072381 /nfs/dbraw/zinc/07/23/81/429072381.db2.gz LQCHAIKUPQEXBO-NVXWUHKLSA-N 1 3 309.498 2.521 20 0 DFADHO COc1ccc([C@@H](C)[C@H](C)NCC[C@H]2CCC[NH2+]2)cc1OC ZINC000423355643 429072499 /nfs/dbraw/zinc/07/24/99/429072499.db2.gz FQDQYGWYWNJNPZ-OFQRWUPVSA-N 1 3 306.450 2.928 20 0 DFADHO CC(C)[C@H](C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)[C@H](C)[NH3+] ZINC000423357509 429072633 /nfs/dbraw/zinc/07/26/33/429072633.db2.gz IEOKXZRUSDOPHO-IDCNUPLLSA-N 1 3 317.477 2.558 20 0 DFADHO COCCOc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000423366143 429074318 /nfs/dbraw/zinc/07/43/18/429074318.db2.gz BOGFTKDMGUJFFJ-NUEKZKHPSA-N 1 3 322.449 2.641 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000423368744 429074391 /nfs/dbraw/zinc/07/43/91/429074391.db2.gz FLSDVUBLWLPPMX-ZNMIVQPWSA-N 1 3 303.450 2.699 20 0 DFADHO CC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000423403165 429080698 /nfs/dbraw/zinc/08/06/98/429080698.db2.gz YZPSOUFQIKZWTC-WCQYABFASA-N 1 3 321.412 2.625 20 0 DFADHO CC[NH+]1CCC(CCNC(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000423408040 429081713 /nfs/dbraw/zinc/08/17/13/429081713.db2.gz NYRVZLQZKMKJQL-QGZVFWFLSA-N 1 3 309.498 2.522 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC[N@@H+]1C ZINC000423424656 429085244 /nfs/dbraw/zinc/08/52/44/429085244.db2.gz NGURVHAGXQIFHM-PVAVHDDUSA-N 1 3 317.477 2.654 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC[N@H+]1C ZINC000423424656 429085246 /nfs/dbraw/zinc/08/52/46/429085246.db2.gz NGURVHAGXQIFHM-PVAVHDDUSA-N 1 3 317.477 2.654 20 0 DFADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423440805 429089004 /nfs/dbraw/zinc/08/90/04/429089004.db2.gz OVYQEMWJDDDLBR-UIAACRFSSA-N 1 3 324.472 2.970 20 0 DFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424436783 429143332 /nfs/dbraw/zinc/14/33/32/429143332.db2.gz NFAWEAHUBDWTJQ-HNNXBMFYSA-N 1 3 318.465 2.649 20 0 DFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424436783 429143338 /nfs/dbraw/zinc/14/33/38/429143338.db2.gz NFAWEAHUBDWTJQ-HNNXBMFYSA-N 1 3 318.465 2.649 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1CC1(C)C ZINC000487309649 429150648 /nfs/dbraw/zinc/15/06/48/429150648.db2.gz LEQCDIDLTBMSPM-YOEHRIQHSA-N 1 3 317.477 2.502 20 0 DFADHO FC1(F)Oc2ccc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2O1 ZINC000424139459 429098372 /nfs/dbraw/zinc/09/83/72/429098372.db2.gz VHXARTNAMDDCFL-LBPRGKRZSA-N 1 3 310.344 2.582 20 0 DFADHO COC[C@H](N[C@H]1CC[C@H](C[NH3+])C1)c1cccc(Cl)c1F ZINC000423493135 429098423 /nfs/dbraw/zinc/09/84/23/429098423.db2.gz AVWPGKNAMNDFJX-MJVIPROJSA-N 1 3 300.805 2.884 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CNCCCO1)C1(c2ccccc2)CCCC1 ZINC000423494902 429099897 /nfs/dbraw/zinc/09/98/97/429099897.db2.gz SQPTWOOPTALBOT-FUHWJXTLSA-N 1 3 302.462 2.855 20 0 DFADHO C[C@H](NC[C@H]1C[NH2+]CCCO1)C1(c2ccccc2)CCCC1 ZINC000423494902 429099901 /nfs/dbraw/zinc/09/99/01/429099901.db2.gz SQPTWOOPTALBOT-FUHWJXTLSA-N 1 3 302.462 2.855 20 0 DFADHO COc1cc2c(cc1OC)[C@H](N1C[C@@H](C)[C@](C)(C[NH3+])C1)CC2 ZINC000423503855 429102303 /nfs/dbraw/zinc/10/23/03/429102303.db2.gz FHWYZMXEUTYKPN-CDHAZOANSA-N 1 3 304.434 2.608 20 0 DFADHO C[C@@H]([C@H]1CCN(Cc2ccccc2)C1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423508255 429103948 /nfs/dbraw/zinc/10/39/48/429103948.db2.gz KNXMTTWNYULCMN-LCLWPZTBSA-N 1 3 315.505 2.814 20 0 DFADHO C[C@@H]([C@H]1CCN(Cc2ccccc2)C1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423508255 429103950 /nfs/dbraw/zinc/10/39/50/429103950.db2.gz KNXMTTWNYULCMN-LCLWPZTBSA-N 1 3 315.505 2.814 20 0 DFADHO CN1CC[NH2+]C[C@H]1CN[C@@H]1CCCc2c3ccccc3sc21 ZINC000423510607 429104373 /nfs/dbraw/zinc/10/43/73/429104373.db2.gz JWAAXBHJUCJILF-XJKSGUPXSA-N 1 3 315.486 2.772 20 0 DFADHO CCN(C(=O)CC[C@H](C)[NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000434685993 429104573 /nfs/dbraw/zinc/10/45/73/429104573.db2.gz SMRRMUQGFDIGTG-BQFCYCMXSA-N 1 3 317.477 2.798 20 0 DFADHO NC1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C2CC3CC(C2)CC1C3 ZINC000423520609 429107277 /nfs/dbraw/zinc/10/72/77/429107277.db2.gz FFHOZZKRRRZHKQ-WGRWJZCPSA-N 1 3 316.489 2.687 20 0 DFADHO [NH3+]C1(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C2CC3CC(C2)CC1C3 ZINC000423520609 429107281 /nfs/dbraw/zinc/10/72/81/429107281.db2.gz FFHOZZKRRRZHKQ-WGRWJZCPSA-N 1 3 316.489 2.687 20 0 DFADHO CC(C)(C)CCN1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424275331 429117715 /nfs/dbraw/zinc/11/77/15/429117715.db2.gz ATCDVKXYNJPIPA-QGZVFWFLSA-N 1 3 321.484 2.922 20 0 DFADHO Cc1ccc(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1F ZINC000424286705 429119496 /nfs/dbraw/zinc/11/94/96/429119496.db2.gz HXUMTEPAGSHUHX-CQSZACIVSA-N 1 3 319.424 2.537 20 0 DFADHO CC(C)N1CCC([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435124792 429125921 /nfs/dbraw/zinc/12/59/21/429125921.db2.gz AGWMZABOECOWPJ-UHFFFAOYSA-N 1 3 302.422 2.974 20 0 DFADHO CC(C)N1CCC([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435124792 429125924 /nfs/dbraw/zinc/12/59/24/429125924.db2.gz AGWMZABOECOWPJ-UHFFFAOYSA-N 1 3 302.422 2.974 20 0 DFADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1C ZINC000435130025 429126096 /nfs/dbraw/zinc/12/60/96/429126096.db2.gz PKHVJSVMOABZJL-KGLIPLIRSA-N 1 3 302.422 2.974 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1C ZINC000435130025 429126098 /nfs/dbraw/zinc/12/60/98/429126098.db2.gz PKHVJSVMOABZJL-KGLIPLIRSA-N 1 3 302.422 2.974 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(NC(=O)NC2CC2)cc1 ZINC000424376839 429131436 /nfs/dbraw/zinc/13/14/36/429131436.db2.gz PYAAIFPFNOGBQL-JCURWCKSSA-N 1 3 316.449 2.891 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000435377806 429135544 /nfs/dbraw/zinc/13/55/44/429135544.db2.gz FKJQGFINFPEXRP-CFVMTHIKSA-N 1 3 300.406 2.537 20 0 DFADHO CCN(Cc1cccc(OCCOC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435390169 429136441 /nfs/dbraw/zinc/13/64/41/429136441.db2.gz OIFPTRNWEUUKLQ-KRWDZBQOSA-N 1 3 306.450 2.676 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000424424885 429139127 /nfs/dbraw/zinc/13/91/27/429139127.db2.gz ISHHWQURGKZUCZ-UHFFFAOYSA-N 1 3 318.465 2.697 20 0 DFADHO CCN(Cc1cc(-n2ccnc2)cs1)[C@H]1CCC[NH2+]CC1 ZINC000435392498 429139778 /nfs/dbraw/zinc/13/97/78/429139778.db2.gz WTSXABFVVFEWCF-AWEZNQCLSA-N 1 3 304.463 2.898 20 0 DFADHO CC(C)[C@@H](CN[C@H]1CCC(=O)NC1(C)C)[NH+]1CCCCCC1 ZINC000494924678 429165062 /nfs/dbraw/zinc/16/50/62/429165062.db2.gz QYGMSCHCUKSUOO-CVEARBPZSA-N 1 3 309.498 2.534 20 0 DFADHO CCC(CC)[C@@H](CN[C@@H]1CCC(=O)NC1(C)C)[NH+]1CCCC1 ZINC000494923034 429165287 /nfs/dbraw/zinc/16/52/87/429165287.db2.gz MJEOAGDCLSZKIS-HZPDHXFCSA-N 1 3 309.498 2.534 20 0 DFADHO CCC(CC)[C@H](CN[C@H]1CCC(=O)NC1(C)C)[NH+]1CCCC1 ZINC000494923031 429165310 /nfs/dbraw/zinc/16/53/10/429165310.db2.gz MJEOAGDCLSZKIS-HOTGVXAUSA-N 1 3 309.498 2.534 20 0 DFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)c1 ZINC000495060139 429176336 /nfs/dbraw/zinc/17/63/36/429176336.db2.gz QCMKNQNZNVCZOR-TXPKVOOTSA-N 1 3 320.477 2.778 20 0 DFADHO CCN1CCC[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495352237 429200989 /nfs/dbraw/zinc/20/09/89/429200989.db2.gz KENCSWQVYQHBDM-AWEZNQCLSA-N 1 3 313.486 2.611 20 0 DFADHO CC[N@@H+]1CCC[C@@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495352237 429200992 /nfs/dbraw/zinc/20/09/92/429200992.db2.gz KENCSWQVYQHBDM-AWEZNQCLSA-N 1 3 313.486 2.611 20 0 DFADHO CC[N@H+]1CCC[C@@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495352237 429200998 /nfs/dbraw/zinc/20/09/98/429200998.db2.gz KENCSWQVYQHBDM-AWEZNQCLSA-N 1 3 313.486 2.611 20 0 DFADHO C[C@@H](N[C@@H](C)CC[NH+](C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000495879892 429286351 /nfs/dbraw/zinc/28/63/51/429286351.db2.gz WQBDYFZCKTZTKX-RRFJBIMHSA-N 1 3 313.486 2.704 20 0 DFADHO COc1cc(CN2CCC[C@@H](CC[NH3+])C2)cc(Cl)c1OC ZINC000442925055 429240271 /nfs/dbraw/zinc/24/02/71/429240271.db2.gz TWYISKIOIMTCMR-LBPRGKRZSA-N 1 3 312.841 2.918 20 0 DFADHO CCN(CC)CCC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495734079 429255452 /nfs/dbraw/zinc/25/54/52/429255452.db2.gz KEKZMSWDQAYTDH-CQSZACIVSA-N 1 3 313.486 2.563 20 0 DFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCc2cnccn2)C3)cc1 ZINC000365217613 429280390 /nfs/dbraw/zinc/28/03/90/429280390.db2.gz FQMCCILUUKQRAN-ACDBMABISA-N 1 3 322.456 2.804 20 0 DFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCc2cnccn2)C3)cc1 ZINC000365217613 429280395 /nfs/dbraw/zinc/28/03/95/429280395.db2.gz FQMCCILUUKQRAN-ACDBMABISA-N 1 3 322.456 2.804 20 0 DFADHO C[C@@H](Cc1coc2ccccc12)NC[C@H](O)C[NH+]1CCCCC1 ZINC000449089954 429329115 /nfs/dbraw/zinc/32/91/15/429329115.db2.gz FOWRSGGUCJJABK-RDJZCZTQSA-N 1 3 316.445 2.800 20 0 DFADHO COCC1CCC([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000449103348 429332552 /nfs/dbraw/zinc/33/25/52/429332552.db2.gz PSJIJNJVFODDIH-MRLCAUJQSA-N 1 3 312.498 2.671 20 0 DFADHO CO[C@H](CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000425425299 429293677 /nfs/dbraw/zinc/29/36/77/429293677.db2.gz YBOLOJINPACHBG-PKOBYXMFSA-N 1 3 302.462 2.865 20 0 DFADHO CO[C@H](CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000425425299 429293681 /nfs/dbraw/zinc/29/36/81/429293681.db2.gz YBOLOJINPACHBG-PKOBYXMFSA-N 1 3 302.462 2.865 20 0 DFADHO CC1(c2ccc(F)cc2)CC(NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000365405286 429313809 /nfs/dbraw/zinc/31/38/09/429313809.db2.gz SIIKVAUDLAPWAZ-JLAWEPINSA-N 1 3 320.452 2.682 20 0 DFADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000457118313 429406622 /nfs/dbraw/zinc/40/66/22/429406622.db2.gz MPNWKDUJNCCITD-FUHWJXTLSA-N 1 3 321.509 2.582 20 0 DFADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000457118313 429406627 /nfs/dbraw/zinc/40/66/27/429406627.db2.gz MPNWKDUJNCCITD-FUHWJXTLSA-N 1 3 321.509 2.582 20 0 DFADHO CC(C)C[C@@H]1C[C@@H](NCc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425894416 429349659 /nfs/dbraw/zinc/34/96/59/429349659.db2.gz GLIKTEVPGNMMGX-JKSUJKDBSA-N 1 3 321.465 2.825 20 0 DFADHO C[C@@H]1CC(CCNCc2cc(C3CC[NH2+]CC3)no2)C[C@@H](C)O1 ZINC000425895357 429349701 /nfs/dbraw/zinc/34/97/01/429349701.db2.gz IXDUIXRCUXRARS-ZIAGYGMSSA-N 1 3 321.465 2.825 20 0 DFADHO c1c(CNC[C@@H]2CC23CCSCC3)onc1C1CC[NH2+]CC1 ZINC000425895802 429350778 /nfs/dbraw/zinc/35/07/78/429350778.db2.gz LGLHABCIIPGUPZ-AWEZNQCLSA-N 1 3 321.490 2.765 20 0 DFADHO CCN(CCN[C@H]1CC[N@H+](CC)C[C@H]1C)CCC(F)(F)F ZINC000426079366 429363636 /nfs/dbraw/zinc/36/36/36/429363636.db2.gz PEWKBNCQEIEDPA-KGLIPLIRSA-N 1 3 309.420 2.581 20 0 DFADHO CCN(CCN[C@H]1CC[N@@H+](CC)C[C@H]1C)CCC(F)(F)F ZINC000426079366 429363639 /nfs/dbraw/zinc/36/36/39/429363639.db2.gz PEWKBNCQEIEDPA-KGLIPLIRSA-N 1 3 309.420 2.581 20 0 DFADHO C[C@@H]1CN(CCC[NH2+]Cc2ccnn2C2CCCC2)CCCO1 ZINC000449283197 429376136 /nfs/dbraw/zinc/37/61/36/429376136.db2.gz KHWBZDFWJMTJEH-MRXNPFEDSA-N 1 3 320.481 2.589 20 0 DFADHO C[C@H]1OCC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000426296146 429381616 /nfs/dbraw/zinc/38/16/16/429381616.db2.gz XCNQNKFNMJDUGX-IQZDNPOKSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@H]1OCC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000426296146 429381622 /nfs/dbraw/zinc/38/16/22/429381622.db2.gz XCNQNKFNMJDUGX-IQZDNPOKSA-N 1 3 300.446 2.949 20 0 DFADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](N3CCCCC3)C2)CCCCC1 ZINC000426377521 429386745 /nfs/dbraw/zinc/38/67/45/429386745.db2.gz IJAPDSDAMJMBQN-QGZVFWFLSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCN2CC=CCC2)CC1 ZINC000366251034 429441269 /nfs/dbraw/zinc/44/12/69/429441269.db2.gz UTTVZMJQRZLCJB-IEBWSBKVSA-N 1 3 305.510 2.881 20 0 DFADHO CCO[C@@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)C12CCOCC2 ZINC000366438423 429453277 /nfs/dbraw/zinc/45/32/77/429453277.db2.gz ZBMOWPIQKWTXNR-ZGUYJTEBSA-N 1 3 322.493 2.567 20 0 DFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000427483158 429453529 /nfs/dbraw/zinc/45/35/29/429453529.db2.gz BXEQHDUWTHHHGB-NVXWUHKLSA-N 1 3 309.498 2.628 20 0 DFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000427483158 429453533 /nfs/dbraw/zinc/45/35/33/429453533.db2.gz BXEQHDUWTHHHGB-NVXWUHKLSA-N 1 3 309.498 2.628 20 0 DFADHO C[C@H](Cc1cnn(C)c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449582679 429455714 /nfs/dbraw/zinc/45/57/14/429455714.db2.gz GXHXVZUUOJSAOU-FRQCXROJSA-N 1 3 318.509 2.984 20 0 DFADHO C[C@H](Cc1cnn(C)c1)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449582679 429455718 /nfs/dbraw/zinc/45/57/18/429455718.db2.gz GXHXVZUUOJSAOU-FRQCXROJSA-N 1 3 318.509 2.984 20 0 DFADHO CC1CC[NH+](Cc2ccc(NC(=O)/C=C\CN(C)C)cc2)CC1 ZINC000491868664 429423641 /nfs/dbraw/zinc/42/36/41/429423641.db2.gz LWSBVFJYZGVNGB-PLNGDYQASA-N 1 3 315.461 2.975 20 0 DFADHO CCN(Cc1ccc(C(=O)N(C)C2(C[NH3+])CCC2)cc1)C1CC1 ZINC000449688425 429480776 /nfs/dbraw/zinc/48/07/76/429480776.db2.gz VAOSFBXJZQKHEX-UHFFFAOYSA-N 1 3 315.461 2.624 20 0 DFADHO O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000449740862 429493041 /nfs/dbraw/zinc/49/30/41/429493041.db2.gz RKDZAJIEBFIQOG-RAFMOHDBSA-N 1 3 314.473 2.933 20 0 DFADHO O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000449740862 429493044 /nfs/dbraw/zinc/49/30/44/429493044.db2.gz RKDZAJIEBFIQOG-RAFMOHDBSA-N 1 3 314.473 2.933 20 0 DFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCCN1C1CCCC1 ZINC000449810443 429516413 /nfs/dbraw/zinc/51/64/13/429516413.db2.gz LXVRZHUNBBCNHQ-BPQIPLTHSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCCN1C1CCCC1 ZINC000449810443 429516419 /nfs/dbraw/zinc/51/64/19/429516419.db2.gz LXVRZHUNBBCNHQ-BPQIPLTHSA-N 1 3 319.493 2.527 20 0 DFADHO COC(=O)c1cc(CN2CCCC3(CC[NH+](C)CC3)C2)oc1C ZINC000366951984 429547957 /nfs/dbraw/zinc/54/79/57/429547957.db2.gz LDISOSGJENOCPX-UHFFFAOYSA-N 1 3 320.433 2.682 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCc2ccnn2C)CC1 ZINC000367119760 429581017 /nfs/dbraw/zinc/58/10/17/429581017.db2.gz CADSJZJWRDNKAR-QGZVFWFLSA-N 1 3 318.509 2.939 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCc2ccnn2C)CC1 ZINC000367119760 429581018 /nfs/dbraw/zinc/58/10/18/429581018.db2.gz CADSJZJWRDNKAR-QGZVFWFLSA-N 1 3 318.509 2.939 20 0 DFADHO C[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000449936621 429540708 /nfs/dbraw/zinc/54/07/08/429540708.db2.gz DSLCWMALTBQIFE-RDJZCZTQSA-N 1 3 323.525 2.876 20 0 DFADHO CN(CCN1CC[C@@H](C[N@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000450456777 429631319 /nfs/dbraw/zinc/63/13/19/429631319.db2.gz UJVNCTXCWLKVAT-FQEVSTJZSA-N 1 3 315.505 2.782 20 0 DFADHO CN(CCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000450456777 429631321 /nfs/dbraw/zinc/63/13/21/429631321.db2.gz UJVNCTXCWLKVAT-FQEVSTJZSA-N 1 3 315.505 2.782 20 0 DFADHO CC1CCN([C@H](CNC(=O)C2([NH3+])CCC2)c2cccs2)CC1 ZINC000296915332 275941836 /nfs/dbraw/zinc/94/18/36/275941836.db2.gz RQSZXFMCMDWEAT-CQSZACIVSA-N 1 3 321.490 2.519 20 0 DFADHO CCN1CC[C@H]([N@H+](C)CCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000450557933 429648761 /nfs/dbraw/zinc/64/87/61/429648761.db2.gz DHUNHPYLHMIWRR-MJGOQNOKSA-N 1 3 303.494 2.781 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)CCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000450557933 429648767 /nfs/dbraw/zinc/64/87/67/429648767.db2.gz DHUNHPYLHMIWRR-MJGOQNOKSA-N 1 3 303.494 2.781 20 0 DFADHO CC(C)[NH+]1CCC(NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000429432747 429608284 /nfs/dbraw/zinc/60/82/84/429608284.db2.gz VGHLTODIGPYZMR-RBUKOAKNSA-N 1 3 320.452 2.754 20 0 DFADHO OC[C@H](CC(F)F)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000429453797 429610291 /nfs/dbraw/zinc/61/02/91/429610291.db2.gz RWLPWJIGNWXAQO-LUKYLMHMSA-N 1 3 324.415 2.503 20 0 DFADHO OC[C@H](CC(F)F)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000429453797 429610294 /nfs/dbraw/zinc/61/02/94/429610294.db2.gz RWLPWJIGNWXAQO-LUKYLMHMSA-N 1 3 324.415 2.503 20 0 DFADHO OC[C@H](CC(F)F)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000429453797 429610297 /nfs/dbraw/zinc/61/02/97/429610297.db2.gz RWLPWJIGNWXAQO-LUKYLMHMSA-N 1 3 324.415 2.503 20 0 DFADHO C[C@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)N1CCCCCC1 ZINC000429485644 429611253 /nfs/dbraw/zinc/61/12/53/429611253.db2.gz UFVCEVHAYIYVBX-LSDHHAIUSA-N 1 3 303.450 2.587 20 0 DFADHO CCN(CCCN1CCC[C@H]([NH+](C)C)CC1)CC(F)(F)F ZINC000429536164 429614301 /nfs/dbraw/zinc/61/43/01/429614301.db2.gz JMRMLTXGZBGQGG-AWEZNQCLSA-N 1 3 309.420 2.677 20 0 DFADHO CCN(CCC[N@@H+]1CCC[C@H](N(C)C)CC1)CC(F)(F)F ZINC000429536164 429614305 /nfs/dbraw/zinc/61/43/05/429614305.db2.gz JMRMLTXGZBGQGG-AWEZNQCLSA-N 1 3 309.420 2.677 20 0 DFADHO CCN(CCC[N@H+]1CCC[C@H](N(C)C)CC1)CC(F)(F)F ZINC000429536164 429614307 /nfs/dbraw/zinc/61/43/07/429614307.db2.gz JMRMLTXGZBGQGG-AWEZNQCLSA-N 1 3 309.420 2.677 20 0 DFADHO CN(CCc1ccc(Cl)cc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000450630425 429664029 /nfs/dbraw/zinc/66/40/29/429664029.db2.gz SKEDRGBGPDYRIY-UHFFFAOYSA-N 1 3 323.912 2.840 20 0 DFADHO CN(CCc1ccc(Cl)cc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000450630425 429664034 /nfs/dbraw/zinc/66/40/34/429664034.db2.gz SKEDRGBGPDYRIY-UHFFFAOYSA-N 1 3 323.912 2.840 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000236883166 276043033 /nfs/dbraw/zinc/04/30/33/276043033.db2.gz RTAWEYJQIXRRMW-YJBOKZPZSA-N 1 3 317.477 2.805 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000236883166 276043034 /nfs/dbraw/zinc/04/30/34/276043034.db2.gz RTAWEYJQIXRRMW-YJBOKZPZSA-N 1 3 317.477 2.805 20 0 DFADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000430124616 429654757 /nfs/dbraw/zinc/65/47/57/429654757.db2.gz ASHAKJLOYSCAFJ-LJQANCHMSA-N 1 3 300.446 2.928 20 0 DFADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000430124616 429654762 /nfs/dbraw/zinc/65/47/62/429654762.db2.gz ASHAKJLOYSCAFJ-LJQANCHMSA-N 1 3 300.446 2.928 20 0 DFADHO CC1CC[NH+](CC2CCN(C[C@H]3CC4(CC4)C(=O)O3)CC2)CC1 ZINC000365420142 276196428 /nfs/dbraw/zinc/19/64/28/276196428.db2.gz DPSJSEJVYCIJHY-QGZVFWFLSA-N 1 3 320.477 2.526 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000247164735 276229445 /nfs/dbraw/zinc/22/94/45/276229445.db2.gz XZNSYDBVDMKYOI-UWVAXJGDSA-N 1 3 315.505 2.753 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000247164735 276229446 /nfs/dbraw/zinc/22/94/46/276229446.db2.gz XZNSYDBVDMKYOI-UWVAXJGDSA-N 1 3 315.505 2.753 20 0 DFADHO CCN(CC)CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000157677273 276321573 /nfs/dbraw/zinc/32/15/73/276321573.db2.gz GQUYINYUNNFHON-KRWDZBQOSA-N 1 3 323.525 2.831 20 0 DFADHO CCN(CC)CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000157677273 276321575 /nfs/dbraw/zinc/32/15/75/276321575.db2.gz GQUYINYUNNFHON-KRWDZBQOSA-N 1 3 323.525 2.831 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000111039366 276361782 /nfs/dbraw/zinc/36/17/82/276361782.db2.gz QJPJQZVDPCKGCZ-QGZVFWFLSA-N 1 3 309.498 2.633 20 0 DFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000430917429 429722870 /nfs/dbraw/zinc/72/28/70/429722870.db2.gz DDZUBNSSLLRQEM-PMPSAXMXSA-N 1 3 317.477 2.620 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H]1CCCN1CC1CCCCC1 ZINC000482892838 429727988 /nfs/dbraw/zinc/72/79/88/429727988.db2.gz YSKGOBHORPZWPJ-BHIYHBOVSA-N 1 3 307.526 2.961 20 0 DFADHO COc1cc(C)c(CN2CCC3(CC[NH2+]C3)CC2)cc1OC ZINC000430967492 429732318 /nfs/dbraw/zinc/73/23/18/429732318.db2.gz SPSWLGMTQSVFEG-UHFFFAOYSA-N 1 3 304.434 2.588 20 0 DFADHO COc1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1O ZINC000368137203 429797601 /nfs/dbraw/zinc/79/76/01/429797601.db2.gz YEKDLIFLNZIHJS-MRXNPFEDSA-N 1 3 304.434 2.565 20 0 DFADHO CCCCC[C@H]1CCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000486812012 429751488 /nfs/dbraw/zinc/75/14/88/429751488.db2.gz YCKQFMMGCGHLIZ-KRWDZBQOSA-N 1 3 321.509 2.774 20 0 DFADHO CN(C)C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000431596907 429772049 /nfs/dbraw/zinc/77/20/49/429772049.db2.gz QVRZLEKTUUSEFZ-MSOLQXFVSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)C[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000431596907 429772054 /nfs/dbraw/zinc/77/20/54/429772054.db2.gz QVRZLEKTUUSEFZ-MSOLQXFVSA-N 1 3 317.477 2.670 20 0 DFADHO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCCN1C1CCCC1 ZINC000431629665 429773809 /nfs/dbraw/zinc/77/38/09/429773809.db2.gz XTHLCAYAXOFNOW-SFHVURJKSA-N 1 3 321.509 2.776 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)CCN1C ZINC000431861771 429787869 /nfs/dbraw/zinc/78/78/69/429787869.db2.gz VZMSAXCPJFUKPU-BPQIPLTHSA-N 1 3 317.477 2.621 20 0 DFADHO COc1cccc([C@@H](C[NH2+]C2CCN(CC3CC3)CC2)OC)c1 ZINC000527920943 429820759 /nfs/dbraw/zinc/82/07/59/429820759.db2.gz OTFBNLLNBUQYCZ-LJQANCHMSA-N 1 3 318.461 2.847 20 0 DFADHO CN1CCC(CC(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)CC1 ZINC000368277476 429823205 /nfs/dbraw/zinc/82/32/05/429823205.db2.gz SJURMFFLMCFOHY-GOSISDBHSA-N 1 3 321.509 2.585 20 0 DFADHO COc1cccc([C@@H](CNC2CC[NH+](C3CC3)CC2)OC)c1 ZINC000527931915 429823285 /nfs/dbraw/zinc/82/32/85/429823285.db2.gz XCERNBROPSFGSQ-GOSISDBHSA-N 1 3 304.434 2.599 20 0 DFADHO CCO[C@@]1(C)C[C@H]1N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000527973142 429830077 /nfs/dbraw/zinc/83/00/77/429830077.db2.gz FTDFRFPHLWYHFV-OLMNPRSZSA-N 1 3 306.450 2.845 20 0 DFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2CC(O)C2)ccc1OC ZINC000528020084 429837329 /nfs/dbraw/zinc/83/73/29/429837329.db2.gz XLQBRVXQZDZITL-SYJJWHGVSA-N 1 3 320.477 2.959 20 0 DFADHO COCC[N@H+](C)CCCNCc1ccc2nc(C)sc2c1 ZINC000494331483 429867584 /nfs/dbraw/zinc/86/75/84/429867584.db2.gz PWHCKLAWEMVUMV-UHFFFAOYSA-N 1 3 307.463 2.663 20 0 DFADHO COCC[N@@H+](C)CCCNCc1ccc2nc(C)sc2c1 ZINC000494331483 429867588 /nfs/dbraw/zinc/86/75/88/429867588.db2.gz PWHCKLAWEMVUMV-UHFFFAOYSA-N 1 3 307.463 2.663 20 0 DFADHO OCC[NH+]1CCC(CNCc2csc(Cl)c2Cl)CC1 ZINC000432238306 429810346 /nfs/dbraw/zinc/81/03/46/429810346.db2.gz PFFRYEBXAQQSJS-UHFFFAOYSA-N 1 3 323.289 2.849 20 0 DFADHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@@H]1CC12CC2 ZINC000527872008 429813148 /nfs/dbraw/zinc/81/31/48/429813148.db2.gz WIZCBSAGBZOVEH-IRXDYDNUSA-N 1 3 305.510 2.715 20 0 DFADHO C[N@@H+]1CCC[C@H](N2CCN([C@H]3CCCc4ccccc43)CC2)C1 ZINC000369353291 429928938 /nfs/dbraw/zinc/92/89/38/429928938.db2.gz BXGYTPRHJFDRHS-ICSRJNTNSA-N 1 3 313.489 2.776 20 0 DFADHO C[N@H+]1CCC[C@H](N2CCN([C@H]3CCCc4ccccc43)CC2)C1 ZINC000369353291 429928941 /nfs/dbraw/zinc/92/89/41/429928941.db2.gz BXGYTPRHJFDRHS-ICSRJNTNSA-N 1 3 313.489 2.776 20 0 DFADHO C[N@H+](C[C@@H](O)CN1CC[C@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745439 429911409 /nfs/dbraw/zinc/91/14/09/429911409.db2.gz PVOUMRDQRJMGDI-QZTJIDSGSA-N 1 3 320.452 2.849 20 0 DFADHO C[N@@H+](C[C@@H](O)CN1CC[C@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745439 429911410 /nfs/dbraw/zinc/91/14/10/429911410.db2.gz PVOUMRDQRJMGDI-QZTJIDSGSA-N 1 3 320.452 2.849 20 0 DFADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cccc(N2CCOCC2)c1 ZINC000573711343 429975095 /nfs/dbraw/zinc/97/50/95/429975095.db2.gz HVRMOZSUJZJBJM-VDZJLULYSA-N 1 3 317.477 2.691 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)c1cccc(N2CCOCC2)c1 ZINC000573711343 429975100 /nfs/dbraw/zinc/97/51/00/429975100.db2.gz HVRMOZSUJZJBJM-VDZJLULYSA-N 1 3 317.477 2.691 20 0 DFADHO c1cc(N2CCC[N@@H+](CCCC3CCOCC3)CC2)ccn1 ZINC000639682828 429945024 /nfs/dbraw/zinc/94/50/24/429945024.db2.gz AMJHCXNYVCTDPE-UHFFFAOYSA-N 1 3 303.450 2.801 20 0 DFADHO c1cc(N2CCC[N@H+](CCCC3CCOCC3)CC2)ccn1 ZINC000639682828 429945029 /nfs/dbraw/zinc/94/50/29/429945029.db2.gz AMJHCXNYVCTDPE-UHFFFAOYSA-N 1 3 303.450 2.801 20 0 DFADHO c1ccc2c(c1)O[C@@H](CNC1CC[NH+](C3CC3)CC1)CS2 ZINC000573369911 429948883 /nfs/dbraw/zinc/94/88/83/429948883.db2.gz QYQQAFKXQXFDRE-HNNXBMFYSA-N 1 3 304.459 2.756 20 0 DFADHO CN1CCN(CCCC[NH2+]CCSCc2ccccc2)CC1 ZINC000559324947 430004968 /nfs/dbraw/zinc/00/49/68/430004968.db2.gz ZZEMUSRFZFMTSN-UHFFFAOYSA-N 1 3 321.534 2.537 20 0 DFADHO CN(C)Cc1cccc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)c1 ZINC000574191666 430020516 /nfs/dbraw/zinc/02/05/16/430020516.db2.gz HWLPHNZVDJMILW-LJQANCHMSA-N 1 3 316.420 2.581 20 0 DFADHO C[C@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C1CC(F)(F)C1 ZINC000529542647 430026322 /nfs/dbraw/zinc/02/63/22/430026322.db2.gz RASWFNZVZASTPG-LBPRGKRZSA-N 1 3 313.392 2.545 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000530220933 430106218 /nfs/dbraw/zinc/10/62/18/430106218.db2.gz KQQYHZKVSOUBDV-UHOSZYNNSA-N 1 3 320.452 2.847 20 0 DFADHO COCC1(NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000560556373 430055224 /nfs/dbraw/zinc/05/52/24/430055224.db2.gz DHIBDXBJIYEJMU-SJLPKXTDSA-N 1 3 324.509 2.815 20 0 DFADHO COCC1([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000560556373 430055227 /nfs/dbraw/zinc/05/52/27/430055227.db2.gz DHIBDXBJIYEJMU-SJLPKXTDSA-N 1 3 324.509 2.815 20 0 DFADHO CCc1ccccc1[C@H](N)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000560966702 430071347 /nfs/dbraw/zinc/07/13/47/430071347.db2.gz LDRBDCRSXVJYLW-AKHDSKFASA-N 1 3 301.478 2.759 20 0 DFADHO C[C@H](C[NH3+])CN[C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000560942847 430072167 /nfs/dbraw/zinc/07/21/67/430072167.db2.gz VWZOBEJHUCKCBI-GHMZBOCLSA-N 1 3 317.355 2.607 20 0 DFADHO C[C@H](CN)C[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000560942847 430072170 /nfs/dbraw/zinc/07/21/70/430072170.db2.gz VWZOBEJHUCKCBI-GHMZBOCLSA-N 1 3 317.355 2.607 20 0 DFADHO CCN(CC)[C@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccsc1 ZINC000561146917 430078271 /nfs/dbraw/zinc/07/82/71/430078271.db2.gz XLRLUTJBSYELJK-GDBMZVCRSA-N 1 3 323.506 2.589 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccsc1 ZINC000561146917 430078274 /nfs/dbraw/zinc/07/82/74/430078274.db2.gz XLRLUTJBSYELJK-GDBMZVCRSA-N 1 3 323.506 2.589 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccsc1 ZINC000561146917 430078279 /nfs/dbraw/zinc/07/82/79/430078279.db2.gz XLRLUTJBSYELJK-GDBMZVCRSA-N 1 3 323.506 2.589 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccsc1 ZINC000561146917 430078285 /nfs/dbraw/zinc/07/82/85/430078285.db2.gz XLRLUTJBSYELJK-GDBMZVCRSA-N 1 3 323.506 2.589 20 0 DFADHO Cc1cc(N(C)[C@@H]2CC[NH2+]C2)c2cc(OC(F)F)ccc2n1 ZINC000561264779 430085085 /nfs/dbraw/zinc/08/50/85/430085085.db2.gz QPMRDWOKQZXIAS-LLVKDONJSA-N 1 3 307.344 2.943 20 0 DFADHO CN1CCCN(CCC[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000246965012 277051641 /nfs/dbraw/zinc/05/16/41/277051641.db2.gz JBIBMBBEMSGSJJ-SFHVURJKSA-N 1 3 321.896 2.945 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNCC(C)(C)C2)C1 ZINC000635007708 430194584 /nfs/dbraw/zinc/19/45/84/430194584.db2.gz BEDLOSOQFPQKFR-BZUAXINKSA-N 1 3 304.482 2.814 20 0 DFADHO C[C@]1(c2ccccc2)CC[C@@H](N2CCC([NH2+]CCO)CC2)C1 ZINC000635002478 430191553 /nfs/dbraw/zinc/19/15/53/430191553.db2.gz SAONTERJWWAISE-MOPGFXCFSA-N 1 3 302.462 2.543 20 0 DFADHO Cc1noc(C2CCC([NH2+][C@@H]3CCNCC(C)(C)C3)CC2)n1 ZINC000635007794 430194074 /nfs/dbraw/zinc/19/40/74/430194074.db2.gz BJCHYBBWBZAWKU-YMAMQOFZSA-N 1 3 306.454 2.772 20 0 DFADHO C[C@@H](Cc1ccsc1)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635011291 430195155 /nfs/dbraw/zinc/19/51/55/430195155.db2.gz YUMVPGOOCKWZSM-ZDUSSCGKSA-N 1 3 302.447 2.596 20 0 DFADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc2c(c1)OCCO2 ZINC000635010465 430195320 /nfs/dbraw/zinc/19/53/20/430195320.db2.gz LWEBGFRXSKNWHO-CQSZACIVSA-N 1 3 324.424 2.954 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@H]3CC[NH2+]CC[C@@H]3C)C2)cc1 ZINC000635011650 430195342 /nfs/dbraw/zinc/19/53/42/430195342.db2.gz GCBZIFJJCQMJTK-WDSOQIARSA-N 1 3 301.478 2.547 20 0 DFADHO COc1ccc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1 ZINC000635010984 430195539 /nfs/dbraw/zinc/19/55/39/430195539.db2.gz XCWVSCMMQLPOCF-AWEZNQCLSA-N 1 3 312.417 2.673 20 0 DFADHO C[C@@H](CCc1ccco1)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010976 430195735 /nfs/dbraw/zinc/19/57/35/430195735.db2.gz XCJWNTMNTOPUNB-AWEZNQCLSA-N 1 3 300.406 2.517 20 0 DFADHO FCCC[C@@H]1CCC[C@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012861 430199008 /nfs/dbraw/zinc/19/90/08/430199008.db2.gz WIEMKXPBRRAVHB-GOEBONIOSA-N 1 3 306.429 2.822 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccccc2OC(F)(F)F)C1 ZINC000581439704 430209287 /nfs/dbraw/zinc/20/92/87/430209287.db2.gz FLDDFJDGXUSCHN-OLZOCXBDSA-N 1 3 302.340 2.987 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC000581439704 430209292 /nfs/dbraw/zinc/20/92/92/430209292.db2.gz FLDDFJDGXUSCHN-OLZOCXBDSA-N 1 3 302.340 2.987 20 0 DFADHO CCN[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000638061988 430224536 /nfs/dbraw/zinc/22/45/36/430224536.db2.gz BUKNDYVJTWSQRV-LSDHHAIUSA-N 1 3 303.450 2.998 20 0 DFADHO CCN[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000638061988 430224540 /nfs/dbraw/zinc/22/45/40/430224540.db2.gz BUKNDYVJTWSQRV-LSDHHAIUSA-N 1 3 303.450 2.998 20 0 DFADHO C[C@@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C1=CCN(C)CC1 ZINC000581603650 430224683 /nfs/dbraw/zinc/22/46/83/430224683.db2.gz LENNIKWKHPRJIG-GFCCVEGCSA-N 1 3 323.387 2.533 20 0 DFADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2c2ccccc2)c2ccccc21 ZINC000581878500 430247178 /nfs/dbraw/zinc/24/71/78/430247178.db2.gz JPSZDTAGGKVTNS-XFKSJGNHSA-N 1 3 321.424 2.741 20 0 DFADHO CC1CC[NH+](CCCCNC(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635347361 430256938 /nfs/dbraw/zinc/25/69/38/430256938.db2.gz YQNMYVKVAIZYII-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO c1ccc2c(c1)[nH+]ccc2N1CCC[C@H](N2CCOCC2)CC1 ZINC000567179511 430279691 /nfs/dbraw/zinc/27/96/91/430279691.db2.gz ILFHPHNPHYFQPW-INIZCTEOSA-N 1 3 311.429 2.926 20 0 DFADHO c1ccc2c(c1)nccc2N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000567179511 430279695 /nfs/dbraw/zinc/27/96/95/430279695.db2.gz ILFHPHNPHYFQPW-INIZCTEOSA-N 1 3 311.429 2.926 20 0 DFADHO CC(C)CC[C@H](N)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000638068691 430225935 /nfs/dbraw/zinc/22/59/35/430225935.db2.gz WTXDLLKQQVDAHA-ULQDDVLXSA-N 1 3 311.514 2.624 20 0 DFADHO CC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000638076744 430228445 /nfs/dbraw/zinc/22/84/45/430228445.db2.gz MYQYVUZGZSKKND-WMZOPIPTSA-N 1 3 317.477 2.574 20 0 DFADHO CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000638083894 430230207 /nfs/dbraw/zinc/23/02/07/430230207.db2.gz OWMQUSLYEAEOGA-JQHSSLGASA-N 1 3 317.477 2.702 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC000635253101 430240205 /nfs/dbraw/zinc/24/02/05/430240205.db2.gz FUCVZSZNWTYVLI-MRXNPFEDSA-N 1 3 303.450 2.809 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000635253101 430240210 /nfs/dbraw/zinc/24/02/10/430240210.db2.gz FUCVZSZNWTYVLI-MRXNPFEDSA-N 1 3 303.450 2.809 20 0 DFADHO CC(C)OC[C@H](O)CNCc1ccccc1C[NH+]1CCCCC1 ZINC000566109430 430240438 /nfs/dbraw/zinc/24/04/38/430240438.db2.gz QFUQEDILDZJRQI-LJQANCHMSA-N 1 3 320.477 2.548 20 0 DFADHO C[C@@H](C[C@H]1CCCC(=O)N1)NCCC[N@H+](C)C1CCCCC1 ZINC000638299935 430297590 /nfs/dbraw/zinc/29/75/90/430297590.db2.gz FOPZCCVVSPPGJR-JKSUJKDBSA-N 1 3 309.498 2.678 20 0 DFADHO C[C@@H](C[C@H]1CCCC(=O)N1)NCCC[N@@H+](C)C1CCCCC1 ZINC000638299935 430297592 /nfs/dbraw/zinc/29/75/92/430297592.db2.gz FOPZCCVVSPPGJR-JKSUJKDBSA-N 1 3 309.498 2.678 20 0 DFADHO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCN(C)C1CCCCC1 ZINC000638299935 430297594 /nfs/dbraw/zinc/29/75/94/430297594.db2.gz FOPZCCVVSPPGJR-JKSUJKDBSA-N 1 3 309.498 2.678 20 0 DFADHO CC[NH+](CC)Cc1ccc(CNC[C@@H](OC)[C@@H]2CCOC2)cc1 ZINC000638306280 430298418 /nfs/dbraw/zinc/29/84/18/430298418.db2.gz BLTTZLXRMLWKPO-RTBURBONSA-N 1 3 320.477 2.670 20 0 DFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCCCN2)C1 ZINC000567985719 430302369 /nfs/dbraw/zinc/30/23/69/430302369.db2.gz NZAGQLHWUKOTGC-HOTGVXAUSA-N 1 3 309.498 2.535 20 0 DFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCCCN2)C1 ZINC000567985719 430302372 /nfs/dbraw/zinc/30/23/72/430302372.db2.gz NZAGQLHWUKOTGC-HOTGVXAUSA-N 1 3 309.498 2.535 20 0 DFADHO CN1CCN(Cc2ccc3c(c2)C[NH2+]CC3)Cc2ccccc21 ZINC000568050958 430308329 /nfs/dbraw/zinc/30/83/29/430308329.db2.gz OYBYDBBTLCDOJF-UHFFFAOYSA-N 1 3 307.441 2.784 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000568107503 430318111 /nfs/dbraw/zinc/31/81/11/430318111.db2.gz OXSJNEKHJYCUQE-OTWHNJEPSA-N 1 3 301.478 2.991 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000568107505 430319470 /nfs/dbraw/zinc/31/94/70/430319470.db2.gz OXSJNEKHJYCUQE-QYZOEREBSA-N 1 3 301.478 2.991 20 0 DFADHO CC[C@@H](COCC(F)(F)F)NC1CC[NH+](CC2CC2)CC1 ZINC000582766016 430332269 /nfs/dbraw/zinc/33/22/69/430332269.db2.gz SQHFNOJXHXXEII-ZDUSSCGKSA-N 1 3 308.388 2.808 20 0 DFADHO Cc1cccc(OC[C@@H](C)NC2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638407167 430332700 /nfs/dbraw/zinc/33/27/00/430332700.db2.gz NVVBDPROSYUEEX-MRXNPFEDSA-N 1 3 320.477 2.587 20 0 DFADHO COCCOCCN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638417389 430335978 /nfs/dbraw/zinc/33/59/78/430335978.db2.gz FTMOBQCYSQBZFU-IEBWSBKVSA-N 1 3 318.461 2.607 20 0 DFADHO COCCOCCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638417389 430335981 /nfs/dbraw/zinc/33/59/81/430335981.db2.gz FTMOBQCYSQBZFU-IEBWSBKVSA-N 1 3 318.461 2.607 20 0 DFADHO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(CNC2CCCC2)nn1 ZINC000641168383 430351315 /nfs/dbraw/zinc/35/13/15/430351315.db2.gz DDXSJFRCIRXVKJ-KRWDZBQOSA-N 1 3 305.470 2.573 20 0 DFADHO CC(C)[N@H+]1CCCC[C@H]1Cn1cc(CNC2CCCC2)nn1 ZINC000641168383 430351320 /nfs/dbraw/zinc/35/13/20/430351320.db2.gz DDXSJFRCIRXVKJ-KRWDZBQOSA-N 1 3 305.470 2.573 20 0 DFADHO CO[C@](C)(CNCc1ccccc1OCC[NH+](C)C)C1CC1 ZINC000638444946 430344803 /nfs/dbraw/zinc/34/48/03/430344803.db2.gz KUMSNSBFQAQOSE-GOSISDBHSA-N 1 3 306.450 2.532 20 0 DFADHO C[NH+](C)CCCCNCc1nnn(-c2ccccc2)c1C1CC1 ZINC000638450518 430346498 /nfs/dbraw/zinc/34/64/98/430346498.db2.gz FKCDIFXPJPHRIG-UHFFFAOYSA-N 1 3 313.449 2.576 20 0 DFADHO CO[C@H](CNC1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000638721790 430416188 /nfs/dbraw/zinc/41/61/88/430416188.db2.gz RXRSKKBTTXIGQC-LJQANCHMSA-N 1 3 324.509 2.815 20 0 DFADHO CO[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000638721790 430416195 /nfs/dbraw/zinc/41/61/95/430416195.db2.gz RXRSKKBTTXIGQC-LJQANCHMSA-N 1 3 324.509 2.815 20 0 DFADHO CCOc1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1F ZINC000638523098 430365896 /nfs/dbraw/zinc/36/58/96/430365896.db2.gz BVONHQLNZMDJHS-UHFFFAOYSA-N 1 3 324.440 2.549 20 0 DFADHO CC[C@](C)(C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)OC ZINC000638521996 430366245 /nfs/dbraw/zinc/36/62/45/430366245.db2.gz TXZRSUVRBHRUSQ-RTBURBONSA-N 1 3 304.478 2.956 20 0 DFADHO CC[C@@](C)(C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)OC ZINC000638521993 430367401 /nfs/dbraw/zinc/36/74/01/430367401.db2.gz TXZRSUVRBHRUSQ-MOPGFXCFSA-N 1 3 304.478 2.956 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)CS1 ZINC000638539285 430372351 /nfs/dbraw/zinc/37/23/51/430372351.db2.gz MLLQYGJJNPPRDR-GDBMZVCRSA-N 1 3 308.491 2.653 20 0 DFADHO CC[C@](C)(C[NH2+]Cc1ccccc1CN1CCC(O)CC1)OC ZINC000638720020 430417482 /nfs/dbraw/zinc/41/74/82/430417482.db2.gz PXXCLWVPXIHGLK-LJQANCHMSA-N 1 3 320.477 2.548 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000568768006 430392014 /nfs/dbraw/zinc/39/20/14/430392014.db2.gz CXKWVYNWUGMMBG-UONOGXRCSA-N 1 3 320.824 2.792 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000568768007 430392223 /nfs/dbraw/zinc/39/22/23/430392223.db2.gz CXKWVYNWUGMMBG-ZIAGYGMSSA-N 1 3 320.824 2.792 20 0 DFADHO C[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)C1=CCN(C)CC1 ZINC000583436529 430395666 /nfs/dbraw/zinc/39/56/66/430395666.db2.gz LSHZVIDROVKLDF-CYBMUJFWSA-N 1 3 321.852 2.909 20 0 DFADHO C[N@H+](CCC(=O)NC[C@H]1CCCCN1C1CC1)C1CCCCC1 ZINC000548065380 430444677 /nfs/dbraw/zinc/44/46/77/430444677.db2.gz HTDXLSHRILLFNX-GOSISDBHSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@@H+](CCC(=O)NC[C@H]1CCCCN1C1CC1)C1CCCCC1 ZINC000548065380 430444680 /nfs/dbraw/zinc/44/46/80/430444680.db2.gz HTDXLSHRILLFNX-GOSISDBHSA-N 1 3 321.509 2.774 20 0 DFADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1CCCCN1C(C)C ZINC000569360885 430448467 /nfs/dbraw/zinc/44/84/67/430448467.db2.gz YROWNSLJVVMWJN-ROUUACIJSA-N 1 3 317.477 2.628 20 0 DFADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000584047278 430453002 /nfs/dbraw/zinc/45/30/02/430453002.db2.gz FKEZEKGTJNUVLK-QZTJIDSGSA-N 1 3 300.402 2.966 20 0 DFADHO CC(C)([NH3+])CC(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852040 430455316 /nfs/dbraw/zinc/45/53/16/430455316.db2.gz UQFMFBAASNVAHL-QGZVFWFLSA-N 1 3 317.477 2.675 20 0 DFADHO CC[C@@H](CSc1ccccc1)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000569476258 430457790 /nfs/dbraw/zinc/45/77/90/430457790.db2.gz UBCJXIGNCODEMX-GOEBONIOSA-N 1 3 308.491 2.602 20 0 DFADHO CC[C@@H](CSc1ccccc1)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000569476258 430457795 /nfs/dbraw/zinc/45/77/95/430457795.db2.gz UBCJXIGNCODEMX-GOEBONIOSA-N 1 3 308.491 2.602 20 0 DFADHO CC(C)C1(C[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CC1 ZINC000638873247 430463989 /nfs/dbraw/zinc/46/39/89/430463989.db2.gz ONAFCACUOSHHSK-UHFFFAOYSA-N 1 3 317.477 2.504 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000569566624 430466025 /nfs/dbraw/zinc/46/60/25/430466025.db2.gz FBKRPDHCJQTGPR-QZTJIDSGSA-N 1 3 315.461 2.559 20 0 DFADHO CN(C)CCOc1cc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)ccn1 ZINC000638903813 430470669 /nfs/dbraw/zinc/47/06/69/430470669.db2.gz UVELQVDKOQPPFD-HYVNUMGLSA-N 1 3 303.450 2.548 20 0 DFADHO c1cc(CN(CCc2cn[nH]c2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000641797413 430476375 /nfs/dbraw/zinc/47/63/75/430476375.db2.gz CAQWTHDHTMAROB-INIZCTEOSA-N 1 3 316.474 2.658 20 0 DFADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000641803956 430477816 /nfs/dbraw/zinc/47/78/16/430477816.db2.gz WJFORBKOVBGRRO-OLZOCXBDSA-N 1 3 302.340 2.800 20 0 DFADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000641803954 430478861 /nfs/dbraw/zinc/47/88/61/430478861.db2.gz WJFORBKOVBGRRO-CHWSQXEVSA-N 1 3 302.340 2.800 20 0 DFADHO CC(C)N1CCC(O)(C[NH2+]CC(C)(C)Oc2ccccc2)CC1 ZINC000638736988 430420799 /nfs/dbraw/zinc/42/07/99/430420799.db2.gz BSJYUOSBHHUYIE-UHFFFAOYSA-N 1 3 320.477 2.669 20 0 DFADHO CCC[C@@H](CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)OC ZINC000638970288 430483794 /nfs/dbraw/zinc/48/37/94/430483794.db2.gz KVOYMNHWOVITRK-MOPGFXCFSA-N 1 3 320.477 2.548 20 0 DFADHO CCC[C@@H](CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO)OC ZINC000638970288 430483797 /nfs/dbraw/zinc/48/37/97/430483797.db2.gz KVOYMNHWOVITRK-MOPGFXCFSA-N 1 3 320.477 2.548 20 0 DFADHO C[C@H]([NH2+][C@@H](C)C(C)(C)n1cncn1)[C@@H]1CCCN(C2CCC2)C1 ZINC000638969774 430483918 /nfs/dbraw/zinc/48/39/18/430483918.db2.gz IOQLTGDTESUQMR-HRCADAONSA-N 1 3 319.497 2.644 20 0 DFADHO C[C@H]([NH2+]Cc1c[nH]c2ncncc12)[C@H]1CCCN(C2CCC2)C1 ZINC000638970670 430484109 /nfs/dbraw/zinc/48/41/09/430484109.db2.gz MVRSTXKNVQPFLV-KBPBESRZSA-N 1 3 313.449 2.652 20 0 DFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH3+])c2ccccc21)N(CC)CC ZINC000639068620 430510383 /nfs/dbraw/zinc/51/03/83/430510383.db2.gz YDZCXQATDLJTSZ-HOCLYGCPSA-N 1 3 303.450 2.586 20 0 DFADHO CC(C)(C[NH2+]C[C@H](O)Cc1cccc(Cl)c1)CN1CCCC1 ZINC000570325013 430533601 /nfs/dbraw/zinc/53/36/01/430533601.db2.gz FVAXTZDZOQUZTR-QGZVFWFLSA-N 1 3 324.896 2.955 20 0 DFADHO C[C@H](C[C@@H]1CCCC(=O)N1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000639133002 430537925 /nfs/dbraw/zinc/53/79/25/430537925.db2.gz FZXYALXXNRKXGI-RYRKJORJSA-N 1 3 321.509 2.820 20 0 DFADHO C[C@H](C[C@@H]1CCCC(=O)N1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000639133002 430537929 /nfs/dbraw/zinc/53/79/29/430537929.db2.gz FZXYALXXNRKXGI-RYRKJORJSA-N 1 3 321.509 2.820 20 0 DFADHO C[C@H]1C[C@@H](c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)CCN1C ZINC000643108174 430550242 /nfs/dbraw/zinc/55/02/42/430550242.db2.gz MFCDDIQUZJQSRS-UUQIVFDPSA-N 1 3 304.438 2.608 20 0 DFADHO C[C@H]1C[C@@H](c2nc(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)no2)CCN1C ZINC000643108174 430550244 /nfs/dbraw/zinc/55/02/44/430550244.db2.gz MFCDDIQUZJQSRS-UUQIVFDPSA-N 1 3 304.438 2.608 20 0 DFADHO C[C@@H](CN(C)C)[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639168829 430551608 /nfs/dbraw/zinc/55/16/08/430551608.db2.gz VLJJYXQOZDTTSI-WDYCEAGBSA-N 1 3 301.478 2.894 20 0 DFADHO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)[C@H]1CC1(F)F ZINC000639185147 430561633 /nfs/dbraw/zinc/56/16/33/430561633.db2.gz HGQIBVFLONKPQS-TZMCWYRMSA-N 1 3 313.392 2.545 20 0 DFADHO c1ccc([C@H](CN2CCCCC2)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000643451860 430601203 /nfs/dbraw/zinc/60/12/03/430601203.db2.gz MKNGJDCRZMBSKM-OALUTQOASA-N 1 3 301.478 2.945 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+]C3CC4(C3)CCCCC4)C2)CC1 ZINC000643289067 430575228 /nfs/dbraw/zinc/57/52/28/430575228.db2.gz UHAYHQONBARYHC-INIZCTEOSA-N 1 3 305.510 2.857 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455370 430601855 /nfs/dbraw/zinc/60/18/55/430601855.db2.gz AJGCDVSPDWZHBZ-SCRDCRAPSA-N 1 3 315.383 3.000 20 0 DFADHO CC(C)[N@@H+]1CC[C@@H](CNCc2ccccc2-c2ccnn2C)C1 ZINC000552244101 430592842 /nfs/dbraw/zinc/59/28/42/430592842.db2.gz VFKMEXGVRZCZNG-INIZCTEOSA-N 1 3 312.461 2.907 20 0 DFADHO CC(C)[N@H+]1CC[C@@H](CNCc2ccccc2-c2ccnn2C)C1 ZINC000552244101 430592847 /nfs/dbraw/zinc/59/28/47/430592847.db2.gz VFKMEXGVRZCZNG-INIZCTEOSA-N 1 3 312.461 2.907 20 0 DFADHO CC(C)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000552244101 430592851 /nfs/dbraw/zinc/59/28/51/430592851.db2.gz VFKMEXGVRZCZNG-INIZCTEOSA-N 1 3 312.461 2.907 20 0 DFADHO CC[C@H](N)C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000571043170 430599040 /nfs/dbraw/zinc/59/90/40/430599040.db2.gz BOGJPXNQIMTYES-OIISXLGYSA-N 1 3 305.466 2.605 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453264 430602848 /nfs/dbraw/zinc/60/28/48/430602848.db2.gz VAGZKVXZVSEBKO-SUNYJGFJSA-N 1 3 323.431 2.898 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000643459658 430604088 /nfs/dbraw/zinc/60/40/88/430604088.db2.gz LOAYRXGBDBNZHY-MSOLQXFVSA-N 1 3 312.461 2.724 20 0 DFADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1nccn1Cc1ccccc1 ZINC000643459658 430604092 /nfs/dbraw/zinc/60/40/92/430604092.db2.gz LOAYRXGBDBNZHY-MSOLQXFVSA-N 1 3 312.461 2.724 20 0 DFADHO C[C@H](N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000643458443 430604143 /nfs/dbraw/zinc/60/41/43/430604143.db2.gz PQXJJGPHDVFQAZ-YTQUADARSA-N 1 3 301.478 2.801 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccnn1C ZINC000643484289 430606948 /nfs/dbraw/zinc/60/69/48/430606948.db2.gz PXPKCWYBOBWOFK-LTIDMASMSA-N 1 3 304.482 2.670 20 0 DFADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000643512058 430611769 /nfs/dbraw/zinc/61/17/69/430611769.db2.gz FMWLZKWXZNDSJT-RCBQFDQVSA-N 1 3 301.434 2.739 20 0 DFADHO C[C@H](N)C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000643528371 430613533 /nfs/dbraw/zinc/61/35/33/430613533.db2.gz IHMXCJKTEUSERX-GJZGRUSLSA-N 1 3 324.428 2.911 20 0 DFADHO C[C@H](CCCCO)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000643541212 430613874 /nfs/dbraw/zinc/61/38/74/430613874.db2.gz SJXPYPURSXFORL-UWWQBHOKSA-N 1 3 308.441 2.660 20 0 DFADHO FCCOCCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639337245 430614301 /nfs/dbraw/zinc/61/43/01/430614301.db2.gz LEXAEKHMVYPALE-FUHWJXTLSA-N 1 3 306.425 2.930 20 0 DFADHO FCCOCCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639337245 430614305 /nfs/dbraw/zinc/61/43/05/430614305.db2.gz LEXAEKHMVYPALE-FUHWJXTLSA-N 1 3 306.425 2.930 20 0 DFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNCC2(O)CCC2)C1 ZINC000571277361 430617347 /nfs/dbraw/zinc/61/73/47/430617347.db2.gz SQJFYWFTENREGA-MRXNPFEDSA-N 1 3 302.462 2.923 20 0 DFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCC2(O)CCC2)C1 ZINC000571277361 430617349 /nfs/dbraw/zinc/61/73/49/430617349.db2.gz SQJFYWFTENREGA-MRXNPFEDSA-N 1 3 302.462 2.923 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639359629 430620149 /nfs/dbraw/zinc/62/01/49/430620149.db2.gz OLSHRRJRQOJZBL-NEWSRXKRSA-N 1 3 302.462 2.913 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000643910777 430641824 /nfs/dbraw/zinc/64/18/24/430641824.db2.gz AHZMTGDJCSGZDK-RDGPPVDQSA-N 1 3 300.446 2.666 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000643910777 430641825 /nfs/dbraw/zinc/64/18/25/430641825.db2.gz AHZMTGDJCSGZDK-RDGPPVDQSA-N 1 3 300.446 2.666 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000643910777 430641827 /nfs/dbraw/zinc/64/18/27/430641827.db2.gz AHZMTGDJCSGZDK-RDGPPVDQSA-N 1 3 300.446 2.666 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCc1cnccn1 ZINC000639580367 430675564 /nfs/dbraw/zinc/67/55/64/430675564.db2.gz MLZCHRJKXXXEHU-YRWFTTLQSA-N 1 3 324.472 2.765 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCc1cnccn1 ZINC000639580367 430675567 /nfs/dbraw/zinc/67/55/67/430675567.db2.gz MLZCHRJKXXXEHU-YRWFTTLQSA-N 1 3 324.472 2.765 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccncc2C)CC1 ZINC000556142729 430679215 /nfs/dbraw/zinc/67/92/15/430679215.db2.gz NRGJVXKWRUGJAO-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccncc2C)CC1 ZINC000556142729 430679218 /nfs/dbraw/zinc/67/92/18/430679218.db2.gz NRGJVXKWRUGJAO-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO C[C@@H]1CC[N@H+](CC[C@@H]2CCCN2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000572479856 430688502 /nfs/dbraw/zinc/68/85/02/430688502.db2.gz NDYZNWMMPWVPRB-PMPSAXMXSA-N 1 3 310.482 2.770 20 0 DFADHO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCN2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000572479856 430688504 /nfs/dbraw/zinc/68/85/04/430688504.db2.gz NDYZNWMMPWVPRB-PMPSAXMXSA-N 1 3 310.482 2.770 20 0 DFADHO Fc1ccc(N2CC[C@H](NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000556881858 430695129 /nfs/dbraw/zinc/69/51/29/430695129.db2.gz MDAIKWYXSYCPOQ-SFHVURJKSA-N 1 3 317.452 2.868 20 0 DFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(N)CCC1 ZINC000296042310 278333553 /nfs/dbraw/zinc/33/35/53/278333553.db2.gz OCVUFFKIIFKECT-HNNXBMFYSA-N 1 3 315.461 2.559 20 0 DFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(N)CCC1 ZINC000296042310 278333554 /nfs/dbraw/zinc/33/35/54/278333554.db2.gz OCVUFFKIIFKECT-HNNXBMFYSA-N 1 3 315.461 2.559 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]C[C@H]2CCOC2(C)C)cc1 ZINC000657784886 430734056 /nfs/dbraw/zinc/73/40/56/430734056.db2.gz HCIJOQSSVUSWJE-MRXNPFEDSA-N 1 3 306.450 2.532 20 0 DFADHO COc1ccc(CNCC2CC[NH+](CC3CC3)CC2)c(OC)c1 ZINC000657812123 430741799 /nfs/dbraw/zinc/74/17/99/430741799.db2.gz MCRHOUPROJAOTR-UHFFFAOYSA-N 1 3 318.461 2.915 20 0 DFADHO CC(C)(C)c1n[nH]cc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657812989 430744286 /nfs/dbraw/zinc/74/42/86/430744286.db2.gz YLFMPVDAVHBSKG-UHFFFAOYSA-N 1 3 304.482 2.919 20 0 DFADHO COCC[N@H+](C)CCCN[C@@H](C)c1cc2ccncc2s1 ZINC000657833325 430748538 /nfs/dbraw/zinc/74/85/38/430748538.db2.gz JCZOQRLGTOWMKF-ZDUSSCGKSA-N 1 3 307.463 2.915 20 0 DFADHO COCC[N@@H+](C)CCCN[C@@H](C)c1cc2ccncc2s1 ZINC000657833325 430748543 /nfs/dbraw/zinc/74/85/43/430748543.db2.gz JCZOQRLGTOWMKF-ZDUSSCGKSA-N 1 3 307.463 2.915 20 0 DFADHO COC[C@@H](CC1CCOCC1)NC1CC[NH+](CC(C)C)CC1 ZINC000657831940 430748786 /nfs/dbraw/zinc/74/87/86/430748786.db2.gz GTQRYWUQQFOGDU-GOSISDBHSA-N 1 3 312.498 2.528 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657835048 430750059 /nfs/dbraw/zinc/75/00/59/430750059.db2.gz KCOBMVABHUWMAE-FGTMMUONSA-N 1 3 307.526 2.818 20 0 DFADHO CCCC[NH+]1CCC(N[C@H](COC)CC2CCOCC2)CC1 ZINC000657860195 430755486 /nfs/dbraw/zinc/75/54/86/430755486.db2.gz XQBVNRGIPBOULW-SFHVURJKSA-N 1 3 312.498 2.672 20 0 DFADHO COC1([C@H](C)NCc2ccccc2OCC[NH+](C)C)CCC1 ZINC000657860676 430755585 /nfs/dbraw/zinc/75/55/85/430755585.db2.gz BZXYLNVKYRVAHF-HNNXBMFYSA-N 1 3 306.450 2.674 20 0 DFADHO c1ccc(CC[N@@H+]2CC[C@H](CN[C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000657867800 430756714 /nfs/dbraw/zinc/75/67/14/430756714.db2.gz PKFMLLPORLIZOC-MOPGFXCFSA-N 1 3 314.473 2.852 20 0 DFADHO c1ccc(CC[N@H+]2CC[C@H](CN[C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000657867800 430756721 /nfs/dbraw/zinc/75/67/21/430756721.db2.gz PKFMLLPORLIZOC-MOPGFXCFSA-N 1 3 314.473 2.852 20 0 DFADHO CC[C@@H](C[NH+]1CCCC1)NCCC(=O)Nc1cccc(F)c1C ZINC000644569336 430757531 /nfs/dbraw/zinc/75/75/31/430757531.db2.gz IYCWRDQGLWUUOO-HNNXBMFYSA-N 1 3 321.440 2.927 20 0 DFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cc2cnccc2o1 ZINC000657882127 430760111 /nfs/dbraw/zinc/76/01/11/430760111.db2.gz XUJQKOANILJVSH-ZBFHGGJFSA-N 1 3 317.433 2.715 20 0 DFADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cc2cnccc2o1 ZINC000657882127 430760114 /nfs/dbraw/zinc/76/01/14/430760114.db2.gz XUJQKOANILJVSH-ZBFHGGJFSA-N 1 3 317.433 2.715 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H](C)c1cc2cnccc2o1 ZINC000657972757 430778854 /nfs/dbraw/zinc/77/88/54/430778854.db2.gz JNFSDOIYIKLREQ-AWEZNQCLSA-N 1 3 305.422 2.837 20 0 DFADHO COc1ccsc1[C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000658105715 430813456 /nfs/dbraw/zinc/81/34/56/430813456.db2.gz CUNTXXXHEUDJOH-KBPBESRZSA-N 1 3 313.511 2.679 20 0 DFADHO C[C@H](CCC1CC1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658135956 430820704 /nfs/dbraw/zinc/82/07/04/430820704.db2.gz FXTBNZGOGBGGMH-BEFAXECRSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C1CCCC1 ZINC000658139889 430823625 /nfs/dbraw/zinc/82/36/25/430823625.db2.gz NOCGHPKSMMSGQE-HNAYVOBHSA-N 1 3 302.462 2.922 20 0 DFADHO CC1CCN(CCC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000314774013 278540540 /nfs/dbraw/zinc/54/05/40/278540540.db2.gz KBDGGSNTPAOJGF-KBPBESRZSA-N 1 3 308.388 2.808 20 0 DFADHO COC1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000658166187 430832613 /nfs/dbraw/zinc/83/26/13/430832613.db2.gz MYAKCLDMQXVIQR-UHFFFAOYSA-N 1 3 317.477 2.841 20 0 DFADHO CN1C[C@@H](C[NH2+][C@@H]2CCCn3nccc32)[C@H](c2ccccc2)C1 ZINC000658041809 430792135 /nfs/dbraw/zinc/79/21/35/430792135.db2.gz IRVMXVZZMCLNMB-FGTMMUONSA-N 1 3 310.445 2.653 20 0 DFADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[C@H]1CCOC1 ZINC000658074553 430800725 /nfs/dbraw/zinc/80/07/25/430800725.db2.gz UDCPYECLWKNKGN-UKBAYJJMSA-N 1 3 324.509 2.671 20 0 DFADHO CO[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)[C@H]1CCOC1 ZINC000658074553 430800733 /nfs/dbraw/zinc/80/07/33/430800733.db2.gz UDCPYECLWKNKGN-UKBAYJJMSA-N 1 3 324.509 2.671 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648496095 430806954 /nfs/dbraw/zinc/80/69/54/430806954.db2.gz MABPBCUMRSYWRX-HXUWFJFHSA-N 1 3 315.505 2.551 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3C[C@H](O)C34CCC4)CC2)C1 ZINC000658257519 430854283 /nfs/dbraw/zinc/85/42/83/430854283.db2.gz YSXMZWPSGMBOCX-UBDQQSCGSA-N 1 3 306.494 2.923 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3C[C@H](O)C34CCC4)CC2)C1 ZINC000658257519 430854289 /nfs/dbraw/zinc/85/42/89/430854289.db2.gz YSXMZWPSGMBOCX-UBDQQSCGSA-N 1 3 306.494 2.923 20 0 DFADHO COC[C@H](CC(C)(C)C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000651720916 430857779 /nfs/dbraw/zinc/85/77/79/430857779.db2.gz OBWMMUNTFRUXQE-BBWFWOEESA-N 1 3 314.514 2.917 20 0 DFADHO C[C@H](NCC1([NH3+])CCCC1)c1cccc(OCCN(C)C)c1 ZINC000665249345 430869262 /nfs/dbraw/zinc/86/92/62/430869262.db2.gz OHCULMROTNPZEX-HNNXBMFYSA-N 1 3 305.466 2.549 20 0 DFADHO CO[C@H]1CCC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000665253833 430870885 /nfs/dbraw/zinc/87/08/85/430870885.db2.gz ANVGTNVSJSKLGW-WNRNVDISSA-N 1 3 306.425 2.818 20 0 DFADHO COCCC[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259930 430872004 /nfs/dbraw/zinc/87/20/04/430872004.db2.gz VMSAHPDBCPJBBF-YSVLISHTSA-N 1 3 324.440 2.685 20 0 DFADHO C[C@H]1C[N@H+](CCCNCc2cccc3c2CCC3)CCCO1 ZINC000651786400 430874727 /nfs/dbraw/zinc/87/47/27/430874727.db2.gz WAIKSOGPEJQZGE-INIZCTEOSA-N 1 3 302.462 2.766 20 0 DFADHO C[C@H]1C[N@@H+](CCCNCc2cccc3c2CCC3)CCCO1 ZINC000651786400 430874731 /nfs/dbraw/zinc/87/47/31/430874731.db2.gz WAIKSOGPEJQZGE-INIZCTEOSA-N 1 3 302.462 2.766 20 0 DFADHO C[C@]1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1(F)F ZINC000665267524 430876696 /nfs/dbraw/zinc/87/66/96/430876696.db2.gz YHBWDPQQUXNEDS-FVQBIDKESA-N 1 3 308.372 2.877 20 0 DFADHO CNC(=O)CC1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCCCC1 ZINC000665275846 430878761 /nfs/dbraw/zinc/87/87/61/430878761.db2.gz TXDPVTHHOZJOIE-IAGOWNOFSA-N 1 3 315.461 2.807 20 0 DFADHO Cn1cc(C[C@@H]2CCC[C@@H]2N[C@H]2C[C@H]([NH3+])c3ccccc32)cn1 ZINC000665273178 430879067 /nfs/dbraw/zinc/87/90/67/430879067.db2.gz QZBFTFWPAPBWSU-QZHFEQFPSA-N 1 3 310.445 2.866 20 0 DFADHO CCCN1CCC([NH2+]C[C@@H]2CCN2Cc2ccccc2)CC1 ZINC000658348862 430883339 /nfs/dbraw/zinc/88/33/39/430883339.db2.gz SLRCDKSSXTWFGI-IBGZPJMESA-N 1 3 301.478 2.725 20 0 DFADHO CCC[NH+]1CCC(NC[C@@H]2CCN2Cc2ccccc2)CC1 ZINC000658348862 430883342 /nfs/dbraw/zinc/88/33/42/430883342.db2.gz SLRCDKSSXTWFGI-IBGZPJMESA-N 1 3 301.478 2.725 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cccc2c1CCC2 ZINC000651651116 430839167 /nfs/dbraw/zinc/83/91/67/430839167.db2.gz LZPVPMJQLHHVON-YZGWKJHDSA-N 1 3 314.473 2.859 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294427 430889888 /nfs/dbraw/zinc/88/98/88/430889888.db2.gz OQEIVUMCMKHTIG-IPMKNSEASA-N 1 3 318.461 2.599 20 0 DFADHO CC1(C)COC[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648795031 430895531 /nfs/dbraw/zinc/89/55/31/430895531.db2.gz YPXPKLRMBAGIBP-SFHVURJKSA-N 1 3 318.461 2.676 20 0 DFADHO C[NH+](C)CCOc1ccc(CN2CC[C@]3(CC3(F)F)C2)cc1 ZINC000652062561 430949926 /nfs/dbraw/zinc/94/99/26/430949926.db2.gz OFCSBOLJCUVMCR-INIZCTEOSA-N 1 3 310.388 2.858 20 0 DFADHO CNCc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659018711 430942401 /nfs/dbraw/zinc/94/24/01/430942401.db2.gz LMNNDPZFRMRNKD-HNNXBMFYSA-N 1 3 318.465 2.648 20 0 DFADHO CNCc1cccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659018711 430942405 /nfs/dbraw/zinc/94/24/05/430942405.db2.gz LMNNDPZFRMRNKD-HNNXBMFYSA-N 1 3 318.465 2.648 20 0 DFADHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652201151 430985433 /nfs/dbraw/zinc/98/54/33/430985433.db2.gz XCCVYNPRVQBFLH-HIFRSBDPSA-N 1 3 324.465 2.951 20 0 DFADHO CCC[N@H+](C)CC(C)(C)NCCCn1c2ccccc2[nH]c1=O ZINC000662177031 430990726 /nfs/dbraw/zinc/99/07/26/430990726.db2.gz OYFKMDCPZNNOBF-UHFFFAOYSA-N 1 3 318.465 2.842 20 0 DFADHO CCC[N@@H+](C)CC(C)(C)NCCCn1c2ccccc2[nH]c1=O ZINC000662177031 430990727 /nfs/dbraw/zinc/99/07/27/430990727.db2.gz OYFKMDCPZNNOBF-UHFFFAOYSA-N 1 3 318.465 2.842 20 0 DFADHO CCOc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662248496 431012172 /nfs/dbraw/zinc/01/21/72/431012172.db2.gz DGUGUUDIMMSWBB-QZTJIDSGSA-N 1 3 316.445 2.743 20 0 DFADHO CCOc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662248496 431012179 /nfs/dbraw/zinc/01/21/79/431012179.db2.gz DGUGUUDIMMSWBB-QZTJIDSGSA-N 1 3 316.445 2.743 20 0 DFADHO NC1(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC2(CCC2)C1 ZINC000659308490 431019688 /nfs/dbraw/zinc/01/96/88/431019688.db2.gz UILQVLNTCXJILW-KRWDZBQOSA-N 1 3 323.440 2.617 20 0 DFADHO Clc1ccc([C@@H]2CC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256608 431020487 /nfs/dbraw/zinc/02/04/87/431020487.db2.gz WZPWUSSWDHGGOR-GDBMZVCRSA-N 1 3 306.837 2.650 20 0 DFADHO Clc1ccc([C@@H]2CC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256608 431020490 /nfs/dbraw/zinc/02/04/90/431020490.db2.gz WZPWUSSWDHGGOR-GDBMZVCRSA-N 1 3 306.837 2.650 20 0 DFADHO Cc1cc(C)n([C@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000652339210 431025173 /nfs/dbraw/zinc/02/51/73/431025173.db2.gz IBOMJNCIMZPBHQ-FQEVSTJZSA-N 1 3 324.472 2.983 20 0 DFADHO CNC[C@](C)(O)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000652336861 431025710 /nfs/dbraw/zinc/02/57/10/431025710.db2.gz IJRLXBGAEFAUOY-UXHICEINSA-N 1 3 310.441 2.605 20 0 DFADHO CNC[C@](C)(O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000652336861 431025716 /nfs/dbraw/zinc/02/57/16/431025716.db2.gz IJRLXBGAEFAUOY-UXHICEINSA-N 1 3 310.441 2.605 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc2c1CNC2 ZINC000662389000 431069332 /nfs/dbraw/zinc/06/93/32/431069332.db2.gz RZGZYACGQUHVLD-HNNXBMFYSA-N 1 3 315.461 2.674 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc2c1CNC2 ZINC000662389000 431069334 /nfs/dbraw/zinc/06/93/34/431069334.db2.gz RZGZYACGQUHVLD-HNNXBMFYSA-N 1 3 315.461 2.674 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000652355203 431030832 /nfs/dbraw/zinc/03/08/32/431030832.db2.gz QVIJBIWHSWKVCY-SUMWQHHRSA-N 1 3 321.440 2.912 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000652355203 431030837 /nfs/dbraw/zinc/03/08/37/431030837.db2.gz QVIJBIWHSWKVCY-SUMWQHHRSA-N 1 3 321.440 2.912 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355203 431030839 /nfs/dbraw/zinc/03/08/39/431030839.db2.gz QVIJBIWHSWKVCY-SUMWQHHRSA-N 1 3 321.440 2.912 20 0 DFADHO Clc1ccc([C@@H]([NH2+]C[C@@H]2CCC3(CNC3)O2)C2CC2)cc1 ZINC000662283573 431032740 /nfs/dbraw/zinc/03/27/40/431032740.db2.gz VEKWHWRRRFWLPD-HOTGVXAUSA-N 1 3 306.837 2.902 20 0 DFADHO C[C@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCc2ccc(Cl)cc21 ZINC000662286597 431035240 /nfs/dbraw/zinc/03/52/40/431035240.db2.gz RLKIWLGKIOAYKN-BBRMVZONSA-N 1 3 320.864 2.823 20 0 DFADHO COc1c(C)cnc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1C ZINC000662293383 431035961 /nfs/dbraw/zinc/03/59/61/431035961.db2.gz RHDYVKBJGCFBKE-QGZVFWFLSA-N 1 3 317.477 2.919 20 0 DFADHO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cccc3c2CCNC3)cn1 ZINC000662310260 431041906 /nfs/dbraw/zinc/04/19/06/431041906.db2.gz IYZHJSNXGXNIDD-JXFKEZNVSA-N 1 3 324.472 2.567 20 0 DFADHO Cc1ccccc1NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312978 431042491 /nfs/dbraw/zinc/04/24/91/431042491.db2.gz DBRYEWYBVPARJK-NVXWUHKLSA-N 1 3 303.450 2.773 20 0 DFADHO Cc1cccc2nc(CN3CCC[C@@H](C)[C@H]3CCC[NH3+])cn21 ZINC000662316770 431043193 /nfs/dbraw/zinc/04/31/93/431043193.db2.gz NJQVVDLHRGHBOA-RHSMWYFYSA-N 1 3 300.450 2.982 20 0 DFADHO C[C@@H](NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+])c1cccs1 ZINC000662315855 431045024 /nfs/dbraw/zinc/04/50/24/431045024.db2.gz UFKUETCNSFUISW-RBSFLKMASA-N 1 3 323.506 2.765 20 0 DFADHO C[NH+](C)CCC[C@H]1CN(C[C@@H]2CCc3ccccc3C2)CCO1 ZINC000662325877 431048181 /nfs/dbraw/zinc/04/81/81/431048181.db2.gz RWYBDMRUTFLBCU-XLIONFOSSA-N 1 3 316.489 2.834 20 0 DFADHO CCc1oc2ccccc2c1CN(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249155 431012537 /nfs/dbraw/zinc/01/25/37/431012537.db2.gz RAZYCKSSHONLDI-AWEZNQCLSA-N 1 3 314.429 2.948 20 0 DFADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662254819 431015310 /nfs/dbraw/zinc/01/53/10/431015310.db2.gz ADWDZXGMKJDYLK-FRFSOERESA-N 1 3 304.409 2.525 20 0 DFADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662254819 431015313 /nfs/dbraw/zinc/01/53/13/431015313.db2.gz ADWDZXGMKJDYLK-FRFSOERESA-N 1 3 304.409 2.525 20 0 DFADHO Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1C ZINC000662253836 431016234 /nfs/dbraw/zinc/01/62/34/431016234.db2.gz WZIZKQMHEJCNQF-ZWKOTPCHSA-N 1 3 300.446 2.961 20 0 DFADHO Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1C ZINC000662253836 431016237 /nfs/dbraw/zinc/01/62/37/431016237.db2.gz WZIZKQMHEJCNQF-ZWKOTPCHSA-N 1 3 300.446 2.961 20 0 DFADHO C[C@@H]1C[C@H](c2ccccc2F)N(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253978 431017225 /nfs/dbraw/zinc/01/72/25/431017225.db2.gz CTZCVLQARFBKDA-JKIFEVAISA-N 1 3 304.409 2.730 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662258045 431018214 /nfs/dbraw/zinc/01/82/14/431018214.db2.gz WHKYVLRIFQGJJM-GVDBMIGSSA-N 1 3 300.446 2.694 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662258045 431018221 /nfs/dbraw/zinc/01/82/21/431018221.db2.gz WHKYVLRIFQGJJM-GVDBMIGSSA-N 1 3 300.446 2.694 20 0 DFADHO Fc1ccccc1CC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662256538 431018693 /nfs/dbraw/zinc/01/86/93/431018693.db2.gz JDKZSJLUJSUPGC-KRWDZBQOSA-N 1 3 318.436 2.601 20 0 DFADHO C[NH+](C)Cc1ccc(NC2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000655745126 431110509 /nfs/dbraw/zinc/11/05/09/431110509.db2.gz AYIWJODHVFASCP-LJQANCHMSA-N 1 3 317.477 2.804 20 0 DFADHO [NH3+]CCCN(CC1CCCC1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662562189 431115807 /nfs/dbraw/zinc/11/58/07/431115807.db2.gz HCGFRUTWUKWESH-SFHVURJKSA-N 1 3 315.461 2.589 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000645927560 431115997 /nfs/dbraw/zinc/11/59/97/431115997.db2.gz SPUGYNZRLKEVSB-GOEBONIOSA-N 1 3 305.466 2.605 20 0 DFADHO CC[C@@H](NC)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000662400272 431071982 /nfs/dbraw/zinc/07/19/82/431071982.db2.gz PTXRVEZCFVGSHJ-QGZVFWFLSA-N 1 3 303.450 2.652 20 0 DFADHO Cc1ccc([C@@H](CNC(=O)C[C@@H](C[NH3+])CC(C)C)N(C)C)cc1 ZINC000662418954 431075050 /nfs/dbraw/zinc/07/50/50/431075050.db2.gz YVNMFTVEXXZCNW-FUHWJXTLSA-N 1 3 319.493 2.725 20 0 DFADHO C[NH+](C)CCc1ccc(NC(=O)c2cccc3c2CNC3)cc1 ZINC000662442968 431081560 /nfs/dbraw/zinc/08/15/60/431081560.db2.gz XFLXUABOSJSRIT-UHFFFAOYSA-N 1 3 309.413 2.646 20 0 DFADHO c1csc(CCN2CCN(CCCC3CC[NH2+]CC3)CC2)c1 ZINC000649411594 431094177 /nfs/dbraw/zinc/09/41/77/431094177.db2.gz JPTFLPCKGIDXGN-UHFFFAOYSA-N 1 3 321.534 2.688 20 0 DFADHO COc1c(C)cnc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000649417995 431096313 /nfs/dbraw/zinc/09/63/13/431096313.db2.gz TXRCBPOYIXRXEL-IRXDYDNUSA-N 1 3 317.477 2.919 20 0 DFADHO CNCc1cccc(NC(=O)NCCC[N@H+](C)CC(C)C)c1 ZINC000652610547 431100334 /nfs/dbraw/zinc/10/03/34/431100334.db2.gz CAOBBRZXRDXERI-UHFFFAOYSA-N 1 3 306.454 2.505 20 0 DFADHO CNCc1cccc(NC(=O)NCCC[N@@H+](C)CC(C)C)c1 ZINC000652610547 431100338 /nfs/dbraw/zinc/10/03/38/431100338.db2.gz CAOBBRZXRDXERI-UHFFFAOYSA-N 1 3 306.454 2.505 20 0 DFADHO CC(C)C[C@@H](CNC(=O)[C@H](C(C)C)N1CCCCC1)[NH+](C)C ZINC000358047352 278987660 /nfs/dbraw/zinc/98/76/60/278987660.db2.gz QQTKSTQOODLIJP-IRXDYDNUSA-N 1 3 311.514 2.589 20 0 DFADHO CC[N@H+](C)Cc1cccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000355410762 279040719 /nfs/dbraw/zinc/04/07/19/279040719.db2.gz KPQJWCSDRDEWPA-IYBDPMFKSA-N 1 3 317.477 2.627 20 0 DFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000355410762 279040720 /nfs/dbraw/zinc/04/07/20/279040720.db2.gz KPQJWCSDRDEWPA-IYBDPMFKSA-N 1 3 317.477 2.627 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC[C@@H](c1cccc(F)c1)N(C)C ZINC000133464393 288102937 /nfs/dbraw/zinc/10/29/37/288102937.db2.gz VVEHBQKUZZQMJP-NONVJHHQSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC[C@@H](c1cccc(F)c1)N(C)C ZINC000133464393 288102939 /nfs/dbraw/zinc/10/29/39/288102939.db2.gz VVEHBQKUZZQMJP-NONVJHHQSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000133464393 288102942 /nfs/dbraw/zinc/10/29/42/288102942.db2.gz VVEHBQKUZZQMJP-NONVJHHQSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@H](CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000371425604 279284776 /nfs/dbraw/zinc/28/47/76/279284776.db2.gz TXHJRGJJUADSIC-XLIONFOSSA-N 1 3 315.505 2.890 20 0 DFADHO C[C@H](CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000371425604 279284778 /nfs/dbraw/zinc/28/47/78/279284778.db2.gz TXHJRGJJUADSIC-XLIONFOSSA-N 1 3 315.505 2.890 20 0 DFADHO CC1(C)CC[NH2+][C@@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000662683063 431162700 /nfs/dbraw/zinc/16/27/00/431162700.db2.gz MVFPRORNKUDVSY-QGZVFWFLSA-N 1 3 315.461 2.999 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C)CN2CCC(C)CC2)cc1 ZINC000662694013 431165249 /nfs/dbraw/zinc/16/52/49/431165249.db2.gz NODVEPDOLDFCDQ-GJZGRUSLSA-N 1 3 303.450 2.557 20 0 DFADHO CN1CCC[C@H](CNC(=O)CC2([NH3+])CCC2)[C@H]1c1cccs1 ZINC000646071309 431169486 /nfs/dbraw/zinc/16/94/86/431169486.db2.gz OUCZWOIKBNKDKJ-CJNGLKHVSA-N 1 3 321.490 2.519 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000649585513 431174609 /nfs/dbraw/zinc/17/46/09/431174609.db2.gz YMLGIIJMSALUNF-KVPLUYHFSA-N 1 3 315.505 2.827 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000659897597 431177691 /nfs/dbraw/zinc/17/76/91/431177691.db2.gz YKXPRKYJYZCOOI-WMZOPIPTSA-N 1 3 316.489 2.884 20 0 DFADHO Cc1cc(C)c(CN2CCOC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000646104710 431186998 /nfs/dbraw/zinc/18/69/98/431186998.db2.gz UOBYKBSWCZAMPK-UHFFFAOYSA-N 1 3 302.462 2.908 20 0 DFADHO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000655851600 431187047 /nfs/dbraw/zinc/18/70/47/431187047.db2.gz ZIBPASFQNQGMCM-SIXLDLHFSA-N 1 3 316.445 2.981 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H](O)C(C)C)C2)s1 ZINC000649603425 431189975 /nfs/dbraw/zinc/18/99/75/431189975.db2.gz MALNQVFUCZEVBT-WBVHZDCISA-N 1 3 310.507 2.827 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H](O)C(C)C)C2)s1 ZINC000649603425 431189982 /nfs/dbraw/zinc/18/99/82/431189982.db2.gz MALNQVFUCZEVBT-WBVHZDCISA-N 1 3 310.507 2.827 20 0 DFADHO Cc1ccccc1C[C@H]1CCCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659931525 431194703 /nfs/dbraw/zinc/19/47/03/431194703.db2.gz OWKMXPJUDXRTTO-MOPGFXCFSA-N 1 3 304.478 2.703 20 0 DFADHO Cc1ccccc1C[C@H]1CCCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000659931525 431194707 /nfs/dbraw/zinc/19/47/07/431194707.db2.gz OWKMXPJUDXRTTO-MOPGFXCFSA-N 1 3 304.478 2.703 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662788614 431195254 /nfs/dbraw/zinc/19/52/54/431195254.db2.gz PDBBXZINXNPYAW-OWCLPIDISA-N 1 3 319.493 2.512 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662788614 431195260 /nfs/dbraw/zinc/19/52/60/431195260.db2.gz PDBBXZINXNPYAW-OWCLPIDISA-N 1 3 319.493 2.512 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662787754 431196364 /nfs/dbraw/zinc/19/63/64/431196364.db2.gz FEDUDCWHWWKHCM-HLLBOEOZSA-N 1 3 319.493 2.525 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662787754 431196368 /nfs/dbraw/zinc/19/63/68/431196368.db2.gz FEDUDCWHWWKHCM-HLLBOEOZSA-N 1 3 319.493 2.525 20 0 DFADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Br)cn1 ZINC000655803477 431155163 /nfs/dbraw/zinc/15/51/63/431155163.db2.gz QNPQGOQUUKHGCT-WZRBSPASSA-N 1 3 312.255 2.835 20 0 DFADHO CN[C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667418 431157506 /nfs/dbraw/zinc/15/75/06/431157506.db2.gz AAJXHNIHYQBZJG-HOCLYGCPSA-N 1 3 309.498 2.534 20 0 DFADHO CN[C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667418 431157514 /nfs/dbraw/zinc/15/75/14/431157514.db2.gz AAJXHNIHYQBZJG-HOCLYGCPSA-N 1 3 309.498 2.534 20 0 DFADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@H]3CCC[C@H](O)C3)C2)CC1 ZINC000659865819 431157899 /nfs/dbraw/zinc/15/78/99/431157899.db2.gz QJQSEFVMZWIRLL-FHWLQOOXSA-N 1 3 308.510 2.981 20 0 DFADHO CC1CCN(C[C@@H]2CCC[N@H+](C[C@H]3CCC[C@H](O)C3)C2)CC1 ZINC000659865819 431157907 /nfs/dbraw/zinc/15/79/07/431157907.db2.gz QJQSEFVMZWIRLL-FHWLQOOXSA-N 1 3 308.510 2.981 20 0 DFADHO CC1CCN(C[C@@H]2CCC[N@@H+](C[C@H]3CCC[C@H](O)C3)C2)CC1 ZINC000659865819 431157915 /nfs/dbraw/zinc/15/79/15/431157915.db2.gz QJQSEFVMZWIRLL-FHWLQOOXSA-N 1 3 308.510 2.981 20 0 DFADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ncc(Br)s1 ZINC000655805414 431158865 /nfs/dbraw/zinc/15/88/65/431158865.db2.gz NKXXYBSWNATYJC-LPEHRKFASA-N 1 3 318.284 2.896 20 0 DFADHO CC(C)[C@H](CNC(=O)C1(NC2CC2)CCC1)[NH+]1CCC(C)CC1 ZINC000662679925 431159139 /nfs/dbraw/zinc/15/91/39/431159139.db2.gz RSPONPJISJFFNB-KRWDZBQOSA-N 1 3 321.509 2.534 20 0 DFADHO C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000655907680 431214492 /nfs/dbraw/zinc/21/44/92/431214492.db2.gz MDJQYBKNKGKIEG-IRXDYDNUSA-N 1 3 316.449 2.544 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](CCN2CCN(C)CC23CCCCC3)C1 ZINC000659987602 431222758 /nfs/dbraw/zinc/22/27/58/431222758.db2.gz AYEALEWBELRNNI-ROUUACIJSA-N 1 3 307.526 2.915 20 0 DFADHO [NH3+]CCCOC1CCN(CCCc2c(F)cccc2F)CC1 ZINC000655938111 431227629 /nfs/dbraw/zinc/22/76/29/431227629.db2.gz NDXFVEARQNIZJZ-UHFFFAOYSA-N 1 3 312.404 2.727 20 0 DFADHO CO[C@H](CN1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000660002894 431231616 /nfs/dbraw/zinc/23/16/16/431231616.db2.gz BUVNBQRUQZYZQN-GOSISDBHSA-N 1 3 303.450 2.799 20 0 DFADHO O[C@@H]1CCC[C@H]1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000660013408 431233325 /nfs/dbraw/zinc/23/33/25/431233325.db2.gz XEDAXKXARXRJBX-MTQWCTHYSA-N 1 3 314.473 2.886 20 0 DFADHO O[C@@H]1CCC[C@H]1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000660013408 431233335 /nfs/dbraw/zinc/23/33/35/431233335.db2.gz XEDAXKXARXRJBX-MTQWCTHYSA-N 1 3 314.473 2.886 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000653043214 431239768 /nfs/dbraw/zinc/23/97/68/431239768.db2.gz HYUHCLLZRKHDIX-MSOLQXFVSA-N 1 3 317.477 2.575 20 0 DFADHO CN(Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H](O)C1CC1 ZINC000663076512 431280568 /nfs/dbraw/zinc/28/05/68/431280568.db2.gz BFJDBNAQQMOLTC-LJQANCHMSA-N 1 3 302.462 2.875 20 0 DFADHO C[C@H]1CN([C@@H]2C[C@@H]2c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660154159 431292888 /nfs/dbraw/zinc/29/28/88/431292888.db2.gz JIDJWBGVDUFDBL-OJAHFUOMSA-N 1 3 313.489 2.500 20 0 DFADHO CCC[NH2+][C@@H](C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646408827 431300552 /nfs/dbraw/zinc/30/05/52/431300552.db2.gz LRFJNOFXLUASIA-FUHWJXTLSA-N 1 3 317.477 2.718 20 0 DFADHO Cc1cc(C[C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)n(-c2ccccc2)n1 ZINC000656198190 431304361 /nfs/dbraw/zinc/30/43/61/431304361.db2.gz MIBFUZXVPSNGKW-UAGQMJEPSA-N 1 3 312.461 2.971 20 0 DFADHO Cc1cc(C[C@H](C)[NH2+][C@H]2CCC[C@@H](N)C2)n(-c2ccccc2)n1 ZINC000656198190 431304368 /nfs/dbraw/zinc/30/43/68/431304368.db2.gz MIBFUZXVPSNGKW-UAGQMJEPSA-N 1 3 312.461 2.971 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000656201587 431304871 /nfs/dbraw/zinc/30/48/71/431304871.db2.gz SCGMUHIEGCMZNI-JCGIZDLHSA-N 1 3 302.466 2.516 20 0 DFADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000656196918 431306499 /nfs/dbraw/zinc/30/64/99/431306499.db2.gz VWABQPJKOWUPLI-MJEQTWJJSA-N 1 3 301.434 2.956 20 0 DFADHO C[C@@H]([NH3+])CCN[C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000666775765 431353304 /nfs/dbraw/zinc/35/33/04/431353304.db2.gz LWLVFABWVODZAJ-MNOVXSKESA-N 1 3 317.355 2.749 20 0 DFADHO Cc1nn2c(CNCC[C@@H]3CCC[NH2+]C3)c(C(C)C)nc2s1 ZINC000666792242 431359506 /nfs/dbraw/zinc/35/95/06/431359506.db2.gz XEMQOSNDTFJMEA-ZDUSSCGKSA-N 1 3 321.494 2.702 20 0 DFADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416393 431420340 /nfs/dbraw/zinc/42/03/40/431420340.db2.gz QVMNNFDVXQJOLZ-DLBZAZTESA-N 1 3 323.525 2.687 20 0 DFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416393 431420347 /nfs/dbraw/zinc/42/03/47/431420347.db2.gz QVMNNFDVXQJOLZ-DLBZAZTESA-N 1 3 323.525 2.687 20 0 DFADHO C[NH+](C)[C@@H]1CCCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416393 431420352 /nfs/dbraw/zinc/42/03/52/431420352.db2.gz QVMNNFDVXQJOLZ-DLBZAZTESA-N 1 3 323.525 2.687 20 0 DFADHO c1ccc(N2CC[C@@H](NC[C@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663347159 431375455 /nfs/dbraw/zinc/37/54/55/431375455.db2.gz ZWHHUWFBZKZTHO-RTBURBONSA-N 1 3 313.489 2.977 20 0 DFADHO c1ccc(N2CC[C@@H](NC[C@H]3CCC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000663347159 431375463 /nfs/dbraw/zinc/37/54/63/431375463.db2.gz ZWHHUWFBZKZTHO-RTBURBONSA-N 1 3 313.489 2.977 20 0 DFADHO c1ccc(N2CC[C@@H]([NH2+]C[C@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000663347159 431375467 /nfs/dbraw/zinc/37/54/67/431375467.db2.gz ZWHHUWFBZKZTHO-RTBURBONSA-N 1 3 313.489 2.977 20 0 DFADHO Cc1cccc2c1ncc(C)c2NCCC[NH+]1CCC(O)CC1 ZINC000663403001 431407068 /nfs/dbraw/zinc/40/70/68/431407068.db2.gz QGVFCWKDGSSOIK-UHFFFAOYSA-N 1 3 313.445 2.532 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc3c(n2)CCC3)C[C@H](C)O1 ZINC000656493470 431408964 /nfs/dbraw/zinc/40/89/64/431408964.db2.gz CEYGMTDBFLVVOS-HOTGVXAUSA-N 1 3 317.477 2.549 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000656499044 431410592 /nfs/dbraw/zinc/41/05/92/431410592.db2.gz FUJKWQBHWDYYHB-IBGZPJMESA-N 1 3 313.489 2.822 20 0 DFADHO C[C@@H]1C[NH2+]CC[C@@H]1CN1CCNC[C@H]1c1cccc(Cl)c1 ZINC000663494020 431442506 /nfs/dbraw/zinc/44/25/06/431442506.db2.gz KKPXUWQKYQVNFI-UNEWFSDZSA-N 1 3 307.869 2.532 20 0 DFADHO COc1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c(OC)c1 ZINC000656783874 431518977 /nfs/dbraw/zinc/51/89/77/431518977.db2.gz AYIOXJZMYAUWSX-MRXNPFEDSA-N 1 3 318.461 2.915 20 0 DFADHO CCOc1cccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000656784569 431519503 /nfs/dbraw/zinc/51/95/03/431519503.db2.gz FMEFMVYJKPMSDY-MRXNPFEDSA-N 1 3 303.450 2.692 20 0 DFADHO COc1ccc(OC)c(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786214 431521675 /nfs/dbraw/zinc/52/16/75/431521675.db2.gz PTVGVLPJQCWFNG-MRXNPFEDSA-N 1 3 318.461 2.915 20 0 DFADHO CC(C)(C)n1cc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656785540 431522117 /nfs/dbraw/zinc/52/21/17/431522117.db2.gz LSQRHIVFMGNCHY-KRWDZBQOSA-N 1 3 304.482 2.850 20 0 DFADHO COc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1O ZINC000656785535 431522137 /nfs/dbraw/zinc/52/21/37/431522137.db2.gz LMQXZIGJXBQKKB-MRXNPFEDSA-N 1 3 304.434 2.612 20 0 DFADHO c1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc2c1OCC2 ZINC000656786422 431522471 /nfs/dbraw/zinc/52/24/71/431522471.db2.gz SHHDBRZUXQURRN-SFHVURJKSA-N 1 3 300.446 2.833 20 0 DFADHO Cc1nc2ccccn2c1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786428 431522712 /nfs/dbraw/zinc/52/27/12/431522712.db2.gz SMQHGVYVKXNSOT-KRWDZBQOSA-N 1 3 312.461 2.854 20 0 DFADHO Cc1nn(C(C)C)cc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656785415 431523868 /nfs/dbraw/zinc/52/38/68/431523868.db2.gz HDGMKAJSSAFFBO-KRWDZBQOSA-N 1 3 304.482 2.984 20 0 DFADHO c1cc([C@@H]2CNCCO2)ccc1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000656793236 431525477 /nfs/dbraw/zinc/52/54/77/431525477.db2.gz RKPLZODTQYPELF-OKYOBFRVSA-N 1 3 315.461 2.680 20 0 DFADHO Cc1ccc(-c2nn(C)cc2C[NH2+]CCCN2CCCCC2)o1 ZINC000647168671 431489348 /nfs/dbraw/zinc/48/93/48/431489348.db2.gz GWLOIGPCCCWKOK-UHFFFAOYSA-N 1 3 316.449 2.954 20 0 DFADHO CCOc1ccc(OCC[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000660652546 431532426 /nfs/dbraw/zinc/53/24/26/431532426.db2.gz KBRBNNOIZGBHSA-LJQANCHMSA-N 1 3 318.461 2.882 20 0 DFADHO CCOc1ccc(OCC[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000660652546 431532430 /nfs/dbraw/zinc/53/24/30/431532430.db2.gz KBRBNNOIZGBHSA-LJQANCHMSA-N 1 3 318.461 2.882 20 0 DFADHO C[C@H]1C[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)CCN1C ZINC000154004475 280010522 /nfs/dbraw/zinc/01/05/22/280010522.db2.gz JLVJKFPHXHJOFG-BBWFWOEESA-N 1 3 305.466 2.879 20 0 DFADHO CCC[NH+]1CCC(NCCc2cn3c(cccc3C)n2)CC1 ZINC000647364789 431565219 /nfs/dbraw/zinc/56/52/19/431565219.db2.gz MMDACJXSMYTLCH-UHFFFAOYSA-N 1 3 300.450 2.649 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(CN(C)C)cc1 ZINC000113198565 280254279 /nfs/dbraw/zinc/25/42/79/280254279.db2.gz SJBHVVPRAGFABJ-GOSISDBHSA-N 1 3 317.477 2.743 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(CN(C)C)cc1 ZINC000113198565 280254280 /nfs/dbraw/zinc/25/42/80/280254280.db2.gz SJBHVVPRAGFABJ-GOSISDBHSA-N 1 3 317.477 2.743 20 0 DFADHO CC(C)[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000272738143 280324983 /nfs/dbraw/zinc/32/49/83/280324983.db2.gz KKOUZDBHCNUJAU-INIZCTEOSA-N 1 3 312.404 2.708 20 0 DFADHO CC[C@H]1CN(Cc2ccc(C)cc2-c2ccnn2C)CC[C@@H]1[NH3+] ZINC000647497759 431604794 /nfs/dbraw/zinc/60/47/94/431604794.db2.gz UDYAOCBVLVTWGF-YJBOKZPZSA-N 1 3 312.461 2.955 20 0 DFADHO CCOc1ccccc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705344 431654418 /nfs/dbraw/zinc/65/44/18/431654418.db2.gz FAMTZQJDZUXREV-LNLFQRSKSA-N 1 3 318.461 2.804 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3scnc3C3CC3)C2)C1 ZINC000650707745 431654930 /nfs/dbraw/zinc/65/49/30/431654930.db2.gz MGLRRVKRLOKGBG-RRFJBIMHSA-N 1 3 321.490 2.739 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)C1 ZINC000650705869 431655112 /nfs/dbraw/zinc/65/51/12/431655112.db2.gz ZFTOOUFLHNBGAE-VBQJREDUSA-N 1 3 310.388 2.683 20 0 DFADHO Cn1cc(-c2ccc(CN3C[C@@H]4CCC[C@]4(C[NH3+])C3)s2)cn1 ZINC000650709512 431656311 /nfs/dbraw/zinc/65/63/11/431656311.db2.gz CPJSJABCGZFKND-YOEHRIQHSA-N 1 3 316.474 2.709 20 0 DFADHO Cn1cc(-c2ccc(C[N@@H+]3C[C@@H]4CCC[C@]4(CN)C3)s2)cn1 ZINC000650709512 431656315 /nfs/dbraw/zinc/65/63/15/431656315.db2.gz CPJSJABCGZFKND-YOEHRIQHSA-N 1 3 316.474 2.709 20 0 DFADHO Cn1cc(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@]4(CN)C3)s2)cn1 ZINC000650709512 431656320 /nfs/dbraw/zinc/65/63/20/431656320.db2.gz CPJSJABCGZFKND-YOEHRIQHSA-N 1 3 316.474 2.709 20 0 DFADHO CCO[C@@H]1C[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C[C@H]1CN ZINC000650714320 431659188 /nfs/dbraw/zinc/65/91/88/431659188.db2.gz YPPCMSVVQJYNFP-OWYHZJEWSA-N 1 3 302.462 2.792 20 0 DFADHO CCO[C@@H]1C[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C[C@H]1CN ZINC000650714320 431659195 /nfs/dbraw/zinc/65/91/95/431659195.db2.gz YPPCMSVVQJYNFP-OWYHZJEWSA-N 1 3 302.462 2.792 20 0 DFADHO [NH3+]CC1(CCNCc2ccc(F)cc2Br)CC1 ZINC000650712777 431659873 /nfs/dbraw/zinc/65/98/73/431659873.db2.gz UCRQDGZZIRBKPL-UHFFFAOYSA-N 1 3 301.203 2.807 20 0 DFADHO CN(CCN1CC[NH2+]CC1)Cc1cc(-c2ccccc2)cs1 ZINC000647492888 431605514 /nfs/dbraw/zinc/60/55/14/431605514.db2.gz GMLNEPFHCSPYDK-UHFFFAOYSA-N 1 3 315.486 2.752 20 0 DFADHO CC(C)(C)n1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542762 431622391 /nfs/dbraw/zinc/62/23/91/431622391.db2.gz BNWGGKISVOBOTC-IAGOWNOFSA-N 1 3 304.482 2.850 20 0 DFADHO Cc1cccn2c(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cnc12 ZINC000647543407 431624227 /nfs/dbraw/zinc/62/42/27/431624227.db2.gz MUOPTNOKKDEAHL-IRXDYDNUSA-N 1 3 312.461 2.854 20 0 DFADHO Cc1nn(C(C)C)cc1CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650724017 431664389 /nfs/dbraw/zinc/66/43/89/431664389.db2.gz XGFNJBFWAOSNPI-KZNAEPCWSA-N 1 3 320.481 2.633 20 0 DFADHO COc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722695 431664649 /nfs/dbraw/zinc/66/46/49/431664649.db2.gz ZYPOYWBHRKRZOH-JQHSSLGASA-N 1 3 304.434 2.556 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNCc2c(C3CC3)cnn2C)C1 ZINC000657311435 431665191 /nfs/dbraw/zinc/66/51/91/431665191.db2.gz KHPWYYKBZQEQSG-OAHLLOKOSA-N 1 3 304.482 2.899 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2c(C3CC3)cnn2C)C1 ZINC000657311435 431665198 /nfs/dbraw/zinc/66/51/98/431665198.db2.gz KHPWYYKBZQEQSG-OAHLLOKOSA-N 1 3 304.482 2.899 20 0 DFADHO CCN1CC[C@H](C[NH2+]Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000657314822 431669587 /nfs/dbraw/zinc/66/95/87/431669587.db2.gz AZDRKGREBIHNID-DOTOQJQBSA-N 1 3 306.450 2.532 20 0 DFADHO CC1CC[NH+](CCCCNCc2c(C3CC3)cnn2C)CC1 ZINC000657312286 431670774 /nfs/dbraw/zinc/67/07/74/431670774.db2.gz HKVUVWLUQFIVCV-UHFFFAOYSA-N 1 3 304.482 2.899 20 0 DFADHO Cc1c([C@@H](C)NCCC2(C[NH3+])CC2)nnn1-c1ccc(C)cc1 ZINC000650744571 431675129 /nfs/dbraw/zinc/67/51/29/431675129.db2.gz QNSPXTGVHOCZOH-CQSZACIVSA-N 1 3 313.449 2.664 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2ccccc2F)CCC1 ZINC000650740750 431675961 /nfs/dbraw/zinc/67/59/61/431675961.db2.gz PZJUBQSHAOQYCD-VBQJREDUSA-N 1 3 306.425 2.589 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740750 431675967 /nfs/dbraw/zinc/67/59/67/431675967.db2.gz PZJUBQSHAOQYCD-VBQJREDUSA-N 1 3 306.425 2.589 20 0 DFADHO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657325974 431677748 /nfs/dbraw/zinc/67/77/48/431677748.db2.gz QJKLRNDALCAANR-GASCZTMLSA-N 1 3 304.482 2.675 20 0 DFADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000650758149 431682142 /nfs/dbraw/zinc/68/21/42/431682142.db2.gz KDSFIBGVHINOAH-HNNXBMFYSA-N 1 3 321.428 2.838 20 0 DFADHO Fc1cccc(OC(F)F)c1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647789321 431687465 /nfs/dbraw/zinc/68/74/65/431687465.db2.gz APFZPFKLDVLQOY-SDDRHHMPSA-N 1 3 314.351 2.905 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647801464 431693612 /nfs/dbraw/zinc/69/36/12/431693612.db2.gz WKEFGJDUSJIMHE-KFWWJZLASA-N 1 3 306.475 2.908 20 0 DFADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000647802469 431693910 /nfs/dbraw/zinc/69/39/10/431693910.db2.gz NOPNSMBXACRWIR-AWEZNQCLSA-N 1 3 311.429 2.698 20 0 DFADHO Cc1cccc2nc(CCN[C@H](Cc3ccccc3)[C@@H](C)[NH3+])cn21 ZINC000647804589 431695319 /nfs/dbraw/zinc/69/53/19/431695319.db2.gz VCUVZDMXNGVFDZ-VQIMIIECSA-N 1 3 322.456 2.733 20 0 DFADHO CC[C@@H]1C[C@H](NCc2ccc(OCCC[NH+](C)C)cc2)CO1 ZINC000657352668 431696195 /nfs/dbraw/zinc/69/61/95/431696195.db2.gz KNNJGDXSAUPDKJ-DLBZAZTESA-N 1 3 306.450 2.674 20 0 DFADHO CC[C@H]1C[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CO1 ZINC000657358484 431699627 /nfs/dbraw/zinc/69/96/27/431699627.db2.gz WYEFDIRWHONPCT-ROUUACIJSA-N 1 3 318.461 2.818 20 0 DFADHO Cc1ccc(F)cc1CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723263 431663922 /nfs/dbraw/zinc/66/39/22/431663922.db2.gz KMPIUTMMPONRAC-KSZLIROESA-N 1 3 306.425 2.995 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000647964153 431753569 /nfs/dbraw/zinc/75/35/69/431753569.db2.gz VJCKSAOBOBXKNS-OALUTQOASA-N 1 3 304.478 2.741 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000647964153 431753577 /nfs/dbraw/zinc/75/35/77/431753577.db2.gz VJCKSAOBOBXKNS-OALUTQOASA-N 1 3 304.478 2.741 20 0 DFADHO C(c1noc2c1CCCC2)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977994 431761717 /nfs/dbraw/zinc/76/17/17/431761717.db2.gz KTOQTNBTLVAEPG-CABCVRRESA-N 1 3 303.450 2.765 20 0 DFADHO C[C@H](C(=O)Nc1ccccc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976910 431762694 /nfs/dbraw/zinc/76/26/94/431762694.db2.gz VZVMBICPMBJRRL-BRWVUGGUSA-N 1 3 315.461 2.725 20 0 DFADHO CCC[N@H+](CCOCc1ccc(OC)cc1)C1CCNCC1 ZINC000647895347 431720510 /nfs/dbraw/zinc/72/05/10/431720510.db2.gz OOXNBOQWNHFBBN-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO CCC[N@@H+](CCOCc1ccc(OC)cc1)C1CCNCC1 ZINC000647895347 431720513 /nfs/dbraw/zinc/72/05/13/431720513.db2.gz OOXNBOQWNHFBBN-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO CCCN(CCOCc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000647895347 431720518 /nfs/dbraw/zinc/72/05/18/431720518.db2.gz OOXNBOQWNHFBBN-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO CCn1cc([C@@H]2OCC[C@H]2CNCCC[N@H+](C)CC(C)C)cn1 ZINC000657501505 431788714 /nfs/dbraw/zinc/78/87/14/431788714.db2.gz WQENTAKYYZVOGI-FUHWJXTLSA-N 1 3 322.497 2.548 20 0 DFADHO CCn1cc([C@@H]2OCC[C@H]2CNCCC[N@@H+](C)CC(C)C)cn1 ZINC000657501505 431788724 /nfs/dbraw/zinc/78/87/24/431788724.db2.gz WQENTAKYYZVOGI-FUHWJXTLSA-N 1 3 322.497 2.548 20 0 DFADHO CC(C)O[C@@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000648047662 431800672 /nfs/dbraw/zinc/80/06/72/431800672.db2.gz KNIHFWTYPPKWPQ-GOSISDBHSA-N 1 3 306.450 2.626 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc2ccccc2o1 ZINC000657572702 431814553 /nfs/dbraw/zinc/81/45/53/431814553.db2.gz CBTHVHNPUSRCKE-HNNXBMFYSA-N 1 3 303.450 2.794 20 0 DFADHO CCCN(C[C@@H]1CC[NH2+]C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000647991221 431767194 /nfs/dbraw/zinc/76/71/94/431767194.db2.gz MEHNBGWUHQMALR-HZPDHXFCSA-N 1 3 303.450 2.725 20 0 DFADHO Cc1cccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657594242 431820440 /nfs/dbraw/zinc/82/04/40/431820440.db2.gz HIEOYBDVXXUTEL-FQEVSTJZSA-N 1 3 310.441 2.851 20 0 DFADHO Cc1cccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657594242 431820447 /nfs/dbraw/zinc/82/04/47/431820447.db2.gz HIEOYBDVXXUTEL-FQEVSTJZSA-N 1 3 310.441 2.851 20 0 DFADHO c1ccc([C@@H]2CO[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000657657128 431834007 /nfs/dbraw/zinc/83/40/07/431834007.db2.gz WBMDWUHOMFLKGH-MANSERQUSA-N 1 3 300.446 2.776 20 0 DFADHO c1ccc([C@@H]2CO[C@H](CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000657657128 431834010 /nfs/dbraw/zinc/83/40/10/431834010.db2.gz WBMDWUHOMFLKGH-MANSERQUSA-N 1 3 300.446 2.776 20 0 DFADHO Cc1ccccc1C1(O)CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000364052222 281335807 /nfs/dbraw/zinc/33/58/07/281335807.db2.gz BCTQHTJLPIHFIV-QGZVFWFLSA-N 1 3 302.462 2.763 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000288398158 282026613 /nfs/dbraw/zinc/02/66/13/282026613.db2.gz YOXZSWQTRCSMHL-CZUORRHYSA-N 1 3 323.456 2.711 20 0 DFADHO C[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)N1CCCCCC1 ZINC000363598516 289348383 /nfs/dbraw/zinc/34/83/83/289348383.db2.gz AFWMQDLZRGFIEE-MRXNPFEDSA-N 1 3 321.509 2.774 20 0 DFADHO CN1CC[C@H](CNC(=O)C2([NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000372097821 290194004 /nfs/dbraw/zinc/19/40/04/290194004.db2.gz CYEBOEJKDQHZOK-UKRRQHHQSA-N 1 3 321.490 2.519 20 0 DFADHO C[C@H](c1ccc(F)cc1)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371426850 290230770 /nfs/dbraw/zinc/23/07/70/290230770.db2.gz ZHPDZFIZOWFFPF-DNVCBOLYSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@H](c1ccc(F)cc1)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371426850 290230774 /nfs/dbraw/zinc/23/07/74/290230774.db2.gz ZHPDZFIZOWFFPF-DNVCBOLYSA-N 1 3 319.468 2.987 20 0 DFADHO [NH3+]CCCc1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000435727278 296971069 /nfs/dbraw/zinc/97/10/69/296971069.db2.gz VPSBLSCRJHRIKP-UHFFFAOYSA-N 1 3 300.406 2.614 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437848967 297072085 /nfs/dbraw/zinc/07/20/85/297072085.db2.gz XILHEGPOVKHPFS-MSOLQXFVSA-N 1 3 321.509 2.774 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437848967 297072088 /nfs/dbraw/zinc/07/20/88/297072088.db2.gz XILHEGPOVKHPFS-MSOLQXFVSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@H]1C ZINC000495095919 299903445 /nfs/dbraw/zinc/90/34/45/299903445.db2.gz YQZSIGFKHHEZJS-ZRGWGRIASA-N 1 3 302.462 2.777 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000261842233 295121581 /nfs/dbraw/zinc/12/15/81/295121581.db2.gz YUSUUZGJBOSKCQ-BRWVUGGUSA-N 1 3 318.461 2.757 20 0 DFADHO CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000158147155 295358616 /nfs/dbraw/zinc/35/86/16/295358616.db2.gz QYFGGBXMYSCVGU-HOCLYGCPSA-N 1 3 304.434 2.840 20 0 DFADHO CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000158147155 295358617 /nfs/dbraw/zinc/35/86/17/295358617.db2.gz QYFGGBXMYSCVGU-HOCLYGCPSA-N 1 3 304.434 2.840 20 0 DFADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158129275 295358883 /nfs/dbraw/zinc/35/88/83/295358883.db2.gz UNGWTGMXTXNCBG-ZIAGYGMSSA-N 1 3 315.461 2.909 20 0 DFADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158129275 295358884 /nfs/dbraw/zinc/35/88/84/295358884.db2.gz UNGWTGMXTXNCBG-ZIAGYGMSSA-N 1 3 315.461 2.909 20 0 DFADHO CCC[C@@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccccn1 ZINC000158626751 295365302 /nfs/dbraw/zinc/36/53/02/295365302.db2.gz ZTWRDQVYTVVTNB-GOSISDBHSA-N 1 3 318.509 2.930 20 0 DFADHO CC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1 ZINC000370623967 295461502 /nfs/dbraw/zinc/46/15/02/295461502.db2.gz DZPZLVOEBXHHIR-IEBWSBKVSA-N 1 3 301.478 2.896 20 0 DFADHO CC1CC[NH+](Cc2ccc(NC(=O)[C@]3(F)CCNC3)cc2)CC1 ZINC000370767713 295462977 /nfs/dbraw/zinc/46/29/77/295462977.db2.gz VUPQTXICGOZGLL-SFHVURJKSA-N 1 3 319.424 2.559 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CCC1 ZINC000397588367 295487986 /nfs/dbraw/zinc/48/79/86/295487986.db2.gz KOUNXHTUYJKOMR-INIZCTEOSA-N 1 3 302.462 2.792 20 0 DFADHO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)N1CCC(C)CC1 ZINC000438558076 297098723 /nfs/dbraw/zinc/09/87/23/297098723.db2.gz ZYALEAJCTZIWJX-FUHWJXTLSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)N1CCC(C)CC1 ZINC000438558076 297098724 /nfs/dbraw/zinc/09/87/24/297098724.db2.gz ZYALEAJCTZIWJX-FUHWJXTLSA-N 1 3 321.509 2.630 20 0 DFADHO Cc1ccccc1CCC[NH+]1CCC(N(C)C[C@@H](C)O)CC1 ZINC000440328075 297149917 /nfs/dbraw/zinc/14/99/17/297149917.db2.gz RYIBBZZGUZSECF-QGZVFWFLSA-N 1 3 304.478 2.705 20 0 DFADHO CO[C@@H]1CCN(C[C@@H](C)C[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441373855 297181726 /nfs/dbraw/zinc/18/17/26/297181726.db2.gz CJOVXANROZFGMP-PFJGLKMASA-N 1 3 312.498 2.621 20 0 DFADHO CO[C@@H]1CCN(C[C@@H](C)C[N@H+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441373855 297181728 /nfs/dbraw/zinc/18/17/28/297181728.db2.gz CJOVXANROZFGMP-PFJGLKMASA-N 1 3 312.498 2.621 20 0 DFADHO CO[C@@H]1CC[N@@H+](C[C@@H](C)CN2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441373855 297181731 /nfs/dbraw/zinc/18/17/31/297181731.db2.gz CJOVXANROZFGMP-PFJGLKMASA-N 1 3 312.498 2.621 20 0 DFADHO CO[C@@H]1CC[N@H+](C[C@@H](C)CN2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441373855 297181732 /nfs/dbraw/zinc/18/17/32/297181732.db2.gz CJOVXANROZFGMP-PFJGLKMASA-N 1 3 312.498 2.621 20 0 DFADHO CC[NH+](CC)CCOC1CCN(Cc2cncc(C)c2)CC1 ZINC000442691934 297201387 /nfs/dbraw/zinc/20/13/87/297201387.db2.gz YUAIKOALFCXPOP-UHFFFAOYSA-N 1 3 305.466 2.713 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1(C)C ZINC000442860008 297208526 /nfs/dbraw/zinc/20/85/26/297208526.db2.gz AZFMJIQYVSNZKV-KRWDZBQOSA-N 1 3 321.896 2.943 20 0 DFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1CCC(F)(F)CC1 ZINC000442869976 297208851 /nfs/dbraw/zinc/20/88/51/297208851.db2.gz CDAMLYLNYKUQCS-CQSZACIVSA-N 1 3 317.468 2.816 20 0 DFADHO C[C@H](CCc1ccccc1F)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442868534 297208920 /nfs/dbraw/zinc/20/89/20/297208920.db2.gz CMXYXCBCNMIWPW-MRXNPFEDSA-N 1 3 321.484 2.762 20 0 DFADHO CSc1cc2c(cc1CN1CCC[C@H](CC[NH3+])C1)OCCO2 ZINC000442919372 297211270 /nfs/dbraw/zinc/21/12/70/297211270.db2.gz ITSRROVITQOHKO-CYBMUJFWSA-N 1 3 322.474 2.741 20 0 DFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)cc1C ZINC000443061955 297214393 /nfs/dbraw/zinc/21/43/93/297214393.db2.gz SOWLMBTWVLSRKO-JKSUJKDBSA-N 1 3 303.450 2.691 20 0 DFADHO Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000443078666 297215563 /nfs/dbraw/zinc/21/55/63/297215563.db2.gz XIOYXOZKHMXSSC-CVEARBPZSA-N 1 3 303.450 2.691 20 0 DFADHO CCc1cc(NCCN2CCSCC2)c2ccccc2[nH+]1 ZINC000443894753 297227819 /nfs/dbraw/zinc/22/78/19/297227819.db2.gz IKRYLBITRNASGT-UHFFFAOYSA-N 1 3 301.459 2.680 20 0 DFADHO CC[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)NC1CCN(C2CC2)CC1 ZINC000444659197 297243823 /nfs/dbraw/zinc/24/38/23/297243823.db2.gz CNLTWHRKPNTWPT-MAUKXSAKSA-N 1 3 321.509 2.630 20 0 DFADHO CC[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)NC1CCN(C2CC2)CC1 ZINC000444659197 297243825 /nfs/dbraw/zinc/24/38/25/297243825.db2.gz CNLTWHRKPNTWPT-MAUKXSAKSA-N 1 3 321.509 2.630 20 0 DFADHO c1cn(Cc2ccccc2)c(CNCC2CC[NH+](C3CC3)CC2)n1 ZINC000446887423 297289493 /nfs/dbraw/zinc/28/94/93/297289493.db2.gz SMCHZCQTGHODBV-UHFFFAOYSA-N 1 3 324.472 2.895 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(C)cn2)C[C@@H]1C ZINC000447007941 297292616 /nfs/dbraw/zinc/29/26/16/297292616.db2.gz RVKSQZZWDRUIGZ-JKSUJKDBSA-N 1 3 318.465 2.523 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(C)cn2)C[C@@H]1C ZINC000447007941 297292618 /nfs/dbraw/zinc/29/26/18/297292618.db2.gz RVKSQZZWDRUIGZ-JKSUJKDBSA-N 1 3 318.465 2.523 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1)C1CC1 ZINC000447506625 297305763 /nfs/dbraw/zinc/30/57/63/297305763.db2.gz DHGUVYKZAYXGLV-RHSMWYFYSA-N 1 3 315.461 2.541 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000447736636 297315046 /nfs/dbraw/zinc/31/50/46/297315046.db2.gz OANNERPSCWQLAY-IRXDYDNUSA-N 1 3 304.478 2.957 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@@H]3CCC[C@@H]3C[NH3+])n2)cc1 ZINC000448547445 297341957 /nfs/dbraw/zinc/34/19/57/297341957.db2.gz WTHMLROTMGBIIL-HUUCEWRRSA-N 1 3 300.406 2.641 20 0 DFADHO C[C@@H](Cc1ccoc1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000449169853 297417058 /nfs/dbraw/zinc/41/70/58/297417058.db2.gz PRHBNGAGUORYJN-KRWDZBQOSA-N 1 3 319.493 2.751 20 0 DFADHO Cc1ccc([C@H](CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])N(C)C)cc1 ZINC000449331263 297447615 /nfs/dbraw/zinc/44/76/15/297447615.db2.gz XWAOUGHCBREUGE-KSZLIROESA-N 1 3 317.477 2.622 20 0 DFADHO O[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21)C(F)F ZINC000453123049 298065062 /nfs/dbraw/zinc/06/50/62/298065062.db2.gz FPVOWEALZRWCFT-YLFCFFPRSA-N 1 3 324.415 2.645 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000453260197 298077200 /nfs/dbraw/zinc/07/72/00/298077200.db2.gz CSYKJZATJNSNNU-ABAIWWIYSA-N 1 3 300.805 2.788 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000453260197 298077203 /nfs/dbraw/zinc/07/72/03/298077203.db2.gz CSYKJZATJNSNNU-ABAIWWIYSA-N 1 3 300.805 2.788 20 0 DFADHO CO[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000453268237 298078996 /nfs/dbraw/zinc/07/89/96/298078996.db2.gz NTTYWVTYVNWTJK-MANSERQUSA-N 1 3 302.462 2.707 20 0 DFADHO CO[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000453268237 298078998 /nfs/dbraw/zinc/07/89/98/298078998.db2.gz NTTYWVTYVNWTJK-MANSERQUSA-N 1 3 302.462 2.707 20 0 DFADHO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000453331365 298083786 /nfs/dbraw/zinc/08/37/86/298083786.db2.gz TYHNRZDMHSCJLR-ZTFGCOKTSA-N 1 3 306.450 2.845 20 0 DFADHO CC[C@H](O)[C@H](CC)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453338863 298084788 /nfs/dbraw/zinc/08/47/88/298084788.db2.gz BFCUESIDVJUWKX-JLSDUUJJSA-N 1 3 308.466 2.827 20 0 DFADHO COC(=O)N1CCC[C@H]([C@H](C)N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000496283795 300040800 /nfs/dbraw/zinc/04/08/00/300040800.db2.gz MLLJBHHACJZDFK-WRFANHODSA-N 1 3 317.433 2.588 20 0 DFADHO C[C@H]1C[C@H](CCNCc2ccnn2C)C[N@@H+]1Cc1ccccc1 ZINC000513493594 300257775 /nfs/dbraw/zinc/25/77/75/300257775.db2.gz BNXFQEUTLLGBTN-WMZOPIPTSA-N 1 3 312.461 2.810 20 0 DFADHO C[C@H]1C[C@H](CCNCc2ccnn2C)C[N@H+]1Cc1ccccc1 ZINC000513493594 300257778 /nfs/dbraw/zinc/25/77/78/300257778.db2.gz BNXFQEUTLLGBTN-WMZOPIPTSA-N 1 3 312.461 2.810 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000515311552 300300194 /nfs/dbraw/zinc/30/01/94/300300194.db2.gz NMDAMPPGSVJKND-FUHWJXTLSA-N 1 3 305.441 2.650 20 0 DFADHO COc1ccccc1N1CCC([NH2+][C@H](C)[C@@H]2CCCNC2)CC1 ZINC000515803471 300321300 /nfs/dbraw/zinc/32/13/00/300321300.db2.gz IBGUCYFJCRVPHV-HZPDHXFCSA-N 1 3 317.477 2.642 20 0 DFADHO CCOC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000517025135 300377893 /nfs/dbraw/zinc/37/78/93/300377893.db2.gz UFBYOCGABZRCPW-APWZRJJASA-N 1 3 320.477 2.548 20 0 DFADHO CCOC[C@@H](O)CNCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000517025135 300377896 /nfs/dbraw/zinc/37/78/96/300377896.db2.gz UFBYOCGABZRCPW-APWZRJJASA-N 1 3 320.477 2.548 20 0 DFADHO C[C@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)[C@H]1CCCNC1 ZINC000517023972 300378062 /nfs/dbraw/zinc/37/80/62/300378062.db2.gz JORCVYHIGBUJHT-FLODPWGTSA-N 1 3 302.462 2.520 20 0 DFADHO C[C@H](NCC1(CO)CC(c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000517023972 300378064 /nfs/dbraw/zinc/37/80/64/300378064.db2.gz JORCVYHIGBUJHT-FLODPWGTSA-N 1 3 302.462 2.520 20 0 DFADHO CC(C)[NH+](CCCNC(=O)[C@@H](N)CC1CCCCC1)C(C)C ZINC000517028428 300378666 /nfs/dbraw/zinc/37/86/66/300378666.db2.gz FXZQSQYCRKGLQB-KRWDZBQOSA-N 1 3 311.514 2.909 20 0 DFADHO CN1CCN(CCCC[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000525981470 300615810 /nfs/dbraw/zinc/61/58/10/300615810.db2.gz FYTSMTGIIMIPJD-UHFFFAOYSA-N 1 3 311.420 2.741 20 0 DFADHO CCC(F)(F)C(C)(C)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000527637263 300665005 /nfs/dbraw/zinc/66/50/05/300665005.db2.gz XJVKZVZNFFLQLC-UHFFFAOYSA-N 1 3 305.457 2.674 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@@H]1CC12CC2 ZINC000527857986 300701979 /nfs/dbraw/zinc/70/19/79/300701979.db2.gz GHBVYLBOCKHCSY-QAPCUYQASA-N 1 3 302.462 2.948 20 0 DFADHO Clc1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530238950 301033329 /nfs/dbraw/zinc/03/33/29/301033329.db2.gz QONAZQICKSNCON-KRWDZBQOSA-N 1 3 308.853 2.931 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3[nH]cnc3c2)C[C@@H](C)O1 ZINC000530722861 301065132 /nfs/dbraw/zinc/06/51/32/301065132.db2.gz DAPMPMAEHLFJSY-HUUCEWRRSA-N 1 3 316.449 2.542 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3nc[nH]c3c2)C[C@@H](C)O1 ZINC000530722861 301065134 /nfs/dbraw/zinc/06/51/34/301065134.db2.gz DAPMPMAEHLFJSY-HUUCEWRRSA-N 1 3 316.449 2.542 20 0 DFADHO C[C@@H]1CCN(CCNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000531984236 301123145 /nfs/dbraw/zinc/12/31/45/301123145.db2.gz POAXBUUFVAYHEZ-ZIFCJYIRSA-N 1 3 307.526 2.961 20 0 DFADHO Cc1cc(C)n(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)n1 ZINC000318487783 301239635 /nfs/dbraw/zinc/23/96/35/301239635.db2.gz ROCAYGCNXKYRRW-OKZBNKHCSA-N 1 3 304.482 2.790 20 0 DFADHO CN(Cc1cnc(-c2ccccc2)nc1)CC1CC[NH+](C)CC1 ZINC000537636401 301306691 /nfs/dbraw/zinc/30/66/91/301306691.db2.gz MFRKZXFBFUIPES-UHFFFAOYSA-N 1 3 310.445 2.917 20 0 DFADHO CCc1ccc([C@H](CNC(=O)CCCC[NH+](C)C)N(C)C)cc1 ZINC000552118710 301681843 /nfs/dbraw/zinc/68/18/43/301681843.db2.gz SKKOOUATVRFZDB-SFHVURJKSA-N 1 3 319.493 2.700 20 0 DFADHO Cc1cc(N(C)[C@H]2CC[NH2+]C2)c2cc(OC(F)F)ccc2n1 ZINC000561264780 301930642 /nfs/dbraw/zinc/93/06/42/301930642.db2.gz QPMRDWOKQZXIAS-NSHDSACASA-N 1 3 307.344 2.943 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000562958973 302017964 /nfs/dbraw/zinc/01/79/64/302017964.db2.gz ZSFIWHHIEYJBBY-HCXYKTFWSA-N 1 3 323.525 2.530 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cccc(-c2ccccn2)c1 ZINC000562959518 302018363 /nfs/dbraw/zinc/01/83/63/302018363.db2.gz WBZVEEUKTKFMHT-YJLNNSPDSA-N 1 3 311.429 2.591 20 0 DFADHO CCc1cccc(C[NH+]2CCC(CN3CCN(C)CC3)CC2)c1 ZINC000563256590 302055207 /nfs/dbraw/zinc/05/52/07/302055207.db2.gz CDOVILSUUSNKCJ-UHFFFAOYSA-N 1 3 315.505 2.708 20 0 DFADHO CCN1CCN(c2ccc(N[C@H]3CCC[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000563425027 302071692 /nfs/dbraw/zinc/07/16/92/302071692.db2.gz ODYXVDSKGFRIBH-SJORKVTESA-N 1 3 316.493 2.819 20 0 DFADHO C[C@H](NCCc1nc(-c2ccccn2)cs1)[C@@H]1CCC[NH2+]C1 ZINC000563446117 302073809 /nfs/dbraw/zinc/07/38/09/302073809.db2.gz WBHNJSKKDCOLEK-UONOGXRCSA-N 1 3 316.474 2.725 20 0 DFADHO C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)[C@@H]1CCCNC1 ZINC000563446117 302073811 /nfs/dbraw/zinc/07/38/11/302073811.db2.gz WBHNJSKKDCOLEK-UONOGXRCSA-N 1 3 316.474 2.725 20 0 DFADHO c1cc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc2c1OCO2 ZINC000564823541 302161227 /nfs/dbraw/zinc/16/12/27/302161227.db2.gz DLMUJDXMXAXGDD-BRWVUGGUSA-N 1 3 316.445 2.858 20 0 DFADHO CCOC[C@@H](O)CNCc1ccccc1C[NH+]1CCCCCC1 ZINC000564856497 302165055 /nfs/dbraw/zinc/16/50/55/302165055.db2.gz MCHZVINJTRKPLH-IBGZPJMESA-N 1 3 320.477 2.550 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1CN(C)C ZINC000565809697 302243522 /nfs/dbraw/zinc/24/35/22/302243522.db2.gz DXEHRDRWDFRSQQ-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1CN(C)C ZINC000565809697 302243524 /nfs/dbraw/zinc/24/35/24/302243524.db2.gz DXEHRDRWDFRSQQ-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@]1(C(=O)Nc2cccc(CN3CCCCC3)c2)CCC[NH2+]1 ZINC000565953309 302250502 /nfs/dbraw/zinc/25/05/02/302250502.db2.gz DTBMGKPJSULDQT-SFHVURJKSA-N 1 3 301.434 2.753 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(NC(=O)c3cccnc3)cc2)C1 ZINC000566020537 302254109 /nfs/dbraw/zinc/25/41/09/302254109.db2.gz TZYOLWWKXSQHHY-AEFFLSMTSA-N 1 3 324.428 2.693 20 0 DFADHO COc1ccccc1OCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000566089374 302258402 /nfs/dbraw/zinc/25/84/02/302258402.db2.gz HXBQKQDOCBXYBM-CYBMUJFWSA-N 1 3 315.417 2.587 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)C1 ZINC000566865851 302318510 /nfs/dbraw/zinc/31/85/10/302318510.db2.gz FQPXWHCKGUUGSP-ZIAGYGMSSA-N 1 3 307.404 2.510 20 0 DFADHO COC1CCN(C2(C[NH2+][C@@H]3CCCCC[C@@H]3N)CCCC2)CC1 ZINC000567579877 302369556 /nfs/dbraw/zinc/36/95/56/302369556.db2.gz OWKVXHUZBCTDCZ-ZWKOTPCHSA-N 1 3 323.525 2.660 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)[C@@H]1CCCNC1 ZINC000567639989 302375257 /nfs/dbraw/zinc/37/52/57/302375257.db2.gz UALRPBPGIXNUEM-RCCFBDPRSA-N 1 3 301.478 2.881 20 0 DFADHO Cc1ncc2c(n1)CC[C@H](N[C@@H](C)C[C@H]1CCCCC[NH2+]1)C2 ZINC000567641218 302376052 /nfs/dbraw/zinc/37/60/52/302376052.db2.gz OQILYIHYFRBRIX-XKQJLSEDSA-N 1 3 302.466 2.543 20 0 DFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](c1nnc[n-]1)C1CCCCC1 ZINC000567655276 302376240 /nfs/dbraw/zinc/37/62/40/302376240.db2.gz XAUQHUGVHAJBKW-AKZYDZMLSA-N 1 3 303.454 2.532 20 0 DFADHO CCO[C@H]1C[C@H](NCc2ccccc2OCC[NH+](C)C)C1(C)C ZINC000181627172 316066016 /nfs/dbraw/zinc/06/60/16/316066016.db2.gz NAWQQRMDSHCQGU-ROUUACIJSA-N 1 3 320.477 2.920 20 0 DFADHO CN(C)CCN(C(=O)CC[C@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000320764738 316254746 /nfs/dbraw/zinc/25/47/46/316254746.db2.gz SLENKYUFLWSCHO-SFHVURJKSA-N 1 3 317.477 2.799 20 0 DFADHO CN(C)CCN(C(=O)CC[C@@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000320764736 316255100 /nfs/dbraw/zinc/25/51/00/316255100.db2.gz SLENKYUFLWSCHO-GOSISDBHSA-N 1 3 317.477 2.799 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H](c2ccccc2OC)N(C)C)[C@@H](C)C1 ZINC000345248265 316316718 /nfs/dbraw/zinc/31/67/18/316316718.db2.gz KDYHZYBPYHDWBQ-RYQLBKOJSA-N 1 3 319.493 2.618 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCC(C)CC1)C1(C(=O)OC)CCC1 ZINC000353532795 316535677 /nfs/dbraw/zinc/53/56/77/316535677.db2.gz CYTXYZBWZMLHAF-INIZCTEOSA-N 1 3 310.482 2.820 20 0 DFADHO C[C@@H](c1ccsc1)N1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414714861 316638599 /nfs/dbraw/zinc/63/85/99/316638599.db2.gz QLAYUEOWCFUBLD-OWCLPIDISA-N 1 3 307.507 2.815 20 0 DFADHO CSc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000414792372 316659026 /nfs/dbraw/zinc/65/90/26/316659026.db2.gz RWHPTUPVPFKJTA-SJORKVTESA-N 1 3 306.475 2.737 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000414791802 316659180 /nfs/dbraw/zinc/65/91/80/316659180.db2.gz RCNJKBZCERYQLU-MJGOQNOKSA-N 1 3 311.429 2.563 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(Oc2cnccn2)cc1 ZINC000414792952 316659800 /nfs/dbraw/zinc/65/98/00/316659800.db2.gz CUFUQGKDVXBWRP-NVXWUHKLSA-N 1 3 312.417 2.876 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450376141 317087623 /nfs/dbraw/zinc/08/76/23/317087623.db2.gz ZTGPEJOMBZMOGC-XBMZPMPPSA-N 1 3 302.462 2.867 20 0 DFADHO Cn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453104351 317162812 /nfs/dbraw/zinc/16/28/12/317162812.db2.gz ZHQIZBORIDMNON-VAMGGRTRSA-N 1 3 324.472 2.953 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453200012 317168222 /nfs/dbraw/zinc/16/82/22/317168222.db2.gz UDHFERSWYVFDIH-WOJBJXKFSA-N 1 3 314.473 2.922 20 0 DFADHO COCCSCCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000488278033 317380311 /nfs/dbraw/zinc/38/03/11/317380311.db2.gz IFHHJTYYPIMKAN-HZPDHXFCSA-N 1 3 314.539 2.999 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488430223 317392414 /nfs/dbraw/zinc/39/24/14/317392414.db2.gz JXEVPBLZTNBIIV-IAGOWNOFSA-N 1 3 313.555 2.524 20 0 DFADHO CCc1cccc(F)c1C[NH2+]CCCCN1CCN(C)CC1 ZINC000526038005 317736451 /nfs/dbraw/zinc/73/64/51/317736451.db2.gz SMUCGNWDHXEMHK-UHFFFAOYSA-N 1 3 307.457 2.505 20 0 DFADHO CC(C)(CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C(=O)N1CCCC1 ZINC000530226514 317777232 /nfs/dbraw/zinc/77/72/32/317777232.db2.gz RODGDBDUDNLMSI-BRWVUGGUSA-N 1 3 321.509 2.535 20 0 DFADHO CC[NH+]1CCC(CN[C@@H](c2cnn(C)c2)c2ccccc2)CC1 ZINC000565519252 317923385 /nfs/dbraw/zinc/92/33/85/317923385.db2.gz PDLWMOBHZRFCSR-LJQANCHMSA-N 1 3 312.461 2.831 20 0 DFADHO CCN1CCN(c2ccccc2N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000571657027 317989120 /nfs/dbraw/zinc/98/91/20/317989120.db2.gz IKTABDCVLRBGQP-HOTGVXAUSA-N 1 3 302.466 2.510 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](O)Cc2ccccc2)C1 ZINC000574512340 318022847 /nfs/dbraw/zinc/02/28/47/318022847.db2.gz LMADPDSPJXGEFZ-OALUTQOASA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](O)Cc2ccccc2)C1 ZINC000574512340 318022848 /nfs/dbraw/zinc/02/28/48/318022848.db2.gz LMADPDSPJXGEFZ-OALUTQOASA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)Cc2ccccc2)C1 ZINC000574512339 318022853 /nfs/dbraw/zinc/02/28/53/318022853.db2.gz LMADPDSPJXGEFZ-MOPGFXCFSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)Cc2ccccc2)C1 ZINC000574512339 318022855 /nfs/dbraw/zinc/02/28/55/318022855.db2.gz LMADPDSPJXGEFZ-MOPGFXCFSA-N 1 3 304.478 2.548 20 0 DFADHO C[NH+](C)Cc1ccc(NC(=O)[C@@H](CN)c2ccc(F)cc2)cc1 ZINC000574634389 318029773 /nfs/dbraw/zinc/02/97/73/318029773.db2.gz MFNSRIXWCQXEMY-KRWDZBQOSA-N 1 3 315.392 2.568 20 0 DFADHO C[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)[C@@H](C)C1CCCCC1 ZINC000574803639 318041143 /nfs/dbraw/zinc/04/11/43/318041143.db2.gz OTIPQQUIKNUCSO-KGLIPLIRSA-N 1 3 319.497 2.966 20 0 DFADHO CC(C)n1ncc2cc(CNCc3ccc(C[NH3+])cc3)cnc21 ZINC000574989242 318055179 /nfs/dbraw/zinc/05/51/79/318055179.db2.gz KBTHTXNPUZMTLV-UHFFFAOYSA-N 1 3 309.417 2.761 20 0 DFADHO CCCCNC(=O)c1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000575002462 318056684 /nfs/dbraw/zinc/05/66/84/318056684.db2.gz LIBLQMGWGXNYHO-SJORKVTESA-N 1 3 303.450 2.576 20 0 DFADHO CCCCNC(=O)c1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000575002461 318056827 /nfs/dbraw/zinc/05/68/27/318056827.db2.gz LIBLQMGWGXNYHO-IRXDYDNUSA-N 1 3 303.450 2.576 20 0 DFADHO C[C@@H](CC[NH+](C)C)NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000575917062 318091413 /nfs/dbraw/zinc/09/14/13/318091413.db2.gz HHZHFYHAUWJXQS-WFASDCNBSA-N 1 3 318.383 2.539 20 0 DFADHO Cc1cc2c(cc1C)[C@@H](NCCOCC[NH+](C)C)CCCO2 ZINC000576662443 318141396 /nfs/dbraw/zinc/14/13/96/318141396.db2.gz ASCTZVKUOSICSJ-KRWDZBQOSA-N 1 3 306.450 2.685 20 0 DFADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000577856169 318221973 /nfs/dbraw/zinc/22/19/73/318221973.db2.gz PMUYRTOEIDNUFD-GASCZTMLSA-N 1 3 324.440 2.813 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCNc2ncc(Cl)cc2Cl)C1 ZINC000577887674 318224888 /nfs/dbraw/zinc/22/48/88/318224888.db2.gz ZLASPEKEQUPWKO-QWRGUYRKSA-N 1 3 303.237 2.660 20 0 DFADHO CC1(C)[C@@H](O)C[C@@H]1NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000577961384 318229526 /nfs/dbraw/zinc/22/95/26/318229526.db2.gz QQLVARKVAVVQAZ-ROUUACIJSA-N 1 3 302.462 2.922 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000578232250 318246843 /nfs/dbraw/zinc/24/68/43/318246843.db2.gz MVSHZASUQCKIRB-MJGOQNOKSA-N 1 3 322.468 2.687 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000578232250 318246846 /nfs/dbraw/zinc/24/68/46/318246846.db2.gz MVSHZASUQCKIRB-MJGOQNOKSA-N 1 3 322.468 2.687 20 0 DFADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CCCC34CC4)CC2)ccn1 ZINC000578454367 318262309 /nfs/dbraw/zinc/26/23/09/318262309.db2.gz XPPOQVUPTLSHOL-GOSISDBHSA-N 1 3 314.477 2.516 20 0 DFADHO C[C@@H](NCC1CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000579108248 318307598 /nfs/dbraw/zinc/30/75/98/318307598.db2.gz LGZQKHMKWKPVOG-SECBINFHSA-N 1 3 316.218 2.633 20 0 DFADHO [NH3+][C@H]1C[C@@H](c2nc(-c3cccc(CN4CCCCC4)c3)no2)C1 ZINC000579229544 318315870 /nfs/dbraw/zinc/31/58/70/318315870.db2.gz GZOHEHQWJQHBQS-IYBDPMFKSA-N 1 3 312.417 2.927 20 0 DFADHO C[C@@H](NCCOc1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000579342002 318323597 /nfs/dbraw/zinc/32/35/97/318323597.db2.gz IUTXGXIBFBSBRS-VXGBXAGGSA-N 1 3 300.805 2.836 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000579733947 318351631 /nfs/dbraw/zinc/35/16/31/318351631.db2.gz PYWFGUXDHBISFV-GJZGRUSLSA-N 1 3 318.396 2.668 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000579733947 318351633 /nfs/dbraw/zinc/35/16/33/318351633.db2.gz PYWFGUXDHBISFV-GJZGRUSLSA-N 1 3 318.396 2.668 20 0 DFADHO Cc1ncc2c(n1)CC[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000579825101 318356297 /nfs/dbraw/zinc/35/62/97/318356297.db2.gz MDCQGHIMNCHACH-OGWHTMIXSA-N 1 3 314.477 2.543 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC000580024933 318369119 /nfs/dbraw/zinc/36/91/19/318369119.db2.gz MWHLUADIMABQFV-INIZCTEOSA-N 1 3 319.493 2.989 20 0 DFADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H](C)[C@](C)(CN)C2)CN1Cc1ccccc1 ZINC000380937453 323292850 /nfs/dbraw/zinc/29/28/50/323292850.db2.gz KOKBRWAMZHNHBN-ZAWLATJESA-N 1 3 301.478 2.566 20 0 DFADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H](C)[C@](C)(CN)C2)CN1Cc1ccccc1 ZINC000380937453 323292854 /nfs/dbraw/zinc/29/28/54/323292854.db2.gz KOKBRWAMZHNHBN-ZAWLATJESA-N 1 3 301.478 2.566 20 0 DFADHO CCC[N@@H+](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000383550383 323304575 /nfs/dbraw/zinc/30/45/75/323304575.db2.gz GZRKIOUPBQVDIE-PMACEKPBSA-N 1 3 312.457 2.830 20 0 DFADHO CCC[N@H+](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000383550383 323304580 /nfs/dbraw/zinc/30/45/80/323304580.db2.gz GZRKIOUPBQVDIE-PMACEKPBSA-N 1 3 312.457 2.830 20 0 DFADHO CCCN(Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000383550383 323304584 /nfs/dbraw/zinc/30/45/84/323304584.db2.gz GZRKIOUPBQVDIE-PMACEKPBSA-N 1 3 312.457 2.830 20 0 DFADHO CN(CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000386870332 323321294 /nfs/dbraw/zinc/32/12/94/323321294.db2.gz KSICQLZDDBXMDB-IPMKNSEASA-N 1 3 301.478 2.629 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCN(C(C)C)C1)CC2 ZINC000387574359 323326551 /nfs/dbraw/zinc/32/65/51/323326551.db2.gz OMBWQSTXVNXCNS-QAPCUYQASA-N 1 3 302.462 2.872 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000389849842 323338479 /nfs/dbraw/zinc/33/84/79/323338479.db2.gz UKWYNRNXZZTZJM-VNVJMFPYSA-N 1 3 313.489 2.722 20 0 DFADHO C[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)CN1CCCC1 ZINC000396328475 323352936 /nfs/dbraw/zinc/35/29/36/323352936.db2.gz WOURYFQKFWGWNX-IYXRBSQSSA-N 1 3 308.388 2.544 20 0 DFADHO COc1cncc(/C=C\CC[N@@H+]2CC[C@@H](CN3CCCC3)C2)c1 ZINC000580307322 323368112 /nfs/dbraw/zinc/36/81/12/323368112.db2.gz MOSPNLWSCWNLNH-OWIVYFSNSA-N 1 3 315.461 2.911 20 0 DFADHO COc1cncc(/C=C\CC[N@H+]2CC[C@@H](CN3CCCC3)C2)c1 ZINC000580307322 323368117 /nfs/dbraw/zinc/36/81/17/323368117.db2.gz MOSPNLWSCWNLNH-OWIVYFSNSA-N 1 3 315.461 2.911 20 0 DFADHO [NH3+]CCC1CCN(CCOc2ccc(Cl)c(F)c2)CC1 ZINC000582127325 323621815 /nfs/dbraw/zinc/62/18/15/323621815.db2.gz QGSWKYITHXHPMX-UHFFFAOYSA-N 1 3 300.805 2.919 20 0 DFADHO COc1ccc(C[C@H](C)NCCC[NH2+]C(C)C)c(C)c1OC ZINC000582295235 323646871 /nfs/dbraw/zinc/64/68/71/323646871.db2.gz KYFGVLHTJLRGBE-AWEZNQCLSA-N 1 3 308.466 2.921 20 0 DFADHO COc1nc2ccccc2cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000582593621 323699407 /nfs/dbraw/zinc/69/94/07/323699407.db2.gz IXGNHHWPFIQKRH-FUHWJXTLSA-N 1 3 311.429 2.721 20 0 DFADHO Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000584285597 332212790 /nfs/dbraw/zinc/21/27/90/332212790.db2.gz RNGKXCQRHCWTRG-GOEBONIOSA-N 1 3 300.450 2.713 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000584564545 337363095 /nfs/dbraw/zinc/36/30/95/337363095.db2.gz GZGJKQAVCRMTNI-GOSISDBHSA-N 1 3 321.896 2.945 20 0 DFADHO CCC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000584670677 337381327 /nfs/dbraw/zinc/38/13/27/337381327.db2.gz LIYMHYHFTBBYOX-KURKYZTESA-N 1 3 315.461 2.998 20 0 DFADHO CCC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000584670679 337381385 /nfs/dbraw/zinc/38/13/85/337381385.db2.gz LIYMHYHFTBBYOX-RCCFBDPRSA-N 1 3 315.461 2.998 20 0 DFADHO CCc1ccc([C@@H]2CC[N@H+](C[C@@H](O)CN(C)C(C)C)C2)cc1 ZINC000660623490 500746994 /nfs/dbraw/zinc/74/69/94/500746994.db2.gz NSLWETRGKQWHCG-MOPGFXCFSA-N 1 3 304.478 2.739 20 0 DFADHO CCc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)CN(C)C(C)C)C2)cc1 ZINC000660623490 500746995 /nfs/dbraw/zinc/74/69/95/500746995.db2.gz NSLWETRGKQWHCG-MOPGFXCFSA-N 1 3 304.478 2.739 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000366328259 521644272 /nfs/dbraw/zinc/64/42/72/521644272.db2.gz ULTHHEQIRMGRAS-ROUUACIJSA-N 1 3 323.525 2.831 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000154334022 521681835 /nfs/dbraw/zinc/68/18/35/521681835.db2.gz MVXIYDCZQWMUOT-KXBFYZLASA-N 1 3 319.468 2.676 20 0 DFADHO C[NH+](C)CCOCCNCc1cnc(-c2cccs2)s1 ZINC000354188273 521794025 /nfs/dbraw/zinc/79/40/25/521794025.db2.gz FHOVSWTYECLFKX-UHFFFAOYSA-N 1 3 311.476 2.539 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(OC)cc1 ZINC000128367571 522583266 /nfs/dbraw/zinc/58/32/66/522583266.db2.gz GQUQHCCBQWIRSL-IBGZPJMESA-N 1 3 319.493 2.764 20 0 DFADHO CC(C)(C)NC(=[NH2+])NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000309672262 526299919 /nfs/dbraw/zinc/29/99/19/526299919.db2.gz UDMWKUIVHXAITJ-GOSISDBHSA-N 1 3 302.466 2.811 20 0 DFADHO CC1(C)Cc2cccc(CN3CCC(OCCC[NH3+])CC3)c2O1 ZINC000322304717 527776585 /nfs/dbraw/zinc/77/65/85/527776585.db2.gz WVCHYHLVPMVKDV-UHFFFAOYSA-N 1 3 318.461 2.730 20 0 DFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H](C)NC1CC1 ZINC000295662006 528126266 /nfs/dbraw/zinc/12/62/66/528126266.db2.gz JKKVCVCYPFFZCY-CQSZACIVSA-N 1 3 323.506 2.559 20 0 DFADHO CCOc1cc2[nH+]ccc(N3CC(N(C)C)C3)c2cc1OCC ZINC000302161561 528350870 /nfs/dbraw/zinc/35/08/70/528350870.db2.gz YNKGLVGQOQZZGU-UHFFFAOYSA-N 1 3 315.417 2.782 20 0 DFADHO CCC[C@](C)(N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309886327 528463393 /nfs/dbraw/zinc/46/33/93/528463393.db2.gz LGPLEXWDAXCVNF-HKUYNNGSSA-N 1 3 317.477 2.532 20 0 DFADHO CCC[C@](C)(N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309886327 528463395 /nfs/dbraw/zinc/46/33/95/528463395.db2.gz LGPLEXWDAXCVNF-HKUYNNGSSA-N 1 3 317.477 2.532 20 0 DFADHO CCN1CCC([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000309743478 528986569 /nfs/dbraw/zinc/98/65/69/528986569.db2.gz SROGRJACRRXBFL-GOSISDBHSA-N 1 3 301.478 2.582 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175110464 535216647 /nfs/dbraw/zinc/21/66/47/535216647.db2.gz LBIIVVSHEBGOHO-MRXNPFEDSA-N 1 3 311.514 2.686 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175110464 535216652 /nfs/dbraw/zinc/21/66/52/535216652.db2.gz LBIIVVSHEBGOHO-MRXNPFEDSA-N 1 3 311.514 2.686 20 0 DFADHO CCN1CCC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000361011503 535525224 /nfs/dbraw/zinc/52/52/24/535525224.db2.gz DTNZEOHJVUVRHC-KRWDZBQOSA-N 1 3 302.462 2.876 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000155667216 535741367 /nfs/dbraw/zinc/74/13/67/535741367.db2.gz XTYVPEIAWKBUQU-KGLIPLIRSA-N 1 3 311.420 2.641 20 0 DFADHO CCN(C[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1)CC(F)(F)F ZINC000245686989 535770391 /nfs/dbraw/zinc/77/03/91/535770391.db2.gz PTNXZBYJELGRMM-LSDHHAIUSA-N 1 3 321.431 2.677 20 0 DFADHO CCN(C[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1)CC(F)(F)F ZINC000245686989 535770395 /nfs/dbraw/zinc/77/03/95/535770395.db2.gz PTNXZBYJELGRMM-LSDHHAIUSA-N 1 3 321.431 2.677 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361596584 536390481 /nfs/dbraw/zinc/39/04/81/536390481.db2.gz UCLPKOITFKYKCG-PMACEKPBSA-N 1 3 316.489 2.788 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361596584 536390484 /nfs/dbraw/zinc/39/04/84/536390484.db2.gz UCLPKOITFKYKCG-PMACEKPBSA-N 1 3 316.489 2.788 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361596584 536390487 /nfs/dbraw/zinc/39/04/87/536390487.db2.gz UCLPKOITFKYKCG-PMACEKPBSA-N 1 3 316.489 2.788 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361596584 536390489 /nfs/dbraw/zinc/39/04/89/536390489.db2.gz UCLPKOITFKYKCG-PMACEKPBSA-N 1 3 316.489 2.788 20 0 DFADHO C[N@H+](CCOCC1CC1)CC1CCN(c2ccncc2)CC1 ZINC000354879656 536393745 /nfs/dbraw/zinc/39/37/45/536393745.db2.gz KQTUFJXTACEWAO-UHFFFAOYSA-N 1 3 303.450 2.656 20 0 DFADHO C[N@@H+](CCOCC1CC1)CC1CCN(c2ccncc2)CC1 ZINC000354879656 536393747 /nfs/dbraw/zinc/39/37/47/536393747.db2.gz KQTUFJXTACEWAO-UHFFFAOYSA-N 1 3 303.450 2.656 20 0 DFADHO COc1ccccc1OCCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261828046 537094503 /nfs/dbraw/zinc/09/45/03/537094503.db2.gz BDKFFCUOIFKKNP-MRXNPFEDSA-N 1 3 304.434 2.538 20 0 DFADHO Cc1ccc2nccc(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)c2c1 ZINC000680620474 545519999 /nfs/dbraw/zinc/51/99/99/545519999.db2.gz HQBBJGMWQYIYFN-RTBURBONSA-N 1 3 311.429 2.579 20 0 DFADHO CO[C@]1(CNCc2ccccc2C[NH+]2CCCCC2)CCOC1 ZINC000680853944 545552776 /nfs/dbraw/zinc/55/27/76/545552776.db2.gz UKPYOZFQHIIBLD-IBGZPJMESA-N 1 3 318.461 2.568 20 0 DFADHO COc1cc(C)c([C@@H](C)[NH+]2CCC(N(C)CCO)CC2)cc1C ZINC000682069005 545786242 /nfs/dbraw/zinc/78/62/42/545786242.db2.gz BSFCRZYAGWFRPH-MRXNPFEDSA-N 1 3 320.477 2.762 20 0 DFADHO CC(C)(CN[C@@H]1CCN(c2ccccc2)C1)C[NH+]1CCCC1 ZINC000682917232 545940685 /nfs/dbraw/zinc/94/06/85/545940685.db2.gz XCGAKKQKVJRQIL-QGZVFWFLSA-N 1 3 301.478 2.977 20 0 DFADHO CC(C)(C[NH2+][C@@H]1CCN(c2ccccc2)C1)CN1CCCC1 ZINC000682917232 545940688 /nfs/dbraw/zinc/94/06/88/545940688.db2.gz XCGAKKQKVJRQIL-QGZVFWFLSA-N 1 3 301.478 2.977 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)[C@@H]1CCc2ccccc21 ZINC000683783974 546094883 /nfs/dbraw/zinc/09/48/83/546094883.db2.gz AEEDJRAIVMVJJB-LJQANCHMSA-N 1 3 301.478 2.632 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)[C@@H]1CCc2ccccc21 ZINC000683783974 546094886 /nfs/dbraw/zinc/09/48/86/546094886.db2.gz AEEDJRAIVMVJJB-LJQANCHMSA-N 1 3 301.478 2.632 20 0 DFADHO CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCCN(C)C)c2)C1 ZINC000684371119 546202521 /nfs/dbraw/zinc/20/25/21/546202521.db2.gz LBWZOIBMNSOPCO-DLBZAZTESA-N 1 3 306.450 2.674 20 0 DFADHO CO[C@H]1CCC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000684389891 546207445 /nfs/dbraw/zinc/20/74/45/546207445.db2.gz YEVVJHDQEDRZLG-AEFFLSMTSA-N 1 3 303.450 2.845 20 0 DFADHO Cn1nc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000685463165 546354531 /nfs/dbraw/zinc/35/45/31/546354531.db2.gz VKNDCKOMCCERBT-INIZCTEOSA-N 1 3 312.461 2.737 20 0 DFADHO c1cc(CNCC2CC[NH+](C3CC3)CC2)c2c(c1)OCCCO2 ZINC000278539826 214222199 /nfs/dbraw/zinc/22/21/99/214222199.db2.gz WYUMZMHGECZMST-UHFFFAOYSA-N 1 3 316.445 2.812 20 0 DFADHO CCOc1ccc(CNC[C@H](CC[NH+](C)C)OCC)cc1F ZINC000278571907 214245638 /nfs/dbraw/zinc/24/56/38/214245638.db2.gz XMQJZCWFYQGZSP-HNNXBMFYSA-N 1 3 312.429 2.671 20 0 DFADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000443640675 297223630 /nfs/dbraw/zinc/22/36/30/297223630.db2.gz NVARDICWMHIMRZ-KSZLIROESA-N 1 3 323.525 2.661 20 0 DFADHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000309857386 231108010 /nfs/dbraw/zinc/10/80/10/231108010.db2.gz LTOCTTDOJOJTSE-LFZDHENXSA-N 1 3 314.473 2.912 20 0 DFADHO Cc1nn(C)c2ncc(CNCc3ccc(C[NH+](C)C)cc3)cc12 ZINC000237068528 398367130 /nfs/dbraw/zinc/36/71/30/398367130.db2.gz WLPNYABPBOEUFU-UHFFFAOYSA-N 1 3 323.444 2.628 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC[C@](C)(O)C(F)(F)F)C1 ZINC000518757541 300431040 /nfs/dbraw/zinc/43/10/40/300431040.db2.gz DWASMGFZJOGLKN-MCIONIFRSA-N 1 3 310.404 2.647 20 0 DFADHO CC[C@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C(C)(C)O ZINC000294859696 529666878 /nfs/dbraw/zinc/66/68/78/529666878.db2.gz BWTVXMYVFJFYOZ-PBHICJAKSA-N 1 3 308.466 2.827 20 0 DFADHO CCCC[NH+]1CCC(N[C@@H]2C[C@@H](OCC)[C@@H]2SC)CC1 ZINC000459387941 299093560 /nfs/dbraw/zinc/09/35/60/299093560.db2.gz DKXVNNXYNURYDV-BZUAXINKSA-N 1 3 300.512 2.750 20 0 DFADHO CN(C)[C@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)c1ccccc1 ZINC000261617350 282244210 /nfs/dbraw/zinc/24/42/10/282244210.db2.gz BSROILBJZYLUCC-ZWKOTPCHSA-N 1 3 317.477 2.703 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592158547 398394427 /nfs/dbraw/zinc/39/44/27/398394427.db2.gz GKHGYWVPEWQPDQ-HNNXBMFYSA-N 1 3 310.482 2.915 20 0 DFADHO C[C@H](NCCn1cc(Cl)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459405869 299098490 /nfs/dbraw/zinc/09/84/90/299098490.db2.gz OCPSZYVRVWPDMY-KBPBESRZSA-N 1 3 310.873 2.779 20 0 DFADHO C[C@H](NCCn1cc(Cl)cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459405869 299098494 /nfs/dbraw/zinc/09/84/94/299098494.db2.gz OCPSZYVRVWPDMY-KBPBESRZSA-N 1 3 310.873 2.779 20 0 DFADHO C[C@H]([NH2+]CCn1cc(Cl)cn1)[C@H]1CCCN(C2CCC2)C1 ZINC000459405869 299098498 /nfs/dbraw/zinc/09/84/98/299098498.db2.gz OCPSZYVRVWPDMY-KBPBESRZSA-N 1 3 310.873 2.779 20 0 DFADHO CN(C)Cc1cccc(C[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000584834571 398419357 /nfs/dbraw/zinc/41/93/57/398419357.db2.gz RHPAVYPMNYEAFH-HXUWFJFHSA-N 1 3 312.457 2.832 20 0 DFADHO C[N@H+](CCCNC(=O)c1ccc2c(c1)CNC2)C1CCCCC1 ZINC000321969251 529891555 /nfs/dbraw/zinc/89/15/55/529891555.db2.gz HTCORYOXPKRLPZ-UHFFFAOYSA-N 1 3 315.461 2.674 20 0 DFADHO C[N@@H+](CCCNC(=O)c1ccc2c(c1)CNC2)C1CCCCC1 ZINC000321969251 529891557 /nfs/dbraw/zinc/89/15/57/529891557.db2.gz HTCORYOXPKRLPZ-UHFFFAOYSA-N 1 3 315.461 2.674 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](CC(C)C)C2)[C@@H]1SC ZINC000459453754 299110925 /nfs/dbraw/zinc/11/09/25/299110925.db2.gz SZUNEJAOPDICQT-NXOAAHMSSA-N 1 3 314.539 2.853 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@@H]1SC ZINC000459453754 299110927 /nfs/dbraw/zinc/11/09/27/299110927.db2.gz SZUNEJAOPDICQT-NXOAAHMSSA-N 1 3 314.539 2.853 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(CC(C)C)C2)[C@@H]1SC ZINC000459453754 299110930 /nfs/dbraw/zinc/11/09/30/299110930.db2.gz SZUNEJAOPDICQT-NXOAAHMSSA-N 1 3 314.539 2.853 20 0 DFADHO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000293048905 530060012 /nfs/dbraw/zinc/06/00/12/530060012.db2.gz SXTGSAQAGHDRKB-LJQANCHMSA-N 1 3 310.445 2.790 20 0 DFADHO C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000293048905 530060013 /nfs/dbraw/zinc/06/00/13/530060013.db2.gz SXTGSAQAGHDRKB-LJQANCHMSA-N 1 3 310.445 2.790 20 0 DFADHO C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000459464198 299112779 /nfs/dbraw/zinc/11/27/79/299112779.db2.gz IGMPRVZZLMGWCM-HZPDHXFCSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000459466165 299113890 /nfs/dbraw/zinc/11/38/90/299113890.db2.gz OSCLWSOCZSIQLX-CVEARBPZSA-N 1 3 305.510 2.856 20 0 DFADHO CCO[C@@H]1C[C@@H](NCC2(C[NH+](C)C)CCCC2)[C@H]1SC ZINC000459476265 299115938 /nfs/dbraw/zinc/11/59/38/299115938.db2.gz HKJYQMOWUPRFLG-RBSFLKMASA-N 1 3 300.512 2.607 20 0 DFADHO COc1cccc(OCCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090060392 398476934 /nfs/dbraw/zinc/47/69/34/398476934.db2.gz AGINILBBJFPZSS-JKSUJKDBSA-N 1 3 304.434 2.681 20 0 DFADHO COc1cccc(OCCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090060392 398476937 /nfs/dbraw/zinc/47/69/37/398476937.db2.gz AGINILBBJFPZSS-JKSUJKDBSA-N 1 3 304.434 2.681 20 0 DFADHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CCCC[C@H]1O ZINC000364986970 282393304 /nfs/dbraw/zinc/39/33/04/282393304.db2.gz LLQYXADKPPCFLL-QZTJIDSGSA-N 1 3 303.450 2.533 20 0 DFADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CCCC[C@H]1O ZINC000364986970 282393309 /nfs/dbraw/zinc/39/33/09/282393309.db2.gz LLQYXADKPPCFLL-QZTJIDSGSA-N 1 3 303.450 2.533 20 0 DFADHO OCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000279612122 215004741 /nfs/dbraw/zinc/00/47/41/215004741.db2.gz QZGQBOJMUJVGIK-GUDVDZBRSA-N 1 3 302.462 2.649 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272690132 210094879 /nfs/dbraw/zinc/09/48/79/210094879.db2.gz VOWCSDBGUZZXBK-LMMKCTJWSA-N 1 3 303.494 2.827 20 0 DFADHO CC1(C)CCCN1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459557746 299133047 /nfs/dbraw/zinc/13/30/47/299133047.db2.gz DNYZTYJMYMPMRJ-UHFFFAOYSA-N 1 3 302.466 2.514 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000091285135 398524776 /nfs/dbraw/zinc/52/47/76/398524776.db2.gz IESZRXRWWSQGHF-IBGZPJMESA-N 1 3 301.478 2.755 20 0 DFADHO CC(C)[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccnc1 ZINC000091343598 398526072 /nfs/dbraw/zinc/52/60/72/398526072.db2.gz VSSMFIZORVMKQX-APWZRJJASA-N 1 3 317.477 2.869 20 0 DFADHO c1cc(N2CCC([NH2+]C[C@@H]3CCOC4(CCC4)C3)CC2)ccn1 ZINC000459573273 299137880 /nfs/dbraw/zinc/13/78/80/299137880.db2.gz IMFAEJYUZBBIAI-MRXNPFEDSA-N 1 3 315.461 2.989 20 0 DFADHO CCn1nc(CNCC2CC[NH+](CC)CC2)c2ccccc21 ZINC000316453305 398531715 /nfs/dbraw/zinc/53/17/15/398531715.db2.gz QZHLUCUHZFZJJG-UHFFFAOYSA-N 1 3 300.450 2.878 20 0 DFADHO CC[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1C[C@H]1C ZINC000414085400 295765602 /nfs/dbraw/zinc/76/56/02/295765602.db2.gz YLOKTYSHPNYGMS-OLMNPRSZSA-N 1 3 317.477 2.502 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)cc1OC ZINC000320271774 398546596 /nfs/dbraw/zinc/54/65/96/398546596.db2.gz UFJZIWOKKGWGSI-NVXWUHKLSA-N 1 3 320.477 2.955 20 0 DFADHO N[C@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000035323239 398550594 /nfs/dbraw/zinc/55/05/94/398550594.db2.gz YEAUPUGLWQWBBE-HXUWFJFHSA-N 1 3 309.457 2.941 20 0 DFADHO COC(=O)c1ccc(CNCC2CC[NH+](C3CC3)CC2)cc1F ZINC000597119384 398570391 /nfs/dbraw/zinc/57/03/91/398570391.db2.gz UCVOJFKINGNUOH-UHFFFAOYSA-N 1 3 320.408 2.576 20 0 DFADHO [NH3+]Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000071700412 191009473 /nfs/dbraw/zinc/00/94/73/191009473.db2.gz DRQYEVLLWHPNEY-IBGZPJMESA-N 1 3 323.440 2.712 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000174730005 535142949 /nfs/dbraw/zinc/14/29/49/535142949.db2.gz LBZJTEXQWXAEMQ-UHFFFAOYSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cccc(OCCN(C)C)c1 ZINC000188025505 186245541 /nfs/dbraw/zinc/24/55/41/186245541.db2.gz PVHOVTORFXHQLN-MDZRGWNJSA-N 1 3 320.477 2.829 20 0 DFADHO CCN1CCC[C@@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268754008 186379348 /nfs/dbraw/zinc/37/93/48/186379348.db2.gz YVZKTEUGQFDVQA-SXLOBPIMSA-N 1 3 315.505 2.971 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCNC2)cc1O ZINC000414819125 295821501 /nfs/dbraw/zinc/82/15/01/295821501.db2.gz GSNUXLGHHAAOLP-OFQRWUPVSA-N 1 3 306.450 2.700 20 0 DFADHO COc1ccc(Br)c(CNCC[C@@H]2CC[NH2+]C2)c1 ZINC000414825474 295822468 /nfs/dbraw/zinc/82/24/68/295822468.db2.gz CGOKDKAYXIQYFF-NSHDSACASA-N 1 3 313.239 2.547 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414830111 295823284 /nfs/dbraw/zinc/82/32/84/295823284.db2.gz BUWILYFCCYKXQM-CABCVRRESA-N 1 3 305.466 2.972 20 0 DFADHO CCCn1c(CNCC[C@H]2CCC[NH2+]C2)nc2ccccc21 ZINC000414850358 295825921 /nfs/dbraw/zinc/82/59/21/295825921.db2.gz MTVIEZDKYDHNOQ-OAHLLOKOSA-N 1 3 300.450 2.926 20 0 DFADHO Oc1ccc(Br)c(CNCC[C@H]2CCC[NH2+]C2)c1 ZINC000414857020 295827128 /nfs/dbraw/zinc/82/71/28/295827128.db2.gz ZMQGXYFNQUVBJT-LLVKDONJSA-N 1 3 313.239 2.634 20 0 DFADHO [NH3+]CCCCNCc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000414898165 295831974 /nfs/dbraw/zinc/83/19/74/295831974.db2.gz DFDBKDVKEJORIZ-HNNXBMFYSA-N 1 3 312.841 2.726 20 0 DFADHO [NH3+]CCCCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000414913542 295834116 /nfs/dbraw/zinc/83/41/16/295834116.db2.gz WEOORDXNTMSPAR-UHFFFAOYSA-N 1 3 323.238 2.668 20 0 DFADHO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@]1(C)CCCNC1 ZINC000414919318 295835119 /nfs/dbraw/zinc/83/51/19/295835119.db2.gz WRRIEZULWYPDQU-KBXCAEBGSA-N 1 3 304.434 2.716 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CNCCC2(F)F)CC1 ZINC000415000528 295845799 /nfs/dbraw/zinc/84/57/99/295845799.db2.gz LFXFVNOSFIWHKJ-BMFZPTHFSA-N 1 3 315.452 2.616 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2cncc(Br)c2)C1 ZINC000459785734 299192687 /nfs/dbraw/zinc/19/26/87/299192687.db2.gz PCSACMLIODTIRS-GFCCVEGCSA-N 1 3 312.255 2.666 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2cncc(Br)c2)C1 ZINC000459785734 299192689 /nfs/dbraw/zinc/19/26/89/299192689.db2.gz PCSACMLIODTIRS-GFCCVEGCSA-N 1 3 312.255 2.666 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(Br)o2)C1 ZINC000459787747 299193294 /nfs/dbraw/zinc/19/32/94/299193294.db2.gz PXEGGEGECCGBOM-NSHDSACASA-N 1 3 301.228 2.864 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(Br)o2)C1 ZINC000459787747 299193297 /nfs/dbraw/zinc/19/32/97/299193297.db2.gz PXEGGEGECCGBOM-NSHDSACASA-N 1 3 301.228 2.864 20 0 DFADHO C(N[C@H]1CCC[C@@H]2C[C@@H]21)C1(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)COC1 ZINC000459790450 299194304 /nfs/dbraw/zinc/19/43/04/299194304.db2.gz SFTOWHWANKLCTP-ZMSHIADSSA-N 1 3 304.478 2.559 20 0 DFADHO CN(C)c1ncc(CN[C@H](CCC[NH3+])c2ccccc2)s1 ZINC000415047161 295851147 /nfs/dbraw/zinc/85/11/47/295851147.db2.gz DXCOYXSQCGWTNR-OAHLLOKOSA-N 1 3 304.463 2.779 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459794323 299195054 /nfs/dbraw/zinc/19/50/54/299195054.db2.gz UJIVXNOIPUBDPA-CYBMUJFWSA-N 1 3 324.852 2.948 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459794323 299195055 /nfs/dbraw/zinc/19/50/55/299195055.db2.gz UJIVXNOIPUBDPA-CYBMUJFWSA-N 1 3 324.852 2.948 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CO1 ZINC000401870361 398689259 /nfs/dbraw/zinc/68/92/59/398689259.db2.gz BLLUCVAOPBBQTC-VINWQNLFSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC000401870361 398689262 /nfs/dbraw/zinc/68/92/62/398689262.db2.gz BLLUCVAOPBBQTC-VINWQNLFSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC000401870361 398689264 /nfs/dbraw/zinc/68/92/64/398689264.db2.gz BLLUCVAOPBBQTC-VINWQNLFSA-N 1 3 300.446 2.664 20 0 DFADHO COc1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1O ZINC000415072696 295854852 /nfs/dbraw/zinc/85/48/52/295854852.db2.gz YOVLPNQHYBXKFK-MRXNPFEDSA-N 1 3 300.402 2.971 20 0 DFADHO [NH3+]CC1CCC(N[C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000415075953 295855057 /nfs/dbraw/zinc/85/50/57/295855057.db2.gz BVWPJTAVMMYIMM-SSDMNJCBSA-N 1 3 321.852 2.552 20 0 DFADHO Clc1ccccc1N1CCC[C@@H](NC[C@H]2CCC[NH2+]C2)C1 ZINC000415085205 295856152 /nfs/dbraw/zinc/85/61/52/295856152.db2.gz QMQRHZFDBAZUMC-LSDHHAIUSA-N 1 3 307.869 2.898 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000173956162 198272572 /nfs/dbraw/zinc/27/25/72/198272572.db2.gz HVFZLAQMQASNLI-KRWDZBQOSA-N 1 3 303.450 2.821 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1ccccc1 ZINC000173956162 198272574 /nfs/dbraw/zinc/27/25/74/198272574.db2.gz HVFZLAQMQASNLI-KRWDZBQOSA-N 1 3 303.450 2.821 20 0 DFADHO CCN1CCN(c2cccc(NC3CCC([NH3+])CC3)c2)CC1 ZINC000415094666 295857334 /nfs/dbraw/zinc/85/73/34/295857334.db2.gz FIECOLXSPQJEIQ-UHFFFAOYSA-N 1 3 302.466 2.510 20 0 DFADHO CCOc1cccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415102495 295858358 /nfs/dbraw/zinc/85/83/58/295858358.db2.gz CKCHYPAKRSEWEJ-MOPGFXCFSA-N 1 3 318.461 2.804 20 0 DFADHO Cc1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1F ZINC000415111233 295859376 /nfs/dbraw/zinc/85/93/76/295859376.db2.gz QJFJVJPOZLGQMW-QZTJIDSGSA-N 1 3 306.425 2.852 20 0 DFADHO COc1ccc2c(c1)OC[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000415117610 295860178 /nfs/dbraw/zinc/86/01/78/295860178.db2.gz VTDUQVYXABDFMG-LAVFITLUSA-N 1 3 316.445 2.509 20 0 DFADHO COc1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1C ZINC000415127256 295861869 /nfs/dbraw/zinc/86/18/69/295861869.db2.gz QQMNJLYCBQTTRX-MJGOQNOKSA-N 1 3 318.461 2.722 20 0 DFADHO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000174411260 198331562 /nfs/dbraw/zinc/33/15/62/198331562.db2.gz RZLRLITVQLTMQL-QAPCUYQASA-N 1 3 317.477 2.646 20 0 DFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C/C=C/c2ccccc2)CC1 ZINC000415127478 295862163 /nfs/dbraw/zinc/86/21/63/295862163.db2.gz NGRIBSDABMVRMY-PWEOZXLSSA-N 1 3 300.446 2.918 20 0 DFADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000174771388 198382691 /nfs/dbraw/zinc/38/26/91/198382691.db2.gz HUIDGLBZSZIEHC-PBHICJAKSA-N 1 3 304.434 2.635 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000174771388 198382692 /nfs/dbraw/zinc/38/26/92/198382692.db2.gz HUIDGLBZSZIEHC-PBHICJAKSA-N 1 3 304.434 2.635 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000236820233 202024868 /nfs/dbraw/zinc/02/48/68/202024868.db2.gz LCOTZJQWPCKKKE-SFHVURJKSA-N 1 3 317.477 2.575 20 0 DFADHO CNCc1cccc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000415924957 295902803 /nfs/dbraw/zinc/90/28/03/295902803.db2.gz ZHMOUMWIPHQVCB-HNNXBMFYSA-N 1 3 318.465 2.650 20 0 DFADHO C[NH+](C)CC[C@H](NC(=O)Nc1ccc2c(c1)CNC2)C(C)(C)C ZINC000415995743 295910041 /nfs/dbraw/zinc/91/00/41/295910041.db2.gz LELUIWJKJZYMLK-INIZCTEOSA-N 1 3 318.465 2.778 20 0 DFADHO CC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC(C)(C)C ZINC000463372593 299237100 /nfs/dbraw/zinc/23/71/00/299237100.db2.gz SZLHCXHVUBPRTF-QGZVFWFLSA-N 1 3 319.493 2.774 20 0 DFADHO CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC(C)(C)C ZINC000463372593 299237106 /nfs/dbraw/zinc/23/71/06/299237106.db2.gz SZLHCXHVUBPRTF-QGZVFWFLSA-N 1 3 319.493 2.774 20 0 DFADHO CC[NH+]1CCC(CCNC(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000236852212 202037022 /nfs/dbraw/zinc/03/70/22/202037022.db2.gz GRVMVOPYLPFSPE-QAPCUYQASA-N 1 3 317.477 2.561 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000236875958 202047892 /nfs/dbraw/zinc/04/78/92/202047892.db2.gz KEOQLXIXJXUSKX-SFHVURJKSA-N 1 3 303.494 2.797 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)C[C@H](N)c1ccccc1)CC(C)C ZINC000236877866 202048363 /nfs/dbraw/zinc/04/83/63/202048363.db2.gz YMZXUJDFVGSZMY-ROUUACIJSA-N 1 3 319.493 2.949 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000236888078 202055356 /nfs/dbraw/zinc/05/53/56/202055356.db2.gz ZQYPNMLDCGTSTH-YOEHRIQHSA-N 1 3 305.466 2.518 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000236892571 202057258 /nfs/dbraw/zinc/05/72/58/202057258.db2.gz QRLOKGSBZVYCIA-RYRKJORJSA-N 1 3 323.525 2.863 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000236892571 202057261 /nfs/dbraw/zinc/05/72/61/202057261.db2.gz QRLOKGSBZVYCIA-RYRKJORJSA-N 1 3 323.525 2.863 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](N)CC(C)C ZINC000236907495 202065015 /nfs/dbraw/zinc/06/50/15/202065015.db2.gz VUIPFGMWGLIQLP-KRWDZBQOSA-N 1 3 305.466 2.518 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000236940784 202082427 /nfs/dbraw/zinc/08/24/27/202082427.db2.gz ZALVROPWCZQSRI-WMZOPIPTSA-N 1 3 319.493 2.910 20 0 DFADHO C(COC[C@H]1CCCO1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000121000369 398785073 /nfs/dbraw/zinc/78/50/73/398785073.db2.gz WWRIJFAJALJPLL-GOSISDBHSA-N 1 3 310.482 2.569 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000236981678 202106431 /nfs/dbraw/zinc/10/64/31/202106431.db2.gz FWUNJAHZIUKYLW-PBHICJAKSA-N 1 3 303.450 2.637 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000247553573 283209117 /nfs/dbraw/zinc/20/91/17/283209117.db2.gz YZJAWRLVFUQBHU-SJORKVTESA-N 1 3 311.514 2.687 20 0 DFADHO COCCC[NH+]1CCC(NCc2cccc3cc[nH]c32)CC1 ZINC000237204807 202188531 /nfs/dbraw/zinc/18/85/31/202188531.db2.gz VRYYHUCAIZJWTO-UHFFFAOYSA-N 1 3 301.434 2.758 20 0 DFADHO COCCC[NH+]1CCC(NCc2cccc3[nH]ccc32)CC1 ZINC000237204758 202188599 /nfs/dbraw/zinc/18/85/99/202188599.db2.gz CHNQGMIQLIIENI-UHFFFAOYSA-N 1 3 301.434 2.758 20 0 DFADHO CC[C@](C)(O)C[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180164563 199124639 /nfs/dbraw/zinc/12/46/39/199124639.db2.gz RTVHIXHQPCSCDJ-VJANTYMQSA-N 1 3 302.462 2.648 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(OCC2CC2)cc1 ZINC000276633001 213013150 /nfs/dbraw/zinc/01/31/50/213013150.db2.gz OPHQGPBJERHTMU-IBGZPJMESA-N 1 3 320.477 2.922 20 0 DFADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000594938438 398876821 /nfs/dbraw/zinc/87/68/21/398876821.db2.gz WDMFDGKIKWASSB-MWQQHZPXSA-N 1 3 308.466 2.571 20 0 DFADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000594938438 398876825 /nfs/dbraw/zinc/87/68/25/398876825.db2.gz WDMFDGKIKWASSB-MWQQHZPXSA-N 1 3 308.466 2.571 20 0 DFADHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180945288 199232390 /nfs/dbraw/zinc/23/23/90/199232390.db2.gz KHAPVDDTXKETCK-OAHLLOKOSA-N 1 3 307.457 2.845 20 0 DFADHO C[C@@H](CSCCF)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000595016453 398892656 /nfs/dbraw/zinc/89/26/56/398892656.db2.gz ZCHLBYWQNJNWSH-AWEZNQCLSA-N 1 3 311.470 2.979 20 0 DFADHO Cn1cc(CCCN2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000054316867 398896016 /nfs/dbraw/zinc/89/60/16/398896016.db2.gz SSBRGXJJDVQECT-UHFFFAOYSA-N 1 3 318.509 2.941 20 0 DFADHO CCN(CC)CCC[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000142313630 398897740 /nfs/dbraw/zinc/89/77/40/398897740.db2.gz SGHTZDCUESVEFD-GOSISDBHSA-N 1 3 301.478 2.855 20 0 DFADHO CCN(CC)CCC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000142313630 398897744 /nfs/dbraw/zinc/89/77/44/398897744.db2.gz SGHTZDCUESVEFD-GOSISDBHSA-N 1 3 301.478 2.855 20 0 DFADHO c1cc(CCCN[C@H]2CC[N@@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000281015206 216023791 /nfs/dbraw/zinc/02/37/91/216023791.db2.gz YYHAASUFGLLRTI-ZWKOTPCHSA-N 1 3 300.446 2.771 20 0 DFADHO c1cc(CCCN[C@H]2CC[N@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000281015206 216023792 /nfs/dbraw/zinc/02/37/92/216023792.db2.gz YYHAASUFGLLRTI-ZWKOTPCHSA-N 1 3 300.446 2.771 20 0 DFADHO COC(=O)CC1CCC([NH2+]C[C@H](C)CN2CCCCC2)CC1 ZINC000599023133 398909283 /nfs/dbraw/zinc/90/92/83/398909283.db2.gz BTBHCYWLAIESCG-GTPINHCMSA-N 1 3 310.482 2.820 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(F)c1 ZINC000187968020 200184973 /nfs/dbraw/zinc/18/49/73/200184973.db2.gz DCGSJPIRVQFZTO-SFHVURJKSA-N 1 3 307.457 2.894 20 0 DFADHO C[C@]1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCCCN1 ZINC000237606695 202300890 /nfs/dbraw/zinc/30/08/90/202300890.db2.gz WLTJYFAZXJCZEL-LJQANCHMSA-N 1 3 315.461 2.796 20 0 DFADHO C[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCCCN1 ZINC000237619951 202307036 /nfs/dbraw/zinc/30/70/36/202307036.db2.gz WLTJYFAZXJCZEL-IBGZPJMESA-N 1 3 315.461 2.796 20 0 DFADHO CC[C@@H](CO)[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000188667056 200283791 /nfs/dbraw/zinc/28/37/91/200283791.db2.gz JKESBSOVORLJMF-VJANTYMQSA-N 1 3 302.462 2.648 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417316257 296009286 /nfs/dbraw/zinc/00/92/86/296009286.db2.gz UDYBQYLACXZKTG-IXDOHACOSA-N 1 3 321.534 2.857 20 0 DFADHO CN(c1ccccc1C[NH2+][C@H]1CCSC1)C1CCN(C)CC1 ZINC000271958749 209340907 /nfs/dbraw/zinc/34/09/07/209340907.db2.gz TXZQAGMAWXRCLD-INIZCTEOSA-N 1 3 319.518 2.812 20 0 DFADHO Cc1cc(NC(=O)CC[C@@H](C)[NH3+])ccc1OCCN1CCCC1 ZINC000193317244 201028458 /nfs/dbraw/zinc/02/84/58/201028458.db2.gz UBZFTZMOVUPQLH-OAHLLOKOSA-N 1 3 319.449 2.536 20 0 DFADHO CN1C[C@@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@@H]2C1 ZINC000193632993 201092789 /nfs/dbraw/zinc/09/27/89/201092789.db2.gz GUKZKJXOAWDZBC-KDURUIRLSA-N 1 3 323.440 2.654 20 0 DFADHO CN1C[C@@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@@H]2C1 ZINC000193632993 201092793 /nfs/dbraw/zinc/09/27/93/201092793.db2.gz GUKZKJXOAWDZBC-KDURUIRLSA-N 1 3 323.440 2.654 20 0 DFADHO COc1cc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)ccc1C ZINC000194322589 201201908 /nfs/dbraw/zinc/20/19/08/201201908.db2.gz CTOHZWXWKKMBGZ-QGZVFWFLSA-N 1 3 318.461 2.594 20 0 DFADHO CCN1CCN(CCC[NH2+]CC[C@@H](C)c2ccccc2)CC1 ZINC000194551494 201249688 /nfs/dbraw/zinc/24/96/88/201249688.db2.gz LWBPHEZYBUGXII-GOSISDBHSA-N 1 3 303.494 2.797 20 0 DFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(O)c1 ZINC000194872376 201304350 /nfs/dbraw/zinc/30/43/50/201304350.db2.gz RIWOLJXUPCDYAR-XHSDSOJGSA-N 1 3 306.450 2.932 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(CCC)CCN1CCCCC1 ZINC000359723979 283917131 /nfs/dbraw/zinc/91/71/31/283917131.db2.gz URRQQFLUHUCBDR-KRWDZBQOSA-N 1 3 311.514 2.878 20 0 DFADHO CCN(CC)CCC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC000595735069 399061787 /nfs/dbraw/zinc/06/17/87/399061787.db2.gz VKANTFAMCQMWEM-IKGGRYGDSA-N 1 3 310.482 2.772 20 0 DFADHO CCN(CC)CCC[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC000595735069 399061791 /nfs/dbraw/zinc/06/17/91/399061791.db2.gz VKANTFAMCQMWEM-IKGGRYGDSA-N 1 3 310.482 2.772 20 0 DFADHO CC(=O)N1CC[C@H](NCC[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000621763134 399072149 /nfs/dbraw/zinc/07/21/49/399072149.db2.gz RCPBCIRROHTVKG-WMZOPIPTSA-N 1 3 315.461 2.806 20 0 DFADHO CC(=O)N1CC[C@H](NCC[C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000621763134 399072154 /nfs/dbraw/zinc/07/21/54/399072154.db2.gz RCPBCIRROHTVKG-WMZOPIPTSA-N 1 3 315.461 2.806 20 0 DFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000479471157 299378268 /nfs/dbraw/zinc/37/82/68/299378268.db2.gz CVMLMMXXGVWFBX-HNNXBMFYSA-N 1 3 317.477 2.551 20 0 DFADHO CC[C@H](C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)OC ZINC000419218959 296128555 /nfs/dbraw/zinc/12/85/55/296128555.db2.gz SIGDXRYYBBXIHQ-SOLBZPMBSA-N 1 3 312.498 2.623 20 0 DFADHO c1ccc(CN2C[C@@H]3C[N@H+](CCOCC4CCC4)C[C@@H]3C2)cc1 ZINC000419294541 296132558 /nfs/dbraw/zinc/13/25/58/296132558.db2.gz PBQOGZDVORIOKE-BGYRXZFFSA-N 1 3 314.473 2.867 20 0 DFADHO c1ccc(CN2C[C@@H]3C[N@@H+](CCOCC4CCC4)C[C@@H]3C2)cc1 ZINC000419294541 296132559 /nfs/dbraw/zinc/13/25/59/296132559.db2.gz PBQOGZDVORIOKE-BGYRXZFFSA-N 1 3 314.473 2.867 20 0 DFADHO CCN(CC)[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000261713348 203100373 /nfs/dbraw/zinc/10/03/73/203100373.db2.gz LGSKEMJQGFQKIH-SJLPKXTDSA-N 1 3 317.477 2.575 20 0 DFADHO N[C@H](CC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000261713396 203100649 /nfs/dbraw/zinc/10/06/49/203100649.db2.gz LIENFFURFPLFHP-GOSISDBHSA-N 1 3 315.461 2.553 20 0 DFADHO C[C@H]1C[N@@H+](CC2(CN3C[C@@H](C)[C@@H](C)[C@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375249 296137483 /nfs/dbraw/zinc/13/74/83/296137483.db2.gz RGBJFOGAWHUZMQ-COYYTBTLSA-N 1 3 308.510 2.956 20 0 DFADHO C[C@H]1C[N@H+](CC2(CN3C[C@@H](C)[C@@H](C)[C@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375249 296137485 /nfs/dbraw/zinc/13/74/85/296137485.db2.gz RGBJFOGAWHUZMQ-COYYTBTLSA-N 1 3 308.510 2.956 20 0 DFADHO C[C@H]1CN(CC2(C[N@@H+]3C[C@@H](C)[C@@H](C)[C@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375249 296137486 /nfs/dbraw/zinc/13/74/86/296137486.db2.gz RGBJFOGAWHUZMQ-COYYTBTLSA-N 1 3 308.510 2.956 20 0 DFADHO C[C@H]1CN(CC2(C[N@H+]3C[C@@H](C)[C@@H](C)[C@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375249 296137487 /nfs/dbraw/zinc/13/74/87/296137487.db2.gz RGBJFOGAWHUZMQ-COYYTBTLSA-N 1 3 308.510 2.956 20 0 DFADHO CCC[C@@](C)(N)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000262125854 203205343 /nfs/dbraw/zinc/20/53/43/203205343.db2.gz LJYFUZFZOJYLLJ-GOSISDBHSA-N 1 3 305.466 2.662 20 0 DFADHO C[C@H](CSc1nnc(SC[C@@H](C)[NH+](C)C)s1)N(C)C ZINC000060202133 399118572 /nfs/dbraw/zinc/11/85/72/399118572.db2.gz LRMVAUQUAOINLV-NXEZZACHSA-N 1 3 320.553 2.623 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)C1 ZINC000262676472 203377773 /nfs/dbraw/zinc/37/77/73/203377773.db2.gz SGGNMIWEAQJSHN-RYRKJORJSA-N 1 3 317.477 2.513 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000262681457 203379576 /nfs/dbraw/zinc/37/95/76/203379576.db2.gz XMZQTLRIQHYXSU-KBAYOESNSA-N 1 3 317.477 2.703 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000262681457 203379579 /nfs/dbraw/zinc/37/95/79/203379579.db2.gz XMZQTLRIQHYXSU-KBAYOESNSA-N 1 3 317.477 2.703 20 0 DFADHO C[N@@H+]1CC[C@@H](NCCC(=O)NC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340293696 284169074 /nfs/dbraw/zinc/16/90/74/284169074.db2.gz UQKFAGJHGUGBHV-SJORKVTESA-N 1 3 317.477 2.716 20 0 DFADHO C[N@H+]1CC[C@@H](NCCC(=O)NC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340293696 284169078 /nfs/dbraw/zinc/16/90/78/284169078.db2.gz UQKFAGJHGUGBHV-SJORKVTESA-N 1 3 317.477 2.716 20 0 DFADHO CCc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000093735033 193299036 /nfs/dbraw/zinc/29/90/36/193299036.db2.gz OPIWGWQZCHPQKT-UHFFFAOYSA-N 1 3 306.450 2.919 20 0 DFADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000419907439 296151117 /nfs/dbraw/zinc/15/11/17/296151117.db2.gz FXZIIEIHPASWAP-UHFFFAOYSA-N 1 3 317.477 2.790 20 0 DFADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](Cn2cccn2)C(C)C)C1 ZINC000340523629 284187941 /nfs/dbraw/zinc/18/79/41/284187941.db2.gz GZPQPGFFXVLUCS-ZWKOTPCHSA-N 1 3 306.498 2.865 20 0 DFADHO CCOc1cc2nccc(NC[C@@H]([NH3+])C3CC3)c2cc1OCC ZINC000420217547 296163214 /nfs/dbraw/zinc/16/32/14/296163214.db2.gz JOFGPIIIGGELIP-CQSZACIVSA-N 1 3 315.417 2.603 20 0 DFADHO COc1cccc(C[C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000341194245 284247481 /nfs/dbraw/zinc/24/74/81/284247481.db2.gz SBJUDQJYZJYJNL-ZDUSSCGKSA-N 1 3 305.466 2.920 20 0 DFADHO COc1cccc(C[C@H](C)[NH2+]C2CC(C)(C)NC(C)(C)C2)n1 ZINC000341194245 284247483 /nfs/dbraw/zinc/24/74/83/284247483.db2.gz SBJUDQJYZJYJNL-ZDUSSCGKSA-N 1 3 305.466 2.920 20 0 DFADHO Cc1cc(N2C[C@H](C)[C@H]([NH3+])C2)c2cc(OC(F)F)ccc2n1 ZINC000420278059 296168467 /nfs/dbraw/zinc/16/84/67/296168467.db2.gz NSESHMDCVVZBGP-TVQRCGJNSA-N 1 3 307.344 2.928 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCCN(C)CC)cc1 ZINC000264869204 204224403 /nfs/dbraw/zinc/22/44/03/204224403.db2.gz GKGGZFOBNKDIGO-UHFFFAOYSA-N 1 3 305.466 2.600 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCN(C)CC)cc1 ZINC000264869204 204224407 /nfs/dbraw/zinc/22/44/07/204224407.db2.gz GKGGZFOBNKDIGO-UHFFFAOYSA-N 1 3 305.466 2.600 20 0 DFADHO CCCN(CC[C@@H]1CC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000420293835 296170491 /nfs/dbraw/zinc/17/04/91/296170491.db2.gz ANYBLMDCZVIABX-CVEARBPZSA-N 1 3 303.450 2.725 20 0 DFADHO CC(C)N(CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(F)cc1 ZINC000420299407 296171413 /nfs/dbraw/zinc/17/14/13/296171413.db2.gz GLIPKRLJMBAFQU-HNNXBMFYSA-N 1 3 321.440 2.864 20 0 DFADHO COc1ccc([C@H](C[NH3+])CN2CCC(OCC(C)C)CC2)cc1 ZINC000420315277 296173659 /nfs/dbraw/zinc/17/36/59/296173659.db2.gz LLPQDRCWBJMLTQ-QGZVFWFLSA-N 1 3 320.477 2.875 20 0 DFADHO COc1ccc([C@H](CN)C[NH+]2CCC(OCC(C)C)CC2)cc1 ZINC000420315277 296173660 /nfs/dbraw/zinc/17/36/60/296173660.db2.gz LLPQDRCWBJMLTQ-QGZVFWFLSA-N 1 3 320.477 2.875 20 0 DFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1C[C@H](O)C(C)(C)C1 ZINC000448370162 297338488 /nfs/dbraw/zinc/33/84/88/297338488.db2.gz GDWKKPQUCSIPGZ-KRWDZBQOSA-N 1 3 304.478 2.847 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1C[C@H](O)C(C)(C)C1 ZINC000448370162 297338490 /nfs/dbraw/zinc/33/84/90/297338490.db2.gz GDWKKPQUCSIPGZ-KRWDZBQOSA-N 1 3 304.478 2.847 20 0 DFADHO COC(=O)c1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c(C)s1 ZINC000420316297 296174047 /nfs/dbraw/zinc/17/40/47/296174047.db2.gz NEZHLBPHNRUUGI-CQSZACIVSA-N 1 3 322.474 2.665 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C(C)C ZINC000341906928 284287650 /nfs/dbraw/zinc/28/76/50/284287650.db2.gz YOLYSGYQVQUKJK-SFHVURJKSA-N 1 3 304.482 2.618 20 0 DFADHO C[C@H](c1ccc(F)cc1F)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420324888 296175252 /nfs/dbraw/zinc/17/52/52/296175252.db2.gz VPNSRQOVRUIKML-HUUCEWRRSA-N 1 3 323.431 2.643 20 0 DFADHO C[C@H](c1ccc(F)cc1F)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420324886 296175284 /nfs/dbraw/zinc/17/52/84/296175284.db2.gz VPNSRQOVRUIKML-CABCVRRESA-N 1 3 323.431 2.643 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000420326898 296175695 /nfs/dbraw/zinc/17/56/95/296175695.db2.gz FJEOLGVEDRZQSF-SQNIBIBYSA-N 1 3 304.409 2.641 20 0 DFADHO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420325865 296175744 /nfs/dbraw/zinc/17/57/44/296175744.db2.gz WWTAPBUONHZRDC-UXPWSPDFSA-N 1 3 312.457 2.919 20 0 DFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420325865 296175745 /nfs/dbraw/zinc/17/57/45/296175745.db2.gz WWTAPBUONHZRDC-UXPWSPDFSA-N 1 3 312.457 2.919 20 0 DFADHO [NH3+]C[C@@H](NCCC(=O)Nc1ccc(F)cc1)C1CCCCC1 ZINC000420357490 296179716 /nfs/dbraw/zinc/17/97/16/296179716.db2.gz DQPJQURYJFHIBU-MRXNPFEDSA-N 1 3 307.413 2.652 20 0 DFADHO CN(C)[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000297605075 227358044 /nfs/dbraw/zinc/35/80/44/227358044.db2.gz KFMAEEAAXPUERT-FQEVSTJZSA-N 1 3 324.472 2.943 20 0 DFADHO Cn1c(CCN[C@@H](C[NH3+])C2CCCCC2)nc2ccccc21 ZINC000420371333 296182022 /nfs/dbraw/zinc/18/20/22/296182022.db2.gz PIBSOUSIXZXEKJ-INIZCTEOSA-N 1 3 300.450 2.613 20 0 DFADHO CCc1cccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420374634 296182230 /nfs/dbraw/zinc/18/22/30/296182230.db2.gz HQKQIPCPGTZUCT-OALUTQOASA-N 1 3 302.462 2.967 20 0 DFADHO COc1cccc([C@H](C)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420374996 296182364 /nfs/dbraw/zinc/18/23/64/296182364.db2.gz IFMCCRJPGYYYFE-KYNGSXCRSA-N 1 3 318.461 2.975 20 0 DFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCCCC(F)(F)F)CC1 ZINC000420379268 296183233 /nfs/dbraw/zinc/18/32/33/296183233.db2.gz MZBKZQKVSZIRGW-UONOGXRCSA-N 1 3 308.388 2.937 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282681547 217171775 /nfs/dbraw/zinc/17/17/75/217171775.db2.gz AAKOTQJMVYSWCL-IHPCNDPISA-N 1 3 315.505 2.796 20 0 DFADHO [NH3+]C1(CNCCCOc2cccc(C(F)(F)F)c2)CCC1 ZINC000342090817 284324633 /nfs/dbraw/zinc/32/46/33/284324633.db2.gz BZFJBHXEGSHQON-UHFFFAOYSA-N 1 3 302.340 2.945 20 0 DFADHO c1ccc(OCCOCCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420401705 296186438 /nfs/dbraw/zinc/18/64/38/296186438.db2.gz PRNVKJINXSQVRW-MJGOQNOKSA-N 1 3 318.461 2.546 20 0 DFADHO Cc1cc(C)n(-c2ccc(CN3CC[C@H](C)[C@@H](C[NH3+])C3)cc2)n1 ZINC000420417297 296188007 /nfs/dbraw/zinc/18/80/07/296188007.db2.gz WHZCLHABHWWSJO-KSSFIOAISA-N 1 3 312.461 2.906 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000282763395 217233840 /nfs/dbraw/zinc/23/38/40/217233840.db2.gz OKCPPZHNPGGQHX-ZWKOTPCHSA-N 1 3 300.446 2.676 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@H]1CC1(C)C ZINC000487309648 299457520 /nfs/dbraw/zinc/45/75/20/299457520.db2.gz LEQCDIDLTBMSPM-WMLDXEAASA-N 1 3 317.477 2.502 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000267545900 206137179 /nfs/dbraw/zinc/13/71/79/206137179.db2.gz BLCKTJUHIJCRCQ-VQIMIIECSA-N 1 3 301.478 2.723 20 0 DFADHO O[C@]1(Cc2ccc(F)cc2)CC[N@H+](CCCN2CCCCC2)C1 ZINC000421026272 296228006 /nfs/dbraw/zinc/22/80/06/296228006.db2.gz UCQVYCULIXACFB-IBGZPJMESA-N 1 3 320.452 2.681 20 0 DFADHO O[C@]1(Cc2ccc(F)cc2)CC[N@@H+](CCCN2CCCCC2)C1 ZINC000421026272 296228008 /nfs/dbraw/zinc/22/80/08/296228008.db2.gz UCQVYCULIXACFB-IBGZPJMESA-N 1 3 320.452 2.681 20 0 DFADHO CN(CCC1OCCCO1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000267920877 206339846 /nfs/dbraw/zinc/33/98/46/206339846.db2.gz IYOJCNMATAQNND-SFHVURJKSA-N 1 3 318.461 2.593 20 0 DFADHO CN(CCC1OCCCO1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000267920877 206339848 /nfs/dbraw/zinc/33/98/48/206339848.db2.gz IYOJCNMATAQNND-SFHVURJKSA-N 1 3 318.461 2.593 20 0 DFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000618989179 399272994 /nfs/dbraw/zinc/27/29/94/399272994.db2.gz KLZZKWGEJDZNKN-MRXNPFEDSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)c1ncc(CNCC2(O)CC[NH+](C(C)C)CC2)s1 ZINC000344626824 284659214 /nfs/dbraw/zinc/65/92/14/284659214.db2.gz DCWRULQLZYFJAF-UHFFFAOYSA-N 1 3 311.495 2.591 20 0 DFADHO Cc1nc2ccc(C[NH2+]CCCN(C)CCN(C)C)cc2s1 ZINC000623087846 399324690 /nfs/dbraw/zinc/32/46/90/399324690.db2.gz LECSTRZGULTPGD-UHFFFAOYSA-N 1 3 320.506 2.578 20 0 DFADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000344749450 284680172 /nfs/dbraw/zinc/68/01/72/284680172.db2.gz NYEIFZUSBBXRNM-ROUUACIJSA-N 1 3 302.462 2.677 20 0 DFADHO Cn1cccc1CNCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284184955 217920257 /nfs/dbraw/zinc/92/02/57/217920257.db2.gz XWUBWKKJSXMOJX-UHFFFAOYSA-N 1 3 313.445 2.788 20 0 DFADHO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284510685 218059200 /nfs/dbraw/zinc/05/92/00/218059200.db2.gz YJFOWWAUCDFKOH-GJZGRUSLSA-N 1 3 306.450 2.673 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)N(C)C)c1 ZINC000623335878 399364855 /nfs/dbraw/zinc/36/48/55/399364855.db2.gz JUWMJCOSLPKFGR-AEFFLSMTSA-N 1 3 319.493 2.760 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)N(C)C)c1 ZINC000623335878 399364856 /nfs/dbraw/zinc/36/48/56/399364856.db2.gz JUWMJCOSLPKFGR-AEFFLSMTSA-N 1 3 319.493 2.760 20 0 DFADHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)N(C)C)c1 ZINC000623335878 399364860 /nfs/dbraw/zinc/36/48/60/399364860.db2.gz JUWMJCOSLPKFGR-AEFFLSMTSA-N 1 3 319.493 2.760 20 0 DFADHO CC[C@@H](C(=O)NC[C@H](c1ccc(C)cc1)N(C)C)[NH+](CC)CC ZINC000345815554 284760434 /nfs/dbraw/zinc/76/04/34/284760434.db2.gz WHBALRDGNKQADL-ZWKOTPCHSA-N 1 3 319.493 2.834 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCNCC(C)(C)C2)C[C@@H]1C ZINC000601974821 399372415 /nfs/dbraw/zinc/37/24/15/399372415.db2.gz VVBQIMMIFRZMOB-YHUYYLMFSA-N 1 3 310.482 2.722 20 0 DFADHO CN(C)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363185 399372848 /nfs/dbraw/zinc/37/28/48/399372848.db2.gz FBEAKYVIFVHKHT-DLBZAZTESA-N 1 3 307.457 2.891 20 0 DFADHO CN(C)[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363185 399372849 /nfs/dbraw/zinc/37/28/49/399372849.db2.gz FBEAKYVIFVHKHT-DLBZAZTESA-N 1 3 307.457 2.891 20 0 DFADHO CN(C)[C@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363185 399372854 /nfs/dbraw/zinc/37/28/54/399372854.db2.gz FBEAKYVIFVHKHT-DLBZAZTESA-N 1 3 307.457 2.891 20 0 DFADHO COc1ccc(OC)c(CCN[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623379566 399376337 /nfs/dbraw/zinc/37/63/37/399376337.db2.gz YGPALQSYVQBJFK-HNNXBMFYSA-N 1 3 306.450 2.709 20 0 DFADHO COc1ccc(OC)c(CCN[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623379566 399376340 /nfs/dbraw/zinc/37/63/40/399376340.db2.gz YGPALQSYVQBJFK-HNNXBMFYSA-N 1 3 306.450 2.709 20 0 DFADHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccccc2Cl)CC1 ZINC000106126867 194187913 /nfs/dbraw/zinc/18/79/13/194187913.db2.gz NMXSUTWUQSGDJP-CQSZACIVSA-N 1 3 310.869 2.865 20 0 DFADHO COc1cccc(N2CC[C@H](N[C@@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000623399223 399380410 /nfs/dbraw/zinc/38/04/10/399380410.db2.gz BRGNQXDYPKMQLG-CVEARBPZSA-N 1 3 317.477 2.736 20 0 DFADHO COc1cccc(N2CC[C@H](N[C@@H]3CC[N@@H+](C)C(C)(C)C3)C2)c1 ZINC000623399223 399380414 /nfs/dbraw/zinc/38/04/14/399380414.db2.gz BRGNQXDYPKMQLG-CVEARBPZSA-N 1 3 317.477 2.736 20 0 DFADHO CC(C)Cc1ccc(CN(CCO)C2CC[NH+](C)CC2)cc1 ZINC000106388258 194206850 /nfs/dbraw/zinc/20/68/50/194206850.db2.gz HDQTXVIXVVJCPH-UHFFFAOYSA-N 1 3 304.478 2.774 20 0 DFADHO C[C@@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413427 399383329 /nfs/dbraw/zinc/38/33/29/399383329.db2.gz VKAGJFVRKYBMON-WMZOPIPTSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413427 399383332 /nfs/dbraw/zinc/38/33/32/399383332.db2.gz VKAGJFVRKYBMON-WMZOPIPTSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413427 399383335 /nfs/dbraw/zinc/38/33/35/399383335.db2.gz VKAGJFVRKYBMON-WMZOPIPTSA-N 1 3 303.494 2.969 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)ccc1F ZINC000623421087 399385807 /nfs/dbraw/zinc/38/58/07/399385807.db2.gz ZJDYUINYAVQHCX-MRXNPFEDSA-N 1 3 307.457 2.850 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)ccc1F ZINC000623421087 399385812 /nfs/dbraw/zinc/38/58/12/399385812.db2.gz ZJDYUINYAVQHCX-MRXNPFEDSA-N 1 3 307.457 2.850 20 0 DFADHO CN(C)Cc1cc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)ccc1F ZINC000623421087 399385815 /nfs/dbraw/zinc/38/58/15/399385815.db2.gz ZJDYUINYAVQHCX-MRXNPFEDSA-N 1 3 307.457 2.850 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623432145 399388327 /nfs/dbraw/zinc/38/83/27/399388327.db2.gz GIRLRNJVUNTHNT-CABCVRRESA-N 1 3 306.450 2.925 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623432145 399388329 /nfs/dbraw/zinc/38/83/29/399388329.db2.gz GIRLRNJVUNTHNT-CABCVRRESA-N 1 3 306.450 2.925 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(Cl)c(OC)c1 ZINC000623442947 399390937 /nfs/dbraw/zinc/39/09/37/399390937.db2.gz IAPKBYQCKANPFH-AWEZNQCLSA-N 1 3 314.857 2.795 20 0 DFADHO COc1ccccc1N1CC[C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623445404 399391857 /nfs/dbraw/zinc/39/18/57/399391857.db2.gz PPXYHXINLSPIIZ-JKSUJKDBSA-N 1 3 317.477 2.736 20 0 DFADHO COc1ccccc1N1CC[C@@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623445404 399391859 /nfs/dbraw/zinc/39/18/59/399391859.db2.gz PPXYHXINLSPIIZ-JKSUJKDBSA-N 1 3 317.477 2.736 20 0 DFADHO CCCN1CCC([N@H+](C)CCOc2ccccc2OC)CC1 ZINC000109786514 194284643 /nfs/dbraw/zinc/28/46/43/194284643.db2.gz OIIJYAVCHDAJOR-UHFFFAOYSA-N 1 3 306.450 2.880 20 0 DFADHO CCCN1CCC([N@@H+](C)CCOc2ccccc2OC)CC1 ZINC000109786514 194284645 /nfs/dbraw/zinc/28/46/45/194284645.db2.gz OIIJYAVCHDAJOR-UHFFFAOYSA-N 1 3 306.450 2.880 20 0 DFADHO COc1ccccc1N1CC[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623445402 399392086 /nfs/dbraw/zinc/39/20/86/399392086.db2.gz PPXYHXINLSPIIZ-HOTGVXAUSA-N 1 3 317.477 2.736 20 0 DFADHO COc1ccccc1N1CC[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623445402 399392090 /nfs/dbraw/zinc/39/20/90/399392090.db2.gz PPXYHXINLSPIIZ-HOTGVXAUSA-N 1 3 317.477 2.736 20 0 DFADHO [NH3+]C1CCC(NCc2cc(Br)ccc2F)CC1 ZINC000051693511 183834265 /nfs/dbraw/zinc/83/42/65/183834265.db2.gz YTWDIQNWIIVFAK-UHFFFAOYSA-N 1 3 301.203 2.948 20 0 DFADHO C[C@@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)N(C)C1CC1 ZINC000268835008 207001142 /nfs/dbraw/zinc/00/11/42/207001142.db2.gz AWJVHINBUGDYNN-UWVAXJGDSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@@H]1C[C@H](C)[N@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1CN ZINC000422560992 296312602 /nfs/dbraw/zinc/31/26/02/296312602.db2.gz IIFVOGOPFNIHRP-VKJFTORMSA-N 1 3 302.462 2.859 20 0 DFADHO C[C@@H]1C[C@H](C)[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1CN ZINC000422560992 296312603 /nfs/dbraw/zinc/31/26/03/296312603.db2.gz IIFVOGOPFNIHRP-VKJFTORMSA-N 1 3 302.462 2.859 20 0 DFADHO CC(C)Oc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000268837609 207003370 /nfs/dbraw/zinc/00/33/70/207003370.db2.gz MFTFVGBMQRBIQS-INIZCTEOSA-N 1 3 320.477 2.971 20 0 DFADHO C[C@@H]1C[C@H](C)N(CCCc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000422560992 296312605 /nfs/dbraw/zinc/31/26/05/296312605.db2.gz IIFVOGOPFNIHRP-VKJFTORMSA-N 1 3 302.462 2.859 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623493626 399401163 /nfs/dbraw/zinc/40/11/63/399401163.db2.gz LWLRJFCVDHNIGW-NEWSRXKRSA-N 1 3 315.505 2.969 20 0 DFADHO CC[C@@H](CCO)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000268898150 207066503 /nfs/dbraw/zinc/06/65/03/207066503.db2.gz BBYQWMDZCYEUFM-CVEARBPZSA-N 1 3 308.466 2.686 20 0 DFADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000422625044 296316467 /nfs/dbraw/zinc/31/64/67/296316467.db2.gz AKGJGJGMTNNTLF-RDBSUJKOSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1CN ZINC000422625044 296316468 /nfs/dbraw/zinc/31/64/68/296316468.db2.gz AKGJGJGMTNNTLF-RDBSUJKOSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1CN ZINC000422625044 296316469 /nfs/dbraw/zinc/31/64/69/296316469.db2.gz AKGJGJGMTNNTLF-RDBSUJKOSA-N 1 3 323.868 2.974 20 0 DFADHO CN(C)c1c(CNCC2CC[NH+](C3CC3)CC2)ccc(F)c1F ZINC000623509324 399404945 /nfs/dbraw/zinc/40/49/45/399404945.db2.gz ZEZODIOVTLZLCM-UHFFFAOYSA-N 1 3 323.431 2.995 20 0 DFADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000422708394 296319529 /nfs/dbraw/zinc/31/95/29/296319529.db2.gz BYGHLSFKSXDERP-ZWKOTPCHSA-N 1 3 315.461 2.559 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000422708391 296319486 /nfs/dbraw/zinc/31/94/86/296319486.db2.gz BYGHLSFKSXDERP-MSOLQXFVSA-N 1 3 315.461 2.559 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)N1CCc2ccccc21 ZINC000422710229 296319876 /nfs/dbraw/zinc/31/98/76/296319876.db2.gz FJLXTPPUFHWKJJ-HUUCEWRRSA-N 1 3 324.472 2.951 20 0 DFADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CN)N1CCc2ccccc2C1 ZINC000422709963 296319957 /nfs/dbraw/zinc/31/99/57/296319957.db2.gz ZZWWFQKFKNOPRR-SJLPKXTDSA-N 1 3 301.478 2.540 20 0 DFADHO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000422712119 296320014 /nfs/dbraw/zinc/32/00/14/296320014.db2.gz GKJQXBDLMCXRJC-NVXWUHKLSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000623563631 399417159 /nfs/dbraw/zinc/41/71/59/399417159.db2.gz FFKFCFCJEDZTPX-DPZWOIPNSA-N 1 3 314.473 2.777 20 0 DFADHO C[C@H]([NH2+]CCc1ccncc1)c1cccc(OCCN(C)C)c1 ZINC000268990269 207147170 /nfs/dbraw/zinc/14/71/70/207147170.db2.gz GANROHINZBUCRJ-INIZCTEOSA-N 1 3 313.445 2.915 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422727819 296322441 /nfs/dbraw/zinc/32/24/41/296322441.db2.gz HZBSUTNMYXAPQI-NCXUSEDFSA-N 1 3 319.468 2.939 20 0 DFADHO Clc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422727391 296322469 /nfs/dbraw/zinc/32/24/69/296322469.db2.gz CFQFPSAUQQXJRR-IXDOHACOSA-N 1 3 308.853 2.629 20 0 DFADHO C[C@H](NC[C@H](c1ccccc1)N1CCC(C)CC1)C1C[NH2+]C1 ZINC000422730428 296322804 /nfs/dbraw/zinc/32/28/04/296322804.db2.gz DXSASQVKVVUYLZ-QFBILLFUSA-N 1 3 301.478 2.657 20 0 DFADHO CN1CC[C@@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575125 399419621 /nfs/dbraw/zinc/41/96/21/399419621.db2.gz LWIMYICMMWPZKO-MSOLQXFVSA-N 1 3 301.478 2.723 20 0 DFADHO C[N@@H+]1CC[C@@H](NC[C@@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575125 399419622 /nfs/dbraw/zinc/41/96/22/399419622.db2.gz LWIMYICMMWPZKO-MSOLQXFVSA-N 1 3 301.478 2.723 20 0 DFADHO C[N@H+]1CC[C@@H](NC[C@@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575125 399419624 /nfs/dbraw/zinc/41/96/24/399419624.db2.gz LWIMYICMMWPZKO-MSOLQXFVSA-N 1 3 301.478 2.723 20 0 DFADHO c1cc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000422730911 296323254 /nfs/dbraw/zinc/32/32/54/296323254.db2.gz MTOCXISTDYEZSX-KZNAEPCWSA-N 1 3 300.446 2.674 20 0 DFADHO COC(=O)c1cc(CNCCCC[N@H+]2CCCC[C@@H]2C)[nH]c1C ZINC000602513717 399465356 /nfs/dbraw/zinc/46/53/56/399465356.db2.gz HAHIZOQMCYUUJA-AWEZNQCLSA-N 1 3 321.465 2.854 20 0 DFADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCCC[C@@H]2C)[nH]c1C ZINC000602513717 399465354 /nfs/dbraw/zinc/46/53/54/399465354.db2.gz HAHIZOQMCYUUJA-AWEZNQCLSA-N 1 3 321.465 2.854 20 0 DFADHO C[C@@H](NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000422737588 296323993 /nfs/dbraw/zinc/32/39/93/296323993.db2.gz ZXKTZIGTATWQIH-QRQLOZEOSA-N 1 3 301.478 2.944 20 0 DFADHO OCc1cccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422743145 296324868 /nfs/dbraw/zinc/32/48/68/296324868.db2.gz QZAFIRPKIVHYQR-ICSRJNTNSA-N 1 3 324.424 2.524 20 0 DFADHO COc1cccc([C@H](CN[C@H]2CCC[NH2+]CC2)N2CCCC2)c1 ZINC000422752741 296326817 /nfs/dbraw/zinc/32/68/17/296326817.db2.gz FIEFGXWSQPXJOE-HKUYNNGSSA-N 1 3 317.477 2.564 20 0 DFADHO COc1cccc([C@@H](CN[C@H]2CCC[NH2+]CC2)N2CCCC2)c1 ZINC000422752744 296326841 /nfs/dbraw/zinc/32/68/41/296326841.db2.gz FIEFGXWSQPXJOE-PKOBYXMFSA-N 1 3 317.477 2.564 20 0 DFADHO CCOc1cc(CCC[NH2+][C@H]2CCCNCC2)ccc1OC ZINC000422751637 296326432 /nfs/dbraw/zinc/32/64/32/296326432.db2.gz GGGAURPRRQLWAQ-INIZCTEOSA-N 1 3 306.450 2.758 20 0 DFADHO CCOc1cc(CCCN[C@H]2CCC[NH2+]CC2)ccc1OC ZINC000422751637 296326433 /nfs/dbraw/zinc/32/64/33/296326433.db2.gz GGGAURPRRQLWAQ-INIZCTEOSA-N 1 3 306.450 2.758 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]1NCCCc1ccc(Br)cc1F ZINC000422751209 296326469 /nfs/dbraw/zinc/32/64/69/296326469.db2.gz AXZJDRQSPCFOON-KGLIPLIRSA-N 1 3 315.230 2.990 20 0 DFADHO O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000422758712 296327920 /nfs/dbraw/zinc/32/79/20/296327920.db2.gz OFGMXSOYUHYSRT-OKZBNKHCSA-N 1 3 321.509 2.680 20 0 DFADHO O=C1CCCCCN1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422758712 296327921 /nfs/dbraw/zinc/32/79/21/296327921.db2.gz OFGMXSOYUHYSRT-OKZBNKHCSA-N 1 3 321.509 2.680 20 0 DFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCCOC1CCCC1 ZINC000422759841 296327955 /nfs/dbraw/zinc/32/79/55/296327955.db2.gz KGAYYQYPACQDLS-IEBWSBKVSA-N 1 3 316.445 2.791 20 0 DFADHO COc1ccc([C@H](CN[C@H]2CCC[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000422767149 296329712 /nfs/dbraw/zinc/32/97/12/296329712.db2.gz YEOXJIRJTLCSJO-WDSOQIARSA-N 1 3 317.477 2.549 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(c2cccc(C)n2)CC1)[C@H]1CCCCN1 ZINC000422764755 296329240 /nfs/dbraw/zinc/32/92/40/296329240.db2.gz QFMXKJFBLGZBHB-QZTJIDSGSA-N 1 3 316.493 2.869 20 0 DFADHO CC[C@@H](NC1CCN(c2cccc(C)n2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422764755 296329241 /nfs/dbraw/zinc/32/92/41/296329241.db2.gz QFMXKJFBLGZBHB-QZTJIDSGSA-N 1 3 316.493 2.869 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@H]1CCCCO1 ZINC000623866361 399482763 /nfs/dbraw/zinc/48/27/63/399482763.db2.gz SKQORIDIGRNRCS-CRAIPNDOSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@@H]1CCCCO1 ZINC000623866260 399482950 /nfs/dbraw/zinc/48/29/50/399482950.db2.gz PZQKDIKITHCUSX-QAPCUYQASA-N 1 3 306.450 2.674 20 0 DFADHO Brc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422763796 296329442 /nfs/dbraw/zinc/32/94/42/296329442.db2.gz PMPDZCYRPJCXBS-YIONKMFJSA-N 1 3 309.251 2.864 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000422770068 296330339 /nfs/dbraw/zinc/33/03/39/296330339.db2.gz WIQKQDUPXPFREY-IUODEOHRSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccc(Br)cc1 ZINC000422770068 296330340 /nfs/dbraw/zinc/33/03/40/296330340.db2.gz WIQKQDUPXPFREY-IUODEOHRSA-N 1 3 311.267 2.969 20 0 DFADHO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422785210 296332163 /nfs/dbraw/zinc/33/21/63/296332163.db2.gz MWYSPXFKJYHZNZ-ZDUSSCGKSA-N 1 3 323.444 2.858 20 0 DFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Cc1cccs1 ZINC000422786809 296332787 /nfs/dbraw/zinc/33/27/87/296332787.db2.gz SVFAQBVHWNPXSJ-RKTXRCNFSA-N 1 3 308.491 2.673 20 0 DFADHO CCOC(=O)[C@](C)(CN[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000602629748 399496284 /nfs/dbraw/zinc/49/62/84/399496284.db2.gz JFZOUASKDOWEMU-VDZJLULYSA-N 1 3 318.461 2.580 20 0 DFADHO CCOC(=O)[C@](C)(CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000602629748 399496287 /nfs/dbraw/zinc/49/62/87/399496287.db2.gz JFZOUASKDOWEMU-VDZJLULYSA-N 1 3 318.461 2.580 20 0 DFADHO COc1ccc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422791499 296333832 /nfs/dbraw/zinc/33/38/32/296333832.db2.gz QGJGMLLCQZHODT-CEXWTWQISA-N 1 3 318.461 2.974 20 0 DFADHO C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2C[C@H](N)c3ccccc32)C[C@H](C)O1 ZINC000422795886 296334337 /nfs/dbraw/zinc/33/43/37/296334337.db2.gz IGOOYQHLYXSYSG-IHETXDGRSA-N 1 3 317.477 2.609 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422795478 296334354 /nfs/dbraw/zinc/33/43/54/296334354.db2.gz VRDCSKMZVNRKGH-ZWQIFLOQSA-N 1 3 318.461 2.973 20 0 DFADHO C[C@@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCCCN1 ZINC000422795752 296334403 /nfs/dbraw/zinc/33/44/03/296334403.db2.gz WOMBRDFTTZKICW-RDTXWAMCSA-N 1 3 316.424 2.674 20 0 DFADHO C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)C[C@@H](C)O1 ZINC000422795885 296334557 /nfs/dbraw/zinc/33/45/57/296334557.db2.gz IGOOYQHLYXSYSG-DTTOXWODSA-N 1 3 317.477 2.609 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](C)Oc1ccc(Br)cc1 ZINC000422799063 296335214 /nfs/dbraw/zinc/33/52/14/296335214.db2.gz UWQSNWRPIZLXOX-SRVKXCTJSA-N 1 3 315.255 2.932 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000422804746 296336107 /nfs/dbraw/zinc/33/61/07/296336107.db2.gz LCOIDJYLZXVCBL-BMGDILEWSA-N 1 3 317.502 2.899 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](c1ccsc1)N(C)C ZINC000422804746 296336108 /nfs/dbraw/zinc/33/61/08/296336108.db2.gz LCOIDJYLZXVCBL-BMGDILEWSA-N 1 3 317.502 2.899 20 0 DFADHO CC[C@@H]([NH2+]CCN1CCc2ccccc2C1)[C@H]1CCCCN1 ZINC000422812650 296337639 /nfs/dbraw/zinc/33/76/39/296337639.db2.gz YCLYXYHYFHNDPD-RTBURBONSA-N 1 3 301.478 2.555 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ccc(F)cc1F ZINC000422819718 296339200 /nfs/dbraw/zinc/33/92/00/296339200.db2.gz NQPQCUFAPSNQGH-NSHDSACASA-N 1 3 321.371 2.857 20 0 DFADHO C[C@@H]1CCNC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422818245 296338777 /nfs/dbraw/zinc/33/87/77/296338777.db2.gz FTUSUQBPTZIDRC-DOMZBBRYSA-N 1 3 316.367 2.853 20 0 DFADHO CCN(CC)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422828726 296340637 /nfs/dbraw/zinc/34/06/37/296340637.db2.gz GPKJUCMUMGBEJP-NEWSRXKRSA-N 1 3 303.494 2.670 20 0 DFADHO C[C@H](CN1CCCCC1)[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000422838942 296342269 /nfs/dbraw/zinc/34/22/69/296342269.db2.gz YUFYXACGPKQFCR-NEWSRXKRSA-N 1 3 301.478 2.944 20 0 DFADHO C[C@H](CN1CCCCC1)[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000422838943 296342413 /nfs/dbraw/zinc/34/24/13/296342413.db2.gz YUFYXACGPKQFCR-NZSAHSFTSA-N 1 3 301.478 2.944 20 0 DFADHO CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)cc1 ZINC000422839834 296342417 /nfs/dbraw/zinc/34/24/17/296342417.db2.gz RNKSACULEZRMGU-BMGDILEWSA-N 1 3 304.478 2.869 20 0 DFADHO C[C@H](NC[C@H]1CCCN(Cc2cccs2)C1)[C@H]1CCC[NH2+]1 ZINC000422834953 296341762 /nfs/dbraw/zinc/34/17/62/296341762.db2.gz HZWQVDBPUJQBGD-ZMSDIMECSA-N 1 3 307.507 2.690 20 0 DFADHO CCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1(CC)CC ZINC000422837785 296341946 /nfs/dbraw/zinc/34/19/46/296341946.db2.gz MUAUERGWBZCUCO-HSFUPAIVSA-N 1 3 324.509 2.717 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000422836440 296342006 /nfs/dbraw/zinc/34/20/06/296342006.db2.gz KFOKWAHVIZHHTN-MANSERQUSA-N 1 3 301.478 2.942 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422844561 296343309 /nfs/dbraw/zinc/34/33/09/296343309.db2.gz MEZLTBWFJXTNST-UONOGXRCSA-N 1 3 312.417 2.549 20 0 DFADHO c1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)cc1 ZINC000422843470 296343381 /nfs/dbraw/zinc/34/33/81/296343381.db2.gz IKEOPUFTUYRYQT-JWTNVVGKSA-N 1 3 300.446 2.607 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000422844072 296343430 /nfs/dbraw/zinc/34/34/30/296343430.db2.gz KSRGYZURQOOHPE-JCGIZDLHSA-N 1 3 304.478 2.869 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1ccc(C(C)(C)C)cc1 ZINC000422844072 296343431 /nfs/dbraw/zinc/34/34/31/296343431.db2.gz KSRGYZURQOOHPE-JCGIZDLHSA-N 1 3 304.478 2.869 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422848150 296344343 /nfs/dbraw/zinc/34/43/43/296344343.db2.gz SQFPUSWSCDIVJK-IKGGRYGDSA-N 1 3 307.869 2.946 20 0 DFADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422848150 296344345 /nfs/dbraw/zinc/34/43/45/296344345.db2.gz SQFPUSWSCDIVJK-IKGGRYGDSA-N 1 3 307.869 2.946 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCNCC[C@@H]2C)cc1OC ZINC000422864773 296346830 /nfs/dbraw/zinc/34/68/30/296346830.db2.gz VZHCHQHSXUYIBN-GOEBONIOSA-N 1 3 320.477 2.959 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422863937 296346848 /nfs/dbraw/zinc/34/68/48/296346848.db2.gz MCTSAUGTYSONJZ-ZENOOKHLSA-N 1 3 309.404 2.651 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422863937 296346850 /nfs/dbraw/zinc/34/68/50/296346850.db2.gz MCTSAUGTYSONJZ-ZENOOKHLSA-N 1 3 309.404 2.651 20 0 DFADHO Cc1ccc(OCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422862987 296346898 /nfs/dbraw/zinc/34/68/98/296346898.db2.gz QWJOZLIGMBNTMI-GBESFXJTSA-N 1 3 318.461 2.511 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000422865464 296347059 /nfs/dbraw/zinc/34/70/59/296347059.db2.gz YEIZORRIJBUCLL-HQRMLTQVSA-N 1 3 309.457 2.813 20 0 DFADHO CC[C@H](NC1CCN(CC(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000422857571 296345835 /nfs/dbraw/zinc/34/58/35/296345835.db2.gz HABGCKDOKUCCNT-UONOGXRCSA-N 1 3 307.404 2.523 20 0 DFADHO CCOCCOCc1cccc(CN[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422858527 296345848 /nfs/dbraw/zinc/34/58/48/296345848.db2.gz IWUCVOGPFMXSJA-APWZRJJASA-N 1 3 320.477 2.717 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2CN)cc1OC ZINC000422858217 296345971 /nfs/dbraw/zinc/34/59/71/296345971.db2.gz ICEDWYFXVLHCAT-UKRRQHHQSA-N 1 3 306.450 2.698 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(N2CCCCC2)nc1 ZINC000422878957 296349307 /nfs/dbraw/zinc/34/93/07/296349307.db2.gz LNKKQWBNFHYSHD-DLBZAZTESA-N 1 3 302.466 2.679 20 0 DFADHO C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)CN1Cc1ccccc1 ZINC000422875575 296348690 /nfs/dbraw/zinc/34/86/90/296348690.db2.gz PFRLDJJEACABJC-RWQQGDIJSA-N 1 3 301.478 2.627 20 0 DFADHO Cc1nc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)sc1C ZINC000422890316 296351408 /nfs/dbraw/zinc/35/14/08/296351408.db2.gz IDADKOKGYAFDPE-NSHDSACASA-N 1 3 304.463 2.815 20 0 DFADHO CC1CCN(c2ccc(CN[C@H]3CCC[C@@H]3C[NH3+])cn2)CC1 ZINC000422886954 296350776 /nfs/dbraw/zinc/35/07/76/296350776.db2.gz AENJUKGZJKSHJP-SJORKVTESA-N 1 3 302.466 2.535 20 0 DFADHO CC1CCN(c2ccc(CN[C@H]3CCCC[C@H]3C[NH3+])cn2)CC1 ZINC000422892561 296351850 /nfs/dbraw/zinc/35/18/50/296351850.db2.gz NIHPDACBXHLGSF-ROUUACIJSA-N 1 3 316.493 2.925 20 0 DFADHO N[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000422897704 296352568 /nfs/dbraw/zinc/35/25/68/296352568.db2.gz KERTYIJJAOQYPX-PMACEKPBSA-N 1 3 322.456 2.780 20 0 DFADHO [NH3+][C@H]1C[C@H](NC2CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000422897704 296352569 /nfs/dbraw/zinc/35/25/69/296352569.db2.gz KERTYIJJAOQYPX-PMACEKPBSA-N 1 3 322.456 2.780 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903269 296353740 /nfs/dbraw/zinc/35/37/40/296353740.db2.gz FHHWGINRXFXTSJ-PMUMKWKESA-N 1 3 323.431 2.646 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903269 296353741 /nfs/dbraw/zinc/35/37/41/296353741.db2.gz FHHWGINRXFXTSJ-PMUMKWKESA-N 1 3 323.431 2.646 20 0 DFADHO CCN1CCN(c2ccccc2N[C@@H](C)CCCC[NH3+])CC1 ZINC000422916325 296355462 /nfs/dbraw/zinc/35/54/62/296355462.db2.gz DHXIMJRLRGBRQW-INIZCTEOSA-N 1 3 304.482 2.758 20 0 DFADHO C[C@H](O)CC(C)(C)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422919439 296355775 /nfs/dbraw/zinc/35/57/75/296355775.db2.gz JYINRFWRXWIXHN-ZSZQSSIHSA-N 1 3 318.461 2.629 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000422928983 296356537 /nfs/dbraw/zinc/35/65/37/296356537.db2.gz NSSMWKOMKBVRFP-DJATZLHMSA-N 1 3 306.494 2.935 20 0 DFADHO COc1cc(OC)cc(OCCCN[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422929026 296356604 /nfs/dbraw/zinc/35/66/04/296356604.db2.gz NYFNCJCQPJFKTG-ROUUACIJSA-N 1 3 322.449 2.722 20 0 DFADHO C[C@@H](N)C[C@H](C)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422934296 296357640 /nfs/dbraw/zinc/35/76/40/296357640.db2.gz CIRTVVRIVWKJDF-OLZOCXBDSA-N 1 3 318.490 2.981 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422935055 296357683 /nfs/dbraw/zinc/35/76/83/296357683.db2.gz KJMXQVZWJUXIHO-FZMZJTMJSA-N 1 3 315.230 2.848 20 0 DFADHO C[C@@H](NCCc1ccc(F)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000422935955 296357704 /nfs/dbraw/zinc/35/77/04/296357704.db2.gz LJFGUUQMXJMYLF-ZYHUDNBSSA-N 1 3 315.230 2.718 20 0 DFADHO C[C@H](NCC1(c2ccc(Cl)cc2)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000422935800 296357747 /nfs/dbraw/zinc/35/77/47/296357747.db2.gz DTCODCCBVJOUDT-GJZGRUSLSA-N 1 3 322.880 2.976 20 0 DFADHO COc1ccc(OCCC[N@@H+]2CCC[C@H]3CNCC[C@H]32)cc1 ZINC000631887300 399519455 /nfs/dbraw/zinc/51/94/55/399519455.db2.gz QDYPAQLGTYDTNW-MAUKXSAKSA-N 1 3 304.434 2.538 20 0 DFADHO COc1ccc(OCCC[N@H+]2CCC[C@H]3CNCC[C@H]32)cc1 ZINC000631887300 399519460 /nfs/dbraw/zinc/51/94/60/399519460.db2.gz QDYPAQLGTYDTNW-MAUKXSAKSA-N 1 3 304.434 2.538 20 0 DFADHO CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000422946666 296359410 /nfs/dbraw/zinc/35/94/10/296359410.db2.gz XAEYGXJHOXKWEQ-ZWKOTPCHSA-N 1 3 317.477 2.966 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOc1ccc(C(F)(F)F)cc1 ZINC000422948445 296359679 /nfs/dbraw/zinc/35/96/79/296359679.db2.gz RIFXUAKHZNIHPB-FZMZJTMJSA-N 1 3 302.340 2.801 20 0 DFADHO C[C@H](CCCC[NH3+])N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000422956064 296360711 /nfs/dbraw/zinc/36/07/11/296360711.db2.gz KKGIYUAJIKVHMO-TZMCWYRMSA-N 1 3 309.841 2.552 20 0 DFADHO C[C@@H](Nc1cccc(CN2CCSCC2)c1)[C@H]1CC[NH2+]C1 ZINC000422957655 296360943 /nfs/dbraw/zinc/36/09/43/296360943.db2.gz USUJLBKAXLEJLN-ZBFHGGJFSA-N 1 3 305.491 2.645 20 0 DFADHO CC[C@H](C)C(=O)Nc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422951598 296360108 /nfs/dbraw/zinc/36/01/08/296360108.db2.gz ZFMNTCDOHQPPSN-YSVLISHTSA-N 1 3 303.450 2.888 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000422953809 296360265 /nfs/dbraw/zinc/36/02/65/296360265.db2.gz GNEZFOLPXPYBLM-PBHICJAKSA-N 1 3 305.491 2.645 20 0 DFADHO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000422953336 296360322 /nfs/dbraw/zinc/36/03/22/296360322.db2.gz FHJLFCLLXNCMRV-LAVFITLUSA-N 1 3 304.482 2.728 20 0 DFADHO CC1CCC(C[N@@H+]2CCN(C3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000347542526 285075186 /nfs/dbraw/zinc/07/51/86/285075186.db2.gz PHOZFODUDONVFL-LXPRWKDFSA-N 1 3 307.526 2.913 20 0 DFADHO CC1CCC(C[N@H+]2CCN(C3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000347542526 285075187 /nfs/dbraw/zinc/07/51/87/285075187.db2.gz PHOZFODUDONVFL-LXPRWKDFSA-N 1 3 307.526 2.913 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CCC[C@H]1CN ZINC000422966370 296362258 /nfs/dbraw/zinc/36/22/58/296362258.db2.gz RETBRRYXPKTELM-LPHOPBHVSA-N 1 3 312.461 2.830 20 0 DFADHO CC(C)(C)C[C@H](CO)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422997385 296365114 /nfs/dbraw/zinc/36/51/14/296365114.db2.gz OAHBSATXWPLFHF-OGWOLHLISA-N 1 3 318.461 2.629 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000422989395 296364519 /nfs/dbraw/zinc/36/45/19/296364519.db2.gz LKJCMEXLEZSQJQ-AAEUAGOBSA-N 1 3 317.355 2.586 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](CCO)C1CCCCC1 ZINC000422990087 296364637 /nfs/dbraw/zinc/36/46/37/296364637.db2.gz BMLKPEZSLQPZKW-KBXCAEBGSA-N 1 3 305.466 2.831 20 0 DFADHO COc1cccc(COCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423002819 296365949 /nfs/dbraw/zinc/36/59/49/296365949.db2.gz JXTNMBLYMKOZPK-GUDVDZBRSA-N 1 3 318.461 2.722 20 0 DFADHO CCOc1cc(Cl)ccc1CN[C@H](CCC[NH3+])COC ZINC000423004438 296366238 /nfs/dbraw/zinc/36/62/38/296366238.db2.gz OYMAGRYCRHYUTJ-CQSZACIVSA-N 1 3 300.830 2.582 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCOc1ncccc1C(F)(F)F ZINC000422999208 296365431 /nfs/dbraw/zinc/36/54/31/296365431.db2.gz SCERGADLNOYYRE-WCQYABFASA-N 1 3 317.355 2.586 20 0 DFADHO Fc1cccnc1OCCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422998043 296365520 /nfs/dbraw/zinc/36/55/20/296365520.db2.gz PIPNOAFIRLUOCL-DOTOQJQBSA-N 1 3 315.392 2.682 20 0 DFADHO COc1ccc(OC)c(CCC[NH2+][C@@H]2CCNCC[C@@H]2C)c1 ZINC000423009040 296367187 /nfs/dbraw/zinc/36/71/87/296367187.db2.gz BSHUKZSFPZHVQJ-WMLDXEAASA-N 1 3 306.450 2.614 20 0 DFADHO Cc1cn2c(n1)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CCC2 ZINC000423006141 296366464 /nfs/dbraw/zinc/36/64/64/296366464.db2.gz OGAYEJHMJREWMR-BSDSXHPESA-N 1 3 316.493 2.969 20 0 DFADHO Cc1cn2c(n1)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CCC2 ZINC000423006143 296366695 /nfs/dbraw/zinc/36/66/95/296366695.db2.gz OGAYEJHMJREWMR-XLAORIBOSA-N 1 3 316.493 2.969 20 0 DFADHO c1ccc2c(c1)CC(CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423013845 296367689 /nfs/dbraw/zinc/36/76/89/296367689.db2.gz NMQXUMXNVUPLMZ-HSALFYBXSA-N 1 3 314.473 2.538 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423012401 296367477 /nfs/dbraw/zinc/36/74/77/296367477.db2.gz KRFNQVNIJBWSFP-GREKMHCPSA-N 1 3 313.848 2.940 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3CO2)[C@@H]2CCC[C@@H]21 ZINC000624055694 399538192 /nfs/dbraw/zinc/53/81/92/399538192.db2.gz MRABSRFVGYJZKO-VJANTYMQSA-N 1 3 300.446 2.590 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3CO2)[C@@H]2CCC[C@@H]21 ZINC000624055694 399538196 /nfs/dbraw/zinc/53/81/96/399538196.db2.gz MRABSRFVGYJZKO-VJANTYMQSA-N 1 3 300.446 2.590 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](O)CCc1ccccc1 ZINC000423026456 296369352 /nfs/dbraw/zinc/36/93/52/296369352.db2.gz BGJODNKKMJOZTI-NZSAHSFTSA-N 1 3 304.478 2.881 20 0 DFADHO CC1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000423017870 296368502 /nfs/dbraw/zinc/36/85/02/296368502.db2.gz PRJMLAFKRYUCHX-GUDVDZBRSA-N 1 3 314.473 2.538 20 0 DFADHO CC[C@H](CSC)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423019171 296368583 /nfs/dbraw/zinc/36/85/83/296368583.db2.gz UICKGAAAITZEDN-FRFSOERESA-N 1 3 306.475 2.974 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2CN)cc1OC ZINC000423020925 296368979 /nfs/dbraw/zinc/36/89/79/296368979.db2.gz DEPBQCMJKDGRPK-NUEKZKHPSA-N 1 3 306.450 2.599 20 0 DFADHO CCC(CC)(CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C(=O)OC ZINC000423036036 296370340 /nfs/dbraw/zinc/37/03/40/296370340.db2.gz KOKTUYYGWWRUGT-ZBFHGGJFSA-N 1 3 306.450 2.514 20 0 DFADHO Fc1ccc([C@@H]2C[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000423033789 296370373 /nfs/dbraw/zinc/37/03/73/296370373.db2.gz GYBDAXBBFZDBCF-JILJLDPQSA-N 1 3 304.409 2.918 20 0 DFADHO CS[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000423031988 296370012 /nfs/dbraw/zinc/37/00/12/296370012.db2.gz LYWUFUDZGWWWMY-LXTVHRRPSA-N 1 3 300.512 2.511 20 0 DFADHO COc1cccc([C@@H]2[C@H](N[C@H](C)C[C@H](C)[NH3+])CCN2C2CC2)c1 ZINC000423041747 296371131 /nfs/dbraw/zinc/37/11/31/296371131.db2.gz JQCLQIJPMMINDS-WTVLQJKYSA-N 1 3 317.477 2.688 20 0 DFADHO C[C@H](N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C)[C@H]1CC[NH2+]C1 ZINC000423053376 296372360 /nfs/dbraw/zinc/37/23/60/296372360.db2.gz RUMLZZJADGGSJW-OWLYRPNTSA-N 1 3 302.462 2.958 20 0 DFADHO C[C@@H](CCCC[NH3+])N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000423057726 296373337 /nfs/dbraw/zinc/37/33/37/296373337.db2.gz ZUIGLKSOBGDCEP-SUMWQHHRSA-N 1 3 304.413 2.756 20 0 DFADHO C[C@@H](NC[C@@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423059360 296373361 /nfs/dbraw/zinc/37/33/61/296373361.db2.gz FKIDQLCDZVIJQG-MNEFBYGVSA-N 1 3 301.478 2.627 20 0 DFADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000423064870 296374336 /nfs/dbraw/zinc/37/43/36/296374336.db2.gz SHMVDDHGECCJTF-BHIYHBOVSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000423064870 296374337 /nfs/dbraw/zinc/37/43/37/296374337.db2.gz SHMVDDHGECCJTF-BHIYHBOVSA-N 1 3 301.478 2.629 20 0 DFADHO CC(C)n1ncc2c1C[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CC2 ZINC000423069553 296374383 /nfs/dbraw/zinc/37/43/83/296374383.db2.gz DUYKKBRBNXUMQE-ZJPYXAASSA-N 1 3 316.493 2.832 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000423069054 296374428 /nfs/dbraw/zinc/37/44/28/296374428.db2.gz CYCLVMRPXVGFOU-SCLBCKFNSA-N 1 3 305.466 2.831 20 0 DFADHO O[C@@H]1CCC[C@@]1(CN[C@@H]1CCC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000423072438 296375059 /nfs/dbraw/zinc/37/50/59/296375059.db2.gz HJEDLIOXXZWVDP-QRVBRYPASA-N 1 3 320.452 2.631 20 0 DFADHO CO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)C(F)(F)F ZINC000423073659 296375205 /nfs/dbraw/zinc/37/52/05/296375205.db2.gz ROZYIHWYBUWCLL-XJFOESAGSA-N 1 3 308.388 2.854 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CCCN2CC(F)F)CC1 ZINC000624095413 399551546 /nfs/dbraw/zinc/55/15/46/399551546.db2.gz CILJPGMXWSFTQQ-AWEZNQCLSA-N 1 3 303.441 2.568 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCCN2CC(F)F)CC1 ZINC000624095413 399551547 /nfs/dbraw/zinc/55/15/47/399551547.db2.gz CILJPGMXWSFTQQ-AWEZNQCLSA-N 1 3 303.441 2.568 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000423080609 296376176 /nfs/dbraw/zinc/37/61/76/296376176.db2.gz ZOUQEFWXPLGXJM-ZYSHUDEJSA-N 1 3 301.478 2.551 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CCCCN1C1CC1 ZINC000423080609 296376177 /nfs/dbraw/zinc/37/61/77/296376177.db2.gz ZOUQEFWXPLGXJM-ZYSHUDEJSA-N 1 3 301.478 2.551 20 0 DFADHO C[C@H](CCn1cccn1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000158998916 197318316 /nfs/dbraw/zinc/31/83/16/197318316.db2.gz SFAQGTBWMPICHQ-MRXNPFEDSA-N 1 3 313.449 2.563 20 0 DFADHO CC[C@@H](NC1CCN(c2nccs2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423095308 296377564 /nfs/dbraw/zinc/37/75/64/296377564.db2.gz DQNMKLCPLOPAEZ-CABCVRRESA-N 1 3 308.495 2.622 20 0 DFADHO Fc1ccccc1[C@H]1C[C@H](N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423100680 296378332 /nfs/dbraw/zinc/37/83/32/296378332.db2.gz VLHYYPNNUQOAHP-LVGQOLGVSA-N 1 3 318.436 2.818 20 0 DFADHO Fc1ccccc1[C@H]1C[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423100681 296378338 /nfs/dbraw/zinc/37/83/38/296378338.db2.gz VLHYYPNNUQOAHP-NZMUHZMNSA-N 1 3 318.436 2.818 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000423099798 296378344 /nfs/dbraw/zinc/37/83/44/296378344.db2.gz MLZPFIHVOHOVIH-BBRMVZONSA-N 1 3 305.466 2.688 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](CO)CC1CCCC1 ZINC000423101008 296378394 /nfs/dbraw/zinc/37/83/94/296378394.db2.gz NIGVTPHXKPGHLA-IPELMVKDSA-N 1 3 304.478 2.723 20 0 DFADHO COCCCOc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000423099975 296378401 /nfs/dbraw/zinc/37/84/01/296378401.db2.gz GAYBOIPHENKINQ-MSOLQXFVSA-N 1 3 306.450 2.852 20 0 DFADHO CC1(C)SC[C@@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423113966 296379991 /nfs/dbraw/zinc/37/99/91/296379991.db2.gz ZLUNVQIFUYMFAG-QRTARXTBSA-N 1 3 304.459 2.726 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000423131006 296382332 /nfs/dbraw/zinc/38/23/32/296382332.db2.gz HNDLQMABZSBUGB-BBRMVZONSA-N 1 3 305.466 2.688 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423126742 296381905 /nfs/dbraw/zinc/38/19/05/296381905.db2.gz ORHURUGWZCQTPC-UNQWWWNPSA-N 1 3 322.880 2.926 20 0 DFADHO CCc1ccc([C@@H](CN[C@@H](C)C2C[NH2+]C2)N(CC)CC)cc1 ZINC000423127194 296381931 /nfs/dbraw/zinc/38/19/31/296381931.db2.gz JQPAONCUHCSHNY-HNAYVOBHSA-N 1 3 303.494 2.829 20 0 DFADHO CC(C)Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000423136788 296383012 /nfs/dbraw/zinc/38/30/12/296383012.db2.gz ZLILBXDAUICZMH-OTWHNJEPSA-N 1 3 303.494 2.957 20 0 DFADHO CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2N)N(C)C)cc1 ZINC000423136788 296383015 /nfs/dbraw/zinc/38/30/15/296383015.db2.gz ZLILBXDAUICZMH-OTWHNJEPSA-N 1 3 303.494 2.957 20 0 DFADHO Cc1cc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)ccc1Cl ZINC000423141100 296383860 /nfs/dbraw/zinc/38/38/60/296383860.db2.gz NXYSYCIRQYILRT-CGTJXYLNSA-N 1 3 322.880 2.938 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1cc(C(F)(F)F)ccn1 ZINC000423140529 296383922 /nfs/dbraw/zinc/38/39/22/296383922.db2.gz YVSJEXDRRSEFJC-SMDDNHRTSA-N 1 3 301.356 2.621 20 0 DFADHO CC[NH+]1CCC(NCCc2nc(-c3ccncc3)cs2)CC1 ZINC000271658822 209102958 /nfs/dbraw/zinc/10/29/58/209102958.db2.gz CYSVHUXRDGFTKD-UHFFFAOYSA-N 1 3 316.474 2.822 20 0 DFADHO C[C@H](N[C@H]1C[C@H](c2ccc(Br)cc2)C1)C1C[NH2+]C1 ZINC000423139788 296383422 /nfs/dbraw/zinc/38/34/22/296383422.db2.gz LGVFUSOQZPQAKV-WBIUFABUSA-N 1 3 309.251 2.893 20 0 DFADHO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)C1CNC1 ZINC000423139788 296383423 /nfs/dbraw/zinc/38/34/23/296383423.db2.gz LGVFUSOQZPQAKV-WBIUFABUSA-N 1 3 309.251 2.893 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](O)Cc1cccc(F)c1 ZINC000423142416 296384317 /nfs/dbraw/zinc/38/43/17/296384317.db2.gz AKIZMVHXDSUQGL-JLSDUUJJSA-N 1 3 308.441 2.630 20 0 DFADHO CSc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000423148587 296385057 /nfs/dbraw/zinc/38/50/57/296385057.db2.gz WBGDGHNJVBYFBV-IXEWLPCDSA-N 1 3 319.518 2.884 20 0 DFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000617009086 399569611 /nfs/dbraw/zinc/56/96/11/399569611.db2.gz RXLIVBNIKCZMFY-SJORKVTESA-N 1 3 321.509 2.773 20 0 DFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000617009086 399569614 /nfs/dbraw/zinc/56/96/14/399569614.db2.gz RXLIVBNIKCZMFY-SJORKVTESA-N 1 3 321.509 2.773 20 0 DFADHO CC(C)O[C@H]1C[C@@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423165429 296387453 /nfs/dbraw/zinc/38/74/53/296387453.db2.gz PZUNVBXIZKVWFU-HIRMHNASSA-N 1 3 316.445 2.788 20 0 DFADHO CC(C)O[C@H]1C[C@@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423165428 296387488 /nfs/dbraw/zinc/38/74/88/296387488.db2.gz PZUNVBXIZKVWFU-GFIVTLFCSA-N 1 3 316.445 2.788 20 0 DFADHO c1ncn2cc(C[NH2+][C@@H]3CCN[C@@H](c4ccccc4)C3)ccc12 ZINC000423165608 296387533 /nfs/dbraw/zinc/38/75/33/296387533.db2.gz BGWAXZMKAAJQDL-IEBWSBKVSA-N 1 3 306.413 2.917 20 0 DFADHO c1ncn2cc(CN[C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)ccc12 ZINC000423165608 296387534 /nfs/dbraw/zinc/38/75/34/296387534.db2.gz BGWAXZMKAAJQDL-IEBWSBKVSA-N 1 3 306.413 2.917 20 0 DFADHO CC1(C)CCCN1CC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000423169243 296387748 /nfs/dbraw/zinc/38/77/48/296387748.db2.gz VVIUBXAQFPMPKR-ZWKOTPCHSA-N 1 3 301.478 2.944 20 0 DFADHO CC[C@H](NCCCN1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423179151 296388829 /nfs/dbraw/zinc/38/88/29/296388829.db2.gz HFLMVVOGYRVQMW-HNNXBMFYSA-N 1 3 313.848 2.815 20 0 DFADHO C[C@H]1C[C@H](NCCCN2CC[NH2+]CC2)c2ccsc2S1 ZINC000423183936 296389696 /nfs/dbraw/zinc/38/96/96/296389696.db2.gz SNEMDYJXFUTBFN-JSGCOSHPSA-N 1 3 311.520 2.558 20 0 DFADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(N)CCCCC1 ZINC000423183911 296389807 /nfs/dbraw/zinc/38/98/07/296389807.db2.gz SIVUBFQWPSAGMK-CQSZACIVSA-N 1 3 319.449 2.664 20 0 DFADHO C[C@H](NCC1([NH3+])CCCCC1)c1ccc(OCCN(C)C)cc1 ZINC000423187576 296390120 /nfs/dbraw/zinc/39/01/20/296390120.db2.gz YGAZJNHPVUJOPH-INIZCTEOSA-N 1 3 319.493 2.939 20 0 DFADHO C[C@H](Cc1cn(C)c2ccc(F)cc12)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423196314 296391194 /nfs/dbraw/zinc/39/11/94/296391194.db2.gz ZIINASUCNQLJKF-RDBSUJKOSA-N 1 3 303.425 2.836 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCNC2)c(C)c1OC ZINC000423206592 296392501 /nfs/dbraw/zinc/39/25/01/296392501.db2.gz GGCTVPZWZQQLFC-UKRRQHHQSA-N 1 3 306.450 2.532 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423206592 296392503 /nfs/dbraw/zinc/39/25/03/296392503.db2.gz GGCTVPZWZQQLFC-UKRRQHHQSA-N 1 3 306.450 2.532 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@@H](NC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423216968 296393298 /nfs/dbraw/zinc/39/32/98/296393298.db2.gz STGHYHAUNOLJAD-ZTFGCOKTSA-N 1 3 316.445 2.757 20 0 DFADHO COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2CCCNC2)cc1OC ZINC000423215305 296393444 /nfs/dbraw/zinc/39/34/44/296393444.db2.gz QIFNAGJHMKWECH-CABCVRRESA-N 1 3 306.450 2.532 20 0 DFADHO COc1cc(C)c(C[C@@H](C)NC[C@H]2CCC[NH2+]C2)cc1OC ZINC000423215305 296393446 /nfs/dbraw/zinc/39/34/46/296393446.db2.gz QIFNAGJHMKWECH-CABCVRRESA-N 1 3 306.450 2.532 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)Nc2cc(C)cc(CN(C)C)c2)CC[N@@H+]1C ZINC000632150477 399584355 /nfs/dbraw/zinc/58/43/55/399584355.db2.gz FKWOSWAAEQAFMO-DLBZAZTESA-N 1 3 303.450 2.725 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)Nc2cc(C)cc(CN(C)C)c2)CC[N@H+]1C ZINC000632150477 399584357 /nfs/dbraw/zinc/58/43/57/399584357.db2.gz FKWOSWAAEQAFMO-DLBZAZTESA-N 1 3 303.450 2.725 20 0 DFADHO C[C@@H]([NH3+])CCN[C@H](C)Cc1ccc(F)cc1Br ZINC000423227143 296394630 /nfs/dbraw/zinc/39/46/30/296394630.db2.gz UPUBYHAZWUMZDK-NXEZZACHSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@@H](N)CC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000423227143 296394632 /nfs/dbraw/zinc/39/46/32/296394632.db2.gz UPUBYHAZWUMZDK-NXEZZACHSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423247714 296396793 /nfs/dbraw/zinc/39/67/93/296396793.db2.gz LPMCHYAOCQWGMT-RYUDHWBXSA-N 1 3 306.841 2.877 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@@H](C)Cc1ccc(F)cc1Br ZINC000423270710 296399265 /nfs/dbraw/zinc/39/92/65/296399265.db2.gz IDKDIQMYZSDRKP-MNOVXSKESA-N 1 3 317.246 2.964 20 0 DFADHO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423284750 296400829 /nfs/dbraw/zinc/40/08/29/296400829.db2.gz YHNZGBVVRDQLDU-LXZKKBNFSA-N 1 3 301.434 2.591 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423279978 296400338 /nfs/dbraw/zinc/40/03/38/296400338.db2.gz TWCQUQGWOARXJU-RRQGHBQHSA-N 1 3 310.869 2.875 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423279175 296400340 /nfs/dbraw/zinc/40/03/40/296400340.db2.gz RPKURSGBFKOQIN-BLLLJJGKSA-N 1 3 309.404 2.651 20 0 DFADHO C[C@@H](CNC(=O)C(C)(C)[C@@H](N)c1ccccc1)C[NH+]1CCCC1 ZINC000423336319 296406012 /nfs/dbraw/zinc/40/60/12/296406012.db2.gz GRDFMTBCRRHBTF-RDJZCZTQSA-N 1 3 317.477 2.561 20 0 DFADHO C[C@H]1CCN[C@@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000423354369 296407637 /nfs/dbraw/zinc/40/76/37/296407637.db2.gz NKHRMXDRKBOIJU-MAUKXSAKSA-N 1 3 315.461 2.652 20 0 DFADHO Brc1cccc2c1C[C@@H](NC[C@@H]1CC[NH2+]C1)CC2 ZINC000423346977 296407049 /nfs/dbraw/zinc/40/70/49/296407049.db2.gz QLHCFPUXTYOILS-YPMHNXCESA-N 1 3 309.251 2.506 20 0 DFADHO Fc1ccc([C@@H](C[C@@H]2CCCO2)NCC2=CC[NH2+]CC2)cc1 ZINC000423357318 296408322 /nfs/dbraw/zinc/40/83/22/296408322.db2.gz SFISSELZIMPNAN-ZWKOTPCHSA-N 1 3 304.409 2.945 20 0 DFADHO OC1(CC[NH2+]C2CCN(CC3CCCCC3)CC2)CCOCC1 ZINC000367689300 285233473 /nfs/dbraw/zinc/23/34/73/285233473.db2.gz PFYAYDVBMIVTSH-UHFFFAOYSA-N 1 3 324.509 2.552 20 0 DFADHO OC1(CCNC2CC[NH+](CC3CCCCC3)CC2)CCOCC1 ZINC000367689300 285233474 /nfs/dbraw/zinc/23/34/74/285233474.db2.gz PFYAYDVBMIVTSH-UHFFFAOYSA-N 1 3 324.509 2.552 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000359040431 285246777 /nfs/dbraw/zinc/24/67/77/285246777.db2.gz KYICQEAPEGMPJB-IAGOWNOFSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000359040431 285246780 /nfs/dbraw/zinc/24/67/80/285246780.db2.gz KYICQEAPEGMPJB-IAGOWNOFSA-N 1 3 323.525 2.687 20 0 DFADHO COC(=O)c1oc([C@@H](C)N2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC000602877034 399612705 /nfs/dbraw/zinc/61/27/05/399612705.db2.gz KHBSHCFTUYKMIY-CQSZACIVSA-N 1 3 320.433 2.853 20 0 DFADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423440754 296416944 /nfs/dbraw/zinc/41/69/44/296416944.db2.gz VZSKEQDZHWDKGM-XOSAIJSUSA-N 1 3 308.853 2.536 20 0 DFADHO CCC[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)N(C)C ZINC000120383411 195155389 /nfs/dbraw/zinc/15/53/89/195155389.db2.gz HBYHLHZCQWXSRR-GOSISDBHSA-N 1 3 323.525 2.831 20 0 DFADHO COc1ncc([C@@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000423447789 296417745 /nfs/dbraw/zinc/41/77/45/296417745.db2.gz UJAVNVYHDGUFNZ-RIEGTJTDSA-N 1 3 309.841 2.782 20 0 DFADHO C[C@H]([NH2+]Cc1ccc[nH]c1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000624259647 399619262 /nfs/dbraw/zinc/61/92/62/399619262.db2.gz SDAXIEUHMNEYIQ-MAUKXSAKSA-N 1 3 311.429 2.787 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc[nH]c1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000624259646 399618913 /nfs/dbraw/zinc/61/89/13/399618913.db2.gz SDAXIEUHMNEYIQ-CRAIPNDOSA-N 1 3 311.429 2.787 20 0 DFADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000629512465 399629906 /nfs/dbraw/zinc/62/99/06/399629906.db2.gz AMJRPVGJSLCKIU-JKEDJMADSA-N 1 3 314.473 2.925 20 0 DFADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(-c2ccncc2)cc1 ZINC000629520323 399633428 /nfs/dbraw/zinc/63/34/28/399633428.db2.gz GHOHCWLSWVONKC-OAHLLOKOSA-N 1 3 311.429 2.907 20 0 DFADHO [NH3+]C1(CN[C@@H](Cc2ccccc2Cl)C2CC2)CCOCC1 ZINC000629520065 399634124 /nfs/dbraw/zinc/63/41/24/399634124.db2.gz KDJCKCRZMZXATE-INIZCTEOSA-N 1 3 308.853 2.759 20 0 DFADHO CCOc1ccc([C@@H](C)[NH2+]CC2(N)CCOCC2)cc1OCC ZINC000629524419 399635298 /nfs/dbraw/zinc/63/52/98/399635298.db2.gz RIBCZFVZOBGICL-CQSZACIVSA-N 1 3 322.449 2.643 20 0 DFADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccccc1C(F)(F)F ZINC000629524345 399635329 /nfs/dbraw/zinc/63/53/29/399635329.db2.gz OYNNYZNNRJBRLS-LLVKDONJSA-N 1 3 302.340 2.864 20 0 DFADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)CC1 ZINC000629531409 399637789 /nfs/dbraw/zinc/63/77/89/399637789.db2.gz KDLIZZQNICXVIC-DUQPFJRNSA-N 1 3 312.498 2.702 20 0 DFADHO Cc1cc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc(C)c1O ZINC000289967805 221348285 /nfs/dbraw/zinc/34/82/85/221348285.db2.gz BOPKKRVCHYPJJO-MRXNPFEDSA-N 1 3 318.461 2.600 20 0 DFADHO C[C@H]1C[C@H](N(C)CCc2cn[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000289971374 221351351 /nfs/dbraw/zinc/35/13/51/221351351.db2.gz JDLZRKZQDUXMME-QFBILLFUSA-N 1 3 312.461 2.937 20 0 DFADHO C[C@H]1C[C@H](N(C)CCc2cn[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000289971374 221351354 /nfs/dbraw/zinc/35/13/54/221351354.db2.gz JDLZRKZQDUXMME-QFBILLFUSA-N 1 3 312.461 2.937 20 0 DFADHO Cc1cc(Cl)c2c(c1)[C@H](NCCOCCC[NH3+])CCCO2 ZINC000629534897 399638914 /nfs/dbraw/zinc/63/89/14/399638914.db2.gz BXIGCNRNHWQANB-OAHLLOKOSA-N 1 3 312.841 2.817 20 0 DFADHO CCOc1cccc2cc([C@H](C)NCCOCCC[NH3+])oc21 ZINC000629540567 399640521 /nfs/dbraw/zinc/64/05/21/399640521.db2.gz VXDRKJAVDLJGBW-ZDUSSCGKSA-N 1 3 306.406 2.848 20 0 DFADHO COc1ccc2c(c1)[C@@H](NCCOCCC[NH3+])CCCS2 ZINC000629539068 399639976 /nfs/dbraw/zinc/63/99/76/399639976.db2.gz PENLVUSIIIEJAN-HNNXBMFYSA-N 1 3 310.463 2.577 20 0 DFADHO C[NH2+]CCOCCN(C)Cc1cc(Cl)cc2cccnc21 ZINC000629569157 399652674 /nfs/dbraw/zinc/65/26/74/399652674.db2.gz AMJDXWLLPAFNLD-UHFFFAOYSA-N 1 3 307.825 2.556 20 0 DFADHO O[C@H](CNC[C@H]1CCC[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000629579510 399653403 /nfs/dbraw/zinc/65/34/03/399653403.db2.gz FGMQPELFBMTYKY-GUDVDZBRSA-N 1 3 302.462 2.617 20 0 DFADHO CC(C)CC[C@@H](NCc1cn([C@@H]2CC[NH2+]C2)nn1)C(C)(C)C ZINC000629551832 399645330 /nfs/dbraw/zinc/64/53/30/399645330.db2.gz XGXORBRCELIFSK-HZPDHXFCSA-N 1 3 307.486 2.753 20 0 DFADHO C[NH2+]CCOCCN(C)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000629571210 399652495 /nfs/dbraw/zinc/65/24/95/399652495.db2.gz JJHOZLCNHLPRPR-GFCCVEGCSA-N 1 3 302.365 2.517 20 0 DFADHO C[NH2+]CCc1ccc(-c2ccccc2CN2CCN(C)CC2)cc1 ZINC000629735163 399707780 /nfs/dbraw/zinc/70/77/80/399707780.db2.gz KVZIDSIHRLZPLU-UHFFFAOYSA-N 1 3 323.484 2.863 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(C2CC2)c1 ZINC000617502659 399719013 /nfs/dbraw/zinc/71/90/13/399719013.db2.gz XWTJZJXGDUAMFN-HNNXBMFYSA-N 1 3 317.477 2.566 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(C2CC2)c1 ZINC000617502659 399719018 /nfs/dbraw/zinc/71/90/18/399719018.db2.gz XWTJZJXGDUAMFN-HNNXBMFYSA-N 1 3 317.477 2.566 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC000617502596 399719345 /nfs/dbraw/zinc/71/93/45/399719345.db2.gz VOYSDNQAUQXONA-RYQLBKOJSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC000617502596 399719349 /nfs/dbraw/zinc/71/93/49/399719349.db2.gz VOYSDNQAUQXONA-RYQLBKOJSA-N 1 3 323.525 2.591 20 0 DFADHO COc1cc(C[N@H+](C)C[C@H]2CCN(C)C2)ccc1OC(F)F ZINC000120975750 195275242 /nfs/dbraw/zinc/27/52/42/195275242.db2.gz HBCOMMFHMDNZFA-ZDUSSCGKSA-N 1 3 314.376 2.680 20 0 DFADHO COc1cc(C[N@@H+](C)C[C@H]2CCN(C)C2)ccc1OC(F)F ZINC000120975750 195275244 /nfs/dbraw/zinc/27/52/44/195275244.db2.gz HBCOMMFHMDNZFA-ZDUSSCGKSA-N 1 3 314.376 2.680 20 0 DFADHO C[C@H]([NH2+]CC1CCN(Cc2cccs2)CC1)[C@H]1CCOC1 ZINC000125457703 195752088 /nfs/dbraw/zinc/75/20/88/195752088.db2.gz NXUSYHPXGNKQCF-HOCLYGCPSA-N 1 3 308.491 2.975 20 0 DFADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@@H](OC)[C@H]1CCOC1 ZINC000626063937 399742670 /nfs/dbraw/zinc/74/26/70/399742670.db2.gz WAFIXKXYQHIJGN-RBUKOAKNSA-N 1 3 320.477 2.622 20 0 DFADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@@H](OC)[C@H]1CCOC1 ZINC000626063937 399742673 /nfs/dbraw/zinc/74/26/73/399742673.db2.gz WAFIXKXYQHIJGN-RBUKOAKNSA-N 1 3 320.477 2.622 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(CC(C)C)CC1)CO2 ZINC000295819178 533266705 /nfs/dbraw/zinc/26/67/05/533266705.db2.gz DGZGZWUPXLQDDH-QGZVFWFLSA-N 1 3 318.461 2.709 20 0 DFADHO CC[C@H](N)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000423857257 296457090 /nfs/dbraw/zinc/45/70/90/296457090.db2.gz YFWHXEXJGSKDJD-KRWDZBQOSA-N 1 3 303.450 2.637 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)CN(C)C1CCC1)c1ccccc1 ZINC000629943609 399761562 /nfs/dbraw/zinc/76/15/62/399761562.db2.gz SAAUZIILRSFFGI-SFHVURJKSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@@]1(O)CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000129581919 542624760 /nfs/dbraw/zinc/62/47/60/542624760.db2.gz NIPSZQXSNYAIFB-LJQANCHMSA-N 1 3 318.461 2.508 20 0 DFADHO CCOc1cncc(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000621371671 399773693 /nfs/dbraw/zinc/77/36/93/399773693.db2.gz ICQWHKVFZZWPQF-UHFFFAOYSA-N 1 3 303.450 2.692 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H]1CCCNc2ccccc21 ZINC000348254628 285452265 /nfs/dbraw/zinc/45/22/65/285452265.db2.gz OYOJPXWNTMDCAG-GOSISDBHSA-N 1 3 305.466 2.881 20 0 DFADHO CN(CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CCC1 ZINC000629991241 399784457 /nfs/dbraw/zinc/78/44/57/399784457.db2.gz RVUYCHLYROSXIO-MRXNPFEDSA-N 1 3 323.868 2.543 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1C[C@H](N)Cc2ccccc21 ZINC000424079853 296483676 /nfs/dbraw/zinc/48/36/76/296483676.db2.gz STFGDCJIUZYHDV-QGZVFWFLSA-N 1 3 317.477 2.805 20 0 DFADHO CC(C)C[C@@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000169233938 542754972 /nfs/dbraw/zinc/75/49/72/542754972.db2.gz AKPNOCZADDWYMI-MRXNPFEDSA-N 1 3 316.449 2.515 20 0 DFADHO CN(C)CCc1ccccc1NC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000632937596 399800868 /nfs/dbraw/zinc/80/08/68/399800868.db2.gz JMRTVNSTCRSZQJ-MRXNPFEDSA-N 1 3 318.465 2.526 20 0 DFADHO Cc1n[nH]cc1[C@@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000180151927 542783114 /nfs/dbraw/zinc/78/31/14/542783114.db2.gz OLBCCYUKZRDZHV-CYBMUJFWSA-N 1 3 302.422 2.509 20 0 DFADHO Cc1n[nH]cc1[C@@H](C)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000180425236 542784357 /nfs/dbraw/zinc/78/43/57/542784357.db2.gz OZAYWMDWXHCTQS-CQSZACIVSA-N 1 3 316.449 2.899 20 0 DFADHO C[C@H]1C[C@H](NCCc2nc(-c3ccccn3)cs2)CC[N@@H+]1C ZINC000181009922 542787443 /nfs/dbraw/zinc/78/74/43/542787443.db2.gz NGMXWDDMOXEJFW-UONOGXRCSA-N 1 3 316.474 2.820 20 0 DFADHO C[C@H]1C[C@H](NCCc2nc(-c3ccccn3)cs2)CC[N@H+]1C ZINC000181009922 542787445 /nfs/dbraw/zinc/78/74/45/542787445.db2.gz NGMXWDDMOXEJFW-UONOGXRCSA-N 1 3 316.474 2.820 20 0 DFADHO CCO[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCCC2)C12CCCCC2 ZINC000181560220 542790294 /nfs/dbraw/zinc/79/02/94/542790294.db2.gz RSXKEUNJXKDLNZ-RCCFBDPRSA-N 1 3 324.509 2.551 20 0 DFADHO [NH3+]C1CCC(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000621488046 399813667 /nfs/dbraw/zinc/81/36/67/399813667.db2.gz SNWVXJJYGZJHEC-YMAMQOFZSA-N 1 3 321.490 2.519 20 0 DFADHO CC[C@H]1CN(CCC(=O)Nc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000251889402 542946751 /nfs/dbraw/zinc/94/67/51/542946751.db2.gz VVZJIJSEHUDKRY-GXTWGEPZSA-N 1 3 309.841 2.728 20 0 DFADHO COc1cc2c(cc1OC)[C@H]([NH2+]CCCN1CCCC1)CC2 ZINC000280180406 542987058 /nfs/dbraw/zinc/98/70/58/542987058.db2.gz RPCRSNPEUSZPBU-MRXNPFEDSA-N 1 3 304.434 2.767 20 0 DFADHO C[C@@H]1C[N@H+](CCCN[C@H]2CCc3ccc(F)cc32)CCCO1 ZINC000278444793 542982258 /nfs/dbraw/zinc/98/22/58/542982258.db2.gz HUYOHVUEWMIQKR-KDOFPFPSSA-N 1 3 306.425 2.904 20 0 DFADHO C[C@@H]1C[N@@H+](CCCN[C@H]2CCc3ccc(F)cc32)CCCO1 ZINC000278444793 542982261 /nfs/dbraw/zinc/98/22/61/542982261.db2.gz HUYOHVUEWMIQKR-KDOFPFPSSA-N 1 3 306.425 2.904 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000424429869 296509486 /nfs/dbraw/zinc/50/94/86/296509486.db2.gz YDRFLZHJKVUUON-UHFFFAOYSA-N 1 3 318.465 2.697 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCCC1)c1cccc(OCCN(C)C)c1 ZINC000305146050 543055491 /nfs/dbraw/zinc/05/54/91/543055491.db2.gz RUHSUXYSPGBBQZ-OAHLLOKOSA-N 1 3 306.450 2.583 20 0 DFADHO c1ccc(CN2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000305568032 543058729 /nfs/dbraw/zinc/05/87/29/543058729.db2.gz TYJKNUWKIKMMTK-UHFFFAOYSA-N 1 3 321.468 2.650 20 0 DFADHO CC(C)CN(C(=O)CC[N@@H+]1CCCC[C@@H]1C)C1CCN(C)CC1 ZINC000339272519 543142869 /nfs/dbraw/zinc/14/28/69/543142869.db2.gz DTORIVHKEZNBDP-KRWDZBQOSA-N 1 3 323.525 2.830 20 0 DFADHO CC(C)CN(C(=O)CC[N@H+]1CCCC[C@@H]1C)C1CCN(C)CC1 ZINC000339272519 543142872 /nfs/dbraw/zinc/14/28/72/543142872.db2.gz DTORIVHKEZNBDP-KRWDZBQOSA-N 1 3 323.525 2.830 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000339072324 543139986 /nfs/dbraw/zinc/13/99/86/543139986.db2.gz WKAFWRKEDBBEJF-AHRSYUTCSA-N 1 3 313.489 2.650 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000339072324 543139988 /nfs/dbraw/zinc/13/99/88/543139988.db2.gz WKAFWRKEDBBEJF-AHRSYUTCSA-N 1 3 313.489 2.650 20 0 DFADHO c1ccc(CCOCCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339070198 543140438 /nfs/dbraw/zinc/14/04/38/543140438.db2.gz ZKGXFBCVNYCIGR-MOPGFXCFSA-N 1 3 302.462 2.852 20 0 DFADHO c1ccc(CCOCCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339070198 543140441 /nfs/dbraw/zinc/14/04/41/543140441.db2.gz ZKGXFBCVNYCIGR-MOPGFXCFSA-N 1 3 302.462 2.852 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000339233462 543141818 /nfs/dbraw/zinc/14/18/18/543141818.db2.gz CNRFVRSXMOVXOI-WMZOPIPTSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000339233462 543141822 /nfs/dbraw/zinc/14/18/22/543141822.db2.gz CNRFVRSXMOVXOI-WMZOPIPTSA-N 1 3 317.477 2.670 20 0 DFADHO COc1ccc2c(c1)OC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)C2 ZINC000341907214 543158901 /nfs/dbraw/zinc/15/89/01/543158901.db2.gz NFVUGQVDPGJNTO-KRWDZBQOSA-N 1 3 318.461 2.709 20 0 DFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CC[C@@H]1C1CC1 ZINC000343993150 543170079 /nfs/dbraw/zinc/17/00/79/543170079.db2.gz ROIVPGZAQWLEFA-IAGOWNOFSA-N 1 3 303.450 2.690 20 0 DFADHO OC1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000348128950 543183281 /nfs/dbraw/zinc/18/32/81/543183281.db2.gz WRFBOBPNQDYJHR-PMACEKPBSA-N 1 3 314.473 2.922 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000348385285 543184760 /nfs/dbraw/zinc/18/47/60/543184760.db2.gz WAOXBLBNPUPJMZ-QYZOEREBSA-N 1 3 300.446 2.531 20 0 DFADHO C[NH+](C)CCC1CCN(Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000352650452 543230982 /nfs/dbraw/zinc/23/09/82/543230982.db2.gz XKVBXHWELMIFSK-UHFFFAOYSA-N 1 3 318.387 2.609 20 0 DFADHO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000353676224 543237826 /nfs/dbraw/zinc/23/78/26/543237826.db2.gz WCGTVOYODJAQSU-GBESFXJTSA-N 1 3 302.462 2.777 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@](C)(CO)Cc2ccccc2)[C@@H](C)C1 ZINC000358057146 543265660 /nfs/dbraw/zinc/26/56/60/543265660.db2.gz PFGZRODBBOXSJG-WDSOQIARSA-N 1 3 304.478 2.548 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@](C)(CO)Cc2ccccc2)[C@@H](C)C1 ZINC000358057146 543265664 /nfs/dbraw/zinc/26/56/64/543265664.db2.gz PFGZRODBBOXSJG-WDSOQIARSA-N 1 3 304.478 2.548 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000379629327 543297510 /nfs/dbraw/zinc/29/75/10/543297510.db2.gz OSWMFUCJLZEVBX-QRVBRYPASA-N 1 3 301.478 2.901 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000379629329 543297535 /nfs/dbraw/zinc/29/75/35/543297535.db2.gz OSWMFUCJLZEVBX-QYZOEREBSA-N 1 3 301.478 2.901 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414928510 543328123 /nfs/dbraw/zinc/32/81/23/543328123.db2.gz QDBNIBACVGFNDZ-NUEKZKHPSA-N 1 3 303.450 2.826 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414928510 543328126 /nfs/dbraw/zinc/32/81/26/543328126.db2.gz QDBNIBACVGFNDZ-NUEKZKHPSA-N 1 3 303.450 2.826 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(F)c(Br)c2)C1 ZINC000414930688 543328201 /nfs/dbraw/zinc/32/82/01/543328201.db2.gz TYINEXYNMQPOSV-WDEREUQCSA-N 1 3 301.203 2.948 20 0 DFADHO C[C@@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000633943132 399963294 /nfs/dbraw/zinc/96/32/94/399963294.db2.gz CPHZAKVURRZEAO-BBWFWOEESA-N 1 3 321.509 2.725 20 0 DFADHO C[NH+]1CCC(CCNCc2ccncc2Br)CC1 ZINC000631065768 399972986 /nfs/dbraw/zinc/97/29/86/399972986.db2.gz SOKIKKOTTJGFOC-UHFFFAOYSA-N 1 3 312.255 2.666 20 0 DFADHO Cc1ccc([C@@H](C)CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000628167605 399995263 /nfs/dbraw/zinc/99/52/63/399995263.db2.gz SSZXABGIRKGKNT-ICSRJNTNSA-N 1 3 315.505 2.810 20 0 DFADHO Cc1ccc([C@@H](C)CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000628167605 399995265 /nfs/dbraw/zinc/99/52/65/399995265.db2.gz SSZXABGIRKGKNT-ICSRJNTNSA-N 1 3 315.505 2.810 20 0 DFADHO Cc1ccc([C@H](C)C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000628214882 400003128 /nfs/dbraw/zinc/00/31/28/400003128.db2.gz QIYPKZNECNFXPH-MJGOQNOKSA-N 1 3 315.505 2.857 20 0 DFADHO C[NH+]1CCC([C@@H]2CCN(Cc3cnc4ccccc4n3)C2)CC1 ZINC000628279852 400012854 /nfs/dbraw/zinc/01/28/54/400012854.db2.gz CQFAQSIMWZMEFC-MRXNPFEDSA-N 1 3 310.445 2.794 20 0 DFADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000631700928 400068281 /nfs/dbraw/zinc/06/82/81/400068281.db2.gz LMCNHMOPDHFFGO-ADAWSYLGSA-N 1 3 306.450 2.844 20 0 DFADHO CC(C)[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@H](O)C(F)(F)F ZINC000631714243 400069278 /nfs/dbraw/zinc/06/92/78/400069278.db2.gz DXDDUQGDAUOVTP-STQMWFEESA-N 1 3 310.404 2.787 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2cccc3c2CCOC3)[C@H]2CCC[C@H]21 ZINC000631732584 400070850 /nfs/dbraw/zinc/07/08/50/400070850.db2.gz LLLKLUYDZGNJTF-CEXWTWQISA-N 1 3 300.446 2.722 20 0 DFADHO C[N@H+]1CC[C@H](NCc2cccc3c2CCOC3)[C@H]2CCC[C@H]21 ZINC000631732584 400070852 /nfs/dbraw/zinc/07/08/52/400070852.db2.gz LLLKLUYDZGNJTF-CEXWTWQISA-N 1 3 300.446 2.722 20 0 DFADHO CN1CC[C@@H]([NH+]2CCN(c3cccc(F)c3)CC2)CC1(C)C ZINC000631790269 400075211 /nfs/dbraw/zinc/07/52/11/400075211.db2.gz KVQLIDLJJNVKKV-QGZVFWFLSA-N 1 3 305.441 2.821 20 0 DFADHO Cc1cc(C)c(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(C)n1 ZINC000631828348 400078059 /nfs/dbraw/zinc/07/80/59/400078059.db2.gz MKUWGEFUPBMBDV-HKUYNNGSSA-N 1 3 317.477 2.725 20 0 DFADHO N[C@H]1CCCCC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000631832548 400078476 /nfs/dbraw/zinc/07/84/76/400078476.db2.gz IFJSTAPEFULDOA-HNNXBMFYSA-N 1 3 323.868 2.550 20 0 DFADHO N[C@H]1CCCCC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000631832548 400078477 /nfs/dbraw/zinc/07/84/77/400078477.db2.gz IFJSTAPEFULDOA-HNNXBMFYSA-N 1 3 323.868 2.550 20 0 DFADHO C[C@H]1CN(Cc2ccc(OCc3ccccn3)cc2)C[C@H]1C[NH3+] ZINC000631839626 400078840 /nfs/dbraw/zinc/07/88/40/400078840.db2.gz IQJIPHINFOBDGT-DOTOQJQBSA-N 1 3 311.429 2.687 20 0 DFADHO C[C@H]1CN(Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631840040 400079051 /nfs/dbraw/zinc/07/90/51/400079051.db2.gz OVDPKKSGQUZIOI-AAEUAGOBSA-N 1 3 302.340 2.654 20 0 DFADHO C[C@@H]1CN(Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC000631839629 400079079 /nfs/dbraw/zinc/07/90/79/400079079.db2.gz IQJIPHINFOBDGT-WBVHZDCISA-N 1 3 311.429 2.687 20 0 DFADHO C[C@@H]1COCC[C@H]1[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000192520731 145924435 /nfs/dbraw/zinc/92/44/35/145924435.db2.gz LQNJHXHICZXZCA-RHSMWYFYSA-N 1 3 308.491 2.975 20 0 DFADHO C[C@@H](NCCOCC[NH+](C)C)c1cccc(Br)c1 ZINC000219316408 146001031 /nfs/dbraw/zinc/00/10/31/146001031.db2.gz OIQYJSVZCCOLGU-GFCCVEGCSA-N 1 3 315.255 2.678 20 0 DFADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000219315225 146000403 /nfs/dbraw/zinc/00/04/03/146000403.db2.gz RYCPLPUHWZLQNE-GFCCVEGCSA-N 1 3 304.356 2.934 20 0 DFADHO C[C@@H]1C[C@H](N(C)C(=O)CC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000237378447 146042587 /nfs/dbraw/zinc/04/25/87/146042587.db2.gz MSJCBFGLZRXRNE-NVXWUHKLSA-N 1 3 317.477 2.625 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000245202850 146063196 /nfs/dbraw/zinc/06/31/96/146063196.db2.gz WMCUAAQHAAZTFQ-OAGGEKHMSA-N 1 3 309.498 2.628 20 0 DFADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000245745783 146099735 /nfs/dbraw/zinc/09/97/35/146099735.db2.gz MRYSHNDXXNEZOT-RLFYNMQTSA-N 1 3 320.477 2.928 20 0 DFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CCCO2)C3)cc1 ZINC000245784370 146102930 /nfs/dbraw/zinc/10/29/30/146102930.db2.gz ZIVJNZVFJWCHRS-OKYOBFRVSA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CCCO2)C3)cc1 ZINC000245784370 146102932 /nfs/dbraw/zinc/10/29/32/146102932.db2.gz ZIVJNZVFJWCHRS-OKYOBFRVSA-N 1 3 300.446 2.951 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3c(F)cccc3F)C2)[C@H](C)C1 ZINC000247090518 146160333 /nfs/dbraw/zinc/16/03/33/146160333.db2.gz NZDDAHPSMDWEQE-KEYYUXOJSA-N 1 3 323.431 2.863 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3c(F)cccc3F)C2)[C@H](C)C1 ZINC000247090518 146160334 /nfs/dbraw/zinc/16/03/34/146160334.db2.gz NZDDAHPSMDWEQE-KEYYUXOJSA-N 1 3 323.431 2.863 20 0 DFADHO FC(F)COCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000249032361 146182604 /nfs/dbraw/zinc/18/26/04/146182604.db2.gz LTLXIWDBRLAGHY-GVDBMIGSSA-N 1 3 324.415 2.768 20 0 DFADHO FC(F)COCCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000249032361 146182605 /nfs/dbraw/zinc/18/26/05/146182605.db2.gz LTLXIWDBRLAGHY-GVDBMIGSSA-N 1 3 324.415 2.768 20 0 DFADHO FC(F)COCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249032361 146182606 /nfs/dbraw/zinc/18/26/06/146182606.db2.gz LTLXIWDBRLAGHY-GVDBMIGSSA-N 1 3 324.415 2.768 20 0 DFADHO CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000249183565 146191543 /nfs/dbraw/zinc/19/15/43/146191543.db2.gz JKESBSOVORLJMF-FCGDIQPGSA-N 1 3 302.462 2.648 20 0 DFADHO CN(C[C@@]1(C)CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000261556867 146240783 /nfs/dbraw/zinc/24/07/83/146240783.db2.gz WKTDUAYPOWOTBJ-IBGZPJMESA-N 1 3 301.478 2.582 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCNC[C@H]1C ZINC000261584736 146242235 /nfs/dbraw/zinc/24/22/35/146242235.db2.gz SOOWNLMSKUIZPI-JMSVASOKSA-N 1 3 311.267 2.968 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000261584736 146242239 /nfs/dbraw/zinc/24/22/39/146242239.db2.gz SOOWNLMSKUIZPI-JMSVASOKSA-N 1 3 311.267 2.968 20 0 DFADHO c1nn(-c2ccccc2)cc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261634050 146251385 /nfs/dbraw/zinc/25/13/85/146251385.db2.gz CJWMHCWEBYCZMR-LJQANCHMSA-N 1 3 310.445 2.836 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261748954 146270619 /nfs/dbraw/zinc/27/06/19/146270619.db2.gz MLVKLFOINZDWMO-NVXWUHKLSA-N 1 3 303.450 2.842 20 0 DFADHO C[NH2+]CCC1CCN(CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000261754717 146270701 /nfs/dbraw/zinc/27/07/01/146270701.db2.gz PIIRJOVCIFEJPQ-MRXNPFEDSA-N 1 3 317.477 2.528 20 0 DFADHO CC[C@H](c1ccc(Cl)cc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261772108 146273532 /nfs/dbraw/zinc/27/35/32/146273532.db2.gz WEQJVOCDZYSSLM-IAGOWNOFSA-N 1 3 307.869 2.771 20 0 DFADHO COc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1OC(F)F ZINC000261819519 146283247 /nfs/dbraw/zinc/28/32/47/146283247.db2.gz AORVFFOCXZEBIA-NSHDSACASA-N 1 3 314.376 2.856 20 0 DFADHO CO[C@@]1(C)C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1(C)C ZINC000297334673 285925202 /nfs/dbraw/zinc/92/52/02/285925202.db2.gz DAUQDWSZWTWKSN-AEFFLSMTSA-N 1 3 303.450 2.844 20 0 DFADHO NCc1cc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc(C(F)(F)F)c1 ZINC000261868092 146291793 /nfs/dbraw/zinc/29/17/93/146291793.db2.gz SBINHWWVWXHCBC-GXFFZTMASA-N 1 3 315.339 2.620 20 0 DFADHO c1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)n(-c2ccccc2)n1 ZINC000261920601 146301917 /nfs/dbraw/zinc/30/19/17/146301917.db2.gz KLZDRKJABZOVKU-LJQANCHMSA-N 1 3 310.445 2.836 20 0 DFADHO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261929633 146304613 /nfs/dbraw/zinc/30/46/13/146304613.db2.gz LKJRHZVGGIBABO-IAGOWNOFSA-N 1 3 312.461 2.809 20 0 DFADHO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000261929633 146304615 /nfs/dbraw/zinc/30/46/15/146304615.db2.gz LKJRHZVGGIBABO-IAGOWNOFSA-N 1 3 312.461 2.809 20 0 DFADHO Cc1nc2ccccc2n1C[C@H]1CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000261929633 146304617 /nfs/dbraw/zinc/30/46/17/146304617.db2.gz LKJRHZVGGIBABO-IAGOWNOFSA-N 1 3 312.461 2.809 20 0 DFADHO [NH3+][C@@H]1C[C@@H](NCCc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000261943349 146307625 /nfs/dbraw/zinc/30/76/25/146307625.db2.gz VAENXLXRXLUVFG-IAGOWNOFSA-N 1 3 310.397 2.735 20 0 DFADHO c1nc(-c2ccncc2)sc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000261980341 146315100 /nfs/dbraw/zinc/31/51/00/146315100.db2.gz JCSGUUYVMONWDN-UHFFFAOYSA-N 1 3 314.458 2.781 20 0 DFADHO C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])N1CCCC[C@H]1C ZINC000262437190 146360212 /nfs/dbraw/zinc/36/02/12/146360212.db2.gz ULSUREPAFGNAGS-XKTBZMPXSA-N 1 3 321.509 2.519 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)N1CCCCC1 ZINC000354632310 147097951 /nfs/dbraw/zinc/09/79/51/147097951.db2.gz LYTHRPVNRUVCSL-SQNIBIBYSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)N1CCCCC1 ZINC000354632310 147097952 /nfs/dbraw/zinc/09/79/52/147097952.db2.gz LYTHRPVNRUVCSL-SQNIBIBYSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)N1CCCCC1 ZINC000354661320 147108662 /nfs/dbraw/zinc/10/86/62/147108662.db2.gz NTXMIMSYLQDTHO-RCCFBDPRSA-N 1 3 323.525 2.876 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)N1CCCCC1 ZINC000354661320 147108665 /nfs/dbraw/zinc/10/86/65/147108665.db2.gz NTXMIMSYLQDTHO-RCCFBDPRSA-N 1 3 323.525 2.876 20 0 DFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)N1CCCCC1 ZINC000354736546 147134046 /nfs/dbraw/zinc/13/40/46/147134046.db2.gz SOHVPCPWOQZONQ-KURKYZTESA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)N1CCCCC1 ZINC000354736546 147134050 /nfs/dbraw/zinc/13/40/50/147134050.db2.gz SOHVPCPWOQZONQ-KURKYZTESA-N 1 3 323.525 2.734 20 0 DFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000516673030 543424242 /nfs/dbraw/zinc/42/42/42/543424242.db2.gz IBWXOBVZHAUXEL-RTBURBONSA-N 1 3 302.462 2.948 20 0 DFADHO CC[N@H+](C)Cc1cccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000355410761 147305953 /nfs/dbraw/zinc/30/59/53/147305953.db2.gz KPQJWCSDRDEWPA-HZPDHXFCSA-N 1 3 317.477 2.627 20 0 DFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000355410761 147305954 /nfs/dbraw/zinc/30/59/54/147305954.db2.gz KPQJWCSDRDEWPA-HZPDHXFCSA-N 1 3 317.477 2.627 20 0 DFADHO N[C@@H]1C[C@H]([NH2+]CCNc2ccc3ccccc3n2)c2ccccc21 ZINC000576744525 543454136 /nfs/dbraw/zinc/45/41/36/543454136.db2.gz PSQBIYXCRVPRCT-MJGOQNOKSA-N 1 3 318.424 3.381 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000357635819 148065173 /nfs/dbraw/zinc/06/51/73/148065173.db2.gz KCSSPJLOYWXYSE-DNVCBOLYSA-N 1 3 302.462 2.841 20 0 DFADHO COCCCOc1cccc(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000350174552 286014977 /nfs/dbraw/zinc/01/49/77/286014977.db2.gz CKUDCZPFVRCBOJ-UHFFFAOYSA-N 1 3 320.477 2.876 20 0 DFADHO CC(C)(C[NH2+]C1CCN(C(=O)C(C)(C)C)CC1)CN1CCCC1 ZINC000357835555 148141739 /nfs/dbraw/zinc/14/17/39/148141739.db2.gz PPKLSOYKEDBKQA-UHFFFAOYSA-N 1 3 323.525 2.735 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)CN2CCCC2)C12CCOCC2 ZINC000357847654 148147779 /nfs/dbraw/zinc/14/77/79/148147779.db2.gz JNLBXJCVCWEVOI-DLBZAZTESA-N 1 3 324.509 2.672 20 0 DFADHO CCO[C@@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)C12CCOCC2 ZINC000357847654 148147782 /nfs/dbraw/zinc/14/77/82/148147782.db2.gz JNLBXJCVCWEVOI-DLBZAZTESA-N 1 3 324.509 2.672 20 0 DFADHO C(Cc1nc2c(s1)CCCC2)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358151087 148261228 /nfs/dbraw/zinc/26/12/28/148261228.db2.gz BZUQSCBQZIAZOJ-KBPBESRZSA-N 1 3 305.491 2.781 20 0 DFADHO C(Cc1nc2c(s1)CCCC2)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358151087 148261231 /nfs/dbraw/zinc/26/12/31/148261231.db2.gz BZUQSCBQZIAZOJ-KBPBESRZSA-N 1 3 305.491 2.781 20 0 DFADHO C[C@@H]([NH2+]CC1(CCO)CCC1)c1cccc(OCCN(C)C)c1 ZINC000358317075 148326358 /nfs/dbraw/zinc/32/63/58/148326358.db2.gz KASKEKZCDAFOFJ-MRXNPFEDSA-N 1 3 320.477 2.830 20 0 DFADHO CC[NH+](CC)CCOCCNCc1cccc2c1OC(C)(C)C2 ZINC000350324885 286028650 /nfs/dbraw/zinc/02/86/50/286028650.db2.gz YIPAOCWEUHSEBX-UHFFFAOYSA-N 1 3 320.477 2.848 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@@H]3CCC[C@@H]([NH3+])C3)n2)cc1 ZINC000350723901 286077711 /nfs/dbraw/zinc/07/77/11/286077711.db2.gz FXYAMJZSKRSSBJ-HUUCEWRRSA-N 1 3 300.406 2.783 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000361194958 149051510 /nfs/dbraw/zinc/05/15/10/149051510.db2.gz DWZOSZMIGABSGN-QGZVFWFLSA-N 1 3 303.450 2.870 20 0 DFADHO Cc1ccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)s1 ZINC000361345601 149091609 /nfs/dbraw/zinc/09/16/09/149091609.db2.gz JRSUBZSCKJKVDL-CQSZACIVSA-N 1 3 323.506 2.650 20 0 DFADHO CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC1CCC1 ZINC000361480934 149126647 /nfs/dbraw/zinc/12/66/47/149126647.db2.gz HWZWADDZJYYDTK-GOSISDBHSA-N 1 3 317.477 2.528 20 0 DFADHO CC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC1CCC1 ZINC000361480934 149126648 /nfs/dbraw/zinc/12/66/48/149126648.db2.gz HWZWADDZJYYDTK-GOSISDBHSA-N 1 3 317.477 2.528 20 0 DFADHO CCCOc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000361891520 149247646 /nfs/dbraw/zinc/24/76/46/149247646.db2.gz XOAZWMCQUJPFGJ-HNNXBMFYSA-N 1 3 306.450 2.583 20 0 DFADHO C[NH+](C)CCOCCNCc1cc(Cl)cc2cccnc21 ZINC000361967379 149267192 /nfs/dbraw/zinc/26/71/92/149267192.db2.gz SRUHKMYPRDNIGA-UHFFFAOYSA-N 1 3 307.825 2.556 20 0 DFADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000362627142 149327241 /nfs/dbraw/zinc/32/72/41/149327241.db2.gz MLNDQCQBRCVMDZ-IAGOWNOFSA-N 1 3 311.514 2.589 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000362897129 149391528 /nfs/dbraw/zinc/39/15/28/149391528.db2.gz UUUHWCYIDYDYAM-INIZCTEOSA-N 1 3 317.477 2.552 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(OCc4ccccn4)cc3)C[C@H]12 ZINC000351472613 286128630 /nfs/dbraw/zinc/12/86/30/286128630.db2.gz BERNSEDTYUPQIG-FFZOFVMBSA-N 1 3 323.440 2.830 20 0 DFADHO C[C@@H](NCCOCC[NH+](C)C)c1ccccc1OC(F)(F)F ZINC000351502447 286137670 /nfs/dbraw/zinc/13/76/70/286137670.db2.gz LFBPYFYYPVCVCM-GFCCVEGCSA-N 1 3 320.355 2.814 20 0 DFADHO Cc1nccn1CCCN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000371205327 150002566 /nfs/dbraw/zinc/00/25/66/150002566.db2.gz QVAXHEDPPPMSMT-IBGZPJMESA-N 1 3 312.461 2.788 20 0 DFADHO Cc1nccn1CCCN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000371205327 150002568 /nfs/dbraw/zinc/00/25/68/150002568.db2.gz QVAXHEDPPPMSMT-IBGZPJMESA-N 1 3 312.461 2.788 20 0 DFADHO Cc1cccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1C ZINC000371470424 150051521 /nfs/dbraw/zinc/05/15/21/150051521.db2.gz LIELCTHPYSIOKH-IPMKNSEASA-N 1 3 302.462 2.987 20 0 DFADHO Cc1cccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1C ZINC000371470421 150051843 /nfs/dbraw/zinc/05/18/43/150051843.db2.gz LIELCTHPYSIOKH-CEXWTWQISA-N 1 3 302.462 2.987 20 0 DFADHO CCCC[C@@H](CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000371474837 150053068 /nfs/dbraw/zinc/05/30/68/150053068.db2.gz MQRQFKGLUNTGMC-MRXNPFEDSA-N 1 3 323.525 2.878 20 0 DFADHO COC(=O)c1ccc(CN2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000374075378 150303582 /nfs/dbraw/zinc/30/35/82/150303582.db2.gz SPLFRYIMDJTTMZ-UHFFFAOYSA-N 1 3 322.474 2.843 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCCc2nc(C)sc21 ZINC000166027089 286198845 /nfs/dbraw/zinc/19/88/45/286198845.db2.gz KIAACUJKLOEDPT-KBPBESRZSA-N 1 3 311.495 2.775 20 0 DFADHO C[N@H+](C[C@H](O)CN1C[C@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722095 286202558 /nfs/dbraw/zinc/20/25/58/286202558.db2.gz WERISGAREPLMFH-ZWKOTPCHSA-N 1 3 302.462 2.567 20 0 DFADHO C[N@@H+](C[C@H](O)CN1C[C@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722095 286202559 /nfs/dbraw/zinc/20/25/59/286202559.db2.gz WERISGAREPLMFH-ZWKOTPCHSA-N 1 3 302.462 2.567 20 0 DFADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000351787808 286218536 /nfs/dbraw/zinc/21/85/36/286218536.db2.gz XGHIEUPBOAPCLF-GOSISDBHSA-N 1 3 323.525 2.831 20 0 DFADHO CC[C@@H](C)CCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000351805892 286222890 /nfs/dbraw/zinc/22/28/90/286222890.db2.gz DCEIUHOCQSGYGR-SJORKVTESA-N 1 3 311.514 2.687 20 0 DFADHO CC[C@@H](C)CCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000351805892 286222893 /nfs/dbraw/zinc/22/28/93/286222893.db2.gz DCEIUHOCQSGYGR-SJORKVTESA-N 1 3 311.514 2.687 20 0 DFADHO CCOC(=O)C1(C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000351914769 286243275 /nfs/dbraw/zinc/24/32/75/286243275.db2.gz DRENRJIZLAOZMJ-RDJZCZTQSA-N 1 3 322.493 2.962 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000352139999 286302242 /nfs/dbraw/zinc/30/22/42/286302242.db2.gz IRXAUKXAZOHSBT-SJORKVTESA-N 1 3 305.466 2.572 20 0 DFADHO CCN(CC)C(=O)CCC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000182552162 158004837 /nfs/dbraw/zinc/00/48/37/158004837.db2.gz XJYIXPKEFRLFJQ-GOSISDBHSA-N 1 3 323.525 2.831 20 0 DFADHO CCN(CC)C(=O)CCC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000182552162 158004838 /nfs/dbraw/zinc/00/48/38/158004838.db2.gz XJYIXPKEFRLFJQ-GOSISDBHSA-N 1 3 323.525 2.831 20 0 DFADHO Cc1cccc2c(NC[C@@H](C)N3CCN(C)CC3)c(C)c[nH+]c12 ZINC000185293151 158052054 /nfs/dbraw/zinc/05/20/54/158052054.db2.gz HMUNUTLTVBUFIJ-MRXNPFEDSA-N 1 3 312.461 2.899 20 0 DFADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccc(OCCN(C)C)cc1 ZINC000246823995 158100299 /nfs/dbraw/zinc/10/02/99/158100299.db2.gz BIAXOSAJVPJZME-RLFYNMQTSA-N 1 3 306.450 2.845 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000247062330 158118383 /nfs/dbraw/zinc/11/83/83/158118383.db2.gz PQIPJPJESQSSIA-NZSAHSFTSA-N 1 3 303.494 2.918 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000247062330 158118385 /nfs/dbraw/zinc/11/83/85/158118385.db2.gz PQIPJPJESQSSIA-NZSAHSFTSA-N 1 3 303.494 2.918 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000247062330 158118386 /nfs/dbraw/zinc/11/83/86/158118386.db2.gz PQIPJPJESQSSIA-NZSAHSFTSA-N 1 3 303.494 2.918 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc(OCCN(C)C)c1 ZINC000247922677 158151429 /nfs/dbraw/zinc/15/14/29/158151429.db2.gz BJLLOCTYMBCGHD-VDZJLULYSA-N 1 3 320.477 2.829 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccccn2)[C@H](C)C1 ZINC000248040394 158159253 /nfs/dbraw/zinc/15/92/53/158159253.db2.gz STGYOIDWDDAEEC-ZACQAIPSSA-N 1 3 305.466 2.869 20 0 DFADHO CCN1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000248067953 158160619 /nfs/dbraw/zinc/16/06/19/158160619.db2.gz ZZOAIRICSVPTKD-FXAWDEMLSA-N 1 3 315.505 2.971 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccccc2C(=O)OC)[C@@H](C)C1 ZINC000248587910 158187187 /nfs/dbraw/zinc/18/71/87/158187187.db2.gz YJTHXAXCOWRMDH-YJBOKZPZSA-N 1 3 318.461 2.678 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCc2ccccc2C(=O)OC)[C@@H](C)C1 ZINC000248587910 158187189 /nfs/dbraw/zinc/18/71/89/158187189.db2.gz YJTHXAXCOWRMDH-YJBOKZPZSA-N 1 3 318.461 2.678 20 0 DFADHO C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248652807 158194522 /nfs/dbraw/zinc/19/45/22/158194522.db2.gz YKPORBWMBCVVTD-AXSXRGJHSA-N 1 3 314.473 2.814 20 0 DFADHO C[C@@H](O)[C@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000248755877 158200510 /nfs/dbraw/zinc/20/05/10/158200510.db2.gz CQPBSZMDDBEHBO-PANBIXPWSA-N 1 3 316.489 2.831 20 0 DFADHO C[C@@H](O)[C@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000248755877 158200514 /nfs/dbraw/zinc/20/05/14/158200514.db2.gz CQPBSZMDDBEHBO-PANBIXPWSA-N 1 3 316.489 2.831 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000248826372 158202678 /nfs/dbraw/zinc/20/26/78/158202678.db2.gz CZNOMDNXQHVUSZ-LFGUQSLTSA-N 1 3 315.505 2.827 20 0 DFADHO C[C@H](c1ccc(F)cc1)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000355072346 158267808 /nfs/dbraw/zinc/26/78/08/158267808.db2.gz RLUUREFUDQDOTB-JKSUJKDBSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@H](c1ccc(F)cc1)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000355072346 158267812 /nfs/dbraw/zinc/26/78/12/158267812.db2.gz RLUUREFUDQDOTB-JKSUJKDBSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@H](c1ccc(F)cc1)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355072346 158267815 /nfs/dbraw/zinc/26/78/15/158267815.db2.gz RLUUREFUDQDOTB-JKSUJKDBSA-N 1 3 319.468 2.987 20 0 DFADHO CCCN1CC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356871718 158317972 /nfs/dbraw/zinc/31/79/72/158317972.db2.gz OVVYGLYFZAAZIQ-AWEZNQCLSA-N 1 3 321.431 2.725 20 0 DFADHO COCCOc1cccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357054501 158356826 /nfs/dbraw/zinc/35/68/26/158356826.db2.gz QFESZGKWXIYHHN-GOSISDBHSA-N 1 3 318.461 2.533 20 0 DFADHO CC[NH2+]CC1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000430568265 296795549 /nfs/dbraw/zinc/79/55/49/296795549.db2.gz FVCHGZYDVXZUNA-GOSISDBHSA-N 1 3 315.461 2.504 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)C[C@H](c2ccccc2)N(C)C)CC1 ZINC000431623488 296843274 /nfs/dbraw/zinc/84/32/74/296843274.db2.gz SSFWKZWYQFUCPC-GOSISDBHSA-N 1 3 317.477 2.668 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC000441350271 297180622 /nfs/dbraw/zinc/18/06/22/297180622.db2.gz HCULDVDWCIYKKO-ZIAGYGMSSA-N 1 3 321.431 2.723 20 0 DFADHO C[C@@H](c1ccc(F)cc1)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371426852 287136000 /nfs/dbraw/zinc/13/60/00/287136000.db2.gz ZHPDZFIZOWFFPF-HNAYVOBHSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@@H](c1ccc(F)cc1)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371426852 287136001 /nfs/dbraw/zinc/13/60/01/287136001.db2.gz ZHPDZFIZOWFFPF-HNAYVOBHSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)CN1CCCCC1 ZINC000315598342 298785961 /nfs/dbraw/zinc/78/59/61/298785961.db2.gz PEKSFNXCSRAJLK-MGPQQGTHSA-N 1 3 308.388 2.808 20 0 DFADHO C[C@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)N(C)C1CC1 ZINC000130729400 196104198 /nfs/dbraw/zinc/10/41/98/196104198.db2.gz YUAYXRVERHOGKT-HZPDHXFCSA-N 1 3 319.493 2.760 20 0 DFADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000314587244 287269137 /nfs/dbraw/zinc/26/91/37/287269137.db2.gz DTAUIBKZRRIWLM-HZSPNIEDSA-N 1 3 308.388 2.950 20 0 DFADHO C[C@H](CSC(C)(C)C)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132957942 196299497 /nfs/dbraw/zinc/29/94/97/196299497.db2.gz JKDNDHAYMFYSPT-CABCVRRESA-N 1 3 314.539 2.997 20 0 DFADHO CCc1ccc([C@@H](C[NH2+][C@H]2CCN(C)[C@H](C)C2)N(C)C)cc1 ZINC000133807148 196337597 /nfs/dbraw/zinc/33/75/97/196337597.db2.gz JJVUHZVLMHHSTC-AYOQOUSVSA-N 1 3 303.494 2.924 20 0 DFADHO CCc1ccc([C@@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000133807148 196337599 /nfs/dbraw/zinc/33/75/99/196337599.db2.gz JJVUHZVLMHHSTC-AYOQOUSVSA-N 1 3 303.494 2.924 20 0 DFADHO CCc1ccc([C@@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000133807148 196337601 /nfs/dbraw/zinc/33/76/01/196337601.db2.gz JJVUHZVLMHHSTC-AYOQOUSVSA-N 1 3 303.494 2.924 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C)C[C@@H]1C)c1ccccc1 ZINC000134021345 196353820 /nfs/dbraw/zinc/35/38/20/196353820.db2.gz ZSASUATUWNNQSX-QXAKKESOSA-N 1 3 303.494 2.999 20 0 DFADHO C[C@H]1C[C@@H](NC[C@@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000134139157 196365155 /nfs/dbraw/zinc/36/51/55/196365155.db2.gz QMLLMNWKHNCOEB-JYJNAYRXSA-N 1 3 307.507 2.957 20 0 DFADHO C[C@H]1C[C@@H](NC[C@@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000134139157 196365157 /nfs/dbraw/zinc/36/51/57/196365157.db2.gz QMLLMNWKHNCOEB-JYJNAYRXSA-N 1 3 307.507 2.957 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)CCN1C ZINC000134139157 196365159 /nfs/dbraw/zinc/36/51/59/196365159.db2.gz QMLLMNWKHNCOEB-JYJNAYRXSA-N 1 3 307.507 2.957 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(Cc2c(C3CC3)cnn2C)CC1 ZINC000667534598 543624835 /nfs/dbraw/zinc/62/48/35/543624835.db2.gz GFUCKSPTRJCKBH-UHFFFAOYSA-N 1 3 304.482 2.850 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(Cc2c(C3CC3)cnn2C)CC1 ZINC000667534598 543624836 /nfs/dbraw/zinc/62/48/36/543624836.db2.gz GFUCKSPTRJCKBH-UHFFFAOYSA-N 1 3 304.482 2.850 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(CN)c2)C1 ZINC000667724022 543667352 /nfs/dbraw/zinc/66/73/52/543667352.db2.gz SHCIUOKGKTWGKH-INIZCTEOSA-N 1 3 318.465 2.635 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(CN)c2)C1 ZINC000667724022 543667353 /nfs/dbraw/zinc/66/73/53/543667353.db2.gz SHCIUOKGKTWGKH-INIZCTEOSA-N 1 3 318.465 2.635 20 0 DFADHO C[NH+](C)CC[C@H](NC(=O)Nc1cccc(CN)c1)C(C)(C)C ZINC000667728363 543668002 /nfs/dbraw/zinc/66/80/02/543668002.db2.gz SAXCOUJREBFVSA-HNNXBMFYSA-N 1 3 306.454 2.633 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792568 543680170 /nfs/dbraw/zinc/68/01/70/543680170.db2.gz CSOVFVJTUHGBPA-WMZOPIPTSA-N 1 3 320.477 2.574 20 0 DFADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792568 543680174 /nfs/dbraw/zinc/68/01/74/543680174.db2.gz CSOVFVJTUHGBPA-WMZOPIPTSA-N 1 3 320.477 2.574 20 0 DFADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792568 543680177 /nfs/dbraw/zinc/68/01/77/543680177.db2.gz CSOVFVJTUHGBPA-WMZOPIPTSA-N 1 3 320.477 2.574 20 0 DFADHO CN(C)[C@@H](CC(=O)NC(C)(C)CCC[NH+](C)C)c1ccccc1 ZINC000668008740 543722093 /nfs/dbraw/zinc/72/20/93/543722093.db2.gz WUNRNPPHZJOLNT-KRWDZBQOSA-N 1 3 319.493 2.916 20 0 DFADHO Cn1ncc(C2CCC2)c1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000668169062 543758089 /nfs/dbraw/zinc/75/80/89/543758089.db2.gz HVBCMARKCLKWDZ-KRWDZBQOSA-N 1 3 316.493 2.851 20 0 DFADHO C[C@H](Cc1ccccc1)CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784678 543866888 /nfs/dbraw/zinc/86/68/88/543866888.db2.gz HNFBHSBZEUMTIR-IEBWSBKVSA-N 1 3 304.478 2.908 20 0 DFADHO C[C@H]1CN(CCN(C)Cc2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000296691351 226128371 /nfs/dbraw/zinc/12/83/71/226128371.db2.gz JVQHJTSBYDDYKI-KRWDZBQOSA-N 1 3 301.478 2.535 20 0 DFADHO C[C@H]1CN(CCN(C)Cc2ccccc2)CC[N@H+](C2CC2)C1 ZINC000296691351 226128377 /nfs/dbraw/zinc/12/83/77/226128377.db2.gz JVQHJTSBYDDYKI-KRWDZBQOSA-N 1 3 301.478 2.535 20 0 DFADHO C[NH+](C)[C@@H]1CCCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000297364873 227070719 /nfs/dbraw/zinc/07/07/19/227070719.db2.gz GBLCUMWIIFHJSO-MOPGFXCFSA-N 1 3 301.478 2.677 20 0 DFADHO CN1CCC(O)(C[NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000291157836 222181533 /nfs/dbraw/zinc/18/15/33/222181533.db2.gz IAOILUDTRWSDHQ-UHFFFAOYSA-N 1 3 302.462 2.891 20 0 DFADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCOc1ccc(C(F)(F)F)cc1 ZINC000442773854 297205506 /nfs/dbraw/zinc/20/55/06/297205506.db2.gz DHEFSXWZFWDGNR-NEPJUHHUSA-N 1 3 302.340 2.753 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCc4c3cccc4F)C2)CC1 ZINC000675871523 544341210 /nfs/dbraw/zinc/34/12/10/544341210.db2.gz FLSZNBCIFXBRQZ-LIRRHRJNSA-N 1 3 317.452 2.571 20 0 DFADHO COc1ccccc1OCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677242382 544457707 /nfs/dbraw/zinc/45/77/07/544457707.db2.gz ZMNZEIIKKAAOJE-CVEARBPZSA-N 1 3 304.434 2.681 20 0 DFADHO COc1ccccc1OCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677242382 544457712 /nfs/dbraw/zinc/45/77/12/544457712.db2.gz ZMNZEIIKKAAOJE-CVEARBPZSA-N 1 3 304.434 2.681 20 0 DFADHO Cc1nccn1CC[N@@H+]1CCCN(Cc2ccccc2C)CC1 ZINC000677983343 544575571 /nfs/dbraw/zinc/57/55/71/544575571.db2.gz XNZCJORVYSRNTL-UHFFFAOYSA-N 1 3 312.461 2.708 20 0 DFADHO Cc1nccn1CC[N@H+]1CCCN(Cc2ccccc2C)CC1 ZINC000677983343 544575575 /nfs/dbraw/zinc/57/55/75/544575575.db2.gz XNZCJORVYSRNTL-UHFFFAOYSA-N 1 3 312.461 2.708 20 0 DFADHO C[NH+](C)CCOC1CCN(Cc2nccc3ccccc32)CC1 ZINC000678260908 544635660 /nfs/dbraw/zinc/63/56/60/544635660.db2.gz JQGIWHBFKKPISF-UHFFFAOYSA-N 1 3 313.445 2.777 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCc3nccn3C2)CC1 ZINC000679025427 544769522 /nfs/dbraw/zinc/76/95/22/544769522.db2.gz SCMMXQQPRSZFPC-BPQIPLTHSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCc3nccn3C2)CC1 ZINC000679025427 544769525 /nfs/dbraw/zinc/76/95/25/544769525.db2.gz SCMMXQQPRSZFPC-BPQIPLTHSA-N 1 3 316.493 2.831 20 0 DFADHO CCc1nc2ccccc2n1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000679024733 544769822 /nfs/dbraw/zinc/76/98/22/544769822.db2.gz JHBRDHSETVJWNO-CVEARBPZSA-N 1 3 312.461 2.815 20 0 DFADHO CCc1nc2ccccc2n1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000679024733 544769826 /nfs/dbraw/zinc/76/98/26/544769826.db2.gz JHBRDHSETVJWNO-CVEARBPZSA-N 1 3 312.461 2.815 20 0 DFADHO COc1ccccc1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000679536222 544867408 /nfs/dbraw/zinc/86/74/08/544867408.db2.gz GEPBSFCQRYBDBR-UHFFFAOYSA-N 1 3 311.429 2.845 20 0 DFADHO COc1ccc2c(c1)CC[C@H](N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000680333506 544992740 /nfs/dbraw/zinc/99/27/40/544992740.db2.gz CSUGFWDWAUEKRU-OKZBNKHCSA-N 1 3 300.446 2.769 20 0 DFADHO COc1ccc2c(c1)CC[C@H](N[C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000680333506 544992742 /nfs/dbraw/zinc/99/27/42/544992742.db2.gz CSUGFWDWAUEKRU-OKZBNKHCSA-N 1 3 300.446 2.769 20 0 DFADHO COc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCN3CCC[C@@H]3C1)C2 ZINC000680333506 544992743 /nfs/dbraw/zinc/99/27/43/544992743.db2.gz CSUGFWDWAUEKRU-OKZBNKHCSA-N 1 3 300.446 2.769 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000155609096 425923038 /nfs/dbraw/zinc/92/30/38/425923038.db2.gz FDCYVPQANKLEAT-KBPBESRZSA-N 1 3 311.420 2.641 20 0 DFADHO CC[C@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1ccccc1OC ZINC000155723116 425925231 /nfs/dbraw/zinc/92/52/31/425925231.db2.gz NIVGDDMGGDCQRI-WMZOPIPTSA-N 1 3 319.493 2.762 20 0 DFADHO CC[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC)N(C)C ZINC000124673372 425932411 /nfs/dbraw/zinc/93/24/11/425932411.db2.gz RYSQQWZDVDBHSP-DLBZAZTESA-N 1 3 305.466 2.526 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000046374551 425864948 /nfs/dbraw/zinc/86/49/48/425864948.db2.gz YEXPGMMCRWTPCQ-OAHLLOKOSA-N 1 3 318.465 2.744 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000046374551 425864949 /nfs/dbraw/zinc/86/49/49/425864949.db2.gz YEXPGMMCRWTPCQ-OAHLLOKOSA-N 1 3 318.465 2.744 20 0 DFADHO Clc1cccc(N2CCN(CCC3CC[NH2+]CC3)CC2)c1 ZINC000036156146 425845436 /nfs/dbraw/zinc/84/54/36/425845436.db2.gz DFQOVIGMUFKTAV-UHFFFAOYSA-N 1 3 307.869 2.852 20 0 DFADHO COC(=O)C1CCC([NH2+]C[C@@H]2CCCN(CC(C)C)C2)CC1 ZINC000192445917 268036386 /nfs/dbraw/zinc/03/63/86/268036386.db2.gz XBVQPMXPKWXJOI-GTPINHCMSA-N 1 3 310.482 2.676 20 0 DFADHO COc1cccc2c1CC[C@H]([NH2+]C[C@@H](C)CN1CCCC1)C2 ZINC000192439648 268036840 /nfs/dbraw/zinc/03/68/40/268036840.db2.gz FOHGIORUVSSXPL-WBVHZDCISA-N 1 3 302.462 2.874 20 0 DFADHO COC(=O)C1CCC([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000192447613 268036875 /nfs/dbraw/zinc/03/68/75/268036875.db2.gz HOAWIOJSNXMQNK-KZYLPZIUSA-N 1 3 322.493 2.961 20 0 DFADHO C[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[C@H]1O ZINC000250123766 268168024 /nfs/dbraw/zinc/16/80/24/268168024.db2.gz VXMSVTMMXLLFKO-FUHWJXTLSA-N 1 3 304.478 2.847 20 0 DFADHO C[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@H]1O ZINC000250123766 268168027 /nfs/dbraw/zinc/16/80/27/268168027.db2.gz VXMSVTMMXLLFKO-FUHWJXTLSA-N 1 3 304.478 2.847 20 0 DFADHO Cc1nccn1CC[N@H+]1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000270698799 268202803 /nfs/dbraw/zinc/20/28/03/268202803.db2.gz ZQJZDITZXNRYON-KRWDZBQOSA-N 1 3 312.461 2.788 20 0 DFADHO Cc1nccn1CC[N@@H+]1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000270698799 268202805 /nfs/dbraw/zinc/20/28/05/268202805.db2.gz ZQJZDITZXNRYON-KRWDZBQOSA-N 1 3 312.461 2.788 20 0 DFADHO C[C@H]1C[C@@H](NCCc2nc(-c3ccncc3)cs2)CC[N@@H+]1C ZINC000271520309 268249819 /nfs/dbraw/zinc/24/98/19/268249819.db2.gz QDGHUNVNTCRRRE-ZFWWWQNUSA-N 1 3 316.474 2.820 20 0 DFADHO C[C@H]1C[C@@H](NCCc2nc(-c3ccncc3)cs2)CC[N@H+]1C ZINC000271520309 268249823 /nfs/dbraw/zinc/24/98/23/268249823.db2.gz QDGHUNVNTCRRRE-ZFWWWQNUSA-N 1 3 316.474 2.820 20 0 DFADHO O[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)Cc1ccccc1 ZINC000305136535 268330131 /nfs/dbraw/zinc/33/01/31/268330131.db2.gz OSJIDQYHYUPBLG-HXUWFJFHSA-N 1 3 316.489 2.977 20 0 DFADHO CC[C@H](C(=O)NC[C@H](c1ccsc1)N(CC)CC)[NH+](C)C ZINC000124790922 425938553 /nfs/dbraw/zinc/93/85/53/425938553.db2.gz MNWOXFUCLJDKOC-HUUCEWRRSA-N 1 3 311.495 2.587 20 0 DFADHO CC1CC[NH+](CCCCN[C@@H]2CCCc3c2cnn3C)CC1 ZINC000158206557 425940702 /nfs/dbraw/zinc/94/07/02/425940702.db2.gz QRZCMGQWPQAXHP-QGZVFWFLSA-N 1 3 304.482 2.899 20 0 DFADHO FC(F)(F)COCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000159336847 425958990 /nfs/dbraw/zinc/95/89/90/425958990.db2.gz VWBZKYNLMUJSMA-UHFFFAOYSA-N 1 3 308.388 2.952 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccccc2Cl)C1 ZINC000070174124 425968666 /nfs/dbraw/zinc/96/86/66/425968666.db2.gz GMBUBVOVNHVZNV-OLZOCXBDSA-N 1 3 309.841 2.728 20 0 DFADHO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126654934 426030423 /nfs/dbraw/zinc/03/04/23/426030423.db2.gz FVRGPQHLKHCLSC-SJORKVTESA-N 1 3 303.494 2.958 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000126827889 426038785 /nfs/dbraw/zinc/03/87/85/426038785.db2.gz XZRGRBGNKKMGIW-RYRKJORJSA-N 1 3 321.534 2.890 20 0 DFADHO CC[C@@](C)(O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000162211622 426057048 /nfs/dbraw/zinc/05/70/48/426057048.db2.gz GLRFRCWAFINZOG-GOSISDBHSA-N 1 3 305.466 2.781 20 0 DFADHO CC[C@@](C)(O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000162211622 426057050 /nfs/dbraw/zinc/05/70/50/426057050.db2.gz GLRFRCWAFINZOG-GOSISDBHSA-N 1 3 305.466 2.781 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000075860699 426088649 /nfs/dbraw/zinc/08/86/49/426088649.db2.gz XLODDOMUMLDTFT-KRWDZBQOSA-N 1 3 321.440 2.961 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000075860699 426088650 /nfs/dbraw/zinc/08/86/50/426088650.db2.gz XLODDOMUMLDTFT-KRWDZBQOSA-N 1 3 321.440 2.961 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)C1 ZINC000163223377 426093174 /nfs/dbraw/zinc/09/31/74/426093174.db2.gz DZPXPUAGGRHCAQ-RHSMWYFYSA-N 1 3 304.434 2.840 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000163234701 426093371 /nfs/dbraw/zinc/09/33/71/426093371.db2.gz WCGFCDCZVMAXAB-UONOGXRCSA-N 1 3 315.461 2.909 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCCOC)cc2)C1 ZINC000163241413 426094017 /nfs/dbraw/zinc/09/40/17/426094017.db2.gz NTSFWCVSBZYTRF-JKSUJKDBSA-N 1 3 306.450 2.704 20 0 DFADHO N[C@H](CC(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000163278396 426095628 /nfs/dbraw/zinc/09/56/28/426095628.db2.gz MGNPDFMKKBBJFG-QGZVFWFLSA-N 1 3 303.450 2.505 20 0 DFADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128277791 426109635 /nfs/dbraw/zinc/10/96/35/426109635.db2.gz LDOWLQIASHMEMA-ROUUACIJSA-N 1 3 303.494 2.796 20 0 DFADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1ccc(F)cc1F ZINC000128298538 426111303 /nfs/dbraw/zinc/11/13/03/426111303.db2.gz WXKSRXVCAGRDIX-CQSZACIVSA-N 1 3 311.420 2.643 20 0 DFADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1ccc(F)cc1F ZINC000128298538 426111305 /nfs/dbraw/zinc/11/13/05/426111305.db2.gz WXKSRXVCAGRDIX-CQSZACIVSA-N 1 3 311.420 2.643 20 0 DFADHO CN(C)C[C@@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000113515873 426117178 /nfs/dbraw/zinc/11/71/78/426117178.db2.gz ZMAKKIXMSHAQRJ-ZDUSSCGKSA-N 1 3 320.462 2.614 20 0 DFADHO CN(C)C[C@@H]1CC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000113515873 426117180 /nfs/dbraw/zinc/11/71/80/426117180.db2.gz ZMAKKIXMSHAQRJ-ZDUSSCGKSA-N 1 3 320.462 2.614 20 0 DFADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1cccc(Cl)c1 ZINC000128492204 426120613 /nfs/dbraw/zinc/12/06/13/426120613.db2.gz AXINEVPDXFTGHI-OAHLLOKOSA-N 1 3 311.857 2.974 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000166004325 426125576 /nfs/dbraw/zinc/12/55/76/426125576.db2.gz BAXICSDNZRGBQE-LRDDRELGSA-N 1 3 300.393 2.972 20 0 DFADHO CCN(CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000114455064 426136540 /nfs/dbraw/zinc/13/65/40/426136540.db2.gz BKHIUFOJZMDLOF-UHFFFAOYSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H](C[NH2+]CCCCN1CCN(C)CC1)c1ccc(F)cc1 ZINC000127589496 426075348 /nfs/dbraw/zinc/07/53/48/426075348.db2.gz NEYZWQLBMURRAX-INIZCTEOSA-N 1 3 307.457 2.546 20 0 DFADHO C[C@H]1C[C@@H](NCCc2ccn(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000127677344 426080665 /nfs/dbraw/zinc/08/06/65/426080665.db2.gz PBFKLRNBKXCMFS-YOEHRIQHSA-N 1 3 316.424 2.626 20 0 DFADHO C[C@H]1C[C@@H](NCCc2ccn(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC000127677344 426080667 /nfs/dbraw/zinc/08/06/67/426080667.db2.gz PBFKLRNBKXCMFS-YOEHRIQHSA-N 1 3 316.424 2.626 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)C[C@@H]2C)CCN1Cc1ccccc1 ZINC000129608969 426139987 /nfs/dbraw/zinc/13/99/87/426139987.db2.gz LKWZEJBIGSLATK-ONCXSQPRSA-N 1 3 315.505 2.969 20 0 DFADHO CC1CC[NH+](CCN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000134906686 426200192 /nfs/dbraw/zinc/20/01/92/426200192.db2.gz BFLLMVVMAHLTGP-IEBWSBKVSA-N 1 3 305.510 2.667 20 0 DFADHO C[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000175004203 426273777 /nfs/dbraw/zinc/27/37/77/426273777.db2.gz UHRBKIQXRTXHQJ-XHSDSOJGSA-N 1 3 321.509 2.771 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000118965479 426252194 /nfs/dbraw/zinc/25/21/94/426252194.db2.gz YRAGCCDGMCXHQU-DKKFBQAASA-N 1 3 303.494 2.916 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000118965479 426252198 /nfs/dbraw/zinc/25/21/98/426252198.db2.gz YRAGCCDGMCXHQU-DKKFBQAASA-N 1 3 303.494 2.916 20 0 DFADHO Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)N(C)C)cc1 ZINC000118965479 426252200 /nfs/dbraw/zinc/25/22/00/426252200.db2.gz YRAGCCDGMCXHQU-DKKFBQAASA-N 1 3 303.494 2.916 20 0 DFADHO COCc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000174315741 426253625 /nfs/dbraw/zinc/25/36/25/426253625.db2.gz AXJOONMCWKPEKM-IRXDYDNUSA-N 1 3 320.477 2.812 20 0 DFADHO Cc1ccc(C)c([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c1 ZINC000150960565 426269393 /nfs/dbraw/zinc/26/93/93/426269393.db2.gz UHMWOLDOAOZXFE-KRWDZBQOSA-N 1 3 303.494 2.980 20 0 DFADHO N[C@H](CC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000119544325 426295971 /nfs/dbraw/zinc/29/59/71/426295971.db2.gz UDUFXGAKWDJMLP-ZWKOTPCHSA-N 1 3 315.461 2.553 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccccn2)[C@H](C)C1 ZINC000152351225 426340212 /nfs/dbraw/zinc/34/02/12/426340212.db2.gz STGYOIDWDDAEEC-IKGGRYGDSA-N 1 3 305.466 2.869 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000090585193 426329470 /nfs/dbraw/zinc/32/94/70/426329470.db2.gz NVRRXPYLBQOPSF-DLBZAZTESA-N 1 3 311.514 2.591 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585193 426329471 /nfs/dbraw/zinc/32/94/71/426329471.db2.gz NVRRXPYLBQOPSF-DLBZAZTESA-N 1 3 311.514 2.591 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000090585193 426329474 /nfs/dbraw/zinc/32/94/74/426329474.db2.gz NVRRXPYLBQOPSF-DLBZAZTESA-N 1 3 311.514 2.591 20 0 DFADHO C[NH+](C)CCOc1cc(CN[C@@H]2CCc3ccccc32)ccn1 ZINC000090936937 426333367 /nfs/dbraw/zinc/33/33/67/426333367.db2.gz QLLCVACJLNNHFD-GOSISDBHSA-N 1 3 311.429 2.799 20 0 DFADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccs1 ZINC000090937318 426334755 /nfs/dbraw/zinc/33/47/55/426334755.db2.gz VUWDNIZGOYAGML-CYBMUJFWSA-N 1 3 305.447 2.934 20 0 DFADHO Cc1ccc(N2CCCN(CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000119357675 426282019 /nfs/dbraw/zinc/28/20/19/426282019.db2.gz WWTDPOKLYJOJTN-SFHVURJKSA-N 1 3 301.478 2.991 20 0 DFADHO Cc1ccc(N2CCCN(CC[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000119357675 426282021 /nfs/dbraw/zinc/28/20/21/426282021.db2.gz WWTDPOKLYJOJTN-SFHVURJKSA-N 1 3 301.478 2.991 20 0 DFADHO Cc1ccc(N2CCC[N@@H+](CC[C@@H]3CCCN3C)CC2)cc1 ZINC000119357675 426282023 /nfs/dbraw/zinc/28/20/23/426282023.db2.gz WWTDPOKLYJOJTN-SFHVURJKSA-N 1 3 301.478 2.991 20 0 DFADHO Cc1ccc(N2CCC[N@H+](CC[C@@H]3CCCN3C)CC2)cc1 ZINC000119357675 426282024 /nfs/dbraw/zinc/28/20/24/426282024.db2.gz WWTDPOKLYJOJTN-SFHVURJKSA-N 1 3 301.478 2.991 20 0 DFADHO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000151183912 426282939 /nfs/dbraw/zinc/28/29/39/426282939.db2.gz PQZVCUXJTARPDQ-RDJZCZTQSA-N 1 3 308.466 2.685 20 0 DFADHO CSC[C@](C)(O)CNC1CC[NH+](CC2CCCCC2)CC1 ZINC000153649949 426396325 /nfs/dbraw/zinc/39/63/25/426396325.db2.gz MEOSDZHJUSYULJ-QGZVFWFLSA-N 1 3 314.539 2.735 20 0 DFADHO CSC[C@](C)(O)C[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000153649949 426396329 /nfs/dbraw/zinc/39/63/29/426396329.db2.gz MEOSDZHJUSYULJ-QGZVFWFLSA-N 1 3 314.539 2.735 20 0 DFADHO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000152408996 426341651 /nfs/dbraw/zinc/34/16/51/426341651.db2.gz RQEUDFLSYXFNCZ-PBHICJAKSA-N 1 3 316.445 2.983 20 0 DFADHO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000152408996 426341652 /nfs/dbraw/zinc/34/16/52/426341652.db2.gz RQEUDFLSYXFNCZ-PBHICJAKSA-N 1 3 316.445 2.983 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)[C@@H]1CCCO1 ZINC000152845815 426357768 /nfs/dbraw/zinc/35/77/68/426357768.db2.gz BIAXOSAJVPJZME-DAYGRLMNSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000122159637 426361922 /nfs/dbraw/zinc/36/19/22/426361922.db2.gz OANSUNDQWSSHDC-QAPCUYQASA-N 1 3 315.461 2.624 20 0 DFADHO CC[C@H]1CN(CCC(=O)Nc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000122747674 426391850 /nfs/dbraw/zinc/39/18/50/426391850.db2.gz VVZJIJSEHUDKRY-JSGCOSHPSA-N 1 3 309.841 2.728 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)[C@H](C)N2CCCCCC2)c1 ZINC000123092762 426413760 /nfs/dbraw/zinc/41/37/60/426413760.db2.gz LUMGTMUFPCEUGM-HNNXBMFYSA-N 1 3 303.450 2.999 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3ccc(C)cc32)CC1 ZINC000154301052 426434295 /nfs/dbraw/zinc/43/42/95/426434295.db2.gz KBRAIUFYMNEOEP-LJQANCHMSA-N 1 3 301.478 2.600 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000154294497 426434443 /nfs/dbraw/zinc/43/44/43/426434443.db2.gz YKMNKGHGMMXOAU-GOSISDBHSA-N 1 3 317.477 2.518 20 0 DFADHO CCC(CC)NC(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123478359 426436297 /nfs/dbraw/zinc/43/62/97/426436297.db2.gz ZWJFQRIOQQKURS-HNNXBMFYSA-N 1 3 311.514 2.734 20 0 DFADHO COC(=O)c1oc([C@@H](C)N2CCC(C[NH+](C)C)CC2)cc1C ZINC000340762991 269008401 /nfs/dbraw/zinc/00/84/01/269008401.db2.gz DJSJOJHCAJGSGW-CYBMUJFWSA-N 1 3 308.422 2.709 20 0 DFADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000123753153 426451847 /nfs/dbraw/zinc/45/18/47/426451847.db2.gz WLTXRSXDCWFYQE-QGZVFWFLSA-N 1 3 316.493 2.905 20 0 DFADHO CN(Cc1cc(Cl)c2c(c1)OCCO2)CC1CC[NH+](C)CC1 ZINC000154721229 426451967 /nfs/dbraw/zinc/45/19/67/426451967.db2.gz DTDPVHZSDGSOSZ-UHFFFAOYSA-N 1 3 324.852 2.885 20 0 DFADHO CN1CCC(C[N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000154721229 426451969 /nfs/dbraw/zinc/45/19/69/426451969.db2.gz DTDPVHZSDGSOSZ-UHFFFAOYSA-N 1 3 324.852 2.885 20 0 DFADHO CN1CCC(C[N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000154721229 426451973 /nfs/dbraw/zinc/45/19/73/426451973.db2.gz DTDPVHZSDGSOSZ-UHFFFAOYSA-N 1 3 324.852 2.885 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000177216877 426455000 /nfs/dbraw/zinc/45/50/00/426455000.db2.gz SHXHNFMVYGMDPI-JKSUJKDBSA-N 1 3 309.498 2.630 20 0 DFADHO CC1(C)CC([NH2+]C2CCN(c3ccccn3)CC2)CC(C)(C)N1 ZINC000124027054 426466255 /nfs/dbraw/zinc/46/62/55/426466255.db2.gz GPWUDDCAKXKSQS-UHFFFAOYSA-N 1 3 316.493 2.949 20 0 DFADHO C[NH+]1CCC(NCCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000177320318 426467907 /nfs/dbraw/zinc/46/79/07/426467907.db2.gz BMRSSACCBRBDQZ-UHFFFAOYSA-N 1 3 320.824 2.616 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC000155526810 426473567 /nfs/dbraw/zinc/47/35/67/426473567.db2.gz QGSSAEQFXZZQPR-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC000155526810 426473571 /nfs/dbraw/zinc/47/35/71/426473571.db2.gz QGSSAEQFXZZQPR-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000124380869 426482262 /nfs/dbraw/zinc/48/22/62/426482262.db2.gz HZKHQUCHEIXNPG-KBPBESRZSA-N 1 3 304.434 2.839 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(CN(C)C)c2)[C@@H]1C ZINC000280161709 426509568 /nfs/dbraw/zinc/50/95/68/426509568.db2.gz FQRBARLHPNCABI-JLSDUUJJSA-N 1 3 318.461 2.816 20 0 DFADHO OCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000272498595 426539669 /nfs/dbraw/zinc/53/96/69/426539669.db2.gz NQXOYQPRFCTPEZ-HKUYNNGSSA-N 1 3 300.446 2.628 20 0 DFADHO OCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000272498595 426539674 /nfs/dbraw/zinc/53/96/74/426539674.db2.gz NQXOYQPRFCTPEZ-HKUYNNGSSA-N 1 3 300.446 2.628 20 0 DFADHO Cc1nccn1CCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280325739 426548933 /nfs/dbraw/zinc/54/89/33/426548933.db2.gz GXULQIAKBCWULN-BGYRXZFFSA-N 1 3 324.472 2.645 20 0 DFADHO Cc1nccn1CCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280325739 426548940 /nfs/dbraw/zinc/54/89/40/426548940.db2.gz GXULQIAKBCWULN-BGYRXZFFSA-N 1 3 324.472 2.645 20 0 DFADHO Cc1nccn1CCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280325739 426548945 /nfs/dbraw/zinc/54/89/45/426548945.db2.gz GXULQIAKBCWULN-BGYRXZFFSA-N 1 3 324.472 2.645 20 0 DFADHO Cc1nccn1CCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280325739 426548948 /nfs/dbraw/zinc/54/89/48/426548948.db2.gz GXULQIAKBCWULN-BGYRXZFFSA-N 1 3 324.472 2.645 20 0 DFADHO CCO[C@H]1C[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C12CCOCC2 ZINC000186211965 426494142 /nfs/dbraw/zinc/49/41/42/426494142.db2.gz FWLYRCDMLBQOOU-HOTGVXAUSA-N 1 3 324.509 2.859 20 0 DFADHO CCO[C@H]1C[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C12CCOCC2 ZINC000186211965 426494145 /nfs/dbraw/zinc/49/41/45/426494145.db2.gz FWLYRCDMLBQOOU-HOTGVXAUSA-N 1 3 324.509 2.859 20 0 DFADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000186321349 426504277 /nfs/dbraw/zinc/50/42/77/426504277.db2.gz FSNRUUGKPDLDJO-AITUJVMLSA-N 1 3 301.478 2.894 20 0 DFADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000186321349 426504282 /nfs/dbraw/zinc/50/42/82/426504282.db2.gz FSNRUUGKPDLDJO-AITUJVMLSA-N 1 3 301.478 2.894 20 0 DFADHO Cc1nc(C)c([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)s1 ZINC000178469103 426634905 /nfs/dbraw/zinc/63/49/05/426634905.db2.gz IJBAEDKICPOTKY-UKRRQHHQSA-N 1 3 323.506 2.911 20 0 DFADHO Cc1nc(C)c([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)s1 ZINC000178469113 426635593 /nfs/dbraw/zinc/63/55/93/426635593.db2.gz IJBAEDKICPOTKY-DZGCQCFKSA-N 1 3 323.506 2.911 20 0 DFADHO Cc1ccc([C@H]2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)C2)c(C)c1 ZINC000289482437 426666537 /nfs/dbraw/zinc/66/65/37/426666537.db2.gz YDPLYVPJYRGLON-WMZOPIPTSA-N 1 3 302.462 2.548 20 0 DFADHO Cc1ccc([C@H]2CCN(C[C@@H](O)C[N@H+](C)C3CC3)C2)c(C)c1 ZINC000289482437 426666540 /nfs/dbraw/zinc/66/65/40/426666540.db2.gz YDPLYVPJYRGLON-WMZOPIPTSA-N 1 3 302.462 2.548 20 0 DFADHO C[C@@H](CNC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000187708624 426687330 /nfs/dbraw/zinc/68/73/30/426687330.db2.gz JTDGSJBXZSKANX-WMLDXEAASA-N 1 3 310.869 2.880 20 0 DFADHO CC(C)(C)[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000236706134 426679260 /nfs/dbraw/zinc/67/92/60/426679260.db2.gz JFXJYWNTQNWZHX-MRXNPFEDSA-N 1 3 303.450 2.637 20 0 DFADHO COC(=O)CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000178716285 426680997 /nfs/dbraw/zinc/68/09/97/426680997.db2.gz YPTDHVBSZOZKGH-NVXWUHKLSA-N 1 3 304.434 2.534 20 0 DFADHO COC(=O)CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000178716285 426681001 /nfs/dbraw/zinc/68/10/01/426681001.db2.gz YPTDHVBSZOZKGH-NVXWUHKLSA-N 1 3 304.434 2.534 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000236763822 426684339 /nfs/dbraw/zinc/68/43/39/426684339.db2.gz VBGZLLWFJHBSHL-YJBOKZPZSA-N 1 3 317.477 2.518 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000236763822 426684343 /nfs/dbraw/zinc/68/43/43/426684343.db2.gz VBGZLLWFJHBSHL-YJBOKZPZSA-N 1 3 317.477 2.518 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000236767630 426684514 /nfs/dbraw/zinc/68/45/14/426684514.db2.gz XIDRIGNKGBXTGQ-QAPCUYQASA-N 1 3 317.477 2.661 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000236767630 426684518 /nfs/dbraw/zinc/68/45/18/426684518.db2.gz XIDRIGNKGBXTGQ-QAPCUYQASA-N 1 3 317.477 2.661 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000178410778 426624311 /nfs/dbraw/zinc/62/43/11/426624311.db2.gz YZHUGKKNUDCABR-VFNWGFHPSA-N 1 3 308.491 2.951 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000178410792 426625119 /nfs/dbraw/zinc/62/51/19/426625119.db2.gz YZHUGKKNUDCABR-YCRPNKLZSA-N 1 3 308.491 2.951 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(OCCN(C)C)cc1 ZINC000178424465 426627440 /nfs/dbraw/zinc/62/74/40/426627440.db2.gz RNKGRCJZWNNTNJ-HZPDHXFCSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000280939822 426689320 /nfs/dbraw/zinc/68/93/20/426689320.db2.gz ISJYUGDBFLQYQW-MAUKXSAKSA-N 1 3 320.477 2.829 20 0 DFADHO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000290145208 426703168 /nfs/dbraw/zinc/70/31/68/426703168.db2.gz KYBJVUJHGOXVDX-POGZOPGASA-N 1 3 302.462 2.910 20 0 DFADHO COCC[NH+]1CCC(N[C@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000281233507 426707322 /nfs/dbraw/zinc/70/73/22/426707322.db2.gz MNGRQBKDJCTDCZ-KRWDZBQOSA-N 1 3 322.424 2.522 20 0 DFADHO C[C@H]1C[C@@H](NC(=O)CCCCCC[NH3+])CN1Cc1ccccc1 ZINC000237539910 426694597 /nfs/dbraw/zinc/69/45/97/426694597.db2.gz UXZZMEKYUTWUKY-FUHWJXTLSA-N 1 3 317.477 2.675 20 0 DFADHO [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000237970354 426701091 /nfs/dbraw/zinc/70/10/91/426701091.db2.gz HMIVYXREFMDOIV-IBGZPJMESA-N 1 3 323.440 2.540 20 0 DFADHO COC(=O)C1(C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000188676325 426777564 /nfs/dbraw/zinc/77/75/64/426777564.db2.gz GYKBEFPXLZPAKZ-GDBMZVCRSA-N 1 3 308.466 2.572 20 0 DFADHO C[C@@H](c1cccnc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266791717 426778452 /nfs/dbraw/zinc/77/84/52/426778452.db2.gz ZVWOJUVVYONODW-INIZCTEOSA-N 1 3 303.450 2.719 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C1(C)C ZINC000245949669 426787707 /nfs/dbraw/zinc/78/77/07/426787707.db2.gz WHIHQPXGKCRYKE-WCXIOVBPSA-N 1 3 312.498 2.669 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000290288729 426732593 /nfs/dbraw/zinc/73/25/93/426732593.db2.gz MQVDOLPGWFWASM-MANSERQUSA-N 1 3 300.446 2.666 20 0 DFADHO Cc1cc(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000274355045 426750400 /nfs/dbraw/zinc/75/04/00/426750400.db2.gz LPAFUGNXXMYVHU-IYBDPMFKSA-N 1 3 303.450 2.716 20 0 DFADHO Cc1cc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc[nH+]1 ZINC000274355044 426750825 /nfs/dbraw/zinc/75/08/25/426750825.db2.gz LPAFUGNXXMYVHU-HZPDHXFCSA-N 1 3 303.450 2.716 20 0 DFADHO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000281955065 426800738 /nfs/dbraw/zinc/80/07/38/426800738.db2.gz ARRZGETVVPWOBK-MJGOQNOKSA-N 1 3 320.477 2.922 20 0 DFADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000290658103 426813926 /nfs/dbraw/zinc/81/39/26/426813926.db2.gz ZLWRQWXAJOGLHL-QGZVFWFLSA-N 1 3 316.445 2.622 20 0 DFADHO CC(C)(O)c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000274734222 426825961 /nfs/dbraw/zinc/82/59/61/426825961.db2.gz CUPJFBSYROTXIR-UHFFFAOYSA-N 1 3 302.462 2.878 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1COC2(CCCCCC2)O1 ZINC000180010751 426831146 /nfs/dbraw/zinc/83/11/46/426831146.db2.gz NAYABOAAYANNEZ-VQHPVUNQSA-N 1 3 310.482 2.771 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1COC2(CCCCCC2)O1 ZINC000180010751 426831151 /nfs/dbraw/zinc/83/11/51/426831151.db2.gz NAYABOAAYANNEZ-VQHPVUNQSA-N 1 3 310.482 2.771 20 0 DFADHO CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180165315 426841102 /nfs/dbraw/zinc/84/11/02/426841102.db2.gz MBEMJSNVAZOCAI-VNTMZGSJSA-N 1 3 316.489 2.894 20 0 DFADHO C[C@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)cc1 ZINC000282232152 426858311 /nfs/dbraw/zinc/85/83/11/426858311.db2.gz FPLHKEPTGOZOIG-OAHLLOKOSA-N 1 3 307.457 2.545 20 0 DFADHO C[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000275786284 426919665 /nfs/dbraw/zinc/91/96/65/426919665.db2.gz IMRSDZMNPPACIW-XHSDSOJGSA-N 1 3 317.477 2.991 20 0 DFADHO CSC[C@](C)(O)CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000305127902 426884066 /nfs/dbraw/zinc/88/40/66/426884066.db2.gz LXRXNFNJVYGKGQ-BHYGNILZSA-N 1 3 314.539 2.733 20 0 DFADHO CSC[C@](C)(O)C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000305127902 426884074 /nfs/dbraw/zinc/88/40/74/426884074.db2.gz LXRXNFNJVYGKGQ-BHYGNILZSA-N 1 3 314.539 2.733 20 0 DFADHO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccccc1CCN(C)C ZINC000275651507 426884945 /nfs/dbraw/zinc/88/49/45/426884945.db2.gz MXDSDKZSUHMITG-HNNXBMFYSA-N 1 3 320.481 2.643 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1cccc(OCCN(C)C)c1 ZINC000305157195 426890200 /nfs/dbraw/zinc/89/02/00/426890200.db2.gz QKEIUKJOZGWAOS-JZXOWHBKSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(OCCN(C)C)cc1 ZINC000247059528 426897656 /nfs/dbraw/zinc/89/76/56/426897656.db2.gz MMHPGVMYPWWOBN-JFIYKMOQSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)N1CCCCCC1 ZINC000275693476 426899262 /nfs/dbraw/zinc/89/92/62/426899262.db2.gz WLZHAHZJFWXCEW-MRXNPFEDSA-N 1 3 317.477 2.994 20 0 DFADHO CCOc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282417676 426907298 /nfs/dbraw/zinc/90/72/98/426907298.db2.gz SKAYTHRUWYRZFJ-INIZCTEOSA-N 1 3 319.493 2.762 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000247172398 426911771 /nfs/dbraw/zinc/91/17/71/426911771.db2.gz YRAGCCDGMCXHQU-RWQQGDIJSA-N 1 3 303.494 2.916 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000247172398 426911780 /nfs/dbraw/zinc/91/17/80/426911780.db2.gz YRAGCCDGMCXHQU-RWQQGDIJSA-N 1 3 303.494 2.916 20 0 DFADHO Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)N(C)C)cc1 ZINC000247172398 426911788 /nfs/dbraw/zinc/91/17/88/426911788.db2.gz YRAGCCDGMCXHQU-RWQQGDIJSA-N 1 3 303.494 2.916 20 0 DFADHO COc1cccc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)c1 ZINC000283146096 426963887 /nfs/dbraw/zinc/96/38/87/426963887.db2.gz CCGJTFQBJRIHGP-KRWDZBQOSA-N 1 3 319.493 2.762 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1cccc(F)c1)N(C)C ZINC000248048318 426973906 /nfs/dbraw/zinc/97/39/06/426973906.db2.gz VVEHBQKUZZQMJP-KJWYOANISA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1cccc(F)c1)N(C)C ZINC000248048318 426973910 /nfs/dbraw/zinc/97/39/10/426973910.db2.gz VVEHBQKUZZQMJP-KJWYOANISA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000248048318 426973914 /nfs/dbraw/zinc/97/39/14/426973914.db2.gz VVEHBQKUZZQMJP-KJWYOANISA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1C[C@@H](N[C@H](CN2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000248043564 426974842 /nfs/dbraw/zinc/97/48/42/426974842.db2.gz UIOLLRAPUQZPBS-NZSAHSFTSA-N 1 3 301.478 2.896 20 0 DFADHO C[C@@H]1C[C@@H](N[C@H](CN2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000248043564 426974849 /nfs/dbraw/zinc/97/48/49/426974849.db2.gz UIOLLRAPUQZPBS-NZSAHSFTSA-N 1 3 301.478 2.896 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000323623276 426975472 /nfs/dbraw/zinc/97/54/72/426975472.db2.gz DCDZKBSMMSABNN-YLJYHZDGSA-N 1 3 315.505 2.623 20 0 DFADHO C[C@H]([NH2+]C[C@H](O)CC(F)(F)F)[C@@H]1CCCN(C2CCC2)C1 ZINC000189933743 426984147 /nfs/dbraw/zinc/98/41/47/426984147.db2.gz ASDGMXONYKJXRZ-OUCADQQQSA-N 1 3 308.388 2.542 20 0 DFADHO C[C@H](NC[C@H](O)CC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189933743 426984150 /nfs/dbraw/zinc/98/41/50/426984150.db2.gz ASDGMXONYKJXRZ-OUCADQQQSA-N 1 3 308.388 2.542 20 0 DFADHO C[C@H](NC[C@H](O)CC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189933743 426984157 /nfs/dbraw/zinc/98/41/57/426984157.db2.gz ASDGMXONYKJXRZ-OUCADQQQSA-N 1 3 308.388 2.542 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)CN(C)C ZINC000291804121 426993618 /nfs/dbraw/zinc/99/36/18/426993618.db2.gz XOJKIZCGURWZFA-AOIWGVFYSA-N 1 3 303.494 2.827 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248455121 427004688 /nfs/dbraw/zinc/00/46/88/427004688.db2.gz HSHYUOHEACEXJJ-MTHXSQLBSA-N 1 3 314.473 2.646 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248455121 427004691 /nfs/dbraw/zinc/00/46/91/427004691.db2.gz HSHYUOHEACEXJJ-MTHXSQLBSA-N 1 3 314.473 2.646 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248455121 427004694 /nfs/dbraw/zinc/00/46/94/427004694.db2.gz HSHYUOHEACEXJJ-MTHXSQLBSA-N 1 3 314.473 2.646 20 0 DFADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)[C@@]2(CC)CCC[NH2+]2)C1 ZINC000248755859 427039409 /nfs/dbraw/zinc/03/94/09/427039409.db2.gz VDCYCJBNDJONGZ-MAUKXSAKSA-N 1 3 309.498 2.535 20 0 DFADHO C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000338029765 427099776 /nfs/dbraw/zinc/09/97/76/427099776.db2.gz OYLFRQURXYACRH-BBWFWOEESA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N1[C@@H](C)CC[C@@H]1C ZINC000338048268 427113565 /nfs/dbraw/zinc/11/35/65/427113565.db2.gz ANRHQTBZQKXZOA-QZWWFDLISA-N 1 3 323.525 2.874 20 0 DFADHO C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N1[C@@H](C)CC[C@@H]1C ZINC000338048268 427113570 /nfs/dbraw/zinc/11/35/70/427113570.db2.gz ANRHQTBZQKXZOA-QZWWFDLISA-N 1 3 323.525 2.874 20 0 DFADHO C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N1[C@H](C)CC[C@H]1C ZINC000338048271 427115664 /nfs/dbraw/zinc/11/56/64/427115664.db2.gz ANRHQTBZQKXZOA-VQHPVUNQSA-N 1 3 323.525 2.874 20 0 DFADHO C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N1[C@H](C)CC[C@H]1C ZINC000338048271 427115671 /nfs/dbraw/zinc/11/56/71/427115671.db2.gz ANRHQTBZQKXZOA-VQHPVUNQSA-N 1 3 323.525 2.874 20 0 DFADHO CSc1ccc(OCC[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292162948 427116338 /nfs/dbraw/zinc/11/63/38/427116338.db2.gz OUVGHFAQWYKHQR-QGZVFWFLSA-N 1 3 306.475 2.815 20 0 DFADHO CSc1ccc(OCC[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292162948 427116344 /nfs/dbraw/zinc/11/63/44/427116344.db2.gz OUVGHFAQWYKHQR-QGZVFWFLSA-N 1 3 306.475 2.815 20 0 DFADHO C[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000338053576 427118044 /nfs/dbraw/zinc/11/80/44/427118044.db2.gz VFLBQCXLZALHER-ILYVXUQDSA-N 1 3 323.525 2.874 20 0 DFADHO CCOc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000268799294 427121467 /nfs/dbraw/zinc/12/14/67/427121467.db2.gz ANVZWRNZTNPMNQ-HNNXBMFYSA-N 1 3 306.450 2.583 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000292186218 427123361 /nfs/dbraw/zinc/12/33/61/427123361.db2.gz XDCITQQLLJWIDH-HOTGVXAUSA-N 1 3 323.506 2.779 20 0 DFADHO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268815558 427124479 /nfs/dbraw/zinc/12/44/79/427124479.db2.gz MGVIKYQHIMUPBH-CVEARBPZSA-N 1 3 316.449 2.563 20 0 DFADHO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268815561 427125487 /nfs/dbraw/zinc/12/54/87/427125487.db2.gz MGVIKYQHIMUPBH-HOTGVXAUSA-N 1 3 316.449 2.563 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(OCCN(C)C)cc1 ZINC000268809363 427126130 /nfs/dbraw/zinc/12/61/30/427126130.db2.gz NLOIJTUXTCILTE-YJBOKZPZSA-N 1 3 306.450 2.847 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000268828869 427132280 /nfs/dbraw/zinc/13/22/80/427132280.db2.gz ZZYSDKHVUJMBHN-DOTOQJQBSA-N 1 3 306.450 2.532 20 0 DFADHO C[N@@H+]1CC[C@@]2(CCN(C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292218864 427135615 /nfs/dbraw/zinc/13/56/15/427135615.db2.gz UWLVGXHKBJTFNP-LEWJYISDSA-N 1 3 324.468 2.771 20 0 DFADHO C[N@H+]1CC[C@@]2(CCN(C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292218864 427135621 /nfs/dbraw/zinc/13/56/21/427135621.db2.gz UWLVGXHKBJTFNP-LEWJYISDSA-N 1 3 324.468 2.771 20 0 DFADHO C[N@@H+]1CC[C@]2(CCN(C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220676 427136621 /nfs/dbraw/zinc/13/66/21/427136621.db2.gz UWLVGXHKBJTFNP-SFTDATJTSA-N 1 3 324.468 2.771 20 0 DFADHO C[N@H+]1CC[C@]2(CCN(C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220676 427136626 /nfs/dbraw/zinc/13/66/26/427136626.db2.gz UWLVGXHKBJTFNP-SFTDATJTSA-N 1 3 324.468 2.771 20 0 DFADHO C[C@H](CNC(=O)c1ccc(CN(C)C)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000249740775 427141714 /nfs/dbraw/zinc/14/17/14/427141714.db2.gz IUXNNIPJJBQFKH-JKSUJKDBSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@H](CNC(=O)c1ccc(CN(C)C)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000249740775 427141724 /nfs/dbraw/zinc/14/17/24/427141724.db2.gz IUXNNIPJJBQFKH-JKSUJKDBSA-N 1 3 317.477 2.598 20 0 DFADHO Fc1cccc2c1CC[C@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000269044459 427149473 /nfs/dbraw/zinc/14/94/73/427149473.db2.gz WGVUAXJEWQKHII-IFXJQAMLSA-N 1 3 318.436 2.904 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000261640779 271268877 /nfs/dbraw/zinc/26/88/77/271268877.db2.gz DBQTYNSWFNEIHO-FGTMMUONSA-N 1 3 317.477 2.703 20 0 DFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2ccnc3ccccc32)CC1 ZINC000333712913 271387008 /nfs/dbraw/zinc/38/70/08/271387008.db2.gz SPFVVCUFTHMBIL-APWZRJJASA-N 1 3 311.429 2.958 20 0 DFADHO COc1cccc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000190773634 427177807 /nfs/dbraw/zinc/17/78/07/427177807.db2.gz GFUQVCFJWKRZQI-HOTGVXAUSA-N 1 3 305.466 2.938 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCCN(C)[C@H]2C)cc1 ZINC000338183126 427178228 /nfs/dbraw/zinc/17/82/28/427178228.db2.gz ACSCFYJUQZPPCB-YJBOKZPZSA-N 1 3 317.477 2.741 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000338199954 427189083 /nfs/dbraw/zinc/18/90/83/427189083.db2.gz PBWCWEBWJQONBI-DYVFJYSZSA-N 1 3 323.431 2.568 20 0 DFADHO C[C@H](O)CC[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183142266 427210949 /nfs/dbraw/zinc/21/09/49/427210949.db2.gz SJVOZGCFDJLRJE-WNHJNPCNSA-N 1 3 302.462 2.648 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc3c(c1)OCCO3)C2 ZINC000285441655 427232224 /nfs/dbraw/zinc/23/22/24/427232224.db2.gz IIFYLOHXVFAQPE-XYPWUTKMSA-N 1 3 302.418 2.515 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc3c(c1)OCCO3)C2 ZINC000285441655 427232230 /nfs/dbraw/zinc/23/22/30/427232230.db2.gz IIFYLOHXVFAQPE-XYPWUTKMSA-N 1 3 302.418 2.515 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@@H]1CCCC(F)(F)C1 ZINC000338284019 427234697 /nfs/dbraw/zinc/23/46/97/427234697.db2.gz JBYROFVWVCECCE-KLHDSHLOSA-N 1 3 316.436 2.995 20 0 DFADHO Cc1sccc1CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000293215954 427249081 /nfs/dbraw/zinc/24/90/81/427249081.db2.gz JOWQKNZNYYFEGP-GOSISDBHSA-N 1 3 316.470 2.913 20 0 DFADHO Cc1sccc1CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000293215954 427249089 /nfs/dbraw/zinc/24/90/89/427249089.db2.gz JOWQKNZNYYFEGP-GOSISDBHSA-N 1 3 316.470 2.913 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@H](O)c1ccccc1Cl)C2 ZINC000285568026 427274893 /nfs/dbraw/zinc/27/48/93/427274893.db2.gz SEEPWUWCGMKWMJ-CKQIIDDLSA-N 1 3 308.853 2.930 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@H](O)c1ccccc1Cl)C2 ZINC000285568026 427274898 /nfs/dbraw/zinc/27/48/98/427274898.db2.gz SEEPWUWCGMKWMJ-CKQIIDDLSA-N 1 3 308.853 2.930 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)CN(C)C ZINC000293312240 427283029 /nfs/dbraw/zinc/28/30/29/427283029.db2.gz FDVKISXMBOMLKG-GJZGRUSLSA-N 1 3 303.450 2.662 20 0 DFADHO C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261722170 427339352 /nfs/dbraw/zinc/33/93/52/427339352.db2.gz GBEPZGAFMYCOBV-IEBWSBKVSA-N 1 3 301.478 2.582 20 0 DFADHO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000293620146 427385202 /nfs/dbraw/zinc/38/52/02/427385202.db2.gz HACHJLDNUFPUCO-KSSFIOAISA-N 1 3 316.445 2.998 20 0 DFADHO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000293620146 427385209 /nfs/dbraw/zinc/38/52/09/427385209.db2.gz HACHJLDNUFPUCO-KSSFIOAISA-N 1 3 316.445 2.998 20 0 DFADHO CC[C@H](NC1CC[NH+](CC)CC1)c1ccc(C(=O)OC)cc1 ZINC000293692619 427406548 /nfs/dbraw/zinc/40/65/48/427406548.db2.gz KZLCPTDSINREIC-KRWDZBQOSA-N 1 3 304.434 2.998 20 0 DFADHO CC[C@@H](NC1CC[NH+](CC)CC1)c1ccc(C(=O)OC)cc1 ZINC000293692627 427407280 /nfs/dbraw/zinc/40/72/80/427407280.db2.gz KZLCPTDSINREIC-QGZVFWFLSA-N 1 3 304.434 2.998 20 0 DFADHO CCOC(=O)c1ccc(CNCCCCC[NH+]2CCCC2)o1 ZINC000293720765 427414303 /nfs/dbraw/zinc/41/43/03/427414303.db2.gz TYFXGRLKIKBHIU-UHFFFAOYSA-N 1 3 308.422 2.812 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)CN(C)C)cc1OC ZINC000293815212 427448462 /nfs/dbraw/zinc/44/84/62/427448462.db2.gz VTJQGOKTGYZFLS-ZNMIVQPWSA-N 1 3 308.466 2.983 20 0 DFADHO CC[N@H+](CCNC(=O)Nc1cccc(CN(C)C)c1)C(C)C ZINC000338713650 427450357 /nfs/dbraw/zinc/45/03/57/427450357.db2.gz UIEOCKZGYMLGFI-UHFFFAOYSA-N 1 3 306.454 2.600 20 0 DFADHO CC[N@@H+](CCNC(=O)Nc1cccc(CN(C)C)c1)C(C)C ZINC000338713650 427450366 /nfs/dbraw/zinc/45/03/66/427450366.db2.gz UIEOCKZGYMLGFI-UHFFFAOYSA-N 1 3 306.454 2.600 20 0 DFADHO C[C@H]1C[N@H+](CCCN[C@@H]2CCc3c2cccc3F)CCCO1 ZINC000278807484 427461514 /nfs/dbraw/zinc/46/15/14/427461514.db2.gz ZOAAQJGAQZRFOS-KBXCAEBGSA-N 1 3 306.425 2.904 20 0 DFADHO C[C@H]1C[N@@H+](CCCN[C@@H]2CCc3c2cccc3F)CCCO1 ZINC000278807484 427461521 /nfs/dbraw/zinc/46/15/21/427461521.db2.gz ZOAAQJGAQZRFOS-KBXCAEBGSA-N 1 3 306.425 2.904 20 0 DFADHO CC[NH+]1CCC(NCCc2cccc(C(F)(F)F)n2)CC1 ZINC000293860721 427464947 /nfs/dbraw/zinc/46/49/47/427464947.db2.gz YYPMVWXELBEJEU-UHFFFAOYSA-N 1 3 301.356 2.717 20 0 DFADHO Cc1nccn1C[C@H]1CCCN1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000271249986 427467891 /nfs/dbraw/zinc/46/78/91/427467891.db2.gz DRCHMUDSUGOUSH-WOJBJXKFSA-N 1 3 324.472 2.930 20 0 DFADHO Cc1nccn1C[C@H]1CCCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271249986 427467896 /nfs/dbraw/zinc/46/78/96/427467896.db2.gz DRCHMUDSUGOUSH-WOJBJXKFSA-N 1 3 324.472 2.930 20 0 DFADHO CC(C)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271284196 427483753 /nfs/dbraw/zinc/48/37/53/427483753.db2.gz OOKCKZXCRWIULF-IBGZPJMESA-N 1 3 301.478 2.535 20 0 DFADHO CC(C)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271284196 427483759 /nfs/dbraw/zinc/48/37/59/427483759.db2.gz OOKCKZXCRWIULF-IBGZPJMESA-N 1 3 301.478 2.535 20 0 DFADHO C[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])N(C)Cc1ccccc1 ZINC000263185997 427432346 /nfs/dbraw/zinc/43/23/46/427432346.db2.gz HHHSNKFXVUFTEJ-SZVBFZGTSA-N 1 3 317.477 2.531 20 0 DFADHO CCN1CCN(CCCC[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338691289 427440241 /nfs/dbraw/zinc/44/02/41/427440241.db2.gz GGPIFESNXLETGB-UHFFFAOYSA-N 1 3 307.526 2.963 20 0 DFADHO O[C@H](CC[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298006787 427501837 /nfs/dbraw/zinc/50/18/37/427501837.db2.gz BRAORUAKMBWEIO-LJQANCHMSA-N 1 3 311.429 2.764 20 0 DFADHO C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000278930756 427504049 /nfs/dbraw/zinc/50/40/49/427504049.db2.gz LERCVDCGDRRSTO-GDAAHCPNSA-N 1 3 302.462 2.648 20 0 DFADHO CC(C)[NH+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)C ZINC000184617577 427506184 /nfs/dbraw/zinc/50/61/84/427506184.db2.gz LWTOCHSBMZTDDZ-QGZVFWFLSA-N 1 3 305.466 2.524 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CNC/C=C/c1ccc(F)c(F)c1 ZINC000286382963 427511027 /nfs/dbraw/zinc/51/10/27/427511027.db2.gz GRZSPRNTBLLTHF-NFAHFFEMSA-N 1 3 312.404 2.924 20 0 DFADHO c1ccc(CN2CC[C@@H](N3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000271437394 427537752 /nfs/dbraw/zinc/53/77/52/427537752.db2.gz RCASYOLNUQGKCW-UXHICEINSA-N 1 3 313.489 2.821 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)ccn1 ZINC000294307426 427618334 /nfs/dbraw/zinc/61/83/34/427618334.db2.gz VOLLDYQHJOBLIW-RCCFBDPRSA-N 1 3 313.445 2.598 20 0 DFADHO CN(C[C@@H]1CCCCO1)[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC000338937901 427569862 /nfs/dbraw/zinc/56/98/62/427569862.db2.gz CPBRGMWGXPEWID-FHWLQOOXSA-N 1 3 324.509 2.911 20 0 DFADHO CN(C[C@@H]1CCCCO1)[C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC000338937901 427569869 /nfs/dbraw/zinc/56/98/69/427569869.db2.gz CPBRGMWGXPEWID-FHWLQOOXSA-N 1 3 324.509 2.911 20 0 DFADHO C[C@H](O)CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000279152015 427575809 /nfs/dbraw/zinc/57/58/09/427575809.db2.gz SUDBMAKMYOLBOF-GDAAHCPNSA-N 1 3 302.462 2.648 20 0 DFADHO CC[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)N(C)C ZINC000338966055 427594284 /nfs/dbraw/zinc/59/42/84/427594284.db2.gz KXNNSFYPALSPFW-YJBOKZPZSA-N 1 3 317.477 2.668 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)CCN1Cc1ccccc1 ZINC000271912236 427595627 /nfs/dbraw/zinc/59/56/27/427595627.db2.gz YCAGWXHXFWYDGJ-XLIONFOSSA-N 1 3 313.489 2.891 20 0 DFADHO OC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000298423852 427604521 /nfs/dbraw/zinc/60/45/21/427604521.db2.gz MPNWJMMXRAEXLE-GOSISDBHSA-N 1 3 315.392 2.513 20 0 DFADHO C[C@H](c1cccnc1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000263913554 427607126 /nfs/dbraw/zinc/60/71/26/427607126.db2.gz NMMKCLCTTASKLD-BRWVUGGUSA-N 1 3 317.477 2.964 20 0 DFADHO COc1cccc(O[C@H](C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192907196 427633677 /nfs/dbraw/zinc/63/36/77/427633677.db2.gz KLGQEBYVDDJYPL-WZYMTQMTSA-N 1 3 304.434 2.677 20 0 DFADHO COc1cccc(O[C@H](C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192907196 427633682 /nfs/dbraw/zinc/63/36/82/427633682.db2.gz KLGQEBYVDDJYPL-WZYMTQMTSA-N 1 3 304.434 2.677 20 0 DFADHO Cc1nn(C)c2sc([C@@H](C)[NH2+]CC3=CCN(C)CC3)cc12 ZINC000287610420 427652896 /nfs/dbraw/zinc/65/28/96/427652896.db2.gz JDMNIQBJUPBEHS-GFCCVEGCSA-N 1 3 304.463 2.856 20 0 DFADHO C[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)[C@H]1CCCC[C@H]1C ZINC000333576714 427653185 /nfs/dbraw/zinc/65/31/85/427653185.db2.gz NFIHSRMNLPDRNZ-IPYPFGDCSA-N 1 3 305.470 2.576 20 0 DFADHO CC(C)[C@H]1CCC[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000333608759 427658549 /nfs/dbraw/zinc/65/85/49/427658549.db2.gz RQKDFARGWDQMAQ-GJZGRUSLSA-N 1 3 305.470 2.576 20 0 DFADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)N1CCCCC1 ZINC000342749300 272050027 /nfs/dbraw/zinc/05/00/27/272050027.db2.gz YSGWLNHASVJWIP-OKZBNKHCSA-N 1 3 321.509 2.582 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343091649 272084488 /nfs/dbraw/zinc/08/44/88/272084488.db2.gz HFDMPGRIVCJMSP-SFHVURJKSA-N 1 3 321.896 2.943 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343091648 272084803 /nfs/dbraw/zinc/08/48/03/272084803.db2.gz HFDMPGRIVCJMSP-GOSISDBHSA-N 1 3 321.896 2.943 20 0 DFADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCOCCN(C)C)C1 ZINC000343463463 272152905 /nfs/dbraw/zinc/15/29/05/272152905.db2.gz ZGOZGERAGVJQMR-IAGOWNOFSA-N 1 3 305.466 2.584 20 0 DFADHO CCC[C@H](C)NC(=O)[C@@H](C)N1CCC(C[NH+](CC)CC)CC1 ZINC000343573123 272173178 /nfs/dbraw/zinc/17/31/78/272173178.db2.gz AWEGAPGNLPKTPP-JKSUJKDBSA-N 1 3 311.514 2.734 20 0 DFADHO C[C@H](c1cccc(F)c1)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343730543 272209161 /nfs/dbraw/zinc/20/91/61/272209161.db2.gz OLNUXJWITQRVDX-HZPDHXFCSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@H](c1cccc(F)c1)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343730543 272209164 /nfs/dbraw/zinc/20/91/64/272209164.db2.gz OLNUXJWITQRVDX-HZPDHXFCSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@H](c1cccc(F)c1)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343730543 272209166 /nfs/dbraw/zinc/20/91/66/272209166.db2.gz OLNUXJWITQRVDX-HZPDHXFCSA-N 1 3 319.468 2.987 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000343985927 272247091 /nfs/dbraw/zinc/24/70/91/272247091.db2.gz MXCBZIOLQPRONO-NXHRZFHOSA-N 1 3 303.450 2.690 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000344024354 272250399 /nfs/dbraw/zinc/25/03/99/272250399.db2.gz HZYAYNBBUBFDNR-SFHVURJKSA-N 1 3 317.521 2.607 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000344024354 272250402 /nfs/dbraw/zinc/25/04/02/272250402.db2.gz HZYAYNBBUBFDNR-SFHVURJKSA-N 1 3 317.521 2.607 20 0 DFADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C12CCC2 ZINC000344045745 272252119 /nfs/dbraw/zinc/25/21/19/272252119.db2.gz GSDDCPCHXPZHCS-CWQOZTLDSA-N 1 3 324.509 2.669 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000344094771 272261508 /nfs/dbraw/zinc/26/15/08/272261508.db2.gz GNUMVXFAKJKBKC-SFHVURJKSA-N 1 3 302.462 2.964 20 0 DFADHO C[C@@H]([NH3+])CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000193313846 427684328 /nfs/dbraw/zinc/68/43/28/427684328.db2.gz DEHNEPPIGZXATQ-JFIYKMOQSA-N 1 3 317.477 2.625 20 0 DFADHO CC(C)[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000344568248 272339591 /nfs/dbraw/zinc/33/95/91/272339591.db2.gz DMQFFFOBHZJCET-FGTMMUONSA-N 1 3 323.525 2.732 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000344614942 272348523 /nfs/dbraw/zinc/34/85/23/272348523.db2.gz LOOIRFAIZXNMNW-BRWVUGGUSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000344614942 272348525 /nfs/dbraw/zinc/34/85/25/272348525.db2.gz LOOIRFAIZXNMNW-BRWVUGGUSA-N 1 3 309.498 2.630 20 0 DFADHO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000344832623 272375296 /nfs/dbraw/zinc/37/52/96/272375296.db2.gz PBULRGKNMKFJFO-RAUXBKROSA-N 1 3 315.505 2.969 20 0 DFADHO COCC[N@H+](C)CCCN[C@H](C)c1cc2c(C)nn(C)c2s1 ZINC000287864801 427704980 /nfs/dbraw/zinc/70/49/80/427704980.db2.gz XQEUJNQDBXEKIW-CYBMUJFWSA-N 1 3 324.494 2.562 20 0 DFADHO COCC[N@@H+](C)CCCN[C@H](C)c1cc2c(C)nn(C)c2s1 ZINC000287864801 427704984 /nfs/dbraw/zinc/70/49/84/427704984.db2.gz XQEUJNQDBXEKIW-CYBMUJFWSA-N 1 3 324.494 2.562 20 0 DFADHO FC(F)(F)c1cc(CNCCCCC[NH+]2CCCC2)[nH]n1 ZINC000339509563 427785828 /nfs/dbraw/zinc/78/58/28/427785828.db2.gz YMEIRIDPDVJSNE-UHFFFAOYSA-N 1 3 304.360 2.784 20 0 DFADHO C1CC2(C1)[C@H]([NH2+]C1CCN(C3CCCC3)CC1)[C@H]1CCO[C@H]12 ZINC000194069106 427728693 /nfs/dbraw/zinc/72/86/93/427728693.db2.gz YULCEVCKMLNRJC-KZNAEPCWSA-N 1 3 304.478 2.941 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCC=CO3)CC2)C[C@@H](C)O1 ZINC000194048751 427729283 /nfs/dbraw/zinc/72/92/83/427729283.db2.gz FJWMAJDVWRUWCU-LMMKCTJWSA-N 1 3 322.493 2.890 20 0 DFADHO CC[C@H](C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(CC)CC ZINC000345783147 272540766 /nfs/dbraw/zinc/54/07/66/272540766.db2.gz JPGYRZOYSCAWLH-YESZJQIVSA-N 1 3 311.514 2.591 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1CC(C)(C)C1 ZINC000339656032 427807960 /nfs/dbraw/zinc/80/79/60/427807960.db2.gz ZWBTWNOPLHNXNE-QGZVFWFLSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1CC(C)(C)C1 ZINC000339656032 427807962 /nfs/dbraw/zinc/80/79/62/427807962.db2.gz ZWBTWNOPLHNXNE-QGZVFWFLSA-N 1 3 323.525 2.687 20 0 DFADHO CCSc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000339685721 427811263 /nfs/dbraw/zinc/81/12/63/427811263.db2.gz GGZJVCUPCCRCSJ-ZBFHGGJFSA-N 1 3 308.491 2.906 20 0 DFADHO Cc1cccc2c(N3CCC([N@H+](C)CCCO)CC3)ccnc12 ZINC000301641928 427812055 /nfs/dbraw/zinc/81/20/55/427812055.db2.gz BPRHNLGAMMBHCT-UHFFFAOYSA-N 1 3 313.445 2.826 20 0 DFADHO Cc1cccc2c(N3CCC([N@@H+](C)CCCO)CC3)ccnc12 ZINC000301641928 427812057 /nfs/dbraw/zinc/81/20/57/427812057.db2.gz BPRHNLGAMMBHCT-UHFFFAOYSA-N 1 3 313.445 2.826 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H](C)c1ccc2c(c1)COC2 ZINC000349661951 427837870 /nfs/dbraw/zinc/83/78/70/427837870.db2.gz HHEZSBBYGNPFJI-OAHLLOKOSA-N 1 3 306.450 2.726 20 0 DFADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000340517977 427872449 /nfs/dbraw/zinc/87/24/49/427872449.db2.gz OZWVFRDXBJXSTR-ILOCAZANSA-N 1 3 306.494 2.902 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000340517977 427872454 /nfs/dbraw/zinc/87/24/54/427872454.db2.gz OZWVFRDXBJXSTR-ILOCAZANSA-N 1 3 306.494 2.902 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000340517977 427872459 /nfs/dbraw/zinc/87/24/59/427872459.db2.gz OZWVFRDXBJXSTR-ILOCAZANSA-N 1 3 306.494 2.902 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@H]1CCCOC1 ZINC000355747840 427872813 /nfs/dbraw/zinc/87/28/13/427872813.db2.gz WVNFYOACAVLGAX-WBVHZDCISA-N 1 3 306.450 2.532 20 0 DFADHO CCN(CC)CC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000337415544 427894797 /nfs/dbraw/zinc/89/47/97/427894797.db2.gz REAYIINWCDRTDO-UHFFFAOYSA-N 1 3 311.514 2.689 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](c1ccccc1Cl)N(C)C ZINC000359551202 427905210 /nfs/dbraw/zinc/90/52/10/427905210.db2.gz JRDUARLANNMISX-KBRIMQKVSA-N 1 3 309.885 2.873 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](c1ccccc1Cl)N(C)C ZINC000359551202 427905216 /nfs/dbraw/zinc/90/52/16/427905216.db2.gz JRDUARLANNMISX-KBRIMQKVSA-N 1 3 309.885 2.873 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)[C@H](C)N1CCCCCC1 ZINC000345950558 427961900 /nfs/dbraw/zinc/96/19/00/427961900.db2.gz KGNLOWFFMKXPNZ-KRWDZBQOSA-N 1 3 311.514 2.879 20 0 DFADHO CCC[C@H](C)CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000337567135 427962070 /nfs/dbraw/zinc/96/20/70/427962070.db2.gz ALINYKFLXQPRMK-IRXDYDNUSA-N 1 3 311.514 2.687 20 0 DFADHO CCC[C@H](C)CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000337567135 427962072 /nfs/dbraw/zinc/96/20/72/427962072.db2.gz ALINYKFLXQPRMK-IRXDYDNUSA-N 1 3 311.514 2.687 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)CCN1C ZINC000340262696 427969878 /nfs/dbraw/zinc/96/98/78/427969878.db2.gz ZVHDSLNOBZWRGE-OWYHZJEWSA-N 1 3 301.478 2.894 20 0 DFADHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1)N(C)C ZINC000376728264 427987549 /nfs/dbraw/zinc/98/75/49/427987549.db2.gz JIBBHQPJDLXZBG-KZNAEPCWSA-N 1 3 317.477 2.526 20 0 DFADHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1)N(C)C ZINC000376728264 427987555 /nfs/dbraw/zinc/98/75/55/427987555.db2.gz JIBBHQPJDLXZBG-KZNAEPCWSA-N 1 3 317.477 2.526 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(CCC)CCN1CCCCC1 ZINC000359723981 427989504 /nfs/dbraw/zinc/98/95/04/427989504.db2.gz URRQQFLUHUCBDR-QGZVFWFLSA-N 1 3 311.514 2.878 20 0 DFADHO C[C@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N1CCCCCC1 ZINC000341342987 428041037 /nfs/dbraw/zinc/04/10/37/428041037.db2.gz GSFKGDIGSJVHSP-HZPDHXFCSA-N 1 3 311.514 2.734 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000346186092 428057271 /nfs/dbraw/zinc/05/72/71/428057271.db2.gz HHXFKNBCIAHBAF-HZPDHXFCSA-N 1 3 317.481 2.736 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000346186092 428057277 /nfs/dbraw/zinc/05/72/77/428057277.db2.gz HHXFKNBCIAHBAF-HZPDHXFCSA-N 1 3 317.481 2.736 20 0 DFADHO COc1cc2nccc(N[C@@H]3CCC[N@H+](C)[C@@H]3C)c2cc1OC ZINC000413233386 427999056 /nfs/dbraw/zinc/99/90/56/427999056.db2.gz DFIJDQHLSFGCLA-TZMCWYRMSA-N 1 3 315.417 2.569 20 0 DFADHO COc1cc2nccc(N[C@@H]3CCC[N@@H+](C)[C@@H]3C)c2cc1OC ZINC000413233386 427999059 /nfs/dbraw/zinc/99/90/59/427999059.db2.gz DFIJDQHLSFGCLA-TZMCWYRMSA-N 1 3 315.417 2.569 20 0 DFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N(CC)CC ZINC000359788166 428019284 /nfs/dbraw/zinc/01/92/84/428019284.db2.gz DNZKUGUNDDWFKO-DLBZAZTESA-N 1 3 309.498 2.584 20 0 DFADHO C[N@H+](CCOc1ccccc1C(F)(F)F)[C@H](CN)C1CC1 ZINC000359904969 428071410 /nfs/dbraw/zinc/07/14/10/428071410.db2.gz CZKCAZVVIFBIEC-CYBMUJFWSA-N 1 3 302.340 2.753 20 0 DFADHO C[N@@H+](CCOc1ccccc1C(F)(F)F)[C@H](CN)C1CC1 ZINC000359904969 428071413 /nfs/dbraw/zinc/07/14/13/428071413.db2.gz CZKCAZVVIFBIEC-CYBMUJFWSA-N 1 3 302.340 2.753 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000369849758 428076036 /nfs/dbraw/zinc/07/60/36/428076036.db2.gz CZRUFKMMAWWMOC-BTHPGYMESA-N 1 3 315.505 2.999 20 0 DFADHO COc1cc([C@@H](C)NCCOCC[NH+](C)C)ccc1SC ZINC000351501040 428096852 /nfs/dbraw/zinc/09/68/52/428096852.db2.gz HZPPNMGBFYHUHL-CYBMUJFWSA-N 1 3 312.479 2.646 20 0 DFADHO COC(C)(C)CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000346279719 428107113 /nfs/dbraw/zinc/10/71/13/428107113.db2.gz NJCSUVYLZAXGMY-IYBDPMFKSA-N 1 3 312.498 2.623 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)c1 ZINC000370017836 428111593 /nfs/dbraw/zinc/11/15/93/428111593.db2.gz KYNJIHCJTCYRAH-DOTOQJQBSA-N 1 3 301.434 2.561 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)c1 ZINC000370017836 428111596 /nfs/dbraw/zinc/11/15/96/428111596.db2.gz KYNJIHCJTCYRAH-DOTOQJQBSA-N 1 3 301.434 2.561 20 0 DFADHO C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000360007760 428115317 /nfs/dbraw/zinc/11/53/17/428115317.db2.gz RDAYVHHMNXDLFT-IAGOWNOFSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000360007760 428115322 /nfs/dbraw/zinc/11/53/22/428115322.db2.gz RDAYVHHMNXDLFT-IAGOWNOFSA-N 1 3 321.509 2.632 20 0 DFADHO C[NH+](C)CCOc1ccccc1N1CCN(CCC2CC2)CC1 ZINC000360025065 428121696 /nfs/dbraw/zinc/12/16/96/428121696.db2.gz RJHGIJDGXINIQX-UHFFFAOYSA-N 1 3 317.477 2.549 20 0 DFADHO CN1CC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1cccs1 ZINC000370164692 428148674 /nfs/dbraw/zinc/14/86/74/428148674.db2.gz XYOCDCFMJRRXLR-DOMZBBRYSA-N 1 3 315.446 2.772 20 0 DFADHO CC(C)[C@@H](CSc1ccccc1)NC[C@H](O)C[NH+]1CCCC1 ZINC000352558278 428149099 /nfs/dbraw/zinc/14/90/99/428149099.db2.gz VXFLLGHOYQKRPI-FUHWJXTLSA-N 1 3 322.518 2.850 20 0 DFADHO COC[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414172295 428225042 /nfs/dbraw/zinc/22/50/42/428225042.db2.gz DSXYHHYSYSCNQB-DYVFJYSZSA-N 1 3 312.404 2.974 20 0 DFADHO COC[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414172295 428225046 /nfs/dbraw/zinc/22/50/46/428225046.db2.gz DSXYHHYSYSCNQB-DYVFJYSZSA-N 1 3 312.404 2.974 20 0 DFADHO c1[nH]nc2c1CC[C@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000370660738 428267802 /nfs/dbraw/zinc/26/78/02/428267802.db2.gz CQWMORROZRDLCZ-INIZCTEOSA-N 1 3 302.466 2.654 20 0 DFADHO c1[nH]nc2c1CC[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000370660738 428267806 /nfs/dbraw/zinc/26/78/06/428267806.db2.gz CQWMORROZRDLCZ-INIZCTEOSA-N 1 3 302.466 2.654 20 0 DFADHO Cc1cc(F)ccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370709060 428280467 /nfs/dbraw/zinc/28/04/67/428280467.db2.gz IMGHEMABMJDVMB-LPHOPBHVSA-N 1 3 319.468 2.592 20 0 DFADHO Cc1cc(F)ccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370709060 428280470 /nfs/dbraw/zinc/28/04/70/428280470.db2.gz IMGHEMABMJDVMB-LPHOPBHVSA-N 1 3 319.468 2.592 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342080165 428295545 /nfs/dbraw/zinc/29/55/45/428295545.db2.gz FZTRCBAETDVRCI-OFQRWUPVSA-N 1 3 319.424 2.522 20 0 DFADHO C[NH2+]CCC1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000346638043 428251384 /nfs/dbraw/zinc/25/13/84/428251384.db2.gz IUBJSXIUQATPMC-UHFFFAOYSA-N 1 3 304.463 2.960 20 0 DFADHO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](CC(C)C)C(=O)NCCN(C)C)C1 ZINC000352799466 428253304 /nfs/dbraw/zinc/25/33/04/428253304.db2.gz OHHJUDODSJFOHZ-RYQLBKOJSA-N 1 3 323.525 2.661 20 0 DFADHO CCC1CC([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000414308481 428255636 /nfs/dbraw/zinc/25/56/36/428255636.db2.gz QKKAVDMXWNIHCV-UHFFFAOYSA-N 1 3 302.462 2.792 20 0 DFADHO C[NH2+]CCC1CCN(Cc2cn(C)nc2-c2cccs2)CC1 ZINC000346656930 428258954 /nfs/dbraw/zinc/25/89/54/428258954.db2.gz SMUHUUUCHXWGBA-UHFFFAOYSA-N 1 3 318.490 2.970 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000370879054 428313292 /nfs/dbraw/zinc/31/32/92/428313292.db2.gz LAMKOGNFAKQSRG-SCTDSRPQSA-N 1 3 305.510 2.810 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000370879054 428313294 /nfs/dbraw/zinc/31/32/94/428313294.db2.gz LAMKOGNFAKQSRG-SCTDSRPQSA-N 1 3 305.510 2.810 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1ccc(F)c(F)c1F ZINC000346801511 428321821 /nfs/dbraw/zinc/32/18/21/428321821.db2.gz SQGYJVUGLKFWKY-JTNHKYCSSA-N 1 3 300.368 2.965 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1ccc(F)c(F)c1F ZINC000346801511 428321824 /nfs/dbraw/zinc/32/18/24/428321824.db2.gz SQGYJVUGLKFWKY-JTNHKYCSSA-N 1 3 300.368 2.965 20 0 DFADHO NC1(C[NH2+]Cc2cc(Br)cc3cccnc32)CCC1 ZINC000342150143 428322781 /nfs/dbraw/zinc/32/27/81/428322781.db2.gz WYMWLUNFWIVFKP-UHFFFAOYSA-N 1 3 320.234 2.968 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000352968309 428332582 /nfs/dbraw/zinc/33/25/82/428332582.db2.gz ORLCAOMIDOGFFG-DLBZAZTESA-N 1 3 309.498 2.630 20 0 DFADHO CC(C)n1ncc2cc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cnc21 ZINC000346829887 428335176 /nfs/dbraw/zinc/33/51/76/428335176.db2.gz OJQYUUCAKDFRKU-BHYGNILZSA-N 1 3 313.449 2.571 20 0 DFADHO Cc1nn(C(C)(C)C)c(C)c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346832603 428336078 /nfs/dbraw/zinc/33/60/78/428336078.db2.gz LPPJGWASZSFCHY-UAGQMJEPSA-N 1 3 304.482 2.814 20 0 DFADHO C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000356858330 428340351 /nfs/dbraw/zinc/34/03/51/428340351.db2.gz XMHBDMBYEDPJSB-VBSBHUPXSA-N 1 3 324.472 2.772 20 0 DFADHO COc1ccc(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c(C)c1OC ZINC000342194157 428344481 /nfs/dbraw/zinc/34/44/81/428344481.db2.gz VRTRIZCEDZZQNL-CVEARBPZSA-N 1 3 306.450 2.975 20 0 DFADHO CC[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000356884920 428348139 /nfs/dbraw/zinc/34/81/39/428348139.db2.gz PSGKREULUCALMY-LSDHHAIUSA-N 1 3 300.406 2.654 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(OCc4ccccn4)c3)C[C@H]12 ZINC000346854221 428348690 /nfs/dbraw/zinc/34/86/90/428348690.db2.gz TZMKRQZENQVNRB-LSTHTHJFSA-N 1 3 323.440 2.830 20 0 DFADHO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414751222 428393726 /nfs/dbraw/zinc/39/37/26/428393726.db2.gz AAMGUXZLMNCWPH-MVJTYMMSSA-N 1 3 316.445 2.753 20 0 DFADHO OCCCN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000346994682 428399568 /nfs/dbraw/zinc/39/95/68/428399568.db2.gz UXRAOQGNIKCXJM-VQIMIIECSA-N 1 3 302.462 2.748 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000414778906 428403806 /nfs/dbraw/zinc/40/38/06/428403806.db2.gz QSKQIEFIBSKQHT-MJGOQNOKSA-N 1 3 311.429 2.563 20 0 DFADHO COC(=O)CC[N@@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000371099171 428360355 /nfs/dbraw/zinc/36/03/55/428360355.db2.gz LTPKFGPRGJZKRH-KRWDZBQOSA-N 1 3 304.434 2.536 20 0 DFADHO COC(=O)CC[N@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000371099171 428360359 /nfs/dbraw/zinc/36/03/59/428360359.db2.gz LTPKFGPRGJZKRH-KRWDZBQOSA-N 1 3 304.434 2.536 20 0 DFADHO C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414670245 428370088 /nfs/dbraw/zinc/37/00/88/428370088.db2.gz CSROAWDXTGIETD-KBPBESRZSA-N 1 3 323.868 2.530 20 0 DFADHO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414670245 428370091 /nfs/dbraw/zinc/37/00/91/428370091.db2.gz CSROAWDXTGIETD-KBPBESRZSA-N 1 3 323.868 2.530 20 0 DFADHO CC(C)[NH+](CCN(C)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)C(C)C ZINC000357048321 428370278 /nfs/dbraw/zinc/37/02/78/428370278.db2.gz CTPYNXKVBBRWTE-IXDOHACOSA-N 1 3 311.514 2.825 20 0 DFADHO C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414669068 428370445 /nfs/dbraw/zinc/37/04/45/428370445.db2.gz BEMTXNBNZNYQFL-UONOGXRCSA-N 1 3 323.868 2.530 20 0 DFADHO C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414669068 428370449 /nfs/dbraw/zinc/37/04/49/428370449.db2.gz BEMTXNBNZNYQFL-UONOGXRCSA-N 1 3 323.868 2.530 20 0 DFADHO Cc1cccc(C)c1NC(=O)CN(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414680127 428372824 /nfs/dbraw/zinc/37/28/24/428372824.db2.gz SQPZRDHHCJXAAI-HZPDHXFCSA-N 1 3 303.450 2.562 20 0 DFADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000353081716 428378962 /nfs/dbraw/zinc/37/89/62/428378962.db2.gz OEPQHUVKVKGWIK-RLLQIKCJSA-N 1 3 315.505 2.828 20 0 DFADHO C[C@@H]1C[C@H](CN2CCc3c(cnn3-c3ccccc3)C2)CC[NH2+]1 ZINC000414713072 428383043 /nfs/dbraw/zinc/38/30/43/428383043.db2.gz VQQWUIFWQDRTFR-HZPDHXFCSA-N 1 3 310.445 2.619 20 0 DFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2CCC2CCCC2)C1 ZINC000414715433 428386469 /nfs/dbraw/zinc/38/64/69/428386469.db2.gz WUGCARZAYWNWCL-MSOLQXFVSA-N 1 3 321.509 2.619 20 0 DFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2CCC2CCCC2)C1 ZINC000414715433 428386471 /nfs/dbraw/zinc/38/64/71/428386471.db2.gz WUGCARZAYWNWCL-MSOLQXFVSA-N 1 3 321.509 2.619 20 0 DFADHO [NH3+]C1(CNC2CCN(c3ccccn3)CC2)CCCCCC1 ZINC000414860107 428435188 /nfs/dbraw/zinc/43/51/88/428435188.db2.gz OEUKNBBHSXWYIJ-UHFFFAOYSA-N 1 3 302.466 2.692 20 0 DFADHO C[NH2+]CC1CCN(Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000347082463 428436730 /nfs/dbraw/zinc/43/67/30/428436730.db2.gz ZBRILHFEIWRVLI-UHFFFAOYSA-N 1 3 304.482 2.899 20 0 DFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000357228514 428445175 /nfs/dbraw/zinc/44/51/75/428445175.db2.gz XZDHZEWKLVEKSV-WMLDXEAASA-N 1 3 323.506 2.589 20 0 DFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000357228514 428445180 /nfs/dbraw/zinc/44/51/80/428445180.db2.gz XZDHZEWKLVEKSV-WMLDXEAASA-N 1 3 323.506 2.589 20 0 DFADHO CSC[C@H](CCO)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357232341 428445874 /nfs/dbraw/zinc/44/58/74/428445874.db2.gz NTBKFALWPOROAK-JQHSSLGASA-N 1 3 322.518 2.601 20 0 DFADHO CSC[C@H](CCO)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357232341 428445880 /nfs/dbraw/zinc/44/58/80/428445880.db2.gz NTBKFALWPOROAK-JQHSSLGASA-N 1 3 322.518 2.601 20 0 DFADHO C[C@H](CN)C[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414887150 428446965 /nfs/dbraw/zinc/44/69/65/428446965.db2.gz YXCPSXZDQVDOMS-ZJUUUORDSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@H](C[NH3+])CN[C@@H](C)Cc1ccc(Br)cc1F ZINC000414887150 428446970 /nfs/dbraw/zinc/44/69/70/428446970.db2.gz YXCPSXZDQVDOMS-ZJUUUORDSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@@H](C[NH3+])CN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414885879 428447402 /nfs/dbraw/zinc/44/74/02/428447402.db2.gz XPOOEIXDCPWUEN-QWRGUYRKSA-N 1 3 317.355 2.607 20 0 DFADHO C[C@@H](CN)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414885879 428447409 /nfs/dbraw/zinc/44/74/09/428447409.db2.gz XPOOEIXDCPWUEN-QWRGUYRKSA-N 1 3 317.355 2.607 20 0 DFADHO COCCOC[C@H](C)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357241509 428450240 /nfs/dbraw/zinc/45/02/40/428450240.db2.gz XLJYWNRVKYSNNL-JENIJYKNSA-N 1 3 320.477 2.538 20 0 DFADHO COCCOC[C@H](C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357241509 428450247 /nfs/dbraw/zinc/45/02/47/428450247.db2.gz XLJYWNRVKYSNNL-JENIJYKNSA-N 1 3 320.477 2.538 20 0 DFADHO COc1ccc(CNCC2(C)CC[NH2+]CC2)c(Cl)c1OC ZINC000414899043 428450268 /nfs/dbraw/zinc/45/02/68/428450268.db2.gz GQQSSFANQXFBJC-UHFFFAOYSA-N 1 3 312.841 2.837 20 0 DFADHO C[C@@H](CC[NH3+])NCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414901857 428450303 /nfs/dbraw/zinc/45/03/03/428450303.db2.gz XQARTIHMOUPMTC-AWEZNQCLSA-N 1 3 313.449 2.887 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000414902214 428452384 /nfs/dbraw/zinc/45/23/84/428452384.db2.gz GWDDRAPWMQJBNM-HNAYVOBHSA-N 1 3 317.477 2.945 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000414902214 428452390 /nfs/dbraw/zinc/45/23/90/428452390.db2.gz GWDDRAPWMQJBNM-HNAYVOBHSA-N 1 3 317.477 2.945 20 0 DFADHO C[C@H]([NH3+])C1CCN(Cc2c(C3CC3)nc3sccn23)CC1 ZINC000347115851 428453376 /nfs/dbraw/zinc/45/33/76/428453376.db2.gz UFLCOGITAKJLTR-NSHDSACASA-N 1 3 304.463 2.832 20 0 DFADHO C[C@H]([NH3+])C1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000347117761 428454531 /nfs/dbraw/zinc/45/45/31/428454531.db2.gz UWCJUMNCGDHKKD-LBPRGKRZSA-N 1 3 302.447 2.764 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)c(C)c1 ZINC000414920512 428456242 /nfs/dbraw/zinc/45/62/42/428456242.db2.gz ZOKXWMXFSKIXNV-APWZRJJASA-N 1 3 317.477 3.000 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(C)CCCNC2)c(C)c1 ZINC000414920512 428456243 /nfs/dbraw/zinc/45/62/43/428456243.db2.gz ZOKXWMXFSKIXNV-APWZRJJASA-N 1 3 317.477 3.000 20 0 DFADHO Cc1ccc(N2CCC[N@H+](CCCN3CCCC3)CC2)cc1 ZINC000372536828 428456950 /nfs/dbraw/zinc/45/69/50/428456950.db2.gz PCWMRJALDONUID-UHFFFAOYSA-N 1 3 301.478 2.993 20 0 DFADHO Cc1ccc(N2CCC[N@@H+](CCCN3CCCC3)CC2)cc1 ZINC000372536828 428456955 /nfs/dbraw/zinc/45/69/55/428456955.db2.gz PCWMRJALDONUID-UHFFFAOYSA-N 1 3 301.478 2.993 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)c1C ZINC000414919145 428458036 /nfs/dbraw/zinc/45/80/36/428458036.db2.gz WGYXADVMBZCIPD-BEFAXECRSA-N 1 3 317.477 3.000 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(C)CCCNC2)c1C ZINC000414919145 428458039 /nfs/dbraw/zinc/45/80/39/428458039.db2.gz WGYXADVMBZCIPD-BEFAXECRSA-N 1 3 317.477 3.000 20 0 DFADHO Cc1ccc([C@H]([NH2+]CC2(O)CCN(C)CC2)C2CCCC2)o1 ZINC000342802505 428459813 /nfs/dbraw/zinc/45/98/13/428459813.db2.gz NFHZMUMCUJISIC-QGZVFWFLSA-N 1 3 306.450 2.866 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414936871 428462749 /nfs/dbraw/zinc/46/27/49/428462749.db2.gz HCCMGRFALIIINR-DZKIICNBSA-N 1 3 303.450 2.554 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414936871 428462755 /nfs/dbraw/zinc/46/27/55/428462755.db2.gz HCCMGRFALIIINR-DZKIICNBSA-N 1 3 303.450 2.554 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414943671 428464368 /nfs/dbraw/zinc/46/43/68/428464368.db2.gz FRSSGRMOPALYAK-IJEWVQPXSA-N 1 3 303.450 2.696 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414943671 428464371 /nfs/dbraw/zinc/46/43/71/428464371.db2.gz FRSSGRMOPALYAK-IJEWVQPXSA-N 1 3 303.450 2.696 20 0 DFADHO COc1cc(C[NH2+][C@@H](C)CN)ccc1OCc1cccs1 ZINC000414945329 428466344 /nfs/dbraw/zinc/46/63/44/428466344.db2.gz QCVJKLGAGOYFDH-LBPRGKRZSA-N 1 3 306.431 2.773 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000414950941 428469556 /nfs/dbraw/zinc/46/95/56/428469556.db2.gz PFNORRVOPSDFQZ-OFQRWUPVSA-N 1 3 303.450 2.751 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)c1C ZINC000414950941 428469561 /nfs/dbraw/zinc/46/95/61/428469561.db2.gz PFNORRVOPSDFQZ-OFQRWUPVSA-N 1 3 303.450 2.751 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414798536 428415079 /nfs/dbraw/zinc/41/50/79/428415079.db2.gz JKUVDTASYLXOCW-LPHOPBHVSA-N 1 3 319.468 2.550 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000414800133 428415567 /nfs/dbraw/zinc/41/55/67/428415567.db2.gz RVAHKBRZLIRYGM-GXTWGEPZSA-N 1 3 310.825 2.718 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000414953417 428469655 /nfs/dbraw/zinc/46/96/55/428469655.db2.gz ROVWSUAUPSXDAR-JYJNAYRXSA-N 1 3 303.450 2.751 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)c(C)c1 ZINC000414953417 428469660 /nfs/dbraw/zinc/46/96/60/428469660.db2.gz ROVWSUAUPSXDAR-JYJNAYRXSA-N 1 3 303.450 2.751 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CN)cc1O ZINC000414806443 428417795 /nfs/dbraw/zinc/41/77/95/428417795.db2.gz QHQGDRKHSCXGNS-NUEKZKHPSA-N 1 3 306.450 2.829 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414811014 428418479 /nfs/dbraw/zinc/41/84/79/428418479.db2.gz VWBVDZRMEVPQIT-XJKCOSOUSA-N 1 3 307.413 2.650 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414811014 428418485 /nfs/dbraw/zinc/41/84/85/428418485.db2.gz VWBVDZRMEVPQIT-XJKCOSOUSA-N 1 3 307.413 2.650 20 0 DFADHO COc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc(Cl)c1OC ZINC000414811802 428419144 /nfs/dbraw/zinc/41/91/44/428419144.db2.gz WOPTVYZGLFPXFK-TZMCWYRMSA-N 1 3 312.841 2.964 20 0 DFADHO CCC(N)(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000414815812 428420697 /nfs/dbraw/zinc/42/06/97/428420697.db2.gz YFMXKXVKYRFZEB-ZDUSSCGKSA-N 1 3 307.438 2.519 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NC[C@@H]1CCC[NH2+]C1 ZINC000414826814 428424380 /nfs/dbraw/zinc/42/43/80/428424380.db2.gz JREYPKDOFAMBPT-CHWSQXEVSA-N 1 3 309.841 2.646 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCNC1 ZINC000414826814 428424389 /nfs/dbraw/zinc/42/43/89/428424389.db2.gz JREYPKDOFAMBPT-CHWSQXEVSA-N 1 3 309.841 2.646 20 0 DFADHO CCOc1cccc(CNCC[C@@H]2CC[NH2+]C2)c1OC(F)F ZINC000414827769 428425722 /nfs/dbraw/zinc/42/57/22/428425722.db2.gz HTGLHNWDXMHXGT-LBPRGKRZSA-N 1 3 314.376 2.776 20 0 DFADHO CCNCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414834987 428426317 /nfs/dbraw/zinc/42/63/17/428426317.db2.gz ULJHXILHAROSAN-UHFFFAOYSA-N 1 3 313.848 2.643 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@H](C)Cc1ccc(Br)cc1F ZINC000414831580 428427229 /nfs/dbraw/zinc/42/72/29/428427229.db2.gz DDYCXGOCLUWXOC-WDEREUQCSA-N 1 3 317.246 2.964 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414837002 428430502 /nfs/dbraw/zinc/43/05/02/428430502.db2.gz VHWIMURDDCHURF-UONOGXRCSA-N 1 3 323.868 2.955 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCNC2)c(Cl)c1 ZINC000414837002 428430507 /nfs/dbraw/zinc/43/05/07/428430507.db2.gz VHWIMURDDCHURF-UONOGXRCSA-N 1 3 323.868 2.955 20 0 DFADHO Cn1c2ccc(Cl)cc2nc1CNC[C@H]1CCC[C@H]([NH3+])C1 ZINC000414994872 428483101 /nfs/dbraw/zinc/48/31/01/428483101.db2.gz DXSCVJVTESRERD-AAEUAGOBSA-N 1 3 306.841 2.834 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000360897337 428483839 /nfs/dbraw/zinc/48/38/39/428483839.db2.gz MAYSDQYRWKIVCX-IAGOWNOFSA-N 1 3 304.478 2.642 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414999948 428486376 /nfs/dbraw/zinc/48/63/76/428486376.db2.gz JQJIKOBCKZHVHY-BXUZGUMPSA-N 1 3 310.825 2.734 20 0 DFADHO c1nc(-c2ccncc2)sc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415012402 428489186 /nfs/dbraw/zinc/48/91/86/428489186.db2.gz SOHZNQWPTYWDHB-JKSUJKDBSA-N 1 3 314.458 2.683 20 0 DFADHO Cc1nc(COc2ccc(C[NH2+][C@@H](C)[C@H](C)N)cc2)cs1 ZINC000415019155 428490582 /nfs/dbraw/zinc/49/05/82/428490582.db2.gz ROKAOKXDJHXKAR-RYUDHWBXSA-N 1 3 305.447 2.856 20 0 DFADHO COc1ccc(OC(F)F)c(CN[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415029161 428492705 /nfs/dbraw/zinc/49/27/05/428492705.db2.gz DJRCUDLUIOSVIU-ZYHUDNBSSA-N 1 3 300.349 2.514 20 0 DFADHO COc1ccc(OC(F)F)c(CN[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415029157 428494176 /nfs/dbraw/zinc/49/41/76/428494176.db2.gz DJRCUDLUIOSVIU-CMPLNLGQSA-N 1 3 300.349 2.514 20 0 DFADHO [NH3+]C[C@@H]1CC[C@@H](NCc2csc(COc3ccccc3)n2)C1 ZINC000415036863 428495843 /nfs/dbraw/zinc/49/58/43/428495843.db2.gz LSUZDARCAHROLE-ZIAGYGMSSA-N 1 3 317.458 2.939 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCCC[C@H]1C)C1(C(=O)OC)CCC1 ZINC000353357607 428499575 /nfs/dbraw/zinc/49/95/75/428499575.db2.gz WJKGRJTUDLZRBE-CVEARBPZSA-N 1 3 310.482 2.962 20 0 DFADHO CC[C@H](NCCC[N@@H+]1CCCC[C@H]1C)C1(C(=O)OC)CCC1 ZINC000353357607 428499581 /nfs/dbraw/zinc/49/95/81/428499581.db2.gz WJKGRJTUDLZRBE-CVEARBPZSA-N 1 3 310.482 2.962 20 0 DFADHO CC[C@H](NCCC[N@H+]1CCCC[C@H]1C)C1(C(=O)OC)CCC1 ZINC000353357607 428499586 /nfs/dbraw/zinc/49/95/86/428499586.db2.gz WJKGRJTUDLZRBE-CVEARBPZSA-N 1 3 310.482 2.962 20 0 DFADHO Cc1ccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000415053499 428501292 /nfs/dbraw/zinc/50/12/92/428501292.db2.gz KCHWTBBOFXXQGQ-DNVCBOLYSA-N 1 3 312.461 2.812 20 0 DFADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CN)C2)c(-c2ccnn2C)c1 ZINC000415053499 428501299 /nfs/dbraw/zinc/50/12/99/428501299.db2.gz KCHWTBBOFXXQGQ-DNVCBOLYSA-N 1 3 312.461 2.812 20 0 DFADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c(-c2ccnn2C)c1 ZINC000415053499 428501305 /nfs/dbraw/zinc/50/13/05/428501305.db2.gz KCHWTBBOFXXQGQ-DNVCBOLYSA-N 1 3 312.461 2.812 20 0 DFADHO CC(C)C[C@@H]([NH2+][C@H](C)C1CCCCC1)C(=O)NCCN(C)C ZINC000347231838 428503449 /nfs/dbraw/zinc/50/34/49/428503449.db2.gz PMLGJLAJXWRUOF-NVXWUHKLSA-N 1 3 311.514 2.637 20 0 DFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CN1C1CC1 ZINC000372967060 428507166 /nfs/dbraw/zinc/50/71/66/428507166.db2.gz SWWJDLFHQYTAHK-IIDMSEBBSA-N 1 3 319.493 2.525 20 0 DFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CN1C1CC1 ZINC000372967060 428507171 /nfs/dbraw/zinc/50/71/71/428507171.db2.gz SWWJDLFHQYTAHK-IIDMSEBBSA-N 1 3 319.493 2.525 20 0 DFADHO COc1ccc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000415075761 428508359 /nfs/dbraw/zinc/50/83/59/428508359.db2.gz ACBJQKPFHNCIRD-RCCFBDPRSA-N 1 3 304.434 2.584 20 0 DFADHO CCN1CCCC[C@@H]1C[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000415082896 428512442 /nfs/dbraw/zinc/51/24/42/428512442.db2.gz PAQBRQUYNQYJLM-IPMKNSEASA-N 1 3 301.478 2.944 20 0 DFADHO C[C@H](C[C@H]1CCC[NH2+]1)NCCc1nccn1Cc1ccccc1 ZINC000415085589 428514752 /nfs/dbraw/zinc/51/47/52/428514752.db2.gz QWGRYOUQSZTCPX-SJLPKXTDSA-N 1 3 312.461 2.594 20 0 DFADHO C[C@H]([NH2+]C1CCNCC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000415087822 428515723 /nfs/dbraw/zinc/51/57/23/428515723.db2.gz VASUIDILOVZOHE-HNAYVOBHSA-N 1 3 318.461 2.653 20 0 DFADHO C[C@@]1(CNCCc2ccccc2OC(F)(F)F)CC[NH2+]C1 ZINC000415089324 428516342 /nfs/dbraw/zinc/51/63/42/428516342.db2.gz WFCQHXRUDSPZMO-AWEZNQCLSA-N 1 3 302.340 2.717 20 0 DFADHO COc1ccc(C(C)(C)CNC[C@H]([NH3+])CC(C)C)cc1OC ZINC000415085216 428516444 /nfs/dbraw/zinc/51/64/44/428516444.db2.gz SCIPZQRGKUAPQN-OAHLLOKOSA-N 1 3 308.466 2.944 20 0 DFADHO Brc1ccccc1C1(C[NH2+]C2CCNCC2)CC1 ZINC000415089724 428516602 /nfs/dbraw/zinc/51/66/02/428516602.db2.gz WPKRGENQBNNXRB-UHFFFAOYSA-N 1 3 309.251 2.822 20 0 DFADHO Brc1ccccc1C1(CNC2CC[NH2+]CC2)CC1 ZINC000415089724 428516608 /nfs/dbraw/zinc/51/66/08/428516608.db2.gz WPKRGENQBNNXRB-UHFFFAOYSA-N 1 3 309.251 2.822 20 0 DFADHO C[C@H](N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000398026307 428517732 /nfs/dbraw/zinc/51/77/32/428517732.db2.gz MBFOMZVZAUHZIA-UKBAYJJMSA-N 1 3 301.478 2.770 20 0 DFADHO Cc1ccc(F)cc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415100557 428519432 /nfs/dbraw/zinc/51/94/32/428519432.db2.gz APNVTUUADNJSPC-MSOLQXFVSA-N 1 3 306.425 2.852 20 0 DFADHO CCN1CCN(c2cccc(N[C@@H](C)C[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000415101841 428522076 /nfs/dbraw/zinc/52/20/76/428522076.db2.gz IJGPZNXGFNNEFW-IRXDYDNUSA-N 1 3 316.493 2.771 20 0 DFADHO CC[C@H](C)C[NH2+]Cc1ccccc1CN1CCN(CC)CC1 ZINC000357417075 428523506 /nfs/dbraw/zinc/52/35/06/428523506.db2.gz NQRBXFDUZHJBGS-KRWDZBQOSA-N 1 3 303.494 2.960 20 0 DFADHO Clc1ccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415123169 428528375 /nfs/dbraw/zinc/52/83/75/428528375.db2.gz AFDBKCUMJGHVAK-CVEARBPZSA-N 1 3 306.837 2.540 20 0 DFADHO C[C@H](NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000390551563 428472524 /nfs/dbraw/zinc/47/25/24/428472524.db2.gz CQNYNUHPGGPHCA-WDSOQIARSA-N 1 3 301.478 2.771 20 0 DFADHO CN[C@H](C)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414973703 428476789 /nfs/dbraw/zinc/47/67/89/428476789.db2.gz KRMDDPWADQBUMR-GFCCVEGCSA-N 1 3 313.848 2.641 20 0 DFADHO C[NH2+][C@H](C)CNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414973703 428476793 /nfs/dbraw/zinc/47/67/93/428476793.db2.gz KRMDDPWADQBUMR-GFCCVEGCSA-N 1 3 313.848 2.641 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCNCC2(C)C)cc1F ZINC000414974586 428477261 /nfs/dbraw/zinc/47/72/61/428477261.db2.gz NRZBYBZUIOCPDG-GUYCJALGSA-N 1 3 308.441 2.991 20 0 DFADHO COc1cc2c(c(CNCCC[C@@H]3CCC[NH2+]3)c1)O[C@@H](C)C2 ZINC000414976364 428479127 /nfs/dbraw/zinc/47/91/27/428479127.db2.gz PRCYMJQPRUOOTJ-XJKSGUPXSA-N 1 3 304.434 2.640 20 0 DFADHO CC[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)N(CC)CC ZINC000358123532 428583616 /nfs/dbraw/zinc/58/36/16/428583616.db2.gz MVWIQEPVDJLRFK-XYJFISCASA-N 1 3 323.525 2.876 20 0 DFADHO CC[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)N(CC)CC ZINC000358123532 428583623 /nfs/dbraw/zinc/58/36/23/428583623.db2.gz MVWIQEPVDJLRFK-XYJFISCASA-N 1 3 323.525 2.876 20 0 DFADHO Cc1ccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000415133408 428533102 /nfs/dbraw/zinc/53/31/02/428533102.db2.gz VFLCKXGGIRCFSR-DOTOQJQBSA-N 1 3 312.461 2.812 20 0 DFADHO NCc1cn([C@@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)nn1 ZINC000415130691 428533292 /nfs/dbraw/zinc/53/32/92/428533292.db2.gz RKDUWHYYOCVETM-GOSISDBHSA-N 1 3 321.428 2.727 20 0 DFADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)nn1 ZINC000415130691 428533296 /nfs/dbraw/zinc/53/32/96/428533296.db2.gz RKDUWHYYOCVETM-GOSISDBHSA-N 1 3 321.428 2.727 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353432877 428534260 /nfs/dbraw/zinc/53/42/60/428534260.db2.gz DAUUGWIXTHOOLE-FUMNGEBKSA-N 1 3 313.489 2.723 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353432877 428534262 /nfs/dbraw/zinc/53/42/62/428534262.db2.gz DAUUGWIXTHOOLE-FUMNGEBKSA-N 1 3 313.489 2.723 20 0 DFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353432877 428534265 /nfs/dbraw/zinc/53/42/65/428534265.db2.gz DAUUGWIXTHOOLE-FUMNGEBKSA-N 1 3 313.489 2.723 20 0 DFADHO CNC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000358269316 428593801 /nfs/dbraw/zinc/59/38/01/428593801.db2.gz UOPREWCUARDSMO-DDBAPUKQSA-N 1 3 321.509 2.534 20 0 DFADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000358269316 428593808 /nfs/dbraw/zinc/59/38/08/428593808.db2.gz UOPREWCUARDSMO-DDBAPUKQSA-N 1 3 321.509 2.534 20 0 DFADHO C[C@H](NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400327729 428543345 /nfs/dbraw/zinc/54/33/45/428543345.db2.gz CTKXVWOWMXOVQS-WDSOQIARSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@H](NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400327724 428544098 /nfs/dbraw/zinc/54/40/98/428544098.db2.gz CTKXVWOWMXOVQS-QXAKKESOSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@H](NCCc1ccc(Br)s1)[C@H]1CC[NH2+]C1 ZINC000400360520 428544235 /nfs/dbraw/zinc/54/42/35/428544235.db2.gz NLNRRQUURLLENQ-UWVGGRQHSA-N 1 3 303.269 2.641 20 0 DFADHO C[C@H](NC[C@@]1(C)CCCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400442859 428545326 /nfs/dbraw/zinc/54/53/26/428545326.db2.gz ORTZYHYOGOKLQT-QXAKKESOSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@H](NC[C@]1(C)CCCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400442861 428545811 /nfs/dbraw/zinc/54/58/11/428545811.db2.gz ORTZYHYOGOKLQT-UHOSZYNNSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@H](CNC[C@@H](O)C[NH+]1CCC(C)CC1)Cc1ccccc1 ZINC000347334634 428549995 /nfs/dbraw/zinc/54/99/95/428549995.db2.gz RNICMNQDROLGJS-PKOBYXMFSA-N 1 3 304.478 2.548 20 0 DFADHO COCCOc1ccccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000353465824 428550136 /nfs/dbraw/zinc/55/01/36/428550136.db2.gz ZLDCRVUWTKJLMC-RCCFBDPRSA-N 1 3 318.461 2.674 20 0 DFADHO C[N@H+](C[C@@H]1CCSC1)CC1CCN(c2ccncc2)CC1 ZINC000373330229 428550465 /nfs/dbraw/zinc/55/04/65/428550465.db2.gz CWOIZPOUZMKFRH-INIZCTEOSA-N 1 3 305.491 2.983 20 0 DFADHO C[N@@H+](C[C@@H]1CCSC1)CC1CCN(c2ccncc2)CC1 ZINC000373330229 428550468 /nfs/dbraw/zinc/55/04/68/428550468.db2.gz CWOIZPOUZMKFRH-INIZCTEOSA-N 1 3 305.491 2.983 20 0 DFADHO Brc1ccsc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401033256 428552048 /nfs/dbraw/zinc/55/20/48/428552048.db2.gz XWDYNFKOTALQDH-GARJFASQSA-N 1 3 315.280 2.988 20 0 DFADHO CC(C)N(C)CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000361328775 428557364 /nfs/dbraw/zinc/55/73/64/428557364.db2.gz QYKBXJYYPFGGOB-MJGOQNOKSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@@H](Cc1ccccc1)C[NH+]1CCC(OCCN(C)C)CC1 ZINC000347356477 428563837 /nfs/dbraw/zinc/56/38/37/428563837.db2.gz RDNUYSHLQRUVIS-KRWDZBQOSA-N 1 3 304.478 2.908 20 0 DFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@H]1C ZINC000373391406 428564610 /nfs/dbraw/zinc/56/46/10/428564610.db2.gz VSJMTVFLLOTACO-RLFYNMQTSA-N 1 3 322.493 2.961 20 0 DFADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000415905212 428623135 /nfs/dbraw/zinc/62/31/35/428623135.db2.gz TXTJZGJHRRZPLE-OAHLLOKOSA-N 1 3 318.465 2.648 20 0 DFADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000415917227 428626149 /nfs/dbraw/zinc/62/61/49/428626149.db2.gz CJOCKFREMNBATP-INIZCTEOSA-N 1 3 318.465 2.648 20 0 DFADHO C[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)C2CCCC2)c1 ZINC000415939634 428632284 /nfs/dbraw/zinc/63/22/84/428632284.db2.gz CQLHOGWSTXBFGO-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO C[C@@H]1CC[C@@H](C[N@H+](C)CC2CCN(c3ccncc3)CC2)O1 ZINC000373699293 428635868 /nfs/dbraw/zinc/63/58/68/428635868.db2.gz IBANVXDHUBJGFH-QAPCUYQASA-N 1 3 303.450 2.797 20 0 DFADHO C[C@@H]1CC[C@@H](C[N@@H+](C)CC2CCN(c3ccncc3)CC2)O1 ZINC000373699293 428635873 /nfs/dbraw/zinc/63/58/73/428635873.db2.gz IBANVXDHUBJGFH-QAPCUYQASA-N 1 3 303.450 2.797 20 0 DFADHO CC1CC[NH+](CCCNC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000416014823 428648427 /nfs/dbraw/zinc/64/84/27/428648427.db2.gz SPTZAONJIONJEK-UHFFFAOYSA-N 1 3 316.449 2.533 20 0 DFADHO CC1=C[C@@H](C)C[C@@H](C[NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000353668726 428649843 /nfs/dbraw/zinc/64/98/43/428649843.db2.gz ABKCOUUBALTORF-SJLPKXTDSA-N 1 3 321.509 2.561 20 0 DFADHO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185678174 274250283 /nfs/dbraw/zinc/25/02/83/274250283.db2.gz XZELOUXRFLMRIM-SUMDDJOVSA-N 1 3 302.462 2.963 20 0 DFADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCOc1ccccc1 ZINC000362219011 428663874 /nfs/dbraw/zinc/66/38/74/428663874.db2.gz JVRZVOGQWOYAOZ-NEWSRXKRSA-N 1 3 318.461 2.544 20 0 DFADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCOc1ccccc1 ZINC000362219011 428663878 /nfs/dbraw/zinc/66/38/78/428663878.db2.gz JVRZVOGQWOYAOZ-NEWSRXKRSA-N 1 3 318.461 2.544 20 0 DFADHO C(CCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)CC1CCOCC1 ZINC000374155068 428665607 /nfs/dbraw/zinc/66/56/07/428665607.db2.gz AASQGWCNUYWOPP-GUDVDZBRSA-N 1 3 306.494 2.999 20 0 DFADHO C(CCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)CC1CCOCC1 ZINC000374155068 428665610 /nfs/dbraw/zinc/66/56/10/428665610.db2.gz AASQGWCNUYWOPP-GUDVDZBRSA-N 1 3 306.494 2.999 20 0 DFADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCCOc1ccccc1 ZINC000362219012 428663261 /nfs/dbraw/zinc/66/32/61/428663261.db2.gz JVRZVOGQWOYAOZ-NZSAHSFTSA-N 1 3 318.461 2.544 20 0 DFADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCCOc1ccccc1 ZINC000362219012 428663266 /nfs/dbraw/zinc/66/32/66/428663266.db2.gz JVRZVOGQWOYAOZ-NZSAHSFTSA-N 1 3 318.461 2.544 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccccc1-c1cnn(C)c1 ZINC000371429741 274340133 /nfs/dbraw/zinc/34/01/33/274340133.db2.gz GUVMATOHMMMWRI-CLCXKQKWSA-N 1 3 312.461 2.905 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccccc1-c1cnn(C)c1 ZINC000371429741 274340136 /nfs/dbraw/zinc/34/01/36/274340136.db2.gz GUVMATOHMMMWRI-CLCXKQKWSA-N 1 3 312.461 2.905 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000155440969 274340626 /nfs/dbraw/zinc/34/06/26/274340626.db2.gz CDKWBHNNKGYBNK-GKLJAUDBSA-N 1 3 323.431 2.862 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000155440969 274340628 /nfs/dbraw/zinc/34/06/28/274340628.db2.gz CDKWBHNNKGYBNK-GKLJAUDBSA-N 1 3 323.431 2.862 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000358774969 428669376 /nfs/dbraw/zinc/66/93/76/428669376.db2.gz OEAHSGFGNKTALJ-OLMNPRSZSA-N 1 3 316.493 2.900 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000358774969 428669381 /nfs/dbraw/zinc/66/93/81/428669381.db2.gz OEAHSGFGNKTALJ-OLMNPRSZSA-N 1 3 316.493 2.900 20 0 DFADHO CO[C@]1(C)CCCN(C/C=C\C[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348235609 428671124 /nfs/dbraw/zinc/67/11/24/428671124.db2.gz MDCGKDCUNDDIEV-OSFIAYCASA-N 1 3 310.482 2.544 20 0 DFADHO CO[C@]1(C)CCCN(C/C=C\C[N@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348235609 428671128 /nfs/dbraw/zinc/67/11/28/428671128.db2.gz MDCGKDCUNDDIEV-OSFIAYCASA-N 1 3 310.482 2.544 20 0 DFADHO CN(C)[C@@H](CC(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000416147147 428675318 /nfs/dbraw/zinc/67/53/18/428675318.db2.gz QZIOHONNLJSVOX-SFHVURJKSA-N 1 3 317.477 2.528 20 0 DFADHO c1ccc(CN2C[C@@H]3[C@H]([NH2+]CC4=CCCOC4)CC[C@@H]3C2)cc1 ZINC000374605482 428709271 /nfs/dbraw/zinc/70/92/71/428709271.db2.gz PGAXWZXMADZFIO-HSALFYBXSA-N 1 3 312.457 2.833 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3[C@H](NCC4=CCCOC4)CC[C@@H]3C2)cc1 ZINC000374605482 428709273 /nfs/dbraw/zinc/70/92/73/428709273.db2.gz PGAXWZXMADZFIO-HSALFYBXSA-N 1 3 312.457 2.833 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3[C@H](NCC4=CCCOC4)CC[C@@H]3C2)cc1 ZINC000374605482 428709275 /nfs/dbraw/zinc/70/92/75/428709275.db2.gz PGAXWZXMADZFIO-HSALFYBXSA-N 1 3 312.457 2.833 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1=CCCCC1 ZINC000358869526 428713637 /nfs/dbraw/zinc/71/36/37/428713637.db2.gz FLELOKYJTZEQQP-GOSISDBHSA-N 1 3 321.509 2.751 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1=CCCCC1 ZINC000358869526 428713640 /nfs/dbraw/zinc/71/36/40/428713640.db2.gz FLELOKYJTZEQQP-GOSISDBHSA-N 1 3 321.509 2.751 20 0 DFADHO Cc1cc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(C)s1 ZINC000374626512 428716434 /nfs/dbraw/zinc/71/64/34/428716434.db2.gz VVRHAUIKNAIZAJ-CQSZACIVSA-N 1 3 321.534 2.965 20 0 DFADHO Cc1cc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)c(C)s1 ZINC000374626512 428716437 /nfs/dbraw/zinc/71/64/37/428716437.db2.gz VVRHAUIKNAIZAJ-CQSZACIVSA-N 1 3 321.534 2.965 20 0 DFADHO Cc1cc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)c(C)s1 ZINC000374626512 428716441 /nfs/dbraw/zinc/71/64/41/428716441.db2.gz VVRHAUIKNAIZAJ-CQSZACIVSA-N 1 3 321.534 2.965 20 0 DFADHO CCn1cc(CCN[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)cn1 ZINC000348359996 428718252 /nfs/dbraw/zinc/71/82/52/428718252.db2.gz BKYFQQRDTBJNIJ-QZTJIDSGSA-N 1 3 306.498 2.936 20 0 DFADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCc1cnn(CC)c1 ZINC000348359996 428718258 /nfs/dbraw/zinc/71/82/58/428718258.db2.gz BKYFQQRDTBJNIJ-QZTJIDSGSA-N 1 3 306.498 2.936 20 0 DFADHO CCn1cc(CC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cn1 ZINC000348376065 428724969 /nfs/dbraw/zinc/72/49/69/428724969.db2.gz IYCRZYZPQBZYMN-WBVHZDCISA-N 1 3 304.482 2.688 20 0 DFADHO CCn1cc(CCN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000348376065 428724975 /nfs/dbraw/zinc/72/49/75/428724975.db2.gz IYCRZYZPQBZYMN-WBVHZDCISA-N 1 3 304.482 2.688 20 0 DFADHO CCn1cc(CCN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000348376065 428724979 /nfs/dbraw/zinc/72/49/79/428724979.db2.gz IYCRZYZPQBZYMN-WBVHZDCISA-N 1 3 304.482 2.688 20 0 DFADHO CCn1cc(CC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cn1 ZINC000348376064 428726292 /nfs/dbraw/zinc/72/62/92/428726292.db2.gz IYCRZYZPQBZYMN-RDJZCZTQSA-N 1 3 304.482 2.688 20 0 DFADHO CCn1cc(CCN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000348376064 428726297 /nfs/dbraw/zinc/72/62/97/428726297.db2.gz IYCRZYZPQBZYMN-RDJZCZTQSA-N 1 3 304.482 2.688 20 0 DFADHO CCn1cc(CCN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000348376064 428726303 /nfs/dbraw/zinc/72/63/03/428726303.db2.gz IYCRZYZPQBZYMN-RDJZCZTQSA-N 1 3 304.482 2.688 20 0 DFADHO C[C@@H](NC(=O)C[C@@H](c1ccccc1)N(C)C)C(C)(C)C[NH+](C)C ZINC000416155760 428679465 /nfs/dbraw/zinc/67/94/65/428679465.db2.gz NEQDETWHYCWCMW-WBVHZDCISA-N 1 3 319.493 2.772 20 0 DFADHO CCC[N@H+](CC)CCNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416171583 428680148 /nfs/dbraw/zinc/68/01/48/428680148.db2.gz RBPJNSMPFLZXJP-QGZVFWFLSA-N 1 3 305.466 2.528 20 0 DFADHO CCC[N@@H+](CC)CCNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416171583 428680154 /nfs/dbraw/zinc/68/01/54/428680154.db2.gz RBPJNSMPFLZXJP-QGZVFWFLSA-N 1 3 305.466 2.528 20 0 DFADHO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000374497747 428686748 /nfs/dbraw/zinc/68/67/48/428686748.db2.gz RUFATZVCNMPUNC-ZOCIIQOWSA-N 1 3 318.461 2.845 20 0 DFADHO CN(C)[C@@H](CC(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000416225786 428692331 /nfs/dbraw/zinc/69/23/31/428692331.db2.gz TXXROCRBBMSLJL-MSOLQXFVSA-N 1 3 317.477 2.622 20 0 DFADHO C[C@H](C(=O)N[C@H](CN(C)C)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411185932 428753636 /nfs/dbraw/zinc/75/36/36/428753636.db2.gz OLBBKNCWSYEFGF-KYHPRHEASA-N 1 3 317.477 2.667 20 0 DFADHO C[C@H](C(=O)N[C@H](CN(C)C)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411185932 428753641 /nfs/dbraw/zinc/75/36/41/428753641.db2.gz OLBBKNCWSYEFGF-KYHPRHEASA-N 1 3 317.477 2.667 20 0 DFADHO COC(=O)[C@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411175588 428754230 /nfs/dbraw/zinc/75/42/30/428754230.db2.gz DKIJYJOIHGPELL-SFHVURJKSA-N 1 3 316.445 2.667 20 0 DFADHO CC(CCN1[C@H](C)COC[C@@H]1C)CC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000411279760 428769870 /nfs/dbraw/zinc/76/98/70/428769870.db2.gz CPOQESGOWCNVNE-USTZCAOPSA-N 1 3 312.498 2.621 20 0 DFADHO CC(CCN1[C@H](C)COC[C@@H]1C)CC[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000411279760 428769873 /nfs/dbraw/zinc/76/98/73/428769873.db2.gz CPOQESGOWCNVNE-USTZCAOPSA-N 1 3 312.498 2.621 20 0 DFADHO CN1CC=C(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000345145055 428770970 /nfs/dbraw/zinc/77/09/70/428770970.db2.gz RTOOZVOUKRXDCF-IBGZPJMESA-N 1 3 316.445 2.596 20 0 DFADHO CC[NH+](CC)CCOCCNCc1cc(F)cc(Cl)c1 ZINC000362518806 428780909 /nfs/dbraw/zinc/78/09/09/428780909.db2.gz JQMNYYLSELVQBZ-UHFFFAOYSA-N 1 3 302.821 2.927 20 0 DFADHO COC(=O)C(C)(C)CCNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000353935048 428785454 /nfs/dbraw/zinc/78/54/54/428785454.db2.gz UJFQMLVMIWCEEH-UHFFFAOYSA-N 1 3 318.461 2.961 20 0 DFADHO CC[C@@H]1CN(CCC(C)CC[N@@H+]2CCO[C@H](CC)C2)CCO1 ZINC000411162158 428750656 /nfs/dbraw/zinc/75/06/56/428750656.db2.gz GKKWYWYECUNNTF-QZTJIDSGSA-N 1 3 312.498 2.624 20 0 DFADHO CC[C@@H]1CN(CCC(C)CC[N@H+]2CCO[C@H](CC)C2)CCO1 ZINC000411162158 428750661 /nfs/dbraw/zinc/75/06/61/428750661.db2.gz GKKWYWYECUNNTF-QZTJIDSGSA-N 1 3 312.498 2.624 20 0 DFADHO CCn1nccc1CCN1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000374778281 428751222 /nfs/dbraw/zinc/75/12/22/428751222.db2.gz NBSWQAKLEAVSTR-UHFFFAOYSA-N 1 3 318.509 2.889 20 0 DFADHO COC(=O)[C@@H](C)CN(C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411169964 428752188 /nfs/dbraw/zinc/75/21/88/428752188.db2.gz FZLDIQMHVTWYTN-INIZCTEOSA-N 1 3 318.461 2.913 20 0 DFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccccc1CN(C)C ZINC000362606382 428794572 /nfs/dbraw/zinc/79/45/72/428794572.db2.gz NWRAWGOBDPHUQE-HZPDHXFCSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccccc1CN(C)C ZINC000362606382 428794579 /nfs/dbraw/zinc/79/45/79/428794579.db2.gz NWRAWGOBDPHUQE-HZPDHXFCSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCCCC1 ZINC000359067286 428802775 /nfs/dbraw/zinc/80/27/75/428802775.db2.gz VWXKEDKWJWRWRT-AEFFLSMTSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCCCC1 ZINC000359067286 428802781 /nfs/dbraw/zinc/80/27/81/428802781.db2.gz VWXKEDKWJWRWRT-AEFFLSMTSA-N 1 3 321.509 2.630 20 0 DFADHO O[C@@H]1CC[C@H]2C[N@H+](Cc3cccc(CN4CCCCC4)c3)C[C@@H]12 ZINC000411499587 428806106 /nfs/dbraw/zinc/80/61/06/428806106.db2.gz DERRIAIANLXDQK-XUVXKRRUSA-N 1 3 314.473 2.875 20 0 DFADHO O[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(CN4CCCCC4)c3)C[C@@H]12 ZINC000411499587 428806110 /nfs/dbraw/zinc/80/61/10/428806110.db2.gz DERRIAIANLXDQK-XUVXKRRUSA-N 1 3 314.473 2.875 20 0 DFADHO CC[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1cccs1 ZINC000411514542 428807150 /nfs/dbraw/zinc/80/71/50/428807150.db2.gz RZQNMNLXSXRINZ-HNNXBMFYSA-N 1 3 323.506 2.778 20 0 DFADHO CCCCNC(=O)CCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411520631 428811828 /nfs/dbraw/zinc/81/18/28/428811828.db2.gz WJUAIHRATUICRI-HZPDHXFCSA-N 1 3 309.498 2.535 20 0 DFADHO CCCCNC(=O)CCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411520631 428811832 /nfs/dbraw/zinc/81/18/32/428811832.db2.gz WJUAIHRATUICRI-HZPDHXFCSA-N 1 3 309.498 2.535 20 0 DFADHO CCCCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000411520631 428811835 /nfs/dbraw/zinc/81/18/35/428811835.db2.gz WJUAIHRATUICRI-HZPDHXFCSA-N 1 3 309.498 2.535 20 0 DFADHO CC(=O)N1CCC([NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000359116728 428824611 /nfs/dbraw/zinc/82/46/11/428824611.db2.gz QRWDKFSYUNGOOF-BEFAXECRSA-N 1 3 321.509 2.630 20 0 DFADHO CC(=O)N1CCC(NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000359116728 428824615 /nfs/dbraw/zinc/82/46/15/428824615.db2.gz QRWDKFSYUNGOOF-BEFAXECRSA-N 1 3 321.509 2.630 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2CCC(C)C)CC1 ZINC000411607769 428825742 /nfs/dbraw/zinc/82/57/42/428825742.db2.gz KERZYBBYOCNQPA-SJLPKXTDSA-N 1 3 323.525 2.781 20 0 DFADHO CN(Cc1ccc(C[NH+]2CCCCC2)cc1)CC1(CO)CC1 ZINC000411619917 428825886 /nfs/dbraw/zinc/82/58/86/428825886.db2.gz WHOXRJDZYRXTLT-UHFFFAOYSA-N 1 3 302.462 2.877 20 0 DFADHO CC1(C)CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000411675633 428838040 /nfs/dbraw/zinc/83/80/40/428838040.db2.gz PELYZNJWPVKORP-SFHVURJKSA-N 1 3 302.462 2.875 20 0 DFADHO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CCc2cncs2)C1 ZINC000411689974 428841876 /nfs/dbraw/zinc/84/18/76/428841876.db2.gz OEXVTNHNNBQPSP-MRXNPFEDSA-N 1 3 316.474 2.535 20 0 DFADHO C[N@H+](Cc1cccnc1)C[C@H]1CCN(CCc2cncs2)C1 ZINC000411689974 428841881 /nfs/dbraw/zinc/84/18/81/428841881.db2.gz OEXVTNHNNBQPSP-MRXNPFEDSA-N 1 3 316.474 2.535 20 0 DFADHO COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)c(C)n1 ZINC000354166320 428895139 /nfs/dbraw/zinc/89/51/39/428895139.db2.gz KUARYDYOUPZDBY-GOSISDBHSA-N 1 3 303.450 2.625 20 0 DFADHO COc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)c(C)n1 ZINC000354166320 428895141 /nfs/dbraw/zinc/89/51/41/428895141.db2.gz KUARYDYOUPZDBY-GOSISDBHSA-N 1 3 303.450 2.625 20 0 DFADHO CCOC(=O)CCNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375471144 428895777 /nfs/dbraw/zinc/89/57/77/428895777.db2.gz PVQHAHJPILENAO-SJLPKXTDSA-N 1 3 304.434 2.612 20 0 DFADHO CCOC(=O)CCNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375471144 428895782 /nfs/dbraw/zinc/89/57/82/428895782.db2.gz PVQHAHJPILENAO-SJLPKXTDSA-N 1 3 304.434 2.612 20 0 DFADHO C[N@H+](C[C@H](O)CN1C[C@@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984829 428903133 /nfs/dbraw/zinc/90/31/33/428903133.db2.gz NGCDORXRBQWCIQ-OALUTQOASA-N 1 3 314.473 2.711 20 0 DFADHO C[N@@H+](C[C@H](O)CN1C[C@@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984829 428903134 /nfs/dbraw/zinc/90/31/34/428903134.db2.gz NGCDORXRBQWCIQ-OALUTQOASA-N 1 3 314.473 2.711 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(F)c1 ZINC000349064568 428912498 /nfs/dbraw/zinc/91/24/98/428912498.db2.gz VLXVLFGSQWHCHM-GOSISDBHSA-N 1 3 307.457 2.674 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(F)c1 ZINC000349064568 428912504 /nfs/dbraw/zinc/91/25/04/428912504.db2.gz VLXVLFGSQWHCHM-GOSISDBHSA-N 1 3 307.457 2.674 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000349117043 428924271 /nfs/dbraw/zinc/92/42/71/428924271.db2.gz JDLCVQAQLZPDEG-DLBZAZTESA-N 1 3 309.498 2.632 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000349117043 428924275 /nfs/dbraw/zinc/92/42/75/428924275.db2.gz JDLCVQAQLZPDEG-DLBZAZTESA-N 1 3 309.498 2.632 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000349147416 428929191 /nfs/dbraw/zinc/92/91/91/428929191.db2.gz XTLIIYIZCLGORM-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000349147416 428929196 /nfs/dbraw/zinc/92/91/96/428929196.db2.gz XTLIIYIZCLGORM-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO Cc1nccn1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000363546380 428941044 /nfs/dbraw/zinc/94/10/44/428941044.db2.gz RAAIZTXJOLXOHD-UHFFFAOYSA-N 1 3 304.482 2.968 20 0 DFADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC000345586294 428948849 /nfs/dbraw/zinc/94/88/49/428948849.db2.gz NZQJRLXMPKFLLC-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC000345586294 428948855 /nfs/dbraw/zinc/94/88/55/428948855.db2.gz NZQJRLXMPKFLLC-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO Cc1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)c(C)c1 ZINC000349296279 428957519 /nfs/dbraw/zinc/95/75/19/428957519.db2.gz LKXUQQOKAMDAKB-GOSISDBHSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)c(C)c1 ZINC000349296279 428957524 /nfs/dbraw/zinc/95/75/24/428957524.db2.gz LKXUQQOKAMDAKB-GOSISDBHSA-N 1 3 315.505 2.904 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCCNC2)c(C)c1OC ZINC000423545870 428968186 /nfs/dbraw/zinc/96/81/86/428968186.db2.gz DXCJSRHSUAPKHG-CJNGLKHVSA-N 1 3 306.450 2.675 20 0 DFADHO c1ccc([C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2cncnc2)cc1 ZINC000423541401 428969798 /nfs/dbraw/zinc/96/97/98/428969798.db2.gz KUJPWXZSJDNPAK-ISARSNTHSA-N 1 3 308.429 2.544 20 0 DFADHO CC(C)(C)[C@H](N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423778518 429015720 /nfs/dbraw/zinc/01/57/20/429015720.db2.gz TZRSFELBWMIQET-MRXNPFEDSA-N 1 3 303.450 2.637 20 0 DFADHO CC[NH+](CC)[C@H]1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000433372201 429027402 /nfs/dbraw/zinc/02/74/02/429027402.db2.gz DGIJRDCFPDFGQE-ROUUACIJSA-N 1 3 317.477 2.622 20 0 DFADHO CC[C@H]([NH2+]CC1(N)CCN(Cc2ccccc2)CC1)C1CC1 ZINC000423578367 428973467 /nfs/dbraw/zinc/97/34/67/428973467.db2.gz UKHZBJFHYFXPEO-SFHVURJKSA-N 1 3 301.478 2.758 20 0 DFADHO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000349384254 428979479 /nfs/dbraw/zinc/97/94/79/428979479.db2.gz WGVLVCPONYWKJS-BZOVTKSESA-N 1 3 306.450 2.605 20 0 DFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000354409431 428981538 /nfs/dbraw/zinc/98/15/38/428981538.db2.gz SLFLIVVDYIUAQE-ZWKOTPCHSA-N 1 3 323.525 2.878 20 0 DFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000354409431 428981545 /nfs/dbraw/zinc/98/15/45/428981545.db2.gz SLFLIVVDYIUAQE-ZWKOTPCHSA-N 1 3 323.525 2.878 20 0 DFADHO OCC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC(c2ccccc2)C1 ZINC000433085625 428992311 /nfs/dbraw/zinc/99/23/11/428992311.db2.gz WZCGYEUPSRNUCK-FUFFSDJGSA-N 1 3 314.473 2.759 20 0 DFADHO OCC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC(c2ccccc2)C1 ZINC000433085625 428992319 /nfs/dbraw/zinc/99/23/19/428992319.db2.gz WZCGYEUPSRNUCK-FUFFSDJGSA-N 1 3 314.473 2.759 20 0 DFADHO Cc1cccc(N2CCC([NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)CC2)n1 ZINC000363791588 428994357 /nfs/dbraw/zinc/99/43/57/428994357.db2.gz TXPNALLYMJSDBD-QILLFSRXSA-N 1 3 316.493 2.677 20 0 DFADHO CCc1ccc([C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375897129 429010431 /nfs/dbraw/zinc/01/04/31/429010431.db2.gz DJEKRPFJFNDABN-NCXUSEDFSA-N 1 3 302.462 2.745 20 0 DFADHO CCc1ccc([C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375897129 429010437 /nfs/dbraw/zinc/01/04/37/429010437.db2.gz DJEKRPFJFNDABN-NCXUSEDFSA-N 1 3 302.462 2.745 20 0 DFADHO C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423774178 429014634 /nfs/dbraw/zinc/01/46/34/429014634.db2.gz KSVCYCXRWLMPCY-IRXDYDNUSA-N 1 3 317.477 2.655 20 0 DFADHO COC[C@]1(C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CCCN1 ZINC000423437917 429089807 /nfs/dbraw/zinc/08/98/07/429089807.db2.gz UONTVFBOUIWQKZ-RVKKMQEKSA-N 1 3 306.450 2.545 20 0 DFADHO C[C@H](CCC[NH3+])N[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000423458263 429090706 /nfs/dbraw/zinc/09/07/06/429090706.db2.gz PXCVBUYUHIXVPZ-NEPJUHHUSA-N 1 3 307.829 2.699 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cc(C)cc(N)c2)[C@@H](C)C1 ZINC000423473376 429092809 /nfs/dbraw/zinc/09/28/09/429092809.db2.gz HCDCIPPECLXVBS-QFBILLFUSA-N 1 3 319.493 2.804 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCc2cc(C)cc(N)c2)[C@@H](C)C1 ZINC000423473376 429092810 /nfs/dbraw/zinc/09/28/10/429092810.db2.gz HCDCIPPECLXVBS-QFBILLFUSA-N 1 3 319.493 2.804 20 0 DFADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000423475727 429095267 /nfs/dbraw/zinc/09/52/67/429095267.db2.gz RYUHVCDSQBZRQE-UKRRQHHQSA-N 1 3 306.454 2.948 20 0 DFADHO C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000452005806 429036982 /nfs/dbraw/zinc/03/69/82/429036982.db2.gz KMCCIQXJGXYZOH-DOTOQJQBSA-N 1 3 317.477 2.668 20 0 DFADHO C[C@H]1CCC(C)(C)[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000452005806 429036989 /nfs/dbraw/zinc/03/69/89/429036989.db2.gz KMCCIQXJGXYZOH-DOTOQJQBSA-N 1 3 317.477 2.668 20 0 DFADHO CC[C@@H]([NH3+])CN[C@@H](C)Cc1ccc(F)cc1Br ZINC000423486631 429096447 /nfs/dbraw/zinc/09/64/47/429096447.db2.gz ZUBLUQHYLWLPOI-JOYOIKCWSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000452066649 429045929 /nfs/dbraw/zinc/04/59/29/429045929.db2.gz LLFLQHVGPRMYCB-OWCLPIDISA-N 1 3 321.509 2.534 20 0 DFADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423283335 429055824 /nfs/dbraw/zinc/05/58/24/429055824.db2.gz XATNFWNPTLTRIG-WMLDXEAASA-N 1 3 316.449 2.633 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)N)c1ccc(I)cc1 ZINC000423288130 429058476 /nfs/dbraw/zinc/05/84/76/429058476.db2.gz QQPVLQKDRCTIDR-VIFPVBQESA-N 1 3 318.202 2.679 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423312524 429062762 /nfs/dbraw/zinc/06/27/62/429062762.db2.gz DGXROVQCWLCLEM-WBMJQRKESA-N 1 3 304.438 2.604 20 0 DFADHO COc1cc([C@H](C)NCC2=CC[NH2+]CC2)ccc1OC(F)F ZINC000423328781 429064467 /nfs/dbraw/zinc/06/44/67/429064467.db2.gz AUPQSYYUIGZDJE-NSHDSACASA-N 1 3 312.360 2.867 20 0 DFADHO [NH3+]C1(CN[C@@H]2CCc3cc(Br)ccc3C2)CCC1 ZINC000423324532 429064873 /nfs/dbraw/zinc/06/48/73/429064873.db2.gz KKDSASSFBDEHPK-CQSZACIVSA-N 1 3 309.251 2.777 20 0 DFADHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC2(N)CCC2)cc1 ZINC000423325144 429065744 /nfs/dbraw/zinc/06/57/44/429065744.db2.gz LADCOHVREWLKKN-GOSISDBHSA-N 1 3 311.429 2.845 20 0 DFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000423325505 429065878 /nfs/dbraw/zinc/06/58/78/429065878.db2.gz IVCUVIVIZPUKQS-MAUKXSAKSA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000423325505 429065879 /nfs/dbraw/zinc/06/58/79/429065879.db2.gz IVCUVIVIZPUKQS-MAUKXSAKSA-N 1 3 317.477 2.531 20 0 DFADHO [NH3+]CC1(CC(=O)Nc2cccc(CN3CCCCC3)c2)CC1 ZINC000423330325 429065990 /nfs/dbraw/zinc/06/59/90/429065990.db2.gz NOYHIRAKMRXDCM-UHFFFAOYSA-N 1 3 301.434 2.740 20 0 DFADHO COc1cc([C@@H](C)NCC2=CC[NH2+]CC2)ccc1OC(F)F ZINC000423328777 429066119 /nfs/dbraw/zinc/06/61/19/429066119.db2.gz AUPQSYYUIGZDJE-LLVKDONJSA-N 1 3 312.360 2.867 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc1)C1CC1 ZINC000423966565 429067150 /nfs/dbraw/zinc/06/71/50/429067150.db2.gz ZNMFQTJYTYZFAY-QGZVFWFLSA-N 1 3 317.477 2.774 20 0 DFADHO C[C@H](CNC(=O)[C@H](N)CC1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000423332771 429067388 /nfs/dbraw/zinc/06/73/88/429067388.db2.gz PKELQWFWOLQJEN-BFYDXBDKSA-N 1 3 309.498 2.663 20 0 DFADHO C[C@H](CNC(=O)[C@H](N)CC1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000423332771 429067390 /nfs/dbraw/zinc/06/73/90/429067390.db2.gz PKELQWFWOLQJEN-BFYDXBDKSA-N 1 3 309.498 2.663 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1 ZINC000423335069 429067973 /nfs/dbraw/zinc/06/79/73/429067973.db2.gz TXRUFKSOQUDGII-KKUMJFAQSA-N 1 3 303.450 2.699 20 0 DFADHO COc1cc(OC)c([C@H](C)NCC2=CC[NH2+]CC2)cc1Cl ZINC000423346378 429069529 /nfs/dbraw/zinc/06/95/29/429069529.db2.gz OUYPDYOJNKPHQJ-NSHDSACASA-N 1 3 310.825 2.928 20 0 DFADHO CC[C@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)N(CC)CC ZINC000423979234 429070649 /nfs/dbraw/zinc/07/06/49/429070649.db2.gz OVAKEFKZNQDXFA-CQSZACIVSA-N 1 3 324.494 2.669 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@H]2C)c2ccccc21 ZINC000423389321 429079060 /nfs/dbraw/zinc/07/90/60/429079060.db2.gz JICJAWDFCRBSLR-PILAGYSTSA-N 1 3 316.445 2.756 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)N[C@@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000423384026 429079946 /nfs/dbraw/zinc/07/99/46/429079946.db2.gz PXGKJQVEGNMKFN-ORIJERBGSA-N 1 3 306.450 2.926 20 0 DFADHO C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423408082 429081319 /nfs/dbraw/zinc/08/13/19/429081319.db2.gz WVJIKNMSKRKSMY-DCGLDWPTSA-N 1 3 316.449 2.619 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)cc1 ZINC000423401455 429081489 /nfs/dbraw/zinc/08/14/89/429081489.db2.gz QWPUARVYXOZWPL-ZQIUZPCESA-N 1 3 318.465 2.865 20 0 DFADHO COC[C@]1(C[NH2+][C@@H](C)CCc2ccc(F)cc2F)CCCN1 ZINC000423411069 429083429 /nfs/dbraw/zinc/08/34/29/429083429.db2.gz DXJREQGBGDPDLB-SUMWQHHRSA-N 1 3 312.404 2.644 20 0 DFADHO c1ccc2c(c1)CCN[C@@H]2CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423421136 429085261 /nfs/dbraw/zinc/08/52/61/429085261.db2.gz JVBYOTVKHHWWJE-IYWMVGAKSA-N 1 3 313.489 2.774 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)[C@H](N)c2ccccc2)CC[N@@H+]1C ZINC000423424654 429086065 /nfs/dbraw/zinc/08/60/65/429086065.db2.gz NGURVHAGXQIFHM-HYVNUMGLSA-N 1 3 317.477 2.654 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)[C@H](N)c2ccccc2)CC[N@H+]1C ZINC000423424654 429086071 /nfs/dbraw/zinc/08/60/71/429086071.db2.gz NGURVHAGXQIFHM-HYVNUMGLSA-N 1 3 317.477 2.654 20 0 DFADHO N[C@@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)c1ccccc1 ZINC000424073069 429087644 /nfs/dbraw/zinc/08/76/44/429087644.db2.gz DZQVMXYIPPPDPM-MSOLQXFVSA-N 1 3 317.477 2.881 20 0 DFADHO C/C=C/COc1ccc(CC[C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423447761 429088712 /nfs/dbraw/zinc/08/87/12/429088712.db2.gz AFLMHCCCZKMBJK-RGUODEJCSA-N 1 3 300.446 2.770 20 0 DFADHO CCOc1ccc(OCCN(CC)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435617903 429152571 /nfs/dbraw/zinc/15/25/71/429152571.db2.gz XIMOXXZVHJBQGV-MRXNPFEDSA-N 1 3 306.450 2.928 20 0 DFADHO CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H]1CNCCCO1 ZINC000423493254 429098866 /nfs/dbraw/zinc/09/88/66/429098866.db2.gz PTPIWYLFFGILPZ-WBVHZDCISA-N 1 3 308.491 2.771 20 0 DFADHO CN(C)[C@@H]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424139284 429099253 /nfs/dbraw/zinc/09/92/53/429099253.db2.gz ACUBYPMWQSUIKH-DLBZAZTESA-N 1 3 309.498 2.617 20 0 DFADHO CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H]1CNCCCO1 ZINC000423493253 429099874 /nfs/dbraw/zinc/09/98/74/429099874.db2.gz PTPIWYLFFGILPZ-RDJZCZTQSA-N 1 3 308.491 2.771 20 0 DFADHO CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)C1CCN(C)CC1 ZINC000424157910 429100238 /nfs/dbraw/zinc/10/02/38/429100238.db2.gz RZEABXMMBBOGLQ-INIZCTEOSA-N 1 3 309.498 2.617 20 0 DFADHO COc1cc2c(cc1OC)[C@@H](N1C[C@@H](C)[C@](C)(C[NH3+])C1)CC2 ZINC000423503856 429100392 /nfs/dbraw/zinc/10/03/92/429100392.db2.gz FHWYZMXEUTYKPN-HNJNHCNJSA-N 1 3 304.434 2.608 20 0 DFADHO CN1CC[NH2+]C[C@@H]1CN[C@H]1CCCc2c3ccccc3sc21 ZINC000423510605 429102817 /nfs/dbraw/zinc/10/28/17/429102817.db2.gz JWAAXBHJUCJILF-CJNGLKHVSA-N 1 3 315.486 2.772 20 0 DFADHO C[C@@H]([C@@H]1CCN(Cc2ccccc2)C1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423508256 429103080 /nfs/dbraw/zinc/10/30/80/429103080.db2.gz KNXMTTWNYULCMN-PIKOESSRSA-N 1 3 315.505 2.814 20 0 DFADHO C[C@@H]([C@@H]1CCN(Cc2ccccc2)C1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423508256 429103085 /nfs/dbraw/zinc/10/30/85/429103085.db2.gz KNXMTTWNYULCMN-PIKOESSRSA-N 1 3 315.505 2.814 20 0 DFADHO NC1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C2CC3CC(C2)CC1C3 ZINC000423520604 429106780 /nfs/dbraw/zinc/10/67/80/429106780.db2.gz FFHOZZKRRRZHKQ-FDYAQTJCSA-N 1 3 316.489 2.687 20 0 DFADHO [NH3+]C1(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)C2CC3CC(C2)CC1C3 ZINC000423520604 429106785 /nfs/dbraw/zinc/10/67/85/429106785.db2.gz FFHOZZKRRRZHKQ-FDYAQTJCSA-N 1 3 316.489 2.687 20 0 DFADHO CC1(C)[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)[C@H]2CCO[C@H]21 ZINC000423522837 429108639 /nfs/dbraw/zinc/10/86/39/429108639.db2.gz HRUUDFQHFMJDQY-RRLRJCGQSA-N 1 3 304.478 2.543 20 0 DFADHO CC1(C)[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@H]2CCO[C@H]21 ZINC000423522837 429108644 /nfs/dbraw/zinc/10/86/44/429108644.db2.gz HRUUDFQHFMJDQY-RRLRJCGQSA-N 1 3 304.478 2.543 20 0 DFADHO CN(C)C[C@H]1CCCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424197652 429109148 /nfs/dbraw/zinc/10/91/48/429109148.db2.gz WPNBTQVYCAYDHQ-DLBZAZTESA-N 1 3 309.498 2.617 20 0 DFADHO COC(=O)CC1CC([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000424277586 429118345 /nfs/dbraw/zinc/11/83/45/429118345.db2.gz HATDXZAHLKMOSY-JWMHWRSXSA-N 1 3 308.466 2.571 20 0 DFADHO N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000424277506 429118498 /nfs/dbraw/zinc/11/84/98/429118498.db2.gz ANXQYZYCFOSFCM-ZIAGYGMSSA-N 1 3 318.339 2.824 20 0 DFADHO CCOC(=O)CC(C)(C)CCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000376515938 429127659 /nfs/dbraw/zinc/12/76/59/429127659.db2.gz WDJNLQLUJTWFTH-IKGGRYGDSA-N 1 3 322.493 2.772 20 0 DFADHO CCOC(=O)CC(C)(C)CCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000376515938 429127662 /nfs/dbraw/zinc/12/76/62/429127662.db2.gz WDJNLQLUJTWFTH-IKGGRYGDSA-N 1 3 322.493 2.772 20 0 DFADHO CC[NH2+]CC1CCN(Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000435370282 429133912 /nfs/dbraw/zinc/13/39/12/429133912.db2.gz HZCKGIGVVMFYCP-UHFFFAOYSA-N 1 3 302.422 2.800 20 0 DFADHO CCN(Cc1ccc(OCCOC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435388917 429136110 /nfs/dbraw/zinc/13/61/10/429136110.db2.gz IBARIECUXYHSKO-KRWDZBQOSA-N 1 3 306.450 2.676 20 0 DFADHO COc1ccc(-c2ccncc2)cc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000435377700 429136959 /nfs/dbraw/zinc/13/69/59/429136959.db2.gz FJZGXDUCUZQVNI-QXAKKESOSA-N 1 3 323.440 2.926 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2C2CCCCC2)CN1C1CC1 ZINC000435749089 429163068 /nfs/dbraw/zinc/16/30/68/429163068.db2.gz RDDLEQULLCYBKM-GJYPPUQNSA-N 1 3 305.510 2.998 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CN1C1CC1 ZINC000435749089 429163071 /nfs/dbraw/zinc/16/30/71/429163071.db2.gz RDDLEQULLCYBKM-GJYPPUQNSA-N 1 3 305.510 2.998 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+]2C2CCCCC2)CN1C1CC1 ZINC000435749089 429163074 /nfs/dbraw/zinc/16/30/74/429163074.db2.gz RDDLEQULLCYBKM-GJYPPUQNSA-N 1 3 305.510 2.998 20 0 DFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[C@@]1(C)c1cccs1 ZINC000364055690 429164810 /nfs/dbraw/zinc/16/48/10/429164810.db2.gz JKSNESRBXFLJEX-CKEIUWERSA-N 1 3 320.506 2.624 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCNC)[C@@H]2CCCC[C@H]12 ZINC000435873148 429168517 /nfs/dbraw/zinc/16/85/17/429168517.db2.gz BKETXGNSQBKDHM-QXDIGNSFSA-N 1 3 323.525 2.780 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCNC)[C@@H]2CCCC[C@H]12 ZINC000435873148 429168522 /nfs/dbraw/zinc/16/85/22/429168522.db2.gz BKETXGNSQBKDHM-QXDIGNSFSA-N 1 3 323.525 2.780 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCNC)[C@H]2CCCC[C@H]12 ZINC000435873145 429169666 /nfs/dbraw/zinc/16/96/66/429169666.db2.gz BKETXGNSQBKDHM-AVEIZBFRSA-N 1 3 323.525 2.780 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCNC)[C@H]2CCCC[C@H]12 ZINC000435873145 429169672 /nfs/dbraw/zinc/16/96/72/429169672.db2.gz BKETXGNSQBKDHM-AVEIZBFRSA-N 1 3 323.525 2.780 20 0 DFADHO C[C@H]1C[C@@H](C[NH3+])CN1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000442767328 429234210 /nfs/dbraw/zinc/23/42/10/429234210.db2.gz YJTNDEOVZWVLPP-RYUDHWBXSA-N 1 3 320.824 2.602 20 0 DFADHO COCC[N@H+](C)CCCNc1c(C)cnc2c(C)cccc21 ZINC000443446981 429252221 /nfs/dbraw/zinc/25/22/21/429252221.db2.gz NTXPSIXVZKFTGR-UHFFFAOYSA-N 1 3 301.434 2.654 20 0 DFADHO COCC[N@@H+](C)CCCNc1c(C)cnc2c(C)cccc21 ZINC000443446981 429252226 /nfs/dbraw/zinc/25/22/26/429252226.db2.gz NTXPSIXVZKFTGR-UHFFFAOYSA-N 1 3 301.434 2.654 20 0 DFADHO CC(C)C[C@H](CN1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000489991511 429273157 /nfs/dbraw/zinc/27/31/57/429273157.db2.gz UGVJYMNIBSVVBU-WOJBJXKFSA-N 1 3 315.505 2.796 20 0 DFADHO CC(C)(C)OC(=O)NC1CC(N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000495842513 429278447 /nfs/dbraw/zinc/27/84/47/429278447.db2.gz WKVMLVSELMIWHZ-WLYUNCDWSA-N 1 3 323.481 2.649 20 0 DFADHO CC(C)(C)OC(=O)NC1CC(N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000495842513 429278451 /nfs/dbraw/zinc/27/84/51/429278451.db2.gz WKVMLVSELMIWHZ-WLYUNCDWSA-N 1 3 323.481 2.649 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCn2cccn2)CC1 ZINC000449084080 429327109 /nfs/dbraw/zinc/32/71/09/429327109.db2.gz FMWWVTCBFBMPJR-KRWDZBQOSA-N 1 3 312.461 2.568 20 0 DFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCCN2C)CC1 ZINC000449102006 429333680 /nfs/dbraw/zinc/33/36/80/429333680.db2.gz HWNZLKQOVBLRMM-YLJYHZDGSA-N 1 3 315.505 2.766 20 0 DFADHO CC1CCN(C[C@H](O)C[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000490883087 429310377 /nfs/dbraw/zinc/31/03/77/429310377.db2.gz HFLPQOHJQRSRBP-HXUWFJFHSA-N 1 3 316.489 2.748 20 0 DFADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000457084826 429397020 /nfs/dbraw/zinc/39/70/20/429397020.db2.gz GWFOMZCMFNLKFK-MSOLQXFVSA-N 1 3 321.509 2.725 20 0 DFADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000457084826 429397022 /nfs/dbraw/zinc/39/70/22/429397022.db2.gz GWFOMZCMFNLKFK-MSOLQXFVSA-N 1 3 321.509 2.725 20 0 DFADHO O[C@H]1CCCC[C@@H]1CCCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425897985 429350221 /nfs/dbraw/zinc/35/02/21/429350221.db2.gz XBJQBZRMQJVBNH-QAPCUYQASA-N 1 3 321.465 2.563 20 0 DFADHO O[C@H]1CCCC[C@H]1CCCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425897986 429351831 /nfs/dbraw/zinc/35/18/31/429351831.db2.gz XBJQBZRMQJVBNH-YJBOKZPZSA-N 1 3 321.465 2.563 20 0 DFADHO CCn1nnc(C)c1CNC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000449202173 429356933 /nfs/dbraw/zinc/35/69/33/429356933.db2.gz JLQHSHYEPJTASM-UHFFFAOYSA-N 1 3 319.497 2.739 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCO[C@H]2C)CC1 ZINC000449214895 429359232 /nfs/dbraw/zinc/35/92/32/429359232.db2.gz MPQPMENCLDXKDK-BXWFABGCSA-N 1 3 302.462 2.849 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)[C@H]2CCC[C@H]21 ZINC000426296010 429380624 /nfs/dbraw/zinc/38/06/24/429380624.db2.gz PBXAPZNLIQUUDP-XYVMCAHJSA-N 1 3 317.452 2.867 20 0 DFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)[C@H]2CCC[C@H]21 ZINC000426296010 429380628 /nfs/dbraw/zinc/38/06/28/429380628.db2.gz PBXAPZNLIQUUDP-XYVMCAHJSA-N 1 3 317.452 2.867 20 0 DFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426404167 429388201 /nfs/dbraw/zinc/38/82/01/429388201.db2.gz HMEWRFUHZMULLN-CALCHBBNSA-N 1 3 323.525 2.878 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@H]1CCCC12CCC2 ZINC000449330595 429390246 /nfs/dbraw/zinc/39/02/46/429390246.db2.gz UZRNCBCBIBQJHB-KRWDZBQOSA-N 1 3 303.450 2.834 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)Cc1cccc2ccoc21 ZINC000449328629 429390455 /nfs/dbraw/zinc/39/04/55/429390455.db2.gz KCMRIFVAPRNPTI-UHFFFAOYSA-N 1 3 303.450 2.748 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)Cc1cccc2ccoc21 ZINC000449328629 429390457 /nfs/dbraw/zinc/39/04/57/429390457.db2.gz KCMRIFVAPRNPTI-UHFFFAOYSA-N 1 3 303.450 2.748 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCN2CC=CCC2)CC1 ZINC000366251035 429440945 /nfs/dbraw/zinc/44/09/45/429440945.db2.gz UTTVZMJQRZLCJB-MJGOQNOKSA-N 1 3 305.510 2.881 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366259232 429442922 /nfs/dbraw/zinc/44/29/22/429442922.db2.gz NCZXLYZLPXPVDN-COXVUDFISA-N 1 3 319.424 2.759 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000366259232 429442923 /nfs/dbraw/zinc/44/29/23/429442923.db2.gz NCZXLYZLPXPVDN-COXVUDFISA-N 1 3 319.424 2.759 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(Br)cc1)[C@@H]1CCCNC1 ZINC000519138332 429448221 /nfs/dbraw/zinc/44/82/21/429448221.db2.gz WJOMMJIMABZRFL-TZMCWYRMSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H](NCCc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000519138332 429448223 /nfs/dbraw/zinc/44/82/23/429448223.db2.gz WJOMMJIMABZRFL-TZMCWYRMSA-N 1 3 311.267 2.969 20 0 DFADHO c1cn2c(n1)C[C@H](C[NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC000366744780 429505704 /nfs/dbraw/zinc/50/57/04/429505704.db2.gz KDGBMTLUSMMPEZ-MRXNPFEDSA-N 1 3 316.493 2.832 20 0 DFADHO CC[N@H+](CCNC(=O)[C@H]1CCCCN1C1CCCC1)C(C)C ZINC000449838877 429522750 /nfs/dbraw/zinc/52/27/50/429522750.db2.gz JIYAAHBAKVVPDE-QGZVFWFLSA-N 1 3 309.498 2.630 20 0 DFADHO CC[N@@H+](CCNC(=O)[C@H]1CCCCN1C1CCCC1)C(C)C ZINC000449838877 429522753 /nfs/dbraw/zinc/52/27/53/429522753.db2.gz JIYAAHBAKVVPDE-QGZVFWFLSA-N 1 3 309.498 2.630 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000521369572 429548490 /nfs/dbraw/zinc/54/84/90/429548490.db2.gz AJUQYQZGHUOLID-CABCVRRESA-N 1 3 302.397 2.679 20 0 DFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000521611652 429558446 /nfs/dbraw/zinc/55/84/46/429558446.db2.gz ROUIGEVXFVNEEK-SJORKVTESA-N 1 3 316.449 2.544 20 0 DFADHO c1c(CN[C@H]2CCc3ccccc3C2)onc1C1CC[NH2+]CC1 ZINC000521994221 429573964 /nfs/dbraw/zinc/57/39/64/429573964.db2.gz WPGBJSNZSCHUJV-KRWDZBQOSA-N 1 3 311.429 2.789 20 0 DFADHO COC(=O)[C@H](CC(C)C)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367132707 429583977 /nfs/dbraw/zinc/58/39/77/429583977.db2.gz FPSFXJBKCDBAEZ-RDJZCZTQSA-N 1 3 322.493 2.770 20 0 DFADHO COC(=O)[C@H](CC(C)C)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367132707 429583982 /nfs/dbraw/zinc/58/39/82/429583982.db2.gz FPSFXJBKCDBAEZ-RDJZCZTQSA-N 1 3 322.493 2.770 20 0 DFADHO O=C([C@H]1CCC[N@H+](CCCN2CCCC2)C1)N1CCCCCC1 ZINC000366896639 429535381 /nfs/dbraw/zinc/53/53/81/429535381.db2.gz QCGUNAZQTXXXAV-SFHVURJKSA-N 1 3 321.509 2.587 20 0 DFADHO O=C([C@H]1CCC[N@@H+](CCCN2CCCC2)C1)N1CCCCCC1 ZINC000366896639 429535384 /nfs/dbraw/zinc/53/53/84/429535384.db2.gz QCGUNAZQTXXXAV-SFHVURJKSA-N 1 3 321.509 2.587 20 0 DFADHO C[NH+]1CCC2(CCCN(Cc3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000366949481 429545536 /nfs/dbraw/zinc/54/55/36/429545536.db2.gz BMRXXTXYMRIJOL-UHFFFAOYSA-N 1 3 314.433 2.978 20 0 DFADHO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000429759785 429630588 /nfs/dbraw/zinc/63/05/88/429630588.db2.gz AOFVQZUIAJVSBN-KBAYOESNSA-N 1 3 317.477 2.574 20 0 DFADHO CCC[C@H](C(=O)NC1CC[NH+](Cc2cccs2)CC1)N(C)C ZINC000367444544 429649421 /nfs/dbraw/zinc/64/94/21/429649421.db2.gz GIIYFDCTFFFSDH-MRXNPFEDSA-N 1 3 323.506 2.559 20 0 DFADHO CCc1ccc2nccc(N3CC[N@H+](C[C@H](C)O)[C@H](C)C3)c2c1 ZINC000450314176 429597381 /nfs/dbraw/zinc/59/73/81/429597381.db2.gz TYBADJJRNUJTIP-CABCVRRESA-N 1 3 313.445 2.689 20 0 DFADHO CCc1ccc2nccc(N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)c2c1 ZINC000450314176 429597387 /nfs/dbraw/zinc/59/73/87/429597387.db2.gz TYBADJJRNUJTIP-CABCVRRESA-N 1 3 313.445 2.689 20 0 DFADHO CCC[NH+]1CCC(NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000429422553 429607903 /nfs/dbraw/zinc/60/79/03/429607903.db2.gz ZSNWMWMYHBJVQQ-MOPGFXCFSA-N 1 3 320.452 2.756 20 0 DFADHO CC(C)[C@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)N1CCCCC1 ZINC000429499876 429612120 /nfs/dbraw/zinc/61/21/20/429612120.db2.gz BHANOMQHRKEQPJ-MAUKXSAKSA-N 1 3 317.477 2.833 20 0 DFADHO Cc1cccc2c1ncc(C)c2NC[C@H]1CCC[N@@H+]1CCCO ZINC000450599981 429658213 /nfs/dbraw/zinc/65/82/13/429658213.db2.gz UQCPBQOKKNWUDC-MRXNPFEDSA-N 1 3 313.445 2.532 20 0 DFADHO Cc1cccc2c1ncc(C)c2NC[C@H]1CCC[N@H+]1CCCO ZINC000450599981 429658216 /nfs/dbraw/zinc/65/82/16/429658216.db2.gz UQCPBQOKKNWUDC-MRXNPFEDSA-N 1 3 313.445 2.532 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@@H]1CCCCC1(F)F ZINC000450598603 429659290 /nfs/dbraw/zinc/65/92/90/429659290.db2.gz JQAACYVRXLWARL-JJXSEGSLSA-N 1 3 316.436 2.995 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@H]2CCC[C@@H]21 ZINC000367517653 429664128 /nfs/dbraw/zinc/66/41/28/429664128.db2.gz CVPGILXNHSZOEU-SQNIBIBYSA-N 1 3 315.461 2.833 20 0 DFADHO CC1=C[C@@H](C)C[C@H](C[NH+]2CCC(CN3CCN(C)CC3)CC2)C1 ZINC000368219249 276183975 /nfs/dbraw/zinc/18/39/75/276183975.db2.gz AUVWXULWVMCVRC-XLIONFOSSA-N 1 3 319.537 2.938 20 0 DFADHO CC1CC[NH+](CCCCNCc2cn(C)nc2C(F)F)CC1 ZINC000360953558 276196530 /nfs/dbraw/zinc/19/65/30/276196530.db2.gz HPWFPWAIULLCAU-UHFFFAOYSA-N 1 3 314.424 2.959 20 0 DFADHO COc1ccc(COCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1 ZINC000367612605 429684808 /nfs/dbraw/zinc/68/48/08/429684808.db2.gz DMBSDRVIGPZMKT-IPMKNSEASA-N 1 3 318.461 2.674 20 0 DFADHO COc1ccc(COCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367612605 429684812 /nfs/dbraw/zinc/68/48/12/429684812.db2.gz DMBSDRVIGPZMKT-IPMKNSEASA-N 1 3 318.461 2.674 20 0 DFADHO COc1ccc(COCCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367612605 429684816 /nfs/dbraw/zinc/68/48/16/429684816.db2.gz DMBSDRVIGPZMKT-IPMKNSEASA-N 1 3 318.461 2.674 20 0 DFADHO CC[NH+](CC)C[C@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000271254543 276334407 /nfs/dbraw/zinc/33/44/07/276334407.db2.gz GGNGRCUBQFQSNX-WOJBJXKFSA-N 1 3 315.505 2.925 20 0 DFADHO C[C@](C[NH3+])(NCCC(=O)Nc1cccc2ccccc21)C1CC1 ZINC000430569717 429695019 /nfs/dbraw/zinc/69/50/19/429695019.db2.gz AXLNNMGEGLNQKO-LJQANCHMSA-N 1 3 311.429 2.885 20 0 DFADHO Cc1cccc2ncc(CN3CC[C@@H](C4CC[NH+](C)CC4)C3)n21 ZINC000367685822 429699965 /nfs/dbraw/zinc/69/99/65/429699965.db2.gz LBYDTMIXKZNBQB-QGZVFWFLSA-N 1 3 312.461 2.806 20 0 DFADHO [NH3+]CC1CCN(CCOc2ccccc2C(F)(F)F)CC1 ZINC000430637202 429705493 /nfs/dbraw/zinc/70/54/93/429705493.db2.gz KTSPPFSQLITWIC-UHFFFAOYSA-N 1 3 302.340 2.755 20 0 DFADHO CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000430771429 429715894 /nfs/dbraw/zinc/71/58/94/429715894.db2.gz DDQQQMYZMYTPJB-BRWVUGGUSA-N 1 3 309.498 2.665 20 0 DFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000430917427 429723276 /nfs/dbraw/zinc/72/32/76/429723276.db2.gz DDZUBNSSLLRQEM-JYJNAYRXSA-N 1 3 317.477 2.620 20 0 DFADHO [NH3+]C[C@H]1CCN(CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430930658 429724596 /nfs/dbraw/zinc/72/45/96/429724596.db2.gz XYIYEAZBVRXNHN-MRXNPFEDSA-N 1 3 323.440 2.963 20 0 DFADHO CC(C)C[N@@H+]1CC[C@H](CNc2ccncc2-c2cccnc2)C1 ZINC000367844457 429727877 /nfs/dbraw/zinc/72/78/77/429727877.db2.gz XBGDFJISKDONSR-MRXNPFEDSA-N 1 3 310.445 2.955 20 0 DFADHO CC(C)C[N@H+]1CC[C@H](CNc2ccncc2-c2cccnc2)C1 ZINC000367844457 429727882 /nfs/dbraw/zinc/72/78/82/429727882.db2.gz XBGDFJISKDONSR-MRXNPFEDSA-N 1 3 310.445 2.955 20 0 DFADHO CCN1CCN(CCC[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000527233026 429734505 /nfs/dbraw/zinc/73/45/05/429734505.db2.gz AYHSFHLCLGCEMO-UHFFFAOYSA-N 1 3 311.420 2.741 20 0 DFADHO FC1(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000527229736 429734725 /nfs/dbraw/zinc/73/47/25/429734725.db2.gz MMSYRFIACRUJPB-UHFFFAOYSA-N 1 3 305.441 2.681 20 0 DFADHO CN(CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000431047080 429736910 /nfs/dbraw/zinc/73/69/10/429736910.db2.gz WRTMSRHKVFQABW-QZTJIDSGSA-N 1 3 317.477 2.532 20 0 DFADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CCN(C)Cc1ccccc1 ZINC000450980925 429744056 /nfs/dbraw/zinc/74/40/56/429744056.db2.gz HCRCSOWOXNMIBM-HKUYNNGSSA-N 1 3 301.478 2.677 20 0 DFADHO COCCOc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000368135805 429796097 /nfs/dbraw/zinc/79/60/97/429796097.db2.gz RPTFQEDEMWZKTH-IEBWSBKVSA-N 1 3 318.461 2.628 20 0 DFADHO COCCOc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000368135805 429796099 /nfs/dbraw/zinc/79/60/99/429796099.db2.gz RPTFQEDEMWZKTH-IEBWSBKVSA-N 1 3 318.461 2.628 20 0 DFADHO Cc1noc(C2CCC([NH2+][C@H]3CCC[C@H](N(C)C)C3)CC2)n1 ZINC000368032018 429771644 /nfs/dbraw/zinc/77/16/44/429771644.db2.gz WGZZFONZVSZIBF-CKUJCDMFSA-N 1 3 306.454 2.867 20 0 DFADHO CCC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000431615623 429773338 /nfs/dbraw/zinc/77/33/38/429773338.db2.gz YFXUAOJJQVOUGZ-SFHVURJKSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@H]([NH2+]C1CCN(C2CCN(C)CC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527650588 429773563 /nfs/dbraw/zinc/77/35/63/429773563.db2.gz QMYMOAOYHSLGDF-JVPBZIDWSA-N 1 3 305.510 2.569 20 0 DFADHO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCCN1C1CCCC1 ZINC000431629664 429773858 /nfs/dbraw/zinc/77/38/58/429773858.db2.gz XTHLCAYAXOFNOW-GOSISDBHSA-N 1 3 321.509 2.776 20 0 DFADHO C[C@H](CNC(=O)[C@H]1CCCCN1C1CCCC1)C[NH+]1CCCC1 ZINC000431724965 429779454 /nfs/dbraw/zinc/77/94/54/429779454.db2.gz XWCMKKKYDIZSOR-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO Cc1c[nH]nc1CNCC1CC[NH+](CCc2ccccc2)CC1 ZINC000368093435 429785789 /nfs/dbraw/zinc/78/57/89/429785789.db2.gz QYRWLNJSEAOIQL-UHFFFAOYSA-N 1 3 312.461 2.762 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CC12CC2 ZINC000527907421 429818016 /nfs/dbraw/zinc/81/80/16/429818016.db2.gz HYIXBQOPTOCLHO-FUHWJXTLSA-N 1 3 314.473 2.792 20 0 DFADHO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)[C@@H]1CC12CC2 ZINC000527901676 429818247 /nfs/dbraw/zinc/81/82/47/429818247.db2.gz RVEVMNPOJJZPNQ-ZBFHGGJFSA-N 1 3 303.450 2.690 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@]1(C)COc2ccccc2O1 ZINC000527930045 429823748 /nfs/dbraw/zinc/82/37/48/429823748.db2.gz HDKZRAHYTNKBRZ-ADAWSYLGSA-N 1 3 304.434 2.535 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@]1(C)COc2ccccc2O1 ZINC000527930045 429823750 /nfs/dbraw/zinc/82/37/50/429823750.db2.gz HDKZRAHYTNKBRZ-ADAWSYLGSA-N 1 3 304.434 2.535 20 0 DFADHO COc1ccc2c(c1)OCCC[C@@H]2NCC1=CC[N@H+](C)CC1 ZINC000368414178 429846872 /nfs/dbraw/zinc/84/68/72/429846872.db2.gz ZBZKVPMPPBAKAO-KRWDZBQOSA-N 1 3 302.418 2.760 20 0 DFADHO COc1ccc2c(c1)OCCC[C@@H]2NCC1=CC[N@@H+](C)CC1 ZINC000368414178 429846875 /nfs/dbraw/zinc/84/68/75/429846875.db2.gz ZBZKVPMPPBAKAO-KRWDZBQOSA-N 1 3 302.418 2.760 20 0 DFADHO c1ccc(COC2CC(N[C@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000493888960 429846939 /nfs/dbraw/zinc/84/69/39/429846939.db2.gz QTOREDBQUQSQIC-WZOJCFFYSA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(COC2CC(N[C@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000493888960 429846942 /nfs/dbraw/zinc/84/69/42/429846942.db2.gz QTOREDBQUQSQIC-WZOJCFFYSA-N 1 3 300.446 2.951 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CC12CC2 ZINC000527859228 429809759 /nfs/dbraw/zinc/80/97/59/429809759.db2.gz OAUIBCOAPCAQPQ-DNVCBOLYSA-N 1 3 314.473 2.922 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)[C@H]1CC12CC2 ZINC000527886530 429814403 /nfs/dbraw/zinc/81/44/03/429814403.db2.gz KYJLESPCABVMNC-BMGDILEWSA-N 1 3 300.446 2.531 20 0 DFADHO C[NH+](C)CCC1CCN([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528350779 429878125 /nfs/dbraw/zinc/87/81/25/429878125.db2.gz FLFINFRCSKUSRD-GOSISDBHSA-N 1 3 321.509 2.584 20 0 DFADHO CC[NH+]1CCC(N(C)C[C@H](Cc2ccc(F)cc2)OC)CC1 ZINC000528392690 429883941 /nfs/dbraw/zinc/88/39/41/429883941.db2.gz CZMMCJZRGZSIBS-SFHVURJKSA-N 1 3 308.441 2.799 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000528392791 429884681 /nfs/dbraw/zinc/88/46/81/429884681.db2.gz DJMWLSRYWXVQJS-JCGIZDLHSA-N 1 3 308.441 2.798 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000528392791 429884682 /nfs/dbraw/zinc/88/46/82/429884682.db2.gz DJMWLSRYWXVQJS-JCGIZDLHSA-N 1 3 308.441 2.798 20 0 DFADHO C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000369278305 429922104 /nfs/dbraw/zinc/92/21/04/429922104.db2.gz QFWZBEZDQSFKPM-RKVPGOIHSA-N 1 3 317.477 2.661 20 0 DFADHO CCc1noc(-c2ccc(CCN[C@@H]3CCC[C@@H]([NH3+])C3)cc2)n1 ZINC000573505696 429959176 /nfs/dbraw/zinc/95/91/76/429959176.db2.gz LEIXWBREKSFMHN-HZPDHXFCSA-N 1 3 314.433 2.701 20 0 DFADHO CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H](N)C3)cc2)n1 ZINC000573505696 429959178 /nfs/dbraw/zinc/95/91/78/429959178.db2.gz LEIXWBREKSFMHN-HZPDHXFCSA-N 1 3 314.433 2.701 20 0 DFADHO CN(C)Cc1ccc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000558349930 429968007 /nfs/dbraw/zinc/96/80/07/429968007.db2.gz JZVBWUBFVAGTJN-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO CN(C)Cc1ccc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000558349930 429968009 /nfs/dbraw/zinc/96/80/09/429968009.db2.gz JZVBWUBFVAGTJN-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO CCC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000573666480 429970541 /nfs/dbraw/zinc/97/05/41/429970541.db2.gz JISUMAYOUKHWDA-UHFFFAOYSA-N 1 3 316.449 2.533 20 0 DFADHO CN(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000573674922 429971644 /nfs/dbraw/zinc/97/16/44/429971644.db2.gz NPJAFGRNVODBTF-FCLJQHQZSA-N 1 3 307.869 2.815 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC=C(C)C)CC2)CC1 ZINC000573739999 429978669 /nfs/dbraw/zinc/97/86/69/429978669.db2.gz WLGJBBSPKQBTLS-UHFFFAOYSA-N 1 3 321.509 2.655 20 0 DFADHO CCCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CC1 ZINC000557425612 429938976 /nfs/dbraw/zinc/93/89/76/429938976.db2.gz MWEBYYLVQREAQM-UHFFFAOYSA-N 1 3 321.509 2.584 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000150966058 276761634 /nfs/dbraw/zinc/76/16/34/276761634.db2.gz CPUAFFAMJXSPMW-QGZVFWFLSA-N 1 3 319.493 2.909 20 0 DFADHO C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CSCCS1 ZINC000253036312 276814812 /nfs/dbraw/zinc/81/48/12/276814812.db2.gz XEBIQWKTSITSEJ-LXTVHRRPSA-N 1 3 300.537 2.735 20 0 DFADHO COc1cc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000559917486 430016707 /nfs/dbraw/zinc/01/67/07/430016707.db2.gz PUKYXZBMLWDNFG-JYJNAYRXSA-N 1 3 321.465 2.630 20 0 DFADHO COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)C2 ZINC000561976898 430103376 /nfs/dbraw/zinc/10/33/76/430103376.db2.gz VVDHWBYHCRHFFB-RDJZCZTQSA-N 1 3 302.462 2.872 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000530226140 430105536 /nfs/dbraw/zinc/10/55/36/430105536.db2.gz PXORYXYERMCMPF-AHEZYBDSSA-N 1 3 308.441 2.688 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000530226140 430105540 /nfs/dbraw/zinc/10/55/40/430105540.db2.gz PXORYXYERMCMPF-AHEZYBDSSA-N 1 3 308.441 2.688 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000530226140 430105544 /nfs/dbraw/zinc/10/55/44/430105544.db2.gz PXORYXYERMCMPF-AHEZYBDSSA-N 1 3 308.441 2.688 20 0 DFADHO CC(C)[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000530245155 430107558 /nfs/dbraw/zinc/10/75/58/430107558.db2.gz UZLNOKQLQNXLPK-PMACEKPBSA-N 1 3 315.505 2.828 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)c1 ZINC000634764808 430107698 /nfs/dbraw/zinc/10/76/98/430107698.db2.gz CBMSSKNBALGKMP-LPHOPBHVSA-N 1 3 315.461 2.857 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@@H](C)C[NH3+] ZINC000560942853 430071895 /nfs/dbraw/zinc/07/18/95/430071895.db2.gz VWZOBEJHUCKCBI-WDEREUQCSA-N 1 3 317.355 2.607 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](C)CN ZINC000560942853 430071899 /nfs/dbraw/zinc/07/18/99/430071899.db2.gz VWZOBEJHUCKCBI-WDEREUQCSA-N 1 3 317.355 2.607 20 0 DFADHO [NH3+]CC1(CC(=O)Nc2cccc3c2CCNC3)CCCCC1 ZINC000561181799 430079417 /nfs/dbraw/zinc/07/94/17/430079417.db2.gz VKZUPBDIMKCNLY-UHFFFAOYSA-N 1 3 301.434 2.570 20 0 DFADHO c1cnc2cccc(CN3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000637876315 430158086 /nfs/dbraw/zinc/15/80/86/430158086.db2.gz KFECVOVWXWDRLK-UHFFFAOYSA-N 1 3 304.397 2.952 20 0 DFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000562657788 430160630 /nfs/dbraw/zinc/16/06/30/430160630.db2.gz GZDCSTXFOKTTQP-WMZOPIPTSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000562657788 430160634 /nfs/dbraw/zinc/16/06/34/430160634.db2.gz GZDCSTXFOKTTQP-WMZOPIPTSA-N 1 3 321.509 2.630 20 0 DFADHO c1cc(CN2CCCCC2)cc(-c2noc([C@H]3CC34C[NH2+]C4)n2)c1 ZINC000562741989 430176728 /nfs/dbraw/zinc/17/67/28/430176728.db2.gz YRGCUURPQJUIFQ-MRXNPFEDSA-N 1 3 324.428 2.799 20 0 DFADHO CC[C@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000269269871 287926414 /nfs/dbraw/zinc/92/64/14/287926414.db2.gz RUCALALMYOYLAG-HOCLYGCPSA-N 1 3 303.450 2.504 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000580638985 430141145 /nfs/dbraw/zinc/14/11/45/430141145.db2.gz AIOOGUYNPNFODR-CRAIPNDOSA-N 1 3 303.450 2.691 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(C)CCCNC2)c1 ZINC000580638985 430141147 /nfs/dbraw/zinc/14/11/47/430141147.db2.gz AIOOGUYNPNFODR-CRAIPNDOSA-N 1 3 303.450 2.691 20 0 DFADHO CN1CCC2(CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)CC1 ZINC000375513050 277038479 /nfs/dbraw/zinc/03/84/79/277038479.db2.gz UAHMMIWMMONWJC-UHFFFAOYSA-N 1 3 302.418 2.518 20 0 DFADHO CN1CCC2(CCC[N@H+]2Cc2ccc3c(c2)OCCO3)CC1 ZINC000375513050 277038480 /nfs/dbraw/zinc/03/84/80/277038480.db2.gz UAHMMIWMMONWJC-UHFFFAOYSA-N 1 3 302.418 2.518 20 0 DFADHO Clc1ccccc1N1CC[C@@H](C[NH2+]CC23CC(C2)CN3)C1 ZINC000634996177 430187639 /nfs/dbraw/zinc/18/76/39/430187639.db2.gz BTCICAGTGNJPOW-CBCUQQMYSA-N 1 3 305.853 2.508 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](N)Cc2ccccc2)C12CCC2 ZINC000635007988 430194323 /nfs/dbraw/zinc/19/43/23/430194323.db2.gz QMOBBEKQZBUZPN-KZNAEPCWSA-N 1 3 302.462 2.884 20 0 DFADHO CCO[C@@H]1C[C@@H](NCC[C@@H]([NH3+])Cc2ccccc2)C12CCC2 ZINC000635007988 430194329 /nfs/dbraw/zinc/19/43/29/430194329.db2.gz QMOBBEKQZBUZPN-KZNAEPCWSA-N 1 3 302.462 2.884 20 0 DFADHO Nc1ccc(-c2cccc(CN[C@H]3CC34CC[NH2+]CC4)n2)cc1 ZINC000634995970 430188071 /nfs/dbraw/zinc/18/80/71/430188071.db2.gz VENYAIZIEOZIBJ-SFHVURJKSA-N 1 3 308.429 2.563 20 0 DFADHO CNC(=O)c1ccc(CN(C)CCCC[NH+]2CCCCC2)cc1 ZINC000640532089 430191478 /nfs/dbraw/zinc/19/14/78/430191478.db2.gz VYANIDAXJAOPQT-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000635001345 430192183 /nfs/dbraw/zinc/19/21/83/430192183.db2.gz PUUVGCDRCLMDFW-XGVBPZLHSA-N 1 3 321.262 2.676 20 0 DFADHO Cc1ccc2c(c1)[C@H](Nc1cc(N3CCNCC3)cc[nH+]1)CC2 ZINC000635007723 430193985 /nfs/dbraw/zinc/19/39/85/430193985.db2.gz GNQJSJBLEFOWTC-GOSISDBHSA-N 1 3 308.429 2.899 20 0 DFADHO Cc1cccc2c1CC[C@@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635006680 430194026 /nfs/dbraw/zinc/19/40/26/430194026.db2.gz CHYJBVFWNZYSAA-SFHVURJKSA-N 1 3 308.429 2.899 20 0 DFADHO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000635012451 430195310 /nfs/dbraw/zinc/19/53/10/430195310.db2.gz UCCMLKHPQDQEJF-ZBFHGGJFSA-N 1 3 313.449 2.696 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012511 430195374 /nfs/dbraw/zinc/19/53/74/430195374.db2.gz UKCVKTBAFSVHMW-ZBFHGGJFSA-N 1 3 303.450 2.772 20 0 DFADHO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000635012444 430195382 /nfs/dbraw/zinc/19/53/82/430195382.db2.gz UCCMLKHPQDQEJF-GDBMZVCRSA-N 1 3 313.449 2.696 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2cccc3c2CCNC3)C1 ZINC000635011993 430195617 /nfs/dbraw/zinc/19/56/17/430195617.db2.gz RZOUZGDAYMHZOG-QAPCUYQASA-N 1 3 324.472 2.882 20 0 DFADHO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2cccc3c2CCNC3)C1 ZINC000635011992 430196674 /nfs/dbraw/zinc/19/66/74/430196674.db2.gz RZOUZGDAYMHZOG-MAUKXSAKSA-N 1 3 324.472 2.882 20 0 DFADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000635012446 430196726 /nfs/dbraw/zinc/19/67/26/430196726.db2.gz UCCMLKHPQDQEJF-GOEBONIOSA-N 1 3 313.449 2.696 20 0 DFADHO C[C@@H](NCCc1c2ccccc2[nH]c1C(F)(F)F)C1C[NH2+]C1 ZINC000635024312 430200054 /nfs/dbraw/zinc/20/00/54/430200054.db2.gz WHSLDHBCDXAPRV-SNVBAGLBSA-N 1 3 311.351 2.927 20 0 DFADHO C[C@@H]([NH2+]CCc1c2ccccc2[nH]c1C(F)(F)F)C1CNC1 ZINC000635024312 430200055 /nfs/dbraw/zinc/20/00/55/430200055.db2.gz WHSLDHBCDXAPRV-SNVBAGLBSA-N 1 3 311.351 2.927 20 0 DFADHO CCN[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000638064377 430223809 /nfs/dbraw/zinc/22/38/09/430223809.db2.gz SUKINPZQDORATK-GJZGRUSLSA-N 1 3 303.450 2.855 20 0 DFADHO CCN[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000638064377 430223812 /nfs/dbraw/zinc/22/38/12/430223812.db2.gz SUKINPZQDORATK-GJZGRUSLSA-N 1 3 303.450 2.855 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638133947 430248946 /nfs/dbraw/zinc/24/89/46/430248946.db2.gz LTDZBZNCGSHYJO-QZTJIDSGSA-N 1 3 301.478 2.787 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638133947 430248950 /nfs/dbraw/zinc/24/89/50/430248950.db2.gz LTDZBZNCGSHYJO-QZTJIDSGSA-N 1 3 301.478 2.787 20 0 DFADHO CC[N@H+](C)C[C@H]1CCN(C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638133947 430248953 /nfs/dbraw/zinc/24/89/53/430248953.db2.gz LTDZBZNCGSHYJO-QZTJIDSGSA-N 1 3 301.478 2.787 20 0 DFADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638133947 430248956 /nfs/dbraw/zinc/24/89/56/430248956.db2.gz LTDZBZNCGSHYJO-QZTJIDSGSA-N 1 3 301.478 2.787 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635323715 430255455 /nfs/dbraw/zinc/25/54/55/430255455.db2.gz AVQBCCSJEIJFOC-AEFFLSMTSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635323715 430255461 /nfs/dbraw/zinc/25/54/61/430255461.db2.gz AVQBCCSJEIJFOC-AEFFLSMTSA-N 1 3 321.509 2.774 20 0 DFADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](N)CCC(C)C)c1 ZINC000638078841 430228110 /nfs/dbraw/zinc/22/81/10/430228110.db2.gz HAWMBHIXABSGRP-KRWDZBQOSA-N 1 3 305.466 2.518 20 0 DFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](N)CCC(C)C)c1 ZINC000638078841 430228112 /nfs/dbraw/zinc/22/81/12/430228112.db2.gz HAWMBHIXABSGRP-KRWDZBQOSA-N 1 3 305.466 2.518 20 0 DFADHO COc1cc(F)c(CNCCCC[N@H+](C)C2CC2)cc1OC ZINC000581671001 430230848 /nfs/dbraw/zinc/23/08/48/430230848.db2.gz CEAQCVCUNDYVCH-UHFFFAOYSA-N 1 3 310.413 2.807 20 0 DFADHO COc1cc(F)c(CNCCCC[N@@H+](C)C2CC2)cc1OC ZINC000581671001 430230852 /nfs/dbraw/zinc/23/08/52/430230852.db2.gz CEAQCVCUNDYVCH-UHFFFAOYSA-N 1 3 310.413 2.807 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CC1(F)F ZINC000638272789 430290321 /nfs/dbraw/zinc/29/03/21/430290321.db2.gz CHKYJUVOAYIMCL-DYVFJYSZSA-N 1 3 324.415 2.777 20 0 DFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](N)CCC(C)C ZINC000638273971 430292282 /nfs/dbraw/zinc/29/22/82/430292282.db2.gz DZPCZBFVYZWUHT-GOSISDBHSA-N 1 3 319.493 2.860 20 0 DFADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CS1 ZINC000638274435 430292806 /nfs/dbraw/zinc/29/28/06/430292806.db2.gz OLECZUIDNIZLPG-YOEHRIQHSA-N 1 3 320.502 2.627 20 0 DFADHO COc1cc(C[C@@H](C)NC2CC[NH+](CC(C)C)CC2)ccn1 ZINC000638348548 430312106 /nfs/dbraw/zinc/31/21/06/430312106.db2.gz OFGSYPRAGLLASC-OAHLLOKOSA-N 1 3 305.466 2.731 20 0 DFADHO COCC1(C[NH2+]Cc2cccc(OCCN(C)C)c2)CCC1 ZINC000638381748 430325773 /nfs/dbraw/zinc/32/57/73/430325773.db2.gz OIRMNKNOFYPHMF-UHFFFAOYSA-N 1 3 306.450 2.533 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccc(F)c(Br)c2)C1 ZINC000568249237 430339099 /nfs/dbraw/zinc/33/90/99/430339099.db2.gz LKQUKLXBWXJREU-VXGBXAGGSA-N 1 3 315.230 2.990 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)C1 ZINC000568249237 430339103 /nfs/dbraw/zinc/33/91/03/430339103.db2.gz LKQUKLXBWXJREU-VXGBXAGGSA-N 1 3 315.230 2.990 20 0 DFADHO C[C@H](O)CN(Cc1ccccc1)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000582899480 430345760 /nfs/dbraw/zinc/34/57/60/430345760.db2.gz PHQXMHCGVAWRHN-YJBOKZPZSA-N 1 3 316.420 2.751 20 0 DFADHO C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H](CN)c1ccc(F)cc1 ZINC000582899480 430345761 /nfs/dbraw/zinc/34/57/61/430345761.db2.gz PHQXMHCGVAWRHN-YJBOKZPZSA-N 1 3 316.420 2.751 20 0 DFADHO C[C@H](O)C[N@H+](Cc1ccccc1)C[C@H](CN)c1ccc(F)cc1 ZINC000582899480 430345766 /nfs/dbraw/zinc/34/57/66/430345766.db2.gz PHQXMHCGVAWRHN-YJBOKZPZSA-N 1 3 316.420 2.751 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CCc3c2cccc3Cl)CC1(C)C ZINC000568351106 430347114 /nfs/dbraw/zinc/34/71/14/430347114.db2.gz ODSBKECODKUPIH-QGZVFWFLSA-N 1 3 321.896 2.943 20 0 DFADHO C[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Sc1ccccc1 ZINC000638704361 430414475 /nfs/dbraw/zinc/41/44/75/430414475.db2.gz HAPKHKOURLSWAA-HNNXBMFYSA-N 1 3 322.518 2.992 20 0 DFADHO CC(C)(O)CN1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000638479252 430354166 /nfs/dbraw/zinc/35/41/66/430354166.db2.gz GBMXLLCAJIGWMM-UHFFFAOYSA-N 1 3 314.832 2.804 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@@H]1CC1(F)F ZINC000638721441 430416899 /nfs/dbraw/zinc/41/68/99/430416899.db2.gz ZKUHACIGMNJGTK-GUYCJALGSA-N 1 3 324.415 2.777 20 0 DFADHO CCCCN1CCC([NH2+]CCC(=O)Nc2ccccc2)CC1 ZINC000583079729 430361436 /nfs/dbraw/zinc/36/14/36/430361436.db2.gz IZHWOVWDILLSMH-UHFFFAOYSA-N 1 3 303.450 2.869 20 0 DFADHO CCCC[NH+]1CCC(NCCC(=O)Nc2ccccc2)CC1 ZINC000583079729 430361437 /nfs/dbraw/zinc/36/14/37/430361437.db2.gz IZHWOVWDILLSMH-UHFFFAOYSA-N 1 3 303.450 2.869 20 0 DFADHO CC(C)C[C@H]1CCC[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000568501084 430363903 /nfs/dbraw/zinc/36/39/03/430363903.db2.gz CSYXRJPWZHESKX-ZBFHGGJFSA-N 1 3 319.497 2.966 20 0 DFADHO c1cnn(C2CC([NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)C2)c1 ZINC000638521780 430367341 /nfs/dbraw/zinc/36/73/41/430367341.db2.gz OUNKBOQUFJWJII-HDYDNRTBSA-N 1 3 324.472 2.741 20 0 DFADHO CC[N@H+](C)Cc1cccc(CNCc2c[nH]c3ncncc23)c1 ZINC000638564244 430376693 /nfs/dbraw/zinc/37/66/93/430376693.db2.gz XDAIBDUJKGWJBZ-UHFFFAOYSA-N 1 3 309.417 2.651 20 0 DFADHO CC[N@@H+](C)Cc1cccc(CNCc2c[nH]c3ncncc23)c1 ZINC000638564244 430376696 /nfs/dbraw/zinc/37/66/96/430376696.db2.gz XDAIBDUJKGWJBZ-UHFFFAOYSA-N 1 3 309.417 2.651 20 0 DFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000635787422 430377681 /nfs/dbraw/zinc/37/76/81/430377681.db2.gz MVQNVGYSKDVEBD-HOTGVXAUSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000635787422 430377684 /nfs/dbraw/zinc/37/76/84/430377684.db2.gz MVQNVGYSKDVEBD-HOTGVXAUSA-N 1 3 323.525 2.734 20 0 DFADHO CO[C@H](C[NH2+]C[C@@H]1CCCN(C(C)C)C1)Cc1ccccc1 ZINC000638566785 430378305 /nfs/dbraw/zinc/37/83/05/430378305.db2.gz QNBPYVYDEKYWEH-OALUTQOASA-N 1 3 304.478 2.954 20 0 DFADHO CO[C@H](CNCC[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000638725669 430418224 /nfs/dbraw/zinc/41/82/24/430418224.db2.gz HEIRFMXWRIYNLX-QXAKKESOSA-N 1 3 320.477 2.538 20 0 DFADHO CO[C@H](CNCC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000638725669 430418229 /nfs/dbraw/zinc/41/82/29/430418229.db2.gz HEIRFMXWRIYNLX-QXAKKESOSA-N 1 3 320.477 2.538 20 0 DFADHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@H]1CC1(F)F ZINC000638693482 430410394 /nfs/dbraw/zinc/41/03/94/430410394.db2.gz UFFHAYVXOAUCCW-LSDHHAIUSA-N 1 3 315.452 2.570 20 0 DFADHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@H]1CC1(F)F ZINC000638693481 430411091 /nfs/dbraw/zinc/41/10/91/430411091.db2.gz UFFHAYVXOAUCCW-HUUCEWRRSA-N 1 3 315.452 2.570 20 0 DFADHO CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@@H]1CN2CCC1CC2 ZINC000638853444 430456097 /nfs/dbraw/zinc/45/60/97/430456097.db2.gz GSPJSOAENQANCW-ZWKOTPCHSA-N 1 3 321.509 2.617 20 0 DFADHO CCC1([NH+]2CCCC2)CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000638862692 430458802 /nfs/dbraw/zinc/45/88/02/430458802.db2.gz ZVHJZTGFJNWRMG-UHFFFAOYSA-N 1 3 319.493 2.528 20 0 DFADHO CCCc1cccc(C[NH2+]CCCCN2CCN(C)CC2)c1 ZINC000548477837 430479407 /nfs/dbraw/zinc/47/94/07/430479407.db2.gz BCKBRXGHLHBSTI-UHFFFAOYSA-N 1 3 303.494 2.756 20 0 DFADHO COC[C@H](CN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)OC ZINC000638973164 430485365 /nfs/dbraw/zinc/48/53/65/430485365.db2.gz XZUMQGOZKFXJFT-YTQUADARSA-N 1 3 318.461 2.606 20 0 DFADHO COC[C@H](CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)OC ZINC000638973164 430485369 /nfs/dbraw/zinc/48/53/69/430485369.db2.gz XZUMQGOZKFXJFT-YTQUADARSA-N 1 3 318.461 2.606 20 0 DFADHO C[C@@H]1CCN(CC[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000569832405 430490523 /nfs/dbraw/zinc/49/05/23/430490523.db2.gz YAGKELRFMASNDV-QRQLOZEOSA-N 1 3 301.478 2.753 20 0 DFADHO Cn1cc(-c2ccc(CNC[C@H]3CCC[N@H+](C)C3)s2)cn1 ZINC000548872276 430506537 /nfs/dbraw/zinc/50/65/37/430506537.db2.gz OTJRTKYSNMDDGO-CYBMUJFWSA-N 1 3 304.463 2.580 20 0 DFADHO Cn1cc(-c2ccc(CNC[C@H]3CCC[N@@H+](C)C3)s2)cn1 ZINC000548872276 430506541 /nfs/dbraw/zinc/50/65/41/430506541.db2.gz OTJRTKYSNMDDGO-CYBMUJFWSA-N 1 3 304.463 2.580 20 0 DFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549143397 430519959 /nfs/dbraw/zinc/51/99/59/430519959.db2.gz GLHWNYVURCFZEQ-IHPCNDPISA-N 1 3 315.505 2.796 20 0 DFADHO Cc1cnn(CC2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000570286172 430529559 /nfs/dbraw/zinc/52/95/59/430529559.db2.gz NZNYQGCRUSUEOY-UHFFFAOYSA-N 1 3 324.472 2.749 20 0 DFADHO CC(C)Oc1ccc2nccc(N3CCO[C@H]([C@H](C)[NH3+])C3)c2c1 ZINC000643018378 430541992 /nfs/dbraw/zinc/54/19/92/430541992.db2.gz ZXRUNXJVQHYGCJ-UGSOOPFHSA-N 1 3 315.417 2.574 20 0 DFADHO C[C@H](C[C@H]1CCCC(=O)N1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000639133000 430537414 /nfs/dbraw/zinc/53/74/14/430537414.db2.gz FZXYALXXNRKXGI-JFIYKMOQSA-N 1 3 321.509 2.820 20 0 DFADHO C[C@H](C[C@H]1CCCC(=O)N1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000639133000 430537415 /nfs/dbraw/zinc/53/74/15/430537415.db2.gz FZXYALXXNRKXGI-JFIYKMOQSA-N 1 3 321.509 2.820 20 0 DFADHO Cc1ncc([C@@H](C)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000639177353 430556340 /nfs/dbraw/zinc/55/63/40/430556340.db2.gz SHGPUKJZZBTCEM-RHSMWYFYSA-N 1 3 302.466 2.818 20 0 DFADHO C[NH+]1CCC([C@H]2CCN(Cc3ccnn3CC3CCC3)C2)CC1 ZINC000639176799 430556802 /nfs/dbraw/zinc/55/68/02/430556802.db2.gz LAEHOYABIMKXPO-SFHVURJKSA-N 1 3 316.493 2.847 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000639177771 430557611 /nfs/dbraw/zinc/55/76/11/430557611.db2.gz WTNBWQMHHDFPMV-WOJBJXKFSA-N 1 3 316.489 2.908 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000639177771 430557614 /nfs/dbraw/zinc/55/76/14/430557614.db2.gz WTNBWQMHHDFPMV-WOJBJXKFSA-N 1 3 316.489 2.908 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000570738806 430572631 /nfs/dbraw/zinc/57/26/31/430572631.db2.gz FBVHDIXNMIVYKY-HZPDHXFCSA-N 1 3 317.477 2.622 20 0 DFADHO O=C(C[NH2+][C@@H]1CCC[C@H](C2CC2)C1)NCCN1CCCCCC1 ZINC000552064825 430582537 /nfs/dbraw/zinc/58/25/37/430582537.db2.gz RIDYUVBCYKOHSU-ZWKOTPCHSA-N 1 3 321.509 2.537 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000570931098 430590400 /nfs/dbraw/zinc/59/04/00/430590400.db2.gz DDNYHRYQDZRNLZ-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000570931098 430590403 /nfs/dbraw/zinc/59/04/03/430590403.db2.gz DDNYHRYQDZRNLZ-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000552247703 430592764 /nfs/dbraw/zinc/59/27/64/430592764.db2.gz XVRJBYHZGBUBGE-UIXUWTQFSA-N 1 3 313.489 2.900 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000552247703 430592769 /nfs/dbraw/zinc/59/27/69/430592769.db2.gz XVRJBYHZGBUBGE-UIXUWTQFSA-N 1 3 313.489 2.900 20 0 DFADHO Cc1ccc(CCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000643457015 430602358 /nfs/dbraw/zinc/60/23/58/430602358.db2.gz CPIVFZCVDSKFFX-HSALFYBXSA-N 1 3 316.489 2.983 20 0 DFADHO CC(C)N1CC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000554882142 430654688 /nfs/dbraw/zinc/65/46/88/430654688.db2.gz GUPWBRUXWUPOHS-CQSZACIVSA-N 1 3 321.431 2.723 20 0 DFADHO COc1cccc2c1OC[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000643451968 430602889 /nfs/dbraw/zinc/60/28/89/430602889.db2.gz GEEKFZRNZBQJCJ-QBPKDAKJSA-N 1 3 316.445 2.509 20 0 DFADHO C[C@H](NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000643453180 430603204 /nfs/dbraw/zinc/60/32/04/430603204.db2.gz MOHWEZFMSFBOHO-IYOUNJFTSA-N 1 3 323.431 2.911 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643452976 430603287 /nfs/dbraw/zinc/60/32/87/430603287.db2.gz BBYCYZRBJKEAGN-GRDNDAEWSA-N 1 3 307.869 2.883 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462704 430603800 /nfs/dbraw/zinc/60/38/00/430603800.db2.gz BLEDJBFXAOOBEP-IVMMDQJWSA-N 1 3 309.404 2.521 20 0 DFADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CC1(F)F ZINC000639309424 430604111 /nfs/dbraw/zinc/60/41/11/430604111.db2.gz AHEZGGDCPORHCG-BBRMVZONSA-N 1 3 309.404 2.927 20 0 DFADHO FC(F)CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000643460010 430604338 /nfs/dbraw/zinc/60/43/38/430604338.db2.gz HMPBMXUFKVYJOV-ARFHVFGLSA-N 1 3 315.452 2.616 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CC1(F)F ZINC000639309426 430604512 /nfs/dbraw/zinc/60/45/12/430604512.db2.gz AHEZGGDCPORHCG-CZUORRHYSA-N 1 3 309.404 2.927 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)[C@@H]1CCCNC1 ZINC000643459103 430604721 /nfs/dbraw/zinc/60/47/21/430604721.db2.gz WBJSKBVINTWMNX-HUUCEWRRSA-N 1 3 318.461 2.713 20 0 DFADHO C[C@@H](NCC(C)(C)c1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000643459103 430604724 /nfs/dbraw/zinc/60/47/24/430604724.db2.gz WBJSKBVINTWMNX-HUUCEWRRSA-N 1 3 318.461 2.713 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCC(C)C)CC2)CC1 ZINC000552926767 430604961 /nfs/dbraw/zinc/60/49/61/430604961.db2.gz XRAOKPCMIBKMLW-UHFFFAOYSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(CC(F)F)CC1 ZINC000643460034 430604989 /nfs/dbraw/zinc/60/49/89/430604989.db2.gz NCLWLPATTUMFFX-HIFRSBDPSA-N 1 3 303.441 2.616 20 0 DFADHO COc1ccc(OC)c(CCC[NH2+][C@H](C)[C@H]2CCCNC2)c1 ZINC000643476598 430607300 /nfs/dbraw/zinc/60/73/00/430607300.db2.gz VQULVKRHVGASPL-ZBFHGGJFSA-N 1 3 306.450 2.614 20 0 DFADHO COc1ccc(OC)c(CCC[NH2+][C@@H](C)[C@@H]2CCCNC2)c1 ZINC000643476596 430607770 /nfs/dbraw/zinc/60/77/70/430607770.db2.gz VQULVKRHVGASPL-GOEBONIOSA-N 1 3 306.450 2.614 20 0 DFADHO CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)cc1 ZINC000643493855 430608209 /nfs/dbraw/zinc/60/82/09/430608209.db2.gz WDKLRDYKHWNSDT-OSGQAZFXSA-N 1 3 320.477 2.606 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCO[C@H](c2nccn2C)C1 ZINC000643493628 430609028 /nfs/dbraw/zinc/60/90/28/430609028.db2.gz ZLBIEZSHJSTURP-QZWWFDLISA-N 1 3 320.481 2.541 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000643512483 430611418 /nfs/dbraw/zinc/61/14/18/430611418.db2.gz MQCFTSFVBVDSEN-QGTPRVQTSA-N 1 3 310.445 2.967 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000643512482 430611789 /nfs/dbraw/zinc/61/17/89/430611789.db2.gz MQCFTSFVBVDSEN-JCGIZDLHSA-N 1 3 310.445 2.967 20 0 DFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCCNCC2)cc1OC ZINC000643522785 430612520 /nfs/dbraw/zinc/61/25/20/430612520.db2.gz SMBZXEKETXDDIA-IIAWOOMASA-N 1 3 306.450 2.928 20 0 DFADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1cnn(Cc2ccccc2)c1 ZINC000643535031 430613022 /nfs/dbraw/zinc/61/30/22/430613022.db2.gz HWJDXJLYSLERLA-CRAIPNDOSA-N 1 3 310.445 2.724 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000639359285 430620045 /nfs/dbraw/zinc/62/00/45/430620045.db2.gz KHVJXVREHPLMRM-BHIYHBOVSA-N 1 3 302.462 2.771 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000639359287 430620648 /nfs/dbraw/zinc/62/06/48/430620648.db2.gz KHVJXVREHPLMRM-NEWSRXKRSA-N 1 3 302.462 2.771 20 0 DFADHO O=C(CC[NH2+]C1CC1)Nc1cccc(CN2CCCCC2)c1 ZINC000571536382 430635691 /nfs/dbraw/zinc/63/56/91/430635691.db2.gz GDVNKZFTXQSEAH-UHFFFAOYSA-N 1 3 301.434 2.753 20 0 DFADHO CN(Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](CCO)c1ccccc1 ZINC000571691235 430645725 /nfs/dbraw/zinc/64/57/25/430645725.db2.gz PGUVMXIMPLGYPC-FQEVSTJZSA-N 1 3 310.441 2.888 20 0 DFADHO C[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000247174655 278286832 /nfs/dbraw/zinc/28/68/32/278286832.db2.gz YSFBCRQXCGFIOV-GJYPPUQNSA-N 1 3 301.478 2.506 20 0 DFADHO C[C@@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000247174655 278286834 /nfs/dbraw/zinc/28/68/34/278286834.db2.gz YSFBCRQXCGFIOV-GJYPPUQNSA-N 1 3 301.478 2.506 20 0 DFADHO COC[C@@H](C)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657774575 430731411 /nfs/dbraw/zinc/73/14/11/430731411.db2.gz ZSASIOYOVXPVBE-SJLPKXTDSA-N 1 3 302.462 2.913 20 0 DFADHO COC[C@@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774575 430731416 /nfs/dbraw/zinc/73/14/16/430731416.db2.gz ZSASIOYOVXPVBE-SJLPKXTDSA-N 1 3 302.462 2.913 20 0 DFADHO c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000657997277 430782995 /nfs/dbraw/zinc/78/29/95/430782995.db2.gz ARMLHABBUZKWIM-ZWKOTPCHSA-N 1 3 310.445 2.830 20 0 DFADHO CC(C)(C)n1cc(CNCC2CC[NH+](CC3CC3)CC2)cn1 ZINC000657811796 430740962 /nfs/dbraw/zinc/74/09/62/430740962.db2.gz GNCHKGNUYPBGLH-UHFFFAOYSA-N 1 3 304.482 2.850 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2ccccc2)C1 ZINC000644531946 430745116 /nfs/dbraw/zinc/74/51/16/430745116.db2.gz JPYCBOAWUOGXEO-INIZCTEOSA-N 1 3 303.450 2.725 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNCCC(=O)Nc2ccccc2)C1 ZINC000644531946 430745119 /nfs/dbraw/zinc/74/51/19/430745119.db2.gz JPYCBOAWUOGXEO-INIZCTEOSA-N 1 3 303.450 2.725 20 0 DFADHO CC(C)N1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000644531946 430745123 /nfs/dbraw/zinc/74/51/23/430745123.db2.gz JPYCBOAWUOGXEO-INIZCTEOSA-N 1 3 303.450 2.725 20 0 DFADHO CC[NH+]1CCC(CN[C@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000644538131 430748364 /nfs/dbraw/zinc/74/83/64/430748364.db2.gz SGDGATSBNUBFKB-INIZCTEOSA-N 1 3 305.470 2.748 20 0 DFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc2cnccc2o1 ZINC000657836559 430749739 /nfs/dbraw/zinc/74/97/39/430749739.db2.gz TVWIKBYONDLQLI-OAHLLOKOSA-N 1 3 316.449 2.506 20 0 DFADHO CC[C@H](Cc1ccc(Cl)cc1)NC[C@H](O)C[NH+]1CCCC1 ZINC000657847385 430753430 /nfs/dbraw/zinc/75/34/30/430753430.db2.gz UYFPCBCLECTXCU-SJORKVTESA-N 1 3 310.869 2.707 20 0 DFADHO c1cc(N2CCC(C[NH2+][C@H]3COC4(CCC4)C3)CC2)ccn1 ZINC000657909508 430764525 /nfs/dbraw/zinc/76/45/25/430764525.db2.gz NESGALSZRNJTTP-MRXNPFEDSA-N 1 3 301.434 2.599 20 0 DFADHO CCCC[C@@H](COC)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658138562 430823108 /nfs/dbraw/zinc/82/31/08/430823108.db2.gz JJWAYDRCSTURHE-OALUTQOASA-N 1 3 320.477 2.548 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCCC34CC4)cc2)C1 ZINC000658139310 430823639 /nfs/dbraw/zinc/82/36/39/430823639.db2.gz QNARDTOKSQPNMJ-ROUUACIJSA-N 1 3 300.446 2.676 20 0 DFADHO COCCC[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166780 430832671 /nfs/dbraw/zinc/83/26/71/430832671.db2.gz ORIZMTUQUHEINH-INIZCTEOSA-N 1 3 305.466 2.698 20 0 DFADHO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc(OCCN(C)C)c1 ZINC000658058028 430795095 /nfs/dbraw/zinc/79/50/95/430795095.db2.gz LCZZZWBLBFJWAJ-GOEBONIOSA-N 1 3 306.450 2.845 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651676553 430845977 /nfs/dbraw/zinc/84/59/77/430845977.db2.gz DUWCHRGGKBGWKB-UHFFFAOYSA-N 1 3 315.505 2.683 20 0 DFADHO Cc1c(C[NH3+])cccc1-c1ccccc1CN1CCN(C)CC1 ZINC000665190499 430852257 /nfs/dbraw/zinc/85/22/57/430852257.db2.gz NKRTWRCRDTVCFQ-UHFFFAOYSA-N 1 3 309.457 2.868 20 0 DFADHO COC[C@H](CC(C)(C)C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000651720918 430858251 /nfs/dbraw/zinc/85/82/51/430858251.db2.gz OBWMMUNTFRUXQE-ULQDDVLXSA-N 1 3 314.514 2.917 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000665235513 430863441 /nfs/dbraw/zinc/86/34/41/430863441.db2.gz WSDPRHOQUIQICN-YCPHGPKFSA-N 1 3 307.869 2.754 20 0 DFADHO Cc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000665245234 430865399 /nfs/dbraw/zinc/86/53/99/430865399.db2.gz CILPUGDWXKJZLD-CEXWTWQISA-N 1 3 302.462 2.593 20 0 DFADHO CO[C@H]1CCC[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000665253834 430870119 /nfs/dbraw/zinc/87/01/19/430870119.db2.gz ANVGTNVSJSKLGW-XMTFNYHQSA-N 1 3 306.425 2.818 20 0 DFADHO C[C@@H]1CCC[C@H](CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)O1 ZINC000665264850 430875480 /nfs/dbraw/zinc/87/54/80/430875480.db2.gz JLEWLQKAIMSIJD-IIHSZXCVSA-N 1 3 316.445 2.790 20 0 DFADHO OCC1CC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000658355729 430885258 /nfs/dbraw/zinc/88/52/58/430885258.db2.gz JGYNCLVJVAUWGX-ZSDFWYKJSA-N 1 3 314.473 2.648 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]CCC[C@@H]2CCOC2)cc1 ZINC000648815687 430902640 /nfs/dbraw/zinc/90/26/40/430902640.db2.gz OFPSXMNBZKBNSI-QGZVFWFLSA-N 1 3 306.450 2.533 20 0 DFADHO COCC1(C[NH2+]Cc2ccc(OCCN(C)C)cc2)CCCC1 ZINC000648845046 430911399 /nfs/dbraw/zinc/91/13/99/430911399.db2.gz MCCKSXARNNIZLY-UHFFFAOYSA-N 1 3 320.477 2.923 20 0 DFADHO CC(C)C1CCC(N2CCN(C[C@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000261687671 278709695 /nfs/dbraw/zinc/70/96/95/278709695.db2.gz ASMQLNJZXQEPNH-CTWPCTMYSA-N 1 3 307.526 2.818 20 0 DFADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)C2CCC(F)CC2)CC1 ZINC000661997452 430916214 /nfs/dbraw/zinc/91/62/14/430916214.db2.gz ANNWITQPDCUQOA-AOCRQIFASA-N 1 3 313.505 2.909 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]C[C@@]2(O)CCCC2(C)C)cc1 ZINC000645191676 430929494 /nfs/dbraw/zinc/92/94/94/430929494.db2.gz GLQGLFDWPMUVQZ-IBGZPJMESA-N 1 3 320.477 2.658 20 0 DFADHO c1cc(CN2CCC3(COC3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000662073005 430948149 /nfs/dbraw/zinc/94/81/49/430948149.db2.gz KNDFRMOLTJLKER-UHFFFAOYSA-N 1 3 300.446 2.895 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@H]2CC2CCC2)CC1 ZINC000662158792 430982451 /nfs/dbraw/zinc/98/24/51/430982451.db2.gz XIBUDZBSGHUFAB-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO CCO[C@@H]1C[C@H](NCCC[N@H+](C)CC(C)C)C12CCOCC2 ZINC000652221904 430992054 /nfs/dbraw/zinc/99/20/54/430992054.db2.gz ACBWZBBADXIMHX-DLBZAZTESA-N 1 3 312.498 2.528 20 0 DFADHO CCO[C@@H]1C[C@H](NCCC[N@@H+](C)CC(C)C)C12CCOCC2 ZINC000652221904 430992060 /nfs/dbraw/zinc/99/20/60/430992060.db2.gz ACBWZBBADXIMHX-DLBZAZTESA-N 1 3 312.498 2.528 20 0 DFADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000645465118 431008911 /nfs/dbraw/zinc/00/89/11/431008911.db2.gz GLTOOOFEVRKRAU-PBHICJAKSA-N 1 3 301.434 2.609 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000655494836 431028991 /nfs/dbraw/zinc/02/89/91/431028991.db2.gz OQNPSIBNUDOSON-DOTOQJQBSA-N 1 3 317.477 2.655 20 0 DFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](OC(C)C)C2)cc1 ZINC000652353197 431029732 /nfs/dbraw/zinc/02/97/32/431029732.db2.gz OXNIYUXSERISFD-SJLPKXTDSA-N 1 3 306.450 2.627 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](OC(C)C)C2)cc1 ZINC000652353197 431029737 /nfs/dbraw/zinc/02/97/37/431029737.db2.gz OXNIYUXSERISFD-SJLPKXTDSA-N 1 3 306.450 2.627 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](OC(C)C)C2)cc1 ZINC000652353197 431029741 /nfs/dbraw/zinc/02/97/41/431029741.db2.gz OXNIYUXSERISFD-SJLPKXTDSA-N 1 3 306.450 2.627 20 0 DFADHO CCC[C@H](NC[C@H]1CCC2(C[NH2+]C2)O1)c1ccc(F)cc1F ZINC000662283522 431031805 /nfs/dbraw/zinc/03/18/05/431031805.db2.gz USQRFXJWALFDDA-CJNGLKHVSA-N 1 3 310.388 2.917 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCOc2ccccc2F)C1 ZINC000652360375 431032340 /nfs/dbraw/zinc/03/23/40/431032340.db2.gz GHQGYXWWULHCAT-HFTRVMKXSA-N 1 3 322.424 2.565 20 0 DFADHO c1ccc(C[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662283494 431033753 /nfs/dbraw/zinc/03/37/53/431033753.db2.gz UEESQYOLKSTSSU-FHWLQOOXSA-N 1 3 314.473 2.899 20 0 DFADHO c1ccc(CCC[C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662283564 431033777 /nfs/dbraw/zinc/03/37/77/431033777.db2.gz AONOQTKDXBDXPW-MOPGFXCFSA-N 1 3 314.473 2.995 20 0 DFADHO c1ccc(CCC[C@@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662283564 431033779 /nfs/dbraw/zinc/03/37/79/431033779.db2.gz AONOQTKDXBDXPW-MOPGFXCFSA-N 1 3 314.473 2.995 20 0 DFADHO CC(C)c1ccc2c(c1)CN(C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662298656 431037921 /nfs/dbraw/zinc/03/79/21/431037921.db2.gz DRUGZAJUHKODJC-SFHVURJKSA-N 1 3 300.446 2.689 20 0 DFADHO C[C@@H]1CCCN(CC(=O)Nc2cccc(F)c2)[C@@H]1CCC[NH3+] ZINC000662313081 431042209 /nfs/dbraw/zinc/04/22/09/431042209.db2.gz INIBDHKYRWPYFX-CZUORRHYSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@@H]1CCCN(CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313585 431043801 /nfs/dbraw/zinc/04/38/01/431043801.db2.gz IZZSBBIRSBHGKF-BSDSXHPESA-N 1 3 323.525 2.863 20 0 DFADHO CC[C@@H](NC)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000662389224 431068291 /nfs/dbraw/zinc/06/82/91/431068291.db2.gz WDIUIOUEHUKNDG-WMLDXEAASA-N 1 3 303.450 2.855 20 0 DFADHO CC[C@@H](NC)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000662389224 431068293 /nfs/dbraw/zinc/06/82/93/431068293.db2.gz WDIUIOUEHUKNDG-WMLDXEAASA-N 1 3 303.450 2.855 20 0 DFADHO CN(Cc1ccc(C(C)(C)C)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249068 431012406 /nfs/dbraw/zinc/01/24/06/431012406.db2.gz ILOMPSZKNLRDNB-KRWDZBQOSA-N 1 3 302.462 2.937 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@H]([NH3+])C(C)C)c1ccsc1 ZINC000645485334 431014085 /nfs/dbraw/zinc/01/40/85/431014085.db2.gz JQLUDZZUHCBMAI-GJZGRUSLSA-N 1 3 311.495 2.621 20 0 DFADHO OC[C@H](CCF)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000652300574 431014532 /nfs/dbraw/zinc/01/45/32/431014532.db2.gz HBIJYNNXSVQCBM-INDMIFKZSA-N 1 3 320.452 2.740 20 0 DFADHO OC[C@H](CCF)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000652300574 431014534 /nfs/dbraw/zinc/01/45/34/431014534.db2.gz HBIJYNNXSVQCBM-INDMIFKZSA-N 1 3 320.452 2.740 20 0 DFADHO Fc1cccc(CC2CC[NH+](C[C@@H]3CCC4(CNC4)O3)CC2)c1 ZINC000662252406 431016217 /nfs/dbraw/zinc/01/62/17/431016217.db2.gz NJVXSKDFBUDZSP-SFHVURJKSA-N 1 3 318.436 2.601 20 0 DFADHO C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CNC3)O2)[C@@H]1c1cccc(F)c1 ZINC000662256234 431018195 /nfs/dbraw/zinc/01/81/95/431018195.db2.gz HQQSCZHHDJIFFB-COXVUDFISA-N 1 3 304.409 2.730 20 0 DFADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)[C@@H]1c1cccc(F)c1 ZINC000662256234 431018198 /nfs/dbraw/zinc/01/81/98/431018198.db2.gz HQQSCZHHDJIFFB-COXVUDFISA-N 1 3 304.409 2.730 20 0 DFADHO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662256598 431018896 /nfs/dbraw/zinc/01/88/96/431018896.db2.gz WSQBBNGYUKYCSR-XOKHGSTOSA-N 1 3 304.409 2.730 20 0 DFADHO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662256598 431018899 /nfs/dbraw/zinc/01/88/99/431018899.db2.gz WSQBBNGYUKYCSR-XOKHGSTOSA-N 1 3 304.409 2.730 20 0 DFADHO C[NH+](C)Cc1ccc(NC2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000655745125 431110935 /nfs/dbraw/zinc/11/09/35/431110935.db2.gz AYIWJODHVFASCP-IBGZPJMESA-N 1 3 317.477 2.804 20 0 DFADHO CC[C@H]([NH2+]C1CCN(C2CCN(C)CC2)CC1)[C@@H]1CC1(C)C ZINC000666086538 431111341 /nfs/dbraw/zinc/11/13/41/431111341.db2.gz DPZFBPGOQMKGJR-ROUUACIJSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CS1 ZINC000655750981 431112437 /nfs/dbraw/zinc/11/24/37/431112437.db2.gz ILEPVSCJTNOKLH-FHLIZLRMSA-N 1 3 320.502 2.627 20 0 DFADHO C[C@@H]1CCC[C@@](CNC(=O)c2cccc3c2CNC3)([NH+](C)C)C1 ZINC000662400755 431072323 /nfs/dbraw/zinc/07/23/23/431072323.db2.gz FLRABBJVOTUSPB-AUUYWEPGSA-N 1 3 315.461 2.530 20 0 DFADHO CC[C@@H](NC)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662416424 431075813 /nfs/dbraw/zinc/07/58/13/431075813.db2.gz CRDHIYCTFFRTRS-QGZVFWFLSA-N 1 3 303.450 2.999 20 0 DFADHO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1F ZINC000665984117 431084201 /nfs/dbraw/zinc/08/42/01/431084201.db2.gz LLYFUSJEWDDAHF-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1F ZINC000665984117 431084206 /nfs/dbraw/zinc/08/42/06/431084206.db2.gz LLYFUSJEWDDAHF-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO COc1c(C)cnc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000649417994 431096243 /nfs/dbraw/zinc/09/62/43/431096243.db2.gz TXRCBPOYIXRXEL-IAGOWNOFSA-N 1 3 317.477 2.919 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cncnc2C)[C@H](C)C1 ZINC000655716499 431096619 /nfs/dbraw/zinc/09/66/19/431096619.db2.gz UNFKRDLIYDENJW-KYJSFNMBSA-N 1 3 320.481 2.573 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000354266421 279266935 /nfs/dbraw/zinc/26/69/35/279266935.db2.gz NMDURNVAMONPIO-QZTJIDSGSA-N 1 3 317.477 2.588 20 0 DFADHO CCN1CCCC[C@H]1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000104145394 279277864 /nfs/dbraw/zinc/27/78/64/279277864.db2.gz TXJSLPRYNXDJIK-IRXDYDNUSA-N 1 3 309.498 2.632 20 0 DFADHO CCN1CCCC[C@H]1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000104145394 279277867 /nfs/dbraw/zinc/27/78/67/279277867.db2.gz TXJSLPRYNXDJIK-IRXDYDNUSA-N 1 3 309.498 2.632 20 0 DFADHO CCCN1CC[C@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662704286 431168526 /nfs/dbraw/zinc/16/85/26/431168526.db2.gz YHGYSKCIJPHBBF-SJORKVTESA-N 1 3 309.498 2.665 20 0 DFADHO C[NH+](C)[C@H]1C[C@@H](CNCc2c(F)cccc2N2CCCC2)C1 ZINC000655826403 431170450 /nfs/dbraw/zinc/17/04/50/431170450.db2.gz VBEHKILPBRLWGG-GASCZTMLSA-N 1 3 305.441 2.856 20 0 DFADHO C[NH+]1CCC2(CC1)CN(C[C@H]1CCCCC1(F)F)CCO2 ZINC000646106869 431193477 /nfs/dbraw/zinc/19/34/77/431193477.db2.gz WYVKXNPXZUTKJX-CQSZACIVSA-N 1 3 302.409 2.609 20 0 DFADHO C[NH+]1CCC2(CC1)CN(C[C@@H]1CCCCC1(F)F)CCO2 ZINC000646106867 431193663 /nfs/dbraw/zinc/19/36/63/431193663.db2.gz WYVKXNPXZUTKJX-AWEZNQCLSA-N 1 3 302.409 2.609 20 0 DFADHO C[NH+](C)[C@H](CNC(=O)c1cccc2c1CNC2)C1CCCCC1 ZINC000662679544 431159277 /nfs/dbraw/zinc/15/92/77/431159277.db2.gz QDZANUVWRXBYDQ-GOSISDBHSA-N 1 3 315.461 2.530 20 0 DFADHO C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])N1CCCCCC1 ZINC000662893744 431233500 /nfs/dbraw/zinc/23/35/00/431233500.db2.gz QFAORNLBXCSZKF-IXDOHACOSA-N 1 3 309.498 2.617 20 0 DFADHO CC(C)[NH2+]CCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646410081 431299923 /nfs/dbraw/zinc/29/99/23/431299923.db2.gz PRFVHELYXMTYIQ-GOSISDBHSA-N 1 3 317.477 2.718 20 0 DFADHO C[C@H](Cc1ccccn1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656201469 431305738 /nfs/dbraw/zinc/30/57/38/431305738.db2.gz PTJDGYCFDCVHLN-BPAFIMBUSA-N 1 3 323.440 2.858 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)c1ccsc1 ZINC000653110065 431271228 /nfs/dbraw/zinc/27/12/28/431271228.db2.gz WSAPOBSQAVQRON-ZBFHGGJFSA-N 1 3 323.506 2.637 20 0 DFADHO C[C@H](NCCO[C@@H]1CC1(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256399 431344198 /nfs/dbraw/zinc/34/41/98/431344198.db2.gz LUATZTFUKBPLSK-GZBFAFLISA-N 1 3 302.409 2.653 20 0 DFADHO C[C@H](NCCO[C@@H]1CC1(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256399 431344204 /nfs/dbraw/zinc/34/42/04/431344204.db2.gz LUATZTFUKBPLSK-GZBFAFLISA-N 1 3 302.409 2.653 20 0 DFADHO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@@H]1CCCN(C2CCC2)C1 ZINC000660256399 431344210 /nfs/dbraw/zinc/34/42/10/431344210.db2.gz LUATZTFUKBPLSK-GZBFAFLISA-N 1 3 302.409 2.653 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000653525839 431420513 /nfs/dbraw/zinc/42/05/13/431420513.db2.gz INIBHCIDVBNFDU-RTBURBONSA-N 1 3 304.478 2.562 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000653525839 431420518 /nfs/dbraw/zinc/42/05/18/431420518.db2.gz INIBHCIDVBNFDU-RTBURBONSA-N 1 3 304.478 2.562 20 0 DFADHO Fc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000666952505 431423148 /nfs/dbraw/zinc/42/31/48/431423148.db2.gz YVNOMZWWJOWWBC-CYBMUJFWSA-N 1 3 313.214 2.820 20 0 DFADHO CN(C(=O)CCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000663358657 431384099 /nfs/dbraw/zinc/38/40/99/431384099.db2.gz ARJBDMSQSCMNCZ-ZNXRZULTSA-N 1 3 315.461 2.644 20 0 DFADHO CN(C(=O)CCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000663358657 431384107 /nfs/dbraw/zinc/38/41/07/431384107.db2.gz ARJBDMSQSCMNCZ-ZNXRZULTSA-N 1 3 315.461 2.644 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)N[C@H]1CCC[NH2+]CC1 ZINC000666857859 431386419 /nfs/dbraw/zinc/38/64/19/431386419.db2.gz MULBTHSWHHDXPN-JSGCOSHPSA-N 1 3 309.841 2.789 20 0 DFADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCCNCC1 ZINC000666858150 431387001 /nfs/dbraw/zinc/38/70/01/431387001.db2.gz ZZVUCEFEXGNPGF-JKSUJKDBSA-N 1 3 306.450 2.757 20 0 DFADHO C[C@@H]1C[NH2+]CC[C@H]1CN1CCNC[C@@H]1c1ccccc1Cl ZINC000663495250 431444033 /nfs/dbraw/zinc/44/40/33/431444033.db2.gz WIEIYBDPNLAMBV-JKIFEVAISA-N 1 3 307.869 2.532 20 0 DFADHO CC(C)[C@H]([NH3+])CCNCc1ccc(Oc2cnccn2)cc1 ZINC000663499288 431445141 /nfs/dbraw/zinc/44/51/41/431445141.db2.gz IGZXSPUGIFGPGL-MRXNPFEDSA-N 1 3 300.406 2.732 20 0 DFADHO COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)n1 ZINC000663468775 431435642 /nfs/dbraw/zinc/43/56/42/431435642.db2.gz MRWNXFAIERBOCK-RDJZCZTQSA-N 1 3 317.477 2.733 20 0 DFADHO COc1cccc(C[C@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663468775 431435651 /nfs/dbraw/zinc/43/56/51/431435651.db2.gz MRWNXFAIERBOCK-RDJZCZTQSA-N 1 3 317.477 2.733 20 0 DFADHO COc1cccc(C[C@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663468775 431435657 /nfs/dbraw/zinc/43/56/57/431435657.db2.gz MRWNXFAIERBOCK-RDJZCZTQSA-N 1 3 317.477 2.733 20 0 DFADHO Cc1cccn2c(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)cnc12 ZINC000656786289 431522052 /nfs/dbraw/zinc/52/20/52/431522052.db2.gz RVWAUBQTLRIJSY-QGZVFWFLSA-N 1 3 312.461 2.854 20 0 DFADHO c1cc(CNCc2ccc3c(c2)C[NH2+]CC3)c2c(c1)NCCC2 ZINC000656787298 431522206 /nfs/dbraw/zinc/52/22/06/431522206.db2.gz WVBKWOGWCPUWSV-UHFFFAOYSA-N 1 3 307.441 2.980 20 0 DFADHO C[C@@H]1C[NH2+]C[C@H](NC[C@H]2CCN(c3ccccc3Cl)C2)C1 ZINC000656787685 431522414 /nfs/dbraw/zinc/52/24/14/431522414.db2.gz RIANWOFARRJVRO-RRFJBIMHSA-N 1 3 307.869 2.754 20 0 DFADHO CCOc1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656786292 431522908 /nfs/dbraw/zinc/52/29/08/431522908.db2.gz RYQIXTNUDAKINT-INIZCTEOSA-N 1 3 303.450 2.692 20 0 DFADHO COc1ccc(OC)c(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786212 431523459 /nfs/dbraw/zinc/52/34/59/431523459.db2.gz PTVGVLPJQCWFNG-INIZCTEOSA-N 1 3 318.461 2.915 20 0 DFADHO Cn1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c(C(C)(C)C)n1 ZINC000656786183 431523550 /nfs/dbraw/zinc/52/35/50/431523550.db2.gz LWOGODQWOGJCKC-MRXNPFEDSA-N 1 3 318.509 2.929 20 0 DFADHO C[C@@]1(CNC[C@H]2CCN(c3ccccc3Cl)C2)CC[NH2+]C1 ZINC000656787343 431523704 /nfs/dbraw/zinc/52/37/04/431523704.db2.gz HURXSIZGRJVBAF-RHSMWYFYSA-N 1 3 307.869 2.756 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1(N)CCCC1 ZINC000656789604 431526186 /nfs/dbraw/zinc/52/61/86/431526186.db2.gz SBXXTRZSRADXTM-LBPRGKRZSA-N 1 3 309.841 2.918 20 0 DFADHO CC(C)C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccncc1 ZINC000647282114 431535270 /nfs/dbraw/zinc/53/52/70/431535270.db2.gz AARFSZMARJPWOB-IBGZPJMESA-N 1 3 318.509 2.784 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](CCN2CCN(C)C3(CCCCC3)C2)C1 ZINC000660673392 431544032 /nfs/dbraw/zinc/54/40/32/431544032.db2.gz SJVOTROXZXKESR-ROUUACIJSA-N 1 3 307.526 2.915 20 0 DFADHO CC[C@@H](C(=O)N[C@@H](CN(C)C)c1ccccc1)[NH+](CC)CC ZINC000274166419 280080512 /nfs/dbraw/zinc/08/05/12/280080512.db2.gz NACHQDDISFEPJA-IRXDYDNUSA-N 1 3 305.466 2.526 20 0 DFADHO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000293620121 280189457 /nfs/dbraw/zinc/18/94/57/280189457.db2.gz HACHJLDNUFPUCO-KBXCAEBGSA-N 1 3 316.445 2.998 20 0 DFADHO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000293620121 280189459 /nfs/dbraw/zinc/18/94/59/280189459.db2.gz HACHJLDNUFPUCO-KBXCAEBGSA-N 1 3 316.445 2.998 20 0 DFADHO COCCCOc1cccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000650708854 431655890 /nfs/dbraw/zinc/65/58/90/431655890.db2.gz QWZYGIPPIXZNRF-HKUYNNGSSA-N 1 3 318.461 2.663 20 0 DFADHO COCCCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000650708854 431655896 /nfs/dbraw/zinc/65/58/96/431655896.db2.gz QWZYGIPPIXZNRF-HKUYNNGSSA-N 1 3 318.461 2.663 20 0 DFADHO COCCCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000650708854 431655900 /nfs/dbraw/zinc/65/59/00/431655900.db2.gz QWZYGIPPIXZNRF-HKUYNNGSSA-N 1 3 318.461 2.663 20 0 DFADHO COCCOc1ccc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000650711240 431655967 /nfs/dbraw/zinc/65/59/67/431655967.db2.gz MRVXWKVRPFPEKF-QAPCUYQASA-N 1 3 306.450 2.661 20 0 DFADHO [NH3+]CC1(CCNCc2csc(COc3ccccc3)n2)CC1 ZINC000650712347 431660289 /nfs/dbraw/zinc/66/02/89/431660289.db2.gz BFQDVRVHSTYKFW-UHFFFAOYSA-N 1 3 317.458 2.941 20 0 DFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C[C@H]1CCC[NH2+]C1 ZINC000647515486 431611279 /nfs/dbraw/zinc/61/12/79/431611279.db2.gz HRPOLKDJJOLTGM-HKUYNNGSSA-N 1 3 301.478 2.582 20 0 DFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C[C@]1(C)CC[NH2+]C1 ZINC000647515630 431611692 /nfs/dbraw/zinc/61/16/92/431611692.db2.gz SKYZVTADYJOJQM-PKOBYXMFSA-N 1 3 301.478 2.582 20 0 DFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C[C@@]1(C)CC[NH2+]C1 ZINC000647515629 431612216 /nfs/dbraw/zinc/61/22/16/431612216.db2.gz SKYZVTADYJOJQM-MJGOQNOKSA-N 1 3 301.478 2.582 20 0 DFADHO c1cc2c(cc1CN1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000647543500 431625245 /nfs/dbraw/zinc/62/52/45/431625245.db2.gz OKLIQTOAZYFURT-SJORKVTESA-N 1 3 316.445 2.669 20 0 DFADHO Cc1cccc2ncc(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n21 ZINC000647543104 431625968 /nfs/dbraw/zinc/62/59/68/431625968.db2.gz HRQCFMRTTCARBE-SJORKVTESA-N 1 3 312.461 2.854 20 0 DFADHO CCN1CCN(c2ccc(N[C@@H]3C[NH2+]C[C@H](C)C3)c(C)c2)CC1 ZINC000647547762 431628334 /nfs/dbraw/zinc/62/83/34/431628334.db2.gz CFRQWYCPQJCEIB-WBVHZDCISA-N 1 3 316.493 2.547 20 0 DFADHO COc1cccc(-c2n[nH]cc2CN2CCC(CC[NH3+])CC2)c1 ZINC000650720823 431665066 /nfs/dbraw/zinc/66/50/66/431665066.db2.gz BZWKSRBPFONVPS-UHFFFAOYSA-N 1 3 314.433 2.646 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCc2c1ccc(=O)n2C ZINC000650724607 431668140 /nfs/dbraw/zinc/66/81/40/431668140.db2.gz JBZYSAGRRHWQPR-HLLBOEOZSA-N 1 3 317.477 2.663 20 0 DFADHO c1cc([C@@H]2C[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CCO2)ccn1 ZINC000650752350 431680839 /nfs/dbraw/zinc/68/08/39/431680839.db2.gz PKLRRSRWVFOABV-SPOLIRPYSA-N 1 3 315.461 2.812 20 0 DFADHO C[C@H](COCC1CC1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000650760826 431681983 /nfs/dbraw/zinc/68/19/83/431681983.db2.gz NBXAFXZIWLUUNT-LSBZLQRGSA-N 1 3 316.445 2.647 20 0 DFADHO Cc1c([C@H](C)NCCC2CC[NH2+]CC2)nnn1-c1ccccc1 ZINC000650763481 431685045 /nfs/dbraw/zinc/68/50/45/431685045.db2.gz AYKVMLDFZVPIHR-AWEZNQCLSA-N 1 3 313.449 2.616 20 0 DFADHO Cc1c[nH]c(CNCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000657338914 431685766 /nfs/dbraw/zinc/68/57/66/431685766.db2.gz WSNMZBQRYBHXKG-UHFFFAOYSA-N 1 3 304.463 2.781 20 0 DFADHO COCCc1nc(C)c([C@H](C)NCc2ccc(C[NH3+])cc2)s1 ZINC000647803157 431694268 /nfs/dbraw/zinc/69/42/68/431694268.db2.gz IDBLWYDVLQGPES-LBPRGKRZSA-N 1 3 319.474 2.950 20 0 DFADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)Nc1ccc(Cl)cc1 ZINC000647814798 431697213 /nfs/dbraw/zinc/69/72/13/431697213.db2.gz GQQPFYULELVTRY-UHFFFAOYSA-N 1 3 321.852 2.885 20 0 DFADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)Nc1ccc(Cl)cc1 ZINC000647814798 431697219 /nfs/dbraw/zinc/69/72/19/431697219.db2.gz GQQPFYULELVTRY-UHFFFAOYSA-N 1 3 321.852 2.885 20 0 DFADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)Nc1ccc(Cl)cc1 ZINC000647814798 431697223 /nfs/dbraw/zinc/69/72/23/431697223.db2.gz GQQPFYULELVTRY-UHFFFAOYSA-N 1 3 321.852 2.885 20 0 DFADHO Cc1ccc2ccnc(NCC[N@@H+](C)CCCN(C)C)c2c1 ZINC000664244849 431712481 /nfs/dbraw/zinc/71/24/81/431712481.db2.gz LMVBMKWLVSDUKA-UHFFFAOYSA-N 1 3 300.450 2.839 20 0 DFADHO Cc1ccc2ccnc(NCC[N@H+](C)CCCN(C)C)c2c1 ZINC000664244849 431712488 /nfs/dbraw/zinc/71/24/88/431712488.db2.gz LMVBMKWLVSDUKA-UHFFFAOYSA-N 1 3 300.450 2.839 20 0 DFADHO C[NH2+]Cc1ccccc1CNCc1cc(OC)cc(OC)c1 ZINC000650718756 431662721 /nfs/dbraw/zinc/66/27/21/431662721.db2.gz WJWMMQDUCUWXMI-UHFFFAOYSA-N 1 3 300.402 2.713 20 0 DFADHO Cc1ccc2cc(CNCC3(O)CC[NH+](C(C)C)CC3)[nH]c2c1 ZINC000657398348 431726338 /nfs/dbraw/zinc/72/63/38/431726338.db2.gz JRYQZPILXIWSGR-UHFFFAOYSA-N 1 3 315.461 2.801 20 0 DFADHO Cc1ncc(CNC2CCC([NH+]3CCC(C)CC3)CC2)n1C ZINC000657415820 431734320 /nfs/dbraw/zinc/73/43/20/431734320.db2.gz NULZRVOOCNNNBD-UHFFFAOYSA-N 1 3 304.482 2.861 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000647972001 431758712 /nfs/dbraw/zinc/75/87/12/431758712.db2.gz FSGPIPIQVLUBFW-QRVBRYPASA-N 1 3 304.478 2.689 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000647972001 431758717 /nfs/dbraw/zinc/75/87/17/431758717.db2.gz FSGPIPIQVLUBFW-QRVBRYPASA-N 1 3 304.478 2.689 20 0 DFADHO COc1ccc2nc(NCC[N@H+](C)CCCN(C)C)ccc2c1 ZINC000664247012 431715602 /nfs/dbraw/zinc/71/56/02/431715602.db2.gz CKNZUVPLMLEAFY-UHFFFAOYSA-N 1 3 316.449 2.539 20 0 DFADHO COc1ccc2nc(NCC[N@@H+](C)CCCN(C)C)ccc2c1 ZINC000664247012 431715607 /nfs/dbraw/zinc/71/56/07/431715607.db2.gz CKNZUVPLMLEAFY-UHFFFAOYSA-N 1 3 316.449 2.539 20 0 DFADHO FC(F)(F)CO[C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000647879808 431717288 /nfs/dbraw/zinc/71/72/88/431717288.db2.gz ATDFQSSLHHYPDB-AWEZNQCLSA-N 1 3 308.388 2.810 20 0 DFADHO COc1cccc2c1CC[C@@H]2NC1CC[NH+](CC(C)(C)O)CC1 ZINC000647909366 431723117 /nfs/dbraw/zinc/72/31/17/431723117.db2.gz IDYVZTUEXMATCM-KRWDZBQOSA-N 1 3 318.461 2.507 20 0 DFADHO C[C@@H](C[NH2+]Cc1ccc(OCCN(C)C)cc1)c1ccccn1 ZINC000657534866 431799304 /nfs/dbraw/zinc/79/93/04/431799304.db2.gz ZQFLSJDAQNHBRZ-INIZCTEOSA-N 1 3 313.445 2.915 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnc(C2CCC2)s1 ZINC000657574283 431814617 /nfs/dbraw/zinc/81/46/17/431814617.db2.gz VJDVIIYPQGBHGN-AWEZNQCLSA-N 1 3 324.538 2.772 20 0 DFADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CS1 ZINC000657598015 431821678 /nfs/dbraw/zinc/82/16/78/431821678.db2.gz WYSAXGJHFAYVSS-OLMNPRSZSA-N 1 3 320.502 2.627 20 0 DFADHO COC1(C[NH2+]CC2CCN(Cc3ccncc3)CC2)CCCC1 ZINC000657612945 431824739 /nfs/dbraw/zinc/82/47/39/431824739.db2.gz GKPIRAPHDMWJFF-UHFFFAOYSA-N 1 3 317.477 2.842 20 0 DFADHO Cc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)nc1 ZINC000657613889 431825423 /nfs/dbraw/zinc/82/54/23/431825423.db2.gz VZSCIWCBQQQOTJ-UHFFFAOYSA-N 1 3 310.445 2.787 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(C3CCN(C)CC3)C1)CC2 ZINC000370634076 281125760 /nfs/dbraw/zinc/12/57/60/281125760.db2.gz JRNBGWOSVKQNFU-FXAWDEMLSA-N 1 3 313.489 2.740 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCSC(C)(C)C ZINC000370172466 289333723 /nfs/dbraw/zinc/33/37/23/289333723.db2.gz KXJBGRZZISFUGP-ILXRZTDVSA-N 1 3 300.512 2.702 20 0 DFADHO CCOC(C)(C)C[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000436410481 297002006 /nfs/dbraw/zinc/00/20/06/297002006.db2.gz JDTDPUALCQVIEB-UHFFFAOYSA-N 1 3 319.493 2.733 20 0 DFADHO Cc1ccc(C)c([C@H](C)[NH2+]CCCCN2CCN(C)CC2)c1 ZINC000154362457 295298634 /nfs/dbraw/zinc/29/86/34/295298634.db2.gz YZOZBWRIQXLHTB-SFHVURJKSA-N 1 3 303.494 2.982 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000154403525 295299486 /nfs/dbraw/zinc/29/94/86/295299486.db2.gz SNSDWNZIPCNZEG-GOSISDBHSA-N 1 3 317.477 2.518 20 0 DFADHO CCc1ccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)s1 ZINC000154437221 295300407 /nfs/dbraw/zinc/30/04/07/295300407.db2.gz XFYWYQGHDWUTHY-OAHLLOKOSA-N 1 3 309.523 2.989 20 0 DFADHO C[C@@H]1C[C@H](C)CN(CC2(C[N@H+]3C[C@H](C)C[C@H](C)C3)COC2)C1 ZINC000157329984 295347195 /nfs/dbraw/zinc/34/71/95/295347195.db2.gz PFQFHBYITXJHGN-USTZCAOPSA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H]1C[C@H](C)CN(CC2(C[N@@H+]3C[C@H](C)C[C@H](C)C3)COC2)C1 ZINC000157329984 295347198 /nfs/dbraw/zinc/34/71/98/295347198.db2.gz PFQFHBYITXJHGN-USTZCAOPSA-N 1 3 308.510 2.959 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@H]2CCC(C)C)CC1 ZINC000158116501 295358959 /nfs/dbraw/zinc/35/89/59/295358959.db2.gz WJZCNBHFJDLARX-SFHVURJKSA-N 1 3 323.525 2.878 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2CCC(C)C)CC1 ZINC000158116329 295358964 /nfs/dbraw/zinc/35/89/64/295358964.db2.gz WJZCNBHFJDLARX-GOSISDBHSA-N 1 3 323.525 2.878 20 0 DFADHO CCC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccn1 ZINC000158625956 295365228 /nfs/dbraw/zinc/36/52/28/295365228.db2.gz OSLWDFOJYIXHBU-QGZVFWFLSA-N 1 3 304.482 2.540 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000363779706 295443532 /nfs/dbraw/zinc/44/35/32/295443532.db2.gz AYINQAGQQBVCJL-SYNHAJSKSA-N 1 3 313.489 2.678 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc(C)cc2C)CC1 ZINC000411454896 295540653 /nfs/dbraw/zinc/54/06/53/295540653.db2.gz ZNUHQOHJMYFHHO-MRXNPFEDSA-N 1 3 317.477 2.555 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@H]2CCC[C@@H]2CCC(C)C)CC1 ZINC000411607767 295548420 /nfs/dbraw/zinc/54/84/20/295548420.db2.gz KERZYBBYOCNQPA-AEFFLSMTSA-N 1 3 323.525 2.781 20 0 DFADHO C[C@@H](CNC(=O)[C@@H]1CCCN1C1CCCC1)C[NH+]1CCCCC1 ZINC000438568778 297098833 /nfs/dbraw/zinc/09/88/33/297098833.db2.gz QQOGSRDWWUAFDA-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO CC(C)(CNC(=O)[C@H]1CCCN1C1CCCC1)[NH+]1CCCCC1 ZINC000438578605 297099768 /nfs/dbraw/zinc/09/97/68/297099768.db2.gz YBYUWIFYULPPEA-QGZVFWFLSA-N 1 3 321.509 2.774 20 0 DFADHO CC(C)n1ncc2cc(CN3CCC[C@H](CC[NH3+])C3)cnc21 ZINC000442920137 297211261 /nfs/dbraw/zinc/21/12/61/297211261.db2.gz GLVRAVFPTZWLJL-CQSZACIVSA-N 1 3 301.438 2.573 20 0 DFADHO CCC[C@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443060871 297214494 /nfs/dbraw/zinc/21/44/94/297214494.db2.gz PXYMRJRIKGUTJA-AEFFLSMTSA-N 1 3 317.477 2.705 20 0 DFADHO CC1=CCC[C@@H](C)[C@@H]1C[NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000443640677 297223730 /nfs/dbraw/zinc/22/37/30/297223730.db2.gz NVARDICWMHIMRZ-KURKYZTESA-N 1 3 323.525 2.661 20 0 DFADHO CC[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)NC1CCN(C2CC2)CC1 ZINC000444659199 297243614 /nfs/dbraw/zinc/24/36/14/297243614.db2.gz CNLTWHRKPNTWPT-YJBOKZPZSA-N 1 3 321.509 2.630 20 0 DFADHO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)NC1CCN(C2CC2)CC1 ZINC000444659199 297243616 /nfs/dbraw/zinc/24/36/16/297243616.db2.gz CNLTWHRKPNTWPT-YJBOKZPZSA-N 1 3 321.509 2.630 20 0 DFADHO c1nc([C@@H]2CCCO2)sc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446885727 297289693 /nfs/dbraw/zinc/28/96/93/297289693.db2.gz YIAARVFEVLGENS-INIZCTEOSA-N 1 3 321.490 2.959 20 0 DFADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(-c2ccncc2)cc1 ZINC000447597033 297309885 /nfs/dbraw/zinc/30/98/85/297309885.db2.gz DCPKJIUNLAZBAF-MRXNPFEDSA-N 1 3 313.445 2.977 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(C)c(OC)c2)C1 ZINC000447727919 297314852 /nfs/dbraw/zinc/31/48/52/297314852.db2.gz CULXKNXDQYOUKU-SFHVURJKSA-N 1 3 320.477 2.936 20 0 DFADHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cs1 ZINC000449036593 297395299 /nfs/dbraw/zinc/39/52/99/297395299.db2.gz KOLJRMBETLQFMY-PBHICJAKSA-N 1 3 307.507 2.514 20 0 DFADHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cs1 ZINC000449036593 297395301 /nfs/dbraw/zinc/39/53/01/297395301.db2.gz KOLJRMBETLQFMY-PBHICJAKSA-N 1 3 307.507 2.514 20 0 DFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H](C)CN(C)C)CC1 ZINC000449322885 297445379 /nfs/dbraw/zinc/44/53/79/297445379.db2.gz ZPSLJTCTAIENKB-DLBZAZTESA-N 1 3 303.494 2.622 20 0 DFADHO COC1([C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)CCOCC1 ZINC000453120930 298064612 /nfs/dbraw/zinc/06/46/12/298064612.db2.gz CWQZNMSGUKNYOY-INIZCTEOSA-N 1 3 324.509 2.957 20 0 DFADHO COC1([C@H](C)NC2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000453120930 298064614 /nfs/dbraw/zinc/06/46/14/298064614.db2.gz CWQZNMSGUKNYOY-INIZCTEOSA-N 1 3 324.509 2.957 20 0 DFADHO c1ccc(CN2CC[C@H]([NH2+]CCN3CCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453174779 298068648 /nfs/dbraw/zinc/06/86/48/298068648.db2.gz PAGMJJVZKLPERZ-HSALFYBXSA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(C[N@H+]2CC[C@H](NCCN3CCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453174779 298068650 /nfs/dbraw/zinc/06/86/50/298068650.db2.gz PAGMJJVZKLPERZ-HSALFYBXSA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@H](NCCN3CCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453174779 298068652 /nfs/dbraw/zinc/06/86/52/298068652.db2.gz PAGMJJVZKLPERZ-HSALFYBXSA-N 1 3 313.489 2.725 20 0 DFADHO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000453198196 298070634 /nfs/dbraw/zinc/07/06/34/298070634.db2.gz OUTRZNVOWXXHAO-OWCLPIDISA-N 1 3 302.466 2.650 20 0 DFADHO C[C@H](Cc1cnccn1)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453198196 298070638 /nfs/dbraw/zinc/07/06/38/298070638.db2.gz OUTRZNVOWXXHAO-OWCLPIDISA-N 1 3 302.466 2.650 20 0 DFADHO C[C@H](Cc1cnccn1)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000453198196 298070640 /nfs/dbraw/zinc/07/06/40/298070640.db2.gz OUTRZNVOWXXHAO-OWCLPIDISA-N 1 3 302.466 2.650 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1C ZINC000453469196 298097707 /nfs/dbraw/zinc/09/77/07/298097707.db2.gz ZXSZLKQVMMIHAN-PSBWJHGTSA-N 1 3 304.478 2.525 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1C ZINC000453469196 298097709 /nfs/dbraw/zinc/09/77/09/298097709.db2.gz ZXSZLKQVMMIHAN-PSBWJHGTSA-N 1 3 304.478 2.525 20 0 DFADHO O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453625925 298106884 /nfs/dbraw/zinc/10/68/84/298106884.db2.gz FPXBIJQOPIUBCJ-CXQPBAHBSA-N 1 3 314.473 2.648 20 0 DFADHO COC(=O)N1CCC([C@H](C)N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000496745281 300107458 /nfs/dbraw/zinc/10/74/58/300107458.db2.gz KXJQNIFJBXKZMN-AFAVFJNCSA-N 1 3 317.433 2.588 20 0 DFADHO COC(=O)Nc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000497106866 300162302 /nfs/dbraw/zinc/16/23/02/300162302.db2.gz MBWZURQKKKTZLL-ZBFHGGJFSA-N 1 3 305.422 2.515 20 0 DFADHO CCn1nccc1CCN[C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000503220774 300219588 /nfs/dbraw/zinc/21/95/88/300219588.db2.gz IPSYPVFFQPMLEB-SJLPKXTDSA-N 1 3 306.498 2.936 20 0 DFADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCc1ccnn1CC ZINC000503220774 300219592 /nfs/dbraw/zinc/21/95/92/300219592.db2.gz IPSYPVFFQPMLEB-SJLPKXTDSA-N 1 3 306.498 2.936 20 0 DFADHO CCn1nccc1CCN[C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000503220772 300219969 /nfs/dbraw/zinc/21/99/69/300219969.db2.gz IPSYPVFFQPMLEB-AEFFLSMTSA-N 1 3 306.498 2.936 20 0 DFADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccnn1CC ZINC000503220772 300219971 /nfs/dbraw/zinc/21/99/71/300219971.db2.gz IPSYPVFFQPMLEB-AEFFLSMTSA-N 1 3 306.498 2.936 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@H]1CCCOC1 ZINC000507489790 300236373 /nfs/dbraw/zinc/23/63/73/300236373.db2.gz YFQSDNRHMQFEPK-SXLOBPIMSA-N 1 3 316.489 2.956 20 0 DFADHO CN1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000514614769 300262674 /nfs/dbraw/zinc/26/26/74/300262674.db2.gz JULHCAFRHFQNAS-UTJXIGIESA-N 1 3 309.404 2.570 20 0 DFADHO C[C@H](CC[NH2+]C[C@H](O)Cc1ccc(F)cc1)N1CCCCC1 ZINC000515054989 300287404 /nfs/dbraw/zinc/28/74/04/300287404.db2.gz DXCRPDNQMRMWTQ-CRAIPNDOSA-N 1 3 308.441 2.583 20 0 DFADHO C[C@@H](CNC[C@H](O)Cc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000516048460 300327562 /nfs/dbraw/zinc/32/75/62/300327562.db2.gz HGGBZWYKTYGQJK-WMLDXEAASA-N 1 3 310.869 2.565 20 0 DFADHO C[C@@H](C[NH2+]C[C@H](O)Cc1cccc(Cl)c1)CN1CCCC1 ZINC000516048460 300327565 /nfs/dbraw/zinc/32/75/65/300327565.db2.gz HGGBZWYKTYGQJK-WMLDXEAASA-N 1 3 310.869 2.565 20 0 DFADHO CNC[C@](C)(O)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000516975182 300374669 /nfs/dbraw/zinc/37/46/69/300374669.db2.gz QEFKBUDVIKXIQB-FQEVSTJZSA-N 1 3 312.457 2.990 20 0 DFADHO c1c(CN[C@@H]2CCc3ccccc3C2)onc1C1CC[NH2+]CC1 ZINC000521994222 300544448 /nfs/dbraw/zinc/54/44/48/300544448.db2.gz WPGBJSNZSCHUJV-QGZVFWFLSA-N 1 3 311.429 2.789 20 0 DFADHO C[C@]1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)COc2ccccc2O1 ZINC000530214259 301029383 /nfs/dbraw/zinc/02/93/83/301029383.db2.gz WLPDGJKZFVEREC-MKSNKDDYSA-N 1 3 316.445 2.727 20 0 DFADHO COc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1C ZINC000530248758 301034084 /nfs/dbraw/zinc/03/40/84/301034084.db2.gz OWSCWBZNAJXHQP-GOSISDBHSA-N 1 3 318.461 2.594 20 0 DFADHO CC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000531708172 301105198 /nfs/dbraw/zinc/10/51/98/301105198.db2.gz GBGNVRASSGDAIJ-IEBWSBKVSA-N 1 3 316.493 2.762 20 0 DFADHO CCCN1CC[C@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000531956377 301120989 /nfs/dbraw/zinc/12/09/89/301120989.db2.gz BSRHEINAQSEXEW-IYXRBSQSSA-N 1 3 308.388 2.544 20 0 DFADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532505372 301156823 /nfs/dbraw/zinc/15/68/23/301156823.db2.gz DFFGKRUMMWLPIW-KBPBESRZSA-N 1 3 301.434 2.564 20 0 DFADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532505372 301156825 /nfs/dbraw/zinc/15/68/25/301156825.db2.gz DFFGKRUMMWLPIW-KBPBESRZSA-N 1 3 301.434 2.564 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000532550477 301159258 /nfs/dbraw/zinc/15/92/58/301159258.db2.gz MQXBVHJROFLQRP-XYPHTWIQSA-N 1 3 309.885 2.873 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000532550477 301159259 /nfs/dbraw/zinc/15/92/59/301159259.db2.gz MQXBVHJROFLQRP-XYPHTWIQSA-N 1 3 309.885 2.873 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000532550477 301159260 /nfs/dbraw/zinc/15/92/60/301159260.db2.gz MQXBVHJROFLQRP-XYPHTWIQSA-N 1 3 309.885 2.873 20 0 DFADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532549630 301159585 /nfs/dbraw/zinc/15/95/85/301159585.db2.gz FURGPYFEGMCBCW-QPPOZKHWSA-N 1 3 308.388 2.685 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534977640 301240647 /nfs/dbraw/zinc/24/06/47/301240647.db2.gz XDDXBILNTRJZNF-INIZCTEOSA-N 1 3 308.853 2.764 20 0 DFADHO C[C@@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cscn1 ZINC000535065393 301246968 /nfs/dbraw/zinc/24/69/68/301246968.db2.gz PJPRSESUSYWHMR-OAHLLOKOSA-N 1 3 322.522 2.744 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1CCN(C)CC1)[C@@H](C)C2 ZINC000538709289 301328721 /nfs/dbraw/zinc/32/87/21/301328721.db2.gz CEZQELKIXZHRHK-FXAWDEMLSA-N 1 3 315.505 2.846 20 0 DFADHO CC[N@H+](CCC1CCN([C@H]2CCCN(C)C2=O)CC1)CC(C)C ZINC000540911442 301375117 /nfs/dbraw/zinc/37/51/17/301375117.db2.gz HONAAAGNABIMEG-SFHVURJKSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@@H+](CCC1CCN([C@H]2CCCN(C)C2=O)CC1)CC(C)C ZINC000540911442 301375120 /nfs/dbraw/zinc/37/51/20/301375120.db2.gz HONAAAGNABIMEG-SFHVURJKSA-N 1 3 323.525 2.687 20 0 DFADHO CC1(C)CC(NC[C@H](O)Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000556419913 301795824 /nfs/dbraw/zinc/79/58/24/301795824.db2.gz PZHXTDJRJFPKKG-MRXNPFEDSA-N 1 3 308.441 2.628 20 0 DFADHO COc1ccc(CCC[NH2+][C@H](C)[C@H]2CCCNC2)cc1OC ZINC000562747981 301998616 /nfs/dbraw/zinc/99/86/16/301998616.db2.gz DQSVQSRGVRJBIC-ZBFHGGJFSA-N 1 3 306.450 2.614 20 0 DFADHO CC(C)[C@H](NCc1n[nH]c(C2CC[NH2+]CC2)n1)c1ccccc1 ZINC000562981178 302020883 /nfs/dbraw/zinc/02/08/83/302020883.db2.gz ZAPOBNOYMFXKOJ-KRWDZBQOSA-N 1 3 313.449 2.759 20 0 DFADHO CC(C)[C@@H](NCc1n[nH]c(C2CC[NH2+]CC2)n1)c1ccccc1 ZINC000562981179 302020889 /nfs/dbraw/zinc/02/08/89/302020889.db2.gz ZAPOBNOYMFXKOJ-QGZVFWFLSA-N 1 3 313.449 2.759 20 0 DFADHO CCOC[C@H](O)CNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000562986638 302021414 /nfs/dbraw/zinc/02/14/14/302021414.db2.gz HORQDFGRAFOHSK-LJQANCHMSA-N 1 3 320.477 2.550 20 0 DFADHO CCCCOC[C@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000562992794 302022339 /nfs/dbraw/zinc/02/23/39/302022339.db2.gz YEAHHEXFIVWHPF-GOSISDBHSA-N 1 3 312.498 2.551 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1)C1CC1 ZINC000563961197 302112214 /nfs/dbraw/zinc/11/22/14/302112214.db2.gz ZBUNWFDHNQWQHT-UONOGXRCSA-N 1 3 303.450 2.527 20 0 DFADHO Cc1ccc(OC[C@H](O)C[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC000564077811 302117256 /nfs/dbraw/zinc/11/72/56/302117256.db2.gz WEWSYXODXGAVCB-QZTJIDSGSA-N 1 3 320.477 2.589 20 0 DFADHO Cc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC000564217410 302123872 /nfs/dbraw/zinc/12/38/72/302123872.db2.gz KSKYSTQNIGUFLL-UHFFFAOYSA-N 1 3 310.869 2.973 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@@H]1CCCNC1 ZINC000564823385 302161184 /nfs/dbraw/zinc/16/11/84/302161184.db2.gz PNDRAMXIOPEARS-SJLPKXTDSA-N 1 3 301.478 2.881 20 0 DFADHO CC(C)C[C@H](CNC(=O)C(C)(C)N)[NH2+][C@H](C)c1ccccc1 ZINC000565361405 302220648 /nfs/dbraw/zinc/22/06/48/302220648.db2.gz NIRBZSVEMCBXMH-GDBMZVCRSA-N 1 3 305.466 2.605 20 0 DFADHO CC[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000565491836 302227684 /nfs/dbraw/zinc/22/76/84/302227684.db2.gz RVHUEYMUXSVCFU-GBESFXJTSA-N 1 3 301.478 2.683 20 0 DFADHO CCO[C@@H]1C[C@H](NCC2([NH3+])CCCCCC2)C12CCOCC2 ZINC000565827639 302244006 /nfs/dbraw/zinc/24/40/06/302244006.db2.gz QZQCYTAFOUCEOT-JKSUJKDBSA-N 1 3 310.482 2.602 20 0 DFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)N(C)C)cc1 ZINC000566011856 302253274 /nfs/dbraw/zinc/25/32/74/302253274.db2.gz IIHPFVDHQWAFDK-ROUUACIJSA-N 1 3 317.477 2.500 20 0 DFADHO Cc1cc(C)n(-c2ccccc2CN[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000566056384 302256143 /nfs/dbraw/zinc/25/61/43/302256143.db2.gz XYNFBWZNALXXSI-IAGOWNOFSA-N 1 3 312.461 2.967 20 0 DFADHO N[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000566089240 302258493 /nfs/dbraw/zinc/25/84/93/302258493.db2.gz JDKWKPQNLBPMQL-WOJBJXKFSA-N 1 3 322.456 2.780 20 0 DFADHO [NH3+][C@@H]1C[C@@H](NC2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000566089240 302258494 /nfs/dbraw/zinc/25/84/94/302258494.db2.gz JDKWKPQNLBPMQL-WOJBJXKFSA-N 1 3 322.456 2.780 20 0 DFADHO C[C@H](NC[C@H](c1ccc(Cl)cc1)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000566089479 302258759 /nfs/dbraw/zinc/25/87/59/302258759.db2.gz BBSLXHBMROAYCR-YSVLISHTSA-N 1 3 309.885 2.920 20 0 DFADHO CN(C)Cc1ccc(NC(=O)C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000566172037 302265469 /nfs/dbraw/zinc/26/54/69/302265469.db2.gz WJQDOANZQXHHHX-KRWDZBQOSA-N 1 3 311.429 2.647 20 0 DFADHO c1cc2c(cc1CN1CCC([C@H]3CCCO3)CC1)C[NH2+]CC2 ZINC000566743212 302308682 /nfs/dbraw/zinc/30/86/82/302308682.db2.gz PAFKIDNBGRQRSG-LJQANCHMSA-N 1 3 300.446 2.723 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000566967960 302325952 /nfs/dbraw/zinc/32/59/52/302325952.db2.gz ZUYYMSHZKQSNPG-DOTOQJQBSA-N 1 3 324.428 2.551 20 0 DFADHO CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)C[C@@H]1CCCCC[NH2+]1)CC2 ZINC000567260342 302345585 /nfs/dbraw/zinc/34/55/85/302345585.db2.gz LLMVCTBTEBPYON-PMPSAXMXSA-N 1 3 319.497 2.617 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000567406962 302357051 /nfs/dbraw/zinc/35/70/51/302357051.db2.gz XUHPFOZTIJGWQM-ZHALLVOQSA-N 1 3 319.493 2.938 20 0 DFADHO COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000567646075 302375740 /nfs/dbraw/zinc/37/57/40/302375740.db2.gz SDGWKRRZBVZIQB-OAGGEKHMSA-N 1 3 306.450 2.688 20 0 DFADHO Cc1ncc2c(n1)CC[C@H](N[C@H](C)C[C@@H]1CCCCC[NH2+]1)C2 ZINC000567641212 302375809 /nfs/dbraw/zinc/37/58/09/302375809.db2.gz OQILYIHYFRBRIX-COXVUDFISA-N 1 3 302.466 2.543 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCc2cccc(COC3CCOCC3)c2)C1 ZINC000567915077 302398526 /nfs/dbraw/zinc/39/85/26/302398526.db2.gz GFZZWIQCDQGYKB-ROUUACIJSA-N 1 3 318.461 2.742 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000569330361 302512142 /nfs/dbraw/zinc/51/21/42/302512142.db2.gz SKLVECSFUZQBQR-GDIGMMSISA-N 1 3 311.429 2.591 20 0 DFADHO [NH3+]CCC1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000569815179 302539857 /nfs/dbraw/zinc/53/98/57/302539857.db2.gz PJNIQXMUEZFLEO-UHFFFAOYSA-N 1 3 305.441 2.987 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)NCc1ccc(C[NH3+])cc1 ZINC000571882659 302636525 /nfs/dbraw/zinc/63/65/25/302636525.db2.gz URZIXAXLHILLQQ-HNNXBMFYSA-N 1 3 311.429 2.677 20 0 DFADHO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ccc3c(c2)CNCC3)C1 ZINC000572295170 302653822 /nfs/dbraw/zinc/65/38/22/302653822.db2.gz XZUULPNGRQFJQA-QRWLVFNGSA-N 1 3 316.489 2.999 20 0 DFADHO Cn1cc(CN2CCC(CC[NH+](C)C)CC2)c(C(C)(C)C)n1 ZINC000179827052 316018860 /nfs/dbraw/zinc/01/88/60/316018860.db2.gz CODYZZCISKDOAC-UHFFFAOYSA-N 1 3 306.498 2.881 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000181616398 316064759 /nfs/dbraw/zinc/06/47/59/316064759.db2.gz WHIHQPXGKCRYKE-VVLHAWIVSA-N 1 3 312.498 2.669 20 0 DFADHO CC[C@H]1CCC[C@@H](C[NH+]2CCC(C(=O)NCCN(C)C)CC2)C1 ZINC000183021906 316127263 /nfs/dbraw/zinc/12/72/63/316127263.db2.gz XLDBMEDLNSYSQZ-DLBZAZTESA-N 1 3 323.525 2.593 20 0 DFADHO CC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CCCC1 ZINC000184947865 316177381 /nfs/dbraw/zinc/17/73/81/316177381.db2.gz POWNLPSXYMPEND-GOSISDBHSA-N 1 3 317.477 2.670 20 0 DFADHO CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CCCC1 ZINC000184947865 316177383 /nfs/dbraw/zinc/17/73/83/316177383.db2.gz POWNLPSXYMPEND-GOSISDBHSA-N 1 3 317.477 2.670 20 0 DFADHO CCC[C@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cccnc1 ZINC000185021594 316177962 /nfs/dbraw/zinc/17/79/62/316177962.db2.gz DQVDFLHABIABEK-WMZOPIPTSA-N 1 3 304.482 2.538 20 0 DFADHO COC[C@H](NCCC[N@H+](C)C1CCCCC1)C1CCOCC1 ZINC000187722229 316213152 /nfs/dbraw/zinc/21/31/52/316213152.db2.gz PDANEQIVQZVQCX-SFHVURJKSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@H](NCCC[N@@H+](C)C1CCCCC1)C1CCOCC1 ZINC000187722229 316213157 /nfs/dbraw/zinc/21/31/57/316213157.db2.gz PDANEQIVQZVQCX-SFHVURJKSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@H]([NH2+]CCCN(C)C1CCCCC1)C1CCOCC1 ZINC000187722229 316213162 /nfs/dbraw/zinc/21/31/62/316213162.db2.gz PDANEQIVQZVQCX-SFHVURJKSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@@H](C)C[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000187764246 316214287 /nfs/dbraw/zinc/21/42/87/316214287.db2.gz XUBNLCUXEPHMNJ-INIZCTEOSA-N 1 3 320.477 2.779 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(CN(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000317302892 316248329 /nfs/dbraw/zinc/24/83/29/316248329.db2.gz XDPQJORJCXWDOM-GOEBONIOSA-N 1 3 303.450 2.713 20 0 DFADHO [NH3+][C@H](CCC(=O)N1CC[C@@H](N2CCCCC2)C1)c1ccccc1 ZINC000321394263 316256696 /nfs/dbraw/zinc/25/66/96/316256696.db2.gz OZNVQGFJCWYIST-QZTJIDSGSA-N 1 3 315.461 2.553 20 0 DFADHO COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C)N(C)C ZINC000341884906 316310882 /nfs/dbraw/zinc/31/08/82/316310882.db2.gz ILFJPMSITMIPFP-ONIAQPFYSA-N 1 3 319.493 2.616 20 0 DFADHO CCOc1c(OC)cc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414813501 316665702 /nfs/dbraw/zinc/66/57/02/316665702.db2.gz YKHUSXFBSCDWJR-LSDHHAIUSA-N 1 3 322.449 2.710 20 0 DFADHO CC(C)N(CCN(C)C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446578710 317017125 /nfs/dbraw/zinc/01/71/25/317017125.db2.gz WAUJPFUMVHMVBX-UHFFFAOYSA-N 1 3 320.481 2.595 20 0 DFADHO COC1([C@H](C)NCCC[N@H+](C)C2CCCCC2)CCOCC1 ZINC000453075590 317159058 /nfs/dbraw/zinc/15/90/58/317159058.db2.gz PCNKLRWFXSCYQQ-INIZCTEOSA-N 1 3 312.498 2.815 20 0 DFADHO COC1([C@H](C)NCCC[N@@H+](C)C2CCCCC2)CCOCC1 ZINC000453075590 317159060 /nfs/dbraw/zinc/15/90/60/317159060.db2.gz PCNKLRWFXSCYQQ-INIZCTEOSA-N 1 3 312.498 2.815 20 0 DFADHO COC1([C@H](C)[NH2+]CCCN(C)C2CCCCC2)CCOCC1 ZINC000453075590 317159061 /nfs/dbraw/zinc/15/90/61/317159061.db2.gz PCNKLRWFXSCYQQ-INIZCTEOSA-N 1 3 312.498 2.815 20 0 DFADHO CCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453081186 317160702 /nfs/dbraw/zinc/16/07/02/317160702.db2.gz PKKJOVCVBUJUOF-VAMGGRTRSA-N 1 3 315.505 2.971 20 0 DFADHO CC[C@@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccncc1 ZINC000453101108 317161980 /nfs/dbraw/zinc/16/19/80/317161980.db2.gz YTUNXAZGLXTZDE-GOSISDBHSA-N 1 3 304.482 2.540 20 0 DFADHO COC1([C@@H](C)[NH2+]C[C@H]2CCCN(CC(C)C)C2)CCOCC1 ZINC000453167944 317167795 /nfs/dbraw/zinc/16/77/95/317167795.db2.gz JKCUYQTXOJNRTC-IAGOWNOFSA-N 1 3 312.498 2.528 20 0 DFADHO COC1([C@@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)CCOCC1 ZINC000453167944 317167800 /nfs/dbraw/zinc/16/78/00/317167800.db2.gz JKCUYQTXOJNRTC-IAGOWNOFSA-N 1 3 312.498 2.528 20 0 DFADHO COC1([C@@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CCOCC1 ZINC000453167944 317167804 /nfs/dbraw/zinc/16/78/04/317167804.db2.gz JKCUYQTXOJNRTC-IAGOWNOFSA-N 1 3 312.498 2.528 20 0 DFADHO COC1([C@@H](C)[NH2+]C[C@@H]2CCCN(CC(C)C)C2)CCOCC1 ZINC000453167946 317168069 /nfs/dbraw/zinc/16/80/69/317168069.db2.gz JKCUYQTXOJNRTC-SJORKVTESA-N 1 3 312.498 2.528 20 0 DFADHO COC1([C@@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CCOCC1 ZINC000453167946 317168071 /nfs/dbraw/zinc/16/80/71/317168071.db2.gz JKCUYQTXOJNRTC-SJORKVTESA-N 1 3 312.498 2.528 20 0 DFADHO COC1([C@@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CCOCC1 ZINC000453167946 317168073 /nfs/dbraw/zinc/16/80/73/317168073.db2.gz JKCUYQTXOJNRTC-SJORKVTESA-N 1 3 312.498 2.528 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459335906 317319958 /nfs/dbraw/zinc/31/99/58/317319958.db2.gz OYHGLYBMJUFQOW-ZDUSSCGKSA-N 1 3 304.425 2.589 20 0 DFADHO C[NH+](C)CCOC1CCN(CCc2cccc(Cl)c2)CC1 ZINC000459338516 317320900 /nfs/dbraw/zinc/32/09/00/317320900.db2.gz CBIATRZNRLCOLH-UHFFFAOYSA-N 1 3 310.869 2.925 20 0 DFADHO COc1ccccc1[C@@H](CNC1CC[NH+](C2CC2)CC1)N(C)C ZINC000459364842 317321654 /nfs/dbraw/zinc/32/16/54/317321654.db2.gz JPSURGXUSDILSU-GOSISDBHSA-N 1 3 317.477 2.514 20 0 DFADHO COCCSCCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000488278034 317380131 /nfs/dbraw/zinc/38/01/31/317380131.db2.gz IFHHJTYYPIMKAN-JKSUJKDBSA-N 1 3 314.539 2.999 20 0 DFADHO CCC[C@H](CN1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000491132404 317550947 /nfs/dbraw/zinc/55/09/47/317550947.db2.gz IQBMHOPQBXAJOC-RTBURBONSA-N 1 3 301.478 2.550 20 0 DFADHO ClC1(Cl)C[C@@H]1CCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240449 317777970 /nfs/dbraw/zinc/77/79/70/317777970.db2.gz LCMDYBIVBHVVHS-UONOGXRCSA-N 1 3 321.292 2.661 20 0 DFADHO Cc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1F ZINC000530241142 317777990 /nfs/dbraw/zinc/77/79/90/317777990.db2.gz IINYCJFOFNQKSG-KRWDZBQOSA-N 1 3 306.425 2.725 20 0 DFADHO COc1cccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1OC ZINC000570953596 317972725 /nfs/dbraw/zinc/97/27/25/317972725.db2.gz RVKGAYXXINOMLT-GVDBMIGSSA-N 1 3 318.461 2.757 20 0 DFADHO CCN1CCN(c2ccccc2N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000571657032 317988826 /nfs/dbraw/zinc/98/88/26/317988826.db2.gz IKTABDCVLRBGQP-JKSUJKDBSA-N 1 3 302.466 2.510 20 0 DFADHO Cc1ccc(C[C@H](CO)NC2CC[NH+](CC3CC3)CC2)cc1C ZINC000573417221 318018652 /nfs/dbraw/zinc/01/86/52/318018652.db2.gz DEYLBQFNVHVXCH-HXUWFJFHSA-N 1 3 316.489 2.671 20 0 DFADHO CSc1ccc(C[NH2+]CCCCN2CCN(C)CC2)s1 ZINC000575221081 318071067 /nfs/dbraw/zinc/07/10/67/318071067.db2.gz BLLMFSORPUNPGX-UHFFFAOYSA-N 1 3 313.536 2.587 20 0 DFADHO Cc1ccc(NC(=O)CCNC2CC(C)(C)[NH2+]C(C)(C)C2)nc1 ZINC000576220728 318111581 /nfs/dbraw/zinc/11/15/81/318111581.db2.gz IXBBRLZYOAYUHP-UHFFFAOYSA-N 1 3 318.465 2.617 20 0 DFADHO Cc1ccccc1OC[C@H](O)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000577276115 318182426 /nfs/dbraw/zinc/18/24/26/318182426.db2.gz RMCDFJAFRKZNFP-QZTJIDSGSA-N 1 3 320.477 2.589 20 0 DFADHO COc1cc2c(cc1CN1CCC3(CC[NH2+]C3)CC1)O[C@H](C)C2 ZINC000577730398 318213097 /nfs/dbraw/zinc/21/30/97/318213097.db2.gz PGINZZMIJFJNHF-CQSZACIVSA-N 1 3 316.445 2.594 20 0 DFADHO CC[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000577739726 318213882 /nfs/dbraw/zinc/21/38/82/318213882.db2.gz DJKWDVMFEDIZBK-IMFGXOCKSA-N 1 3 315.505 2.801 20 0 DFADHO CSCC1CCC([NH2+]CCCCN2CCN(C)CC2)CC1 ZINC000577816012 318218022 /nfs/dbraw/zinc/21/80/22/318218022.db2.gz LIVJDFRTTDAULI-UHFFFAOYSA-N 1 3 313.555 2.525 20 0 DFADHO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC(CC[NH3+])CC1 ZINC000578329719 318254062 /nfs/dbraw/zinc/25/40/62/318254062.db2.gz LJKIKCJPLHOZKM-JKSUJKDBSA-N 1 3 317.477 2.622 20 0 DFADHO COC[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000578637796 318274675 /nfs/dbraw/zinc/27/46/75/318274675.db2.gz ISNCIYCNNQUYBB-BQFCYCMXSA-N 1 3 304.434 2.503 20 0 DFADHO C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000578638328 318274870 /nfs/dbraw/zinc/27/48/70/318274870.db2.gz VOSPCZCRCCISKN-URKNILKWSA-N 1 3 316.445 2.887 20 0 DFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)[N@@H+]1CCCC[C@@H]1C ZINC000578728036 318280776 /nfs/dbraw/zinc/28/07/76/318280776.db2.gz WSTVETUAIOCIJS-KBPBESRZSA-N 1 3 316.449 2.674 20 0 DFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)[N@H+]1CCCC[C@@H]1C ZINC000578728036 318280778 /nfs/dbraw/zinc/28/07/78/318280778.db2.gz WSTVETUAIOCIJS-KBPBESRZSA-N 1 3 316.449 2.674 20 0 DFADHO COc1cc(C)ccc1[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000579071375 318304306 /nfs/dbraw/zinc/30/43/06/318304306.db2.gz BDXPFQNJVONOGK-INIZCTEOSA-N 1 3 319.493 2.680 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCCNC2)c(C)c1 ZINC000579928543 318363883 /nfs/dbraw/zinc/36/38/83/318363883.db2.gz LCWJRCBLUVYINN-HZPDHXFCSA-N 1 3 303.450 2.752 20 0 DFADHO C[C@@H]1CC[C@H](NCC2([NH3+])CCCCCC2)[C@@H](n2cncn2)C1 ZINC000579944620 318364893 /nfs/dbraw/zinc/36/48/93/318364893.db2.gz HXWPKXFEYQQXTQ-PMPSAXMXSA-N 1 3 305.470 2.649 20 0 DFADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000580065183 318372721 /nfs/dbraw/zinc/37/27/21/318372721.db2.gz NLLFVHSUHULVHP-DOTOQJQBSA-N 1 3 310.869 2.565 20 0 DFADHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000580065183 318372723 /nfs/dbraw/zinc/37/27/23/318372723.db2.gz NLLFVHSUHULVHP-DOTOQJQBSA-N 1 3 310.869 2.565 20 0 DFADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000580065183 318372725 /nfs/dbraw/zinc/37/27/25/318372725.db2.gz NLLFVHSUHULVHP-DOTOQJQBSA-N 1 3 310.869 2.565 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381753643 323295891 /nfs/dbraw/zinc/29/58/91/323295891.db2.gz CMKBTOMMRCJRCF-YSIASYRMSA-N 1 3 315.505 2.828 20 0 DFADHO C[C@@H]1CCN(CC[NH2+]C(C)(C)C)CCN1Cc1ccccc1 ZINC000382735029 323302359 /nfs/dbraw/zinc/30/23/59/323302359.db2.gz GWRFPXPVGILFCY-QGZVFWFLSA-N 1 3 303.494 2.971 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000382767250 323302774 /nfs/dbraw/zinc/30/27/74/323302774.db2.gz WUAKCCQSVFFONR-MSOLQXFVSA-N 1 3 301.478 2.582 20 0 DFADHO Clc1cc2c(c(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)c1)OCC2 ZINC000386831648 323321067 /nfs/dbraw/zinc/32/10/67/323321067.db2.gz RSVWGQIHWJYXIX-OKILXGFUSA-N 1 3 306.837 2.706 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(OCCN(C)C)c1 ZINC000387312453 323323728 /nfs/dbraw/zinc/32/37/28/323323728.db2.gz OJZMSXBRENSXGO-VKJFTORMSA-N 1 3 305.466 2.768 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(OCCN(C)C)c1 ZINC000387312453 323323729 /nfs/dbraw/zinc/32/37/29/323323729.db2.gz OJZMSXBRENSXGO-VKJFTORMSA-N 1 3 305.466 2.768 20 0 DFADHO COc1cc2c(cc1CNCC1(C)CC[NH+](C)CC1)O[C@H](C)C2 ZINC000391949640 323347435 /nfs/dbraw/zinc/34/74/35/323347435.db2.gz YOPGVCICIDUOAS-CQSZACIVSA-N 1 3 318.461 2.840 20 0 DFADHO C[N@H+](CCNC(=O)Nc1ccc2c(c1)CNC2)C1CCCCC1 ZINC000580419020 323382932 /nfs/dbraw/zinc/38/29/32/323382932.db2.gz OUTRCXKTINLXBW-UHFFFAOYSA-N 1 3 316.449 2.676 20 0 DFADHO C[N@@H+](CCNC(=O)Nc1ccc2c(c1)CNC2)C1CCCCC1 ZINC000580419020 323382937 /nfs/dbraw/zinc/38/29/37/323382937.db2.gz OUTRCXKTINLXBW-UHFFFAOYSA-N 1 3 316.449 2.676 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)CC(C)C)CC2)CC1 ZINC000580447344 323387102 /nfs/dbraw/zinc/38/71/02/323387102.db2.gz FKVVTIDVLWGBHD-MRXNPFEDSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000581825091 323574773 /nfs/dbraw/zinc/57/47/73/323574773.db2.gz YTHCTCFRDNUZOV-ZDUSSCGKSA-N 1 3 309.413 2.881 20 0 DFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000582481326 323679687 /nfs/dbraw/zinc/67/96/87/323679687.db2.gz ROOGETIIULKGEM-QAPCUYQASA-N 1 3 317.477 2.655 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NCc2ccc(C[NH3+])cc2)c1 ZINC000583145270 323804017 /nfs/dbraw/zinc/80/40/17/323804017.db2.gz FWHRIZXXFAYNHD-OAHLLOKOSA-N 1 3 311.429 2.961 20 0 DFADHO Cc1ncc(C[NH2+]CC2CCN(Cc3cccs3)CC2)n1C ZINC000584302749 332230996 /nfs/dbraw/zinc/23/09/96/332230996.db2.gz MTBKXWKUXBGSRA-UHFFFAOYSA-N 1 3 318.490 2.792 20 0 DFADHO C[C@H](NC(=O)C(C)(C)[C@@H](N)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000423446575 518182804 /nfs/dbraw/zinc/18/28/04/518182804.db2.gz SQMPREFWZIIZNO-HOCLYGCPSA-N 1 3 319.493 2.805 20 0 DFADHO CCOC(=O)CCC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000364995186 520637773 /nfs/dbraw/zinc/63/77/73/520637773.db2.gz NYCPKLCYYCPJLV-UHFFFAOYSA-N 1 3 319.449 2.573 20 0 DFADHO CCOC(=O)CCC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000364995186 520637780 /nfs/dbraw/zinc/63/77/80/520637780.db2.gz NYCPKLCYYCPJLV-UHFFFAOYSA-N 1 3 319.449 2.573 20 0 DFADHO CCCC[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000154559455 521203682 /nfs/dbraw/zinc/20/36/82/521203682.db2.gz WDFJOKQCQRVAPO-IRXDYDNUSA-N 1 3 309.498 2.619 20 0 DFADHO CCNC(=O)C1(CNC2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000368467040 521733442 /nfs/dbraw/zinc/73/34/42/521733442.db2.gz UMZQGDLKRUKNDQ-UHFFFAOYSA-N 1 3 321.509 2.680 20 0 DFADHO CCNC(=O)C1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000368467040 521733443 /nfs/dbraw/zinc/73/34/43/521733443.db2.gz UMZQGDLKRUKNDQ-UHFFFAOYSA-N 1 3 321.509 2.680 20 0 DFADHO CN(C)Cc1cccc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000156560758 521810693 /nfs/dbraw/zinc/81/06/93/521810693.db2.gz JLLWCCSCTGQAGL-KRWDZBQOSA-N 1 3 319.493 2.844 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000366352796 523848599 /nfs/dbraw/zinc/84/85/99/523848599.db2.gz GAILRDMKFTUKFN-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CC[C@H](CNC(=O)CC(C)(C)[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000366324708 523978980 /nfs/dbraw/zinc/97/89/80/523978980.db2.gz BAUJMTUHVAAOFL-CJNGLKHVSA-N 1 3 323.868 2.576 20 0 DFADHO CCN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000328297750 527885443 /nfs/dbraw/zinc/88/54/43/527885443.db2.gz WQVCEHPNWLUWGJ-IYWMVGAKSA-N 1 3 313.489 2.581 20 0 DFADHO CCN(CCC[NH+](CC)CC)C(=O)C[C@@H](N)c1ccccc1 ZINC000319157356 528102546 /nfs/dbraw/zinc/10/25/46/528102546.db2.gz HMGPBHZHFVKBAI-QGZVFWFLSA-N 1 3 305.466 2.657 20 0 DFADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCCCN2)c1 ZINC000315710225 528196830 /nfs/dbraw/zinc/19/68/30/528196830.db2.gz UBEZPZCEVIHYGV-KRWDZBQOSA-N 1 3 303.450 2.999 20 0 DFADHO CCCOc1cccc(CN2CCC(OCCC[NH3+])CC2)c1 ZINC000316364650 528752543 /nfs/dbraw/zinc/75/25/43/528752543.db2.gz AOZCRXHETJIVAV-UHFFFAOYSA-N 1 3 306.450 2.805 20 0 DFADHO CCCC[C@H](N)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309749463 528969083 /nfs/dbraw/zinc/96/90/83/528969083.db2.gz YZHMLDBARHFWCA-JQHSSLGASA-N 1 3 317.477 2.531 20 0 DFADHO CCCC[C@H](N)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309749463 528969088 /nfs/dbraw/zinc/96/90/88/528969088.db2.gz YZHMLDBARHFWCA-JQHSSLGASA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)(C[NH2+]C1CCN(c2nccs2)CC1)CN1CCCC1 ZINC000361442618 535146263 /nfs/dbraw/zinc/14/62/63/535146263.db2.gz KDAALOFYYPWJPU-UHFFFAOYSA-N 1 3 322.522 2.824 20 0 DFADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CN(C)C(C)C ZINC000354532694 535528354 /nfs/dbraw/zinc/52/83/54/535528354.db2.gz KNTMNSLAGNCXBB-UHFFFAOYSA-N 1 3 319.493 2.697 20 0 DFADHO CC[C@@H](C)N(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170915558 535548291 /nfs/dbraw/zinc/54/82/91/535548291.db2.gz PMPULUNCFLUGQH-MRXNPFEDSA-N 1 3 317.477 2.629 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000361710357 535654552 /nfs/dbraw/zinc/65/45/52/535654552.db2.gz IOMWJEKTQSGNFC-RDTXWAMCSA-N 1 3 315.461 2.545 20 0 DFADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1Br ZINC000261543289 536901840 /nfs/dbraw/zinc/90/18/40/536901840.db2.gz CTDYBSQEMCFOII-UTLUCORTSA-N 1 3 301.228 2.844 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H]1CCc2c1cc(F)cc2F ZINC000680469527 545500082 /nfs/dbraw/zinc/50/00/82/545500082.db2.gz QACZQJLQGLXBSY-QGZVFWFLSA-N 1 3 312.404 2.900 20 0 DFADHO CCC[NH+]1CCC(NCCc2cccc(OC)c2OC)CC1 ZINC000680874604 545555971 /nfs/dbraw/zinc/55/59/71/545555971.db2.gz CPLPGIWXNZLZPW-UHFFFAOYSA-N 1 3 306.450 2.710 20 0 DFADHO Cn1cc(CCC[N@H+](C)C(C)(C)CN2CCCCCC2)cn1 ZINC000681703792 545702585 /nfs/dbraw/zinc/70/25/85/545702585.db2.gz MIUBRUASDAIGNT-UHFFFAOYSA-N 1 3 306.498 2.939 20 0 DFADHO Cn1cc(CCC[N@@H+](C)C(C)(C)CN2CCCCCC2)cn1 ZINC000681703792 545702588 /nfs/dbraw/zinc/70/25/88/545702588.db2.gz MIUBRUASDAIGNT-UHFFFAOYSA-N 1 3 306.498 2.939 20 0 DFADHO C[C@@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)CCS1 ZINC000683164603 545982748 /nfs/dbraw/zinc/98/27/48/545982748.db2.gz LMGUFTQFCCKDGF-OAHLLOKOSA-N 1 3 308.491 2.954 20 0 DFADHO C[C@@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)CCS1 ZINC000683164603 545982754 /nfs/dbraw/zinc/98/27/54/545982754.db2.gz LMGUFTQFCCKDGF-OAHLLOKOSA-N 1 3 308.491 2.954 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000684112696 546153501 /nfs/dbraw/zinc/15/35/01/546153501.db2.gz XQIYPHKOZVVPLW-YYIAUSFCSA-N 1 3 302.466 2.663 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000684112696 546153504 /nfs/dbraw/zinc/15/35/04/546153504.db2.gz XQIYPHKOZVVPLW-YYIAUSFCSA-N 1 3 302.466 2.663 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000684112696 546153505 /nfs/dbraw/zinc/15/35/05/546153505.db2.gz XQIYPHKOZVVPLW-YYIAUSFCSA-N 1 3 302.466 2.663 20 0 DFADHO CO[C@H]1CCC[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)C1 ZINC000684375708 546204282 /nfs/dbraw/zinc/20/42/82/546204282.db2.gz AEBVRJODSGRCAZ-HKUYNNGSSA-N 1 3 320.477 2.717 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3cccnc32)C[C@H](C)O1 ZINC000684955324 546308086 /nfs/dbraw/zinc/30/80/86/546308086.db2.gz LCEOIKFROMBFFK-SOLBZPMBSA-N 1 3 317.477 2.938 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@H]2CCOc3ccccc32)C1 ZINC000685471117 546357832 /nfs/dbraw/zinc/35/78/32/546357832.db2.gz NCIFZMROXMLMNM-LZLYRXPVSA-N 1 3 300.446 2.969 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@H]2CCOc3ccccc32)C1 ZINC000685471117 546357835 /nfs/dbraw/zinc/35/78/35/546357835.db2.gz NCIFZMROXMLMNM-LZLYRXPVSA-N 1 3 300.446 2.969 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000278438153 214153156 /nfs/dbraw/zinc/15/31/56/214153156.db2.gz HJFHBUHGWARHAN-RVKKMQEKSA-N 1 3 306.450 2.703 20 0 DFADHO CCOc1ccc(CNC[C@@H](CC[NH+](C)C)OCC)cc1F ZINC000278571909 214245798 /nfs/dbraw/zinc/24/57/98/214245798.db2.gz XMQJZCWFYQGZSP-OAHLLOKOSA-N 1 3 312.429 2.671 20 0 DFADHO CCCCN1CCC([NH2+]Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000236767703 398364746 /nfs/dbraw/zinc/36/47/46/398364746.db2.gz CYUZDNRHLXWWIB-UHFFFAOYSA-N 1 3 315.465 2.631 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356872834 282194351 /nfs/dbraw/zinc/19/43/51/282194351.db2.gz PHSUAROHTOQYBS-LSDHHAIUSA-N 1 3 321.431 2.866 20 0 DFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CNC3CC3)cc2)C1 ZINC000237675752 398372639 /nfs/dbraw/zinc/37/26/39/398372639.db2.gz RWWHWXGGDQHONK-AWEZNQCLSA-N 1 3 301.434 2.609 20 0 DFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC3CC3)cc2)C1 ZINC000237675752 398372641 /nfs/dbraw/zinc/37/26/41/398372641.db2.gz RWWHWXGGDQHONK-AWEZNQCLSA-N 1 3 301.434 2.609 20 0 DFADHO [NH3+][C@@H](CCC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000237925737 398375799 /nfs/dbraw/zinc/37/57/99/398375799.db2.gz VAZSJSMJXFWJGT-SFHVURJKSA-N 1 3 315.461 2.553 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1nc2cc(F)ccc2n1C ZINC000090044111 185279613 /nfs/dbraw/zinc/27/96/13/185279613.db2.gz UQBVXXCGUDTLJH-UMVBOHGHSA-N 1 3 318.440 2.573 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1nc2cc(F)ccc2n1C ZINC000090044111 185279614 /nfs/dbraw/zinc/27/96/14/185279614.db2.gz UQBVXXCGUDTLJH-UMVBOHGHSA-N 1 3 318.440 2.573 20 0 DFADHO CCC[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028352 185278752 /nfs/dbraw/zinc/27/87/52/185278752.db2.gz WWICYPMTMBTJCJ-MRXNPFEDSA-N 1 3 317.477 2.790 20 0 DFADHO CC1CC[NH+](CCCCNCc2cnc(C3CC3)nc2)CC1 ZINC000459378309 299091581 /nfs/dbraw/zinc/09/15/81/299091581.db2.gz QPXKYDDKYBDUEJ-UHFFFAOYSA-N 1 3 302.466 2.956 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000262364156 282248866 /nfs/dbraw/zinc/24/88/66/282248866.db2.gz WRUDCBOIKNMEMT-INDMIFKZSA-N 1 3 301.478 2.800 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc3c[nH]nc32)C[C@H](C)O1 ZINC000084018223 398391988 /nfs/dbraw/zinc/39/19/88/398391988.db2.gz DOKDOSSPWWDSFO-GASCZTMLSA-N 1 3 316.449 2.542 20 0 DFADHO CC1CC[NH+](C[C@@H](O)CNC2CC(C)(c3ccccc3)C2)CC1 ZINC000459396561 299095876 /nfs/dbraw/zinc/09/58/76/299095876.db2.gz FQSKXTQLEFGFGD-GPJFCIFZSA-N 1 3 316.489 2.789 20 0 DFADHO CC1CC[NH+](C[C@H](O)CNC2CC(C)(c3ccccc3)C2)CC1 ZINC000459396563 299096235 /nfs/dbraw/zinc/09/62/35/299096235.db2.gz FQSKXTQLEFGFGD-IOJLRTSASA-N 1 3 316.489 2.789 20 0 DFADHO Cc1nc(CNC2CCN(c3cc[nH+]cc3)CC2)sc1C ZINC000459419622 299101559 /nfs/dbraw/zinc/10/15/59/299101559.db2.gz JWXJLAPZTXGOAU-UHFFFAOYSA-N 1 3 302.447 2.914 20 0 DFADHO COC(=O)c1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)oc1C ZINC000592433598 398425426 /nfs/dbraw/zinc/42/54/26/398425426.db2.gz LIQAUTJDVSTCGJ-HUUCEWRRSA-N 1 3 320.433 2.586 20 0 DFADHO C[NH+]1CCC(C)(CNCc2cccc3c2OCCCO3)CC1 ZINC000319057708 530048482 /nfs/dbraw/zinc/04/84/82/530048482.db2.gz KZKUYYOSNLRASH-UHFFFAOYSA-N 1 3 304.434 2.669 20 0 DFADHO C[N@@H+]1CCC[C@@]2(CCN(C[C@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043503 530059956 /nfs/dbraw/zinc/05/99/56/530059956.db2.gz SOTMEHQCTUPZNR-QZTJIDSGSA-N 1 3 322.880 2.661 20 0 DFADHO C[N@H+]1CCC[C@@]2(CCN(C[C@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043503 530059957 /nfs/dbraw/zinc/05/99/57/530059957.db2.gz SOTMEHQCTUPZNR-QZTJIDSGSA-N 1 3 322.880 2.661 20 0 DFADHO Fc1ccc2c(c1)[C@@H](NC1CCN(c3cc[nH+]cc3)CC1)CO2 ZINC000459474398 299115451 /nfs/dbraw/zinc/11/54/51/299115451.db2.gz DTNFUVOBCVEXGP-KRWDZBQOSA-N 1 3 313.376 2.913 20 0 DFADHO CCO[C@@H]1C[C@H](NCC2(C[NH+](C)C)CCCC2)[C@@H]1SC ZINC000459476267 299116149 /nfs/dbraw/zinc/11/61/49/299116149.db2.gz HKJYQMOWUPRFLG-ZNMIVQPWSA-N 1 3 300.512 2.607 20 0 DFADHO CCCN(CCN[C@@H]1CC[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000090811798 398492782 /nfs/dbraw/zinc/49/27/82/398492782.db2.gz WFLKPCIRMMRURK-LSDHHAIUSA-N 1 3 313.486 2.563 20 0 DFADHO CCCN(CCN[C@@H]1CC[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000090811798 398492785 /nfs/dbraw/zinc/49/27/85/398492785.db2.gz WFLKPCIRMMRURK-LSDHHAIUSA-N 1 3 313.486 2.563 20 0 DFADHO CN(C)Cc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000090919625 398497176 /nfs/dbraw/zinc/49/71/76/398497176.db2.gz MFCQEIDEISMXCV-IAGOWNOFSA-N 1 3 305.441 2.604 20 0 DFADHO CN(C)Cc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000090919625 398497178 /nfs/dbraw/zinc/49/71/78/398497178.db2.gz MFCQEIDEISMXCV-IAGOWNOFSA-N 1 3 305.441 2.604 20 0 DFADHO CN1CCN(CC[NH2+]Cc2ccc(C3CC3)cc2)CC1(C)C ZINC000459529438 299126946 /nfs/dbraw/zinc/12/69/46/299126946.db2.gz LZHKBCLLVQSTGT-UHFFFAOYSA-N 1 3 301.478 2.680 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cncc(C)c2)[C@H](C)C1 ZINC000181834293 199359130 /nfs/dbraw/zinc/35/91/30/199359130.db2.gz RZPKWAIMSBLXCG-SJLPKXTDSA-N 1 3 305.466 2.617 20 0 DFADHO C[C@@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCO[C@@H]1C1CC1 ZINC000459540941 299129232 /nfs/dbraw/zinc/12/92/32/299129232.db2.gz VSKJDHLSTZBGBS-MOPGFXCFSA-N 1 3 315.461 2.845 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)CC[NH2+]C(C)C)c1ccccc1 ZINC000314556000 398520167 /nfs/dbraw/zinc/52/01/67/398520167.db2.gz LJSAEZCANVTNHS-KRWDZBQOSA-N 1 3 305.466 2.574 20 0 DFADHO COCC1(CC[NH2+]C2CCN(c3ccncc3)CC2)CCC1 ZINC000459592292 299143329 /nfs/dbraw/zinc/14/33/29/299143329.db2.gz PJNTUZDDPXPGDL-UHFFFAOYSA-N 1 3 303.450 2.847 20 0 DFADHO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000414145496 295771828 /nfs/dbraw/zinc/77/18/28/295771828.db2.gz NYKPZGZICWBLIM-KYJSFNMBSA-N 1 3 306.450 2.845 20 0 DFADHO CC[NH+]1CCC(CN[C@@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000321108095 398551918 /nfs/dbraw/zinc/55/19/18/398551918.db2.gz JEVHHRJIZUDCQD-AWEZNQCLSA-N 1 3 315.465 2.729 20 0 DFADHO CN(C)Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000069178598 398555349 /nfs/dbraw/zinc/55/53/49/398555349.db2.gz UUDZNGRGWLAMMJ-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000323689594 398560904 /nfs/dbraw/zinc/56/09/04/398560904.db2.gz RFFWHRXCSQLCHE-GOSISDBHSA-N 1 3 323.525 2.863 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000323689594 398560907 /nfs/dbraw/zinc/56/09/07/398560907.db2.gz RFFWHRXCSQLCHE-GOSISDBHSA-N 1 3 323.525 2.863 20 0 DFADHO C[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)[C@@H](N)c1ccccc1 ZINC000236701377 201973134 /nfs/dbraw/zinc/97/31/34/201973134.db2.gz JNPQVFGYQCRZIA-FUHWJXTLSA-N 1 3 317.477 2.561 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000155750586 186109541 /nfs/dbraw/zinc/10/95/41/186109541.db2.gz QAUWXQXRHZCIEI-GUYCJALGSA-N 1 3 316.449 2.515 20 0 DFADHO CC(C)(C)[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000164083357 186148365 /nfs/dbraw/zinc/14/83/65/186148365.db2.gz RKSCOPMOZDZFDW-QGZVFWFLSA-N 1 3 317.477 2.662 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000590656962 398646674 /nfs/dbraw/zinc/64/66/74/398646674.db2.gz ABDQETPCNNTSLJ-SJORKVTESA-N 1 3 308.466 2.715 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000590656962 398646677 /nfs/dbraw/zinc/64/66/77/398646677.db2.gz ABDQETPCNNTSLJ-SJORKVTESA-N 1 3 308.466 2.715 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(OCCN(C)C)cc1 ZINC000188041265 186248323 /nfs/dbraw/zinc/24/83/23/186248323.db2.gz HTACPYMTRKDKFY-SUMDDJOVSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@H]1C[C@H](CN2CCN(Cc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414672331 295814067 /nfs/dbraw/zinc/81/40/67/295814067.db2.gz HFJDCJUUMUMWET-JKSUJKDBSA-N 1 3 321.896 2.846 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000268739295 186373482 /nfs/dbraw/zinc/37/34/82/186373482.db2.gz CQVKKUVMAMTAAL-VQIMIIECSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000268739295 186373484 /nfs/dbraw/zinc/37/34/84/186373484.db2.gz CQVKKUVMAMTAAL-VQIMIIECSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@H+]1CC[C@@H](NCc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000268739295 186373485 /nfs/dbraw/zinc/37/34/85/186373485.db2.gz CQVKKUVMAMTAAL-VQIMIIECSA-N 1 3 312.461 2.751 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000268746023 186376207 /nfs/dbraw/zinc/37/62/07/186376207.db2.gz ASPFXPKJBZQZGK-RLLQIKCJSA-N 1 3 315.505 2.828 20 0 DFADHO COc1ccc(C[C@H](C)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000414827429 295823091 /nfs/dbraw/zinc/82/30/91/295823091.db2.gz KSOZRLAHCKHRFH-NTQSIJHJSA-N 1 3 306.425 2.886 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414830113 295823222 /nfs/dbraw/zinc/82/32/22/295823222.db2.gz BUWILYFCCYKXQM-HUUCEWRRSA-N 1 3 305.466 2.972 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414838075 295824505 /nfs/dbraw/zinc/82/45/05/295824505.db2.gz KTFFURVBZYLWQE-DGCLKSJQSA-N 1 3 311.857 2.811 20 0 DFADHO CC[NH+]1CCC(CNCc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000378929424 398657879 /nfs/dbraw/zinc/65/78/79/398657879.db2.gz WRCXONTUJOKLRV-CQSZACIVSA-N 1 3 318.461 2.840 20 0 DFADHO COc1ccc(OC(F)F)c(CNCC[C@@H]2CCC[NH2+]C2)c1 ZINC000414851213 295826223 /nfs/dbraw/zinc/82/62/23/295826223.db2.gz NUAYVTZGJZRDCT-LBPRGKRZSA-N 1 3 314.376 2.776 20 0 DFADHO C[C@@H](O)C[NH+]1CCC(CN(C)c2ccnc3ccccc32)CC1 ZINC000171986680 198020929 /nfs/dbraw/zinc/02/09/29/198020929.db2.gz ABZVVXFNRJDYDI-OAHLLOKOSA-N 1 3 313.445 2.764 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414857136 295827253 /nfs/dbraw/zinc/82/72/53/295827253.db2.gz OYFITJZTHZDWGO-MGPQQGTHSA-N 1 3 307.413 2.521 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@H]2CCCNC2)cc1F ZINC000414860839 295827307 /nfs/dbraw/zinc/82/73/07/295827307.db2.gz VZSKIZJCXXDCHX-DZKIICNBSA-N 1 3 308.441 2.991 20 0 DFADHO COc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000414906948 295833250 /nfs/dbraw/zinc/83/32/50/295833250.db2.gz ABXNECBSJUTFJY-VXGBXAGGSA-N 1 3 313.239 2.817 20 0 DFADHO CCN(CC)CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000121197511 282803720 /nfs/dbraw/zinc/80/37/20/282803720.db2.gz YQNZBSNWHQXEOA-UHFFFAOYSA-N 1 3 313.486 2.707 20 0 DFADHO COc1ccc(CNC[C@@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1OC ZINC000414999796 295845961 /nfs/dbraw/zinc/84/59/61/295845961.db2.gz SMQFCXBZPDIOFN-DGCLKSJQSA-N 1 3 312.841 2.964 20 0 DFADHO CCOc1ccc(C[NH2+][C@@H]2CCN(CC)C[C@H]2C)cc1OC ZINC000173362978 198207670 /nfs/dbraw/zinc/20/76/70/198207670.db2.gz WPJMMBJIZJLZQT-GDBMZVCRSA-N 1 3 306.450 2.914 20 0 DFADHO Cc1cc(C)n2c(CN[C@@H](CCC[NH3+])c3ccccc3)cnc2n1 ZINC000415060288 295853094 /nfs/dbraw/zinc/85/30/94/295853094.db2.gz WERHHXPRLWRLMP-SFHVURJKSA-N 1 3 323.444 2.916 20 0 DFADHO COc1cccc(CN[C@@H](C)CCCC[NH3+])c1OC(F)F ZINC000415069803 295854353 /nfs/dbraw/zinc/85/43/53/295854353.db2.gz XOLDDBRKJHNRDR-NSHDSACASA-N 1 3 302.365 2.904 20 0 DFADHO c1ccc2c(c1)CCOC21CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000415092762 295857096 /nfs/dbraw/zinc/85/70/96/295857096.db2.gz BFVCTUVPJHKAPG-INIZCTEOSA-N 1 3 300.446 2.550 20 0 DFADHO Cc1cc(F)ccc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415117865 295860276 /nfs/dbraw/zinc/86/02/76/295860276.db2.gz CMBVRGAAEONMJG-QZTJIDSGSA-N 1 3 306.425 2.852 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1cn2ccccc2n1 ZINC000415122162 295861071 /nfs/dbraw/zinc/86/10/71/295861071.db2.gz ZYZQNOADOYENOQ-HZPDHXFCSA-N 1 3 300.450 2.777 20 0 DFADHO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000174411275 198331574 /nfs/dbraw/zinc/33/15/74/198331574.db2.gz RZLRLITVQLTMQL-YJBOKZPZSA-N 1 3 317.477 2.646 20 0 DFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000174869906 198395115 /nfs/dbraw/zinc/39/51/15/198395115.db2.gz SVHUXWJNUAGXCY-QGZVFWFLSA-N 1 3 318.465 2.696 20 0 DFADHO CCN(Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1)C1CC1 ZINC000131111483 283072028 /nfs/dbraw/zinc/07/20/28/283072028.db2.gz KTZAJUQARKQESA-GOSISDBHSA-N 1 3 315.461 2.624 20 0 DFADHO CCC[NH+]1CCC(CNC(=O)Nc2cccc(CNC)c2)CC1 ZINC000415922446 295902378 /nfs/dbraw/zinc/90/23/78/295902378.db2.gz UDQBCCAMTLBCTB-UHFFFAOYSA-N 1 3 318.465 2.650 20 0 DFADHO C[NH2+]Cc1ccc(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1 ZINC000415984161 295908561 /nfs/dbraw/zinc/90/85/61/295908561.db2.gz OXRYEVOEMWOFQQ-AWEZNQCLSA-N 1 3 318.465 2.600 20 0 DFADHO CC[NH+]1CCC(CCNC(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000236851610 202036854 /nfs/dbraw/zinc/03/68/54/202036854.db2.gz GRVMVOPYLPFSPE-YJBOKZPZSA-N 1 3 317.477 2.561 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000236884972 202050664 /nfs/dbraw/zinc/05/06/64/202050664.db2.gz DBQTYNSWFNEIHO-RCCFBDPRSA-N 1 3 317.477 2.703 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000236914062 202068536 /nfs/dbraw/zinc/06/85/36/202068536.db2.gz BCRGVLBXZQIKNC-VXLLPVPCSA-N 1 3 309.498 2.519 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C1(N)CCCCC1 ZINC000236906413 202063396 /nfs/dbraw/zinc/06/33/96/202063396.db2.gz ILQSHVITTHAPNQ-UHFFFAOYSA-N 1 3 317.477 2.806 20 0 DFADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)[C@]2(CC)CCC[NH2+]2)C1 ZINC000134601902 283193774 /nfs/dbraw/zinc/19/37/74/283193774.db2.gz VDCYCJBNDJONGZ-QAPCUYQASA-N 1 3 309.498 2.535 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000236961053 202095706 /nfs/dbraw/zinc/09/57/06/202095706.db2.gz BCRGVLBXZQIKNC-RDHHWEPZSA-N 1 3 309.498 2.519 20 0 DFADHO C[NH+](C)[C@@H](CNC(=O)C[C@@H](N)c1ccccc1)C1CCCCC1 ZINC000237138280 202163984 /nfs/dbraw/zinc/16/39/84/202163984.db2.gz QMPUFTRTQIHCBF-MSOLQXFVSA-N 1 3 317.477 2.703 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1OC ZINC000237221331 202193942 /nfs/dbraw/zinc/19/39/42/202193942.db2.gz HEHIXVXLSOCVCN-HZPDHXFCSA-N 1 3 320.477 2.956 20 0 DFADHO CCC[N@@H+](CC(=O)NC1CCN(CC)CC1)CC1CCCCC1 ZINC000050075932 398802861 /nfs/dbraw/zinc/80/28/61/398802861.db2.gz TWDKIIJDRFXGKP-UHFFFAOYSA-N 1 3 323.525 2.879 20 0 DFADHO CCC[N@H+](CC(=O)NC1CCN(CC)CC1)CC1CCCCC1 ZINC000050075932 398802864 /nfs/dbraw/zinc/80/28/64/398802864.db2.gz TWDKIIJDRFXGKP-UHFFFAOYSA-N 1 3 323.525 2.879 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC1)CCC2 ZINC000594491127 398808340 /nfs/dbraw/zinc/80/83/40/398808340.db2.gz WGORRDSAXNTLPW-GOSISDBHSA-N 1 3 316.445 2.926 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000151662524 283291627 /nfs/dbraw/zinc/29/16/27/283291627.db2.gz PPTSKYDESGRKPV-BZSNNMDCSA-N 1 3 323.525 2.686 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000151662524 283291629 /nfs/dbraw/zinc/29/16/29/283291629.db2.gz PPTSKYDESGRKPV-BZSNNMDCSA-N 1 3 323.525 2.686 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000594495903 398809324 /nfs/dbraw/zinc/80/93/24/398809324.db2.gz FEDMNVCEPMNQLW-RPVQJOFSSA-N 1 3 316.445 2.923 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000594495903 398809327 /nfs/dbraw/zinc/80/93/27/398809327.db2.gz FEDMNVCEPMNQLW-RPVQJOFSSA-N 1 3 316.445 2.923 20 0 DFADHO CC[C@@](C)(O)C[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180164578 199125458 /nfs/dbraw/zinc/12/54/58/199125458.db2.gz RTVHIXHQPCSCDJ-CADBVGFASA-N 1 3 302.462 2.648 20 0 DFADHO COc1cc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)ccc1F ZINC000152833566 283341511 /nfs/dbraw/zinc/34/15/11/283341511.db2.gz BIVSBBDISDJTJA-AWEZNQCLSA-N 1 3 323.456 2.511 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000152910143 283344777 /nfs/dbraw/zinc/34/47/77/283344777.db2.gz IXGYCONGNPNUTG-LSDHHAIUSA-N 1 3 323.456 2.511 20 0 DFADHO CC1CC[NH+](CCN2CCN(CC3CCCCC3)CC2)CC1 ZINC000153530746 283372806 /nfs/dbraw/zinc/37/28/06/283372806.db2.gz DGHVESNFRZQIFS-UHFFFAOYSA-N 1 3 307.526 2.916 20 0 DFADHO CC(C)(C)OC(=O)C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000594993075 398887999 /nfs/dbraw/zinc/88/79/99/398887999.db2.gz ADMVDZYHAVZFCB-LSDHHAIUSA-N 1 3 308.466 2.715 20 0 DFADHO CC(C)(C)OC(=O)C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000594993075 398888000 /nfs/dbraw/zinc/88/80/00/398888000.db2.gz ADMVDZYHAVZFCB-LSDHHAIUSA-N 1 3 308.466 2.715 20 0 DFADHO C[C@H]([NH2+]CCN1CC=CCC1)c1ccc(OCCN(C)C)cc1 ZINC000280983262 216002881 /nfs/dbraw/zinc/00/28/81/216002881.db2.gz MFCBJRRUMXQUOF-KRWDZBQOSA-N 1 3 317.477 2.540 20 0 DFADHO COC(=O)CC1CCC([NH2+]C[C@H]2CCCN(C(C)C)C2)CC1 ZINC000599025547 398909829 /nfs/dbraw/zinc/90/98/29/398909829.db2.gz BWHUYPWUIBBZTQ-AQFXKWCLSA-N 1 3 310.482 2.818 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000187766485 200154018 /nfs/dbraw/zinc/15/40/18/200154018.db2.gz QLPXVEYJBYTSER-QGZVFWFLSA-N 1 3 321.484 2.764 20 0 DFADHO CO[C@@H](C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000188109751 200195037 /nfs/dbraw/zinc/19/50/37/200195037.db2.gz NMUYFVYVFBWATI-DSLXNQLJSA-N 1 3 302.462 2.912 20 0 DFADHO C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)[C@@H](N)c1ccccc1 ZINC000237606380 202300931 /nfs/dbraw/zinc/30/09/31/202300931.db2.gz ZKEMTOPJHTYLHY-SJLPKXTDSA-N 1 3 317.477 2.705 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000237721098 202337764 /nfs/dbraw/zinc/33/77/64/202337764.db2.gz QBZKOFXVRADQBS-FUHWJXTLSA-N 1 3 317.477 2.705 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000237721098 202337768 /nfs/dbraw/zinc/33/77/68/202337768.db2.gz QBZKOFXVRADQBS-FUHWJXTLSA-N 1 3 317.477 2.705 20 0 DFADHO CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(C)CC2)cc1 ZINC000188368929 200234729 /nfs/dbraw/zinc/23/47/29/200234729.db2.gz CZLYGWKVKJSXCF-UHFFFAOYSA-N 1 3 303.450 2.809 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000237928601 202395534 /nfs/dbraw/zinc/39/55/34/202395534.db2.gz YDEWEEMXVIVVLG-ZWKOTPCHSA-N 1 3 315.461 2.530 20 0 DFADHO NC1(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000237906743 202385935 /nfs/dbraw/zinc/38/59/35/202385935.db2.gz UWZMTZDGAXZHGA-UHFFFAOYSA-N 1 3 307.482 2.561 20 0 DFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CC2(N(C)C)CC2)CC1 ZINC000417357761 296013421 /nfs/dbraw/zinc/01/34/21/296013421.db2.gz SBBPOZPKWYCTJY-QGZVFWFLSA-N 1 3 315.505 2.766 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCC2(N(C)C)CC2)CC1 ZINC000417357761 296013423 /nfs/dbraw/zinc/01/34/23/296013423.db2.gz SBBPOZPKWYCTJY-QGZVFWFLSA-N 1 3 315.505 2.766 20 0 DFADHO CN(C)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000417353032 296013207 /nfs/dbraw/zinc/01/32/07/296013207.db2.gz HUFLRYCNFIYIJO-YQQQUEKLSA-N 1 3 313.489 2.866 20 0 DFADHO CN(C)C1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000417353032 296013208 /nfs/dbraw/zinc/01/32/08/296013208.db2.gz HUFLRYCNFIYIJO-YQQQUEKLSA-N 1 3 313.489 2.866 20 0 DFADHO CN(C)C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000417353032 296013209 /nfs/dbraw/zinc/01/32/09/296013209.db2.gz HUFLRYCNFIYIJO-YQQQUEKLSA-N 1 3 313.489 2.866 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC3(CCCC3)CC2)CC1 ZINC000158419460 398957832 /nfs/dbraw/zinc/95/78/32/398957832.db2.gz UWITUJIOGAOZSC-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000604885261 398979924 /nfs/dbraw/zinc/97/99/24/398979924.db2.gz UPGNNULJAPXHAW-IEBWSBKVSA-N 1 3 301.478 2.502 20 0 DFADHO C[C@H](CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000604885261 398979927 /nfs/dbraw/zinc/97/99/27/398979927.db2.gz UPGNNULJAPXHAW-IEBWSBKVSA-N 1 3 301.478 2.502 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271842423 209259817 /nfs/dbraw/zinc/25/98/17/209259817.db2.gz KYTFZELGQJTTQA-IBGZPJMESA-N 1 3 319.468 2.894 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418283103 296083776 /nfs/dbraw/zinc/08/37/76/296083776.db2.gz JBSROGOFTKNTGF-UHFFFAOYSA-N 1 3 324.513 2.556 20 0 DFADHO CC(=O)N1CC[C@H]([NH2+]CCCN2CCCCC2)c2ccccc21 ZINC000621748517 399064124 /nfs/dbraw/zinc/06/41/24/399064124.db2.gz HTWWAIPKWPCUCP-SFHVURJKSA-N 1 3 315.461 2.950 20 0 DFADHO Cc1nc(C)c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)s1 ZINC000172339289 399075334 /nfs/dbraw/zinc/07/53/34/399075334.db2.gz INPYVHYGKOAREY-CHWSQXEVSA-N 1 3 311.495 2.739 20 0 DFADHO CN(C)Cc1cccc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000479420385 299376551 /nfs/dbraw/zinc/37/65/51/299376551.db2.gz XTBAGXLHKXGCIR-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO CN(C)Cc1cccc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000479420385 299376554 /nfs/dbraw/zinc/37/65/54/299376554.db2.gz XTBAGXLHKXGCIR-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271752989 209182287 /nfs/dbraw/zinc/18/22/87/209182287.db2.gz HZLQAXSDNPMHQR-LJQANCHMSA-N 1 3 319.468 2.892 20 0 DFADHO CCC[C@](C)(N)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545207 203074792 /nfs/dbraw/zinc/07/47/92/203074792.db2.gz JQMSQMHRUDDNDJ-AYBZRNKSSA-N 1 3 317.477 2.531 20 0 DFADHO CCC[C@](C)(N)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261545207 203074795 /nfs/dbraw/zinc/07/47/95/203074795.db2.gz JQMSQMHRUDDNDJ-AYBZRNKSSA-N 1 3 317.477 2.531 20 0 DFADHO C[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H](N)c1ccccc1 ZINC000261648432 203087129 /nfs/dbraw/zinc/08/71/29/203087129.db2.gz FBTFPIIGFFUSEY-NVXWUHKLSA-N 1 3 317.477 2.703 20 0 DFADHO CCN(CC)[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000261713346 203099470 /nfs/dbraw/zinc/09/94/70/203099470.db2.gz LGSKEMJQGFQKIH-FUHWJXTLSA-N 1 3 317.477 2.575 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CN(C)CC1CC[NH+](C)CC1 ZINC000093088701 193202035 /nfs/dbraw/zinc/20/20/35/193202035.db2.gz ZIJIJCUXEFJSOT-UHFFFAOYSA-N 1 3 312.461 2.954 20 0 DFADHO CCC[C@](C)(N)C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000261969743 203163283 /nfs/dbraw/zinc/16/32/83/203163283.db2.gz PWMYPBGHPCGBTJ-WMZOPIPTSA-N 1 3 305.466 2.703 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000262326393 203262308 /nfs/dbraw/zinc/26/23/08/203262308.db2.gz XAQSUBNKXCIKRP-RBSFLKMASA-N 1 3 321.490 2.519 20 0 DFADHO CC[C@H](C)NC(=O)CCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340196436 284158579 /nfs/dbraw/zinc/15/85/79/284158579.db2.gz HOJANYLGAIHULG-JQHSSLGASA-N 1 3 317.477 2.716 20 0 DFADHO CC[C@H](C)NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340196436 284158581 /nfs/dbraw/zinc/15/85/81/284158581.db2.gz HOJANYLGAIHULG-JQHSSLGASA-N 1 3 317.477 2.716 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340200974 284160287 /nfs/dbraw/zinc/16/02/87/284160287.db2.gz HGAHRNKVXYBBRJ-GJZGRUSLSA-N 1 3 316.367 2.990 20 0 DFADHO C[N@H+]1CC[C@H](NCCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340200974 284160290 /nfs/dbraw/zinc/16/02/90/284160290.db2.gz HGAHRNKVXYBBRJ-GJZGRUSLSA-N 1 3 316.367 2.990 20 0 DFADHO O=C(C[NH2+]CC1CC1)Nc1cccc(CN2CCCCC2)c1 ZINC000262676252 203377136 /nfs/dbraw/zinc/37/71/36/203377136.db2.gz UEYCAVQDHDNGGV-UHFFFAOYSA-N 1 3 301.434 2.611 20 0 DFADHO CCC[C@@](C)([NH3+])C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000262693941 203384343 /nfs/dbraw/zinc/38/43/43/203384343.db2.gz BWIXRGUSNNCBMJ-QGZVFWFLSA-N 1 3 323.506 2.594 20 0 DFADHO CCC[C@](C)([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000262717036 203392235 /nfs/dbraw/zinc/39/22/35/203392235.db2.gz VZBLHMPUNXJVHF-MJGOQNOKSA-N 1 3 317.477 2.766 20 0 DFADHO O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CCCN1C1CCCC1 ZINC000419922356 296151720 /nfs/dbraw/zinc/15/17/20/296151720.db2.gz OUVGQUHYBMNFEM-GOSISDBHSA-N 1 3 321.509 2.822 20 0 DFADHO CCOc1cc2nccc(N3CC[NH2+][C@@H](C)C3)c2cc1OCC ZINC000420202527 296161909 /nfs/dbraw/zinc/16/19/09/296161909.db2.gz NUHRZGYCBBZXQM-ZDUSSCGKSA-N 1 3 315.417 2.830 20 0 DFADHO CCOc1cc2nccc(N[C@H](C)CC[NH3+])c2cc1OCC ZINC000420225505 296163584 /nfs/dbraw/zinc/16/35/84/296163584.db2.gz JCYPGKWZPQMVFU-GFCCVEGCSA-N 1 3 303.406 2.603 20 0 DFADHO CC(C)Oc1ccc2nccc(N3CCCO[C@H](C[NH3+])C3)c2c1 ZINC000420271705 296167989 /nfs/dbraw/zinc/16/79/89/296167989.db2.gz BSQJFRAJGHPROD-OAHLLOKOSA-N 1 3 315.417 2.576 20 0 DFADHO CCOc1cc2nccc(N3C[C@H]([NH3+])[C@@H](C)C3)c2cc1OCC ZINC000420283920 296169066 /nfs/dbraw/zinc/16/90/66/296169066.db2.gz UDBPAPRKGFKWQY-JSGCOSHPSA-N 1 3 315.417 2.816 20 0 DFADHO CCCN(CC[C@H]1CC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000420293837 296170649 /nfs/dbraw/zinc/17/06/49/296170649.db2.gz ANYBLMDCZVIABX-HZPDHXFCSA-N 1 3 303.450 2.725 20 0 DFADHO Cc1cccc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420296452 296170918 /nfs/dbraw/zinc/17/09/18/296170918.db2.gz DPSKMQPHFJCCAB-GOSISDBHSA-N 1 3 301.478 2.502 20 0 DFADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420311809 296173285 /nfs/dbraw/zinc/17/32/85/296173285.db2.gz HVZMQWSEXHCGCF-OAHLLOKOSA-N 1 3 309.841 2.872 20 0 DFADHO COc1cccc(CN(CC[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420328527 296176117 /nfs/dbraw/zinc/17/61/17/296176117.db2.gz ZUPCVOOWLVVSPU-LPHOPBHVSA-N 1 3 318.461 2.676 20 0 DFADHO Cc1ccccc1NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331190 296176355 /nfs/dbraw/zinc/17/63/55/296176355.db2.gz BSXLTWQZAAZNQR-ULQDDVLXSA-N 1 3 315.461 2.644 20 0 DFADHO Cc1ccc(NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000420339555 296177371 /nfs/dbraw/zinc/17/73/71/296177371.db2.gz LZTGAHCPSZEALV-SJORKVTESA-N 1 3 315.461 2.563 20 0 DFADHO OC1CC[NH+](CCCN[C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271732097 209165061 /nfs/dbraw/zinc/16/50/61/209165061.db2.gz CJIORXNBICEYGO-GOSISDBHSA-N 1 3 306.425 2.713 20 0 DFADHO CC[C@H](Cc1ccccc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282502220 217044067 /nfs/dbraw/zinc/04/40/67/217044067.db2.gz YHDHGOSRGBTZEG-GOSISDBHSA-N 1 3 303.494 2.623 20 0 DFADHO CN1CCN(CC[NH2+]Cc2cc(Cl)cs2)CC1(C)C ZINC000282530412 217066917 /nfs/dbraw/zinc/06/69/17/217066917.db2.gz ZAHHBHBEYIPERJ-UHFFFAOYSA-N 1 3 301.887 2.517 20 0 DFADHO c1ccc(CC[C@H]2CN(CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364343 296180343 /nfs/dbraw/zinc/18/03/43/296180343.db2.gz QOIBFQRMLLSCBE-OALUTQOASA-N 1 3 302.462 2.710 20 0 DFADHO CSc1ccccc1NC(=O)CCN[C@H]1CC[NH2+]CC1(C)C ZINC000420364598 296180420 /nfs/dbraw/zinc/18/04/20/296180420.db2.gz PIBMGYXPFAGUHX-HNNXBMFYSA-N 1 3 321.490 2.715 20 0 DFADHO CSc1ccccc1NC(=O)CC[NH2+][C@H]1CCNCC1(C)C ZINC000420364598 296180421 /nfs/dbraw/zinc/18/04/21/296180421.db2.gz PIBMGYXPFAGUHX-HNNXBMFYSA-N 1 3 321.490 2.715 20 0 DFADHO c1ccc(CCOCCCN2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420376404 296182751 /nfs/dbraw/zinc/18/27/51/296182751.db2.gz OYOAMDVITJIKBS-LJQANCHMSA-N 1 3 302.462 2.711 20 0 DFADHO [NH3+]C[C@H](NCCC(=O)NCC1CCCCC1)C1CCCCC1 ZINC000420381150 296183517 /nfs/dbraw/zinc/18/35/17/296183517.db2.gz YXEHUIAZSGVMKY-KRWDZBQOSA-N 1 3 309.498 2.570 20 0 DFADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420383275 296184014 /nfs/dbraw/zinc/18/40/14/296184014.db2.gz FNYDQPVJAIDGAZ-BVBHFADKSA-N 1 3 324.509 2.800 20 0 DFADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(F)cc1 ZINC000420393068 296185207 /nfs/dbraw/zinc/18/52/07/296185207.db2.gz JJRMWYQEOGONRH-WMLDXEAASA-N 1 3 319.424 2.618 20 0 DFADHO Cc1ccc(CN(C)C[C@@H]2CC[N@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282764866 217235194 /nfs/dbraw/zinc/23/51/94/217235194.db2.gz ITKJHGSEYVIIPZ-MRXNPFEDSA-N 1 3 312.461 2.779 20 0 DFADHO Cc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282764866 217235195 /nfs/dbraw/zinc/23/51/95/217235195.db2.gz ITKJHGSEYVIIPZ-MRXNPFEDSA-N 1 3 312.461 2.779 20 0 DFADHO CC(C)N1CCC([N@H+](C)Cc2ccc3c(c2)ncn3C)CC1 ZINC000342681699 284387774 /nfs/dbraw/zinc/38/77/74/284387774.db2.gz URYQLFAIUVUDIU-UHFFFAOYSA-N 1 3 300.450 2.878 20 0 DFADHO CC(C)N1CCC([N@@H+](C)Cc2ccc3c(c2)ncn3C)CC1 ZINC000342681699 284387776 /nfs/dbraw/zinc/38/77/76/284387776.db2.gz URYQLFAIUVUDIU-UHFFFAOYSA-N 1 3 300.450 2.878 20 0 DFADHO CCCCOc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000342727733 284395618 /nfs/dbraw/zinc/39/56/18/284395618.db2.gz IAHGFIPXXQAUCQ-AEFFLSMTSA-N 1 3 320.477 2.973 20 0 DFADHO O=C1CCCN1CCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000064141521 399217963 /nfs/dbraw/zinc/21/79/63/399217963.db2.gz MALNWCGJETWRIP-UHFFFAOYSA-N 1 3 321.509 2.587 20 0 DFADHO CC(C)[NH+](CCN(C)C(=O)c1ccccc1CN(C)C)C(C)C ZINC000487176973 299448729 /nfs/dbraw/zinc/44/87/29/299448729.db2.gz ZNQYHIZOPYWVGR-UHFFFAOYSA-N 1 3 319.493 2.939 20 0 DFADHO CCCN1C[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CC1=O ZINC000421345302 296246133 /nfs/dbraw/zinc/24/61/33/296246133.db2.gz AJUHRYHBVRYWDX-INIZCTEOSA-N 1 3 321.509 2.632 20 0 DFADHO CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1(C)C ZINC000421346483 296246347 /nfs/dbraw/zinc/24/63/47/296246347.db2.gz YXRFCNWNAMPKMC-RRQGHBQHSA-N 1 3 303.450 2.700 20 0 DFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2(CC(N)=O)CC2)CC1 ZINC000421353661 296247034 /nfs/dbraw/zinc/24/70/34/296247034.db2.gz UCHOLIBWLMNLLU-UHFFFAOYSA-N 1 3 323.525 2.911 20 0 DFADHO C[NH+](C)C1CCC(NCc2cnc([C@H]3CCCO3)s2)CC1 ZINC000421376932 296250385 /nfs/dbraw/zinc/25/03/85/296250385.db2.gz SAMPXPJWSQDVJN-SSDMNJCBSA-N 1 3 309.479 2.957 20 0 DFADHO COCC[C@@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284401355 218012889 /nfs/dbraw/zinc/01/28/89/218012889.db2.gz MZXCGYDPAVMFHE-OAHLLOKOSA-N 1 3 306.450 2.674 20 0 DFADHO CC1(C)CC[C@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000284560491 218078985 /nfs/dbraw/zinc/07/89/85/218078985.db2.gz YGXRCASFFPYNIJ-GOSISDBHSA-N 1 3 302.462 2.922 20 0 DFADHO CC[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)N(CC)CC ZINC000345806218 284755255 /nfs/dbraw/zinc/75/52/55/284755255.db2.gz QJADPDHGXQCTLE-KRWDZBQOSA-N 1 3 309.498 2.584 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCNCC(C)(C)C2)C[C@@H]1C ZINC000601974817 399372243 /nfs/dbraw/zinc/37/22/43/399372243.db2.gz VVBQIMMIFRZMOB-CAOSSQGBSA-N 1 3 310.482 2.722 20 0 DFADHO C[C@H]1Cc2ccccc2N1CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623380515 399376128 /nfs/dbraw/zinc/37/61/28/399376128.db2.gz BSQSXXFCBSCQEH-RDJZCZTQSA-N 1 3 301.478 2.900 20 0 DFADHO C[C@H]1Cc2ccccc2N1CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623380515 399376131 /nfs/dbraw/zinc/37/61/31/399376131.db2.gz BSQSXXFCBSCQEH-RDJZCZTQSA-N 1 3 301.478 2.900 20 0 DFADHO Cn1c(CCN[C@H]2CC[N@H+](C)C(C)(C)C2)nc2c1cccc2F ZINC000623419005 399385081 /nfs/dbraw/zinc/38/50/81/399385081.db2.gz OSSIVKVPBCLKBS-ZDUSSCGKSA-N 1 3 318.440 2.717 20 0 DFADHO Cn1c(CCN[C@H]2CC[N@@H+](C)C(C)(C)C2)nc2c1cccc2F ZINC000623419005 399385085 /nfs/dbraw/zinc/38/50/85/399385085.db2.gz OSSIVKVPBCLKBS-ZDUSSCGKSA-N 1 3 318.440 2.717 20 0 DFADHO CC[C@@H]([NH2+]CC[C@H](N)Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000602018356 399385249 /nfs/dbraw/zinc/38/52/49/399385249.db2.gz AOAXATATUWUHAG-DLBZAZTESA-N 1 3 318.461 2.658 20 0 DFADHO CC[C@@H](NCC[C@H]([NH3+])Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000602018356 399385254 /nfs/dbraw/zinc/38/52/54/399385254.db2.gz AOAXATATUWUHAG-DLBZAZTESA-N 1 3 318.461 2.658 20 0 DFADHO CCC[NH+]1CCC(N(C)CCC(=O)NCC2CCCCC2)CC1 ZINC000109788262 194285111 /nfs/dbraw/zinc/28/51/11/194285111.db2.gz LDWILNFEVHWRNJ-UHFFFAOYSA-N 1 3 323.525 2.879 20 0 DFADHO Clc1cccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000051919403 183842305 /nfs/dbraw/zinc/84/23/05/183842305.db2.gz YXOMPQQYWPLDPK-OAHLLOKOSA-N 1 3 307.869 2.852 20 0 DFADHO C[C@@H]1C[C@H](C)[N@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1CN ZINC000422560991 296312559 /nfs/dbraw/zinc/31/25/59/296312559.db2.gz IIFVOGOPFNIHRP-RVKKMQEKSA-N 1 3 302.462 2.859 20 0 DFADHO C[C@@H]1C[C@H](C)[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1CN ZINC000422560991 296312560 /nfs/dbraw/zinc/31/25/60/296312560.db2.gz IIFVOGOPFNIHRP-RVKKMQEKSA-N 1 3 302.462 2.859 20 0 DFADHO C[C@@H]1C[C@H](C)N(CCCc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000422560991 296312562 /nfs/dbraw/zinc/31/25/62/296312562.db2.gz IIFVOGOPFNIHRP-RVKKMQEKSA-N 1 3 302.462 2.859 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cncs1 ZINC000268842163 207007794 /nfs/dbraw/zinc/00/77/94/207007794.db2.gz CYOJZDRBMUFDSL-AWEZNQCLSA-N 1 3 319.474 2.977 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475524 399397274 /nfs/dbraw/zinc/39/72/74/399397274.db2.gz PZAZQMUGPCOEAE-FGTMMUONSA-N 1 3 301.478 2.894 20 0 DFADHO CN1CC[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475524 399397278 /nfs/dbraw/zinc/39/72/78/399397278.db2.gz PZAZQMUGPCOEAE-FGTMMUONSA-N 1 3 301.478 2.894 20 0 DFADHO CN1CC[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475524 399397279 /nfs/dbraw/zinc/39/72/79/399397279.db2.gz PZAZQMUGPCOEAE-FGTMMUONSA-N 1 3 301.478 2.894 20 0 DFADHO CC(C)[C@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)N(C)C ZINC000110870591 194364956 /nfs/dbraw/zinc/36/49/56/194364956.db2.gz UXVSANAESXFMQP-GOSISDBHSA-N 1 3 319.493 2.729 20 0 DFADHO CC(C)[C@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)N(C)C ZINC000110870591 194364958 /nfs/dbraw/zinc/36/49/58/194364958.db2.gz UXVSANAESXFMQP-GOSISDBHSA-N 1 3 319.493 2.729 20 0 DFADHO Cn1c2ccccc2nc1CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000268901178 207069137 /nfs/dbraw/zinc/06/91/37/207069137.db2.gz UNBKSCSTAHHRMH-NVXWUHKLSA-N 1 3 312.461 2.532 20 0 DFADHO Cn1c2ccccc2nc1CCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000268901178 207069141 /nfs/dbraw/zinc/06/91/41/207069141.db2.gz UNBKSCSTAHHRMH-NVXWUHKLSA-N 1 3 312.461 2.532 20 0 DFADHO Cn1c2ccccc2nc1CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000268901178 207069144 /nfs/dbraw/zinc/06/91/44/207069144.db2.gz UNBKSCSTAHHRMH-NVXWUHKLSA-N 1 3 312.461 2.532 20 0 DFADHO Cn1c2ccccc2nc1CC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000268901178 207069147 /nfs/dbraw/zinc/06/91/47/207069147.db2.gz UNBKSCSTAHHRMH-NVXWUHKLSA-N 1 3 312.461 2.532 20 0 DFADHO C[C@@H]1C[C@H](C)N(CCc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000422640728 296317604 /nfs/dbraw/zinc/31/76/04/296317604.db2.gz VYFOFEABDOABET-YCPHGPKFSA-N 1 3 314.433 2.584 20 0 DFADHO C[C@@H]1C[C@@H](C)N(CCc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000422640725 296317691 /nfs/dbraw/zinc/31/76/91/296317691.db2.gz VYFOFEABDOABET-FMKPAKJESA-N 1 3 314.433 2.584 20 0 DFADHO C[C@@H](NCCOCC1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000268923282 207088910 /nfs/dbraw/zinc/08/89/10/207088910.db2.gz PIYVEBQYHOKUTF-OAHLLOKOSA-N 1 3 306.450 2.704 20 0 DFADHO COc1ccccc1[C@H](CN[C@H]1CCC[C@@H]1[NH3+])N1CCCCC1 ZINC000422704993 296319041 /nfs/dbraw/zinc/31/90/41/296319041.db2.gz BCJZGUXWJQHVFI-BZSNNMDCSA-N 1 3 317.477 2.692 20 0 DFADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCC[C@@H]1N)N1CCCCC1 ZINC000422704993 296319043 /nfs/dbraw/zinc/31/90/43/296319043.db2.gz BCJZGUXWJQHVFI-BZSNNMDCSA-N 1 3 317.477 2.692 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422700494 296318513 /nfs/dbraw/zinc/31/85/13/296318513.db2.gz CAVIFFBWVHRCNF-HNAYVOBHSA-N 1 3 319.468 2.768 20 0 DFADHO C[C@H](NCCOCC1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000268923280 207088542 /nfs/dbraw/zinc/08/85/42/207088542.db2.gz PIYVEBQYHOKUTF-HNNXBMFYSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCC(C)(C)N1CCc2ccccc2C1 ZINC000422704178 296318871 /nfs/dbraw/zinc/31/88/71/296318871.db2.gz OTGDEBSMJCJVLF-LPHOPBHVSA-N 1 3 315.505 2.801 20 0 DFADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(N2CCSCC2)CCCCC1 ZINC000422713169 296320110 /nfs/dbraw/zinc/32/01/10/296320110.db2.gz PIRXSIUNOWVFGB-SJPCQFCGSA-N 1 3 323.550 2.611 20 0 DFADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(CC[NH+](C)C)CC1 ZINC000056523661 184015333 /nfs/dbraw/zinc/01/53/33/184015333.db2.gz LEMKIBDDNSSTKE-IXDOHACOSA-N 1 3 323.525 2.828 20 0 DFADHO C[NH+](C)CCC1CCN(Cc2cccc3nsnc32)CC1 ZINC000268940957 207104619 /nfs/dbraw/zinc/10/46/19/207104619.db2.gz SVTBNJSJANDKSX-UHFFFAOYSA-N 1 3 304.463 2.855 20 0 DFADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422709778 296319769 /nfs/dbraw/zinc/31/97/69/296319769.db2.gz FBGBEHRQFQJEBT-XGXHKWSGSA-N 1 3 302.462 2.927 20 0 DFADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422717957 296321073 /nfs/dbraw/zinc/32/10/73/296321073.db2.gz KXEOOUDECDEVKI-ZIAGYGMSSA-N 1 3 324.350 2.861 20 0 DFADHO COCCOCc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623528782 399409148 /nfs/dbraw/zinc/40/91/48/399409148.db2.gz DFNZDCWNYRGUBY-GOSISDBHSA-N 1 3 320.477 2.812 20 0 DFADHO CN(C)C[C@H](Cc1ccccc1)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422719953 296321242 /nfs/dbraw/zinc/32/12/42/296321242.db2.gz RSBONDJPZRHGDJ-PWIZWCRZSA-N 1 3 309.457 2.894 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422725447 296322159 /nfs/dbraw/zinc/32/21/59/296322159.db2.gz YAQJEVBSMVYGNP-CRAIPNDOSA-N 1 3 305.441 2.507 20 0 DFADHO CN1CC[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575127 399419736 /nfs/dbraw/zinc/41/97/36/399419736.db2.gz LWIMYICMMWPZKO-ROUUACIJSA-N 1 3 301.478 2.723 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575127 399419737 /nfs/dbraw/zinc/41/97/37/399419737.db2.gz LWIMYICMMWPZKO-ROUUACIJSA-N 1 3 301.478 2.723 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575127 399419739 /nfs/dbraw/zinc/41/97/39/399419739.db2.gz LWIMYICMMWPZKO-ROUUACIJSA-N 1 3 301.478 2.723 20 0 DFADHO CC[C@@H]1CCCCN1CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000422730995 296323169 /nfs/dbraw/zinc/32/31/69/296323169.db2.gz MXXBNXJJFNQNRV-UHOSZYNNSA-N 1 3 303.494 2.799 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000269003505 207158742 /nfs/dbraw/zinc/15/87/42/207158742.db2.gz PWOALCGTZUHLDT-MSOLQXFVSA-N 1 3 302.462 2.759 20 0 DFADHO CN1CCCC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000623657005 399437335 /nfs/dbraw/zinc/43/73/35/399437335.db2.gz HPDLHYBJGGKQIA-CQSZACIVSA-N 1 3 321.431 2.725 20 0 DFADHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000269051879 207200605 /nfs/dbraw/zinc/20/06/05/207200605.db2.gz VZRBLLOUSRINTB-HOTGVXAUSA-N 1 3 300.450 2.922 20 0 DFADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000063195094 184277944 /nfs/dbraw/zinc/27/79/44/184277944.db2.gz DAQLWBOAZSDVJU-IUODEOHRSA-N 1 3 309.841 2.870 20 0 DFADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000063195094 184277945 /nfs/dbraw/zinc/27/79/45/184277945.db2.gz DAQLWBOAZSDVJU-IUODEOHRSA-N 1 3 309.841 2.870 20 0 DFADHO COC(=O)c1cc(CNCCCC[NH+]2CCC(C)CC2)[nH]c1C ZINC000602513141 399464558 /nfs/dbraw/zinc/46/45/58/399464558.db2.gz DEIDANRCCBKSES-UHFFFAOYSA-N 1 3 321.465 2.711 20 0 DFADHO COC(=O)c1[nH]c(CNCCCCC[NH+]2CCCCC2)cc1C ZINC000602537992 399471015 /nfs/dbraw/zinc/47/10/15/399471015.db2.gz SLGZBQJGZWWPGH-UHFFFAOYSA-N 1 3 321.465 2.856 20 0 DFADHO C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H](C)C1CNC1 ZINC000422739529 296324391 /nfs/dbraw/zinc/32/43/91/296324391.db2.gz LQSLUGSIGNJKPT-RYUDHWBXSA-N 1 3 311.267 2.968 20 0 DFADHO C[C@@H](CCc1ccc(Br)cc1)N[C@@H](C)C1C[NH2+]C1 ZINC000422739529 296324393 /nfs/dbraw/zinc/32/43/93/296324393.db2.gz LQSLUGSIGNJKPT-RYUDHWBXSA-N 1 3 311.267 2.968 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422736022 296323808 /nfs/dbraw/zinc/32/38/08/296323808.db2.gz VNBJDOIEVJVQJX-CYBMUJFWSA-N 1 3 311.429 2.677 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1c(Cl)cccc1Cl ZINC000422738500 296324143 /nfs/dbraw/zinc/32/41/43/296324143.db2.gz JMJJPTRFXHNUOD-NVBFEUDRSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000422738500 296324144 /nfs/dbraw/zinc/32/41/44/296324144.db2.gz JMJJPTRFXHNUOD-NVBFEUDRSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1ccccc1C(F)(F)F ZINC000422743578 296324872 /nfs/dbraw/zinc/32/48/72/296324872.db2.gz UHEOUOOEGBUNQF-LNSITVRQSA-N 1 3 316.367 2.590 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000422743578 296324873 /nfs/dbraw/zinc/32/48/73/296324873.db2.gz UHEOUOOEGBUNQF-LNSITVRQSA-N 1 3 316.367 2.590 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000422743266 296324890 /nfs/dbraw/zinc/32/48/90/296324890.db2.gz RFESQBVCXDLTJO-ZBFHGGJFSA-N 1 3 304.482 2.620 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000422743266 296324891 /nfs/dbraw/zinc/32/48/91/296324891.db2.gz RFESQBVCXDLTJO-ZBFHGGJFSA-N 1 3 304.482 2.620 20 0 DFADHO OCc1cccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422743151 296324986 /nfs/dbraw/zinc/32/49/86/296324986.db2.gz QZAFIRPKIVHYQR-UYAOXDASSA-N 1 3 324.424 2.524 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000422743264 296324823 /nfs/dbraw/zinc/32/48/23/296324823.db2.gz RFESQBVCXDLTJO-GOEBONIOSA-N 1 3 304.482 2.620 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000422743264 296324824 /nfs/dbraw/zinc/32/48/24/296324824.db2.gz RFESQBVCXDLTJO-GOEBONIOSA-N 1 3 304.482 2.620 20 0 DFADHO COc1ccccc1[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])N(C)C ZINC000422748948 296325725 /nfs/dbraw/zinc/32/57/25/296325725.db2.gz WVPDYAWEPAGHFO-BBWFWOEESA-N 1 3 305.466 2.548 20 0 DFADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1N)N(C)C ZINC000422748948 296325726 /nfs/dbraw/zinc/32/57/26/296325726.db2.gz WVPDYAWEPAGHFO-BBWFWOEESA-N 1 3 305.466 2.548 20 0 DFADHO C[C@@H](c1ccccc1)N1CCC([NH2+][C@H]2CNCC[C@H]2C)CC1 ZINC000422748406 296325808 /nfs/dbraw/zinc/32/58/08/296325808.db2.gz UJVCILPAADEIDI-GJYPPUQNSA-N 1 3 301.478 2.800 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cccc(-n2ccnc2)c1 ZINC000422747321 296325868 /nfs/dbraw/zinc/32/58/68/296325868.db2.gz PURSBJQIYBYLNM-OXJNMPFZSA-N 1 3 320.440 2.920 20 0 DFADHO CCOc1ccc(CC[NH2+][C@H]2CCC[C@@H]2CN)cc1OCC ZINC000422751857 296326435 /nfs/dbraw/zinc/32/64/35/296326435.db2.gz DDKUBMIDYOIRDI-CVEARBPZSA-N 1 3 306.450 2.744 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000422751883 296326448 /nfs/dbraw/zinc/32/64/48/296326448.db2.gz DEPQUAGYJBMVEF-DZFGPLHGSA-N 1 3 323.484 2.809 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000422751883 296326449 /nfs/dbraw/zinc/32/64/49/296326449.db2.gz DEPQUAGYJBMVEF-DZFGPLHGSA-N 1 3 323.484 2.809 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(C(F)(F)F)c1 ZINC000422751768 296326453 /nfs/dbraw/zinc/32/64/53/296326453.db2.gz CWRLEDOUXGMOSO-ZLKJLUDKSA-N 1 3 302.340 2.547 20 0 DFADHO Fc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)cc1 ZINC000422753468 296327100 /nfs/dbraw/zinc/32/71/00/296327100.db2.gz DUESQQKXZOQHFV-JWTNVVGKSA-N 1 3 318.436 2.747 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000422758715 296327961 /nfs/dbraw/zinc/32/79/61/296327961.db2.gz OFMBHUBWGKWIEW-IFXJQAMLSA-N 1 3 312.461 2.802 20 0 DFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCN(C)Cc1ccccc1 ZINC000422759292 296327993 /nfs/dbraw/zinc/32/79/93/296327993.db2.gz LBDCOSFQLFFQBU-XLIONFOSSA-N 1 3 311.473 2.667 20 0 DFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCN(C)Cc1ccccc1 ZINC000422759292 296327995 /nfs/dbraw/zinc/32/79/95/296327995.db2.gz LBDCOSFQLFFQBU-XLIONFOSSA-N 1 3 311.473 2.667 20 0 DFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCN(C)Cc1ccccc1 ZINC000422759293 296328106 /nfs/dbraw/zinc/32/81/06/296328106.db2.gz LBDCOSFQLFFQBU-YLJYHZDGSA-N 1 3 311.473 2.667 20 0 DFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCN(C)Cc1ccccc1 ZINC000422759293 296328107 /nfs/dbraw/zinc/32/81/07/296328107.db2.gz LBDCOSFQLFFQBU-YLJYHZDGSA-N 1 3 311.473 2.667 20 0 DFADHO Fc1cccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422756359 296327776 /nfs/dbraw/zinc/32/77/76/296327776.db2.gz CFMVPGHHNNOVSY-FGTMMUONSA-N 1 3 318.436 2.604 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000422762995 296328714 /nfs/dbraw/zinc/32/87/14/296328714.db2.gz OHWHDMSXRZNWAE-HZPDHXFCSA-N 1 3 308.853 2.858 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2cccc(Cl)c2)CC1 ZINC000422767946 296329646 /nfs/dbraw/zinc/32/96/46/296329646.db2.gz NJNFYQCBJAEGCP-MAZHCROVSA-N 1 3 308.853 2.714 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422767946 296329648 /nfs/dbraw/zinc/32/96/48/296329648.db2.gz NJNFYQCBJAEGCP-MAZHCROVSA-N 1 3 308.853 2.714 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2cccc(Cl)c2)CC1 ZINC000422767949 296329762 /nfs/dbraw/zinc/32/97/62/296329762.db2.gz NJNFYQCBJAEGCP-VBNZEHGJSA-N 1 3 308.853 2.714 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422767949 296329763 /nfs/dbraw/zinc/32/97/63/296329763.db2.gz NJNFYQCBJAEGCP-VBNZEHGJSA-N 1 3 308.853 2.714 20 0 DFADHO COc1ccc([C@H](CN[C@H](C)C[C@@H](C)[NH3+])N2CCCCC2)cc1 ZINC000422769178 296329957 /nfs/dbraw/zinc/32/99/57/296329957.db2.gz UTEZNCGNAQIHTL-MDZRGWNJSA-N 1 3 319.493 2.938 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422771173 296330244 /nfs/dbraw/zinc/33/02/44/296330244.db2.gz XVKSFUCUXDTFRT-MAUKXSAKSA-N 1 3 320.452 2.981 20 0 DFADHO Cc1cccc([C@H](C)CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422775950 296331030 /nfs/dbraw/zinc/33/10/30/296331030.db2.gz CRDPAYRBILRJCE-NXWXRZEISA-N 1 3 302.462 2.845 20 0 DFADHO Cc1nccn1CCCC[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000422778057 296331548 /nfs/dbraw/zinc/33/15/48/296331548.db2.gz HBFHYIMVCAUUAN-MAUKXSAKSA-N 1 3 300.450 2.520 20 0 DFADHO Cc1nc2ccccc2n1CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422782651 296332066 /nfs/dbraw/zinc/33/20/66/296332066.db2.gz JWMPTAYWXVIJNA-KXBFYZLASA-N 1 3 322.456 2.893 20 0 DFADHO CCCN1CCC([NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000422784261 296332158 /nfs/dbraw/zinc/33/21/58/296332158.db2.gz NVNOVFSUUGCGEB-RTBURBONSA-N 1 3 301.478 2.944 20 0 DFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Cc1cccs1 ZINC000422786608 296332666 /nfs/dbraw/zinc/33/26/66/296332666.db2.gz SVFAQBVHWNPXSJ-QSPRXWTASA-N 1 3 308.491 2.673 20 0 DFADHO Cc1cc(C)cc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422788664 296332869 /nfs/dbraw/zinc/33/28/69/296332869.db2.gz SODMTKKYBNUUAY-GUDVDZBRSA-N 1 3 302.462 2.593 20 0 DFADHO C[C@H](C[NH2+]C1CCNCC1)Oc1cccc(Br)c1 ZINC000422794836 296334037 /nfs/dbraw/zinc/33/40/37/296334037.db2.gz GZBOCAVBHYSTDQ-LLVKDONJSA-N 1 3 313.239 2.558 20 0 DFADHO CC[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422801470 296335557 /nfs/dbraw/zinc/33/55/57/296335557.db2.gz BZKJSABIYSSHRS-SNRMKQJTSA-N 1 3 301.478 2.553 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000422802449 296335600 /nfs/dbraw/zinc/33/56/00/296335600.db2.gz BMMASVNHRUGLEM-MGYRSQIZSA-N 1 3 308.388 2.697 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000422797252 296334807 /nfs/dbraw/zinc/33/48/07/296334807.db2.gz LRWOZHABEDEBOU-LEWSCRJBSA-N 1 3 302.340 2.547 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422796879 296334937 /nfs/dbraw/zinc/33/49/37/296334937.db2.gz ZIJRRAMNBQAOLT-DQEVTTJGSA-N 1 3 318.461 2.973 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000422797250 296334949 /nfs/dbraw/zinc/33/49/49/296334949.db2.gz LRWOZHABEDEBOU-BPNCWPANSA-N 1 3 302.340 2.547 20 0 DFADHO C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])Oc1ccc(Br)cc1 ZINC000422799062 296335232 /nfs/dbraw/zinc/33/52/32/296335232.db2.gz UWQSNWRPIZLXOX-SDDRHHMPSA-N 1 3 315.255 2.932 20 0 DFADHO CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000422803039 296335762 /nfs/dbraw/zinc/33/57/62/296335762.db2.gz CHUSYAMAMOCCSV-ROUUACIJSA-N 1 3 317.477 2.918 20 0 DFADHO c1ccc2c(c1)CCC[C@@H]2CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422805326 296336182 /nfs/dbraw/zinc/33/61/82/296336182.db2.gz LXFWBFZBUQAWRI-RSPOEFSDSA-N 1 3 314.473 2.853 20 0 DFADHO CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])ccc2NC1=O ZINC000422809908 296336930 /nfs/dbraw/zinc/33/69/30/296336930.db2.gz MOZKBMOMFHAXNO-YXMPFFBPSA-N 1 3 305.422 2.573 20 0 DFADHO c1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422810835 296337266 /nfs/dbraw/zinc/33/72/66/296337266.db2.gz NYUBISKKGAKSIC-IPMKNSEASA-N 1 3 314.473 2.855 20 0 DFADHO c1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422810833 296337332 /nfs/dbraw/zinc/33/73/32/296337332.db2.gz NYUBISKKGAKSIC-GBESFXJTSA-N 1 3 314.473 2.855 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCc2ccccc2C1)[C@H]1CCCCN1 ZINC000422807021 296336641 /nfs/dbraw/zinc/33/66/41/296336641.db2.gz LOXRJYYPRCDPFI-VQTJNVASSA-N 1 3 315.505 2.945 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1c(OC)ccc2ccccc21 ZINC000422812910 296337676 /nfs/dbraw/zinc/33/76/76/296337676.db2.gz YIOCIDJQOFBMQP-OAHLLOKOSA-N 1 3 302.418 2.692 20 0 DFADHO C[C@@H](NCCCN1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422812181 296337561 /nfs/dbraw/zinc/33/75/61/296337561.db2.gz VSYUQLPWHNCURF-VQIMIIECSA-N 1 3 301.478 2.555 20 0 DFADHO CN(CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422820164 296339097 /nfs/dbraw/zinc/33/90/97/296339097.db2.gz PFMMJFHKKDCCBV-QRVBRYPASA-N 1 3 319.468 2.768 20 0 DFADHO C[C@H]1CCNC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422818247 296338642 /nfs/dbraw/zinc/33/86/42/296338642.db2.gz FTUSUQBPTZIDRC-SWLSCSKDSA-N 1 3 316.367 2.853 20 0 DFADHO C[NH2+]CC1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000346997180 284998693 /nfs/dbraw/zinc/99/86/93/284998693.db2.gz CLODFSPYVRREJG-UHFFFAOYSA-N 1 3 302.340 2.859 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(COCC(F)(F)F)cc1 ZINC000422826656 296339938 /nfs/dbraw/zinc/33/99/38/296339938.db2.gz RGHGLWHZVVWDTG-LSDHHAIUSA-N 1 3 316.367 2.983 20 0 DFADHO Cc1ccc([C@@H](CN[C@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000422830980 296341069 /nfs/dbraw/zinc/34/10/69/296341069.db2.gz RUXCUCLJTHGZJJ-RBUKOAKNSA-N 1 3 301.478 2.864 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000422830961 296341189 /nfs/dbraw/zinc/34/11/89/296341189.db2.gz JDBUACWKZDWAHX-INDMIFKZSA-N 1 3 317.477 2.568 20 0 DFADHO C[C@H](C[NH2+]C1CCNCC1)Oc1ccccc1Br ZINC000422827909 296340357 /nfs/dbraw/zinc/34/03/57/296340357.db2.gz AEZWPNPWIPCGLS-LLVKDONJSA-N 1 3 313.239 2.558 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000422832337 296341369 /nfs/dbraw/zinc/34/13/69/296341369.db2.gz FTHJYGKKRCPXSP-KRWDZBQOSA-N 1 3 301.434 2.569 20 0 DFADHO C[C@H](NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CCC[NH2+]1 ZINC000422834951 296341707 /nfs/dbraw/zinc/34/17/07/296341707.db2.gz HZWQVDBPUJQBGD-YQQAZPJKSA-N 1 3 307.507 2.690 20 0 DFADHO CCN(CC)[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000422836471 296342097 /nfs/dbraw/zinc/34/20/97/296342097.db2.gz RFHRPANSTWBTTD-WDSOQIARSA-N 1 3 303.494 2.527 20 0 DFADHO N[C@H]1CCCCC[C@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422844088 296343503 /nfs/dbraw/zinc/34/35/03/296343503.db2.gz KTUPTJDIHXDOAR-JKSUJKDBSA-N 1 3 311.539 2.598 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422844562 296343773 /nfs/dbraw/zinc/34/37/73/296343773.db2.gz MEZLTBWFJXTNST-ZIAGYGMSSA-N 1 3 312.417 2.549 20 0 DFADHO COc1ccccc1N1CC[C@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422853309 296345407 /nfs/dbraw/zinc/34/54/07/296345407.db2.gz RXRSKQPKNHGYEB-GVDBMIGSSA-N 1 3 317.477 2.642 20 0 DFADHO Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CCC[C@@H]3CN)cc2)n1 ZINC000422856554 296345689 /nfs/dbraw/zinc/34/56/89/296345689.db2.gz GHEOGYNTDNLANH-MJGOQNOKSA-N 1 3 312.461 2.749 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422865349 296347050 /nfs/dbraw/zinc/34/70/50/296347050.db2.gz XWFDGJIHGAYOFO-IUODEOHRSA-N 1 3 309.841 2.694 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422865349 296347051 /nfs/dbraw/zinc/34/70/51/296347051.db2.gz XWFDGJIHGAYOFO-IUODEOHRSA-N 1 3 309.841 2.694 20 0 DFADHO c1cn(-c2ccccc2)nc1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422857597 296345936 /nfs/dbraw/zinc/34/59/36/296345936.db2.gz HBQFJBSWUTVFKI-VAMGGRTRSA-N 1 3 324.472 2.925 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422871236 296347991 /nfs/dbraw/zinc/34/79/91/296347991.db2.gz YLQLBTPOQZUZPL-IOASZLSFSA-N 1 3 309.404 2.521 20 0 DFADHO COCc1cccc(OCC2(C[N@@H+]3C[C@@H](N)C[C@@H]3C)CCC2)c1 ZINC000631860928 399511351 /nfs/dbraw/zinc/51/13/51/399511351.db2.gz ROSKPQRGWIAEBU-RDJZCZTQSA-N 1 3 318.461 2.804 20 0 DFADHO COCc1cccc(OCC2(C[N@H+]3C[C@@H](N)C[C@@H]3C)CCC2)c1 ZINC000631860928 399511354 /nfs/dbraw/zinc/51/13/54/399511354.db2.gz ROSKPQRGWIAEBU-RDJZCZTQSA-N 1 3 318.461 2.804 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])N2CCCC2)o1 ZINC000422876985 296348936 /nfs/dbraw/zinc/34/89/36/296348936.db2.gz HCUIVISAZFEWIJ-BBWFWOEESA-N 1 3 305.466 2.832 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCN1[C@H](C)CCC[C@@H]1C ZINC000422883130 296350034 /nfs/dbraw/zinc/35/00/34/296350034.db2.gz BQTDQQDTRLNGIA-MJQMVNBJSA-N 1 3 303.494 2.797 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422880392 296349393 /nfs/dbraw/zinc/34/93/93/296349393.db2.gz OAHAKSDVKYKBOX-JCGIZDLHSA-N 1 3 320.452 2.979 20 0 DFADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2CN)cc1OC(F)F ZINC000422884870 296350608 /nfs/dbraw/zinc/35/06/08/296350608.db2.gz XUKKXGWELZQTIF-QWHCGFSZSA-N 1 3 314.376 2.556 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(N2CCCCCC2)nc1 ZINC000422888208 296351014 /nfs/dbraw/zinc/35/10/14/296351014.db2.gz CCWLAKLLQNCIDW-IAGOWNOFSA-N 1 3 302.466 2.679 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC)C2)[C@H](C)C1 ZINC000119646290 195008770 /nfs/dbraw/zinc/00/87/70/195008770.db2.gz CZBAVRJXOMXGON-ZACQAIPSSA-N 1 3 317.477 2.594 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC)C2)[C@H](C)C1 ZINC000119646290 195008772 /nfs/dbraw/zinc/00/87/72/195008772.db2.gz CZBAVRJXOMXGON-ZACQAIPSSA-N 1 3 317.477 2.594 20 0 DFADHO C[C@H]([NH3+])c1ccc(CNC(=O)c2ccccc2CN(C)C)cc1 ZINC000422885049 296350656 /nfs/dbraw/zinc/35/06/56/296350656.db2.gz GHQUSSBQMLQGCQ-AWEZNQCLSA-N 1 3 311.429 2.698 20 0 DFADHO COc1ccc(C)cc1C1(CN[C@H](C)C[C@@H](C)[NH3+])CCOCC1 ZINC000422901883 296353104 /nfs/dbraw/zinc/35/31/04/296353104.db2.gz SQYJXTVOPKCNEP-HZPDHXFCSA-N 1 3 320.477 2.767 20 0 DFADHO COc1ccc(C)cc1C1(C[NH2+][C@H](C)C[C@@H](C)N)CCOCC1 ZINC000422901883 296353105 /nfs/dbraw/zinc/35/31/05/296353105.db2.gz SQYJXTVOPKCNEP-HZPDHXFCSA-N 1 3 320.477 2.767 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422901254 296353209 /nfs/dbraw/zinc/35/32/09/296353209.db2.gz RSSPATGPTFGVPQ-RVKKMQEKSA-N 1 3 305.441 2.759 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422906106 296354168 /nfs/dbraw/zinc/35/41/68/296354168.db2.gz JDHJOPHWWCQBEX-KBPBESRZSA-N 1 3 307.507 2.932 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCCc1nc2c(s1)CCCC2 ZINC000422906106 296354169 /nfs/dbraw/zinc/35/41/69/296354169.db2.gz JDHJOPHWWCQBEX-KBPBESRZSA-N 1 3 307.507 2.932 20 0 DFADHO CC[C@H](NCc1cccc(OCCN(C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422905812 296354269 /nfs/dbraw/zinc/35/42/69/296354269.db2.gz ZLRAXDMVISKDNG-RBUKOAKNSA-N 1 3 319.493 2.637 20 0 DFADHO Fc1cccc(CCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422910458 296354539 /nfs/dbraw/zinc/35/45/39/296354539.db2.gz QNQLUQJTYPTWGA-OKZBNKHCSA-N 1 3 306.425 2.505 20 0 DFADHO CC(C)C(=O)Nc1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000119823440 195044571 /nfs/dbraw/zinc/04/45/71/195044571.db2.gz GRNTZCUAKWSGDV-YOEHRIQHSA-N 1 3 303.450 2.711 20 0 DFADHO CC(C)C(=O)Nc1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000119823440 195044572 /nfs/dbraw/zinc/04/45/72/195044572.db2.gz GRNTZCUAKWSGDV-YOEHRIQHSA-N 1 3 303.450 2.711 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1nc2ccccc2n1C(F)F ZINC000422911204 296354921 /nfs/dbraw/zinc/35/49/21/296354921.db2.gz KHEVIUUXWWSHOP-NWDGAFQWSA-N 1 3 308.376 2.691 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422911204 296354922 /nfs/dbraw/zinc/35/49/22/296354922.db2.gz KHEVIUUXWWSHOP-NWDGAFQWSA-N 1 3 308.376 2.691 20 0 DFADHO COc1cc(OC)cc(OCCCN[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422929024 296356556 /nfs/dbraw/zinc/35/65/56/296356556.db2.gz NYFNCJCQPJFKTG-MSOLQXFVSA-N 1 3 322.449 2.722 20 0 DFADHO Cc1cccc(C)c1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422933778 296357058 /nfs/dbraw/zinc/35/70/58/296357058.db2.gz DTMRYGITYKBUMG-GBESFXJTSA-N 1 3 302.462 2.593 20 0 DFADHO Cc1cccc(C)c1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422933780 296357225 /nfs/dbraw/zinc/35/72/25/296357225.db2.gz DTMRYGITYKBUMG-IPMKNSEASA-N 1 3 302.462 2.593 20 0 DFADHO CCCCNC(=O)c1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422944716 296358927 /nfs/dbraw/zinc/35/89/27/296358927.db2.gz SLEXZVRKZMWEHV-MSOLQXFVSA-N 1 3 317.477 2.824 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1cccc(Cl)c1Cl ZINC000422950112 296359567 /nfs/dbraw/zinc/35/95/67/296359567.db2.gz VHSOEYXOAFAEKK-JKOKRWQUSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422950112 296359569 /nfs/dbraw/zinc/35/95/69/296359569.db2.gz VHSOEYXOAFAEKK-JKOKRWQUSA-N 1 3 317.260 2.878 20 0 DFADHO FC(F)(F)c1cccc(OCCN[C@@H]2CCC[NH2+]CC2)c1 ZINC000422951549 296359909 /nfs/dbraw/zinc/35/99/09/296359909.db2.gz YZJITXYAZYXPLL-CYBMUJFWSA-N 1 3 302.340 2.816 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422955387 296360763 /nfs/dbraw/zinc/36/07/63/296360763.db2.gz JDTYXXWFMYBYRD-MNOVXSKESA-N 1 3 308.813 2.648 20 0 DFADHO CC[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@H]1CCCCN1 ZINC000422952893 296360263 /nfs/dbraw/zinc/36/02/63/296360263.db2.gz CNYPHQKGJCTLGH-JKSUJKDBSA-N 1 3 323.868 2.580 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000422962623 296361739 /nfs/dbraw/zinc/36/17/39/296361739.db2.gz CXNLHWFNPGAYPP-BPQIPLTHSA-N 1 3 304.478 2.766 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000422962623 296361740 /nfs/dbraw/zinc/36/17/40/296361740.db2.gz CXNLHWFNPGAYPP-BPQIPLTHSA-N 1 3 304.478 2.766 20 0 DFADHO C[C@@H](Nc1cccc(CN2CCSCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422958938 296361143 /nfs/dbraw/zinc/36/11/43/296361143.db2.gz ZPUSFXFEAQQBIB-PBHICJAKSA-N 1 3 305.491 2.788 20 0 DFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccccc1-n1ccnc1 ZINC000422965372 296362340 /nfs/dbraw/zinc/36/23/40/296362340.db2.gz KXEXSGHXMQVEFR-VQIMIIECSA-N 1 3 320.440 2.920 20 0 DFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000422965372 296362342 /nfs/dbraw/zinc/36/23/42/296362342.db2.gz KXEXSGHXMQVEFR-VQIMIIECSA-N 1 3 320.440 2.920 20 0 DFADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCCc3occc32)CC[NH2+]CC1 ZINC000422969066 296362457 /nfs/dbraw/zinc/36/24/57/296362457.db2.gz YOGSYLSQOJKSLQ-HIFRSBDPSA-N 1 3 320.433 2.568 20 0 DFADHO N[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c2ccccc21 ZINC000422978751 296363691 /nfs/dbraw/zinc/36/36/91/296363691.db2.gz KMFDPSOWBKLBCE-DJKXOVBDSA-N 1 3 321.424 2.806 20 0 DFADHO Cc1cc(C)c(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422997142 296365164 /nfs/dbraw/zinc/36/51/64/296365164.db2.gz AOVIRLLQXWNPBE-HSALFYBXSA-N 1 3 316.489 2.901 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](CCO)C1CCCCC1 ZINC000422990093 296364599 /nfs/dbraw/zinc/36/45/99/296364599.db2.gz BMLKPEZSLQPZKW-RDTXWAMCSA-N 1 3 305.466 2.831 20 0 DFADHO N[C@H]1CCCCC[C@@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422991308 296364727 /nfs/dbraw/zinc/36/47/27/296364727.db2.gz AVLLKGBUYTUFIE-STQMWFEESA-N 1 3 317.355 2.729 20 0 DFADHO CCC(CC)(CO)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423003221 296366169 /nfs/dbraw/zinc/36/61/69/296366169.db2.gz LBVFVSSZHHADPF-VQIMIIECSA-N 1 3 318.461 2.631 20 0 DFADHO Cc1cc(C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)n(-c2ccccc2)n1 ZINC000422999554 296365476 /nfs/dbraw/zinc/36/54/76/296365476.db2.gz SQSOTOLMGDPGSH-NAZJXLNTSA-N 1 3 324.472 2.984 20 0 DFADHO Fc1cccnc1OCCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422998046 296365677 /nfs/dbraw/zinc/36/56/77/296365677.db2.gz PIPNOAFIRLUOCL-WBVHZDCISA-N 1 3 315.392 2.682 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423012403 296367322 /nfs/dbraw/zinc/36/73/22/296367322.db2.gz KRFNQVNIJBWSFP-QMMBQJITSA-N 1 3 313.848 2.940 20 0 DFADHO C[C@@H](Cc1cc(Br)ccc1F)NC1CC[NH2+]CC1 ZINC000423017629 296368018 /nfs/dbraw/zinc/36/80/18/296368018.db2.gz WXIZWWDDIVMUTN-JTQLQIEISA-N 1 3 315.230 2.861 20 0 DFADHO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C1CCNCC1 ZINC000423017629 296368019 /nfs/dbraw/zinc/36/80/19/296368019.db2.gz WXIZWWDDIVMUTN-JTQLQIEISA-N 1 3 315.230 2.861 20 0 DFADHO CC(C)CSCCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423013241 296367395 /nfs/dbraw/zinc/36/73/95/296367395.db2.gz MIKAUFPOYWNZCP-OWCLPIDISA-N 1 3 300.512 2.512 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423011021 296367427 /nfs/dbraw/zinc/36/74/27/296367427.db2.gz HYZYTELAACUQQG-NEPJUHHUSA-N 1 3 317.355 2.729 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000423012819 296367516 /nfs/dbraw/zinc/36/75/16/296367516.db2.gz LNWHJWRAQAXNCZ-CWFSZBLJSA-N 1 3 324.472 2.945 20 0 DFADHO COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCCNCC2)cc1OC ZINC000423026947 296369145 /nfs/dbraw/zinc/36/91/45/296369145.db2.gz QNVACOQEKWZENZ-ZBFHGGJFSA-N 1 3 306.450 2.614 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCNCC[C@@H]2C)cc1OC ZINC000423026636 296369293 /nfs/dbraw/zinc/36/92/93/296369293.db2.gz QKGFMHJBBBSMBT-ZOBUZTSGSA-N 1 3 320.477 2.860 20 0 DFADHO Fc1cc(N2CC[C@@H](N[C@H]3CCC[NH2+]CC3)C2)ccc1Cl ZINC000423025627 296369331 /nfs/dbraw/zinc/36/93/31/296369331.db2.gz ORQODEPIGXPHHT-QWHCGFSZSA-N 1 3 311.832 2.790 20 0 DFADHO COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCCNCC2)cc1OC ZINC000423026944 296369359 /nfs/dbraw/zinc/36/93/59/296369359.db2.gz QNVACOQEKWZENZ-GDBMZVCRSA-N 1 3 306.450 2.614 20 0 DFADHO Cc1nn(C)c(C)c1CCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423018898 296368560 /nfs/dbraw/zinc/36/85/60/296368560.db2.gz SIGKPCJXSMMKMQ-YOEHRIQHSA-N 1 3 306.498 2.870 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2ccccc2Cl)CC1 ZINC000423028909 296369731 /nfs/dbraw/zinc/36/97/31/296369731.db2.gz TYQHOLTTZIDOOU-WOSRLPQWSA-N 1 3 308.853 2.714 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423028909 296369732 /nfs/dbraw/zinc/36/97/32/296369732.db2.gz TYQHOLTTZIDOOU-WOSRLPQWSA-N 1 3 308.853 2.714 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H](C)C[C@H](C)[NH3+])c2)CC1 ZINC000423028839 296369751 /nfs/dbraw/zinc/36/97/51/296369751.db2.gz RKRMVJKUTRMSSZ-HOTGVXAUSA-N 1 3 304.482 2.755 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423038058 296370553 /nfs/dbraw/zinc/37/05/53/296370553.db2.gz CGZYTVYXMMZNRG-OZVIIMIRSA-N 1 3 311.832 2.775 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423038058 296370554 /nfs/dbraw/zinc/37/05/54/296370554.db2.gz CGZYTVYXMMZNRG-OZVIIMIRSA-N 1 3 311.832 2.775 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423038057 296370598 /nfs/dbraw/zinc/37/05/98/296370598.db2.gz CGZYTVYXMMZNRG-MQIPJXDCSA-N 1 3 311.832 2.775 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423038057 296370600 /nfs/dbraw/zinc/37/06/00/296370600.db2.gz CGZYTVYXMMZNRG-MQIPJXDCSA-N 1 3 311.832 2.775 20 0 DFADHO [NH3+][C@H]1CCC[C@@H]1NCCc1c[nH]c2ccc(Br)cc12 ZINC000423037682 296370718 /nfs/dbraw/zinc/37/07/18/296370718.db2.gz WOPSFTKTASGQFV-ZFWWWQNUSA-N 1 3 322.250 2.942 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@H]1NCC1(CCOCc2ccccc2)CC1 ZINC000423046098 296371632 /nfs/dbraw/zinc/37/16/32/296371632.db2.gz DCXWACNAPIUKHD-SJLPKXTDSA-N 1 3 302.462 2.961 20 0 DFADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423046013 296371669 /nfs/dbraw/zinc/37/16/69/296371669.db2.gz DTTRQEDXZMZAFN-JSGCOSHPSA-N 1 3 308.223 2.900 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000423061453 296373529 /nfs/dbraw/zinc/37/35/29/296373529.db2.gz QRTKWRCJVAGRKC-KDOFPFPSSA-N 1 3 321.896 2.805 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423061453 296373531 /nfs/dbraw/zinc/37/35/31/296373531.db2.gz QRTKWRCJVAGRKC-KDOFPFPSSA-N 1 3 321.896 2.805 20 0 DFADHO C[C@@H](NC[C@@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423059359 296373047 /nfs/dbraw/zinc/37/30/47/296373047.db2.gz FKIDQLCDZVIJQG-LZQZEXGQSA-N 1 3 301.478 2.627 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423058915 296373186 /nfs/dbraw/zinc/37/31/86/296373186.db2.gz KSDJEXGKJNLULO-FUMNGEBKSA-N 1 3 316.489 2.799 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000423064763 296374283 /nfs/dbraw/zinc/37/42/83/296374283.db2.gz ZRVHTCSXYHDUIQ-KBXCAEBGSA-N 1 3 321.896 2.676 20 0 DFADHO CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N)Cc1ccccc1 ZINC000423067452 296374406 /nfs/dbraw/zinc/37/44/06/296374406.db2.gz HCXLBZZGDJMHCP-QXCFHYIPSA-N 1 3 304.478 2.843 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000423069055 296374482 /nfs/dbraw/zinc/37/44/82/296374482.db2.gz CYCLVMRPXVGFOU-UGSOOPFHSA-N 1 3 305.466 2.831 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CNC/C=C/c1ccc(F)c(F)c1 ZINC000286382961 218954839 /nfs/dbraw/zinc/95/48/39/218954839.db2.gz GRZSPRNTBLLTHF-LLYBFZRZSA-N 1 3 312.404 2.924 20 0 DFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCN1CCCC(C)(C)C1 ZINC000423085240 296376200 /nfs/dbraw/zinc/37/62/00/296376200.db2.gz JMLXNFXWLMLNNH-SJLPKXTDSA-N 1 3 303.494 2.657 20 0 DFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CCCC(C)(C)C1 ZINC000423085240 296376201 /nfs/dbraw/zinc/37/62/01/296376201.db2.gz JMLXNFXWLMLNNH-SJLPKXTDSA-N 1 3 303.494 2.657 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCCN1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000624101211 399553791 /nfs/dbraw/zinc/55/37/91/399553791.db2.gz QOFXJAMPHBLNSU-NZSAHSFTSA-N 1 3 301.478 2.581 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423088745 296376954 /nfs/dbraw/zinc/37/69/54/296376954.db2.gz SOLVLXHHACFRNJ-WPPJOMGTSA-N 1 3 319.415 2.509 20 0 DFADHO COc1ccc(OCCCN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158779922 197300797 /nfs/dbraw/zinc/30/07/97/197300797.db2.gz QOOKXQYMRZFHIO-APWZRJJASA-N 1 3 318.461 2.880 20 0 DFADHO COc1ccc(OCCCN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158779922 197300799 /nfs/dbraw/zinc/30/07/99/197300799.db2.gz QOOKXQYMRZFHIO-APWZRJJASA-N 1 3 318.461 2.880 20 0 DFADHO COc1ccc(OCCC[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000158779922 197300800 /nfs/dbraw/zinc/30/08/00/197300800.db2.gz QOOKXQYMRZFHIO-APWZRJJASA-N 1 3 318.461 2.880 20 0 DFADHO COc1ccc(OCCC[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000158779922 197300802 /nfs/dbraw/zinc/30/08/02/197300802.db2.gz QOOKXQYMRZFHIO-APWZRJJASA-N 1 3 318.461 2.880 20 0 DFADHO C[C@H](NCCc1cccc(OCC(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000423099892 296378108 /nfs/dbraw/zinc/37/81/08/296378108.db2.gz UOHPCSLJFUFJNX-GXTWGEPZSA-N 1 3 316.367 2.758 20 0 DFADHO C[C@@H]1CSC[C@@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423100894 296378228 /nfs/dbraw/zinc/37/82/28/296378228.db2.gz CCTFSVUYCNDVSW-JJAZEVLHSA-N 1 3 304.459 2.583 20 0 DFADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121589 399560315 /nfs/dbraw/zinc/56/03/15/399560315.db2.gz YIKCDMBAHCWSBK-PMACEKPBSA-N 1 3 315.505 2.973 20 0 DFADHO C[N@@H+]1CCCC[C@@H](CN[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121589 399560318 /nfs/dbraw/zinc/56/03/18/399560318.db2.gz YIKCDMBAHCWSBK-PMACEKPBSA-N 1 3 315.505 2.973 20 0 DFADHO C[N@H+]1CCCC[C@@H](CN[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121589 399560321 /nfs/dbraw/zinc/56/03/21/399560321.db2.gz YIKCDMBAHCWSBK-PMACEKPBSA-N 1 3 315.505 2.973 20 0 DFADHO CCc1noc(C2CCC([NH2+]C[C@@H]3CCCCN(C)C3)CC2)n1 ZINC000624122632 399561061 /nfs/dbraw/zinc/56/10/61/399561061.db2.gz XDWJQPRNHKJCCI-FHERZECASA-N 1 3 320.481 2.980 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423123798 296380994 /nfs/dbraw/zinc/38/09/94/296380994.db2.gz FHUPMYOLJNHBSC-AAEUAGOBSA-N 1 3 301.356 2.750 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCc1cccc(C(F)(F)F)n1 ZINC000423123798 296380996 /nfs/dbraw/zinc/38/09/96/296380996.db2.gz FHUPMYOLJNHBSC-AAEUAGOBSA-N 1 3 301.356 2.750 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000423131007 296382195 /nfs/dbraw/zinc/38/21/95/296382195.db2.gz HNDLQMABZSBUGB-CJNGLKHVSA-N 1 3 305.466 2.688 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@@H](C)[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000423131881 296382234 /nfs/dbraw/zinc/38/22/34/296382234.db2.gz TVOFSMKCJRLXRM-IEZWGBDMSA-N 1 3 319.493 2.664 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423126741 296381881 /nfs/dbraw/zinc/38/18/81/296381881.db2.gz ORHURUGWZCQTPC-QXRTWZOPSA-N 1 3 322.880 2.926 20 0 DFADHO C[C@H](NCCc1cnc(SC2CCCC2)nc1)[C@H]1CC[NH2+]C1 ZINC000423134531 296382723 /nfs/dbraw/zinc/38/27/23/296382723.db2.gz MKMHCVRSCKXCGY-ZFWWWQNUSA-N 1 3 320.506 2.641 20 0 DFADHO C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@H]1CCCCN1 ZINC000423136329 296383080 /nfs/dbraw/zinc/38/30/80/296383080.db2.gz PBUCJVNGORUWHX-SMDDNHRTSA-N 1 3 301.356 2.763 20 0 DFADHO C[C@H](NC[C@@H]1CCN(c2ccccc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000423141533 296383832 /nfs/dbraw/zinc/38/38/32/296383832.db2.gz QNDWSPFOMCIQQP-YQQAZPJKSA-N 1 3 305.441 2.772 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423145842 296384750 /nfs/dbraw/zinc/38/47/50/296384750.db2.gz MUULHQCFUXSQBI-ACMLMGIUSA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423145842 296384752 /nfs/dbraw/zinc/38/47/52/296384752.db2.gz MUULHQCFUXSQBI-ACMLMGIUSA-N 1 3 308.853 2.928 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000423147200 296385191 /nfs/dbraw/zinc/38/51/91/296385191.db2.gz CCYIRLFQYYWBEP-ABAIWWIYSA-N 1 3 300.805 2.965 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423147200 296385193 /nfs/dbraw/zinc/38/51/93/296385193.db2.gz CCYIRLFQYYWBEP-ABAIWWIYSA-N 1 3 300.805 2.965 20 0 DFADHO CO[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423156645 296386150 /nfs/dbraw/zinc/38/61/50/296386150.db2.gz LJAWIBFZCAEFKF-ZSYWTGECSA-N 1 3 302.462 2.754 20 0 DFADHO Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H](N)c3ccccc32)cc1C ZINC000423157354 296386217 /nfs/dbraw/zinc/38/62/17/296386217.db2.gz ANNTUHGEHZYZGO-NSISKUIASA-N 1 3 310.441 2.941 20 0 DFADHO CO[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423156644 296386243 /nfs/dbraw/zinc/38/62/43/296386243.db2.gz LJAWIBFZCAEFKF-WJFTUGDTSA-N 1 3 302.462 2.754 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000423157672 296386077 /nfs/dbraw/zinc/38/60/77/296386077.db2.gz MWUNWXFMBWXLEQ-IAQYHMDHSA-N 1 3 300.805 2.965 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423157672 296386078 /nfs/dbraw/zinc/38/60/78/296386078.db2.gz MWUNWXFMBWXLEQ-IAQYHMDHSA-N 1 3 300.805 2.965 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000347753166 285159765 /nfs/dbraw/zinc/15/97/65/285159765.db2.gz OSFAATDYQSXXMM-KRWDZBQOSA-N 1 3 309.498 2.633 20 0 DFADHO C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000617009387 399571014 /nfs/dbraw/zinc/57/10/14/399571014.db2.gz XZWHIZVMYLAITB-DLBZAZTESA-N 1 3 317.477 2.668 20 0 DFADHO c1ncn2cc(C[NH2+][C@@H]3CCN[C@H](c4ccccc4)C3)ccc12 ZINC000423165609 296387411 /nfs/dbraw/zinc/38/74/11/296387411.db2.gz BGWAXZMKAAJQDL-MJGOQNOKSA-N 1 3 306.413 2.917 20 0 DFADHO c1ncn2cc(CN[C@@H]3CC[NH2+][C@H](c4ccccc4)C3)ccc12 ZINC000423165609 296387414 /nfs/dbraw/zinc/38/74/14/296387414.db2.gz BGWAXZMKAAJQDL-MJGOQNOKSA-N 1 3 306.413 2.917 20 0 DFADHO C[C@H](NCCCN1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000423174469 296388262 /nfs/dbraw/zinc/38/82/62/296388262.db2.gz ATGYFBVZWQGELP-LBPRGKRZSA-N 1 3 316.276 2.939 20 0 DFADHO Clc1ccccc1C[C@H]([NH2+]C1CCNCC1)[C@@H]1CCCO1 ZINC000423185884 296389795 /nfs/dbraw/zinc/38/97/95/296389795.db2.gz NUMXOFXWTKJXOO-IRXDYDNUSA-N 1 3 308.853 2.772 20 0 DFADHO CCc1c2ccccc2oc1[C@@H](C)NCCN1CC[NH2+]CC1 ZINC000423203192 296392237 /nfs/dbraw/zinc/39/22/37/296392237.db2.gz MKOSJOYYHJVDJY-CQSZACIVSA-N 1 3 301.434 2.551 20 0 DFADHO C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)[C@@H]1CCCNC1 ZINC000423222040 296394042 /nfs/dbraw/zinc/39/40/42/296394042.db2.gz ZHSVJOHPUHYIRR-ZIAGYGMSSA-N 1 3 323.431 2.911 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCCNC2)c(C)c1OC ZINC000423212349 296393218 /nfs/dbraw/zinc/39/32/18/296393218.db2.gz IFOYKFCNFATPGB-LXZKKBNFSA-N 1 3 320.477 2.921 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423226123 296394490 /nfs/dbraw/zinc/39/44/90/296394490.db2.gz PMSCPBOFSGMRHL-UONOGXRCSA-N 1 3 306.454 2.948 20 0 DFADHO C[C@@H](NCC[C@H]1CC[NH2+]C1)c1ncc(Br)s1 ZINC000423241609 296396025 /nfs/dbraw/zinc/39/60/25/296396025.db2.gz DKTINBYLORPTHE-RKDXNWHRSA-N 1 3 304.257 2.556 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)N[C@H](C[NH3+])C1CCCCC1 ZINC000423272103 296399199 /nfs/dbraw/zinc/39/91/99/296399199.db2.gz YKMCRGUWXCNGHJ-RHSMWYFYSA-N 1 3 303.450 2.901 20 0 DFADHO CC(C)CC[C@@H]1CCC[C@H]1NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629406043 399595220 /nfs/dbraw/zinc/59/52/20/399595220.db2.gz UFWOWCJYVYGZIR-USXIJHARSA-N 1 3 305.470 2.507 20 0 DFADHO CC(C)CC[C@@H]1CCC[C@H]1NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629406038 399595245 /nfs/dbraw/zinc/59/52/45/399595245.db2.gz UFWOWCJYVYGZIR-BHYGNILZSA-N 1 3 305.470 2.507 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423279177 296400164 /nfs/dbraw/zinc/40/01/64/296400164.db2.gz RPKURSGBFKOQIN-MLGOLLRUSA-N 1 3 309.404 2.651 20 0 DFADHO COc1ccc2c(c1)C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)CO2 ZINC000423291783 296401606 /nfs/dbraw/zinc/40/16/06/296401606.db2.gz JVAAQYHKYYHQJS-SUMWQHHRSA-N 1 3 312.413 2.808 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCCO1)c1cccc(OCCN(C)C)c1 ZINC000156404514 197110587 /nfs/dbraw/zinc/11/05/87/197110587.db2.gz VKMUMGVWDVCUGZ-MAUKXSAKSA-N 1 3 306.450 2.847 20 0 DFADHO Brc1cccc2c1CC[C@@H]2NCC1=CC[NH2+]CC1 ZINC000423349820 296407383 /nfs/dbraw/zinc/40/73/83/296407383.db2.gz XQIKXYWZUKPAKZ-HNNXBMFYSA-N 1 3 307.235 2.946 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423369489 296409341 /nfs/dbraw/zinc/40/93/41/296409341.db2.gz DWUOSZBURNWCNK-FPMFFAJLSA-N 1 3 301.434 2.837 20 0 DFADHO c1cc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc2c1CNC2 ZINC000423368968 296409426 /nfs/dbraw/zinc/40/94/26/296409426.db2.gz DPCKFTGVGOUUPG-HHXXYDBFSA-N 1 3 300.446 2.975 20 0 DFADHO Cc1cc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cs1 ZINC000423376149 296410289 /nfs/dbraw/zinc/41/02/89/296410289.db2.gz AQRJTZXHGCQUEA-AAEUAGOBSA-N 1 3 321.412 2.543 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C1 ZINC000423391746 296411518 /nfs/dbraw/zinc/41/15/18/296411518.db2.gz PREYUVOETXHLLG-CRAIPNDOSA-N 1 3 310.445 2.839 20 0 DFADHO Cc1c([C@@H](C)N[C@@H](C)CCC[NH3+])nnn1-c1ccc(C)cc1 ZINC000423454848 296417949 /nfs/dbraw/zinc/41/79/49/296417949.db2.gz MBORBHNJVJVKLZ-UONOGXRCSA-N 1 3 301.438 2.662 20 0 DFADHO C[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423470634 296419099 /nfs/dbraw/zinc/41/90/99/296419099.db2.gz LNHLIMFUCIVFLR-PLYYQAHHSA-N 1 3 306.425 2.533 20 0 DFADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])C1)c1ncc(Br)cc1F ZINC000423494079 296421985 /nfs/dbraw/zinc/42/19/85/296421985.db2.gz CTGCRQVJNMVZIJ-QXEWZRGKSA-N 1 3 316.218 2.761 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000120418932 195163164 /nfs/dbraw/zinc/16/31/64/195163164.db2.gz KMTUJKNTJIFCAB-HNNXBMFYSA-N 1 3 304.434 2.984 20 0 DFADHO COC[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(F)c(F)c1 ZINC000423547151 296428889 /nfs/dbraw/zinc/42/88/89/296428889.db2.gz PQYKIAOWDIRPDG-WBOJAVRRSA-N 1 3 310.388 2.630 20 0 DFADHO CC(C)C[C@H](C)C[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000348003114 285292388 /nfs/dbraw/zinc/29/23/88/285292388.db2.gz MCFZZTUZMGXNKP-INIZCTEOSA-N 1 3 319.493 2.750 20 0 DFADHO CC(C)[C@H](C(=O)N[C@H](CN)c1ccc2ccccc2c1)[C@H](C)[NH3+] ZINC000423614615 296433924 /nfs/dbraw/zinc/43/39/24/296433924.db2.gz QOBQOVWKOHHSOH-VHSSKADRSA-N 1 3 313.445 2.575 20 0 DFADHO Cc1cn[nH]c1CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000289586476 221085288 /nfs/dbraw/zinc/08/52/88/221085288.db2.gz SYGSFJVFIBMXCP-MNZLEMJZSA-N 1 3 312.461 2.964 20 0 DFADHO Cc1cn[nH]c1CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000289586476 221085290 /nfs/dbraw/zinc/08/52/90/221085290.db2.gz SYGSFJVFIBMXCP-MNZLEMJZSA-N 1 3 312.461 2.964 20 0 DFADHO Cc1nnc(CCNC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000289683465 221151641 /nfs/dbraw/zinc/15/16/41/221151641.db2.gz CNFFRWSKJUMUQQ-UHFFFAOYSA-N 1 3 316.474 2.643 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629512922 399630618 /nfs/dbraw/zinc/63/06/18/399630618.db2.gz CZOGNTZJCADSGI-DXEWXGHRSA-N 1 3 324.852 2.545 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CCCN1CC(F)F ZINC000629520898 399633533 /nfs/dbraw/zinc/63/35/33/399633533.db2.gz ZHVQKDQGRZOLTL-QLFBSQMISA-N 1 3 303.441 2.616 20 0 DFADHO COc1cc([C@H](C)[NH2+]CC2(N)CCOCC2)ccc1SC ZINC000629520328 399634188 /nfs/dbraw/zinc/63/41/88/399634188.db2.gz GKJGCDFZDYLCKS-LBPRGKRZSA-N 1 3 310.463 2.576 20 0 DFADHO C[NH2+]CCOCCN[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000629528880 399636266 /nfs/dbraw/zinc/63/62/66/399636266.db2.gz LZIBSYDXVPMLAL-ZDUSSCGKSA-N 1 3 306.406 2.636 20 0 DFADHO OCc1ccc(F)c(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000629532033 399638048 /nfs/dbraw/zinc/63/80/48/399638048.db2.gz JCAQWQBWVRHTLJ-HOTGVXAUSA-N 1 3 306.425 2.530 20 0 DFADHO C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000294946830 224330422 /nfs/dbraw/zinc/33/04/22/224330422.db2.gz FEHNVBDVAYPTKQ-KBAYOESNSA-N 1 3 304.503 2.892 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCc2cn[nH]c2)CC1 ZINC000289994747 221367774 /nfs/dbraw/zinc/36/77/74/221367774.db2.gz KRLMQZCYWRARKR-UHFFFAOYSA-N 1 3 312.461 2.796 20 0 DFADHO C[N@H+](Cc1ccccc1)CC1CCN(CCc2cn[nH]c2)CC1 ZINC000289994747 221367777 /nfs/dbraw/zinc/36/77/77/221367777.db2.gz KRLMQZCYWRARKR-UHFFFAOYSA-N 1 3 312.461 2.796 20 0 DFADHO [NH3+]CCCOCCN[C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000629540359 399640208 /nfs/dbraw/zinc/64/02/08/399640208.db2.gz SVARTISFMAQFLX-CYBMUJFWSA-N 1 3 303.233 2.936 20 0 DFADHO CC(C)c1ccc(C[C@H](C)NC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629574916 399653755 /nfs/dbraw/zinc/65/37/55/399653755.db2.gz LSMWKZKTMNEEDR-LPHOPBHVSA-N 1 3 304.478 2.787 20 0 DFADHO CN(CCCOc1cccc2ccccc21)CCOCC[NH3+] ZINC000629579050 399653773 /nfs/dbraw/zinc/65/37/73/399653773.db2.gz PFMHUVQCGYXLEU-UHFFFAOYSA-N 1 3 302.418 2.516 20 0 DFADHO CN(CCOCC[NH3+])Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000629581146 399654289 /nfs/dbraw/zinc/65/42/89/399654289.db2.gz OPFLXLKUIIFQCE-UHFFFAOYSA-N 1 3 310.747 2.766 20 0 DFADHO Fc1ccc([C@H]2CCCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1F ZINC000629552069 399645195 /nfs/dbraw/zinc/64/51/95/399645195.db2.gz ZPRVYHZYLASUSB-GJZGRUSLSA-N 1 3 322.399 2.665 20 0 DFADHO CCC[C@H](NCc1cn([C@H]2CC[NH2+]C2)nn1)C1CCCCC1 ZINC000629553673 399646726 /nfs/dbraw/zinc/64/67/26/399646726.db2.gz WUZCYTCFYABFBO-IRXDYDNUSA-N 1 3 305.470 2.651 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556497 399647425 /nfs/dbraw/zinc/64/74/25/399647425.db2.gz RAZUDFLRQPVIIO-HZUKXOBISA-N 1 3 321.852 2.706 20 0 DFADHO CC(C)(CNC[C@@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000629559937 399649573 /nfs/dbraw/zinc/64/95/73/399649573.db2.gz VOLVCURVLZTGKF-MRXNPFEDSA-N 1 3 310.869 2.664 20 0 DFADHO CCC(CC)(CNC[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000629566070 399652533 /nfs/dbraw/zinc/65/25/33/399652533.db2.gz SAWHUIDOVSLRJJ-GOSISDBHSA-N 1 3 304.478 2.791 20 0 DFADHO C[NH2+]Cc1ccc(-c2ccccc2CN2CCN(C)CC2)cc1 ZINC000629735290 399707833 /nfs/dbraw/zinc/70/78/33/399707833.db2.gz PVQSHLRVLVFJNF-UHFFFAOYSA-N 1 3 309.457 2.820 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000294977704 224353693 /nfs/dbraw/zinc/35/36/93/224353693.db2.gz GGWHNGPRXSXWRJ-WJFTUGDTSA-N 1 3 300.446 2.666 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000294977704 224353696 /nfs/dbraw/zinc/35/36/96/224353696.db2.gz GGWHNGPRXSXWRJ-WJFTUGDTSA-N 1 3 300.446 2.666 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000294977704 224353699 /nfs/dbraw/zinc/35/36/99/224353699.db2.gz GGWHNGPRXSXWRJ-WJFTUGDTSA-N 1 3 300.446 2.666 20 0 DFADHO CO[C@@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000091772893 542541636 /nfs/dbraw/zinc/54/16/36/542541636.db2.gz NLMHLAQCCOCQGO-LJQANCHMSA-N 1 3 318.461 2.772 20 0 DFADHO CC(C)CO[C@@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000091964153 542543887 /nfs/dbraw/zinc/54/38/87/542543887.db2.gz AURUXRBCJZGLKE-LJQANCHMSA-N 1 3 320.477 2.874 20 0 DFADHO CCC1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCCCC1 ZINC000617507503 399720134 /nfs/dbraw/zinc/72/01/34/399720134.db2.gz ZFOJIIOOCONDGG-INIZCTEOSA-N 1 3 311.514 2.735 20 0 DFADHO CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCCCC1 ZINC000617507503 399720141 /nfs/dbraw/zinc/72/01/41/399720141.db2.gz ZFOJIIOOCONDGG-INIZCTEOSA-N 1 3 311.514 2.735 20 0 DFADHO CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507482 399720559 /nfs/dbraw/zinc/72/05/59/399720559.db2.gz YNZFEWHLHHCDII-GVDBMIGSSA-N 1 3 311.514 2.591 20 0 DFADHO CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507482 399720563 /nfs/dbraw/zinc/72/05/63/399720563.db2.gz YNZFEWHLHHCDII-GVDBMIGSSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000617505566 399721003 /nfs/dbraw/zinc/72/10/03/399721003.db2.gz IKTHDHZHPURHLI-CGTJXYLNSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000617505566 399721006 /nfs/dbraw/zinc/72/10/06/399721006.db2.gz IKTHDHZHPURHLI-CGTJXYLNSA-N 1 3 323.525 2.591 20 0 DFADHO CN(C)Cc1ccc(-c2noc(CC[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000621246210 399732207 /nfs/dbraw/zinc/73/22/07/399732207.db2.gz QZPODXHYYFNKEW-AWEZNQCLSA-N 1 3 314.433 2.730 20 0 DFADHO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NCc2ccc(F)cc2C)C1 ZINC000626050533 399734578 /nfs/dbraw/zinc/73/45/78/399734578.db2.gz QXKRMBFPNPLUFF-FGTMMUONSA-N 1 3 306.425 2.866 20 0 DFADHO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NCc2ccc(F)cc2C)C1 ZINC000626050533 399734581 /nfs/dbraw/zinc/73/45/81/399734581.db2.gz QXKRMBFPNPLUFF-FGTMMUONSA-N 1 3 306.425 2.866 20 0 DFADHO C[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000121913349 195372770 /nfs/dbraw/zinc/37/27/70/195372770.db2.gz YGZBOKXTWWVPAX-OAGGEKHMSA-N 1 3 309.498 2.628 20 0 DFADHO Cc1cnc(CC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000348140403 285377714 /nfs/dbraw/zinc/37/77/14/285377714.db2.gz KCGICKLOCVCOBF-IEBWSBKVSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cnc(CCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000348140403 285377715 /nfs/dbraw/zinc/37/77/15/285377715.db2.gz KCGICKLOCVCOBF-IEBWSBKVSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cnc(CCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000348140403 285377716 /nfs/dbraw/zinc/37/77/16/285377716.db2.gz KCGICKLOCVCOBF-IEBWSBKVSA-N 1 3 324.472 2.828 20 0 DFADHO CC[N@H+](CCCN1CCCC1=O)Cc1ccc(CN(C)C)cc1 ZINC000626062009 399741243 /nfs/dbraw/zinc/74/12/43/399741243.db2.gz CNDAONJSOAQLCB-UHFFFAOYSA-N 1 3 317.477 2.583 20 0 DFADHO CC[N@@H+](CCCN1CCCC1=O)Cc1ccc(CN(C)C)cc1 ZINC000626062009 399741246 /nfs/dbraw/zinc/74/12/46/399741246.db2.gz CNDAONJSOAQLCB-UHFFFAOYSA-N 1 3 317.477 2.583 20 0 DFADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@H](O)COC(C)(C)C ZINC000626062371 399741450 /nfs/dbraw/zinc/74/14/50/399741450.db2.gz PZJWUNYWESNEIG-SFHVURJKSA-N 1 3 322.493 2.746 20 0 DFADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@H](O)COC(C)(C)C ZINC000626062371 399741455 /nfs/dbraw/zinc/74/14/55/399741455.db2.gz PZJWUNYWESNEIG-SFHVURJKSA-N 1 3 322.493 2.746 20 0 DFADHO C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1cccc(OCCN(C)C)c1 ZINC000167044987 533438223 /nfs/dbraw/zinc/43/82/23/533438223.db2.gz DLXBMUOTCOJBCE-QAPCUYQASA-N 1 3 306.450 2.847 20 0 DFADHO C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000297461262 533622267 /nfs/dbraw/zinc/62/22/67/533622267.db2.gz XVYDDCRVEWRYIW-CVEARBPZSA-N 1 3 308.466 2.686 20 0 DFADHO CCC[NH+]1CCC(N[C@@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000123743393 542594121 /nfs/dbraw/zinc/59/41/21/542594121.db2.gz VWVIBTKJDSDRFA-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO CCC[NH+]1CCC(NC[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC000124753691 542598880 /nfs/dbraw/zinc/59/88/80/542598880.db2.gz DHESXUWMZDCPJQ-GOSISDBHSA-N 1 3 307.457 2.892 20 0 DFADHO CCCN1CCC([NH2+]C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC000124753691 542598881 /nfs/dbraw/zinc/59/88/81/542598881.db2.gz DHESXUWMZDCPJQ-GOSISDBHSA-N 1 3 307.457 2.892 20 0 DFADHO CC1(C)[C@H]([NH2+]CCOc2ccc(OC(F)(F)F)cc2)C[C@@H]1N ZINC000603432615 399775076 /nfs/dbraw/zinc/77/50/76/399775076.db2.gz JKGLJXASADUORW-QWHCGFSZSA-N 1 3 318.339 2.679 20 0 DFADHO C[C@H](NCc1cn2cc(Cl)ccc2n1)C1CC[NH+](C)CC1 ZINC000131610144 542638020 /nfs/dbraw/zinc/63/80/20/542638020.db2.gz RPPLPJGKOHEWKB-LBPRGKRZSA-N 1 3 306.841 2.808 20 0 DFADHO CN(C)c1ccc(CN2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000131288601 542636443 /nfs/dbraw/zinc/63/64/43/542636443.db2.gz AHDWULCTRNHMDQ-UHFFFAOYSA-N 1 3 304.482 2.701 20 0 DFADHO C[C@H](CC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)N1CCCCC1 ZINC000348362441 285510937 /nfs/dbraw/zinc/51/09/37/285510937.db2.gz AFADGZYMDYXKIV-HZSPNIEDSA-N 1 3 308.388 2.950 20 0 DFADHO Cc1nccn1CCCCN1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000162588432 542737734 /nfs/dbraw/zinc/73/77/34/542737734.db2.gz HLOKRRVPYPWMGJ-INIZCTEOSA-N 1 3 304.482 2.920 20 0 DFADHO Cc1nccn1CCCCN1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000162588432 542737741 /nfs/dbraw/zinc/73/77/41/542737741.db2.gz HLOKRRVPYPWMGJ-INIZCTEOSA-N 1 3 304.482 2.920 20 0 DFADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(N2CCSCC2)CCCC1 ZINC000166142001 542749643 /nfs/dbraw/zinc/74/96/43/542749643.db2.gz VAOXKUCJLTZXDL-IAGOWNOFSA-N 1 3 323.550 2.564 20 0 DFADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1(N2CCSCC2)CCCC1 ZINC000166142001 542749646 /nfs/dbraw/zinc/74/96/46/542749646.db2.gz VAOXKUCJLTZXDL-IAGOWNOFSA-N 1 3 323.550 2.564 20 0 DFADHO c1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166140975 542750558 /nfs/dbraw/zinc/75/05/58/542750558.db2.gz OLPATJPZOGZTAC-RTBURBONSA-N 1 3 314.473 2.951 20 0 DFADHO c1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166140975 542750563 /nfs/dbraw/zinc/75/05/63/542750563.db2.gz OLPATJPZOGZTAC-RTBURBONSA-N 1 3 314.473 2.951 20 0 DFADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000166348723 542750875 /nfs/dbraw/zinc/75/08/75/542750875.db2.gz WKAFWRKEDBBEJF-LSTHTHJFSA-N 1 3 313.489 2.650 20 0 DFADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000166348723 542750877 /nfs/dbraw/zinc/75/08/77/542750877.db2.gz WKAFWRKEDBBEJF-LSTHTHJFSA-N 1 3 313.489 2.650 20 0 DFADHO Cc1ccc([C@H](CNC(=O)CC[NH2+]C(C)C)N2CCCC2)cc1 ZINC000166325124 542751871 /nfs/dbraw/zinc/75/18/71/542751871.db2.gz BEXBCXYPVRLFAG-SFHVURJKSA-N 1 3 317.477 2.636 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N(C)Cc1ccccc1 ZINC000166563359 542752002 /nfs/dbraw/zinc/75/20/02/542752002.db2.gz FUVPKSLYIIMZGG-BHIYHBOVSA-N 1 3 301.478 2.723 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N(C)Cc1ccccc1 ZINC000166563359 542752005 /nfs/dbraw/zinc/75/20/05/542752005.db2.gz FUVPKSLYIIMZGG-BHIYHBOVSA-N 1 3 301.478 2.723 20 0 DFADHO O[C@@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)CN1CCCC1 ZINC000289333054 543007081 /nfs/dbraw/zinc/00/70/81/543007081.db2.gz VWPIAPFMTFFEKP-KBXCAEBGSA-N 1 3 313.445 2.592 20 0 DFADHO C[NH+]1CCC(CNCc2cscc2Br)CC1 ZINC000304530083 543049387 /nfs/dbraw/zinc/04/93/87/543049387.db2.gz GRIHUQRKDRQKSA-UHFFFAOYSA-N 1 3 303.269 2.942 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000305126431 543054860 /nfs/dbraw/zinc/05/48/60/543054860.db2.gz LIRKKXHQHPHMKX-HNNXBMFYSA-N 1 3 306.450 2.583 20 0 DFADHO C(CN1CCC(C[NH+]2CCCCCC2)CC1)OC1CCOCC1 ZINC000625081410 399842323 /nfs/dbraw/zinc/84/23/23/399842323.db2.gz OWDYUENHSLPCSK-UHFFFAOYSA-N 1 3 324.509 2.770 20 0 DFADHO Cc1cccc(N2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)c1 ZINC000325632901 543095804 /nfs/dbraw/zinc/09/58/04/543095804.db2.gz XDAKEAJGPGOYGC-UHFFFAOYSA-N 1 3 321.468 2.963 20 0 DFADHO CN(CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000339070033 543140211 /nfs/dbraw/zinc/14/02/11/543140211.db2.gz VTOXNQPJIUBDRA-HOTGVXAUSA-N 1 3 305.441 2.868 20 0 DFADHO CN(CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000339070033 543140214 /nfs/dbraw/zinc/14/02/14/543140214.db2.gz VTOXNQPJIUBDRA-HOTGVXAUSA-N 1 3 305.441 2.868 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000342204639 543161708 /nfs/dbraw/zinc/16/17/08/543161708.db2.gz HHBLBGTURWFMIY-QGZVFWFLSA-N 1 3 309.498 2.585 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)CC[N@H+]1CCCC[C@H]1C ZINC000342204639 543161712 /nfs/dbraw/zinc/16/17/12/543161712.db2.gz HHBLBGTURWFMIY-QGZVFWFLSA-N 1 3 309.498 2.585 20 0 DFADHO CC(C)[C@H]1CC[C@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000343945634 543169794 /nfs/dbraw/zinc/16/97/94/543169794.db2.gz WJKMMNPGVQYWMN-IAGOWNOFSA-N 1 3 305.466 2.936 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000348385284 543184712 /nfs/dbraw/zinc/18/47/12/543184712.db2.gz WAOXBLBNPUPJMZ-QRVBRYPASA-N 1 3 300.446 2.531 20 0 DFADHO COC1(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CCCCC1 ZINC000361544065 292112225 /nfs/dbraw/zinc/11/22/25/292112225.db2.gz RQKUXVVVPOCWID-GVDBMIGSSA-N 1 3 310.482 2.519 20 0 DFADHO CCC[NH+]1CCC(NC[C@@](C)(CO)Cc2ccccc2)CC1 ZINC000357781508 543263810 /nfs/dbraw/zinc/26/38/10/543263810.db2.gz ARNUEWMHQYUPBN-IBGZPJMESA-N 1 3 304.478 2.692 20 0 DFADHO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000349382776 285854045 /nfs/dbraw/zinc/85/40/45/285854045.db2.gz SYRNESPKDRJTMQ-HXHJPBPVSA-N 1 3 306.450 2.605 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000379629325 543297564 /nfs/dbraw/zinc/29/75/64/543297564.db2.gz OSWMFUCJLZEVBX-GUDVDZBRSA-N 1 3 301.478 2.901 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCN(C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381802330 543298264 /nfs/dbraw/zinc/29/82/64/543298264.db2.gz UOGITISPMPBAHK-WDSOQIARSA-N 1 3 301.478 2.581 20 0 DFADHO NCc1cccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000390713682 543306972 /nfs/dbraw/zinc/30/69/72/543306972.db2.gz JRCZSOGQTBMVOW-UHFFFAOYSA-N 1 3 316.449 2.628 20 0 DFADHO O=C(C[C@@H]1CCC[NH2+]1)Nc1cccc(CN2CCCCC2)c1 ZINC000165137475 145229921 /nfs/dbraw/zinc/22/99/21/145229921.db2.gz PBGRTYSGOZPMDR-INIZCTEOSA-N 1 3 301.434 2.753 20 0 DFADHO CC(C)[C@H](O)CC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000165399587 145230804 /nfs/dbraw/zinc/23/08/04/145230804.db2.gz VSMLWOOKLWWWGN-MAUKXSAKSA-N 1 3 308.466 2.685 20 0 DFADHO CC(C)C[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000165920912 145232920 /nfs/dbraw/zinc/23/29/20/145232920.db2.gz JRLYYZSYESRKRV-KRWDZBQOSA-N 1 3 303.450 2.637 20 0 DFADHO C[C@H]1C[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)CC[N@@H+]1C ZINC000167463926 145240560 /nfs/dbraw/zinc/24/05/60/145240560.db2.gz UAVYRYWUCMWJMH-BFHYXJOUSA-N 1 3 309.404 2.616 20 0 DFADHO C[C@H]1C[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)CC[N@H+]1C ZINC000167463926 145240562 /nfs/dbraw/zinc/24/05/62/145240562.db2.gz UAVYRYWUCMWJMH-BFHYXJOUSA-N 1 3 309.404 2.616 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000414930184 543327742 /nfs/dbraw/zinc/32/77/42/543327742.db2.gz SPAHTBMKCOAOAT-IMJJTQAJSA-N 1 3 303.450 2.880 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H](N)C2)c1C ZINC000414930184 543327744 /nfs/dbraw/zinc/32/77/44/543327744.db2.gz SPAHTBMKCOAOAT-IMJJTQAJSA-N 1 3 303.450 2.880 20 0 DFADHO C[C@@H](CNCCC[NH3+])Sc1ccc(Br)cc1 ZINC000415083906 543328615 /nfs/dbraw/zinc/32/86/15/543328615.db2.gz GCLILPZUKJNDKT-JTQLQIEISA-N 1 3 303.269 2.868 20 0 DFADHO C[C@@H](C[NH2+]CCCN)Sc1ccc(Br)cc1 ZINC000415083906 543328618 /nfs/dbraw/zinc/32/86/18/543328618.db2.gz GCLILPZUKJNDKT-JTQLQIEISA-N 1 3 303.269 2.868 20 0 DFADHO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000174384433 145377463 /nfs/dbraw/zinc/37/74/63/145377463.db2.gz OPCJRHCYFFSIPJ-XWTMOSNGSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNCc2c3c(nn2C)CCCC3)C1 ZINC000631042660 399967829 /nfs/dbraw/zinc/96/78/29/399967829.db2.gz KWNGANBLGBALIS-MRXNPFEDSA-N 1 3 318.509 2.901 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2c3c(nn2C)CCCC3)C1 ZINC000631042660 399967830 /nfs/dbraw/zinc/96/78/30/399967830.db2.gz KWNGANBLGBALIS-MRXNPFEDSA-N 1 3 318.509 2.901 20 0 DFADHO O=c1ccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000631055710 399970572 /nfs/dbraw/zinc/97/05/72/399970572.db2.gz DZGSPKXVNFYKIE-SFHVURJKSA-N 1 3 311.429 2.789 20 0 DFADHO O=c1ccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000631055710 399970574 /nfs/dbraw/zinc/97/05/74/399970574.db2.gz DZGSPKXVNFYKIE-SFHVURJKSA-N 1 3 311.429 2.789 20 0 DFADHO Cc1cc(C)c(/C=C/C[NH2+]CC2(O)CCN(C)CC2)cc1C ZINC000631078737 399976277 /nfs/dbraw/zinc/97/62/77/399976277.db2.gz XGDFVUDESNCRHH-AATRIKPKSA-N 1 3 302.462 2.671 20 0 DFADHO C[NH+](C)C1CCC(NCc2ccncc2Br)CC1 ZINC000631162097 399993249 /nfs/dbraw/zinc/99/32/49/399993249.db2.gz XVTUUFDNLOZHNJ-UHFFFAOYSA-N 1 3 312.255 2.807 20 0 DFADHO Cc1ccc([C@H](C)C[NH+]2CCC(N(C)C[C@H](C)O)CC2)cc1 ZINC000628165772 399994920 /nfs/dbraw/zinc/99/49/20/399994920.db2.gz LSENEHQLMFOKTO-SJORKVTESA-N 1 3 304.478 2.876 20 0 DFADHO CC(=O)Nc1cccc(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000631179829 399997474 /nfs/dbraw/zinc/99/74/74/399997474.db2.gz XYQZGQWHCBBTCU-UHFFFAOYSA-N 1 3 315.461 2.857 20 0 DFADHO Cc1ccc([C@@H](C)C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000628214880 400002887 /nfs/dbraw/zinc/00/28/87/400002887.db2.gz QIYPKZNECNFXPH-HKUYNNGSSA-N 1 3 315.505 2.857 20 0 DFADHO Cc1ccc([C@H](C)C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000628261455 400010224 /nfs/dbraw/zinc/01/02/24/400010224.db2.gz WZSCQUVRZHRHCU-QGZVFWFLSA-N 1 3 303.494 2.714 20 0 DFADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631601750 400057279 /nfs/dbraw/zinc/05/72/79/400057279.db2.gz VKJGFHHWQLKSBM-FJIDUMEYSA-N 1 3 306.494 2.902 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@@H](O)C(F)F)CC1 ZINC000631696890 400067801 /nfs/dbraw/zinc/06/78/01/400067801.db2.gz ILRRNUIPJRJVHW-VHDGCEQUSA-N 1 3 304.425 2.635 20 0 DFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000631696890 400067802 /nfs/dbraw/zinc/06/78/02/400067802.db2.gz ILRRNUIPJRJVHW-VHDGCEQUSA-N 1 3 304.425 2.635 20 0 DFADHO C[NH+](C)CC1CCN(Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425404078 296578012 /nfs/dbraw/zinc/57/80/12/296578012.db2.gz JDJVEVXEGUDCHU-UHFFFAOYSA-N 1 3 310.445 2.917 20 0 DFADHO C[C@H](NCCOCC[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000231786778 146016692 /nfs/dbraw/zinc/01/66/92/146016692.db2.gz PBPBLJWSEPQUJE-LBPRGKRZSA-N 1 3 302.365 2.517 20 0 DFADHO CCCC[C@@H](N)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000236730526 146024901 /nfs/dbraw/zinc/02/49/01/146024901.db2.gz VDRRTYMKUBSXND-GOSISDBHSA-N 1 3 317.477 2.593 20 0 DFADHO CCCC[C@@H](N)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000236733289 146026256 /nfs/dbraw/zinc/02/62/56/146026256.db2.gz WUXZOTDWEKEAJX-GDBMZVCRSA-N 1 3 305.466 2.750 20 0 DFADHO CCCC[C@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000236791762 146027178 /nfs/dbraw/zinc/02/71/78/146027178.db2.gz FJIHXHYSUQXIMB-INIZCTEOSA-N 1 3 323.506 2.594 20 0 DFADHO C[C@H]1C[C@@H](N(C)C(=O)CC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000237638662 146049018 /nfs/dbraw/zinc/04/90/18/146049018.db2.gz MSJCBFGLZRXRNE-RDJZCZTQSA-N 1 3 317.477 2.625 20 0 DFADHO C[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1[C@H](C)CC[C@H]1C ZINC000245203773 146063644 /nfs/dbraw/zinc/06/36/44/146063644.db2.gz WARZNWOGQJTGIJ-MGPQQGTHSA-N 1 3 309.498 2.673 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H]2COC3(CCCCCC3)O2)[C@@H](C)C1 ZINC000245559489 146084047 /nfs/dbraw/zinc/08/40/47/146084047.db2.gz IEWSMTKMAHNYPT-BBWFWOEESA-N 1 3 310.482 2.772 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H]2COC3(CCCCCC3)O2)[C@@H](C)C1 ZINC000245559489 146084049 /nfs/dbraw/zinc/08/40/49/146084049.db2.gz IEWSMTKMAHNYPT-BBWFWOEESA-N 1 3 310.482 2.772 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC[C@H]2CCOC2=O)CC1 ZINC000246116837 146121229 /nfs/dbraw/zinc/12/12/29/146121229.db2.gz YDTPKDKEJARDJA-AEFFLSMTSA-N 1 3 322.493 2.916 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CC[C@H]2CCOC2=O)CC1 ZINC000246116837 146121230 /nfs/dbraw/zinc/12/12/30/146121230.db2.gz YDTPKDKEJARDJA-AEFFLSMTSA-N 1 3 322.493 2.916 20 0 DFADHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000246296676 146136450 /nfs/dbraw/zinc/13/64/50/146136450.db2.gz VAUCDQIUWGMREL-WMLDXEAASA-N 1 3 318.465 2.598 20 0 DFADHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000246296676 146136452 /nfs/dbraw/zinc/13/64/52/146136452.db2.gz VAUCDQIUWGMREL-WMLDXEAASA-N 1 3 318.465 2.598 20 0 DFADHO CCN1CC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000246298473 146136884 /nfs/dbraw/zinc/13/68/84/146136884.db2.gz CXQYCXXTEUXKST-QFBILLFUSA-N 1 3 316.493 2.618 20 0 DFADHO C[C@@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000247075774 146161025 /nfs/dbraw/zinc/16/10/25/146161025.db2.gz QLWADWUUINJXJH-WWNBULGVSA-N 1 3 315.505 2.752 20 0 DFADHO C[C@@H](CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000247075774 146161028 /nfs/dbraw/zinc/16/10/28/146161028.db2.gz QLWADWUUINJXJH-WWNBULGVSA-N 1 3 315.505 2.752 20 0 DFADHO C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)N1[C@@H](C)CC[C@@H]1C ZINC000249749644 146205928 /nfs/dbraw/zinc/20/59/28/146205928.db2.gz QBPHECZQDSFGSZ-QZWWFDLISA-N 1 3 309.498 2.628 20 0 DFADHO C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)N1[C@@H](C)CC[C@@H]1C ZINC000249749644 146205930 /nfs/dbraw/zinc/20/59/30/146205930.db2.gz QBPHECZQDSFGSZ-QZWWFDLISA-N 1 3 309.498 2.628 20 0 DFADHO C[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)N1[C@H](C)CC[C@H]1C ZINC000249924435 146209142 /nfs/dbraw/zinc/20/91/42/146209142.db2.gz ZOJGLONJNCPBTL-KURKYZTESA-N 1 3 323.525 2.876 20 0 DFADHO OCCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000250095563 146210535 /nfs/dbraw/zinc/21/05/35/146210535.db2.gz QSOUVRMGXCVXPX-IPMKNSEASA-N 1 3 314.473 2.649 20 0 DFADHO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(OCCN(C)C)cc1 ZINC000251516002 146213245 /nfs/dbraw/zinc/21/32/45/146213245.db2.gz CJMHACVAQXSVFY-WQANXHIZSA-N 1 3 318.461 2.845 20 0 DFADHO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(OCCN(C)C)cc1 ZINC000251515997 146213789 /nfs/dbraw/zinc/21/37/89/146213789.db2.gz CJMHACVAQXSVFY-FZDIXFNVSA-N 1 3 318.461 2.845 20 0 DFADHO c1ccc(CN2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261546039 146239046 /nfs/dbraw/zinc/23/90/46/146239046.db2.gz KPSBTPMYNTZFPN-ZGXWSNOMSA-N 1 3 313.489 2.771 20 0 DFADHO c1ccc(CN2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261546036 146239825 /nfs/dbraw/zinc/23/98/25/146239825.db2.gz KPSBTPMYNTZFPN-LWYYNNOASA-N 1 3 313.489 2.771 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc2c(c1)OCCO2 ZINC000261742344 146269020 /nfs/dbraw/zinc/26/90/20/146269020.db2.gz OBGBAERQWDZTJN-NVXWUHKLSA-N 1 3 318.461 2.901 20 0 DFADHO Cc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261817042 146281424 /nfs/dbraw/zinc/28/14/24/146281424.db2.gz IBDITNVLLNRCGJ-SNRMKQJTSA-N 1 3 310.445 2.565 20 0 DFADHO [NH3+]C[C@@H]1CN(Cc2ccc3c(c2)CCO3)C[C@H]1c1ccccc1 ZINC000261824229 146282624 /nfs/dbraw/zinc/28/26/24/146282624.db2.gz YCSHTBQPGNIRNV-MOPGFXCFSA-N 1 3 308.425 2.796 20 0 DFADHO Cn1cc(-c2ccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)s2)cn1 ZINC000261825352 146283568 /nfs/dbraw/zinc/28/35/68/146283568.db2.gz IRBOFPDDHKSCKN-APHBMKBZSA-N 1 3 316.474 2.708 20 0 DFADHO COc1ccc(OC)c(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000261837412 146285974 /nfs/dbraw/zinc/28/59/74/146285974.db2.gz CEQDUVHTQBWQMY-KRWDZBQOSA-N 1 3 304.434 2.668 20 0 DFADHO CN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000261881827 146295378 /nfs/dbraw/zinc/29/53/78/146295378.db2.gz RCOHASOUYKRSHB-FGTMMUONSA-N 1 3 306.425 2.977 20 0 DFADHO CC[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261892520 146296224 /nfs/dbraw/zinc/29/62/24/146296224.db2.gz UEJLUGIUWXMUPT-MOPGFXCFSA-N 1 3 301.478 2.582 20 0 DFADHO CCN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261909158 146300018 /nfs/dbraw/zinc/30/00/18/146300018.db2.gz XTBROZYCHWGAMW-MOPGFXCFSA-N 1 3 301.478 2.582 20 0 DFADHO C[C@@]1(CN2CCN(Cc3ccccc3)C(C)(C)C2)CC[NH2+]C1 ZINC000261911250 146300132 /nfs/dbraw/zinc/30/01/32/146300132.db2.gz YHFHZLHHOKVALY-LJQANCHMSA-N 1 3 301.478 2.582 20 0 DFADHO COc1ccc(CN2CCC3(C2)CC[NH2+]CC3)c(Cl)c1OC ZINC000261923429 146302604 /nfs/dbraw/zinc/30/26/04/146302604.db2.gz BXQHORILFWROML-UHFFFAOYSA-N 1 3 324.852 2.933 20 0 DFADHO Clc1cc(CN2CCC3(C2)CC[NH2+]CC3)cc2c1OCCO2 ZINC000262005260 146321312 /nfs/dbraw/zinc/32/13/12/146321312.db2.gz LRZHSFXMBHJSLX-UHFFFAOYSA-N 1 3 322.836 2.687 20 0 DFADHO COc1cc2c(c(CN3CCC4(C3)CC[NH2+]CC4)c1)O[C@H](C)C2 ZINC000262010732 146322360 /nfs/dbraw/zinc/32/23/60/146322360.db2.gz MFAPIACHISODNN-CQSZACIVSA-N 1 3 316.445 2.594 20 0 DFADHO Cc1ccc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000262052673 146327629 /nfs/dbraw/zinc/32/76/29/146327629.db2.gz ZTXLJFSFASGOTE-CVEARBPZSA-N 1 3 312.461 2.955 20 0 DFADHO c1ccc2c(c1)C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)O2 ZINC000262326100 146351385 /nfs/dbraw/zinc/35/13/85/146351385.db2.gz RQDNJUXMYZZKBZ-BRSBDYLESA-N 1 3 300.446 2.891 20 0 DFADHO CC[C@H]1CCCCN1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262352479 146353749 /nfs/dbraw/zinc/35/37/49/146353749.db2.gz UPGBRXWQKPEXNW-MTCSXPRVSA-N 1 3 321.509 2.521 20 0 DFADHO C[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])N1CCCC[C@@H]1C ZINC000262437176 146360145 /nfs/dbraw/zinc/36/01/45/146360145.db2.gz ULSUREPAFGNAGS-GPNCCUPLSA-N 1 3 321.509 2.519 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000262515322 146367094 /nfs/dbraw/zinc/36/70/94/146367094.db2.gz NJZCTPBSGBARIK-QGZVFWFLSA-N 1 3 309.498 2.615 20 0 DFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)C1(N)CCCC1)c1ccccc1 ZINC000262638680 146379964 /nfs/dbraw/zinc/37/99/64/146379964.db2.gz JETQGNCTOSKYCY-CQSZACIVSA-N 1 3 303.450 2.504 20 0 DFADHO CCC[C@](C)(N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000262698419 146383182 /nfs/dbraw/zinc/38/31/82/146383182.db2.gz FWHGPAMVHZLZLM-WMZOPIPTSA-N 1 3 309.498 2.619 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000354928574 147198275 /nfs/dbraw/zinc/19/82/75/147198275.db2.gz GLBXEKYLVWGJED-WCXIOVBPSA-N 1 3 309.498 2.628 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000354928574 147198277 /nfs/dbraw/zinc/19/82/77/147198277.db2.gz GLBXEKYLVWGJED-WCXIOVBPSA-N 1 3 309.498 2.628 20 0 DFADHO C[C@@H](CC(C)(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000355286659 147252682 /nfs/dbraw/zinc/25/26/82/147252682.db2.gz GRVVWUTWPRTZBE-HNNXBMFYSA-N 1 3 323.525 2.734 20 0 DFADHO COc1cccc(C[C@H](C)NC2CC([NH+]3CCCCC3)C2)n1 ZINC000355594574 147377588 /nfs/dbraw/zinc/37/75/88/147377588.db2.gz AIFHEZDHPNLIOA-OOHWJJMZSA-N 1 3 303.450 2.628 20 0 DFADHO COc1cc2c(c(CNCC3(C)CC[NH+](C)CC3)c1)O[C@H](C)C2 ZINC000355780414 147447473 /nfs/dbraw/zinc/44/74/73/147447473.db2.gz WCKSMDPLQPSVCX-CQSZACIVSA-N 1 3 318.461 2.840 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000357629166 148063735 /nfs/dbraw/zinc/06/37/35/148063735.db2.gz DLHCAKAKZWVCEQ-HZPDHXFCSA-N 1 3 311.514 2.780 20 0 DFADHO C[C@H](C(=O)NCCC[NH+]1CCCCCC1)N1CCCCCC1 ZINC000357836112 148143591 /nfs/dbraw/zinc/14/35/91/148143591.db2.gz UYXLHLJTOHBGSV-QGZVFWFLSA-N 1 3 309.498 2.633 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000623563634 543484935 /nfs/dbraw/zinc/48/49/35/543484935.db2.gz FFKFCFCJEDZTPX-WBCYEJBOSA-N 1 3 314.473 2.777 20 0 DFADHO CC[C@H]([NH2+]CC(C)(C)CN1CCCC1)C1(C(=O)OC)CCC1 ZINC000357851978 148149742 /nfs/dbraw/zinc/14/97/42/148149742.db2.gz OKPGHUZNCABFJB-HNNXBMFYSA-N 1 3 310.482 2.820 20 0 DFADHO COCCC1(CNCc2cc(C3CC[NH2+]CC3)no2)CCCC1 ZINC000425892865 296602994 /nfs/dbraw/zinc/60/29/94/296602994.db2.gz BVYWDXQCRYKWBC-UHFFFAOYSA-N 1 3 321.465 2.828 20 0 DFADHO c1c(CNC[C@@H]2[C@@H]3c4ccccc4C[C@@H]32)onc1C1CC[NH2+]CC1 ZINC000425894107 296603030 /nfs/dbraw/zinc/60/30/30/296603030.db2.gz FYBPVLWEPFZTPA-WSTZPKSXSA-N 1 3 323.440 2.817 20 0 DFADHO Cc1nc(C)c(CCNCc2cc(C3CC[NH2+]CC3)no2)s1 ZINC000425898935 296603169 /nfs/dbraw/zinc/60/31/69/296603169.db2.gz JWIAPMTYNUTAPG-UHFFFAOYSA-N 1 3 320.462 2.547 20 0 DFADHO c1c(CN[C@@H]2C[C@H]2Cc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425904475 296603821 /nfs/dbraw/zinc/60/38/21/296603821.db2.gz YSJFJCOLYNMNBY-SJLPKXTDSA-N 1 3 311.429 2.862 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000358193440 148280325 /nfs/dbraw/zinc/28/03/25/148280325.db2.gz YLYZLFMNWUXMJX-FUHWJXTLSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000358193440 148280333 /nfs/dbraw/zinc/28/03/33/148280333.db2.gz YLYZLFMNWUXMJX-FUHWJXTLSA-N 1 3 321.509 2.584 20 0 DFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)cc1C ZINC000358521712 148382366 /nfs/dbraw/zinc/38/23/66/148382366.db2.gz YOQDHTMCHANGLI-INIZCTEOSA-N 1 3 315.461 2.706 20 0 DFADHO CN(CCCc1ccsc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000361086917 149025702 /nfs/dbraw/zinc/02/57/02/149025702.db2.gz PVSSCDPJVBVJQX-UHFFFAOYSA-N 1 3 309.523 2.639 20 0 DFADHO CN(CCCc1ccsc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000361086917 149025704 /nfs/dbraw/zinc/02/57/04/149025704.db2.gz PVSSCDPJVBVJQX-UHFFFAOYSA-N 1 3 309.523 2.639 20 0 DFADHO Cc1ccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)s1 ZINC000361345600 149091854 /nfs/dbraw/zinc/09/18/54/149091854.db2.gz JRSUBZSCKJKVDL-AWEZNQCLSA-N 1 3 323.506 2.650 20 0 DFADHO Cc1ccsc1[C@H](C)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361354207 149094690 /nfs/dbraw/zinc/09/46/90/149094690.db2.gz DSKQBQLADUPBOZ-AWEZNQCLSA-N 1 3 323.506 2.650 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361596587 149162202 /nfs/dbraw/zinc/16/22/02/149162202.db2.gz UCLPKOITFKYKCG-WOJBJXKFSA-N 1 3 316.489 2.788 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361596587 149162206 /nfs/dbraw/zinc/16/22/06/149162206.db2.gz UCLPKOITFKYKCG-WOJBJXKFSA-N 1 3 316.489 2.788 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361596587 149162209 /nfs/dbraw/zinc/16/22/09/149162209.db2.gz UCLPKOITFKYKCG-WOJBJXKFSA-N 1 3 316.489 2.788 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361596587 149162212 /nfs/dbraw/zinc/16/22/12/149162212.db2.gz UCLPKOITFKYKCG-WOJBJXKFSA-N 1 3 316.489 2.788 20 0 DFADHO OC1(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000361685817 149192058 /nfs/dbraw/zinc/19/20/58/149192058.db2.gz GPPQGRJBRPAVDX-RBUKOAKNSA-N 1 3 314.473 2.888 20 0 DFADHO OC1(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000361685817 149192060 /nfs/dbraw/zinc/19/20/60/149192060.db2.gz GPPQGRJBRPAVDX-RBUKOAKNSA-N 1 3 314.473 2.888 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]2(F)CCNC2)cc1 ZINC000361719443 149200201 /nfs/dbraw/zinc/20/02/01/149200201.db2.gz SYNLSYIDGTVYJV-KDOFPFPSSA-N 1 3 319.424 2.701 20 0 DFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2(F)CCNC2)cc1 ZINC000361719443 149200204 /nfs/dbraw/zinc/20/02/04/149200204.db2.gz SYNLSYIDGTVYJV-KDOFPFPSSA-N 1 3 319.424 2.701 20 0 DFADHO CN1CCC[C@@H](CNC(=O)C2([NH3+])CCCC2)[C@H]1c1cccs1 ZINC000361717085 149201003 /nfs/dbraw/zinc/20/10/03/149201003.db2.gz APHFMKODIRFGNK-ZFWWWQNUSA-N 1 3 321.490 2.519 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000361725885 149202791 /nfs/dbraw/zinc/20/27/91/149202791.db2.gz GLNSDMYWKQIJGG-PBHICJAKSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H](CNC(=O)c1ccccc1CN(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000362563541 149309195 /nfs/dbraw/zinc/30/91/95/149309195.db2.gz AAWGOWOADISEQY-JKSUJKDBSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@H](CNC(=O)c1ccccc1CN(C)C)[N@H+]1CCCC[C@@H]1C ZINC000362563541 149309198 /nfs/dbraw/zinc/30/91/98/149309198.db2.gz AAWGOWOADISEQY-JKSUJKDBSA-N 1 3 317.477 2.741 20 0 DFADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000362627144 149327931 /nfs/dbraw/zinc/32/79/31/149327931.db2.gz MLNDQCQBRCVMDZ-SJORKVTESA-N 1 3 311.514 2.589 20 0 DFADHO Cc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000362637916 149329721 /nfs/dbraw/zinc/32/97/21/149329721.db2.gz GKSDCLQPRUWDED-QGZVFWFLSA-N 1 3 301.478 2.595 20 0 DFADHO Cc1ccccc1CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362720214 149350500 /nfs/dbraw/zinc/35/05/00/149350500.db2.gz TZBJYGQLYOPBIN-LJQANCHMSA-N 1 3 301.478 2.595 20 0 DFADHO Cc1ccccc1CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000362720214 149350504 /nfs/dbraw/zinc/35/05/04/149350504.db2.gz TZBJYGQLYOPBIN-LJQANCHMSA-N 1 3 301.478 2.595 20 0 DFADHO C[C@@H](CNC(=O)c1ccccc1CN(C)C)[NH+]1CCC(C)CC1 ZINC000362732038 149353160 /nfs/dbraw/zinc/35/31/60/149353160.db2.gz CHFLWOVXURZKEO-INIZCTEOSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(F)cc1OC(F)F ZINC000351501071 286137099 /nfs/dbraw/zinc/13/70/99/286137099.db2.gz IDQYVQRFGGRTIQ-NSHDSACASA-N 1 3 320.355 2.656 20 0 DFADHO C[C@H](NCCOCC[NH+](C)C)c1ccccc1OC(F)(F)F ZINC000351502448 286137763 /nfs/dbraw/zinc/13/77/63/286137763.db2.gz LFBPYFYYPVCVCM-LBPRGKRZSA-N 1 3 320.355 2.814 20 0 DFADHO Cc1nccn1CCCN1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371196482 150001326 /nfs/dbraw/zinc/00/13/26/150001326.db2.gz DVUXSRWPNXAPMS-GOSISDBHSA-N 1 3 304.482 2.780 20 0 DFADHO Cc1nccn1CCC[N@@H+]1CCC[C@H](CN2CCCCC2)C1 ZINC000371196482 150001329 /nfs/dbraw/zinc/00/13/29/150001329.db2.gz DVUXSRWPNXAPMS-GOSISDBHSA-N 1 3 304.482 2.780 20 0 DFADHO Cc1nccn1CCC[N@H+]1CCC[C@H](CN2CCCCC2)C1 ZINC000371196482 150001332 /nfs/dbraw/zinc/00/13/32/150001332.db2.gz DVUXSRWPNXAPMS-GOSISDBHSA-N 1 3 304.482 2.780 20 0 DFADHO CC(C)(C)NC(=[NH2+])NCC1CCN(Cc2ccccc2F)CC1 ZINC000371878874 150107114 /nfs/dbraw/zinc/10/71/14/150107114.db2.gz XRYCFDTUJGVNFJ-UHFFFAOYSA-N 1 3 320.456 2.950 20 0 DFADHO Cc1nnc([C@H]2CC23CC[NH+](CCCN2CCCCC2)CC3)o1 ZINC000372460845 150175398 /nfs/dbraw/zinc/17/53/98/150175398.db2.gz VKERAQRRVMKUJM-MRXNPFEDSA-N 1 3 318.465 2.824 20 0 DFADHO C[C@H]1C[C@@H](C[NH2+][C@@H]2CCN(C)[C@H](C)C2)CN1Cc1ccccc1 ZINC000374526374 150373362 /nfs/dbraw/zinc/37/33/62/150373362.db2.gz HLYQEZASWQDCAL-LCLWPZTBSA-N 1 3 315.505 2.969 20 0 DFADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@H](C)N1CCCCCC1 ZINC000351793019 286219504 /nfs/dbraw/zinc/21/95/04/286219504.db2.gz ZTSCLSMYAKWNAT-KRWDZBQOSA-N 1 3 309.498 2.585 20 0 DFADHO CCN(CCC[NH+](CC)CC)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000351803681 286222424 /nfs/dbraw/zinc/22/24/24/286222424.db2.gz GAOAWUILJCBCOA-ULQDDVLXSA-N 1 3 311.514 2.828 20 0 DFADHO C[C@H](F)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351886212 286237400 /nfs/dbraw/zinc/23/74/00/286237400.db2.gz CESJXVHHOGPYCI-HRCADAONSA-N 1 3 300.462 2.946 20 0 DFADHO [NH3+]CC[C@@H]1CCCCN1CCCc1nc(-c2ccccc2)no1 ZINC000352504848 286391394 /nfs/dbraw/zinc/39/13/94/286391394.db2.gz VKFSIURTFDNXKD-INIZCTEOSA-N 1 3 314.433 2.873 20 0 DFADHO NCCC[N@H+](CCC(=O)Nc1ccc(F)cc1)CC1CCCC1 ZINC000352487476 286385954 /nfs/dbraw/zinc/38/59/54/286385954.db2.gz FJXXARIHISNHRS-UHFFFAOYSA-N 1 3 321.440 2.995 20 0 DFADHO NCCC[N@@H+](CCC(=O)Nc1ccc(F)cc1)CC1CCCC1 ZINC000352487476 286385955 /nfs/dbraw/zinc/38/59/55/286385955.db2.gz FJXXARIHISNHRS-UHFFFAOYSA-N 1 3 321.440 2.995 20 0 DFADHO [NH3+]CCCN(CCC(=O)Nc1ccc(F)cc1)CC1CCCC1 ZINC000352487476 286385956 /nfs/dbraw/zinc/38/59/56/286385956.db2.gz FJXXARIHISNHRS-UHFFFAOYSA-N 1 3 321.440 2.995 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccccc1N(C)C ZINC000093946829 286443142 /nfs/dbraw/zinc/44/31/42/286443142.db2.gz VRUMOYJUZJYGME-HZPDHXFCSA-N 1 3 307.482 2.760 20 0 DFADHO NC1(C(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)CCCCC1 ZINC000237887195 158079405 /nfs/dbraw/zinc/07/94/05/158079405.db2.gz PVHAAKOXNCTQMF-INIZCTEOSA-N 1 3 307.482 2.515 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)[C@H]1CCCO1 ZINC000246823970 158100769 /nfs/dbraw/zinc/10/07/69/158100769.db2.gz BIAXOSAJVPJZME-HDMKZQKVSA-N 1 3 306.450 2.845 20 0 DFADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000247039150 158115481 /nfs/dbraw/zinc/11/54/81/158115481.db2.gz RBNYWZUHCKAIMQ-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000247039150 158115484 /nfs/dbraw/zinc/11/54/84/158115484.db2.gz RBNYWZUHCKAIMQ-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000247039150 158115488 /nfs/dbraw/zinc/11/54/88/158115488.db2.gz RBNYWZUHCKAIMQ-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000247039150 158115489 /nfs/dbraw/zinc/11/54/89/158115489.db2.gz RBNYWZUHCKAIMQ-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO CCN1CC[C@@H]([NH2+]CCCN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000248029092 158157343 /nfs/dbraw/zinc/15/73/43/158157343.db2.gz PYTUJFAAPAAOBP-PKOBYXMFSA-N 1 3 303.494 2.828 20 0 DFADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000248062008 158158856 /nfs/dbraw/zinc/15/88/56/158158856.db2.gz LWQYLQOBSVKJIO-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000248062008 158158859 /nfs/dbraw/zinc/15/88/59/158158859.db2.gz LWQYLQOBSVKJIO-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000248062008 158158861 /nfs/dbraw/zinc/15/88/61/158158861.db2.gz LWQYLQOBSVKJIO-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000248062008 158158865 /nfs/dbraw/zinc/15/88/65/158158865.db2.gz LWQYLQOBSVKJIO-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO COc1ccsc1[C@@H](C)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000248654258 158194690 /nfs/dbraw/zinc/19/46/90/158194690.db2.gz ZIVQJTXAKVPTCM-KGLIPLIRSA-N 1 3 312.479 2.644 20 0 DFADHO COc1ccsc1[C@@H](C)NCCCC[N@H+]1CCC[C@H]1CO ZINC000248654258 158194693 /nfs/dbraw/zinc/19/46/93/158194693.db2.gz ZIVQJTXAKVPTCM-KGLIPLIRSA-N 1 3 312.479 2.644 20 0 DFADHO CCN(CCn1ccnc1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355028829 158256308 /nfs/dbraw/zinc/25/63/08/158256308.db2.gz SQTDMPZKYVNKEL-LJQANCHMSA-N 1 3 312.461 2.788 20 0 DFADHO CCN(CCn1ccnc1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355028829 158256312 /nfs/dbraw/zinc/25/63/12/158256312.db2.gz SQTDMPZKYVNKEL-LJQANCHMSA-N 1 3 312.461 2.788 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+]CC2(C(F)F)CC2)CC1 ZINC000355173733 158290116 /nfs/dbraw/zinc/29/01/16/158290116.db2.gz YVMNTJVDPABZME-UHFFFAOYSA-N 1 3 323.431 2.963 20 0 DFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CC1(O)CCC1 ZINC000357039807 158354589 /nfs/dbraw/zinc/35/45/89/158354589.db2.gz OBAPFNFQHAHETN-UHFFFAOYSA-N 1 3 303.450 2.535 20 0 DFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CC1(O)CCC1 ZINC000357039807 158354591 /nfs/dbraw/zinc/35/45/91/158354591.db2.gz OBAPFNFQHAHETN-UHFFFAOYSA-N 1 3 303.450 2.535 20 0 DFADHO COCCOc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357040767 158354653 /nfs/dbraw/zinc/35/46/53/158354653.db2.gz CFBZHOBAWQCHFU-SFHVURJKSA-N 1 3 318.461 2.533 20 0 DFADHO c1csc(-c2n[nH]cc2CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357045241 158355866 /nfs/dbraw/zinc/35/58/66/158355866.db2.gz HVHHMOGSNFUMTA-CQSZACIVSA-N 1 3 316.474 2.960 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000358297855 158370276 /nfs/dbraw/zinc/37/02/76/158370276.db2.gz KKWXCGJQRZBYGO-INMHGKMJSA-N 1 3 306.450 2.845 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358383515 158373962 /nfs/dbraw/zinc/37/39/62/158373962.db2.gz JPLFFGGVGFMBON-INIZCTEOSA-N 1 3 309.498 2.655 20 0 DFADHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(C)ccc1OC ZINC000271553586 286904137 /nfs/dbraw/zinc/90/41/37/286904137.db2.gz MUYYRPUTGCWYRP-MRXNPFEDSA-N 1 3 306.450 2.501 20 0 DFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1F ZINC000268929652 287022355 /nfs/dbraw/zinc/02/23/55/287022355.db2.gz QIZKNDCRPYBYOJ-UKRRQHHQSA-N 1 3 312.404 2.852 20 0 DFADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1F ZINC000268929652 287022357 /nfs/dbraw/zinc/02/23/57/287022357.db2.gz QIZKNDCRPYBYOJ-UKRRQHHQSA-N 1 3 312.404 2.852 20 0 DFADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000366821292 287107917 /nfs/dbraw/zinc/10/79/17/287107917.db2.gz IBSPYXAPSAEVRR-ZMMAXQRCSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000314587248 287268439 /nfs/dbraw/zinc/26/84/39/287268439.db2.gz DTAUIBKZRRIWLM-MGPQQGTHSA-N 1 3 308.388 2.950 20 0 DFADHO OC1CCN(Cc2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)CC1 ZINC000132639863 196272931 /nfs/dbraw/zinc/27/29/31/196272931.db2.gz UWUAOSDYYIETRZ-UHFFFAOYSA-N 1 3 314.473 2.922 20 0 DFADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000133092818 196311269 /nfs/dbraw/zinc/31/12/69/196311269.db2.gz LLQYDUHVQDMVGE-CABCVRRESA-N 1 3 306.425 2.977 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000289798010 287321528 /nfs/dbraw/zinc/32/15/28/287321528.db2.gz YYXGQAPDGFNPOZ-SQNIBIBYSA-N 1 3 317.477 2.574 20 0 DFADHO Cc1ncc(CN2CCC(CCC[NH+]3CCCC3)CC2)n1C ZINC000667680638 543658672 /nfs/dbraw/zinc/65/86/72/543658672.db2.gz MNTXCLATYHBHOY-UHFFFAOYSA-N 1 3 304.482 2.817 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cccc(CN)c2)CC1 ZINC000667731012 543668346 /nfs/dbraw/zinc/66/83/46/543668346.db2.gz JDVPBHYDCKYQGI-UHFFFAOYSA-N 1 3 318.465 2.729 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cccc(CN)c2)CC1 ZINC000667731012 543668347 /nfs/dbraw/zinc/66/83/47/543668347.db2.gz JDVPBHYDCKYQGI-UHFFFAOYSA-N 1 3 318.465 2.729 20 0 DFADHO CCN(CCC[NH+](CC)CC)C[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000668165365 543756105 /nfs/dbraw/zinc/75/61/05/543756105.db2.gz VUUPGXPBXHCGMW-FUHWJXTLSA-N 1 3 322.497 2.552 20 0 DFADHO CCN(CC)CCC[N@H+](CC)C[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000668165365 543756109 /nfs/dbraw/zinc/75/61/09/543756109.db2.gz VUUPGXPBXHCGMW-FUHWJXTLSA-N 1 3 322.497 2.552 20 0 DFADHO CCN(CC)CCC[N@@H+](CC)C[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000668165365 543756111 /nfs/dbraw/zinc/75/61/11/543756111.db2.gz VUUPGXPBXHCGMW-FUHWJXTLSA-N 1 3 322.497 2.552 20 0 DFADHO COC[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000668188414 543762962 /nfs/dbraw/zinc/76/29/62/543762962.db2.gz HQDOUXKRGYYVOP-APWZRJJASA-N 1 3 318.461 2.628 20 0 DFADHO COC[C@@H](C)Oc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000668188414 543762965 /nfs/dbraw/zinc/76/29/65/543762965.db2.gz HQDOUXKRGYYVOP-APWZRJJASA-N 1 3 318.461 2.628 20 0 DFADHO CO[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000668712179 543851775 /nfs/dbraw/zinc/85/17/75/543851775.db2.gz ZSQNSOPIBLKDMG-SFHVURJKSA-N 1 3 303.450 2.845 20 0 DFADHO CC[C@H](Cc1cccs1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000669618858 543976017 /nfs/dbraw/zinc/97/60/17/543976017.db2.gz MWQPZUBIIKWXQW-OAHLLOKOSA-N 1 3 309.523 2.685 20 0 DFADHO C[C@@H]1CN(CCN(C)Cc2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000296691353 226128898 /nfs/dbraw/zinc/12/88/98/226128898.db2.gz JVQHJTSBYDDYKI-QGZVFWFLSA-N 1 3 301.478 2.535 20 0 DFADHO C[C@@H]1CN(CCN(C)Cc2ccccc2)CC[N@H+](C2CC2)C1 ZINC000296691353 226128904 /nfs/dbraw/zinc/12/89/04/226128904.db2.gz JVQHJTSBYDDYKI-QGZVFWFLSA-N 1 3 301.478 2.535 20 0 DFADHO CC(C)(C(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@H](N)c1ccccc1 ZINC000669514647 543958937 /nfs/dbraw/zinc/95/89/37/543958937.db2.gz WNNLMRKLPLEJQT-GOSISDBHSA-N 1 3 323.440 2.632 20 0 DFADHO CC(C)[NH+]1CCC(NC[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000672620446 544143730 /nfs/dbraw/zinc/14/37/30/544143730.db2.gz OZYGCGREAICUEI-HNNXBMFYSA-N 1 3 310.869 2.878 20 0 DFADHO OC[C@@H](CNC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000672619280 544143821 /nfs/dbraw/zinc/14/38/21/544143821.db2.gz LHFMWLHVHBKZBB-MRXNPFEDSA-N 1 3 322.880 2.880 20 0 DFADHO C[NH+](C)[C@H]1CCCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000297364875 227071262 /nfs/dbraw/zinc/07/12/62/227071262.db2.gz GBLCUMWIIFHJSO-OALUTQOASA-N 1 3 301.478 2.677 20 0 DFADHO COc1ccc(F)cc1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000291066801 222111032 /nfs/dbraw/zinc/11/10/32/222111032.db2.gz QLJMTRBDUNXICI-OAHLLOKOSA-N 1 3 306.425 2.998 20 0 DFADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc2c(c1)OCCO2 ZINC000674881182 544273062 /nfs/dbraw/zinc/27/30/62/544273062.db2.gz YPSUUOJRIXKQNF-HOCLYGCPSA-N 1 3 304.434 2.983 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2nccc3ccccc32)CC1 ZINC000675485385 544315358 /nfs/dbraw/zinc/31/53/58/544315358.db2.gz MKDWQKQDKCIHQP-UHFFFAOYSA-N 1 3 313.445 2.560 20 0 DFADHO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000681389767 545636157 /nfs/dbraw/zinc/63/61/57/545636157.db2.gz UGVKAHYCDZKOOZ-KGLIPLIRSA-N 1 3 321.431 2.866 20 0 DFADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000681389771 545636333 /nfs/dbraw/zinc/63/63/33/545636333.db2.gz UGVKAHYCDZKOOZ-ZIAGYGMSSA-N 1 3 321.431 2.866 20 0 DFADHO C[C@@H]1C[C@H](N[C@H](Cc2nccn2C)c2ccccc2)CC[N@@H+]1C ZINC000675920407 544344352 /nfs/dbraw/zinc/34/43/52/544344352.db2.gz KHGDRDNNNFCQQN-KBAYOESNSA-N 1 3 312.461 2.776 20 0 DFADHO C[C@@H]1C[C@H](N[C@H](Cc2nccn2C)c2ccccc2)CC[N@H+]1C ZINC000675920407 544344353 /nfs/dbraw/zinc/34/43/53/544344353.db2.gz KHGDRDNNNFCQQN-KBAYOESNSA-N 1 3 312.461 2.776 20 0 DFADHO CN1CCC[N@H+](CCCNCc2cscc2Cl)CC1 ZINC000676416236 544375738 /nfs/dbraw/zinc/37/57/38/544375738.db2.gz NMIXYXCUJDZOJB-UHFFFAOYSA-N 1 3 301.887 2.519 20 0 DFADHO CN1CCC[N@@H+](CCCNCc2cscc2Cl)CC1 ZINC000676416236 544375740 /nfs/dbraw/zinc/37/57/40/544375740.db2.gz NMIXYXCUJDZOJB-UHFFFAOYSA-N 1 3 301.887 2.519 20 0 DFADHO Cc1nc([C@@H](C)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C)s1 ZINC000676488997 544379240 /nfs/dbraw/zinc/37/92/40/544379240.db2.gz GUSVFLPHEAMKQT-DOMZBBRYSA-N 1 3 322.522 2.579 20 0 DFADHO Cc1nc([C@@H](C)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C)s1 ZINC000676488997 544379242 /nfs/dbraw/zinc/37/92/42/544379242.db2.gz GUSVFLPHEAMKQT-DOMZBBRYSA-N 1 3 322.522 2.579 20 0 DFADHO CCC[C@@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)N(C)C ZINC000677862751 544553418 /nfs/dbraw/zinc/55/34/18/544553418.db2.gz AFPWJWACYSVNJJ-SFHVURJKSA-N 1 3 323.525 2.831 20 0 DFADHO C[C@@H]1C[N@H+](C/C=C\c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000677904574 544563260 /nfs/dbraw/zinc/56/32/60/544563260.db2.gz UWYJDVFHZKYBDF-FBYVNHBUSA-N 1 3 313.489 2.658 20 0 DFADHO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000677904574 544563264 /nfs/dbraw/zinc/56/32/64/544563264.db2.gz UWYJDVFHZKYBDF-FBYVNHBUSA-N 1 3 313.489 2.658 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(N(C)C)nc2)CC1 ZINC000678195311 544618786 /nfs/dbraw/zinc/61/87/86/544618786.db2.gz NUGPMQSOVGSOOJ-UHFFFAOYSA-N 1 3 304.482 2.700 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(N(C)C)nc2)CC1 ZINC000678195311 544618790 /nfs/dbraw/zinc/61/87/90/544618790.db2.gz NUGPMQSOVGSOOJ-UHFFFAOYSA-N 1 3 304.482 2.700 20 0 DFADHO Cc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c(C)n1 ZINC000678426801 544671637 /nfs/dbraw/zinc/67/16/37/544671637.db2.gz IUHMHVQFAHEBEO-DLBZAZTESA-N 1 3 317.477 2.850 20 0 DFADHO Cc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c(C)n1 ZINC000678426803 544671730 /nfs/dbraw/zinc/67/17/30/544671730.db2.gz IUHMHVQFAHEBEO-IRXDYDNUSA-N 1 3 317.477 2.850 20 0 DFADHO OCCCN(Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000678264278 544637756 /nfs/dbraw/zinc/63/77/56/544637756.db2.gz STBXSEZUUMLMTO-UHFFFAOYSA-N 1 3 318.461 2.508 20 0 DFADHO CC(C)[C@H](O)C1(C[NH2+]Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000678969007 544759274 /nfs/dbraw/zinc/75/92/74/544759274.db2.gz XKMKANMNSMCGAQ-SFHVURJKSA-N 1 3 320.477 2.514 20 0 DFADHO CC1(C)[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000679375395 544844217 /nfs/dbraw/zinc/84/42/17/544844217.db2.gz ZOOILHVOWDOXPF-MSOLQXFVSA-N 1 3 302.462 2.922 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC4CSC4)[C@@H]3C2)cc1 ZINC000680334016 544992876 /nfs/dbraw/zinc/99/28/76/544992876.db2.gz KMFBAKVRZGQSCU-JQHSSLGASA-N 1 3 302.487 2.992 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC4CSC4)[C@@H]3C2)cc1 ZINC000680334016 544992879 /nfs/dbraw/zinc/99/28/79/544992879.db2.gz KMFBAKVRZGQSCU-JQHSSLGASA-N 1 3 302.487 2.992 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C4CSC4)[C@@H]3C2)cc1 ZINC000680334016 544992881 /nfs/dbraw/zinc/99/28/81/544992881.db2.gz KMFBAKVRZGQSCU-JQHSSLGASA-N 1 3 302.487 2.992 20 0 DFADHO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccnc2cc(F)ccc21 ZINC000302294215 230209832 /nfs/dbraw/zinc/20/98/32/230209832.db2.gz XCGXBBYVUOUBSD-AWEZNQCLSA-N 1 3 316.424 2.812 20 0 DFADHO CCOc1ccccc1[C@H](C)[NH2+]C[C@H](C)N1CCN(CC)CC1 ZINC000155718124 425925446 /nfs/dbraw/zinc/92/54/46/425925446.db2.gz RYXOCTLRWPDWKD-IRXDYDNUSA-N 1 3 319.493 2.762 20 0 DFADHO OC(CN1CCC[C@@H]1C1CCC1)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000194474492 268105017 /nfs/dbraw/zinc/10/50/17/268105017.db2.gz IYQQASCIZYTHMT-RTBURBONSA-N 1 3 306.494 2.876 20 0 DFADHO OC(CN1CCC[C@@H]1C1CCC1)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000194474492 268105020 /nfs/dbraw/zinc/10/50/20/268105020.db2.gz IYQQASCIZYTHMT-RTBURBONSA-N 1 3 306.494 2.876 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000237060339 268153444 /nfs/dbraw/zinc/15/34/44/268153444.db2.gz FQIKOSSGGUSLQO-SJORKVTESA-N 1 3 303.450 2.984 20 0 DFADHO C[NH+](C)CCOc1cc(CNCc2cccc3cc[nH]c32)ccn1 ZINC000270637693 268194685 /nfs/dbraw/zinc/19/46/85/268194685.db2.gz HHMFWRRVYNUSPM-UHFFFAOYSA-N 1 3 324.428 2.793 20 0 DFADHO CC(C)Oc1ccc([C@@H](O)CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000298363533 268314816 /nfs/dbraw/zinc/31/48/16/268314816.db2.gz KIEGVEMGRSDUJJ-IBGZPJMESA-N 1 3 318.461 2.724 20 0 DFADHO C[C@H](N[C@H]1COCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312993085 268338071 /nfs/dbraw/zinc/33/80/71/268338071.db2.gz YVFDSTWNYWZPFJ-JQHSSLGASA-N 1 3 302.462 2.912 20 0 DFADHO C[C@H](N[C@H]1COCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312993085 268338072 /nfs/dbraw/zinc/33/80/72/268338072.db2.gz YVFDSTWNYWZPFJ-JQHSSLGASA-N 1 3 302.462 2.912 20 0 DFADHO c1cc(CN2CCC(C[NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000111218710 426039605 /nfs/dbraw/zinc/03/96/05/426039605.db2.gz UGUVVLGHURYKRJ-UHFFFAOYSA-N 1 3 300.446 2.929 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000163228657 426093517 /nfs/dbraw/zinc/09/35/17/426093517.db2.gz CRHSPTZXUMDRRK-LSDHHAIUSA-N 1 3 317.433 2.636 20 0 DFADHO CC(C)[C@H](N)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000164558055 426114991 /nfs/dbraw/zinc/11/49/91/426114991.db2.gz PBTTVAIHPLLMGK-KRWDZBQOSA-N 1 3 303.450 2.840 20 0 DFADHO CN(C)C[C@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000113515875 426116588 /nfs/dbraw/zinc/11/65/88/426116588.db2.gz ZMAKKIXMSHAQRJ-CYBMUJFWSA-N 1 3 320.462 2.614 20 0 DFADHO CN(C)C[C@H]1CC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000113515875 426116589 /nfs/dbraw/zinc/11/65/89/426116589.db2.gz ZMAKKIXMSHAQRJ-CYBMUJFWSA-N 1 3 320.462 2.614 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCN(C)CC1)CC2 ZINC000128506450 426120159 /nfs/dbraw/zinc/12/01/59/426120159.db2.gz QHNIGKQYQBXMDS-IBGZPJMESA-N 1 3 301.478 2.600 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)CN1CCCC1 ZINC000165308764 426122155 /nfs/dbraw/zinc/12/21/55/426122155.db2.gz IFDFSSQMXOTJLI-KRWDZBQOSA-N 1 3 301.478 2.977 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000165926402 426124010 /nfs/dbraw/zinc/12/40/10/426124010.db2.gz JUYWWLCILRWDAA-KBXCAEBGSA-N 1 3 321.465 2.652 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000165968238 426124370 /nfs/dbraw/zinc/12/43/70/426124370.db2.gz KEVYACBVXFBXDU-DZGCQCFKSA-N 1 3 312.429 2.842 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cc(F)ccc1F ZINC000165944891 426124423 /nfs/dbraw/zinc/12/44/23/426124423.db2.gz UFGYQDRLLTUIRG-TZMCWYRMSA-N 1 3 300.393 2.972 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CCN1C ZINC000166330821 426127824 /nfs/dbraw/zinc/12/78/24/426127824.db2.gz IYVWDGMMYJXDNR-KVPLUYHFSA-N 1 3 315.505 2.969 20 0 DFADHO CC(C)[NH2+]CCC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000167618943 426133140 /nfs/dbraw/zinc/13/31/40/426133140.db2.gz ILLICDSRTSQVMW-OAHLLOKOSA-N 1 3 305.466 2.620 20 0 DFADHO COCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000167635683 426133323 /nfs/dbraw/zinc/13/33/23/426133323.db2.gz GBOUKCCCKFIMDE-JZXOWHBKSA-N 1 3 320.477 2.839 20 0 DFADHO CCC[C@H](N)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000169090523 426136349 /nfs/dbraw/zinc/13/63/49/426136349.db2.gz PIZQGLDKLQSTNG-INIZCTEOSA-N 1 3 319.449 2.536 20 0 DFADHO Cc1ccn(-c2ccccc2CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000127677401 426080093 /nfs/dbraw/zinc/08/00/93/426080093.db2.gz ROIGBNSOMXBDKS-QILLFSRXSA-N 1 3 312.461 2.999 20 0 DFADHO Cc1ccn(-c2ccccc2CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000127677401 426080096 /nfs/dbraw/zinc/08/00/96/426080096.db2.gz ROIGBNSOMXBDKS-QILLFSRXSA-N 1 3 312.461 2.999 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130481798 426160196 /nfs/dbraw/zinc/16/01/96/426160196.db2.gz YAROHGIQCMSESF-VQTJNVASSA-N 1 3 315.505 2.940 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)N2CCCC2)CCN1C ZINC000134068841 426185122 /nfs/dbraw/zinc/18/51/22/426185122.db2.gz JRHBUOZBHDNCLJ-WDSOQIARSA-N 1 3 301.478 2.896 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CCN1C ZINC000174514280 426259501 /nfs/dbraw/zinc/25/95/01/426259501.db2.gz MBBLXPVEYUQWOP-VQIMIIECSA-N 1 3 301.478 2.723 20 0 DFADHO CN1CC[C@H](C[N@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000120979047 426318271 /nfs/dbraw/zinc/31/82/71/426318271.db2.gz NHKLKGBBSGAJMY-HKUYNNGSSA-N 1 3 318.461 2.628 20 0 DFADHO CN1CC[C@H](C[N@@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000120979047 426318274 /nfs/dbraw/zinc/31/82/74/426318274.db2.gz NHKLKGBBSGAJMY-HKUYNNGSSA-N 1 3 318.461 2.628 20 0 DFADHO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCN(C)C[C@@H]2C)cc1F ZINC000153712813 426401672 /nfs/dbraw/zinc/40/16/72/426401672.db2.gz QRZYTUGJMUIWPO-GUYCJALGSA-N 1 3 316.424 2.750 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1F ZINC000153712813 426401676 /nfs/dbraw/zinc/40/16/76/426401676.db2.gz QRZYTUGJMUIWPO-GUYCJALGSA-N 1 3 316.424 2.750 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1F ZINC000153712813 426401680 /nfs/dbraw/zinc/40/16/80/426401680.db2.gz QRZYTUGJMUIWPO-GUYCJALGSA-N 1 3 316.424 2.750 20 0 DFADHO CCCC[N@H+](CC)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000176038061 426347377 /nfs/dbraw/zinc/34/73/77/426347377.db2.gz TXTAFBCYRLVQKH-KRWDZBQOSA-N 1 3 305.466 2.528 20 0 DFADHO CCCC[N@@H+](CC)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000176038061 426347380 /nfs/dbraw/zinc/34/73/80/426347380.db2.gz TXTAFBCYRLVQKH-KRWDZBQOSA-N 1 3 305.466 2.528 20 0 DFADHO CCCC[N@H+](CC)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000176038075 426347445 /nfs/dbraw/zinc/34/74/45/426347445.db2.gz TXTAFBCYRLVQKH-QGZVFWFLSA-N 1 3 305.466 2.528 20 0 DFADHO CCCC[N@@H+](CC)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000176038075 426347447 /nfs/dbraw/zinc/34/74/47/426347447.db2.gz TXTAFBCYRLVQKH-QGZVFWFLSA-N 1 3 305.466 2.528 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000176042087 426347778 /nfs/dbraw/zinc/34/77/78/426347778.db2.gz UTYVVQKTHSEEFR-NXHRZFHOSA-N 1 3 317.477 2.574 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2cccnc2)CC1 ZINC000122100311 426358442 /nfs/dbraw/zinc/35/84/42/426358442.db2.gz ZUQJLXUDQRXKQY-UHFFFAOYSA-N 1 3 305.466 2.652 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cccnc2)CC1 ZINC000122100311 426358444 /nfs/dbraw/zinc/35/84/44/426358444.db2.gz ZUQJLXUDQRXKQY-UHFFFAOYSA-N 1 3 305.466 2.652 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccccc1OCCN(C)C)[C@H]1CCOC1 ZINC000122376705 426372624 /nfs/dbraw/zinc/37/26/24/426372624.db2.gz KPVDHOQMYSZBGG-DLBZAZTESA-N 1 3 306.450 2.532 20 0 DFADHO CCCCCNC(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123203275 426420242 /nfs/dbraw/zinc/42/02/42/426420242.db2.gz PIRPLEUXKBJSCV-MRXNPFEDSA-N 1 3 311.514 2.735 20 0 DFADHO CCC[C@H](C)NC(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123271640 426423371 /nfs/dbraw/zinc/42/33/71/426423371.db2.gz WHIGKGUGSGUZNB-JKSUJKDBSA-N 1 3 311.514 2.734 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000154230186 426431761 /nfs/dbraw/zinc/43/17/61/426431761.db2.gz KFWLETMBMYMGIN-HNNXBMFYSA-N 1 3 323.456 2.513 20 0 DFADHO C[C@@H]1C[C@H]1c1ccc(CNCCN2CCC([NH+](C)C)CC2)o1 ZINC000176990071 426432473 /nfs/dbraw/zinc/43/24/73/426432473.db2.gz DHHAFMKHJYSXIM-RHSMWYFYSA-N 1 3 305.466 2.519 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCc3ccc(C)cc32)CC1 ZINC000154301150 426434972 /nfs/dbraw/zinc/43/49/72/426434972.db2.gz KBRAIUFYMNEOEP-IBGZPJMESA-N 1 3 301.478 2.600 20 0 DFADHO CCc1ccc([C@H](C)[NH2+]CCCN2CCN(CC)CC2)s1 ZINC000154325989 426435605 /nfs/dbraw/zinc/43/56/05/426435605.db2.gz YRRHXQHFTGCQMT-HNNXBMFYSA-N 1 3 309.523 2.989 20 0 DFADHO CC(C)[C@H](CCO)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000123584752 426441183 /nfs/dbraw/zinc/44/11/83/426441183.db2.gz VLNQQCVIKDRWGE-QAPCUYQASA-N 1 3 308.466 2.685 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000154527993 426443955 /nfs/dbraw/zinc/44/39/55/426443955.db2.gz RISJRWQETZROPO-INIZCTEOSA-N 1 3 307.457 2.894 20 0 DFADHO CCCC[C@@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000154549354 426444947 /nfs/dbraw/zinc/44/49/47/426444947.db2.gz KTPAUOODHBDRTG-YESZJQIVSA-N 1 3 309.498 2.617 20 0 DFADHO CCCC[C@@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000154549354 426444950 /nfs/dbraw/zinc/44/49/50/426444950.db2.gz KTPAUOODHBDRTG-YESZJQIVSA-N 1 3 309.498 2.617 20 0 DFADHO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000341068937 269037916 /nfs/dbraw/zinc/03/79/16/269037916.db2.gz ZDKLSLWNFQGTPO-LPHOPBHVSA-N 1 3 304.478 2.992 20 0 DFADHO Cc1cnc(CNC2CCC([NH+]3CCC(C)CC3)CC2)n1C ZINC000341289284 269061372 /nfs/dbraw/zinc/06/13/72/269061372.db2.gz PZEFYVHTEYVUTN-UHFFFAOYSA-N 1 3 304.482 2.861 20 0 DFADHO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000341332202 269071346 /nfs/dbraw/zinc/07/13/46/269071346.db2.gz SOUXREDPZMDGRQ-PLOWYNNNSA-N 1 3 302.462 2.646 20 0 DFADHO Cc1nn(C)c(C)c1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000124159160 426473702 /nfs/dbraw/zinc/47/37/02/426473702.db2.gz DULIKNAVVLBDAD-UHFFFAOYSA-N 1 3 318.509 2.966 20 0 DFADHO Cc1nn(C)c(C)c1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000124159160 426473705 /nfs/dbraw/zinc/47/37/05/426473705.db2.gz DULIKNAVVLBDAD-UHFFFAOYSA-N 1 3 318.509 2.966 20 0 DFADHO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000186491807 426538361 /nfs/dbraw/zinc/53/83/61/426538361.db2.gz WGVLVCPONYWKJS-AMFYOEQGSA-N 1 3 306.450 2.605 20 0 DFADHO CCC1(CC)CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000186556735 426550452 /nfs/dbraw/zinc/55/04/52/426550452.db2.gz GRGMYUAYKQSDNN-UHFFFAOYSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CC3CCOCC3)CC2)C[C@@H](C)O1 ZINC000177484391 426489175 /nfs/dbraw/zinc/48/91/75/426489175.db2.gz RMTKSUACZDHMGQ-IAGOWNOFSA-N 1 3 324.509 2.624 20 0 DFADHO COCCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177494157 426489689 /nfs/dbraw/zinc/48/96/89/426489689.db2.gz MNWKYKQYKVGXLG-IAGOWNOFSA-N 1 3 312.498 2.624 20 0 DFADHO CC(C)CC(C)(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000177629787 426500103 /nfs/dbraw/zinc/50/01/03/426500103.db2.gz GBLLFWRMEDZKSJ-UHFFFAOYSA-N 1 3 323.525 2.734 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCc2c1ccc(OC)c2F ZINC000289272082 426616702 /nfs/dbraw/zinc/61/67/02/426616702.db2.gz PIMYAAXIKFPEPL-CJNGLKHVSA-N 1 3 324.440 2.768 20 0 DFADHO CC[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)N(CC)CC ZINC000265432822 426636150 /nfs/dbraw/zinc/63/61/50/426636150.db2.gz CPSWTOIYKXDAOC-QGZVFWFLSA-N 1 3 305.466 2.850 20 0 DFADHO CCc1ccc([C@@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)N(C)C)cc1 ZINC000236959732 426686853 /nfs/dbraw/zinc/68/68/53/426686853.db2.gz WYNFWSHFZKKBKM-IEBWSBKVSA-N 1 3 317.477 2.500 20 0 DFADHO CCC(CC)(C[NH3+])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000236674634 426673547 /nfs/dbraw/zinc/67/35/47/426673547.db2.gz AWFUZHHYCRCRBA-QGZVFWFLSA-N 1 3 317.477 2.705 20 0 DFADHO COC(=O)CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000178716309 426680692 /nfs/dbraw/zinc/68/06/92/426680692.db2.gz YPTDHVBSZOZKGH-WBVHZDCISA-N 1 3 304.434 2.534 20 0 DFADHO COC(=O)CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000178716309 426680695 /nfs/dbraw/zinc/68/06/95/426680695.db2.gz YPTDHVBSZOZKGH-WBVHZDCISA-N 1 3 304.434 2.534 20 0 DFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCCOC2)C3)cc1 ZINC000245731104 426768681 /nfs/dbraw/zinc/76/86/81/426768681.db2.gz QEIXJLQUGJNOCV-OKYOBFRVSA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCCOC2)C3)cc1 ZINC000245731104 426768684 /nfs/dbraw/zinc/76/86/84/426768684.db2.gz QEIXJLQUGJNOCV-OKYOBFRVSA-N 1 3 300.446 2.951 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2ccccc21 ZINC000290478848 426772350 /nfs/dbraw/zinc/77/23/50/426772350.db2.gz XHZOJTKNXGSNGP-MAUKXSAKSA-N 1 3 301.478 2.851 20 0 DFADHO COCCOCc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290494694 426777377 /nfs/dbraw/zinc/77/73/77/426777377.db2.gz OTGDUJUTXDXNAM-LPHOPBHVSA-N 1 3 320.477 2.622 20 0 DFADHO COCCOCc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290494694 426777380 /nfs/dbraw/zinc/77/73/80/426777380.db2.gz OTGDUJUTXDXNAM-LPHOPBHVSA-N 1 3 320.477 2.622 20 0 DFADHO CN1CCCC[C@H]1CC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000274509988 426782213 /nfs/dbraw/zinc/78/22/13/426782213.db2.gz WQZXMQISMJBZAI-SFHVURJKSA-N 1 3 302.462 2.844 20 0 DFADHO FC(F)(F)C1(C(F)(F)F)CCN(CC2CC[NH2+]CC2)C1 ZINC000178974307 426728091 /nfs/dbraw/zinc/72/80/91/426728091.db2.gz YLBCHJRFSUIGJN-UHFFFAOYSA-N 1 3 304.278 2.803 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+][C@@H]4CCCOC4)[C@H]3C2)cc1 ZINC000290288737 426732437 /nfs/dbraw/zinc/73/24/37/426732437.db2.gz MQVDOLPGWFWASM-ZSYWTGECSA-N 1 3 300.446 2.666 20 0 DFADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OC(C)(C)C)cc1 ZINC000274301796 426739337 /nfs/dbraw/zinc/73/93/37/426739337.db2.gz QPAGQAALWPOAAD-RDJZCZTQSA-N 1 3 320.477 2.971 20 0 DFADHO CCCC[N@H+](C)CC1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000290375543 426751027 /nfs/dbraw/zinc/75/10/27/426751027.db2.gz IBNZJDJDYYVRKX-UHFFFAOYSA-N 1 3 315.465 2.902 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000290375543 426751029 /nfs/dbraw/zinc/75/10/29/426751029.db2.gz IBNZJDJDYYVRKX-UHFFFAOYSA-N 1 3 315.465 2.902 20 0 DFADHO CC1CCC2(CC1)OC[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)O2 ZINC000245565497 426752672 /nfs/dbraw/zinc/75/26/72/426752672.db2.gz PPKNLAVFZBJNNY-JIDYKHNASA-N 1 3 310.482 2.627 20 0 DFADHO CC1CCC2(CC1)OC[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)O2 ZINC000245565497 426752674 /nfs/dbraw/zinc/75/26/74/426752674.db2.gz PPKNLAVFZBJNNY-JIDYKHNASA-N 1 3 310.482 2.627 20 0 DFADHO C[C@H](O)[C@@](C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000188921840 426800912 /nfs/dbraw/zinc/80/09/12/426800912.db2.gz IYRIMFFUHZMMKF-MTFMMBMASA-N 1 3 316.489 2.833 20 0 DFADHO C[C@H](O)[C@@](C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000188921840 426800918 /nfs/dbraw/zinc/80/09/18/426800918.db2.gz IYRIMFFUHZMMKF-MTFMMBMASA-N 1 3 316.489 2.833 20 0 DFADHO CCOC(=O)c1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000290628882 426808336 /nfs/dbraw/zinc/80/83/36/426808336.db2.gz XUEALSNEKQMBTI-OAHLLOKOSA-N 1 3 320.433 2.620 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189253038 426833422 /nfs/dbraw/zinc/83/34/22/426833422.db2.gz NHFNLTYRWRNGQG-CYBMUJFWSA-N 1 3 313.848 2.595 20 0 DFADHO CC[C@@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1ccccc1F ZINC000180119558 426837838 /nfs/dbraw/zinc/83/78/38/426837838.db2.gz IJSNIESCQVMPMZ-CRAIPNDOSA-N 1 3 307.457 2.892 20 0 DFADHO CN1CCC[C@H](C[N@H+](C)C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000274790022 426838071 /nfs/dbraw/zinc/83/80/71/426838071.db2.gz NRMGJRXSAGHVKP-LRDDRELGSA-N 1 3 314.832 2.786 20 0 DFADHO CN1CCC[C@H](C[N@@H+](C)C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000274790022 426838076 /nfs/dbraw/zinc/83/80/76/426838076.db2.gz NRMGJRXSAGHVKP-LRDDRELGSA-N 1 3 314.832 2.786 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1(C)C ZINC000282203598 426851163 /nfs/dbraw/zinc/85/11/63/426851163.db2.gz GYFPKRUVTUXGKA-QGZVFWFLSA-N 1 3 321.896 2.943 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)N(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274888843 426856353 /nfs/dbraw/zinc/85/63/53/426856353.db2.gz JAMFBFSMAYBCDZ-AEFFLSMTSA-N 1 3 303.494 2.827 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563558 426793846 /nfs/dbraw/zinc/79/38/46/426793846.db2.gz SLZXGORMCGBFLE-RTBURBONSA-N 1 3 314.473 2.970 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563558 426793853 /nfs/dbraw/zinc/79/38/53/426793853.db2.gz SLZXGORMCGBFLE-RTBURBONSA-N 1 3 314.473 2.970 20 0 DFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000337682903 426919871 /nfs/dbraw/zinc/91/98/71/426919871.db2.gz OBPOORWVAZSAPP-INIZCTEOSA-N 1 3 318.465 2.602 20 0 DFADHO CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000337682903 426919878 /nfs/dbraw/zinc/91/98/78/426919878.db2.gz OBPOORWVAZSAPP-INIZCTEOSA-N 1 3 318.465 2.602 20 0 DFADHO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cn1 ZINC000247253455 426921752 /nfs/dbraw/zinc/92/17/52/426921752.db2.gz ZVIDYTMUFFDBTN-HLLBOEOZSA-N 1 3 304.482 2.746 20 0 DFADHO CN1CCN(CC[NH2+]Cc2cc(F)cc(Cl)c2)CC1(C)C ZINC000282260819 426864981 /nfs/dbraw/zinc/86/49/81/426864981.db2.gz HBFVYXMPBIFHME-UHFFFAOYSA-N 1 3 313.848 2.595 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CC[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000189519048 426879479 /nfs/dbraw/zinc/87/94/79/426879479.db2.gz JTFUIEIKABOBRH-SCTDSRPQSA-N 1 3 324.509 2.767 20 0 DFADHO C[C@@H]1CN(CCN(C)Cc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000295259779 426881155 /nfs/dbraw/zinc/88/11/55/426881155.db2.gz XXRIULPZPLSGEU-GOSISDBHSA-N 1 3 315.505 2.925 20 0 DFADHO C[C@@H]1CN(CCN(C)Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000295259779 426881159 /nfs/dbraw/zinc/88/11/59/426881159.db2.gz XXRIULPZPLSGEU-GOSISDBHSA-N 1 3 315.505 2.925 20 0 DFADHO O[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)Cc1ccccc1 ZINC000305136533 426884824 /nfs/dbraw/zinc/88/48/24/426884824.db2.gz OSJIDQYHYUPBLG-FQEVSTJZSA-N 1 3 316.489 2.977 20 0 DFADHO C[C@H](C[NH+]1CCC(N(C)CCCO)CC1)c1ccc(F)cc1 ZINC000275648011 426885446 /nfs/dbraw/zinc/88/54/46/426885446.db2.gz BPPDLUGAJOMRON-OAHLLOKOSA-N 1 3 308.441 2.708 20 0 DFADHO C[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2sccc2C1 ZINC000247000228 426887735 /nfs/dbraw/zinc/88/77/35/426887735.db2.gz LNBXDCRPFTYRJH-IJEWVQPXSA-N 1 3 307.507 2.567 20 0 DFADHO C[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2sccc2C1 ZINC000247000228 426887739 /nfs/dbraw/zinc/88/77/39/426887739.db2.gz LNBXDCRPFTYRJH-IJEWVQPXSA-N 1 3 307.507 2.567 20 0 DFADHO CCC[N@H+](CC)CCNC(=O)Nc1ccccc1CCN(C)C ZINC000275669037 426891972 /nfs/dbraw/zinc/89/19/72/426891972.db2.gz OWUSDHMSZZINGS-UHFFFAOYSA-N 1 3 320.481 2.644 20 0 DFADHO CCC[N@@H+](CC)CCNC(=O)Nc1ccccc1CCN(C)C ZINC000275669037 426891981 /nfs/dbraw/zinc/89/19/81/426891981.db2.gz OWUSDHMSZZINGS-UHFFFAOYSA-N 1 3 320.481 2.644 20 0 DFADHO C/C(=C\c1ccccc1)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282381787 426899242 /nfs/dbraw/zinc/89/92/42/426899242.db2.gz OKYJQNIKFKGKGR-SAPNQHFASA-N 1 3 301.478 2.706 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CCCOc3ccccc32)CC1(C)C ZINC000282397526 426901118 /nfs/dbraw/zinc/90/11/18/426901118.db2.gz RLPRQVFDTURJQF-QGZVFWFLSA-N 1 3 317.477 2.516 20 0 DFADHO Cc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000282424044 426910033 /nfs/dbraw/zinc/91/00/33/426910033.db2.gz SUOCPVXOACBRRI-QGZVFWFLSA-N 1 3 303.494 2.980 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000316752927 426949831 /nfs/dbraw/zinc/94/98/31/426949831.db2.gz FENQYDLVHXCORH-DLBZAZTESA-N 1 3 305.466 2.559 20 0 DFADHO COc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000317064270 426954320 /nfs/dbraw/zinc/95/43/20/426954320.db2.gz YRSNSZRSAYXDAA-KURKYZTESA-N 1 3 300.446 2.769 20 0 DFADHO COc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000317064270 426954325 /nfs/dbraw/zinc/95/43/25/426954325.db2.gz YRSNSZRSAYXDAA-KURKYZTESA-N 1 3 300.446 2.769 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCN3CCC[C@H]3C1)CC2 ZINC000317064270 426954332 /nfs/dbraw/zinc/95/43/32/426954332.db2.gz YRSNSZRSAYXDAA-KURKYZTESA-N 1 3 300.446 2.769 20 0 DFADHO Cc1ccc(C[NH2+]C[C@@H](C)CN(C)C)c(-c2cnn(C)c2)c1 ZINC000291739137 426971166 /nfs/dbraw/zinc/97/11/66/426971166.db2.gz OTWCYFCVZWRFDR-OAHLLOKOSA-N 1 3 300.450 2.683 20 0 DFADHO Cc1ccc(CNC[C@@H](C)C[NH+](C)C)c(-c2cnn(C)c2)c1 ZINC000291739137 426971171 /nfs/dbraw/zinc/97/11/71/426971171.db2.gz OTWCYFCVZWRFDR-OAHLLOKOSA-N 1 3 300.450 2.683 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000247967180 426972431 /nfs/dbraw/zinc/97/24/31/426972431.db2.gz IGRSHESXTVRDGE-JCGIZDLHSA-N 1 3 307.457 2.748 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000247967180 426972437 /nfs/dbraw/zinc/97/24/37/426972437.db2.gz IGRSHESXTVRDGE-JCGIZDLHSA-N 1 3 307.457 2.748 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000247967180 426972443 /nfs/dbraw/zinc/97/24/43/426972443.db2.gz IGRSHESXTVRDGE-JCGIZDLHSA-N 1 3 307.457 2.748 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)[C@@H](C)C1 ZINC000248049251 426975613 /nfs/dbraw/zinc/97/56/13/426975613.db2.gz VVWAOTHNHAUGER-YESZJQIVSA-N 1 3 305.466 2.736 20 0 DFADHO C[C@H](C[NH2+]Cc1ccc(Oc2cnccn2)cc1)CN(C)C ZINC000291766437 426980548 /nfs/dbraw/zinc/98/05/48/426980548.db2.gz SFYQJALYIPVMEN-CQSZACIVSA-N 1 3 300.406 2.556 20 0 DFADHO CC(C)Cn1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000181781452 426980756 /nfs/dbraw/zinc/98/07/56/426980756.db2.gz JEUNYNNKCVSHLM-IAGOWNOFSA-N 1 3 322.497 2.518 20 0 DFADHO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268372477 426998020 /nfs/dbraw/zinc/99/80/20/426998020.db2.gz SAHFYHMHOGTGRZ-NVXWUHKLSA-N 1 3 301.478 2.963 20 0 DFADHO CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248420519 426997988 /nfs/dbraw/zinc/99/79/88/426997988.db2.gz XCVPNHCBSZQBKS-AKHDSKFASA-N 1 3 302.462 2.912 20 0 DFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283473176 427020981 /nfs/dbraw/zinc/02/09/81/427020981.db2.gz WLZCZUNPRUKULY-UXPWSPDFSA-N 1 3 315.505 2.794 20 0 DFADHO C[C@@H](Cn1cccn1)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000337899894 427026734 /nfs/dbraw/zinc/02/67/34/427026734.db2.gz PACLQJRGFSWMBI-SOLBZPMBSA-N 1 3 304.482 2.904 20 0 DFADHO C[C@@H](Cn1cccn1)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000337899894 427026738 /nfs/dbraw/zinc/02/67/38/427026738.db2.gz PACLQJRGFSWMBI-SOLBZPMBSA-N 1 3 304.482 2.904 20 0 DFADHO C[C@@H](Cn1cccn1)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000337899892 427026887 /nfs/dbraw/zinc/02/68/87/427026887.db2.gz PACLQJRGFSWMBI-RYRKJORJSA-N 1 3 304.482 2.904 20 0 DFADHO C[C@@H](Cn1cccn1)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000337899892 427026892 /nfs/dbraw/zinc/02/68/92/427026892.db2.gz PACLQJRGFSWMBI-RYRKJORJSA-N 1 3 304.482 2.904 20 0 DFADHO C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248836681 427051276 /nfs/dbraw/zinc/05/12/76/427051276.db2.gz DEHNEPPIGZXATQ-XYJFISCASA-N 1 3 317.477 2.625 20 0 DFADHO C[C@H](CCCC[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000292039223 427067428 /nfs/dbraw/zinc/06/74/28/427067428.db2.gz HYRGEAKMKPXDAV-MRXNPFEDSA-N 1 3 317.477 2.532 20 0 DFADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC000248989133 427073779 /nfs/dbraw/zinc/07/37/79/427073779.db2.gz GWEUDVCNGZBADT-RDJZCZTQSA-N 1 3 302.462 2.874 20 0 DFADHO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000249031308 427076951 /nfs/dbraw/zinc/07/69/51/427076951.db2.gz LPILFVKFZVGHBD-YXJHDRRASA-N 1 3 306.450 2.845 20 0 DFADHO CCN(CC)CCC[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000268724551 427103882 /nfs/dbraw/zinc/10/38/82/427103882.db2.gz IVOJMHHRROFPPJ-HNNXBMFYSA-N 1 3 308.466 2.956 20 0 DFADHO CC[NH+](CC)CCCN[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000268724551 427103885 /nfs/dbraw/zinc/10/38/85/427103885.db2.gz IVOJMHHRROFPPJ-HNNXBMFYSA-N 1 3 308.466 2.956 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000268812745 427125634 /nfs/dbraw/zinc/12/56/34/427125634.db2.gz LNQUYTSEPUQMLW-CVEARBPZSA-N 1 3 317.477 2.675 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000268812745 427125636 /nfs/dbraw/zinc/12/56/36/427125636.db2.gz LNQUYTSEPUQMLW-CVEARBPZSA-N 1 3 317.477 2.675 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000158529041 271076771 /nfs/dbraw/zinc/07/67/71/271076771.db2.gz LWQYLQOBSVKJIO-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000158529041 271076774 /nfs/dbraw/zinc/07/67/74/271076774.db2.gz LWQYLQOBSVKJIO-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000158529041 271076776 /nfs/dbraw/zinc/07/67/76/271076776.db2.gz LWQYLQOBSVKJIO-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000158529041 271076779 /nfs/dbraw/zinc/07/67/79/271076779.db2.gz LWQYLQOBSVKJIO-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000174868304 271141278 /nfs/dbraw/zinc/14/12/78/271141278.db2.gz SPTVYPVPHPOIHJ-PBHICJAKSA-N 1 3 318.465 2.695 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000174868304 271141279 /nfs/dbraw/zinc/14/12/79/271141279.db2.gz SPTVYPVPHPOIHJ-PBHICJAKSA-N 1 3 318.465 2.695 20 0 DFADHO C[C@H](NC1CC1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000296383436 427164977 /nfs/dbraw/zinc/16/49/77/427164977.db2.gz KPBHIJJKTQKXAV-CABCVRRESA-N 1 3 315.461 2.998 20 0 DFADHO C[C@H](NC1CC1)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000296383436 427164984 /nfs/dbraw/zinc/16/49/84/427164984.db2.gz KPBHIJJKTQKXAV-CABCVRRESA-N 1 3 315.461 2.998 20 0 DFADHO CC[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000227714601 271238669 /nfs/dbraw/zinc/23/86/69/271238669.db2.gz UCLFYFKDEYITNL-GBJTYRQASA-N 1 3 313.486 2.608 20 0 DFADHO CC[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000227714601 271238670 /nfs/dbraw/zinc/23/86/70/271238670.db2.gz UCLFYFKDEYITNL-GBJTYRQASA-N 1 3 313.486 2.608 20 0 DFADHO C[C@@H](C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)[C@H](C)[NH3+] ZINC000248971730 271264029 /nfs/dbraw/zinc/26/40/29/271264029.db2.gz DIRNCPWXEYFZOT-SOLBZPMBSA-N 1 3 317.477 2.559 20 0 DFADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)CC1 ZINC000277337827 427170298 /nfs/dbraw/zinc/17/02/98/427170298.db2.gz VYKXJDTYWNAYSZ-AWEZNQCLSA-N 1 3 307.413 2.570 20 0 DFADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)CC1 ZINC000277337827 427170303 /nfs/dbraw/zinc/17/03/03/427170303.db2.gz VYKXJDTYWNAYSZ-AWEZNQCLSA-N 1 3 307.413 2.570 20 0 DFADHO CC(C)C1CCC(NCc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000333368018 271372802 /nfs/dbraw/zinc/37/28/02/271372802.db2.gz FAWQUXLNAINORQ-UHFFFAOYSA-N 1 3 305.470 2.576 20 0 DFADHO c1cn(CCCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000183173452 427216764 /nfs/dbraw/zinc/21/67/64/427216764.db2.gz JAPQYAFYLQNJRV-SFHVURJKSA-N 1 3 304.482 2.861 20 0 DFADHO C[C@@H]1CCCC[C@@H]1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000183052826 427191741 /nfs/dbraw/zinc/19/17/41/427191741.db2.gz YIDWBFWTBWPIEA-QRVBRYPASA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1CCCC[C@@H]1CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000183052826 427191743 /nfs/dbraw/zinc/19/17/43/427191743.db2.gz YIDWBFWTBWPIEA-QRVBRYPASA-N 1 3 307.526 2.915 20 0 DFADHO CN1CCC[C@@H]1CC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000292894205 427204575 /nfs/dbraw/zinc/20/45/75/427204575.db2.gz ZABPZQFLLREPNW-QZTJIDSGSA-N 1 3 302.462 2.964 20 0 DFADHO C[C@@H](O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183142243 427211364 /nfs/dbraw/zinc/21/13/64/427211364.db2.gz SJVOZGCFDJLRJE-XGXHKWSGSA-N 1 3 302.462 2.648 20 0 DFADHO CC1=CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CC1 ZINC000285398582 427220520 /nfs/dbraw/zinc/22/05/20/427220520.db2.gz XCBXOKAOAWZACL-SFHVURJKSA-N 1 3 315.461 2.566 20 0 DFADHO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000183199713 427221146 /nfs/dbraw/zinc/22/11/46/427221146.db2.gz BSAUCOLVGGGOKL-QMTMVMCOSA-N 1 3 312.461 2.999 20 0 DFADHO COC(=O)c1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000285537511 427263085 /nfs/dbraw/zinc/26/30/85/427263085.db2.gz PQKKUTQLBFDGQZ-SJPCQFCGSA-N 1 3 302.418 2.530 20 0 DFADHO COC(=O)c1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000285537511 427263090 /nfs/dbraw/zinc/26/30/90/427263090.db2.gz PQKKUTQLBFDGQZ-SJPCQFCGSA-N 1 3 302.418 2.530 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000338328381 427263556 /nfs/dbraw/zinc/26/35/56/427263556.db2.gz RSJFZJULJHHGEI-UXHICEINSA-N 1 3 316.489 2.887 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000338328381 427263562 /nfs/dbraw/zinc/26/35/62/427263562.db2.gz RSJFZJULJHHGEI-UXHICEINSA-N 1 3 316.489 2.887 20 0 DFADHO C[C@@H]1C[N@H+](CCCNCc2cccc3cccnc32)CCCO1 ZINC000277675195 427280615 /nfs/dbraw/zinc/28/06/15/427280615.db2.gz GIFRRXWEEAMQHB-MRXNPFEDSA-N 1 3 313.445 2.825 20 0 DFADHO C[C@@H]1C[N@@H+](CCCNCc2cccc3cccnc32)CCCO1 ZINC000277675195 427280618 /nfs/dbraw/zinc/28/06/18/427280618.db2.gz GIFRRXWEEAMQHB-MRXNPFEDSA-N 1 3 313.445 2.825 20 0 DFADHO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)CN(C)C ZINC000293312236 427283233 /nfs/dbraw/zinc/28/32/33/427283233.db2.gz FDVKISXMBOMLKG-CABCVRRESA-N 1 3 303.450 2.662 20 0 DFADHO CCN(CC)CCC[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000338367552 427283383 /nfs/dbraw/zinc/28/33/83/427283383.db2.gz UICGCBOHBQJZNS-IBGZPJMESA-N 1 3 304.478 2.788 20 0 DFADHO CCN(CC)CCC[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000338367552 427283387 /nfs/dbraw/zinc/28/33/87/427283387.db2.gz UICGCBOHBQJZNS-IBGZPJMESA-N 1 3 304.478 2.788 20 0 DFADHO C[NH+](C)C1CCN(CCN[C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269931166 427308970 /nfs/dbraw/zinc/30/89/70/427308970.db2.gz PGLXFNCMMKHWJK-KRWDZBQOSA-N 1 3 323.431 2.568 20 0 DFADHO Cc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000338446163 427328575 /nfs/dbraw/zinc/32/85/75/427328575.db2.gz SEVAHVKKOVIXOE-YJBOKZPZSA-N 1 3 312.461 2.968 20 0 DFADHO Cc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000338446163 427328582 /nfs/dbraw/zinc/32/85/82/427328582.db2.gz SEVAHVKKOVIXOE-YJBOKZPZSA-N 1 3 312.461 2.968 20 0 DFADHO CN(C[C@@]1(C)CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000261732902 427338053 /nfs/dbraw/zinc/33/80/53/427338053.db2.gz HJFCOGVKBXEFAR-OALUTQOASA-N 1 3 301.478 2.582 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)N2CCN[C@H](C)[C@H]2C)cc1)C(C)C ZINC000262790944 427373345 /nfs/dbraw/zinc/37/33/45/427373345.db2.gz NELMYZKDARICBG-HZPDHXFCSA-N 1 3 317.477 2.739 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN[C@H](C)[C@H]2C)cc1)C(C)C ZINC000262790944 427373352 /nfs/dbraw/zinc/37/33/52/427373352.db2.gz NELMYZKDARICBG-HZPDHXFCSA-N 1 3 317.477 2.739 20 0 DFADHO CC[C@@H](c1ccncc1)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000191600875 427384211 /nfs/dbraw/zinc/38/42/11/427384211.db2.gz QEZCWENCEHHHMS-IBGZPJMESA-N 1 3 318.509 2.881 20 0 DFADHO CC[C@@H](c1ccncc1)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000191600875 427384218 /nfs/dbraw/zinc/38/42/18/427384218.db2.gz QEZCWENCEHHHMS-IBGZPJMESA-N 1 3 318.509 2.881 20 0 DFADHO CC[C@@H](C)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286071987 427419075 /nfs/dbraw/zinc/41/90/75/427419075.db2.gz RWQLPYXZMXSECG-MJGOQNOKSA-N 1 3 301.478 2.677 20 0 DFADHO CC[C@@H](C)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286071987 427419078 /nfs/dbraw/zinc/41/90/78/427419078.db2.gz RWQLPYXZMXSECG-MJGOQNOKSA-N 1 3 301.478 2.677 20 0 DFADHO c1ccc(C[N@H+]2CC[C@@H](N3CCN(CC4CCC4)CC3)C2)cc1 ZINC000285999869 427397234 /nfs/dbraw/zinc/39/72/34/427397234.db2.gz OTGXONQUXJQIDU-HXUWFJFHSA-N 1 3 313.489 2.679 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(CC4CCC4)CC3)C2)cc1 ZINC000285999869 427397239 /nfs/dbraw/zinc/39/72/39/427397239.db2.gz OTGXONQUXJQIDU-HXUWFJFHSA-N 1 3 313.489 2.679 20 0 DFADHO CCc1ccc2[nH+]ccc(N[C@H](C)CN3CCN(C)CC3)c2c1 ZINC000297224883 427365963 /nfs/dbraw/zinc/36/59/63/427365963.db2.gz SXOXIEPBKPWAQY-OAHLLOKOSA-N 1 3 312.461 2.845 20 0 DFADHO CN1CCN(CC[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1(C)C ZINC000286203244 427452581 /nfs/dbraw/zinc/45/25/81/427452581.db2.gz YBCUNDDPEGHCOX-SNAWJCMRSA-N 1 3 323.431 2.594 20 0 DFADHO CO[C@@H](C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C1CC1 ZINC000293840127 427456958 /nfs/dbraw/zinc/45/69/58/427456958.db2.gz XRWPMZFZKINHSA-KDOFPFPSSA-N 1 3 306.450 2.703 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21 ZINC000271252644 427467950 /nfs/dbraw/zinc/46/79/50/427467950.db2.gz FWYBISBXNWNNKW-AQNXPRMDSA-N 1 3 313.489 2.677 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN([C@@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21 ZINC000271252644 427467958 /nfs/dbraw/zinc/46/79/58/427467958.db2.gz FWYBISBXNWNNKW-AQNXPRMDSA-N 1 3 313.489 2.677 20 0 DFADHO CO[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000293754016 427426020 /nfs/dbraw/zinc/42/60/20/427426020.db2.gz QPFYLSAVAXFFFF-VNTMZGSJSA-N 1 3 314.473 2.912 20 0 DFADHO CO[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000293754016 427426023 /nfs/dbraw/zinc/42/60/23/427426023.db2.gz QPFYLSAVAXFFFF-VNTMZGSJSA-N 1 3 314.473 2.912 20 0 DFADHO CO[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000293754016 427426034 /nfs/dbraw/zinc/42/60/34/427426034.db2.gz QPFYLSAVAXFFFF-VNTMZGSJSA-N 1 3 314.473 2.912 20 0 DFADHO C[C@H]1C[C@H](NCCc2cc(C(F)(F)F)ccn2)CC[N@@H+]1C ZINC000293755412 427426743 /nfs/dbraw/zinc/42/67/43/427426743.db2.gz QRCDMKIUTYXMHL-SMDDNHRTSA-N 1 3 301.356 2.715 20 0 DFADHO C[C@H]1C[C@H](NCCc2cc(C(F)(F)F)ccn2)CC[N@H+]1C ZINC000293755412 427426749 /nfs/dbraw/zinc/42/67/49/427426749.db2.gz QRCDMKIUTYXMHL-SMDDNHRTSA-N 1 3 301.356 2.715 20 0 DFADHO C[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])N(C)Cc1ccccc1 ZINC000263185995 427431373 /nfs/dbraw/zinc/43/13/73/427431373.db2.gz HHHSNKFXVUFTEJ-SUMDDJOVSA-N 1 3 317.477 2.531 20 0 DFADHO FC(F)(F)c1cccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000293775558 427431900 /nfs/dbraw/zinc/43/19/00/427431900.db2.gz SMVOZTRIQHKATC-UONOGXRCSA-N 1 3 313.367 2.859 20 0 DFADHO FC(F)(F)c1cccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000293775558 427431910 /nfs/dbraw/zinc/43/19/10/427431910.db2.gz SMVOZTRIQHKATC-UONOGXRCSA-N 1 3 313.367 2.859 20 0 DFADHO CCC[C@](C)(N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000263249211 427446740 /nfs/dbraw/zinc/44/67/40/427446740.db2.gz IYFGVPWAQHLGBO-SFHVURJKSA-N 1 3 303.450 2.781 20 0 DFADHO C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000278930752 427505977 /nfs/dbraw/zinc/50/59/77/427505977.db2.gz LERCVDCGDRRSTO-DSLXNQLJSA-N 1 3 302.462 2.648 20 0 DFADHO C[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000278980517 427521392 /nfs/dbraw/zinc/52/13/92/427521392.db2.gz PJPBJRBHFDTRAX-OQIJWPOYSA-N 1 3 302.462 2.648 20 0 DFADHO c1c(CC[NH2+]C2CCN(c3ccncc3)CC2)nc2ccccn12 ZINC000294081514 427541892 /nfs/dbraw/zinc/54/18/92/427541892.db2.gz AGFJYYJHZSPRIE-UHFFFAOYSA-N 1 3 321.428 2.530 20 0 DFADHO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298233400 427542171 /nfs/dbraw/zinc/54/21/71/427542171.db2.gz BMVBLQNSDKCBEP-SJORKVTESA-N 1 3 316.493 2.760 20 0 DFADHO CN(CCC[NH2+]C1CCN(C2CC2)CC1)Cc1ccccc1 ZINC000298245273 427546138 /nfs/dbraw/zinc/54/61/38/427546138.db2.gz CVURDQSUNHXBQA-UHFFFAOYSA-N 1 3 301.478 2.725 20 0 DFADHO c1cnn(Cc2cccc(CNC3CC[NH+](C4CC4)CC3)c2)c1 ZINC000298252559 427547553 /nfs/dbraw/zinc/54/75/53/427547553.db2.gz DNCXEOSTCVPCJB-UHFFFAOYSA-N 1 3 310.445 2.648 20 0 DFADHO C[C@](O)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298451012 427613077 /nfs/dbraw/zinc/61/30/77/427613077.db2.gz OARIRJNRBXTFSD-IBGZPJMESA-N 1 3 311.429 2.548 20 0 DFADHO c1cc(N2CCC([NH2+]CCc3ccc4c(c3)CCO4)CC2)ccn1 ZINC000298461037 427615892 /nfs/dbraw/zinc/61/58/92/427615892.db2.gz OIACROIIUWIOGY-UHFFFAOYSA-N 1 3 323.440 2.818 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C12CCC2 ZINC000294312716 427619897 /nfs/dbraw/zinc/61/98/97/427619897.db2.gz WBSJTEZOAGPEER-QZTJIDSGSA-N 1 3 315.461 2.988 20 0 DFADHO Cc1ccncc1[C@H](C)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000271485624 427557475 /nfs/dbraw/zinc/55/74/75/427557475.db2.gz IXCKUQXTLDNIEC-HOTGVXAUSA-N 1 3 303.450 2.542 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@@H]1NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000271513517 427567240 /nfs/dbraw/zinc/56/72/40/427567240.db2.gz ODJMHFBOUSADMA-PPRPKMEESA-N 1 3 314.473 2.887 20 0 DFADHO CC(C)C[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)N(C)C ZINC000294165648 427571131 /nfs/dbraw/zinc/57/11/31/427571131.db2.gz IUEFRAUIOSQKGC-SFHVURJKSA-N 1 3 304.482 2.616 20 0 DFADHO C[C@H](O)CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000279152021 427576807 /nfs/dbraw/zinc/57/68/07/427576807.db2.gz SUDBMAKMYOLBOF-JCHJZTRSSA-N 1 3 302.462 2.648 20 0 DFADHO CC[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc2c(c1)OCCO2 ZINC000271652718 427580685 /nfs/dbraw/zinc/58/06/85/427580685.db2.gz IMTLVHGBLIRRND-HZPDHXFCSA-N 1 3 304.434 2.983 20 0 DFADHO COCCOc1ccc([C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271822376 427589064 /nfs/dbraw/zinc/58/90/64/427589064.db2.gz CQGMCBBLKCRANI-OAHLLOKOSA-N 1 3 304.434 2.624 20 0 DFADHO C[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccccc1 ZINC000298440924 427609181 /nfs/dbraw/zinc/60/91/81/427609181.db2.gz NKGXXJPMVIRMIU-OAHLLOKOSA-N 1 3 324.428 2.667 20 0 DFADHO C[C@@](O)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298451015 427611405 /nfs/dbraw/zinc/61/14/05/427611405.db2.gz OARIRJNRBXTFSD-LJQANCHMSA-N 1 3 311.429 2.548 20 0 DFADHO C[C@@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)C1CCCCC1 ZINC000339034534 427636867 /nfs/dbraw/zinc/63/68/67/427636867.db2.gz ZDWMZHOXDDTZSX-INIZCTEOSA-N 1 3 323.525 2.593 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287583827 427647357 /nfs/dbraw/zinc/64/73/57/427647357.db2.gz CIVPLJVWLVJFDW-QZTJIDSGSA-N 1 3 303.450 2.547 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287583827 427647362 /nfs/dbraw/zinc/64/73/62/427647362.db2.gz CIVPLJVWLVJFDW-QZTJIDSGSA-N 1 3 303.450 2.547 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000264102162 427656912 /nfs/dbraw/zinc/65/69/12/427656912.db2.gz NDPBUOAVQJBCJC-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000264102162 427656922 /nfs/dbraw/zinc/65/69/22/427656922.db2.gz NDPBUOAVQJBCJC-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000294910440 427666171 /nfs/dbraw/zinc/66/61/71/427666171.db2.gz CCECRYGOQWOEQS-RCCFBDPRSA-N 1 3 317.477 2.834 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)cc1 ZINC000295002591 427668450 /nfs/dbraw/zinc/66/84/50/427668450.db2.gz IGXFZPBSJCTRTE-KZNAEPCWSA-N 1 3 317.477 2.560 20 0 DFADHO Cn1cnc2cc(CN3CCC(C[NH+]4CCCC4)CC3)ccc21 ZINC000342679704 272040168 /nfs/dbraw/zinc/04/01/68/272040168.db2.gz YTLRJXOARJLDCY-UHFFFAOYSA-N 1 3 312.461 2.881 20 0 DFADHO CCN1C[C@@H](C)[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000343164548 272092462 /nfs/dbraw/zinc/09/24/62/272092462.db2.gz WHBZKXIFOXTAOJ-XLIONFOSSA-N 1 3 315.505 2.623 20 0 DFADHO CCOc1cc(C[NH2+]C2CCN(CC3CC3)CC2)ccc1O ZINC000298685038 427676901 /nfs/dbraw/zinc/67/69/01/427676901.db2.gz HBQYVYVNTKHWAN-UHFFFAOYSA-N 1 3 304.434 2.755 20 0 DFADHO C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343891613 272232852 /nfs/dbraw/zinc/23/28/52/272232852.db2.gz YVSKKWSJOIWMFQ-GPMSIDNRSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343891613 272232855 /nfs/dbraw/zinc/23/28/55/272232855.db2.gz YVSKKWSJOIWMFQ-GPMSIDNRSA-N 1 3 319.468 2.845 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000344009687 272249325 /nfs/dbraw/zinc/24/93/25/272249325.db2.gz BJXMMDMSISAOKH-IBGZPJMESA-N 1 3 303.494 2.879 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000344009687 272249326 /nfs/dbraw/zinc/24/93/26/272249326.db2.gz BJXMMDMSISAOKH-IBGZPJMESA-N 1 3 303.494 2.879 20 0 DFADHO C[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)N1CCCCCC1 ZINC000344027206 272251328 /nfs/dbraw/zinc/25/13/28/272251328.db2.gz DOWXYDBREICHOR-ZHALLVOQSA-N 1 3 323.525 2.878 20 0 DFADHO CN(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)Cc1ccccc1 ZINC000193202695 427677686 /nfs/dbraw/zinc/67/76/86/427677686.db2.gz OTVRZBIJJQPFBS-YQQQUEKLSA-N 1 3 301.478 2.723 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000344177967 272280502 /nfs/dbraw/zinc/28/05/02/272280502.db2.gz UEQLLKCPJJISPN-IAGOWNOFSA-N 1 3 311.514 2.878 20 0 DFADHO CC(C)CCn1cccc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000344664926 272353096 /nfs/dbraw/zinc/35/30/96/272353096.db2.gz JJSWWMLZPDXWIM-UHFFFAOYSA-N 1 3 321.509 2.859 20 0 DFADHO CC[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)N(CC)CC ZINC000344808734 272372686 /nfs/dbraw/zinc/37/26/86/272372686.db2.gz IRLLYPAZOQRNKC-QGZVFWFLSA-N 1 3 311.514 2.878 20 0 DFADHO CC[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)N(CC)CC ZINC000344808734 272372688 /nfs/dbraw/zinc/37/26/88/272372688.db2.gz IRLLYPAZOQRNKC-QGZVFWFLSA-N 1 3 311.514 2.878 20 0 DFADHO CC(=O)c1ccccc1OCCN1CCC(CC[NH+](C)C)CC1 ZINC000193434582 427690419 /nfs/dbraw/zinc/69/04/19/427690419.db2.gz OLJHHNASAWCWCE-UHFFFAOYSA-N 1 3 318.461 2.932 20 0 DFADHO CCOC1CCN(C/C=C/C[NH+]2CCC(OCC)CC2)CC1 ZINC000193778063 427711258 /nfs/dbraw/zinc/71/12/58/427711258.db2.gz SPFTYQKWNXUMHZ-AATRIKPKSA-N 1 3 310.482 2.544 20 0 DFADHO Cc1nc(C)c(C[NH2+]C2CCN(c3ccncc3)CC2)s1 ZINC000336848715 427756936 /nfs/dbraw/zinc/75/69/36/427756936.db2.gz MIVKFXMZXSMLNN-UHFFFAOYSA-N 1 3 302.447 2.914 20 0 DFADHO C1CC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000194069120 427728529 /nfs/dbraw/zinc/72/85/29/427728529.db2.gz YULCEVCKMLNRJC-FGTMMUONSA-N 1 3 304.478 2.941 20 0 DFADHO CCc1cc(OC)ccc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000337249990 427824004 /nfs/dbraw/zinc/82/40/04/427824004.db2.gz JTTMPGQYVHWMEV-UHFFFAOYSA-N 1 3 320.477 2.583 20 0 DFADHO COCC[N@H+](C)CCCNCc1cc2c(ccc(C)c2C)[nH]1 ZINC000349657496 427837817 /nfs/dbraw/zinc/83/78/17/427837817.db2.gz WDGNWRZPMYPTCP-UHFFFAOYSA-N 1 3 303.450 2.843 20 0 DFADHO COCC[N@@H+](C)CCCNCc1cc2c(ccc(C)c2C)[nH]1 ZINC000349657496 427837824 /nfs/dbraw/zinc/83/78/24/427837824.db2.gz WDGNWRZPMYPTCP-UHFFFAOYSA-N 1 3 303.450 2.843 20 0 DFADHO CC(C)OC[C@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000337335756 427850571 /nfs/dbraw/zinc/85/05/71/427850571.db2.gz LSNKLHLXHRUEIM-INIZCTEOSA-N 1 3 320.477 2.546 20 0 DFADHO COC1CC[NH+](C2(CNc3ccncc3C)CCCC2)CC1 ZINC000359486924 427872424 /nfs/dbraw/zinc/87/24/24/427872424.db2.gz UYIMCSZQBBNBFB-UHFFFAOYSA-N 1 3 303.450 2.647 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)CC(C)C ZINC000345730923 427880207 /nfs/dbraw/zinc/88/02/07/427880207.db2.gz ZZRSWHCJGCJRAP-IXDOHACOSA-N 1 3 311.514 2.732 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337409601 427891733 /nfs/dbraw/zinc/89/17/33/427891733.db2.gz WHJBSJKCTIYADP-HZPDHXFCSA-N 1 3 320.477 2.875 20 0 DFADHO N[C@@H](CC(F)F)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000345759564 427892896 /nfs/dbraw/zinc/89/28/96/427892896.db2.gz GPJBWBHLOZHHIX-AWEZNQCLSA-N 1 3 311.376 2.594 20 0 DFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000345775766 427902321 /nfs/dbraw/zinc/90/23/21/427902321.db2.gz JENALPSPENXELU-XMTFNYHQSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000345775766 427902328 /nfs/dbraw/zinc/90/23/28/427902328.db2.gz JENALPSPENXELU-XMTFNYHQSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)N1CCN(CCC[N@H+](CC2CC2)CC2CCC2)CC1 ZINC000337475104 427923063 /nfs/dbraw/zinc/92/30/63/427923063.db2.gz ROAGYXXAHKVJKZ-UHFFFAOYSA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+](CC2CC2)CC2CCC2)CC1 ZINC000337475104 427923068 /nfs/dbraw/zinc/92/30/68/427923068.db2.gz ROAGYXXAHKVJKZ-UHFFFAOYSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337599529 427976028 /nfs/dbraw/zinc/97/60/28/427976028.db2.gz MYYAOARHSQXFEJ-HYVNUMGLSA-N 1 3 316.445 2.953 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337599529 427976031 /nfs/dbraw/zinc/97/60/31/427976031.db2.gz MYYAOARHSQXFEJ-HYVNUMGLSA-N 1 3 316.445 2.953 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000337599529 427976035 /nfs/dbraw/zinc/97/60/35/427976035.db2.gz MYYAOARHSQXFEJ-HYVNUMGLSA-N 1 3 316.445 2.953 20 0 DFADHO CC(C)[C@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)N1CCCCC1 ZINC000341047741 427979642 /nfs/dbraw/zinc/97/96/42/427979642.db2.gz BSQAQDFDUVNETL-FGTMMUONSA-N 1 3 323.525 2.876 20 0 DFADHO CC(C)[C@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)N1CCCCC1 ZINC000341047741 427979648 /nfs/dbraw/zinc/97/96/48/427979648.db2.gz BSQAQDFDUVNETL-FGTMMUONSA-N 1 3 323.525 2.876 20 0 DFADHO COC1(C[NH2+]CCc2ccc(OCCN(C)C)cc2)CCCC1 ZINC000359717579 427985199 /nfs/dbraw/zinc/98/51/99/427985199.db2.gz IXZZVADTLGXYKO-UHFFFAOYSA-N 1 3 320.477 2.718 20 0 DFADHO CC[N@H+](CCC1CCN(Cc2cncn2C)CC1)CC1CC1 ZINC000355903735 427941462 /nfs/dbraw/zinc/94/14/62/427941462.db2.gz VJHDBGFPYGDRGB-UHFFFAOYSA-N 1 3 304.482 2.754 20 0 DFADHO CC[N@@H+](CCC1CCN(Cc2cncn2C)CC1)CC1CC1 ZINC000355903735 427941464 /nfs/dbraw/zinc/94/14/64/427941464.db2.gz VJHDBGFPYGDRGB-UHFFFAOYSA-N 1 3 304.482 2.754 20 0 DFADHO CCN1CCC([NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000340181202 427946740 /nfs/dbraw/zinc/94/67/40/427946740.db2.gz MWKLCNHYTLPIFA-OALUTQOASA-N 1 3 301.478 2.896 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000359806279 428024490 /nfs/dbraw/zinc/02/44/90/428024490.db2.gz LWIKWUCXEIXFHC-DOTOQJQBSA-N 1 3 309.498 2.630 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000359806279 428024494 /nfs/dbraw/zinc/02/44/94/428024494.db2.gz LWIKWUCXEIXFHC-DOTOQJQBSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+]([C@@H](C)CCc2cccc(F)c2)CC1 ZINC000341332800 428033366 /nfs/dbraw/zinc/03/33/66/428033366.db2.gz WQWQQQFGEFSQTB-JKSUJKDBSA-N 1 3 322.468 2.924 20 0 DFADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000359845952 428043213 /nfs/dbraw/zinc/04/32/13/428043213.db2.gz CJILJGOQTIMTJZ-IAGOWNOFSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359845952 428043219 /nfs/dbraw/zinc/04/32/19/428043219.db2.gz CJILJGOQTIMTJZ-IAGOWNOFSA-N 1 3 321.509 2.632 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000356171398 428053276 /nfs/dbraw/zinc/05/32/76/428053276.db2.gz RLMCONIOLBINAD-HZPDHXFCSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H](Cc1nc(-c2ccccc2)no1)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000359884533 428059951 /nfs/dbraw/zinc/05/99/51/428059951.db2.gz YMVVXGFJUPMEGB-YCPHGPKFSA-N 1 3 314.433 2.740 20 0 DFADHO C[C@H](Cc1nc(-c2ccccc2)no1)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000359884533 428059956 /nfs/dbraw/zinc/05/99/56/428059956.db2.gz YMVVXGFJUPMEGB-YCPHGPKFSA-N 1 3 314.433 2.740 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000356248784 428088354 /nfs/dbraw/zinc/08/83/54/428088354.db2.gz FAVNGVCXEYYYKD-SZMVWBNQSA-N 1 3 319.493 2.961 20 0 DFADHO COC1(C[NH2+]Cc2ccc(OCCN(C)C)cc2)CCCC1 ZINC000359969595 428097810 /nfs/dbraw/zinc/09/78/10/428097810.db2.gz IOPCQBMWCRYQAG-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCN(CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000351861183 428112911 /nfs/dbraw/zinc/11/29/11/428112911.db2.gz JIQZJLVSXPWYML-NEPJUHHUSA-N 1 3 302.340 2.753 20 0 DFADHO CC(C)[C@@H]1C[C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)CS1 ZINC000377388228 428117184 /nfs/dbraw/zinc/11/71/84/428117184.db2.gz XDXFXQCDJCKVMZ-UAGQMJEPSA-N 1 3 312.523 2.607 20 0 DFADHO CC(C)[C@@H]1C[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)CS1 ZINC000377388229 428118521 /nfs/dbraw/zinc/11/85/21/428118521.db2.gz XDXFXQCDJCKVMZ-XIRDDKMYSA-N 1 3 312.523 2.607 20 0 DFADHO CC1CCN(C(=[NH2+])NCC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000341609053 428128539 /nfs/dbraw/zinc/12/85/39/428128539.db2.gz CROMOLONTFTRBK-HOTGVXAUSA-N 1 3 308.514 2.999 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C[C@H]1C ZINC000413498446 428063504 /nfs/dbraw/zinc/06/35/04/428063504.db2.gz MQSHEVLJXJAPET-MTSZKFMLSA-N 1 3 309.498 2.579 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C[C@H]1C ZINC000413498446 428063507 /nfs/dbraw/zinc/06/35/07/428063507.db2.gz MQSHEVLJXJAPET-MTSZKFMLSA-N 1 3 309.498 2.579 20 0 DFADHO COC(=O)c1ccc(CN(CCC[NH3+])CC2CCCC2)cc1 ZINC000352540390 428143024 /nfs/dbraw/zinc/14/30/24/428143024.db2.gz KOLLHXQHQXFYKF-UHFFFAOYSA-N 1 3 304.434 2.814 20 0 DFADHO Cc1nn(C)c2ncc(CN(CCC[NH3+])CC3CCCC3)cc12 ZINC000352546077 428144071 /nfs/dbraw/zinc/14/40/71/428144071.db2.gz PBIMSCAMFCDVRS-UHFFFAOYSA-N 1 3 315.465 2.618 20 0 DFADHO CC(C)CCNC(=[NH2+])NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000370160094 428146388 /nfs/dbraw/zinc/14/63/88/428146388.db2.gz FODIYWQVMLDTER-UKRRQHHQSA-N 1 3 308.495 2.901 20 0 DFADHO CC[C@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccc(F)cn1 ZINC000352553686 428146730 /nfs/dbraw/zinc/14/67/30/428146730.db2.gz DBVAODIUWHJSOA-KRWDZBQOSA-N 1 3 322.472 2.679 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCC[C@H]1C ZINC000346424612 428167500 /nfs/dbraw/zinc/16/75/00/428167500.db2.gz DLQHUPQAPSZNEY-KZNAEPCWSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCC[C@H]1C ZINC000346424612 428167505 /nfs/dbraw/zinc/16/75/05/428167505.db2.gz DLQHUPQAPSZNEY-KZNAEPCWSA-N 1 3 323.525 2.687 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)cn1 ZINC000414124920 428211684 /nfs/dbraw/zinc/21/16/84/428211684.db2.gz CKLYCCNTVAMJQM-HOTGVXAUSA-N 1 3 305.466 2.875 20 0 DFADHO COc1ccc(C[C@H](C)NCC[C@H](C)[NH+]2CCCCC2)cn1 ZINC000414124920 428211693 /nfs/dbraw/zinc/21/16/93/428211693.db2.gz CKLYCCNTVAMJQM-HOTGVXAUSA-N 1 3 305.466 2.875 20 0 DFADHO C[N@@H+]1CCC[C@H](CCN[C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000414203566 428232384 /nfs/dbraw/zinc/23/23/84/428232384.db2.gz ZMAHWBZBQSELPU-CZUORRHYSA-N 1 3 319.424 2.921 20 0 DFADHO C[N@H+]1CCC[C@H](CCN[C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000414203566 428232388 /nfs/dbraw/zinc/23/23/88/428232388.db2.gz ZMAHWBZBQSELPU-CZUORRHYSA-N 1 3 319.424 2.921 20 0 DFADHO CCc1cccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000346609898 428238356 /nfs/dbraw/zinc/23/83/56/428238356.db2.gz KKGDZSUUMPDXDN-KRWDZBQOSA-N 1 3 315.505 2.849 20 0 DFADHO CCc1cccc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000346609898 428238361 /nfs/dbraw/zinc/23/83/61/428238361.db2.gz KKGDZSUUMPDXDN-KRWDZBQOSA-N 1 3 315.505 2.849 20 0 DFADHO CCc1cccc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000346609898 428238367 /nfs/dbraw/zinc/23/83/67/428238367.db2.gz KKGDZSUUMPDXDN-KRWDZBQOSA-N 1 3 315.505 2.849 20 0 DFADHO COc1ccc(C[C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000414065030 428195211 /nfs/dbraw/zinc/19/52/11/428195211.db2.gz ODQZHYDQWJJXHD-CYBMUJFWSA-N 1 3 305.466 2.920 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@H]1C[C@H]1C ZINC000414065829 428195786 /nfs/dbraw/zinc/19/57/86/428195786.db2.gz GMIIHMGEIKJIEN-NEWSRXKRSA-N 1 3 316.493 2.618 20 0 DFADHO CC[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N(CC)CC ZINC000346670046 428266398 /nfs/dbraw/zinc/26/63/98/428266398.db2.gz SALNGTWVLMKFAM-KRWDZBQOSA-N 1 3 309.498 2.584 20 0 DFADHO CC[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)N(CC)CC ZINC000346670046 428266404 /nfs/dbraw/zinc/26/64/04/428266404.db2.gz SALNGTWVLMKFAM-KRWDZBQOSA-N 1 3 309.498 2.584 20 0 DFADHO O=C(N[C@H]1CCC[N@@H+](C2CCCCC2)C1)C12CCCN1CCC2 ZINC000377947368 428269310 /nfs/dbraw/zinc/26/93/10/428269310.db2.gz FSMSGAKLQQEVBM-INIZCTEOSA-N 1 3 319.493 2.528 20 0 DFADHO O=C(N[C@H]1CCC[N@H+](C2CCCCC2)C1)C12CCCN1CCC2 ZINC000377947368 428269313 /nfs/dbraw/zinc/26/93/13/428269313.db2.gz FSMSGAKLQQEVBM-INIZCTEOSA-N 1 3 319.493 2.528 20 0 DFADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)C12CCCN1CCC2 ZINC000370684037 428272795 /nfs/dbraw/zinc/27/27/95/428272795.db2.gz XPSFZTVVZPJBFS-UHFFFAOYSA-N 1 3 319.493 2.528 20 0 DFADHO COCCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000341896651 428244756 /nfs/dbraw/zinc/24/47/56/428244756.db2.gz IWVIESAMNGSRHP-BFYDXBDKSA-N 1 3 306.450 2.530 20 0 DFADHO CN1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)[C@@H]2CCC[C@@H]21 ZINC000370583276 428245494 /nfs/dbraw/zinc/24/54/94/428245494.db2.gz IVRFQTHUKAYLHF-KKUMJFAQSA-N 1 3 309.841 2.576 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOc2ccc(Cl)cn2)[C@@H]2CCC[C@@H]21 ZINC000370583276 428245498 /nfs/dbraw/zinc/24/54/98/428245498.db2.gz IVRFQTHUKAYLHF-KKUMJFAQSA-N 1 3 309.841 2.576 20 0 DFADHO C[N@H+]1CC[C@H](NCCOc2ccc(Cl)cn2)[C@@H]2CCC[C@@H]21 ZINC000370583276 428245505 /nfs/dbraw/zinc/24/55/05/428245505.db2.gz IVRFQTHUKAYLHF-KKUMJFAQSA-N 1 3 309.841 2.576 20 0 DFADHO C[NH2+]CCC1CCN(Cc2cc(OC)cc3c2O[C@H](C)C3)CC1 ZINC000346628109 428246235 /nfs/dbraw/zinc/24/62/35/428246235.db2.gz ANKXXVBTNZDBLQ-CQSZACIVSA-N 1 3 318.461 2.840 20 0 DFADHO C[NH2+]CCC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000346635484 428249839 /nfs/dbraw/zinc/24/98/39/428249839.db2.gz HEVWNLWFTOBLHT-UHFFFAOYSA-N 1 3 316.424 2.833 20 0 DFADHO C[NH+]1CCC([C@H]2CCN(Cc3cnn(C(C)(C)C)c3)C2)CC1 ZINC000377886768 428256807 /nfs/dbraw/zinc/25/68/07/428256807.db2.gz AWACWJUCOMFXDW-KRWDZBQOSA-N 1 3 304.482 2.802 20 0 DFADHO C[NH2+]CCC1CCN(Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000346648920 428256895 /nfs/dbraw/zinc/25/68/95/428256895.db2.gz BSDHCLJIFOFOKB-UHFFFAOYSA-N 1 3 312.461 2.909 20 0 DFADHO CC[C@H](NCCC[NH+]1CCC(O)CC1)c1cccc(OC)c1 ZINC000360339424 428258029 /nfs/dbraw/zinc/25/80/29/428258029.db2.gz UHCDCSYPWNIDDR-SFHVURJKSA-N 1 3 306.450 2.583 20 0 DFADHO C[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)N1[C@@H](C)CC[C@@H]1C ZINC000370909755 428317082 /nfs/dbraw/zinc/31/70/82/428317082.db2.gz VKOFDANSSPGWMW-QZWWFDLISA-N 1 3 321.509 2.723 20 0 DFADHO C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)N1[C@@H](C)CC[C@@H]1C ZINC000370909755 428317085 /nfs/dbraw/zinc/31/70/85/428317085.db2.gz VKOFDANSSPGWMW-QZWWFDLISA-N 1 3 321.509 2.723 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]12 ZINC000346827549 428333552 /nfs/dbraw/zinc/33/35/52/428333552.db2.gz SOAKCJRQDCHAEZ-UHOFOFEASA-N 1 3 316.836 2.899 20 0 DFADHO CCN1CCC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356842555 428333756 /nfs/dbraw/zinc/33/37/56/428333756.db2.gz KUFOUFTUJZEEQU-CQSZACIVSA-N 1 3 321.431 2.725 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]12 ZINC000346827552 428335650 /nfs/dbraw/zinc/33/56/50/428335650.db2.gz SOAKCJRQDCHAEZ-VBNZEHGJSA-N 1 3 316.836 2.899 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346826746 428335748 /nfs/dbraw/zinc/33/57/48/428335748.db2.gz MNIFVNMOTYQVDD-SZMVWBNQSA-N 1 3 310.445 2.944 20 0 DFADHO CCOCc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346844749 428341323 /nfs/dbraw/zinc/34/13/23/428341323.db2.gz JWHIPOSZAJCDDH-SZMVWBNQSA-N 1 3 318.461 2.791 20 0 DFADHO CC(C)CSCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000378248766 428345331 /nfs/dbraw/zinc/34/53/31/428345331.db2.gz ZXGRQFAXQHESDA-GVDBMIGSSA-N 1 3 314.539 2.949 20 0 DFADHO COc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1OC(F)F ZINC000414792353 428414076 /nfs/dbraw/zinc/41/40/76/428414076.db2.gz CDLFNHXXYJXLEO-QWHCGFSZSA-N 1 3 314.376 2.904 20 0 DFADHO c1nn(-c2ccccc2)cc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774041 428400694 /nfs/dbraw/zinc/40/06/94/428400694.db2.gz FCWZPWGANTXAHT-QZTJIDSGSA-N 1 3 310.445 2.694 20 0 DFADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000360690264 428401417 /nfs/dbraw/zinc/40/14/17/428401417.db2.gz MVWRECGOQNZWQC-MAUKXSAKSA-N 1 3 321.534 2.890 20 0 DFADHO [NH3+]C[C@@H]1CN(Cc2coc3ccccc23)CC12CCOCC2 ZINC000414772868 428402092 /nfs/dbraw/zinc/40/20/92/428402092.db2.gz CQZGONHLCUEEIJ-OAHLLOKOSA-N 1 3 300.402 2.620 20 0 DFADHO C[NH2+]CC1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000347003435 428403279 /nfs/dbraw/zinc/40/32/79/428403279.db2.gz LJRCXQRGGQQCJO-UHFFFAOYSA-N 1 3 302.447 2.637 20 0 DFADHO C[NH2+]CC1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000347003434 428403467 /nfs/dbraw/zinc/40/34/67/428403467.db2.gz LJKDXKKGSBTTQW-UHFFFAOYSA-N 1 3 302.397 2.647 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000414776922 428404893 /nfs/dbraw/zinc/40/48/93/428404893.db2.gz DXSFNWQLJALTED-AEFFLSMTSA-N 1 3 318.392 2.900 20 0 DFADHO C[NH2+]CC1CCN(Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000347004071 428405275 /nfs/dbraw/zinc/40/52/75/428405275.db2.gz NHOYWMFNTORIJM-UHFFFAOYSA-N 1 3 324.490 2.857 20 0 DFADHO c1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n(-c2ccccc2)n1 ZINC000414783142 428407708 /nfs/dbraw/zinc/40/77/08/428407708.db2.gz PKCWOJIVEWNVJM-DLBZAZTESA-N 1 3 310.445 2.694 20 0 DFADHO CC(=O)N1CC[C@@H]([NH2+]CCCN2CCCC2)c2ccccc2C1 ZINC000378493500 428412580 /nfs/dbraw/zinc/41/25/80/428412580.db2.gz IFLKLFONFPNSMO-LJQANCHMSA-N 1 3 315.461 2.555 20 0 DFADHO CC1CC[NH+](CCN2CC[C@H](N(C)Cc3ccccc3)C2)CC1 ZINC000372038756 428412661 /nfs/dbraw/zinc/41/26/61/428412661.db2.gz YJPDQMSOXVHBSW-FQEVSTJZSA-N 1 3 315.505 2.925 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414790847 428412855 /nfs/dbraw/zinc/41/28/55/428412855.db2.gz ALJZCJOGHUNDBC-XJKCOSOUSA-N 1 3 307.413 2.650 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414790847 428412858 /nfs/dbraw/zinc/41/28/58/428412858.db2.gz ALJZCJOGHUNDBC-XJKCOSOUSA-N 1 3 307.413 2.650 20 0 DFADHO CCCN1CCC([NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)CC1 ZINC000360582833 428356949 /nfs/dbraw/zinc/35/69/49/428356949.db2.gz QWVRZOHCDICOPF-SFHVURJKSA-N 1 3 317.477 2.670 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2C[C@@H]2C(F)F)CC1 ZINC000342224672 428358001 /nfs/dbraw/zinc/35/80/01/428358001.db2.gz JBHBXWYJZNPRRC-GJZGRUSLSA-N 1 3 309.404 2.572 20 0 DFADHO CCc1cccnc1[C@H](C)[NH2+]C[C@H](C)CN1CCN(CC)CC1 ZINC000356908431 428358271 /nfs/dbraw/zinc/35/82/71/428358271.db2.gz XPGHKGGPJJSYDY-IRXDYDNUSA-N 1 3 318.509 2.568 20 0 DFADHO C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(OCCN(C)C)cc1 ZINC000346893658 428361018 /nfs/dbraw/zinc/36/10/18/428361018.db2.gz YBIDQMHFULIQHM-HZPDHXFCSA-N 1 3 306.450 2.704 20 0 DFADHO CC1(C)Cc2cc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)ccc2O1 ZINC000414676042 428372715 /nfs/dbraw/zinc/37/27/15/428372715.db2.gz UQTZPWBAXMFDSM-USXIJHARSA-N 1 3 300.446 2.959 20 0 DFADHO CC1(C)Cc2cc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)ccc2O1 ZINC000414676047 428372769 /nfs/dbraw/zinc/37/27/69/428372769.db2.gz UQTZPWBAXMFDSM-XIRDDKMYSA-N 1 3 300.446 2.959 20 0 DFADHO CCN(C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000414693871 428379282 /nfs/dbraw/zinc/37/92/82/428379282.db2.gz MMJGRZXZBAABAW-LZLYRXPVSA-N 1 3 315.461 2.502 20 0 DFADHO CC(C)c1ccccc1NC(=O)C[C@H](C)N[C@H](C[NH3+])C1CC1 ZINC000414792024 428413698 /nfs/dbraw/zinc/41/36/98/428413698.db2.gz BUVFQRKUMQLYOU-SUMWQHHRSA-N 1 3 303.450 2.854 20 0 DFADHO CCN(CC(=O)Nc1c(C)cccc1C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414713054 428383966 /nfs/dbraw/zinc/38/39/66/428383966.db2.gz UVGUAIDDQQVXAU-DLBZAZTESA-N 1 3 317.477 2.952 20 0 DFADHO CCN(CC(=O)Nc1c(C)cccc1C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414713066 428384068 /nfs/dbraw/zinc/38/40/68/428384068.db2.gz UVGUAIDDQQVXAU-SJORKVTESA-N 1 3 317.477 2.952 20 0 DFADHO Clc1ccc(CN2CCC([NH2+][C@@H]3CCCNC3)CC2)cc1 ZINC000414859531 428436685 /nfs/dbraw/zinc/43/66/85/428436685.db2.gz BABIWEFMGCTHHX-QGZVFWFLSA-N 1 3 307.869 2.646 20 0 DFADHO Clc1ccc(CN2CCC(N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414859531 428436692 /nfs/dbraw/zinc/43/66/92/428436692.db2.gz BABIWEFMGCTHHX-QGZVFWFLSA-N 1 3 307.869 2.646 20 0 DFADHO CCC[NH2+]CCNC1CCN(Cc2ccccc2Cl)CC1 ZINC000414864914 428437842 /nfs/dbraw/zinc/43/78/42/428437842.db2.gz DIEVDHUFJFDIBZ-UHFFFAOYSA-N 1 3 309.885 2.894 20 0 DFADHO CCCNCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414864914 428437844 /nfs/dbraw/zinc/43/78/44/428437844.db2.gz DIEVDHUFJFDIBZ-UHFFFAOYSA-N 1 3 309.885 2.894 20 0 DFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]3(F)CCNC3)cc2)C1 ZINC000372397154 428438021 /nfs/dbraw/zinc/43/80/21/428438021.db2.gz AQFCSSOWMRACEG-KDOFPFPSSA-N 1 3 319.424 2.559 20 0 DFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]3(F)CCNC3)cc2)C1 ZINC000372397154 428438025 /nfs/dbraw/zinc/43/80/25/428438025.db2.gz AQFCSSOWMRACEG-KDOFPFPSSA-N 1 3 319.424 2.559 20 0 DFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]3(F)CCNC3)cc2)C1 ZINC000372397153 428438398 /nfs/dbraw/zinc/43/83/98/428438398.db2.gz AQFCSSOWMRACEG-KBXCAEBGSA-N 1 3 319.424 2.559 20 0 DFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]3(F)CCNC3)cc2)C1 ZINC000372397153 428438403 /nfs/dbraw/zinc/43/84/03/428438403.db2.gz AQFCSSOWMRACEG-KBXCAEBGSA-N 1 3 319.424 2.559 20 0 DFADHO C[C@H](C[NH3+])CNCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414876284 428441690 /nfs/dbraw/zinc/44/16/90/428441690.db2.gz LCEQDCWQNPVJHR-OAHLLOKOSA-N 1 3 321.428 2.619 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC[C@H](C)C1 ZINC000357221102 428441852 /nfs/dbraw/zinc/44/18/52/428441852.db2.gz QMJFTFXXQSTSFO-OKZBNKHCSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC[C@H](C)C1 ZINC000357221102 428441858 /nfs/dbraw/zinc/44/18/58/428441858.db2.gz QMJFTFXXQSTSFO-OKZBNKHCSA-N 1 3 323.525 2.687 20 0 DFADHO C[NH2+]CC1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000347094530 428442149 /nfs/dbraw/zinc/44/21/49/428442149.db2.gz HJXABRQHHBUCNN-UHFFFAOYSA-N 1 3 302.397 2.647 20 0 DFADHO COCC[NH2+]CCNC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414880306 428443816 /nfs/dbraw/zinc/44/38/16/428443816.db2.gz IVLCIBHGWUZXHV-GFCCVEGCSA-N 1 3 304.356 2.635 20 0 DFADHO C[C@H]([NH3+])C1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000347099991 428444298 /nfs/dbraw/zinc/44/42/98/428444298.db2.gz JYXNQUQLVOCYEU-LBPRGKRZSA-N 1 3 302.397 2.775 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)C1CCC(F)(F)CC1 ZINC000353244355 428448056 /nfs/dbraw/zinc/44/80/56/428448056.db2.gz QEEJCMJVBROZKJ-HNNXBMFYSA-N 1 3 317.468 2.818 20 0 DFADHO Cc1ccc(CNC[C@@]2(C)CCC[NH2+]C2)c(-c2ccnn2C)c1 ZINC000414902372 428451748 /nfs/dbraw/zinc/45/17/48/428451748.db2.gz HFRMEKQPKGYTJU-IBGZPJMESA-N 1 3 312.461 2.875 20 0 DFADHO Cc1ccc(C[NH2+]C[C@@]2(C)CCCNC2)c(-c2ccnn2C)c1 ZINC000414902372 428451754 /nfs/dbraw/zinc/45/17/54/428451754.db2.gz HFRMEKQPKGYTJU-IBGZPJMESA-N 1 3 312.461 2.875 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@]2(C)CCC[NH2+]C2)c(C)c1 ZINC000414920517 428456490 /nfs/dbraw/zinc/45/64/90/428456490.db2.gz ZOKXWMXFSKIXNV-QFBILLFUSA-N 1 3 317.477 3.000 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(C)CCCNC2)c(C)c1 ZINC000414920517 428456494 /nfs/dbraw/zinc/45/64/94/428456494.db2.gz ZOKXWMXFSKIXNV-QFBILLFUSA-N 1 3 317.477 3.000 20 0 DFADHO COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414920069 428456883 /nfs/dbraw/zinc/45/68/83/428456883.db2.gz YLCKYERDFOGZKZ-ZWKOTPCHSA-N 1 3 308.441 2.753 20 0 DFADHO COCC[C@@H](Cc1cccc(F)c1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414920069 428456886 /nfs/dbraw/zinc/45/68/86/428456886.db2.gz YLCKYERDFOGZKZ-ZWKOTPCHSA-N 1 3 308.441 2.753 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@H]2CC[NH2+]C2)cc1Cl ZINC000414916209 428457639 /nfs/dbraw/zinc/45/76/39/428457639.db2.gz PBBSHMQEFPIHHK-STQMWFEESA-N 1 3 309.841 2.565 20 0 DFADHO COc1ccc(C[NH2+][C@H](C)CN)cc1OCc1ccccc1 ZINC000414926979 428461328 /nfs/dbraw/zinc/46/13/28/428461328.db2.gz KMFJMCSXBNVRCJ-CQSZACIVSA-N 1 3 300.402 2.711 20 0 DFADHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414946123 428464394 /nfs/dbraw/zinc/46/43/94/428464394.db2.gz SPZUXTLLFBJBGR-RDTXWAMCSA-N 1 3 321.896 2.892 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CC2CCN(C)CC2)C1 ZINC000347035412 428415616 /nfs/dbraw/zinc/41/56/16/428415616.db2.gz UQLMSCUSZBQGCE-HZPDHXFCSA-N 1 3 323.525 2.591 20 0 DFADHO COc1cc(CN[C@H]2CCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000414801054 428415620 /nfs/dbraw/zinc/41/56/20/428415620.db2.gz SYYLXJBIPDIDMZ-NEPJUHHUSA-N 1 3 300.349 2.514 20 0 DFADHO CCOc1cc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc(Cl)c1OC ZINC000414801805 428417283 /nfs/dbraw/zinc/41/72/83/428417283.db2.gz UVKGALCMBWHYGJ-TZMCWYRMSA-N 1 3 312.841 2.964 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cnc(-c2ccccn2)s1 ZINC000414812166 428418014 /nfs/dbraw/zinc/41/80/14/428418014.db2.gz WZGNFQHRVANNKO-OCCSQVGLSA-N 1 3 302.447 2.812 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H]2CN)c1C ZINC000414808999 428419051 /nfs/dbraw/zinc/41/90/51/428419051.db2.gz SZYMIXDPALXEKP-JLJPHGGASA-N 1 3 303.450 2.738 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@H]2C[NH3+])c1C ZINC000414808999 428419057 /nfs/dbraw/zinc/41/90/57/428419057.db2.gz SZYMIXDPALXEKP-JLJPHGGASA-N 1 3 303.450 2.738 20 0 DFADHO CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353181594 428420021 /nfs/dbraw/zinc/42/00/21/428420021.db2.gz HVCBFGWCFIJDNI-NJAFHUGGSA-N 1 3 317.477 2.673 20 0 DFADHO CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353181594 428420024 /nfs/dbraw/zinc/42/00/24/428420024.db2.gz HVCBFGWCFIJDNI-NJAFHUGGSA-N 1 3 317.477 2.673 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C1CC1 ZINC000414812009 428420132 /nfs/dbraw/zinc/42/01/32/428420132.db2.gz OYEPEBJHZVMIHE-ABAIWWIYSA-N 1 3 309.841 2.692 20 0 DFADHO CCOc1c(OC)cc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414813492 428420950 /nfs/dbraw/zinc/42/09/50/428420950.db2.gz YKHUSXFBSCDWJR-CABCVRRESA-N 1 3 322.449 2.710 20 0 DFADHO CCCC[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000414816781 428421415 /nfs/dbraw/zinc/42/14/15/428421415.db2.gz QPHFBIODXSWBNZ-ZFWWWQNUSA-N 1 3 307.438 2.519 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])C2CC2)c(Cl)c1 ZINC000414812633 428421634 /nfs/dbraw/zinc/42/16/34/428421634.db2.gz XQNNLAHNAJJTQM-IAQYHMDHSA-N 1 3 309.841 2.692 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000414821642 428423998 /nfs/dbraw/zinc/42/39/98/428423998.db2.gz BGVXIVLVACMYAY-CVEARBPZSA-N 1 3 303.450 2.610 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCNC2)c(C)c1 ZINC000414821642 428424006 /nfs/dbraw/zinc/42/40/06/428424006.db2.gz BGVXIVLVACMYAY-CVEARBPZSA-N 1 3 303.450 2.610 20 0 DFADHO CN(C[C@@H](O)Cc1cccc(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000347048028 428424133 /nfs/dbraw/zinc/42/41/33/428424133.db2.gz HRWRFZGNRXRIAQ-RDJZCZTQSA-N 1 3 310.869 2.517 20 0 DFADHO CN(C[C@@H](O)Cc1cccc(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000347048028 428424141 /nfs/dbraw/zinc/42/41/41/428424141.db2.gz HRWRFZGNRXRIAQ-RDJZCZTQSA-N 1 3 310.869 2.517 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414829877 428426397 /nfs/dbraw/zinc/42/63/97/428426397.db2.gz BOWVPIVVNKDZIA-QWRGUYRKSA-N 1 3 317.246 2.964 20 0 DFADHO COc1ccc(OC(F)F)c(CNCCC[C@H]2CCC[NH2+]2)c1 ZINC000414982667 428481108 /nfs/dbraw/zinc/48/11/08/428481108.db2.gz YUGZQSPFLIYYBF-ZDUSSCGKSA-N 1 3 314.376 2.918 20 0 DFADHO CCOc1ccc(C(C)=O)cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000391888095 428482166 /nfs/dbraw/zinc/48/21/66/428482166.db2.gz YVAXFBIZWUECHP-CALCHBBNSA-N 1 3 316.445 2.719 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CNCCC3(F)F)CC2)C1 ZINC000414991132 428482741 /nfs/dbraw/zinc/48/27/41/428482741.db2.gz AJUAGSUUMYUDCJ-FVQBIDKESA-N 1 3 315.452 2.616 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414999951 428484420 /nfs/dbraw/zinc/48/44/20/428484420.db2.gz JQJIKOBCKZHVHY-RISCZKNCSA-N 1 3 310.825 2.734 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414999953 428485431 /nfs/dbraw/zinc/48/54/31/428485431.db2.gz JQJIKOBCKZHVHY-SMDDNHRTSA-N 1 3 310.825 2.734 20 0 DFADHO Clc1cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc2c1OCCO2 ZINC000415003927 428485551 /nfs/dbraw/zinc/48/55/51/428485551.db2.gz GVOBBSPCNHQTCO-DZGCQCFKSA-N 1 3 322.836 2.589 20 0 DFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000394357288 428488582 /nfs/dbraw/zinc/48/85/82/428488582.db2.gz YIRSGLTVQPZIJL-SQNIBIBYSA-N 1 3 315.461 2.552 20 0 DFADHO [NH3+]C[C@@H]1CC[C@@H](NCc2ccc(Br)cc2F)C1 ZINC000415029068 428492849 /nfs/dbraw/zinc/49/28/49/428492849.db2.gz DFMHYOQSEJOUHN-BXKDBHETSA-N 1 3 301.203 2.805 20 0 DFADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CNCCCO1 ZINC000415029380 428492971 /nfs/dbraw/zinc/49/29/71/428492971.db2.gz AWFKKVRTURFDMR-IUODEOHRSA-N 1 3 316.367 2.605 20 0 DFADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000395368819 428494732 /nfs/dbraw/zinc/49/47/32/428494732.db2.gz OBZAYSHSELGOCX-PKOBYXMFSA-N 1 3 315.505 2.971 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C1(C(=O)OC)CCC1 ZINC000353357621 428501374 /nfs/dbraw/zinc/50/13/74/428501374.db2.gz WJKGRJTUDLZRBE-HZPDHXFCSA-N 1 3 310.482 2.962 20 0 DFADHO CC[C@@H](NCCC[N@@H+]1CCCC[C@H]1C)C1(C(=O)OC)CCC1 ZINC000353357621 428501378 /nfs/dbraw/zinc/50/13/78/428501378.db2.gz WJKGRJTUDLZRBE-HZPDHXFCSA-N 1 3 310.482 2.962 20 0 DFADHO CC[C@@H](NCCC[N@H+]1CCCC[C@H]1C)C1(C(=O)OC)CCC1 ZINC000353357621 428501382 /nfs/dbraw/zinc/50/13/82/428501382.db2.gz WJKGRJTUDLZRBE-HZPDHXFCSA-N 1 3 310.482 2.962 20 0 DFADHO Cc1ccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000415133411 428531440 /nfs/dbraw/zinc/53/14/40/428531440.db2.gz VFLCKXGGIRCFSR-NVXWUHKLSA-N 1 3 312.461 2.812 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NCCC[NH2+]C1CC1 ZINC000415064174 428508017 /nfs/dbraw/zinc/50/80/17/428508017.db2.gz BUULFUNSLMSACQ-GFCCVEGCSA-N 1 3 309.841 2.789 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCCNC1CC1 ZINC000415064174 428508019 /nfs/dbraw/zinc/50/80/19/428508019.db2.gz BUULFUNSLMSACQ-GFCCVEGCSA-N 1 3 309.841 2.789 20 0 DFADHO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CCNCC1 ZINC000415076645 428512077 /nfs/dbraw/zinc/51/20/77/428512077.db2.gz DEPRYMKJTMNSCJ-SNVBAGLBSA-N 1 3 315.230 2.861 20 0 DFADHO C[C@H](Cc1ccc(F)c(Br)c1)NC1CC[NH2+]CC1 ZINC000415076645 428512082 /nfs/dbraw/zinc/51/20/82/428512082.db2.gz DEPRYMKJTMNSCJ-SNVBAGLBSA-N 1 3 315.230 2.861 20 0 DFADHO Cc1ccoc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397532139 428512610 /nfs/dbraw/zinc/51/26/10/428512610.db2.gz ZVQBJZROODUIGQ-UHFFFAOYSA-N 1 3 314.429 2.705 20 0 DFADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000415079171 428513162 /nfs/dbraw/zinc/51/31/62/428513162.db2.gz HSASFWCMPXOWOD-MDZRGWNJSA-N 1 3 316.493 2.727 20 0 DFADHO C[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1)[C@H]1CC[NH2+]C1 ZINC000415090812 428516477 /nfs/dbraw/zinc/51/64/77/428516477.db2.gz ZQIJZSGEBUBFDR-SOUVJXGZSA-N 1 3 307.869 2.896 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000415094671 428518072 /nfs/dbraw/zinc/51/80/72/428518072.db2.gz FJNVYOQYFFRUDL-QXAKKESOSA-N 1 3 304.478 2.799 20 0 DFADHO COc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1C ZINC000415130351 428531843 /nfs/dbraw/zinc/53/18/43/428531843.db2.gz QPQUBGPRIOWGGZ-MJGOQNOKSA-N 1 3 318.461 2.722 20 0 DFADHO C[C@@H](NC[C@H]1CC[NH2+][C@H](C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000415094034 428519493 /nfs/dbraw/zinc/51/94/93/428519493.db2.gz DEHJXYZLGWMUSP-UPJWGTAASA-N 1 3 318.396 2.914 20 0 DFADHO C[N@@H+]1CC[C@H](NCCNC(=O)CC2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000353399709 428521562 /nfs/dbraw/zinc/52/15/62/428521562.db2.gz CUCXBABKKBHXPB-OKZBNKHCSA-N 1 3 321.509 2.535 20 0 DFADHO C[N@H+]1CC[C@H](NCCNC(=O)CC2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000353399709 428521567 /nfs/dbraw/zinc/52/15/67/428521567.db2.gz CUCXBABKKBHXPB-OKZBNKHCSA-N 1 3 321.509 2.535 20 0 DFADHO CN1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000353409260 428523444 /nfs/dbraw/zinc/52/34/44/428523444.db2.gz WEVRBGMBFVVXJC-JQFCIGGWSA-N 1 3 310.388 2.806 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOc2ccc(F)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000353409260 428523446 /nfs/dbraw/zinc/52/34/46/428523446.db2.gz WEVRBGMBFVVXJC-JQFCIGGWSA-N 1 3 310.388 2.806 20 0 DFADHO C[N@H+]1CC[C@H](NCCOc2ccc(F)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000353409260 428523450 /nfs/dbraw/zinc/52/34/50/428523450.db2.gz WEVRBGMBFVVXJC-JQFCIGGWSA-N 1 3 310.388 2.806 20 0 DFADHO CC(C)(C)C[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1(C)C ZINC000415115413 428524800 /nfs/dbraw/zinc/52/48/00/428524800.db2.gz DRPMNHXBODIPHB-JKSUJKDBSA-N 1 3 323.525 2.720 20 0 DFADHO CC(C)(C)C[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1(C)C ZINC000415115413 428524804 /nfs/dbraw/zinc/52/48/04/428524804.db2.gz DRPMNHXBODIPHB-JKSUJKDBSA-N 1 3 323.525 2.720 20 0 DFADHO C[C@H]1NCCC[C@@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414955261 428473251 /nfs/dbraw/zinc/47/32/51/428473251.db2.gz ODLRCEIKJYEYNE-BEFAXECRSA-N 1 3 319.468 2.563 20 0 DFADHO COc1cccc(CNCCC[C@H]2CCC[NH2+]2)c1OC(F)F ZINC000414966487 428474467 /nfs/dbraw/zinc/47/44/67/428474467.db2.gz GKDQHMSDQHVWBW-ZDUSSCGKSA-N 1 3 314.376 2.918 20 0 DFADHO COc1ccc2nc(CNCCC[C@H]3CCC[NH2+]3)sc2c1 ZINC000414968047 428477979 /nfs/dbraw/zinc/47/79/79/428477979.db2.gz RDEPSJACWPLPNY-LBPRGKRZSA-N 1 3 305.447 2.927 20 0 DFADHO C[C@H]1CCC[C@H]1[NH2+]CC1(N)CCN(Cc2ccccc2)CC1 ZINC000415132673 428532245 /nfs/dbraw/zinc/53/22/45/428532245.db2.gz LLJRFMBBQOWAJS-FUHWJXTLSA-N 1 3 301.478 2.758 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H](c2ccco2)N2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000353442205 428536969 /nfs/dbraw/zinc/53/69/69/428536969.db2.gz OVFKWKOIZVJVKP-XLAORIBOSA-N 1 3 317.477 2.879 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H](c2ccco2)N2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000353442205 428536971 /nfs/dbraw/zinc/53/69/71/428536971.db2.gz OVFKWKOIZVJVKP-XLAORIBOSA-N 1 3 317.477 2.879 20 0 DFADHO CN1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000353442205 428536976 /nfs/dbraw/zinc/53/69/76/428536976.db2.gz OVFKWKOIZVJVKP-XLAORIBOSA-N 1 3 317.477 2.879 20 0 DFADHO CC(C)[C@H](CN(C)Cc1ccccc1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400337545 428544429 /nfs/dbraw/zinc/54/44/29/428544429.db2.gz DRTCNDVXWIBTMX-QRQLOZEOSA-N 1 3 303.494 2.731 20 0 DFADHO COc1ccc(OCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1 ZINC000353456717 428544446 /nfs/dbraw/zinc/54/44/46/428544446.db2.gz WPOUYKPNPRDXNB-KSZLIROESA-N 1 3 304.434 2.536 20 0 DFADHO COc1ccc(OCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000353456717 428544451 /nfs/dbraw/zinc/54/44/51/428544451.db2.gz WPOUYKPNPRDXNB-KSZLIROESA-N 1 3 304.434 2.536 20 0 DFADHO COc1ccc(OCCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000353456717 428544454 /nfs/dbraw/zinc/54/44/54/428544454.db2.gz WPOUYKPNPRDXNB-KSZLIROESA-N 1 3 304.434 2.536 20 0 DFADHO COCCOc1ccccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000353465823 428550040 /nfs/dbraw/zinc/55/00/40/428550040.db2.gz ZLDCRVUWTKJLMC-KZNAEPCWSA-N 1 3 318.461 2.674 20 0 DFADHO C[N@@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)[C@@H]2CCC[C@H]21 ZINC000353498748 428566422 /nfs/dbraw/zinc/56/64/22/428566422.db2.gz BLVMAXFSZVHFNQ-SLFFLAALSA-N 1 3 324.472 2.877 20 0 DFADHO C[N@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)[C@@H]2CCC[C@H]21 ZINC000353498748 428566430 /nfs/dbraw/zinc/56/64/30/428566430.db2.gz BLVMAXFSZVHFNQ-SLFFLAALSA-N 1 3 324.472 2.877 20 0 DFADHO CC(C)n1cc2c(n1)C[C@H](N[C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000358287152 428594583 /nfs/dbraw/zinc/59/45/83/428594583.db2.gz IWDPROZZPLWYII-IKGGRYGDSA-N 1 3 302.466 2.538 20 0 DFADHO CC(C)n1cc2c(n1)C[C@H](N[C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000358287152 428594588 /nfs/dbraw/zinc/59/45/88/428594588.db2.gz IWDPROZZPLWYII-IKGGRYGDSA-N 1 3 302.466 2.538 20 0 DFADHO OC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000353509010 428570166 /nfs/dbraw/zinc/57/01/66/428570166.db2.gz IICYVWGMVHHIJI-LWYYNNOASA-N 1 3 314.473 2.505 20 0 DFADHO CN1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@H]2CCC[C@@H]21 ZINC000353514228 428572090 /nfs/dbraw/zinc/57/20/90/428572090.db2.gz BUDRJFKUCWOIJU-QYZOEREBSA-N 1 3 305.510 2.856 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)N(C)Cc1ccccc1 ZINC000353518010 428573070 /nfs/dbraw/zinc/57/30/70/428573070.db2.gz KAUQKPVGJZXJIS-GSEOLPGOSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)N(C)Cc1ccccc1 ZINC000353518010 428573074 /nfs/dbraw/zinc/57/30/74/428573074.db2.gz KAUQKPVGJZXJIS-GSEOLPGOSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)N(C)Cc1ccccc1 ZINC000353518010 428573079 /nfs/dbraw/zinc/57/30/79/428573079.db2.gz KAUQKPVGJZXJIS-GSEOLPGOSA-N 1 3 315.505 2.969 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2cccc(-n3ccnc3)c2)[C@H]2CCC[C@@H]21 ZINC000353521583 428574738 /nfs/dbraw/zinc/57/47/38/428574738.db2.gz QFJBQZPJWJNYTJ-QYZOEREBSA-N 1 3 310.445 2.835 20 0 DFADHO C[N@H+]1CC[C@H](NCc2cccc(-n3ccnc3)c2)[C@H]2CCC[C@@H]21 ZINC000353521583 428574742 /nfs/dbraw/zinc/57/47/42/428574742.db2.gz QFJBQZPJWJNYTJ-QYZOEREBSA-N 1 3 310.445 2.835 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CCc2ccccc2)C[C@H]1C ZINC000347441578 428580096 /nfs/dbraw/zinc/58/00/96/428580096.db2.gz PCPAZOPTUVCFJF-NZSAHSFTSA-N 1 3 304.478 2.785 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)CCc2ccccc2)C[C@H]1C ZINC000347441578 428580098 /nfs/dbraw/zinc/58/00/98/428580098.db2.gz PCPAZOPTUVCFJF-NZSAHSFTSA-N 1 3 304.478 2.785 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000361973951 428608624 /nfs/dbraw/zinc/60/86/24/428608624.db2.gz ZSPDAIPPYUHSOR-BEFAXECRSA-N 1 3 305.510 2.856 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccccc1CNC ZINC000415901846 428622422 /nfs/dbraw/zinc/62/24/22/428622422.db2.gz NNXSACHIBLOVRQ-AWEZNQCLSA-N 1 3 306.454 2.648 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccccc1CNC ZINC000415901846 428622429 /nfs/dbraw/zinc/62/24/29/428622429.db2.gz NNXSACHIBLOVRQ-AWEZNQCLSA-N 1 3 306.454 2.648 20 0 DFADHO CC[NH+]1CCC(CCNC(=O)Nc2ccccc2CNC)CC1 ZINC000415910130 428624848 /nfs/dbraw/zinc/62/48/48/428624848.db2.gz HFTASDTTXUWTHU-UHFFFAOYSA-N 1 3 318.465 2.650 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000415920735 428626066 /nfs/dbraw/zinc/62/60/66/428626066.db2.gz PGYHBMBEPBJTCN-CQSZACIVSA-N 1 3 316.449 2.568 20 0 DFADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000344299963 428627967 /nfs/dbraw/zinc/62/79/67/428627967.db2.gz GNBVUZINDIFWDU-OAHLLOKOSA-N 1 3 313.445 2.726 20 0 DFADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000344299963 428627973 /nfs/dbraw/zinc/62/79/73/428627973.db2.gz GNBVUZINDIFWDU-OAHLLOKOSA-N 1 3 313.445 2.726 20 0 DFADHO CN(C)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000415962919 428638071 /nfs/dbraw/zinc/63/80/71/428638071.db2.gz UMPVNZUDBYORRB-QGZVFWFLSA-N 1 3 312.417 2.570 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000415998441 428645105 /nfs/dbraw/zinc/64/51/05/428645105.db2.gz RYRACLAVTNNCGH-UHFFFAOYSA-N 1 3 318.465 2.923 20 0 DFADHO CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000353666189 428646397 /nfs/dbraw/zinc/64/63/97/428646397.db2.gz YNCTXAZUQUNDPX-UNEWFSDZSA-N 1 3 323.506 2.765 20 0 DFADHO CC1(C)CCC[C@H]([NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000353667284 428649996 /nfs/dbraw/zinc/64/99/96/428649996.db2.gz CAYJMCQPHBKKBI-INIZCTEOSA-N 1 3 309.498 2.537 20 0 DFADHO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000362194714 428656957 /nfs/dbraw/zinc/65/69/57/428656957.db2.gz KBAJWKWKMDVAOD-IRXDYDNUSA-N 1 3 310.482 2.915 20 0 DFADHO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000362194714 428656962 /nfs/dbraw/zinc/65/69/62/428656962.db2.gz KBAJWKWKMDVAOD-IRXDYDNUSA-N 1 3 310.482 2.915 20 0 DFADHO CC(C)[NH+]1CCC(NC[C@H](CO)c2ccccc2Cl)CC1 ZINC000348208316 428657075 /nfs/dbraw/zinc/65/70/75/428657075.db2.gz STXAJCSUVGXUEU-CQSZACIVSA-N 1 3 310.869 2.878 20 0 DFADHO CCCC[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000353702972 428667191 /nfs/dbraw/zinc/66/71/91/428667191.db2.gz KTPAUOODHBDRTG-IKGGRYGDSA-N 1 3 309.498 2.617 20 0 DFADHO CCCC[C@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000353702972 428667196 /nfs/dbraw/zinc/66/71/96/428667196.db2.gz KTPAUOODHBDRTG-IKGGRYGDSA-N 1 3 309.498 2.617 20 0 DFADHO CC[C@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)N(CC)CC ZINC000344540913 428675566 /nfs/dbraw/zinc/67/55/66/428675566.db2.gz KQVCYRNFSMUCAH-IAGOWNOFSA-N 1 3 311.514 2.878 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCNc1ccccn1 ZINC000269052883 274355186 /nfs/dbraw/zinc/35/51/86/274355186.db2.gz RNYRHPYISFCNJH-IEBWSBKVSA-N 1 3 324.472 2.994 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCNc1ccccn1 ZINC000269052883 274355187 /nfs/dbraw/zinc/35/51/87/274355187.db2.gz RNYRHPYISFCNJH-IEBWSBKVSA-N 1 3 324.472 2.994 20 0 DFADHO CO[C@]1(C)CCCN(C/C=C/C[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348235612 428672887 /nfs/dbraw/zinc/67/28/87/428672887.db2.gz MDCGKDCUNDDIEV-PJHKVULZSA-N 1 3 310.482 2.544 20 0 DFADHO CO[C@]1(C)CCCN(C/C=C/C[N@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348235612 428672891 /nfs/dbraw/zinc/67/28/91/428672891.db2.gz MDCGKDCUNDDIEV-PJHKVULZSA-N 1 3 310.482 2.544 20 0 DFADHO CC[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)N(CC)CC ZINC000344540913 428675558 /nfs/dbraw/zinc/67/55/58/428675558.db2.gz KQVCYRNFSMUCAH-IAGOWNOFSA-N 1 3 311.514 2.878 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@H](O)COC(C)(C)C ZINC000348301223 428700454 /nfs/dbraw/zinc/70/04/54/428700454.db2.gz GBBOUIVIYZQEAY-ULQDDVLXSA-N 1 3 314.514 2.653 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000348301223 428700457 /nfs/dbraw/zinc/70/04/57/428700457.db2.gz GBBOUIVIYZQEAY-ULQDDVLXSA-N 1 3 314.514 2.653 20 0 DFADHO Cc1cccc(NC[C@@H]2CCCN2CC[C@@H]2CCC[N@H+]2C)n1 ZINC000362400189 428733643 /nfs/dbraw/zinc/73/36/43/428733643.db2.gz FQJDYSASXJRPEC-IRXDYDNUSA-N 1 3 302.466 2.751 20 0 DFADHO Cc1cccc(NC[C@@H]2CCCN2CC[C@@H]2CCC[N@@H+]2C)n1 ZINC000362400189 428733650 /nfs/dbraw/zinc/73/36/50/428733650.db2.gz FQJDYSASXJRPEC-IRXDYDNUSA-N 1 3 302.466 2.751 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H](CO)c2ccccc2Cl)[C@@H]2CCC[C@H]21 ZINC000348335981 428711224 /nfs/dbraw/zinc/71/12/24/428711224.db2.gz RGULGMIACNAPOU-HUHSQHJXSA-N 1 3 322.880 2.878 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H](CO)c2ccccc2Cl)[C@@H]2CCC[C@H]21 ZINC000348335981 428711228 /nfs/dbraw/zinc/71/12/28/428711228.db2.gz RGULGMIACNAPOU-HUHSQHJXSA-N 1 3 322.880 2.878 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](CO)c1ccccc1Cl ZINC000348383608 428728219 /nfs/dbraw/zinc/72/82/19/428728219.db2.gz DPDBMTQPTKYBLP-VWPFQQQWSA-N 1 3 310.869 2.734 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](CO)c1ccccc1Cl ZINC000348383608 428728223 /nfs/dbraw/zinc/72/82/23/428728223.db2.gz DPDBMTQPTKYBLP-VWPFQQQWSA-N 1 3 310.869 2.734 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](CO)c2ccccc2Cl)[C@H](C)C1 ZINC000348403398 428734303 /nfs/dbraw/zinc/73/43/03/428734303.db2.gz LVGGUHNOEFFESI-CPUCHLNUSA-N 1 3 310.869 2.736 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](CO)c2ccccc2Cl)[C@H](C)C1 ZINC000348403398 428734308 /nfs/dbraw/zinc/73/43/08/428734308.db2.gz LVGGUHNOEFFESI-CPUCHLNUSA-N 1 3 310.869 2.736 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000348258321 428681382 /nfs/dbraw/zinc/68/13/82/428681382.db2.gz AARYFQJTLCBBMX-RAUXBKROSA-N 1 3 315.505 2.969 20 0 DFADHO CN(C)[C@@H](CC(=O)N1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000416225788 428692141 /nfs/dbraw/zinc/69/21/41/428692141.db2.gz TXXROCRBBMSLJL-ROUUACIJSA-N 1 3 317.477 2.622 20 0 DFADHO CC[NH+](CC)[C@H](C)CNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416218487 428693008 /nfs/dbraw/zinc/69/30/08/428693008.db2.gz RKRGEFVTYYXMEU-WBVHZDCISA-N 1 3 305.466 2.526 20 0 DFADHO C[N@@H+]1CCC[C@H]2CN(CCN3CCCc4ccccc43)CC[C@H]21 ZINC000362471409 428758038 /nfs/dbraw/zinc/75/80/38/428758038.db2.gz RTFPNCSXUYPFJV-RBUKOAKNSA-N 1 3 313.489 2.855 20 0 DFADHO C[N@H+]1CCC[C@H]2CN(CCN3CCCc4ccccc43)CC[C@H]21 ZINC000362471409 428758041 /nfs/dbraw/zinc/75/80/41/428758041.db2.gz RTFPNCSXUYPFJV-RBUKOAKNSA-N 1 3 313.489 2.855 20 0 DFADHO CN1CCC[C@H]2C[N@H+](CCN3CCCc4ccccc43)CC[C@H]21 ZINC000362471409 428758046 /nfs/dbraw/zinc/75/80/46/428758046.db2.gz RTFPNCSXUYPFJV-RBUKOAKNSA-N 1 3 313.489 2.855 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](CCN3CCCc4ccccc43)CC[C@H]21 ZINC000362471409 428758050 /nfs/dbraw/zinc/75/80/50/428758050.db2.gz RTFPNCSXUYPFJV-RBUKOAKNSA-N 1 3 313.489 2.855 20 0 DFADHO CC(CCN1CCO[C@H](C)[C@@H]1C)CC[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000411322423 428780760 /nfs/dbraw/zinc/78/07/60/428780760.db2.gz INSWEJFGVGYVOK-WNRNVDISSA-N 1 3 312.498 2.621 20 0 DFADHO CC(CCN1CCO[C@H](C)[C@@H]1C)CC[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000411322423 428780764 /nfs/dbraw/zinc/78/07/64/428780764.db2.gz INSWEJFGVGYVOK-WNRNVDISSA-N 1 3 312.498 2.621 20 0 DFADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000353940074 428787136 /nfs/dbraw/zinc/78/71/36/428787136.db2.gz ACZQGEYHGIUIIN-HKUYNNGSSA-N 1 3 320.477 2.922 20 0 DFADHO Cc1nc(CO[C@@H]2CC[N@@H+](CC[C@@H]3CCCCN3C)C2)cs1 ZINC000374933075 428788501 /nfs/dbraw/zinc/78/85/01/428788501.db2.gz URBAJZCMBOESJF-DLBZAZTESA-N 1 3 323.506 2.917 20 0 DFADHO Cc1nc(CO[C@@H]2CC[N@H+](CC[C@@H]3CCCCN3C)C2)cs1 ZINC000374933075 428788504 /nfs/dbraw/zinc/78/85/04/428788504.db2.gz URBAJZCMBOESJF-DLBZAZTESA-N 1 3 323.506 2.917 20 0 DFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N(CC)CC ZINC000348418471 428741370 /nfs/dbraw/zinc/74/13/70/428741370.db2.gz VCUSTHGKPWPUAR-IAGOWNOFSA-N 1 3 309.498 2.584 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2sc(C)nc2C)C1 ZINC000354078468 428849886 /nfs/dbraw/zinc/84/98/86/428849886.db2.gz SBXVPZWNHCXCFV-HNNXBMFYSA-N 1 3 311.495 2.693 20 0 DFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000362646445 428797053 /nfs/dbraw/zinc/79/70/53/428797053.db2.gz KPBHFNOFZDZPFP-QZTJIDSGSA-N 1 3 323.525 2.591 20 0 DFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000362646445 428797057 /nfs/dbraw/zinc/79/70/57/428797057.db2.gz KPBHFNOFZDZPFP-QZTJIDSGSA-N 1 3 323.525 2.591 20 0 DFADHO CC[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000411452616 428799382 /nfs/dbraw/zinc/79/93/82/428799382.db2.gz HBGGOIFOUFEHKS-GOSISDBHSA-N 1 3 317.477 2.716 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000353978309 428801785 /nfs/dbraw/zinc/80/17/85/428801785.db2.gz KEDDITWQOUTXCZ-BQFCYCMXSA-N 1 3 320.477 2.950 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)N(C)C)CCN1Cc1ccccc1 ZINC000359113294 428822962 /nfs/dbraw/zinc/82/29/62/428822962.db2.gz IKIIHHXBDIHNCR-LSTHTHJFSA-N 1 3 315.505 2.969 20 0 DFADHO CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000359119214 428825600 /nfs/dbraw/zinc/82/56/00/428825600.db2.gz WWTWATKVUMOKRM-SJORKVTESA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)CC(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000359119214 428825608 /nfs/dbraw/zinc/82/56/08/428825608.db2.gz WWTWATKVUMOKRM-SJORKVTESA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)CC(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000359119214 428825610 /nfs/dbraw/zinc/82/56/10/428825610.db2.gz WWTWATKVUMOKRM-SJORKVTESA-N 1 3 321.509 2.630 20 0 DFADHO CCc1nc(CN(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cs1 ZINC000349059130 428909559 /nfs/dbraw/zinc/90/95/59/428909559.db2.gz BJQATLQZBOHZGG-MRXNPFEDSA-N 1 3 324.538 2.553 20 0 DFADHO CCc1nc(CN(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cs1 ZINC000349059130 428909564 /nfs/dbraw/zinc/90/95/64/428909564.db2.gz BJQATLQZBOHZGG-MRXNPFEDSA-N 1 3 324.538 2.553 20 0 DFADHO C[C@@H]1C[C@H]1c1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000349059418 428909826 /nfs/dbraw/zinc/90/98/26/428909826.db2.gz BMDHZSGKWGWSHM-CRAIPNDOSA-N 1 3 319.493 2.861 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2sccc2OC)C1 ZINC000354087416 428855429 /nfs/dbraw/zinc/85/54/29/428855429.db2.gz ADJGZJPGJQELKY-AWEZNQCLSA-N 1 3 312.479 2.689 20 0 DFADHO Clc1ccc(CN2CCN(CCC3CC[NH2+]CC3)CC2)cc1 ZINC000359198891 428862920 /nfs/dbraw/zinc/86/29/20/428862920.db2.gz DGTYRMQCJKNMHF-UHFFFAOYSA-N 1 3 321.896 2.847 20 0 DFADHO CCc1ncc(CN(CC[NH+](C)C)C[C@H]2CCCN2CC)s1 ZINC000349037866 428905652 /nfs/dbraw/zinc/90/56/52/428905652.db2.gz TZNIGJXWAXZOFI-OAHLLOKOSA-N 1 3 324.538 2.553 20 0 DFADHO CCc1ncc(CN(CC[NH+](C)C)C[C@@H]2CCCN2CC)s1 ZINC000349037864 428905942 /nfs/dbraw/zinc/90/59/42/428905942.db2.gz TZNIGJXWAXZOFI-HNNXBMFYSA-N 1 3 324.538 2.553 20 0 DFADHO CC(C)[C@H](CNC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000354206481 428913828 /nfs/dbraw/zinc/91/38/28/428913828.db2.gz CPWGUWALBXGQNF-MOPGFXCFSA-N 1 3 304.478 2.863 20 0 DFADHO CCCN1CC[C@@H](C[NH2+]C2CCC(C)(C(=O)OCC)CC2)C1 ZINC000354209542 428916349 /nfs/dbraw/zinc/91/63/49/428916349.db2.gz IYBCFJPIPIWBAB-HJOIGYKYSA-N 1 3 310.482 2.820 20 0 DFADHO COC(=O)c1cc([C@H](C)N2CCC(C[NH+](C)C)CC2)oc1C ZINC000432927046 428971295 /nfs/dbraw/zinc/97/12/95/428971295.db2.gz JRSDPUTXKNDUOE-LBPRGKRZSA-N 1 3 308.422 2.709 20 0 DFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000359332256 428924871 /nfs/dbraw/zinc/92/48/71/428924871.db2.gz REDHRYVQIQTCDT-SJLPKXTDSA-N 1 3 321.509 2.774 20 0 DFADHO Cc1noc(C)c1CN(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000363482362 428926697 /nfs/dbraw/zinc/92/66/97/428926697.db2.gz ZDLULJKWFKPDLD-UHFFFAOYSA-N 1 3 300.406 2.787 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000354226706 428930018 /nfs/dbraw/zinc/93/00/18/428930018.db2.gz XMZSOFFQTOSARS-KBXCAEBGSA-N 1 3 303.450 2.950 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000354226706 428930023 /nfs/dbraw/zinc/93/00/23/428930023.db2.gz XMZSOFFQTOSARS-KBXCAEBGSA-N 1 3 303.450 2.950 20 0 DFADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc([S@@](C)=O)cc3)C2)CC1 ZINC000349178783 428933664 /nfs/dbraw/zinc/93/36/64/428933664.db2.gz BNWPZPDBLMWPMI-HTAPYJJXSA-N 1 3 320.502 2.588 20 0 DFADHO CCN(C)c1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000349191187 428936333 /nfs/dbraw/zinc/93/63/33/428936333.db2.gz NWLUZLBYBXUICV-GOSISDBHSA-N 1 3 316.493 2.701 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)[C@@H]2CCC[C@@H]21 ZINC000375788562 428971852 /nfs/dbraw/zinc/97/18/52/428971852.db2.gz JAYQVJDCYSWUNS-IHRRRGAJSA-N 1 3 311.376 2.645 20 0 DFADHO Cc1cc([C@@H]([NH2+]C[C@@H](O)CN2CCCC2)C2CC2)ccc1F ZINC000359376085 428945526 /nfs/dbraw/zinc/94/55/26/428945526.db2.gz UCJNQIDNTGTPIT-AEFFLSMTSA-N 1 3 306.425 2.632 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+]CCCNC2CC2)cc1OC ZINC000423543403 428968544 /nfs/dbraw/zinc/96/85/44/428968544.db2.gz BSYJZICXAVJPRV-AWEZNQCLSA-N 1 3 306.450 2.675 20 0 DFADHO COc1cc(C)c(C[C@H](C)NCCC[NH2+]C2CC2)cc1OC ZINC000423543403 428968550 /nfs/dbraw/zinc/96/85/50/428968550.db2.gz BSYJZICXAVJPRV-AWEZNQCLSA-N 1 3 306.450 2.675 20 0 DFADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCCc3n[nH]cc32)c1 ZINC000375788461 428970101 /nfs/dbraw/zinc/97/01/01/428970101.db2.gz ITAJRKWCVVDNKQ-QGZVFWFLSA-N 1 3 314.433 2.517 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)[C@H]2CCC[C@H]21 ZINC000375788550 428970845 /nfs/dbraw/zinc/97/08/45/428970845.db2.gz JAYQVJDCYSWUNS-HZSPNIEDSA-N 1 3 311.376 2.645 20 0 DFADHO c1ccc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccncn2)cc1 ZINC000423555609 428970939 /nfs/dbraw/zinc/97/09/39/428970939.db2.gz YDIDKHCMOWLYNC-NTDBWNAOSA-N 1 3 308.429 2.544 20 0 DFADHO CN(C)C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423783072 429018068 /nfs/dbraw/zinc/01/80/68/429018068.db2.gz ZTKYVXDTQLWYQP-IMJJTQAJSA-N 1 3 323.868 2.576 20 0 DFADHO CN(C)Cc1ccccc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000433301918 429020143 /nfs/dbraw/zinc/02/01/43/429020143.db2.gz HDRDDFBNOPSHNV-UHFFFAOYSA-N 1 3 317.477 2.741 20 0 DFADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000433492937 429034760 /nfs/dbraw/zinc/03/47/60/429034760.db2.gz HHKHKJAKARNSBQ-MJGOQNOKSA-N 1 3 317.477 2.533 20 0 DFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000433359688 429028646 /nfs/dbraw/zinc/02/86/46/429028646.db2.gz CWFAXQRUFSYDMT-CGTJXYLNSA-N 1 3 321.509 2.773 20 0 DFADHO CN(C)[C@@H](CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000433360436 429028663 /nfs/dbraw/zinc/02/86/63/429028663.db2.gz FZHWRKWGMDLPJN-KURKYZTESA-N 1 3 317.477 2.668 20 0 DFADHO C[N@H+](C[C@@H]1CCC(C)(C)O1)C1CCN(C2CCOCC2)CC1 ZINC000375969872 429029395 /nfs/dbraw/zinc/02/93/95/429029395.db2.gz SNEFQRUYAFYQEM-KRWDZBQOSA-N 1 3 310.482 2.519 20 0 DFADHO C[N@@H+](C[C@@H]1CCC(C)(C)O1)C1CCN(C2CCOCC2)CC1 ZINC000375969872 429029400 /nfs/dbraw/zinc/02/94/00/429029400.db2.gz SNEFQRUYAFYQEM-KRWDZBQOSA-N 1 3 310.482 2.519 20 0 DFADHO C[C@H](NC(=O)C(C)(C)[C@H](N)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000423446574 429089421 /nfs/dbraw/zinc/08/94/21/429089421.db2.gz SQMPREFWZIIZNO-GOEBONIOSA-N 1 3 319.493 2.805 20 0 DFADHO C[C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](C)O1 ZINC000423463354 429093050 /nfs/dbraw/zinc/09/30/50/429093050.db2.gz FTIQRCQLSYSUOC-CWAQJACASA-N 1 3 306.425 2.674 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@@H](C)O1 ZINC000423463354 429093053 /nfs/dbraw/zinc/09/30/53/429093053.db2.gz FTIQRCQLSYSUOC-CWAQJACASA-N 1 3 306.425 2.674 20 0 DFADHO COC[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C(C)C ZINC000423474328 429095332 /nfs/dbraw/zinc/09/53/32/429095332.db2.gz ONZQVGJXMWLGLU-JQHSSLGASA-N 1 3 308.441 2.779 20 0 DFADHO COC[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C(C)C ZINC000423474328 429095334 /nfs/dbraw/zinc/09/53/34/429095334.db2.gz ONZQVGJXMWLGLU-JQHSSLGASA-N 1 3 308.441 2.779 20 0 DFADHO Cn1cc([C@@H](NCCC[C@H]2CCC[NH2+]2)c2cccc(F)c2)cn1 ZINC000423488368 429095722 /nfs/dbraw/zinc/09/57/22/429095722.db2.gz VKTXSQDJDLFUQU-MSOLQXFVSA-N 1 3 316.424 2.770 20 0 DFADHO CCC[C@@](C)(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000376022092 429042222 /nfs/dbraw/zinc/04/22/22/429042222.db2.gz RFVLEVIEUQGPLR-LJQANCHMSA-N 1 3 323.525 2.878 20 0 DFADHO COC(=O)Nc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000376063158 429051729 /nfs/dbraw/zinc/05/17/29/429051729.db2.gz XZLJNIBBYZUUKM-BRWVUGGUSA-N 1 3 317.433 2.827 20 0 DFADHO COC(=O)Nc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000376063158 429051734 /nfs/dbraw/zinc/05/17/34/429051734.db2.gz XZLJNIBBYZUUKM-BRWVUGGUSA-N 1 3 317.433 2.827 20 0 DFADHO COC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000376063158 429051738 /nfs/dbraw/zinc/05/17/38/429051738.db2.gz XZLJNIBBYZUUKM-BRWVUGGUSA-N 1 3 317.433 2.827 20 0 DFADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423283334 429055540 /nfs/dbraw/zinc/05/55/40/429055540.db2.gz XATNFWNPTLTRIG-RHSMWYFYSA-N 1 3 316.449 2.633 20 0 DFADHO CCC(N)(CC)C[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423288611 429058318 /nfs/dbraw/zinc/05/83/18/429058318.db2.gz TYKSAVYLFSMVAE-WMZOPIPTSA-N 1 3 319.493 2.556 20 0 DFADHO CCC(N)(CC)C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423286909 429058501 /nfs/dbraw/zinc/05/85/01/429058501.db2.gz JJOLEGFXAMVHMB-KRWDZBQOSA-N 1 3 315.465 2.825 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H](C)[NH3+] ZINC000423299929 429060240 /nfs/dbraw/zinc/06/02/40/429060240.db2.gz CSVMGQOEMALCIP-LZWOXQAQSA-N 1 3 323.506 2.621 20 0 DFADHO N[C@H](C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)C1CC1 ZINC000423311567 429062147 /nfs/dbraw/zinc/06/21/47/429062147.db2.gz BZWNQOWQVQAVNQ-KGLIPLIRSA-N 1 3 300.324 2.899 20 0 DFADHO N[C@@H](C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)C1CC1 ZINC000423311568 429062898 /nfs/dbraw/zinc/06/28/98/429062898.db2.gz BZWNQOWQVQAVNQ-UONOGXRCSA-N 1 3 300.324 2.899 20 0 DFADHO [NH3+][C@H](CN[C@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000423319074 429063038 /nfs/dbraw/zinc/06/30/38/429063038.db2.gz LNVWTKZOXSQBAL-LSDHHAIUSA-N 1 3 309.251 2.633 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423325107 429065609 /nfs/dbraw/zinc/06/56/09/429065609.db2.gz QBZAGFLEDZEICC-CXAGYDPISA-N 1 3 318.465 2.948 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1ccsc1 ZINC000423332787 429066852 /nfs/dbraw/zinc/06/68/52/429066852.db2.gz RDGZLDIUMTYBOK-FVQBIDKESA-N 1 3 323.506 2.635 20 0 DFADHO COc1cc(C)c(C[C@@H](C)[NH2+]C[C@]2(C)CCCNC2)cc1OC ZINC000423351918 429070363 /nfs/dbraw/zinc/07/03/63/429070363.db2.gz ZVAWSDZHUMTSGQ-DNVCBOLYSA-N 1 3 320.477 2.923 20 0 DFADHO COc1cc(C)c(C[C@@H](C)NC[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000423351918 429070365 /nfs/dbraw/zinc/07/03/65/429070365.db2.gz ZVAWSDZHUMTSGQ-DNVCBOLYSA-N 1 3 320.477 2.923 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)N[C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000423359466 429071281 /nfs/dbraw/zinc/07/12/81/429071281.db2.gz KOJHAUTUDNXDAI-FQLMCAECSA-N 1 3 306.450 2.783 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+]C[C@@]2(C)CCCNC2)cc1OC ZINC000423351920 429072246 /nfs/dbraw/zinc/07/22/46/429072246.db2.gz ZVAWSDZHUMTSGQ-KXBFYZLASA-N 1 3 320.477 2.923 20 0 DFADHO COc1cc(C)c(C[C@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000423351920 429072249 /nfs/dbraw/zinc/07/22/49/429072249.db2.gz ZVAWSDZHUMTSGQ-KXBFYZLASA-N 1 3 320.477 2.923 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)cc1OC ZINC000423367957 429073646 /nfs/dbraw/zinc/07/36/46/429073646.db2.gz AWMRPFBOTDVXQO-OFQRWUPVSA-N 1 3 306.450 2.673 20 0 DFADHO COc1cc(C)c(C[C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000423367957 429073651 /nfs/dbraw/zinc/07/36/51/429073651.db2.gz AWMRPFBOTDVXQO-OFQRWUPVSA-N 1 3 306.450 2.673 20 0 DFADHO C[C@H]1[NH2+]CCC[C@@H]1NC1CCN(c2ccc(F)cc2F)CC1 ZINC000423365534 429074042 /nfs/dbraw/zinc/07/40/42/429074042.db2.gz BVVXVLSFHMFTFQ-WBMJQRKESA-N 1 3 309.404 2.664 20 0 DFADHO c1cc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc2c1CNC2 ZINC000423368971 429075219 /nfs/dbraw/zinc/07/52/19/429075219.db2.gz DPCKFTGVGOUUPG-KVSKMBFKSA-N 1 3 300.446 2.975 20 0 DFADHO Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CNC3)C1 ZINC000423391751 429078458 /nfs/dbraw/zinc/07/84/58/429078458.db2.gz PREYUVOETXHLLG-YJBOKZPZSA-N 1 3 310.445 2.839 20 0 DFADHO COC[C@]1(C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CCCN1 ZINC000423413261 429083356 /nfs/dbraw/zinc/08/33/56/429083356.db2.gz JZNMECJBENNRAN-ZHALLVOQSA-N 1 3 302.462 2.927 20 0 DFADHO COC[C@@]1(CNC2CCC(OC3CCCC3)CC2)CCC[NH2+]1 ZINC000423409480 429083412 /nfs/dbraw/zinc/08/34/12/429083412.db2.gz BRVWADVSXTXYLF-VJFUWPCTSA-N 1 3 310.482 2.615 20 0 DFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000434448993 429088763 /nfs/dbraw/zinc/08/87/63/429088763.db2.gz UKDBQSMVCRBRLI-ROUUACIJSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000434448993 429088769 /nfs/dbraw/zinc/08/87/69/429088769.db2.gz UKDBQSMVCRBRLI-ROUUACIJSA-N 1 3 319.493 2.527 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000424079852 429088885 /nfs/dbraw/zinc/08/88/85/429088885.db2.gz STFGDCJIUZYHDV-KRWDZBQOSA-N 1 3 317.477 2.805 20 0 DFADHO CCN(CCCOc1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435618925 429152490 /nfs/dbraw/zinc/15/24/90/429152490.db2.gz RVNPXSHIBFKOPK-OAHLLOKOSA-N 1 3 320.433 2.648 20 0 DFADHO CC[N@H+](CCCOc1ccc2c(c1)OCO2)[C@@H]1CCCNCC1 ZINC000435618925 429152493 /nfs/dbraw/zinc/15/24/93/429152493.db2.gz RVNPXSHIBFKOPK-OAHLLOKOSA-N 1 3 320.433 2.648 20 0 DFADHO CC[N@@H+](CCCOc1ccc2c(c1)OCO2)[C@@H]1CCCNCC1 ZINC000435618925 429152495 /nfs/dbraw/zinc/15/24/95/429152495.db2.gz RVNPXSHIBFKOPK-OAHLLOKOSA-N 1 3 320.433 2.648 20 0 DFADHO C[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)c1ncc(Br)cc1F ZINC000423494076 429099690 /nfs/dbraw/zinc/09/96/90/429099690.db2.gz CTGCRQVJNMVZIJ-ATZCPNFKSA-N 1 3 316.218 2.761 20 0 DFADHO CN(CCN(C)C1CC1)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424164439 429102468 /nfs/dbraw/zinc/10/24/68/429102468.db2.gz CIBXWYGHFXBMRU-MRXNPFEDSA-N 1 3 309.498 2.617 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)C1 ZINC000423506511 429102846 /nfs/dbraw/zinc/10/28/46/429102846.db2.gz HWMWKTUQTWYHHA-YDZRNGNQSA-N 1 3 324.472 2.792 20 0 DFADHO CCc1ccccc1[C@H](N)CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423508862 429103532 /nfs/dbraw/zinc/10/35/32/429103532.db2.gz QZJIAEYKSYORBB-MANSERQUSA-N 1 3 301.478 2.711 20 0 DFADHO CCc1ccccc1[C@H](N)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423508862 429103536 /nfs/dbraw/zinc/10/35/36/429103536.db2.gz QZJIAEYKSYORBB-MANSERQUSA-N 1 3 301.478 2.711 20 0 DFADHO CC[C@@H](c1ccc2c(c1)OCCO2)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423515450 429106610 /nfs/dbraw/zinc/10/66/10/429106610.db2.gz VMXCJOLOEZCGJD-QIIPPGSGSA-N 1 3 304.434 2.826 20 0 DFADHO CC[C@@H](c1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423515450 429106612 /nfs/dbraw/zinc/10/66/12/429106612.db2.gz VMXCJOLOEZCGJD-QIIPPGSGSA-N 1 3 304.434 2.826 20 0 DFADHO CC[C@@H](c1ccc2c(c1)OCCO2)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423515450 429106616 /nfs/dbraw/zinc/10/66/16/429106616.db2.gz VMXCJOLOEZCGJD-QIIPPGSGSA-N 1 3 304.434 2.826 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000434690258 429106777 /nfs/dbraw/zinc/10/67/77/429106777.db2.gz FSIZUVNZURPDCC-KRWDZBQOSA-N 1 3 316.493 2.883 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000434690258 429106781 /nfs/dbraw/zinc/10/67/81/429106781.db2.gz FSIZUVNZURPDCC-KRWDZBQOSA-N 1 3 316.493 2.883 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434690258 429106784 /nfs/dbraw/zinc/10/67/84/429106784.db2.gz FSIZUVNZURPDCC-KRWDZBQOSA-N 1 3 316.493 2.883 20 0 DFADHO Cc1ccccc1[C@H](NC[C@@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000423524168 429108149 /nfs/dbraw/zinc/10/81/49/429108149.db2.gz SPMGSZICIALQPT-PKOBYXMFSA-N 1 3 301.478 2.720 20 0 DFADHO CC(C)(C)OC(=O)C(C)(C)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424195002 429108612 /nfs/dbraw/zinc/10/86/12/429108612.db2.gz YJZZSEMGSUOIJK-LSDHHAIUSA-N 1 3 310.482 2.961 20 0 DFADHO CC(C)(C)OC(=O)C(C)(C)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424195002 429108614 /nfs/dbraw/zinc/10/86/14/429108614.db2.gz YJZZSEMGSUOIJK-LSDHHAIUSA-N 1 3 310.482 2.961 20 0 DFADHO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C12CCC2 ZINC000423530667 429110081 /nfs/dbraw/zinc/11/00/81/429110081.db2.gz RQPBSRWONAMDJV-RNKSQCJXSA-N 1 3 318.505 2.933 20 0 DFADHO CO[C@@H]1[C@@H](C)[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C12CCC2 ZINC000423530667 429110085 /nfs/dbraw/zinc/11/00/85/429110085.db2.gz RQPBSRWONAMDJV-RNKSQCJXSA-N 1 3 318.505 2.933 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1(C)C ZINC000423531594 429110092 /nfs/dbraw/zinc/11/00/92/429110092.db2.gz SXAXCJLZKKJJQS-YHVXMNOBSA-N 1 3 306.494 2.933 20 0 DFADHO CCO[C@@H]1C[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000423531594 429110095 /nfs/dbraw/zinc/11/00/95/429110095.db2.gz SXAXCJLZKKJJQS-YHVXMNOBSA-N 1 3 306.494 2.933 20 0 DFADHO C[C@@H]1CC2(CN1CC(=O)NCCC1CCCCC1)CC[NH2+]CC2 ZINC000424284121 429119569 /nfs/dbraw/zinc/11/95/69/429119569.db2.gz CONCCYLTNHRGEW-MRXNPFEDSA-N 1 3 321.509 2.537 20 0 DFADHO CC(C)CCC[C@@H](C)NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297391 429120977 /nfs/dbraw/zinc/12/09/77/429120977.db2.gz SNIJMYNOXHGBIQ-SJORKVTESA-N 1 3 323.525 2.781 20 0 DFADHO COC(=O)c1ccc(F)c(CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424299010 429122712 /nfs/dbraw/zinc/12/27/12/429122712.db2.gz VIULVYMTLCNSDM-CYBMUJFWSA-N 1 3 320.408 2.576 20 0 DFADHO Cc1cccc(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1C ZINC000424302505 429123345 /nfs/dbraw/zinc/12/33/45/429123345.db2.gz ZRNROZUIYVGNIE-HNNXBMFYSA-N 1 3 315.461 2.706 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2N)CCN1Cc1ccccc1 ZINC000424367990 429131585 /nfs/dbraw/zinc/13/15/85/429131585.db2.gz OINSZJKNADNPGO-QXCFHYIPSA-N 1 3 301.478 2.899 20 0 DFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)[C@@H]3C)cc2)CC1 ZINC000494890036 429161497 /nfs/dbraw/zinc/16/14/97/429161497.db2.gz LWPLMJIOOLQLAZ-FUHIMQAGSA-N 1 3 315.505 2.958 20 0 DFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3C[C@H](C)[C@@H]3C)cc2)CC1 ZINC000494890035 429161747 /nfs/dbraw/zinc/16/17/47/429161747.db2.gz LWPLMJIOOLQLAZ-ABSDTBQOSA-N 1 3 315.505 2.958 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2C2CCCCC2)CN1C1CC1 ZINC000435749090 429163096 /nfs/dbraw/zinc/16/30/96/429163096.db2.gz RDDLEQULLCYBKM-GPMSIDNRSA-N 1 3 305.510 2.998 20 0 DFADHO C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)CN1C1CC1 ZINC000435749090 429163100 /nfs/dbraw/zinc/16/31/00/429163100.db2.gz RDDLEQULLCYBKM-GPMSIDNRSA-N 1 3 305.510 2.998 20 0 DFADHO C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+]2C2CCCCC2)CN1C1CC1 ZINC000435749090 429163103 /nfs/dbraw/zinc/16/31/03/429163103.db2.gz RDDLEQULLCYBKM-GPMSIDNRSA-N 1 3 305.510 2.998 20 0 DFADHO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000272612504 275052926 /nfs/dbraw/zinc/05/29/26/275052926.db2.gz WOBKMHWOVIVDIS-MFKWGIFDSA-N 1 3 314.473 2.790 20 0 DFADHO C(=C/c1ccncc1)\C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000487532824 429159621 /nfs/dbraw/zinc/15/96/21/429159621.db2.gz DESCFTYSQRIITG-OWOJBTEDSA-N 1 3 308.429 2.996 20 0 DFADHO CC[NH+](CC)CCCN1CC[C@H](CNc2cc(C)ccn2)C1 ZINC000364357268 429189322 /nfs/dbraw/zinc/18/93/22/429189322.db2.gz UYGHLCNWLJKJIV-QGZVFWFLSA-N 1 3 304.482 2.856 20 0 DFADHO C(N1CCC[C@H]1C1CC1)C1(C[N@@H+]2CCC[C@@H]2C2CC2)COC1 ZINC000367794166 275394259 /nfs/dbraw/zinc/39/42/59/275394259.db2.gz KYPPRJKTQGFDON-HDICACEKSA-N 1 3 304.478 2.752 20 0 DFADHO C(N1CCC[C@H]1C1CC1)C1(C[N@H+]2CCC[C@@H]2C2CC2)COC1 ZINC000367794166 275394261 /nfs/dbraw/zinc/39/42/61/275394261.db2.gz KYPPRJKTQGFDON-HDICACEKSA-N 1 3 304.478 2.752 20 0 DFADHO C(N1CCC[C@@H]1C1CC1)C1(C[N@@H+]2CCC[C@H]2C2CC2)COC1 ZINC000367794166 275394263 /nfs/dbraw/zinc/39/42/63/275394263.db2.gz KYPPRJKTQGFDON-HDICACEKSA-N 1 3 304.478 2.752 20 0 DFADHO C(N1CCC[C@@H]1C1CC1)C1(C[N@H+]2CCC[C@H]2C2CC2)COC1 ZINC000367794166 275394265 /nfs/dbraw/zinc/39/42/65/275394265.db2.gz KYPPRJKTQGFDON-HDICACEKSA-N 1 3 304.478 2.752 20 0 DFADHO C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC(N(C)CCO)CC1 ZINC000445278074 429284626 /nfs/dbraw/zinc/28/46/26/429284626.db2.gz XMIAPSFVXAAXJK-OAHLLOKOSA-N 1 3 302.462 2.625 20 0 DFADHO [NH3+]CC[C@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000442930095 429240956 /nfs/dbraw/zinc/24/09/56/429240956.db2.gz SPDOHWKPFGVSCF-CQSZACIVSA-N 1 3 302.397 2.572 20 0 DFADHO [NH3+]CC[C@@H]1CCCN(Cc2c(F)cccc2N2CCCC2)C1 ZINC000442925376 429241636 /nfs/dbraw/zinc/24/16/36/429241636.db2.gz VERTWVJEMHJDPB-HNNXBMFYSA-N 1 3 305.441 2.987 20 0 DFADHO CC1CC[NH+](CCN(C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000489951435 429269593 /nfs/dbraw/zinc/26/95/93/429269593.db2.gz DTRLXPHPNRSNCV-FQEVSTJZSA-N 1 3 315.505 2.925 20 0 DFADHO CCN(C)CC[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449105433 429333750 /nfs/dbraw/zinc/33/37/50/429333750.db2.gz DLOBOUPGKAVDIQ-QGZVFWFLSA-N 1 3 303.494 2.623 20 0 DFADHO Cc1cnn(CCCCCN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365535755 429337520 /nfs/dbraw/zinc/33/75/20/429337520.db2.gz IFCQRCPFSWOYTA-QYZOEREBSA-N 1 3 316.493 2.778 20 0 DFADHO Cc1cnn(CCCCCN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365535755 429337523 /nfs/dbraw/zinc/33/75/23/429337523.db2.gz IFCQRCPFSWOYTA-QYZOEREBSA-N 1 3 316.493 2.778 20 0 DFADHO CO[C@H](CN1CCC[C@H]([N@H+](C)C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425793 429293920 /nfs/dbraw/zinc/29/39/20/429293920.db2.gz UWFRSDZTODFGGS-IPMKNSEASA-N 1 3 324.509 2.623 20 0 DFADHO CO[C@H](CN1CCC[C@H]([N@@H+](C)C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425793 429293925 /nfs/dbraw/zinc/29/39/25/429293925.db2.gz UWFRSDZTODFGGS-IPMKNSEASA-N 1 3 324.509 2.623 20 0 DFADHO CO[C@H](CN(C)[C@H]1CCC[N@H+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425793 429293930 /nfs/dbraw/zinc/29/39/30/429293930.db2.gz UWFRSDZTODFGGS-IPMKNSEASA-N 1 3 324.509 2.623 20 0 DFADHO CO[C@H](CN(C)[C@H]1CCC[N@@H+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425793 429293933 /nfs/dbraw/zinc/29/39/33/429293933.db2.gz UWFRSDZTODFGGS-IPMKNSEASA-N 1 3 324.509 2.623 20 0 DFADHO C(N1CC[C@@H]2CCC[C@H]21)C1(C[N@@H+]2CC[C@H]3CCC[C@@H]32)COC1 ZINC000426457189 429392646 /nfs/dbraw/zinc/39/26/46/429392646.db2.gz XRLJZTPEUWROFE-FZDBZEDMSA-N 1 3 304.478 2.752 20 0 DFADHO C(N1CC[C@@H]2CCC[C@H]21)C1(C[N@H+]2CC[C@H]3CCC[C@@H]32)COC1 ZINC000426457189 429392651 /nfs/dbraw/zinc/39/26/51/429392651.db2.gz XRLJZTPEUWROFE-FZDBZEDMSA-N 1 3 304.478 2.752 20 0 DFADHO C(N1CC[C@H]2CCC[C@@H]21)C1(C[N@@H+]2CC[C@@H]3CCC[C@H]32)COC1 ZINC000426457189 429392652 /nfs/dbraw/zinc/39/26/52/429392652.db2.gz XRLJZTPEUWROFE-FZDBZEDMSA-N 1 3 304.478 2.752 20 0 DFADHO C(N1CC[C@H]2CCC[C@@H]21)C1(C[N@H+]2CC[C@@H]3CCC[C@H]32)COC1 ZINC000426457189 429392656 /nfs/dbraw/zinc/39/26/56/429392656.db2.gz XRLJZTPEUWROFE-FZDBZEDMSA-N 1 3 304.478 2.752 20 0 DFADHO CC(C)N1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000457118312 429408189 /nfs/dbraw/zinc/40/81/89/429408189.db2.gz MPNWKDUJNCCITD-AEFFLSMTSA-N 1 3 321.509 2.582 20 0 DFADHO CC(C)N1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000457118312 429408191 /nfs/dbraw/zinc/40/81/91/429408191.db2.gz MPNWKDUJNCCITD-AEFFLSMTSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@@H](C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)CN(C)C ZINC000491588414 429377423 /nfs/dbraw/zinc/37/74/23/429377423.db2.gz IFZDQABVXPVELI-LBPRGKRZSA-N 1 3 304.356 2.915 20 0 DFADHO CC(C)c1nnc(CCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000426290604 429380427 /nfs/dbraw/zinc/38/04/27/429380427.db2.gz PSDCDAOKWFWRCN-BFHYXJOUSA-N 1 3 308.495 2.666 20 0 DFADHO CC(C)c1nnc(CCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000426290604 429380430 /nfs/dbraw/zinc/38/04/30/429380430.db2.gz PSDCDAOKWFWRCN-BFHYXJOUSA-N 1 3 308.495 2.666 20 0 DFADHO CSCC1CCC([NH2+]CCN2CCN(C)C(C)(C)C2)CC1 ZINC000449300113 429382470 /nfs/dbraw/zinc/38/24/70/429382470.db2.gz CRWXTRSLRAOYEU-UHFFFAOYSA-N 1 3 313.555 2.524 20 0 DFADHO CN(C)Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000365841516 429383489 /nfs/dbraw/zinc/38/34/89/429383489.db2.gz PKDMLCBWRNWEIT-WBVHZDCISA-N 1 3 301.434 2.561 20 0 DFADHO CN(C)Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)cc1 ZINC000365841516 429383494 /nfs/dbraw/zinc/38/34/94/429383494.db2.gz PKDMLCBWRNWEIT-WBVHZDCISA-N 1 3 301.434 2.561 20 0 DFADHO Cc1cccc(CCN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000449326338 429387726 /nfs/dbraw/zinc/38/77/26/429387726.db2.gz UUSSZQAHURVTRK-GOSISDBHSA-N 1 3 315.505 2.638 20 0 DFADHO Cc1cccc(CCN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000449326338 429387730 /nfs/dbraw/zinc/38/77/30/429387730.db2.gz UUSSZQAHURVTRK-GOSISDBHSA-N 1 3 315.505 2.638 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366532989 429470727 /nfs/dbraw/zinc/47/07/27/429470727.db2.gz GPIKUZMOPLYXLO-IBGZPJMESA-N 1 3 310.445 2.708 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000366328261 429447137 /nfs/dbraw/zinc/44/71/37/429447137.db2.gz ULTHHEQIRMGRAS-ZWKOTPCHSA-N 1 3 323.525 2.831 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366532989 429470732 /nfs/dbraw/zinc/47/07/32/429470732.db2.gz GPIKUZMOPLYXLO-IBGZPJMESA-N 1 3 310.445 2.708 20 0 DFADHO CC[C@@H](NC1CC([NH+]2CCCCC2)C1)C1(C(=O)OC)CCC1 ZINC000366431021 429451156 /nfs/dbraw/zinc/45/11/56/429451156.db2.gz JQWREPVUMIMOTO-UYSNPLJNSA-N 1 3 308.466 2.715 20 0 DFADHO C[C@H](Cc1cnn(C)c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449582678 429456747 /nfs/dbraw/zinc/45/67/47/429456747.db2.gz GXHXVZUUOJSAOU-FCEWJHQRSA-N 1 3 318.509 2.984 20 0 DFADHO C[C@H](Cc1cnn(C)c1)[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000449582678 429456754 /nfs/dbraw/zinc/45/67/54/429456754.db2.gz GXHXVZUUOJSAOU-FCEWJHQRSA-N 1 3 318.509 2.984 20 0 DFADHO CCOCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426809564 429416850 /nfs/dbraw/zinc/41/68/50/429416850.db2.gz FGCDVHIOLXMTRY-CALCHBBNSA-N 1 3 312.498 2.624 20 0 DFADHO CO[C@@H]1COCC[C@@H]1C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449462488 429425358 /nfs/dbraw/zinc/42/53/58/429425358.db2.gz VHTUOSKRJPMMFP-ZAWLATJESA-N 1 3 324.509 2.671 20 0 DFADHO CCCCN1CCCC[C@H]1CNC(=O)[C@@H](CCC)[NH2+]C(C)C ZINC000491900257 429430867 /nfs/dbraw/zinc/43/08/67/429430867.db2.gz DMXMVYZOZCWSOK-DLBZAZTESA-N 1 3 311.514 2.924 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000520838226 429530439 /nfs/dbraw/zinc/53/04/39/429530439.db2.gz UKAXJUPJAPQURV-ZBFHGGJFSA-N 1 3 323.506 2.637 20 0 DFADHO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000449740861 429493175 /nfs/dbraw/zinc/49/31/75/429493175.db2.gz RKDZAJIEBFIQOG-NXEWRWPSSA-N 1 3 314.473 2.933 20 0 DFADHO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000449740861 429493177 /nfs/dbraw/zinc/49/31/77/429493177.db2.gz RKDZAJIEBFIQOG-NXEWRWPSSA-N 1 3 314.473 2.933 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCOc2ccccc2C(F)(F)F)C1 ZINC000519833200 429493928 /nfs/dbraw/zinc/49/39/28/429493928.db2.gz BPPHHLUWBKDQPK-NEPJUHHUSA-N 1 3 302.340 2.944 20 0 DFADHO COc1cc(F)cc(C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000449783047 429509727 /nfs/dbraw/zinc/50/97/27/429509727.db2.gz MVZCPRYGSWYFGY-XKQJLSEDSA-N 1 3 306.425 2.982 20 0 DFADHO COc1cc(F)cc(C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000449783047 429509732 /nfs/dbraw/zinc/50/97/32/429509732.db2.gz MVZCPRYGSWYFGY-XKQJLSEDSA-N 1 3 306.425 2.982 20 0 DFADHO CN1CCC[C@H](C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000521414164 429550868 /nfs/dbraw/zinc/55/08/68/429550868.db2.gz YTJZGJUWBVGUFP-NEWSRXKRSA-N 1 3 301.478 2.753 20 0 DFADHO CCC[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)N(C)C ZINC000367052058 429565058 /nfs/dbraw/zinc/56/50/58/429565058.db2.gz HMFUUCHJPZBINA-FMKPAKJESA-N 1 3 323.506 2.587 20 0 DFADHO CCC[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)N(C)C ZINC000367052058 429565062 /nfs/dbraw/zinc/56/50/62/429565062.db2.gz HMFUUCHJPZBINA-FMKPAKJESA-N 1 3 323.506 2.587 20 0 DFADHO Cc1nccn1CCCCN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429024190 429573780 /nfs/dbraw/zinc/57/37/80/429573780.db2.gz WSTYBVQHHNFATJ-XYJFISCASA-N 1 3 304.482 2.634 20 0 DFADHO Cc1nccn1CCCCN1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429024190 429573783 /nfs/dbraw/zinc/57/37/83/429573783.db2.gz WSTYBVQHHNFATJ-XYJFISCASA-N 1 3 304.482 2.634 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000450427807 429623343 /nfs/dbraw/zinc/62/33/43/429623343.db2.gz GJBREPLAHYBAQG-ZHALLVOQSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000450427807 429623346 /nfs/dbraw/zinc/62/33/46/429623346.db2.gz GJBREPLAHYBAQG-ZHALLVOQSA-N 1 3 302.462 2.569 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450340142 429605042 /nfs/dbraw/zinc/60/50/42/429605042.db2.gz UPOBZVYIJRXJLB-APWZRJJASA-N 1 3 304.478 2.956 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450373329 429612357 /nfs/dbraw/zinc/61/23/57/429612357.db2.gz TXIQXSJZDGWWCK-ZIAGYGMSSA-N 1 3 304.425 2.589 20 0 DFADHO CC(C)N1CCN(C2CC[NH+](CC3=CCCCC3)CC2)CC1 ZINC000450636005 429667224 /nfs/dbraw/zinc/66/72/24/429667224.db2.gz LMYIQCPTOQNWLI-UHFFFAOYSA-N 1 3 305.510 2.977 20 0 DFADHO CN(CCN1CCC2(CCC[N@@H+]2C)CC1)Cc1ccccc1 ZINC000450642461 429667871 /nfs/dbraw/zinc/66/78/71/429667871.db2.gz IEONBFNTMKPRTN-UHFFFAOYSA-N 1 3 301.478 2.679 20 0 DFADHO CN(CCN1CCC2(CCC[N@H+]2C)CC1)Cc1ccccc1 ZINC000450642461 429667876 /nfs/dbraw/zinc/66/78/76/429667876.db2.gz IEONBFNTMKPRTN-UHFFFAOYSA-N 1 3 301.478 2.679 20 0 DFADHO CC(C)c1ccc([C@@H](N)CNC(=O)C2([NH3+])CCCCC2)cc1 ZINC000262464113 276056240 /nfs/dbraw/zinc/05/62/40/276056240.db2.gz WXFMZDOCHQZHOL-INIZCTEOSA-N 1 3 303.450 2.588 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000180109545 276194942 /nfs/dbraw/zinc/19/49/42/276194942.db2.gz NVWVXTZITRVWEF-XLIONFOSSA-N 1 3 315.505 2.846 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000367601823 429682051 /nfs/dbraw/zinc/68/20/51/429682051.db2.gz PRPQCXNFNJCABU-TWMKSMIVSA-N 1 3 308.853 2.836 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H](O)c2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000367601823 429682055 /nfs/dbraw/zinc/68/20/55/429682055.db2.gz PRPQCXNFNJCABU-TWMKSMIVSA-N 1 3 308.853 2.836 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2F)C[C@@H]1C ZINC000354211861 276213826 /nfs/dbraw/zinc/21/38/26/276213826.db2.gz YPRYQLCKPIILQE-LSDHHAIUSA-N 1 3 321.440 2.959 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2F)C[C@@H]1C ZINC000354211861 276213827 /nfs/dbraw/zinc/21/38/27/276213827.db2.gz YPRYQLCKPIILQE-LSDHHAIUSA-N 1 3 321.440 2.959 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430552750 429689696 /nfs/dbraw/zinc/68/96/96/429689696.db2.gz KOEGACFXGPYZCM-ZIAGYGMSSA-N 1 3 307.413 2.522 20 0 DFADHO CC(C)[C@@](C)(C[NH3+])NCCOc1ccc(Br)cc1 ZINC000430558606 429691325 /nfs/dbraw/zinc/69/13/25/429691325.db2.gz VZGIXJLZGVPJPM-CQSZACIVSA-N 1 3 315.255 2.791 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCCN(CCCc2nc(-c3ccccc3)no2)C1 ZINC000430583783 429696454 /nfs/dbraw/zinc/69/64/54/429696454.db2.gz TUJBPACJEXHYON-HOCLYGCPSA-N 1 3 314.433 2.728 20 0 DFADHO CCOc1ccccc1OCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262305285 276383541 /nfs/dbraw/zinc/38/35/41/276383541.db2.gz OZXWFJQVSKTYQQ-ARFHVFGLSA-N 1 3 304.434 2.523 20 0 DFADHO N[C@@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430607298 429700700 /nfs/dbraw/zinc/70/07/00/429700700.db2.gz BWMKPEAJEKQTLI-CYBMUJFWSA-N 1 3 302.340 2.897 20 0 DFADHO N[C@@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430607298 429700704 /nfs/dbraw/zinc/70/07/04/429700704.db2.gz BWMKPEAJEKQTLI-CYBMUJFWSA-N 1 3 302.340 2.897 20 0 DFADHO COCC[NH+](CCOC)C1CCN(CCC2=CCCCC2)CC1 ZINC000450993156 429746023 /nfs/dbraw/zinc/74/60/23/429746023.db2.gz PGXROXSOKMVEAT-UHFFFAOYSA-N 1 3 324.509 2.936 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)N ZINC000430641406 429705253 /nfs/dbraw/zinc/70/52/53/429705253.db2.gz SSTRQVJPNDKUPU-XJKSGUPXSA-N 1 3 307.413 2.664 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](C)N ZINC000430641406 429705256 /nfs/dbraw/zinc/70/52/56/429705256.db2.gz SSTRQVJPNDKUPU-XJKSGUPXSA-N 1 3 307.413 2.664 20 0 DFADHO CC(C)[C@@H](O)CN1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000367795450 429718207 /nfs/dbraw/zinc/71/82/07/429718207.db2.gz VVKLEUDWEBPVOP-MOPGFXCFSA-N 1 3 304.478 2.990 20 0 DFADHO CC(C)[C@@H](O)CN1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000367795450 429718213 /nfs/dbraw/zinc/71/82/13/429718213.db2.gz VVKLEUDWEBPVOP-MOPGFXCFSA-N 1 3 304.478 2.990 20 0 DFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000430889156 429721732 /nfs/dbraw/zinc/72/17/32/429721732.db2.gz LWPMBNFJPDPWQC-YYIAUSFCSA-N 1 3 309.498 2.663 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000367872066 429732943 /nfs/dbraw/zinc/73/29/43/429732943.db2.gz WPAUZWDOOGOGAU-QZTJIDSGSA-N 1 3 306.425 2.593 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000367872066 429732948 /nfs/dbraw/zinc/73/29/48/429732948.db2.gz WPAUZWDOOGOGAU-QZTJIDSGSA-N 1 3 306.425 2.593 20 0 DFADHO CN(C[C@@H]1Cc2ccccc21)C1CC[NH+](C2CCOCC2)CC1 ZINC000367869721 429733529 /nfs/dbraw/zinc/73/35/29/429733529.db2.gz YBJFUDUFPZLIEL-KRWDZBQOSA-N 1 3 314.473 2.902 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]C/C=C/c2ccncc2)C[C@@H](C)O1 ZINC000486940918 429754637 /nfs/dbraw/zinc/75/46/37/429754637.db2.gz QIIJCPKITOJCJR-SDKBWNRFSA-N 1 3 303.450 2.574 20 0 DFADHO c1ccc(C[N@H+]2CC[C@H]3CN(CC4=CCCOC4)C[C@H]3C2)cc1 ZINC000367967379 429756457 /nfs/dbraw/zinc/75/64/57/429756457.db2.gz UWOOXKBWBMLTCK-VQTJNVASSA-N 1 3 312.457 2.787 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@H]3CN(CC4=CCCOC4)C[C@H]3C2)cc1 ZINC000367967379 429756462 /nfs/dbraw/zinc/75/64/62/429756462.db2.gz UWOOXKBWBMLTCK-VQTJNVASSA-N 1 3 312.457 2.787 20 0 DFADHO C[C@@H](CCNC(=O)c1ccccc1CN(C)C)[NH+]1CCCCC1 ZINC000487006108 429759166 /nfs/dbraw/zinc/75/91/66/429759166.db2.gz HURPZRFDHRALAV-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccccc1CN(C)C ZINC000487056604 429762509 /nfs/dbraw/zinc/76/25/09/429762509.db2.gz DANGWJYICOUZOA-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@](O)(c2ccccc2)CC1 ZINC000368072735 429780735 /nfs/dbraw/zinc/78/07/35/429780735.db2.gz PZLKGTPZXTUKFV-RBUKOAKNSA-N 1 3 302.462 2.844 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@](O)(c2ccccc2)CC1 ZINC000368072735 429780738 /nfs/dbraw/zinc/78/07/38/429780738.db2.gz PZLKGTPZXTUKFV-RBUKOAKNSA-N 1 3 302.462 2.844 20 0 DFADHO C[C@H](CN1CCCCC1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431913999 429789984 /nfs/dbraw/zinc/78/99/84/429789984.db2.gz PBPKFIOVKPENNX-AEFFLSMTSA-N 1 3 317.477 2.670 20 0 DFADHO COC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000368235193 429815347 /nfs/dbraw/zinc/81/53/47/429815347.db2.gz NSRQHBXVQZPWFA-WZGPROSRSA-N 1 3 302.462 2.912 20 0 DFADHO COC[C@H](C)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000368235193 429815351 /nfs/dbraw/zinc/81/53/51/429815351.db2.gz NSRQHBXVQZPWFA-WZGPROSRSA-N 1 3 302.462 2.912 20 0 DFADHO COC[C@H](C)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000368235193 429815352 /nfs/dbraw/zinc/81/53/52/429815352.db2.gz NSRQHBXVQZPWFA-WZGPROSRSA-N 1 3 302.462 2.912 20 0 DFADHO CN(Cc1cncs1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368297550 429827665 /nfs/dbraw/zinc/82/76/65/429827665.db2.gz FYIYFPOEVZMUCH-UHFFFAOYSA-N 1 3 302.447 2.887 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCCC1CCOCC1 ZINC000368530470 429863250 /nfs/dbraw/zinc/86/32/50/429863250.db2.gz MRWZXLUFPBHUTA-GUDVDZBRSA-N 1 3 324.509 2.767 20 0 DFADHO CS[C@@H]1CN(c2ccncc2-c2cccnc2)C[C@@H]1[NH+](C)C ZINC000368543110 429864308 /nfs/dbraw/zinc/86/43/08/429864308.db2.gz GBYSTQZHHGYIDI-DLBZAZTESA-N 1 3 314.458 2.625 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1CCN(C2CC2)CC1 ZINC000494271683 429864859 /nfs/dbraw/zinc/86/48/59/429864859.db2.gz SAWPPLUMSPIYCF-MRXNPFEDSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1CCN(C2CC2)CC1 ZINC000494271683 429864862 /nfs/dbraw/zinc/86/48/62/429864862.db2.gz SAWPPLUMSPIYCF-MRXNPFEDSA-N 1 3 321.509 2.632 20 0 DFADHO COCC(C)(C)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000494338726 429867615 /nfs/dbraw/zinc/86/76/15/429867615.db2.gz LCYZLJOKVYIHDF-GOSISDBHSA-N 1 3 304.478 2.813 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000528392787 429884299 /nfs/dbraw/zinc/88/42/99/429884299.db2.gz DJMWLSRYWXVQJS-BMGDILEWSA-N 1 3 308.441 2.798 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000528392787 429884300 /nfs/dbraw/zinc/88/43/00/429884300.db2.gz DJMWLSRYWXVQJS-BMGDILEWSA-N 1 3 308.441 2.798 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000528392794 429884590 /nfs/dbraw/zinc/88/45/90/429884590.db2.gz DJMWLSRYWXVQJS-ZTFGCOKTSA-N 1 3 308.441 2.798 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000528392794 429884591 /nfs/dbraw/zinc/88/45/91/429884591.db2.gz DJMWLSRYWXVQJS-ZTFGCOKTSA-N 1 3 308.441 2.798 20 0 DFADHO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCCN2C)o1 ZINC000368755697 429891737 /nfs/dbraw/zinc/89/17/37/429891737.db2.gz CYWAAKVSIXAMDS-WBVHZDCISA-N 1 3 319.449 2.537 20 0 DFADHO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCCN2C)o1 ZINC000368755697 429891738 /nfs/dbraw/zinc/89/17/38/429891738.db2.gz CYWAAKVSIXAMDS-WBVHZDCISA-N 1 3 319.449 2.537 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)CC1 ZINC000369122240 429914321 /nfs/dbraw/zinc/91/43/21/429914321.db2.gz OFDQODWBCMBDIP-RBUKOAKNSA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)CC1 ZINC000369122240 429914322 /nfs/dbraw/zinc/91/43/22/429914322.db2.gz OFDQODWBCMBDIP-RBUKOAKNSA-N 1 3 307.526 2.915 20 0 DFADHO Cc1ccc(O)c(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000369136844 429915531 /nfs/dbraw/zinc/91/55/31/429915531.db2.gz AKWYOSLOONSXAT-KRWDZBQOSA-N 1 3 311.429 2.707 20 0 DFADHO Cc1ccc(O)c(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000369136844 429915533 /nfs/dbraw/zinc/91/55/33/429915533.db2.gz AKWYOSLOONSXAT-KRWDZBQOSA-N 1 3 311.429 2.707 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2c2cccn2C)CC1 ZINC000369207015 429919386 /nfs/dbraw/zinc/91/93/86/429919386.db2.gz WXRBYKCEDXEPHY-LJQANCHMSA-N 1 3 318.509 2.578 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2c2cccn2C)CC1 ZINC000369207015 429919388 /nfs/dbraw/zinc/91/93/88/429919388.db2.gz WXRBYKCEDXEPHY-LJQANCHMSA-N 1 3 318.509 2.578 20 0 DFADHO CCc1ccccc1CCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000369348040 429927627 /nfs/dbraw/zinc/92/76/27/429927627.db2.gz GUNISXKJLTXSQQ-HSALFYBXSA-N 1 3 316.489 2.975 20 0 DFADHO C(CN1CCCC12CCOCC2)C[N@@H+]1CCCC12CCOCC2 ZINC000368577095 429870204 /nfs/dbraw/zinc/87/02/04/429870204.db2.gz SCTHHUZDPALTAM-UHFFFAOYSA-N 1 3 322.493 2.667 20 0 DFADHO C(CN1CCCC12CCOCC2)C[N@H+]1CCCC12CCOCC2 ZINC000368577095 429870207 /nfs/dbraw/zinc/87/02/07/429870207.db2.gz SCTHHUZDPALTAM-UHFFFAOYSA-N 1 3 322.493 2.667 20 0 DFADHO COC[C@@H](O)CNCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000573676184 429971634 /nfs/dbraw/zinc/97/16/34/429971634.db2.gz GPHWAKUIOKCCOH-IBGZPJMESA-N 1 3 320.477 2.548 20 0 DFADHO COC[C@@H](O)CNCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000573676184 429971636 /nfs/dbraw/zinc/97/16/36/429971636.db2.gz GPHWAKUIOKCCOH-IBGZPJMESA-N 1 3 320.477 2.548 20 0 DFADHO C[C@H](N[C@@H](C[NH3+])C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000573711275 429975271 /nfs/dbraw/zinc/97/52/71/429975271.db2.gz ANSOTHRCPAVLTA-KSSFIOAISA-N 1 3 313.449 2.826 20 0 DFADHO c1cc(N2CCCN(CCOCC3CCCC3)CC2)cc[nH+]1 ZINC000639682825 429943362 /nfs/dbraw/zinc/94/33/62/429943362.db2.gz ABOGXHYCSKFWNZ-UHFFFAOYSA-N 1 3 303.450 2.801 20 0 DFADHO CC[NH+]1CCC(CN[C@@H](C)c2cc(C(=O)OC)cs2)CC1 ZINC000557705012 429952865 /nfs/dbraw/zinc/95/28/65/429952865.db2.gz RGGHIKITAVSVKB-LBPRGKRZSA-N 1 3 310.463 2.917 20 0 DFADHO Cc1ccc(C[NH3+])cc1-c1ccccc1CN1CCN(C)CC1 ZINC000634576385 430041075 /nfs/dbraw/zinc/04/10/75/430041075.db2.gz PYWROAGILASGLU-UHFFFAOYSA-N 1 3 309.457 2.868 20 0 DFADHO CCC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000574499183 430046760 /nfs/dbraw/zinc/04/67/60/430046760.db2.gz MDJXQTPCSMDFHA-MAUKXSAKSA-N 1 3 321.509 2.678 20 0 DFADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748960 429990043 /nfs/dbraw/zinc/99/00/43/429990043.db2.gz MCONTTGQWRRCND-SXLOBPIMSA-N 1 3 315.505 2.889 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748960 429990047 /nfs/dbraw/zinc/99/00/47/429990047.db2.gz MCONTTGQWRRCND-SXLOBPIMSA-N 1 3 315.505 2.889 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748960 429990050 /nfs/dbraw/zinc/99/00/50/429990050.db2.gz MCONTTGQWRRCND-SXLOBPIMSA-N 1 3 315.505 2.889 20 0 DFADHO C[C@H](NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558968545 429995787 /nfs/dbraw/zinc/99/57/87/429995787.db2.gz HCCBNNVMFNOLQW-RNQOJCNYSA-N 1 3 316.489 2.861 20 0 DFADHO C[NH+]1CCC(CCO)(NCc2csc3ccccc23)CC1 ZINC000574172696 430018899 /nfs/dbraw/zinc/01/88/99/430018899.db2.gz UXNGHYDOLYZKEU-UHFFFAOYSA-N 1 3 304.459 2.838 20 0 DFADHO C[C@@H]([NH2+]C1CCN(C2CCN(C)CC2)CC1)C1CC(F)(F)C1 ZINC000529536971 430023955 /nfs/dbraw/zinc/02/39/55/430023955.db2.gz BPOFNLMNUKPPHU-CYBMUJFWSA-N 1 3 315.452 2.568 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733098 430092604 /nfs/dbraw/zinc/09/26/04/430092604.db2.gz XAXOOJCCPJMWIA-CZUORRHYSA-N 1 3 321.440 2.911 20 0 DFADHO CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCNCC(C)(C)C2)CC1 ZINC000634732672 430093535 /nfs/dbraw/zinc/09/35/35/430093535.db2.gz LUQPFUDKRFLZOD-INIZCTEOSA-N 1 3 323.525 2.781 20 0 DFADHO C[C@@H](CN(CC[C@H]1CCC[N@@H+]1C)[C@@H](C)CO)c1ccccc1 ZINC000561916422 430103007 /nfs/dbraw/zinc/10/30/07/430103007.db2.gz AKHRWUIXMYXYRM-JENIJYKNSA-N 1 3 304.478 2.957 20 0 DFADHO C[C@@H](CN(CC[C@H]1CCC[N@H+]1C)[C@@H](C)CO)c1ccccc1 ZINC000561916422 430103013 /nfs/dbraw/zinc/10/30/13/430103013.db2.gz AKHRWUIXMYXYRM-JENIJYKNSA-N 1 3 304.478 2.957 20 0 DFADHO CC(C)(CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C(=O)N1CCCC1 ZINC000530226515 430105860 /nfs/dbraw/zinc/10/58/60/430105860.db2.gz RODGDBDUDNLMSI-GVDBMIGSSA-N 1 3 321.509 2.535 20 0 DFADHO COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCNC23CCC3)cc1O ZINC000530243322 430107630 /nfs/dbraw/zinc/10/76/30/430107630.db2.gz HLTZNUMZOFKKOA-CXAGYDPISA-N 1 3 304.434 2.596 20 0 DFADHO Cc1cc(NC(=O)CCCC[NH+](C)C)ccc1OCCN(C)C ZINC000562662598 430162853 /nfs/dbraw/zinc/16/28/53/430162853.db2.gz YQJGPNQDSSTRAQ-UHFFFAOYSA-N 1 3 321.465 2.606 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@]2(C)C2CCCCC2)CC1 ZINC000640221196 430118313 /nfs/dbraw/zinc/11/83/13/430118313.db2.gz UHYWPZLSKNDDNI-IBGZPJMESA-N 1 3 321.509 2.632 20 0 DFADHO CCCN(CCC[NH+](C)C)C(=O)c1ccccc1CN(C)C ZINC000562328105 430120579 /nfs/dbraw/zinc/12/05/79/430120579.db2.gz KNFOLTDNFDICHA-UHFFFAOYSA-N 1 3 305.466 2.552 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC[N@@H+]1C ZINC000637830682 430139841 /nfs/dbraw/zinc/13/98/41/430139841.db2.gz CIZNJGBRTJGZCT-RCCFBDPRSA-N 1 3 317.477 2.656 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC[N@H+]1C ZINC000637830682 430139845 /nfs/dbraw/zinc/13/98/45/430139845.db2.gz CIZNJGBRTJGZCT-RCCFBDPRSA-N 1 3 317.477 2.656 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000370636159 277029114 /nfs/dbraw/zinc/02/91/14/277029114.db2.gz QRFMQEYCCSCUPP-LPHOPBHVSA-N 1 3 317.452 2.571 20 0 DFADHO C[NH+]1CCC(N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)CC1 ZINC000290630878 277031341 /nfs/dbraw/zinc/03/13/41/277031341.db2.gz XZKARSKNAJSSNI-RTBURBONSA-N 1 3 310.445 2.796 20 0 DFADHO Nc1ccc(-c2cccc(CN3CCC4(CC[NH2+]C4)CC3)n2)cc1 ZINC000634995177 430187618 /nfs/dbraw/zinc/18/76/18/430187618.db2.gz XOVXCQRKGMQMDG-UHFFFAOYSA-N 1 3 322.456 2.906 20 0 DFADHO CN1CCCN(CCC[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000246886845 277051483 /nfs/dbraw/zinc/05/14/83/277051483.db2.gz DMNOFFYZULOQQY-IBGZPJMESA-N 1 3 301.478 2.681 20 0 DFADHO CC(C)C1CCC(N2CCN(CC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000634993369 430186793 /nfs/dbraw/zinc/18/67/93/430186793.db2.gz RYLAOMWLXPPKDL-UHFFFAOYSA-N 1 3 305.510 2.571 20 0 DFADHO C[C@H](N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000634997856 430189040 /nfs/dbraw/zinc/18/90/40/430189040.db2.gz UWMXQEQMEOSYRY-AYOILBJTSA-N 1 3 321.262 2.675 20 0 DFADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000635001440 430192264 /nfs/dbraw/zinc/19/22/64/430192264.db2.gz SGKUKISOABKMMS-RHMLRGBNSA-N 1 3 321.262 2.947 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000635001440 430192268 /nfs/dbraw/zinc/19/22/68/430192268.db2.gz SGKUKISOABKMMS-RHMLRGBNSA-N 1 3 321.262 2.947 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000635003208 430192405 /nfs/dbraw/zinc/19/24/05/430192405.db2.gz GYYRHXNYSRPIJP-ZOEFBKMBSA-N 1 3 309.251 2.803 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000635003208 430192408 /nfs/dbraw/zinc/19/24/08/430192408.db2.gz GYYRHXNYSRPIJP-ZOEFBKMBSA-N 1 3 309.251 2.803 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635005068 430193316 /nfs/dbraw/zinc/19/33/16/430193316.db2.gz LQMCFOYVHNOHIV-QWCIBXROSA-N 1 3 309.251 2.803 20 0 DFADHO C[C@@H](N)C[C@H](C)[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635005068 430193319 /nfs/dbraw/zinc/19/33/19/430193319.db2.gz LQMCFOYVHNOHIV-QWCIBXROSA-N 1 3 309.251 2.803 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@]2(C)OCCc3sccc32)[C@H]2CCC[C@@H]21 ZINC000353630063 277172119 /nfs/dbraw/zinc/17/21/19/277172119.db2.gz LTXXMOADTCSZPD-VKZRIFJHSA-N 1 3 320.502 2.998 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@]2(C)OCCc3sccc32)[C@H]2CCC[C@@H]21 ZINC000353630063 277172121 /nfs/dbraw/zinc/17/21/21/277172121.db2.gz LTXXMOADTCSZPD-VKZRIFJHSA-N 1 3 320.502 2.998 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCn1ccc(C(F)(F)F)n1 ZINC000635014431 430197674 /nfs/dbraw/zinc/19/76/74/430197674.db2.gz ULIDUUHKGRVHTI-CHWSQXEVSA-N 1 3 318.387 2.802 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@H]3CCCC[C@H]3C[NH3+])C2)cc1 ZINC000635013687 430198826 /nfs/dbraw/zinc/19/88/26/430198826.db2.gz VCKWLSNCPAEJGK-FHWLQOOXSA-N 1 3 301.478 2.676 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)NCc1cccc2c1CC[NH2+]C2 ZINC000635024246 430199730 /nfs/dbraw/zinc/19/97/30/430199730.db2.gz UYWMBDFDRSWBGV-OAHLLOKOSA-N 1 3 323.440 2.839 20 0 DFADHO CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000638051800 430219763 /nfs/dbraw/zinc/21/97/63/430219763.db2.gz RJJBKGWZSPLYFM-CABCVRRESA-N 1 3 323.506 2.765 20 0 DFADHO CCN[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000638061984 430223876 /nfs/dbraw/zinc/22/38/76/430223876.db2.gz BUKNDYVJTWSQRV-GJZGRUSLSA-N 1 3 303.450 2.998 20 0 DFADHO CCN[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000638061984 430223879 /nfs/dbraw/zinc/22/38/79/430223879.db2.gz BUKNDYVJTWSQRV-GJZGRUSLSA-N 1 3 303.450 2.998 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccsc1 ZINC000635280743 430244960 /nfs/dbraw/zinc/24/49/60/430244960.db2.gz WCCHVEACPSOMAT-GOEBONIOSA-N 1 3 323.506 2.589 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccsc1 ZINC000635280743 430244963 /nfs/dbraw/zinc/24/49/63/430244963.db2.gz WCCHVEACPSOMAT-GOEBONIOSA-N 1 3 323.506 2.589 20 0 DFADHO C[NH2+]C[C@](C)(O)CN1CCC(CCc2ccc(C)cc2)CC1 ZINC000582008724 430260347 /nfs/dbraw/zinc/26/03/47/430260347.db2.gz ZBSFZOMNRLECSS-IBGZPJMESA-N 1 3 304.478 2.610 20 0 DFADHO CNC[C@](C)(O)C[NH+]1CCC(CCc2ccc(C)cc2)CC1 ZINC000582008724 430260353 /nfs/dbraw/zinc/26/03/53/430260353.db2.gz ZBSFZOMNRLECSS-IBGZPJMESA-N 1 3 304.478 2.610 20 0 DFADHO C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)c1nc(-c2ccccc2)no1 ZINC000566482073 430265330 /nfs/dbraw/zinc/26/53/30/430265330.db2.gz RRTKKGDUQXXLLJ-YUELXQCFSA-N 1 3 300.406 2.700 20 0 DFADHO c1ccc(N2CC[C@@H](CN3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000638113327 430239863 /nfs/dbraw/zinc/23/98/63/430239863.db2.gz RSPIEMGAFYOTEU-OALUTQOASA-N 1 3 313.489 2.931 20 0 DFADHO c1ccc(N2CC[C@@H](C[N@H+]3CC[C@@H](CN4CCCC4)C3)C2)cc1 ZINC000638113327 430239868 /nfs/dbraw/zinc/23/98/68/430239868.db2.gz RSPIEMGAFYOTEU-OALUTQOASA-N 1 3 313.489 2.931 20 0 DFADHO c1ccc(N2CC[C@@H](C[N@@H+]3CC[C@@H](CN4CCCC4)C3)C2)cc1 ZINC000638113327 430239870 /nfs/dbraw/zinc/23/98/70/430239870.db2.gz RSPIEMGAFYOTEU-OALUTQOASA-N 1 3 313.489 2.931 20 0 DFADHO c1ccc(N2CC[C@H](CN3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000638113329 430240389 /nfs/dbraw/zinc/24/03/89/430240389.db2.gz RSPIEMGAFYOTEU-RTBURBONSA-N 1 3 313.489 2.931 20 0 DFADHO c1ccc(N2CC[C@H](C[N@H+]3CC[C@H](CN4CCCC4)C3)C2)cc1 ZINC000638113329 430240393 /nfs/dbraw/zinc/24/03/93/430240393.db2.gz RSPIEMGAFYOTEU-RTBURBONSA-N 1 3 313.489 2.931 20 0 DFADHO c1ccc(N2CC[C@H](C[N@@H+]3CC[C@H](CN4CCCC4)C3)C2)cc1 ZINC000638113329 430240397 /nfs/dbraw/zinc/24/03/97/430240397.db2.gz RSPIEMGAFYOTEU-RTBURBONSA-N 1 3 313.489 2.931 20 0 DFADHO CCC[C@H](C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)OC ZINC000638272733 430290180 /nfs/dbraw/zinc/29/01/80/430290180.db2.gz BELPHPURNOASSR-LJQANCHMSA-N 1 3 320.477 2.548 20 0 DFADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000582414439 430296744 /nfs/dbraw/zinc/29/67/44/430296744.db2.gz OFROCXQDYWWFHI-DLBZAZTESA-N 1 3 302.466 2.822 20 0 DFADHO CC(C)(O)C[NH+]1CCC(NCCSc2ccccc2)CC1 ZINC000638304992 430299752 /nfs/dbraw/zinc/29/97/52/430299752.db2.gz ODGKLOKGXYKMOP-UHFFFAOYSA-N 1 3 308.491 2.604 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC[C@H](OC)[C@H]2CCOC2)c1 ZINC000638382110 430325170 /nfs/dbraw/zinc/32/51/70/430325170.db2.gz SCLYPSNNEFZGKU-OALUTQOASA-N 1 3 320.477 2.670 20 0 DFADHO COc1cc(C[C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)ccn1 ZINC000638390953 430326737 /nfs/dbraw/zinc/32/67/37/430326737.db2.gz MYPNYFIEWNODCD-HOTGVXAUSA-N 1 3 305.466 2.733 20 0 DFADHO COc1cc(C[C@H](C)NC[C@H](C)C[NH+]2CCCCC2)ccn1 ZINC000638390953 430326743 /nfs/dbraw/zinc/32/67/43/430326743.db2.gz MYPNYFIEWNODCD-HOTGVXAUSA-N 1 3 305.466 2.733 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](C)C(C)C)CC2)CC1 ZINC000582794629 430335660 /nfs/dbraw/zinc/33/56/60/430335660.db2.gz FXOGFOWAKJGACF-INIZCTEOSA-N 1 3 323.525 2.591 20 0 DFADHO CCCC[NH+]1CCC(N[C@@H](C)Cc2ccnc(OC)c2)CC1 ZINC000638430007 430341812 /nfs/dbraw/zinc/34/18/12/430341812.db2.gz NWCFSJIPBGUWAZ-HNNXBMFYSA-N 1 3 305.466 2.875 20 0 DFADHO CCN1CCC[C@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638450782 430347099 /nfs/dbraw/zinc/34/70/99/430347099.db2.gz HMJOWOLUXXRLHY-QZTJIDSGSA-N 1 3 301.478 2.834 20 0 DFADHO CO[C@H](CNCC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000638725668 430418618 /nfs/dbraw/zinc/41/86/18/430418618.db2.gz HEIRFMXWRIYNLX-NZSAHSFTSA-N 1 3 320.477 2.538 20 0 DFADHO CO[C@H](CNCC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000638725668 430418619 /nfs/dbraw/zinc/41/86/19/430418619.db2.gz HEIRFMXWRIYNLX-NZSAHSFTSA-N 1 3 320.477 2.538 20 0 DFADHO CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)cc1OCC ZINC000568415143 430359267 /nfs/dbraw/zinc/35/92/67/430359267.db2.gz IOECGFFQRFWPOA-HZPDHXFCSA-N 1 3 306.450 2.886 20 0 DFADHO CCOc1ccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000568415143 430359272 /nfs/dbraw/zinc/35/92/72/430359272.db2.gz IOECGFFQRFWPOA-HZPDHXFCSA-N 1 3 306.450 2.886 20 0 DFADHO c1ccc(CCN2CC[C@@H](C[NH2+]CCC3CCOCC3)C2)cc1 ZINC000638522196 430366090 /nfs/dbraw/zinc/36/60/90/430366090.db2.gz YDUNZKULXLOBFB-FQEVSTJZSA-N 1 3 316.489 2.957 20 0 DFADHO CCC[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)OC ZINC000638521306 430366581 /nfs/dbraw/zinc/36/65/81/430366581.db2.gz GKIJCECOKDENHP-MOPGFXCFSA-N 1 3 304.478 2.956 20 0 DFADHO CCC[C@@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)OC ZINC000638521306 430366587 /nfs/dbraw/zinc/36/65/87/430366587.db2.gz GKIJCECOKDENHP-MOPGFXCFSA-N 1 3 304.478 2.956 20 0 DFADHO CCC[C@@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)OC ZINC000638521306 430366591 /nfs/dbraw/zinc/36/65/91/430366591.db2.gz GKIJCECOKDENHP-MOPGFXCFSA-N 1 3 304.478 2.956 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@H]1CC1(F)F ZINC000638540062 430371828 /nfs/dbraw/zinc/37/18/28/430371828.db2.gz YEVWJDLKPKSJTC-CZUORRHYSA-N 1 3 312.404 2.803 20 0 DFADHO CC[C@H](C(=O)N1CCCc2cccc(C[NH3+])c21)N(CC)CC ZINC000638543604 430372587 /nfs/dbraw/zinc/37/25/87/430372587.db2.gz CJBXAVTUDUXPSO-MRXNPFEDSA-N 1 3 303.450 2.545 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)N2CCCc3cccc(CN)c32)CC1 ZINC000638544770 430374321 /nfs/dbraw/zinc/37/43/21/430374321.db2.gz ZKHFXXJSVHPKOH-UHFFFAOYSA-N 1 3 315.461 2.545 20 0 DFADHO CO[C@@]1(CNCC(C)(C)[NH2+][C@H](C)c2ccccc2)CCOC1 ZINC000638600574 430384811 /nfs/dbraw/zinc/38/48/11/430384811.db2.gz CNLZYCYVOFOPLA-CRAIPNDOSA-N 1 3 306.450 2.511 20 0 DFADHO C[C@H]1C[C@H](NCCC(=O)Nc2cccc(Cl)c2)CC[N@@H+]1C ZINC000568740305 430386079 /nfs/dbraw/zinc/38/60/79/430386079.db2.gz FEMUPDZMUJCOCP-GXTWGEPZSA-N 1 3 309.841 2.741 20 0 DFADHO C[C@H]1C[C@H](NCCC(=O)Nc2cccc(Cl)c2)CC[N@H+]1C ZINC000568740305 430386083 /nfs/dbraw/zinc/38/60/83/430386083.db2.gz FEMUPDZMUJCOCP-GXTWGEPZSA-N 1 3 309.841 2.741 20 0 DFADHO CSC[C@@H](O)CNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000568751018 430388437 /nfs/dbraw/zinc/38/84/37/430388437.db2.gz UFDOLJHBLDWOHU-SFHVURJKSA-N 1 3 322.518 2.876 20 0 DFADHO COc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000583451362 430397906 /nfs/dbraw/zinc/39/79/06/430397906.db2.gz SJGIWUISSJBZPD-GDBMZVCRSA-N 1 3 303.450 2.524 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](CC/C=C/c2cncc(OC)c2)C1 ZINC000583497164 430401279 /nfs/dbraw/zinc/40/12/79/430401279.db2.gz YAERBCNTOXRESZ-UABRLCRWSA-N 1 3 303.450 2.767 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](CC/C=C/c2cncc(OC)c2)C1 ZINC000583497164 430401282 /nfs/dbraw/zinc/40/12/82/430401282.db2.gz YAERBCNTOXRESZ-UABRLCRWSA-N 1 3 303.450 2.767 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](CC/C=C\c2cncc(OC)c2)C1 ZINC000583497166 430401580 /nfs/dbraw/zinc/40/15/80/430401580.db2.gz YAERBCNTOXRESZ-XTKXOIQPSA-N 1 3 303.450 2.767 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](CC/C=C\c2cncc(OC)c2)C1 ZINC000583497166 430401583 /nfs/dbraw/zinc/40/15/83/430401583.db2.gz YAERBCNTOXRESZ-XTKXOIQPSA-N 1 3 303.450 2.767 20 0 DFADHO C[C@@H]1C[C@H]1c1ccc(CN(C)CCC[N@H+](C)CCN(C)C)o1 ZINC000583532755 430402735 /nfs/dbraw/zinc/40/27/35/430402735.db2.gz QJORPKWGNJWRLH-NVXWUHKLSA-N 1 3 307.482 2.718 20 0 DFADHO C[C@@H]1C[C@H]1c1ccc(CN(C)CCC[N@@H+](C)CCN(C)C)o1 ZINC000583532755 430402736 /nfs/dbraw/zinc/40/27/36/430402736.db2.gz QJORPKWGNJWRLH-NVXWUHKLSA-N 1 3 307.482 2.718 20 0 DFADHO C[C@@H]1C[C@H]1c1ccc(CN(C)CCCN(C)CC[NH+](C)C)o1 ZINC000583532755 430402742 /nfs/dbraw/zinc/40/27/42/430402742.db2.gz QJORPKWGNJWRLH-NVXWUHKLSA-N 1 3 307.482 2.718 20 0 DFADHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@@H]1CC1(F)F ZINC000638693480 430410769 /nfs/dbraw/zinc/41/07/69/430410769.db2.gz UFFHAYVXOAUCCW-GJZGRUSLSA-N 1 3 315.452 2.570 20 0 DFADHO CC[C@@H](N)C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000569217274 430434244 /nfs/dbraw/zinc/43/42/44/430434244.db2.gz BOGJPXNQIMTYES-BHYGNILZSA-N 1 3 305.466 2.605 20 0 DFADHO C[NH+](C)Cc1cccc(CNCc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000641705258 430447435 /nfs/dbraw/zinc/44/74/35/430447435.db2.gz MZQVIFOYCAOHSC-UHFFFAOYSA-N 1 3 310.401 2.620 20 0 DFADHO COc1cc(C[C@H](C)[NH2+]Cc2cccc(CN(C)C)c2)ccn1 ZINC000638851491 430455464 /nfs/dbraw/zinc/45/54/64/430455464.db2.gz MHLHQWDQPMDFGU-HNNXBMFYSA-N 1 3 313.445 2.873 20 0 DFADHO COc1ccccc1OCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000569566733 430466425 /nfs/dbraw/zinc/46/64/25/430466425.db2.gz YVZLCXSQIWGQCJ-ARFHVFGLSA-N 1 3 304.434 2.584 20 0 DFADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000569566625 430466510 /nfs/dbraw/zinc/46/65/10/430466510.db2.gz FBKRPDHCJQTGPR-ROUUACIJSA-N 1 3 315.461 2.559 20 0 DFADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOc1ccccc1Br ZINC000641802488 430475964 /nfs/dbraw/zinc/47/59/64/430475964.db2.gz LUFSADYWECOHGI-CHWSQXEVSA-N 1 3 313.239 2.543 20 0 DFADHO CCCc1nc(C)c(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)o1 ZINC000641798753 430476283 /nfs/dbraw/zinc/47/62/83/430476283.db2.gz HSTRTWZDVLNVIE-HZPDHXFCSA-N 1 3 321.465 2.654 20 0 DFADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000641802809 430476497 /nfs/dbraw/zinc/47/64/97/430476497.db2.gz PHAXOYOGFYKWHE-OLZOCXBDSA-N 1 3 302.340 2.800 20 0 DFADHO C[C@H]([NH3+])c1ccc(CNC(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000569691781 430479103 /nfs/dbraw/zinc/47/91/03/430479103.db2.gz RAGBIGSNCPKJSN-AWEZNQCLSA-N 1 3 311.429 2.698 20 0 DFADHO N[C@H]1CCCCC[C@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000583806453 430429455 /nfs/dbraw/zinc/42/94/55/430429455.db2.gz HBWQXWLWQNNHHV-ZWKOTPCHSA-N 1 3 323.525 2.519 20 0 DFADHO [NH3+][C@H]1CCCCC[C@H]1NCC1(CN2CCOCC2)CCCCC1 ZINC000583806453 430429458 /nfs/dbraw/zinc/42/94/58/430429458.db2.gz HBWQXWLWQNNHHV-ZWKOTPCHSA-N 1 3 323.525 2.519 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(CC(C)C)C2)[C@]12CCCO2 ZINC000638787836 430433412 /nfs/dbraw/zinc/43/34/12/430433412.db2.gz KACBVHKTKMSMDL-FCGDIQPGSA-N 1 3 324.509 2.671 20 0 DFADHO COc1cc(CNCC2(C)CC[NH+](C)CC2)c(Cl)cc1O ZINC000638962751 430482841 /nfs/dbraw/zinc/48/28/41/430482841.db2.gz XUHZNQLGKPZOQE-UHFFFAOYSA-N 1 3 312.841 2.876 20 0 DFADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000638969364 430483596 /nfs/dbraw/zinc/48/35/96/430483596.db2.gz GKTWMSFVAORVBW-TWMKSMIVSA-N 1 3 321.509 2.676 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000638981294 430486679 /nfs/dbraw/zinc/48/66/79/430486679.db2.gz QKQUFPYMPIGWHO-KRWDZBQOSA-N 1 3 315.461 2.554 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000569919267 430497144 /nfs/dbraw/zinc/49/71/44/430497144.db2.gz UZSYENWCQQEQOS-OOHWJJMZSA-N 1 3 302.466 2.516 20 0 DFADHO CCN1CCN(c2cccc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)CC1 ZINC000639057343 430505559 /nfs/dbraw/zinc/50/55/59/430505559.db2.gz MUJISZUWOINFBB-SJLPKXTDSA-N 1 3 316.493 2.723 20 0 DFADHO CCN1CCN(c2cccc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000639057343 430505565 /nfs/dbraw/zinc/50/55/65/430505565.db2.gz MUJISZUWOINFBB-SJLPKXTDSA-N 1 3 316.493 2.723 20 0 DFADHO [NH3+]C[C@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)c2ccccc21 ZINC000639064987 430509088 /nfs/dbraw/zinc/50/90/88/430509088.db2.gz NHTVTZNSYJEUBK-KDOFPFPSSA-N 1 3 321.424 2.700 20 0 DFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[NH3+])c3ccccc32)c1 ZINC000639064058 430509406 /nfs/dbraw/zinc/50/94/06/430509406.db2.gz BWXNPFRAXFROEY-QGZVFWFLSA-N 1 3 323.440 2.841 20 0 DFADHO Cc1ncc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)n1C ZINC000570175407 430520752 /nfs/dbraw/zinc/52/07/52/430520752.db2.gz CPNNMYZEWMHKOY-KXBFYZLASA-N 1 3 312.461 2.729 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOC[C@@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000551050763 430549292 /nfs/dbraw/zinc/54/92/92/430549292.db2.gz BROPTPLQOGONEP-FHWLQOOXSA-N 1 3 318.461 2.607 20 0 DFADHO C[N@H+]1CC[C@H](NCCOC[C@@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000551050763 430549295 /nfs/dbraw/zinc/54/92/95/430549295.db2.gz BROPTPLQOGONEP-FHWLQOOXSA-N 1 3 318.461 2.607 20 0 DFADHO CC(C)N1CC[C@@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639170314 430553134 /nfs/dbraw/zinc/55/31/34/430553134.db2.gz STZZEQCPIWMPEC-ZWKOTPCHSA-N 1 3 301.478 2.833 20 0 DFADHO C[C@H](N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000643451907 430601541 /nfs/dbraw/zinc/60/15/41/430601541.db2.gz WJRARYRVLBZWRV-QXAKKESOSA-N 1 3 301.478 2.801 20 0 DFADHO O=C(C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)NCCN1CCCCCC1 ZINC000552064823 430582869 /nfs/dbraw/zinc/58/28/69/430582869.db2.gz RIDYUVBCYKOHSU-QZTJIDSGSA-N 1 3 321.509 2.537 20 0 DFADHO CC(C)[N@H+](Cc1ccc(OCCN(C)C)cc1)[C@H]1CCOC1 ZINC000643346437 430589027 /nfs/dbraw/zinc/58/90/27/430589027.db2.gz NRGPLBKJWKBTLV-KRWDZBQOSA-N 1 3 306.450 2.626 20 0 DFADHO CC(C)[N@@H+](Cc1ccc(OCCN(C)C)cc1)[C@H]1CCOC1 ZINC000643346437 430589029 /nfs/dbraw/zinc/58/90/29/430589029.db2.gz NRGPLBKJWKBTLV-KRWDZBQOSA-N 1 3 306.450 2.626 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455371 430602205 /nfs/dbraw/zinc/60/22/05/430602205.db2.gz AJGCDVSPDWZHBZ-SGMGOOAPSA-N 1 3 315.383 3.000 20 0 DFADHO CC(C)[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)N1CCCCC1 ZINC000269196479 277874388 /nfs/dbraw/zinc/87/43/88/277874388.db2.gz IVEPCCQKGDDLSS-GOSISDBHSA-N 1 3 315.461 2.781 20 0 DFADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2C[C@H]2c2ccccc2F)CC1 ZINC000639278394 430597080 /nfs/dbraw/zinc/59/70/80/430597080.db2.gz VYPSKPUOLLAOMT-DOTOQJQBSA-N 1 3 306.425 2.507 20 0 DFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1nccn1Cc1ccccc1 ZINC000571027841 430597287 /nfs/dbraw/zinc/59/72/87/430597287.db2.gz LSCNWCYWJOKMFB-GIOYIUAESA-N 1 3 310.445 2.537 20 0 DFADHO Cc1ccc(CNCCCC[N@@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000570454668 430544423 /nfs/dbraw/zinc/54/44/23/430544423.db2.gz OFSAZLNTZCYSKF-INIZCTEOSA-N 1 3 310.869 2.975 20 0 DFADHO Cc1ccc(CNCCCC[N@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000570454668 430544429 /nfs/dbraw/zinc/54/44/29/430544429.db2.gz OFSAZLNTZCYSKF-INIZCTEOSA-N 1 3 310.869 2.975 20 0 DFADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)[C@H](C)OC)CC2)cc1 ZINC000268879306 277889344 /nfs/dbraw/zinc/88/93/44/277889344.db2.gz FGNGNUNVUMEYGG-CVEARBPZSA-N 1 3 320.477 2.920 20 0 DFADHO Cc1ccc(CCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000643457016 430603194 /nfs/dbraw/zinc/60/31/94/430603194.db2.gz CPIVFZCVDSKFFX-SLFFLAALSA-N 1 3 316.489 2.983 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462723 430604505 /nfs/dbraw/zinc/60/45/05/430604505.db2.gz CQLXXVPSLZQNFY-NOLJZWGESA-N 1 3 309.404 2.651 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462723 430604508 /nfs/dbraw/zinc/60/45/08/430604508.db2.gz CQLXXVPSLZQNFY-NOLJZWGESA-N 1 3 309.404 2.651 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462698 430604829 /nfs/dbraw/zinc/60/48/29/430604829.db2.gz BLEDJBFXAOOBEP-INWMFGNUSA-N 1 3 309.404 2.521 20 0 DFADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(-n3cnnn3)c2)cc1 ZINC000643513898 430611049 /nfs/dbraw/zinc/61/10/49/430611049.db2.gz IUWRRSIVZXUCNZ-KBPBESRZSA-N 1 3 322.416 2.533 20 0 DFADHO COc1ccc2c(c1)[C@@H](N[C@H]1CC13CC[NH2+]CC3)CCS2 ZINC000643535208 430614839 /nfs/dbraw/zinc/61/48/39/430614839.db2.gz KMOMWXUMGXDCLW-HOCLYGCPSA-N 1 3 304.459 2.964 20 0 DFADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ncc(-c2ccccc2)n1C ZINC000643536728 430614926 /nfs/dbraw/zinc/61/49/26/430614926.db2.gz VDBDXKSDICJQQK-YOEHRIQHSA-N 1 3 310.445 2.880 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545678 430615878 /nfs/dbraw/zinc/61/58/78/430615878.db2.gz AHUFSTHRIIETSU-GDBMZVCRSA-N 1 3 301.434 2.668 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643545678 430615881 /nfs/dbraw/zinc/61/58/81/430615881.db2.gz AHUFSTHRIIETSU-GDBMZVCRSA-N 1 3 301.434 2.668 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)CN1Cc1ccccc1 ZINC000643545948 430616287 /nfs/dbraw/zinc/61/62/87/430616287.db2.gz FYEGNDVXLXDMDK-BHIYHBOVSA-N 1 3 313.489 2.914 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCc2cnccn2)CC1 ZINC000639518257 430661150 /nfs/dbraw/zinc/66/11/50/430661150.db2.gz CXVPCDXCCCWMGP-QGZVFWFLSA-N 1 3 316.493 2.996 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCc2cnccn2)CC1 ZINC000639518257 430661153 /nfs/dbraw/zinc/66/11/53/430661153.db2.gz CXVPCDXCCCWMGP-QGZVFWFLSA-N 1 3 316.493 2.996 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000571405346 430625604 /nfs/dbraw/zinc/62/56/04/430625604.db2.gz OMGWWMKMDDICKS-UHFFFAOYSA-N 1 3 318.465 2.612 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000571405346 430625606 /nfs/dbraw/zinc/62/56/06/430625606.db2.gz OMGWWMKMDDICKS-UHFFFAOYSA-N 1 3 318.465 2.612 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000554310932 430633079 /nfs/dbraw/zinc/63/30/79/430633079.db2.gz UPRIWKPFNPLSHP-JKSUJKDBSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248836672 278224856 /nfs/dbraw/zinc/22/48/56/278224856.db2.gz DEHNEPPIGZXATQ-BQFCYCMXSA-N 1 3 317.477 2.625 20 0 DFADHO C[C@@H]([NH2+]CCCOc1cccc2cccnc21)[C@H]1CCCNC1 ZINC000572951424 430698187 /nfs/dbraw/zinc/69/81/87/430698187.db2.gz QHOJPGJQLCDNPR-WBVHZDCISA-N 1 3 313.445 2.981 20 0 DFADHO C[C@@H](NCCCOc1cccc2cccnc21)[C@H]1CCC[NH2+]C1 ZINC000572951424 430698188 /nfs/dbraw/zinc/69/81/88/430698188.db2.gz QHOJPGJQLCDNPR-WBVHZDCISA-N 1 3 313.445 2.981 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCN[C@H]2CCCc3nn(C)cc32)C1 ZINC000358913648 278341830 /nfs/dbraw/zinc/34/18/30/278341830.db2.gz ITHXXKCDUWAVNH-RDJZCZTQSA-N 1 3 304.482 2.899 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCN[C@H]2CCCc3nn(C)cc32)C1 ZINC000358913648 278341832 /nfs/dbraw/zinc/34/18/32/278341832.db2.gz ITHXXKCDUWAVNH-RDJZCZTQSA-N 1 3 304.482 2.899 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338317239 278393032 /nfs/dbraw/zinc/39/30/32/278393032.db2.gz PLQAYRKABGKQBN-KGLIPLIRSA-N 1 3 304.425 2.589 20 0 DFADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000664719784 430730629 /nfs/dbraw/zinc/73/06/29/430730629.db2.gz ZPWMRMDZPSJSQC-GDBMZVCRSA-N 1 3 305.466 2.559 20 0 DFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000664719784 430730633 /nfs/dbraw/zinc/73/06/33/430730633.db2.gz ZPWMRMDZPSJSQC-GDBMZVCRSA-N 1 3 305.466 2.559 20 0 DFADHO Cn1ncc(C2CC2)c1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657816570 430743539 /nfs/dbraw/zinc/74/35/39/430743539.db2.gz XLPKWLCNCUJSCG-UHFFFAOYSA-N 1 3 302.466 2.509 20 0 DFADHO COc1cccc(OC)c1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657813649 430744551 /nfs/dbraw/zinc/74/45/51/430744551.db2.gz WJGMAVNJEQFCLF-UHFFFAOYSA-N 1 3 318.461 2.915 20 0 DFADHO COC[C@H](CC1CCOCC1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000657827356 430745973 /nfs/dbraw/zinc/74/59/73/430745973.db2.gz ZIZAUIWDANSDQL-HNNXBMFYSA-N 1 3 312.498 2.717 20 0 DFADHO COC[C@H](CC1CCOCC1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000657827356 430745978 /nfs/dbraw/zinc/74/59/78/430745978.db2.gz ZIZAUIWDANSDQL-HNNXBMFYSA-N 1 3 312.498 2.717 20 0 DFADHO COC[C@H](CC1CCOCC1)[NH2+]CCCN1CCCC[C@H]1C ZINC000657823836 430746160 /nfs/dbraw/zinc/74/61/60/430746160.db2.gz OTSASIZEZCIVNA-AEFFLSMTSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@H](CC1CCOCC1)NCCC[N@@H+]1CCCC[C@H]1C ZINC000657823836 430746167 /nfs/dbraw/zinc/74/61/67/430746167.db2.gz OTSASIZEZCIVNA-AEFFLSMTSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@H](CC1CCOCC1)NCCC[N@H+]1CCCC[C@H]1C ZINC000657823836 430746170 /nfs/dbraw/zinc/74/61/70/430746170.db2.gz OTSASIZEZCIVNA-AEFFLSMTSA-N 1 3 312.498 2.672 20 0 DFADHO C[N@H+](C[C@H](O)CNCC1(c2ccc(Cl)cc2)CCC1)C1CC1 ZINC000644540650 430747656 /nfs/dbraw/zinc/74/76/56/430747656.db2.gz WSAMRROZLINEDJ-QGZVFWFLSA-N 1 3 322.880 2.806 20 0 DFADHO C[N@@H+](C[C@H](O)CNCC1(c2ccc(Cl)cc2)CCC1)C1CC1 ZINC000644540650 430747660 /nfs/dbraw/zinc/74/76/60/430747660.db2.gz WSAMRROZLINEDJ-QGZVFWFLSA-N 1 3 322.880 2.806 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657835052 430749941 /nfs/dbraw/zinc/74/99/41/430749941.db2.gz KCOBMVABHUWMAE-SQNIBIBYSA-N 1 3 307.526 2.818 20 0 DFADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cc2cnccc2o1 ZINC000657897054 430763423 /nfs/dbraw/zinc/76/34/23/430763423.db2.gz DIHFXVDARSZPMA-AWEZNQCLSA-N 1 3 316.449 2.504 20 0 DFADHO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000373459577 278498958 /nfs/dbraw/zinc/49/89/58/278498958.db2.gz MORRMPVTZXFSCF-SCTDSRPQSA-N 1 3 305.510 2.737 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657969740 430777650 /nfs/dbraw/zinc/77/76/50/430777650.db2.gz UJIYHMZTEVDLBP-MSOLQXFVSA-N 1 3 320.502 2.629 20 0 DFADHO Cc1nc(C)c([C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)s1 ZINC000658106785 430812703 /nfs/dbraw/zinc/81/27/03/430812703.db2.gz CMVYNWYOIQWGFA-QWHCGFSZSA-N 1 3 312.527 2.683 20 0 DFADHO Cc1nc(C)c([C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)s1 ZINC000658106786 430813436 /nfs/dbraw/zinc/81/34/36/430813436.db2.gz CMVYNWYOIQWGFA-STQMWFEESA-N 1 3 312.527 2.683 20 0 DFADHO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658139296 430822224 /nfs/dbraw/zinc/82/22/24/430822224.db2.gz QMCCFDTWXAFWQY-KXBFYZLASA-N 1 3 314.429 2.567 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)C1 ZINC000658147376 430826105 /nfs/dbraw/zinc/82/61/05/430826105.db2.gz ZOZHDLDGNWAOPY-OAQYLSRUSA-N 1 3 322.452 2.510 20 0 DFADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)[C@H]1CCCC[C@H]1C ZINC000648450652 430790535 /nfs/dbraw/zinc/79/05/35/430790535.db2.gz ZMABPLRHGFSSPP-DFEOGRTESA-N 1 3 307.526 2.959 20 0 DFADHO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(OCCN(C)C)cc1 ZINC000658057935 430796608 /nfs/dbraw/zinc/79/66/08/430796608.db2.gz KDRGQWZZYBEFHA-GOEBONIOSA-N 1 3 306.450 2.845 20 0 DFADHO Cc1ncc([C@@H](C)NCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000658066959 430797319 /nfs/dbraw/zinc/79/73/19/430797319.db2.gz HULKEZKAXLICTC-CYBMUJFWSA-N 1 3 323.506 2.993 20 0 DFADHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1nccs1 ZINC000658068787 430797452 /nfs/dbraw/zinc/79/74/52/430797452.db2.gz ZWTJIRBTSYQFJY-CYBMUJFWSA-N 1 3 309.479 2.685 20 0 DFADHO COC[C@H](CCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)OC ZINC000658083768 430804512 /nfs/dbraw/zinc/80/45/12/430804512.db2.gz BZUKFVDUWMKQCO-BPQIPLTHSA-N 1 3 312.498 2.671 20 0 DFADHO COC[C@H](CC[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1)OC ZINC000658083768 430804516 /nfs/dbraw/zinc/80/45/16/430804516.db2.gz BZUKFVDUWMKQCO-BPQIPLTHSA-N 1 3 312.498 2.671 20 0 DFADHO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1cccc(OCCN(C)C)c1 ZINC000658254451 430853685 /nfs/dbraw/zinc/85/36/85/430853685.db2.gz NSKGVFAALCNBQF-WBAXXEDZSA-N 1 3 318.461 2.581 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@]1(c2ccccc2)CC1(C)C ZINC000665299308 430889108 /nfs/dbraw/zinc/88/91/08/430889108.db2.gz KERLXGQLIWYUFZ-RMRDIRSESA-N 1 3 302.462 2.696 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@]1(c2ccccc2)CC1(C)C ZINC000665299308 430889113 /nfs/dbraw/zinc/88/91/13/430889113.db2.gz KERLXGQLIWYUFZ-RMRDIRSESA-N 1 3 302.462 2.696 20 0 DFADHO COC[C@H](CC(C)(C)C)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000651719629 430858424 /nfs/dbraw/zinc/85/84/24/430858424.db2.gz ZSHFLBADLLWJBA-RDJZCZTQSA-N 1 3 312.498 2.528 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000665235511 430864485 /nfs/dbraw/zinc/86/44/85/430864485.db2.gz WSDPRHOQUIQICN-IJEWVQPXSA-N 1 3 307.869 2.754 20 0 DFADHO Cc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000665245236 430866017 /nfs/dbraw/zinc/86/60/17/430866017.db2.gz CILPUGDWXKJZLD-GUDVDZBRSA-N 1 3 302.462 2.593 20 0 DFADHO Cc1nn(-c2cccc(C)c2)cc1CNCC1=CC[N@H+](C)CC1 ZINC000651748171 430868036 /nfs/dbraw/zinc/86/80/36/430868036.db2.gz AQOPMVZVJABYRR-UHFFFAOYSA-N 1 3 310.445 2.841 20 0 DFADHO Cc1nn(-c2cccc(C)c2)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000651748171 430868040 /nfs/dbraw/zinc/86/80/40/430868040.db2.gz AQOPMVZVJABYRR-UHFFFAOYSA-N 1 3 310.445 2.841 20 0 DFADHO COc1ccc(-c2cc(CN[C@H](C)CCCC[NH3+])on2)cc1 ZINC000665262225 430875619 /nfs/dbraw/zinc/87/56/19/430875619.db2.gz WLIOJKMQQPPMKH-CYBMUJFWSA-N 1 3 303.406 2.957 20 0 DFADHO CC(C)(C)[NH+]1CCC(NCC2(O)CCC(F)(F)CC2)CC1 ZINC000658324050 430876829 /nfs/dbraw/zinc/87/68/29/430876829.db2.gz YVJFGXQNXGZQAY-UHFFFAOYSA-N 1 3 304.425 2.779 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000658337945 430878681 /nfs/dbraw/zinc/87/86/81/430878681.db2.gz BLTOVRHKLUTGGU-RSRPTUBKSA-N 1 3 302.462 2.613 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000658337945 430878686 /nfs/dbraw/zinc/87/86/86/430878686.db2.gz BLTOVRHKLUTGGU-RSRPTUBKSA-N 1 3 302.462 2.613 20 0 DFADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1cccc(N2CCOCC2)c1 ZINC000665281198 430881778 /nfs/dbraw/zinc/88/17/78/430881778.db2.gz WWICKKXWQFWLAB-CRAIPNDOSA-N 1 3 305.466 2.547 20 0 DFADHO Fc1ccc(OC(F)F)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000665283858 430885043 /nfs/dbraw/zinc/88/50/43/430885043.db2.gz WJLLYKLEGVWEKL-COPLHBTASA-N 1 3 314.351 2.905 20 0 DFADHO CC[N@H+](CCCNCC1(OC)CCOCC1)C1CCCCC1 ZINC000651910184 430912028 /nfs/dbraw/zinc/91/20/28/430912028.db2.gz KDUOEOHNLNKLPB-UHFFFAOYSA-N 1 3 312.498 2.816 20 0 DFADHO CC[N@@H+](CCCNCC1(OC)CCOCC1)C1CCCCC1 ZINC000651910184 430912032 /nfs/dbraw/zinc/91/20/32/430912032.db2.gz KDUOEOHNLNKLPB-UHFFFAOYSA-N 1 3 312.498 2.816 20 0 DFADHO COC1(CC[NH2+]Cc2ccc(OCCN(C)C)cc2)CCC1 ZINC000645187535 430930401 /nfs/dbraw/zinc/93/04/01/430930401.db2.gz WHRQULDQNRVILW-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO OC[C@H](CCF)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000652020148 430938304 /nfs/dbraw/zinc/93/83/04/430938304.db2.gz MJNZOLLHVRDHGX-FCGDIQPGSA-N 1 3 320.452 2.597 20 0 DFADHO OC[C@H](CCF)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000652020148 430938305 /nfs/dbraw/zinc/93/83/05/430938305.db2.gz MJNZOLLHVRDHGX-FCGDIQPGSA-N 1 3 320.452 2.597 20 0 DFADHO OC[C@H](CCF)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000652020148 430938311 /nfs/dbraw/zinc/93/83/11/430938311.db2.gz MJNZOLLHVRDHGX-FCGDIQPGSA-N 1 3 320.452 2.597 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC[C@]3(O)CCCOC3)CC2)C1 ZINC000652045555 430943358 /nfs/dbraw/zinc/94/33/58/430943358.db2.gz BDBLQBIUEYGERS-NZSAHSFTSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@]3(O)CCCOC3)CC2)C1 ZINC000652045555 430943363 /nfs/dbraw/zinc/94/33/63/430943363.db2.gz BDBLQBIUEYGERS-NZSAHSFTSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC[C@@]3(O)CCCOC3)CC2)C1 ZINC000652045554 430943974 /nfs/dbraw/zinc/94/39/74/430943974.db2.gz BDBLQBIUEYGERS-NEWSRXKRSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@@]3(O)CCCOC3)CC2)C1 ZINC000652045554 430943979 /nfs/dbraw/zinc/94/39/79/430943979.db2.gz BDBLQBIUEYGERS-NEWSRXKRSA-N 1 3 324.509 2.551 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659024274 430944722 /nfs/dbraw/zinc/94/47/22/430944722.db2.gz ZGKXWOTXQAFURB-CQSZACIVSA-N 1 3 318.465 2.696 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659024274 430944728 /nfs/dbraw/zinc/94/47/28/430944728.db2.gz ZGKXWOTXQAFURB-CQSZACIVSA-N 1 3 318.465 2.696 20 0 DFADHO Cc1cc(C)c(C[NH+]2CCC(N3CC[C@@H](O)C3)CC2)c(C)c1 ZINC000662157242 430984305 /nfs/dbraw/zinc/98/43/05/430984305.db2.gz OXZHJZFJDFKXDC-GOSISDBHSA-N 1 3 302.462 2.643 20 0 DFADHO O[C@H]1CCN(C2CC[NH+](CCc3ccc4ccccc4c3)CC2)C1 ZINC000662157819 430984817 /nfs/dbraw/zinc/98/48/17/430984817.db2.gz QQZNIOIVBRDWDX-NRFANRHFSA-N 1 3 324.468 2.913 20 0 DFADHO CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000645472840 431011827 /nfs/dbraw/zinc/01/18/27/431011827.db2.gz MBAFQJOFUPVCHZ-GDBMZVCRSA-N 1 3 305.466 2.559 20 0 DFADHO CC(C)c1cccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000662271490 431027199 /nfs/dbraw/zinc/02/71/99/431027199.db2.gz HSHPWCYJERMJIG-GOSISDBHSA-N 1 3 317.477 2.630 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCSc2ccc(F)cc2)CC1 ZINC000662273343 431030859 /nfs/dbraw/zinc/03/08/59/431030859.db2.gz MILLJYKXPUVGNQ-SJORKVTESA-N 1 3 324.465 2.746 20 0 DFADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NC1CCCCCC1 ZINC000662293650 431036271 /nfs/dbraw/zinc/03/62/71/431036271.db2.gz HFFCYKIADBDMDO-QGZVFWFLSA-N 1 3 321.509 2.537 20 0 DFADHO C[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCc2ccc(Cl)cc21 ZINC000662286599 431036343 /nfs/dbraw/zinc/03/63/43/431036343.db2.gz RLKIWLGKIOAYKN-CZUORRHYSA-N 1 3 320.864 2.823 20 0 DFADHO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)CNCC3)cn1 ZINC000662311552 431041675 /nfs/dbraw/zinc/04/16/75/431041675.db2.gz UKHNTQREGGDIQO-AZUAARDMSA-N 1 3 324.472 2.567 20 0 DFADHO C[C@@H]1CCCN(C(=O)C[C@H]2NCc3ccccc32)[C@@H]1CCC[NH3+] ZINC000659375852 431043889 /nfs/dbraw/zinc/04/38/89/431043889.db2.gz RANOHEKQUVZBQP-ZTFGCOKTSA-N 1 3 315.461 2.587 20 0 DFADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315750 431043924 /nfs/dbraw/zinc/04/39/24/431043924.db2.gz SQOXCBANQUQIFJ-IXDOHACOSA-N 1 3 311.514 2.719 20 0 DFADHO C[C@@H]1CCCN(Cc2nc(N)c3ccccc3n2)[C@@H]1CCC[NH3+] ZINC000662314444 431044794 /nfs/dbraw/zinc/04/47/94/431044794.db2.gz DHBFFVOSGBDUTB-CZUORRHYSA-N 1 3 313.449 2.551 20 0 DFADHO CN1CCC(Nc2ccccc2NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649315241 431065562 /nfs/dbraw/zinc/06/55/62/431065562.db2.gz XEYKVWFAGLAMNT-UHFFFAOYSA-N 1 3 318.465 2.649 20 0 DFADHO CC[C@H](NC)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000662389207 431068877 /nfs/dbraw/zinc/06/88/77/431068877.db2.gz WDIUIOUEHUKNDG-PBHICJAKSA-N 1 3 303.450 2.855 20 0 DFADHO CC[C@H](NC)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000662389207 431068881 /nfs/dbraw/zinc/06/88/81/431068881.db2.gz WDIUIOUEHUKNDG-PBHICJAKSA-N 1 3 303.450 2.855 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCCN(CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662244446 431013177 /nfs/dbraw/zinc/01/31/77/431013177.db2.gz GXDDKYJCPVOBKY-AAEUAGOBSA-N 1 3 312.360 2.610 20 0 DFADHO CN(CCOc1ccccc1F)Cc1cccc2c1CC[NH2+]C2 ZINC000662249513 431013771 /nfs/dbraw/zinc/01/37/71/431013771.db2.gz VZWQHKUTCFSZDW-UHFFFAOYSA-N 1 3 314.404 2.982 20 0 DFADHO O=C(C[C@@H]1NCc2ccccc21)NCC[NH2+]C1CCCCCC1 ZINC000659292280 431013956 /nfs/dbraw/zinc/01/39/56/431013956.db2.gz AETSGEGUFLRYLI-SFHVURJKSA-N 1 3 315.461 2.650 20 0 DFADHO O=C(C[C@@H]1NCc2ccccc21)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000659298303 431015724 /nfs/dbraw/zinc/01/57/24/431015724.db2.gz ZBKHARQYHMPGSW-SFHVURJKSA-N 1 3 307.397 2.505 20 0 DFADHO c1ccc(C[C@@H]2CCCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662256157 431016490 /nfs/dbraw/zinc/01/64/90/431016490.db2.gz HJUHFLUKPSLOMF-ROUUACIJSA-N 1 3 300.446 2.605 20 0 DFADHO c1ccc(C[C@@H]2CCCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662256157 431016495 /nfs/dbraw/zinc/01/64/95/431016495.db2.gz HJUHFLUKPSLOMF-ROUUACIJSA-N 1 3 300.446 2.605 20 0 DFADHO C[N@H+](CCCOc1ccc(Cl)cc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662254000 431016852 /nfs/dbraw/zinc/01/68/52/431016852.db2.gz YCLYAIVDCHMBEN-INIZCTEOSA-N 1 3 324.852 2.562 20 0 DFADHO C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662254000 431016858 /nfs/dbraw/zinc/01/68/58/431016858.db2.gz YCLYAIVDCHMBEN-INIZCTEOSA-N 1 3 324.852 2.562 20 0 DFADHO Fc1ccc([C@H]2CCCCN2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257077 431018269 /nfs/dbraw/zinc/01/82/69/431018269.db2.gz MRBNDYYPSLQNNR-DLBZAZTESA-N 1 3 304.409 2.874 20 0 DFADHO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662256599 431018440 /nfs/dbraw/zinc/01/84/40/431018440.db2.gz WSQBBNGYUKYCSR-XYPHTWIQSA-N 1 3 304.409 2.730 20 0 DFADHO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662256599 431018445 /nfs/dbraw/zinc/01/84/45/431018445.db2.gz WSQBBNGYUKYCSR-XYPHTWIQSA-N 1 3 304.409 2.730 20 0 DFADHO C[C@]1(CCc2ccccc2)CC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662257688 431018745 /nfs/dbraw/zinc/01/87/45/431018745.db2.gz RMGFDLPMXOZMES-MOPGFXCFSA-N 1 3 314.473 2.852 20 0 DFADHO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662257688 431018750 /nfs/dbraw/zinc/01/87/50/431018750.db2.gz RMGFDLPMXOZMES-MOPGFXCFSA-N 1 3 314.473 2.852 20 0 DFADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000662401658 431074415 /nfs/dbraw/zinc/07/44/15/431074415.db2.gz ZBVWTPGQXXRHNY-ROUUACIJSA-N 1 3 317.477 2.574 20 0 DFADHO CC(C)C[N@H+](C)CCCNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000652523576 431080590 /nfs/dbraw/zinc/08/05/90/431080590.db2.gz UUNKCFZDTXXNQI-SFHVURJKSA-N 1 3 319.493 2.774 20 0 DFADHO CC(C)C[N@@H+](C)CCCNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000652523576 431080595 /nfs/dbraw/zinc/08/05/95/431080595.db2.gz UUNKCFZDTXXNQI-SFHVURJKSA-N 1 3 319.493 2.774 20 0 DFADHO CC(C)C[C@@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000649377962 431082255 /nfs/dbraw/zinc/08/22/55/431082255.db2.gz GYZOALGXEDMZMG-SJLPKXTDSA-N 1 3 323.525 2.863 20 0 DFADHO CC(C)C[C@@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000649377962 431082262 /nfs/dbraw/zinc/08/22/62/431082262.db2.gz GYZOALGXEDMZMG-SJLPKXTDSA-N 1 3 323.525 2.863 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655689054 431083806 /nfs/dbraw/zinc/08/38/06/431083806.db2.gz UELAQYOAZCFMMC-IBGZPJMESA-N 1 3 315.505 2.908 20 0 DFADHO Cc1ccc2nc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000649417796 431096931 /nfs/dbraw/zinc/09/69/31/431096931.db2.gz HFRDUCQBQDCMLA-DLBZAZTESA-N 1 3 312.461 2.854 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)c1cccc2c1CNC2)CC(C)C ZINC000662493723 431097449 /nfs/dbraw/zinc/09/74/49/431097449.db2.gz QASVHJBLSFVAGM-MRXNPFEDSA-N 1 3 317.477 2.776 20 0 DFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc2c1CNC2 ZINC000662504160 431101498 /nfs/dbraw/zinc/10/14/98/431101498.db2.gz AQJMWWIETRHXAP-UHFFFAOYSA-N 1 3 317.477 2.730 20 0 DFADHO c1ccc(C[N@@H+]2C[C@H]3CN(CCC[C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000645895805 431104728 /nfs/dbraw/zinc/10/47/28/431104728.db2.gz NGSUYTMTXQVXOO-SLFFLAALSA-N 1 3 314.473 2.867 20 0 DFADHO c1ccc(C[N@H+]2C[C@H]3CN(CCC[C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000645895805 431104729 /nfs/dbraw/zinc/10/47/29/431104729.db2.gz NGSUYTMTXQVXOO-SLFFLAALSA-N 1 3 314.473 2.867 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc2c1CNC2 ZINC000662523249 431105431 /nfs/dbraw/zinc/10/54/31/431105431.db2.gz KUWXUJWYZWWAHL-CQSZACIVSA-N 1 3 303.450 2.530 20 0 DFADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H](N)c1ccccc1 ZINC000662594084 431128600 /nfs/dbraw/zinc/12/86/00/431128600.db2.gz RJIMPXPNYQARDD-ZOBUZTSGSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H](N)c1ccccc1 ZINC000662594084 431128606 /nfs/dbraw/zinc/12/86/06/431128606.db2.gz RJIMPXPNYQARDD-ZOBUZTSGSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@@H]1CC[C@H](NCc2ccncc2OCCC[NH+](C)C)CS1 ZINC000655767909 431129159 /nfs/dbraw/zinc/12/91/59/431129159.db2.gz MXIGLMSWJSECQM-ZBFHGGJFSA-N 1 3 323.506 2.786 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000662594452 431127573 /nfs/dbraw/zinc/12/75/73/431127573.db2.gz SSXIUSDRKVLYDU-HOTGVXAUSA-N 1 3 309.498 2.521 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000662594452 431127581 /nfs/dbraw/zinc/12/75/81/431127581.db2.gz SSXIUSDRKVLYDU-HOTGVXAUSA-N 1 3 309.498 2.521 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662596924 431128206 /nfs/dbraw/zinc/12/82/06/431128206.db2.gz UEOKULBLAHQPEB-MSOLQXFVSA-N 1 3 321.509 2.522 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000662683346 431161298 /nfs/dbraw/zinc/16/12/98/431161298.db2.gz MXDZTTBWLORQOS-UHFFFAOYSA-N 1 3 321.509 2.619 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000662683346 431161301 /nfs/dbraw/zinc/16/13/01/431161301.db2.gz MXDZTTBWLORQOS-UHFFFAOYSA-N 1 3 321.509 2.619 20 0 DFADHO CC(=O)c1nc(CCN2CCC(C[N@@H+](C)C(C)C)CC2)[nH]c1C ZINC000659876511 431165363 /nfs/dbraw/zinc/16/53/63/431165363.db2.gz IRJIHDDZWKAIFH-UHFFFAOYSA-N 1 3 320.481 2.515 20 0 DFADHO CC(=O)c1nc(CCN2CCC(C[N@H+](C)C(C)C)CC2)[nH]c1C ZINC000659876511 431165367 /nfs/dbraw/zinc/16/53/67/431165367.db2.gz IRJIHDDZWKAIFH-UHFFFAOYSA-N 1 3 320.481 2.515 20 0 DFADHO CC(=O)c1[nH]c(CCN2CCC(C[N@@H+](C)C(C)C)CC2)nc1C ZINC000659876511 431165371 /nfs/dbraw/zinc/16/53/71/431165371.db2.gz IRJIHDDZWKAIFH-UHFFFAOYSA-N 1 3 320.481 2.515 20 0 DFADHO CC(=O)c1[nH]c(CCN2CCC(C[N@H+](C)C(C)C)CC2)nc1C ZINC000659876511 431165379 /nfs/dbraw/zinc/16/53/79/431165379.db2.gz IRJIHDDZWKAIFH-UHFFFAOYSA-N 1 3 320.481 2.515 20 0 DFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000662692863 431166279 /nfs/dbraw/zinc/16/62/79/431166279.db2.gz GZJLAMVBXUJMFG-YESZJQIVSA-N 1 3 309.498 2.521 20 0 DFADHO CN1CCCN(CCC[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000666259029 431168001 /nfs/dbraw/zinc/16/80/01/431168001.db2.gz JQXWFILMDPFHRT-UHFFFAOYSA-N 1 3 301.478 2.681 20 0 DFADHO CCCN1CC[C@@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662704283 431168922 /nfs/dbraw/zinc/16/89/22/431168922.db2.gz YHGYSKCIJPHBBF-DLBZAZTESA-N 1 3 309.498 2.665 20 0 DFADHO COc1ccc2nc(CNC[C@H]3C[C@@H]([NH+](C)C)C3)sc2c1 ZINC000655826957 431171987 /nfs/dbraw/zinc/17/19/87/431171987.db2.gz JQIBEUPVSYKFPQ-TXEJJXNPSA-N 1 3 305.447 2.735 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000649585512 431176674 /nfs/dbraw/zinc/17/66/74/431176674.db2.gz YMLGIIJMSALUNF-BWPNAZKDSA-N 1 3 315.505 2.827 20 0 DFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662730130 431178942 /nfs/dbraw/zinc/17/89/42/431178942.db2.gz SCBPPFVHOSRHQV-OAHLLOKOSA-N 1 3 321.509 2.665 20 0 DFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662730130 431178949 /nfs/dbraw/zinc/17/89/49/431178949.db2.gz SCBPPFVHOSRHQV-OAHLLOKOSA-N 1 3 321.509 2.665 20 0 DFADHO CN1CCC[C@@H]1C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000649610032 431196601 /nfs/dbraw/zinc/19/66/01/431196601.db2.gz GECLODSEQYPMSA-UXHICEINSA-N 1 3 313.489 2.679 20 0 DFADHO CN1CCC[C@@H]1C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000649610032 431196605 /nfs/dbraw/zinc/19/66/05/431196605.db2.gz GECLODSEQYPMSA-UXHICEINSA-N 1 3 313.489 2.679 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668150 431155714 /nfs/dbraw/zinc/15/57/14/431155714.db2.gz IKJINZRZKPCNFB-FUHWJXTLSA-N 1 3 321.509 2.807 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662668150 431155719 /nfs/dbraw/zinc/15/57/19/431155719.db2.gz IKJINZRZKPCNFB-FUHWJXTLSA-N 1 3 321.509 2.807 20 0 DFADHO COC[C@H](C)NCc1cc(Cl)cc(C[NH2+][C@@H](C)COC)c1 ZINC000649555299 431157004 /nfs/dbraw/zinc/15/70/04/431157004.db2.gz KHDWXBAXQKPTPY-STQMWFEESA-N 1 3 314.857 2.589 20 0 DFADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ncc(Br)s1 ZINC000655805413 431158435 /nfs/dbraw/zinc/15/84/35/431158435.db2.gz NKXXYBSWNATYJC-BBBLOLIVSA-N 1 3 318.284 2.896 20 0 DFADHO CC[N@H+](CCCNC(=O)C1(NC2CC2)CCC1)C1CCCCC1 ZINC000662829068 431208142 /nfs/dbraw/zinc/20/81/42/431208142.db2.gz PRTLRJUGKVCOOO-UHFFFAOYSA-N 1 3 321.509 2.822 20 0 DFADHO CC[N@@H+](CCCNC(=O)C1(NC2CC2)CCC1)C1CCCCC1 ZINC000662829068 431208151 /nfs/dbraw/zinc/20/81/51/431208151.db2.gz PRTLRJUGKVCOOO-UHFFFAOYSA-N 1 3 321.509 2.822 20 0 DFADHO CN(CCN1CCCCC1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000652992007 431218957 /nfs/dbraw/zinc/21/89/57/431218957.db2.gz ZWZNJFSRLAPLLE-GOSISDBHSA-N 1 3 317.477 2.624 20 0 DFADHO Cc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(Cl)c1 ZINC000655941004 431226796 /nfs/dbraw/zinc/22/67/96/431226796.db2.gz KGEVXUVZNMNYNH-SJORKVTESA-N 1 3 308.853 2.977 20 0 DFADHO CCOC(=O)C1(C)CCC([NH2+]C[C@H](C)CN2CCCC2)CC1 ZINC000354126779 279525132 /nfs/dbraw/zinc/52/51/32/279525132.db2.gz YNXFKRXXJTXAJH-HJOIGYKYSA-N 1 3 310.482 2.820 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646375396 431286465 /nfs/dbraw/zinc/28/64/65/431286465.db2.gz FGTAEYHHNOUCRP-FGTMMUONSA-N 1 3 321.509 2.522 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000656196030 431302256 /nfs/dbraw/zinc/30/22/56/431302256.db2.gz UHTKTSFOUAEFSB-MCIONIFRSA-N 1 3 309.404 2.651 20 0 DFADHO COc1ccc(C2(C[NH2+][C@@H]3CCC[C@H](N)C3)CCOCC2)cc1 ZINC000656197494 431304262 /nfs/dbraw/zinc/30/42/62/431304262.db2.gz NAJDLIWOZVONGE-DLBZAZTESA-N 1 3 318.461 2.603 20 0 DFADHO CC[N@H+](CCCNC(=O)[C@H]1C[C@@H](C)CCN1)C1CCCCC1 ZINC000653200970 431305838 /nfs/dbraw/zinc/30/58/38/431305838.db2.gz VVSRCQKZZUEXHA-DOTOQJQBSA-N 1 3 309.498 2.535 20 0 DFADHO CC[N@@H+](CCCNC(=O)[C@H]1C[C@@H](C)CCN1)C1CCCCC1 ZINC000653200970 431305844 /nfs/dbraw/zinc/30/58/44/431305844.db2.gz VVSRCQKZZUEXHA-DOTOQJQBSA-N 1 3 309.498 2.535 20 0 DFADHO CCC(C)(C)[NH+]1CCN([C@H](C)c2ccc(CN)nc2C)CC1 ZINC000656200770 431306597 /nfs/dbraw/zinc/30/65/97/431306597.db2.gz QEDCBYQOLDONPT-OAHLLOKOSA-N 1 3 304.482 2.716 20 0 DFADHO COc1ccccc1C[C@H](NC[C@@H](O)C[N@H+](C)C(C)C)C(C)C ZINC000660257753 431344477 /nfs/dbraw/zinc/34/44/77/431344477.db2.gz WSSSPTZPBPRXCC-MSOLQXFVSA-N 1 3 322.493 2.553 20 0 DFADHO COc1ccccc1C[C@H](NC[C@@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000660257753 431344485 /nfs/dbraw/zinc/34/44/85/431344485.db2.gz WSSSPTZPBPRXCC-MSOLQXFVSA-N 1 3 322.493 2.553 20 0 DFADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000666755375 431346814 /nfs/dbraw/zinc/34/68/14/431346814.db2.gz UJPQDLUHYJTMMM-AWEZNQCLSA-N 1 3 323.440 2.888 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H]3CCCN4CCCC[C@H]34)CC2)ccn1 ZINC000656278450 431353207 /nfs/dbraw/zinc/35/32/07/431353207.db2.gz REKGKERIFOQDIT-RTBURBONSA-N 1 3 314.477 2.657 20 0 DFADHO CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H]1CCCCO1 ZINC000656276684 431353553 /nfs/dbraw/zinc/35/35/53/431353553.db2.gz IBRSQCAUQVMWDX-ROUUACIJSA-N 1 3 303.450 2.988 20 0 DFADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416395 431418105 /nfs/dbraw/zinc/41/81/05/431418105.db2.gz QVMNNFDVXQJOLZ-IRXDYDNUSA-N 1 3 323.525 2.687 20 0 DFADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416395 431418110 /nfs/dbraw/zinc/41/81/10/431418110.db2.gz QVMNNFDVXQJOLZ-IRXDYDNUSA-N 1 3 323.525 2.687 20 0 DFADHO C[NH+](C)[C@H]1CCCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416395 431418115 /nfs/dbraw/zinc/41/81/15/431418115.db2.gz QVMNNFDVXQJOLZ-IRXDYDNUSA-N 1 3 323.525 2.687 20 0 DFADHO Cn1cc(CN[C@@H]2CC23CC[NH2+]CC3)c(C2CCCCC2)n1 ZINC000666954021 431422456 /nfs/dbraw/zinc/42/24/56/431422456.db2.gz OCSQWMNGLZHONU-MRXNPFEDSA-N 1 3 302.466 2.700 20 0 DFADHO c1ccc(N2CC[C@@H](NC[C@@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663347156 431378021 /nfs/dbraw/zinc/37/80/21/431378021.db2.gz ZWHHUWFBZKZTHO-RBUKOAKNSA-N 1 3 313.489 2.977 20 0 DFADHO c1ccc(N2CC[C@@H](NC[C@@H]3CCC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000663347156 431378025 /nfs/dbraw/zinc/37/80/25/431378025.db2.gz ZWHHUWFBZKZTHO-RBUKOAKNSA-N 1 3 313.489 2.977 20 0 DFADHO c1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000663347156 431378029 /nfs/dbraw/zinc/37/80/29/431378029.db2.gz ZWHHUWFBZKZTHO-RBUKOAKNSA-N 1 3 313.489 2.977 20 0 DFADHO C[C@H](NCCC(=O)N(C)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000663360032 431384219 /nfs/dbraw/zinc/38/42/19/431384219.db2.gz SIBWTFRFFWMAKK-HNNXBMFYSA-N 1 3 305.466 2.605 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCCNCC1 ZINC000666858149 431386789 /nfs/dbraw/zinc/38/67/89/431386789.db2.gz ZZVUCEFEXGNPGF-HZPDHXFCSA-N 1 3 306.450 2.757 20 0 DFADHO CC(C)(C)[C@@H](N)c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455339 431391698 /nfs/dbraw/zinc/39/16/98/431391698.db2.gz DKFKHKZQFAHVOR-RDJZCZTQSA-N 1 3 313.449 2.771 20 0 DFADHO CC(C)(C)[C@@H](N)c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455339 431391705 /nfs/dbraw/zinc/39/17/05/431391705.db2.gz DKFKHKZQFAHVOR-RDJZCZTQSA-N 1 3 313.449 2.771 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH+]1CCCCC1)N1CCCCC1 ZINC000354571804 279789528 /nfs/dbraw/zinc/78/95/28/279789528.db2.gz GDWUZSWKNJZURP-ROUUACIJSA-N 1 3 323.525 2.735 20 0 DFADHO FC(F)(F)CCN1CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000666995203 431437661 /nfs/dbraw/zinc/43/76/61/431437661.db2.gz GFHDGBZEUZDXRS-CQSZACIVSA-N 1 3 319.415 2.668 20 0 DFADHO COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)cc1O ZINC000666993779 431437712 /nfs/dbraw/zinc/43/77/12/431437712.db2.gz IXXHSTRRXSKJPM-ZBFHGGJFSA-N 1 3 318.461 2.986 20 0 DFADHO COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCNC3(CCC3)C1)C2 ZINC000666993756 431438495 /nfs/dbraw/zinc/43/84/95/431438495.db2.gz HGPQFLGTPAJTCJ-JKSUJKDBSA-N 1 3 300.446 2.817 20 0 DFADHO COc1cccc2c1CC[C@H](N[C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC000666993756 431438503 /nfs/dbraw/zinc/43/85/03/431438503.db2.gz HGPQFLGTPAJTCJ-JKSUJKDBSA-N 1 3 300.446 2.817 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)cc1OC ZINC000666995240 431438801 /nfs/dbraw/zinc/43/88/01/431438801.db2.gz HMHWJCLTWGJOLF-GDBMZVCRSA-N 1 3 318.461 2.899 20 0 DFADHO COc1ccc(C[C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666995240 431438806 /nfs/dbraw/zinc/43/88/06/431438806.db2.gz HMHWJCLTWGJOLF-GDBMZVCRSA-N 1 3 318.461 2.899 20 0 DFADHO C[C@H](NCc1cnccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000663475377 431439496 /nfs/dbraw/zinc/43/94/96/431439496.db2.gz WQRDGKSZUPZVCS-NSHDSACASA-N 1 3 301.356 2.920 20 0 DFADHO Clc1ccccc1CN1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000663497062 431442202 /nfs/dbraw/zinc/44/22/02/431442202.db2.gz ASGXKAFOSXQUBW-UHFFFAOYSA-N 1 3 319.880 2.646 20 0 DFADHO Clc1ccccc1CN1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000663497062 431442211 /nfs/dbraw/zinc/44/22/11/431442211.db2.gz ASGXKAFOSXQUBW-UHFFFAOYSA-N 1 3 319.880 2.646 20 0 DFADHO CC(C)[C@H]([NH3+])CCNCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000663498101 431445744 /nfs/dbraw/zinc/44/57/44/431445744.db2.gz LGUOWJYPXMQGPN-QZTJIDSGSA-N 1 3 306.450 2.707 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@@H](N)C(C)C ZINC000663504283 431449270 /nfs/dbraw/zinc/44/92/70/431449270.db2.gz YGEZKFVHMWJLFL-HZPDHXFCSA-N 1 3 308.466 2.988 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)NCC[C@@H]([NH3+])C(C)C ZINC000663504283 431449276 /nfs/dbraw/zinc/44/92/76/431449276.db2.gz YGEZKFVHMWJLFL-HZPDHXFCSA-N 1 3 308.466 2.988 20 0 DFADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C12CCC2 ZINC000663468552 431434296 /nfs/dbraw/zinc/43/42/96/431434296.db2.gz MBYYMOXIYHDUCV-BZZMCLGOSA-N 1 3 306.494 2.902 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCNC3(CCC3)C1)CC2 ZINC000666995334 431436898 /nfs/dbraw/zinc/43/68/98/431436898.db2.gz KHVIHVIVRVXKEP-SJORKVTESA-N 1 3 300.446 2.817 20 0 DFADHO COc1ccc2c(c1)C[C@H](N[C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000666995334 431436901 /nfs/dbraw/zinc/43/69/01/431436901.db2.gz KHVIHVIVRVXKEP-SJORKVTESA-N 1 3 300.446 2.817 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995388 431437093 /nfs/dbraw/zinc/43/70/93/431437093.db2.gz MRKKDIDIJBFNRC-BHIYHBOVSA-N 1 3 313.489 2.771 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(c3ccnc4ccccc43)C2)C1 ZINC000650298803 431517793 /nfs/dbraw/zinc/51/77/93/431517793.db2.gz ZQDRPOVFGIFQIJ-SPYBWZPUSA-N 1 3 311.429 2.958 20 0 DFADHO C[C@@H]1C[NH2+]C[C@@H](NC[C@@H]2CCN(c3ccccc3Cl)C2)C1 ZINC000656787684 431522012 /nfs/dbraw/zinc/52/20/12/431522012.db2.gz RIANWOFARRJVRO-KKUMJFAQSA-N 1 3 307.869 2.754 20 0 DFADHO c1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c2c(c1)OCCO2 ZINC000656786489 431522311 /nfs/dbraw/zinc/52/23/11/431522311.db2.gz TUKFYSSHEQFTCN-INIZCTEOSA-N 1 3 316.445 2.669 20 0 DFADHO COc1cccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1OC ZINC000656786668 431523129 /nfs/dbraw/zinc/52/31/29/431523129.db2.gz WCPQYULVTYCHPT-INIZCTEOSA-N 1 3 318.461 2.915 20 0 DFADHO C[C@H](NC[C@H]1CCN(c2ccccc2Cl)C1)[C@@H]1CC[NH2+]C1 ZINC000656787594 431523482 /nfs/dbraw/zinc/52/34/82/431523482.db2.gz OJZZRGBSALXRME-RRFJBIMHSA-N 1 3 307.869 2.754 20 0 DFADHO c1cc([C@@H]2CNCCO2)ccc1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000656793235 431525915 /nfs/dbraw/zinc/52/59/15/431525915.db2.gz RKPLZODTQYPELF-MKXGPGLRSA-N 1 3 315.461 2.680 20 0 DFADHO Cc1ccc(O)c(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000647248926 431528651 /nfs/dbraw/zinc/52/86/51/431528651.db2.gz PIXLWKJNRQYEJG-SJORKVTESA-N 1 3 311.429 2.531 20 0 DFADHO Cc1ccc(O)c(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000647248926 431528658 /nfs/dbraw/zinc/52/86/58/431528658.db2.gz PIXLWKJNRQYEJG-SJORKVTESA-N 1 3 311.429 2.531 20 0 DFADHO CC(C)[C@H](C(=O)N(C)C1CC[NH+](C(C)C)CC1)N1CCCCC1 ZINC000354555859 280135486 /nfs/dbraw/zinc/13/54/86/280135486.db2.gz BKAIDNWELSSITM-GOSISDBHSA-N 1 3 323.525 2.828 20 0 DFADHO CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)N(C)C ZINC000106432340 280175918 /nfs/dbraw/zinc/17/59/18/280175918.db2.gz UOKQRWIQHCDNOQ-GOSISDBHSA-N 1 3 319.493 2.729 20 0 DFADHO CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)N(C)C ZINC000106432340 280175921 /nfs/dbraw/zinc/17/59/21/280175921.db2.gz UOKQRWIQHCDNOQ-GOSISDBHSA-N 1 3 319.493 2.729 20 0 DFADHO COc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1F ZINC000650706416 431655090 /nfs/dbraw/zinc/65/50/90/431655090.db2.gz JXZFKOHXNWXECM-DAYGRLMNSA-N 1 3 322.424 2.553 20 0 DFADHO c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]CCCN1CCCCC1 ZINC000657295852 431655645 /nfs/dbraw/zinc/65/56/45/431655645.db2.gz LETGYWNTXSUXTC-LJQANCHMSA-N 1 3 318.461 2.820 20 0 DFADHO CCOc1cccc(CNCCC2(C[NH3+])CC2)c1OC(F)F ZINC000650712006 431659154 /nfs/dbraw/zinc/65/91/54/431659154.db2.gz MKYGXUKRDGBZJJ-UHFFFAOYSA-N 1 3 314.376 2.905 20 0 DFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000647515490 431611433 /nfs/dbraw/zinc/61/14/33/431611433.db2.gz HRPOLKDJJOLTGM-PKOBYXMFSA-N 1 3 301.478 2.582 20 0 DFADHO FC(F)(F)c1csc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647550474 431628883 /nfs/dbraw/zinc/62/88/83/431628883.db2.gz RUYSCPFSUBBSLH-IVZWLZJFSA-N 1 3 305.369 2.640 20 0 DFADHO Cc1ccc(-c2nn(C)cc2CNCc2ccc(C[NH3+])cc2)o1 ZINC000647553371 431630708 /nfs/dbraw/zinc/63/07/08/431630708.db2.gz XLYFBVJPEPSQPD-UHFFFAOYSA-N 1 3 310.401 2.737 20 0 DFADHO COc1ccsc1CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723319 431665249 /nfs/dbraw/zinc/66/52/49/431665249.db2.gz LHDPWSLECZTEEZ-GZBFAFLISA-N 1 3 310.463 2.618 20 0 DFADHO Cc1ccc2cc(C[NH2+]CCCCN3CCN(C)CC3)[nH]c2c1 ZINC000657307252 431665906 /nfs/dbraw/zinc/66/59/06/431665906.db2.gz DSADOEZPGUEAQX-UHFFFAOYSA-N 1 3 314.477 2.594 20 0 DFADHO CCc1ncc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723337 431666399 /nfs/dbraw/zinc/66/63/99/431666399.db2.gz LUBUNKUCPJYZAG-CFVMTHIKSA-N 1 3 309.479 2.566 20 0 DFADHO COC[C@H](NCCC1(C[NH3+])CC1)c1cccc(Cl)c1F ZINC000650747818 431677374 /nfs/dbraw/zinc/67/73/74/431677374.db2.gz IDWAMISMGWXRQT-ZDUSSCGKSA-N 1 3 300.805 2.885 20 0 DFADHO c1cc([C@@H]2C[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CCO2)ccn1 ZINC000650752349 431679830 /nfs/dbraw/zinc/67/98/30/431679830.db2.gz PKLRRSRWVFOABV-NNIGNNQHSA-N 1 3 315.461 2.812 20 0 DFADHO c1csc(-c2nc(CN[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)co2)c1 ZINC000647784299 431683966 /nfs/dbraw/zinc/68/39/66/431683966.db2.gz PYOMEVIVRCKCKK-JHJVBQTASA-N 1 3 303.431 2.881 20 0 DFADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000657337468 431683924 /nfs/dbraw/zinc/68/39/24/431683924.db2.gz VSVROEZJAXHPTB-WMZOPIPTSA-N 1 3 320.477 2.922 20 0 DFADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nccn1-c1ccccc1 ZINC000647796782 431691413 /nfs/dbraw/zinc/69/14/13/431691413.db2.gz NSMIJWSJWGUZAX-MWDXBVQZSA-N 1 3 310.445 2.911 20 0 DFADHO CN(CCC[NH3+])CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000647849167 431706245 /nfs/dbraw/zinc/70/62/45/431706245.db2.gz JWNGQQHRDOJVTJ-UHFFFAOYSA-N 1 3 311.429 2.963 20 0 DFADHO CCC(CC)[C@H](CNCc1ccnn1-c1ccncc1)[NH+](C)C ZINC000657303745 431662355 /nfs/dbraw/zinc/66/23/55/431662355.db2.gz PXQGCHYPYYKYQI-SFHVURJKSA-N 1 3 315.465 2.723 20 0 DFADHO CCC(CC)[C@H](C[NH2+]Cc1ccnn1-c1ccncc1)N(C)C ZINC000657303745 431662360 /nfs/dbraw/zinc/66/23/60/431662360.db2.gz PXQGCHYPYYKYQI-SFHVURJKSA-N 1 3 315.465 2.723 20 0 DFADHO CCn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]CCCN(C)C(C)C ZINC000657304925 431662533 /nfs/dbraw/zinc/66/25/33/431662533.db2.gz KATJWKAIGAAWIQ-FUHWJXTLSA-N 1 3 322.497 2.691 20 0 DFADHO CC(C)CC[NH+]1CCC(CNCc2cnc3n2CCC3)CC1 ZINC000657391620 431724417 /nfs/dbraw/zinc/72/44/17/431724417.db2.gz VPPSFTDSCWBDEV-UHFFFAOYSA-N 1 3 304.482 2.677 20 0 DFADHO CC[C@H](C)[N@H+](CC)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000661103121 431731309 /nfs/dbraw/zinc/73/13/09/431731309.db2.gz DUENINGGLUCXQU-DOTOQJQBSA-N 1 3 305.466 2.526 20 0 DFADHO CC[C@H](C)[N@@H+](CC)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000661103121 431731313 /nfs/dbraw/zinc/73/13/13/431731313.db2.gz DUENINGGLUCXQU-DOTOQJQBSA-N 1 3 305.466 2.526 20 0 DFADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1C ZINC000664315002 431732970 /nfs/dbraw/zinc/73/29/70/431732970.db2.gz PWKIXFRXJNFZIW-INIZCTEOSA-N 1 3 320.481 2.697 20 0 DFADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1C ZINC000664315002 431732976 /nfs/dbraw/zinc/73/29/76/431732976.db2.gz PWKIXFRXJNFZIW-INIZCTEOSA-N 1 3 320.481 2.697 20 0 DFADHO C(c1noc2c1CCCC2)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977996 431762047 /nfs/dbraw/zinc/76/20/47/431762047.db2.gz KTOQTNBTLVAEPG-HUUCEWRRSA-N 1 3 303.450 2.765 20 0 DFADHO C[C@H](C(=O)NC1CCCCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976909 431762480 /nfs/dbraw/zinc/76/24/80/431762480.db2.gz VYDFFCFDQHXQQX-ZACQAIPSSA-N 1 3 321.509 2.535 20 0 DFADHO CCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000657458730 431763814 /nfs/dbraw/zinc/76/38/14/431763814.db2.gz OIBSUUWBDWRWMD-UHFFFAOYSA-N 1 3 319.493 2.509 20 0 DFADHO Cc1cc(C)cc(OCCN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000647983806 431764093 /nfs/dbraw/zinc/76/40/93/431764093.db2.gz MIJVUMCSBUXJLM-MOPGFXCFSA-N 1 3 318.461 2.510 20 0 DFADHO CC[C@@H](CN1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000648071579 431808177 /nfs/dbraw/zinc/80/81/77/431808177.db2.gz JKPVXWYKYUSMFP-KRWDZBQOSA-N 1 3 302.462 2.977 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1nccc2ccccc21 ZINC000657572746 431814350 /nfs/dbraw/zinc/81/43/50/431814350.db2.gz DKPRPSXSAZOVBD-INIZCTEOSA-N 1 3 314.477 2.596 20 0 DFADHO CSc1ccc(CN[C@@H](C)CN(C)CCC[NH+](C)C)s1 ZINC000657572776 431815462 /nfs/dbraw/zinc/81/54/62/431815462.db2.gz GAJIDYHCWJPMGD-ZDUSSCGKSA-N 1 3 315.552 2.832 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccsc1Cl ZINC000657573721 431815749 /nfs/dbraw/zinc/81/57/49/431815749.db2.gz RFAWOVNDLCNQSF-LBPRGKRZSA-N 1 3 303.903 2.763 20 0 DFADHO Cc1ccncc1CC[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000657588703 431818653 /nfs/dbraw/zinc/81/86/53/431818653.db2.gz VFODCQSPYKQIHS-UHFFFAOYSA-N 1 3 313.445 2.663 20 0 DFADHO Cc1cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000657595502 431820838 /nfs/dbraw/zinc/82/08/38/431820838.db2.gz IEENLUIGMGMOFV-SFHVURJKSA-N 1 3 316.470 2.913 20 0 DFADHO Cc1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000657595502 431820841 /nfs/dbraw/zinc/82/08/41/431820841.db2.gz IEENLUIGMGMOFV-SFHVURJKSA-N 1 3 316.470 2.913 20 0 DFADHO Cc1ccccc1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596817 431821872 /nfs/dbraw/zinc/82/18/72/431821872.db2.gz ZFKOKWVPEMSBPH-FQEVSTJZSA-N 1 3 310.441 2.851 20 0 DFADHO Cc1ccccc1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657596817 431821879 /nfs/dbraw/zinc/82/18/79/431821879.db2.gz ZFKOKWVPEMSBPH-FQEVSTJZSA-N 1 3 310.441 2.851 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCN(C)CC1)[C@H](C)C2 ZINC000180467992 281116907 /nfs/dbraw/zinc/11/69/07/281116907.db2.gz DXVBDXTYJKCFDY-YLJYHZDGSA-N 1 3 315.505 2.846 20 0 DFADHO Cc1[nH+]c2ccccc2c(N2CCN(C[C@H](C)O)[C@@H](C)C2)c1C ZINC000302088407 282073056 /nfs/dbraw/zinc/07/30/56/282073056.db2.gz OJOWKKMOZJQOSR-KBPBESRZSA-N 1 3 313.445 2.743 20 0 DFADHO CN(C)C[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)c1ccccc1 ZINC000185352381 289187751 /nfs/dbraw/zinc/18/77/51/289187751.db2.gz QJAIVVVCPCZGNM-QGZVFWFLSA-N 1 3 317.477 2.705 20 0 DFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccc(NC(N)=O)cc1 ZINC000367755644 290017358 /nfs/dbraw/zinc/01/73/58/290017358.db2.gz PYPDHMFROUQSLZ-DXEWXGHRSA-N 1 3 316.449 2.701 20 0 DFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccc(NC(N)=O)cc1 ZINC000367755644 290017361 /nfs/dbraw/zinc/01/73/61/290017361.db2.gz PYPDHMFROUQSLZ-DXEWXGHRSA-N 1 3 316.449 2.701 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1(N(C)C)CCC1 ZINC000275685225 297032551 /nfs/dbraw/zinc/03/25/51/297032551.db2.gz IQTQWEOXYQMIFF-IEBWSBKVSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2c(c1)CCC2 ZINC000154363958 295298390 /nfs/dbraw/zinc/29/83/90/295298390.db2.gz AFQILTZKVAEPTL-KRWDZBQOSA-N 1 3 315.505 2.854 20 0 DFADHO CC(C)CC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1CC1 ZINC000374701978 295474421 /nfs/dbraw/zinc/47/44/21/295474421.db2.gz MWGBLJRRLBNSKX-HKUYNNGSSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H]1C ZINC000397493313 295487875 /nfs/dbraw/zinc/48/78/75/295487875.db2.gz NBLYVDNRUPRSQS-RYRKJORJSA-N 1 3 302.462 2.648 20 0 DFADHO C[C@H](CC1CC1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397486494 295487903 /nfs/dbraw/zinc/48/79/03/295487903.db2.gz CKUWLJCXGTYOTR-MRXNPFEDSA-N 1 3 302.462 2.792 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000411484318 295542194 /nfs/dbraw/zinc/54/21/94/295542194.db2.gz DTCBQAXUQCAOJV-KBAYOESNSA-N 1 3 323.525 2.637 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000411516163 295543663 /nfs/dbraw/zinc/54/36/63/295543663.db2.gz JHNOQWDSPVOFFM-CVEARBPZSA-N 1 3 323.525 2.781 20 0 DFADHO CC(C)[C@](C)(NCc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411726511 295556178 /nfs/dbraw/zinc/55/61/78/295556178.db2.gz KWKJUTGDMGEOLO-IBGZPJMESA-N 1 3 317.477 2.662 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CC3(O)CCCC3)CC2)C[C@@H](C)O1 ZINC000438575946 297099792 /nfs/dbraw/zinc/09/97/92/297099792.db2.gz DNNSEVIRVJKWDV-IAGOWNOFSA-N 1 3 324.509 2.503 20 0 DFADHO Cc1ccccc1CCC[NH+]1CCC(N(C)C[C@H](C)O)CC1 ZINC000440328074 297149995 /nfs/dbraw/zinc/14/99/95/297149995.db2.gz RYIBBZZGUZSECF-KRWDZBQOSA-N 1 3 304.478 2.705 20 0 DFADHO c1nc(-c2ccncc2)sc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000440328715 297150194 /nfs/dbraw/zinc/15/01/94/297150194.db2.gz PNWMGOJZSLYWCA-CYBMUJFWSA-N 1 3 314.458 2.779 20 0 DFADHO CCc1ccc(CCN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000441262297 297177655 /nfs/dbraw/zinc/17/76/55/297177655.db2.gz VPVRWUWAHFEAEV-HSALFYBXSA-N 1 3 316.489 2.975 20 0 DFADHO CN1CCN(CC[NH2+]C/C=C\c2ccc(F)cc2F)CC1(C)C ZINC000441333367 297180024 /nfs/dbraw/zinc/18/00/24/297180024.db2.gz LUQAGINOVFFMKZ-PLNGDYQASA-N 1 3 323.431 2.594 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC000441349999 297180406 /nfs/dbraw/zinc/18/04/06/297180406.db2.gz HCULDVDWCIYKKO-UONOGXRCSA-N 1 3 321.431 2.723 20 0 DFADHO C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000442247259 297193226 /nfs/dbraw/zinc/19/32/26/297193226.db2.gz FJMCRIFYJQQYCT-HTWSVDAQSA-N 1 3 321.509 2.630 20 0 DFADHO CN(CCCOCCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442790579 297206132 /nfs/dbraw/zinc/20/61/32/297206132.db2.gz LVOIYNIZEBTFSY-DFNIBXOVSA-N 1 3 302.462 2.851 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1(C)C ZINC000443068367 297214750 /nfs/dbraw/zinc/21/47/50/297214750.db2.gz KNBBBOUUEPJPRL-CABCVRRESA-N 1 3 313.555 2.522 20 0 DFADHO CCN(Cc1ccc(C(=O)NCC[C@H]2CCC[NH2+]2)cc1)C1CC1 ZINC000444268884 297234795 /nfs/dbraw/zinc/23/47/95/297234795.db2.gz WIFPZYIPRIVETG-QGZVFWFLSA-N 1 3 315.461 2.543 20 0 DFADHO Cc1ccc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCCN2C)nc1 ZINC000447314376 297300768 /nfs/dbraw/zinc/30/07/68/297300768.db2.gz UYWBJRQARIPJMH-MRXNPFEDSA-N 1 3 318.465 2.525 20 0 DFADHO Cc1ccc(NC(=O)CC[N@H+](C)CC[C@H]2CCCCN2C)nc1 ZINC000447314376 297300769 /nfs/dbraw/zinc/30/07/69/297300769.db2.gz UYWBJRQARIPJMH-MRXNPFEDSA-N 1 3 318.465 2.525 20 0 DFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000449105038 297406444 /nfs/dbraw/zinc/40/64/44/297406444.db2.gz BVLHHYXXUHUVTM-DLBZAZTESA-N 1 3 319.493 2.738 20 0 DFADHO C[C@H](Cc1ccoc1)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000449130216 297410048 /nfs/dbraw/zinc/41/00/48/297410048.db2.gz YAFHLHYHILMVGE-MRXNPFEDSA-N 1 3 316.445 2.983 20 0 DFADHO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C12CCC2 ZINC000453068782 298059078 /nfs/dbraw/zinc/05/90/78/298059078.db2.gz SRMFMNVXAHCEHI-ZWKOTPCHSA-N 1 3 318.461 2.674 20 0 DFADHO CN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453216191 298071914 /nfs/dbraw/zinc/07/19/14/298071914.db2.gz GJCNVFKABDSKBU-OTWHNJEPSA-N 1 3 301.478 2.581 20 0 DFADHO CN(C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453216191 298071916 /nfs/dbraw/zinc/07/19/16/298071916.db2.gz GJCNVFKABDSKBU-OTWHNJEPSA-N 1 3 301.478 2.581 20 0 DFADHO CN(C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453216191 298071919 /nfs/dbraw/zinc/07/19/19/298071919.db2.gz GJCNVFKABDSKBU-OTWHNJEPSA-N 1 3 301.478 2.581 20 0 DFADHO CC[C@@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)[C@@H](O)CC ZINC000453338867 298084735 /nfs/dbraw/zinc/08/47/35/298084735.db2.gz BFCUESIDVJUWKX-OLMNPRSZSA-N 1 3 308.466 2.827 20 0 DFADHO O[C@H]1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453356082 298086617 /nfs/dbraw/zinc/08/66/17/298086617.db2.gz HTHVCVVTQHAAJC-APAFKAMOSA-N 1 3 300.446 2.543 20 0 DFADHO O[C@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453356082 298086620 /nfs/dbraw/zinc/08/66/20/298086620.db2.gz HTHVCVVTQHAAJC-APAFKAMOSA-N 1 3 300.446 2.543 20 0 DFADHO Cc1cnc(CCNC2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000453398301 298090115 /nfs/dbraw/zinc/09/01/15/298090115.db2.gz KMNYZEHEDXIBPA-UHFFFAOYSA-N 1 3 324.472 2.624 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cccc(OCCN(C)C)c1 ZINC000453401423 298090680 /nfs/dbraw/zinc/09/06/80/298090680.db2.gz DQMDZKCNLLOSDO-RVKKMQEKSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@H](C(=O)NCCCCC[NH+]1CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000357090524 298152460 /nfs/dbraw/zinc/15/24/60/298152460.db2.gz RZJNRWUWQDTQLR-IXDOHACOSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCOC2=O)c1 ZINC000496284986 300040959 /nfs/dbraw/zinc/04/09/59/300040959.db2.gz QDTJAOADEAKHND-QEJZJMRPSA-N 1 3 303.406 2.564 20 0 DFADHO C[C@@H](CC[NH2+]CCCNC(=O)OC(C)(C)C)N1CCCCC1 ZINC000496574523 300082276 /nfs/dbraw/zinc/08/22/76/300082276.db2.gz XQLSQQMDJRLXHL-HNNXBMFYSA-N 1 3 313.486 2.755 20 0 DFADHO C[C@@H](CCNCCCNC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000496574523 300082279 /nfs/dbraw/zinc/08/22/79/300082279.db2.gz XQLSQQMDJRLXHL-HNNXBMFYSA-N 1 3 313.486 2.755 20 0 DFADHO CCNCCC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497202013 300177568 /nfs/dbraw/zinc/17/75/68/300177568.db2.gz IPSRIKOWVZVBKU-MRXNPFEDSA-N 1 3 319.449 2.629 20 0 DFADHO CC[NH2+]CCCN[C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497202013 300177569 /nfs/dbraw/zinc/17/75/69/300177569.db2.gz IPSRIKOWVZVBKU-MRXNPFEDSA-N 1 3 319.449 2.629 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H]3C[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000503269227 300219485 /nfs/dbraw/zinc/21/94/85/300219485.db2.gz YJPXWFOTYNNHKC-QFBILLFUSA-N 1 3 316.493 2.579 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H]3C[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000503269227 300219489 /nfs/dbraw/zinc/21/94/89/300219489.db2.gz YJPXWFOTYNNHKC-QFBILLFUSA-N 1 3 316.493 2.579 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000515054807 300287481 /nfs/dbraw/zinc/28/74/81/300287481.db2.gz NXZGEJUYVSZVNP-KRWDZBQOSA-N 1 3 308.441 2.582 20 0 DFADHO COc1ccccc1N1CCC([NH2+][C@H](C)[C@H]2CCCNC2)CC1 ZINC000515803469 300321116 /nfs/dbraw/zinc/32/11/16/300321116.db2.gz IBGUCYFJCRVPHV-CVEARBPZSA-N 1 3 317.477 2.642 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(-c2cccnc2)c1 ZINC000516173916 300332850 /nfs/dbraw/zinc/33/28/50/300332850.db2.gz MUSKRZDQPKWMMW-GDIGMMSISA-N 1 3 311.429 2.591 20 0 DFADHO OC1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000517553752 300399200 /nfs/dbraw/zinc/39/92/00/300399200.db2.gz RLCSSWNNMVAFNW-LPHOPBHVSA-N 1 3 316.445 2.527 20 0 DFADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000530024875 301005994 /nfs/dbraw/zinc/00/59/94/301005994.db2.gz YBBUOLKQMGCWRY-QZTJIDSGSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000530024875 301005996 /nfs/dbraw/zinc/00/59/96/301005996.db2.gz YBBUOLKQMGCWRY-QZTJIDSGSA-N 1 3 319.493 2.527 20 0 DFADHO C[C@H](NCCc1cccc2c1OC(F)(F)O2)[C@H]1CCC[NH2+]C1 ZINC000530215271 301029898 /nfs/dbraw/zinc/02/98/98/301029898.db2.gz GGRAPGGTKLLZLN-AAEUAGOBSA-N 1 3 312.360 2.528 20 0 DFADHO C[C@H]([NH2+]CCc1cccc2c1OC(F)(F)O2)[C@H]1CCCNC1 ZINC000530215271 301029899 /nfs/dbraw/zinc/02/98/99/301029899.db2.gz GGRAPGGTKLLZLN-AAEUAGOBSA-N 1 3 312.360 2.528 20 0 DFADHO CO[C@H](CN1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000530218381 301030597 /nfs/dbraw/zinc/03/05/97/301030597.db2.gz FSUCFHGFFXTSDK-FUHWJXTLSA-N 1 3 306.425 2.835 20 0 DFADHO CCN(C[C@H](Cc1ccc(F)cc1)OC)[C@H]1CCC[NH2+]CC1 ZINC000530219448 301031023 /nfs/dbraw/zinc/03/10/23/301031023.db2.gz PPILBSZHYLSLSV-ROUUACIJSA-N 1 3 308.441 2.847 20 0 DFADHO FC(F)(F)c1ncccc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000530219689 301031107 /nfs/dbraw/zinc/03/11/07/301031107.db2.gz HXFIKFUHGUZQFZ-CHWSQXEVSA-N 1 3 313.367 2.922 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc2c(c1)OCCNC2 ZINC000530247485 301033668 /nfs/dbraw/zinc/03/36/68/301033668.db2.gz UVVZXITZJFBTAQ-HOCLYGCPSA-N 1 3 303.450 2.891 20 0 DFADHO Cc1ccc(F)c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248340 301033810 /nfs/dbraw/zinc/03/38/10/301033810.db2.gz JGNTUYUSAVUVSD-KRWDZBQOSA-N 1 3 306.425 2.725 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531728167 301106405 /nfs/dbraw/zinc/10/64/05/301106405.db2.gz BVEVPVPHQJXLMQ-GDBMZVCRSA-N 1 3 303.450 2.644 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)NCC[N@H+]1CC[C@@H](C)C1 ZINC000531728167 301106407 /nfs/dbraw/zinc/10/64/07/301106407.db2.gz BVEVPVPHQJXLMQ-GDBMZVCRSA-N 1 3 303.450 2.644 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NCC[N@@H+]2CC[C@H](C)C2)c1C ZINC000531728577 301106416 /nfs/dbraw/zinc/10/64/16/301106416.db2.gz SBYXXMPGMUPGTH-HOCLYGCPSA-N 1 3 317.477 2.952 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NCC[N@H+]2CC[C@H](C)C2)c1C ZINC000531728577 301106418 /nfs/dbraw/zinc/10/64/18/301106418.db2.gz SBYXXMPGMUPGTH-HOCLYGCPSA-N 1 3 317.477 2.952 20 0 DFADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532235223 301138626 /nfs/dbraw/zinc/13/86/26/301138626.db2.gz RXNWSMQFCIIGRJ-WWGRRREGSA-N 1 3 301.434 2.705 20 0 DFADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532235223 301138628 /nfs/dbraw/zinc/13/86/28/301138628.db2.gz RXNWSMQFCIIGRJ-WWGRRREGSA-N 1 3 301.434 2.705 20 0 DFADHO C[C@@H]1CCN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000532239221 301139048 /nfs/dbraw/zinc/13/90/48/301139048.db2.gz KDTJTYWPHZOBOG-WSTZPKSXSA-N 1 3 315.505 2.828 20 0 DFADHO CCc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)s1 ZINC000536664471 301287400 /nfs/dbraw/zinc/28/74/00/301287400.db2.gz DLTACTDNTQXYPX-CRAIPNDOSA-N 1 3 321.534 2.768 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000540263804 301361244 /nfs/dbraw/zinc/36/12/44/301361244.db2.gz ZEJXQYRUMICIFV-LJQANCHMSA-N 1 3 319.468 2.894 20 0 DFADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000561060903 301920821 /nfs/dbraw/zinc/92/08/21/301920821.db2.gz SOTZYVAWLZUGSQ-KBPBESRZSA-N 1 3 316.449 2.674 20 0 DFADHO CC(=O)N1CC[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC000562960385 302018764 /nfs/dbraw/zinc/01/87/64/302018764.db2.gz OALLJGZKZPLFTK-PVAVHDDUSA-N 1 3 301.434 2.591 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(C)(C)O)C2)s1 ZINC000563889086 302106453 /nfs/dbraw/zinc/10/64/53/302106453.db2.gz GEAWEIOJTKCNCD-HNNXBMFYSA-N 1 3 310.507 2.971 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(C)(C)O)C2)s1 ZINC000563889086 302106454 /nfs/dbraw/zinc/10/64/54/302106454.db2.gz GEAWEIOJTKCNCD-HNNXBMFYSA-N 1 3 310.507 2.971 20 0 DFADHO C[C@H](NCCN1CCc2c(Cl)cccc2C1)[C@H]1CCC[NH2+]C1 ZINC000564826092 302161729 /nfs/dbraw/zinc/16/17/29/302161729.db2.gz AZNIDCAQGFTLLG-GJZGRUSLSA-N 1 3 321.896 2.676 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000564846886 302163839 /nfs/dbraw/zinc/16/38/39/302163839.db2.gz UUOSPROQJAUFQH-MOPGFXCFSA-N 1 3 304.478 2.690 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)CCc2ccccc2)C1 ZINC000564846886 302163842 /nfs/dbraw/zinc/16/38/42/302163842.db2.gz UUOSPROQJAUFQH-MOPGFXCFSA-N 1 3 304.478 2.690 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)CCc2ccccc2)C1 ZINC000564846886 302163844 /nfs/dbraw/zinc/16/38/44/302163844.db2.gz UUOSPROQJAUFQH-MOPGFXCFSA-N 1 3 304.478 2.690 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000564846889 302163866 /nfs/dbraw/zinc/16/38/66/302163866.db2.gz UUOSPROQJAUFQH-RTBURBONSA-N 1 3 304.478 2.690 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)CCc2ccccc2)C1 ZINC000564846889 302163868 /nfs/dbraw/zinc/16/38/68/302163868.db2.gz UUOSPROQJAUFQH-RTBURBONSA-N 1 3 304.478 2.690 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)CCc2ccccc2)C1 ZINC000564846889 302163869 /nfs/dbraw/zinc/16/38/69/302163869.db2.gz UUOSPROQJAUFQH-RTBURBONSA-N 1 3 304.478 2.690 20 0 DFADHO C[C@H](NCCC(=O)Nc1cccc(F)c1)C(C)(C)C[NH+](C)C ZINC000564854249 302164628 /nfs/dbraw/zinc/16/46/28/302164628.db2.gz MWKVLRCBRHMWLV-ZDUSSCGKSA-N 1 3 309.429 2.720 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000565226736 302210133 /nfs/dbraw/zinc/21/01/33/302210133.db2.gz MQXYWBDYDMGAJO-HUUCEWRRSA-N 1 3 316.474 2.997 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCCc2nc(-c3ccncc3)cs2)C1 ZINC000565226736 302210135 /nfs/dbraw/zinc/21/01/35/302210135.db2.gz MQXYWBDYDMGAJO-HUUCEWRRSA-N 1 3 316.474 2.997 20 0 DFADHO COc1ccc([C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000565225299 302210143 /nfs/dbraw/zinc/21/01/43/302210143.db2.gz CGPZHGHBGNUYID-SCTDSRPQSA-N 1 3 317.477 2.692 20 0 DFADHO COc1c(C)cc(C[N@H+](C)CCCN(C)CCN(C)C)cc1C ZINC000565567901 302230049 /nfs/dbraw/zinc/23/00/49/302230049.db2.gz URRIIMWSXWEROH-UHFFFAOYSA-N 1 3 321.509 2.627 20 0 DFADHO COc1c(C)cc(C[N@@H+](C)CCCN(C)CCN(C)C)cc1C ZINC000565567901 302230050 /nfs/dbraw/zinc/23/00/50/302230050.db2.gz URRIIMWSXWEROH-UHFFFAOYSA-N 1 3 321.509 2.627 20 0 DFADHO CCO[C@@H]1C[C@@H](NCC2([NH3+])CCCCCC2)C12CCOCC2 ZINC000565827638 302243862 /nfs/dbraw/zinc/24/38/62/302243862.db2.gz QZQCYTAFOUCEOT-HZPDHXFCSA-N 1 3 310.482 2.602 20 0 DFADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000565887589 302246788 /nfs/dbraw/zinc/24/67/88/302246788.db2.gz WQCZLTBAUMROQB-SCTDSRPQSA-N 1 3 304.478 2.719 20 0 DFADHO CC(C)C[N@H+]1CC[C@H](CNC[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000565887589 302246790 /nfs/dbraw/zinc/24/67/90/302246790.db2.gz WQCZLTBAUMROQB-SCTDSRPQSA-N 1 3 304.478 2.719 20 0 DFADHO CC[C@H](C)[C@@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000567484165 302362880 /nfs/dbraw/zinc/36/28/80/302362880.db2.gz IMQBUAVADQYUSW-JKSUJKDBSA-N 1 3 323.525 2.734 20 0 DFADHO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OCCN(C)C)c2)C1(C)C ZINC000181524610 316062144 /nfs/dbraw/zinc/06/21/44/316062144.db2.gz DBIAPMIQHYBKBO-ROUUACIJSA-N 1 3 320.477 2.920 20 0 DFADHO CCCC[N@H+](C)CC1CCN(CCO[C@H]2CCCCO2)CC1 ZINC000185193356 316182200 /nfs/dbraw/zinc/18/22/00/316182200.db2.gz MZLALYSFGVPXHO-SFHVURJKSA-N 1 3 312.498 2.974 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(CCO[C@H]2CCCCO2)CC1 ZINC000185193356 316182203 /nfs/dbraw/zinc/18/22/03/316182203.db2.gz MZLALYSFGVPXHO-SFHVURJKSA-N 1 3 312.498 2.974 20 0 DFADHO CCOC(=O)CCCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185710022 316190999 /nfs/dbraw/zinc/19/09/99/316190999.db2.gz SMIHGHZGYSKGHJ-CVEARBPZSA-N 1 3 310.482 2.962 20 0 DFADHO CCc1ccc(CN2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)s1 ZINC000414703164 316637032 /nfs/dbraw/zinc/63/70/32/316637032.db2.gz XWHRGGGNKCJXSB-HZPDHXFCSA-N 1 3 321.534 2.816 20 0 DFADHO CC[N@H+](CCNC(=O)Nc1ccccc1CCN(C)C)C(C)C ZINC000446570111 317016655 /nfs/dbraw/zinc/01/66/55/317016655.db2.gz WLZCQJXGAKJTKX-UHFFFAOYSA-N 1 3 320.481 2.643 20 0 DFADHO CC[N@@H+](CCNC(=O)Nc1ccccc1CCN(C)C)C(C)C ZINC000446570111 317016659 /nfs/dbraw/zinc/01/66/59/317016659.db2.gz WLZCQJXGAKJTKX-UHFFFAOYSA-N 1 3 320.481 2.643 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000450497107 317098432 /nfs/dbraw/zinc/09/84/32/317098432.db2.gz CDCTWYTYCUUSFJ-OQIJWPOYSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000450497107 317098434 /nfs/dbraw/zinc/09/84/34/317098434.db2.gz CDCTWYTYCUUSFJ-OQIJWPOYSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000450497107 317098437 /nfs/dbraw/zinc/09/84/37/317098437.db2.gz CDCTWYTYCUUSFJ-OQIJWPOYSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000450497107 317098439 /nfs/dbraw/zinc/09/84/39/317098439.db2.gz CDCTWYTYCUUSFJ-OQIJWPOYSA-N 1 3 302.462 2.567 20 0 DFADHO COC1([C@@H](C)NCCC[N@H+](C)C2CCCCC2)CCOCC1 ZINC000453075591 317159200 /nfs/dbraw/zinc/15/92/00/317159200.db2.gz PCNKLRWFXSCYQQ-MRXNPFEDSA-N 1 3 312.498 2.815 20 0 DFADHO COC1([C@@H](C)NCCC[N@@H+](C)C2CCCCC2)CCOCC1 ZINC000453075591 317159203 /nfs/dbraw/zinc/15/92/03/317159203.db2.gz PCNKLRWFXSCYQQ-MRXNPFEDSA-N 1 3 312.498 2.815 20 0 DFADHO COC1([C@@H](C)[NH2+]CCCN(C)C2CCCCC2)CCOCC1 ZINC000453075591 317159204 /nfs/dbraw/zinc/15/92/04/317159204.db2.gz PCNKLRWFXSCYQQ-MRXNPFEDSA-N 1 3 312.498 2.815 20 0 DFADHO CCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453081187 317160632 /nfs/dbraw/zinc/16/06/32/317160632.db2.gz PKKJOVCVBUJUOF-XUVXKRRUSA-N 1 3 315.505 2.971 20 0 DFADHO CC1CC[NH+](C2CCC(N[C@@H]3CCn4ccnc43)CC2)CC1 ZINC000453167033 317167949 /nfs/dbraw/zinc/16/79/49/317167949.db2.gz IMADQXULXVWHBQ-OFLPRAFFSA-N 1 3 302.466 2.961 20 0 DFADHO Cc1ccc(C[C@@H](CO)NC2CC[NH+](C(C)C)CC2)cc1C ZINC000453450435 317184611 /nfs/dbraw/zinc/18/46/11/317184611.db2.gz QXHYLVYQBSABLP-IBGZPJMESA-N 1 3 304.478 2.669 20 0 DFADHO CC(C)[C@@H](C(=O)NC1CC[NH+](C2CCC2)CC1)N1CCCCC1 ZINC000456679436 317242937 /nfs/dbraw/zinc/24/29/37/317242937.db2.gz AFJKSNLLURNLET-SFHVURJKSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)[C@@H]1CC1(C)C ZINC000487556796 317347309 /nfs/dbraw/zinc/34/73/09/317347309.db2.gz IPPSDIFOWBKYGJ-WBAXXEDZSA-N 1 3 302.462 2.777 20 0 DFADHO Cc1ccc(F)cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240472 317777963 /nfs/dbraw/zinc/77/79/63/317777963.db2.gz LTWRJFCTZLDMLT-SFHVURJKSA-N 1 3 306.425 2.725 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCOc2ccc(C(F)(F)F)cc2)C1 ZINC000566483869 317952225 /nfs/dbraw/zinc/95/22/25/317952225.db2.gz XNZWPWXBKUJKAA-CHWSQXEVSA-N 1 3 302.340 2.944 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC000572066947 318000402 /nfs/dbraw/zinc/00/04/02/318000402.db2.gz JJWRWQQOEVOYQB-CALCHBBNSA-N 1 3 323.525 2.593 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC000572066947 318000405 /nfs/dbraw/zinc/00/04/05/318000405.db2.gz JJWRWQQOEVOYQB-CALCHBBNSA-N 1 3 323.525 2.593 20 0 DFADHO Cc1ccc(C[C@@H](CO)NC2CC[NH+](CC3CC3)CC2)cc1C ZINC000573417220 318018616 /nfs/dbraw/zinc/01/86/16/318018616.db2.gz DEYLBQFNVHVXCH-FQEVSTJZSA-N 1 3 316.489 2.671 20 0 DFADHO CCCCNC(=O)c1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000575002459 318056591 /nfs/dbraw/zinc/05/65/91/318056591.db2.gz LIBLQMGWGXNYHO-DLBZAZTESA-N 1 3 303.450 2.576 20 0 DFADHO CC1CCC(N(C(=O)CN2CCC(CC[NH3+])CC2)C2CC2)CC1 ZINC000575065487 318060900 /nfs/dbraw/zinc/06/09/00/318060900.db2.gz MOULDPAHTYVLER-UHFFFAOYSA-N 1 3 321.509 2.617 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000575741946 318079926 /nfs/dbraw/zinc/07/99/26/318079926.db2.gz YPKSFFXZFSBDBO-AWEZNQCLSA-N 1 3 319.424 2.537 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000575741946 318079927 /nfs/dbraw/zinc/07/99/27/318079927.db2.gz YPKSFFXZFSBDBO-AWEZNQCLSA-N 1 3 319.424 2.537 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000575741946 318079929 /nfs/dbraw/zinc/07/99/29/318079929.db2.gz YPKSFFXZFSBDBO-AWEZNQCLSA-N 1 3 319.424 2.537 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000576292758 318117054 /nfs/dbraw/zinc/11/70/54/318117054.db2.gz YPJJHTAHDYSGFW-CHWSQXEVSA-N 1 3 302.340 2.944 20 0 DFADHO C[C@@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)C1=CCN(C)CC1 ZINC000576698239 318143789 /nfs/dbraw/zinc/14/37/89/318143789.db2.gz ZPUVHIJJUAGLBU-CYBMUJFWSA-N 1 3 321.852 2.909 20 0 DFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@@H](c1ccccc1)c1cncnc1 ZINC000576744210 318147262 /nfs/dbraw/zinc/14/72/62/318147262.db2.gz ZWNRNKYQMWWKLK-MLECAZACSA-N 1 3 308.429 2.672 20 0 DFADHO OC1(C[NH2+][C@@H]2CCCC23CC3)CCN(Cc2ccccc2)CC1 ZINC000577125551 318173142 /nfs/dbraw/zinc/17/31/42/318173142.db2.gz UWEOLYXEZHEEFQ-GOSISDBHSA-N 1 3 314.473 2.936 20 0 DFADHO CN(C)Cc1ccccc1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000577784934 318216794 /nfs/dbraw/zinc/21/67/94/318216794.db2.gz MCJAJGFRZQBCPX-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO CN(C)Cc1ccccc1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000577784934 318216795 /nfs/dbraw/zinc/21/67/95/318216795.db2.gz MCJAJGFRZQBCPX-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO C[C@H](N[C@H]1CCN(c2c(F)cccc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000577829014 318219763 /nfs/dbraw/zinc/21/97/63/318219763.db2.gz HKMFYDITCRBCIB-IHRRRGAJSA-N 1 3 309.404 2.521 20 0 DFADHO c1ccc(-c2ncc(CN3CCC4(CC[NH2+]C4)CC3)cn2)cc1 ZINC000577850055 318221384 /nfs/dbraw/zinc/22/13/84/318221384.db2.gz UZKFBRDHGYDISJ-UHFFFAOYSA-N 1 3 308.429 2.719 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCNc2ncc(Cl)cc2Cl)C1 ZINC000577887672 318224781 /nfs/dbraw/zinc/22/47/81/318224781.db2.gz ZLASPEKEQUPWKO-GHMZBOCLSA-N 1 3 303.237 2.660 20 0 DFADHO C[C@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)C1=CCN(C)CC1 ZINC000577948577 318227532 /nfs/dbraw/zinc/22/75/32/318227532.db2.gz NZPFGQKFTWLOIM-KKSFZXQISA-N 1 3 324.468 2.983 20 0 DFADHO C[C@@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)C1=CCN(C)CC1 ZINC000577948575 318227571 /nfs/dbraw/zinc/22/75/71/318227571.db2.gz NZPFGQKFTWLOIM-IERDGZPVSA-N 1 3 324.468 2.983 20 0 DFADHO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCCNC1 ZINC000578314061 318251941 /nfs/dbraw/zinc/25/19/41/318251941.db2.gz WZNFWCGAIRTHJS-JKSUJKDBSA-N 1 3 320.452 2.852 20 0 DFADHO CC[NH+]1CCC(CN[C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000578494067 318264387 /nfs/dbraw/zinc/26/43/87/318264387.db2.gz BMTXIJFECPMVPE-IBGZPJMESA-N 1 3 310.445 2.888 20 0 DFADHO CC[NH+]1CCC(CN[C@H](c2ccccc2)c2cncnc2)CC1 ZINC000578494068 318264554 /nfs/dbraw/zinc/26/45/54/318264554.db2.gz BMTXIJFECPMVPE-LJQANCHMSA-N 1 3 310.445 2.888 20 0 DFADHO C[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](c1ccccc1)N(C)C ZINC000578568994 318270103 /nfs/dbraw/zinc/27/01/03/318270103.db2.gz FOMKHHTYOBGXGG-YJBOKZPZSA-N 1 3 305.466 2.526 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCCN1CCC(C)CC1 ZINC000578846940 318288944 /nfs/dbraw/zinc/28/89/44/318288944.db2.gz OOYNWKNLPUAFSB-IEBWSBKVSA-N 1 3 304.478 2.863 20 0 DFADHO C[C@@H]1C[C@H](NC[C@H](O)Cc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000578998266 318300574 /nfs/dbraw/zinc/30/05/74/318300574.db2.gz QHENVBZZMZUVOG-CDHQVMDDSA-N 1 3 312.457 2.816 20 0 DFADHO C[C@@H]1C[C@H](NC[C@H](O)Cc2ccc3ccccc3c2)CC[N@H+]1C ZINC000578998266 318300577 /nfs/dbraw/zinc/30/05/77/318300577.db2.gz QHENVBZZMZUVOG-CDHQVMDDSA-N 1 3 312.457 2.816 20 0 DFADHO CCN1CCN(Cc2ccc(N[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000579005295 318301408 /nfs/dbraw/zinc/30/14/08/318301408.db2.gz UNKBAXQVWGTJHG-IEBWSBKVSA-N 1 3 316.493 2.506 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCCC23CC3)C1 ZINC000579733022 318351662 /nfs/dbraw/zinc/35/16/62/318351662.db2.gz HELZCHWWDZAYBD-ROUUACIJSA-N 1 3 300.446 2.676 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(C)C2)CCN1Cc1ccccc1 ZINC000379631639 323289415 /nfs/dbraw/zinc/28/94/15/323289415.db2.gz RQDASHMIJYBOOV-RLLQIKCJSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379645726 323290316 /nfs/dbraw/zinc/29/03/16/323290316.db2.gz DMEIMIRLNQZELW-JFRXWTBNSA-N 1 3 301.478 2.627 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381753637 323295472 /nfs/dbraw/zinc/29/54/72/323295472.db2.gz CMKBTOMMRCJRCF-IHPCNDPISA-N 1 3 315.505 2.828 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)CN(C)C ZINC000381878655 323295506 /nfs/dbraw/zinc/29/55/06/323295506.db2.gz NYBGBNGDPYVCDJ-QLFBSQMISA-N 1 3 313.486 2.610 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CCN1CC[C@H]1CCC[NH2+]C1 ZINC000382767251 323302528 /nfs/dbraw/zinc/30/25/28/323302528.db2.gz WUAKCCQSVFFONR-QZTJIDSGSA-N 1 3 301.478 2.582 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000384490362 323307208 /nfs/dbraw/zinc/30/72/08/323307208.db2.gz SVJHSAIYYWNUNX-PBHICJAKSA-N 1 3 303.450 2.855 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000580639756 323414716 /nfs/dbraw/zinc/41/47/16/323414716.db2.gz NGONETPVCSUQMC-IUCAKERBSA-N 1 3 324.778 2.881 20 0 DFADHO CC(C)[NH+](CCCNC(=O)C[C@@H](N)c1ccccc1)C(C)C ZINC000583750690 323907577 /nfs/dbraw/zinc/90/75/77/323907577.db2.gz GFGMPEJIYMTLLP-QGZVFWFLSA-N 1 3 305.466 2.702 20 0 DFADHO C[C@H](O)[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000584286793 332213724 /nfs/dbraw/zinc/21/37/24/332213724.db2.gz IAHDGAMUCICTCG-KBPBESRZSA-N 1 3 310.869 2.911 20 0 DFADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCOCCN(C)C ZINC000584449937 337339437 /nfs/dbraw/zinc/33/94/37/337339437.db2.gz VDQJYOGXHYYDQY-CYBMUJFWSA-N 1 3 318.383 2.804 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000584468554 337344606 /nfs/dbraw/zinc/34/46/06/337344606.db2.gz XHGADTKJGJJYSH-SOUVJXGZSA-N 1 3 320.481 2.541 20 0 DFADHO CN(CC1CC[NH+](C)CC1)C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000584616952 337372988 /nfs/dbraw/zinc/37/29/88/337372988.db2.gz QQTVJPQUCAMJJI-KRWDZBQOSA-N 1 3 317.477 2.513 20 0 DFADHO c1csc(C[NH+]2CCC(CN[C@@H]3CCn4ccnc43)CC2)c1 ZINC000297544418 534519271 /nfs/dbraw/zinc/51/92/71/534519271.db2.gz FEXKAWYDBXSRFJ-MRXNPFEDSA-N 1 3 316.474 2.891 20 0 DFADHO CC1CC[NH+](CC2CCN(C(=O)C3(N)CCCCC3)CC2)CC1 ZINC000366333129 520999354 /nfs/dbraw/zinc/99/93/54/520999354.db2.gz LMPDCUUCVIGGAX-UHFFFAOYSA-N 1 3 321.509 2.619 20 0 DFADHO c1nc2ccccc2n1CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000321472021 534536722 /nfs/dbraw/zinc/53/67/22/534536722.db2.gz WDHHLMLYEDJDKN-BBWFWOEESA-N 1 3 312.461 2.937 20 0 DFADHO CCOC(=O)c1coc(CNC2CCC(C[NH+](C)C)CC2)c1 ZINC000354480491 521584396 /nfs/dbraw/zinc/58/43/96/521584396.db2.gz QJZVCZXFZUZDNS-UHFFFAOYSA-N 1 3 308.422 2.666 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccccc1OC ZINC000154316465 522826517 /nfs/dbraw/zinc/82/65/17/522826517.db2.gz VYJBVIMQGFDOSU-GOSISDBHSA-N 1 3 319.493 2.764 20 0 DFADHO CC(C)(CO)CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000294802337 527204053 /nfs/dbraw/zinc/20/40/53/527204053.db2.gz MZMUMQVYZBCQBQ-GUDVDZBRSA-N 1 3 316.489 2.895 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000294841136 527831818 /nfs/dbraw/zinc/83/18/18/527831818.db2.gz BDQZWWKPNUEVSB-NEWSRXKRSA-N 1 3 304.478 2.906 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000294841136 527831823 /nfs/dbraw/zinc/83/18/23/527831823.db2.gz BDQZWWKPNUEVSB-NEWSRXKRSA-N 1 3 304.478 2.906 20 0 DFADHO CCCN(CC)C[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297482582 527989799 /nfs/dbraw/zinc/98/97/99/527989799.db2.gz SIUSGGVYGPHJMC-MRXNPFEDSA-N 1 3 304.482 2.760 20 0 DFADHO CC(C)CNC(=[NH2+])NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309764493 528030055 /nfs/dbraw/zinc/03/00/55/528030055.db2.gz YZFYKPXPLLDCMD-KRWDZBQOSA-N 1 3 302.466 2.669 20 0 DFADHO CCN(CCC[NH+](CC)CC)C(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000322978599 528102202 /nfs/dbraw/zinc/10/22/02/528102202.db2.gz YRCJOQDZRVUOBN-SJLPKXTDSA-N 1 3 319.493 2.903 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000294903915 528553646 /nfs/dbraw/zinc/55/36/46/528553646.db2.gz ZMLIPWGZKFALNM-WBVHZDCISA-N 1 3 305.466 2.574 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(C)(C)CC ZINC000362630197 535593549 /nfs/dbraw/zinc/59/35/49/535593549.db2.gz GNZIKGYFLLCKBN-INIZCTEOSA-N 1 3 311.514 2.687 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(C)(C)CC ZINC000362630197 535593551 /nfs/dbraw/zinc/59/35/51/535593551.db2.gz GNZIKGYFLLCKBN-INIZCTEOSA-N 1 3 311.514 2.687 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)c1ccccc1 ZINC000261914403 535674694 /nfs/dbraw/zinc/67/46/94/535674694.db2.gz QPCTYBXYNWKMQD-BPQIPLTHSA-N 1 3 317.477 2.574 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000361710356 535951377 /nfs/dbraw/zinc/95/13/77/535951377.db2.gz IOMWJEKTQSGNFC-KSSFIOAISA-N 1 3 315.461 2.545 20 0 DFADHO CN(C)Cc1ccc(-c2noc(C[C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000261897814 535994686 /nfs/dbraw/zinc/99/46/86/535994686.db2.gz YGEOCKCPYRYZIQ-CQSZACIVSA-N 1 3 314.433 2.730 20 0 DFADHO COc1ccc([C@H](C)NC[C@]2(O)CC[N@H+](C)C2)c2ccccc12 ZINC000358249669 536898255 /nfs/dbraw/zinc/89/82/55/536898255.db2.gz KTXZSEIKOKBUSR-IFXJQAMLSA-N 1 3 314.429 2.566 20 0 DFADHO COc1ccc([C@H](C)NC[C@]2(O)CC[N@@H+](C)C2)c2ccccc12 ZINC000358249669 536898256 /nfs/dbraw/zinc/89/82/56/536898256.db2.gz KTXZSEIKOKBUSR-IFXJQAMLSA-N 1 3 314.429 2.566 20 0 DFADHO Cc1ccc2nccc(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)c2c1 ZINC000680620472 545520014 /nfs/dbraw/zinc/52/00/14/545520014.db2.gz HQBBJGMWQYIYFN-RBUKOAKNSA-N 1 3 311.429 2.579 20 0 DFADHO CC(C)[C@@H](CNC1CC[NH+](CC2CC2)CC1)c1ccnn1C ZINC000682648029 545891154 /nfs/dbraw/zinc/89/11/54/545891154.db2.gz WAYYEGBERUVCKD-QGZVFWFLSA-N 1 3 304.482 2.624 20 0 DFADHO CCN(CC)CCC[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000683141659 545978702 /nfs/dbraw/zinc/97/87/02/545978702.db2.gz PXVKRIBWXKHRJT-QZTJIDSGSA-N 1 3 301.478 2.787 20 0 DFADHO C[C@H]1C[N@H+](CCCNCc2ccc3cnccc3c2)CCCO1 ZINC000683775545 546093788 /nfs/dbraw/zinc/09/37/88/546093788.db2.gz BJTVXPINBBXMOI-INIZCTEOSA-N 1 3 313.445 2.825 20 0 DFADHO C[C@H]1C[N@@H+](CCCNCc2ccc3cnccc3c2)CCCO1 ZINC000683775545 546093793 /nfs/dbraw/zinc/09/37/93/546093793.db2.gz BJTVXPINBBXMOI-INIZCTEOSA-N 1 3 313.445 2.825 20 0 DFADHO C[NH+](C)CCOc1cc(CNCc2cc3ccccc3[nH]2)ccn1 ZINC000683929928 546122484 /nfs/dbraw/zinc/12/24/84/546122484.db2.gz IBDYFTQAOYULBH-UHFFFAOYSA-N 1 3 324.428 2.793 20 0 DFADHO CO[C@@H]1CCC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000684389893 546207526 /nfs/dbraw/zinc/20/75/26/546207526.db2.gz YEVVJHDQEDRZLG-SJLPKXTDSA-N 1 3 303.450 2.845 20 0 DFADHO C[NH+]1CCC([C@@H]2CCN(Cc3nc4c(s3)CCC4)C2)CC1 ZINC000685463164 546354673 /nfs/dbraw/zinc/35/46/73/546354673.db2.gz UIVXFWNLDBGQJG-CQSZACIVSA-N 1 3 305.491 2.796 20 0 DFADHO COc1cccc2c1CC[C@@H]2NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278526634 214212768 /nfs/dbraw/zinc/21/27/68/214212768.db2.gz NEJSMZKBLKXMGE-YJBOKZPZSA-N 1 3 318.461 2.773 20 0 DFADHO COc1cccc2c1CC[C@@H]2NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278526634 214212771 /nfs/dbraw/zinc/21/27/71/214212771.db2.gz NEJSMZKBLKXMGE-YJBOKZPZSA-N 1 3 318.461 2.773 20 0 DFADHO OC1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000305861047 231075826 /nfs/dbraw/zinc/07/58/26/231075826.db2.gz LUHLBRUZSLPQSK-WYRHQLMOSA-N 1 3 314.473 2.790 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)CCN1C ZINC000309746991 231103951 /nfs/dbraw/zinc/10/39/51/231103951.db2.gz UTIRFYZKEUABCP-RLLQIKCJSA-N 1 3 315.505 2.971 20 0 DFADHO c1ccc(CCN2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000322595207 231211181 /nfs/dbraw/zinc/21/11/81/231211181.db2.gz KUYHADQAUALEBW-SLFFLAALSA-N 1 3 313.489 2.520 20 0 DFADHO c1ccc(CCN2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000322595207 231211185 /nfs/dbraw/zinc/21/11/85/231211185.db2.gz KUYHADQAUALEBW-SLFFLAALSA-N 1 3 313.489 2.520 20 0 DFADHO c1ccc(CCN2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000322595203 231212652 /nfs/dbraw/zinc/21/26/52/231212652.db2.gz KUYHADQAUALEBW-AABGKKOBSA-N 1 3 313.489 2.520 20 0 DFADHO c1ccc(CCN2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000322595203 231212655 /nfs/dbraw/zinc/21/26/55/231212655.db2.gz KUYHADQAUALEBW-AABGKKOBSA-N 1 3 313.489 2.520 20 0 DFADHO CC(C)CCOc1ccc(CNC2CC[NH+](CCO)CC2)cc1 ZINC000591909145 398350785 /nfs/dbraw/zinc/35/07/85/398350785.db2.gz SNAYQZRADSZYEU-UHFFFAOYSA-N 1 3 320.477 2.658 20 0 DFADHO OCC[NH+]1CCC(NCc2cccc(OC3CCCC3)c2)CC1 ZINC000591909293 398350829 /nfs/dbraw/zinc/35/08/29/398350829.db2.gz ZTNPPPDXVGEERU-UHFFFAOYSA-N 1 3 318.461 2.554 20 0 DFADHO CS[C@@H]1CN(c2nccc3[nH]ccc32)C[C@H]1[NH+]1CCCC1 ZINC000596195877 398354502 /nfs/dbraw/zinc/35/45/02/398354502.db2.gz PIKZRAVIKLHQGJ-HUUCEWRRSA-N 1 3 302.447 2.579 20 0 DFADHO [NH3+][C@H](CCC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000237906141 398375197 /nfs/dbraw/zinc/37/51/97/398375197.db2.gz VAZSJSMJXFWJGT-GOSISDBHSA-N 1 3 315.461 2.553 20 0 DFADHO c1cn(Cc2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)cn1 ZINC000459362825 299088971 /nfs/dbraw/zinc/08/89/71/299088971.db2.gz HNJSDMUVBJIDMB-UHFFFAOYSA-N 1 3 310.445 2.648 20 0 DFADHO CC(C)(C[NH2+]C1CCN(c2ccncc2)CC1)N1CCCCC1 ZINC000459373959 299090473 /nfs/dbraw/zinc/09/04/73/299090473.db2.gz SEWVAEGBSAJBMQ-UHFFFAOYSA-N 1 3 316.493 2.905 20 0 DFADHO COc1cccc(CN2CCC(CC[NH+](C)C)CC2)c1OC ZINC000092381153 185314875 /nfs/dbraw/zinc/31/48/75/185314875.db2.gz UYTJWXMZPKPKBZ-UHFFFAOYSA-N 1 3 306.450 2.868 20 0 DFADHO CN1CCC(N2CCC([NH2+]C3CC(C(C)(C)C)C3)CC2)CC1 ZINC000459383292 299092770 /nfs/dbraw/zinc/09/27/70/299092770.db2.gz AXRNDVPANAWHKS-UHFFFAOYSA-N 1 3 307.526 2.959 20 0 DFADHO Cc1ncsc1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000092587507 185327710 /nfs/dbraw/zinc/32/77/10/185327710.db2.gz KEUVKDGPAXRFSM-KBPBESRZSA-N 1 3 323.506 2.773 20 0 DFADHO C[C@@H](NCCn1cc(Cl)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459405870 299098556 /nfs/dbraw/zinc/09/85/56/299098556.db2.gz OCPSZYVRVWPDMY-KGLIPLIRSA-N 1 3 310.873 2.779 20 0 DFADHO C[C@@H](NCCn1cc(Cl)cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459405870 299098560 /nfs/dbraw/zinc/09/85/60/299098560.db2.gz OCPSZYVRVWPDMY-KGLIPLIRSA-N 1 3 310.873 2.779 20 0 DFADHO C[C@@H]([NH2+]CCn1cc(Cl)cn1)[C@H]1CCCN(C2CCC2)C1 ZINC000459405870 299098563 /nfs/dbraw/zinc/09/85/63/299098563.db2.gz OCPSZYVRVWPDMY-KGLIPLIRSA-N 1 3 310.873 2.779 20 0 DFADHO C[C@H]1C[C@@H](N(C)CCC(=O)OCc2ccccc2)CC[N@@H+]1C ZINC000181470335 199301607 /nfs/dbraw/zinc/30/16/07/199301607.db2.gz SBHKUKJOQGFYPG-RDJZCZTQSA-N 1 3 304.434 2.534 20 0 DFADHO C[C@H]1C[C@@H](N(C)CCC(=O)OCc2ccccc2)CC[N@H+]1C ZINC000181470335 199301609 /nfs/dbraw/zinc/30/16/09/199301609.db2.gz SBHKUKJOQGFYPG-RDJZCZTQSA-N 1 3 304.434 2.534 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000584714333 398401351 /nfs/dbraw/zinc/40/13/51/398401351.db2.gz ISTWSXUFQYFEQO-SUMWQHHRSA-N 1 3 302.466 2.516 20 0 DFADHO CC(C)[NH+]1CCC(N(C)CCC(=O)NCC2CCCCC2)CC1 ZINC000066873278 398404852 /nfs/dbraw/zinc/40/48/52/398404852.db2.gz QHHDKLLGNKFGQE-UHFFFAOYSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@@H](Cc1cccc(O)c1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459415566 299100832 /nfs/dbraw/zinc/10/08/32/299100832.db2.gz WOBCBZYCVLIFCU-HNNXBMFYSA-N 1 3 311.429 2.977 20 0 DFADHO CN(CCCc1nc(-c2cccs2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000318519233 529897510 /nfs/dbraw/zinc/89/75/10/529897510.db2.gz RDWUZEONVPTOLH-CYBMUJFWSA-N 1 3 320.462 2.805 20 0 DFADHO CCOC(=O)c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000592433627 398425466 /nfs/dbraw/zinc/42/54/66/398425466.db2.gz MOCJTZCNCLQNFW-HUUCEWRRSA-N 1 3 320.433 2.668 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccsc1 ZINC000262263068 398430769 /nfs/dbraw/zinc/43/07/69/398430769.db2.gz GWALBDDQXDMJMC-CWRNSKLLSA-N 1 3 323.506 2.765 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292852388 529931745 /nfs/dbraw/zinc/93/17/45/529931745.db2.gz QSGUXISTZOETBJ-MSOLQXFVSA-N 1 3 308.441 2.535 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292852388 529931746 /nfs/dbraw/zinc/93/17/46/529931746.db2.gz QSGUXISTZOETBJ-MSOLQXFVSA-N 1 3 308.441 2.535 20 0 DFADHO C[C@@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)[NH+]1CCCCCC1 ZINC000025408055 398441349 /nfs/dbraw/zinc/44/13/49/398441349.db2.gz ZISWFZPRJGAMCP-WMZOPIPTSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1[C@H]1CCN(Cc2ccccc2)C1 ZINC000459455697 299110285 /nfs/dbraw/zinc/11/02/85/299110285.db2.gz DEGIYJJULJTGML-HOJAQTOUSA-N 1 3 313.489 2.820 20 0 DFADHO C[C@@H]1CCC[N@H+](CCNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000046381200 282376906 /nfs/dbraw/zinc/37/69/06/282376906.db2.gz WBWJPBGEXZJHHH-OAHLLOKOSA-N 1 3 318.465 2.602 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000046381200 282376907 /nfs/dbraw/zinc/37/69/07/282376907.db2.gz WBWJPBGEXZJHHH-OAHLLOKOSA-N 1 3 318.465 2.602 20 0 DFADHO C[C@@H](CN1CCCCCC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459498420 299121609 /nfs/dbraw/zinc/12/16/09/299121609.db2.gz LEDPUEIFIICCRN-KRWDZBQOSA-N 1 3 316.493 2.905 20 0 DFADHO CCCN(CCN[C@H]1CC[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000090811801 398493104 /nfs/dbraw/zinc/49/31/04/398493104.db2.gz WFLKPCIRMMRURK-GJZGRUSLSA-N 1 3 313.486 2.563 20 0 DFADHO CCCN(CCN[C@H]1CC[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000090811801 398493107 /nfs/dbraw/zinc/49/31/07/398493107.db2.gz WFLKPCIRMMRURK-GJZGRUSLSA-N 1 3 313.486 2.563 20 0 DFADHO CCc1cnc(CNC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000234213172 201902256 /nfs/dbraw/zinc/90/22/56/201902256.db2.gz FHRUPJJACKDBAU-UHFFFAOYSA-N 1 3 302.447 2.859 20 0 DFADHO CC(=O)Nc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000181941575 199366077 /nfs/dbraw/zinc/36/60/77/199366077.db2.gz FEJCJNXPBMIXIG-UKRRQHHQSA-N 1 3 301.434 2.780 20 0 DFADHO CC(=O)Nc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000181941575 199366080 /nfs/dbraw/zinc/36/60/80/199366080.db2.gz FEJCJNXPBMIXIG-UKRRQHHQSA-N 1 3 301.434 2.780 20 0 DFADHO C[C@@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCO[C@H]1C1CC1 ZINC000459540943 299129334 /nfs/dbraw/zinc/12/93/34/299129334.db2.gz VSKJDHLSTZBGBS-OALUTQOASA-N 1 3 315.461 2.845 20 0 DFADHO OC[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)CC1CCCC1 ZINC000459549252 299131670 /nfs/dbraw/zinc/13/16/70/299131670.db2.gz ZCMUQDMFTCPRNK-QGZVFWFLSA-N 1 3 317.477 2.829 20 0 DFADHO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](CCCN2CCCCC2)C1 ZINC000459558894 299133374 /nfs/dbraw/zinc/13/33/74/299133374.db2.gz JYUOSUYNOVGTIO-SFHVURJKSA-N 1 3 310.482 2.916 20 0 DFADHO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](CCCN2CCCCC2)C1 ZINC000459558894 299133376 /nfs/dbraw/zinc/13/33/76/299133376.db2.gz JYUOSUYNOVGTIO-SFHVURJKSA-N 1 3 310.482 2.916 20 0 DFADHO CCN1CCN([C@@H]2CC[N@H+](Cc3cccc(C(F)F)c3)C2)CC1 ZINC000279693687 215066994 /nfs/dbraw/zinc/06/69/94/215066994.db2.gz IFZCIVPTVLMRSB-QGZVFWFLSA-N 1 3 323.431 2.836 20 0 DFADHO CCN1CCN([C@@H]2CC[N@@H+](Cc3cccc(C(F)F)c3)C2)CC1 ZINC000279693687 215066997 /nfs/dbraw/zinc/06/69/97/215066997.db2.gz IFZCIVPTVLMRSB-QGZVFWFLSA-N 1 3 323.431 2.836 20 0 DFADHO CSC1(CN[C@H]2CCCc3cccnc32)CC[NH+](C)CC1 ZINC000589345577 398547457 /nfs/dbraw/zinc/54/74/57/398547457.db2.gz XYPZWRLYJLLTAU-HNNXBMFYSA-N 1 3 305.491 2.876 20 0 DFADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597051078 398555490 /nfs/dbraw/zinc/55/54/90/398555490.db2.gz GYNLGOITIIDXBR-CQSZACIVSA-N 1 3 324.852 2.948 20 0 DFADHO COC(=O)c1oc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000597049042 398555940 /nfs/dbraw/zinc/55/59/40/398555940.db2.gz ZJLWWINNEQKWJC-CQSZACIVSA-N 1 3 322.449 2.976 20 0 DFADHO COC(=O)c1oc(CNCCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000597049042 398555944 /nfs/dbraw/zinc/55/59/44/398555944.db2.gz ZJLWWINNEQKWJC-CQSZACIVSA-N 1 3 322.449 2.976 20 0 DFADHO CCC[NH+]1CCC(CNCc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000597055208 398556362 /nfs/dbraw/zinc/55/63/62/398556362.db2.gz CWGPQMBVRGOPGK-UHFFFAOYSA-N 1 3 322.424 2.824 20 0 DFADHO Cn1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c(C(C)(C)C)n1 ZINC000261824735 282634065 /nfs/dbraw/zinc/63/40/65/282634065.db2.gz AWDXFSYHVOOWTD-INIZCTEOSA-N 1 3 304.482 2.682 20 0 DFADHO C[C@H](NCC1=CCCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000287176967 219362369 /nfs/dbraw/zinc/36/23/69/219362369.db2.gz UYODLAJWUIWKBP-HNNXBMFYSA-N 1 3 304.434 2.624 20 0 DFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C)(O)CC1 ZINC000179725474 186210407 /nfs/dbraw/zinc/21/04/07/186210407.db2.gz SQWRATZVPBGSLI-UHFFFAOYSA-N 1 3 304.478 2.991 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C)(O)CC1 ZINC000179725474 186210408 /nfs/dbraw/zinc/21/04/08/186210408.db2.gz SQWRATZVPBGSLI-UHFFFAOYSA-N 1 3 304.478 2.991 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cccc(OCCN(C)C)c1 ZINC000188025450 186245748 /nfs/dbraw/zinc/24/57/48/186245748.db2.gz PVHOVTORFXHQLN-GPMSIDNRSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(OCCN(C)C)cc1 ZINC000188041205 186248390 /nfs/dbraw/zinc/24/83/90/186248390.db2.gz HTACPYMTRKDKFY-KVSKMBFKSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000237496961 186297683 /nfs/dbraw/zinc/29/76/83/186297683.db2.gz VXRKPDXPELYZBF-FUHWJXTLSA-N 1 3 317.477 2.847 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000237496961 186297684 /nfs/dbraw/zinc/29/76/84/186297684.db2.gz VXRKPDXPELYZBF-FUHWJXTLSA-N 1 3 317.477 2.847 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2cnn(Cc3ccccc3)c2)C1 ZINC000459724932 299173078 /nfs/dbraw/zinc/17/30/78/299173078.db2.gz FIMSUOROXOLOAQ-GOSISDBHSA-N 1 3 312.461 2.753 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2cnn(Cc3ccccc3)c2)C1 ZINC000459724932 299173081 /nfs/dbraw/zinc/17/30/81/299173081.db2.gz FIMSUOROXOLOAQ-GOSISDBHSA-N 1 3 312.461 2.753 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000268743012 186374602 /nfs/dbraw/zinc/37/46/02/186374602.db2.gz QUMWLUSDVBIYRO-KRWDZBQOSA-N 1 3 317.477 2.660 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000268746021 186376069 /nfs/dbraw/zinc/37/60/69/186376069.db2.gz ASPFXPKJBZQZGK-MISYRCLQSA-N 1 3 315.505 2.828 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000268746682 186376337 /nfs/dbraw/zinc/37/63/37/186376337.db2.gz AUDLZCQITNIKSV-UAGQMJEPSA-N 1 3 318.461 2.851 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000268746682 186376339 /nfs/dbraw/zinc/37/63/39/186376339.db2.gz AUDLZCQITNIKSV-UAGQMJEPSA-N 1 3 318.461 2.851 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414825149 295822483 /nfs/dbraw/zinc/82/24/83/295822483.db2.gz SBCOLSFKDOFBSG-IJEWVQPXSA-N 1 3 304.434 2.714 20 0 DFADHO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000296051209 186689099 /nfs/dbraw/zinc/68/90/99/186689099.db2.gz RCJJOJCSTIQFTB-SFHVURJKSA-N 1 3 300.450 2.759 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414842005 295824799 /nfs/dbraw/zinc/82/47/99/295824799.db2.gz ZVPIVVXMDHCFLO-JZWPEALZSA-N 1 3 301.434 2.585 20 0 DFADHO COc1ccc(CC[C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1O ZINC000277221180 213375780 /nfs/dbraw/zinc/37/57/80/213375780.db2.gz MBEWEDKSGBLIFV-CQSZACIVSA-N 1 3 304.434 2.573 20 0 DFADHO C[C@@H](C[NH3+])CNCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414874129 295828805 /nfs/dbraw/zinc/82/88/05/295828805.db2.gz IDFCURKKOOCFSZ-HNNXBMFYSA-N 1 3 321.428 2.619 20 0 DFADHO C[C@@H](Cc1ccc(Br)cc1F)NC[C@H]1CC[NH2+]C1 ZINC000414918405 295834826 /nfs/dbraw/zinc/83/48/26/295834826.db2.gz UDENQJNBCWEXBJ-QWRGUYRKSA-N 1 3 315.230 2.718 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(OCC(F)(F)F)cc2)C1 ZINC000414925805 295836228 /nfs/dbraw/zinc/83/62/28/295836228.db2.gz MICHQUJYEBAMEH-CHWSQXEVSA-N 1 3 302.340 2.987 20 0 DFADHO CCn1nc(CNCC[C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000459778588 299189528 /nfs/dbraw/zinc/18/95/28/299189528.db2.gz LCPPRESZSKZVEW-HNNXBMFYSA-N 1 3 300.450 2.878 20 0 DFADHO CCn1nc(CNCC[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000459778588 299189532 /nfs/dbraw/zinc/18/95/32/299189532.db2.gz LCPPRESZSKZVEW-HNNXBMFYSA-N 1 3 300.450 2.878 20 0 DFADHO COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCNCC2(C)C)cc1F ZINC000414974583 295843217 /nfs/dbraw/zinc/84/32/17/295843217.db2.gz NRZBYBZUIOCPDG-DYVFJYSZSA-N 1 3 308.441 2.991 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000072859245 191241352 /nfs/dbraw/zinc/24/13/52/191241352.db2.gz FGZUJLBZGMMADS-CQSZACIVSA-N 1 3 323.868 2.942 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000072859245 191241354 /nfs/dbraw/zinc/24/13/54/191241354.db2.gz FGZUJLBZGMMADS-CQSZACIVSA-N 1 3 323.868 2.942 20 0 DFADHO COc1ccc(CN[C@@H](C)CCCC[NH3+])c(OC(F)F)c1 ZINC000415013862 295847404 /nfs/dbraw/zinc/84/74/04/295847404.db2.gz LIUBCMRBGNKOHV-NSHDSACASA-N 1 3 302.365 2.904 20 0 DFADHO COc1ccc(Br)c(CN[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415045491 295850726 /nfs/dbraw/zinc/85/07/26/295850726.db2.gz UCPQICIPTSGAQD-ZYHUDNBSSA-N 1 3 313.239 2.675 20 0 DFADHO CC(C)Oc1ccc([C@H]2CCC[C@@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415062687 295853437 /nfs/dbraw/zinc/85/34/37/295853437.db2.gz MTBSLVKDJUAJEH-GFEQUFNTSA-N 1 3 300.446 2.917 20 0 DFADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000173620795 198233335 /nfs/dbraw/zinc/23/33/35/198233335.db2.gz VODBHLKGGBXHDV-CVEARBPZSA-N 1 3 317.477 2.715 20 0 DFADHO COc1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1O ZINC000415072695 295854671 /nfs/dbraw/zinc/85/46/71/295854671.db2.gz YOVLPNQHYBXKFK-INIZCTEOSA-N 1 3 300.402 2.971 20 0 DFADHO COc1ccc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000415075760 295854931 /nfs/dbraw/zinc/85/49/31/295854931.db2.gz ACBJQKPFHNCIRD-KZNAEPCWSA-N 1 3 304.434 2.584 20 0 DFADHO CCN1CCN(c2ccc(NCC3CC[NH2+]CC3)c(C)c2)CC1 ZINC000415127857 295862167 /nfs/dbraw/zinc/86/21/67/295862167.db2.gz WLACNSMXCRUYDA-UHFFFAOYSA-N 1 3 316.493 2.548 20 0 DFADHO CN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000073988487 398715659 /nfs/dbraw/zinc/71/56/59/398715659.db2.gz HPYHCFHBDKYRAI-GOSISDBHSA-N 1 3 324.428 2.991 20 0 DFADHO CN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000073988487 398715661 /nfs/dbraw/zinc/71/56/61/398715661.db2.gz HPYHCFHBDKYRAI-GOSISDBHSA-N 1 3 324.428 2.991 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130483418 283050565 /nfs/dbraw/zinc/05/05/65/283050565.db2.gz VOPKHNONRSGRSD-UXHICEINSA-N 1 3 315.505 2.940 20 0 DFADHO CNCc1ccccc1NC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000415916454 295901906 /nfs/dbraw/zinc/90/19/06/295901906.db2.gz BOSDYMPZYNLWLV-UHFFFAOYSA-N 1 3 320.481 2.989 20 0 DFADHO CNCc1cccc(NC(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000415927883 295903257 /nfs/dbraw/zinc/90/32/57/295903257.db2.gz GHZQJRRFBNSKEU-UHFFFAOYSA-N 1 3 318.465 2.794 20 0 DFADHO C[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)N1CCCCCC1 ZINC000132364782 283115817 /nfs/dbraw/zinc/11/58/17/283115817.db2.gz NNJFZAHPZOLVCM-KRWDZBQOSA-N 1 3 323.525 2.831 20 0 DFADHO CC(C)[NH+]1CCC(Nc2ccc(OCCN(C)C)cc2)CC1 ZINC000236822481 202027096 /nfs/dbraw/zinc/02/70/96/202027096.db2.gz GAGXZBPMWFOFOR-UHFFFAOYSA-N 1 3 305.466 2.912 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353640729 283138861 /nfs/dbraw/zinc/13/88/61/283138861.db2.gz HNMKIXIMOPIHJM-WPVAHCMFSA-N 1 3 314.473 2.615 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353640729 283138868 /nfs/dbraw/zinc/13/88/68/283138868.db2.gz HNMKIXIMOPIHJM-WPVAHCMFSA-N 1 3 314.473 2.615 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000081333797 192252258 /nfs/dbraw/zinc/25/22/58/192252258.db2.gz JTIZRBDUBHDXBR-KRWDZBQOSA-N 1 3 317.477 2.552 20 0 DFADHO CCC(CC)(CNC(=O)[C@@H](N)C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000236856807 202039116 /nfs/dbraw/zinc/03/91/16/202039116.db2.gz LVLGCCLBEMSLRK-WBVHZDCISA-N 1 3 319.493 2.996 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](N)c1ccccc1 ZINC000236858221 202040358 /nfs/dbraw/zinc/04/03/58/202040358.db2.gz UGXHRFZLDGPMKE-DOTOQJQBSA-N 1 3 305.466 2.703 20 0 DFADHO C[NH+](C)CCOc1ccc(CNCc2cnn3ccccc23)cc1 ZINC000591695624 398781353 /nfs/dbraw/zinc/78/13/53/398781353.db2.gz FAOORSLMFHXJHU-UHFFFAOYSA-N 1 3 324.428 2.565 20 0 DFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](N)CC(C)C)cc1 ZINC000236904874 202062997 /nfs/dbraw/zinc/06/29/97/202062997.db2.gz NGALBAXMEQCYAB-KRWDZBQOSA-N 1 3 305.466 2.518 20 0 DFADHO CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H]2CSCCN2)c1 ZINC000236928444 202076602 /nfs/dbraw/zinc/07/66/02/202076602.db2.gz SRDLYJMTGUQPIN-MRXNPFEDSA-N 1 3 321.490 2.562 20 0 DFADHO CCc1ccc([C@@H](CNC(=O)C2([NH3+])CCCCC2)N(C)C)cc1 ZINC000236958586 202093327 /nfs/dbraw/zinc/09/33/27/202093327.db2.gz VLHDYLXKPANXNY-QGZVFWFLSA-N 1 3 317.477 2.630 20 0 DFADHO CN1CCC[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000121227073 398786723 /nfs/dbraw/zinc/78/67/23/398786723.db2.gz GEKHBGJFXYBZJS-SFHVURJKSA-N 1 3 301.478 2.582 20 0 DFADHO C[NH+](C)CC[C@@H](NC(=O)C[C@H](N)c1ccccc1)C(C)(C)C ZINC000236982826 202106674 /nfs/dbraw/zinc/10/66/74/202106674.db2.gz JHJBNPPVROCHHF-JKSUJKDBSA-N 1 3 305.466 2.559 20 0 DFADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000237050962 202136317 /nfs/dbraw/zinc/13/63/17/202136317.db2.gz YEJMXPZUXCFQSM-KRWDZBQOSA-N 1 3 311.429 2.565 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000237057666 202137185 /nfs/dbraw/zinc/13/71/85/202137185.db2.gz BCRGVLBXZQIKNC-ZGRYLRDCSA-N 1 3 309.498 2.519 20 0 DFADHO Cc1ccc([C@H](CNC(=O)CCCCCC[NH3+])N(C)C)cc1 ZINC000237135111 202162544 /nfs/dbraw/zinc/16/25/44/202162544.db2.gz RXZXDNPXEDEEJS-KRWDZBQOSA-N 1 3 305.466 2.623 20 0 DFADHO CCC[C@@H](C)[C@@H]1CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135348845 283216372 /nfs/dbraw/zinc/21/63/72/283216372.db2.gz CYFRDXYDHAQKTE-AEFFLSMTSA-N 1 3 323.525 2.876 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)Cn1cccn1 ZINC000137976305 283255658 /nfs/dbraw/zinc/25/56/58/283255658.db2.gz ZHCWSRHPCWJOOO-MRXNPFEDSA-N 1 3 300.450 2.903 20 0 DFADHO [NH2+]=C(NC[C@@H]1CCCN1CCc1ccccc1)Nc1ccccn1 ZINC000365858462 283262954 /nfs/dbraw/zinc/26/29/54/283262954.db2.gz BRCVGPOESVJNLM-KRWDZBQOSA-N 1 3 323.444 2.725 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+]CCCOCC)CC1 ZINC000151288232 283279839 /nfs/dbraw/zinc/27/98/39/283279839.db2.gz GVJQUUTUCUMPRD-UHFFFAOYSA-N 1 3 319.493 2.735 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC1)CCC2 ZINC000594491128 398808098 /nfs/dbraw/zinc/80/80/98/398808098.db2.gz WGORRDSAXNTLPW-SFHVURJKSA-N 1 3 316.445 2.926 20 0 DFADHO CC[NH+]1CCC(CCNCc2cc(C(=O)OC)oc2C)CC1 ZINC000594608976 398831690 /nfs/dbraw/zinc/83/16/90/398831690.db2.gz OZHMIZVDYGPNCI-UHFFFAOYSA-N 1 3 308.422 2.586 20 0 DFADHO CC[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000130321346 398843710 /nfs/dbraw/zinc/84/37/10/398843710.db2.gz RFMXQEBOQLZMEN-RVKKMQEKSA-N 1 3 317.477 2.518 20 0 DFADHO CC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000130321346 398843713 /nfs/dbraw/zinc/84/37/13/398843713.db2.gz RFMXQEBOQLZMEN-RVKKMQEKSA-N 1 3 317.477 2.518 20 0 DFADHO CC[N@H+](CCCN[C@H](C)[C@@H]1C[C@H]1C(=O)OC)C1CCCCC1 ZINC000594944684 398878648 /nfs/dbraw/zinc/87/86/48/398878648.db2.gz BCLCFDXBWCIUOW-HYVNUMGLSA-N 1 3 310.482 2.818 20 0 DFADHO CC[N@@H+](CCCN[C@H](C)[C@@H]1C[C@H]1C(=O)OC)C1CCCCC1 ZINC000594944684 398878650 /nfs/dbraw/zinc/87/86/50/398878650.db2.gz BCLCFDXBWCIUOW-HYVNUMGLSA-N 1 3 310.482 2.818 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000468551769 299280171 /nfs/dbraw/zinc/28/01/71/299280171.db2.gz FBLRNHOXRLGQKV-OALUTQOASA-N 1 3 316.489 2.834 20 0 DFADHO Cc1cccc(C)c1CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180962935 199233875 /nfs/dbraw/zinc/23/38/75/199233875.db2.gz CLMDANKCROKKIG-UHFFFAOYSA-N 1 3 303.494 2.761 20 0 DFADHO Cc1cccc(C)c1CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180962935 199233877 /nfs/dbraw/zinc/23/38/77/199233877.db2.gz CLMDANKCROKKIG-UHFFFAOYSA-N 1 3 303.494 2.761 20 0 DFADHO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000186789315 200010925 /nfs/dbraw/zinc/01/09/25/200010925.db2.gz WOBKMHWOVIVDIS-OUUBHVDSSA-N 1 3 314.473 2.790 20 0 DFADHO CCC[NH+]1CCC(NCC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC000595101352 398905330 /nfs/dbraw/zinc/90/53/30/398905330.db2.gz ZUGPBCKXRWEULF-UHFFFAOYSA-N 1 3 310.482 2.962 20 0 DFADHO C[NH+]1CCC(O)(CNCc2ccc(Cl)cc2Cl)CC1 ZINC000077450368 398904657 /nfs/dbraw/zinc/90/46/57/398904657.db2.gz NSNCNTRZVXLFCS-UHFFFAOYSA-N 1 3 303.233 2.540 20 0 DFADHO c1cc(CCCN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000281015202 216023822 /nfs/dbraw/zinc/02/38/22/216023822.db2.gz YYHAASUFGLLRTI-QZTJIDSGSA-N 1 3 300.446 2.771 20 0 DFADHO c1cc(CCCN[C@@H]2CC[N@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000281015202 216023824 /nfs/dbraw/zinc/02/38/24/216023824.db2.gz YYHAASUFGLLRTI-QZTJIDSGSA-N 1 3 300.446 2.771 20 0 DFADHO c1cc(CCCN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000281015200 216024211 /nfs/dbraw/zinc/02/42/11/216024211.db2.gz YYHAASUFGLLRTI-MSOLQXFVSA-N 1 3 300.446 2.771 20 0 DFADHO c1cc(CCCN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000281015200 216024213 /nfs/dbraw/zinc/02/42/13/216024213.db2.gz YYHAASUFGLLRTI-MSOLQXFVSA-N 1 3 300.446 2.771 20 0 DFADHO COC(=O)CC1CCC([NH2+]CCCN2CCCC[C@@H]2C)CC1 ZINC000599021990 398909209 /nfs/dbraw/zinc/90/92/09/398909209.db2.gz MRFSSFLPNKRCNW-GTPINHCMSA-N 1 3 310.482 2.962 20 0 DFADHO C[C@H](CC(=O)N(CCN(C)C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237514182 202267615 /nfs/dbraw/zinc/26/76/15/202267615.db2.gz BEVGQHALLJLQPH-IAGOWNOFSA-N 1 3 317.477 2.607 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000237870648 202375575 /nfs/dbraw/zinc/37/55/75/202375575.db2.gz XAQSUBNKXCIKRP-KFWWJZLASA-N 1 3 321.490 2.519 20 0 DFADHO Cc1ccc(F)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000189288332 200376479 /nfs/dbraw/zinc/37/64/79/200376479.db2.gz WBONYYBFJCGMTQ-UHFFFAOYSA-N 1 3 307.457 2.592 20 0 DFADHO C[C@@H]([NH2+]CCN1CC=CCC1)c1cccc(OCCN(C)C)c1 ZINC000281222610 216165363 /nfs/dbraw/zinc/16/53/63/216165363.db2.gz UDESWHRMSLGNND-QGZVFWFLSA-N 1 3 317.477 2.540 20 0 DFADHO C[C@@H]([NH2+]CCCCCCO)c1ccc(OCCN(C)C)cc1 ZINC000271886330 209295631 /nfs/dbraw/zinc/29/56/31/209295631.db2.gz QSFCDIZYWCZCQB-MRXNPFEDSA-N 1 3 308.466 2.830 20 0 DFADHO COc1ccccc1OCCN1CCC(CC[NH+](C)C)CC1 ZINC000056521729 398976447 /nfs/dbraw/zinc/97/64/47/398976447.db2.gz SDIVWJRLJSVIMP-UHFFFAOYSA-N 1 3 306.450 2.738 20 0 DFADHO Cc1ccc(NC(=O)CC[C@H]2CCC[NH2+]C2)c(CN(C)C)c1 ZINC000621648960 399008618 /nfs/dbraw/zinc/00/86/18/399008618.db2.gz CBRZKMJZVCRSOG-OAHLLOKOSA-N 1 3 303.450 2.775 20 0 DFADHO CCN(CC)CCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC000595735073 399063397 /nfs/dbraw/zinc/06/33/97/399063397.db2.gz VKANTFAMCQMWEM-YESZJQIVSA-N 1 3 310.482 2.772 20 0 DFADHO CCN(CC)CCC[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC000595735073 399063398 /nfs/dbraw/zinc/06/33/98/399063398.db2.gz VKANTFAMCQMWEM-YESZJQIVSA-N 1 3 310.482 2.772 20 0 DFADHO Cc1ccccc1NC(=O)CCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293106928 223399416 /nfs/dbraw/zinc/39/94/16/223399416.db2.gz YDOHYEVQKYGSHM-LJQANCHMSA-N 1 3 315.461 2.741 20 0 DFADHO Cc1ccccc1NC(=O)CCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293106928 223399419 /nfs/dbraw/zinc/39/94/19/223399419.db2.gz YDOHYEVQKYGSHM-LJQANCHMSA-N 1 3 315.461 2.741 20 0 DFADHO [NH3+]C1CCC(NCc2ccc(F)cc2Br)CC1 ZINC000220816570 201579995 /nfs/dbraw/zinc/57/99/95/201579995.db2.gz AKBKSDNYPKYHOU-UHFFFAOYSA-N 1 3 301.203 2.948 20 0 DFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCSCC1 ZINC000253232616 296122050 /nfs/dbraw/zinc/12/20/50/296122050.db2.gz FYKVXWGFWMCCDS-BZUAXINKSA-N 1 3 314.539 2.997 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CCOCC3CCC3)CC2)C[C@@H](C)O1 ZINC000419192536 296127455 /nfs/dbraw/zinc/12/74/55/296127455.db2.gz PBXBZGARHZNTFG-IAGOWNOFSA-N 1 3 324.509 2.624 20 0 DFADHO CCC[C@](C)(N)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545209 203076436 /nfs/dbraw/zinc/07/64/36/203076436.db2.gz JQMSQMHRUDDNDJ-SUMDDJOVSA-N 1 3 317.477 2.531 20 0 DFADHO CCC[C@](C)(N)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261545209 203076438 /nfs/dbraw/zinc/07/64/38/203076438.db2.gz JQMSQMHRUDDNDJ-SUMDDJOVSA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)CCC[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000338431074 284112111 /nfs/dbraw/zinc/11/21/11/284112111.db2.gz OJXPPEMIJBBVLQ-UHFFFAOYSA-N 1 3 303.494 2.960 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000261713350 203099669 /nfs/dbraw/zinc/09/96/69/203099669.db2.gz LGSKEMJQGFQKIH-WMZOPIPTSA-N 1 3 317.477 2.575 20 0 DFADHO CCC[C@@](C)(N)C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000261969718 203162854 /nfs/dbraw/zinc/16/28/54/203162854.db2.gz PWMYPBGHPCGBTJ-SJLPKXTDSA-N 1 3 305.466 2.703 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262317486 203259487 /nfs/dbraw/zinc/25/94/87/203259487.db2.gz CFOIJUMPBOPQCI-HOCLYGCPSA-N 1 3 303.450 2.855 20 0 DFADHO CCN(C)c1ccc(CNCCCCC[NH+]2CCCC2)cn1 ZINC000339500045 284143465 /nfs/dbraw/zinc/14/34/65/284143465.db2.gz LOTBTPAWXPHRKA-UHFFFAOYSA-N 1 3 304.482 2.893 20 0 DFADHO NC1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCCC1 ZINC000262654114 203366761 /nfs/dbraw/zinc/36/67/61/203366761.db2.gz SRQHHXBDGRLGNI-UHFFFAOYSA-N 1 3 315.461 2.560 20 0 DFADHO CCC(CC)(CNC(=O)C1(N)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000262709686 203388790 /nfs/dbraw/zinc/38/87/90/203388790.db2.gz PEPGMKYSFKPJDH-CQSZACIVSA-N 1 3 303.450 2.504 20 0 DFADHO CCC(CC)(CNC(=O)C1(N)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000262709683 203389718 /nfs/dbraw/zinc/38/97/18/203389718.db2.gz PEPGMKYSFKPJDH-AWEZNQCLSA-N 1 3 303.450 2.504 20 0 DFADHO CCC[C@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)N(C)C ZINC000094128090 193346163 /nfs/dbraw/zinc/34/61/63/193346163.db2.gz SRDMHNDOTQREEQ-GOSISDBHSA-N 1 3 319.493 2.873 20 0 DFADHO CCC[C@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)N(C)C ZINC000094128090 193346164 /nfs/dbraw/zinc/34/61/64/193346164.db2.gz SRDMHNDOTQREEQ-GOSISDBHSA-N 1 3 319.493 2.873 20 0 DFADHO C[C@@H](C(=O)NCCC[NH2+]C1CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000419909512 296151312 /nfs/dbraw/zinc/15/13/12/296151312.db2.gz MHMBIRKPTHAOIQ-OAGGEKHMSA-N 1 3 309.498 2.676 20 0 DFADHO Cn1cc(-c2noc(C3CCC[N@H+](Cc4ccccc4)C3)n2)cn1 ZINC000264599489 204020782 /nfs/dbraw/zinc/02/07/82/204020782.db2.gz KVHKWVLOHOTLSL-OAHLLOKOSA-N 1 3 323.400 2.850 20 0 DFADHO Cn1cc(-c2noc(C3CCC[N@@H+](Cc4ccccc4)C3)n2)cn1 ZINC000264599489 204020788 /nfs/dbraw/zinc/02/07/88/204020788.db2.gz KVHKWVLOHOTLSL-OAHLLOKOSA-N 1 3 323.400 2.850 20 0 DFADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420279924 296168660 /nfs/dbraw/zinc/16/86/60/296168660.db2.gz XTXASAQXVIHMTO-DOMZBBRYSA-N 1 3 309.841 2.870 20 0 DFADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420279924 296168661 /nfs/dbraw/zinc/16/86/61/296168661.db2.gz XTXASAQXVIHMTO-DOMZBBRYSA-N 1 3 309.841 2.870 20 0 DFADHO Cc1cc(N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c2ccccc2n1 ZINC000420276608 296168343 /nfs/dbraw/zinc/16/83/43/296168343.db2.gz PHJWZSFSWDVRLK-OAHLLOKOSA-N 1 3 311.429 2.735 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccnc3ccccc32)CC1 ZINC000264824712 204186298 /nfs/dbraw/zinc/18/62/98/204186298.db2.gz YGLCLCMZYZNTLY-KRWDZBQOSA-N 1 3 324.472 2.841 20 0 DFADHO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccnc3ccccc32)CC1 ZINC000264824712 204186300 /nfs/dbraw/zinc/18/63/00/204186300.db2.gz YGLCLCMZYZNTLY-KRWDZBQOSA-N 1 3 324.472 2.841 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)[C@H]1C ZINC000596058071 399157544 /nfs/dbraw/zinc/15/75/44/399157544.db2.gz BXWVKOQSMNTXJV-RANZSIQMSA-N 1 3 322.493 2.676 20 0 DFADHO CCN(CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1c(C)cccc1C ZINC000420300253 296171295 /nfs/dbraw/zinc/17/12/95/296171295.db2.gz JSYOIFYVKKFJJY-QGZVFWFLSA-N 1 3 317.477 2.954 20 0 DFADHO CCN(CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1c(C)cccc1C ZINC000420300250 296171380 /nfs/dbraw/zinc/17/13/80/296171380.db2.gz JSYOIFYVKKFJJY-KRWDZBQOSA-N 1 3 317.477 2.954 20 0 DFADHO C[C@H]([NH3+])C1CCN(CCOc2ccc(Cl)c(F)c2)CC1 ZINC000420304708 296172147 /nfs/dbraw/zinc/17/21/47/296172147.db2.gz YJVPOXSCLATMAP-NSHDSACASA-N 1 3 300.805 2.917 20 0 DFADHO CC(C)[N@@H+](C[C@@H](O)COc1cccc2ccccc21)C[C@H](C)N ZINC000420302979 296172203 /nfs/dbraw/zinc/17/22/03/296172203.db2.gz KEHONDIVGLGETH-DOTOQJQBSA-N 1 3 316.445 2.637 20 0 DFADHO CC(C)[N@H+](C[C@@H](O)COc1cccc2ccccc21)C[C@H](C)N ZINC000420302979 296172204 /nfs/dbraw/zinc/17/22/04/296172204.db2.gz KEHONDIVGLGETH-DOTOQJQBSA-N 1 3 316.445 2.637 20 0 DFADHO CCCN(CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccccc1C ZINC000420300474 296171826 /nfs/dbraw/zinc/17/18/26/296171826.db2.gz HNUIBFFVVBEAAP-INIZCTEOSA-N 1 3 303.450 2.645 20 0 DFADHO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420315117 296173673 /nfs/dbraw/zinc/17/36/73/296173673.db2.gz ZRLRVCVQJLECSW-DBOLQNLKSA-N 1 3 324.468 2.795 20 0 DFADHO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420315117 296173675 /nfs/dbraw/zinc/17/36/75/296173675.db2.gz ZRLRVCVQJLECSW-DBOLQNLKSA-N 1 3 324.468 2.795 20 0 DFADHO CC(C)(C)[C@H](C[NH3+])NCCCc1nc(-c2ccccc2)no1 ZINC000420353927 296178846 /nfs/dbraw/zinc/17/88/46/296178846.db2.gz CKVXCLXOWZDKDS-AWEZNQCLSA-N 1 3 302.422 2.632 20 0 DFADHO c1ccc(CC[C@H]2CN(CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420358002 296179563 /nfs/dbraw/zinc/17/95/63/296179563.db2.gz IOSWLZKBRRWWLP-IBGZPJMESA-N 1 3 302.462 2.710 20 0 DFADHO c1ccc(CC[C@@H]2CN(CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364344 296180270 /nfs/dbraw/zinc/18/02/70/296180270.db2.gz QOIBFQRMLLSCBE-RBUKOAKNSA-N 1 3 302.462 2.710 20 0 DFADHO CC(C)(C)[C@@H](C[NH3+])NCCCc1nc(-c2cccs2)no1 ZINC000420365666 296180756 /nfs/dbraw/zinc/18/07/56/296180756.db2.gz QKLFLTFDINGCDM-GFCCVEGCSA-N 1 3 308.451 2.694 20 0 DFADHO Cc1cccc(OCCN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420372865 296181997 /nfs/dbraw/zinc/18/19/97/296181997.db2.gz FUYKIWYFBFXJPU-OALUTQOASA-N 1 3 318.461 2.592 20 0 DFADHO C[C@H](NCCN1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000420382108 296183388 /nfs/dbraw/zinc/18/33/88/296183388.db2.gz YEYSWWJWERRSNJ-JTQLQIEISA-N 1 3 320.239 2.688 20 0 DFADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420383281 296183931 /nfs/dbraw/zinc/18/39/31/296183931.db2.gz FNYDQPVJAIDGAZ-YSHGAJCASA-N 1 3 324.509 2.800 20 0 DFADHO COCc1cccc(OCC2(C[N@@H+]3C[C@@H](C)[C@H](N)C3)CCC2)c1 ZINC000420389666 296184722 /nfs/dbraw/zinc/18/47/22/296184722.db2.gz XTVCWPXFTJPOMV-CRAIPNDOSA-N 1 3 318.461 2.661 20 0 DFADHO COCc1cccc(OCC2(C[N@H+]3C[C@@H](C)[C@H](N)C3)CCC2)c1 ZINC000420389666 296184723 /nfs/dbraw/zinc/18/47/23/296184723.db2.gz XTVCWPXFTJPOMV-CRAIPNDOSA-N 1 3 318.461 2.661 20 0 DFADHO C[C@H]1CCN(CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000420395234 296185797 /nfs/dbraw/zinc/18/57/97/296185797.db2.gz DEUWYVKTZMLAOZ-STQMWFEESA-N 1 3 309.841 2.585 20 0 DFADHO COc1ccc([C@H](CN)C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)cc1 ZINC000420404622 296186967 /nfs/dbraw/zinc/18/69/67/296186967.db2.gz MKPOGJDPGKWXJH-BHIYHBOVSA-N 1 3 320.477 2.921 20 0 DFADHO Cc1cc(C)n(-c2ccc(CN3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2)n1 ZINC000420417296 296187841 /nfs/dbraw/zinc/18/78/41/296187841.db2.gz WHZCLHABHWWSJO-KDOFPFPSSA-N 1 3 312.461 2.906 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC23CCC3)C1 ZINC000282763392 217232772 /nfs/dbraw/zinc/23/27/72/217232772.db2.gz OKCPPZHNPGGQHX-ROUUACIJSA-N 1 3 300.446 2.676 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000266068579 205073890 /nfs/dbraw/zinc/07/38/90/205073890.db2.gz FDFQKCTVDVULDU-SFHVURJKSA-N 1 3 317.477 2.695 20 0 DFADHO Cn1cc(-c2ccc(C[N@H+](C)CC3CCN(C)CC3)s2)cn1 ZINC000282788287 217250459 /nfs/dbraw/zinc/25/04/59/217250459.db2.gz LQXLHAHDOJSRPV-UHFFFAOYSA-N 1 3 318.490 2.922 20 0 DFADHO Cn1cc(-c2ccc(C[N@@H+](C)CC3CCN(C)CC3)s2)cn1 ZINC000282788287 217250462 /nfs/dbraw/zinc/25/04/62/217250462.db2.gz LQXLHAHDOJSRPV-UHFFFAOYSA-N 1 3 318.490 2.922 20 0 DFADHO CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000342727740 284395605 /nfs/dbraw/zinc/39/56/05/284395605.db2.gz IAHGFIPXXQAUCQ-SJLPKXTDSA-N 1 3 320.477 2.973 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]C2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000267545282 206136416 /nfs/dbraw/zinc/13/64/16/206136416.db2.gz BLCKTJUHIJCRCQ-LPHOPBHVSA-N 1 3 301.478 2.723 20 0 DFADHO C[C@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)N1CCCCCC1 ZINC000608358143 399255554 /nfs/dbraw/zinc/25/55/54/399255554.db2.gz VEULJKWOHBAAGU-MRXNPFEDSA-N 1 3 309.498 2.584 20 0 DFADHO C[C@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)N1CCCCCC1 ZINC000608358143 399255557 /nfs/dbraw/zinc/25/55/57/399255557.db2.gz VEULJKWOHBAAGU-MRXNPFEDSA-N 1 3 309.498 2.584 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000421077046 296233517 /nfs/dbraw/zinc/23/35/17/296233517.db2.gz BSLZXRDMYYOHDT-UHFFFAOYSA-N 1 3 318.465 2.743 20 0 DFADHO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C1(C)C ZINC000608579146 399276417 /nfs/dbraw/zinc/27/64/17/399276417.db2.gz CCWSLEARRKMBNJ-MJGOQNOKSA-N 1 3 320.477 2.920 20 0 DFADHO CC[NH2+]CC1CCN(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000623065697 399322332 /nfs/dbraw/zinc/32/23/32/399322332.db2.gz LLGGNWHHGWPTSL-UHFFFAOYSA-N 1 3 318.465 2.602 20 0 DFADHO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(CN(C)C)cc1 ZINC000274012451 211269702 /nfs/dbraw/zinc/26/97/02/211269702.db2.gz GYDCNSYHJALAQN-UHFFFAOYSA-N 1 3 319.493 2.942 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+][C@H]3CCSC3)cc2)CC1 ZINC000284451494 218031952 /nfs/dbraw/zinc/03/19/52/218031952.db2.gz UJOFGRXQAWECGC-HNNXBMFYSA-N 1 3 306.475 2.755 20 0 DFADHO C[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2ccccc21 ZINC000623347516 399367914 /nfs/dbraw/zinc/36/79/14/399367914.db2.gz CMHIFSIACOYSMF-RDJZCZTQSA-N 1 3 301.478 2.900 20 0 DFADHO C[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2ccccc21 ZINC000623347516 399367918 /nfs/dbraw/zinc/36/79/18/399367918.db2.gz CMHIFSIACOYSMF-RDJZCZTQSA-N 1 3 301.478 2.900 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2ccccc21 ZINC000623347515 399368141 /nfs/dbraw/zinc/36/81/41/399368141.db2.gz CMHIFSIACOYSMF-NVXWUHKLSA-N 1 3 301.478 2.900 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2ccccc21 ZINC000623347515 399368144 /nfs/dbraw/zinc/36/81/44/399368144.db2.gz CMHIFSIACOYSMF-NVXWUHKLSA-N 1 3 301.478 2.900 20 0 DFADHO CN(CCC[NH2+][C@@H]1CCN(C)C(C)(C)C1)Cc1ccccc1 ZINC000623343377 399367003 /nfs/dbraw/zinc/36/70/03/399367003.db2.gz PCYNOFPHSFRLHO-GOSISDBHSA-N 1 3 303.494 2.971 20 0 DFADHO CN(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623370437 399374458 /nfs/dbraw/zinc/37/44/58/399374458.db2.gz KAVVDHMBBCFDEJ-QZTJIDSGSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)C[C@@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623370437 399374459 /nfs/dbraw/zinc/37/44/59/399374459.db2.gz KAVVDHMBBCFDEJ-QZTJIDSGSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)C[C@@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623370437 399374460 /nfs/dbraw/zinc/37/44/60/399374460.db2.gz KAVVDHMBBCFDEJ-QZTJIDSGSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)CCOc1ccccc1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623385589 399377496 /nfs/dbraw/zinc/37/74/96/399377496.db2.gz SSFOKYIDGFTKCK-KRWDZBQOSA-N 1 3 319.493 2.589 20 0 DFADHO CN(C)CCOc1ccccc1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623385589 399377498 /nfs/dbraw/zinc/37/74/98/399377498.db2.gz SSFOKYIDGFTKCK-KRWDZBQOSA-N 1 3 319.493 2.589 20 0 DFADHO COc1cccc(O[C@@H](C)CN[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623432146 399388016 /nfs/dbraw/zinc/38/80/16/399388016.db2.gz GIRLRNJVUNTHNT-GJZGRUSLSA-N 1 3 306.450 2.925 20 0 DFADHO COc1cccc(O[C@@H](C)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623432146 399388019 /nfs/dbraw/zinc/38/80/19/399388019.db2.gz GIRLRNJVUNTHNT-GJZGRUSLSA-N 1 3 306.450 2.925 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1CN ZINC000422560990 296312732 /nfs/dbraw/zinc/31/27/32/296312732.db2.gz IIFVOGOPFNIHRP-RKVPGOIHSA-N 1 3 302.462 2.859 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1CN ZINC000422560990 296312734 /nfs/dbraw/zinc/31/27/34/296312734.db2.gz IIFVOGOPFNIHRP-RKVPGOIHSA-N 1 3 302.462 2.859 20 0 DFADHO C[C@@H]1C[C@@H](C)N(CCCc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000422560990 296312735 /nfs/dbraw/zinc/31/27/35/296312735.db2.gz IIFVOGOPFNIHRP-RKVPGOIHSA-N 1 3 302.462 2.859 20 0 DFADHO C[C@@H]([NH2+]CCOCC1CC1)c1ccc(OCCN(C)C)cc1 ZINC000268854363 207021629 /nfs/dbraw/zinc/02/16/29/207021629.db2.gz COXXBARZSCTDAI-OAHLLOKOSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@@H](NCCOCC1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268854363 207021633 /nfs/dbraw/zinc/02/16/33/207021633.db2.gz COXXBARZSCTDAI-OAHLLOKOSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)NC(C)(C)CC[NH3+])c1ccccc1 ZINC000422592113 296314883 /nfs/dbraw/zinc/31/48/83/296314883.db2.gz CWLGWNRMPJGQJW-CQSZACIVSA-N 1 3 320.481 2.542 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475526 399397530 /nfs/dbraw/zinc/39/75/30/399397530.db2.gz PZAZQMUGPCOEAE-SQNIBIBYSA-N 1 3 301.478 2.894 20 0 DFADHO CN1CC[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475526 399397532 /nfs/dbraw/zinc/39/75/32/399397532.db2.gz PZAZQMUGPCOEAE-SQNIBIBYSA-N 1 3 301.478 2.894 20 0 DFADHO CN1CC[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475526 399397534 /nfs/dbraw/zinc/39/75/34/399397534.db2.gz PZAZQMUGPCOEAE-SQNIBIBYSA-N 1 3 301.478 2.894 20 0 DFADHO CCN(CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000268895305 207065552 /nfs/dbraw/zinc/06/55/52/207065552.db2.gz ZUVPCYTYIWSCPY-FXAWDEMLSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@H+](CCCOCCc2ccccc2)C[C@@H]1CN ZINC000422625263 296316572 /nfs/dbraw/zinc/31/65/72/296316572.db2.gz BBZZKSNSMNVIBY-LMMKCTJWSA-N 1 3 304.478 2.941 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@@H+](CCCOCCc2ccccc2)C[C@@H]1CN ZINC000422625263 296316575 /nfs/dbraw/zinc/31/65/75/296316575.db2.gz BBZZKSNSMNVIBY-LMMKCTJWSA-N 1 3 304.478 2.941 20 0 DFADHO C[C@@H]1C[C@@H](C)N(CCCOCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000422625263 296316576 /nfs/dbraw/zinc/31/65/76/296316576.db2.gz BBZZKSNSMNVIBY-LMMKCTJWSA-N 1 3 304.478 2.941 20 0 DFADHO Cn1nc(CCN[C@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc21 ZINC000623495622 399401731 /nfs/dbraw/zinc/40/17/31/399401731.db2.gz KNKYGYMVZYFCNW-AWEZNQCLSA-N 1 3 300.450 2.578 20 0 DFADHO Cn1nc(CCN[C@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000623495622 399401733 /nfs/dbraw/zinc/40/17/33/399401733.db2.gz KNKYGYMVZYFCNW-AWEZNQCLSA-N 1 3 300.450 2.578 20 0 DFADHO CC[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@H]1CCCCN1 ZINC000422687312 296317948 /nfs/dbraw/zinc/31/79/48/296317948.db2.gz BLSUVIORONYOGH-RBUKOAKNSA-N 1 3 316.493 2.556 20 0 DFADHO CC[C@H](NC1CCN(Cc2ccncc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422687312 296317949 /nfs/dbraw/zinc/31/79/49/296317949.db2.gz BLSUVIORONYOGH-RBUKOAKNSA-N 1 3 316.493 2.556 20 0 DFADHO CCN(CC[NH2+][C@@H]1CCN(C)C(C)(C)C1)CCC(F)(F)F ZINC000623506790 399404182 /nfs/dbraw/zinc/40/41/82/399404182.db2.gz HXUSZMRSQNYLOT-CYBMUJFWSA-N 1 3 309.420 2.723 20 0 DFADHO CCN(CCN[C@@H]1CC[N@H+](C)C(C)(C)C1)CCC(F)(F)F ZINC000623506790 399404186 /nfs/dbraw/zinc/40/41/86/399404186.db2.gz HXUSZMRSQNYLOT-CYBMUJFWSA-N 1 3 309.420 2.723 20 0 DFADHO CCN(CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1)CCC(F)(F)F ZINC000623506790 399404187 /nfs/dbraw/zinc/40/41/87/399404187.db2.gz HXUSZMRSQNYLOT-CYBMUJFWSA-N 1 3 309.420 2.723 20 0 DFADHO C[C@H](NCCc1cc(Br)ccc1F)[C@H]1CC[NH2+]C1 ZINC000422709951 296319679 /nfs/dbraw/zinc/31/96/79/296319679.db2.gz ZZSHXKIGBUAWDW-JQWIXIFHSA-N 1 3 315.230 2.718 20 0 DFADHO CC(=O)Nc1ccc(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422708694 296319224 /nfs/dbraw/zinc/31/92/24/296319224.db2.gz CGPFMUFUPKHYOW-RTBURBONSA-N 1 3 309.413 2.922 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)N1CCc2ccccc2C1 ZINC000422711886 296320356 /nfs/dbraw/zinc/32/03/56/296320356.db2.gz HQFAORKSQWIOKK-AYBZRNKSSA-N 1 3 301.478 2.540 20 0 DFADHO C[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422711886 296320358 /nfs/dbraw/zinc/32/03/58/296320358.db2.gz HQFAORKSQWIOKK-AYBZRNKSSA-N 1 3 301.478 2.540 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@H](CO)c2ccc(Cl)cc2)CC1(C)C ZINC000623525248 399408138 /nfs/dbraw/zinc/40/81/38/399408138.db2.gz CTOPGBUEBVMTQB-HOCLYGCPSA-N 1 3 310.869 2.878 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@H](CO)c2ccc(Cl)cc2)CC1(C)C ZINC000623525248 399408140 /nfs/dbraw/zinc/40/81/40/399408140.db2.gz CTOPGBUEBVMTQB-HOCLYGCPSA-N 1 3 310.869 2.878 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000422715562 296320437 /nfs/dbraw/zinc/32/04/37/296320437.db2.gz SGCDZMNHCACKBO-ZENOOKHLSA-N 1 3 310.869 2.960 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC(C)(C)c1ccccc1Cl ZINC000422715562 296320438 /nfs/dbraw/zinc/32/04/38/296320438.db2.gz SGCDZMNHCACKBO-ZENOOKHLSA-N 1 3 310.869 2.960 20 0 DFADHO C[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCc2ccccc21 ZINC000422709729 296319750 /nfs/dbraw/zinc/31/97/50/296319750.db2.gz DVHOPVQZCUIBLY-FUHIMQAGSA-N 1 3 323.484 2.986 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCC(=O)NC1CCCCC1 ZINC000422715493 296320578 /nfs/dbraw/zinc/32/05/78/296320578.db2.gz MIWFVOHQUGJBLV-DOTOQJQBSA-N 1 3 309.498 2.726 20 0 DFADHO COc1ccc(CCC[NH2+][C@H]2CCNCC[C@@H]2C)cc1OC ZINC000422717866 296320796 /nfs/dbraw/zinc/32/07/96/296320796.db2.gz KSVXMNHYQDGOEZ-HOCLYGCPSA-N 1 3 306.450 2.614 20 0 DFADHO C[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])N1CCc2ccccc2C1 ZINC000422720761 296321457 /nfs/dbraw/zinc/32/14/57/296321457.db2.gz TWCKNILJWJPIRK-ATZDWAIDSA-N 1 3 301.478 2.683 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1ccc(Cl)cc1Cl ZINC000422726303 296322001 /nfs/dbraw/zinc/32/20/01/296322001.db2.gz DKPSQQGEPVWMDH-XEGUGMAKSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422726303 296322003 /nfs/dbraw/zinc/32/20/03/296322003.db2.gz DKPSQQGEPVWMDH-XEGUGMAKSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](N[C@H](CN1CCc2ccccc2C1)C(C)(C)C)C1C[NH2+]C1 ZINC000422725376 296322035 /nfs/dbraw/zinc/32/20/35/296322035.db2.gz BFEBMHKJFMPCRT-HNAYVOBHSA-N 1 3 315.505 2.657 20 0 DFADHO COc1ccc([C@H](NC[C@@H](C)N(C)C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422732690 296323424 /nfs/dbraw/zinc/32/34/24/296323424.db2.gz AGZUIQWGJOUJIN-ZMYBRWDISA-N 1 3 317.477 2.561 20 0 DFADHO COc1cccc([C@H](C[NH2+][C@H]2CCCCC[C@H]2N)N(C)C)c1 ZINC000422733763 296323530 /nfs/dbraw/zinc/32/35/30/296323530.db2.gz ROQHDBSFUISVQL-SQNIBIBYSA-N 1 3 305.466 2.548 20 0 DFADHO COc1cccc([C@H](CN[C@H]2CCCCC[C@H]2[NH3+])N(C)C)c1 ZINC000422733763 296323531 /nfs/dbraw/zinc/32/35/31/296323531.db2.gz ROQHDBSFUISVQL-SQNIBIBYSA-N 1 3 305.466 2.548 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623656543 399436496 /nfs/dbraw/zinc/43/64/96/399436496.db2.gz WNKPQWDWXVMHEJ-RLLQIKCJSA-N 1 3 315.505 2.828 20 0 DFADHO CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000269054469 207202662 /nfs/dbraw/zinc/20/26/62/207202662.db2.gz ITSVDSYZEGWIRU-CVEARBPZSA-N 1 3 308.466 2.686 20 0 DFADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137067 207267369 /nfs/dbraw/zinc/26/73/69/207267369.db2.gz UHXCYVJMQQWIHV-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137067 207267373 /nfs/dbraw/zinc/26/73/73/207267373.db2.gz UHXCYVJMQQWIHV-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137067 207267377 /nfs/dbraw/zinc/26/73/77/207267377.db2.gz UHXCYVJMQQWIHV-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137067 207267379 /nfs/dbraw/zinc/26/73/79/207267379.db2.gz UHXCYVJMQQWIHV-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO C[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)N1CCCCCC1 ZINC000269172638 207293869 /nfs/dbraw/zinc/29/38/69/207293869.db2.gz AJPNGFZVXYLNQR-CQSZACIVSA-N 1 3 301.434 2.535 20 0 DFADHO C[C@@H](NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422734371 296323550 /nfs/dbraw/zinc/32/35/50/296323550.db2.gz CQNYNUHPGGPHCA-NEWSRXKRSA-N 1 3 301.478 2.771 20 0 DFADHO CCOC(=O)C1([C@@H](C)NCc2ccccc2Cl)CC[NH2+]CC1 ZINC000422739130 296324119 /nfs/dbraw/zinc/32/41/19/296324119.db2.gz ZWXGSWUDNRGFKZ-CYBMUJFWSA-N 1 3 324.852 2.751 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2cccc(Br)c2)CC1 ZINC000422743754 296324959 /nfs/dbraw/zinc/32/49/59/296324959.db2.gz JGSDDLDABFTFNL-ZIAGYGMSSA-N 1 3 309.251 2.950 20 0 DFADHO CC[C@H](NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422747151 296325751 /nfs/dbraw/zinc/32/57/51/296325751.db2.gz YAUIVVAGUWOURO-QYZOEREBSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@@H](c1ccccc1)N1CCC([NH2+][C@@H]2CNCC[C@H]2C)CC1 ZINC000422748408 296325789 /nfs/dbraw/zinc/32/57/89/296325789.db2.gz UJVCILPAADEIDI-JTDSTZFVSA-N 1 3 301.478 2.800 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000269234196 207359057 /nfs/dbraw/zinc/35/90/57/207359057.db2.gz FKWKGESJOJXXEX-WMZOPIPTSA-N 1 3 319.493 2.951 20 0 DFADHO C[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000377633104 296326734 /nfs/dbraw/zinc/32/67/34/296326734.db2.gz UVFHYBGRLHPFGT-ZHALLVOQSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000377633104 296326735 /nfs/dbraw/zinc/32/67/35/296326735.db2.gz UVFHYBGRLHPFGT-ZHALLVOQSA-N 1 3 307.526 2.913 20 0 DFADHO COc1ccccc1[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])N(C)C ZINC000422748951 296326219 /nfs/dbraw/zinc/32/62/19/296326219.db2.gz WVPDYAWEPAGHFO-ZACQAIPSSA-N 1 3 305.466 2.548 20 0 DFADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCCCC[C@H]1N)N(C)C ZINC000422748951 296326220 /nfs/dbraw/zinc/32/62/20/296326220.db2.gz WVPDYAWEPAGHFO-ZACQAIPSSA-N 1 3 305.466 2.548 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2CCC[C@H]2C[NH3+])N2CCCC2)c1 ZINC000422751079 296326474 /nfs/dbraw/zinc/32/64/74/296326474.db2.gz CCHKZRXMGJJIRR-UHOSZYNNSA-N 1 3 317.477 2.549 20 0 DFADHO COc1cccc([C@H](CN[C@H]2CCC[C@H]2C[NH3+])N2CCCC2)c1 ZINC000422751080 296326623 /nfs/dbraw/zinc/32/66/23/296326623.db2.gz CCHKZRXMGJJIRR-WDSOQIARSA-N 1 3 317.477 2.549 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000422751890 296326665 /nfs/dbraw/zinc/32/66/65/296326665.db2.gz DEPQUAGYJBMVEF-IOMROCGXSA-N 1 3 323.484 2.809 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000422751890 296326667 /nfs/dbraw/zinc/32/66/67/296326667.db2.gz DEPQUAGYJBMVEF-IOMROCGXSA-N 1 3 323.484 2.809 20 0 DFADHO c1ccc(OCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422756091 296327368 /nfs/dbraw/zinc/32/73/68/296327368.db2.gz LGIQTJZULBFODE-ICSRJNTNSA-N 1 3 324.424 2.911 20 0 DFADHO COc1ccc([C@H](CN[C@@H]2CCC[C@H]2[NH3+])N2CCCCC2)cc1 ZINC000422755441 296327417 /nfs/dbraw/zinc/32/74/17/296327417.db2.gz HSRVYHJGYIUCDT-QRVBRYPASA-N 1 3 317.477 2.692 20 0 DFADHO COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2N)N2CCCCC2)cc1 ZINC000422755441 296327418 /nfs/dbraw/zinc/32/74/18/296327418.db2.gz HSRVYHJGYIUCDT-QRVBRYPASA-N 1 3 317.477 2.692 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000422758717 296328138 /nfs/dbraw/zinc/32/81/38/296328138.db2.gz OFMBHUBWGKWIEW-LIRRHRJNSA-N 1 3 312.461 2.802 20 0 DFADHO O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000422758709 296328148 /nfs/dbraw/zinc/32/81/48/296328148.db2.gz OFGMXSOYUHYSRT-KZNAEPCWSA-N 1 3 321.509 2.680 20 0 DFADHO O=C1CCCCCN1CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422758709 296328149 /nfs/dbraw/zinc/32/81/49/296328149.db2.gz OFGMXSOYUHYSRT-KZNAEPCWSA-N 1 3 321.509 2.680 20 0 DFADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCCOC1CCCC1 ZINC000422759832 296328153 /nfs/dbraw/zinc/32/81/53/296328153.db2.gz KGAYYQYPACQDLS-HKUYNNGSSA-N 1 3 316.445 2.791 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000422756840 296327727 /nfs/dbraw/zinc/32/77/27/296327727.db2.gz CMGAEQGCBIRUQN-GJZGRUSLSA-N 1 3 304.482 2.764 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000422756840 296327730 /nfs/dbraw/zinc/32/77/30/296327730.db2.gz CMGAEQGCBIRUQN-GJZGRUSLSA-N 1 3 304.482 2.764 20 0 DFADHO COc1cccc(NC2CCN(C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000346827216 284955788 /nfs/dbraw/zinc/95/57/88/284955788.db2.gz HWYRXYUMYDXOKV-HNNXBMFYSA-N 1 3 303.450 2.571 20 0 DFADHO CC[C@H](NCC1(N2CCOCC2)CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422763446 296329014 /nfs/dbraw/zinc/32/90/14/296329014.db2.gz OQWMZYDJVBAQIE-ROUUACIJSA-N 1 3 323.525 2.532 20 0 DFADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)[C@@H]1CCCCN1 ZINC000422763446 296329016 /nfs/dbraw/zinc/32/90/16/296329016.db2.gz OQWMZYDJVBAQIE-ROUUACIJSA-N 1 3 323.525 2.532 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(c2cccc(C)n2)CC1)[C@@H]1CCCCN1 ZINC000422764754 296329287 /nfs/dbraw/zinc/32/92/87/296329287.db2.gz QFMXKJFBLGZBHB-MSOLQXFVSA-N 1 3 316.493 2.869 20 0 DFADHO CC[C@@H](NC1CCN(c2cccc(C)n2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422764754 296329289 /nfs/dbraw/zinc/32/92/89/296329289.db2.gz QFMXKJFBLGZBHB-MSOLQXFVSA-N 1 3 316.493 2.869 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCN1c2ccccc2C[C@H]1C ZINC000422764407 296329403 /nfs/dbraw/zinc/32/94/03/296329403.db2.gz OLWQHUQUPIJSLF-HUUCEWRRSA-N 1 3 324.472 2.951 20 0 DFADHO COc1ccc([C@H](CN[C@H]2CCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000422767146 296329813 /nfs/dbraw/zinc/32/98/13/296329813.db2.gz YEOXJIRJTLCSJO-NEWSRXKRSA-N 1 3 317.477 2.549 20 0 DFADHO Cc1cccc([C@H](C)CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422775952 296331038 /nfs/dbraw/zinc/33/10/38/296331038.db2.gz CRDPAYRBILRJCE-QXCFHYIPSA-N 1 3 302.462 2.845 20 0 DFADHO Cc1ccc(CSCCN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422774098 296331114 /nfs/dbraw/zinc/33/11/14/296331114.db2.gz VMOLRXDPJNQFJM-HYVNUMGLSA-N 1 3 308.491 2.570 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422778206 296331426 /nfs/dbraw/zinc/33/14/26/296331426.db2.gz ALHYJSJXGOJKHG-YYIAUSFCSA-N 1 3 318.461 2.973 20 0 DFADHO Cc1nccn1CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000422778412 296331466 /nfs/dbraw/zinc/33/14/66/296331466.db2.gz HKLICRUAPYSASD-RCCFBDPRSA-N 1 3 304.482 2.872 20 0 DFADHO C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)C1CNC1 ZINC000422779730 296331564 /nfs/dbraw/zinc/33/15/64/296331564.db2.gz GLATWVNVYNTINL-CYBMUJFWSA-N 1 3 307.869 2.502 20 0 DFADHO C[C@H](NCCc1csc(-c2ccccc2)n1)[C@H]1CC[NH2+]C1 ZINC000422785692 296332510 /nfs/dbraw/zinc/33/25/10/296332510.db2.gz NVKCNPOMGOFELM-ZFWWWQNUSA-N 1 3 301.459 2.940 20 0 DFADHO Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422785209 296332382 /nfs/dbraw/zinc/33/23/82/296332382.db2.gz MWYSPXFKJYHZNZ-CYBMUJFWSA-N 1 3 323.444 2.858 20 0 DFADHO c1ccc([C@H]2C[C@@H]([NH2+]CCCN3CCCCC3)CCN2)cc1 ZINC000422790348 296333197 /nfs/dbraw/zinc/33/31/97/296333197.db2.gz TVNFJQJHTYPSGB-RBUKOAKNSA-N 1 3 301.478 2.945 20 0 DFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422787860 296333019 /nfs/dbraw/zinc/33/30/19/296333019.db2.gz AGUCPEFRWKQYMV-UOAMXJAYSA-N 1 3 324.415 2.815 20 0 DFADHO c1ccc([C@@H]2C[C@@H]([NH2+]CCCN3CCCCC3)CCN2)cc1 ZINC000422790347 296333338 /nfs/dbraw/zinc/33/33/38/296333338.db2.gz TVNFJQJHTYPSGB-OALUTQOASA-N 1 3 301.478 2.945 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](C)Oc1cccc(Br)c1 ZINC000422796063 296334358 /nfs/dbraw/zinc/33/43/58/296334358.db2.gz IKQCWJFYNBRAOT-TUAOUCFPSA-N 1 3 315.255 2.932 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422798360 296334820 /nfs/dbraw/zinc/33/48/20/296334820.db2.gz QTWHDEWJXFJYLQ-GJZGRUSLSA-N 1 3 318.461 2.985 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422798360 296334822 /nfs/dbraw/zinc/33/48/22/296334822.db2.gz QTWHDEWJXFJYLQ-GJZGRUSLSA-N 1 3 318.461 2.985 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422796935 296334878 /nfs/dbraw/zinc/33/48/78/296334878.db2.gz ZMSWPUKTKHCXAE-KSSFIOAISA-N 1 3 316.424 2.532 20 0 DFADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422798419 296334980 /nfs/dbraw/zinc/33/49/80/296334980.db2.gz QZXGIAZIIGYQPF-NVXWUHKLSA-N 1 3 303.450 2.888 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCc2ccccc2C1)[C@@H]1CCCCN1 ZINC000422807019 296336588 /nfs/dbraw/zinc/33/65/88/296336588.db2.gz LOXRJYYPRCDPFI-PMACEKPBSA-N 1 3 315.505 2.945 20 0 DFADHO CO[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422806737 296336719 /nfs/dbraw/zinc/33/67/19/296336719.db2.gz LDPJBVDHLZKCDX-KBAYOESNSA-N 1 3 304.434 2.503 20 0 DFADHO CCc1ccc([C@@H](CC(C)C)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000623960603 399505055 /nfs/dbraw/zinc/50/50/55/399505055.db2.gz BDVAWTMASJKTIX-RTBURBONSA-N 1 3 304.478 2.992 20 0 DFADHO CCc1ccc([C@@H](CC(C)C)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000623960603 399505060 /nfs/dbraw/zinc/50/50/60/399505060.db2.gz BDVAWTMASJKTIX-RTBURBONSA-N 1 3 304.478 2.992 20 0 DFADHO CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)N1CCc2ccccc2C1 ZINC000422812580 296337479 /nfs/dbraw/zinc/33/74/79/296337479.db2.gz WOVUDKOBNYWXLM-RLLQIKCJSA-N 1 3 315.505 2.930 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCN1CCc2ccccc2C1 ZINC000422812922 296337649 /nfs/dbraw/zinc/33/76/49/296337649.db2.gz YJZHYQXQWYIYGA-LAUBAEHRSA-N 1 3 323.484 2.593 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CCc2ccccc2C1 ZINC000422812922 296337651 /nfs/dbraw/zinc/33/76/51/296337651.db2.gz YJZHYQXQWYIYGA-LAUBAEHRSA-N 1 3 323.484 2.593 20 0 DFADHO CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC000631846259 399507595 /nfs/dbraw/zinc/50/75/95/399507595.db2.gz XDALDECUCXIOJU-CVEARBPZSA-N 1 3 319.840 2.788 20 0 DFADHO CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC000631846259 399507600 /nfs/dbraw/zinc/50/76/00/399507600.db2.gz XDALDECUCXIOJU-CVEARBPZSA-N 1 3 319.840 2.788 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1ccccc1Br ZINC000422825349 296339909 /nfs/dbraw/zinc/33/99/09/296339909.db2.gz JOQOUPSCFMTRKS-IUODEOHRSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccccc1Br ZINC000422825349 296339910 /nfs/dbraw/zinc/33/99/10/296339910.db2.gz JOQOUPSCFMTRKS-IUODEOHRSA-N 1 3 311.267 2.969 20 0 DFADHO COc1cc(CN[C@H](C)C[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000422831420 296341029 /nfs/dbraw/zinc/34/10/29/296341029.db2.gz STHHQGQSPFKFFP-GHMZBOCLSA-N 1 3 320.355 2.852 20 0 DFADHO Cc1ccc([C@@H](CN[C@@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000422830981 296341045 /nfs/dbraw/zinc/34/10/45/296341045.db2.gz RUXCUCLJTHGZJJ-RTBURBONSA-N 1 3 301.478 2.864 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000422828280 296340494 /nfs/dbraw/zinc/34/04/94/296340494.db2.gz FUHNBMQRNSDHFE-FHWLQOOXSA-N 1 3 303.494 2.657 20 0 DFADHO CN(C)Cc1ccccc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000422838538 296342453 /nfs/dbraw/zinc/34/24/53/296342453.db2.gz OSDRRTYGHVTJPM-UHFFFAOYSA-N 1 3 309.413 2.646 20 0 DFADHO CCO[C@H](CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000422833488 296341324 /nfs/dbraw/zinc/34/13/24/296341324.db2.gz YUGCBFAMNOVVHZ-NCXUSEDFSA-N 1 3 324.509 2.719 20 0 DFADHO C[NH2+]CC1CCN(Cc2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000347014915 285004010 /nfs/dbraw/zinc/00/40/10/285004010.db2.gz ASDLOJZUEZGOOR-UHFFFAOYSA-N 1 3 314.433 2.517 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422844085 296343321 /nfs/dbraw/zinc/34/33/21/296343321.db2.gz KTUPTJDIHXDOAR-CVEARBPZSA-N 1 3 311.539 2.598 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(CC(F)(F)F)CC1 ZINC000422854535 296345207 /nfs/dbraw/zinc/34/52/07/296345207.db2.gz AZGYVBOQPSVSNB-ZFWWWQNUSA-N 1 3 321.431 2.914 20 0 DFADHO CCCC(=O)Nc1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422879469 296349283 /nfs/dbraw/zinc/34/92/83/296349283.db2.gz KOITUKGYGKUOCI-YOEHRIQHSA-N 1 3 303.450 2.903 20 0 DFADHO CC[C@H](N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422879652 296349513 /nfs/dbraw/zinc/34/95/13/296349513.db2.gz VVJPCLYEIAVLRK-NQYYFHDYSA-N 1 3 301.478 2.770 20 0 DFADHO COc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1Br ZINC000422886069 296350606 /nfs/dbraw/zinc/35/06/06/296350606.db2.gz ZZKVJXKPEXNGHN-UWVGGRQHSA-N 1 3 301.228 2.673 20 0 DFADHO CCCCOc1cccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000422889845 296351241 /nfs/dbraw/zinc/35/12/41/296351241.db2.gz GZYOTQFITMHLTK-FHLIZLRMSA-N 1 3 306.450 2.707 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422891130 296351479 /nfs/dbraw/zinc/35/14/79/296351479.db2.gz KCPWDEWQHSZKLW-GXTWGEPZSA-N 1 3 302.340 2.845 20 0 DFADHO Cc1ccccc1CN1CCC([NH2+][C@H]2CNCC[C@H]2C)CC1 ZINC000422899990 296352805 /nfs/dbraw/zinc/35/28/05/296352805.db2.gz PQQAASGJXGEGLU-APWZRJJASA-N 1 3 301.478 2.547 20 0 DFADHO Fc1cccc(CCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422910459 296354688 /nfs/dbraw/zinc/35/46/88/296354688.db2.gz QNQLUQJTYPTWGA-RCCFBDPRSA-N 1 3 306.425 2.505 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1nc(-c2ccncc2)cs1 ZINC000422914591 296355316 /nfs/dbraw/zinc/35/53/16/296355316.db2.gz UVZWDZMJSMKGGS-HIFRSBDPSA-N 1 3 316.474 2.725 20 0 DFADHO FC(F)(F)CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422917442 296355362 /nfs/dbraw/zinc/35/53/62/296355362.db2.gz DWVAUHTYWMOYPF-JSGCOSHPSA-N 1 3 300.324 2.784 20 0 DFADHO Cc1ccoc1C(=O)NCCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422922332 296355594 /nfs/dbraw/zinc/35/55/94/296355594.db2.gz PZKLCHGMLDTOKP-HOTGVXAUSA-N 1 3 321.465 2.608 20 0 DFADHO N[C@@H]1CCC[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422917739 296355768 /nfs/dbraw/zinc/35/57/68/296355768.db2.gz GSCNJXYQOKQZJS-GHMZBOCLSA-N 1 3 323.746 2.602 20 0 DFADHO CC(C)[C@@H](CN[C@H](C)C[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000422925605 296356033 /nfs/dbraw/zinc/35/60/33/296356033.db2.gz BIPYLAXEGWVCAA-FRQCXROJSA-N 1 3 303.494 2.785 20 0 DFADHO CC(C)[C@H](CN[C@@H](C)C[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000422925603 296356104 /nfs/dbraw/zinc/35/61/04/296356104.db2.gz BIPYLAXEGWVCAA-BXWFABGCSA-N 1 3 303.494 2.785 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000422911468 296354992 /nfs/dbraw/zinc/35/49/92/296354992.db2.gz SXIVMPCFLDMANL-NFAWXSAZSA-N 1 3 323.868 2.515 20 0 DFADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000422929433 296356725 /nfs/dbraw/zinc/35/67/25/296356725.db2.gz PZQSOGHLLKYNNQ-HUUCEWRRSA-N 1 3 324.852 2.903 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccc(F)c(Br)c1 ZINC000422931134 296356826 /nfs/dbraw/zinc/35/68/26/296356826.db2.gz AQWIWNGXCQMXRQ-NXEZZACHSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931134 296356827 /nfs/dbraw/zinc/35/68/27/296356827.db2.gz AQWIWNGXCQMXRQ-NXEZZACHSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCOc1ccc(C(C)(C)C)cc1 ZINC000422929771 296356905 /nfs/dbraw/zinc/35/69/05/296356905.db2.gz RMKUMOOUCFHVTB-QGTPRVQTSA-N 1 3 320.477 2.705 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422926752 296356159 /nfs/dbraw/zinc/35/61/59/296356159.db2.gz DVGSTILNHRGYAK-CGTJXYLNSA-N 1 3 302.462 2.741 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1ccc(-c2csc(C)n2)o1 ZINC000422936614 296357960 /nfs/dbraw/zinc/35/79/60/296357960.db2.gz FJZCXQDIHOVBBL-GFCCVEGCSA-N 1 3 309.435 2.555 20 0 DFADHO CC(C)[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422947736 296359253 /nfs/dbraw/zinc/35/92/53/296359253.db2.gz YSJOBVSAFFPOLF-FFZOFVMBSA-N 1 3 315.505 2.799 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422947903 296359349 /nfs/dbraw/zinc/35/93/49/296359349.db2.gz QTMFQWVWEVTSMI-SWLSCSKDSA-N 1 3 309.841 2.776 20 0 DFADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000347503767 285061971 /nfs/dbraw/zinc/06/19/71/285061971.db2.gz XEIMWYBEPIKTRB-IBGZPJMESA-N 1 3 323.440 2.843 20 0 DFADHO CC(C)c1ccccc1OCCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422955563 296360734 /nfs/dbraw/zinc/36/07/34/296360734.db2.gz JNYLCQBKVLDQOO-DJIMGWMZSA-N 1 3 306.450 2.531 20 0 DFADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000422963044 296361723 /nfs/dbraw/zinc/36/17/23/296361723.db2.gz FFEBTZQNTNCDPR-MDZRGWNJSA-N 1 3 316.493 2.585 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000422957537 296361127 /nfs/dbraw/zinc/36/11/27/296361127.db2.gz UQULEBHRBYICJS-RDJZCZTQSA-N 1 3 305.491 2.775 20 0 DFADHO CN(C)Cc1ccc(-c2ccccc2CN[C@H]2CC[NH2+]C2)cc1 ZINC000422969662 296363014 /nfs/dbraw/zinc/36/30/14/296363014.db2.gz VBCVTNNDWKDOGW-IBGZPJMESA-N 1 3 309.457 2.867 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccc(NCCOC)cc1)[C@H]1CCCCN1 ZINC000422971293 296363120 /nfs/dbraw/zinc/36/31/20/296363120.db2.gz YBVZWPFALNWTCE-QZTJIDSGSA-N 1 3 305.466 2.755 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000422995213 296365091 /nfs/dbraw/zinc/36/50/91/296365091.db2.gz XJEYXESMBGSHIK-JCKWVBRZSA-N 1 3 305.466 2.831 20 0 DFADHO Cc1cc(C[C@@H](C)N[C@@H]2CCC[NH2+]CC2)n(-c2ccccc2)n1 ZINC000422994501 296364783 /nfs/dbraw/zinc/36/47/83/296364783.db2.gz HXFXWLPZOXXZFX-NVXWUHKLSA-N 1 3 312.461 2.843 20 0 DFADHO COCCCOc1cccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423001032 296365841 /nfs/dbraw/zinc/36/58/41/296365841.db2.gz HJZDRPMDUTVRJR-SJLPKXTDSA-N 1 3 306.450 2.709 20 0 DFADHO CCC(CC)[C@H](CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)OC ZINC000423001096 296366003 /nfs/dbraw/zinc/36/60/03/296366003.db2.gz WMSHUIMKLQAWPA-FJIDUMEYSA-N 1 3 312.498 2.574 20 0 DFADHO Cc1cn2c(n1)[C@H](CN[C@@H](C)C[C@H]1CCCCC[NH2+]1)CCC2 ZINC000423004102 296366116 /nfs/dbraw/zinc/36/61/16/296366116.db2.gz JEHVFAFUEYILDE-BHYGNILZSA-N 1 3 304.482 2.969 20 0 DFADHO Cc1cn2c(n1)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423005737 296366808 /nfs/dbraw/zinc/36/68/08/296366808.db2.gz NDCBBALCTHGEJZ-YLFCFFPRSA-N 1 3 302.466 2.579 20 0 DFADHO C[C@H](Cc1cc(Br)ccc1F)N[C@H](C)C1C[NH2+]C1 ZINC000423013482 296367759 /nfs/dbraw/zinc/36/77/59/296367759.db2.gz MXCVVZBPAGGSCT-NXEZZACHSA-N 1 3 315.230 2.717 20 0 DFADHO C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@H](C)C1CNC1 ZINC000423013482 296367760 /nfs/dbraw/zinc/36/77/60/296367760.db2.gz MXCVVZBPAGGSCT-NXEZZACHSA-N 1 3 315.230 2.717 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423027004 296369430 /nfs/dbraw/zinc/36/94/30/296369430.db2.gz CQJUTWAXLACEKY-DZGCQCFKSA-N 1 3 318.396 2.525 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423027004 296369431 /nfs/dbraw/zinc/36/94/31/296369431.db2.gz CQJUTWAXLACEKY-DZGCQCFKSA-N 1 3 318.396 2.525 20 0 DFADHO Cc1nn(C)c(C)c1CCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423018897 296368375 /nfs/dbraw/zinc/36/83/75/296368375.db2.gz SIGKPCJXSMMKMQ-WMLDXEAASA-N 1 3 306.498 2.870 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H]3CCC[C@H]3[NH3+])c2)CC1 ZINC000423021541 296368821 /nfs/dbraw/zinc/36/88/21/296368821.db2.gz CDKDULSUVOEEKG-QZTJIDSGSA-N 1 3 302.466 2.509 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H]3C[NH2+]CC[C@H]3C)c2)CC1 ZINC000423022395 296368848 /nfs/dbraw/zinc/36/88/48/296368848.db2.gz FDRUWERELOPLFF-APWZRJJASA-N 1 3 316.493 2.627 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423030942 296369803 /nfs/dbraw/zinc/36/98/03/296369803.db2.gz KJHQFBPSQSGLTL-VXGBXAGGSA-N 1 3 306.385 2.524 20 0 DFADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423030942 296369805 /nfs/dbraw/zinc/36/98/05/296369805.db2.gz KJHQFBPSQSGLTL-VXGBXAGGSA-N 1 3 306.385 2.524 20 0 DFADHO Fc1ccc(N2CC[C@H](N[C@@H]3CCC[NH2+]CC3)C2)cc1Cl ZINC000423037850 296370521 /nfs/dbraw/zinc/37/05/21/296370521.db2.gz CGMPXKUZEAXDAS-OLZOCXBDSA-N 1 3 311.832 2.790 20 0 DFADHO O[C@H](CCc1ccccc1)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423038248 296370636 /nfs/dbraw/zinc/37/06/36/296370636.db2.gz YAJHOVZZUSSMSP-IYWMVGAKSA-N 1 3 316.489 2.881 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NCC1(C[NH+](C)C)CCCC1 ZINC000423039683 296370741 /nfs/dbraw/zinc/37/07/41/296370741.db2.gz QYDIGDSHWHLMEL-CQSZACIVSA-N 1 3 304.482 2.621 20 0 DFADHO Clc1ccc(N2CC[C@H]([NH2+]C3CCNCC3)C2)cc1Cl ZINC000423045823 296371532 /nfs/dbraw/zinc/37/15/32/296371532.db2.gz SRVRYGMZTDQDQA-LBPRGKRZSA-N 1 3 314.260 2.914 20 0 DFADHO C[C@H]1CC[NH2+]C[C@@H]1NCC1(CCOCc2ccccc2)CC1 ZINC000423046099 296371588 /nfs/dbraw/zinc/37/15/88/296371588.db2.gz DCXWACNAPIUKHD-WMZOPIPTSA-N 1 3 302.462 2.961 20 0 DFADHO CCO[C@@H]1C[C@H](N[C@H](C)C[C@@H]2CCCCC[NH2+]2)C12CCOCC2 ZINC000423054376 296372662 /nfs/dbraw/zinc/37/26/62/296372662.db2.gz UQTLDASKTPNQDL-VSZNYVQBSA-N 1 3 324.509 2.861 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000423058765 296373198 /nfs/dbraw/zinc/37/31/98/296373198.db2.gz DALKEBVMNTXRKV-XUXIUFHCSA-N 1 3 308.388 2.577 20 0 DFADHO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)CNC2)C1CCCCC1 ZINC000347643659 285110640 /nfs/dbraw/zinc/11/06/40/285110640.db2.gz BESHMTCFEBCCFI-GOSISDBHSA-N 1 3 315.461 2.530 20 0 DFADHO C[C@@H](NC[C@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423059355 296373151 /nfs/dbraw/zinc/37/31/51/296373151.db2.gz FKIDQLCDZVIJQG-ATZDWAIDSA-N 1 3 301.478 2.627 20 0 DFADHO Cc1ccccc1[C@H]([C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000423064659 296374200 /nfs/dbraw/zinc/37/42/00/296374200.db2.gz ZKEMFHJTAMWDQR-KEOQEEGVSA-N 1 3 301.478 2.859 20 0 DFADHO CO[C@H](CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+])C(F)(F)F ZINC000423067099 296374442 /nfs/dbraw/zinc/37/44/42/296374442.db2.gz GIAFYROSOGJWNX-IACUBPJLSA-N 1 3 304.356 2.502 20 0 DFADHO [NH3+][C@H]1CCCCC[C@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000423063362 296373855 /nfs/dbraw/zinc/37/38/55/296373855.db2.gz WEAYDILMYPVYQL-ZWKOTPCHSA-N 1 3 321.896 2.948 20 0 DFADHO CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N)Cc1ccccc1 ZINC000423067451 296374631 /nfs/dbraw/zinc/37/46/31/296374631.db2.gz HCXLBZZGDJMHCP-GDAAHCPNSA-N 1 3 304.478 2.843 20 0 DFADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423071723 296374916 /nfs/dbraw/zinc/37/49/16/296374916.db2.gz IBZNYAUGQZAOOE-WJFTUGDTSA-N 1 3 320.452 2.630 20 0 DFADHO C[C@](CO)(CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423077234 296375617 /nfs/dbraw/zinc/37/56/17/296375617.db2.gz LSKOCAQKPBQZQF-UAFMIMERSA-N 1 3 316.489 2.738 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000423078766 296375977 /nfs/dbraw/zinc/37/59/77/296375977.db2.gz PGMAHFKCWHWSNH-AWEZNQCLSA-N 1 3 304.482 2.621 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423094687 296377549 /nfs/dbraw/zinc/37/75/49/296377549.db2.gz KLUWVALDSRBXBS-BPKGMFCQSA-N 1 3 308.466 2.619 20 0 DFADHO CC[C@@H](N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000423092615 296377658 /nfs/dbraw/zinc/37/76/58/296377658.db2.gz CQWALDHRQRRNIK-XMTFNYHQSA-N 1 3 321.509 2.678 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000616994075 399557297 /nfs/dbraw/zinc/55/72/97/399557297.db2.gz UDZCWIUGYPZMCF-IAGOWNOFSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000616994075 399557303 /nfs/dbraw/zinc/55/73/03/399557303.db2.gz UDZCWIUGYPZMCF-IAGOWNOFSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120050 399558975 /nfs/dbraw/zinc/55/89/75/399558975.db2.gz QKTPLWNSEULUJI-HUUCEWRRSA-N 1 3 321.440 2.864 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624120050 399558978 /nfs/dbraw/zinc/55/89/78/399558978.db2.gz QKTPLWNSEULUJI-HUUCEWRRSA-N 1 3 321.440 2.864 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624120050 399558980 /nfs/dbraw/zinc/55/89/80/399558980.db2.gz QKTPLWNSEULUJI-HUUCEWRRSA-N 1 3 321.440 2.864 20 0 DFADHO COCCCOc1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423107064 296379008 /nfs/dbraw/zinc/37/90/08/296379008.db2.gz PFDHNNJHKQNEKW-QAPCUYQASA-N 1 3 306.450 2.580 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC1CC(c2cccc(Cl)c2)C1 ZINC000423113060 296379976 /nfs/dbraw/zinc/37/99/76/296379976.db2.gz YGHIFXGHUUQSSO-KLQNOENESA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000423113060 296379977 /nfs/dbraw/zinc/37/99/77/296379977.db2.gz YGHIFXGHUUQSSO-KLQNOENESA-N 1 3 308.853 2.928 20 0 DFADHO Cc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc(N2CCCC2)n1 ZINC000423120897 296380693 /nfs/dbraw/zinc/38/06/93/296380693.db2.gz HTRNIIUYUCFSQU-DLBZAZTESA-N 1 3 302.466 2.740 20 0 DFADHO Cc1cc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc(N2CCCC2)n1 ZINC000423120898 296380721 /nfs/dbraw/zinc/38/07/21/296380721.db2.gz HTRNIIUYUCFSQU-IAGOWNOFSA-N 1 3 302.466 2.740 20 0 DFADHO Brc1cccc2[nH]cc(CC[NH2+]C3CCNCC3)c21 ZINC000423119637 296380750 /nfs/dbraw/zinc/38/07/50/296380750.db2.gz CWESSIJHUOOHRJ-UHFFFAOYSA-N 1 3 322.250 2.815 20 0 DFADHO Brc1cccc2[nH]cc(CCNC3CC[NH2+]CC3)c21 ZINC000423119637 296380752 /nfs/dbraw/zinc/38/07/52/296380752.db2.gz CWESSIJHUOOHRJ-UHFFFAOYSA-N 1 3 322.250 2.815 20 0 DFADHO CCc1ccc([C@H](CN[C@H](C)C2C[NH2+]C2)N(CC)CC)cc1 ZINC000423127192 296381815 /nfs/dbraw/zinc/38/18/15/296381815.db2.gz JQPAONCUHCSHNY-BEFAXECRSA-N 1 3 303.494 2.829 20 0 DFADHO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423145763 296384793 /nfs/dbraw/zinc/38/47/93/296384793.db2.gz MIJWRZPSZQPUTG-ZYHUDNBSSA-N 1 3 319.371 2.857 20 0 DFADHO COC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000423148634 296385026 /nfs/dbraw/zinc/38/50/26/296385026.db2.gz GGWUMQVNCKQPJI-KTFSGNIMSA-N 1 3 308.853 2.943 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000423157674 296386088 /nfs/dbraw/zinc/38/60/88/296386088.db2.gz MWUNWXFMBWXLEQ-NHYWBVRUSA-N 1 3 300.805 2.965 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423157674 296386090 /nfs/dbraw/zinc/38/60/90/296386090.db2.gz MWUNWXFMBWXLEQ-NHYWBVRUSA-N 1 3 300.805 2.965 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000423163571 296386960 /nfs/dbraw/zinc/38/69/60/296386960.db2.gz MVGKBPCCPHOYAH-FUMNGEBKSA-N 1 3 316.489 2.717 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)C1(O)CCCC1 ZINC000423168334 296387231 /nfs/dbraw/zinc/38/72/31/296387231.db2.gz UJWMTEXSBJXGJW-RDJZCZTQSA-N 1 3 304.478 2.866 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000423158777 296386565 /nfs/dbraw/zinc/38/65/65/296386565.db2.gz DFWAUZIPIYTIIA-CYBMUJFWSA-N 1 3 305.466 2.831 20 0 DFADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc2c(c1)COC2 ZINC000423181831 296389382 /nfs/dbraw/zinc/38/93/82/296389382.db2.gz DCNVCHGYDKGWAB-HNNXBMFYSA-N 1 3 311.429 2.942 20 0 DFADHO CC(=O)NCCc1ccc([C@@H](C)[NH2+]CC2(N)CCCCC2)cc1 ZINC000423184425 296389645 /nfs/dbraw/zinc/38/96/45/296389645.db2.gz SYFCMIBCFUSJLH-OAHLLOKOSA-N 1 3 317.477 2.677 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]CC2(N)CCCCC2)CN1Cc1ccccc1 ZINC000423183448 296389725 /nfs/dbraw/zinc/38/97/25/296389725.db2.gz RXXXJHTXHWOAGO-FUHWJXTLSA-N 1 3 301.478 2.901 20 0 DFADHO C[C@H]1C[C@@H](NCC2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC000423183448 296389726 /nfs/dbraw/zinc/38/97/26/296389726.db2.gz RXXXJHTXHWOAGO-FUHWJXTLSA-N 1 3 301.478 2.901 20 0 DFADHO Clc1ccccc1C[C@@H]([NH2+]C1CCNCC1)[C@@H]1CCCO1 ZINC000423185886 296389789 /nfs/dbraw/zinc/38/97/89/296389789.db2.gz NUMXOFXWTKJXOO-SJORKVTESA-N 1 3 308.853 2.772 20 0 DFADHO Cc1ccc([C@@H](NCCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423193024 296390808 /nfs/dbraw/zinc/39/08/08/296390808.db2.gz WGEFBTFSXHNCSG-NRFANRHFSA-N 1 3 323.484 2.969 20 0 DFADHO C[C@@H](NCCN1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000423207161 296392422 /nfs/dbraw/zinc/39/24/22/296392422.db2.gz RHXBHCAUQAEYOE-LLVKDONJSA-N 1 3 302.249 2.549 20 0 DFADHO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(N2CCOCC2)c1 ZINC000423219911 296393655 /nfs/dbraw/zinc/39/36/55/296393655.db2.gz UWFJCTDQMBPIOD-BQFCYCMXSA-N 1 3 317.477 2.562 20 0 DFADHO COC[C@@H](NCC[C@H]1CC[NH2+]C1)c1cccc(Cl)c1F ZINC000423250904 296396818 /nfs/dbraw/zinc/39/68/18/296396818.db2.gz REYFAZOANBILKF-BXUZGUMPSA-N 1 3 300.805 2.756 20 0 DFADHO CC(=O)NCCc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423265140 296398598 /nfs/dbraw/zinc/39/85/98/296398598.db2.gz AUNVJQSTGNFMAV-GDIGMMSISA-N 1 3 317.477 2.533 20 0 DFADHO CCN1CCCC[C@H]1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104262128 285201746 /nfs/dbraw/zinc/20/17/46/285201746.db2.gz CXUBIUBGQFROIJ-KSZLIROESA-N 1 3 323.525 2.735 20 0 DFADHO CCN1CCCC[C@H]1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104262128 285201752 /nfs/dbraw/zinc/20/17/52/285201752.db2.gz CXUBIUBGQFROIJ-KSZLIROESA-N 1 3 323.525 2.735 20 0 DFADHO CCN1CCCC[C@H]1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000245920737 285202097 /nfs/dbraw/zinc/20/20/97/285202097.db2.gz TXJSLPRYNXDJIK-SJORKVTESA-N 1 3 309.498 2.632 20 0 DFADHO CCN1CCCC[C@H]1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000245920737 285202098 /nfs/dbraw/zinc/20/20/98/285202098.db2.gz TXJSLPRYNXDJIK-SJORKVTESA-N 1 3 309.498 2.632 20 0 DFADHO Cc1cnn(C)c1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000347846721 285203923 /nfs/dbraw/zinc/20/39/23/285203923.db2.gz FNYHDUKZGYICHK-UHFFFAOYSA-N 1 3 304.482 2.817 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(C)c(O)c(C)c2)C1 ZINC000347860774 285213464 /nfs/dbraw/zinc/21/34/64/285213464.db2.gz JZKIQNRGSZKIHQ-SFHVURJKSA-N 1 3 320.477 2.942 20 0 DFADHO COc1cc(OC)c([C@@H](C)NCC2=CC[NH2+]CC2)cc1Cl ZINC000423346377 296407135 /nfs/dbraw/zinc/40/71/35/296407135.db2.gz OUYPDYOJNKPHQJ-LLVKDONJSA-N 1 3 310.825 2.928 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423384343 296410947 /nfs/dbraw/zinc/41/09/47/296410947.db2.gz KYODCTODYIKHLR-RVSPLBMKSA-N 1 3 316.449 2.891 20 0 DFADHO OC1CC[NH+](CCCN[C@H]2CCCc3cc(F)ccc32)CC1 ZINC000271675536 285245373 /nfs/dbraw/zinc/24/53/73/285245373.db2.gz HLQHCOOPJGQRQS-SFHVURJKSA-N 1 3 306.425 2.640 20 0 DFADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2NCCCC2(C)C)CC1 ZINC000423438907 296416826 /nfs/dbraw/zinc/41/68/26/296416826.db2.gz VSNZZKDBXLFFGD-QGZVFWFLSA-N 1 3 323.525 2.639 20 0 DFADHO COc1ccc2c(c1)[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)CCCO2 ZINC000423442960 296416900 /nfs/dbraw/zinc/41/69/00/296416900.db2.gz PXHFLQMQPGFYBL-CGTJXYLNSA-N 1 3 316.445 2.887 20 0 DFADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000423450901 296417520 /nfs/dbraw/zinc/41/75/20/296417520.db2.gz XSYPCTSXZJXAHH-FHLIZLRMSA-N 1 3 310.445 2.911 20 0 DFADHO Cc1cc(C)n(CCN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000347935600 285255614 /nfs/dbraw/zinc/25/56/14/285255614.db2.gz PZCVSDICIFBNAV-IRXDYDNUSA-N 1 3 304.482 2.743 20 0 DFADHO Cc1cc(C)n(CCN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000347935600 285255615 /nfs/dbraw/zinc/25/56/15/285255615.db2.gz PZCVSDICIFBNAV-IRXDYDNUSA-N 1 3 304.482 2.743 20 0 DFADHO Cc1cc(C)n(CC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)n1 ZINC000347935600 285255616 /nfs/dbraw/zinc/25/56/16/285255616.db2.gz PZCVSDICIFBNAV-IRXDYDNUSA-N 1 3 304.482 2.743 20 0 DFADHO Cc1c([C@@H](C)NCCC[C@@H]2CCC[NH2+]2)nnn1-c1ccccc1 ZINC000423481895 296420618 /nfs/dbraw/zinc/42/06/18/296420618.db2.gz OQYLMMGYIYYMPR-GDBMZVCRSA-N 1 3 313.449 2.759 20 0 DFADHO CCOC[C@H]1CCC[C@@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423515498 296424871 /nfs/dbraw/zinc/42/48/71/296424871.db2.gz AARLDLVICOSUPT-RIFVKUKGSA-N 1 3 306.494 2.935 20 0 DFADHO CCCC[C@@H](COC)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000120644234 195207550 /nfs/dbraw/zinc/20/75/50/195207550.db2.gz MTGFCVJDNCJHMM-OALUTQOASA-N 1 3 320.477 2.548 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@H](C)C1 ZINC000289688277 221154202 /nfs/dbraw/zinc/15/42/02/221154202.db2.gz IAXVINYEOAETPM-QAPCUYQASA-N 1 3 316.493 2.810 20 0 DFADHO Cc1ccc2ncc(CN3CCC(OCCC[NH3+])CC3)cc2c1 ZINC000629513876 399630219 /nfs/dbraw/zinc/63/02/19/399630219.db2.gz NBDHXCHWMCVHIP-UHFFFAOYSA-N 1 3 313.445 2.873 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CCCN1CC(F)F ZINC000629520899 399633546 /nfs/dbraw/zinc/63/35/46/399633546.db2.gz ZHVQKDQGRZOLTL-RBSFLKMASA-N 1 3 303.441 2.616 20 0 DFADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000629521909 399634835 /nfs/dbraw/zinc/63/48/35/399634835.db2.gz SZJKFWCXQZSPGF-LLVKDONJSA-N 1 3 318.339 2.744 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CCCC(F)(F)CC2)CC1 ZINC000625770729 399636234 /nfs/dbraw/zinc/63/62/34/399636234.db2.gz QGMZBESSSIFXNJ-UHFFFAOYSA-N 1 3 303.441 2.524 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CCCC(F)(F)CC2)CC1 ZINC000625770729 399636239 /nfs/dbraw/zinc/63/62/39/399636239.db2.gz QGMZBESSSIFXNJ-UHFFFAOYSA-N 1 3 303.441 2.524 20 0 DFADHO CC[C@H](NCCOCC[NH2+]C)c1ccc(Br)cc1 ZINC000629529332 399636716 /nfs/dbraw/zinc/63/67/16/399636716.db2.gz ZRZXCFYTAYJNGJ-AWEZNQCLSA-N 1 3 315.255 2.726 20 0 DFADHO OCc1ccc(F)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000629532034 399638055 /nfs/dbraw/zinc/63/80/55/399638055.db2.gz JCAQWQBWVRHTLJ-HZPDHXFCSA-N 1 3 306.425 2.530 20 0 DFADHO COc1ccccc1[C@@H](NCCOCCC[NH3+])C1CCCC1 ZINC000629540518 399640154 /nfs/dbraw/zinc/64/01/54/399640154.db2.gz VHWWZDOESBUDAH-SFHVURJKSA-N 1 3 306.450 2.882 20 0 DFADHO C[NH2+]CCOCCN(C)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000629571313 399652707 /nfs/dbraw/zinc/65/27/07/399652707.db2.gz KSNPHRVJOAJONG-LBPRGKRZSA-N 1 3 320.355 2.814 20 0 DFADHO O[C@@H]1CCN(CCC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000629582238 399655202 /nfs/dbraw/zinc/65/52/02/399655202.db2.gz PRZIXYVGMQSFDU-IAGOWNOFSA-N 1 3 308.853 2.837 20 0 DFADHO CC(C)C[C@@H]1CCC[C@@H](NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000629551869 399645114 /nfs/dbraw/zinc/64/51/14/399645114.db2.gz YCYHWABAVBTBDA-UXLLHSPISA-N 1 3 305.470 2.507 20 0 DFADHO Fc1ccc([C@H]2CCCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1F ZINC000629552071 399645370 /nfs/dbraw/zinc/64/53/70/399645370.db2.gz ZPRVYHZYLASUSB-LSDHHAIUSA-N 1 3 322.399 2.665 20 0 DFADHO COc1ccc([C@H](CN)C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)cc1 ZINC000629552801 399647026 /nfs/dbraw/zinc/64/70/26/399647026.db2.gz QJIPYHDUARNZQC-UMVBOHGHSA-N 1 3 312.404 2.961 20 0 DFADHO CC(C)(C)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000617347383 399672961 /nfs/dbraw/zinc/67/29/61/399672961.db2.gz LMCLSNPEPIMQJG-CVEARBPZSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000617347383 399672966 /nfs/dbraw/zinc/67/29/66/399672966.db2.gz LMCLSNPEPIMQJG-CVEARBPZSA-N 1 3 321.509 2.630 20 0 DFADHO Cc1cccc(C2(CNC[C@@H](O)C[NH+]3CCCC3)CCCC2)c1 ZINC000629559901 399649075 /nfs/dbraw/zinc/64/90/75/399649075.db2.gz PIJQDNBELVKGJS-LJQANCHMSA-N 1 3 316.489 2.853 20 0 DFADHO CN(CCOCC[NH3+])Cc1c(OC(F)F)ccc2ccccc21 ZINC000629662017 399681156 /nfs/dbraw/zinc/68/11/56/399681156.db2.gz FDHODZKUZMBXDC-UHFFFAOYSA-N 1 3 324.371 2.848 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN(C)C[C@H](C)C2CCCCC2)CC1 ZINC000625986857 399710595 /nfs/dbraw/zinc/71/05/95/399710595.db2.gz WHTWIPRNESPEIH-INIZCTEOSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000617502594 399719095 /nfs/dbraw/zinc/71/90/95/399719095.db2.gz VOYSDNQAUQXONA-CGTJXYLNSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000617502594 399719100 /nfs/dbraw/zinc/71/91/00/399719100.db2.gz VOYSDNQAUQXONA-CGTJXYLNSA-N 1 3 323.525 2.591 20 0 DFADHO CC(C)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000617503369 399720665 /nfs/dbraw/zinc/72/06/65/399720665.db2.gz GOAIXXLGEXOLAG-INIZCTEOSA-N 1 3 319.493 2.812 20 0 DFADHO CC(C)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000617503369 399720669 /nfs/dbraw/zinc/72/06/69/399720669.db2.gz GOAIXXLGEXOLAG-INIZCTEOSA-N 1 3 319.493 2.812 20 0 DFADHO CCCc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000617504956 399720691 /nfs/dbraw/zinc/72/06/91/399720691.db2.gz QTERAFLFPMPIFA-INIZCTEOSA-N 1 3 319.493 2.641 20 0 DFADHO CCCc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000617504956 399720692 /nfs/dbraw/zinc/72/06/92/399720692.db2.gz QTERAFLFPMPIFA-INIZCTEOSA-N 1 3 319.493 2.641 20 0 DFADHO CN(C)Cc1cccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000348098340 285346827 /nfs/dbraw/zinc/34/68/27/285346827.db2.gz ARUNVVHFLZOQEK-GJZGRUSLSA-N 1 3 316.367 2.948 20 0 DFADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000348100219 285348949 /nfs/dbraw/zinc/34/89/49/285348949.db2.gz FNTPZHOPAUIKFJ-CABCVRRESA-N 1 3 316.367 2.948 20 0 DFADHO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000348104010 285351745 /nfs/dbraw/zinc/35/17/45/285351745.db2.gz NHYRUNKAVAAACL-MOPGFXCFSA-N 1 3 301.478 2.712 20 0 DFADHO CN(C)C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423783070 296447224 /nfs/dbraw/zinc/44/72/24/296447224.db2.gz ZTKYVXDTQLWYQP-BMFZPTHFSA-N 1 3 323.868 2.576 20 0 DFADHO C[C@@H](C(=O)NCc1ccccc1CN(C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000121985572 195387375 /nfs/dbraw/zinc/38/73/75/195387375.db2.gz GQOQFAROCPIVAU-OAGGEKHMSA-N 1 3 317.477 2.626 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccccn2)CC1 ZINC000122075432 195398192 /nfs/dbraw/zinc/39/81/92/195398192.db2.gz BAAHMKUYVIEEOR-UHFFFAOYSA-N 1 3 305.466 2.652 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccccn2)CC1 ZINC000122075432 195398194 /nfs/dbraw/zinc/39/81/94/195398194.db2.gz BAAHMKUYVIEEOR-UHFFFAOYSA-N 1 3 305.466 2.652 20 0 DFADHO C[C@@H](NC1CC1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000296599436 533335735 /nfs/dbraw/zinc/33/57/35/533335735.db2.gz YIVVNJVTSJUNPZ-OAHLLOKOSA-N 1 3 315.461 2.794 20 0 DFADHO C[C@@H]([NH2+]CCC(C)(C)CO)c1cccc(OCCN(C)C)c1 ZINC000296415910 533372437 /nfs/dbraw/zinc/37/24/37/533372437.db2.gz LEAZZVBEADVUGI-OAHLLOKOSA-N 1 3 308.466 2.686 20 0 DFADHO CO[C@@H](Cc1ccccc1)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000296673775 533375539 /nfs/dbraw/zinc/37/55/39/533375539.db2.gz HGSLHYAVCSQGKB-OALUTQOASA-N 1 3 302.462 2.662 20 0 DFADHO CO[C@@H](Cc1ccccc1)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000296673775 533375545 /nfs/dbraw/zinc/37/55/45/533375545.db2.gz HGSLHYAVCSQGKB-OALUTQOASA-N 1 3 302.462 2.662 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121063214 542582527 /nfs/dbraw/zinc/58/25/27/542582527.db2.gz ZLSQPKQZHMLDRA-UGSOOPFHSA-N 1 3 323.431 2.568 20 0 DFADHO CN(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccc(Cl)cc1 ZINC000629965523 399773300 /nfs/dbraw/zinc/77/33/00/399773300.db2.gz FVCFSQSQCGEGLX-INIZCTEOSA-N 1 3 323.868 2.543 20 0 DFADHO CN(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccc(Cl)cc1 ZINC000629965523 399773304 /nfs/dbraw/zinc/77/33/04/399773304.db2.gz FVCFSQSQCGEGLX-INIZCTEOSA-N 1 3 323.868 2.543 20 0 DFADHO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cccc(OCCN(C)C)c1 ZINC000131938012 542640056 /nfs/dbraw/zinc/64/00/56/542640056.db2.gz QTYRFWDDKYQKDM-WBVHZDCISA-N 1 3 306.450 2.847 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)N(C)C1CC1 ZINC000340232279 131239125 /nfs/dbraw/zinc/23/91/25/131239125.db2.gz QFYJKCGXZXOGGY-AYBZRNKSSA-N 1 3 301.478 2.894 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000178412170 542776353 /nfs/dbraw/zinc/77/63/53/542776353.db2.gz SWTJNJWYFKYETN-HNNXBMFYSA-N 1 3 317.433 2.780 20 0 DFADHO C[C@H]1C[C@@H](Nc2ccccc2CN2CCC(O)CC2)CC[N@@H+]1C ZINC000182249575 542794263 /nfs/dbraw/zinc/79/42/63/542794263.db2.gz MKYYUHNWEZNMTI-RDJZCZTQSA-N 1 3 317.477 2.538 20 0 DFADHO C[C@H]1C[C@@H](Nc2ccccc2CN2CCC(O)CC2)CC[N@H+]1C ZINC000182249575 542794264 /nfs/dbraw/zinc/79/42/64/542794264.db2.gz MKYYUHNWEZNMTI-RDJZCZTQSA-N 1 3 317.477 2.538 20 0 DFADHO CCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCN(CC)C1 ZINC000617924915 399834162 /nfs/dbraw/zinc/83/41/62/399834162.db2.gz BBVBETHKZGMTSO-MSOLQXFVSA-N 1 3 317.477 2.622 20 0 DFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC(C)(C)C2)cc1 ZINC000273138676 542971604 /nfs/dbraw/zinc/97/16/04/542971604.db2.gz CUEVRQUZVXWLKY-KRWDZBQOSA-N 1 3 317.477 2.646 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000280146968 542986929 /nfs/dbraw/zinc/98/69/29/542986929.db2.gz PZRDBPIOYLCVKJ-BBRMVZONSA-N 1 3 304.434 2.623 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1cccc(OCCN(C)C)c1 ZINC000348691343 285643757 /nfs/dbraw/zinc/64/37/57/285643757.db2.gz CFPHXZFUGRCQLR-IPELMVKDSA-N 1 3 320.477 2.971 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000321587631 543085928 /nfs/dbraw/zinc/08/59/28/543085928.db2.gz WINZATVMULRDOI-OKZBNKHCSA-N 1 3 317.477 2.561 20 0 DFADHO COc1ccc2c(c1)OC[C@H]([NH2+]C1CCN(CC(C)C)CC1)C2 ZINC000341907215 543158815 /nfs/dbraw/zinc/15/88/15/543158815.db2.gz NFVUGQVDPGJNTO-QGZVFWFLSA-N 1 3 318.461 2.709 20 0 DFADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CC[C@H]1C1CC1 ZINC000343993152 543170105 /nfs/dbraw/zinc/17/01/05/543170105.db2.gz ROIVPGZAQWLEFA-IRXDYDNUSA-N 1 3 303.450 2.690 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000352246654 543228842 /nfs/dbraw/zinc/22/88/42/543228842.db2.gz RCXQZJYRMFVOMJ-XUVXKRRUSA-N 1 3 316.489 2.959 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000352246654 543228843 /nfs/dbraw/zinc/22/88/43/543228843.db2.gz RCXQZJYRMFVOMJ-XUVXKRRUSA-N 1 3 316.489 2.959 20 0 DFADHO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000353676222 543237530 /nfs/dbraw/zinc/23/75/30/543237530.db2.gz WCGTVOYODJAQSU-CEXWTWQISA-N 1 3 302.462 2.777 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C(C)(C)N)cc2)C1 ZINC000164837623 145226727 /nfs/dbraw/zinc/22/67/27/145226727.db2.gz YJJNWOCJBSSGCN-GASCZTMLSA-N 1 3 317.477 2.518 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C(C)(C)N)cc2)C1 ZINC000164837623 145226730 /nfs/dbraw/zinc/22/67/30/145226730.db2.gz YJJNWOCJBSSGCN-GASCZTMLSA-N 1 3 317.477 2.518 20 0 DFADHO COC[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000165348737 145229335 /nfs/dbraw/zinc/22/93/35/145229335.db2.gz RATNOQAJSFUNSQ-PKOBYXMFSA-N 1 3 302.462 2.566 20 0 DFADHO CC(C)[C@@H](O)CC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000165399717 145230669 /nfs/dbraw/zinc/23/06/69/145230669.db2.gz VSMLWOOKLWWWGN-YJBOKZPZSA-N 1 3 308.466 2.685 20 0 DFADHO OC1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CCN(Cc2ccccc2)CC1 ZINC000414307963 543325759 /nfs/dbraw/zinc/32/57/59/543325759.db2.gz PSEPKELCEPQCLV-RBUKOAKNSA-N 1 3 314.473 2.792 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414928535 543328091 /nfs/dbraw/zinc/32/80/91/543328091.db2.gz QDPWYQYDKRJBGP-OAGGEKHMSA-N 1 3 306.450 2.884 20 0 DFADHO CCC1([NH+]2CCCC2)CCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000633954639 399965165 /nfs/dbraw/zinc/96/51/65/399965165.db2.gz VVQJNPZTYFELBM-IAGOWNOFSA-N 1 3 321.509 2.726 20 0 DFADHO Cc1ccc([C@H](C)CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000628167606 399995336 /nfs/dbraw/zinc/99/53/36/399995336.db2.gz SSZXABGIRKGKNT-QUCCMNQESA-N 1 3 315.505 2.810 20 0 DFADHO Cc1ccc([C@H](C)CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000628167606 399995340 /nfs/dbraw/zinc/99/53/40/399995340.db2.gz SSZXABGIRKGKNT-QUCCMNQESA-N 1 3 315.505 2.810 20 0 DFADHO C[NH+](C)CCCOc1cnccc1CNC[C@@]1(C)CCCS1 ZINC000628282595 400013321 /nfs/dbraw/zinc/01/33/21/400013321.db2.gz LKEMTDDNTFQLSE-QGZVFWFLSA-N 1 3 323.506 2.787 20 0 DFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000628748975 400052347 /nfs/dbraw/zinc/05/23/47/400052347.db2.gz ZKMMGIYIEGNUOA-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000628748975 400052349 /nfs/dbraw/zinc/05/23/49/400052349.db2.gz ZKMMGIYIEGNUOA-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](Cc1cnccn1)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000631661718 400063294 /nfs/dbraw/zinc/06/32/94/400063294.db2.gz BWGPIIKVZWELRF-SCTDSRPQSA-N 1 3 324.472 2.765 20 0 DFADHO C[C@H](Cc1cnccn1)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661718 400063296 /nfs/dbraw/zinc/06/32/96/400063296.db2.gz BWGPIIKVZWELRF-SCTDSRPQSA-N 1 3 324.472 2.765 20 0 DFADHO C[C@H](Cc1cnccn1)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661718 400063298 /nfs/dbraw/zinc/06/32/98/400063298.db2.gz BWGPIIKVZWELRF-SCTDSRPQSA-N 1 3 324.472 2.765 20 0 DFADHO C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000631661719 400063519 /nfs/dbraw/zinc/06/35/19/400063519.db2.gz BWGPIIKVZWELRF-YQVWRLOYSA-N 1 3 324.472 2.765 20 0 DFADHO C[C@H](Cc1cnccn1)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661719 400063520 /nfs/dbraw/zinc/06/35/20/400063520.db2.gz BWGPIIKVZWELRF-YQVWRLOYSA-N 1 3 324.472 2.765 20 0 DFADHO C[C@H](Cc1cnccn1)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661719 400063521 /nfs/dbraw/zinc/06/35/21/400063521.db2.gz BWGPIIKVZWELRF-YQVWRLOYSA-N 1 3 324.472 2.765 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC[C@H](O)C(F)F)CC2)C1 ZINC000631699506 400068066 /nfs/dbraw/zinc/06/80/66/400068066.db2.gz ZXSQDGFLSGJUEI-YUELXQCFSA-N 1 3 304.425 2.635 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@H](O)C(F)F)CC2)C1 ZINC000631699506 400068068 /nfs/dbraw/zinc/06/80/68/400068068.db2.gz ZXSQDGFLSGJUEI-YUELXQCFSA-N 1 3 304.425 2.635 20 0 DFADHO N[C@H]1CCCCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000631832485 400078483 /nfs/dbraw/zinc/07/84/83/400078483.db2.gz GZOBVNYIIXLQME-ZDUSSCGKSA-N 1 3 309.841 2.872 20 0 DFADHO N[C@H]1CCCCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000631832485 400078484 /nfs/dbraw/zinc/07/84/84/400078484.db2.gz GZOBVNYIIXLQME-ZDUSSCGKSA-N 1 3 309.841 2.872 20 0 DFADHO CCc1ccc([C@@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)N(C)C)cc1 ZINC000236960232 146032543 /nfs/dbraw/zinc/03/25/43/146032543.db2.gz WYNFWSHFZKKBKM-MJGOQNOKSA-N 1 3 317.477 2.500 20 0 DFADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)[C@@H]1c1cccs1 ZINC000237080134 146036089 /nfs/dbraw/zinc/03/60/89/146036089.db2.gz MEFNSMFZCGSMIG-NWANDNLSSA-N 1 3 323.506 2.621 20 0 DFADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)[C@@H]1c1cccs1 ZINC000237080134 146036091 /nfs/dbraw/zinc/03/60/91/146036091.db2.gz MEFNSMFZCGSMIG-NWANDNLSSA-N 1 3 323.506 2.621 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245415621 146066953 /nfs/dbraw/zinc/06/69/53/146066953.db2.gz DJOXYJKVXMNMMN-MAUKXSAKSA-N 1 3 306.450 2.736 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245415621 146066954 /nfs/dbraw/zinc/06/69/54/146066954.db2.gz DJOXYJKVXMNMMN-MAUKXSAKSA-N 1 3 306.450 2.736 20 0 DFADHO Cc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(-c2ccnn2C)c1 ZINC000261656345 146255353 /nfs/dbraw/zinc/25/53/53/146255353.db2.gz BITWOPBOXHSSNH-RYQLBKOJSA-N 1 3 310.445 2.565 20 0 DFADHO CN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261732908 146268248 /nfs/dbraw/zinc/26/82/48/146268248.db2.gz HJFCOGVKBXEFAR-RTBURBONSA-N 1 3 301.478 2.582 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(c2ccccn2)CC1 ZINC000261762157 146272258 /nfs/dbraw/zinc/27/22/58/146272258.db2.gz PYSXJHMAAWRXNF-FUHWJXTLSA-N 1 3 316.493 2.951 20 0 DFADHO C[NH2+][C@H](C)Cc1noc(C2CCN(Cc3ccccc3)CC2)n1 ZINC000261795961 146277522 /nfs/dbraw/zinc/27/75/22/146277522.db2.gz OVPQVLMTWOKOES-CQSZACIVSA-N 1 3 314.433 2.600 20 0 DFADHO Cc1ccc(CN2CCC[C@H]([C@H](C)[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261811303 146279969 /nfs/dbraw/zinc/27/99/69/146279969.db2.gz HQJODULEHMZSCD-HOTGVXAUSA-N 1 3 312.461 2.955 20 0 DFADHO Nc1ncc(C[NH2+]CC2CCN(Cc3ccccc3)CC2)s1 ZINC000261833720 146286327 /nfs/dbraw/zinc/28/63/27/146286327.db2.gz JQVSRDGBRZFWBX-UHFFFAOYSA-N 1 3 316.474 2.727 20 0 DFADHO CCOc1ccc(OCCN2CCC(CC[NH2+]C)CC2)cc1 ZINC000261852927 146289188 /nfs/dbraw/zinc/28/91/88/146289188.db2.gz DRIBUVGGUUAZQJ-UHFFFAOYSA-N 1 3 306.450 2.786 20 0 DFADHO Cc1ccc(C[N@H+](C)CC(C)(C)CN)c(-c2ccnn2C)c1 ZINC000262033448 146324646 /nfs/dbraw/zinc/32/46/46/146324646.db2.gz XKXWZLSUUWGGNK-UHFFFAOYSA-N 1 3 300.450 2.812 20 0 DFADHO Cc1ccc(C[N@@H+](C)CC(C)(C)CN)c(-c2ccnn2C)c1 ZINC000262033448 146324649 /nfs/dbraw/zinc/32/46/49/146324649.db2.gz XKXWZLSUUWGGNK-UHFFFAOYSA-N 1 3 300.450 2.812 20 0 DFADHO Cc1ccc(CN(C)CC(C)(C)C[NH3+])c(-c2ccnn2C)c1 ZINC000262033448 146324651 /nfs/dbraw/zinc/32/46/51/146324651.db2.gz XKXWZLSUUWGGNK-UHFFFAOYSA-N 1 3 300.450 2.812 20 0 DFADHO Clc1cc2c(c(CN3CCC4(C3)CC[NH2+]CC4)c1)OCC2 ZINC000262069945 146329978 /nfs/dbraw/zinc/32/99/78/146329978.db2.gz RXSMYGUFFANECS-UHFFFAOYSA-N 1 3 306.837 2.850 20 0 DFADHO COCc1cccc(OCC2(CNCC3([NH3+])CCC3)CCC2)c1 ZINC000262118989 146335369 /nfs/dbraw/zinc/33/53/69/146335369.db2.gz LRJRIEQQCFZNAK-UHFFFAOYSA-N 1 3 318.461 2.853 20 0 DFADHO CCN(CC1CCN(c2ccccn2)CC1)C[C@]1(C)CC[NH2+]C1 ZINC000262115831 146335449 /nfs/dbraw/zinc/33/54/49/146335449.db2.gz WXPYEHZRKOSKKJ-LJQANCHMSA-N 1 3 316.493 2.620 20 0 DFADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[C@@H](C)CCN2)c1 ZINC000262518119 146366581 /nfs/dbraw/zinc/36/65/81/146366581.db2.gz NTLCVYFHLJJCRI-WMLDXEAASA-N 1 3 303.450 2.855 20 0 DFADHO CCOc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1OC ZINC000350174903 286014895 /nfs/dbraw/zinc/01/48/95/286014895.db2.gz DTTBWIXYKQSDEZ-UHFFFAOYSA-N 1 3 306.450 2.868 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nc(C)oc2C)[C@@H](C)C1 ZINC000357780501 148119294 /nfs/dbraw/zinc/11/92/94/148119294.db2.gz WJPWMTQJDJQLPW-WMLDXEAASA-N 1 3 323.481 2.561 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nc(C)oc2C)[C@@H](C)C1 ZINC000357780501 148119299 /nfs/dbraw/zinc/11/92/99/148119299.db2.gz WJPWMTQJDJQLPW-WMLDXEAASA-N 1 3 323.481 2.561 20 0 DFADHO CC(C)[C@@H]1C[C@H](CNCc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425892862 296602942 /nfs/dbraw/zinc/60/29/42/296602942.db2.gz AVJDHKALXLPKKY-KDOFPFPSSA-N 1 3 321.465 2.682 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCOC2CCCC2)[C@H](C)C1 ZINC000358016755 148213503 /nfs/dbraw/zinc/21/35/03/148213503.db2.gz HLDHBOYJRWONFG-SJLPKXTDSA-N 1 3 312.498 2.672 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCOC2CCCC2)[C@H](C)C1 ZINC000358016755 148213509 /nfs/dbraw/zinc/21/35/09/148213509.db2.gz HLDHBOYJRWONFG-SJLPKXTDSA-N 1 3 312.498 2.672 20 0 DFADHO CCO[C@@H](CCNCc1cc(C2CC[NH2+]CC2)no1)C(C)C ZINC000425903864 296603681 /nfs/dbraw/zinc/60/36/81/296603681.db2.gz WYFPKRXGXNZSHR-KRWDZBQOSA-N 1 3 309.454 2.682 20 0 DFADHO CO[C@H](c1ccccc1)[C@H](C)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000279609516 286024046 /nfs/dbraw/zinc/02/40/46/286024046.db2.gz XFRVBZGETSUNNF-LNLFQRSKSA-N 1 3 320.477 2.853 20 0 DFADHO CO[C@H](c1ccccc1)[C@H](C)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000279609516 286024048 /nfs/dbraw/zinc/02/40/48/286024048.db2.gz XFRVBZGETSUNNF-LNLFQRSKSA-N 1 3 320.477 2.853 20 0 DFADHO OCC[C@H](NCc1cc(C2CC[NH2+]CC2)no1)C1CCCCC1 ZINC000425897495 296603340 /nfs/dbraw/zinc/60/33/40/296603340.db2.gz UQCZCNQKLSBJLI-KRWDZBQOSA-N 1 3 321.465 2.563 20 0 DFADHO Cc1ccc2cc([C@@H](C)[NH2+]CC3(O)CCN(C)CC3)oc2c1 ZINC000426038118 296610904 /nfs/dbraw/zinc/61/09/04/296610904.db2.gz XUNFFZXUOVMHHS-CQSZACIVSA-N 1 3 302.418 2.849 20 0 DFADHO Fc1ccccc1N1CC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000361009708 149006977 /nfs/dbraw/zinc/00/69/77/149006977.db2.gz MHEQKKFHDQGOLT-ZACQAIPSSA-N 1 3 317.452 2.868 20 0 DFADHO Fc1ccccc1N1CC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000361009708 149006979 /nfs/dbraw/zinc/00/69/79/149006979.db2.gz MHEQKKFHDQGOLT-ZACQAIPSSA-N 1 3 317.452 2.868 20 0 DFADHO Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000361009708 149006982 /nfs/dbraw/zinc/00/69/82/149006982.db2.gz MHEQKKFHDQGOLT-ZACQAIPSSA-N 1 3 317.452 2.868 20 0 DFADHO CCN1CCC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000361011505 149007370 /nfs/dbraw/zinc/00/73/70/149007370.db2.gz DTNZEOHJVUVRHC-QGZVFWFLSA-N 1 3 302.462 2.876 20 0 DFADHO C[C@@H]1CN([C@@H]2C[C@H]2c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000361348300 149093664 /nfs/dbraw/zinc/09/36/64/149093664.db2.gz JIDJWBGVDUFDBL-GSEOLPGOSA-N 1 3 313.489 2.500 20 0 DFADHO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc(OCCN(C)C)c1 ZINC000361396334 149104782 /nfs/dbraw/zinc/10/47/82/149104782.db2.gz GARVOLPQDOZFRC-CRAIPNDOSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN1C ZINC000361494980 149130359 /nfs/dbraw/zinc/13/03/59/149130359.db2.gz BBEJFIAZDSNKBA-SOLBZPMBSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCN1C ZINC000361494980 149130361 /nfs/dbraw/zinc/13/03/61/149130361.db2.gz BBEJFIAZDSNKBA-SOLBZPMBSA-N 1 3 321.509 2.582 20 0 DFADHO OC1(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000361685818 149192032 /nfs/dbraw/zinc/19/20/32/149192032.db2.gz GPPQGRJBRPAVDX-RTBURBONSA-N 1 3 314.473 2.888 20 0 DFADHO OC1(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000361685818 149192034 /nfs/dbraw/zinc/19/20/34/149192034.db2.gz GPPQGRJBRPAVDX-RTBURBONSA-N 1 3 314.473 2.888 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCc1nc(C(F)(F)F)cs1 ZINC000361806230 149224727 /nfs/dbraw/zinc/22/47/27/149224727.db2.gz GALIRLNRTSAZFC-NXEZZACHSA-N 1 3 307.385 2.634 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCc1nc(C(F)(F)F)cs1 ZINC000361806230 149224729 /nfs/dbraw/zinc/22/47/29/149224729.db2.gz GALIRLNRTSAZFC-NXEZZACHSA-N 1 3 307.385 2.634 20 0 DFADHO CC1CCN(C(=[NH2+])NC[C@H]2CCN(C)[C@@H]2c2cccs2)CC1 ZINC000361947170 149262605 /nfs/dbraw/zinc/26/26/05/149262605.db2.gz ZAWGPQJBVWUTIV-ZBFHGGJFSA-N 1 3 320.506 2.997 20 0 DFADHO Cc1ccccc1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000362641112 149331414 /nfs/dbraw/zinc/33/14/14/149331414.db2.gz OLBOFYNWEJAJSD-KRWDZBQOSA-N 1 3 301.478 2.595 20 0 DFADHO Cc1ccccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000362641112 149331415 /nfs/dbraw/zinc/33/14/15/149331415.db2.gz OLBOFYNWEJAJSD-KRWDZBQOSA-N 1 3 301.478 2.595 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(OCc4ccncc4)cc3)C[C@H]12 ZINC000351472899 286128908 /nfs/dbraw/zinc/12/89/08/286128908.db2.gz BSZYQOKCXGUDMX-YSIASYRMSA-N 1 3 323.440 2.830 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(CCOc3ccccc3C(F)(F)F)C[C@H]12 ZINC000351475823 286129393 /nfs/dbraw/zinc/12/93/93/286129393.db2.gz JKIQXZDGTSQEQN-SGMGOOAPSA-N 1 3 314.351 2.753 20 0 DFADHO Cc1nc(C[C@H]2CCC[N@@H+](CC[C@H]3CCCCN3C)C2)no1 ZINC000351545331 286149230 /nfs/dbraw/zinc/14/92/30/286149230.db2.gz OWTPDHKGCIYNLX-HZPDHXFCSA-N 1 3 306.454 2.507 20 0 DFADHO Cc1nc(C[C@H]2CCC[N@H+](CC[C@H]3CCCCN3C)C2)no1 ZINC000351545331 286149233 /nfs/dbraw/zinc/14/92/33/286149233.db2.gz OWTPDHKGCIYNLX-HZPDHXFCSA-N 1 3 306.454 2.507 20 0 DFADHO C[N@H+](C[C@H](O)CN1CCC[C@@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591432 286162246 /nfs/dbraw/zinc/16/22/46/286162246.db2.gz FBGQTSQTMDJNDJ-BEFAXECRSA-N 1 3 320.452 2.850 20 0 DFADHO C[N@@H+](C[C@H](O)CN1CCC[C@@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591432 286162249 /nfs/dbraw/zinc/16/22/49/286162249.db2.gz FBGQTSQTMDJNDJ-BEFAXECRSA-N 1 3 320.452 2.850 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CCc4cnccn4)[C@H]3C2)cc1 ZINC000371665297 150078394 /nfs/dbraw/zinc/07/83/94/150078394.db2.gz LSBZPLLZCAQDBI-IHPCNDPISA-N 1 3 322.456 2.519 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCCc4cnccn4)[C@H]3C2)cc1 ZINC000371665297 150078398 /nfs/dbraw/zinc/07/83/98/150078398.db2.gz LSBZPLLZCAQDBI-IHPCNDPISA-N 1 3 322.456 2.519 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCCc4cnccn4)[C@H]3C2)cc1 ZINC000371665297 150078400 /nfs/dbraw/zinc/07/84/00/150078400.db2.gz LSBZPLLZCAQDBI-IHPCNDPISA-N 1 3 322.456 2.519 20 0 DFADHO C[N@H+](C[C@@H](O)CN1CCC[C@@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591433 286162186 /nfs/dbraw/zinc/16/21/86/286162186.db2.gz FBGQTSQTMDJNDJ-DNVCBOLYSA-N 1 3 320.452 2.850 20 0 DFADHO C[N@@H+](C[C@@H](O)CN1CCC[C@@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591433 286162190 /nfs/dbraw/zinc/16/21/90/286162190.db2.gz FBGQTSQTMDJNDJ-DNVCBOLYSA-N 1 3 320.452 2.850 20 0 DFADHO CCc1nccn1[C@@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351598738 286164802 /nfs/dbraw/zinc/16/48/02/286164802.db2.gz VEUDYCGZIWBMIS-IAGOWNOFSA-N 1 3 304.482 2.957 20 0 DFADHO CCc1nccn1[C@@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351598738 286164803 /nfs/dbraw/zinc/16/48/03/286164803.db2.gz VEUDYCGZIWBMIS-IAGOWNOFSA-N 1 3 304.482 2.957 20 0 DFADHO CCc1nccn1[C@@H]1CCC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000351598738 286164804 /nfs/dbraw/zinc/16/48/04/286164804.db2.gz VEUDYCGZIWBMIS-IAGOWNOFSA-N 1 3 304.482 2.957 20 0 DFADHO CCc1nccn1[C@@H]1CCC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000351598738 286164805 /nfs/dbraw/zinc/16/48/05/286164805.db2.gz VEUDYCGZIWBMIS-IAGOWNOFSA-N 1 3 304.482 2.957 20 0 DFADHO O=C(Nc1cccc(CN2CCCCC2)c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372433016 150172599 /nfs/dbraw/zinc/17/25/99/150172599.db2.gz ZNUOQHUQTCTAKR-PKOBYXMFSA-N 1 3 313.445 2.611 20 0 DFADHO C[C@H](CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000374420426 150364943 /nfs/dbraw/zinc/36/49/43/150364943.db2.gz LIKWEUJURPMMCN-OQIJWPOYSA-N 1 3 302.462 2.974 20 0 DFADHO CCN(CCC[NH+](CC)CC)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000351803679 286222413 /nfs/dbraw/zinc/22/24/13/286222413.db2.gz GAOAWUILJCBCOA-BBWFWOEESA-N 1 3 311.514 2.828 20 0 DFADHO C[C@@H](F)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351886217 286237453 /nfs/dbraw/zinc/23/74/53/286237453.db2.gz CESJXVHHOGPYCI-OAGGEKHMSA-N 1 3 300.462 2.946 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000352018055 286270907 /nfs/dbraw/zinc/27/09/07/286270907.db2.gz MZZLCIAAZDTZTM-MJGOQNOKSA-N 1 3 300.446 2.940 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000352018055 286270909 /nfs/dbraw/zinc/27/09/09/286270909.db2.gz MZZLCIAAZDTZTM-MJGOQNOKSA-N 1 3 300.446 2.940 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000352139996 286302231 /nfs/dbraw/zinc/30/22/31/286302231.db2.gz IRXAUKXAZOHSBT-DLBZAZTESA-N 1 3 305.466 2.572 20 0 DFADHO CCCN1CCN(c2ccccc2C[N@H+](C)[C@@H](C)COC)CC1 ZINC000352311769 286341958 /nfs/dbraw/zinc/34/19/58/286341958.db2.gz ZADAHFKDXAUKHD-KRWDZBQOSA-N 1 3 319.493 2.685 20 0 DFADHO CCCN1CCN(c2ccccc2C[N@@H+](C)[C@@H](C)COC)CC1 ZINC000352311769 286341959 /nfs/dbraw/zinc/34/19/59/286341959.db2.gz ZADAHFKDXAUKHD-KRWDZBQOSA-N 1 3 319.493 2.685 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000352349919 286350132 /nfs/dbraw/zinc/35/01/32/286350132.db2.gz IIZIQDMFUUGKNH-AEFFLSMTSA-N 1 3 319.493 2.790 20 0 DFADHO CC[C@@H]1CN(C/C=C/C[N@@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439470875 297127165 /nfs/dbraw/zinc/12/71/65/297127165.db2.gz FEFBBCSJGLFIGL-PJHKVULZSA-N 1 3 310.482 2.544 20 0 DFADHO CC[C@@H]1CN(C/C=C/C[N@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439470875 297127166 /nfs/dbraw/zinc/12/71/66/297127166.db2.gz FEFBBCSJGLFIGL-PJHKVULZSA-N 1 3 310.482 2.544 20 0 DFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)C1CCC(F)(F)CC1 ZINC000353278904 286599406 /nfs/dbraw/zinc/59/94/06/286599406.db2.gz QEYJGXCMOFEXHQ-CQSZACIVSA-N 1 3 317.468 2.816 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2nc3cc(F)ccc3n2C)[C@@H](C)C1 ZINC000246491310 158093927 /nfs/dbraw/zinc/09/39/27/158093927.db2.gz RXXVIEMKHJKTKI-ZFWWWQNUSA-N 1 3 318.440 2.575 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2nc3cc(F)ccc3n2C)[C@@H](C)C1 ZINC000246491310 158093928 /nfs/dbraw/zinc/09/39/28/158093928.db2.gz RXXVIEMKHJKTKI-ZFWWWQNUSA-N 1 3 318.440 2.575 20 0 DFADHO CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCN(CC)C[C@H]2C)c1 ZINC000246970045 158110549 /nfs/dbraw/zinc/11/05/49/158110549.db2.gz JAWOTQAROGZZSE-CRAIPNDOSA-N 1 3 317.477 2.646 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc([S@](C)=O)cc1 ZINC000246993718 158112614 /nfs/dbraw/zinc/11/26/14/158112614.db2.gz JMWZRHKPNLLAQX-FAIQAVJNSA-N 1 3 308.491 2.947 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247194436 158123161 /nfs/dbraw/zinc/12/31/61/158123161.db2.gz UPTUBLZILRVHAD-OIPACUDHSA-N 1 3 306.450 2.781 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000247194436 158123164 /nfs/dbraw/zinc/12/31/64/158123164.db2.gz UPTUBLZILRVHAD-OIPACUDHSA-N 1 3 306.450 2.781 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cccc(OCCN(C)C)c1 ZINC000247922673 158151769 /nfs/dbraw/zinc/15/17/69/158151769.db2.gz BJLLOCTYMBCGHD-KVSKMBFKSA-N 1 3 320.477 2.829 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2cccc(OC)c2)N(C)C)[C@@H](C)C1 ZINC000247889644 158152339 /nfs/dbraw/zinc/15/23/39/158152339.db2.gz FBOUMTGUAIKONO-SNRMKQJTSA-N 1 3 319.493 2.618 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](c2cccc(OC)c2)N(C)C)[C@@H](C)C1 ZINC000247889644 158152341 /nfs/dbraw/zinc/15/23/41/158152341.db2.gz FBOUMTGUAIKONO-SNRMKQJTSA-N 1 3 319.493 2.618 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2cccc(OC)c2)N(C)C)[C@@H](C)C1 ZINC000247889644 158152344 /nfs/dbraw/zinc/15/23/44/158152344.db2.gz FBOUMTGUAIKONO-SNRMKQJTSA-N 1 3 319.493 2.618 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccccn2)[C@@H](C)C1 ZINC000248040388 158158236 /nfs/dbraw/zinc/15/82/36/158158236.db2.gz STGYOIDWDDAEEC-BBWFWOEESA-N 1 3 305.466 2.869 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)CN2CCCC2)[C@H]1C ZINC000355143229 158284139 /nfs/dbraw/zinc/28/41/39/158284139.db2.gz ZRPLVVKIIPQDKK-JYJNAYRXSA-N 1 3 310.482 2.676 20 0 DFADHO C[C@H](CO)CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000356903808 158320772 /nfs/dbraw/zinc/32/07/72/158320772.db2.gz SONKGLHPQQFVMW-IJXRJRJASA-N 1 3 316.489 2.895 20 0 DFADHO C[C@H](CO)CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000356903830 158320837 /nfs/dbraw/zinc/32/08/37/158320837.db2.gz SONKGLHPQQFVMW-OJAHFUOMSA-N 1 3 316.489 2.895 20 0 DFADHO c1nn(-c2ccccc2)cc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357042680 158354750 /nfs/dbraw/zinc/35/47/50/158354750.db2.gz FTUCHPJZJCQCBT-SFHVURJKSA-N 1 3 310.445 2.694 20 0 DFADHO CCOc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357044882 158356054 /nfs/dbraw/zinc/35/60/54/158356054.db2.gz HJZXSXRSSOIGNV-KRWDZBQOSA-N 1 3 318.461 2.915 20 0 DFADHO c1csc(-c2n[nH]cc2CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357045239 158356222 /nfs/dbraw/zinc/35/62/22/158356222.db2.gz HVHHMOGSNFUMTA-AWEZNQCLSA-N 1 3 316.474 2.960 20 0 DFADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)Nc1cccc2ccccc21 ZINC000358506354 158382999 /nfs/dbraw/zinc/38/29/99/158382999.db2.gz JKEVLQLBMZGHHB-UHFFFAOYSA-N 1 3 323.440 2.854 20 0 DFADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000314587249 287268704 /nfs/dbraw/zinc/26/87/04/287268704.db2.gz DTAUIBKZRRIWLM-RDBSUJKOSA-N 1 3 308.388 2.950 20 0 DFADHO Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000132748719 196279830 /nfs/dbraw/zinc/27/98/30/196279830.db2.gz IODRNEYIJUGZIM-LIRRHRJNSA-N 1 3 318.436 2.904 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CC1 ZINC000132804161 196285226 /nfs/dbraw/zinc/28/52/26/196285226.db2.gz ZVBVIPMNNMEHND-IBGZPJMESA-N 1 3 302.462 2.922 20 0 DFADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667834684 543689027 /nfs/dbraw/zinc/68/90/27/543689027.db2.gz ZMLCSQOSYKKVGJ-MJGOQNOKSA-N 1 3 318.461 2.674 20 0 DFADHO NCc1cccc(NC(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000667734338 543669951 /nfs/dbraw/zinc/66/99/51/543669951.db2.gz VHXMVZOAMIINQT-UHFFFAOYSA-N 1 3 304.438 2.533 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000667785617 543678456 /nfs/dbraw/zinc/67/84/56/543678456.db2.gz VBTJYMGKCXBSDU-HSALFYBXSA-N 1 3 313.489 2.712 20 0 DFADHO CC1=CC[C@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000668488603 543814328 /nfs/dbraw/zinc/81/43/28/543814328.db2.gz CWEAMHVBNSTGGX-OALUTQOASA-N 1 3 300.446 2.842 20 0 DFADHO C[C@@H](O)C1(NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000668700891 543848234 /nfs/dbraw/zinc/84/82/34/543848234.db2.gz NDAIKVZOUIUAPL-HZPDHXFCSA-N 1 3 302.462 2.585 20 0 DFADHO CO[C@@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)[C@@H](C)C1 ZINC000669621115 543976862 /nfs/dbraw/zinc/97/68/62/543976862.db2.gz GYLLIHSYBHXUNH-MAUKXSAKSA-N 1 3 306.450 2.626 20 0 DFADHO CO[C@@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)[C@@H](C)C1 ZINC000669621115 543976866 /nfs/dbraw/zinc/97/68/66/543976866.db2.gz GYLLIHSYBHXUNH-MAUKXSAKSA-N 1 3 306.450 2.626 20 0 DFADHO COCC1(C[NH2+]Cc2ccc(OCCN(C)C)cc2)CCC1 ZINC000669685516 543983454 /nfs/dbraw/zinc/98/34/54/543983454.db2.gz ZBOFFKDGTCDYJJ-UHFFFAOYSA-N 1 3 306.450 2.533 20 0 DFADHO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000671748409 544106037 /nfs/dbraw/zinc/10/60/37/544106037.db2.gz GUPFXFHBTVIOPA-NRSFXHEJSA-N 1 3 316.445 2.981 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](CO)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000672619127 544144029 /nfs/dbraw/zinc/14/40/29/544144029.db2.gz JEJNDFSKGJAWDO-KMFMINBZSA-N 1 3 310.869 2.736 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](CO)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000672619127 544144032 /nfs/dbraw/zinc/14/40/32/544144032.db2.gz JEJNDFSKGJAWDO-KMFMINBZSA-N 1 3 310.869 2.736 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]C[C@H]2CCCSC2)cc1 ZINC000673616145 544187055 /nfs/dbraw/zinc/18/70/55/544187055.db2.gz ARTBUHHVHUHCOV-MRXNPFEDSA-N 1 3 308.491 2.860 20 0 DFADHO COCCOCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000291284599 222286369 /nfs/dbraw/zinc/28/63/69/222286369.db2.gz RKZXGMCYRNEEBP-YQQQUEKLSA-N 1 3 318.461 2.564 20 0 DFADHO Cn1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000291394585 222363476 /nfs/dbraw/zinc/36/34/76/222363476.db2.gz CZKAIPFLDCFNJK-UHFFFAOYSA-N 1 3 324.472 2.908 20 0 DFADHO CCC(CC)(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000675447311 544311915 /nfs/dbraw/zinc/31/19/15/544311915.db2.gz OTEKYKITUHJBDS-UHFFFAOYSA-N 1 3 323.525 2.878 20 0 DFADHO CC(C)N1CCC([NH2+]CCN2CCc3ccccc3C2)CC1 ZINC000675736943 544332490 /nfs/dbraw/zinc/33/24/90/544332490.db2.gz OBPJXKWRYGGVII-UHFFFAOYSA-N 1 3 301.478 2.507 20 0 DFADHO CC(C)[NH+]1CCC(NCCN2CCc3ccccc3C2)CC1 ZINC000675736943 544332491 /nfs/dbraw/zinc/33/24/91/544332491.db2.gz OBPJXKWRYGGVII-UHFFFAOYSA-N 1 3 301.478 2.507 20 0 DFADHO CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000677475035 544495330 /nfs/dbraw/zinc/49/53/30/544495330.db2.gz LCYHPVPHAVEEEW-GOSISDBHSA-N 1 3 315.461 2.809 20 0 DFADHO CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000677475035 544495333 /nfs/dbraw/zinc/49/53/33/544495333.db2.gz LCYHPVPHAVEEEW-GOSISDBHSA-N 1 3 315.461 2.809 20 0 DFADHO CCCN1CCC([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000678773238 544719058 /nfs/dbraw/zinc/71/90/58/544719058.db2.gz HPDXHPIHWJDTQY-UHFFFAOYSA-N 1 3 316.493 2.762 20 0 DFADHO C[C@@H](C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(F)cc1 ZINC000678957126 544756720 /nfs/dbraw/zinc/75/67/20/544756720.db2.gz SAAQDPVDHKAKOJ-YJBOKZPZSA-N 1 3 319.468 2.687 20 0 DFADHO CCN1C[C@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)[C@@H](C)C1 ZINC000679075293 544780221 /nfs/dbraw/zinc/78/02/21/544780221.db2.gz IIGAJHWFYFHXSX-BXWFABGCSA-N 1 3 319.493 2.618 20 0 DFADHO COc1ccc(CN2CCC(C[NH2+]C3CSC3)CC2)cc1 ZINC000679840855 544916352 /nfs/dbraw/zinc/91/63/52/544916352.db2.gz OEAGGVNSZRZRBS-UHFFFAOYSA-N 1 3 306.475 2.612 20 0 DFADHO Cc1cc(N2CCN(CCN(C)Cc3ccccc3)CC2)cc[nH+]1 ZINC000302558555 230295257 /nfs/dbraw/zinc/29/52/57/230295257.db2.gz KRRKVVUDZYSFAR-UHFFFAOYSA-N 1 3 324.472 2.644 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(F)ccc2F)C[C@@H](C)O1 ZINC000067452671 425910890 /nfs/dbraw/zinc/91/08/90/425910890.db2.gz PUORNFMCLZJNGV-ZIAGYGMSSA-N 1 3 312.404 2.944 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000155578594 425921554 /nfs/dbraw/zinc/92/15/54/425921554.db2.gz HHOCTJWDZYZDKL-CABCVRRESA-N 1 3 323.456 2.511 20 0 DFADHO CCSCC[C@H](C)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192771569 268048070 /nfs/dbraw/zinc/04/80/70/268048070.db2.gz HFNJLQHHOUROOD-KRWDZBQOSA-N 1 3 315.571 2.866 20 0 DFADHO CCSCC[C@H](C)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192771569 268048073 /nfs/dbraw/zinc/04/80/73/268048073.db2.gz HFNJLQHHOUROOD-KRWDZBQOSA-N 1 3 315.571 2.866 20 0 DFADHO C[C@@H](C1CC1)N(CC(O)C[N@H+]([C@@H](C)C1CC1)C1CC1)C1CC1 ZINC000194419021 268102405 /nfs/dbraw/zinc/10/24/05/268102405.db2.gz MRDGBIXUBYADJC-KBPBESRZSA-N 1 3 306.494 2.873 20 0 DFADHO C[C@@H](C1CC1)N(CC(O)C[N@@H+]([C@@H](C)C1CC1)C1CC1)C1CC1 ZINC000194419021 268102407 /nfs/dbraw/zinc/10/24/07/268102407.db2.gz MRDGBIXUBYADJC-KBPBESRZSA-N 1 3 306.494 2.873 20 0 DFADHO CC[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000300225907 268321457 /nfs/dbraw/zinc/32/14/57/268321457.db2.gz UCLFYFKDEYITNL-BYNSBNAKSA-N 1 3 313.486 2.608 20 0 DFADHO CC[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000300225907 268321459 /nfs/dbraw/zinc/32/14/59/268321459.db2.gz UCLFYFKDEYITNL-BYNSBNAKSA-N 1 3 313.486 2.608 20 0 DFADHO CC[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000300225909 268321577 /nfs/dbraw/zinc/32/15/77/268321577.db2.gz UCLFYFKDEYITNL-LXTVHRRPSA-N 1 3 313.486 2.608 20 0 DFADHO CC[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000300225909 268321580 /nfs/dbraw/zinc/32/15/80/268321580.db2.gz UCLFYFKDEYITNL-LXTVHRRPSA-N 1 3 313.486 2.608 20 0 DFADHO Fc1cccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)c1 ZINC000323936077 268350135 /nfs/dbraw/zinc/35/01/35/268350135.db2.gz ZAUONXFWVWZZMP-GASCZTMLSA-N 1 3 315.392 2.912 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000124807428 425939107 /nfs/dbraw/zinc/93/91/07/425939107.db2.gz VAOZAMPYGWQFCR-DTDBQYNISA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000124807428 425939109 /nfs/dbraw/zinc/93/91/09/425939109.db2.gz VAOZAMPYGWQFCR-DTDBQYNISA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000124807428 425939111 /nfs/dbraw/zinc/93/91/11/425939111.db2.gz VAOZAMPYGWQFCR-DTDBQYNISA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1C[C@H](NCCOCC[NH+](C)C)c2ccsc2S1 ZINC000336806183 268434854 /nfs/dbraw/zinc/43/48/54/268434854.db2.gz KEWXUGRDASNXCO-YPMHNXCESA-N 1 3 300.493 2.841 20 0 DFADHO C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCOC4(CCSCC4)C3)CCN2C1 ZINC000158071108 425940458 /nfs/dbraw/zinc/94/04/58/425940458.db2.gz HTSVJADNNBVBQV-ARFHVFGLSA-N 1 3 310.507 2.648 20 0 DFADHO C1C[C@@H]2C[C@@H](N[C@@H]3CCOC4(CCSCC4)C3)CC[N@@H+]2C1 ZINC000158071108 425940460 /nfs/dbraw/zinc/94/04/60/425940460.db2.gz HTSVJADNNBVBQV-ARFHVFGLSA-N 1 3 310.507 2.648 20 0 DFADHO C1C[C@@H]2C[C@@H](N[C@@H]3CCOC4(CCSCC4)C3)CC[N@H+]2C1 ZINC000158071108 425940463 /nfs/dbraw/zinc/94/04/63/425940463.db2.gz HTSVJADNNBVBQV-ARFHVFGLSA-N 1 3 310.507 2.648 20 0 DFADHO COCCC[NH+]1CCC(N[C@@H]2CCc3ccc(OC)cc32)CC1 ZINC000159092720 425953683 /nfs/dbraw/zinc/95/36/83/425953683.db2.gz BWBFSBCBNZVREN-LJQANCHMSA-N 1 3 318.461 2.773 20 0 DFADHO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CC1 ZINC000104966852 425967174 /nfs/dbraw/zinc/96/71/74/425967174.db2.gz VGWBHPJHWUPICO-LSDHHAIUSA-N 1 3 321.509 2.628 20 0 DFADHO CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CC1 ZINC000104966852 425967176 /nfs/dbraw/zinc/96/71/76/425967176.db2.gz VGWBHPJHWUPICO-LSDHHAIUSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccccc2Cl)C1 ZINC000070174123 425968983 /nfs/dbraw/zinc/96/89/83/425968983.db2.gz GMBUBVOVNHVZNV-STQMWFEESA-N 1 3 309.841 2.728 20 0 DFADHO COC[C@H]([NH2+]CC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000125543800 425978397 /nfs/dbraw/zinc/97/83/97/425978397.db2.gz OBXHGLUJWMWOQK-KRWDZBQOSA-N 1 3 308.491 2.975 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1CC1 ZINC000126742800 426034957 /nfs/dbraw/zinc/03/49/57/426034957.db2.gz FYYQKQONPVAQDA-LJQANCHMSA-N 1 3 301.478 2.712 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCc2ccc(NCCOC)cc2)[C@H](C)C1 ZINC000127060480 426049649 /nfs/dbraw/zinc/04/96/49/426049649.db2.gz JRVZFCZSEWIVFF-CRAIPNDOSA-N 1 3 305.466 2.565 20 0 DFADHO CC[N@H+]1CC[C@@H](NCc2ccc(NCCOC)cc2)[C@H](C)C1 ZINC000127060480 426049650 /nfs/dbraw/zinc/04/96/50/426049650.db2.gz JRVZFCZSEWIVFF-CRAIPNDOSA-N 1 3 305.466 2.565 20 0 DFADHO C[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)N1CCCCCC1 ZINC000074564914 426054627 /nfs/dbraw/zinc/05/46/27/426054627.db2.gz WMCHWTDLJIDQBO-MRXNPFEDSA-N 1 3 317.477 2.994 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000162181417 426055432 /nfs/dbraw/zinc/05/54/32/426055432.db2.gz GGERRKVELQDFOZ-AEFFLSMTSA-N 1 3 310.482 2.521 20 0 DFADHO Cc1ccc(Cl)cc1N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000111824757 426058955 /nfs/dbraw/zinc/05/89/55/426058955.db2.gz QJKHXSORDBEICO-UHFFFAOYSA-N 1 3 307.869 2.770 20 0 DFADHO CCC[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)N(C)C ZINC000127337034 426061538 /nfs/dbraw/zinc/06/15/38/426061538.db2.gz NCYLUXSNXWBFRR-KRWDZBQOSA-N 1 3 309.498 2.630 20 0 DFADHO CC[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@@H]1CCOC1 ZINC000162581185 426069875 /nfs/dbraw/zinc/06/98/75/426069875.db2.gz RDUROMDMZXOFEO-SJLPKXTDSA-N 1 3 306.450 2.532 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000126176395 426009338 /nfs/dbraw/zinc/00/93/38/426009338.db2.gz QOUOZBUCFVLJKB-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000126176395 426009339 /nfs/dbraw/zinc/00/93/39/426009339.db2.gz QOUOZBUCFVLJKB-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000075860698 426088375 /nfs/dbraw/zinc/08/83/75/426088375.db2.gz XLODDOMUMLDTFT-QGZVFWFLSA-N 1 3 321.440 2.961 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000075860698 426088379 /nfs/dbraw/zinc/08/83/79/426088379.db2.gz XLODDOMUMLDTFT-QGZVFWFLSA-N 1 3 321.440 2.961 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000075860160 426088875 /nfs/dbraw/zinc/08/88/75/426088875.db2.gz RWTYBCVBOUTJHF-OAHLLOKOSA-N 1 3 321.440 2.961 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1ccccc1F ZINC000075860160 426088876 /nfs/dbraw/zinc/08/88/76/426088876.db2.gz RWTYBCVBOUTJHF-OAHLLOKOSA-N 1 3 321.440 2.961 20 0 DFADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCc3cnn(C)c3)CC2)C1 ZINC000127858587 426090176 /nfs/dbraw/zinc/09/01/76/426090176.db2.gz PCRVICWZHWGNEA-MAUKXSAKSA-N 1 3 304.482 2.595 20 0 DFADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCc3cnn(C)c3)CC2)C1 ZINC000127858587 426090179 /nfs/dbraw/zinc/09/01/79/426090179.db2.gz PCRVICWZHWGNEA-MAUKXSAKSA-N 1 3 304.482 2.595 20 0 DFADHO COc1cc(OC)cc([C@H]2CC[N@H+](CC[C@@H]3CCCN3C)C2)c1 ZINC000163237525 426093422 /nfs/dbraw/zinc/09/34/22/426093422.db2.gz AFKLBBUEGZNNHL-RDJZCZTQSA-N 1 3 318.461 2.977 20 0 DFADHO COc1cc(OC)cc([C@H]2CC[N@@H+](CC[C@@H]3CCCN3C)C2)c1 ZINC000163237525 426093424 /nfs/dbraw/zinc/09/34/24/426093424.db2.gz AFKLBBUEGZNNHL-RDJZCZTQSA-N 1 3 318.461 2.977 20 0 DFADHO Cc1cccc(NC[C@@H]2CCN(CCC[NH+]3CCCC3)C2)n1 ZINC000163462496 426099817 /nfs/dbraw/zinc/09/98/17/426099817.db2.gz RKJVGAWDHWTAIZ-KRWDZBQOSA-N 1 3 302.466 2.610 20 0 DFADHO Cc1cccc(NC[C@@H]2CC[N@H+](CCCN3CCCC3)C2)n1 ZINC000163462496 426099819 /nfs/dbraw/zinc/09/98/19/426099819.db2.gz RKJVGAWDHWTAIZ-KRWDZBQOSA-N 1 3 302.466 2.610 20 0 DFADHO Cc1cccc(NC[C@@H]2CC[N@@H+](CCCN3CCCC3)C2)n1 ZINC000163462496 426099822 /nfs/dbraw/zinc/09/98/22/426099822.db2.gz RKJVGAWDHWTAIZ-KRWDZBQOSA-N 1 3 302.466 2.610 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000164082386 426111542 /nfs/dbraw/zinc/11/15/42/426111542.db2.gz AYHHDINUKGWZQJ-ZIAGYGMSSA-N 1 3 313.486 2.610 20 0 DFADHO CC[N@H+]1CC[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000164082386 426111545 /nfs/dbraw/zinc/11/15/45/426111545.db2.gz AYHHDINUKGWZQJ-ZIAGYGMSSA-N 1 3 313.486 2.610 20 0 DFADHO CC(C)CN1CCC([NH2+]CCC(=O)Nc2ccccc2)CC1 ZINC000164946464 426119218 /nfs/dbraw/zinc/11/92/18/426119218.db2.gz BQKIPVVIGGVKGO-UHFFFAOYSA-N 1 3 303.450 2.725 20 0 DFADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1cccc(Cl)c1 ZINC000128492408 426119928 /nfs/dbraw/zinc/11/99/28/426119928.db2.gz AXINEVPDXFTGHI-HNNXBMFYSA-N 1 3 311.857 2.974 20 0 DFADHO C[C@H](C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1)CN1CCCC1 ZINC000165334863 426121964 /nfs/dbraw/zinc/12/19/64/426121964.db2.gz AAMNFSJJSVUFTK-HZPDHXFCSA-N 1 3 313.449 2.650 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000165926664 426124156 /nfs/dbraw/zinc/12/41/56/426124156.db2.gz JUYWWLCILRWDAA-RDTXWAMCSA-N 1 3 321.465 2.652 20 0 DFADHO CC(C)C[C@H](N)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000165996091 426125333 /nfs/dbraw/zinc/12/53/33/426125333.db2.gz NIHPARXKHBWQLZ-KRWDZBQOSA-N 1 3 305.466 2.516 20 0 DFADHO CC(C)C[C@H](N)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000165996091 426125335 /nfs/dbraw/zinc/12/53/35/426125335.db2.gz NIHPARXKHBWQLZ-KRWDZBQOSA-N 1 3 305.466 2.516 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000166352505 426126873 /nfs/dbraw/zinc/12/68/73/426126873.db2.gz PJKHYMALLWUQMU-BQFCYCMXSA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000166352505 426126876 /nfs/dbraw/zinc/12/68/76/426126876.db2.gz PJKHYMALLWUQMU-BQFCYCMXSA-N 1 3 317.477 2.559 20 0 DFADHO CCc1ccc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)s1 ZINC000128663323 426128431 /nfs/dbraw/zinc/12/84/31/426128431.db2.gz KRZIGDDYMRTNMR-OAHLLOKOSA-N 1 3 309.523 2.989 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCN(C)CC1)CCC2 ZINC000166509839 426129180 /nfs/dbraw/zinc/12/91/80/426129180.db2.gz JMHWVSWYLGPSKJ-HXUWFJFHSA-N 1 3 315.505 2.990 20 0 DFADHO C[C@H]1C[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000127676808 426080771 /nfs/dbraw/zinc/08/07/71/426080771.db2.gz PBFKLRNBKXCMFS-WMLDXEAASA-N 1 3 316.424 2.626 20 0 DFADHO C[C@H]1C[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC000127676808 426080773 /nfs/dbraw/zinc/08/07/73/426080773.db2.gz PBFKLRNBKXCMFS-WMLDXEAASA-N 1 3 316.424 2.626 20 0 DFADHO CCOC(=O)CCCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000075835540 426086003 /nfs/dbraw/zinc/08/60/03/426086003.db2.gz BKZXZOHWWANQGB-KRWDZBQOSA-N 1 3 310.482 2.918 20 0 DFADHO CCOC(=O)CCCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000075835540 426086006 /nfs/dbraw/zinc/08/60/06/426086006.db2.gz BKZXZOHWWANQGB-KRWDZBQOSA-N 1 3 310.482 2.918 20 0 DFADHO CCOC(=O)CCCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835540 426086010 /nfs/dbraw/zinc/08/60/10/426086010.db2.gz BKZXZOHWWANQGB-KRWDZBQOSA-N 1 3 310.482 2.918 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000080976973 426218501 /nfs/dbraw/zinc/21/85/01/426218501.db2.gz YBSNDEAYHCJJFD-GOSISDBHSA-N 1 3 317.477 2.526 20 0 DFADHO CN(CCC(=O)Nc1cccc(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841816 426248455 /nfs/dbraw/zinc/24/84/55/426248455.db2.gz APPHUGFOWZZFPS-CQSZACIVSA-N 1 3 323.868 2.942 20 0 DFADHO CN(CCC(=O)Nc1cccc(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841816 426248458 /nfs/dbraw/zinc/24/84/58/426248458.db2.gz APPHUGFOWZZFPS-CQSZACIVSA-N 1 3 323.868 2.942 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000119113459 426263505 /nfs/dbraw/zinc/26/35/05/426263505.db2.gz JVPHIVISLZFTGN-IZBJGVDFSA-N 1 3 315.505 2.969 20 0 DFADHO Cc1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1C ZINC000150969346 426270230 /nfs/dbraw/zinc/27/02/30/426270230.db2.gz UJRGMKYOCYUKPO-KRWDZBQOSA-N 1 3 303.494 2.980 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+][C@@H](C)c2ccccn2)[C@H](C)C1 ZINC000152351356 426339399 /nfs/dbraw/zinc/33/93/99/426339399.db2.gz STGYOIDWDDAEEC-IXDOHACOSA-N 1 3 305.466 2.869 20 0 DFADHO CCOc1ccc(C[N@H+](C)C[C@H]2CCN(C)C2)cc1OCC ZINC000120983266 426318151 /nfs/dbraw/zinc/31/81/51/426318151.db2.gz SEQYWZFQNOVEOA-INIZCTEOSA-N 1 3 306.450 2.868 20 0 DFADHO CCOc1ccc(C[N@@H+](C)C[C@H]2CCN(C)C2)cc1OCC ZINC000120983266 426318154 /nfs/dbraw/zinc/31/81/54/426318154.db2.gz SEQYWZFQNOVEOA-INIZCTEOSA-N 1 3 306.450 2.868 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000152104488 426326613 /nfs/dbraw/zinc/32/66/13/426326613.db2.gz TUFONLWTNSNCRV-MDZRGWNJSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(Cn2ccnc2)cc1 ZINC000152104488 426326615 /nfs/dbraw/zinc/32/66/15/426326615.db2.gz TUFONLWTNSNCRV-MDZRGWNJSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(Cn2ccnc2)cc1 ZINC000152104488 426326617 /nfs/dbraw/zinc/32/66/17/426326617.db2.gz TUFONLWTNSNCRV-MDZRGWNJSA-N 1 3 312.461 2.750 20 0 DFADHO Cc1cccc(NC[C@@H]2CCN(CC[NH+]3CCCCC3)C2)n1 ZINC000151114167 426278711 /nfs/dbraw/zinc/27/87/11/426278711.db2.gz IVWHGAMUGOBJQL-KRWDZBQOSA-N 1 3 302.466 2.610 20 0 DFADHO Cc1cccc(NC[C@@H]2CC[N@H+](CCN3CCCCC3)C2)n1 ZINC000151114167 426278713 /nfs/dbraw/zinc/27/87/13/426278713.db2.gz IVWHGAMUGOBJQL-KRWDZBQOSA-N 1 3 302.466 2.610 20 0 DFADHO Cc1cccc(NC[C@@H]2CC[N@@H+](CCN3CCCCC3)C2)n1 ZINC000151114167 426278715 /nfs/dbraw/zinc/27/87/15/426278715.db2.gz IVWHGAMUGOBJQL-KRWDZBQOSA-N 1 3 302.466 2.610 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000152596383 426348058 /nfs/dbraw/zinc/34/80/58/426348058.db2.gz PQKLVWATHFSVCJ-MDZRGWNJSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)[C@@H]1CCCO1 ZINC000152872106 426358386 /nfs/dbraw/zinc/35/83/86/426358386.db2.gz ODWZVIGGCGQRSF-DAYGRLMNSA-N 1 3 306.450 2.845 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccncc2)CC1 ZINC000122176710 426362423 /nfs/dbraw/zinc/36/24/23/426362423.db2.gz REARCJWRONRCLL-UHFFFAOYSA-N 1 3 305.466 2.652 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccncc2)CC1 ZINC000122176710 426362427 /nfs/dbraw/zinc/36/24/27/426362427.db2.gz REARCJWRONRCLL-UHFFFAOYSA-N 1 3 305.466 2.652 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000176291335 426368102 /nfs/dbraw/zinc/36/81/02/426368102.db2.gz NLFJCPKMBOPZTP-KRWDZBQOSA-N 1 3 318.465 2.696 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000176291335 426368105 /nfs/dbraw/zinc/36/81/05/426368105.db2.gz NLFJCPKMBOPZTP-KRWDZBQOSA-N 1 3 318.465 2.696 20 0 DFADHO C[C@H](C(=O)NC1CCCCC1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123331489 426427569 /nfs/dbraw/zinc/42/75/69/426427569.db2.gz SJROYWPDJZSERG-MRXNPFEDSA-N 1 3 323.525 2.878 20 0 DFADHO CN(CCC[NH3+])CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000123352437 426428380 /nfs/dbraw/zinc/42/83/80/426428380.db2.gz NSQYUXAMJRNICG-UHFFFAOYSA-N 1 3 304.221 2.603 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000154216836 426430253 /nfs/dbraw/zinc/43/02/53/426430253.db2.gz ABFVLCPDWXGEOL-GOSISDBHSA-N 1 3 303.494 2.982 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000154258816 426432883 /nfs/dbraw/zinc/43/28/83/426432883.db2.gz NFLKWYABRCJFME-QFBILLFUSA-N 1 3 301.478 2.537 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1 ZINC000096574126 426439693 /nfs/dbraw/zinc/43/96/93/426439693.db2.gz SNMOMSBNTKWUIT-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO C[C@@H]1C[C@H](NCc2cc(N(C)C)nc3ccccc23)CC[N@@H+]1C ZINC000154445886 426440594 /nfs/dbraw/zinc/44/05/94/426440594.db2.gz ODDMOTGIXNMWFN-GDBMZVCRSA-N 1 3 312.461 2.873 20 0 DFADHO C[C@@H]1C[C@H](NCc2cc(N(C)C)nc3ccccc23)CC[N@H+]1C ZINC000154445886 426440598 /nfs/dbraw/zinc/44/05/98/426440598.db2.gz ODDMOTGIXNMWFN-GDBMZVCRSA-N 1 3 312.461 2.873 20 0 DFADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123610388 426442314 /nfs/dbraw/zinc/44/23/14/426442314.db2.gz JKXWTZYETBZXQT-KRWDZBQOSA-N 1 3 323.525 2.687 20 0 DFADHO COc1ccc(C[C@H](C)CN2CC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000340698417 269001622 /nfs/dbraw/zinc/00/16/22/269001622.db2.gz OUYWQBGIXIOBOE-KBXCAEBGSA-N 1 3 306.425 2.698 20 0 DFADHO CN1CCC(O)(C[NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000341261916 269054655 /nfs/dbraw/zinc/05/46/55/269054655.db2.gz AXYXQNYDACHMTN-UHFFFAOYSA-N 1 3 308.853 2.632 20 0 DFADHO C[C@H]1CCCCN1CCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000123753372 426451212 /nfs/dbraw/zinc/45/12/12/426451212.db2.gz WLTXRSXDCWFYQE-KRWDZBQOSA-N 1 3 316.493 2.905 20 0 DFADHO COc1cccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000177351980 426471333 /nfs/dbraw/zinc/47/13/33/426471333.db2.gz QPAMSPYIDCSVAJ-HZPDHXFCSA-N 1 3 318.461 2.847 20 0 DFADHO CN(CCSc1ccccc1)CCN(C)C1CC[NH+](C)CC1 ZINC000177376734 426473026 /nfs/dbraw/zinc/47/30/26/426473026.db2.gz RDGDNMVRCGOYNJ-UHFFFAOYSA-N 1 3 321.534 2.737 20 0 DFADHO CCCCCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000124376540 426482717 /nfs/dbraw/zinc/48/27/17/426482717.db2.gz BZJXERNETYXMHD-UHFFFAOYSA-N 1 3 309.498 2.632 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)NC2CCN(C)CC2)cc1)C(C)C ZINC000101630525 426485681 /nfs/dbraw/zinc/48/56/81/426485681.db2.gz LTZRNKFZIVDQCK-UHFFFAOYSA-N 1 3 317.477 2.741 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)NC2CCN(C)CC2)cc1)C(C)C ZINC000101630525 426485682 /nfs/dbraw/zinc/48/56/82/426485682.db2.gz LTZRNKFZIVDQCK-UHFFFAOYSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@@H]([NH2+]CCCn1ccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272378393 426511204 /nfs/dbraw/zinc/51/12/04/426511204.db2.gz BLYZKIICOGYAQU-MJGOQNOKSA-N 1 3 312.461 2.773 20 0 DFADHO CCN1CCN([C@H]2CCN(c3cc(C)[nH+]c4ccccc43)C2)CC1 ZINC000264419798 426549679 /nfs/dbraw/zinc/54/96/79/426549679.db2.gz QSRNCGRPJQQEQK-KRWDZBQOSA-N 1 3 324.472 2.759 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1sccc1OC ZINC000186189483 426492461 /nfs/dbraw/zinc/49/24/61/426492461.db2.gz NWMDERSHDXUYQS-OLZOCXBDSA-N 1 3 300.468 2.764 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1sccc1OC ZINC000186189469 426492629 /nfs/dbraw/zinc/49/26/29/426492629.db2.gz NWMDERSHDXUYQS-QWHCGFSZSA-N 1 3 300.468 2.764 20 0 DFADHO c1ccc(CN(CCN2CC[NH2+]CC2)Cc2ccccc2)cc1 ZINC000221068598 426576815 /nfs/dbraw/zinc/57/68/15/426576815.db2.gz GJSDNELNQOXTAW-UHFFFAOYSA-N 1 3 309.457 2.594 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000226373051 426619461 /nfs/dbraw/zinc/61/94/61/426619461.db2.gz HPNPMGYHCOGBNM-ONGXEEELSA-N 1 3 303.269 2.770 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1ccc(Br)s1 ZINC000226373051 426619464 /nfs/dbraw/zinc/61/94/64/426619464.db2.gz HPNPMGYHCOGBNM-ONGXEEELSA-N 1 3 303.269 2.770 20 0 DFADHO C[C@@H]([NH2+]CCNc1ccccn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272564266 426561305 /nfs/dbraw/zinc/56/13/05/426561305.db2.gz HANSSEMDMWMTBB-MJGOQNOKSA-N 1 3 324.472 2.994 20 0 DFADHO C[C@@H](NCCNc1ccccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272564266 426561309 /nfs/dbraw/zinc/56/13/09/426561309.db2.gz HANSSEMDMWMTBB-MJGOQNOKSA-N 1 3 324.472 2.994 20 0 DFADHO C[C@@H](NCCNc1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272564266 426561311 /nfs/dbraw/zinc/56/13/11/426561311.db2.gz HANSSEMDMWMTBB-MJGOQNOKSA-N 1 3 324.472 2.994 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000273269814 426631089 /nfs/dbraw/zinc/63/10/89/426631089.db2.gz UYZQODWYRIVPRS-OAHLLOKOSA-N 1 3 323.481 2.645 20 0 DFADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000178485371 426639202 /nfs/dbraw/zinc/63/92/02/426639202.db2.gz ZQHNYDKIZBJAPT-HNNXBMFYSA-N 1 3 318.461 2.773 20 0 DFADHO C[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)[C@H](N)c1ccccc1 ZINC000236701413 426677611 /nfs/dbraw/zinc/67/76/11/426677611.db2.gz JNPQVFGYQCRZIA-WMZOPIPTSA-N 1 3 317.477 2.561 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)C2(N)CCCCC2)CC1 ZINC000236708458 426678596 /nfs/dbraw/zinc/67/85/96/426678596.db2.gz QFHXVNRPOIBXFG-UHFFFAOYSA-N 1 3 309.498 2.619 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)C2(N)CCCCC2)CC1 ZINC000236708458 426678601 /nfs/dbraw/zinc/67/86/01/426678601.db2.gz QFHXVNRPOIBXFG-UHFFFAOYSA-N 1 3 309.498 2.619 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000236757969 426683742 /nfs/dbraw/zinc/68/37/42/426683742.db2.gz OCGWGRDSGLABOX-MAUKXSAKSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCN1CCCC1 ZINC000178411677 426625291 /nfs/dbraw/zinc/62/52/91/426625291.db2.gz HGBIYEWCYHBBFO-CYBMUJFWSA-N 1 3 324.856 2.528 20 0 DFADHO C[C@H](CC(=O)Nc1cccnc1Cl)NCCC[NH+]1CCCC1 ZINC000178411677 426625297 /nfs/dbraw/zinc/62/52/97/426625297.db2.gz HGBIYEWCYHBBFO-CYBMUJFWSA-N 1 3 324.856 2.528 20 0 DFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(N)CCCC2)CC1 ZINC000178769243 426692039 /nfs/dbraw/zinc/69/20/39/426692039.db2.gz QUYXQFCRZWTMSF-OAHLLOKOSA-N 1 3 315.461 2.600 20 0 DFADHO Cc1cccc([C@H]2CCCN2C[C@@H](O)C[N@@H+](C)C2CC2)c1C ZINC000290100451 426692889 /nfs/dbraw/zinc/69/28/89/426692889.db2.gz WSAGPXRPVUOPJH-PKOBYXMFSA-N 1 3 302.462 2.895 20 0 DFADHO Cc1cccc([C@H]2CCCN2C[C@@H](O)C[N@H+](C)C2CC2)c1C ZINC000290100451 426692890 /nfs/dbraw/zinc/69/28/90/426692890.db2.gz WSAGPXRPVUOPJH-PKOBYXMFSA-N 1 3 302.462 2.895 20 0 DFADHO Cc1cccc([C@@H]2CCCN2C[C@H](O)C[N@@H+](C)C2CC2)c1C ZINC000290100447 426693574 /nfs/dbraw/zinc/69/35/74/426693574.db2.gz WSAGPXRPVUOPJH-MJGOQNOKSA-N 1 3 302.462 2.895 20 0 DFADHO Cc1cccc([C@@H]2CCCN2C[C@H](O)C[N@H+](C)C2CC2)c1C ZINC000290100447 426693578 /nfs/dbraw/zinc/69/35/78/426693578.db2.gz WSAGPXRPVUOPJH-MJGOQNOKSA-N 1 3 302.462 2.895 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000245750979 426770750 /nfs/dbraw/zinc/77/07/50/426770750.db2.gz YSPSOPZFQDKLMQ-IEBWSBKVSA-N 1 3 301.478 2.677 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CCN1CC[C@H]1CCC[N@H+]1C ZINC000245750979 426770756 /nfs/dbraw/zinc/77/07/56/426770756.db2.gz YSPSOPZFQDKLMQ-IEBWSBKVSA-N 1 3 301.478 2.677 20 0 DFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CCCO2)C3)cc1 ZINC000245784362 426772142 /nfs/dbraw/zinc/77/21/42/426772142.db2.gz ZIVJNZVFJWCHRS-FCGDIQPGSA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CCCO2)C3)cc1 ZINC000245784362 426772144 /nfs/dbraw/zinc/77/21/44/426772144.db2.gz ZIVJNZVFJWCHRS-FCGDIQPGSA-N 1 3 300.446 2.951 20 0 DFADHO CCC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(C)C ZINC000179280838 426775409 /nfs/dbraw/zinc/77/54/09/426775409.db2.gz XVTNSUMKRURLNQ-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO Cc1ccc2ncc(CN3CC[C@@H](C4CC[NH+](C)CC4)C3)n2c1 ZINC000290512600 426782059 /nfs/dbraw/zinc/78/20/59/426782059.db2.gz PPEVQHHPCOGHOM-QGZVFWFLSA-N 1 3 312.461 2.806 20 0 DFADHO COCc1cccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000290429530 426761977 /nfs/dbraw/zinc/76/19/77/426761977.db2.gz LFFQUBVZGIBALM-LJQANCHMSA-N 1 3 302.462 2.997 20 0 DFADHO COCc1cccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000290429530 426761984 /nfs/dbraw/zinc/76/19/84/426761984.db2.gz LFFQUBVZGIBALM-LJQANCHMSA-N 1 3 302.462 2.997 20 0 DFADHO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCCN(C)C ZINC000282036167 426818003 /nfs/dbraw/zinc/81/80/03/426818003.db2.gz FTHHKLMGOPJDMP-AEFFLSMTSA-N 1 3 320.477 2.922 20 0 DFADHO COc1cccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000290724971 426826951 /nfs/dbraw/zinc/82/69/51/426826951.db2.gz OXHDMWFKEFCFRW-IRXDYDNUSA-N 1 3 300.446 2.943 20 0 DFADHO COc1cccc(C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000290724971 426826954 /nfs/dbraw/zinc/82/69/54/426826954.db2.gz OXHDMWFKEFCFRW-IRXDYDNUSA-N 1 3 300.446 2.943 20 0 DFADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000267144095 426831148 /nfs/dbraw/zinc/83/11/48/426831148.db2.gz AJXKYAZXQGPWQV-GOSISDBHSA-N 1 3 320.477 2.541 20 0 DFADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000267144095 426831155 /nfs/dbraw/zinc/83/11/55/426831155.db2.gz AJXKYAZXQGPWQV-GOSISDBHSA-N 1 3 320.477 2.541 20 0 DFADHO Cc1ccc(CC[C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282180182 426846838 /nfs/dbraw/zinc/84/68/38/426846838.db2.gz FOFQDLNAPDCUIP-SFHVURJKSA-N 1 3 317.521 2.932 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553572 426792976 /nfs/dbraw/zinc/79/29/76/426792976.db2.gz RXIJZXDKTIBQQN-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553572 426792981 /nfs/dbraw/zinc/79/29/81/426792981.db2.gz RXIJZXDKTIBQQN-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553572 426792984 /nfs/dbraw/zinc/79/29/84/426792984.db2.gz RXIJZXDKTIBQQN-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553572 426792988 /nfs/dbraw/zinc/79/29/88/426792988.db2.gz RXIJZXDKTIBQQN-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CNCc1cc(F)cc(Cl)c1 ZINC000274945858 426858816 /nfs/dbraw/zinc/85/88/16/426858816.db2.gz CLLGBGFBTQBBIW-OAHLLOKOSA-N 1 3 302.821 2.926 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCN2c3ccccc3C[C@H]2C)[C@H](C)C1 ZINC000246992919 426887590 /nfs/dbraw/zinc/88/75/90/426887590.db2.gz KWGNQSMKHMVUNA-NUJGCVRESA-N 1 3 301.478 2.758 20 0 DFADHO CC[N@H+]1CC[C@H](NCCN2c3ccccc3C[C@H]2C)[C@H](C)C1 ZINC000246992919 426887593 /nfs/dbraw/zinc/88/75/93/426887593.db2.gz KWGNQSMKHMVUNA-NUJGCVRESA-N 1 3 301.478 2.758 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000247000346 426888264 /nfs/dbraw/zinc/88/82/64/426888264.db2.gz KRDWPMVUCBTEFO-HUUCEWRRSA-N 1 3 317.433 2.636 20 0 DFADHO C[NH+](C)CCCOc1ccc(CNC[C@H]2CCC=CO2)cc1 ZINC000189559648 426891198 /nfs/dbraw/zinc/89/11/98/426891198.db2.gz YNGPOLCORUJDFN-GOSISDBHSA-N 1 3 304.434 2.799 20 0 DFADHO C[C@](O)(C[NH2+]C1CCN(C2CCCC2)CC1)c1cccs1 ZINC000305168434 426891536 /nfs/dbraw/zinc/89/15/36/426891536.db2.gz ZCGFBWCRXRPVAI-KRWDZBQOSA-N 1 3 308.491 2.952 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CCCOc3ccccc32)CC1(C)C ZINC000282397518 426901248 /nfs/dbraw/zinc/90/12/48/426901248.db2.gz RLPRQVFDTURJQF-KRWDZBQOSA-N 1 3 317.477 2.516 20 0 DFADHO C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)CN1Cc1ccccc1 ZINC000247139867 426907118 /nfs/dbraw/zinc/90/71/18/426907118.db2.gz QTIYVGYNRMSCCF-VROUVPMXSA-N 1 3 315.505 2.968 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](c1ccc(F)cc1)N(C)C ZINC000247177568 426910681 /nfs/dbraw/zinc/91/06/81/426910681.db2.gz VAOZAMPYGWQFCR-DTTOXWODSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](c1ccc(F)cc1)N(C)C ZINC000247177568 426910686 /nfs/dbraw/zinc/91/06/86/426910686.db2.gz VAOZAMPYGWQFCR-DTTOXWODSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000247177568 426910691 /nfs/dbraw/zinc/91/06/91/426910691.db2.gz VAOZAMPYGWQFCR-DTTOXWODSA-N 1 3 307.457 2.747 20 0 DFADHO Cc1cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cs1 ZINC000295447257 426962014 /nfs/dbraw/zinc/96/20/14/426962014.db2.gz PXKMEDSUOIPNLL-SFHVURJKSA-N 1 3 316.470 2.913 20 0 DFADHO Cc1cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cs1 ZINC000295447257 426962020 /nfs/dbraw/zinc/96/20/20/426962020.db2.gz PXKMEDSUOIPNLL-SFHVURJKSA-N 1 3 316.470 2.913 20 0 DFADHO CCC[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC)N(C)C ZINC000337950639 427057206 /nfs/dbraw/zinc/05/72/06/427057206.db2.gz ZXCACDOZWZFEFV-ZWKOTPCHSA-N 1 3 319.493 2.916 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000182159581 427020180 /nfs/dbraw/zinc/02/01/80/427020180.db2.gz WNPDFAMKCRACET-MCPWVCTESA-N 1 3 310.388 2.867 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000182159581 427020184 /nfs/dbraw/zinc/02/01/84/427020184.db2.gz WNPDFAMKCRACET-MCPWVCTESA-N 1 3 310.388 2.867 20 0 DFADHO Cc1cc(F)ccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000182272479 427044306 /nfs/dbraw/zinc/04/43/06/427044306.db2.gz YBHQQWQWIGEXME-UHFFFAOYSA-N 1 3 307.457 2.592 20 0 DFADHO C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000248836679 427050930 /nfs/dbraw/zinc/05/09/30/427050930.db2.gz DEHNEPPIGZXATQ-LZLYRXPVSA-N 1 3 317.477 2.625 20 0 DFADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000248999729 427072129 /nfs/dbraw/zinc/07/21/29/427072129.db2.gz IGFWWKGRKATDMT-XYPHTWIQSA-N 1 3 310.388 2.869 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)ccn1 ZINC000338004368 427086987 /nfs/dbraw/zinc/08/69/87/427086987.db2.gz YTWMWLYTNFLXGC-SJORKVTESA-N 1 3 303.450 2.690 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000268701085 427093168 /nfs/dbraw/zinc/09/31/68/427093168.db2.gz FPJVMZIHNPHZHE-PSBWJHGTSA-N 1 3 301.478 2.579 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268701085 427093174 /nfs/dbraw/zinc/09/31/74/427093174.db2.gz FPJVMZIHNPHZHE-PSBWJHGTSA-N 1 3 301.478 2.579 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268701085 427093178 /nfs/dbraw/zinc/09/31/78/427093178.db2.gz FPJVMZIHNPHZHE-PSBWJHGTSA-N 1 3 301.478 2.579 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000249383477 427109911 /nfs/dbraw/zinc/10/99/11/427109911.db2.gz VTSODIWNQJSNBT-HUUCEWRRSA-N 1 3 304.434 2.840 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000268798707 427118519 /nfs/dbraw/zinc/11/85/19/427118519.db2.gz GXHUBFXKPVSOQD-JKSUJKDBSA-N 1 3 317.477 2.675 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000268798707 427118527 /nfs/dbraw/zinc/11/85/27/427118527.db2.gz GXHUBFXKPVSOQD-JKSUJKDBSA-N 1 3 317.477 2.675 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(OCCN(C)C)cc1 ZINC000268815567 427125601 /nfs/dbraw/zinc/12/56/01/427125601.db2.gz MGVIKYQHIMUPBH-JKSUJKDBSA-N 1 3 316.449 2.563 20 0 DFADHO CC[NH+]1CCC(N[C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000268831089 427134642 /nfs/dbraw/zinc/13/46/42/427134642.db2.gz OITKTTPIOQONDM-IBGZPJMESA-N 1 3 316.445 2.983 20 0 DFADHO COCC[N@H+](C)CCCN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000268853988 427136162 /nfs/dbraw/zinc/13/61/62/427136162.db2.gz XDORPDRIXGNAKC-HNNXBMFYSA-N 1 3 324.465 2.631 20 0 DFADHO COCC[N@@H+](C)CCCN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000268853988 427136167 /nfs/dbraw/zinc/13/61/67/427136167.db2.gz XDORPDRIXGNAKC-HNNXBMFYSA-N 1 3 324.465 2.631 20 0 DFADHO CCCNC(=O)[C@H](C)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000182787069 427147545 /nfs/dbraw/zinc/14/75/45/427147545.db2.gz HXHOGRNFCXHNTN-INIZCTEOSA-N 1 3 311.514 2.735 20 0 DFADHO C[C@H]1CC[C@@H](C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)O1 ZINC000190651780 427153026 /nfs/dbraw/zinc/15/30/26/427153026.db2.gz SVBZBWDTWFYUHY-BMFAXAFESA-N 1 3 324.509 2.765 20 0 DFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC000121101435 271018742 /nfs/dbraw/zinc/01/87/42/271018742.db2.gz NCRIQRJXMTXPAZ-HZPDHXFCSA-N 1 3 307.457 2.750 20 0 DFADHO CC[C@@H](C)[C@H](C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000268830879 427130654 /nfs/dbraw/zinc/13/06/54/427130654.db2.gz SFGVTMMHBBKXNL-SJORKVTESA-N 1 3 304.482 2.618 20 0 DFADHO C[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)[C@H](N)c1ccccc1 ZINC000165005709 271095031 /nfs/dbraw/zinc/09/50/31/271095031.db2.gz URWPHYXLILXWHM-QAPCUYQASA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)[C@H](N)c1ccccc1 ZINC000165005709 271095034 /nfs/dbraw/zinc/09/50/34/271095034.db2.gz URWPHYXLILXWHM-QAPCUYQASA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CCCCCC1 ZINC000174201307 271131801 /nfs/dbraw/zinc/13/18/01/271131801.db2.gz YEMDJTUQGCPKSO-KRWDZBQOSA-N 1 3 321.509 2.728 20 0 DFADHO C[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CCCCCC1 ZINC000174201307 271131804 /nfs/dbraw/zinc/13/18/04/271131804.db2.gz YEMDJTUQGCPKSO-KRWDZBQOSA-N 1 3 321.509 2.728 20 0 DFADHO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000174868314 271141289 /nfs/dbraw/zinc/14/12/89/271141289.db2.gz SPTVYPVPHPOIHJ-YOEHRIQHSA-N 1 3 318.465 2.695 20 0 DFADHO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000174868314 271141292 /nfs/dbraw/zinc/14/12/92/271141292.db2.gz SPTVYPVPHPOIHJ-YOEHRIQHSA-N 1 3 318.465 2.695 20 0 DFADHO C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)N1CCCCCC1 ZINC000175010581 271144387 /nfs/dbraw/zinc/14/43/87/271144387.db2.gz LWKLZXLBHCUFQC-IAGOWNOFSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)N1CCCCCC1 ZINC000175010581 271144390 /nfs/dbraw/zinc/14/43/90/271144390.db2.gz LWKLZXLBHCUFQC-IAGOWNOFSA-N 1 3 309.498 2.632 20 0 DFADHO O=C(Nc1cccc(CN2CCCCC2)c1)C1CC[NH2+]CC1 ZINC000238061548 271258340 /nfs/dbraw/zinc/25/83/40/271258340.db2.gz IUEZCIWDSYBXCR-UHFFFAOYSA-N 1 3 301.434 2.611 20 0 DFADHO CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000262314855 271270929 /nfs/dbraw/zinc/27/09/29/271270929.db2.gz PACFBRGSHPANPV-CZUORRHYSA-N 1 3 309.479 2.519 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000338174831 427171620 /nfs/dbraw/zinc/17/16/20/427171620.db2.gz LERIVKATDKTZPT-MRXNPFEDSA-N 1 3 317.477 2.695 20 0 DFADHO C[C@@H]1C[C@H](CCNCc2cncn2C)C[N@@H+]1Cc1ccccc1 ZINC000338196210 427186046 /nfs/dbraw/zinc/18/60/46/427186046.db2.gz NIBNKRDOLYRWHK-AEFFLSMTSA-N 1 3 312.461 2.810 20 0 DFADHO C[C@@H]1C[C@H](CCNCc2cncn2C)C[N@H+]1Cc1ccccc1 ZINC000338196210 427186054 /nfs/dbraw/zinc/18/60/54/427186054.db2.gz NIBNKRDOLYRWHK-AEFFLSMTSA-N 1 3 312.461 2.810 20 0 DFADHO CCOCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183130016 427208887 /nfs/dbraw/zinc/20/88/87/427208887.db2.gz AOALRBVAGMHLFR-GBESFXJTSA-N 1 3 302.462 2.913 20 0 DFADHO CCOCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130016 427208894 /nfs/dbraw/zinc/20/88/94/427208894.db2.gz AOALRBVAGMHLFR-GBESFXJTSA-N 1 3 302.462 2.913 20 0 DFADHO CCOCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130016 427208900 /nfs/dbraw/zinc/20/89/00/427208900.db2.gz AOALRBVAGMHLFR-GBESFXJTSA-N 1 3 302.462 2.913 20 0 DFADHO CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183142475 427211993 /nfs/dbraw/zinc/21/19/93/427211993.db2.gz QPYJNPYVUKCFQP-VNTMZGSJSA-N 1 3 316.489 2.894 20 0 DFADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1cccc(F)c1F ZINC000183259178 427236974 /nfs/dbraw/zinc/23/69/74/427236974.db2.gz ODJMHEGSFXQQQC-CQSZACIVSA-N 1 3 311.420 2.643 20 0 DFADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1cccc(F)c1F ZINC000183259178 427236981 /nfs/dbraw/zinc/23/69/81/427236981.db2.gz ODJMHEGSFXQQQC-CQSZACIVSA-N 1 3 311.420 2.643 20 0 DFADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(F)c1F ZINC000183277862 427238526 /nfs/dbraw/zinc/23/85/26/427238526.db2.gz BGRXRIXHFYBOHC-ZDUSSCGKSA-N 1 3 311.420 2.641 20 0 DFADHO Cc1nccn1CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285540343 427265166 /nfs/dbraw/zinc/26/51/66/427265166.db2.gz LOIBPSIWSORXKD-FQEVSTJZSA-N 1 3 324.472 2.790 20 0 DFADHO Cc1nccn1CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285540343 427265174 /nfs/dbraw/zinc/26/51/74/427265174.db2.gz LOIBPSIWSORXKD-FQEVSTJZSA-N 1 3 324.472 2.790 20 0 DFADHO Cc1nccn1CC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285540343 427265180 /nfs/dbraw/zinc/26/51/80/427265180.db2.gz LOIBPSIWSORXKD-FQEVSTJZSA-N 1 3 324.472 2.790 20 0 DFADHO Cc1nccn1CC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285540343 427265186 /nfs/dbraw/zinc/26/51/86/427265186.db2.gz LOIBPSIWSORXKD-FQEVSTJZSA-N 1 3 324.472 2.790 20 0 DFADHO c1cc(N2CCN(CCC[NH2+]C[C@@H]3CC=CCC3)CC2)ccn1 ZINC000269766747 427271803 /nfs/dbraw/zinc/27/18/03/427271803.db2.gz MYLKCXLSJVSAID-GOSISDBHSA-N 1 3 314.477 2.540 20 0 DFADHO CC(C)[C@H](O)CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000293363394 427301489 /nfs/dbraw/zinc/30/14/89/427301489.db2.gz ONLWHPSZOBVGRS-MOPGFXCFSA-N 1 3 302.462 2.601 20 0 DFADHO CC(C)[C@H](O)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000293363394 427301494 /nfs/dbraw/zinc/30/14/94/427301494.db2.gz ONLWHPSZOBVGRS-MOPGFXCFSA-N 1 3 302.462 2.601 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191334044 427321510 /nfs/dbraw/zinc/32/15/10/427321510.db2.gz PTKVPPRPNYGNCA-ZBFHGGJFSA-N 1 3 324.513 2.954 20 0 DFADHO C[NH+](C)CCCC1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000271047462 427385345 /nfs/dbraw/zinc/38/53/45/427385345.db2.gz OTFRWHDDWLBINO-GOSISDBHSA-N 1 3 308.441 2.913 20 0 DFADHO CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000191655390 427399545 /nfs/dbraw/zinc/39/95/45/427399545.db2.gz KYBJVUJHGOXVDX-PLOWYNNNSA-N 1 3 302.462 2.910 20 0 DFADHO CCOC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCC1 ZINC000297331000 427402668 /nfs/dbraw/zinc/40/26/68/427402668.db2.gz DLBKXDTWBOBSOT-UHFFFAOYSA-N 1 3 303.450 2.989 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000293718556 427412369 /nfs/dbraw/zinc/41/23/69/427412369.db2.gz PKHRMYUTDAQWHY-LSDHHAIUSA-N 1 3 305.466 2.753 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)NC[C@H](C)C[NH+](C)C ZINC000293718556 427412378 /nfs/dbraw/zinc/41/23/78/427412378.db2.gz PKHRMYUTDAQWHY-LSDHHAIUSA-N 1 3 305.466 2.753 20 0 DFADHO COc1ccc(F)c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000293728269 427416344 /nfs/dbraw/zinc/41/63/44/427416344.db2.gz ZBGIVVNJDFQNSJ-HUUCEWRRSA-N 1 3 324.440 2.813 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H](C)CN(C)C ZINC000293732460 427417097 /nfs/dbraw/zinc/41/70/97/427417097.db2.gz QDYMHAMMZZBWOR-GOEBONIOSA-N 1 3 308.466 2.812 20 0 DFADHO CC(C)[NH+]1CCN(CCCN(C)Cc2ccccc2F)CC1 ZINC000191455607 427354369 /nfs/dbraw/zinc/35/43/69/427354369.db2.gz NTPWRPIVQZYMCO-UHFFFAOYSA-N 1 3 307.457 2.674 20 0 DFADHO CC(C)[C@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)c2ccccc21 ZINC000278793787 427455730 /nfs/dbraw/zinc/45/57/30/427455730.db2.gz QOQSUKPLRXHMAH-QZTJIDSGSA-N 1 3 302.462 2.917 20 0 DFADHO CCOCCC1(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000297822539 427460247 /nfs/dbraw/zinc/46/02/47/427460247.db2.gz YZFBUTJREAMQFF-UHFFFAOYSA-N 1 3 303.450 2.847 20 0 DFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338778489 427481691 /nfs/dbraw/zinc/48/16/91/427481691.db2.gz FAYHNGQEHYJLQL-QXAKKESOSA-N 1 3 315.505 2.794 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(C4CCCC4)CC3)C2)cc1 ZINC000271284250 427482310 /nfs/dbraw/zinc/48/23/10/427482310.db2.gz OPCNOHNOZZXCED-FQEVSTJZSA-N 1 3 313.489 2.821 20 0 DFADHO c1ccc(C[N@H+]2CC[C@H](N3CCN(C4CCCC4)CC3)C2)cc1 ZINC000271284250 427482315 /nfs/dbraw/zinc/48/23/15/427482315.db2.gz OPCNOHNOZZXCED-FQEVSTJZSA-N 1 3 313.489 2.821 20 0 DFADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccnn1C ZINC000278158459 427420625 /nfs/dbraw/zinc/42/06/25/427420625.db2.gz ATJZPWONMPATNF-BQFCYCMXSA-N 1 3 312.461 2.981 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286098064 427425333 /nfs/dbraw/zinc/42/53/33/427425333.db2.gz NBXYNZASPHXSEN-AEGPPILISA-N 1 3 317.433 2.541 20 0 DFADHO CN1CCC(O)(C[NH2+]C2CCC(C)(c3ccccc3)CC2)CC1 ZINC000271187366 427438741 /nfs/dbraw/zinc/43/87/41/427438741.db2.gz WXXFRIHYDNWYPW-UHFFFAOYSA-N 1 3 316.489 2.933 20 0 DFADHO CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000338795221 427494531 /nfs/dbraw/zinc/49/45/31/427494531.db2.gz RAQAJNARKJARSN-XKQJLSEDSA-N 1 3 309.885 2.873 20 0 DFADHO CC[N@H+]1C[C@H](C)[C@H](N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000338795221 427494534 /nfs/dbraw/zinc/49/45/34/427494534.db2.gz RAQAJNARKJARSN-XKQJLSEDSA-N 1 3 309.885 2.873 20 0 DFADHO C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000278930764 427504383 /nfs/dbraw/zinc/50/43/83/427504383.db2.gz LERCVDCGDRRSTO-WZGPROSRSA-N 1 3 302.462 2.648 20 0 DFADHO CC(C)[NH+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000184617559 427506166 /nfs/dbraw/zinc/50/61/66/427506166.db2.gz LWTOCHSBMZTDDZ-KRWDZBQOSA-N 1 3 305.466 2.524 20 0 DFADHO CCN(CCNC(=O)c1ccc(C[NH+](CC)CC)cc1)C1CC1 ZINC000263660518 427534183 /nfs/dbraw/zinc/53/41/83/427534183.db2.gz ASDYKFVWEQRLRM-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO Cc1ccc([C@@H](CNC2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000298225014 427539886 /nfs/dbraw/zinc/53/98/86/427539886.db2.gz ATBWWSODGGEEIK-LJQANCHMSA-N 1 3 301.478 2.814 20 0 DFADHO O[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)CN1CCCC1 ZINC000298222281 427540500 /nfs/dbraw/zinc/54/05/00/427540500.db2.gz SHNHMDXQRJJZHO-DLBZAZTESA-N 1 3 308.853 2.837 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](O)c1c(F)cccc1F ZINC000271449045 427541703 /nfs/dbraw/zinc/54/17/03/427541703.db2.gz FKMASLDVUXWQQL-BKBUGSPTSA-N 1 3 312.404 2.849 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](O)c1c(F)cccc1F ZINC000271449045 427541710 /nfs/dbraw/zinc/54/17/10/427541710.db2.gz FKMASLDVUXWQQL-BKBUGSPTSA-N 1 3 312.404 2.849 20 0 DFADHO c1cc2c(c(CNC3CCN(c4cc[nH+]cc4)CC3)c1)OCO2 ZINC000294091079 427544761 /nfs/dbraw/zinc/54/47/61/427544761.db2.gz BDLWMQIVEVDKPN-UHFFFAOYSA-N 1 3 311.385 2.569 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@H]2CCC[C@@H]2CCF)ccn1 ZINC000286318456 427490736 /nfs/dbraw/zinc/49/07/36/427490736.db2.gz XUQNUOURYBHDLN-CVEARBPZSA-N 1 3 309.429 2.640 20 0 DFADHO Cc1ccncc1[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000271511790 427566799 /nfs/dbraw/zinc/56/67/99/427566799.db2.gz NWUZLNWQMPXRBM-IPELMVKDSA-N 1 3 317.477 2.809 20 0 DFADHO Cc1ccncc1[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000271511792 427567469 /nfs/dbraw/zinc/56/74/69/427567469.db2.gz NWUZLNWQMPXRBM-KFKAGJAMSA-N 1 3 317.477 2.809 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@H]4CCCOC4)[C@H]3C2)cc1 ZINC000287335767 427580351 /nfs/dbraw/zinc/58/03/51/427580351.db2.gz MQVDOLPGWFWASM-VJANTYMQSA-N 1 3 300.446 2.666 20 0 DFADHO COC1(CC[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)CCC1 ZINC000338952821 427584973 /nfs/dbraw/zinc/58/49/73/427584973.db2.gz DZEBNWHFQNQEQE-IAGOWNOFSA-N 1 3 324.509 2.767 20 0 DFADHO CC[C@H](O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000339008966 427623390 /nfs/dbraw/zinc/62/33/90/427623390.db2.gz DOGLRPMVCKUDJR-OALUTQOASA-N 1 3 302.462 2.745 20 0 DFADHO CC[C@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000339008966 427623398 /nfs/dbraw/zinc/62/33/98/427623398.db2.gz DOGLRPMVCKUDJR-OALUTQOASA-N 1 3 302.462 2.745 20 0 DFADHO CN1CC=C(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000271822998 427589922 /nfs/dbraw/zinc/58/99/22/427589922.db2.gz NENCINXJJGOGBP-UHFFFAOYSA-N 1 3 300.324 2.937 20 0 DFADHO C[N@H+]1CC=C(CNCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000271822998 427589929 /nfs/dbraw/zinc/58/99/29/427589929.db2.gz NENCINXJJGOGBP-UHFFFAOYSA-N 1 3 300.324 2.937 20 0 DFADHO C[N@@H+]1CC=C(CNCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000271822998 427589936 /nfs/dbraw/zinc/58/99/36/427589936.db2.gz NENCINXJJGOGBP-UHFFFAOYSA-N 1 3 300.324 2.937 20 0 DFADHO CCCC(O)(CCC)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298411577 427601196 /nfs/dbraw/zinc/60/11/96/427601196.db2.gz MCSYYZBTHNMSND-UHFFFAOYSA-N 1 3 305.466 2.971 20 0 DFADHO CC(C)Oc1cccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000192876474 427627698 /nfs/dbraw/zinc/62/76/98/427627698.db2.gz IGEVWRFRBLVUAR-RGPMPMONSA-N 1 3 318.461 2.722 20 0 DFADHO COc1ccccc1O[C@@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192909619 427634831 /nfs/dbraw/zinc/63/48/31/427634831.db2.gz ARYJQMSTRHGYPJ-HNSVSWJLSA-N 1 3 304.434 2.677 20 0 DFADHO COc1ccccc1O[C@@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192909619 427634840 /nfs/dbraw/zinc/63/48/40/427634840.db2.gz ARYJQMSTRHGYPJ-HNSVSWJLSA-N 1 3 304.434 2.677 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CN1C1CC1 ZINC000192927227 427635050 /nfs/dbraw/zinc/63/50/50/427635050.db2.gz NGPJGKFKVHNQNT-NEWSRXKRSA-N 1 3 313.489 2.723 20 0 DFADHO c1cn2c(cccc2C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000192925414 427636344 /nfs/dbraw/zinc/63/63/44/427636344.db2.gz DWRQHQQJLLGPKT-SFHVURJKSA-N 1 3 320.440 2.946 20 0 DFADHO CCCN1CCC([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000192921029 427636612 /nfs/dbraw/zinc/63/66/12/427636612.db2.gz RYAHQYDCDICKMT-IBGZPJMESA-N 1 3 315.505 2.973 20 0 DFADHO c1cc(N2CCC([NH2+]C3CCN(C4CCC4)CC3)CC2)ccn1 ZINC000298526029 427639116 /nfs/dbraw/zinc/63/91/16/427639116.db2.gz RUZWMSWVWWFRGJ-UHFFFAOYSA-N 1 3 314.477 2.657 20 0 DFADHO c1cnn(Cc2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)c1 ZINC000298538134 427643561 /nfs/dbraw/zinc/64/35/61/427643561.db2.gz SRTOCKHPSILLOR-UHFFFAOYSA-N 1 3 310.445 2.648 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287583831 427646651 /nfs/dbraw/zinc/64/66/51/427646651.db2.gz CIVPLJVWLVJFDW-ROUUACIJSA-N 1 3 303.450 2.547 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287583831 427646659 /nfs/dbraw/zinc/64/66/59/427646659.db2.gz CIVPLJVWLVJFDW-ROUUACIJSA-N 1 3 303.450 2.547 20 0 DFADHO CCn1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000272146965 427649506 /nfs/dbraw/zinc/64/95/06/427649506.db2.gz CMACAWYQOZICSQ-VQIMIIECSA-N 1 3 312.461 2.903 20 0 DFADHO CCN1CCCC[C@H]1C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000264102166 427657365 /nfs/dbraw/zinc/65/73/65/427657365.db2.gz NDPBUOAVQJBCJC-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO CCN1CCCC[C@H]1C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000264102166 427657371 /nfs/dbraw/zinc/65/73/71/427657371.db2.gz NDPBUOAVQJBCJC-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO CC(C)(C)c1cn2c(n1)CC[C@H](N[C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000339068043 427658951 /nfs/dbraw/zinc/65/89/51/427658951.db2.gz JLUJRBNEGDCODF-JYJNAYRXSA-N 1 3 316.493 2.712 20 0 DFADHO CC(C)(C)c1cn2c(n1)CC[C@H](N[C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000339068043 427658955 /nfs/dbraw/zinc/65/89/55/427658955.db2.gz JLUJRBNEGDCODF-JYJNAYRXSA-N 1 3 316.493 2.712 20 0 DFADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccncc2OCCN(C)C)C[C@@H]1C ZINC000342427327 272011470 /nfs/dbraw/zinc/01/14/70/272011470.db2.gz MILWBCBADRMQPV-HLLBOEOZSA-N 1 3 305.466 2.936 20 0 DFADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000342695140 272042986 /nfs/dbraw/zinc/04/29/86/272042986.db2.gz OTVBLUCRFOOYAM-MAUKXSAKSA-N 1 3 315.461 2.999 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC3(C)C)cc2)CC1 ZINC000342715637 272044661 /nfs/dbraw/zinc/04/46/61/272044661.db2.gz WLVVGLAWBUHEDA-GOSISDBHSA-N 1 3 301.478 2.712 20 0 DFADHO c1n[nH]c2cc(CC[NH2+]C3CCN(c4ccccn4)CC3)ccc12 ZINC000342831041 272061010 /nfs/dbraw/zinc/06/10/10/272061010.db2.gz YDDCDVBQQZHLSO-UHFFFAOYSA-N 1 3 321.428 2.759 20 0 DFADHO CC[C@@H]1C[C@H](C)CC[C@H]1NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333654726 427669868 /nfs/dbraw/zinc/66/98/68/427669868.db2.gz ZRBZJBJTHIXOJO-UMVBOHGHSA-N 1 3 305.470 2.576 20 0 DFADHO Cc1cccc(C)c1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000342928050 272067026 /nfs/dbraw/zinc/06/70/26/272067026.db2.gz PMNWLHRIMBMBTJ-YTQUADARSA-N 1 3 302.462 2.987 20 0 DFADHO Cc1ccc(CCC[NH+]2CCC(N(C)C[C@H](C)O)CC2)cc1 ZINC000343548387 272167719 /nfs/dbraw/zinc/16/77/19/272167719.db2.gz IOIMSKNKEKNWIS-KRWDZBQOSA-N 1 3 304.478 2.705 20 0 DFADHO CC[N@@H+]1C[C@H](C)[C@H](NCc2ccc(-n3ccnc3C)c(F)c2)C1 ZINC000343730877 272209259 /nfs/dbraw/zinc/20/92/59/272209259.db2.gz FGEFFHAMCDQFJA-SUMWQHHRSA-N 1 3 316.424 2.750 20 0 DFADHO CC[N@H+]1C[C@H](C)[C@H](NCc2ccc(-n3ccnc3C)c(F)c2)C1 ZINC000343730877 272209262 /nfs/dbraw/zinc/20/92/62/272209262.db2.gz FGEFFHAMCDQFJA-SUMWQHHRSA-N 1 3 316.424 2.750 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000343982076 272246412 /nfs/dbraw/zinc/24/64/12/272246412.db2.gz KTBGUTXHEDQGCO-JKSUJKDBSA-N 1 3 305.466 2.936 20 0 DFADHO CC1(C)[C@H](O)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193313642 427683884 /nfs/dbraw/zinc/68/38/84/427683884.db2.gz MCBIZNMAKSZKKG-BMSWRWNDSA-N 1 3 314.473 2.931 20 0 DFADHO CC1(C)[C@H](O)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193313642 427683889 /nfs/dbraw/zinc/68/38/89/427683889.db2.gz MCBIZNMAKSZKKG-BMSWRWNDSA-N 1 3 314.473 2.931 20 0 DFADHO C[C@H]([NH3+])CCC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000193291150 427684153 /nfs/dbraw/zinc/68/41/53/427684153.db2.gz OPTJUDLENZLGRD-LSDHHAIUSA-N 1 3 323.506 2.765 20 0 DFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000344662699 272353217 /nfs/dbraw/zinc/35/32/17/272353217.db2.gz KFVCWYUIEZAZRK-SJORKVTESA-N 1 3 321.509 2.630 20 0 DFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000344662699 272353220 /nfs/dbraw/zinc/35/32/20/272353220.db2.gz KFVCWYUIEZAZRK-SJORKVTESA-N 1 3 321.509 2.630 20 0 DFADHO CC[C@@H](C(=O)N1CCC(C[NH+](CC)CC)CC1)N(CC)CC ZINC000344832690 272375525 /nfs/dbraw/zinc/37/55/25/272375525.db2.gz SPUXIJTXULWMJP-KRWDZBQOSA-N 1 3 311.514 2.687 20 0 DFADHO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)[C@H]1CCCN(C2CCC2)C1 ZINC000185716304 427692845 /nfs/dbraw/zinc/69/28/45/427692845.db2.gz HMFHDOJPXZBETO-UQOODKLHSA-N 1 3 314.473 2.887 20 0 DFADHO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](CCCN2CCCC2)C1 ZINC000193461478 427693514 /nfs/dbraw/zinc/69/35/14/427693514.db2.gz JYISOQRGFZDCEG-QGZVFWFLSA-N 1 3 315.461 2.823 20 0 DFADHO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](CCCN2CCCC2)C1 ZINC000193461478 427693519 /nfs/dbraw/zinc/69/35/19/427693519.db2.gz JYISOQRGFZDCEG-QGZVFWFLSA-N 1 3 315.461 2.823 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CO)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185755351 427701603 /nfs/dbraw/zinc/70/16/03/427701603.db2.gz WKHAYMOZQBXTQW-MAUKXSAKSA-N 1 3 302.462 2.922 20 0 DFADHO Cc1nccn1CCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000336854349 427760712 /nfs/dbraw/zinc/76/07/12/427760712.db2.gz DRJOTZANVYQHSK-UHFFFAOYSA-N 1 3 304.482 2.922 20 0 DFADHO Cn1cc(CNCCCCC[NH+]2CCCC2)c(C(F)F)n1 ZINC000339500556 427783606 /nfs/dbraw/zinc/78/36/06/427783606.db2.gz BMCPXIPISUNMQL-UHFFFAOYSA-N 1 3 300.397 2.713 20 0 DFADHO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336656326 427746741 /nfs/dbraw/zinc/74/67/41/427746741.db2.gz MAAGTHUAWMUGNF-WDSOQIARSA-N 1 3 313.489 2.723 20 0 DFADHO C[C@H](N[C@H]1CCN(C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336656326 427746742 /nfs/dbraw/zinc/74/67/42/427746742.db2.gz MAAGTHUAWMUGNF-WDSOQIARSA-N 1 3 313.489 2.723 20 0 DFADHO C[C@H](N[C@H]1CCN(C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656326 427746745 /nfs/dbraw/zinc/74/67/45/427746745.db2.gz MAAGTHUAWMUGNF-WDSOQIARSA-N 1 3 313.489 2.723 20 0 DFADHO COc1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1Br ZINC000336699266 427747723 /nfs/dbraw/zinc/74/77/23/427747723.db2.gz JJBBYDTZYUYSRT-ZJUUUORDSA-N 1 3 301.228 2.703 20 0 DFADHO CN(CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336704739 427748903 /nfs/dbraw/zinc/74/89/03/427748903.db2.gz GVLCLJCBBJUPLP-RBUKOAKNSA-N 1 3 301.478 2.677 20 0 DFADHO CN(CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336704739 427748908 /nfs/dbraw/zinc/74/89/08/427748908.db2.gz GVLCLJCBBJUPLP-RBUKOAKNSA-N 1 3 301.478 2.677 20 0 DFADHO c1ccc(C[N@H+]2CC[C@@H]3CN(CCOCC4CC4)C[C@H]3C2)cc1 ZINC000336713826 427749108 /nfs/dbraw/zinc/74/91/08/427749108.db2.gz NRZVKIUZBOWVJX-WOJBJXKFSA-N 1 3 314.473 2.867 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(CCOCC4CC4)C[C@H]3C2)cc1 ZINC000336713826 427749111 /nfs/dbraw/zinc/74/91/11/427749111.db2.gz NRZVKIUZBOWVJX-WOJBJXKFSA-N 1 3 314.473 2.867 20 0 DFADHO CN(CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336704737 427749599 /nfs/dbraw/zinc/74/95/99/427749599.db2.gz GVLCLJCBBJUPLP-OALUTQOASA-N 1 3 301.478 2.677 20 0 DFADHO CN(CC[C@@H]1CCC[N@H+]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336704737 427749602 /nfs/dbraw/zinc/74/96/02/427749602.db2.gz GVLCLJCBBJUPLP-OALUTQOASA-N 1 3 301.478 2.677 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H]1CCc2c1cccc2OC ZINC000349660929 427839654 /nfs/dbraw/zinc/83/96/54/427839654.db2.gz DFKWUESFXYCGJO-KRWDZBQOSA-N 1 3 306.450 2.631 20 0 DFADHO C[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)N1CCCCCC1 ZINC000345674760 427853934 /nfs/dbraw/zinc/85/39/34/427853934.db2.gz YQVBYTIRBLNWDW-MRXNPFEDSA-N 1 3 309.498 2.632 20 0 DFADHO CC(C)[C@H](Cn1cccn1)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000340472561 427856171 /nfs/dbraw/zinc/85/61/71/427856171.db2.gz DMHYPZSNXPKASF-KSZLIROESA-N 1 3 306.498 2.865 20 0 DFADHO CC(C)[C@H](Cn1cccn1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340472561 427856176 /nfs/dbraw/zinc/85/61/76/427856176.db2.gz DMHYPZSNXPKASF-KSZLIROESA-N 1 3 306.498 2.865 20 0 DFADHO CC(C)[C@H](Cn1cccn1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340472561 427856181 /nfs/dbraw/zinc/85/61/81/427856181.db2.gz DMHYPZSNXPKASF-KSZLIROESA-N 1 3 306.498 2.865 20 0 DFADHO CCCC(C)(C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000345835544 427925429 /nfs/dbraw/zinc/92/54/29/427925429.db2.gz CKDYQIFMKTXOEQ-UHFFFAOYSA-N 1 3 323.525 2.878 20 0 DFADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)N(CC)CC ZINC000345790907 427907938 /nfs/dbraw/zinc/90/79/38/427907938.db2.gz HHVSNXUWPCRTFR-VVLHAWIVSA-N 1 3 311.514 2.589 20 0 DFADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)N(CC)CC ZINC000345790907 427907942 /nfs/dbraw/zinc/90/79/42/427907942.db2.gz HHVSNXUWPCRTFR-VVLHAWIVSA-N 1 3 311.514 2.589 20 0 DFADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000337469989 427919644 /nfs/dbraw/zinc/91/96/44/427919644.db2.gz NEEIEGLOBKNXAR-BDXSIMOUSA-N 1 3 312.498 2.671 20 0 DFADHO c1ccc(CN2CC[C@H](N3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC000340280761 427975371 /nfs/dbraw/zinc/97/53/71/427975371.db2.gz ANMPCJRFWAGXPO-FQEVSTJZSA-N 1 3 313.489 2.821 20 0 DFADHO CCC[N@H+](C)C[C@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000340288317 427978344 /nfs/dbraw/zinc/97/83/44/427978344.db2.gz IGYKDLLBOOPJOV-WOJBJXKFSA-N 1 3 315.505 2.925 20 0 DFADHO CCC[N@@H+](C)C[C@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000340288317 427978349 /nfs/dbraw/zinc/97/83/49/427978349.db2.gz IGYKDLLBOOPJOV-WOJBJXKFSA-N 1 3 315.505 2.925 20 0 DFADHO CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000413205263 427989580 /nfs/dbraw/zinc/98/95/80/427989580.db2.gz AUYKHHUJXLMRGT-OWCLPIDISA-N 1 3 309.498 2.581 20 0 DFADHO COC1(CNCc2ccccc2OCC[NH+](C)C)CCCC1 ZINC000359734168 427994466 /nfs/dbraw/zinc/99/44/66/427994466.db2.gz VFOVUQIKDYSTHJ-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO C[N@H+](CCCO)C1CCN(C[C@H]2CCc3ccccc3C2)CC1 ZINC000359612347 427936788 /nfs/dbraw/zinc/93/67/88/427936788.db2.gz REMXHGYAXVKQEM-KRWDZBQOSA-N 1 3 316.489 2.570 20 0 DFADHO C[N@@H+](CCCO)C1CCN(C[C@H]2CCc3ccccc3C2)CC1 ZINC000359612347 427936791 /nfs/dbraw/zinc/93/67/91/427936791.db2.gz REMXHGYAXVKQEM-KRWDZBQOSA-N 1 3 316.489 2.570 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000337532824 427947318 /nfs/dbraw/zinc/94/73/18/427947318.db2.gz WIIWIYYJRKVWRJ-INIZCTEOSA-N 1 3 307.482 2.965 20 0 DFADHO C[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@]1(C)CCCO1 ZINC000340189072 427949927 /nfs/dbraw/zinc/94/99/27/427949927.db2.gz UNUYMWHUBZKFNZ-QAPCUYQASA-N 1 3 306.450 2.674 20 0 DFADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000359845950 428044318 /nfs/dbraw/zinc/04/43/18/428044318.db2.gz CJILJGOQTIMTJZ-DLBZAZTESA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359845950 428044321 /nfs/dbraw/zinc/04/43/21/428044321.db2.gz CJILJGOQTIMTJZ-DLBZAZTESA-N 1 3 321.509 2.632 20 0 DFADHO C[N@@H+]1CCC[C@H]2CN(Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000346170996 428050067 /nfs/dbraw/zinc/05/00/67/428050067.db2.gz NOAMEHLEBHYNIK-YOEHRIQHSA-N 1 3 316.474 2.850 20 0 DFADHO C[N@H+]1CCC[C@H]2CN(Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000346170996 428050070 /nfs/dbraw/zinc/05/00/70/428050070.db2.gz NOAMEHLEBHYNIK-YOEHRIQHSA-N 1 3 316.474 2.850 20 0 DFADHO CN1CCC[C@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000346170996 428050076 /nfs/dbraw/zinc/05/00/76/428050076.db2.gz NOAMEHLEBHYNIK-YOEHRIQHSA-N 1 3 316.474 2.850 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000346170996 428050081 /nfs/dbraw/zinc/05/00/81/428050081.db2.gz NOAMEHLEBHYNIK-YOEHRIQHSA-N 1 3 316.474 2.850 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000356171395 428051601 /nfs/dbraw/zinc/05/16/01/428051601.db2.gz RLMCONIOLBINAD-HOTGVXAUSA-N 1 3 309.498 2.630 20 0 DFADHO CCOCCOCc1cccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000359944980 428088073 /nfs/dbraw/zinc/08/80/73/428088073.db2.gz WJJDVDGCPVTGJO-LPHOPBHVSA-N 1 3 320.477 2.670 20 0 DFADHO CCOCCOCc1cccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000359944980 428088076 /nfs/dbraw/zinc/08/80/76/428088076.db2.gz WJJDVDGCPVTGJO-LPHOPBHVSA-N 1 3 320.477 2.670 20 0 DFADHO CCN1CCC([NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)CC1 ZINC000359968449 428098271 /nfs/dbraw/zinc/09/82/71/428098271.db2.gz PXMCXOCXRDHFTA-QGZVFWFLSA-N 1 3 305.466 2.799 20 0 DFADHO CCC(CC)[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000341556931 428102810 /nfs/dbraw/zinc/10/28/10/428102810.db2.gz ZLUNNWDYQITWTG-OAHLLOKOSA-N 1 3 323.525 2.734 20 0 DFADHO CN1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@H]1c1ccccc1 ZINC000377358322 428113882 /nfs/dbraw/zinc/11/38/82/428113882.db2.gz NCVYLYLYVCSZKI-FCFHUKJJSA-N 1 3 313.489 2.894 20 0 DFADHO C[NH+](C)CC1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000351859559 428114670 /nfs/dbraw/zinc/11/46/70/428114670.db2.gz XHFFDSGNTKMLRH-UHFFFAOYSA-N 1 3 312.360 2.782 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCc1ccc2c(c1)OCCO2 ZINC000360027362 428123661 /nfs/dbraw/zinc/12/36/61/428123661.db2.gz IIYPDJZUVUSOGV-QGZVFWFLSA-N 1 3 318.461 2.807 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCc1ccc2c(c1)OCCO2 ZINC000360027362 428123664 /nfs/dbraw/zinc/12/36/64/428123664.db2.gz IIYPDJZUVUSOGV-QGZVFWFLSA-N 1 3 318.461 2.807 20 0 DFADHO CCC[N@@H+]1CC[C@@H](CNCc2ccccc2-c2ccnn2C)C1 ZINC000352211926 428128741 /nfs/dbraw/zinc/12/87/41/428128741.db2.gz MQMZJKCSPIHBRT-INIZCTEOSA-N 1 3 312.461 2.909 20 0 DFADHO CCC[N@H+]1CC[C@@H](CNCc2ccccc2-c2ccnn2C)C1 ZINC000352211926 428128748 /nfs/dbraw/zinc/12/87/48/428128748.db2.gz MQMZJKCSPIHBRT-INIZCTEOSA-N 1 3 312.461 2.909 20 0 DFADHO CCCN1CC[C@@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352211926 428128753 /nfs/dbraw/zinc/12/87/53/428128753.db2.gz MQMZJKCSPIHBRT-INIZCTEOSA-N 1 3 312.461 2.909 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C[C@H]1C ZINC000346346628 428135834 /nfs/dbraw/zinc/13/58/34/428135834.db2.gz XHYPTOSUIVEJBK-ZACQAIPSSA-N 1 3 309.498 2.582 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C[C@H]1C ZINC000346346628 428135837 /nfs/dbraw/zinc/13/58/37/428135837.db2.gz XHYPTOSUIVEJBK-ZACQAIPSSA-N 1 3 309.498 2.582 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cccc(-c2nccn2C)c1 ZINC000360056850 428137119 /nfs/dbraw/zinc/13/71/19/428137119.db2.gz IZUOOWXHMYKQQJ-RVKKMQEKSA-N 1 3 312.461 2.905 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cccc(-c2nccn2C)c1 ZINC000360056850 428137124 /nfs/dbraw/zinc/13/71/24/428137124.db2.gz IZUOOWXHMYKQQJ-RVKKMQEKSA-N 1 3 312.461 2.905 20 0 DFADHO COc1ccc(C[C@@H](C)NC2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000414096510 428205232 /nfs/dbraw/zinc/20/52/32/428205232.db2.gz OQSSMKRGEWCOII-CQSZACIVSA-N 1 3 305.466 2.874 20 0 DFADHO CC[C@H](C)[C@@H](C)C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000356498857 428205489 /nfs/dbraw/zinc/20/54/89/428205489.db2.gz ACQPWVPBVTUEHC-GVDBMIGSSA-N 1 3 311.514 2.543 20 0 DFADHO CC[C@H](C)[C@@H](C)C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000356498857 428205493 /nfs/dbraw/zinc/20/54/93/428205493.db2.gz ACQPWVPBVTUEHC-GVDBMIGSSA-N 1 3 311.514 2.543 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCN(CC(C)C)C2)cn1 ZINC000414097469 428205885 /nfs/dbraw/zinc/20/58/85/428205885.db2.gz JCCQGVWQDSNWIC-WMZOPIPTSA-N 1 3 319.493 2.979 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000414097469 428205891 /nfs/dbraw/zinc/20/58/91/428205891.db2.gz JCCQGVWQDSNWIC-WMZOPIPTSA-N 1 3 319.493 2.979 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000414097469 428205895 /nfs/dbraw/zinc/20/58/95/428205895.db2.gz JCCQGVWQDSNWIC-WMZOPIPTSA-N 1 3 319.493 2.979 20 0 DFADHO CC[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@@H]1C[C@H]1C ZINC000414111707 428209751 /nfs/dbraw/zinc/20/97/51/428209751.db2.gz MSQUNYKGYVWFOT-KURKYZTESA-N 1 3 307.526 2.961 20 0 DFADHO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000360289783 428237835 /nfs/dbraw/zinc/23/78/35/428237835.db2.gz BIUAPEINPNNIIB-WMLDXEAASA-N 1 3 321.509 2.534 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370676903 428271001 /nfs/dbraw/zinc/27/10/01/428271001.db2.gz PERYGMJGVJJUKA-OTWHNJEPSA-N 1 3 320.452 2.990 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370676903 428271006 /nfs/dbraw/zinc/27/10/06/428271006.db2.gz PERYGMJGVJJUKA-OTWHNJEPSA-N 1 3 320.452 2.990 20 0 DFADHO CCc1ncc(CNCC2CC[NH+](CCC(C)C)CC2)cn1 ZINC000414359160 428271556 /nfs/dbraw/zinc/27/15/56/428271556.db2.gz DLOJHJVFVJJROB-UHFFFAOYSA-N 1 3 304.482 2.887 20 0 DFADHO c1cc2c(cc1CCCN[C@@H]1CC[N@@H+]3CCC[C@H]3C1)OCCO2 ZINC000414376332 428276134 /nfs/dbraw/zinc/27/61/34/428276134.db2.gz HGMXKKLYTWWANJ-SJORKVTESA-N 1 3 316.445 2.607 20 0 DFADHO c1cc2c(cc1CCCN[C@@H]1CC[N@H+]3CCC[C@H]3C1)OCCO2 ZINC000414376332 428276138 /nfs/dbraw/zinc/27/61/38/428276138.db2.gz HGMXKKLYTWWANJ-SJORKVTESA-N 1 3 316.445 2.607 20 0 DFADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cccc(OCC(F)(F)F)c1 ZINC000346694595 428276851 /nfs/dbraw/zinc/27/68/51/428276851.db2.gz VBCWJSZBRRCRNO-DGCLKSJQSA-N 1 3 302.340 2.797 20 0 DFADHO Cc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)c1 ZINC000370706672 428278668 /nfs/dbraw/zinc/27/86/68/428278668.db2.gz CCVVOHMTZNQXGA-ICSRJNTNSA-N 1 3 315.505 2.761 20 0 DFADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(OC)c(OC)c2C)C1 ZINC000342027960 428282762 /nfs/dbraw/zinc/28/27/62/428282762.db2.gz QJPFUGWZVFEFPG-OAHLLOKOSA-N 1 3 306.450 2.834 20 0 DFADHO COCCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000341896659 428244068 /nfs/dbraw/zinc/24/40/68/428244068.db2.gz IWVIESAMNGSRHP-ZMSDIMECSA-N 1 3 306.450 2.530 20 0 DFADHO CN1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)[C@H]2CCC[C@H]21 ZINC000370583277 428245458 /nfs/dbraw/zinc/24/54/58/428245458.db2.gz IVRFQTHUKAYLHF-QLFBSQMISA-N 1 3 309.841 2.576 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOc2ccc(Cl)cn2)[C@H]2CCC[C@H]21 ZINC000370583277 428245462 /nfs/dbraw/zinc/24/54/62/428245462.db2.gz IVRFQTHUKAYLHF-QLFBSQMISA-N 1 3 309.841 2.576 20 0 DFADHO C[N@H+]1CC[C@H](NCCOc2ccc(Cl)cn2)[C@H]2CCC[C@H]21 ZINC000370583277 428245464 /nfs/dbraw/zinc/24/54/64/428245464.db2.gz IVRFQTHUKAYLHF-QLFBSQMISA-N 1 3 309.841 2.576 20 0 DFADHO CN1CC[C@H]([NH2+]CCOc2ncccc2Cl)[C@H]2CCC[C@H]21 ZINC000370586055 428247046 /nfs/dbraw/zinc/24/70/46/428247046.db2.gz ZXPMRUSUPKEFJF-VHDGCEQUSA-N 1 3 309.841 2.576 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOc2ncccc2Cl)[C@H]2CCC[C@H]21 ZINC000370586055 428247050 /nfs/dbraw/zinc/24/70/50/428247050.db2.gz ZXPMRUSUPKEFJF-VHDGCEQUSA-N 1 3 309.841 2.576 20 0 DFADHO C[N@H+]1CC[C@H](NCCOc2ncccc2Cl)[C@H]2CCC[C@H]21 ZINC000370586055 428247055 /nfs/dbraw/zinc/24/70/55/428247055.db2.gz ZXPMRUSUPKEFJF-VHDGCEQUSA-N 1 3 309.841 2.576 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C)[C@H]2c2cccs2)CCN1C ZINC000370620103 428253810 /nfs/dbraw/zinc/25/38/10/428253810.db2.gz KOMKAZMPNICXGC-KCYZZUKISA-N 1 3 307.507 2.813 20 0 DFADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370637198 428258908 /nfs/dbraw/zinc/25/89/08/428258908.db2.gz UDTOJMNIGLIIJD-FUHWJXTLSA-N 1 3 301.478 2.814 20 0 DFADHO C[C@@H]1[NH2+]CCC[C@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000414620850 428355456 /nfs/dbraw/zinc/35/54/56/428355456.db2.gz LNXFQYBCVARBQW-SWLSCSKDSA-N 1 3 300.406 2.654 20 0 DFADHO Cn1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2cccs2)n1 ZINC000346824058 428332069 /nfs/dbraw/zinc/33/20/69/428332069.db2.gz KWIOQPTWQGRQHE-CFVMTHIKSA-N 1 3 316.474 2.708 20 0 DFADHO Cc1cccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000346833671 428337711 /nfs/dbraw/zinc/33/77/11/428337711.db2.gz MHKNMESRVSTDCX-SZMVWBNQSA-N 1 3 310.445 2.944 20 0 DFADHO Cn1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2ccccc2)n1 ZINC000346838362 428339355 /nfs/dbraw/zinc/33/93/55/428339355.db2.gz XBGVGBWUUKMSQP-JQHSSLGASA-N 1 3 310.445 2.646 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(Oc4cnccn4)cc3)C[C@@H]21 ZINC000346839745 428340422 /nfs/dbraw/zinc/34/04/22/428340422.db2.gz SVUSKJODPMJGPB-BPQIPLTHSA-N 1 3 324.428 2.828 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1CCCOC1 ZINC000356874473 428341060 /nfs/dbraw/zinc/34/10/60/428341060.db2.gz QHHBAAFCGGOJLH-NVXWUHKLSA-N 1 3 303.450 2.703 20 0 DFADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1CCCOC1 ZINC000356874472 428343186 /nfs/dbraw/zinc/34/31/86/428343186.db2.gz QHHBAAFCGGOJLH-DOTOQJQBSA-N 1 3 303.450 2.703 20 0 DFADHO COc1ccc(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c(C)c1OC ZINC000342194160 428344690 /nfs/dbraw/zinc/34/46/90/428344690.db2.gz VRTRIZCEDZZQNL-JKSUJKDBSA-N 1 3 306.450 2.975 20 0 DFADHO Clc1ccc(CN2CCCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346852760 428347601 /nfs/dbraw/zinc/34/76/01/428347601.db2.gz XJFQVDBOGBQSMR-KRWDZBQOSA-N 1 3 321.896 2.847 20 0 DFADHO [NH3+]CCOCCN(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000357105173 428389963 /nfs/dbraw/zinc/38/99/63/428389963.db2.gz NHXDIWZDDADYPT-UHFFFAOYSA-N 1 3 303.233 2.933 20 0 DFADHO C[C@@H]1C[C@H](CN2CCNC[C@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000414739234 428390262 /nfs/dbraw/zinc/39/02/62/428390262.db2.gz PWQQDGLNJVBZAG-CPUCHLNUSA-N 1 3 307.869 2.674 20 0 DFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000346978388 428391371 /nfs/dbraw/zinc/39/13/71/428391371.db2.gz LELHSZJDCORZIT-IRXDYDNUSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000346978382 428391438 /nfs/dbraw/zinc/39/14/38/428391438.db2.gz LELHSZJDCORZIT-IAGOWNOFSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCc4nccn4C3)CC2)C1 ZINC000371482576 428391417 /nfs/dbraw/zinc/39/14/17/428391417.db2.gz YZVTUKNCEDUYRH-KBAYOESNSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCc4nccn4C3)CC2)C1 ZINC000371482576 428391425 /nfs/dbraw/zinc/39/14/25/428391425.db2.gz YZVTUKNCEDUYRH-KBAYOESNSA-N 1 3 316.493 2.831 20 0 DFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC3(CCCCC3)CC2)C1 ZINC000414746095 428393871 /nfs/dbraw/zinc/39/38/71/428393871.db2.gz QCUCFUWDRUIVJZ-QGZVFWFLSA-N 1 3 321.509 2.620 20 0 DFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCC3(CCCCC3)CC2)C1 ZINC000414746095 428393874 /nfs/dbraw/zinc/39/38/74/428393874.db2.gz QCUCFUWDRUIVJZ-QGZVFWFLSA-N 1 3 321.509 2.620 20 0 DFADHO Fc1ccc(-c2n[nH]cc2CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414764416 428398765 /nfs/dbraw/zinc/39/87/65/428398765.db2.gz DJVCWFWPWABUOR-GASCZTMLSA-N 1 3 314.408 2.647 20 0 DFADHO Cn1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2ccccc2)n1 ZINC000414774596 428401783 /nfs/dbraw/zinc/40/17/83/428401783.db2.gz YNDWTPXRPXKDIH-CALCHBBNSA-N 1 3 310.445 2.519 20 0 DFADHO c1cc(-c2n[nH]cc2CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414774618 428402439 /nfs/dbraw/zinc/40/24/39/428402439.db2.gz FMZVKKUSAIMANY-KBPBESRZSA-N 1 3 316.474 2.960 20 0 DFADHO c1cn(-c2ccccc2)nc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787735 428409569 /nfs/dbraw/zinc/40/95/69/428409569.db2.gz VXWFQVAMNWDGGE-DLBZAZTESA-N 1 3 310.445 2.694 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cc3ccccc3o2)CC1 ZINC000414789449 428411303 /nfs/dbraw/zinc/41/13/03/428411303.db2.gz OKRHMIXYHNYCHP-AEFFLSMTSA-N 1 3 300.402 2.761 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414796337 428412972 /nfs/dbraw/zinc/41/29/72/428412972.db2.gz HOIXSBZMMQHBEN-DGCLKSJQSA-N 1 3 320.330 2.984 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414790845 428413012 /nfs/dbraw/zinc/41/30/12/428413012.db2.gz ALJZCJOGHUNDBC-IOASZLSFSA-N 1 3 307.413 2.650 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414790845 428413017 /nfs/dbraw/zinc/41/30/17/428413017.db2.gz ALJZCJOGHUNDBC-IOASZLSFSA-N 1 3 307.413 2.650 20 0 DFADHO c1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c2c(c1)OCCCO2 ZINC000357091735 428383532 /nfs/dbraw/zinc/38/35/32/428383532.db2.gz WQYXDXQKMGWQJB-MRXNPFEDSA-N 1 3 316.445 2.669 20 0 DFADHO CN(CC[NH2+]C(C)(C)C)CC1CCN(c2ccncc2)CC1 ZINC000414719337 428385259 /nfs/dbraw/zinc/38/52/59/428385259.db2.gz XXTDUNHYBGXQGL-UHFFFAOYSA-N 1 3 304.482 2.618 20 0 DFADHO C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC1(N)CCCCCC1 ZINC000414858979 428434695 /nfs/dbraw/zinc/43/46/95/428434695.db2.gz LSSUMYSEEIUXEA-MRXNPFEDSA-N 1 3 309.498 2.809 20 0 DFADHO Clc1ccc(CN2CCC([NH2+][C@H]3CCCNC3)CC2)cc1 ZINC000414859529 428436040 /nfs/dbraw/zinc/43/60/40/428436040.db2.gz BABIWEFMGCTHHX-KRWDZBQOSA-N 1 3 307.869 2.646 20 0 DFADHO Clc1ccc(CN2CCC(N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414859529 428436042 /nfs/dbraw/zinc/43/60/42/428436042.db2.gz BABIWEFMGCTHHX-KRWDZBQOSA-N 1 3 307.869 2.646 20 0 DFADHO CSC1(C[NH2+]Cc2cnc3cccc(C)n23)CCN(C)CC1 ZINC000353216555 428436915 /nfs/dbraw/zinc/43/69/15/428436915.db2.gz GWKGMWVOMQGOJT-UHFFFAOYSA-N 1 3 318.490 2.560 20 0 DFADHO CSC1(CNCc2cnc3cccc(C)n23)CC[NH+](C)CC1 ZINC000353216555 428436921 /nfs/dbraw/zinc/43/69/21/428436921.db2.gz GWKGMWVOMQGOJT-UHFFFAOYSA-N 1 3 318.490 2.560 20 0 DFADHO NC1(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CCC1 ZINC000414870651 428438697 /nfs/dbraw/zinc/43/86/97/428438697.db2.gz CCAXUOCOCUJNLI-UHFFFAOYSA-N 1 3 324.350 2.862 20 0 DFADHO C[NH2+]CC1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000347086160 428439242 /nfs/dbraw/zinc/43/92/42/428439242.db2.gz DORMJAFZFLBENJ-UHFFFAOYSA-N 1 3 318.852 2.957 20 0 DFADHO Cc1cc(C[NH2+]CC2(N)CCCCCC2)ccc1-n1cncn1 ZINC000414862950 428439315 /nfs/dbraw/zinc/43/93/15/428439315.db2.gz WJPPOGVKIOPKLI-UHFFFAOYSA-N 1 3 313.449 2.717 20 0 DFADHO CC(=O)Nc1ccccc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347086909 428439475 /nfs/dbraw/zinc/43/94/75/428439475.db2.gz CXKGDCIVZITBDH-QGZVFWFLSA-N 1 3 301.434 2.609 20 0 DFADHO C[C@@H](C[NH3+])CNCc1ccc(OC(F)F)c(Br)c1 ZINC000414878181 428441819 /nfs/dbraw/zinc/44/18/19/428441819.db2.gz NZXPXBPRIPTNGU-QMMMGPOBSA-N 1 3 323.181 2.735 20 0 DFADHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H](C)CN ZINC000414871562 428442061 /nfs/dbraw/zinc/44/20/61/428442061.db2.gz DEIIESMZQBQGMM-VHSXEESVSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@H](Cc1ccc(Br)c(F)c1)NC[C@@H](C)C[NH3+] ZINC000414871562 428442064 /nfs/dbraw/zinc/44/20/64/428442064.db2.gz DEIIESMZQBQGMM-VHSXEESVSA-N 1 3 303.219 2.704 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000357225745 428444202 /nfs/dbraw/zinc/44/42/02/428444202.db2.gz BLKSBECMQJIWDK-DFQSSKMNSA-N 1 3 315.505 2.828 20 0 DFADHO C[C@H](C[NH3+])CNCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414881094 428444629 /nfs/dbraw/zinc/44/46/29/428444629.db2.gz RYLLUZMUTBZICL-CQSZACIVSA-N 1 3 313.449 2.745 20 0 DFADHO CC(C)N(C)CC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000357229649 428446377 /nfs/dbraw/zinc/44/63/77/428446377.db2.gz IHWHLZFJQONBFP-HKUYNNGSSA-N 1 3 303.494 2.827 20 0 DFADHO N[C@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000414889768 428446721 /nfs/dbraw/zinc/44/67/21/428446721.db2.gz LRVCXSRTHKKWTE-QGZVFWFLSA-N 1 3 307.869 2.631 20 0 DFADHO [NH3+][C@H](CNC1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000414889768 428446723 /nfs/dbraw/zinc/44/67/23/428446723.db2.gz LRVCXSRTHKKWTE-QGZVFWFLSA-N 1 3 307.869 2.631 20 0 DFADHO C[C@H](CC[NH2+]C[C@@](C)(O)C(F)(F)F)N(C)Cc1ccccc1 ZINC000379656175 428451595 /nfs/dbraw/zinc/45/15/95/428451595.db2.gz OJBCLMKIFQUJRZ-UKRRQHHQSA-N 1 3 318.383 2.800 20 0 DFADHO COc1ccc2nc(CNCC3(C)CC[NH2+]CC3)sc2c1 ZINC000414904551 428453258 /nfs/dbraw/zinc/45/32/58/428453258.db2.gz NLCRHRUWPFZXLJ-UHFFFAOYSA-N 1 3 305.447 2.784 20 0 DFADHO COc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000414906939 428453287 /nfs/dbraw/zinc/45/32/87/428453287.db2.gz ABXNECBSJUTFJY-NEPJUHHUSA-N 1 3 313.239 2.817 20 0 DFADHO CC[C@H](C[NH+]1CCC(N(C)C[C@H](C)O)CC1)c1ccccc1 ZINC000353260973 428455775 /nfs/dbraw/zinc/45/57/75/428455775.db2.gz PJRUGIHEYYRVRI-DLBZAZTESA-N 1 3 304.478 2.957 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H]1CC[NH2+]C1 ZINC000414917017 428457028 /nfs/dbraw/zinc/45/70/28/428457028.db2.gz QUVCRQNXZVSAIC-OLZOCXBDSA-N 1 3 309.841 2.565 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NC[C@]2(C)CCC[NH2+]C2)c1C ZINC000414919147 428457787 /nfs/dbraw/zinc/45/77/87/428457787.db2.gz WGYXADVMBZCIPD-HNAYVOBHSA-N 1 3 317.477 3.000 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(C)CCCNC2)c1C ZINC000414919147 428457795 /nfs/dbraw/zinc/45/77/95/428457795.db2.gz WGYXADVMBZCIPD-HNAYVOBHSA-N 1 3 317.477 3.000 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000414924247 428458909 /nfs/dbraw/zinc/45/89/09/428458909.db2.gz IMPLCBNKHAHOTI-NUEKZKHPSA-N 1 3 306.450 2.613 20 0 DFADHO C[C@@H](CN)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414948564 428468124 /nfs/dbraw/zinc/46/81/24/428468124.db2.gz XQMFSRMSGLCWKN-ZETCQYMHSA-N 1 3 322.044 2.648 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)c1C ZINC000414950943 428469498 /nfs/dbraw/zinc/46/94/98/428469498.db2.gz PFNORRVOPSDFQZ-YCPHGPKFSA-N 1 3 303.450 2.751 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)c1C ZINC000414950943 428469504 /nfs/dbraw/zinc/46/95/04/428469504.db2.gz PFNORRVOPSDFQZ-YCPHGPKFSA-N 1 3 303.450 2.751 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(-n2ccnc2)c(F)c1 ZINC000414804236 428415023 /nfs/dbraw/zinc/41/50/23/428415023.db2.gz OKZCLFURZAXTBG-HOCLYGCPSA-N 1 3 302.397 2.619 20 0 DFADHO CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000414804371 428417236 /nfs/dbraw/zinc/41/72/36/428417236.db2.gz OSIIFGZTRYAKLJ-GOEBONIOSA-N 1 3 309.498 2.521 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cc(Cl)c2c(c1)OCCO2 ZINC000414804359 428417296 /nfs/dbraw/zinc/41/72/96/428417296.db2.gz OQZDHBOVQQFAIQ-TZMCWYRMSA-N 1 3 310.825 2.718 20 0 DFADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(N3CCCC3)nc2)cc1 ZINC000414810085 428418536 /nfs/dbraw/zinc/41/85/36/428418536.db2.gz NKTFZTLTYGAAHL-OAHLLOKOSA-N 1 3 310.445 2.991 20 0 DFADHO CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353181595 428418585 /nfs/dbraw/zinc/41/85/85/428418585.db2.gz HVCBFGWCFIJDNI-NXHRZFHOSA-N 1 3 317.477 2.673 20 0 DFADHO CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353181595 428418587 /nfs/dbraw/zinc/41/85/87/428418587.db2.gz HVCBFGWCFIJDNI-NXHRZFHOSA-N 1 3 317.477 2.673 20 0 DFADHO Cc1nc(COc2ccc(CNCC[C@H](C)[NH3+])cc2)cs1 ZINC000414818044 428420647 /nfs/dbraw/zinc/42/06/47/428420647.db2.gz CNUOLLGXILWIOQ-LBPRGKRZSA-N 1 3 305.447 2.857 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000347045952 428422115 /nfs/dbraw/zinc/42/21/15/428422115.db2.gz GTVPQSVSPMSTRP-NJAFHUGGSA-N 1 3 322.880 2.660 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000347045952 428422117 /nfs/dbraw/zinc/42/21/17/428422117.db2.gz GTVPQSVSPMSTRP-NJAFHUGGSA-N 1 3 322.880 2.660 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000347045952 428422125 /nfs/dbraw/zinc/42/21/25/428422125.db2.gz GTVPQSVSPMSTRP-NJAFHUGGSA-N 1 3 322.880 2.660 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000347045952 428422127 /nfs/dbraw/zinc/42/21/27/428422127.db2.gz GTVPQSVSPMSTRP-NJAFHUGGSA-N 1 3 322.880 2.660 20 0 DFADHO C[C@@H]([NH3+])CCN[C@@H](C)Cc1ccc(Br)cc1F ZINC000414825189 428424057 /nfs/dbraw/zinc/42/40/57/428424057.db2.gz SBWZKOILDDPERT-ZJUUUORDSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@@H](N)CC[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414825189 428424064 /nfs/dbraw/zinc/42/40/64/428424064.db2.gz SBWZKOILDDPERT-ZJUUUORDSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@@H](N)CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414825362 428424126 /nfs/dbraw/zinc/42/41/26/428424126.db2.gz SIKUZCWZZFMJSL-GFCCVEGCSA-N 1 3 313.848 2.770 20 0 DFADHO C[C@@H]([NH3+])CCNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414825362 428424132 /nfs/dbraw/zinc/42/41/32/428424132.db2.gz SIKUZCWZZFMJSL-GFCCVEGCSA-N 1 3 313.848 2.770 20 0 DFADHO C[C@@H]([NH3+])CCN[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414824060 428425580 /nfs/dbraw/zinc/42/55/80/428425580.db2.gz QAZGGYKUPLHWDT-GHMZBOCLSA-N 1 3 317.355 2.749 20 0 DFADHO Cc1noc(C2(C)CC[NH+](CC[C@@H]3CCCCN3C)CC2)n1 ZINC000378580598 428429790 /nfs/dbraw/zinc/42/97/90/428429790.db2.gz LSLAPPSJHOLXMI-HNNXBMFYSA-N 1 3 306.454 2.606 20 0 DFADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CCCNC1 ZINC000414837024 428430410 /nfs/dbraw/zinc/43/04/10/428430410.db2.gz VJFQMBFDMAVLAU-CVEARBPZSA-N 1 3 306.450 2.614 20 0 DFADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000378582828 428433044 /nfs/dbraw/zinc/43/30/44/428433044.db2.gz PKINAIGANWIOEA-GJZGRUSLSA-N 1 3 308.495 2.574 20 0 DFADHO Cn1c2ccc(Cl)cc2nc1CNC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414994875 428481808 /nfs/dbraw/zinc/48/18/08/428481808.db2.gz DXSCVJVTESRERD-YPMHNXCESA-N 1 3 306.841 2.834 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](CNCc2csc(-c3ccccn3)n2)C1 ZINC000414999352 428485846 /nfs/dbraw/zinc/48/58/46/428485846.db2.gz RSPJJSBCQZMZNZ-CHWSQXEVSA-N 1 3 302.447 2.812 20 0 DFADHO Cn1c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)nc2cc(Cl)ccc21 ZINC000415000856 428485887 /nfs/dbraw/zinc/48/58/87/428485887.db2.gz BQXABTMROQVZNF-UONOGXRCSA-N 1 3 318.852 2.704 20 0 DFADHO COCCOc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000347203923 428491302 /nfs/dbraw/zinc/49/13/02/428491302.db2.gz LAOJDPGYEQXFNE-LJQANCHMSA-N 1 3 318.461 2.676 20 0 DFADHO [NH3+]C[C@@H]1CC[C@H](NCc2c(F)cccc2Br)C1 ZINC000415029977 428492666 /nfs/dbraw/zinc/49/26/66/428492666.db2.gz FJDRAXZPWRRCCV-ZJUUUORDSA-N 1 3 301.203 2.805 20 0 DFADHO CC(=O)Nc1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415036699 428495513 /nfs/dbraw/zinc/49/55/13/428495513.db2.gz GCNRHWRLTDZIAS-SJLPKXTDSA-N 1 3 301.434 2.609 20 0 DFADHO [NH3+]C[C@H]1CC[C@H](NCc2c(F)ccc(Br)c2F)C1 ZINC000415038885 428495750 /nfs/dbraw/zinc/49/57/50/428495750.db2.gz NUDXPQLTXHBWRE-IUCAKERBSA-N 1 3 319.193 2.944 20 0 DFADHO C[C@H](CNC[C@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000415047311 428497938 /nfs/dbraw/zinc/49/79/38/428497938.db2.gz WBFOIDMKKTUUNT-IUODEOHRSA-N 1 3 316.367 2.777 20 0 DFADHO C[C@H](C[NH2+]C[C@H]1CNCCCO1)c1ccc(C(F)(F)F)cc1 ZINC000415047311 428497941 /nfs/dbraw/zinc/49/79/41/428497941.db2.gz WBFOIDMKKTUUNT-IUODEOHRSA-N 1 3 316.367 2.777 20 0 DFADHO C[C@@H]1CN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@@]1(C)C[NH3+] ZINC000415050902 428499758 /nfs/dbraw/zinc/49/97/58/428499758.db2.gz DUFMHRKOBDVICR-AYOQOUSVSA-N 1 3 318.461 2.661 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@@]1(C)CN ZINC000415050902 428499764 /nfs/dbraw/zinc/49/97/64/428499764.db2.gz DUFMHRKOBDVICR-AYOQOUSVSA-N 1 3 318.461 2.661 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@@]1(C)CN ZINC000415050902 428499770 /nfs/dbraw/zinc/49/97/70/428499770.db2.gz DUFMHRKOBDVICR-AYOQOUSVSA-N 1 3 318.461 2.661 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415053492 428501237 /nfs/dbraw/zinc/50/12/37/428501237.db2.gz KBRZFKWXIVWARJ-ZRGWGRIASA-N 1 3 317.477 2.883 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415053492 428501242 /nfs/dbraw/zinc/50/12/42/428501242.db2.gz KBRZFKWXIVWARJ-ZRGWGRIASA-N 1 3 317.477 2.883 20 0 DFADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000397349814 428508474 /nfs/dbraw/zinc/50/84/74/428508474.db2.gz HYYPDHZWVYYPMQ-HZSPNIEDSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1CN ZINC000397349814 428508477 /nfs/dbraw/zinc/50/84/77/428508477.db2.gz HYYPDHZWVYYPMQ-HZSPNIEDSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1CN ZINC000397349814 428508482 /nfs/dbraw/zinc/50/84/82/428508482.db2.gz HYYPDHZWVYYPMQ-HZSPNIEDSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@H]1CCC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397499183 428511983 /nfs/dbraw/zinc/51/19/83/428511983.db2.gz UISMOQIGSUQZJA-FUHWJXTLSA-N 1 3 302.462 2.792 20 0 DFADHO C[NH+](C)C1(CNC(=O)[C@H]2CCCCN2C2CCCC2)CCCC1 ZINC000343074797 428514121 /nfs/dbraw/zinc/51/41/21/428514121.db2.gz WYIWXKUJNOKVIU-QGZVFWFLSA-N 1 3 321.509 2.774 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000415087625 428516259 /nfs/dbraw/zinc/51/62/59/428516259.db2.gz WGYMMVXCXREZLI-DJIMGWMZSA-N 1 3 306.425 2.887 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN[C@H]1C ZINC000398113432 428518569 /nfs/dbraw/zinc/51/85/69/428518569.db2.gz DVDTXPIMNNXKQT-KCITZHQASA-N 1 3 301.478 2.627 20 0 DFADHO Fc1ccc(CN2CCC([NH2+]C[C@H]3CCCNC3)CC2)cc1F ZINC000415107968 428520793 /nfs/dbraw/zinc/52/07/93/428520793.db2.gz OJECQEAPTLPXML-HNNXBMFYSA-N 1 3 323.431 2.518 20 0 DFADHO CC[C@@H](C)C[NH2+]Cc1ccccc1CN1CCN(CC)CC1 ZINC000357417076 428522714 /nfs/dbraw/zinc/52/27/14/428522714.db2.gz NQRBXFDUZHJBGS-QGZVFWFLSA-N 1 3 303.494 2.960 20 0 DFADHO CN1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000353409261 428524272 /nfs/dbraw/zinc/52/42/72/428524272.db2.gz WEVRBGMBFVVXJC-RRQGHBQHSA-N 1 3 310.388 2.806 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOc2ccc(F)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000353409261 428524278 /nfs/dbraw/zinc/52/42/78/428524278.db2.gz WEVRBGMBFVVXJC-RRQGHBQHSA-N 1 3 310.388 2.806 20 0 DFADHO C[N@H+]1CC[C@H](NCCOc2ccc(F)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000353409261 428524285 /nfs/dbraw/zinc/52/42/85/428524285.db2.gz WEVRBGMBFVVXJC-RRQGHBQHSA-N 1 3 310.388 2.806 20 0 DFADHO COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H](C)[C@@H](CN)C2)cc1F ZINC000415120004 428527040 /nfs/dbraw/zinc/52/70/40/428527040.db2.gz FQQDLQKCRMHQTP-LZWOXQAQSA-N 1 3 308.441 2.930 20 0 DFADHO COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H](C)[C@@H](CN)C2)cc1F ZINC000415120004 428527045 /nfs/dbraw/zinc/52/70/45/428527045.db2.gz FQQDLQKCRMHQTP-LZWOXQAQSA-N 1 3 308.441 2.930 20 0 DFADHO COc1ccc(C[C@H](C)CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000415120004 428527051 /nfs/dbraw/zinc/52/70/51/428527051.db2.gz FQQDLQKCRMHQTP-LZWOXQAQSA-N 1 3 308.441 2.930 20 0 DFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C/C=C\c2ccccc2)CC1 ZINC000415127471 428529858 /nfs/dbraw/zinc/52/98/58/428529858.db2.gz NGRIBSDABMVRMY-CIWFJCTISA-N 1 3 300.446 2.918 20 0 DFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000390749342 428473449 /nfs/dbraw/zinc/47/34/49/428473449.db2.gz RPYJJUTWKGFSOZ-RDJZCZTQSA-N 1 3 319.493 2.647 20 0 DFADHO C[C@@H]1NCCC[C@@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414955264 428473497 /nfs/dbraw/zinc/47/34/97/428473497.db2.gz ODLRCEIKJYEYNE-KXBFYZLASA-N 1 3 319.468 2.563 20 0 DFADHO [NH3+]CC1(O)CCN(Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000415146796 428536351 /nfs/dbraw/zinc/53/63/51/428536351.db2.gz ZINNLPMUCKQUHH-UHFFFAOYSA-N 1 3 320.433 2.840 20 0 DFADHO COc1cc(OC)c(CNC2CCC([NH+](C)C)CC2)c(OC)c1 ZINC000353444463 428538764 /nfs/dbraw/zinc/53/87/64/428538764.db2.gz UWGZOYREBWVUBK-UHFFFAOYSA-N 1 3 322.449 2.675 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353451534 428541810 /nfs/dbraw/zinc/54/18/10/428541810.db2.gz AGXSRLSDUHYKGL-MTQWCTHYSA-N 1 3 315.505 2.622 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353451534 428541815 /nfs/dbraw/zinc/54/18/15/428541815.db2.gz AGXSRLSDUHYKGL-MTQWCTHYSA-N 1 3 315.505 2.622 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353451534 428541820 /nfs/dbraw/zinc/54/18/20/428541820.db2.gz AGXSRLSDUHYKGL-MTQWCTHYSA-N 1 3 315.505 2.622 20 0 DFADHO COc1ccc(OCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1 ZINC000353456718 428545197 /nfs/dbraw/zinc/54/51/97/428545197.db2.gz WPOUYKPNPRDXNB-KURKYZTESA-N 1 3 304.434 2.536 20 0 DFADHO COc1ccc(OCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000353456718 428545204 /nfs/dbraw/zinc/54/52/04/428545204.db2.gz WPOUYKPNPRDXNB-KURKYZTESA-N 1 3 304.434 2.536 20 0 DFADHO COc1ccc(OCCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000353456718 428545210 /nfs/dbraw/zinc/54/52/10/428545210.db2.gz WPOUYKPNPRDXNB-KURKYZTESA-N 1 3 304.434 2.536 20 0 DFADHO Brc1ccsc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401033265 428550776 /nfs/dbraw/zinc/55/07/76/428550776.db2.gz XWDYNFKOTALQDH-OUAUKWLOSA-N 1 3 315.280 2.988 20 0 DFADHO C[C@H](NC[C@H](O)C[NH+]1CCCC1)C1(c2ccccc2)CCCC1 ZINC000343520182 428554834 /nfs/dbraw/zinc/55/48/34/428554834.db2.gz CXZICGHSFOXGGZ-HKUYNNGSSA-N 1 3 316.489 2.933 20 0 DFADHO CC(C)N(C[C@H](C)C[N@H+](C(C)C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361409488 428564776 /nfs/dbraw/zinc/56/47/76/428564776.db2.gz WDTRFMAUCTVLCF-BCDXTJNWSA-N 1 3 312.498 2.621 20 0 DFADHO CC(C)N(C[C@H](C)C[N@@H+](C(C)C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361409488 428564778 /nfs/dbraw/zinc/56/47/78/428564778.db2.gz WDTRFMAUCTVLCF-BCDXTJNWSA-N 1 3 312.498 2.621 20 0 DFADHO CC(C)N(C[C@@H](C)C[N@H+](C(C)C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361409488 428564783 /nfs/dbraw/zinc/56/47/83/428564783.db2.gz WDTRFMAUCTVLCF-BCDXTJNWSA-N 1 3 312.498 2.621 20 0 DFADHO CC(C)N(C[C@@H](C)C[N@@H+](C(C)C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361409488 428564787 /nfs/dbraw/zinc/56/47/87/428564787.db2.gz WDTRFMAUCTVLCF-BCDXTJNWSA-N 1 3 312.498 2.621 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccccc2-n2ccnc2)[C@H]2CCC[C@H]21 ZINC000353494661 428564988 /nfs/dbraw/zinc/56/49/88/428564988.db2.gz DIIXSUGJCOKNNL-ZIFCJYIRSA-N 1 3 310.445 2.835 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccccc2-n2ccnc2)[C@H]2CCC[C@H]21 ZINC000353494661 428564991 /nfs/dbraw/zinc/56/49/91/428564991.db2.gz DIIXSUGJCOKNNL-ZIFCJYIRSA-N 1 3 310.445 2.835 20 0 DFADHO CCc1nn(C)c(CC)c1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000343737114 428567519 /nfs/dbraw/zinc/56/75/19/428567519.db2.gz IIGZMZBMYKNGHZ-UHFFFAOYSA-N 1 3 304.482 2.651 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)CNC2)CC(C)C ZINC000347525609 428597632 /nfs/dbraw/zinc/59/76/32/428597632.db2.gz QLWUOEDEPGDPEG-SFHVURJKSA-N 1 3 317.477 2.776 20 0 DFADHO Cc1nccn1CCN1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000347585543 428613992 /nfs/dbraw/zinc/61/39/92/428613992.db2.gz HMROVDXVJMTTLI-IRXDYDNUSA-N 1 3 312.461 2.786 20 0 DFADHO Cc1nccn1CCN1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000347585543 428613996 /nfs/dbraw/zinc/61/39/96/428613996.db2.gz HMROVDXVJMTTLI-IRXDYDNUSA-N 1 3 312.461 2.786 20 0 DFADHO Cc1nccn1CC[N@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347585543 428614002 /nfs/dbraw/zinc/61/40/02/428614002.db2.gz HMROVDXVJMTTLI-IRXDYDNUSA-N 1 3 312.461 2.786 20 0 DFADHO Cc1nccn1CC[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347585543 428614007 /nfs/dbraw/zinc/61/40/07/428614007.db2.gz HMROVDXVJMTTLI-IRXDYDNUSA-N 1 3 312.461 2.786 20 0 DFADHO c1cc(CCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1OCC2 ZINC000373603312 428617549 /nfs/dbraw/zinc/61/75/49/428617549.db2.gz IUVMYYYWWNXFRJ-ROUUACIJSA-N 1 3 300.446 2.771 20 0 DFADHO c1cc(CCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCC2 ZINC000373603312 428617556 /nfs/dbraw/zinc/61/75/56/428617556.db2.gz IUVMYYYWWNXFRJ-ROUUACIJSA-N 1 3 300.446 2.771 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)CN2CCCCC2)c1 ZINC000415904389 428621940 /nfs/dbraw/zinc/62/19/40/428621940.db2.gz AUWNHDZSOSMSIB-HNNXBMFYSA-N 1 3 318.465 2.792 20 0 DFADHO CNCc1ccccc1NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000415920304 428627235 /nfs/dbraw/zinc/62/72/35/428627235.db2.gz JTGFTQVPHMRDSR-HNNXBMFYSA-N 1 3 318.465 2.792 20 0 DFADHO COc1cccc(COCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000353629467 428629933 /nfs/dbraw/zinc/62/99/33/428629933.db2.gz FZDCIJNGKKMXPV-OTWHNJEPSA-N 1 3 318.461 2.674 20 0 DFADHO COc1cccc(COCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353629467 428629940 /nfs/dbraw/zinc/62/99/40/428629940.db2.gz FZDCIJNGKKMXPV-OTWHNJEPSA-N 1 3 318.461 2.674 20 0 DFADHO COc1cccc(COCCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353629467 428629943 /nfs/dbraw/zinc/62/99/43/428629943.db2.gz FZDCIJNGKKMXPV-OTWHNJEPSA-N 1 3 318.461 2.674 20 0 DFADHO CN1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccccc1 ZINC000415965259 428637351 /nfs/dbraw/zinc/63/73/51/428637351.db2.gz XTASWUGMLMZVLH-ZWKOTPCHSA-N 1 3 324.428 2.712 20 0 DFADHO COCCSCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000373895649 428654171 /nfs/dbraw/zinc/65/41/71/428654171.db2.gz AWSPUJRUXOESOJ-INIZCTEOSA-N 1 3 300.512 2.706 20 0 DFADHO COCCSCCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000373895650 428655232 /nfs/dbraw/zinc/65/52/32/428655232.db2.gz AWSPUJRUXOESOJ-MRXNPFEDSA-N 1 3 300.512 2.706 20 0 DFADHO CN(C)[C@@H](CC(=O)NCCCC[N@H+](C)C1CC1)c1ccccc1 ZINC000416242298 428698699 /nfs/dbraw/zinc/69/86/99/428698699.db2.gz FUPGLBCIFKXOJJ-SFHVURJKSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)[C@@H](CC(=O)NCCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000416242298 428698705 /nfs/dbraw/zinc/69/87/05/428698705.db2.gz FUPGLBCIFKXOJJ-SFHVURJKSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000344805168 428708010 /nfs/dbraw/zinc/70/80/10/428708010.db2.gz DKQSDAIRQBOWSJ-HOTGVXAUSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000344805168 428708015 /nfs/dbraw/zinc/70/80/15/428708015.db2.gz DKQSDAIRQBOWSJ-HOTGVXAUSA-N 1 3 309.498 2.630 20 0 DFADHO Cc1cc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)s1 ZINC000374626511 428716981 /nfs/dbraw/zinc/71/69/81/428716981.db2.gz VVRHAUIKNAIZAJ-AWEZNQCLSA-N 1 3 321.534 2.965 20 0 DFADHO Cc1cc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)c(C)s1 ZINC000374626511 428716998 /nfs/dbraw/zinc/71/69/98/428716998.db2.gz VVRHAUIKNAIZAJ-AWEZNQCLSA-N 1 3 321.534 2.965 20 0 DFADHO Cc1cc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)c(C)s1 ZINC000374626511 428717004 /nfs/dbraw/zinc/71/70/04/428717004.db2.gz VVRHAUIKNAIZAJ-AWEZNQCLSA-N 1 3 321.534 2.965 20 0 DFADHO CC(C)(C)[C@H]1NC(=O)CC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000353795595 428719597 /nfs/dbraw/zinc/71/95/97/428719597.db2.gz NCNNEURZMNDNSF-HOCLYGCPSA-N 1 3 309.498 2.532 20 0 DFADHO CC(C)CN(CCN(C)C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416152031 428678070 /nfs/dbraw/zinc/67/80/70/428678070.db2.gz UNPIQLSLOAPASL-SFHVURJKSA-N 1 3 319.493 2.726 20 0 DFADHO C[C@@H]1CN(C)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411267674 428767391 /nfs/dbraw/zinc/76/73/91/428767391.db2.gz ZFJSXRQLWPPOFC-QGZVFWFLSA-N 1 3 301.478 2.808 20 0 DFADHO COC(=O)C(C)(C)CCNC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000353911916 428774575 /nfs/dbraw/zinc/77/45/75/428774575.db2.gz HGNDPGDLLJEQLL-INIZCTEOSA-N 1 3 312.498 2.922 20 0 DFADHO CC(C)SCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000374911255 428783324 /nfs/dbraw/zinc/78/33/24/428783324.db2.gz KVKNLXPLDZYXKM-HZPDHXFCSA-N 1 3 314.539 2.949 20 0 DFADHO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000353940075 428787771 /nfs/dbraw/zinc/78/77/71/428787771.db2.gz ACZQGEYHGIUIIN-IEBWSBKVSA-N 1 3 320.477 2.922 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCN2CCCC[C@@H]2C)[C@@H]1C ZINC000353944132 428790187 /nfs/dbraw/zinc/79/01/87/428790187.db2.gz JSYKXTKZKRVNBD-YVSFHVDLSA-N 1 3 310.482 2.818 20 0 DFADHO C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000411117650 428743884 /nfs/dbraw/zinc/74/38/84/428743884.db2.gz LXCNHDSDEFIUQB-IEBWSBKVSA-N 1 3 301.478 2.677 20 0 DFADHO C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000411117650 428743887 /nfs/dbraw/zinc/74/38/87/428743887.db2.gz LXCNHDSDEFIUQB-IEBWSBKVSA-N 1 3 301.478 2.677 20 0 DFADHO COCCOCCN(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411736926 428849545 /nfs/dbraw/zinc/84/95/45/428849545.db2.gz OATUEYHBRSBRNU-UHFFFAOYSA-N 1 3 320.477 2.767 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc1)C1CC1 ZINC000353962776 428795725 /nfs/dbraw/zinc/79/57/25/428795725.db2.gz UYFXMPSMFCKGAL-OAHLLOKOSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000353978311 428802582 /nfs/dbraw/zinc/80/25/82/428802582.db2.gz KEDDITWQOUTXCZ-SOLBZPMBSA-N 1 3 320.477 2.950 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)N(C)C ZINC000362806360 428807124 /nfs/dbraw/zinc/80/71/24/428807124.db2.gz NHHUAUPTOYIPCI-WMZOPIPTSA-N 1 3 303.494 2.827 20 0 DFADHO O[C@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)CC12CC2 ZINC000411559716 428815784 /nfs/dbraw/zinc/81/57/84/428815784.db2.gz APLDJIIWDRPNEH-SFHVURJKSA-N 1 3 300.446 2.629 20 0 DFADHO C[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC[C@@H]1O ZINC000411568505 428820496 /nfs/dbraw/zinc/82/04/96/428820496.db2.gz LBKIJANSAYASSG-LPHOPBHVSA-N 1 3 302.462 2.875 20 0 DFADHO Cc1ccsc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000354025400 428829014 /nfs/dbraw/zinc/82/90/14/428829014.db2.gz CYQYTDLPOZCZBW-HOTGVXAUSA-N 1 3 307.507 2.514 20 0 DFADHO C[C@H]1C[C@H]1c1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000349059420 428910197 /nfs/dbraw/zinc/91/01/97/428910197.db2.gz BMDHZSGKWGWSHM-MAUKXSAKSA-N 1 3 319.493 2.861 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(OC)c(C)c2)C1 ZINC000354095946 428861063 /nfs/dbraw/zinc/86/10/63/428861063.db2.gz GDTHFNYNMQXKNP-GOSISDBHSA-N 1 3 320.477 2.936 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375349571 428863154 /nfs/dbraw/zinc/86/31/54/428863154.db2.gz NQNJRTZCXUIRQA-HNNXBMFYSA-N 1 3 323.431 2.961 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375349571 428863161 /nfs/dbraw/zinc/86/31/61/428863161.db2.gz NQNJRTZCXUIRQA-HNNXBMFYSA-N 1 3 323.431 2.961 20 0 DFADHO CCc1ccc(CN(CCN(C)C)C[C@H]2CCC[N@H+]2CC)o1 ZINC000349063551 428911036 /nfs/dbraw/zinc/91/10/36/428911036.db2.gz QFEPPNUWWJABHP-MRXNPFEDSA-N 1 3 307.482 2.690 20 0 DFADHO CCc1ccc(CN(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)o1 ZINC000349063551 428911038 /nfs/dbraw/zinc/91/10/38/428911038.db2.gz QFEPPNUWWJABHP-MRXNPFEDSA-N 1 3 307.482 2.690 20 0 DFADHO CCC[C@H](C[N@@H+]1CC[C@@H](N2CCNCC2)C1)c1ccccc1 ZINC000348973668 428891124 /nfs/dbraw/zinc/89/11/24/428891124.db2.gz IJHYRTRJGSWERY-RTBURBONSA-N 1 3 301.478 2.550 20 0 DFADHO CCC[C@H](C[N@H+]1CC[C@@H](N2CCNCC2)C1)c1ccccc1 ZINC000348973668 428891128 /nfs/dbraw/zinc/89/11/28/428891128.db2.gz IJHYRTRJGSWERY-RTBURBONSA-N 1 3 301.478 2.550 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(F)cc1 ZINC000349080147 428914674 /nfs/dbraw/zinc/91/46/74/428914674.db2.gz SLEPTPVPGPLJER-GOSISDBHSA-N 1 3 307.457 2.674 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(F)cc1 ZINC000349080147 428914676 /nfs/dbraw/zinc/91/46/76/428914676.db2.gz SLEPTPVPGPLJER-GOSISDBHSA-N 1 3 307.457 2.674 20 0 DFADHO CC(C)C[C@H](CNC[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000354211697 428917032 /nfs/dbraw/zinc/91/70/32/428917032.db2.gz NMXCFJWKIRCLCR-MOPGFXCFSA-N 1 3 304.478 2.863 20 0 DFADHO COc1ccc([C@H](O)[C@H]2CCC[N@@H+]2CCCN2CCCC2)cc1 ZINC000363458697 428919159 /nfs/dbraw/zinc/91/91/59/428919159.db2.gz ACZWXJRZPHURQK-MOPGFXCFSA-N 1 3 318.461 2.679 20 0 DFADHO COc1ccc([C@H](O)[C@H]2CCC[N@H+]2CCCN2CCCC2)cc1 ZINC000363458697 428919162 /nfs/dbraw/zinc/91/91/62/428919162.db2.gz ACZWXJRZPHURQK-MOPGFXCFSA-N 1 3 318.461 2.679 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000349119613 428924456 /nfs/dbraw/zinc/92/44/56/428924456.db2.gz QUTTXGZZOWMZOA-MSOLQXFVSA-N 1 3 323.525 2.734 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)NCC2CCCCC2)C[C@@H]1C ZINC000354226269 428926382 /nfs/dbraw/zinc/92/63/82/428926382.db2.gz VXZQTQCOKRJJTO-WMZOPIPTSA-N 1 3 323.525 2.878 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)NCC2CCCCC2)C[C@@H]1C ZINC000354226269 428926387 /nfs/dbraw/zinc/92/63/87/428926387.db2.gz VXZQTQCOKRJJTO-WMZOPIPTSA-N 1 3 323.525 2.878 20 0 DFADHO CCN1CC[C@H]([N@H+](C)Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC000354226708 428930641 /nfs/dbraw/zinc/93/06/41/428930641.db2.gz XMZSOFFQTOSARS-KDOFPFPSSA-N 1 3 303.450 2.950 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC000354226708 428930644 /nfs/dbraw/zinc/93/06/44/428930644.db2.gz XMZSOFFQTOSARS-KDOFPFPSSA-N 1 3 303.450 2.950 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC000354226712 428930748 /nfs/dbraw/zinc/93/07/48/428930748.db2.gz XMZSOFFQTOSARS-RDTXWAMCSA-N 1 3 303.450 2.950 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC000354226712 428930750 /nfs/dbraw/zinc/93/07/50/428930750.db2.gz XMZSOFFQTOSARS-RDTXWAMCSA-N 1 3 303.450 2.950 20 0 DFADHO COC(=O)[C@H](C)C[N@@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000375673338 428937165 /nfs/dbraw/zinc/93/71/65/428937165.db2.gz FPODCWWEHKMPFV-AEFFLSMTSA-N 1 3 318.461 2.782 20 0 DFADHO COC(=O)[C@H](C)C[N@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000375673338 428937169 /nfs/dbraw/zinc/93/71/69/428937169.db2.gz FPODCWWEHKMPFV-AEFFLSMTSA-N 1 3 318.461 2.782 20 0 DFADHO COC(=O)[C@H](C)C[N@@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000375673340 428938150 /nfs/dbraw/zinc/93/81/50/428938150.db2.gz FPODCWWEHKMPFV-SJLPKXTDSA-N 1 3 318.461 2.782 20 0 DFADHO COC(=O)[C@H](C)C[N@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000375673340 428938154 /nfs/dbraw/zinc/93/81/54/428938154.db2.gz FPODCWWEHKMPFV-SJLPKXTDSA-N 1 3 318.461 2.782 20 0 DFADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC000345586289 428947157 /nfs/dbraw/zinc/94/71/57/428947157.db2.gz NZQJRLXMPKFLLC-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC000345586289 428947162 /nfs/dbraw/zinc/94/71/62/428947162.db2.gz NZQJRLXMPKFLLC-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1CCC[C@H](CCN2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000363615489 428955238 /nfs/dbraw/zinc/95/52/38/428955238.db2.gz JLBILFIDQWDEKV-QRVBRYPASA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1CCC[C@H](CCN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000363615489 428955242 /nfs/dbraw/zinc/95/52/42/428955242.db2.gz JLBILFIDQWDEKV-QRVBRYPASA-N 1 3 307.526 2.915 20 0 DFADHO COCCSCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000375734661 428957605 /nfs/dbraw/zinc/95/76/05/428957605.db2.gz XHOTWNLAHRZKIA-RDJZCZTQSA-N 1 3 312.523 2.705 20 0 DFADHO COCCSCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000375734661 428957610 /nfs/dbraw/zinc/95/76/10/428957610.db2.gz XHOTWNLAHRZKIA-RDJZCZTQSA-N 1 3 312.523 2.705 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000375928520 429019388 /nfs/dbraw/zinc/01/93/88/429019388.db2.gz AYRPXOWDDFYDGP-SFHVURJKSA-N 1 3 321.509 2.773 20 0 DFADHO CCO[C@@H]1COCC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000354984682 429021912 /nfs/dbraw/zinc/02/19/12/429021912.db2.gz QCOOACCCTZHYQD-DSLXNQLJSA-N 1 3 324.509 2.813 20 0 DFADHO C[C@H]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H]1O ZINC000349360866 428972752 /nfs/dbraw/zinc/97/27/52/428972752.db2.gz AYZLCGKHYWZHJV-WMZOPIPTSA-N 1 3 304.478 2.847 20 0 DFADHO C[C@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1O ZINC000349360866 428972755 /nfs/dbraw/zinc/97/27/55/428972755.db2.gz AYZLCGKHYWZHJV-WMZOPIPTSA-N 1 3 304.478 2.847 20 0 DFADHO CC[C@@H]([NH2+]CC1(N)CCN(Cc2ccccc2)CC1)C1CC1 ZINC000423578366 428974265 /nfs/dbraw/zinc/97/42/65/428974265.db2.gz UKHZBJFHYFXPEO-GOSISDBHSA-N 1 3 301.478 2.758 20 0 DFADHO CC(C)C[C@@H](C[NH2+]CC1(O)CCN(C)CC1)c1ccccc1 ZINC000354428053 428982156 /nfs/dbraw/zinc/98/21/56/428982156.db2.gz VXASNFXLCRCSPC-SFHVURJKSA-N 1 3 304.478 2.863 20 0 DFADHO Cc1ccnc(NC[C@H]2CC[N@@H+](CC[C@@H]3CCCCN3C)C2)c1 ZINC000375868824 429002628 /nfs/dbraw/zinc/00/26/28/429002628.db2.gz HAIWKCDTHTUCSA-MSOLQXFVSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1ccnc(NC[C@H]2CC[N@H+](CC[C@@H]3CCCCN3C)C2)c1 ZINC000375868824 429002632 /nfs/dbraw/zinc/00/26/32/429002632.db2.gz HAIWKCDTHTUCSA-MSOLQXFVSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1ccnc(NC[C@H]2CCN(CC[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC000375868824 429002638 /nfs/dbraw/zinc/00/26/38/429002638.db2.gz HAIWKCDTHTUCSA-MSOLQXFVSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1ccnc(NC[C@H]2CCN(CC[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000375868824 429002642 /nfs/dbraw/zinc/00/26/42/429002642.db2.gz HAIWKCDTHTUCSA-MSOLQXFVSA-N 1 3 316.493 2.998 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1 ZINC000423759965 429010658 /nfs/dbraw/zinc/01/06/58/429010658.db2.gz MMONMHVPKRLCDW-ZIAGYGMSSA-N 1 3 303.450 2.509 20 0 DFADHO C/C=C\COc1ccc(CC[C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423447758 429089773 /nfs/dbraw/zinc/08/97/73/429089773.db2.gz AFLMHCCCZKMBJK-BTAHNIKVSA-N 1 3 300.446 2.770 20 0 DFADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccncc1Cl ZINC000421838283 429037918 /nfs/dbraw/zinc/03/79/18/429037918.db2.gz VFFKWOBFSXLQLX-UONOGXRCSA-N 1 3 311.857 2.623 20 0 DFADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccncc1Cl ZINC000421838283 429037923 /nfs/dbraw/zinc/03/79/23/429037923.db2.gz VFFKWOBFSXLQLX-UONOGXRCSA-N 1 3 311.857 2.623 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1NCCCC1(C)C ZINC000423321048 429062794 /nfs/dbraw/zinc/06/27/94/429062794.db2.gz FXMSKWXDGPDQMQ-CVEARBPZSA-N 1 3 309.498 2.535 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1NCCCC1(C)C ZINC000423321048 429062796 /nfs/dbraw/zinc/06/27/96/429062796.db2.gz FXMSKWXDGPDQMQ-CVEARBPZSA-N 1 3 309.498 2.535 20 0 DFADHO C[NH+](C)C1(CNC(=O)C(C)(C)[C@H](N)c2ccccc2)CCCC1 ZINC000423313237 429063540 /nfs/dbraw/zinc/06/35/40/429063540.db2.gz WOWZYWZEJNCKAW-MRXNPFEDSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)N1CCCC[C@H]1C ZINC000423335068 429067766 /nfs/dbraw/zinc/06/77/66/429067766.db2.gz TXRUFKSOQUDGII-KFWWJZLASA-N 1 3 303.450 2.699 20 0 DFADHO C[C@@H]1C[C@@H](NC[C@@]2(C)CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000423343623 429070207 /nfs/dbraw/zinc/07/02/07/429070207.db2.gz XACXHDQBMOOVMV-QRQLOZEOSA-N 1 3 301.478 2.629 20 0 DFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2C[C@H](C)CCN2)c1 ZINC000423370825 429073847 /nfs/dbraw/zinc/07/38/47/429073847.db2.gz UQIATCZPQCPPMU-CRAIPNDOSA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2C[C@H](C)CCN2)c1 ZINC000423370825 429073852 /nfs/dbraw/zinc/07/38/52/429073852.db2.gz UQIATCZPQCPPMU-CRAIPNDOSA-N 1 3 317.477 2.531 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000423368743 429074334 /nfs/dbraw/zinc/07/43/34/429074334.db2.gz FLSDVUBLWLPPMX-QLFBSQMISA-N 1 3 303.450 2.699 20 0 DFADHO Cc1ccc([C@H](CCn2cncn2)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423382964 429076760 /nfs/dbraw/zinc/07/67/60/429076760.db2.gz KCPWNTDBYWJFFE-KSZLIROESA-N 1 3 313.449 2.577 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423391285 429078412 /nfs/dbraw/zinc/07/84/12/429078412.db2.gz KQVRCBCNZTUGRS-IDCJVQTKSA-N 1 3 306.425 2.881 20 0 DFADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000423397465 429078658 /nfs/dbraw/zinc/07/86/58/429078658.db2.gz SXHXEBNFHGSGPO-IMJJTQAJSA-N 1 3 301.434 2.734 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)c(C)c1OC ZINC000423394647 429079992 /nfs/dbraw/zinc/07/99/92/429079992.db2.gz MVUMARRJPWMWEJ-HEHGZKQESA-N 1 3 306.450 2.531 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CC[NH2+]C[C@@H]2C)c(C)c1OC ZINC000423394647 429079996 /nfs/dbraw/zinc/07/99/96/429079996.db2.gz MVUMARRJPWMWEJ-HEHGZKQESA-N 1 3 306.450 2.531 20 0 DFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423410922 429083190 /nfs/dbraw/zinc/08/31/90/429083190.db2.gz DVYKARLIGZAJPP-ZACQAIPSSA-N 1 3 317.477 2.702 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@H]1CC1(C)C ZINC000487309647 429150695 /nfs/dbraw/zinc/15/06/95/429150695.db2.gz LEQCDIDLTBMSPM-RHSMWYFYSA-N 1 3 317.477 2.502 20 0 DFADHO CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@H]1CCN(C2CC2)C1 ZINC000424141366 429098263 /nfs/dbraw/zinc/09/82/63/429098263.db2.gz CKNXYJYJXRAVNG-AEFFLSMTSA-N 1 3 321.509 2.759 20 0 DFADHO CCN(C(=O)CC[C@H](C)[NH3+])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000434685994 429104808 /nfs/dbraw/zinc/10/48/08/429104808.db2.gz SMRRMUQGFDIGTG-JZXOWHBKSA-N 1 3 317.477 2.798 20 0 DFADHO CC1(C)[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)[C@@H]2CCCO[C@H]21 ZINC000423521170 429108296 /nfs/dbraw/zinc/10/82/96/429108296.db2.gz FYBHTDBQWUFMOA-WGRWJZCPSA-N 1 3 318.505 2.933 20 0 DFADHO CC1(C)[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H]2CCCO[C@H]21 ZINC000423521170 429108298 /nfs/dbraw/zinc/10/82/98/429108298.db2.gz FYBHTDBQWUFMOA-WGRWJZCPSA-N 1 3 318.505 2.933 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CNC[C@H]1c1ccccc1)CC2 ZINC000423531477 429110314 /nfs/dbraw/zinc/11/03/14/429110314.db2.gz QLNGZBNJFXRKJV-HLAWJBBLSA-N 1 3 322.452 2.898 20 0 DFADHO COC(=O)c1cc2cc(C[NH2+][C@@H]3CCCC[C@H]3N)ccc2o1 ZINC000424284122 429119063 /nfs/dbraw/zinc/11/90/63/429119063.db2.gz COQOWTXEVCEZRU-ZIAGYGMSSA-N 1 3 302.374 2.579 20 0 DFADHO C[C@H]1CC2(CN1CC(=O)NCCC1CCCCC1)CC[NH2+]CC2 ZINC000424284120 429120065 /nfs/dbraw/zinc/12/00/65/429120065.db2.gz CONCCYLTNHRGEW-INIZCTEOSA-N 1 3 321.509 2.537 20 0 DFADHO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](CN)c1ccc(F)cc1 ZINC000424308138 429125114 /nfs/dbraw/zinc/12/51/14/429125114.db2.gz ZFVUDNOVGZIJID-AEFFLSMTSA-N 1 3 316.424 2.538 20 0 DFADHO Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H](CN)c1ccc(F)cc1 ZINC000424308138 429125120 /nfs/dbraw/zinc/12/51/20/429125120.db2.gz ZFVUDNOVGZIJID-AEFFLSMTSA-N 1 3 316.424 2.538 20 0 DFADHO Cc1nccn1C[C@@H]1CCCN1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424308138 429125124 /nfs/dbraw/zinc/12/51/24/429125124.db2.gz ZFVUDNOVGZIJID-AEFFLSMTSA-N 1 3 316.424 2.538 20 0 DFADHO CN1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)Cc2ccccc21 ZINC000424307462 429125430 /nfs/dbraw/zinc/12/54/30/429125430.db2.gz XPLUWLIMLCEWKT-QGZVFWFLSA-N 1 3 313.420 2.820 20 0 DFADHO CN1CC[N@H+](C[C@@H](CN)c2ccc(F)cc2)Cc2ccccc21 ZINC000424307462 429125432 /nfs/dbraw/zinc/12/54/32/429125432.db2.gz XPLUWLIMLCEWKT-QGZVFWFLSA-N 1 3 313.420 2.820 20 0 DFADHO CN1CC[N@@H+](C[C@@H](CN)c2ccc(F)cc2)Cc2ccccc21 ZINC000424307462 429125437 /nfs/dbraw/zinc/12/54/37/429125437.db2.gz XPLUWLIMLCEWKT-QGZVFWFLSA-N 1 3 313.420 2.820 20 0 DFADHO [NH3+][C@@H]1CCCC[C@H]1NCCCc1nc(-c2cccs2)no1 ZINC000424331285 429127919 /nfs/dbraw/zinc/12/79/19/429127919.db2.gz JLNDFYUDGMMMMN-VXGBXAGGSA-N 1 3 306.435 2.590 20 0 DFADHO N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000424334150 429128856 /nfs/dbraw/zinc/12/88/56/429128856.db2.gz NDIAQWHPEXGIKA-ZIAGYGMSSA-N 1 3 313.239 2.687 20 0 DFADHO COc1ccc(OC)c(CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424373490 429131785 /nfs/dbraw/zinc/13/17/85/429131785.db2.gz HDFKNXSJKZBLDV-CQSZACIVSA-N 1 3 304.434 2.668 20 0 DFADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(OCc2ccccn2)cc1 ZINC000435374241 429132688 /nfs/dbraw/zinc/13/26/88/429132688.db2.gz XBYPAMMJTSUMQY-DOTOQJQBSA-N 1 3 311.429 2.830 20 0 DFADHO C[C@H]1CC2(CN1Cc1cccc3c1OCCCO3)CC[NH2+]CC2 ZINC000424385088 429132857 /nfs/dbraw/zinc/13/28/57/429132857.db2.gz VVOXKNDKGOETEA-HNNXBMFYSA-N 1 3 316.445 2.812 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363918572 429138944 /nfs/dbraw/zinc/13/89/44/429138944.db2.gz CZJIQDQEQHCVKD-XOKHGSTOSA-N 1 3 319.424 2.759 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363918572 429138946 /nfs/dbraw/zinc/13/89/46/429138946.db2.gz CZJIQDQEQHCVKD-XOKHGSTOSA-N 1 3 319.424 2.759 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000424440532 429141422 /nfs/dbraw/zinc/14/14/22/429141422.db2.gz UVCHIILLUIILAN-UHFFFAOYSA-N 1 3 318.465 2.696 20 0 DFADHO CC[C@@H](F)CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000440792138 429228416 /nfs/dbraw/zinc/22/84/16/429228416.db2.gz QQDAPLLLSVDBEQ-QGZVFWFLSA-N 1 3 313.505 2.863 20 0 DFADHO CC[NH+]1CCC(N(C)CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495392301 429205626 /nfs/dbraw/zinc/20/56/26/429205626.db2.gz ATKXASJEGNNIRF-UHFFFAOYSA-N 1 3 313.486 2.706 20 0 DFADHO CC(C)N(C)c1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cn1 ZINC000365250639 429286015 /nfs/dbraw/zinc/28/60/15/429286015.db2.gz AJOYNBPPRDPWFN-UHFFFAOYSA-N 1 3 316.493 2.986 20 0 DFADHO CC(C)N(C)c1ccc(C[N@H+]2CCCC23CCN(C)CC3)cn1 ZINC000365250639 429286020 /nfs/dbraw/zinc/28/60/20/429286020.db2.gz AJOYNBPPRDPWFN-UHFFFAOYSA-N 1 3 316.493 2.986 20 0 DFADHO CCN(CC)CCC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495734077 429256377 /nfs/dbraw/zinc/25/63/77/429256377.db2.gz KEKZMSWDQAYTDH-AWEZNQCLSA-N 1 3 313.486 2.563 20 0 DFADHO CC[C@H]([NH3+])C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccc(Cl)c1 ZINC000364851142 429267951 /nfs/dbraw/zinc/26/79/51/429267951.db2.gz OIHUUQFVYHIKCM-KBMXLJTQSA-N 1 3 323.868 2.576 20 0 DFADHO C[C@@H](NC1CC1)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000449094994 429331695 /nfs/dbraw/zinc/33/16/95/429331695.db2.gz VKXBMHHCIPQAEP-OAHLLOKOSA-N 1 3 315.461 2.998 20 0 DFADHO O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CCCN1C1CCCC1 ZINC000456684291 429337436 /nfs/dbraw/zinc/33/74/36/429337436.db2.gz NJZPMBQGXHGAQJ-GOSISDBHSA-N 1 3 319.493 2.527 20 0 DFADHO CCC[C@@H](O)CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449142685 429342769 /nfs/dbraw/zinc/34/27/69/429342769.db2.gz GNHZIMCUROKIGB-QFBILLFUSA-N 1 3 304.478 2.833 20 0 DFADHO CC(C)(C)[C@H]1C[C@H](NCc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425894418 429349732 /nfs/dbraw/zinc/34/97/32/429349732.db2.gz GMWUIGZXWZKVIL-RHSMWYFYSA-N 1 3 321.465 2.825 20 0 DFADHO COCC1(CNCc2cc(C3CC[NH2+]CC3)no2)CCCCC1 ZINC000425897403 429351715 /nfs/dbraw/zinc/35/17/15/429351715.db2.gz UDZSMNMHQVDFGX-UHFFFAOYSA-N 1 3 321.465 2.828 20 0 DFADHO C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)CN(C)C ZINC000425928383 429353169 /nfs/dbraw/zinc/35/31/69/429353169.db2.gz VHXJBYPSSQKAJB-OHSMVPPVSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(N2CCCC2=O)c1 ZINC000425951321 429353392 /nfs/dbraw/zinc/35/33/92/429353392.db2.gz MMDBPBMAOJCWFS-LSDHHAIUSA-N 1 3 303.450 2.662 20 0 DFADHO C[C@@H](C[NH2+]CC(C)(C)CN(C)Cc1ccccc1)CN(C)C ZINC000491588793 429377494 /nfs/dbraw/zinc/37/74/94/429377494.db2.gz LLXPYWZJDPEXLX-KRWDZBQOSA-N 1 3 305.510 2.932 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCc2cn[nH]c2)CC1 ZINC000449335789 429389917 /nfs/dbraw/zinc/38/99/17/429389917.db2.gz LUYBYPRCBOQTFB-INIZCTEOSA-N 1 3 312.461 2.637 20 0 DFADHO CC1CCC([NH+]2CCC(N(C)C(=O)C3(N)CCCC3)CC2)CC1 ZINC000366320949 429447344 /nfs/dbraw/zinc/44/73/44/429447344.db2.gz FVYUQOQJDZETMF-UHFFFAOYSA-N 1 3 321.509 2.759 20 0 DFADHO NC1(C(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC000366350068 429448847 /nfs/dbraw/zinc/44/88/47/429448847.db2.gz YYHPAJDUVYVBIJ-HNNXBMFYSA-N 1 3 307.482 2.561 20 0 DFADHO NC1(C(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC000366350068 429448850 /nfs/dbraw/zinc/44/88/50/429448850.db2.gz YYHPAJDUVYVBIJ-HNNXBMFYSA-N 1 3 307.482 2.561 20 0 DFADHO Cc1nccc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000366455011 429457079 /nfs/dbraw/zinc/45/70/79/429457079.db2.gz DUWVGSNHXWDQSJ-UHFFFAOYSA-N 1 3 311.433 2.528 20 0 DFADHO C(CC12CC3CC(CC(C3)C1)C2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261626195 275722260 /nfs/dbraw/zinc/72/22/60/275722260.db2.gz CPMWAHCZFHTAMD-NRFBVMONSA-N 1 3 317.521 2.572 20 0 DFADHO c1ccc2c(c1)CCN2CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000428468635 429528001 /nfs/dbraw/zinc/52/80/01/429528001.db2.gz PFXJOYVLOJLJAB-UHFFFAOYSA-N 1 3 313.489 2.857 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCn4ccnc4C3)CC2)C1 ZINC000427873920 429475493 /nfs/dbraw/zinc/47/54/93/429475493.db2.gz LZGMSKFDTNXACO-KBAYOESNSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCn4ccnc4C3)CC2)C1 ZINC000427873920 429475498 /nfs/dbraw/zinc/47/54/98/429475498.db2.gz LZGMSKFDTNXACO-KBAYOESNSA-N 1 3 316.493 2.831 20 0 DFADHO O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000449735021 429491005 /nfs/dbraw/zinc/49/10/05/429491005.db2.gz FPXBIJQOPIUBCJ-CENDIDJXSA-N 1 3 314.473 2.648 20 0 DFADHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C1CCC1 ZINC000449738993 429493264 /nfs/dbraw/zinc/49/32/64/429493264.db2.gz HSLPLJHOUAHXJJ-IYWMVGAKSA-N 1 3 314.473 2.648 20 0 DFADHO CN(CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000520400783 429512956 /nfs/dbraw/zinc/51/29/56/429512956.db2.gz RRXVKOZOGYNLDF-IEBWSBKVSA-N 1 3 301.478 2.929 20 0 DFADHO CN(CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000520400783 429512961 /nfs/dbraw/zinc/51/29/61/429512961.db2.gz RRXVKOZOGYNLDF-IEBWSBKVSA-N 1 3 301.478 2.929 20 0 DFADHO CN(CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000520400783 429512967 /nfs/dbraw/zinc/51/29/67/429512967.db2.gz RRXVKOZOGYNLDF-IEBWSBKVSA-N 1 3 301.478 2.929 20 0 DFADHO CN(CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000520400783 429512974 /nfs/dbraw/zinc/51/29/74/429512974.db2.gz RRXVKOZOGYNLDF-IEBWSBKVSA-N 1 3 301.478 2.929 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)Nc2ccccc2CN(C)C)CC1 ZINC000520472512 429517062 /nfs/dbraw/zinc/51/70/62/429517062.db2.gz GZTYASIDMXARSL-UHFFFAOYSA-N 1 3 303.450 2.807 20 0 DFADHO Cc1cc(C)cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000367032536 429561605 /nfs/dbraw/zinc/56/16/05/429561605.db2.gz ZWYZTBIUHDXZQA-AZUAARDMSA-N 1 3 315.505 2.761 20 0 DFADHO C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCN(C2CC2)C1 ZINC000521972465 429572677 /nfs/dbraw/zinc/57/26/77/429572677.db2.gz ZCQRYFPBJAEEHZ-INIZCTEOSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CCN(C2CC2)C1 ZINC000521972465 429572679 /nfs/dbraw/zinc/57/26/79/429572679.db2.gz ZCQRYFPBJAEEHZ-INIZCTEOSA-N 1 3 321.509 2.584 20 0 DFADHO CC[C@H]1CCCCN1C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000366885245 429533330 /nfs/dbraw/zinc/53/33/30/429533330.db2.gz PPDHOSWGICBHCX-KRWDZBQOSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@@H](NC1CC1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000521252595 429545698 /nfs/dbraw/zinc/54/56/98/429545698.db2.gz KSKOELNWBDMTDK-HZPDHXFCSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H](NC1CC1)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000521252595 429545703 /nfs/dbraw/zinc/54/57/03/429545703.db2.gz KSKOELNWBDMTDK-HZPDHXFCSA-N 1 3 321.509 2.630 20 0 DFADHO CN(CCN1CC[C@H](C[NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000450438277 429626682 /nfs/dbraw/zinc/62/66/82/429626682.db2.gz LTAGQIHZKXABAQ-HXUWFJFHSA-N 1 3 315.505 2.926 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000450466241 429633357 /nfs/dbraw/zinc/63/33/57/429633357.db2.gz IJLUKKSEUOCIBF-CAMMJAKZSA-N 1 3 304.478 2.956 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000450466241 429633359 /nfs/dbraw/zinc/63/33/59/429633359.db2.gz IJLUKKSEUOCIBF-CAMMJAKZSA-N 1 3 304.478 2.956 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)[C@@H](C)c2ccccc2)C[C@H]1C ZINC000450466244 429633459 /nfs/dbraw/zinc/63/34/59/429633459.db2.gz IJLUKKSEUOCIBF-NEPXVJNWSA-N 1 3 304.478 2.956 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)[C@@H](C)c2ccccc2)C[C@H]1C ZINC000450466244 429633461 /nfs/dbraw/zinc/63/34/61/429633461.db2.gz IJLUKKSEUOCIBF-NEPXVJNWSA-N 1 3 304.478 2.956 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCN(C)Cc2ccccc2)C[C@@H]1C ZINC000450465275 429633478 /nfs/dbraw/zinc/63/34/78/429633478.db2.gz DUYGNCQERDBMGW-PKOBYXMFSA-N 1 3 303.494 2.923 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCN(C)Cc2ccccc2)C[C@@H]1C ZINC000450465275 429633479 /nfs/dbraw/zinc/63/34/79/429633479.db2.gz DUYGNCQERDBMGW-PKOBYXMFSA-N 1 3 303.494 2.923 20 0 DFADHO CCN1CC[C@H]([N@H+](C)CCN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000450557928 429648424 /nfs/dbraw/zinc/64/84/24/429648424.db2.gz DHUNHPYLHMIWRR-HKUYNNGSSA-N 1 3 303.494 2.781 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)CCN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000450557928 429648430 /nfs/dbraw/zinc/64/84/30/429648430.db2.gz DHUNHPYLHMIWRR-HKUYNNGSSA-N 1 3 303.494 2.781 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)CCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000450557932 429648469 /nfs/dbraw/zinc/64/84/69/429648469.db2.gz DHUNHPYLHMIWRR-IEBWSBKVSA-N 1 3 303.494 2.781 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)CCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000450557932 429648473 /nfs/dbraw/zinc/64/84/73/429648473.db2.gz DHUNHPYLHMIWRR-IEBWSBKVSA-N 1 3 303.494 2.781 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000523115933 429601557 /nfs/dbraw/zinc/60/15/57/429601557.db2.gz GAPDUMYSBYNUCQ-ULQDDVLXSA-N 1 3 323.525 2.827 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000523115933 429601562 /nfs/dbraw/zinc/60/15/62/429601562.db2.gz GAPDUMYSBYNUCQ-ULQDDVLXSA-N 1 3 323.525 2.827 20 0 DFADHO C[N@@H+](CC1CCC(=O)CC1)CC1CCN(c2ccncc2)CC1 ZINC000450647739 429670147 /nfs/dbraw/zinc/67/01/47/429670147.db2.gz XJMOVCXASJCKBX-UHFFFAOYSA-N 1 3 315.461 2.989 20 0 DFADHO C[N@H+](CC1CCC(=O)CC1)CC1CCN(c2ccncc2)CC1 ZINC000450647739 429670152 /nfs/dbraw/zinc/67/01/52/429670152.db2.gz XJMOVCXASJCKBX-UHFFFAOYSA-N 1 3 315.461 2.989 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000525752071 429670789 /nfs/dbraw/zinc/67/07/89/429670789.db2.gz NYGIYERXXZDHNW-QGZVFWFLSA-N 1 3 323.525 2.830 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000525752071 429670792 /nfs/dbraw/zinc/67/07/92/429670792.db2.gz NYGIYERXXZDHNW-QGZVFWFLSA-N 1 3 323.525 2.830 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)C1 ZINC000236901265 276106022 /nfs/dbraw/zinc/10/60/22/276106022.db2.gz SGGNMIWEAQJSHN-SOLBZPMBSA-N 1 3 317.477 2.513 20 0 DFADHO CCN1CCN(c2ccccc2C[NH+]2C[C@H](C)[C@@H](C)C2)CC1 ZINC000353884918 276203623 /nfs/dbraw/zinc/20/36/23/276203623.db2.gz ZDANZVMCJIHFHQ-IRXDYDNUSA-N 1 3 301.478 2.916 20 0 DFADHO CCC[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000158046928 276281658 /nfs/dbraw/zinc/28/16/58/276281658.db2.gz NZKQYCIQSSWZJA-RCCFBDPRSA-N 1 3 323.525 2.830 20 0 DFADHO CCC[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000158046928 276281660 /nfs/dbraw/zinc/28/16/60/276281660.db2.gz NZKQYCIQSSWZJA-RCCFBDPRSA-N 1 3 323.525 2.830 20 0 DFADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCn1nc(C)cc1C ZINC000450763120 429692859 /nfs/dbraw/zinc/69/28/59/429692859.db2.gz SZJKMPOXSIBNMR-MSOLQXFVSA-N 1 3 306.498 2.990 20 0 DFADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCn1nc(C)cc1C ZINC000450763120 429692865 /nfs/dbraw/zinc/69/28/65/429692865.db2.gz SZJKMPOXSIBNMR-MSOLQXFVSA-N 1 3 306.498 2.990 20 0 DFADHO CCN1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC000079905476 276359502 /nfs/dbraw/zinc/35/95/02/276359502.db2.gz YJWUXTIOQOTUNO-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO CCN1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC000079905476 276359503 /nfs/dbraw/zinc/35/95/03/276359503.db2.gz YJWUXTIOQOTUNO-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO CC(C)CCN(CCC(C)C)C(=O)CN1CCC(C[NH3+])CC1 ZINC000430610486 429701402 /nfs/dbraw/zinc/70/14/02/429701402.db2.gz KUTONKXDLAFAEL-UHFFFAOYSA-N 1 3 311.514 2.578 20 0 DFADHO [NH3+]C[C@@H]1CCCN(CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430632064 429703220 /nfs/dbraw/zinc/70/32/20/429703220.db2.gz WMEQLESYRJQHGT-HNNXBMFYSA-N 1 3 311.429 2.839 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCC2(O)CCOCC2)CC1 ZINC000367711029 429705036 /nfs/dbraw/zinc/70/50/36/429705036.db2.gz ZZBQNQZERPTODL-SJLPKXTDSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CCC2(O)CCOCC2)CC1 ZINC000367711029 429705042 /nfs/dbraw/zinc/70/50/42/429705042.db2.gz ZZBQNQZERPTODL-SJLPKXTDSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCC2(O)CCOCC2)CC1 ZINC000367711030 429705485 /nfs/dbraw/zinc/70/54/85/429705485.db2.gz ZZBQNQZERPTODL-WMZOPIPTSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CCC2(O)CCOCC2)CC1 ZINC000367711030 429705488 /nfs/dbraw/zinc/70/54/88/429705488.db2.gz ZZBQNQZERPTODL-WMZOPIPTSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@@H](CNC(=O)[C@@H](C)[C@H](N)c1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000430748241 429713950 /nfs/dbraw/zinc/71/39/50/429713950.db2.gz PNUOWNIULKBGAC-OVWQWFNUSA-N 1 3 317.477 2.702 20 0 DFADHO C[C@@H](CNC(=O)[C@@H](C)[C@H](N)c1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000430748241 429713954 /nfs/dbraw/zinc/71/39/54/429713954.db2.gz PNUOWNIULKBGAC-OVWQWFNUSA-N 1 3 317.477 2.702 20 0 DFADHO CCC(CC)(CNC(=O)[C@H](N)C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000430734302 429713974 /nfs/dbraw/zinc/71/39/74/429713974.db2.gz LVLGCCLBEMSLRK-DOTOQJQBSA-N 1 3 319.493 2.996 20 0 DFADHO CN(C)CCOC1CC[NH+](CCSCc2ccccc2)CC1 ZINC000430759955 429715010 /nfs/dbraw/zinc/71/50/10/429715010.db2.gz HRLJWWKVZCHCBM-UHFFFAOYSA-N 1 3 322.518 2.962 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000431062427 429738129 /nfs/dbraw/zinc/73/81/29/429738129.db2.gz QCTLHQKCCFCFNS-WBVHZDCISA-N 1 3 315.461 2.600 20 0 DFADHO C[C@@H](c1ccccc1)[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450984590 429744292 /nfs/dbraw/zinc/74/42/92/429744292.db2.gz WWXJMWSKFXTYLC-KEVQOFRZSA-N 1 3 302.462 2.708 20 0 DFADHO C[C@@H](c1ccccc1)[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450984590 429744298 /nfs/dbraw/zinc/74/42/98/429744298.db2.gz WWXJMWSKFXTYLC-KEVQOFRZSA-N 1 3 302.462 2.708 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432093046 429801670 /nfs/dbraw/zinc/80/16/70/429801670.db2.gz ZYHGJNSRHMPBLJ-IAGOWNOFSA-N 1 3 316.493 2.883 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432093046 429801674 /nfs/dbraw/zinc/80/16/74/429801674.db2.gz ZYHGJNSRHMPBLJ-IAGOWNOFSA-N 1 3 316.493 2.883 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432093046 429801676 /nfs/dbraw/zinc/80/16/76/429801676.db2.gz ZYHGJNSRHMPBLJ-IAGOWNOFSA-N 1 3 316.493 2.883 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432093046 429801679 /nfs/dbraw/zinc/80/16/79/429801679.db2.gz ZYHGJNSRHMPBLJ-IAGOWNOFSA-N 1 3 316.493 2.883 20 0 DFADHO CC(C)C[C@]1(C)CCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000451293980 429805199 /nfs/dbraw/zinc/80/51/99/429805199.db2.gz XFDMZMYRONMMQC-IBGZPJMESA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)C[C@]1(C)CCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000451293980 429805206 /nfs/dbraw/zinc/80/52/06/429805206.db2.gz XFDMZMYRONMMQC-IBGZPJMESA-N 1 3 321.509 2.630 20 0 DFADHO Cc1cc(/C=C\C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)ccc1F ZINC000493507993 429777362 /nfs/dbraw/zinc/77/73/62/429777362.db2.gz BHXVHWLUIANJQM-FMQFUMSTSA-N 1 3 302.393 2.842 20 0 DFADHO Cc1cc(/C=C\C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)ccc1F ZINC000493507993 429777365 /nfs/dbraw/zinc/77/73/65/429777365.db2.gz BHXVHWLUIANJQM-FMQFUMSTSA-N 1 3 302.393 2.842 20 0 DFADHO C[NH+](C)CCOc1cc(CNCc2ccc3cc[nH]c3c2)ccn1 ZINC000527689212 429780095 /nfs/dbraw/zinc/78/00/95/429780095.db2.gz WMXTXXSHWAVNLQ-UHFFFAOYSA-N 1 3 324.428 2.793 20 0 DFADHO C[C@@H]1CCCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000431749387 429780313 /nfs/dbraw/zinc/78/03/13/429780313.db2.gz KVAHYJPDPSOMTO-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1CCCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000431749387 429780315 /nfs/dbraw/zinc/78/03/15/429780315.db2.gz KVAHYJPDPSOMTO-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CCN1C ZINC000431861777 429786872 /nfs/dbraw/zinc/78/68/72/429786872.db2.gz VZMSAXCPJFUKPU-NXHRZFHOSA-N 1 3 317.477 2.621 20 0 DFADHO COc1cccc([C@H](CNC2CC[NH+](C3CC3)CC2)OC)c1 ZINC000527931917 429822603 /nfs/dbraw/zinc/82/26/03/429822603.db2.gz XCERNBROPSFGSQ-SFHVURJKSA-N 1 3 304.434 2.599 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@]2(C)COc3ccccc3O2)[C@@H]2CCC[C@H]21 ZINC000527935538 429823380 /nfs/dbraw/zinc/82/33/80/429823380.db2.gz ZWIMAWLIZAPSOV-YIOZNXECSA-N 1 3 316.445 2.679 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@]2(C)COc3ccccc3O2)[C@@H]2CCC[C@H]21 ZINC000527935538 429823381 /nfs/dbraw/zinc/82/33/81/429823381.db2.gz ZWIMAWLIZAPSOV-YIOZNXECSA-N 1 3 316.445 2.679 20 0 DFADHO Cc1ncc(CN2CC[C@@H](Nc3cc[nH+]c(C)c3)[C@H](C)C2)s1 ZINC000368410507 429844480 /nfs/dbraw/zinc/84/44/80/429844480.db2.gz LLRZNCGUDBKVKF-SJKOYZFVSA-N 1 3 316.474 2.899 20 0 DFADHO Cc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc2n1 ZINC000432866522 429845850 /nfs/dbraw/zinc/84/58/50/429845850.db2.gz LVDGJTHCCDEUST-MRXNPFEDSA-N 1 3 313.445 2.878 20 0 DFADHO Cc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)c2ccccc2n1 ZINC000432866522 429845855 /nfs/dbraw/zinc/84/58/55/429845855.db2.gz LVDGJTHCCDEUST-MRXNPFEDSA-N 1 3 313.445 2.878 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528399053 429884889 /nfs/dbraw/zinc/88/48/89/429884889.db2.gz QXWITSIBNIGACW-SJLPKXTDSA-N 1 3 308.441 2.657 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528399053 429884891 /nfs/dbraw/zinc/88/48/91/429884891.db2.gz QXWITSIBNIGACW-SJLPKXTDSA-N 1 3 308.441 2.657 20 0 DFADHO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC1=CCN(C)CC1 ZINC000494418801 429871149 /nfs/dbraw/zinc/87/11/49/429871149.db2.gz QXRUQZYYQPEWPQ-KGLIPLIRSA-N 1 3 311.470 2.530 20 0 DFADHO Fc1cncc(C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000494468130 429875309 /nfs/dbraw/zinc/87/53/09/429875309.db2.gz IHQRWMUUNVHAIJ-UHFFFAOYSA-N 1 3 300.381 2.622 20 0 DFADHO CN(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000573674923 429971699 /nfs/dbraw/zinc/97/16/99/429971699.db2.gz NPJAFGRNVODBTF-WFVVYAPDSA-N 1 3 307.869 2.815 20 0 DFADHO CO[C@@H](C[N@@H+]1CCCN(c2ccncc2)CC1)C1CCCC1 ZINC000639683687 429947273 /nfs/dbraw/zinc/94/72/73/429947273.db2.gz LQHMMABBBHUESS-SFHVURJKSA-N 1 3 303.450 2.799 20 0 DFADHO CO[C@@H](C[N@H+]1CCCN(c2ccncc2)CC1)C1CCCC1 ZINC000639683687 429947276 /nfs/dbraw/zinc/94/72/76/429947276.db2.gz LQHMMABBBHUESS-SFHVURJKSA-N 1 3 303.450 2.799 20 0 DFADHO COCCN(C)CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000574415139 430039957 /nfs/dbraw/zinc/03/99/57/430039957.db2.gz SYQLFIOYRAXBRH-QYZOEREBSA-N 1 3 319.493 2.556 20 0 DFADHO c1nc([C@@H](NCC2CC[NH+](C3CC3)CC2)C2CCCCC2)n[nH]1 ZINC000559111668 429998783 /nfs/dbraw/zinc/99/87/83/429998783.db2.gz HHAZNYMFPJQSSZ-KRWDZBQOSA-N 1 3 317.481 2.890 20 0 DFADHO O[C@]1(CN2CCCC(F)(F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639889672 430013634 /nfs/dbraw/zinc/01/36/34/430013634.db2.gz HDSCZRPNUTZTGF-KRWDZBQOSA-N 1 3 324.415 2.745 20 0 DFADHO O[C@]1(CN2CCCC(F)(F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639889672 430013636 /nfs/dbraw/zinc/01/36/36/430013636.db2.gz HDSCZRPNUTZTGF-KRWDZBQOSA-N 1 3 324.415 2.745 20 0 DFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CC(F)(F)C1 ZINC000529540060 430023371 /nfs/dbraw/zinc/02/33/71/430023371.db2.gz DSXVASAKTWVHIO-DYVFJYSZSA-N 1 3 324.415 2.777 20 0 DFADHO CC1(C)CNCC[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000634733667 430092649 /nfs/dbraw/zinc/09/26/49/430092649.db2.gz KVHAMRIHXANNJZ-KRWDZBQOSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734007 430092943 /nfs/dbraw/zinc/09/29/43/430092943.db2.gz UNZNLJFJRLSQHZ-XJKSGUPXSA-N 1 3 321.440 2.911 20 0 DFADHO C[C@@H](CN(CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)CO)c1ccccc1 ZINC000561916423 430103357 /nfs/dbraw/zinc/10/33/57/430103357.db2.gz AKHRWUIXMYXYRM-LNLFQRSKSA-N 1 3 304.478 2.957 20 0 DFADHO C[C@@H](CN(CC[C@@H]1CCC[N@H+]1C)[C@@H](C)CO)c1ccccc1 ZINC000561916423 430103361 /nfs/dbraw/zinc/10/33/61/430103361.db2.gz AKHRWUIXMYXYRM-LNLFQRSKSA-N 1 3 304.478 2.957 20 0 DFADHO Cc1nn(C)c2sc([C@@H](C)NC[C@H]3CCC[N@H+](C)C3)cc12 ZINC000562042113 430107398 /nfs/dbraw/zinc/10/73/98/430107398.db2.gz UKRYOXXERPAUAH-CHWSQXEVSA-N 1 3 306.479 2.936 20 0 DFADHO Cc1nn(C)c2sc([C@@H](C)NC[C@H]3CCC[N@@H+](C)C3)cc12 ZINC000562042113 430107400 /nfs/dbraw/zinc/10/74/00/430107400.db2.gz UKRYOXXERPAUAH-CHWSQXEVSA-N 1 3 306.479 2.936 20 0 DFADHO FC(F)(F)CCCCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240525 430107508 /nfs/dbraw/zinc/10/75/08/430107508.db2.gz MSJJFLWEDCBVFY-AWEZNQCLSA-N 1 3 308.388 2.810 20 0 DFADHO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(OCCN(C)C)cc1 ZINC000560908031 430070494 /nfs/dbraw/zinc/07/04/94/430070494.db2.gz HCSHMDQYWWBFFJ-DJIMGWMZSA-N 1 3 306.450 2.581 20 0 DFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000634680147 430075821 /nfs/dbraw/zinc/07/58/21/430075821.db2.gz LWFQAUSMENTEBJ-QGZVFWFLSA-N 1 3 320.477 2.717 20 0 DFADHO COc1ccc(CCC[NH2+][C@H](C)[C@@H]2CCCNC2)cc1OC ZINC000562747978 430176487 /nfs/dbraw/zinc/17/64/87/430176487.db2.gz DQSVQSRGVRJBIC-GDBMZVCRSA-N 1 3 306.450 2.614 20 0 DFADHO CC(=O)NC1CCC([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000161857336 277024760 /nfs/dbraw/zinc/02/47/60/277024760.db2.gz HNXSGCRFZLOQMR-WSDZMALLSA-N 1 3 321.509 2.676 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000360420288 277077882 /nfs/dbraw/zinc/07/78/82/277077882.db2.gz WBQIAJDGQQXJAJ-KRWDZBQOSA-N 1 3 300.446 2.992 20 0 DFADHO C[C@H]1CN(Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000634998447 430188816 /nfs/dbraw/zinc/18/88/16/430188816.db2.gz FTIYNAFLXIAPIT-AAEUAGOBSA-N 1 3 304.825 2.757 20 0 DFADHO C[C@H]1CN(Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000634998449 430189454 /nfs/dbraw/zinc/18/94/54/430189454.db2.gz FTIYNAFLXIAPIT-WCQYABFASA-N 1 3 304.825 2.757 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc(-n3cccn3)cc2)[C@@H]2CCC[C@H]21 ZINC000367638984 277172355 /nfs/dbraw/zinc/17/23/55/277172355.db2.gz SLIVCHSJKIQJJL-GBESFXJTSA-N 1 3 310.445 2.835 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc(-n3cccn3)cc2)[C@@H]2CCC[C@H]21 ZINC000367638984 277172356 /nfs/dbraw/zinc/17/23/56/277172356.db2.gz SLIVCHSJKIQJJL-GBESFXJTSA-N 1 3 310.445 2.835 20 0 DFADHO CC[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(F)cn1 ZINC000635010339 430195574 /nfs/dbraw/zinc/19/55/74/430195574.db2.gz SHFNUGUTTRNEGD-OAHLLOKOSA-N 1 3 315.396 2.589 20 0 DFADHO COc1ccc2c(c1)[C@H](Nc1cc(N3CCNCC3)cc[nH+]1)CC2 ZINC000635009446 430195899 /nfs/dbraw/zinc/19/58/99/430195899.db2.gz NGCQKZHXYYQIJN-GOSISDBHSA-N 1 3 324.428 2.599 20 0 DFADHO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cccc3c2CCNC3)C12CCC2 ZINC000635008639 430196199 /nfs/dbraw/zinc/19/61/99/430196199.db2.gz FYCOSDUIWPVWQI-DOPJRALCSA-N 1 3 300.446 2.626 20 0 DFADHO CCC[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccnc1 ZINC000635008341 430196424 /nfs/dbraw/zinc/19/64/24/430196424.db2.gz JCUSBESLOVBARM-KRWDZBQOSA-N 1 3 311.433 2.840 20 0 DFADHO Oc1ccc2c(c1)[C@@H](Nc1cc(N3CCNCC3)cc[nH+]1)CCC2 ZINC000635011295 430196699 /nfs/dbraw/zinc/19/66/99/430196699.db2.gz YWMCLKAEYXZMAY-SFHVURJKSA-N 1 3 324.428 2.686 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000635013104 430197821 /nfs/dbraw/zinc/19/78/21/430197821.db2.gz BYNROGBEUITKHM-XOYOTBSWSA-N 1 3 322.880 2.926 20 0 DFADHO Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCCC[C@H]3N)C2)cc1 ZINC000635013013 430198619 /nfs/dbraw/zinc/19/86/19/430198619.db2.gz PVLLVDRAGONFQS-OTWHNJEPSA-N 1 3 301.478 2.819 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@H]3CCCCC[C@H]3[NH3+])C2)cc1 ZINC000635013013 430198621 /nfs/dbraw/zinc/19/86/21/430198621.db2.gz PVLLVDRAGONFQS-OTWHNJEPSA-N 1 3 301.478 2.819 20 0 DFADHO COc1ccc([C@H](C)NCCOCC[NH+](C)C)cc1Cl ZINC000581422885 430205294 /nfs/dbraw/zinc/20/52/94/430205294.db2.gz ABPYRSHNRQSSNV-LBPRGKRZSA-N 1 3 300.830 2.577 20 0 DFADHO CC(C)CC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000638051803 430218240 /nfs/dbraw/zinc/21/82/40/430218240.db2.gz RJJBKGWZSPLYFM-LSDHHAIUSA-N 1 3 323.506 2.765 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](N)CCC(C)C)c1 ZINC000638064640 430223910 /nfs/dbraw/zinc/22/39/10/430223910.db2.gz MOTVIXNIGKOIFV-GOSISDBHSA-N 1 3 319.493 2.908 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC000635187993 430224126 /nfs/dbraw/zinc/22/41/26/430224126.db2.gz GCVXDFGWJAWUSE-KRWDZBQOSA-N 1 3 317.477 2.528 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1ccc(OC2CCCCC2)nc1 ZINC000581542623 430217974 /nfs/dbraw/zinc/21/79/74/430217974.db2.gz UZCPUXPCMGLJEE-INIZCTEOSA-N 1 3 321.465 2.637 20 0 DFADHO C[NH+](C)CC1(C(=O)Nc2cccc(CN3CCCCC3)c2)CC1 ZINC000635268202 430243196 /nfs/dbraw/zinc/24/31/96/430243196.db2.gz YOEMHFBGVPBNGR-UHFFFAOYSA-N 1 3 315.461 2.953 20 0 DFADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2c2ccccc2)c2ccccc21 ZINC000581878501 430246394 /nfs/dbraw/zinc/24/63/94/430246394.db2.gz JPSZDTAGGKVTNS-XSYGEPLQSA-N 1 3 321.424 2.741 20 0 DFADHO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000542852050 430230599 /nfs/dbraw/zinc/23/05/99/430230599.db2.gz OSWWUPLURXVNBR-MNEFBYGVSA-N 1 3 302.462 2.922 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000566091206 430241435 /nfs/dbraw/zinc/24/14/35/430241435.db2.gz ARWCYZLVKKZCPN-OCCSQVGLSA-N 1 3 320.824 2.650 20 0 DFADHO CCN[C@H](C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000638301097 430297912 /nfs/dbraw/zinc/29/79/12/430297912.db2.gz BODKXTCHACUQOH-MRXNPFEDSA-N 1 3 317.477 2.898 20 0 DFADHO C[C@@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2cccn2)c(F)c1 ZINC000568248107 430337766 /nfs/dbraw/zinc/33/77/66/430337766.db2.gz HQYTTWMWEUWPNH-VHDGCEQUSA-N 1 3 302.397 2.932 20 0 DFADHO Cn1cc(CCC[NH2+]C2CCN(CC3CCCC3)CC2)cn1 ZINC000638453600 430346846 /nfs/dbraw/zinc/34/68/46/430346846.db2.gz GHHRMQRMHKJARB-UHFFFAOYSA-N 1 3 304.482 2.597 20 0 DFADHO Cn1cc(CCCNC2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000638453600 430346850 /nfs/dbraw/zinc/34/68/50/430346850.db2.gz GHHRMQRMHKJARB-UHFFFAOYSA-N 1 3 304.482 2.597 20 0 DFADHO CO[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000638721789 430416241 /nfs/dbraw/zinc/41/62/41/430416241.db2.gz RXRSKKBTTXIGQC-IBGZPJMESA-N 1 3 324.509 2.815 20 0 DFADHO CO[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000638721789 430416244 /nfs/dbraw/zinc/41/62/44/430416244.db2.gz RXRSKKBTTXIGQC-IBGZPJMESA-N 1 3 324.509 2.815 20 0 DFADHO c1n[nH]c2c1CCC[C@@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000568380975 430353162 /nfs/dbraw/zinc/35/31/62/430353162.db2.gz WARXSIQCJPHVFT-TXPKVOOTSA-N 1 3 324.428 2.633 20 0 DFADHO CC[C@H](N)c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179205 430354655 /nfs/dbraw/zinc/35/46/55/430354655.db2.gz GCIXDMXOGRYRDO-KRWDZBQOSA-N 1 3 313.449 2.722 20 0 DFADHO CN(C)CCN(CC1CCCCC1)C(=O)CCCC[NH+](C)C ZINC000582990628 430354883 /nfs/dbraw/zinc/35/48/83/430354883.db2.gz VSFRIVWEWXMSDA-UHFFFAOYSA-N 1 3 311.514 2.689 20 0 DFADHO C[C@H](C(=O)Nc1cccc2c1CC[NH2+]C2)N1CCCCCC1 ZINC000568508831 430364810 /nfs/dbraw/zinc/36/48/10/430364810.db2.gz SXQWUZGYGHNYCC-CQSZACIVSA-N 1 3 301.434 2.535 20 0 DFADHO CO[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000638521654 430366386 /nfs/dbraw/zinc/36/63/86/430366386.db2.gz NPEYHMQIANXLJW-IEBWSBKVSA-N 1 3 302.462 2.566 20 0 DFADHO CO[C@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521654 430366388 /nfs/dbraw/zinc/36/63/88/430366388.db2.gz NPEYHMQIANXLJW-IEBWSBKVSA-N 1 3 302.462 2.566 20 0 DFADHO CO[C@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521654 430366392 /nfs/dbraw/zinc/36/63/92/430366392.db2.gz NPEYHMQIANXLJW-IEBWSBKVSA-N 1 3 302.462 2.566 20 0 DFADHO c1nc(CNCCCCC[NH+]2CCCCC2)cc2c1OCCO2 ZINC000638527916 430368161 /nfs/dbraw/zinc/36/81/61/430368161.db2.gz MCHJAUKUSSITIT-UHFFFAOYSA-N 1 3 319.449 2.599 20 0 DFADHO CSc1ccc([C@H](CN[C@@H](C)[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000583257281 430377123 /nfs/dbraw/zinc/37/71/23/430377123.db2.gz XBOCADYFXPHYIV-ZVZYQTTQSA-N 1 3 321.534 2.989 20 0 DFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000635787423 430377577 /nfs/dbraw/zinc/37/75/77/430377577.db2.gz MVQNVGYSKDVEBD-HZPDHXFCSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000635787423 430377579 /nfs/dbraw/zinc/37/75/79/430377579.db2.gz MVQNVGYSKDVEBD-HZPDHXFCSA-N 1 3 323.525 2.734 20 0 DFADHO COc1cc(CNCCC2CC[NH+](C)CC2)c(Cl)cc1O ZINC000638566190 430378422 /nfs/dbraw/zinc/37/84/22/430378422.db2.gz CTLSAOHJFFNPAS-UHFFFAOYSA-N 1 3 312.841 2.876 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000568646312 430380428 /nfs/dbraw/zinc/38/04/28/430380428.db2.gz DXOUFHNLGGWEPB-HOCLYGCPSA-N 1 3 323.431 2.789 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(F)c2N)[C@H](C)C1 ZINC000638595368 430383440 /nfs/dbraw/zinc/38/34/40/430383440.db2.gz RNXGMKTUHINHGQ-PBHICJAKSA-N 1 3 323.456 2.635 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(F)c2N)[C@@H](C)C1 ZINC000638595370 430383646 /nfs/dbraw/zinc/38/36/46/430383646.db2.gz RNXGMKTUHINHGQ-WMLDXEAASA-N 1 3 323.456 2.635 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](CC/C=C/c2cncc(OC)c2)C1 ZINC000583497163 430401249 /nfs/dbraw/zinc/40/12/49/430401249.db2.gz YAERBCNTOXRESZ-QQOXCAACSA-N 1 3 303.450 2.767 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](CC/C=C/c2cncc(OC)c2)C1 ZINC000583497163 430401251 /nfs/dbraw/zinc/40/12/51/430401251.db2.gz YAERBCNTOXRESZ-QQOXCAACSA-N 1 3 303.450 2.767 20 0 DFADHO CCCC[NH+]1CCC(NC[C@@H](O)CCc2ccccc2)CC1 ZINC000583688773 430418320 /nfs/dbraw/zinc/41/83/20/430418320.db2.gz BLALIPSVPHAJJV-IBGZPJMESA-N 1 3 304.478 2.834 20 0 DFADHO C[C@@H](Cc1ccsc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000583899356 430439620 /nfs/dbraw/zinc/43/96/20/430439620.db2.gz MGLCCYFEBITGFR-HNNXBMFYSA-N 1 3 309.523 2.637 20 0 DFADHO C[C@@H](Cc1ccsc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000583899356 430439623 /nfs/dbraw/zinc/43/96/23/430439623.db2.gz MGLCCYFEBITGFR-HNNXBMFYSA-N 1 3 309.523 2.637 20 0 DFADHO CN1CCC2(CCCN2C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548064028 430442823 /nfs/dbraw/zinc/44/28/23/430442823.db2.gz FXWZIUGYHZCSHP-UHFFFAOYSA-N 1 3 321.509 2.728 20 0 DFADHO CN1CCC2(CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548064028 430442827 /nfs/dbraw/zinc/44/28/27/430442827.db2.gz FXWZIUGYHZCSHP-UHFFFAOYSA-N 1 3 321.509 2.728 20 0 DFADHO [NH3+][C@H]1CCCCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000638819290 430443711 /nfs/dbraw/zinc/44/37/11/430443711.db2.gz IRZVBTMEKVDFQZ-SFHVURJKSA-N 1 3 315.461 2.626 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048121 430452946 /nfs/dbraw/zinc/45/29/46/430452946.db2.gz DLHTXCJNUFFTTL-AEFFLSMTSA-N 1 3 324.896 2.953 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048121 430452949 /nfs/dbraw/zinc/45/29/49/430452949.db2.gz DLHTXCJNUFFTTL-AEFFLSMTSA-N 1 3 324.896 2.953 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048121 430452955 /nfs/dbraw/zinc/45/29/55/430452955.db2.gz DLHTXCJNUFFTTL-AEFFLSMTSA-N 1 3 324.896 2.953 20 0 DFADHO C[C@H]([NH2+]CCN1CC[C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548155709 430453766 /nfs/dbraw/zinc/45/37/66/430453766.db2.gz CIFXJNPMUVZGDX-HBFSDRIKSA-N 1 3 315.505 2.828 20 0 DFADHO CO[C@@H](CNCc1ccccc1C[N@H+](C)C(C)C)[C@H]1CCOC1 ZINC000638853403 430456203 /nfs/dbraw/zinc/45/62/03/430456203.db2.gz FJAHMPPFQWEFON-OALUTQOASA-N 1 3 320.477 2.668 20 0 DFADHO CO[C@@H](CNCc1ccccc1C[N@@H+](C)C(C)C)[C@H]1CCOC1 ZINC000638853403 430456207 /nfs/dbraw/zinc/45/62/07/430456207.db2.gz FJAHMPPFQWEFON-OALUTQOASA-N 1 3 320.477 2.668 20 0 DFADHO CCN1CCN(CCC[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638853044 430456832 /nfs/dbraw/zinc/45/68/32/430456832.db2.gz IUHSSFGMHQMAAJ-WOJBJXKFSA-N 1 3 315.505 2.797 20 0 DFADHO CO[C@H](CNCc1ccccc1C[N@H+](C)C(C)C)[C@H]1CCOC1 ZINC000638853404 430456936 /nfs/dbraw/zinc/45/69/36/430456936.db2.gz FJAHMPPFQWEFON-RBUKOAKNSA-N 1 3 320.477 2.668 20 0 DFADHO CO[C@H](CNCc1ccccc1C[N@@H+](C)C(C)C)[C@H]1CCOC1 ZINC000638853404 430456940 /nfs/dbraw/zinc/45/69/40/430456940.db2.gz FJAHMPPFQWEFON-RBUKOAKNSA-N 1 3 320.477 2.668 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000569469257 430457583 /nfs/dbraw/zinc/45/75/83/430457583.db2.gz RUJRFQUXAGPMAH-OTWHNJEPSA-N 1 3 304.478 2.876 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000569469257 430457587 /nfs/dbraw/zinc/45/75/87/430457587.db2.gz RUJRFQUXAGPMAH-OTWHNJEPSA-N 1 3 304.478 2.876 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000569469255 430457886 /nfs/dbraw/zinc/45/78/86/430457886.db2.gz RUJRFQUXAGPMAH-GBESFXJTSA-N 1 3 304.478 2.876 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000569469255 430457891 /nfs/dbraw/zinc/45/78/91/430457891.db2.gz RUJRFQUXAGPMAH-GBESFXJTSA-N 1 3 304.478 2.876 20 0 DFADHO [NH3+]Cc1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000584175104 430464931 /nfs/dbraw/zinc/46/49/31/430464931.db2.gz IPSICNPLSLHPHB-UHFFFAOYSA-N 1 3 323.440 2.671 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@H]3CCC[C@@H]([NH3+])C3)C2)c1 ZINC000584183160 430467591 /nfs/dbraw/zinc/46/75/91/430467591.db2.gz WRMJWSOMHYSXOB-PMPSAXMXSA-N 1 3 303.450 2.524 20 0 DFADHO COc1cccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H](N)C3)C2)c1 ZINC000584183160 430467596 /nfs/dbraw/zinc/46/75/96/430467596.db2.gz WRMJWSOMHYSXOB-PMPSAXMXSA-N 1 3 303.450 2.524 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548393080 430469722 /nfs/dbraw/zinc/46/97/22/430469722.db2.gz KNXUMFBEIWQEPX-FUHWJXTLSA-N 1 3 321.509 2.584 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548393080 430469727 /nfs/dbraw/zinc/46/97/27/430469727.db2.gz KNXUMFBEIWQEPX-FUHWJXTLSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H](CN1CCCCC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548389084 430469754 /nfs/dbraw/zinc/46/97/54/430469754.db2.gz DZMMBCGLXHHEAR-MRXNPFEDSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@H](CN1CCCCC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548389084 430469759 /nfs/dbraw/zinc/46/97/59/430469759.db2.gz DZMMBCGLXHHEAR-MRXNPFEDSA-N 1 3 309.498 2.632 20 0 DFADHO COCC[NH2+]C1CCN(C[C@H](C)CCc2ccccc2)CC1 ZINC000569697665 430478487 /nfs/dbraw/zinc/47/84/87/430478487.db2.gz GYTYVJVZNYDPNQ-QGZVFWFLSA-N 1 3 304.478 2.956 20 0 DFADHO CCCC[NH+]1CCC(NC[C@H](O)CCc2ccccc2)CC1 ZINC000583688774 430418904 /nfs/dbraw/zinc/41/89/04/430418904.db2.gz BLALIPSVPHAJJV-LJQANCHMSA-N 1 3 304.478 2.834 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2cc3ccccc3n2C)CC1 ZINC000638740048 430421090 /nfs/dbraw/zinc/42/10/90/430421090.db2.gz XISNLKUFBFZZBG-UHFFFAOYSA-N 1 3 315.461 2.503 20 0 DFADHO CCCc1nc(C)c(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000641821560 430482978 /nfs/dbraw/zinc/48/29/78/430482978.db2.gz LOXSYYXQUPEYRU-ARFHVFGLSA-N 1 3 321.465 2.796 20 0 DFADHO CCC1([NH+]2CCCC2)CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC000636309949 430511669 /nfs/dbraw/zinc/51/16/69/430511669.db2.gz IEBKFQLGMIZYSV-UHFFFAOYSA-N 1 3 323.525 2.831 20 0 DFADHO CCCc1ccc(C[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000642342902 430512338 /nfs/dbraw/zinc/51/23/38/430512338.db2.gz KIDDWJGPEAJARQ-UHFFFAOYSA-N 1 3 303.494 2.756 20 0 DFADHO Cc1ncc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)n1C ZINC000570175395 430519913 /nfs/dbraw/zinc/51/99/13/430519913.db2.gz CPNNMYZEWMHKOY-BEFAXECRSA-N 1 3 312.461 2.729 20 0 DFADHO CC(C)(C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)CN1CCCC1 ZINC000570325012 430533248 /nfs/dbraw/zinc/53/32/48/430533248.db2.gz FVAXTZDZOQUZTR-KRWDZBQOSA-N 1 3 324.896 2.955 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCC1)C1CCN(CC(F)(F)F)CC1 ZINC000551045068 430548945 /nfs/dbraw/zinc/54/89/45/430548945.db2.gz GKSJNDKPICSMKP-AWEZNQCLSA-N 1 3 321.431 2.725 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOC[C@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000551050766 430548977 /nfs/dbraw/zinc/54/89/77/430548977.db2.gz BROPTPLQOGONEP-OTWHNJEPSA-N 1 3 318.461 2.607 20 0 DFADHO C[N@H+]1CC[C@H](NCCOC[C@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000551050766 430548981 /nfs/dbraw/zinc/54/89/81/430548981.db2.gz BROPTPLQOGONEP-OTWHNJEPSA-N 1 3 318.461 2.607 20 0 DFADHO Cc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c(F)c1 ZINC000639170274 430552925 /nfs/dbraw/zinc/55/29/25/430552925.db2.gz RJAYBZMKFDMIJE-UHFFFAOYSA-N 1 3 307.457 2.592 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+]Cc3cccc(C4CC4)c3)C2)CC1 ZINC000643289037 430574606 /nfs/dbraw/zinc/57/46/06/430574606.db2.gz JWAHCHHYVYAXTQ-IBGZPJMESA-N 1 3 313.489 2.822 20 0 DFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000570811514 430580398 /nfs/dbraw/zinc/58/03/98/430580398.db2.gz FTTJLGDQVREJFA-KGLIPLIRSA-N 1 3 316.449 2.532 20 0 DFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)[N@H+]1CCC[C@@H](C)C1 ZINC000570811514 430580402 /nfs/dbraw/zinc/58/04/02/430580402.db2.gz FTTJLGDQVREJFA-KGLIPLIRSA-N 1 3 316.449 2.532 20 0 DFADHO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C)[C@@H]3CCC[C@H]31)CCO2 ZINC000552065206 430584045 /nfs/dbraw/zinc/58/40/45/430584045.db2.gz JTEUCXXDNVCZRE-XOYOTBSWSA-N 1 3 316.445 2.981 20 0 DFADHO C[C@@H](NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000643453178 430602135 /nfs/dbraw/zinc/60/21/35/430602135.db2.gz MOHWEZFMSFBOHO-GLJUWKHASA-N 1 3 323.431 2.911 20 0 DFADHO COc1cccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1OC ZINC000570953595 430592567 /nfs/dbraw/zinc/59/25/67/430592567.db2.gz RVKGAYXXINOMLT-BRWVUGGUSA-N 1 3 318.461 2.757 20 0 DFADHO Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CCC[C@@H](N)C3)cc2)n1 ZINC000570984958 430594306 /nfs/dbraw/zinc/59/43/06/430594306.db2.gz ADDMSNYRQJAIID-MSOLQXFVSA-N 1 3 312.461 2.891 20 0 DFADHO Cc1cc(C)n(-c2ccc(CCN[C@H]3CCC[C@@H]([NH3+])C3)cc2)n1 ZINC000570984958 430594310 /nfs/dbraw/zinc/59/43/10/430594310.db2.gz ADDMSNYRQJAIID-MSOLQXFVSA-N 1 3 312.461 2.891 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+]CCC[C@@H]3CCO3)cc2)CC1 ZINC000639147399 430543398 /nfs/dbraw/zinc/54/33/98/430543398.db2.gz SHESUGTZCRURSJ-QGZVFWFLSA-N 1 3 318.461 2.818 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453262 430602780 /nfs/dbraw/zinc/60/27/80/430602780.db2.gz VAGZKVXZVSEBKO-GLJUWKHASA-N 1 3 323.431 2.898 20 0 DFADHO CC(C)C1(C[NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CC1 ZINC000639307842 430604099 /nfs/dbraw/zinc/60/40/99/430604099.db2.gz IYJJRRMXNAYSBE-GOSISDBHSA-N 1 3 302.462 2.779 20 0 DFADHO FC(F)(F)[C@@H]1CC([NH2+][C@H]2CCNC2)C[C@@H](C(F)(F)F)C1 ZINC000643458701 430604231 /nfs/dbraw/zinc/60/42/31/430604231.db2.gz RRNWXOURPJGJEA-CIUDSAMLSA-N 1 3 304.278 2.847 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457544 430604281 /nfs/dbraw/zinc/60/42/81/430604281.db2.gz KXABGFSRFZEBLP-IUIKQTSFSA-N 1 3 321.852 2.706 20 0 DFADHO c1cc(CN2CCC(C[NH2+]CCC3CCOCC3)CC2)ccn1 ZINC000639311561 430605746 /nfs/dbraw/zinc/60/57/46/430605746.db2.gz NVTQYCOVDMOXQN-UHFFFAOYSA-N 1 3 317.477 2.700 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CS1 ZINC000639312208 430606197 /nfs/dbraw/zinc/60/61/97/430606197.db2.gz SWKCKDCINCFSAX-PBHICJAKSA-N 1 3 305.491 2.777 20 0 DFADHO C[C@@H]1[C@H](NC[C@H]2CCCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000643502239 430610487 /nfs/dbraw/zinc/61/04/87/430610487.db2.gz AVAVLHIHALQQFA-BHIYHBOVSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(-n2cncn2)cc1 ZINC000643523446 430613662 /nfs/dbraw/zinc/61/36/62/430613662.db2.gz JFJNMKHDVDTQQW-CQSZACIVSA-N 1 3 319.412 2.721 20 0 DFADHO FCCOCCN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639337248 430613782 /nfs/dbraw/zinc/61/37/82/430613782.db2.gz LEXAEKHMVYPALE-WMZOPIPTSA-N 1 3 306.425 2.930 20 0 DFADHO FCCOCCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639337248 430613783 /nfs/dbraw/zinc/61/37/83/430613783.db2.gz LEXAEKHMVYPALE-WMZOPIPTSA-N 1 3 306.425 2.930 20 0 DFADHO COc1cc(C[C@@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)ccn1 ZINC000639336245 430614314 /nfs/dbraw/zinc/61/43/14/430614314.db2.gz ABVZUWKJLAJAHS-QAPCUYQASA-N 1 3 317.477 2.733 20 0 DFADHO COc1cc(C[C@@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccn1 ZINC000639336245 430614317 /nfs/dbraw/zinc/61/43/17/430614317.db2.gz ABVZUWKJLAJAHS-QAPCUYQASA-N 1 3 317.477 2.733 20 0 DFADHO COc1cc(C[C@@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)ccn1 ZINC000639336245 430614319 /nfs/dbraw/zinc/61/43/19/430614319.db2.gz ABVZUWKJLAJAHS-QAPCUYQASA-N 1 3 317.477 2.733 20 0 DFADHO Cn1cc([C@H](NC[C@@H]2CCC[C@@H]([NH3+])C2)c2cccc(F)c2)cn1 ZINC000643541142 430614731 /nfs/dbraw/zinc/61/47/31/430614731.db2.gz PKJKJPLTSDEYFV-FSPWUOQZSA-N 1 3 316.424 2.756 20 0 DFADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1cc(-c2ccccc2)nn1C ZINC000643536935 430614913 /nfs/dbraw/zinc/61/49/13/430614913.db2.gz YWKIQHINFXZAGZ-KDOFPFPSSA-N 1 3 310.445 2.880 20 0 DFADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC13CC[NH2+]CC3)CCS2 ZINC000643535206 430615076 /nfs/dbraw/zinc/61/50/76/430615076.db2.gz KMOMWXUMGXDCLW-GDBMZVCRSA-N 1 3 304.459 2.964 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H](C3CCC3)[C@H]3CCCO3)CC2)ccn1 ZINC000639390063 430631645 /nfs/dbraw/zinc/63/16/45/430631645.db2.gz SUPIWGWKGGPFPK-MOPGFXCFSA-N 1 3 315.461 2.988 20 0 DFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000571620748 430641095 /nfs/dbraw/zinc/64/10/95/430641095.db2.gz OMNLBMZENCKAJN-GOSISDBHSA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000571620748 430641097 /nfs/dbraw/zinc/64/10/97/430641097.db2.gz OMNLBMZENCKAJN-GOSISDBHSA-N 1 3 321.509 2.584 20 0 DFADHO CCc1[nH+]c2ccccc2c(N2CCCN(CCO)CC2)c1C ZINC000554537627 430641217 /nfs/dbraw/zinc/64/12/17/430641217.db2.gz KUEBHAXJXSNYNL-UHFFFAOYSA-N 1 3 313.445 2.610 20 0 DFADHO CC(C)n1cc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cn1 ZINC000554550944 430642663 /nfs/dbraw/zinc/64/26/63/430642663.db2.gz UYZPQQHMKHBWEA-QGZVFWFLSA-N 1 3 321.513 2.531 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)c1ccsc1 ZINC000572123279 430673098 /nfs/dbraw/zinc/67/30/98/430673098.db2.gz HFWWBAZFAWVHPQ-HOTGVXAUSA-N 1 3 323.506 2.779 20 0 DFADHO CSCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000175796485 278129998 /nfs/dbraw/zinc/12/99/98/278129998.db2.gz KIWRYWXHVZSMNT-HUUCEWRRSA-N 1 3 300.512 2.561 20 0 DFADHO C[C@H](CNC(=O)[C@H](C)[C@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000263239634 278205974 /nfs/dbraw/zinc/20/59/74/278205974.db2.gz FSLMCLLMOKPMIM-NUJGCVRESA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)N1CCc2sccc2C1 ZINC000177864208 278209726 /nfs/dbraw/zinc/20/97/26/278209726.db2.gz LNBXDCRPFTYRJH-SQWLQELKSA-N 1 3 307.507 2.567 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2sccc2C1 ZINC000177864208 278209727 /nfs/dbraw/zinc/20/97/27/278209727.db2.gz LNBXDCRPFTYRJH-SQWLQELKSA-N 1 3 307.507 2.567 20 0 DFADHO C[NH+](C)CCOCCN[C@@H]1CCCOc2ccc(Cl)cc21 ZINC000572708134 430695254 /nfs/dbraw/zinc/69/52/54/430695254.db2.gz PMBHZQKEARKGLX-OAHLLOKOSA-N 1 3 312.841 2.722 20 0 DFADHO C[C@@H](CC[NH2+][C@@H]1CCN(C)[C@H](C)C1)N(C)Cc1ccccc1 ZINC000246985786 278233868 /nfs/dbraw/zinc/23/38/68/278233868.db2.gz JCHQXSFIESPDGQ-YQVWRLOYSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)C(C)(C)n1cncn1 ZINC000370740296 278254087 /nfs/dbraw/zinc/25/40/87/278254087.db2.gz RRSJVARDVLSIPV-HNNXBMFYSA-N 1 3 319.497 2.646 20 0 DFADHO C[C@H](NC1CC[NH+](CC2CCCC2)CC1)C(C)(C)n1cncn1 ZINC000370740296 278254089 /nfs/dbraw/zinc/25/40/89/278254089.db2.gz RRSJVARDVLSIPV-HNNXBMFYSA-N 1 3 319.497 2.646 20 0 DFADHO CN1CCN(CCCC[NH2+]Cc2ccc3occc3c2)CC1 ZINC000556837511 430694044 /nfs/dbraw/zinc/69/40/44/430694044.db2.gz MKQLAQXMRQCZBS-UHFFFAOYSA-N 1 3 301.434 2.550 20 0 DFADHO CC(C)(C)C1CCC(CN2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000262443405 278300695 /nfs/dbraw/zinc/30/06/95/278300695.db2.gz GZOSFBLRPSHFRG-DAWZGUTISA-N 1 3 307.526 2.818 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000572896579 430698079 /nfs/dbraw/zinc/69/80/79/430698079.db2.gz WVQRWXALRIXDEL-FUHWJXTLSA-N 1 3 304.478 2.789 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000572896579 430698080 /nfs/dbraw/zinc/69/80/80/430698080.db2.gz WVQRWXALRIXDEL-FUHWJXTLSA-N 1 3 304.478 2.789 20 0 DFADHO Cc1ccc2nccc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)c2c1 ZINC000664599203 430702247 /nfs/dbraw/zinc/70/22/47/430702247.db2.gz LOMKKSXOWQCHRC-INIZCTEOSA-N 1 3 311.429 2.579 20 0 DFADHO Cc1ccc2nccc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)c2c1 ZINC000664599203 430702251 /nfs/dbraw/zinc/70/22/51/430702251.db2.gz LOMKKSXOWQCHRC-INIZCTEOSA-N 1 3 311.429 2.579 20 0 DFADHO CCC(C)(C)[C@@H](C)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000651215806 430739787 /nfs/dbraw/zinc/73/97/87/430739787.db2.gz ZEILVWRPSJACOC-OAHLLOKOSA-N 1 3 319.493 2.892 20 0 DFADHO C[C@@H](CNCCC(=O)Nc1ccccc1F)C[NH+]1CCCCC1 ZINC000644525774 430742669 /nfs/dbraw/zinc/74/26/69/430742669.db2.gz GXOLDCBXQSCCHD-HNNXBMFYSA-N 1 3 321.440 2.866 20 0 DFADHO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1F)CN1CCCCC1 ZINC000644525774 430742675 /nfs/dbraw/zinc/74/26/75/430742675.db2.gz GXOLDCBXQSCCHD-HNNXBMFYSA-N 1 3 321.440 2.866 20 0 DFADHO COc1cc(C)nc(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000657813593 430743016 /nfs/dbraw/zinc/74/30/16/430743016.db2.gz TTWSXRGUJCTQNA-UHFFFAOYSA-N 1 3 303.450 2.610 20 0 DFADHO CC[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccncc1 ZINC000651228804 430744276 /nfs/dbraw/zinc/74/42/76/430744276.db2.gz CYTNQVBVBKZLSH-ZWKOTPCHSA-N 1 3 303.450 2.766 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000657832305 430748325 /nfs/dbraw/zinc/74/83/25/430748325.db2.gz BZQITJMGCQITQP-OAHLLOKOSA-N 1 3 316.449 2.506 20 0 DFADHO C[N@H+](C[C@H](O)CNCCc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000644599730 430764763 /nfs/dbraw/zinc/76/47/63/430764763.db2.gz OMIPAKKDFYAIMI-OAQYLSRUSA-N 1 3 324.468 2.941 20 0 DFADHO C[N@@H+](C[C@H](O)CNCCc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000644599730 430764766 /nfs/dbraw/zinc/76/47/66/430764766.db2.gz OMIPAKKDFYAIMI-OAQYLSRUSA-N 1 3 324.468 2.941 20 0 DFADHO O[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000644618180 430770972 /nfs/dbraw/zinc/77/09/72/430770972.db2.gz NDZSYDXMCVJSKV-LJQANCHMSA-N 1 3 317.477 2.829 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCCSCC2)C1 ZINC000657969743 430777176 /nfs/dbraw/zinc/77/71/76/430777176.db2.gz UJIYHMZTEVDLBP-ROUUACIJSA-N 1 3 320.502 2.629 20 0 DFADHO COC[C@@H](CC1CCOCC1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000657972401 430779374 /nfs/dbraw/zinc/77/93/74/430779374.db2.gz GEXWMHGJXIVROV-FUHWJXTLSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@@H](CC1CCOCC1)NCC[C@H](C)[NH+]1CCCCC1 ZINC000657972401 430779380 /nfs/dbraw/zinc/77/93/80/430779380.db2.gz GEXWMHGJXIVROV-FUHWJXTLSA-N 1 3 312.498 2.672 20 0 DFADHO CCc1cccnc1[C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106620 430813546 /nfs/dbraw/zinc/81/35/46/430813546.db2.gz JKNZIFQKJGIAIQ-HOTGVXAUSA-N 1 3 306.498 2.567 20 0 DFADHO O[C@]12C[C@H]1CN(Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000661721683 430819886 /nfs/dbraw/zinc/81/98/86/430819886.db2.gz VBJYRAYYSLKQLU-RBUKOAKNSA-N 1 3 300.446 2.629 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1 ZINC000651596160 430826485 /nfs/dbraw/zinc/82/64/85/430826485.db2.gz IAUMXDFGUSKBKM-QGZVFWFLSA-N 1 3 320.477 2.922 20 0 DFADHO Cc1n[nH]cc1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165718 430833151 /nfs/dbraw/zinc/83/31/51/430833151.db2.gz KXSVHMWHJIACSH-AWEZNQCLSA-N 1 3 313.449 2.676 20 0 DFADHO COCCC[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166781 430834205 /nfs/dbraw/zinc/83/42/05/430834205.db2.gz ORIZMTUQUHEINH-MRXNPFEDSA-N 1 3 305.466 2.698 20 0 DFADHO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(OCCN(C)C)cc1 ZINC000658057939 430796115 /nfs/dbraw/zinc/79/61/15/430796115.db2.gz KDRGQWZZYBEFHA-ZBFHGGJFSA-N 1 3 306.450 2.845 20 0 DFADHO CC(=O)NCc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000658073805 430799272 /nfs/dbraw/zinc/79/92/72/430799272.db2.gz PNEGESXRGUDUGH-UHFFFAOYSA-N 1 3 317.477 2.675 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[C@@H](O)C34CCC4)CC2)C1 ZINC000658257516 430855231 /nfs/dbraw/zinc/85/52/31/430855231.db2.gz YSXMZWPSGMBOCX-BZZMCLGOSA-N 1 3 306.494 2.923 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3C[C@@H](O)C34CCC4)CC2)C1 ZINC000658257516 430855237 /nfs/dbraw/zinc/85/52/37/430855237.db2.gz YSXMZWPSGMBOCX-BZZMCLGOSA-N 1 3 306.494 2.923 20 0 DFADHO CCc1cccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000651719014 430859137 /nfs/dbraw/zinc/85/91/37/430859137.db2.gz GFZQLOTVKNRITM-SFHVURJKSA-N 1 3 302.462 2.840 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCN(c2ccccc2Cl)C1 ZINC000665235510 430863358 /nfs/dbraw/zinc/86/33/58/430863358.db2.gz WSDPRHOQUIQICN-IIAWOOMASA-N 1 3 307.869 2.754 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1noc2ccccc12 ZINC000665232536 430864909 /nfs/dbraw/zinc/86/49/09/430864909.db2.gz OOXTUQISYFHUFN-KSSFIOAISA-N 1 3 309.413 2.918 20 0 DFADHO COc1ccc([C@H]2CC[NH2+]C[C@H]2N[C@H]2CCC[C@@H](OC)C2)cc1 ZINC000665256016 430872871 /nfs/dbraw/zinc/87/28/71/430872871.db2.gz LPLLVRFMJMKYJH-JCHJZTRSSA-N 1 3 318.461 2.688 20 0 DFADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)[C@@H]2C[C@@H]2C)cc1F ZINC000665259767 430872973 /nfs/dbraw/zinc/87/29/73/430872973.db2.gz PEJKWMQTDIPUPW-FJSLXNCJSA-N 1 3 306.425 2.914 20 0 DFADHO C[C@@H]1C[N@H+](CCCNCc2cccc3c2CCC3)CCCO1 ZINC000651786401 430875966 /nfs/dbraw/zinc/87/59/66/430875966.db2.gz WAIKSOGPEJQZGE-MRXNPFEDSA-N 1 3 302.462 2.766 20 0 DFADHO C[C@@H]1C[N@@H+](CCCNCc2cccc3c2CCC3)CCCO1 ZINC000651786401 430875972 /nfs/dbraw/zinc/87/59/72/430875972.db2.gz WAIKSOGPEJQZGE-MRXNPFEDSA-N 1 3 302.462 2.766 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1sc(C)cc1Br ZINC000665266594 430877478 /nfs/dbraw/zinc/87/74/78/430877478.db2.gz FTNMTSUZQREQOF-JTQLQIEISA-N 1 3 321.284 2.663 20 0 DFADHO c1ccc([C@H]2CC[C@H]2N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000665273709 430878637 /nfs/dbraw/zinc/87/86/37/430878637.db2.gz CELMQTGYGGTQJE-FVVUREQNSA-N 1 3 300.446 2.679 20 0 DFADHO CCCN1CC[C@H](N[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000665273907 430878821 /nfs/dbraw/zinc/87/88/21/430878821.db2.gz GNCYBXRQXVMJIZ-QXAKKESOSA-N 1 3 317.477 2.562 20 0 DFADHO Cn1cc(C[C@@H]2CCC[C@@H]2N[C@@H]2C[C@H]([NH3+])c3ccccc32)cn1 ZINC000665273179 430879782 /nfs/dbraw/zinc/87/97/82/430879782.db2.gz QZBFTFWPAPBWSU-UDTPNQRGSA-N 1 3 310.445 2.866 20 0 DFADHO CC[C@@H](NCC1(CC(=O)NC)CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000665274981 430879825 /nfs/dbraw/zinc/87/98/25/430879825.db2.gz ADTCTFJKOLLRQA-CVEARBPZSA-N 1 3 309.498 2.583 20 0 DFADHO CC[C@H](C)N1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000648796380 430895432 /nfs/dbraw/zinc/89/54/32/430895432.db2.gz KTGRYNCTWBZFPX-KRWDZBQOSA-N 1 3 319.493 2.543 20 0 DFADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(-c2ccccc2)cn1 ZINC000652192545 430983216 /nfs/dbraw/zinc/98/32/16/430983216.db2.gz DNXHGGVWCRNRGS-MRXNPFEDSA-N 1 3 313.445 2.977 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCCC34CCCC4)C2)CC1 ZINC000645408958 430994375 /nfs/dbraw/zinc/99/43/75/430994375.db2.gz MDGBTQPZLZLJJK-FUHWJXTLSA-N 1 3 305.510 2.857 20 0 DFADHO CC[N@H+](CCOc1ccccc1OC)CC[C@@H]1CCCN1C ZINC000662205541 430998112 /nfs/dbraw/zinc/99/81/12/430998112.db2.gz PWVHNFGVTHEZLP-INIZCTEOSA-N 1 3 306.450 2.880 20 0 DFADHO CC[N@@H+](CCOc1ccccc1OC)CC[C@@H]1CCCN1C ZINC000662205541 430998119 /nfs/dbraw/zinc/99/81/19/430998119.db2.gz PWVHNFGVTHEZLP-INIZCTEOSA-N 1 3 306.450 2.880 20 0 DFADHO C[C@]1(CCc2ccccc2)CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662257689 431020330 /nfs/dbraw/zinc/02/03/30/431020330.db2.gz RMGFDLPMXOZMES-OALUTQOASA-N 1 3 314.473 2.852 20 0 DFADHO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662257689 431020334 /nfs/dbraw/zinc/02/03/34/431020334.db2.gz RMGFDLPMXOZMES-OALUTQOASA-N 1 3 314.473 2.852 20 0 DFADHO CCc1nc(C)c([C@H](C)N(C)C[C@@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662262045 431020806 /nfs/dbraw/zinc/02/08/06/431020806.db2.gz DATFCFLYKRJOHE-STQMWFEESA-N 1 3 309.479 2.528 20 0 DFADHO C[C@@H]1CCCN(CCc2nc3ccccc3n2C)[C@H]1CC[NH3+] ZINC000652355577 431030132 /nfs/dbraw/zinc/03/01/32/431030132.db2.gz ADDFVIUEXAVRQP-ZBFHGGJFSA-N 1 3 300.450 2.565 20 0 DFADHO C[C@@H]1CCC[N@H+](CCc2nc3ccccc3n2C)[C@H]1CCN ZINC000652355577 431030136 /nfs/dbraw/zinc/03/01/36/431030136.db2.gz ADDFVIUEXAVRQP-ZBFHGGJFSA-N 1 3 300.450 2.565 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCc2nc3ccccc3n2C)[C@H]1CCN ZINC000652355577 431030141 /nfs/dbraw/zinc/03/01/41/431030141.db2.gz ADDFVIUEXAVRQP-ZBFHGGJFSA-N 1 3 300.450 2.565 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2NCC2(C)C)cc1 ZINC000645550999 431031087 /nfs/dbraw/zinc/03/10/87/431031087.db2.gz CGMGGVMORNYBPO-PBHICJAKSA-N 1 3 315.461 2.998 20 0 DFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2NCC2(C)C)cc1 ZINC000645550999 431031090 /nfs/dbraw/zinc/03/10/90/431031090.db2.gz CGMGGVMORNYBPO-PBHICJAKSA-N 1 3 315.461 2.998 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)c1ccccc1 ZINC000662391644 431069436 /nfs/dbraw/zinc/06/94/36/431069436.db2.gz DSXFRYDRIZMRJS-IAGOWNOFSA-N 1 3 317.477 2.574 20 0 DFADHO C[C@H](C(=O)NC1CCCCC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290641 431035114 /nfs/dbraw/zinc/03/51/14/431035114.db2.gz HDAQSOLDMPUCHD-WBVHZDCISA-N 1 3 321.509 2.535 20 0 DFADHO Cc1ccc2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)cn2c1 ZINC000662295563 431037002 /nfs/dbraw/zinc/03/70/02/431037002.db2.gz VEWJONXAYMXJSO-QGZVFWFLSA-N 1 3 312.461 2.854 20 0 DFADHO Cc1cccc(NC(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296218 431037601 /nfs/dbraw/zinc/03/76/01/431037601.db2.gz YGRGVGCPVMZSTD-KRWDZBQOSA-N 1 3 315.461 2.645 20 0 DFADHO Cc1ccc(NC(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662296378 431038886 /nfs/dbraw/zinc/03/88/86/431038886.db2.gz ZTDQQYUAFRVTEA-KRWDZBQOSA-N 1 3 315.461 2.645 20 0 DFADHO C(c1noc2c1CCCC2)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298967 431039173 /nfs/dbraw/zinc/03/91/73/431039173.db2.gz YVLZCVULDHUPJF-OAHLLOKOSA-N 1 3 303.450 2.765 20 0 DFADHO C[C@@H]1CCCN(CC(=O)N(C)CC2CCCCC2)[C@@H]1CCC[NH3+] ZINC000662316368 431043992 /nfs/dbraw/zinc/04/39/92/431043992.db2.gz WCVPVIAIMYXFMK-SJLPKXTDSA-N 1 3 323.525 2.865 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662352421 431055462 /nfs/dbraw/zinc/05/54/62/431055462.db2.gz VBRHFPCARVOMLH-MAUKXSAKSA-N 1 3 315.461 2.602 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662352421 431055464 /nfs/dbraw/zinc/05/54/64/431055464.db2.gz VBRHFPCARVOMLH-MAUKXSAKSA-N 1 3 315.461 2.602 20 0 DFADHO Cc1ccc([C@H](CNC(=O)CCC(C)(C)[NH3+])N2CCCC2)cc1 ZINC000649309978 431062772 /nfs/dbraw/zinc/06/27/72/431062772.db2.gz MGYOQNLXOBSXOF-KRWDZBQOSA-N 1 3 317.477 2.766 20 0 DFADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000645472842 431013028 /nfs/dbraw/zinc/01/30/28/431013028.db2.gz MBAFQJOFUPVCHZ-GOEBONIOSA-N 1 3 305.466 2.559 20 0 DFADHO OC[C@H](CCF)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000652300577 431013981 /nfs/dbraw/zinc/01/39/81/431013981.db2.gz HBIJYNNXSVQCBM-WJFTUGDTSA-N 1 3 320.452 2.740 20 0 DFADHO OC[C@H](CCF)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000652300577 431013983 /nfs/dbraw/zinc/01/39/83/431013983.db2.gz HBIJYNNXSVQCBM-WJFTUGDTSA-N 1 3 320.452 2.740 20 0 DFADHO CN(Cc1cccc2c1CC[NH2+]C2)[C@@H](CCO)c1ccccc1 ZINC000662254748 431014645 /nfs/dbraw/zinc/01/46/45/431014645.db2.gz KYQBSLVLLMBBNE-FQEVSTJZSA-N 1 3 310.441 2.888 20 0 DFADHO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC3(CNC3)O2)C12CCCCC2 ZINC000662255712 431016288 /nfs/dbraw/zinc/01/62/88/431016288.db2.gz DPZQMHRLBWTBNX-GVDBMIGSSA-N 1 3 322.493 2.567 20 0 DFADHO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC3(CNC3)O2)C12CCCCC2 ZINC000662255712 431016292 /nfs/dbraw/zinc/01/62/92/431016292.db2.gz DPZQMHRLBWTBNX-GVDBMIGSSA-N 1 3 322.493 2.567 20 0 DFADHO CO[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655696944 431088072 /nfs/dbraw/zinc/08/80/72/431088072.db2.gz CUVUJSMSWBLPBT-OALUTQOASA-N 1 3 318.461 2.607 20 0 DFADHO c1cncc([C@H](NC2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)c1 ZINC000655737981 431108302 /nfs/dbraw/zinc/10/83/02/431108302.db2.gz SNVVRHQPYRUCEA-RTBURBONSA-N 1 3 315.461 2.766 20 0 DFADHO Cc1cncc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000184325346 279025834 /nfs/dbraw/zinc/02/58/34/279025834.db2.gz JYERLNJRTNSYEV-BRWVUGGUSA-N 1 3 305.466 2.930 20 0 DFADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H](N)c1ccccc1 ZINC000662594082 431127997 /nfs/dbraw/zinc/12/79/97/431127997.db2.gz RJIMPXPNYQARDD-YQQAZPJKSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H](N)c1ccccc1 ZINC000662594082 431128007 /nfs/dbraw/zinc/12/80/07/431128007.db2.gz RJIMPXPNYQARDD-YQQAZPJKSA-N 1 3 317.477 2.559 20 0 DFADHO CCN1CCCN(C(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000263762717 279136472 /nfs/dbraw/zinc/13/64/72/279136472.db2.gz ZGOHMIAWVZJOLV-UHFFFAOYSA-N 1 3 317.477 2.696 20 0 DFADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000253550192 279229685 /nfs/dbraw/zinc/22/96/85/279229685.db2.gz OAWMSBUWOXVCNZ-KYHPRHEASA-N 1 3 321.509 2.628 20 0 DFADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000253550192 279229687 /nfs/dbraw/zinc/22/96/87/279229687.db2.gz OAWMSBUWOXVCNZ-KYHPRHEASA-N 1 3 321.509 2.628 20 0 DFADHO C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000253550191 279233246 /nfs/dbraw/zinc/23/32/46/279233246.db2.gz OAWMSBUWOXVCNZ-HPFXQQBRSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000253550191 279233249 /nfs/dbraw/zinc/23/32/49/279233249.db2.gz OAWMSBUWOXVCNZ-HPFXQQBRSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)CN(C)C ZINC000293351967 279350022 /nfs/dbraw/zinc/35/00/22/279350022.db2.gz HACBNOZELXMTAF-ZHALLVOQSA-N 1 3 303.494 2.684 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000154256385 279357188 /nfs/dbraw/zinc/35/71/88/279357188.db2.gz OLFDJSRKMHBOAX-KRWDZBQOSA-N 1 3 319.493 2.910 20 0 DFADHO Cn1cnc2cc(C[N@H+](CCN)CCc3ccccc3)ccc21 ZINC000262010879 279388837 /nfs/dbraw/zinc/38/88/37/279388837.db2.gz MGIWPHVOFISCOL-UHFFFAOYSA-N 1 3 308.429 2.577 20 0 DFADHO Cn1cnc2cc(C[N@@H+](CCN)CCc3ccccc3)ccc21 ZINC000262010879 279388838 /nfs/dbraw/zinc/38/88/38/279388838.db2.gz MGIWPHVOFISCOL-UHFFFAOYSA-N 1 3 308.429 2.577 20 0 DFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)CC1CCCCC1 ZINC000662695238 431165005 /nfs/dbraw/zinc/16/50/05/431165005.db2.gz XYWMEQRMTYNMIL-RDJZCZTQSA-N 1 3 309.498 2.521 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000646071434 431168229 /nfs/dbraw/zinc/16/82/29/431168229.db2.gz HQBHNMSNWYXUNT-VBQJREDUSA-N 1 3 323.506 2.621 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@@H]3CCCOC3)C2)s1 ZINC000649603487 431191671 /nfs/dbraw/zinc/19/16/71/431191671.db2.gz OWANMJRLQYUEQF-HZPDHXFCSA-N 1 3 308.491 2.989 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H]3CCCOC3)C2)s1 ZINC000649603487 431191677 /nfs/dbraw/zinc/19/16/77/431191677.db2.gz OWANMJRLQYUEQF-HZPDHXFCSA-N 1 3 308.491 2.989 20 0 DFADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc2c1CNC2 ZINC000662788742 431195924 /nfs/dbraw/zinc/19/59/24/431195924.db2.gz SROYPLYXZAZQAE-UHFFFAOYSA-N 1 3 315.461 2.626 20 0 DFADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cccc2c1CNC2 ZINC000662788742 431195929 /nfs/dbraw/zinc/19/59/29/431195929.db2.gz SROYPLYXZAZQAE-UHFFFAOYSA-N 1 3 315.461 2.626 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662673446 431158567 /nfs/dbraw/zinc/15/85/67/431158567.db2.gz KZQIJXCSPJTBDA-GOSISDBHSA-N 1 3 315.461 2.552 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)c1ccsc1 ZINC000662678849 431159589 /nfs/dbraw/zinc/15/95/89/431159589.db2.gz JYTQJFPHIIFIDA-HUUCEWRRSA-N 1 3 323.506 2.635 20 0 DFADHO O[C@@H]1CCC[C@H]1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000660013410 431234366 /nfs/dbraw/zinc/23/43/66/431234366.db2.gz XEDAXKXARXRJBX-UAFMIMERSA-N 1 3 314.473 2.886 20 0 DFADHO O[C@@H]1CCC[C@H]1N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000660013410 431234370 /nfs/dbraw/zinc/23/43/70/431234370.db2.gz XEDAXKXARXRJBX-UAFMIMERSA-N 1 3 314.473 2.886 20 0 DFADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H]2CCCCC2(C)C)CC1 ZINC000660056950 431251083 /nfs/dbraw/zinc/25/10/83/431251083.db2.gz MFHRNLKCYKRQMV-QGZVFWFLSA-N 1 3 323.525 2.593 20 0 DFADHO CN(Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H](O)C1CC1 ZINC000663076607 431279411 /nfs/dbraw/zinc/27/94/11/431279411.db2.gz IYZWXUBAEJPFSU-IBGZPJMESA-N 1 3 302.462 2.875 20 0 DFADHO C[NH2+]Cc1ccccc1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000653214302 431316064 /nfs/dbraw/zinc/31/60/64/431316064.db2.gz OWGQNUKBJNXZCZ-SFHVURJKSA-N 1 3 317.477 2.533 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]CC2)c1 ZINC000653110775 431270404 /nfs/dbraw/zinc/27/04/04/431270404.db2.gz UGOZPXULIZHOLR-MRXNPFEDSA-N 1 3 303.450 2.857 20 0 DFADHO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000176042067 279656063 /nfs/dbraw/zinc/65/60/63/279656063.db2.gz UTYVVQKTHSEEFR-SZMVWBNQSA-N 1 3 317.477 2.574 20 0 DFADHO CC[C@@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253290 431335986 /nfs/dbraw/zinc/33/59/86/431335986.db2.gz NXQKQUIWJCSRMJ-OAHLLOKOSA-N 1 3 307.463 2.550 20 0 DFADHO NC1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCC1 ZINC000653253539 431336837 /nfs/dbraw/zinc/33/68/37/431336837.db2.gz XAEAIZLTDSWTBC-UHFFFAOYSA-N 1 3 319.474 2.694 20 0 DFADHO CC(C)(N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253593 431337391 /nfs/dbraw/zinc/33/73/91/431337391.db2.gz YMZDZKBAOJXVNC-UHFFFAOYSA-N 1 3 307.463 2.550 20 0 DFADHO CCC[C@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653252963 431337904 /nfs/dbraw/zinc/33/79/04/431337904.db2.gz APPIGXXUSAVIRG-INIZCTEOSA-N 1 3 321.490 2.940 20 0 DFADHO [NH3+][C@H]1C[C@H](c2nc(-c3cccc(CN4CCCCC4)c3)no2)C1 ZINC000663250464 431341111 /nfs/dbraw/zinc/34/11/11/431341111.db2.gz GZOHEHQWJQHBQS-WKILWMFISA-N 1 3 312.417 2.927 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H]3CCCN4CCCC[C@@H]34)CC2)ccn1 ZINC000656278439 431352185 /nfs/dbraw/zinc/35/21/85/431352185.db2.gz REKGKERIFOQDIT-MOPGFXCFSA-N 1 3 314.477 2.657 20 0 DFADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000660276660 431355234 /nfs/dbraw/zinc/35/52/34/431355234.db2.gz ROMXXAISLMYMNF-QRVBRYPASA-N 1 3 319.537 2.772 20 0 DFADHO COc1ccc(-c2nc(CNCC[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000666787377 431359057 /nfs/dbraw/zinc/35/90/57/431359057.db2.gz PADQYFFFQORLFJ-ZDUSSCGKSA-N 1 3 317.458 2.908 20 0 DFADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416394 431418614 /nfs/dbraw/zinc/41/86/14/431418614.db2.gz QVMNNFDVXQJOLZ-IAGOWNOFSA-N 1 3 323.525 2.687 20 0 DFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416394 431418619 /nfs/dbraw/zinc/41/86/19/431418619.db2.gz QVMNNFDVXQJOLZ-IAGOWNOFSA-N 1 3 323.525 2.687 20 0 DFADHO C[NH+](C)[C@@H]1CCCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416394 431418625 /nfs/dbraw/zinc/41/86/25/431418625.db2.gz QVMNNFDVXQJOLZ-IAGOWNOFSA-N 1 3 323.525 2.687 20 0 DFADHO COc1cc(CN[C@H]2CC23CC[NH2+]CC3)c(SC)cc1OC ZINC000666952286 431421954 /nfs/dbraw/zinc/42/19/54/431421954.db2.gz OPUNGIOGFVPFTB-INIZCTEOSA-N 1 3 322.474 2.657 20 0 DFADHO CCOc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)cc1OCC ZINC000666952370 431422428 /nfs/dbraw/zinc/42/24/28/431422428.db2.gz TWDNCGSPNUIJRP-QGZVFWFLSA-N 1 3 304.434 2.716 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000666857858 431386241 /nfs/dbraw/zinc/38/62/41/431386241.db2.gz MULBTHSWHHDXPN-GXTWGEPZSA-N 1 3 309.841 2.789 20 0 DFADHO c1cn(-c2csc(CN[C@@H]3CC[NH2+]C4(CCC4)C3)c2)cn1 ZINC000666997061 431437628 /nfs/dbraw/zinc/43/76/28/431437628.db2.gz UUGFLFIXFRUWML-CYBMUJFWSA-N 1 3 302.447 2.698 20 0 DFADHO c1cn(-c2csc(C[NH2+][C@@H]3CCNC4(CCC4)C3)c2)cn1 ZINC000666997061 431437632 /nfs/dbraw/zinc/43/76/32/431437632.db2.gz UUGFLFIXFRUWML-CYBMUJFWSA-N 1 3 302.447 2.698 20 0 DFADHO COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)cc1O ZINC000666993776 431437644 /nfs/dbraw/zinc/43/76/44/431437644.db2.gz IXXHSTRRXSKJPM-GDBMZVCRSA-N 1 3 318.461 2.986 20 0 DFADHO Cn1cc(-c2ccc(C[NH2+][C@@H]3CCNC4(CCC4)C3)s2)cn1 ZINC000666993814 431437679 /nfs/dbraw/zinc/43/76/79/431437679.db2.gz LUJXVBWRGLKNOF-CQSZACIVSA-N 1 3 316.474 2.913 20 0 DFADHO CC[NH2+]Cc1ccccc1NCc1nc2c(s1)CNCC2 ZINC000663492596 431442572 /nfs/dbraw/zinc/44/25/72/431442572.db2.gz AHUYBCDYCVHBDE-UHFFFAOYSA-N 1 3 302.447 2.510 20 0 DFADHO COc1ccc(-c2n[nH]cc2CNCC[C@@H]([NH3+])C(C)C)cc1 ZINC000663498601 431446792 /nfs/dbraw/zinc/44/67/92/431446792.db2.gz PZJSNVUTXWUVMY-MRXNPFEDSA-N 1 3 302.422 2.548 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NCC[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000663504281 431448361 /nfs/dbraw/zinc/44/83/61/431448361.db2.gz YCBFENGMAGWOQG-JKSUJKDBSA-N 1 3 305.466 2.984 20 0 DFADHO COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466045 431430863 /nfs/dbraw/zinc/43/08/63/431430863.db2.gz NIYAZKXSRCSADB-RTBURBONSA-N 1 3 324.509 2.530 20 0 DFADHO COC[C@@H](CC1CCOCC1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466045 431430870 /nfs/dbraw/zinc/43/08/70/431430870.db2.gz NIYAZKXSRCSADB-RTBURBONSA-N 1 3 324.509 2.530 20 0 DFADHO COC[C@@H](CC1CCOCC1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466045 431430877 /nfs/dbraw/zinc/43/08/77/431430877.db2.gz NIYAZKXSRCSADB-RTBURBONSA-N 1 3 324.509 2.530 20 0 DFADHO COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466043 431432417 /nfs/dbraw/zinc/43/24/17/431432417.db2.gz NIYAZKXSRCSADB-OALUTQOASA-N 1 3 324.509 2.530 20 0 DFADHO COC[C@H](CC1CCOCC1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466043 431432425 /nfs/dbraw/zinc/43/24/25/431432425.db2.gz NIYAZKXSRCSADB-OALUTQOASA-N 1 3 324.509 2.530 20 0 DFADHO COC[C@H](CC1CCOCC1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466043 431432434 /nfs/dbraw/zinc/43/24/34/431432434.db2.gz NIYAZKXSRCSADB-OALUTQOASA-N 1 3 324.509 2.530 20 0 DFADHO COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468544 431434247 /nfs/dbraw/zinc/43/42/47/431434247.db2.gz MATGOLHQVBCHJI-PMACEKPBSA-N 1 3 316.489 2.956 20 0 DFADHO CN1CC[C@@]2(CC[N@H+](CCc3ccc4c(c3)OC(F)(F)O4)C2)C1 ZINC000660614791 431516089 /nfs/dbraw/zinc/51/60/89/431516089.db2.gz AFQCWTYFKQLUNH-MRXNPFEDSA-N 1 3 324.371 2.578 20 0 DFADHO CN1CC[C@@]2(CC[N@@H+](CCc3ccc4c(c3)OC(F)(F)O4)C2)C1 ZINC000660614791 431516096 /nfs/dbraw/zinc/51/60/96/431516096.db2.gz AFQCWTYFKQLUNH-MRXNPFEDSA-N 1 3 324.371 2.578 20 0 DFADHO c1cc2c(cc1CN1CCC([C@H]3CCC[NH2+]C3)CC1)OCCO2 ZINC000656784475 431520085 /nfs/dbraw/zinc/52/00/85/431520085.db2.gz DLBFEGQEHDHITJ-KRWDZBQOSA-N 1 3 316.445 2.669 20 0 DFADHO Cc1cccn2c(CN3CCC[C@H](C4CC[NH2+]CC4)C3)cnc12 ZINC000656786288 431523806 /nfs/dbraw/zinc/52/38/06/431523806.db2.gz RVWAUBQTLRIJSY-KRWDZBQOSA-N 1 3 312.461 2.854 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(N)CCCC1 ZINC000656788808 431525997 /nfs/dbraw/zinc/52/59/97/431525997.db2.gz CRMYBHMNIVRPAZ-AWEZNQCLSA-N 1 3 303.450 2.827 20 0 DFADHO CN1C[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)[C@H](c2ccccc2)C1 ZINC000647249266 431527086 /nfs/dbraw/zinc/52/70/86/431527086.db2.gz OJOIFEKUCNTVIU-MOPGFXCFSA-N 1 3 322.456 2.789 20 0 DFADHO C[C@H]1C[C@H]([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)CN1C1CC1 ZINC000647248769 431528377 /nfs/dbraw/zinc/52/83/77/431528377.db2.gz BQRMRHRQAUTDKT-NFBUACBFSA-N 1 3 313.489 2.547 20 0 DFADHO CC[C@@H](c1cccc(OC)c1)[N@H+](C)C[C@H](O)CN(C)C(C)C ZINC000660558415 431491904 /nfs/dbraw/zinc/49/19/04/431491904.db2.gz SOPHBUZPSIMOCX-AEFFLSMTSA-N 1 3 308.466 2.779 20 0 DFADHO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@H](O)CN(C)C(C)C ZINC000660558415 431491908 /nfs/dbraw/zinc/49/19/08/431491908.db2.gz SOPHBUZPSIMOCX-AEFFLSMTSA-N 1 3 308.466 2.779 20 0 DFADHO Cc1ccc2c(c1)C[N@@H+](C[C@@H](O)CN(C)C(C)C)C(C)(C)C2 ZINC000660657957 431536049 /nfs/dbraw/zinc/53/60/49/431536049.db2.gz RUSIQPWDWNLCQJ-SFHVURJKSA-N 1 3 304.478 2.833 20 0 DFADHO Cc1ccc2c(c1)C[N@H+](C[C@@H](O)CN(C)C(C)C)C(C)(C)C2 ZINC000660657957 431536055 /nfs/dbraw/zinc/53/60/55/431536055.db2.gz RUSIQPWDWNLCQJ-SFHVURJKSA-N 1 3 304.478 2.833 20 0 DFADHO O=C([C@@H]1CCC[N@H+](CCCN2CCCC2)C1)N1CCCCCC1 ZINC000366896638 280084053 /nfs/dbraw/zinc/08/40/53/280084053.db2.gz QCGUNAZQTXXXAV-GOSISDBHSA-N 1 3 321.509 2.587 20 0 DFADHO O=C([C@@H]1CCC[N@@H+](CCCN2CCCC2)C1)N1CCCCCC1 ZINC000366896638 280084056 /nfs/dbraw/zinc/08/40/56/280084056.db2.gz QCGUNAZQTXXXAV-GOSISDBHSA-N 1 3 321.509 2.587 20 0 DFADHO C[NH+](C)CCOc1ccc(CNCc2ccc3cncn3c2)cc1 ZINC000656985030 431573508 /nfs/dbraw/zinc/57/35/08/431573508.db2.gz JWRMGWGZNMQYEQ-UHFFFAOYSA-N 1 3 324.428 2.565 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C/C=C\c3ccccc3)C2)C1 ZINC000650706570 431653002 /nfs/dbraw/zinc/65/30/02/431653002.db2.gz NPGSOTCCIONIQN-CFQWGYSBSA-N 1 3 300.446 2.918 20 0 DFADHO CC(C)N1CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657294351 431654993 /nfs/dbraw/zinc/65/49/93/431654993.db2.gz NWHAEGNSWYMFLV-LJQANCHMSA-N 1 3 318.461 2.817 20 0 DFADHO Fc1ccc(COC2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000647518458 431614610 /nfs/dbraw/zinc/61/46/10/431614610.db2.gz KYHBEWNGIVCMMN-MRXNPFEDSA-N 1 3 306.425 2.806 20 0 DFADHO Fc1ccc(COC2CC[NH+](C[C@@H]3CCCNC3)CC2)cc1 ZINC000647518458 431614614 /nfs/dbraw/zinc/61/46/14/431614614.db2.gz KYHBEWNGIVCMMN-MRXNPFEDSA-N 1 3 306.425 2.806 20 0 DFADHO Cc1ccc(-c2nn(C)cc2CN2CCC[C@H](CC[NH3+])C2)o1 ZINC000647535816 431619721 /nfs/dbraw/zinc/61/97/21/431619721.db2.gz RRAWQOKEDRTRIC-CQSZACIVSA-N 1 3 302.422 2.549 20 0 DFADHO COc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1O ZINC000647543880 431623836 /nfs/dbraw/zinc/62/38/36/431623836.db2.gz TVUJASFXAAUPAE-JKSUJKDBSA-N 1 3 304.434 2.612 20 0 DFADHO COc1c(O)cccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543123 431625193 /nfs/dbraw/zinc/62/51/93/431625193.db2.gz HVNCLXWGSZIZCL-HUUCEWRRSA-N 1 3 304.434 2.612 20 0 DFADHO Cc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1F ZINC000650723415 431664626 /nfs/dbraw/zinc/66/46/26/431664626.db2.gz NMEWTXAHXDAVAV-KBAYOESNSA-N 1 3 306.425 2.995 20 0 DFADHO Cc1nc(C)c(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723235 431665524 /nfs/dbraw/zinc/66/55/24/431665524.db2.gz JXZLKMAQSRVQLS-ZNMIVQPWSA-N 1 3 309.479 2.621 20 0 DFADHO C[NH2+]Cc1ccccc1CNCc1ccc(N(C)C(C)C)nc1 ZINC000650720687 431665674 /nfs/dbraw/zinc/66/56/74/431665674.db2.gz YOFDTDQHQDZVJO-UHFFFAOYSA-N 1 3 312.461 2.935 20 0 DFADHO Cc1ccc(F)c(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650723537 431665989 /nfs/dbraw/zinc/66/59/89/431665989.db2.gz PUMMCHHHDPNZAD-JQHSSLGASA-N 1 3 306.425 2.995 20 0 DFADHO Cc1cc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1F ZINC000650722809 431666279 /nfs/dbraw/zinc/66/62/79/431666279.db2.gz BSNNXWFBGPXBSL-CGTJXYLNSA-N 1 3 306.425 2.995 20 0 DFADHO Cc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1F ZINC000650722810 431666933 /nfs/dbraw/zinc/66/69/33/431666933.db2.gz BSNNXWFBGPXBSL-JQHSSLGASA-N 1 3 306.425 2.995 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cnc3n2CCC3)C1 ZINC000657313867 431670460 /nfs/dbraw/zinc/67/04/60/431670460.db2.gz WLQQJASKBBZSGL-IYBDPMFKSA-N 1 3 304.482 2.677 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cnc3n2CCC3)C1 ZINC000657313867 431670465 /nfs/dbraw/zinc/67/04/65/431670465.db2.gz WLQQJASKBBZSGL-IYBDPMFKSA-N 1 3 304.482 2.677 20 0 DFADHO c1nc2n(c1C[NH2+]C[C@H]1CCCN(Cc3ccccc3)C1)CCC2 ZINC000657336275 431682140 /nfs/dbraw/zinc/68/21/40/431682140.db2.gz ZQWCMUVENQDOKW-GOSISDBHSA-N 1 3 324.472 2.831 20 0 DFADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000650758150 431683310 /nfs/dbraw/zinc/68/33/10/431683310.db2.gz KDSFIBGVHINOAH-OAHLLOKOSA-N 1 3 321.428 2.838 20 0 DFADHO COc1cc(F)c([C@H](C)NCCC2CC[NH2+]CC2)cc1OC ZINC000650764174 431685377 /nfs/dbraw/zinc/68/53/77/431685377.db2.gz RPFJVFULRYVTJJ-LBPRGKRZSA-N 1 3 310.413 2.883 20 0 DFADHO CC[C@H]([NH2+]CCc1cn2c(cccc2C)n1)[C@H]1CCCCN1 ZINC000647804239 431693257 /nfs/dbraw/zinc/69/32/57/431693257.db2.gz MGJDLXGAZNOKFC-DLBZAZTESA-N 1 3 300.450 2.696 20 0 DFADHO CC[C@@H]1C[C@@H](NCc2ccc(OCCC[NH+](C)C)cc2)CO1 ZINC000657352669 431697290 /nfs/dbraw/zinc/69/72/90/431697290.db2.gz KNNJGDXSAUPDKJ-IAGOWNOFSA-N 1 3 306.450 2.674 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000664304693 431729119 /nfs/dbraw/zinc/72/91/19/431729119.db2.gz ILQVVIUFDUFBKY-INIZCTEOSA-N 1 3 318.465 2.743 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000664304693 431729124 /nfs/dbraw/zinc/72/91/24/431729124.db2.gz ILQVVIUFDUFBKY-INIZCTEOSA-N 1 3 318.465 2.743 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000647965078 431754143 /nfs/dbraw/zinc/75/41/43/431754143.db2.gz FVJISMNJBLTEAE-IRXDYDNUSA-N 1 3 322.518 2.802 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000647965078 431754149 /nfs/dbraw/zinc/75/41/49/431754149.db2.gz FVJISMNJBLTEAE-IRXDYDNUSA-N 1 3 322.518 2.802 20 0 DFADHO CC(C)N1CCN(CCC[NH+]2CCC(c3ccco3)CC2)CC1 ZINC000661160896 431756996 /nfs/dbraw/zinc/75/69/96/431756996.db2.gz FZFWTWQSOSUGTD-UHFFFAOYSA-N 1 3 319.493 2.875 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000647971998 431760082 /nfs/dbraw/zinc/76/00/82/431760082.db2.gz FSGPIPIQVLUBFW-GUDVDZBRSA-N 1 3 304.478 2.689 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000647971998 431760088 /nfs/dbraw/zinc/76/00/88/431760088.db2.gz FSGPIPIQVLUBFW-GUDVDZBRSA-N 1 3 304.478 2.689 20 0 DFADHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cncc(F)c1 ZINC000657537370 431799784 /nfs/dbraw/zinc/79/97/84/431799784.db2.gz IWHPIFXODMDCPA-AWEZNQCLSA-N 1 3 321.440 2.762 20 0 DFADHO C[C@H](C[NH2+]Cc1ccc(OCCN(C)C)cc1)c1ccccn1 ZINC000657534868 431801035 /nfs/dbraw/zinc/80/10/35/431801035.db2.gz ZQFLSJDAQNHBRZ-MRXNPFEDSA-N 1 3 313.445 2.915 20 0 DFADHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CO1 ZINC000657460522 431766761 /nfs/dbraw/zinc/76/67/61/431766761.db2.gz ZRDYZJGKYBSVOC-IAGOWNOFSA-N 1 3 318.461 2.817 20 0 DFADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCCSC3)CC2)ccn1 ZINC000657613945 431825569 /nfs/dbraw/zinc/82/55/69/431825569.db2.gz YDBKGSWAIIJCEM-QGZVFWFLSA-N 1 3 305.491 2.779 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@H](C)C2 ZINC000180078154 281091483 /nfs/dbraw/zinc/09/14/83/281091483.db2.gz RXUSROOQZHDMNW-UZLBHIALSA-N 1 3 315.505 2.844 20 0 DFADHO Cc1cccc2c1CC[C@@H]2NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000358304384 281269166 /nfs/dbraw/zinc/26/91/66/281269166.db2.gz RWANGIWOKXLHLG-UFYCRDLUSA-N 1 3 314.473 2.950 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000288398152 282011506 /nfs/dbraw/zinc/01/15/06/282011506.db2.gz YOXZSWQTRCSMHL-BBRMVZONSA-N 1 3 323.456 2.711 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000356103468 282024164 /nfs/dbraw/zinc/02/41/64/282024164.db2.gz VEDZIPYRAAMDFB-JKSUJKDBSA-N 1 3 319.493 2.790 20 0 DFADHO C[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000153787973 289060637 /nfs/dbraw/zinc/06/06/37/289060637.db2.gz WRAAFQLGGVWTBY-BBWFWOEESA-N 1 3 323.525 2.828 20 0 DFADHO CC(C)CSCCC[NH+]1CCC(N(C)CCCO)CC1 ZINC000153785005 289060699 /nfs/dbraw/zinc/06/06/99/289060699.db2.gz ODNSXTWYTSGLNQ-UHFFFAOYSA-N 1 3 302.528 2.544 20 0 DFADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000363335388 289078671 /nfs/dbraw/zinc/07/86/71/289078671.db2.gz PLIKQSNIZUPAQK-WMLDXEAASA-N 1 3 323.506 2.587 20 0 DFADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000363335388 289078675 /nfs/dbraw/zinc/07/86/75/289078675.db2.gz PLIKQSNIZUPAQK-WMLDXEAASA-N 1 3 323.506 2.587 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000269003506 289888623 /nfs/dbraw/zinc/88/86/23/289888623.db2.gz PWOALCGTZUHLDT-QZTJIDSGSA-N 1 3 302.462 2.759 20 0 DFADHO C[N@H+]1C[C@H]2CN([C@@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@H]2C1 ZINC000367327500 290289558 /nfs/dbraw/zinc/28/95/58/290289558.db2.gz QVKXPXKZIOHANS-DVOMOZLQSA-N 1 3 304.409 2.921 20 0 DFADHO C[N@@H+]1C[C@H]2CN([C@@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@H]2C1 ZINC000367327500 290289560 /nfs/dbraw/zinc/28/95/60/290289560.db2.gz QVKXPXKZIOHANS-DVOMOZLQSA-N 1 3 304.409 2.921 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000268927108 290444160 /nfs/dbraw/zinc/44/41/60/290444160.db2.gz YDFCDXNHZAQGGP-MRXNPFEDSA-N 1 3 317.477 2.533 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000154371756 295298626 /nfs/dbraw/zinc/29/86/26/295298626.db2.gz NEKMRTYIQDZXMS-VQIMIIECSA-N 1 3 301.478 2.537 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000154409210 295299493 /nfs/dbraw/zinc/29/94/93/295299493.db2.gz DGBXQIRZCGKIEA-MRXNPFEDSA-N 1 3 307.507 2.743 20 0 DFADHO CCC(C)(C)[C@@H]1CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000156978833 295343350 /nfs/dbraw/zinc/34/33/50/295343350.db2.gz SPLWATKZUPWQES-KRWDZBQOSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000158167761 295359491 /nfs/dbraw/zinc/35/94/91/295359491.db2.gz ATFCVZGTJKZFTK-LSDHHAIUSA-N 1 3 317.433 2.636 20 0 DFADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000158167761 295359493 /nfs/dbraw/zinc/35/94/93/295359493.db2.gz ATFCVZGTJKZFTK-LSDHHAIUSA-N 1 3 317.433 2.636 20 0 DFADHO COc1ccccc1CN(C[C@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000178958656 295361559 /nfs/dbraw/zinc/36/15/59/295361559.db2.gz SPSDWUPVZRKLIT-GOSISDBHSA-N 1 3 318.461 2.676 20 0 DFADHO CCC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccccn1 ZINC000158625248 295365308 /nfs/dbraw/zinc/36/53/08/295365308.db2.gz IGLKZIUTZJBOCD-QGZVFWFLSA-N 1 3 304.482 2.540 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000363779690 295443499 /nfs/dbraw/zinc/44/34/99/295443499.db2.gz AYINQAGQQBVCJL-MDYRTPRTSA-N 1 3 313.489 2.678 20 0 DFADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000370339181 295459949 /nfs/dbraw/zinc/45/99/49/295459949.db2.gz GUDXCLMDPIUTLY-SFHVURJKSA-N 1 3 305.510 2.833 20 0 DFADHO CC(C)CC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1CC1 ZINC000374701979 295474401 /nfs/dbraw/zinc/47/44/01/295474401.db2.gz MWGBLJRRLBNSKX-IEBWSBKVSA-N 1 3 307.526 2.959 20 0 DFADHO CC1(C)CC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397492848 295487803 /nfs/dbraw/zinc/48/78/03/295487803.db2.gz MJADPCUOUZPEEQ-KRWDZBQOSA-N 1 3 302.462 2.792 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000438567813 297099017 /nfs/dbraw/zinc/09/90/17/297099017.db2.gz OIZVTBVDGZKFIB-AEFFLSMTSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000438567813 297099020 /nfs/dbraw/zinc/09/90/20/297099020.db2.gz OIZVTBVDGZKFIB-AEFFLSMTSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438565168 297099123 /nfs/dbraw/zinc/09/91/23/297099123.db2.gz BTJJCDXAAYPDOG-RYRKJORJSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438565168 297099124 /nfs/dbraw/zinc/09/91/24/297099124.db2.gz BTJJCDXAAYPDOG-RYRKJORJSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000438565168 297099126 /nfs/dbraw/zinc/09/91/26/297099126.db2.gz BTJJCDXAAYPDOG-RYRKJORJSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000438565168 297099128 /nfs/dbraw/zinc/09/91/28/297099128.db2.gz BTJJCDXAAYPDOG-RYRKJORJSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC000439934749 297141070 /nfs/dbraw/zinc/14/10/70/297141070.db2.gz SGDYYONZWSWZRA-GOSISDBHSA-N 1 3 321.509 2.630 20 0 DFADHO CCc1ccc(CCN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000441262306 297177786 /nfs/dbraw/zinc/17/77/86/297177786.db2.gz VPVRWUWAHFEAEV-XUVXKRRUSA-N 1 3 316.489 2.975 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC000441349996 297180396 /nfs/dbraw/zinc/18/03/96/297180396.db2.gz HCULDVDWCIYKKO-KGLIPLIRSA-N 1 3 321.431 2.723 20 0 DFADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(OC)c1 ZINC000442860746 297208543 /nfs/dbraw/zinc/20/85/43/297208543.db2.gz CNRAKPPXYOHFLW-SFHVURJKSA-N 1 3 319.493 2.762 20 0 DFADHO COc1cc2c(c(CN3CCC[C@H](CC[NH3+])C3)c1)O[C@H](C)C2 ZINC000442922971 297211141 /nfs/dbraw/zinc/21/11/41/297211141.db2.gz LRTNAJXYKYWLPG-ZIAGYGMSSA-N 1 3 304.434 2.579 20 0 DFADHO COc1cc2c(c(CN3CCC[C@@H](CC[NH3+])C3)c1)O[C@@H](C)C2 ZINC000442922965 297211276 /nfs/dbraw/zinc/21/12/76/297211276.db2.gz LRTNAJXYKYWLPG-KBPBESRZSA-N 1 3 304.434 2.579 20 0 DFADHO CC1CCC(N(C(=O)CN2CCC[C@@H](CC[NH3+])C2)C2CC2)CC1 ZINC000443059037 297214111 /nfs/dbraw/zinc/21/41/11/297214111.db2.gz LQDDYMHGTVJBEZ-CGZBRXJRSA-N 1 3 321.509 2.617 20 0 DFADHO CSc1cccc(NC(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443063099 297214398 /nfs/dbraw/zinc/21/43/98/297214398.db2.gz VVALHKWDBHDXMJ-KBPBESRZSA-N 1 3 321.490 2.796 20 0 DFADHO C[C@@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443063430 297214431 /nfs/dbraw/zinc/21/44/31/297214431.db2.gz WOWROYZZXFWDGU-KGLIPLIRSA-N 1 3 323.868 2.578 20 0 DFADHO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)NC1CCN(C2CC2)CC1 ZINC000444659198 297243797 /nfs/dbraw/zinc/24/37/97/297243797.db2.gz CNLTWHRKPNTWPT-QAPCUYQASA-N 1 3 321.509 2.630 20 0 DFADHO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)NC1CCN(C2CC2)CC1 ZINC000444659198 297243798 /nfs/dbraw/zinc/24/37/98/297243798.db2.gz CNLTWHRKPNTWPT-QAPCUYQASA-N 1 3 321.509 2.630 20 0 DFADHO CCc1ccccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000445805325 297267171 /nfs/dbraw/zinc/26/71/71/297267171.db2.gz JKIBWOGBBFIAHW-KRWDZBQOSA-N 1 3 315.505 2.849 20 0 DFADHO CCc1ccccc1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000445805325 297267172 /nfs/dbraw/zinc/26/71/72/297267172.db2.gz JKIBWOGBBFIAHW-KRWDZBQOSA-N 1 3 315.505 2.849 20 0 DFADHO CCc1nn(C)c(CC)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000446885135 297289375 /nfs/dbraw/zinc/28/93/75/297289375.db2.gz UGBALMBPAIAYTD-UHFFFAOYSA-N 1 3 304.482 2.509 20 0 DFADHO CN(CC(O)C[N@H+](C)C[C@H]1CC=CCC1)C[C@H]1CC=CCC1 ZINC000447302073 297299886 /nfs/dbraw/zinc/29/98/86/297299886.db2.gz OHPXUUDSOFCCOO-ROUUACIJSA-N 1 3 306.494 2.924 20 0 DFADHO CN(CC(O)C[N@@H+](C)C[C@H]1CC=CCC1)C[C@H]1CC=CCC1 ZINC000447302073 297299888 /nfs/dbraw/zinc/29/98/88/297299888.db2.gz OHPXUUDSOFCCOO-ROUUACIJSA-N 1 3 306.494 2.924 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000447736634 297315060 /nfs/dbraw/zinc/31/50/60/297315060.db2.gz OANNERPSCWQLAY-DLBZAZTESA-N 1 3 304.478 2.957 20 0 DFADHO C[C@H](Cc1ccoc1)[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000449091363 297403641 /nfs/dbraw/zinc/40/36/41/297403641.db2.gz QBIWNVAEIMMNHI-OAHLLOKOSA-N 1 3 302.418 2.941 20 0 DFADHO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2ccncc2OCCN(C)C)C1 ZINC000449330060 297447381 /nfs/dbraw/zinc/44/73/81/297447381.db2.gz RLDYZLWWDRKEHN-BFYDXBDKSA-N 1 3 305.466 2.936 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@](C)(CC)OC)CC1 ZINC000449479102 297476244 /nfs/dbraw/zinc/47/62/44/297476244.db2.gz UDMRZJQDKPJUCA-IBGZPJMESA-N 1 3 319.493 2.733 20 0 DFADHO CCC[C@@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C(C)(C)C ZINC000451430683 297807757 /nfs/dbraw/zinc/80/77/57/297807757.db2.gz DHUFENANAXFFLI-MRXNPFEDSA-N 1 3 309.498 2.534 20 0 DFADHO C[N@@H+]1CC[C@](O)(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453192368 298070095 /nfs/dbraw/zinc/07/00/95/298070095.db2.gz GKZCHOFCBZVUBS-SJORKVTESA-N 1 3 308.853 2.837 20 0 DFADHO C[N@H+]1CC[C@](O)(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453192368 298070097 /nfs/dbraw/zinc/07/00/97/298070097.db2.gz GKZCHOFCBZVUBS-SJORKVTESA-N 1 3 308.853 2.837 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000453346529 298085734 /nfs/dbraw/zinc/08/57/34/298085734.db2.gz IGRWUSVFGBPREX-KEYYUXOJSA-N 1 3 316.424 2.830 20 0 DFADHO CC(C)OCCOC1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000453349730 298086151 /nfs/dbraw/zinc/08/61/51/298086151.db2.gz HMFMZQNERMUUQZ-UHFFFAOYSA-N 1 3 312.498 2.765 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ccc(C)cn2)[C@@H](C)C1 ZINC000453439150 298095668 /nfs/dbraw/zinc/09/56/68/298095668.db2.gz VWAKJFRWCRNQEN-HKUYNNGSSA-N 1 3 319.493 2.659 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCc2ccc(C)cn2)[C@@H](C)C1 ZINC000453439150 298095670 /nfs/dbraw/zinc/09/56/70/298095670.db2.gz VWAKJFRWCRNQEN-HKUYNNGSSA-N 1 3 319.493 2.659 20 0 DFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000359322118 298585851 /nfs/dbraw/zinc/58/58/51/298585851.db2.gz NCCPRPCLPVDCMR-IAGOWNOFSA-N 1 3 309.498 2.632 20 0 DFADHO CC(C)N1CCC([NH2+][C@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000497047274 300152205 /nfs/dbraw/zinc/15/22/05/300152205.db2.gz QUWWCYREUSNCAS-KRWDZBQOSA-N 1 3 319.449 2.569 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H]3C[N@H+](C)C[C@H]3C)c2)CC1 ZINC000503269217 300219557 /nfs/dbraw/zinc/21/95/57/300219557.db2.gz YJPXWFOTYNNHKC-APWZRJJASA-N 1 3 316.493 2.579 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H]3C[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000503269217 300219560 /nfs/dbraw/zinc/21/95/60/300219560.db2.gz YJPXWFOTYNNHKC-APWZRJJASA-N 1 3 316.493 2.579 20 0 DFADHO C[C@@H]1CCC[N@H+](CCNCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000515964750 300325204 /nfs/dbraw/zinc/32/52/04/300325204.db2.gz OVNOSXCYLOOWSC-CQSZACIVSA-N 1 3 323.868 2.990 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCNCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000515964750 300325207 /nfs/dbraw/zinc/32/52/07/300325207.db2.gz OVNOSXCYLOOWSC-CQSZACIVSA-N 1 3 323.868 2.990 20 0 DFADHO C[C@@H](CNC[C@@H](O)Cc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000516048462 300327539 /nfs/dbraw/zinc/32/75/39/300327539.db2.gz HGGBZWYKTYGQJK-YOEHRIQHSA-N 1 3 310.869 2.565 20 0 DFADHO C[C@@H](C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)CN1CCCC1 ZINC000516048462 300327540 /nfs/dbraw/zinc/32/75/40/300327540.db2.gz HGGBZWYKTYGQJK-YOEHRIQHSA-N 1 3 310.869 2.565 20 0 DFADHO C[C@H](C[NH2+]C[C@H](O)Cc1cccc(Cl)c1)CN1CCCCC1 ZINC000516275109 300337828 /nfs/dbraw/zinc/33/78/28/300337828.db2.gz GYPGXYDXNRDSME-CRAIPNDOSA-N 1 3 324.896 2.955 20 0 DFADHO C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)no1 ZINC000516861494 300364008 /nfs/dbraw/zinc/36/40/08/300364008.db2.gz QHWKOUNODQQUCN-FMKPAKJESA-N 1 3 314.433 2.818 20 0 DFADHO Cn1cncc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000517010016 300376615 /nfs/dbraw/zinc/37/66/15/300376615.db2.gz XNIPPJLVIGTPIM-REPLKXPHSA-N 1 3 324.472 2.748 20 0 DFADHO Cn1cncc1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000517010016 300376618 /nfs/dbraw/zinc/37/66/18/300376618.db2.gz XNIPPJLVIGTPIM-REPLKXPHSA-N 1 3 324.472 2.748 20 0 DFADHO Cn1cncc1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000517010016 300376620 /nfs/dbraw/zinc/37/66/20/300376620.db2.gz XNIPPJLVIGTPIM-REPLKXPHSA-N 1 3 324.472 2.748 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCN1C1CCCC1)[NH+]1CCCCC1 ZINC000530023204 301005302 /nfs/dbraw/zinc/00/53/02/301005302.db2.gz CSZZAZBQRKNRPZ-ROUUACIJSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530214330 301029497 /nfs/dbraw/zinc/02/94/97/301029497.db2.gz XTMXYTPVEVKOLO-KYNGSXCRSA-N 1 3 302.462 2.524 20 0 DFADHO FC(F)(F)c1ncccc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000530219691 301031300 /nfs/dbraw/zinc/03/13/00/301031300.db2.gz HXFIKFUHGUZQFZ-QWHCGFSZSA-N 1 3 313.367 2.922 20 0 DFADHO C[C@H](c1ccc(F)cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238843 301033416 /nfs/dbraw/zinc/03/34/16/301033416.db2.gz DCICDTLOCHVGCN-KDOFPFPSSA-N 1 3 306.425 2.977 20 0 DFADHO c1cc2c(cc1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)OCCNC2 ZINC000530247329 301033739 /nfs/dbraw/zinc/03/37/39/301033739.db2.gz QFKUDZKDNSOUHZ-GVDBMIGSSA-N 1 3 301.434 2.501 20 0 DFADHO CCc1cccc(F)c1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248839 301034071 /nfs/dbraw/zinc/03/40/71/301034071.db2.gz QFPFVHQFBYUZMQ-QGZVFWFLSA-N 1 3 320.452 2.979 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000531686106 301104035 /nfs/dbraw/zinc/10/40/35/301104035.db2.gz DVLGTFNUDPGPPN-SFHVURJKSA-N 1 3 321.896 2.945 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531728170 301106391 /nfs/dbraw/zinc/10/63/91/301106391.db2.gz BVEVPVPHQJXLMQ-ZBFHGGJFSA-N 1 3 303.450 2.644 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)NCC[N@H+]1CC[C@@H](C)C1 ZINC000531728170 301106394 /nfs/dbraw/zinc/10/63/94/301106394.db2.gz BVEVPVPHQJXLMQ-ZBFHGGJFSA-N 1 3 303.450 2.644 20 0 DFADHO COc1cc2c(cc1CN1CCC(C[NH+](C)C)CC1)O[C@H](C)C2 ZINC000534332009 301228790 /nfs/dbraw/zinc/22/87/90/301228790.db2.gz ZNKZPDJLAWUMIE-CQSZACIVSA-N 1 3 318.461 2.792 20 0 DFADHO C[NH+](C)CCCCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000552381214 301690814 /nfs/dbraw/zinc/69/08/14/301690814.db2.gz ANNVLKOLDFJOHX-HNNXBMFYSA-N 1 3 323.506 2.733 20 0 DFADHO COCC1(NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000562771327 302000947 /nfs/dbraw/zinc/00/09/47/302000947.db2.gz VRNNLTDTZJRHHF-INIZCTEOSA-N 1 3 302.462 2.851 20 0 DFADHO CC(=O)N1CC[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC000562960384 302018586 /nfs/dbraw/zinc/01/85/86/302018586.db2.gz OALLJGZKZPLFTK-OIISXLGYSA-N 1 3 301.434 2.591 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(CCc2ncc(C)cc2C)C1 ZINC000563042796 302030021 /nfs/dbraw/zinc/03/00/21/302030021.db2.gz ARHBXVNHZOSRQU-SFHVURJKSA-N 1 3 319.493 2.674 20 0 DFADHO CCOc1ccc(CNCc2ccc(C[NH3+])cc2)cc1OC ZINC000563135825 302040238 /nfs/dbraw/zinc/04/02/38/302040238.db2.gz UVAZLTBHPDRJDX-UHFFFAOYSA-N 1 3 300.402 2.842 20 0 DFADHO CCc1ccccc1[C@H](N)CNC1CC[NH+](CC2CC2)CC1 ZINC000563446006 302073712 /nfs/dbraw/zinc/07/37/12/302073712.db2.gz ARXMHSPAWFULMP-LJQANCHMSA-N 1 3 301.478 2.713 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000564826621 302161678 /nfs/dbraw/zinc/16/16/78/302161678.db2.gz YZWCOCCVLNMAQC-UYHISHBKSA-N 1 3 303.450 2.705 20 0 DFADHO C[C@@H](NCCN1CCc2c(Cl)cccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000564826093 302161828 /nfs/dbraw/zinc/16/18/28/302161828.db2.gz AZNIDCAQGFTLLG-HUUCEWRRSA-N 1 3 321.896 2.676 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCc2cc(Br)ccc2F)C1 ZINC000565491106 302227557 /nfs/dbraw/zinc/22/75/57/302227557.db2.gz NESOZIMVATVTMO-OLZOCXBDSA-N 1 3 315.230 2.990 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCC12CCOCC2 ZINC000565827557 302243932 /nfs/dbraw/zinc/24/39/32/302243932.db2.gz BIXYFYZUJJPSMX-YOEHRIQHSA-N 1 3 303.450 2.849 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(NC(=O)c3cccnc3)cc2)C1 ZINC000566020539 302254325 /nfs/dbraw/zinc/25/43/25/302254325.db2.gz TZYOLWWKXSQHHY-SJLPKXTDSA-N 1 3 324.428 2.693 20 0 DFADHO C[C@H](CNC[C@@H](O)[C@H](C)c1ccccc1)C[NH+]1CCCCC1 ZINC000566107372 302259762 /nfs/dbraw/zinc/25/97/62/302259762.db2.gz JRQWUXYGEFLMPV-ZHALLVOQSA-N 1 3 304.478 2.863 20 0 DFADHO C[C@H](C[NH2+]C[C@@H](O)[C@H](C)c1ccccc1)CN1CCCCC1 ZINC000566107372 302259764 /nfs/dbraw/zinc/25/97/64/302259764.db2.gz JRQWUXYGEFLMPV-ZHALLVOQSA-N 1 3 304.478 2.863 20 0 DFADHO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000566108173 302260111 /nfs/dbraw/zinc/26/01/11/302260111.db2.gz VRTXZBBKTDZWBJ-KRWDZBQOSA-N 1 3 320.477 2.587 20 0 DFADHO C[C@@H](CNCCC(=O)Nc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000566107633 302260262 /nfs/dbraw/zinc/26/02/62/302260262.db2.gz OVXOTQUUZZRBQX-AWEZNQCLSA-N 1 3 323.868 2.990 20 0 DFADHO C[C@@H](C[NH2+]CCC(=O)Nc1ccc(Cl)cc1)CN1CCCC1 ZINC000566107633 302260264 /nfs/dbraw/zinc/26/02/64/302260264.db2.gz OVXOTQUUZZRBQX-AWEZNQCLSA-N 1 3 323.868 2.990 20 0 DFADHO C[C@@H](C[NH2+]C[C@@H](O)CCc1ccccc1)CN1CCCCC1 ZINC000566106369 302260319 /nfs/dbraw/zinc/26/03/19/302260319.db2.gz NSZAWUCLZNBWQE-HKUYNNGSSA-N 1 3 304.478 2.692 20 0 DFADHO C[C@@H](CNC[C@@H](O)CCc1ccccc1)C[NH+]1CCCCC1 ZINC000566106369 302260321 /nfs/dbraw/zinc/26/03/21/302260321.db2.gz NSZAWUCLZNBWQE-HKUYNNGSSA-N 1 3 304.478 2.692 20 0 DFADHO CCOc1ccc(OCCN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000566242031 302269587 /nfs/dbraw/zinc/26/95/87/302269587.db2.gz DYOAYOVFGQVJFT-QGZVFWFLSA-N 1 3 318.461 2.786 20 0 DFADHO Cc1ccncc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000271352353 302294765 /nfs/dbraw/zinc/29/47/65/302294765.db2.gz DLLVJNGZWBOHHS-IXDOHACOSA-N 1 3 305.466 2.930 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCc2cccc(COC3CCOCC3)c2)C1 ZINC000567915075 302398649 /nfs/dbraw/zinc/39/86/49/302398649.db2.gz GFZZWIQCDQGYKB-MSOLQXFVSA-N 1 3 318.461 2.742 20 0 DFADHO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCN(CC)CC1 ZINC000572488979 302665786 /nfs/dbraw/zinc/66/57/86/302665786.db2.gz ODKGMIVAKQXWHK-WBVHZDCISA-N 1 3 309.498 2.535 20 0 DFADHO C[C@H](N[C@H]1CCCN(c2ccccc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000573437025 302704368 /nfs/dbraw/zinc/70/43/68/302704368.db2.gz MCNMHMCBHQAVTA-JYJNAYRXSA-N 1 3 305.441 2.772 20 0 DFADHO C[C@H](NCCN1CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686636 316190495 /nfs/dbraw/zinc/19/04/95/316190495.db2.gz WUECUVXKHWAMCQ-ZWKOTPCHSA-N 1 3 307.526 2.961 20 0 DFADHO C[C@H](NCCN1CCC(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686636 316190500 /nfs/dbraw/zinc/19/05/00/316190500.db2.gz WUECUVXKHWAMCQ-ZWKOTPCHSA-N 1 3 307.526 2.961 20 0 DFADHO C[C@H]1CN(C)CC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000336714984 316299427 /nfs/dbraw/zinc/29/94/27/316299427.db2.gz OLHYFVNNCHZFOC-QFBILLFUSA-N 1 3 301.478 2.581 20 0 DFADHO CCc1cccc(F)c1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414768283 316649113 /nfs/dbraw/zinc/64/91/13/316649113.db2.gz HRXQBEAWYOQDLN-MSOLQXFVSA-N 1 3 306.425 2.716 20 0 DFADHO FC1(F)Oc2cccc(CN3CCC4(CC[NH2+]C4)CC3)c2O1 ZINC000414777163 316651414 /nfs/dbraw/zinc/65/14/14/316651414.db2.gz XTRXCINNTZYDCQ-UHFFFAOYSA-N 1 3 310.344 2.584 20 0 DFADHO COc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1OCC(C)C ZINC000414794761 316660722 /nfs/dbraw/zinc/66/07/22/316660722.db2.gz MCTSXQBCVCRDFE-JKSUJKDBSA-N 1 3 306.450 2.947 20 0 DFADHO COc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000449558003 317044342 /nfs/dbraw/zinc/04/43/42/317044342.db2.gz UJYSNFXFNYJEMX-MQVJKMGUSA-N 1 3 304.434 2.727 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000450497400 317098774 /nfs/dbraw/zinc/09/87/74/317098774.db2.gz CDCTWYTYCUUSFJ-XGXHKWSGSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000450497400 317098777 /nfs/dbraw/zinc/09/87/77/317098777.db2.gz CDCTWYTYCUUSFJ-XGXHKWSGSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000450497400 317098779 /nfs/dbraw/zinc/09/87/79/317098779.db2.gz CDCTWYTYCUUSFJ-XGXHKWSGSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000450497400 317098782 /nfs/dbraw/zinc/09/87/82/317098782.db2.gz CDCTWYTYCUUSFJ-XGXHKWSGSA-N 1 3 302.462 2.567 20 0 DFADHO CN(CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)Cc1ccccc1 ZINC000450499281 317099605 /nfs/dbraw/zinc/09/96/05/317099605.db2.gz IYQPYLPEAQIUTK-MOPGFXCFSA-N 1 3 301.478 2.535 20 0 DFADHO CN(CCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)Cc1ccccc1 ZINC000450499281 317099609 /nfs/dbraw/zinc/09/96/09/317099609.db2.gz IYQPYLPEAQIUTK-MOPGFXCFSA-N 1 3 301.478 2.535 20 0 DFADHO C[C@H](Cc1cnccn1)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000453146611 317164974 /nfs/dbraw/zinc/16/49/74/317164974.db2.gz XIIUPJZVMXUQFX-SJORKVTESA-N 1 3 312.461 2.908 20 0 DFADHO C[C@H](Cc1cnccn1)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000453146611 317164976 /nfs/dbraw/zinc/16/49/76/317164976.db2.gz XIIUPJZVMXUQFX-SJORKVTESA-N 1 3 312.461 2.908 20 0 DFADHO CC(C)OCCOC1CCN([C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000453354431 317179702 /nfs/dbraw/zinc/17/97/02/317179702.db2.gz JSCXVVDDUVRRLA-DLBZAZTESA-N 1 3 310.482 2.519 20 0 DFADHO CC(C)OCCOC1CCN([C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000453354431 317179706 /nfs/dbraw/zinc/17/97/06/317179706.db2.gz JSCXVVDDUVRRLA-DLBZAZTESA-N 1 3 310.482 2.519 20 0 DFADHO C[C@H]([NH2+][C@H]1COCC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000453386859 317182034 /nfs/dbraw/zinc/18/20/34/317182034.db2.gz WBQJWUTVLTZAHL-YOEHRIQHSA-N 1 3 306.450 2.703 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@@H]2C)[C@H]1SC ZINC000459366794 317323255 /nfs/dbraw/zinc/32/32/55/317323255.db2.gz BVNWLERQTYLERZ-CAOSSQGBSA-N 1 3 300.512 2.750 20 0 DFADHO CCN(CCC[NH+](CC)CC)C(=O)c1ccccc1CN(C)C ZINC000487433886 317345291 /nfs/dbraw/zinc/34/52/91/317345291.db2.gz ROFNOCLTQNSZBC-UHFFFAOYSA-N 1 3 319.493 2.942 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488414217 317390978 /nfs/dbraw/zinc/39/09/78/317390978.db2.gz NEFPXGAROYVWGL-HOTGVXAUSA-N 1 3 313.555 2.524 20 0 DFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000488420570 317391676 /nfs/dbraw/zinc/39/16/76/317391676.db2.gz WQMITKBMFNWGPN-APWZRJJASA-N 1 3 301.478 2.570 20 0 DFADHO C[C@@H]1CCCC[C@H]1OCCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240388 317777856 /nfs/dbraw/zinc/77/78/56/317777856.db2.gz LJBRNJPLNMWBPG-BHIYHBOVSA-N 1 3 324.509 2.672 20 0 DFADHO CC[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000530641362 317786324 /nfs/dbraw/zinc/78/63/24/317786324.db2.gz LZWWLELJVIVFDV-QGZVFWFLSA-N 1 3 319.493 2.522 20 0 DFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2scnc2C2CC2)CC1 ZINC000565468151 317921705 /nfs/dbraw/zinc/92/17/05/317921705.db2.gz AAPDFDXCVILIIQ-YOEHRIQHSA-N 1 3 321.490 2.739 20 0 DFADHO C[C@@H](CNC(=O)c1ccccc1CN(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000572787439 318003755 /nfs/dbraw/zinc/00/37/55/318003755.db2.gz UHJRHLNEQCHJPS-HOTGVXAUSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@@H](CNC(=O)c1ccccc1CN(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000572787439 318003757 /nfs/dbraw/zinc/00/37/57/318003757.db2.gz UHJRHLNEQCHJPS-HOTGVXAUSA-N 1 3 317.477 2.598 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](Nc2cccc(CN3CCSCC3)c2)C1 ZINC000573020617 318011382 /nfs/dbraw/zinc/01/13/82/318011382.db2.gz QFOFADKFNXEACE-WBVHZDCISA-N 1 3 305.491 2.917 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H](N)C2)cc1OC ZINC000573385701 318017426 /nfs/dbraw/zinc/01/74/26/318017426.db2.gz GJHOOHORHKVIEI-HUUCEWRRSA-N 1 3 306.450 2.841 20 0 DFADHO COc1ccc(C(C)(C)CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000573385701 318017427 /nfs/dbraw/zinc/01/74/27/318017427.db2.gz GJHOOHORHKVIEI-HUUCEWRRSA-N 1 3 306.450 2.841 20 0 DFADHO COc1nc2ccccc2cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000575123458 318064796 /nfs/dbraw/zinc/06/47/96/318064796.db2.gz IHYIIQUALZJBMA-UHFFFAOYSA-N 1 3 311.429 2.819 20 0 DFADHO C[C@H](CCc1ccco1)[NH2+]Cc1ccncc1OCCN(C)C ZINC000575158087 318067609 /nfs/dbraw/zinc/06/76/09/318067609.db2.gz UMPBMVQYHYPARE-OAHLLOKOSA-N 1 3 317.433 2.726 20 0 DFADHO C[C@@H](CCNC(=O)Nc1ccc2c(c1)CNC2)[NH+]1CCCCC1 ZINC000575775148 318082819 /nfs/dbraw/zinc/08/28/19/318082819.db2.gz AOWWCJSXJUVSDY-AWEZNQCLSA-N 1 3 316.449 2.676 20 0 DFADHO CC(C)[NH+](CCCNC(=O)C[C@H](N)Cc1ccccc1)C(C)C ZINC000577748576 318214735 /nfs/dbraw/zinc/21/47/35/318214735.db2.gz GONJNUXHLNKXPY-GOSISDBHSA-N 1 3 319.493 2.572 20 0 DFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000578127171 318239390 /nfs/dbraw/zinc/23/93/90/318239390.db2.gz GGKYFOBNEQLAOF-KZNAEPCWSA-N 1 3 320.477 2.506 20 0 DFADHO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000578832263 318287487 /nfs/dbraw/zinc/28/74/87/318287487.db2.gz JSXIIOQWNXFGLT-QXCZDIPSSA-N 1 3 300.446 2.664 20 0 DFADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CCCC12CC2 ZINC000579252980 318318337 /nfs/dbraw/zinc/31/83/37/318318337.db2.gz IJWJCXXMNCIBSZ-KRWDZBQOSA-N 1 3 303.450 2.834 20 0 DFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CCCC12CC2 ZINC000579252981 318318446 /nfs/dbraw/zinc/31/84/46/318318446.db2.gz IJWJCXXMNCIBSZ-QGZVFWFLSA-N 1 3 303.450 2.834 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000579258214 318318878 /nfs/dbraw/zinc/31/88/78/318318878.db2.gz GCLFOHVBAGTAAD-AOIWGVFYSA-N 1 3 319.493 2.936 20 0 DFADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000580168830 318380241 /nfs/dbraw/zinc/38/02/41/318380241.db2.gz MMUVJXXRMMWEIL-FMKPAKJESA-N 1 3 300.450 2.991 20 0 DFADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCCC[C@H]1CN ZINC000580168833 318380556 /nfs/dbraw/zinc/38/05/56/318380556.db2.gz MMUVJXXRMMWEIL-YCPHGPKFSA-N 1 3 300.450 2.991 20 0 DFADHO COc1cncc(/C=C\CC[N@@H+]2CC[C@H](CN3CCCC3)C2)c1 ZINC000580307324 323367655 /nfs/dbraw/zinc/36/76/55/323367655.db2.gz MOSPNLWSCWNLNH-VGLFAYCPSA-N 1 3 315.461 2.911 20 0 DFADHO COc1cncc(/C=C\CC[N@H+]2CC[C@H](CN3CCCC3)C2)c1 ZINC000580307324 323367659 /nfs/dbraw/zinc/36/76/59/323367659.db2.gz MOSPNLWSCWNLNH-VGLFAYCPSA-N 1 3 315.461 2.911 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1ccc(OC2CCCCC2)nc1 ZINC000581542624 323537779 /nfs/dbraw/zinc/53/77/79/323537779.db2.gz UZCPUXPCMGLJEE-MRXNPFEDSA-N 1 3 321.465 2.637 20 0 DFADHO CCN1CCN(c2ccccc2N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000582295398 323647189 /nfs/dbraw/zinc/64/71/89/323647189.db2.gz HBXUDVRCLQLLJC-IAGOWNOFSA-N 1 3 316.493 2.629 20 0 DFADHO Cn1ncc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc21 ZINC000584404627 337319828 /nfs/dbraw/zinc/31/98/28/337319828.db2.gz CUJFYMQPOZTUOC-FGTMMUONSA-N 1 3 312.461 2.974 20 0 DFADHO CN(CC1CC[NH+](C)CC1)C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000584616953 337373028 /nfs/dbraw/zinc/37/30/28/337373028.db2.gz QQTVJPQUCAMJJI-QGZVFWFLSA-N 1 3 317.477 2.513 20 0 DFADHO C[C@@H]1CCN(CCCc2nc(-c3cccs3)no2)C[C@@H]1C[NH3+] ZINC000318004467 534030005 /nfs/dbraw/zinc/03/00/05/534030005.db2.gz GWIWZSAYEDEGOT-OLZOCXBDSA-N 1 3 320.462 2.647 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414825152 518181942 /nfs/dbraw/zinc/18/19/42/518181942.db2.gz SBCOLSFKDOFBSG-YCPHGPKFSA-N 1 3 304.434 2.714 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CC12CC2 ZINC000527907423 518183108 /nfs/dbraw/zinc/18/31/08/518183108.db2.gz HYIXBQOPTOCLHO-WMZOPIPTSA-N 1 3 314.473 2.792 20 0 DFADHO C(C[NH2+]C1CCN(C2CCCCC2)CC1)COC[C@H]1CCOC1 ZINC000158078824 518391242 /nfs/dbraw/zinc/39/12/42/518391242.db2.gz NWVYOPQZGRCPDK-QGZVFWFLSA-N 1 3 324.509 2.816 20 0 DFADHO C(CNC1CC[NH+](C2CCCCC2)CC1)COC[C@H]1CCOC1 ZINC000158078824 518391250 /nfs/dbraw/zinc/39/12/50/518391250.db2.gz NWVYOPQZGRCPDK-QGZVFWFLSA-N 1 3 324.509 2.816 20 0 DFADHO CCCC[C@H](N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000154563788 521207075 /nfs/dbraw/zinc/20/70/75/521207075.db2.gz YXVFSHFYSJLPQO-QAPCUYQASA-N 1 3 317.477 2.846 20 0 DFADHO CCC[C@](C)(N)C(=O)NC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000365006410 521275434 /nfs/dbraw/zinc/27/54/34/521275434.db2.gz FJKZHVISKSMAPC-SUMDDJOVSA-N 1 3 317.477 2.531 20 0 DFADHO CCC[C@](C)(N)C(=O)NC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000365006410 521275442 /nfs/dbraw/zinc/27/54/42/521275442.db2.gz FJKZHVISKSMAPC-SUMDDJOVSA-N 1 3 317.477 2.531 20 0 DFADHO Cc1cnc(CNCCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000294949454 534557480 /nfs/dbraw/zinc/55/74/80/534557480.db2.gz FJAUDGDVWCXGTA-UHFFFAOYSA-N 1 3 319.474 2.724 20 0 DFADHO CCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000158071988 521665397 /nfs/dbraw/zinc/66/53/97/521665397.db2.gz BBYBXGPAZPFMLD-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO [NH3+]CCCOC1CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000321317334 534618208 /nfs/dbraw/zinc/61/82/08/534618208.db2.gz DXIPWINIQYTNTH-UHFFFAOYSA-N 1 3 317.408 2.704 20 0 DFADHO CN(C(=[NH2+])NCC1CCN(Cc2ccccc2F)CC1)C1CC1 ZINC000364270513 523772342 /nfs/dbraw/zinc/77/23/42/523772342.db2.gz NJPRDMDNWDQUOC-UHFFFAOYSA-N 1 3 318.440 2.656 20 0 DFADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000367617319 524086024 /nfs/dbraw/zinc/08/60/24/524086024.db2.gz QIKALVPLUXDERH-BZUAXINKSA-N 1 3 304.434 2.666 20 0 DFADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000367617319 524086029 /nfs/dbraw/zinc/08/60/29/524086029.db2.gz QIKALVPLUXDERH-BZUAXINKSA-N 1 3 304.434 2.666 20 0 DFADHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000367617319 524086035 /nfs/dbraw/zinc/08/60/35/524086035.db2.gz QIKALVPLUXDERH-BZUAXINKSA-N 1 3 304.434 2.666 20 0 DFADHO Cc1cc(C)n(C[C@@H]2CCCCN2CC[C@H]2CCC[N@H+]2C)n1 ZINC000371205842 524532005 /nfs/dbraw/zinc/53/20/05/524532005.db2.gz VMJJALJREMXLAV-MSOLQXFVSA-N 1 3 304.482 2.839 20 0 DFADHO Cc1cc(C)n(C[C@@H]2CCCCN2CC[C@H]2CCC[N@@H+]2C)n1 ZINC000371205842 524532014 /nfs/dbraw/zinc/53/20/14/524532014.db2.gz VMJJALJREMXLAV-MSOLQXFVSA-N 1 3 304.482 2.839 20 0 DFADHO C[N@@H+]1CC[C@](O)(CN[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000358247060 536481944 /nfs/dbraw/zinc/48/19/44/536481944.db2.gz HKNIYCHDYMSUSB-MSOLQXFVSA-N 1 3 306.425 2.713 20 0 DFADHO C[N@H+]1CC[C@](O)(CN[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000358247060 536481947 /nfs/dbraw/zinc/48/19/47/536481947.db2.gz HKNIYCHDYMSUSB-MSOLQXFVSA-N 1 3 306.425 2.713 20 0 DFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C2(N)CCC2)c1 ZINC000294697533 528394842 /nfs/dbraw/zinc/39/48/42/528394842.db2.gz CDURWOTUSOICFZ-UHFFFAOYSA-N 1 3 317.477 2.806 20 0 DFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2(N)CCC2)c1 ZINC000294697533 528394850 /nfs/dbraw/zinc/39/48/50/528394850.db2.gz CDURWOTUSOICFZ-UHFFFAOYSA-N 1 3 317.477 2.806 20 0 DFADHO CCC[C@](C)(N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309886329 528464401 /nfs/dbraw/zinc/46/44/01/528464401.db2.gz LGPLEXWDAXCVNF-MJGOQNOKSA-N 1 3 317.477 2.532 20 0 DFADHO CCC[C@](C)(N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309886329 528464406 /nfs/dbraw/zinc/46/44/06/528464406.db2.gz LGPLEXWDAXCVNF-MJGOQNOKSA-N 1 3 317.477 2.532 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)N(C)C)cc1)C(C)C ZINC000299610119 528774702 /nfs/dbraw/zinc/77/47/02/528774702.db2.gz OJMFUXPOFSVAMM-HNNXBMFYSA-N 1 3 305.466 2.597 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)N(C)C)cc1)C(C)C ZINC000299610119 528774706 /nfs/dbraw/zinc/77/47/06/528774706.db2.gz OJMFUXPOFSVAMM-HNNXBMFYSA-N 1 3 305.466 2.597 20 0 DFADHO CCCC[C@H](COC)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000305765278 528967088 /nfs/dbraw/zinc/96/70/88/528967088.db2.gz DBYWXPDKMYWNPB-FGTMMUONSA-N 1 3 312.498 2.549 20 0 DFADHO CC(C)[N@@H+]1CCCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000297632881 529009159 /nfs/dbraw/zinc/00/91/59/529009159.db2.gz HYZVHAKIZXURQO-LJQANCHMSA-N 1 3 301.478 2.677 20 0 DFADHO CC(C)[N@H+]1CCCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000297632881 529009163 /nfs/dbraw/zinc/00/91/63/529009163.db2.gz HYZVHAKIZXURQO-LJQANCHMSA-N 1 3 301.478 2.677 20 0 DFADHO CC1(C)CC[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000294920979 529048476 /nfs/dbraw/zinc/04/84/76/529048476.db2.gz BLQVRXMZPXZMRJ-ROUUACIJSA-N 1 3 302.462 2.922 20 0 DFADHO CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000236805054 535043962 /nfs/dbraw/zinc/04/39/62/535043962.db2.gz XWSXFRRQTBGNFJ-LSDHHAIUSA-N 1 3 311.495 2.765 20 0 DFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2C[C@@H](C)CCN2)cc1 ZINC000261834827 535606373 /nfs/dbraw/zinc/60/63/73/535606373.db2.gz IHIYHHSULXZCGM-MAUKXSAKSA-N 1 3 317.477 2.533 20 0 DFADHO CC[C@H](C)[C@@H](C)N(CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000358197878 535825322 /nfs/dbraw/zinc/82/53/22/535825322.db2.gz ONAVALFEURKSSZ-JKSUJKDBSA-N 1 3 323.525 2.874 20 0 DFADHO CN(C)CCOc1cccc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000261668949 535914161 /nfs/dbraw/zinc/91/41/61/535914161.db2.gz HAPOHUNFOXXFFV-GBESFXJTSA-N 1 3 317.477 2.960 20 0 DFADHO C[NH2+][C@@H](C)Cc1noc([C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000261773191 536350194 /nfs/dbraw/zinc/35/01/94/536350194.db2.gz NINLKSZHESULEN-GOEBONIOSA-N 1 3 314.433 2.600 20 0 DFADHO C[NH+](C)CCOc1ccc(CN2CCOCC3(CCC3)C2)cc1 ZINC000680650177 545524688 /nfs/dbraw/zinc/52/46/88/545524688.db2.gz BUXJRLFGZQGWNZ-UHFFFAOYSA-N 1 3 318.461 2.630 20 0 DFADHO CC(C)(CN[C@H]1CCN(c2ccccc2)C1)C[NH+]1CCCC1 ZINC000682917229 545940748 /nfs/dbraw/zinc/94/07/48/545940748.db2.gz XCGAKKQKVJRQIL-KRWDZBQOSA-N 1 3 301.478 2.977 20 0 DFADHO CC(C)(C[NH2+][C@H]1CCN(c2ccccc2)C1)CN1CCCC1 ZINC000682917229 545940754 /nfs/dbraw/zinc/94/07/54/545940754.db2.gz XCGAKKQKVJRQIL-KRWDZBQOSA-N 1 3 301.478 2.977 20 0 DFADHO C[NH+]1CCC(N2CC[C@H](NCc3ccsc3Cl)C2)CC1 ZINC000682943419 545945271 /nfs/dbraw/zinc/94/52/71/545945271.db2.gz VXPQMKGBPSIHSI-ZDUSSCGKSA-N 1 3 313.898 2.660 20 0 DFADHO C[C@@H]1C[N@H+](CCCNCc2cccc3cnccc32)CCCO1 ZINC000683343914 546015948 /nfs/dbraw/zinc/01/59/48/546015948.db2.gz BUEYEKRXXJZTKR-MRXNPFEDSA-N 1 3 313.445 2.825 20 0 DFADHO C[C@@H]1C[N@@H+](CCCNCc2cccc3cnccc32)CCCO1 ZINC000683343914 546015952 /nfs/dbraw/zinc/01/59/52/546015952.db2.gz BUEYEKRXXJZTKR-MRXNPFEDSA-N 1 3 313.445 2.825 20 0 DFADHO CO[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCCN(C)C)c2)C1 ZINC000684371125 546202184 /nfs/dbraw/zinc/20/21/84/546202184.db2.gz LBWZOIBMNSOPCO-IRXDYDNUSA-N 1 3 306.450 2.674 20 0 DFADHO CO[C@@]1(C)CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000684410909 546212316 /nfs/dbraw/zinc/21/23/16/546212316.db2.gz COWGWNVFORFLGA-SFHVURJKSA-N 1 3 306.450 2.628 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)CC(C)(C)c1ccccc1 ZINC000685475856 546358982 /nfs/dbraw/zinc/35/89/82/546358982.db2.gz QRAKCRLSGXTIIV-UHFFFAOYSA-N 1 3 305.510 2.780 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)CC(C)(C)c1ccccc1 ZINC000685475856 546358986 /nfs/dbraw/zinc/35/89/86/546358986.db2.gz QRAKCRLSGXTIIV-UHFFFAOYSA-N 1 3 305.510 2.780 20 0 DFADHO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000685477482 546359427 /nfs/dbraw/zinc/35/94/27/546359427.db2.gz LMXAIBAERCZQOJ-LJQANCHMSA-N 1 3 320.477 2.612 20 0 DFADHO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000685477482 546359429 /nfs/dbraw/zinc/35/94/29/546359429.db2.gz LMXAIBAERCZQOJ-LJQANCHMSA-N 1 3 320.477 2.612 20 0 DFADHO Cc1nc2ccccc2n1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261818067 282079732 /nfs/dbraw/zinc/07/97/32/282079732.db2.gz WJGNDXBQYHBUPG-BRWVUGGUSA-N 1 3 312.461 2.855 20 0 DFADHO CCOc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1F ZINC000278505450 214198830 /nfs/dbraw/zinc/19/88/30/214198830.db2.gz OEKQQEUGZNDFPP-UHFFFAOYSA-N 1 3 324.440 2.549 20 0 DFADHO CN(CCN1CCC[C@@H]([NH+](C)C)CC1)Cc1ccc(F)cc1 ZINC000375945885 282187701 /nfs/dbraw/zinc/18/77/01/282187701.db2.gz HBVJGACMIQWACN-GOSISDBHSA-N 1 3 307.457 2.674 20 0 DFADHO CCc1oc2ccccc2c1CNC1CC[NH+](CCO)CC1 ZINC000591909216 398351063 /nfs/dbraw/zinc/35/10/63/398351063.db2.gz WDACDZQFWZDHBI-UHFFFAOYSA-N 1 3 302.418 2.542 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](N)CC(C)C ZINC000236908805 398365286 /nfs/dbraw/zinc/36/52/86/398365286.db2.gz VUIPFGMWGLIQLP-QGZVFWFLSA-N 1 3 305.466 2.518 20 0 DFADHO C[NH+]1CCC(N2CCC(NC(=O)CC3CCCCC3)CC2)CC1 ZINC000050801629 425882391 /nfs/dbraw/zinc/88/23/91/425882391.db2.gz ZPVGQFDMTVIWJK-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@H](C)C[NH+]2CCCCC2)[C@@H]1SC ZINC000459387735 299093705 /nfs/dbraw/zinc/09/37/05/299093705.db2.gz JWVUMFRUWRDQNS-JONQDZQNSA-N 1 3 300.512 2.607 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN2CCCCC2)[C@@H]1SC ZINC000459387735 299093707 /nfs/dbraw/zinc/09/37/07/299093707.db2.gz JWVUMFRUWRDQNS-JONQDZQNSA-N 1 3 300.512 2.607 20 0 DFADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459407939 299098996 /nfs/dbraw/zinc/09/89/96/299098996.db2.gz WFQFWIBEPQHOJN-AWEZNQCLSA-N 1 3 319.449 2.760 20 0 DFADHO CC(C)(C)OC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000592379375 398418987 /nfs/dbraw/zinc/41/89/87/398418987.db2.gz MNTKZLDTDJXLBL-QXSJWSMHSA-N 1 3 308.466 2.713 20 0 DFADHO CC(C)(C)OC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000592379375 398418988 /nfs/dbraw/zinc/41/89/88/398418988.db2.gz MNTKZLDTDJXLBL-QXSJWSMHSA-N 1 3 308.466 2.713 20 0 DFADHO COC(=O)c1cccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433658 398425311 /nfs/dbraw/zinc/42/53/11/398425311.db2.gz OBQCAKCFLCEMDL-QZTJIDSGSA-N 1 3 316.445 2.685 20 0 DFADHO CN(CCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000309750643 529889399 /nfs/dbraw/zinc/88/93/99/529889399.db2.gz ZFUOZGFDOBPDCR-ROUUACIJSA-N 1 3 317.477 2.532 20 0 DFADHO COc1ccc(C)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000067452856 398435734 /nfs/dbraw/zinc/43/57/34/398435734.db2.gz LZSURZYEZWKVQT-IAGOWNOFSA-N 1 3 320.477 2.983 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]1SC ZINC000592528890 398443661 /nfs/dbraw/zinc/44/36/61/398443661.db2.gz NHBHSIJGCNMAQD-ZACQAIPSSA-N 1 3 321.490 2.549 20 0 DFADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccc(F)cc3)C2)C1 ZINC000292999381 530059520 /nfs/dbraw/zinc/05/95/20/530059520.db2.gz OSDGZZLKMBEOFE-GOSISDBHSA-N 1 3 319.424 2.572 20 0 DFADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccc(F)cc3)C2)C1 ZINC000292999381 530059521 /nfs/dbraw/zinc/05/95/21/530059521.db2.gz OSDGZZLKMBEOFE-GOSISDBHSA-N 1 3 319.424 2.572 20 0 DFADHO COc1ccc(OCCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047972734 282380112 /nfs/dbraw/zinc/38/01/12/282380112.db2.gz MAKBQOPIVNAZDC-UHFFFAOYSA-N 1 3 318.461 2.882 20 0 DFADHO C(C[NH2+]C1CCN(C2CCCCC2)CC1)COC1CCOCC1 ZINC000090083544 398478664 /nfs/dbraw/zinc/47/86/64/398478664.db2.gz GEXJPHAUBJQUNW-UHFFFAOYSA-N 1 3 324.509 2.959 20 0 DFADHO C(CNC1CC[NH+](C2CCCCC2)CC1)COC1CCOCC1 ZINC000090083544 398478667 /nfs/dbraw/zinc/47/86/67/398478667.db2.gz GEXJPHAUBJQUNW-UHFFFAOYSA-N 1 3 324.509 2.959 20 0 DFADHO COc1ccccc1OCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000051907938 282398909 /nfs/dbraw/zinc/39/89/09/282398909.db2.gz NZBAMWAKJMORLQ-UHFFFAOYSA-N 1 3 318.461 2.882 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCOCc2cccc(OC)c2)[C@H](C)C1 ZINC000090806496 398493173 /nfs/dbraw/zinc/49/31/73/398493173.db2.gz ZOEFIKPFZWHDSI-CRAIPNDOSA-N 1 3 306.450 2.532 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCOCc2cccc(OC)c2)[C@H](C)C1 ZINC000090806496 398493175 /nfs/dbraw/zinc/49/31/75/398493175.db2.gz ZOEFIKPFZWHDSI-CRAIPNDOSA-N 1 3 306.450 2.532 20 0 DFADHO C[C@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000090911313 398496831 /nfs/dbraw/zinc/49/68/31/398496831.db2.gz SULWTAPPARYECR-YCPHGPKFSA-N 1 3 314.433 2.770 20 0 DFADHO C[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000090911313 398496834 /nfs/dbraw/zinc/49/68/34/398496834.db2.gz SULWTAPPARYECR-YCPHGPKFSA-N 1 3 314.433 2.770 20 0 DFADHO C[C@H](CCO)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000272705148 210109768 /nfs/dbraw/zinc/10/97/68/210109768.db2.gz UAYMNQAZOVREFG-XGXHKWSGSA-N 1 3 302.462 2.648 20 0 DFADHO C[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccncc1F ZINC000459533022 299127394 /nfs/dbraw/zinc/12/73/94/299127394.db2.gz DWWWRXUZDRJGII-ZDUSSCGKSA-N 1 3 300.381 2.935 20 0 DFADHO CC(=O)Nc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000181941510 199366107 /nfs/dbraw/zinc/36/61/07/199366107.db2.gz FEJCJNXPBMIXIG-ZFWWWQNUSA-N 1 3 301.434 2.780 20 0 DFADHO CC(=O)Nc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000181941510 199366109 /nfs/dbraw/zinc/36/61/09/199366109.db2.gz FEJCJNXPBMIXIG-ZFWWWQNUSA-N 1 3 301.434 2.780 20 0 DFADHO CC(C)=CCC[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414206321 295777752 /nfs/dbraw/zinc/77/77/52/295777752.db2.gz YFKTWPVUBDMOIU-SFHVURJKSA-N 1 3 323.525 2.508 20 0 DFADHO COC(=O)c1oc(CNCCCC[NH+]2CCC(C)CC2)cc1C ZINC000597047836 398554598 /nfs/dbraw/zinc/55/45/98/398554598.db2.gz QYTQBSHLYBJNHG-UHFFFAOYSA-N 1 3 322.449 2.976 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2[nH]nc3ccccc32)C[C@H](C)O1 ZINC000589646237 398568489 /nfs/dbraw/zinc/56/84/89/398568489.db2.gz QOTGSGBIJBACFD-GASCZTMLSA-N 1 3 316.449 2.542 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cccc(OCCN(C)C)c1 ZINC000414330850 295788745 /nfs/dbraw/zinc/78/87/45/295788745.db2.gz FGHZHPGCLBKDOG-BQFCYCMXSA-N 1 3 320.477 2.829 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000279981888 215287759 /nfs/dbraw/zinc/28/77/59/215287759.db2.gz VCRBBUNYVOXFSN-UHFFFAOYSA-N 1 3 315.461 2.870 20 0 DFADHO CCOC(=O)[C@]1(C)CCC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000597240508 398602730 /nfs/dbraw/zinc/60/27/30/398602730.db2.gz OOOFSWURMSDAGV-CRAIPNDOSA-N 1 3 310.482 2.961 20 0 DFADHO CCOC(=O)[C@]1(C)CCC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000597240509 398603012 /nfs/dbraw/zinc/60/30/12/398603012.db2.gz OOOFSWURMSDAGV-MAUKXSAKSA-N 1 3 310.482 2.961 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)CCN1C ZINC000155663714 186100701 /nfs/dbraw/zinc/10/07/01/186100701.db2.gz CCBQFJKZWRUCTL-VQIMIIECSA-N 1 3 315.505 2.896 20 0 DFADHO C[C@@H](NCC1=CCCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000287176971 219361444 /nfs/dbraw/zinc/36/14/44/219361444.db2.gz UYODLAJWUIWKBP-OAHLLOKOSA-N 1 3 304.434 2.624 20 0 DFADHO CCC[N@H+](CC)CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000175701606 186189764 /nfs/dbraw/zinc/18/97/64/186189764.db2.gz TVEKZWZHCNOKRZ-UHFFFAOYSA-N 1 3 306.454 2.602 20 0 DFADHO CCC[N@@H+](CC)CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000175701606 186189765 /nfs/dbraw/zinc/18/97/65/186189765.db2.gz TVEKZWZHCNOKRZ-UHFFFAOYSA-N 1 3 306.454 2.602 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000590658600 398647405 /nfs/dbraw/zinc/64/74/05/398647405.db2.gz UOOGCOMDGBYESH-HPBDAGMYSA-N 1 3 322.493 2.961 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000590658600 398647409 /nfs/dbraw/zinc/64/74/09/398647409.db2.gz UOOGCOMDGBYESH-HPBDAGMYSA-N 1 3 322.493 2.961 20 0 DFADHO Cc1cccc(CN2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414672568 295814327 /nfs/dbraw/zinc/81/43/27/295814327.db2.gz ATNFYYRQSHVZBI-PKOBYXMFSA-N 1 3 301.478 2.501 20 0 DFADHO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268754006 186379892 /nfs/dbraw/zinc/37/98/92/186379892.db2.gz YVZKTEUGQFDVQA-MISYRCLQSA-N 1 3 315.505 2.971 20 0 DFADHO CCN(CC)c1ncc(CNCC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000459732054 299176017 /nfs/dbraw/zinc/17/60/17/299176017.db2.gz LZTXTJTXXWIIGY-AWEZNQCLSA-N 1 3 310.511 2.811 20 0 DFADHO CCN(CC)c1ncc(CNCC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000459732054 299176019 /nfs/dbraw/zinc/17/60/19/299176019.db2.gz LZTXTJTXXWIIGY-AWEZNQCLSA-N 1 3 310.511 2.811 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCN(C)CC(C)C)C[C@@H]1C ZINC000593647345 398664905 /nfs/dbraw/zinc/66/49/05/398664905.db2.gz XPECNBJOPFZKAI-YESZJQIVSA-N 1 3 312.498 2.922 20 0 DFADHO C[C@@H](Cc1ccc(Br)c(F)c1)NC[C@H]1CC[NH2+]C1 ZINC000414897969 295831938 /nfs/dbraw/zinc/83/19/38/295831938.db2.gz ALIJGQPAWMBGJG-JQWIXIFHSA-N 1 3 315.230 2.718 20 0 DFADHO COCCN1CCC(Nc2ccc(C[NH+](C)C)c(C)c2)CC1 ZINC000459760490 299184390 /nfs/dbraw/zinc/18/43/90/299184390.db2.gz MPJXVNJGWGFYFP-UHFFFAOYSA-N 1 3 305.466 2.579 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNCCC[C@H]2CCC[NH2+]2)c1 ZINC000414964185 295841787 /nfs/dbraw/zinc/84/17/87/295841787.db2.gz LXWXRVROOYMSCK-AWEZNQCLSA-N 1 3 310.825 2.748 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000173363482 198207234 /nfs/dbraw/zinc/20/72/34/198207234.db2.gz VQMRQKXIVSOGQE-APWZRJJASA-N 1 3 312.461 2.751 20 0 DFADHO COc1ccccc1N1CCC(N[C@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000415077542 295855083 /nfs/dbraw/zinc/85/50/83/295855083.db2.gz FKAMPNGUKNVJAN-WBVHZDCISA-N 1 3 317.477 2.784 20 0 DFADHO C[C@H]1C[C@@H](CNCc2cccnc2OCC(F)(F)F)CC[NH2+]1 ZINC000415081657 295855676 /nfs/dbraw/zinc/85/56/76/295855676.db2.gz KRGLULDSLBFUBF-RYUDHWBXSA-N 1 3 317.355 2.500 20 0 DFADHO C[C@H](NC[C@H]1CC[NH2+][C@H](C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000415094028 295857084 /nfs/dbraw/zinc/85/70/84/295857084.db2.gz DEHJXYZLGWMUSP-AGIUHOORSA-N 1 3 318.396 2.914 20 0 DFADHO COc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1C ZINC000415130350 295862575 /nfs/dbraw/zinc/86/25/75/295862575.db2.gz QPQUBGPRIOWGGZ-IEBWSBKVSA-N 1 3 318.461 2.722 20 0 DFADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000355790048 299211096 /nfs/dbraw/zinc/21/10/96/299211096.db2.gz HRXFRWYECGELJL-ATLSCFEFSA-N 1 3 317.477 2.524 20 0 DFADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000355790048 299211100 /nfs/dbraw/zinc/21/11/00/299211100.db2.gz HRXFRWYECGELJL-ATLSCFEFSA-N 1 3 317.477 2.524 20 0 DFADHO CCC[NH+]1CCC(CNC(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000236770515 202000654 /nfs/dbraw/zinc/00/06/54/202000654.db2.gz RELXAYCVJYRICI-MAUKXSAKSA-N 1 3 317.477 2.561 20 0 DFADHO CN(C)Cc1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000129432002 283014804 /nfs/dbraw/zinc/01/48/04/283014804.db2.gz NDNZQXZNYKAFIM-UHFFFAOYSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)(C[NH2+]C1CCN(c2ccccn2)CC1)CN1CCCC1 ZINC000276975711 213213387 /nfs/dbraw/zinc/21/33/87/213213387.db2.gz YHDXXCQJFCLJSQ-UHFFFAOYSA-N 1 3 316.493 2.762 20 0 DFADHO CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC(C)(C)C ZINC000463372592 299237057 /nfs/dbraw/zinc/23/70/57/299237057.db2.gz SZLHCXHVUBPRTF-KRWDZBQOSA-N 1 3 319.493 2.774 20 0 DFADHO CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC(C)(C)C ZINC000463372592 299237061 /nfs/dbraw/zinc/23/70/61/299237061.db2.gz SZLHCXHVUBPRTF-KRWDZBQOSA-N 1 3 319.493 2.774 20 0 DFADHO CC[NH+](CC)CC1CCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000047973886 398766961 /nfs/dbraw/zinc/76/69/61/398766961.db2.gz DANCHUNHHGYEQV-IRXDYDNUSA-N 1 3 323.525 2.830 20 0 DFADHO C[C@H](NC(=O)C[C@H](c1ccccc1)N(C)C)C(C)(C)C[NH+](C)C ZINC000416155757 295925178 /nfs/dbraw/zinc/92/51/78/295925178.db2.gz NEQDETWHYCWCMW-DOTOQJQBSA-N 1 3 319.493 2.772 20 0 DFADHO Cc1cc(C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c1 ZINC000119669071 398777181 /nfs/dbraw/zinc/77/71/81/398777181.db2.gz NAPCBVWTTDHLOE-UHFFFAOYSA-N 1 3 320.481 2.569 20 0 DFADHO CCC[C@H](N)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000236889846 202055390 /nfs/dbraw/zinc/05/53/90/202055390.db2.gz FHLCBRWGDNTPPD-SFHVURJKSA-N 1 3 317.477 2.662 20 0 DFADHO CC[C@]1(C(=O)N2CCCN(CC3CCCCC3)CC2)CCC[NH2+]1 ZINC000134577433 283193022 /nfs/dbraw/zinc/19/30/22/283193022.db2.gz DTFIBWMINNJROL-LJQANCHMSA-N 1 3 321.509 2.633 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236988732 202109669 /nfs/dbraw/zinc/10/96/69/202109669.db2.gz LUSUVNZPGMJHRE-CRAIPNDOSA-N 1 3 317.477 2.662 20 0 DFADHO CCC(CC)[N@@H+](CC(=O)NC1CCN(CC)CC1)CC(C)C ZINC000464891954 299248726 /nfs/dbraw/zinc/24/87/26/299248726.db2.gz HJYXIFMQYLEYEF-UHFFFAOYSA-N 1 3 311.514 2.734 20 0 DFADHO CCC(CC)[N@H+](CC(=O)NC1CCN(CC)CC1)CC(C)C ZINC000464891954 299248728 /nfs/dbraw/zinc/24/87/28/299248728.db2.gz HJYXIFMQYLEYEF-UHFFFAOYSA-N 1 3 311.514 2.734 20 0 DFADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000237043890 202132594 /nfs/dbraw/zinc/13/25/94/202132594.db2.gz SKDHOPPFXJTJKW-SZMVWBNQSA-N 1 3 317.477 2.622 20 0 DFADHO CC(C)c1ccc(CC[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000138071375 283255682 /nfs/dbraw/zinc/25/56/82/283255682.db2.gz ONJHPDPHNZLHOI-UHFFFAOYSA-N 1 3 317.521 2.970 20 0 DFADHO C[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)C(=O)OC(C)(C)C ZINC000594613681 398832945 /nfs/dbraw/zinc/83/29/45/398832945.db2.gz QMGOQPDJISRUDQ-CQSZACIVSA-N 1 3 319.449 2.618 20 0 DFADHO CC[C@@](C)(O)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180164548 199125187 /nfs/dbraw/zinc/12/51/87/199125187.db2.gz RTVHIXHQPCSCDJ-INDMIFKZSA-N 1 3 302.462 2.648 20 0 DFADHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000467613378 299274068 /nfs/dbraw/zinc/27/40/68/299274068.db2.gz LTINSLFITNSWFO-IRXDYDNUSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000467613378 299274073 /nfs/dbraw/zinc/27/40/73/299274073.db2.gz LTINSLFITNSWFO-IRXDYDNUSA-N 1 3 323.525 2.734 20 0 DFADHO COC(=O)c1cccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000594734533 398850995 /nfs/dbraw/zinc/85/09/95/398850995.db2.gz AMPSSFSSYXZBBU-GOSISDBHSA-N 1 3 316.445 2.685 20 0 DFADHO CSCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000132730367 398857446 /nfs/dbraw/zinc/85/74/46/398857446.db2.gz FLVSEGSCRZLLDV-UHFFFAOYSA-N 1 3 307.507 2.670 20 0 DFADHO CSCCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000132730367 398857448 /nfs/dbraw/zinc/85/74/48/398857448.db2.gz FLVSEGSCRZLLDV-UHFFFAOYSA-N 1 3 307.507 2.670 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000152910249 283344730 /nfs/dbraw/zinc/34/47/30/283344730.db2.gz IXGYCONGNPNUTG-HUUCEWRRSA-N 1 3 323.456 2.511 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C[C@H]2C[C@@H]3C=C[C@H]2C3)C1 ZINC000180998724 199238597 /nfs/dbraw/zinc/23/85/97/199238597.db2.gz UIIBQTIFNBAXCB-GJJHYRHESA-N 1 3 312.457 2.555 20 0 DFADHO C[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)N1CCCCCC1 ZINC000175562825 283408166 /nfs/dbraw/zinc/40/81/66/283408166.db2.gz GYHKRKYBAYJWTD-OAHLLOKOSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H](C(=O)NCCC[NH+]1CCCCCC1)[C@@H](N)c1ccccc1 ZINC000237433309 202263993 /nfs/dbraw/zinc/26/39/93/202263993.db2.gz ZKEMTOPJHTYLHY-FUHWJXTLSA-N 1 3 317.477 2.705 20 0 DFADHO C[N@@H+]1CC[C@H](NCC2(C(=O)OC(C)(C)C)CCC2)CC1(C)C ZINC000598985857 398903607 /nfs/dbraw/zinc/90/36/07/398903607.db2.gz BMSDTGBFHHXPOV-AWEZNQCLSA-N 1 3 310.482 2.961 20 0 DFADHO C[N@H+]1CC[C@H](NCC2(C(=O)OC(C)(C)C)CCC2)CC1(C)C ZINC000598985857 398903608 /nfs/dbraw/zinc/90/36/08/398903608.db2.gz BMSDTGBFHHXPOV-AWEZNQCLSA-N 1 3 310.482 2.961 20 0 DFADHO C[NH+]1CCC(O)(CNCc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000077450288 398904575 /nfs/dbraw/zinc/90/45/75/398904575.db2.gz WNMATQZFQRVMFZ-UHFFFAOYSA-N 1 3 318.392 2.632 20 0 DFADHO COC(=O)CC1CCC([NH2+]CC[C@@H](C)N2CCCCC2)CC1 ZINC000599046003 398912890 /nfs/dbraw/zinc/91/28/90/398912890.db2.gz VEGFDFGRVBQLCI-KLAILNCOSA-N 1 3 310.482 2.962 20 0 DFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H](N)c1ccccc1 ZINC000237519656 202268734 /nfs/dbraw/zinc/26/87/34/202268734.db2.gz XZAMSJKPMYJAIV-UIBIWLFHSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H](N)c1ccccc1 ZINC000237519656 202268735 /nfs/dbraw/zinc/26/87/35/202268735.db2.gz XZAMSJKPMYJAIV-UIBIWLFHSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)CN1Cc1ccccc1 ZINC000237534552 202273676 /nfs/dbraw/zinc/27/36/76/202273676.db2.gz CDRGRKDFEZUIRS-HNAYVOBHSA-N 1 3 323.440 2.538 20 0 DFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000237675943 202326108 /nfs/dbraw/zinc/32/61/08/202326108.db2.gz BBYCLUNQXBPGKC-YJBOKZPZSA-N 1 3 315.461 2.999 20 0 DFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000237675943 202326112 /nfs/dbraw/zinc/32/61/12/202326112.db2.gz BBYCLUNQXBPGKC-YJBOKZPZSA-N 1 3 315.461 2.999 20 0 DFADHO FC(F)COCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000188770697 200301054 /nfs/dbraw/zinc/30/10/54/200301054.db2.gz PARGFAUZPQKFDR-UHFFFAOYSA-N 1 3 312.404 2.565 20 0 DFADHO COCC[N@H+](C)CCCNCc1ccc2nc(C)ccc2c1 ZINC000189250524 200369650 /nfs/dbraw/zinc/36/96/50/200369650.db2.gz WNOAZLNRTBNKRN-UHFFFAOYSA-N 1 3 301.434 2.601 20 0 DFADHO COCC[N@@H+](C)CCCNCc1ccc2nc(C)ccc2c1 ZINC000189250524 200369652 /nfs/dbraw/zinc/36/96/52/200369652.db2.gz WNOAZLNRTBNKRN-UHFFFAOYSA-N 1 3 301.434 2.601 20 0 DFADHO COC(=O)[C@@H](C)C[N@H+](CC[C@@H]1CCCN1C)Cc1ccccc1 ZINC000125071554 291217904 /nfs/dbraw/zinc/21/79/04/291217904.db2.gz MLHDBDCHMWWXNJ-WMZOPIPTSA-N 1 3 318.461 2.782 20 0 DFADHO COC(=O)[C@@H](C)C[N@@H+](CC[C@@H]1CCCN1C)Cc1ccccc1 ZINC000125071554 291217906 /nfs/dbraw/zinc/21/79/06/291217906.db2.gz MLHDBDCHMWWXNJ-WMZOPIPTSA-N 1 3 318.461 2.782 20 0 DFADHO C[C@@H]([NH2+]CC1(N(C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000417356341 296013514 /nfs/dbraw/zinc/01/35/14/296013514.db2.gz PFVPUVGQLAZYEE-AEFFLSMTSA-N 1 3 301.478 2.581 20 0 DFADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCCCC(=O)OC(C)(C)C)C2 ZINC000595504972 398952051 /nfs/dbraw/zinc/95/20/51/398952051.db2.gz NZMDMQIMYUGTAP-GOSISDBHSA-N 1 3 310.482 2.916 20 0 DFADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCCCC(=O)OC(C)(C)C)C2 ZINC000595504972 398952054 /nfs/dbraw/zinc/95/20/54/398952054.db2.gz NZMDMQIMYUGTAP-GOSISDBHSA-N 1 3 310.482 2.916 20 0 DFADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCCC(=O)OC(C)(C)C)C2 ZINC000595504973 398952305 /nfs/dbraw/zinc/95/23/05/398952305.db2.gz NZMDMQIMYUGTAP-SFHVURJKSA-N 1 3 310.482 2.916 20 0 DFADHO C[N@H+]1CC[C@]2(C1)CCCN(CCCCC(=O)OC(C)(C)C)C2 ZINC000595504973 398952308 /nfs/dbraw/zinc/95/23/08/398952308.db2.gz NZMDMQIMYUGTAP-SFHVURJKSA-N 1 3 310.482 2.916 20 0 DFADHO COc1cccc(C[C@H]([NH2+]CC2=CCN(C)CC2)C2CC2)c1 ZINC000271897516 209306464 /nfs/dbraw/zinc/30/64/64/209306464.db2.gz UQTPMRJMHYKEJX-IBGZPJMESA-N 1 3 300.446 2.868 20 0 DFADHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc2c(c1)OCCO2 ZINC000271896508 209305894 /nfs/dbraw/zinc/30/58/94/209305894.db2.gz UIGHZTWGCXPAJY-MRXNPFEDSA-N 1 3 302.418 2.760 20 0 DFADHO Cc1cc(NC(=O)CC[C@H](C)[NH3+])ccc1OCCN1CCCC1 ZINC000193317265 201028443 /nfs/dbraw/zinc/02/84/43/201028443.db2.gz UBZFTZMOVUPQLH-HNNXBMFYSA-N 1 3 319.449 2.536 20 0 DFADHO C[C@H](CCN1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000193628456 201089654 /nfs/dbraw/zinc/08/96/54/201089654.db2.gz HNKBCGJVPMAABW-LJQANCHMSA-N 1 3 315.505 2.894 20 0 DFADHO C[N@H+]1CC=C(CNCc2ccc(Br)s2)CC1 ZINC000271868186 209281417 /nfs/dbraw/zinc/28/14/17/209281417.db2.gz WSZTZJLSXGRMRX-UHFFFAOYSA-N 1 3 301.253 2.862 20 0 DFADHO C[N@@H+]1CC=C(CNCc2ccc(Br)s2)CC1 ZINC000271868186 209281420 /nfs/dbraw/zinc/28/14/20/209281420.db2.gz WSZTZJLSXGRMRX-UHFFFAOYSA-N 1 3 301.253 2.862 20 0 DFADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000194539850 201246483 /nfs/dbraw/zinc/24/64/83/201246483.db2.gz AYVABPJJCBIIGO-KDURUIRLSA-N 1 3 315.505 2.638 20 0 DFADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000194539850 201246487 /nfs/dbraw/zinc/24/64/87/201246487.db2.gz AYVABPJJCBIIGO-KDURUIRLSA-N 1 3 315.505 2.638 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000194725504 201278833 /nfs/dbraw/zinc/27/88/33/201278833.db2.gz QXPNJYOTEVONBC-UHFFFAOYSA-N 1 3 315.461 2.870 20 0 DFADHO CC(C)c1ccc([C@@H](N)CNC(=O)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000621621884 398998195 /nfs/dbraw/zinc/99/81/95/398998195.db2.gz MZIQFPLCFRLJFD-QAPCUYQASA-N 1 3 317.477 2.706 20 0 DFADHO COc1ccc([C@H](C)NCC2=CC[N@H+](C)CC2)cc1NC(C)=O ZINC000271842305 209259972 /nfs/dbraw/zinc/25/99/72/209259972.db2.gz GXIRUUJHYKTXCL-ZDUSSCGKSA-N 1 3 317.433 2.566 20 0 DFADHO COc1ccc([C@H](C)NCC2=CC[N@@H+](C)CC2)cc1NC(C)=O ZINC000271842305 209259973 /nfs/dbraw/zinc/25/99/73/209259973.db2.gz GXIRUUJHYKTXCL-ZDUSSCGKSA-N 1 3 317.433 2.566 20 0 DFADHO CC(C)(C(=O)NCC1([NH3+])CCCCCC1)[C@@H](N)c1ccccc1 ZINC000417815102 296054038 /nfs/dbraw/zinc/05/40/38/296054038.db2.gz RCNLHNKVJAKIFY-INIZCTEOSA-N 1 3 317.477 2.881 20 0 DFADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccc2c(c1)OCCCO2 ZINC000271842368 209260305 /nfs/dbraw/zinc/26/03/05/209260305.db2.gz GYERYDGLSNFVGX-AWEZNQCLSA-N 1 3 302.418 2.760 20 0 DFADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccc2c(c1)OCCCO2 ZINC000271842368 209260310 /nfs/dbraw/zinc/26/03/10/209260310.db2.gz GYERYDGLSNFVGX-AWEZNQCLSA-N 1 3 302.418 2.760 20 0 DFADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc2c(c1)OCCCO2 ZINC000271842368 209260311 /nfs/dbraw/zinc/26/03/11/209260311.db2.gz GYERYDGLSNFVGX-AWEZNQCLSA-N 1 3 302.418 2.760 20 0 DFADHO CCn1cncc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000417822396 296054796 /nfs/dbraw/zinc/05/47/96/296054796.db2.gz ZRJGCLCEPUOIIO-UHFFFAOYSA-N 1 3 304.482 2.991 20 0 DFADHO CC(C)(C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)[C@H](N)c1ccccc1 ZINC000417834470 296055903 /nfs/dbraw/zinc/05/59/03/296055903.db2.gz VHYSSYFJRLSVKB-JKSUJKDBSA-N 1 3 317.477 2.607 20 0 DFADHO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000249031296 283761893 /nfs/dbraw/zinc/76/18/93/283761893.db2.gz LPILFVKFZVGHBD-QGPMSJSTSA-N 1 3 306.450 2.845 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000091283696 193030274 /nfs/dbraw/zinc/03/02/74/193030274.db2.gz MHOULJYRCOSRDE-IBGZPJMESA-N 1 3 301.478 2.753 20 0 DFADHO CN1CCCN(CCC[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000091333622 193041596 /nfs/dbraw/zinc/04/15/96/193041596.db2.gz FNAWGUXOMAYRKV-IBGZPJMESA-N 1 3 301.478 2.755 20 0 DFADHO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000092043296 193146691 /nfs/dbraw/zinc/14/66/91/193146691.db2.gz ZXJHHCZRZOGICO-SJLPKXTDSA-N 1 3 301.434 2.561 20 0 DFADHO CC(=O)Nc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000092043296 193146692 /nfs/dbraw/zinc/14/66/92/193146692.db2.gz ZXJHHCZRZOGICO-SJLPKXTDSA-N 1 3 301.434 2.561 20 0 DFADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418346377 296087053 /nfs/dbraw/zinc/08/70/53/296087053.db2.gz HUTAGRKCPUTONU-MRXNPFEDSA-N 1 3 320.481 2.627 20 0 DFADHO CN1CC=C(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000271768625 209197976 /nfs/dbraw/zinc/19/79/76/209197976.db2.gz BDFKCJVZENSHSI-UHFFFAOYSA-N 1 3 300.381 2.567 20 0 DFADHO CCc1ccc([C@H](C[NH2+][C@@H]2CCN(C)C[C@H]2C)N(C)C)cc1 ZINC000479856833 299384144 /nfs/dbraw/zinc/38/41/44/299384144.db2.gz ZQUSJUIYOXUYFG-LZQZEXGQSA-N 1 3 303.494 2.782 20 0 DFADHO CCc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000479856833 299384145 /nfs/dbraw/zinc/38/41/45/299384145.db2.gz ZQUSJUIYOXUYFG-LZQZEXGQSA-N 1 3 303.494 2.782 20 0 DFADHO CCc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000479856833 299384146 /nfs/dbraw/zinc/38/41/46/299384146.db2.gz ZQUSJUIYOXUYFG-LZQZEXGQSA-N 1 3 303.494 2.782 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C)C[C@H]1C)Cc1ccccc1 ZINC000480826547 299390347 /nfs/dbraw/zinc/39/03/47/299390347.db2.gz KOPGFZBUEQWKOH-YZGWKJHDSA-N 1 3 317.521 2.869 20 0 DFADHO C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[C@@H](N)c1ccccc1 ZINC000261786659 203117054 /nfs/dbraw/zinc/11/70/54/203117054.db2.gz SOILJWYCTHNAEN-SOLBZPMBSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[C@@H](N)c1ccccc1 ZINC000261786659 203117056 /nfs/dbraw/zinc/11/70/56/203117056.db2.gz SOILJWYCTHNAEN-SOLBZPMBSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000261880085 203143296 /nfs/dbraw/zinc/14/32/96/203143296.db2.gz RTCPRLWFTZRQEM-JKSUJKDBSA-N 1 3 317.477 2.622 20 0 DFADHO C[C@H]1CN(CC2(C[N@@H+]3C[C@@H](C)[C@H](C)[C@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375253 296137828 /nfs/dbraw/zinc/13/78/28/296137828.db2.gz RGBJFOGAWHUZMQ-ONTMVUMWSA-N 1 3 308.510 2.956 20 0 DFADHO C[C@H]1CN(CC2(C[N@H+]3C[C@@H](C)[C@H](C)[C@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375253 296137830 /nfs/dbraw/zinc/13/78/30/296137830.db2.gz RGBJFOGAWHUZMQ-ONTMVUMWSA-N 1 3 308.510 2.956 20 0 DFADHO C[C@H]1C[N@@H+](CC2(CN3C[C@@H](C)[C@H](C)[C@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375253 296137832 /nfs/dbraw/zinc/13/78/32/296137832.db2.gz RGBJFOGAWHUZMQ-ONTMVUMWSA-N 1 3 308.510 2.956 20 0 DFADHO C[C@H]1C[N@H+](CC2(CN3C[C@@H](C)[C@H](C)[C@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375253 296137834 /nfs/dbraw/zinc/13/78/34/296137834.db2.gz RGBJFOGAWHUZMQ-ONTMVUMWSA-N 1 3 308.510 2.956 20 0 DFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CNCC3CC3)cc2)C1 ZINC000262653753 203366462 /nfs/dbraw/zinc/36/64/62/203366462.db2.gz BQMQUJMZZVXFOH-OAHLLOKOSA-N 1 3 315.461 2.857 20 0 DFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNCC3CC3)cc2)C1 ZINC000262653753 203366465 /nfs/dbraw/zinc/36/64/65/203366465.db2.gz BQMQUJMZZVXFOH-OAHLLOKOSA-N 1 3 315.461 2.857 20 0 DFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H](N)C(C)(C)C)c1ccccc1 ZINC000262654146 203366793 /nfs/dbraw/zinc/36/67/93/203366793.db2.gz STZVRRUCFUKJSX-DZGCQCFKSA-N 1 3 305.466 2.605 20 0 DFADHO COC(=O)c1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000595895935 399126605 /nfs/dbraw/zinc/12/66/05/399126605.db2.gz WQYQEMGVJSXBHF-CABCVRRESA-N 1 3 322.474 2.746 20 0 DFADHO CCn1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000093769288 193302730 /nfs/dbraw/zinc/30/27/30/193302730.db2.gz MILMFLRVBXEFNB-UHFFFAOYSA-N 1 3 304.482 2.991 20 0 DFADHO CCCN1CCC[C@H]1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000340332880 284177054 /nfs/dbraw/zinc/17/70/54/284177054.db2.gz IQNVWSRXUPBGQT-KRWDZBQOSA-N 1 3 303.450 2.870 20 0 DFADHO Cc1cc(C[NH+](C)C)cc(NC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000340334328 284177919 /nfs/dbraw/zinc/17/79/19/284177919.db2.gz RLVPXDCVPGWQFE-HUUCEWRRSA-N 1 3 303.450 2.868 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnn(C(C)C)c2)[C@H](C)C1 ZINC000341007976 284228001 /nfs/dbraw/zinc/22/80/01/284228001.db2.gz JSECZKNANLVNPL-AEFFLSMTSA-N 1 3 322.497 2.691 20 0 DFADHO Cc1cc(NC[C@H]([NH3+])C2CC2)c2cc(OC(F)F)ccc2n1 ZINC000420219192 296163166 /nfs/dbraw/zinc/16/31/66/296163166.db2.gz PHAQLOQFBQRYGA-ZDUSSCGKSA-N 1 3 307.344 2.716 20 0 DFADHO Cc1ccc2nccc(N3C[C@H](C[NH3+])C4(C3)CCOCC4)c2c1 ZINC000420282324 296169159 /nfs/dbraw/zinc/16/91/59/296169159.db2.gz WKWKFGQNHWMFDL-HNNXBMFYSA-N 1 3 311.429 2.735 20 0 DFADHO c1ccc2cc(CN(CCN3CC[NH2+]CC3)C3CC3)ccc2c1 ZINC000420296882 296170976 /nfs/dbraw/zinc/17/09/76/296170976.db2.gz CJZYEWXNTZLTSE-UHFFFAOYSA-N 1 3 309.457 2.709 20 0 DFADHO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCN1CCNCC1 ZINC000420297150 296170980 /nfs/dbraw/zinc/17/09/80/296170980.db2.gz FOSMVSBBYXMNCG-RBUKOAKNSA-N 1 3 301.478 2.550 20 0 DFADHO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCN1CCNCC1 ZINC000420297150 296170981 /nfs/dbraw/zinc/17/09/81/296170981.db2.gz FOSMVSBBYXMNCG-RBUKOAKNSA-N 1 3 301.478 2.550 20 0 DFADHO CCS[C@@H]1CCCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420299232 296171168 /nfs/dbraw/zinc/17/11/68/296171168.db2.gz ILGPRGVYSQOHBW-SQNIBIBYSA-N 1 3 322.518 2.525 20 0 DFADHO CCS[C@@H]1CCCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420299232 296171169 /nfs/dbraw/zinc/17/11/69/296171169.db2.gz ILGPRGVYSQOHBW-SQNIBIBYSA-N 1 3 322.518 2.525 20 0 DFADHO CCCN(C)CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000341619291 284270430 /nfs/dbraw/zinc/27/04/30/284270430.db2.gz SWYWHWYVJLGTCR-MRXNPFEDSA-N 1 3 317.477 2.670 20 0 DFADHO COC(=O)CCC[N@@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000420304596 296172030 /nfs/dbraw/zinc/17/20/30/296172030.db2.gz FDFLAYBHKWDVBG-MSOLQXFVSA-N 1 3 318.461 2.612 20 0 DFADHO COC(=O)CCC[N@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000420304596 296172031 /nfs/dbraw/zinc/17/20/31/296172031.db2.gz FDFLAYBHKWDVBG-MSOLQXFVSA-N 1 3 318.461 2.612 20 0 DFADHO COc1ccccc1[C@@H]1CNCCN1CCC[NH+]1CCCCC1 ZINC000420308019 296172853 /nfs/dbraw/zinc/17/28/53/296172853.db2.gz JPAFPZXCBIRFMB-SFHVURJKSA-N 1 3 317.477 2.518 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000420308125 296173082 /nfs/dbraw/zinc/17/30/82/296173082.db2.gz SAXMPOASLYKLPE-PKOBYXMFSA-N 1 3 318.461 2.630 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000420308125 296173083 /nfs/dbraw/zinc/17/30/83/296173083.db2.gz SAXMPOASLYKLPE-PKOBYXMFSA-N 1 3 318.461 2.630 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+](C)Cc2cccc(OC)c2)cc1 ZINC000420319483 296174570 /nfs/dbraw/zinc/17/45/70/296174570.db2.gz PPOYZAVQWTZVSY-KRWDZBQOSA-N 1 3 314.429 2.878 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+](C)Cc2cccc(OC)c2)cc1 ZINC000420319483 296174572 /nfs/dbraw/zinc/17/45/72/296174572.db2.gz PPOYZAVQWTZVSY-KRWDZBQOSA-N 1 3 314.429 2.878 20 0 DFADHO Cc1ccc(NC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000420323992 296175341 /nfs/dbraw/zinc/17/53/41/296175341.db2.gz AJMGHNLRIVZCCR-ZACQAIPSSA-N 1 3 315.461 2.562 20 0 DFADHO C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000420322119 296174863 /nfs/dbraw/zinc/17/48/63/296174863.db2.gz RZXZVPJUMKMTJS-UFYCRDLUSA-N 1 3 310.441 2.537 20 0 DFADHO C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000420322119 296174865 /nfs/dbraw/zinc/17/48/65/296174865.db2.gz RZXZVPJUMKMTJS-UFYCRDLUSA-N 1 3 310.441 2.537 20 0 DFADHO CC(C)C1CCC(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000420321639 296174878 /nfs/dbraw/zinc/17/48/78/296174878.db2.gz RIFSVIATPRULOI-LMDPOFIKSA-N 1 3 307.526 2.818 20 0 DFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H](O)C(C)(C)C1 ZINC000448370163 297338711 /nfs/dbraw/zinc/33/87/11/297338711.db2.gz GDWKKPQUCSIPGZ-QGZVFWFLSA-N 1 3 304.478 2.847 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H](O)C(C)(C)C1 ZINC000448370163 297338714 /nfs/dbraw/zinc/33/87/14/297338714.db2.gz GDWKKPQUCSIPGZ-QGZVFWFLSA-N 1 3 304.478 2.847 20 0 DFADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420335082 296176818 /nfs/dbraw/zinc/17/68/18/296176818.db2.gz JWMRVHWRVWRSPD-MAUKXSAKSA-N 1 3 321.509 2.630 20 0 DFADHO c1cnc2sc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420337762 296177076 /nfs/dbraw/zinc/17/70/76/296177076.db2.gz XAGJPXULADCIMI-STQMWFEESA-N 1 3 302.447 2.513 20 0 DFADHO Fc1ccc(-c2cc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)on2)cc1 ZINC000420343878 296177865 /nfs/dbraw/zinc/17/78/65/296177865.db2.gz RYDGWKYARGBDGD-GASCZTMLSA-N 1 3 315.392 2.912 20 0 DFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)N(CC)CC ZINC000448444910 297339671 /nfs/dbraw/zinc/33/96/71/297339671.db2.gz RJDDONNMLPKLTE-IRXDYDNUSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](c1cccc(F)c1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420357052 296179624 /nfs/dbraw/zinc/17/96/24/296179624.db2.gz HKWDNCZYALILJN-JKSUJKDBSA-N 1 3 305.441 2.504 20 0 DFADHO CC[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1(C(=O)OC)CCC1 ZINC000596092560 399170671 /nfs/dbraw/zinc/17/06/71/399170671.db2.gz BLSNMTWCNAGAFK-SJORKVTESA-N 1 3 322.493 2.820 20 0 DFADHO CC(C)(C)[C@H](C[NH3+])NCCCc1nc(-c2cccs2)no1 ZINC000420365669 296180801 /nfs/dbraw/zinc/18/08/01/296180801.db2.gz QKLFLTFDINGCDM-LBPRGKRZSA-N 1 3 308.451 2.694 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN[C@H](C[NH3+])C1CCCCC1 ZINC000420375764 296182567 /nfs/dbraw/zinc/18/25/67/296182567.db2.gz UJVSAOKNWUEXHO-QGZVFWFLSA-N 1 3 321.440 2.960 20 0 DFADHO C[C@@H]([NH2+]C[C@H](O)[C@@H](N)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000420377050 296182642 /nfs/dbraw/zinc/18/26/42/296182642.db2.gz RMGPXSGKVYQMBN-BVGQSLNGSA-N 1 3 318.848 2.922 20 0 DFADHO C[C@@H](Cc1cccc(Cl)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000282617797 217129300 /nfs/dbraw/zinc/12/93/00/217129300.db2.gz JFWDZBRSIZLXJE-WMLDXEAASA-N 1 3 310.869 2.707 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCCCC(F)(F)F)CC2)C1 ZINC000420384796 296183855 /nfs/dbraw/zinc/18/38/55/296183855.db2.gz GULUYSGUCJOJEH-ZIAGYGMSSA-N 1 3 308.388 2.937 20 0 DFADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1F ZINC000420387762 296184459 /nfs/dbraw/zinc/18/44/59/296184459.db2.gz GNMYUXHSWXWYEV-WMLDXEAASA-N 1 3 319.424 2.618 20 0 DFADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(F)cc1 ZINC000420393066 296185388 /nfs/dbraw/zinc/18/53/88/296185388.db2.gz JJRMWYQEOGONRH-RHSMWYFYSA-N 1 3 319.424 2.618 20 0 DFADHO C[NH+](C)CCOc1cccc(CNC/C=C/c2ccncc2)c1 ZINC000486969193 299434864 /nfs/dbraw/zinc/43/48/64/299434864.db2.gz PUGAMMKAUIAPSG-GQCTYLIASA-N 1 3 311.429 2.825 20 0 DFADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000618660374 399200888 /nfs/dbraw/zinc/20/08/88/399200888.db2.gz JMZMHYQAMXCHFN-TWMKSMIVSA-N 1 3 321.509 2.771 20 0 DFADHO C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000618660374 399200891 /nfs/dbraw/zinc/20/08/91/399200891.db2.gz JMZMHYQAMXCHFN-TWMKSMIVSA-N 1 3 321.509 2.771 20 0 DFADHO CC[NH+]1CCC(N2CCCN([C@@H](C)c3cccnc3)CC2)CC1 ZINC000420972417 296219936 /nfs/dbraw/zinc/21/99/36/296219936.db2.gz AVBHQFDMUIQMOA-KRWDZBQOSA-N 1 3 316.493 2.635 20 0 DFADHO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000268943552 291614151 /nfs/dbraw/zinc/61/41/51/291614151.db2.gz AVDPMIZMHGHJPH-CQSZACIVSA-N 1 3 302.418 2.849 20 0 DFADHO CCOC(=O)C1(C)CC(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000601275766 399268391 /nfs/dbraw/zinc/26/83/91/399268391.db2.gz DUKZQJWHBZPRDM-YZWVMBDNSA-N 1 3 322.493 2.961 20 0 DFADHO CCOC(=O)C1(C)CC(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000601275766 399268396 /nfs/dbraw/zinc/26/83/96/399268396.db2.gz DUKZQJWHBZPRDM-YZWVMBDNSA-N 1 3 322.493 2.961 20 0 DFADHO CCOC(=O)C1(C)CC([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000601275766 399268399 /nfs/dbraw/zinc/26/83/99/399268399.db2.gz DUKZQJWHBZPRDM-YZWVMBDNSA-N 1 3 322.493 2.961 20 0 DFADHO CCCN1C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CC1=O ZINC000421345303 296246084 /nfs/dbraw/zinc/24/60/84/296246084.db2.gz AJUHRYHBVRYWDX-MRXNPFEDSA-N 1 3 321.509 2.632 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000623064644 399321506 /nfs/dbraw/zinc/32/15/06/399321506.db2.gz BOFNDNKSYBQAHL-UHFFFAOYSA-N 1 3 324.428 2.673 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347005 399367882 /nfs/dbraw/zinc/36/78/82/399367882.db2.gz KVLLDFHOEIHCKH-APWZRJJASA-N 1 3 315.505 2.896 20 0 DFADHO C[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347005 399367885 /nfs/dbraw/zinc/36/78/85/399367885.db2.gz KVLLDFHOEIHCKH-APWZRJJASA-N 1 3 315.505 2.896 20 0 DFADHO C[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347005 399367887 /nfs/dbraw/zinc/36/78/87/399367887.db2.gz KVLLDFHOEIHCKH-APWZRJJASA-N 1 3 315.505 2.896 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)CC1(C)C ZINC000623357577 399371374 /nfs/dbraw/zinc/37/13/74/399371374.db2.gz WPLWXWFJKQFKQH-INIZCTEOSA-N 1 3 315.461 2.776 20 0 DFADHO C[N@@H+]1CC[C@H](NCCN2CCCc3ccccc32)CC1(C)C ZINC000623381277 399376366 /nfs/dbraw/zinc/37/63/66/399376366.db2.gz KXPUBPIIQGKGHZ-KRWDZBQOSA-N 1 3 301.478 2.902 20 0 DFADHO C[N@H+]1CC[C@H](NCCN2CCCc3ccccc32)CC1(C)C ZINC000623381277 399376369 /nfs/dbraw/zinc/37/63/69/399376369.db2.gz KXPUBPIIQGKGHZ-KRWDZBQOSA-N 1 3 301.478 2.902 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC000106459174 194216929 /nfs/dbraw/zinc/21/69/29/194216929.db2.gz XZTNFNXSPZSGPL-GOSISDBHSA-N 1 3 319.493 2.731 20 0 DFADHO CN(C[C@H](O)CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285360461 218397841 /nfs/dbraw/zinc/39/78/41/218397841.db2.gz BMKFHTDHYOCTFP-ZZJWQFMZSA-N 1 3 302.462 2.537 20 0 DFADHO CN(C[C@H](O)CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285360461 218397842 /nfs/dbraw/zinc/39/78/42/218397842.db2.gz BMKFHTDHYOCTFP-ZZJWQFMZSA-N 1 3 302.462 2.537 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(Cl)c(OC)c1 ZINC000623442948 399390840 /nfs/dbraw/zinc/39/08/40/399390840.db2.gz IAPKBYQCKANPFH-CQSZACIVSA-N 1 3 314.857 2.795 20 0 DFADHO COc1ccccc1N1CC[C@@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623445403 399391699 /nfs/dbraw/zinc/39/16/99/399391699.db2.gz PPXYHXINLSPIIZ-HZPDHXFCSA-N 1 3 317.477 2.736 20 0 DFADHO COc1ccccc1N1CC[C@@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623445403 399391701 /nfs/dbraw/zinc/39/17/01/399391701.db2.gz PPXYHXINLSPIIZ-HZPDHXFCSA-N 1 3 317.477 2.736 20 0 DFADHO CN1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000268838716 207003971 /nfs/dbraw/zinc/00/39/71/207003971.db2.gz BVPRTFTZNXWPHB-WOJBJXKFSA-N 1 3 315.505 2.940 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000268863646 207032957 /nfs/dbraw/zinc/03/29/57/207032957.db2.gz GQGNPCKNDMUMLB-QGTPRVQTSA-N 1 3 306.450 2.581 20 0 DFADHO COc1ccc(CNCC2=CC[N@H+](C)CC2)cc1OC1CC1 ZINC000623484790 399399325 /nfs/dbraw/zinc/39/93/25/399399325.db2.gz BZNAIXXPKIVQSE-UHFFFAOYSA-N 1 3 302.418 2.588 20 0 DFADHO COc1ccc(CNCC2=CC[N@@H+](C)CC2)cc1OC1CC1 ZINC000623484790 399399329 /nfs/dbraw/zinc/39/93/29/399399329.db2.gz BZNAIXXPKIVQSE-UHFFFAOYSA-N 1 3 302.418 2.588 20 0 DFADHO CCN(CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000268895306 207064589 /nfs/dbraw/zinc/06/45/89/207064589.db2.gz ZUVPCYTYIWSCPY-PXNSSMCTSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCCc1cc(Br)ccc1F ZINC000422703871 296319126 /nfs/dbraw/zinc/31/91/26/296319126.db2.gz OBEXNRJEILCRIG-UWVGGRQHSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]CCc1cc(Br)ccc1F ZINC000422703871 296319127 /nfs/dbraw/zinc/31/91/27/296319127.db2.gz OBEXNRJEILCRIG-UWVGGRQHSA-N 1 3 303.219 2.846 20 0 DFADHO Cc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422706196 296318846 /nfs/dbraw/zinc/31/88/46/296318846.db2.gz SZNVNNYSVIZGMT-GBESFXJTSA-N 1 3 302.462 2.593 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2ccc(Cl)cc2)CC1 ZINC000422705985 296318866 /nfs/dbraw/zinc/31/88/66/296318866.db2.gz SLWNOVZPKCOMIC-RCBQFDQVSA-N 1 3 308.853 2.714 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422705985 296318868 /nfs/dbraw/zinc/31/88/68/296318868.db2.gz SLWNOVZPKCOMIC-RCBQFDQVSA-N 1 3 308.853 2.714 20 0 DFADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1[NH3+])N1CCCCC1 ZINC000422704995 296318958 /nfs/dbraw/zinc/31/89/58/296318958.db2.gz BCJZGUXWJQHVFI-KURKYZTESA-N 1 3 317.477 2.692 20 0 DFADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@H]1N)N1CCCCC1 ZINC000422704995 296318960 /nfs/dbraw/zinc/31/89/60/296318960.db2.gz BCJZGUXWJQHVFI-KURKYZTESA-N 1 3 317.477 2.692 20 0 DFADHO Cc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422706198 296318998 /nfs/dbraw/zinc/31/89/98/296318998.db2.gz SZNVNNYSVIZGMT-IPMKNSEASA-N 1 3 302.462 2.593 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCCN1)N1CCc2sccc2C1 ZINC000422711317 296320309 /nfs/dbraw/zinc/32/03/09/296320309.db2.gz GWYQWRAUYRUKIO-OFQRWUPVSA-N 1 3 307.507 2.615 20 0 DFADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422712920 296320343 /nfs/dbraw/zinc/32/03/43/296320343.db2.gz IXSWWVUTXAQXJO-QXCFHYIPSA-N 1 3 313.489 2.948 20 0 DFADHO COc1ccccc1[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])N1CCCCC1 ZINC000422709302 296319859 /nfs/dbraw/zinc/31/98/59/296319859.db2.gz KIBXIXCPUVAJQN-RYRKJORJSA-N 1 3 319.493 2.938 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3nsnc32)[C@H](C)C1 ZINC000268953972 207119451 /nfs/dbraw/zinc/11/94/51/207119451.db2.gz SYBVQBHRNDBFCA-IUODEOHRSA-N 1 3 304.463 2.853 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc3nsnc32)[C@H](C)C1 ZINC000268953972 207119452 /nfs/dbraw/zinc/11/94/52/207119452.db2.gz SYBVQBHRNDBFCA-IUODEOHRSA-N 1 3 304.463 2.853 20 0 DFADHO c1ccc(CCOCCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422722097 296321588 /nfs/dbraw/zinc/32/15/88/296321588.db2.gz ORFSTDWGMQDIDK-DFNIBXOVSA-N 1 3 302.462 2.899 20 0 DFADHO CC(C)CC(=O)Nc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422723735 296321791 /nfs/dbraw/zinc/32/17/91/296321791.db2.gz SGKMYGHWPYFQHL-NVXWUHKLSA-N 1 3 303.450 2.888 20 0 DFADHO CC(C)[C@H](CCc1ccccc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000268967061 207129741 /nfs/dbraw/zinc/12/97/41/207129741.db2.gz HGKYWNDUUPHUJX-SFHVURJKSA-N 1 3 304.478 2.690 20 0 DFADHO CN(C)c1c(CNCC[C@@H]2CCC[N@H+](C)C2)ccc(F)c1F ZINC000623547268 399413338 /nfs/dbraw/zinc/41/33/38/399413338.db2.gz LFOIYLAYHXBMEV-ZDUSSCGKSA-N 1 3 311.420 2.852 20 0 DFADHO CN(C)c1c(CNCC[C@@H]2CCC[N@@H+](C)C2)ccc(F)c1F ZINC000623547268 399413342 /nfs/dbraw/zinc/41/33/42/399413342.db2.gz LFOIYLAYHXBMEV-ZDUSSCGKSA-N 1 3 311.420 2.852 20 0 DFADHO C[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])N1CCc2ccccc2C1 ZINC000422720764 296321426 /nfs/dbraw/zinc/32/14/26/296321426.db2.gz TWCKNILJWJPIRK-LZQZEXGQSA-N 1 3 301.478 2.683 20 0 DFADHO Clc1cnccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000623562369 399417277 /nfs/dbraw/zinc/41/72/77/399417277.db2.gz PRWGVOLIZYJEKC-UHFFFAOYSA-N 1 3 323.868 2.716 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3)C2)CC1(C)C ZINC000623551950 399414487 /nfs/dbraw/zinc/41/44/87/399414487.db2.gz PHDAUBRYCRSXCK-JKSUJKDBSA-N 1 3 305.441 2.867 20 0 DFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3)C2)CC1(C)C ZINC000623551950 399414490 /nfs/dbraw/zinc/41/44/90/399414490.db2.gz PHDAUBRYCRSXCK-JKSUJKDBSA-N 1 3 305.441 2.867 20 0 DFADHO Cc1c([C@H](C)NCCCC[NH+](C)C)nnn1-c1ccc(F)cc1 ZINC000268992809 207149464 /nfs/dbraw/zinc/14/94/64/207149464.db2.gz KBFVKAQPWLIPNE-ZDUSSCGKSA-N 1 3 319.428 2.707 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1cccs1)N1CCCC1 ZINC000422731443 296323043 /nfs/dbraw/zinc/32/30/43/296323043.db2.gz LRVWARKICLOGSJ-BZUAXINKSA-N 1 3 307.507 2.863 20 0 DFADHO COc1cc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)ccc1SC ZINC000268999124 207155126 /nfs/dbraw/zinc/15/51/26/207155126.db2.gz OSDRKFWRHASBGD-CYBMUJFWSA-N 1 3 324.490 2.524 20 0 DFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCCN(C)C2)o1 ZINC000623656492 399437036 /nfs/dbraw/zinc/43/70/36/399437036.db2.gz VJHOMVYLUFPAPX-CQSZACIVSA-N 1 3 302.422 2.800 20 0 DFADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000269081705 207227202 /nfs/dbraw/zinc/22/72/02/207227202.db2.gz ZUFYLQBSZNDUCU-LLVKDONJSA-N 1 3 300.805 2.586 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)NC[C@@H](N)c1ccccc1 ZINC000269176074 207297381 /nfs/dbraw/zinc/29/73/81/207297381.db2.gz MOTIDLPORJEPPG-QGZVFWFLSA-N 1 3 305.466 2.705 20 0 DFADHO C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H](C)C1CNC1 ZINC000422739530 296324453 /nfs/dbraw/zinc/32/44/53/296324453.db2.gz LQSLUGSIGNJKPT-VXGBXAGGSA-N 1 3 311.267 2.968 20 0 DFADHO C[C@H](CCc1ccc(Br)cc1)N[C@H](C)C1C[NH2+]C1 ZINC000422739530 296324454 /nfs/dbraw/zinc/32/44/54/296324454.db2.gz LQSLUGSIGNJKPT-VXGBXAGGSA-N 1 3 311.267 2.968 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H](c1cccs1)N1CCCC1 ZINC000422735328 296323735 /nfs/dbraw/zinc/32/37/35/296323735.db2.gz VZCJEZSZMRZQDM-ARFHVFGLSA-N 1 3 307.507 2.992 20 0 DFADHO OCc1cccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422743139 296325035 /nfs/dbraw/zinc/32/50/35/296325035.db2.gz QZAFIRPKIVHYQR-AZUAARDMSA-N 1 3 324.424 2.524 20 0 DFADHO CCC[NH+]1CCC(CNCc2cc(C(=O)OC)cs2)CC1 ZINC000602551705 399473734 /nfs/dbraw/zinc/47/37/34/399473734.db2.gz QIZZQVJPAMXAIE-UHFFFAOYSA-N 1 3 310.463 2.746 20 0 DFADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])N1CCCC1 ZINC000422748587 296325599 /nfs/dbraw/zinc/32/55/99/296325599.db2.gz VEZJIGUZQNOSTF-NXHRZFHOSA-N 1 3 317.477 2.549 20 0 DFADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])N1CCCC1 ZINC000422748585 296325675 /nfs/dbraw/zinc/32/56/75/296325675.db2.gz VEZJIGUZQNOSTF-JQHSSLGASA-N 1 3 317.477 2.549 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1N)c1c(F)cccc1F ZINC000422745627 296325358 /nfs/dbraw/zinc/32/53/58/296325358.db2.gz MPTOPCXHFXBECJ-BZUAXINKSA-N 1 3 311.420 2.817 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCN(C)Cc1ccccc1 ZINC000422750822 296326084 /nfs/dbraw/zinc/32/60/84/296326084.db2.gz BUNJHUXZZZYVJF-OAHLLOKOSA-N 1 3 312.461 2.631 20 0 DFADHO COc1ccccc1[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])N1CCCC1 ZINC000422749006 296326155 /nfs/dbraw/zinc/32/61/55/296326155.db2.gz WZUOCZKPQBWKPK-VYDXJSESSA-N 1 3 305.466 2.548 20 0 DFADHO CC[NH+]1CCC(CCNCc2cc(C(=O)OC)cs2)CC1 ZINC000602557417 399475052 /nfs/dbraw/zinc/47/50/52/399475052.db2.gz JVAZINSSGIBHOE-UHFFFAOYSA-N 1 3 310.463 2.746 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]1NCCCc1ccc(Br)cc1F ZINC000422751211 296326459 /nfs/dbraw/zinc/32/64/59/296326459.db2.gz AXZJDRQSPCFOON-ZIAGYGMSSA-N 1 3 315.230 2.990 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422750994 296326611 /nfs/dbraw/zinc/32/66/11/296326611.db2.gz ATRZVMYFDLBLLB-KTGAGVNESA-N 1 3 317.452 2.976 20 0 DFADHO C[C@@H](NCC1(c2cccc(Cl)c2)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000422755445 296327288 /nfs/dbraw/zinc/32/72/88/296327288.db2.gz HTFSDPBXOCELMJ-HUUCEWRRSA-N 1 3 322.880 2.976 20 0 DFADHO c1nc2ccccc2n1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422754955 296327350 /nfs/dbraw/zinc/32/73/50/296327350.db2.gz GKHHJXKKVVRFAZ-IXDOHACOSA-N 1 3 312.461 2.937 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000422762123 296328786 /nfs/dbraw/zinc/32/87/86/296328786.db2.gz NNVSQDFJQAXDRA-HHXXYDBFSA-N 1 3 322.468 2.877 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000422770067 296330270 /nfs/dbraw/zinc/33/02/70/296330270.db2.gz WIQKQDUPXPFREY-DOMZBBRYSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1ccc(Br)cc1 ZINC000422770067 296330272 /nfs/dbraw/zinc/33/02/72/296330272.db2.gz WIQKQDUPXPFREY-DOMZBBRYSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000422770069 296330373 /nfs/dbraw/zinc/33/03/73/296330373.db2.gz WIQKQDUPXPFREY-SWLSCSKDSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccc(Br)cc1 ZINC000422770069 296330374 /nfs/dbraw/zinc/33/03/74/296330374.db2.gz WIQKQDUPXPFREY-SWLSCSKDSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H](NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422776510 296330976 /nfs/dbraw/zinc/33/09/76/296330976.db2.gz CTKXVWOWMXOVQS-NEWSRXKRSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](CCO)c1ccccc1 ZINC000422775589 296331024 /nfs/dbraw/zinc/33/10/24/296331024.db2.gz BYRTZMDBTFJQCF-FFZOFVMBSA-N 1 3 312.457 2.701 20 0 DFADHO COc1ccc([C@H](C)CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)cc1 ZINC000422776077 296331028 /nfs/dbraw/zinc/33/10/28/296331028.db2.gz CCANNDZMOVBZGV-LTCOOKNTSA-N 1 3 306.450 2.531 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422773603 296330678 /nfs/dbraw/zinc/33/06/78/296330678.db2.gz YYACKFUIQQOUPE-LULLPPNCSA-N 1 3 313.489 2.948 20 0 DFADHO Cc1nc2ccccc2n1CCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422782640 296331942 /nfs/dbraw/zinc/33/19/42/296331942.db2.gz JWMPTAYWXVIJNA-BEFAXECRSA-N 1 3 322.456 2.893 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCSc1ccc(Cl)cc1 ZINC000422774884 296331193 /nfs/dbraw/zinc/33/11/93/296331193.db2.gz YVJMCTBMEWHPEM-TUKIKUTGSA-N 1 3 314.882 2.774 20 0 DFADHO CC(C)CCOCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422779814 296331705 /nfs/dbraw/zinc/33/17/05/296331705.db2.gz JFNIBRONXHBEEH-HKUYNNGSSA-N 1 3 318.461 2.895 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000422787701 296333075 /nfs/dbraw/zinc/33/30/75/296333075.db2.gz UXUBORPLOIKAQM-RCCFBDPRSA-N 1 3 318.461 2.757 20 0 DFADHO Cc1csc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)n1 ZINC000623915409 399493743 /nfs/dbraw/zinc/49/37/43/399493743.db2.gz FVVRYHBDTWULKF-KFWWJZLASA-N 1 3 311.495 2.992 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCNc1ncc(Cl)cc1Cl ZINC000422795178 296333983 /nfs/dbraw/zinc/33/39/83/296333983.db2.gz ZUOAUSCCQBIHGZ-ZWNOBZJWSA-N 1 3 317.264 2.778 20 0 DFADHO COc1ccc2cc(CN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])ccc2c1 ZINC000422797761 296334716 /nfs/dbraw/zinc/33/47/16/296334716.db2.gz OJQAQAMLLWMSMM-UPRAQXHNSA-N 1 3 314.429 2.690 20 0 DFADHO CCN(CC)[C@H](CN[C@H](C)C[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000422793497 296334213 /nfs/dbraw/zinc/33/42/13/296334213.db2.gz FPROJBNYBBIKQR-IIDMSEBBSA-N 1 3 307.482 2.794 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422798338 296334785 /nfs/dbraw/zinc/33/47/85/296334785.db2.gz QRRXJENDEAEOTP-QAPCUYQASA-N 1 3 316.493 2.764 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422798338 296334786 /nfs/dbraw/zinc/33/47/86/296334786.db2.gz QRRXJENDEAEOTP-QAPCUYQASA-N 1 3 316.493 2.764 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1cccc(OC)c1 ZINC000422797595 296334943 /nfs/dbraw/zinc/33/49/43/296334943.db2.gz NNJCARYBBNTVES-RCCFBDPRSA-N 1 3 305.466 2.548 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)c1cccc(OC)c1 ZINC000422797595 296334944 /nfs/dbraw/zinc/33/49/44/296334944.db2.gz NNJCARYBBNTVES-RCCFBDPRSA-N 1 3 305.466 2.548 20 0 DFADHO CC(C)[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000269255132 207395113 /nfs/dbraw/zinc/39/51/13/207395113.db2.gz ROMPOTWMPWSWJT-KRWDZBQOSA-N 1 3 303.450 2.637 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cc(N(C)C)nc2ccccc12 ZINC000422807329 296336572 /nfs/dbraw/zinc/33/65/72/296336572.db2.gz MHJWQFNBFZKMLZ-PBHICJAKSA-N 1 3 312.461 2.779 20 0 DFADHO CCN(CC)C(=O)c1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422807272 296336591 /nfs/dbraw/zinc/33/65/91/296336591.db2.gz JPPFGFSDERBZOM-ZWKOTPCHSA-N 1 3 317.477 2.776 20 0 DFADHO CO[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000422807231 296336669 /nfs/dbraw/zinc/33/66/69/296336669.db2.gz JLJIHXIXEYSQJQ-KVSKMBFKSA-N 1 3 318.461 2.893 20 0 DFADHO CC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000422812227 296337721 /nfs/dbraw/zinc/33/77/21/296337721.db2.gz VWYKOTLKZNRWRK-JIRNRHONSA-N 1 3 313.489 2.696 20 0 DFADHO CC[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)N1CCc2ccccc2C1 ZINC000422812573 296337528 /nfs/dbraw/zinc/33/75/28/296337528.db2.gz WOQPNNCTRBVUJF-NSISKUIASA-N 1 3 315.505 2.801 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(COCC(F)(F)F)cc1 ZINC000422811593 296337598 /nfs/dbraw/zinc/33/75/98/296337598.db2.gz PKGRTHOIAGVSSQ-NWDGAFQWSA-N 1 3 304.356 2.981 20 0 DFADHO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)C[C@H]1CN ZINC000631841741 399506085 /nfs/dbraw/zinc/50/60/85/399506085.db2.gz PDSLJOBFWFVELB-GDBMZVCRSA-N 1 3 311.429 2.695 20 0 DFADHO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)C[C@H]1CN ZINC000631841741 399506089 /nfs/dbraw/zinc/50/60/89/399506089.db2.gz PDSLJOBFWFVELB-GDBMZVCRSA-N 1 3 311.429 2.695 20 0 DFADHO C[C@@H]1CN(CCC(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000631841741 399506091 /nfs/dbraw/zinc/50/60/91/399506091.db2.gz PDSLJOBFWFVELB-GDBMZVCRSA-N 1 3 311.429 2.695 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422821259 296339335 /nfs/dbraw/zinc/33/93/35/296339335.db2.gz VGHPSBRVKVIVOA-HUUCEWRRSA-N 1 3 321.431 2.758 20 0 DFADHO C[C@H](CCCC[NH3+])NCc1cccnc1OCC(F)(F)F ZINC000422822506 296339273 /nfs/dbraw/zinc/33/92/73/296339273.db2.gz BAYJQJFCELEDHD-LLVKDONJSA-N 1 3 305.344 2.630 20 0 DFADHO c1c(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc2ccccn12 ZINC000422815818 296338406 /nfs/dbraw/zinc/33/84/06/296338406.db2.gz CNNWRQAYQFVDTR-KZNAEPCWSA-N 1 3 312.461 2.777 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000422825348 296339965 /nfs/dbraw/zinc/33/99/65/296339965.db2.gz JOQOUPSCFMTRKS-DOMZBBRYSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1ccccc1Br ZINC000422825348 296339966 /nfs/dbraw/zinc/33/99/66/296339966.db2.gz JOQOUPSCFMTRKS-DOMZBBRYSA-N 1 3 311.267 2.969 20 0 DFADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1CN)c1ccc2c(c1)OCCO2 ZINC000422824991 296340124 /nfs/dbraw/zinc/34/01/24/296340124.db2.gz OVDMQYZFLCACPV-GOEBONIOSA-N 1 3 318.461 2.843 20 0 DFADHO COc1cc(CN[C@@H](C)C[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000422831422 296341055 /nfs/dbraw/zinc/34/10/55/296341055.db2.gz STHHQGQSPFKFFP-QWRGUYRKSA-N 1 3 320.355 2.852 20 0 DFADHO c1ccc(NCCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000422831321 296341201 /nfs/dbraw/zinc/34/12/01/296341201.db2.gz DRFUFRYHCIYQDG-GVDBMIGSSA-N 1 3 302.466 2.784 20 0 DFADHO c1ccc(NCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)nc1 ZINC000422831321 296341203 /nfs/dbraw/zinc/34/12/03/296341203.db2.gz DRFUFRYHCIYQDG-GVDBMIGSSA-N 1 3 302.466 2.784 20 0 DFADHO [NH3+]CC1CCC(NCc2nccn2CCc2ccccc2)CC1 ZINC000422826803 296340304 /nfs/dbraw/zinc/34/03/04/296340304.db2.gz CQJXHEYKFKVPEQ-UHFFFAOYSA-N 1 3 312.461 2.733 20 0 DFADHO Cc1ccc([C@H](CN[C@@H](C)[C@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000422826673 296340385 /nfs/dbraw/zinc/34/03/85/296340385.db2.gz LRUZYFCXLFENGC-WDSOQIARSA-N 1 3 301.478 2.720 20 0 DFADHO CCN(CC)[C@@H](CN[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000422836740 296341990 /nfs/dbraw/zinc/34/19/90/296341990.db2.gz RWUXJWSUVWFGCF-RTBURBONSA-N 1 3 303.494 2.671 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCC(=O)N1CCCCCC1 ZINC000422843008 296343167 /nfs/dbraw/zinc/34/31/67/296343167.db2.gz GRFAUNPOVXRLJT-IRXDYDNUSA-N 1 3 309.498 2.680 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](C)Oc1ccccc1Br ZINC000422842877 296343201 /nfs/dbraw/zinc/34/32/01/296343201.db2.gz ZJWMGVZLZHCZPM-SRVKXCTJSA-N 1 3 315.255 2.932 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCC(=O)NCc1ccccc1 ZINC000422848471 296344271 /nfs/dbraw/zinc/34/42/71/296344271.db2.gz TYALUZWGDDTHGU-FUHWJXTLSA-N 1 3 317.477 2.593 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1ccc(Oc2ccccc2)nc1 ZINC000422850497 296344795 /nfs/dbraw/zinc/34/47/95/296344795.db2.gz VXAQDDRWYNLCAL-MRXNPFEDSA-N 1 3 315.417 2.717 20 0 DFADHO Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)C[C@@H](C)N)cc2)n1 ZINC000422861650 296346358 /nfs/dbraw/zinc/34/63/58/296346358.db2.gz MUIIMJUJUJDGSB-ZIAGYGMSSA-N 1 3 300.450 2.747 20 0 DFADHO Cc1cc(C)n(-c2ccc(CCN[C@H](C)C[C@@H](C)[NH3+])cc2)n1 ZINC000422861650 296346359 /nfs/dbraw/zinc/34/63/59/296346359.db2.gz MUIIMJUJUJDGSB-ZIAGYGMSSA-N 1 3 300.450 2.747 20 0 DFADHO C[C@H](N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000422872823 296348099 /nfs/dbraw/zinc/34/80/99/296348099.db2.gz ITQQVDPBRSXMMU-UKBAYJJMSA-N 1 3 301.478 2.627 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2N)CN1Cc1ccccc1 ZINC000422873378 296348205 /nfs/dbraw/zinc/34/82/05/296348205.db2.gz LEEOQSKOFYSKBH-XGXHKWSGSA-N 1 3 301.478 2.899 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])CN1Cc1ccccc1 ZINC000422873378 296348206 /nfs/dbraw/zinc/34/82/06/296348206.db2.gz LEEOQSKOFYSKBH-XGXHKWSGSA-N 1 3 301.478 2.899 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422873663 296348234 /nfs/dbraw/zinc/34/82/34/296348234.db2.gz AYVJZERBFSYILO-AVGNSLFASA-N 1 3 304.438 2.747 20 0 DFADHO Cc1cc(C)n(-c2ccc(CCN[C@H](C)[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000422867672 296347265 /nfs/dbraw/zinc/34/72/65/296347265.db2.gz STXYMACRUAWEBG-SJLPKXTDSA-N 1 3 312.461 2.619 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCN1[C@H](C)CCC[C@@H]1C ZINC000422883132 296350216 /nfs/dbraw/zinc/35/02/16/296350216.db2.gz BQTDQQDTRLNGIA-ZMMAXQRCSA-N 1 3 303.494 2.797 20 0 DFADHO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H](C)C2CNC2)C1 ZINC000422881602 296349673 /nfs/dbraw/zinc/34/96/73/296349673.db2.gz QQPWVPVKWHWEST-UONOGXRCSA-N 1 3 307.869 2.672 20 0 DFADHO CC[C@@H](NCC1(N2CCC(OC)CC2)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422889757 296351296 /nfs/dbraw/zinc/35/12/96/296351296.db2.gz QMLZEIPKTRPELZ-MSOLQXFVSA-N 1 3 323.525 2.530 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422891133 296351424 /nfs/dbraw/zinc/35/14/24/296351424.db2.gz KCPWDEWQHSZKLW-TZMCWYRMSA-N 1 3 302.340 2.845 20 0 DFADHO COc1ccc(COCCC[NH2+][C@@H]2CCNCC[C@H]2C)cc1 ZINC000422902134 296353298 /nfs/dbraw/zinc/35/32/98/296353298.db2.gz DCTHUFCLYCUIRY-CRAIPNDOSA-N 1 3 306.450 2.580 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422902729 296353373 /nfs/dbraw/zinc/35/33/73/296353373.db2.gz VEHVZEKNTQKYSW-SJORKVTESA-N 1 3 302.466 2.822 20 0 DFADHO COc1ccc(COCCC[NH2+][C@@H]2CCNCC[C@@H]2C)cc1 ZINC000422902136 296353384 /nfs/dbraw/zinc/35/33/84/296353384.db2.gz DCTHUFCLYCUIRY-MAUKXSAKSA-N 1 3 306.450 2.580 20 0 DFADHO COc1ccc(C)cc1C1(CN[C@H]2CCC[C@H]2[NH3+])CCOCC1 ZINC000422902152 296353456 /nfs/dbraw/zinc/35/34/56/296353456.db2.gz TVBWSHZWDXKGNA-SJORKVTESA-N 1 3 318.461 2.521 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(Sc2ccccc2)CC1 ZINC000422902491 296353468 /nfs/dbraw/zinc/35/34/68/296353468.db2.gz DKFFYECFEMCGMP-BPUTZDHNSA-N 1 3 306.475 2.653 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422902491 296353469 /nfs/dbraw/zinc/35/34/69/296353469.db2.gz DKFFYECFEMCGMP-BPUTZDHNSA-N 1 3 306.475 2.653 20 0 DFADHO CC[C@H](NCc1cccc(OCCN(C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000422905811 296354311 /nfs/dbraw/zinc/35/43/11/296354311.db2.gz ZLRAXDMVISKDNG-OALUTQOASA-N 1 3 319.493 2.637 20 0 DFADHO CC[C@@H](Nc1cccc(OCCN(C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000422909601 296354567 /nfs/dbraw/zinc/35/45/67/296354567.db2.gz GLPNAFCRMBEYKY-MSOLQXFVSA-N 1 3 305.466 2.960 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000422917315 296355267 /nfs/dbraw/zinc/35/52/67/296355267.db2.gz CZXRVTPFOSZRNF-SKDRFNHKSA-N 1 3 319.232 2.770 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCOc1ccc(C(C)(C)C)cc1 ZINC000422929770 296356785 /nfs/dbraw/zinc/35/67/85/296356785.db2.gz RMKUMOOUCFHVTB-JCGIZDLHSA-N 1 3 320.477 2.705 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930130 296356961 /nfs/dbraw/zinc/35/69/61/296356961.db2.gz SGWVJIRYORXFPE-ZFWWWQNUSA-N 1 3 324.852 2.761 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000422933995 296357115 /nfs/dbraw/zinc/35/71/15/296357115.db2.gz BWQDHULILNQWOJ-VVLHAWIVSA-N 1 3 319.493 2.511 20 0 DFADHO COc1cc(OC)cc(OCCC[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000422931897 296357160 /nfs/dbraw/zinc/35/71/60/296357160.db2.gz YJEONKQVPMNHOV-KSSFIOAISA-N 1 3 322.449 2.580 20 0 DFADHO COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000422931895 296357202 /nfs/dbraw/zinc/35/72/02/296357202.db2.gz YJEONKQVPMNHOV-KBXCAEBGSA-N 1 3 322.449 2.580 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000422933994 296357229 /nfs/dbraw/zinc/35/72/29/296357229.db2.gz BWQDHULILNQWOJ-QAETUUGQSA-N 1 3 319.493 2.511 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOc1cccc(Br)c1 ZINC000422943346 296358625 /nfs/dbraw/zinc/35/86/25/296358625.db2.gz LCJPEEMREQYPJI-RISCZKNCSA-N 1 3 313.239 2.545 20 0 DFADHO COc1ccc(OCCC[N@@H+]2CCC[C@H]3CNCC[C@@H]32)cc1 ZINC000631887304 399519958 /nfs/dbraw/zinc/51/99/58/399519958.db2.gz QDYPAQLGTYDTNW-YJBOKZPZSA-N 1 3 304.434 2.538 20 0 DFADHO COc1ccc(OCCC[N@H+]2CCC[C@H]3CNCC[C@@H]32)cc1 ZINC000631887304 399519960 /nfs/dbraw/zinc/51/99/60/399519960.db2.gz QDYPAQLGTYDTNW-YJBOKZPZSA-N 1 3 304.434 2.538 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1cccc(Cl)c1Cl ZINC000422950114 296359794 /nfs/dbraw/zinc/35/97/94/296359794.db2.gz VHSOEYXOAFAEKK-VHRBIJSZSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422950114 296359795 /nfs/dbraw/zinc/35/97/95/296359795.db2.gz VHSOEYXOAFAEKK-VHRBIJSZSA-N 1 3 317.260 2.878 20 0 DFADHO CCc1noc(-c2ccc(CC[NH2+][C@H]3CCC[C@@H]3CN)cc2)n1 ZINC000422957638 296360898 /nfs/dbraw/zinc/36/08/98/296360898.db2.gz NUEWRUZPQCCKGL-CVEARBPZSA-N 1 3 314.433 2.559 20 0 DFADHO CC[C@](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000602695864 399524670 /nfs/dbraw/zinc/52/46/70/399524670.db2.gz PSJDZTZAPDRRLQ-VDZJLULYSA-N 1 3 318.461 2.580 20 0 DFADHO CC[C@](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000602695864 399524672 /nfs/dbraw/zinc/52/46/72/399524672.db2.gz PSJDZTZAPDRRLQ-VDZJLULYSA-N 1 3 318.461 2.580 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOc1ccccc1C(F)(F)F ZINC000422958076 296361121 /nfs/dbraw/zinc/36/11/21/296361121.db2.gz OLTBFTNVIIHZJQ-AAEUAGOBSA-N 1 3 302.340 2.801 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCOc1ccccc1C(C)(C)C ZINC000422960465 296361514 /nfs/dbraw/zinc/36/15/14/296361514.db2.gz WMQHOCPCIFPBLC-YQQAZPJKSA-N 1 3 320.477 2.705 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)C[C@@H](C)N ZINC000422968081 296362675 /nfs/dbraw/zinc/36/26/75/296362675.db2.gz VLZRIXHXKRKNOM-HUUCEWRRSA-N 1 3 300.450 2.829 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422968081 296362677 /nfs/dbraw/zinc/36/26/77/296362677.db2.gz VLZRIXHXKRKNOM-HUUCEWRRSA-N 1 3 300.450 2.829 20 0 DFADHO COCCCOc1cccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423001030 296366016 /nfs/dbraw/zinc/36/60/16/296366016.db2.gz HJZDRPMDUTVRJR-AEFFLSMTSA-N 1 3 306.450 2.709 20 0 DFADHO CC(C)CN1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000423005333 296366143 /nfs/dbraw/zinc/36/61/43/296366143.db2.gz RMPFAMLAMJEQSC-QXAKKESOSA-N 1 3 303.494 2.655 20 0 DFADHO CCC(CC)(CO)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423003218 296366165 /nfs/dbraw/zinc/36/61/65/296366165.db2.gz LBVFVSSZHHADPF-APWZRJJASA-N 1 3 318.461 2.631 20 0 DFADHO Cc1nn(C)c(C)c1CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423015184 296367754 /nfs/dbraw/zinc/36/77/54/296367754.db2.gz KEQNMYYOUILKHT-CEXWTWQISA-N 1 3 318.509 2.870 20 0 DFADHO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000423015184 296367756 /nfs/dbraw/zinc/36/77/56/296367756.db2.gz KEQNMYYOUILKHT-CEXWTWQISA-N 1 3 318.509 2.870 20 0 DFADHO C[C@@H](NCc1ccccc1CN(C)Cc1ccco1)C1C[NH2+]C1 ZINC000423011104 296367380 /nfs/dbraw/zinc/36/73/80/296367380.db2.gz YZXIKVQUQPDJOY-OAHLLOKOSA-N 1 3 313.445 2.609 20 0 DFADHO COc1cc(F)cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)c1 ZINC000423011268 296367449 /nfs/dbraw/zinc/36/74/49/296367449.db2.gz ATIYYETVYPFOEM-FZKQIMNGSA-N 1 3 302.393 2.882 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCSCC(F)(F)F ZINC000423018980 296368426 /nfs/dbraw/zinc/36/84/26/296368426.db2.gz SSIQCXPCUNBPCN-SECBINFHSA-N 1 3 307.385 2.795 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)[C@@H]1CCCCN1 ZINC000423018343 296368443 /nfs/dbraw/zinc/36/84/43/296368443.db2.gz YOYLKJLXUOWGTK-VYDXJSESSA-N 1 3 305.441 2.915 20 0 DFADHO COc1cccc(C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000423018204 296368619 /nfs/dbraw/zinc/36/86/19/296368619.db2.gz YJVWLBSOLWRHPF-RZRMAFQFSA-N 1 3 300.446 2.889 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H]3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000423021587 296368885 /nfs/dbraw/zinc/36/88/85/296368885.db2.gz CKEFAQWUELGMOM-VQIMIIECSA-N 1 3 316.493 2.756 20 0 DFADHO CCC(CC)(CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])C(=O)OC ZINC000423036033 296370202 /nfs/dbraw/zinc/37/02/02/296370202.db2.gz KOKTUYYGWWRUGT-GDBMZVCRSA-N 1 3 306.450 2.514 20 0 DFADHO COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423034908 296370347 /nfs/dbraw/zinc/37/03/47/296370347.db2.gz QQVVPTGDKNSVJI-DZGCQCFKSA-N 1 3 317.433 2.740 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H](C)[C@H]3CCC[NH2+]3)c2)CC1 ZINC000423029173 296369666 /nfs/dbraw/zinc/36/96/66/296369666.db2.gz RUSZUPAWYRBYJR-QFBILLFUSA-N 1 3 316.493 2.769 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC000423030872 296369934 /nfs/dbraw/zinc/36/99/34/296369934.db2.gz KBDRUYCQQUKJHD-GJZGRUSLSA-N 1 3 304.482 2.764 20 0 DFADHO C[C@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CC[NH2+]C1 ZINC000423038627 296370538 /nfs/dbraw/zinc/37/05/38/296370538.db2.gz DDZPNOPBFVTUOJ-RWMBFGLXSA-N 1 3 311.832 2.645 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423048174 296371789 /nfs/dbraw/zinc/37/17/89/296371789.db2.gz HSTAIUBEOFGQJE-SUMWQHHRSA-N 1 3 303.425 2.838 20 0 DFADHO Cc1oc2ccccc2c1CCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423050064 296372009 /nfs/dbraw/zinc/37/20/09/296372009.db2.gz LFCVISXZNPRDMM-CSMYWGQOSA-N 1 3 302.418 2.626 20 0 DFADHO Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000423050064 296372010 /nfs/dbraw/zinc/37/20/10/296372010.db2.gz LFCVISXZNPRDMM-CSMYWGQOSA-N 1 3 302.418 2.626 20 0 DFADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000423064873 296374274 /nfs/dbraw/zinc/37/42/74/296374274.db2.gz SHMVDDHGECCJTF-QRQLOZEOSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000423064873 296374275 /nfs/dbraw/zinc/37/42/75/296374275.db2.gz SHMVDDHGECCJTF-QRQLOZEOSA-N 1 3 301.478 2.629 20 0 DFADHO O[C@@H]1CCC[C@]1(CN[C@@H]1CCC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000423072435 296375015 /nfs/dbraw/zinc/37/50/15/296375015.db2.gz HJEDLIOXXZWVDP-GUDVDZBRSA-N 1 3 320.452 2.631 20 0 DFADHO C[C@](CO)(CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423077235 296375706 /nfs/dbraw/zinc/37/57/06/296375706.db2.gz LSKOCAQKPBQZQF-VNTMZGSJSA-N 1 3 316.489 2.738 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCCCOc1ccc(C(F)(F)F)cn1 ZINC000423082489 296375838 /nfs/dbraw/zinc/37/58/38/296375838.db2.gz WYYDYDPSZLINCJ-MNOVXSKESA-N 1 3 305.344 2.585 20 0 DFADHO C[C@@H](N)C[C@H](C)[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423082489 296375839 /nfs/dbraw/zinc/37/58/39/296375839.db2.gz WYYDYDPSZLINCJ-MNOVXSKESA-N 1 3 305.344 2.585 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423095652 296377922 /nfs/dbraw/zinc/37/79/22/296377922.db2.gz MUVAVHKRGFQHIY-VCQFHVMDSA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423095652 296377924 /nfs/dbraw/zinc/37/79/24/296377924.db2.gz MUVAVHKRGFQHIY-VCQFHVMDSA-N 1 3 308.853 2.928 20 0 DFADHO Fc1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423096471 296377988 /nfs/dbraw/zinc/37/79/88/296377988.db2.gz OXVNAFMOVOJBNV-RXABAKJHSA-N 1 3 318.436 2.818 20 0 DFADHO CSC1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423088900 296377286 /nfs/dbraw/zinc/37/72/86/296377286.db2.gz RFIFBKYUUZGZIG-GDBMZVCRSA-N 1 3 304.459 2.728 20 0 DFADHO Fc1ccccc1[C@H]1C[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423100679 296378321 /nfs/dbraw/zinc/37/83/21/296378321.db2.gz VLHYYPNNUQOAHP-HSANBRHQSA-N 1 3 318.436 2.818 20 0 DFADHO c1csc(N2CCC(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)n1 ZINC000423108111 296379243 /nfs/dbraw/zinc/37/92/43/296379243.db2.gz SSYLZFCIMWLYMF-BZUAXINKSA-N 1 3 320.506 2.622 20 0 DFADHO C[C@@H](N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)[C@H]1CC[NH2+]C1 ZINC000423109416 296379420 /nfs/dbraw/zinc/37/94/20/296379420.db2.gz NRXHGCWAWFNFEM-FCLUMBPUSA-N 1 3 310.388 2.852 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000120247298 195126712 /nfs/dbraw/zinc/12/67/12/195126712.db2.gz AASAJTOLXNMLJU-KXBFYZLASA-N 1 3 317.477 2.622 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423111359 296379774 /nfs/dbraw/zinc/37/97/74/296379774.db2.gz IXHZHEFQMJAKLG-XZOAIXRZSA-N 1 3 319.424 2.582 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCCc1c[nH]c2ccc(F)cc12 ZINC000423111359 296379775 /nfs/dbraw/zinc/37/97/75/296379775.db2.gz IXHZHEFQMJAKLG-XZOAIXRZSA-N 1 3 319.424 2.582 20 0 DFADHO CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)c2ccccc21 ZINC000624124097 399562576 /nfs/dbraw/zinc/56/25/76/399562576.db2.gz XEFPGQBHCFXCRZ-WMZOPIPTSA-N 1 3 315.461 2.806 20 0 DFADHO [NH3+][C@H]1CCC[C@@H]1NCCc1c[nH]c2cccc(Br)c12 ZINC000423120721 296380796 /nfs/dbraw/zinc/38/07/96/296380796.db2.gz HLPIJJIACSBKPN-STQMWFEESA-N 1 3 322.250 2.942 20 0 DFADHO C[C@@H]([NH2+]CCc1c[nH]c2cccc(Br)c12)C1CNC1 ZINC000423121343 296380915 /nfs/dbraw/zinc/38/09/15/296380915.db2.gz IJUULPMGIXATAM-SNVBAGLBSA-N 1 3 322.250 2.670 20 0 DFADHO C[C@@H](NCCc1c[nH]c2cccc(Br)c12)C1C[NH2+]C1 ZINC000423121343 296380916 /nfs/dbraw/zinc/38/09/16/296380916.db2.gz IJUULPMGIXATAM-SNVBAGLBSA-N 1 3 322.250 2.670 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423123702 296381076 /nfs/dbraw/zinc/38/10/76/296381076.db2.gz LQROWGMJTVSDAJ-MRTXSQPYSA-N 1 3 308.388 2.697 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1cc2ccccc2s1 ZINC000423129881 296382133 /nfs/dbraw/zinc/38/21/33/296382133.db2.gz FXZULMGIYZNRSH-MAZHCROVSA-N 1 3 304.459 2.786 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423129881 296382134 /nfs/dbraw/zinc/38/21/34/296382134.db2.gz FXZULMGIYZNRSH-MAZHCROVSA-N 1 3 304.459 2.786 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000423129512 296381828 /nfs/dbraw/zinc/38/18/28/296381828.db2.gz XEHSUENVCIMHKT-CZGNIMDHSA-N 1 3 324.468 2.701 20 0 DFADHO CCc1ccc([C@@H](CN[C@H](C)C2C[NH2+]C2)N(CC)CC)cc1 ZINC000423127193 296381992 /nfs/dbraw/zinc/38/19/92/296381992.db2.gz JQPAONCUHCSHNY-DNVCBOLYSA-N 1 3 303.494 2.829 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1cc(C(F)(F)F)ccn1 ZINC000423140527 296383983 /nfs/dbraw/zinc/38/39/83/296383983.db2.gz YVSJEXDRRSEFJC-FZMZJTMJSA-N 1 3 301.356 2.621 20 0 DFADHO C[C@@H](NC[C@H]1CCN(c2ccccc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000423141528 296383986 /nfs/dbraw/zinc/38/39/86/296383986.db2.gz QNDWSPFOMCIQQP-BFYDXBDKSA-N 1 3 305.441 2.772 20 0 DFADHO Cc1cc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)ccc1Cl ZINC000423141101 296384005 /nfs/dbraw/zinc/38/40/05/296384005.db2.gz NXYSYCIRQYILRT-KBAYOESNSA-N 1 3 322.880 2.938 20 0 DFADHO C[C@@H](N[C@H]1C[C@H](c2ccc(Br)cc2)C1)C1C[NH2+]C1 ZINC000423139787 296383493 /nfs/dbraw/zinc/38/34/93/296383493.db2.gz LGVFUSOQZPQAKV-IXPVHAAZSA-N 1 3 309.251 2.893 20 0 DFADHO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)C1CNC1 ZINC000423139787 296383495 /nfs/dbraw/zinc/38/34/95/296383495.db2.gz LGVFUSOQZPQAKV-IXPVHAAZSA-N 1 3 309.251 2.893 20 0 DFADHO Cc1cc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000423141099 296383718 /nfs/dbraw/zinc/38/37/18/296383718.db2.gz NXYSYCIRQYILRT-BPQIPLTHSA-N 1 3 322.880 2.938 20 0 DFADHO CSc1ccc([C@H](CN[C@@H]2CCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000423144013 296384433 /nfs/dbraw/zinc/38/44/33/296384433.db2.gz FXCGRYHEYWIXPB-UAGQMJEPSA-N 1 3 307.507 2.728 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000423146674 296384763 /nfs/dbraw/zinc/38/47/63/296384763.db2.gz PYBPKVBHTHJHRV-GPISYNIWSA-N 1 3 310.388 2.684 20 0 DFADHO Cc1cccnc1CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423159307 296386483 /nfs/dbraw/zinc/38/64/83/296386483.db2.gz XUJAOGZNRFPHSO-QUCCMNQESA-N 1 3 323.440 2.778 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC1(N(C)Cc2ccccc2)CCC1 ZINC000423159216 296386498 /nfs/dbraw/zinc/38/64/98/296386498.db2.gz XPHNFAPQXWUYEB-AEFFLSMTSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@H](NCCOc1ccc(Cl)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000423159684 296386553 /nfs/dbraw/zinc/38/65/53/296386553.db2.gz PSDDCLIYMKIDJR-QWRGUYRKSA-N 1 3 303.233 2.960 20 0 DFADHO COc1ccc([C@H](CO)CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000423171507 296387819 /nfs/dbraw/zinc/38/78/19/296387819.db2.gz ORZWKLAPPVXACC-RYQLBKOJSA-N 1 3 320.477 2.672 20 0 DFADHO Brc1cccc2c1C[C@H]([NH2+]C1CCNCC1)CC2 ZINC000423177395 296388489 /nfs/dbraw/zinc/38/84/89/296388489.db2.gz DUEXIWRWYAGWGM-CYBMUJFWSA-N 1 3 309.251 2.648 20 0 DFADHO Brc1cccc2c1C[C@H](NC1CC[NH2+]CC1)CC2 ZINC000423177395 296388491 /nfs/dbraw/zinc/38/84/91/296388491.db2.gz DUEXIWRWYAGWGM-CYBMUJFWSA-N 1 3 309.251 2.648 20 0 DFADHO Clc1ccccc1C[C@H]([NH2+]C1CCNCC1)[C@H]1CCCO1 ZINC000423185880 296389829 /nfs/dbraw/zinc/38/98/29/296389829.db2.gz NUMXOFXWTKJXOO-DLBZAZTESA-N 1 3 308.853 2.772 20 0 DFADHO C[C@H](NCCN1CC[NH2+]CC1)c1cc2cc(Cl)ccc2o1 ZINC000423199210 296391674 /nfs/dbraw/zinc/39/16/74/296391674.db2.gz AUKJDYADMNTZKI-LBPRGKRZSA-N 1 3 307.825 2.642 20 0 DFADHO CC(C)c1ccc2c(c1)[C@H](NCCN1CC[NH2+]CC1)CCCO2 ZINC000423206318 296392323 /nfs/dbraw/zinc/39/23/23/296392323.db2.gz QJUKXMCAURPADA-GOSISDBHSA-N 1 3 317.477 2.519 20 0 DFADHO C[C@@H](N[C@@H](C)c1cccc(N2CCOCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000423219913 296393763 /nfs/dbraw/zinc/39/37/63/296393763.db2.gz UWFJCTDQMBPIOD-JZXOWHBKSA-N 1 3 317.477 2.562 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000423222001 296393910 /nfs/dbraw/zinc/39/39/10/296393910.db2.gz ZBNFZLZVTDKFCH-QILLFSRXSA-N 1 3 308.441 2.751 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423222001 296393911 /nfs/dbraw/zinc/39/39/11/296393911.db2.gz ZBNFZLZVTDKFCH-QILLFSRXSA-N 1 3 308.441 2.751 20 0 DFADHO C[C@H](NC1CCC([NH3+])CC1)c1ncc(Br)cc1F ZINC000423232464 296395216 /nfs/dbraw/zinc/39/52/16/296395216.db2.gz MRPOVNWNDZQTRY-PUSIOWJLSA-N 1 3 316.218 2.904 20 0 DFADHO COC[C@@H](NCC[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423242666 296396335 /nfs/dbraw/zinc/39/63/35/296396335.db2.gz FNECHHLXOQAFFP-IUODEOHRSA-N 1 3 316.367 2.982 20 0 DFADHO CC(C)CCOc1ccc(C[NH2+]CC2(N)CCOCC2)cc1 ZINC000629386452 399589810 /nfs/dbraw/zinc/58/98/10/399589810.db2.gz AFHDTYVXGVPIDN-UHFFFAOYSA-N 1 3 306.450 2.709 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423263625 296398274 /nfs/dbraw/zinc/39/82/74/296398274.db2.gz BFFXPVPQXDTUED-BFYDXBDKSA-N 1 3 303.450 2.535 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423263625 296398276 /nfs/dbraw/zinc/39/82/76/296398276.db2.gz BFFXPVPQXDTUED-BFYDXBDKSA-N 1 3 303.450 2.535 20 0 DFADHO CCCC1CCC(CNCc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000629407031 399594953 /nfs/dbraw/zinc/59/49/53/399594953.db2.gz VUKFXNQATYZMDL-DQPZFDDXSA-N 1 3 305.470 2.509 20 0 DFADHO CCC([NH3+])(CC)CN[C@H](C)c1cccc(OCCN(C)C)c1 ZINC000423282877 296400646 /nfs/dbraw/zinc/40/06/46/296400646.db2.gz DFIVHCQWHNSWGJ-OAHLLOKOSA-N 1 3 307.482 2.795 20 0 DFADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423274790 296399750 /nfs/dbraw/zinc/39/97/50/296399750.db2.gz MLQCFCUEIFACCC-ZVZYQTTQSA-N 1 3 315.461 2.982 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1cccc(OCCN(C)C)c1 ZINC000156404641 197111211 /nfs/dbraw/zinc/11/12/11/197111211.db2.gz VKMUMGVWDVCUGZ-CRAIPNDOSA-N 1 3 306.450 2.847 20 0 DFADHO Cc1cc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cs1 ZINC000423376151 296410316 /nfs/dbraw/zinc/41/03/16/296410316.db2.gz AQRJTZXHGCQUEA-WCQYABFASA-N 1 3 321.412 2.543 20 0 DFADHO CC[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000423382580 296411068 /nfs/dbraw/zinc/41/10/68/296411068.db2.gz GNAWWEZNLCNDFC-CHWSQXEVSA-N 1 3 321.412 2.625 20 0 DFADHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423387083 296411290 /nfs/dbraw/zinc/41/12/90/296411290.db2.gz HMFAEYLWNOUMNO-MLGOLLRUSA-N 1 3 309.404 2.521 20 0 DFADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423407633 296413362 /nfs/dbraw/zinc/41/33/62/296413362.db2.gz WEDSDTQKGXMZCV-HFBAOOFYSA-N 1 3 323.278 2.894 20 0 DFADHO OC1CC[NH+](CCCN[C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000305756218 285245263 /nfs/dbraw/zinc/24/52/63/285245263.db2.gz AHXSLZSAAHTDAG-GOSISDBHSA-N 1 3 306.425 2.640 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@]1(C)C(C)C ZINC000356445175 285248605 /nfs/dbraw/zinc/24/86/05/285248605.db2.gz JBTQLKSZJNQHFW-ZHALLVOQSA-N 1 3 323.525 2.543 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@]1(C)C(C)C ZINC000356445175 285248609 /nfs/dbraw/zinc/24/86/09/285248609.db2.gz JBTQLKSZJNQHFW-ZHALLVOQSA-N 1 3 323.525 2.543 20 0 DFADHO Brc1ccccc1C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000423441316 296417012 /nfs/dbraw/zinc/41/70/12/296417012.db2.gz YDWOKFUHZWBUST-LQKXBSAESA-N 1 3 321.262 2.578 20 0 DFADHO CC[N@@H+]1CC[C@H](NCc2ccc(F)c(CN(C)C)c2)[C@H](C)C1 ZINC000120874261 195255423 /nfs/dbraw/zinc/25/54/23/195255423.db2.gz QKSARTSJDZSVRB-KDOFPFPSSA-N 1 3 307.457 2.707 20 0 DFADHO CC[N@H+]1CC[C@H](NCc2ccc(F)c(CN(C)C)c2)[C@H](C)C1 ZINC000120874261 195255425 /nfs/dbraw/zinc/25/54/25/195255425.db2.gz QKSARTSJDZSVRB-KDOFPFPSSA-N 1 3 307.457 2.707 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccc(F)c(CN(C)C)c2)[C@H](C)C1 ZINC000120874261 195255426 /nfs/dbraw/zinc/25/54/26/195255426.db2.gz QKSARTSJDZSVRB-KDOFPFPSSA-N 1 3 307.457 2.707 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@@H](C)C1 ZINC000289688284 221155198 /nfs/dbraw/zinc/15/51/98/221155198.db2.gz IAXVINYEOAETPM-YJBOKZPZSA-N 1 3 316.493 2.810 20 0 DFADHO Cc1cccc2c1C[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)CO2 ZINC000629515639 399631734 /nfs/dbraw/zinc/63/17/34/399631734.db2.gz VIPMNUWRBITJGQ-GOEBONIOSA-N 1 3 311.429 2.811 20 0 DFADHO Cc1cccc2c1C[C@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)CO2 ZINC000629515640 399631774 /nfs/dbraw/zinc/63/17/74/399631774.db2.gz VIPMNUWRBITJGQ-HOCLYGCPSA-N 1 3 311.429 2.811 20 0 DFADHO Cc1cccc2c1C[C@@H]([NH2+][C@H](C)c1ccc(CN)nc1C)CO2 ZINC000629515638 399631354 /nfs/dbraw/zinc/63/13/54/399631354.db2.gz VIPMNUWRBITJGQ-GDBMZVCRSA-N 1 3 311.429 2.811 20 0 DFADHO FC(F)CN1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000629520851 399633699 /nfs/dbraw/zinc/63/36/99/399633699.db2.gz XXPUZAGFXYLPDY-LVQVYYBASA-N 1 3 315.452 2.616 20 0 DFADHO [NH3+]C1(CN[C@H](Cc2ccccc2Cl)C2CC2)CCOCC1 ZINC000629520068 399634215 /nfs/dbraw/zinc/63/42/15/399634215.db2.gz KDJCKCRZMZXATE-MRXNPFEDSA-N 1 3 308.853 2.759 20 0 DFADHO Cc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc(N2CCCC2)n1 ZINC000289913250 221312163 /nfs/dbraw/zinc/31/21/63/221312163.db2.gz ULWOUUMEPICEKU-UWWQBHOKSA-N 1 3 316.493 2.809 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(Br)nc1 ZINC000289974216 221354014 /nfs/dbraw/zinc/35/40/14/221354014.db2.gz XNHLZRBUVQGASI-VXGBXAGGSA-N 1 3 324.266 2.979 20 0 DFADHO [NH3+]CCCOCCN[C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000629534460 399639140 /nfs/dbraw/zinc/63/91/40/399639140.db2.gz AIWVTHQTKPVDFB-SFHVURJKSA-N 1 3 318.461 2.734 20 0 DFADHO C[C@@H](NCCOCCC[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000629536194 399639326 /nfs/dbraw/zinc/63/93/26/399639326.db2.gz GAWNXVKJASXMHU-LLVKDONJSA-N 1 3 306.328 2.601 20 0 DFADHO C[C@H](NCCOCCC[NH3+])c1cc(Cl)ccc1OC(F)F ZINC000629537750 399640177 /nfs/dbraw/zinc/64/01/77/399640177.db2.gz KWCYLIMBRQZYBR-JTQLQIEISA-N 1 3 322.783 2.957 20 0 DFADHO [NH3+]CCCOCCNC1c2ccccc2CCc2ccccc21 ZINC000629540541 399640269 /nfs/dbraw/zinc/64/02/69/399640269.db2.gz VQADZWLHARNNMI-UHFFFAOYSA-N 1 3 310.441 2.830 20 0 DFADHO [NH3+]CCCOCCN[C@@H]1CCSc2ccc(Cl)cc21 ZINC000629537622 399640478 /nfs/dbraw/zinc/64/04/78/399640478.db2.gz KBESIKIBLPVGIB-CYBMUJFWSA-N 1 3 300.855 2.832 20 0 DFADHO CC[C@@H](c1ccc(Br)cc1)N(C)CCOCC[NH3+] ZINC000629577442 399653296 /nfs/dbraw/zinc/65/32/96/399653296.db2.gz IAQMRMXOTJPSBO-AWEZNQCLSA-N 1 3 315.255 2.807 20 0 DFADHO CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)CN1CCCC1)CC2 ZINC000629575583 399653335 /nfs/dbraw/zinc/65/33/35/399653335.db2.gz JKNHGYBLRMUMSL-IEBWSBKVSA-N 1 3 302.462 2.844 20 0 DFADHO CC(C)c1ccc(C[C@@H](C)NC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629574912 399653398 /nfs/dbraw/zinc/65/33/98/399653398.db2.gz LSMWKZKTMNEEDR-APWZRJJASA-N 1 3 304.478 2.787 20 0 DFADHO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)CC2 ZINC000629575585 399653916 /nfs/dbraw/zinc/65/39/16/399653916.db2.gz JKNHGYBLRMUMSL-MJGOQNOKSA-N 1 3 302.462 2.844 20 0 DFADHO O[C@@H](CNCC1(Cc2cccc(Cl)c2)CC1)C[NH+]1CCCC1 ZINC000629580027 399654028 /nfs/dbraw/zinc/65/40/28/399654028.db2.gz KTLYXKIWAKDQLJ-KRWDZBQOSA-N 1 3 322.880 2.709 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)C1 ZINC000629544639 399642696 /nfs/dbraw/zinc/64/26/96/399642696.db2.gz JTAUJSUPNOZEDD-HZSPNIEDSA-N 1 3 311.832 2.917 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)C(=O)N1CCCC1 ZINC000629549587 399643446 /nfs/dbraw/zinc/64/34/46/399643446.db2.gz SKYKEGZJGUVVLV-CVEARBPZSA-N 1 3 309.498 2.535 20 0 DFADHO C[C@@H]([C@H](C)NCc1cn([C@H]2CC[NH2+]C2)nn1)C1CCCCC1 ZINC000629554040 399646818 /nfs/dbraw/zinc/64/68/18/399646818.db2.gz YSIVNTICZZDXGL-ZQIUZPCESA-N 1 3 305.470 2.507 20 0 DFADHO COc1ccc([C@H](CN)C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC000629552800 399646944 /nfs/dbraw/zinc/64/69/44/399646944.db2.gz QJIPYHDUARNZQC-KCQAQPDRSA-N 1 3 312.404 2.961 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556500 399648109 /nfs/dbraw/zinc/64/81/09/399648109.db2.gz RAZUDFLRQPVIIO-PEYYIBSZSA-N 1 3 321.852 2.706 20 0 DFADHO C[NH2+]CCOCCN(C)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000629571211 399652518 /nfs/dbraw/zinc/65/25/18/399652518.db2.gz JJHOZLCNHLPRPR-LBPRGKRZSA-N 1 3 302.365 2.517 20 0 DFADHO COc1ccc(-c2ccccc2)cc1CNCCOCCC[NH3+] ZINC000629681672 399688081 /nfs/dbraw/zinc/68/80/81/399688081.db2.gz TWWVERFRABSSBE-UHFFFAOYSA-N 1 3 314.429 2.817 20 0 DFADHO Cn1ccc(C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1 ZINC000629649089 399675031 /nfs/dbraw/zinc/67/50/31/399675031.db2.gz HQGGRCABOAYVNU-FUHWJXTLSA-N 1 3 301.409 2.647 20 0 DFADHO C[C@H]([NH3+])Cc1cccc(-c2ccccc2CN2CCN(C)CC2)c1 ZINC000629735117 399707502 /nfs/dbraw/zinc/70/75/02/399707502.db2.gz ITPWYSNDMKRIIU-KRWDZBQOSA-N 1 3 323.484 2.991 20 0 DFADHO C[C@H](N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000090115646 542534726 /nfs/dbraw/zinc/53/47/26/542534726.db2.gz NXNNTTXMVRLIMR-RLFYNMQTSA-N 1 3 315.461 2.500 20 0 DFADHO CC[C@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC000093502017 542552978 /nfs/dbraw/zinc/55/29/78/542552978.db2.gz MYWYVZLXLHVNBY-KRWDZBQOSA-N 1 3 308.491 2.954 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCCC[C@H]1C ZINC000617504802 399720804 /nfs/dbraw/zinc/72/08/04/399720804.db2.gz KTGMDFQHVYWKMR-IKGGRYGDSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCCC[C@H]1C ZINC000617504802 399720807 /nfs/dbraw/zinc/72/08/07/399720807.db2.gz KTGMDFQHVYWKMR-IKGGRYGDSA-N 1 3 311.514 2.591 20 0 DFADHO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000348104012 285351674 /nfs/dbraw/zinc/35/16/74/285351674.db2.gz NHYRUNKAVAAACL-OALUTQOASA-N 1 3 301.478 2.712 20 0 DFADHO CN(C)CCN(CC1CCCCC1)C(=O)CCC1CC[NH2+]CC1 ZINC000423761868 296444651 /nfs/dbraw/zinc/44/46/51/296444651.db2.gz PLJUEJCLVGYZRS-UHFFFAOYSA-N 1 3 323.525 2.737 20 0 DFADHO COc1cc(C[N@H+](C)C[C@@H]2CCN(C)C2)ccc1OC(F)F ZINC000120975922 195275184 /nfs/dbraw/zinc/27/51/84/195275184.db2.gz HBCOMMFHMDNZFA-CYBMUJFWSA-N 1 3 314.376 2.680 20 0 DFADHO COc1cc(C[N@@H+](C)C[C@@H]2CCN(C)C2)ccc1OC(F)F ZINC000120975922 195275186 /nfs/dbraw/zinc/27/51/86/195275186.db2.gz HBCOMMFHMDNZFA-CYBMUJFWSA-N 1 3 314.376 2.680 20 0 DFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC000121101318 195293332 /nfs/dbraw/zinc/29/33/32/195293332.db2.gz NCRIQRJXMTXPAZ-JKSUJKDBSA-N 1 3 307.457 2.750 20 0 DFADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@H](O)CC(F)(F)F ZINC000626063196 399742786 /nfs/dbraw/zinc/74/27/86/399742786.db2.gz VFPYYNMEHSPKHV-OAHLLOKOSA-N 1 3 318.383 2.883 20 0 DFADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@H](O)CC(F)(F)F ZINC000626063196 399742788 /nfs/dbraw/zinc/74/27/88/399742788.db2.gz VFPYYNMEHSPKHV-OAHLLOKOSA-N 1 3 318.383 2.883 20 0 DFADHO CCC[NH+]1CCC(NCc2ccccc2OCCN(C)C)CC1 ZINC000122268785 542588497 /nfs/dbraw/zinc/58/84/97/542588497.db2.gz LUOHNKUBSNLLMZ-UHFFFAOYSA-N 1 3 319.493 2.591 20 0 DFADHO CCCc1ccc(C[NH2+]C2CCN(CCN(C)C)CC2)s1 ZINC000621328176 399755805 /nfs/dbraw/zinc/75/58/05/399755805.db2.gz JJDFHSVMPKAYBA-UHFFFAOYSA-N 1 3 309.523 2.816 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC(=O)CN(C)C2CCC2)c1 ZINC000629949712 399763917 /nfs/dbraw/zinc/76/39/17/399763917.db2.gz LFMQEHLZVOVJIY-UHFFFAOYSA-N 1 3 317.477 2.629 20 0 DFADHO Fc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CC2 ZINC000132998832 542644369 /nfs/dbraw/zinc/64/43/69/542644369.db2.gz KMTSRQKNBHXAOL-LIRRHRJNSA-N 1 3 318.436 2.904 20 0 DFADHO c1ccc(CCOCCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166234816 542749503 /nfs/dbraw/zinc/74/95/03/542749503.db2.gz ZKGXFBCVNYCIGR-RTBURBONSA-N 1 3 302.462 2.852 20 0 DFADHO c1ccc(CCOCCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166234816 542749506 /nfs/dbraw/zinc/74/95/06/542749506.db2.gz ZKGXFBCVNYCIGR-RTBURBONSA-N 1 3 302.462 2.852 20 0 DFADHO [NH3+]C1(CC(=O)NCc2ccccc2CN2CCCCC2)CCC1 ZINC000163891340 542744489 /nfs/dbraw/zinc/74/44/89/542744489.db2.gz GQEXMAJYFKQPPY-UHFFFAOYSA-N 1 3 315.461 2.560 20 0 DFADHO CC(C)C[C@@H](N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167617850 542753276 /nfs/dbraw/zinc/75/32/76/542753276.db2.gz WVZBEXQSCXCSCE-GOEBONIOSA-N 1 3 305.466 2.605 20 0 DFADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N(CC)CC ZINC000348418474 285536693 /nfs/dbraw/zinc/53/66/93/285536693.db2.gz VCUSTHGKPWPUAR-SJORKVTESA-N 1 3 309.498 2.584 20 0 DFADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(OCCN(C)C)c1 ZINC000178313531 542776634 /nfs/dbraw/zinc/77/66/34/542776634.db2.gz BHJUUQBMWGHQOE-PILAGYSTSA-N 1 3 304.434 2.598 20 0 DFADHO C[C@H]1C[C@@H](NCCc2nc(-c3ccccn3)cs2)CC[N@@H+]1C ZINC000181009966 542787272 /nfs/dbraw/zinc/78/72/72/542787272.db2.gz NGMXWDDMOXEJFW-KBPBESRZSA-N 1 3 316.474 2.820 20 0 DFADHO C[C@H]1C[C@@H](NCCc2nc(-c3ccccn3)cs2)CC[N@H+]1C ZINC000181009966 542787276 /nfs/dbraw/zinc/78/72/76/542787276.db2.gz NGMXWDDMOXEJFW-KBPBESRZSA-N 1 3 316.474 2.820 20 0 DFADHO CCCCN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000348525940 285585348 /nfs/dbraw/zinc/58/53/48/285585348.db2.gz QHNZXACJUFRLFJ-UHFFFAOYSA-N 1 3 305.466 2.549 20 0 DFADHO COc1cc2c(cc1OC)[C@@H]([NH2+]CCCN1CCCC1)CC2 ZINC000280180404 542987008 /nfs/dbraw/zinc/98/70/08/542987008.db2.gz RPCRSNPEUSZPBU-INIZCTEOSA-N 1 3 304.434 2.767 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000424417379 296508029 /nfs/dbraw/zinc/50/80/29/296508029.db2.gz ADLVRYPJZWTFEX-UHFFFAOYSA-N 1 3 318.465 2.841 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2cccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000293774017 543021929 /nfs/dbraw/zinc/02/19/29/543021929.db2.gz SKJKDWJGPQGKJM-OCCSQVGLSA-N 1 3 315.383 2.963 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2cccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000293774017 543021931 /nfs/dbraw/zinc/02/19/31/543021931.db2.gz SKJKDWJGPQGKJM-OCCSQVGLSA-N 1 3 315.383 2.963 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc2c1CCNC2 ZINC000322294188 543088729 /nfs/dbraw/zinc/08/87/29/543088729.db2.gz RWPHFLDPMMISHR-OAHLLOKOSA-N 1 3 317.477 2.573 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccnc2C)[C@@H](C)C1 ZINC000604418271 399845702 /nfs/dbraw/zinc/84/57/02/399845702.db2.gz OWUYXKGBAQMJNF-MAUKXSAKSA-N 1 3 305.466 2.617 20 0 DFADHO COc1ccc(COCCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339067218 543140235 /nfs/dbraw/zinc/14/02/35/543140235.db2.gz FKYCVDLFRFYYNG-ROUUACIJSA-N 1 3 318.461 2.818 20 0 DFADHO COc1ccc(COCCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339067218 543140238 /nfs/dbraw/zinc/14/02/38/543140238.db2.gz FKYCVDLFRFYYNG-ROUUACIJSA-N 1 3 318.461 2.818 20 0 DFADHO Cc1nc2ccccc2n1CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070259 543140282 /nfs/dbraw/zinc/14/02/82/543140282.db2.gz ZWVREICJEOJFQJ-SJORKVTESA-N 1 3 312.461 2.951 20 0 DFADHO Cc1nc2ccccc2n1CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070259 543140285 /nfs/dbraw/zinc/14/02/85/543140285.db2.gz ZWVREICJEOJFQJ-SJORKVTESA-N 1 3 312.461 2.951 20 0 DFADHO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000339070259 543140288 /nfs/dbraw/zinc/14/02/88/543140288.db2.gz ZWVREICJEOJFQJ-SJORKVTESA-N 1 3 312.461 2.951 20 0 DFADHO C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1(N2CCSCC2)CCCC1 ZINC000339076604 543140304 /nfs/dbraw/zinc/14/03/04/543140304.db2.gz VAOXKUCJLTZXDL-IRXDYDNUSA-N 1 3 323.550 2.564 20 0 DFADHO C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1(N2CCSCC2)CCCC1 ZINC000339076604 543140307 /nfs/dbraw/zinc/14/03/07/543140307.db2.gz VAOXKUCJLTZXDL-IRXDYDNUSA-N 1 3 323.550 2.564 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000339233461 543142152 /nfs/dbraw/zinc/14/21/52/543142152.db2.gz CNRFVRSXMOVXOI-SJLPKXTDSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000339233461 543142154 /nfs/dbraw/zinc/14/21/54/543142154.db2.gz CNRFVRSXMOVXOI-SJLPKXTDSA-N 1 3 317.477 2.670 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](CCCOc2ccc(OC)cc2)C1 ZINC000072858112 145190402 /nfs/dbraw/zinc/19/04/02/145190402.db2.gz SVNOPSDNRJZVRK-MRXNPFEDSA-N 1 3 306.450 2.738 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](CCCOc2ccc(OC)cc2)C1 ZINC000072858112 145190405 /nfs/dbraw/zinc/19/04/05/145190405.db2.gz SVNOPSDNRJZVRK-MRXNPFEDSA-N 1 3 306.450 2.738 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CCOCC1 ZINC000165347484 145229414 /nfs/dbraw/zinc/22/94/14/145229414.db2.gz JCAVKIUHBRDUSB-IEBWSBKVSA-N 1 3 316.489 2.956 20 0 DFADHO CCOc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)ccc1OC ZINC000168811866 145244225 /nfs/dbraw/zinc/24/42/25/145244225.db2.gz FGICBCFJOOMQPK-SQWLQELKSA-N 1 3 306.450 2.912 20 0 DFADHO C[C@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](N)c1ccccc1 ZINC000168987205 145246477 /nfs/dbraw/zinc/24/64/77/145246477.db2.gz WUHITGGJTBJISI-BHYGNILZSA-N 1 3 319.493 2.805 20 0 DFADHO CC(C)(C)N1CCCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000634037633 399977009 /nfs/dbraw/zinc/97/70/09/399977009.db2.gz ZMSQXEBSGSITKX-UHFFFAOYSA-N 1 3 324.513 2.554 20 0 DFADHO CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000178114371 145505222 /nfs/dbraw/zinc/50/52/22/145505222.db2.gz CUDYHRCJGYGUDJ-QAPCUYQASA-N 1 3 308.466 2.685 20 0 DFADHO c1cc([C@@H]2OCC[C@H]2[NH2+]C2CCN(c3ccncc3)CC2)ccn1 ZINC000628455383 400032720 /nfs/dbraw/zinc/03/27/20/400032720.db2.gz UMOLHYCDJCXSIU-MOPGFXCFSA-N 1 3 324.428 2.565 20 0 DFADHO CN(C)c1c(CN(C)CC2CC[NH+](C)CC2)ccc(F)c1F ZINC000628163746 399994199 /nfs/dbraw/zinc/99/41/99/399994199.db2.gz QBRCJRITFMMBFP-UHFFFAOYSA-N 1 3 311.420 2.804 20 0 DFADHO Cc1ccc([C@@H](C)C[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000628202329 400000818 /nfs/dbraw/zinc/00/08/18/400000818.db2.gz PEPBSVBJFXZQOV-SFHVURJKSA-N 1 3 303.494 2.716 20 0 DFADHO Cc1nc(C)c(C[NH2+]CC2CCN(c3ccncc3)CC2)o1 ZINC000628232214 400005130 /nfs/dbraw/zinc/00/51/30/400005130.db2.gz QFFNAJDVTGLBBB-UHFFFAOYSA-N 1 3 300.406 2.693 20 0 DFADHO Cc1ccc([C@@H](C)CN2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000628323082 400020631 /nfs/dbraw/zinc/02/06/31/400020631.db2.gz YWQKWGZKNJFLAX-KRWDZBQOSA-N 1 3 302.462 2.895 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000631661628 400063249 /nfs/dbraw/zinc/06/32/49/400063249.db2.gz AMRKBJGQDQGLIO-LCLWPZTBSA-N 1 3 315.505 2.827 20 0 DFADHO CCOC1CC([NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000631661644 400063261 /nfs/dbraw/zinc/06/32/61/400063261.db2.gz ARHBNIBJUYBVCI-SVUBNXHSSA-N 1 3 302.462 2.912 20 0 DFADHO COC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000631665661 400064032 /nfs/dbraw/zinc/06/40/32/400064032.db2.gz XCSZGLROFBFRRJ-LZQZEXGQSA-N 1 3 302.462 2.769 20 0 DFADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000631700929 400068422 /nfs/dbraw/zinc/06/84/22/400068422.db2.gz LMCNHMOPDHFFGO-BSXFFOKHSA-N 1 3 306.450 2.844 20 0 DFADHO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000631700933 400068435 /nfs/dbraw/zinc/06/84/35/400068435.db2.gz LMCNHMOPDHFFGO-LLDVTBCESA-N 1 3 306.450 2.844 20 0 DFADHO NC[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1c1ccccc1 ZINC000631825164 400077996 /nfs/dbraw/zinc/07/79/96/400077996.db2.gz AYKZBDMQQHGKCP-CTNGQTDRSA-N 1 3 322.452 2.934 20 0 DFADHO NC[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1c1ccccc1 ZINC000631825164 400077997 /nfs/dbraw/zinc/07/79/97/400077997.db2.gz AYKZBDMQQHGKCP-CTNGQTDRSA-N 1 3 322.452 2.934 20 0 DFADHO Cc1cc(C)c(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(C)n1 ZINC000631828324 400078211 /nfs/dbraw/zinc/07/82/11/400078211.db2.gz LPULEUUONVSMSC-RTBURBONSA-N 1 3 317.477 2.725 20 0 DFADHO C[C@@H]1CN(Cc2cccc(OCc3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000631837003 400078766 /nfs/dbraw/zinc/07/87/66/400078766.db2.gz LJJUBDRVXBBWDO-WBVHZDCISA-N 1 3 311.429 2.687 20 0 DFADHO C[C@H]1CN(Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C[NH3+] ZINC000631840902 400078853 /nfs/dbraw/zinc/07/88/53/400078853.db2.gz VZOBJEVXDROQAK-MAUKXSAKSA-N 1 3 311.429 2.687 20 0 DFADHO C[C@H]1CN(Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000631839826 400078968 /nfs/dbraw/zinc/07/89/68/400078968.db2.gz LKCSOFUDYNYBNN-WCQYABFASA-N 1 3 302.340 2.654 20 0 DFADHO C[C@H]1CN(Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000631840042 400079039 /nfs/dbraw/zinc/07/90/39/400079039.db2.gz OVDPKKSGQUZIOI-WCQYABFASA-N 1 3 302.340 2.654 20 0 DFADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000219323909 146000047 /nfs/dbraw/zinc/00/00/47/146000047.db2.gz YHIQQHRSRWLKPR-GFCCVEGCSA-N 1 3 302.365 2.517 20 0 DFADHO c1ccc(CN2CCC[C@@H]([NH2+]C[C@@H]3CCN(C4CC4)C3)C2)cc1 ZINC000236586833 146022007 /nfs/dbraw/zinc/02/20/07/146022007.db2.gz KSPTZZXKXIIEJF-RBUKOAKNSA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(CN2CCC[C@@H](NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000236586833 146022009 /nfs/dbraw/zinc/02/20/09/146022009.db2.gz KSPTZZXKXIIEJF-RBUKOAKNSA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(CN2CCC[C@@H](NC[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000236586833 146022012 /nfs/dbraw/zinc/02/20/12/146022012.db2.gz KSPTZZXKXIIEJF-RBUKOAKNSA-N 1 3 313.489 2.725 20 0 DFADHO CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000236767174 146025938 /nfs/dbraw/zinc/02/59/38/146025938.db2.gz IENWXJDYZRSTPP-QZTJIDSGSA-N 1 3 317.477 2.675 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236986095 146034308 /nfs/dbraw/zinc/03/43/08/146034308.db2.gz UAHOPXGORQZKTK-CRAIPNDOSA-N 1 3 317.477 2.662 20 0 DFADHO CCN(C(=O)CC(C)(C)[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000237033685 146034791 /nfs/dbraw/zinc/03/47/91/146034791.db2.gz KNYCDUDGIJDPEU-DOTOQJQBSA-N 1 3 317.477 2.798 20 0 DFADHO CCC[C@@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245710384 146097101 /nfs/dbraw/zinc/09/71/01/146097101.db2.gz NDHVIYILBLJWHH-AKHDSKFASA-N 1 3 302.462 2.933 20 0 DFADHO CCC[C@@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245710384 146097106 /nfs/dbraw/zinc/09/71/06/146097106.db2.gz NDHVIYILBLJWHH-AKHDSKFASA-N 1 3 302.462 2.933 20 0 DFADHO CCC[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000245791981 146103135 /nfs/dbraw/zinc/10/31/35/146103135.db2.gz NZKQYCIQSSWZJA-KZNAEPCWSA-N 1 3 323.525 2.830 20 0 DFADHO CCC[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000245791981 146103137 /nfs/dbraw/zinc/10/31/37/146103137.db2.gz NZKQYCIQSSWZJA-KZNAEPCWSA-N 1 3 323.525 2.830 20 0 DFADHO CN(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000249000283 146181438 /nfs/dbraw/zinc/18/14/38/146181438.db2.gz QGKJLSOVYJDHPW-HQSKLWIPSA-N 1 3 305.441 2.643 20 0 DFADHO CN(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000249000283 146181441 /nfs/dbraw/zinc/18/14/41/146181441.db2.gz QGKJLSOVYJDHPW-HQSKLWIPSA-N 1 3 305.441 2.643 20 0 DFADHO CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(F)cc1 ZINC000249000283 146181446 /nfs/dbraw/zinc/18/14/46/146181446.db2.gz QGKJLSOVYJDHPW-HQSKLWIPSA-N 1 3 305.441 2.643 20 0 DFADHO CN(C[C@]1(C)CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000261556869 146241150 /nfs/dbraw/zinc/24/11/50/146241150.db2.gz WKTDUAYPOWOTBJ-LJQANCHMSA-N 1 3 301.478 2.582 20 0 DFADHO [NH3+][C@@H]1C[C@@H](NC2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000261613506 146247484 /nfs/dbraw/zinc/24/74/84/146247484.db2.gz BIZKJAFGXMJRRE-QZTJIDSGSA-N 1 3 308.429 2.785 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000261684011 146259354 /nfs/dbraw/zinc/25/93/54/146259354.db2.gz ANBXHWAPQAGPKM-UHFFFAOYSA-N 1 3 310.445 2.756 20 0 DFADHO NC[C@@H]1C[N@H+](Cc2cccc3c[nH]nc32)C[C@H]1c1ccccc1 ZINC000261761396 146271937 /nfs/dbraw/zinc/27/19/37/146271937.db2.gz RFOFXZLZIMOUCG-MSOLQXFVSA-N 1 3 306.413 2.737 20 0 DFADHO NC[C@@H]1C[N@@H+](Cc2cccc3c[nH]nc32)C[C@H]1c1ccccc1 ZINC000261761396 146271940 /nfs/dbraw/zinc/27/19/40/146271940.db2.gz RFOFXZLZIMOUCG-MSOLQXFVSA-N 1 3 306.413 2.737 20 0 DFADHO COc1ccc(CC2CCN(C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261776844 146274904 /nfs/dbraw/zinc/27/49/04/146274904.db2.gz NNXLJBYOTNEYDP-LJQANCHMSA-N 1 3 302.462 2.949 20 0 DFADHO [NH3+]C[C@@H]1CN(CCOc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000261773929 146274990 /nfs/dbraw/zinc/27/49/90/146274990.db2.gz PAMIDCLFHHGTIZ-APWZRJJASA-N 1 3 314.404 2.879 20 0 DFADHO CCCOc1ccc(OCCN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261816888 146281479 /nfs/dbraw/zinc/28/14/79/146281479.db2.gz GZBZZOFBMVFKEQ-ZYSHUDEJSA-N 1 3 318.461 2.913 20 0 DFADHO C[C@H]1CCC[C@](CNC(=O)c2ccc3c(c2)CNC3)([NH+](C)C)C1 ZINC000261854638 146290202 /nfs/dbraw/zinc/29/02/02/146290202.db2.gz JVMJPUKWOHRHRV-LIRRHRJNSA-N 1 3 315.461 2.530 20 0 DFADHO CC(C)Oc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261894198 146296227 /nfs/dbraw/zinc/29/62/27/146296227.db2.gz GWVSPNHJKYQCTK-KSZLIROESA-N 1 3 318.461 2.721 20 0 DFADHO CC(C)Oc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261894201 146297025 /nfs/dbraw/zinc/29/70/25/146297025.db2.gz GWVSPNHJKYQCTK-KURKYZTESA-N 1 3 318.461 2.721 20 0 DFADHO Fc1ccc(CN(C[C@H]2CCC[NH2+]C2)C2CCOCC2)cc1 ZINC000262018850 146324097 /nfs/dbraw/zinc/32/40/97/146324097.db2.gz VXBZSXHXFYUIEU-INIZCTEOSA-N 1 3 306.425 2.806 20 0 DFADHO Fc1ccc(C[N@H+](C[C@H]2CCCNC2)C2CCOCC2)cc1 ZINC000262018850 146324100 /nfs/dbraw/zinc/32/41/00/146324100.db2.gz VXBZSXHXFYUIEU-INIZCTEOSA-N 1 3 306.425 2.806 20 0 DFADHO Fc1ccc(C[N@@H+](C[C@H]2CCCNC2)C2CCOCC2)cc1 ZINC000262018850 146324103 /nfs/dbraw/zinc/32/41/03/146324103.db2.gz VXBZSXHXFYUIEU-INIZCTEOSA-N 1 3 306.425 2.806 20 0 DFADHO COc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c(OC)c1 ZINC000262033278 146325335 /nfs/dbraw/zinc/32/53/35/146325335.db2.gz ZDSDLGOSHKWIQD-QGZVFWFLSA-N 1 3 304.434 2.668 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262314883 146350005 /nfs/dbraw/zinc/35/00/05/146350005.db2.gz UAGVIAFIGMEPAQ-BHYGNILZSA-N 1 3 317.477 2.750 20 0 DFADHO CCC[C@](C)(N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000262698414 146383245 /nfs/dbraw/zinc/38/32/45/146383245.db2.gz FWHGPAMVHZLZLM-AEFFLSMTSA-N 1 3 309.498 2.619 20 0 DFADHO CCC[C@](C)(N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000262710870 146384098 /nfs/dbraw/zinc/38/40/98/146384098.db2.gz QLDJYTXYFFMQJZ-BQFCYCMXSA-N 1 3 309.498 2.617 20 0 DFADHO CCC[C@](C)(N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000262710870 146384100 /nfs/dbraw/zinc/38/41/00/146384100.db2.gz QLDJYTXYFFMQJZ-BQFCYCMXSA-N 1 3 309.498 2.617 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2scnc2C2CC2)C[C@@H](C)O1 ZINC000486940867 543400224 /nfs/dbraw/zinc/40/02/24/543400224.db2.gz PPBLCTLYMJFXBM-ZIAGYGMSSA-N 1 3 323.506 3.000 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000354806145 147157918 /nfs/dbraw/zinc/15/79/18/147157918.db2.gz ZWVIRTVKSGSGIA-QGZVFWFLSA-N 1 3 323.481 2.645 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](CCCN(CC)CC(F)(F)F)C1 ZINC000354858159 147180681 /nfs/dbraw/zinc/18/06/81/147180681.db2.gz NWQZCAAJNQFKGQ-CQSZACIVSA-N 1 3 309.420 2.534 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](CCCN(CC)CC(F)(F)F)C1 ZINC000354858159 147180677 /nfs/dbraw/zinc/18/06/77/147180677.db2.gz NWQZCAAJNQFKGQ-CQSZACIVSA-N 1 3 309.420 2.534 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+]([C@@H](C)CCc2ccccc2)CC1 ZINC000357639666 148067244 /nfs/dbraw/zinc/06/72/44/148067244.db2.gz VOEMNUUXJGHDEJ-IRXDYDNUSA-N 1 3 304.478 2.785 20 0 DFADHO C[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)N1CCCCCC1 ZINC000357720715 148095128 /nfs/dbraw/zinc/09/51/28/148095128.db2.gz HVYTYMIQOZIXFA-INIZCTEOSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCCC1 ZINC000357807249 148130709 /nfs/dbraw/zinc/13/07/09/148130709.db2.gz BVGYQPUGFDANGG-KSZLIROESA-N 1 3 323.525 2.735 20 0 DFADHO C[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCCC1 ZINC000357807249 148130712 /nfs/dbraw/zinc/13/07/12/148130712.db2.gz BVGYQPUGFDANGG-KSZLIROESA-N 1 3 323.525 2.735 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000357824783 148138990 /nfs/dbraw/zinc/13/89/90/148138990.db2.gz KJLQFBFYPDQONI-INIZCTEOSA-N 1 3 309.498 2.582 20 0 DFADHO CCC[C@H](C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C)N(C)C ZINC000357853615 148150354 /nfs/dbraw/zinc/15/03/54/148150354.db2.gz CBYABDOPSWIPTI-KBAYOESNSA-N 1 3 319.493 2.833 20 0 DFADHO CS[C@H]1CCC[C@H](NCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425901902 296603651 /nfs/dbraw/zinc/60/36/51/296603651.db2.gz REDZPMRPBQKJKU-ZFWWWQNUSA-N 1 3 309.479 2.905 20 0 DFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000358133767 148256601 /nfs/dbraw/zinc/25/66/01/148256601.db2.gz QRMRJJNTLJPRNV-HNAYVOBHSA-N 1 3 323.440 2.711 20 0 DFADHO CCN1CCN(c2ccccc2C[N@H+](CC)C[C@@H](C)OC)CC1 ZINC000361018335 149008627 /nfs/dbraw/zinc/00/86/27/149008627.db2.gz RWHUFMLOFCPWBP-QGZVFWFLSA-N 1 3 319.493 2.685 20 0 DFADHO CCN1CCN(c2ccccc2C[N@@H+](CC)C[C@@H](C)OC)CC1 ZINC000361018335 149008628 /nfs/dbraw/zinc/00/86/28/149008628.db2.gz RWHUFMLOFCPWBP-QGZVFWFLSA-N 1 3 319.493 2.685 20 0 DFADHO C[C@H]1CN(CCCc2ccsc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000361096646 149027381 /nfs/dbraw/zinc/02/73/81/149027381.db2.gz MHNKWSDSZBXPBZ-FUHWJXTLSA-N 1 3 321.534 2.639 20 0 DFADHO Cc1ccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000361345543 149092155 /nfs/dbraw/zinc/09/21/55/149092155.db2.gz JCZFOHPWOHXTEX-MRXNPFEDSA-N 1 3 317.477 2.588 20 0 DFADHO CC(C)(CNC(=O)[C@@H]1CCCN1C1CCCC1)C[NH+]1CCCC1 ZINC000361384488 149101016 /nfs/dbraw/zinc/10/10/16/149101016.db2.gz KRZZGXRIQTVBNQ-KRWDZBQOSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@]2(F)CCNC2)cc1 ZINC000361719442 149200852 /nfs/dbraw/zinc/20/08/52/149200852.db2.gz SYNLSYIDGTVYJV-KBXCAEBGSA-N 1 3 319.424 2.701 20 0 DFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@]2(F)CCNC2)cc1 ZINC000361719442 149200856 /nfs/dbraw/zinc/20/08/56/149200856.db2.gz SYNLSYIDGTVYJV-KBXCAEBGSA-N 1 3 319.424 2.701 20 0 DFADHO CCC[C@](C)([NH3+])C(=O)NC1CCN(Cc2cccc(C)c2)CC1 ZINC000361717836 149200969 /nfs/dbraw/zinc/20/09/69/149200969.db2.gz JAFPDRRYACJMOQ-IBGZPJMESA-N 1 3 317.477 2.593 20 0 DFADHO CCSc1ccccc1[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000361878076 149243832 /nfs/dbraw/zinc/24/38/32/149243832.db2.gz XHIKRQRQQFUJPA-CQSZACIVSA-N 1 3 308.491 2.906 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000361966633 149267001 /nfs/dbraw/zinc/26/70/01/149267001.db2.gz NPNMYKKNFXNQRL-PKOBYXMFSA-N 1 3 316.493 2.508 20 0 DFADHO C[C@H]([NH2+]C1CCC(CO)CC1)c1ccc(OCCN(C)C)cc1 ZINC000361980863 149270754 /nfs/dbraw/zinc/27/07/54/149270754.db2.gz MMHPGVMYPWWOBN-HJOIGYKYSA-N 1 3 320.477 2.829 20 0 DFADHO CCC(CC)(C[NH3+])C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000362592168 149318398 /nfs/dbraw/zinc/31/83/98/149318398.db2.gz SKBFOSYZHOUQBI-UHFFFAOYSA-N 1 3 317.355 2.868 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(CCOc3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000351482074 286131643 /nfs/dbraw/zinc/13/16/43/286131643.db2.gz YOLREOCMDOQHMQ-TUKIKUTGSA-N 1 3 314.351 2.753 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3cccc4ccccc43)C[C@@H]12 ZINC000351488188 286133277 /nfs/dbraw/zinc/13/32/77/286133277.db2.gz DZSMKCVXPUSOQI-CGTJXYLNSA-N 1 3 323.440 2.838 20 0 DFADHO C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000351519219 286141487 /nfs/dbraw/zinc/14/14/87/286141487.db2.gz ODMJTPWRALMFCS-LZQZEXGQSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000351519219 286141488 /nfs/dbraw/zinc/14/14/88/286141488.db2.gz ODMJTPWRALMFCS-LZQZEXGQSA-N 1 3 302.462 2.567 20 0 DFADHO CC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccs1 ZINC000370633504 149958655 /nfs/dbraw/zinc/95/86/55/149958655.db2.gz HHQRNGNBQPBDIN-ZBFHGGJFSA-N 1 3 307.507 2.957 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccccc1-c1cnn(C)c1 ZINC000371429743 150045618 /nfs/dbraw/zinc/04/56/18/150045618.db2.gz GUVMATOHMMMWRI-VCBZYWHSSA-N 1 3 312.461 2.905 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccccc1-c1cnn(C)c1 ZINC000371429743 150045621 /nfs/dbraw/zinc/04/56/21/150045621.db2.gz GUVMATOHMMMWRI-VCBZYWHSSA-N 1 3 312.461 2.905 20 0 DFADHO CC[N@@H+]1CC[C@H](NCc2ccccc2-c2cnn(C)c2)[C@H](C)C1 ZINC000371433547 150046449 /nfs/dbraw/zinc/04/64/49/150046449.db2.gz XIBVSJJPJMRHGC-BEFAXECRSA-N 1 3 312.461 2.907 20 0 DFADHO CC[N@H+]1CC[C@H](NCc2ccccc2-c2cnn(C)c2)[C@H](C)C1 ZINC000371433547 150046450 /nfs/dbraw/zinc/04/64/50/150046450.db2.gz XIBVSJJPJMRHGC-BEFAXECRSA-N 1 3 312.461 2.907 20 0 DFADHO Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000371723984 150086360 /nfs/dbraw/zinc/08/63/60/150086360.db2.gz OMNIVFAGCGRWOS-IEBWSBKVSA-N 1 3 312.461 2.820 20 0 DFADHO COC(CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)OC ZINC000372902964 150199398 /nfs/dbraw/zinc/19/93/98/150199398.db2.gz JPDOGYOXAMKDPB-UHFFFAOYSA-N 1 3 318.461 2.593 20 0 DFADHO COC(CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)OC ZINC000372902964 150199400 /nfs/dbraw/zinc/19/94/00/150199400.db2.gz JPDOGYOXAMKDPB-UHFFFAOYSA-N 1 3 318.461 2.593 20 0 DFADHO C[C@@H]1CN(C/C=C/c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000373175868 150241623 /nfs/dbraw/zinc/24/16/23/150241623.db2.gz IWMWECCTRKOCJI-AHKGRUIUSA-N 1 3 313.489 2.800 20 0 DFADHO C[NH+]1CCC2(CCCN(C[C@H](O)c3ccccc3F)C2)CC1 ZINC000374074464 150303413 /nfs/dbraw/zinc/30/34/13/150303413.db2.gz KTIJHJGNUHJCIG-KRWDZBQOSA-N 1 3 306.425 2.667 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccccc1N(C)C ZINC000093946828 286198581 /nfs/dbraw/zinc/19/85/81/286198581.db2.gz VRUMOYJUZJYGME-CVEARBPZSA-N 1 3 307.482 2.760 20 0 DFADHO Cc1sccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000351699659 286197252 /nfs/dbraw/zinc/19/72/52/286197252.db2.gz CJJARDYLIWRLMI-YOEHRIQHSA-N 1 3 307.507 2.514 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000352380638 286358684 /nfs/dbraw/zinc/35/86/84/286358684.db2.gz KHLICOXZVPUQAG-SFHVURJKSA-N 1 3 321.509 2.774 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000352380637 286358774 /nfs/dbraw/zinc/35/87/74/286358774.db2.gz KHLICOXZVPUQAG-GOSISDBHSA-N 1 3 321.509 2.774 20 0 DFADHO CCCC[N@H+](C)CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000352451932 286377741 /nfs/dbraw/zinc/37/77/41/286377741.db2.gz ZLMUFTLRIIBSDK-UHFFFAOYSA-N 1 3 306.454 2.602 20 0 DFADHO CCCC[N@@H+](C)CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000352451932 286377743 /nfs/dbraw/zinc/37/77/43/286377743.db2.gz ZLMUFTLRIIBSDK-UHFFFAOYSA-N 1 3 306.454 2.602 20 0 DFADHO CC(=O)Nc1cccc(CN(CCC[NH3+])CC2CCCC2)c1 ZINC000352495460 286388423 /nfs/dbraw/zinc/38/84/23/286388423.db2.gz LTVWAUBXXYVWPZ-UHFFFAOYSA-N 1 3 303.450 2.986 20 0 DFADHO CCc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000352756156 286458950 /nfs/dbraw/zinc/45/89/50/286458950.db2.gz OLYMGXDHVDAREU-HOTGVXAUSA-N 1 3 305.466 2.623 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2nc3c(cccc3F)n2C)[C@@H](C)C1 ZINC000246577994 158095619 /nfs/dbraw/zinc/09/56/19/158095619.db2.gz YKMWETCHGFRWJE-DZGCQCFKSA-N 1 3 318.440 2.575 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2nc3c(cccc3F)n2C)[C@@H](C)C1 ZINC000246577994 158095621 /nfs/dbraw/zinc/09/56/21/158095621.db2.gz YKMWETCHGFRWJE-DZGCQCFKSA-N 1 3 318.440 2.575 20 0 DFADHO C[C@@H]1C[C@@H](N[C@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@@H+]1C ZINC000247168626 158121251 /nfs/dbraw/zinc/12/12/51/158121251.db2.gz YHJZYVFFDZJPND-AZOIQLNYSA-N 1 3 316.445 2.981 20 0 DFADHO C[C@@H]1C[C@@H](N[C@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@H+]1C ZINC000247168626 158121254 /nfs/dbraw/zinc/12/12/54/158121254.db2.gz YHJZYVFFDZJPND-AZOIQLNYSA-N 1 3 316.445 2.981 20 0 DFADHO C[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000247427844 158135345 /nfs/dbraw/zinc/13/53/45/158135345.db2.gz LPOJTNOMVSLQFH-BRWVUGGUSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CCCC1 ZINC000248463186 158178912 /nfs/dbraw/zinc/17/89/12/158178912.db2.gz YSBSZJQPUZGYJH-HNAYVOBHSA-N 1 3 302.462 2.922 20 0 DFADHO OCCCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248751047 158200625 /nfs/dbraw/zinc/20/06/25/158200625.db2.gz OMBFXQFRLQQCBP-CEXWTWQISA-N 1 3 302.462 2.649 20 0 DFADHO CCN1CCN([C@@H](C)CNc2cc(C)[nH+]c3ccccc23)CC1 ZINC000301563928 158219978 /nfs/dbraw/zinc/21/99/78/158219978.db2.gz YPRLMOIXCJGLCC-INIZCTEOSA-N 1 3 312.461 2.981 20 0 DFADHO CCCN(CCN1CCCCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000356641584 158304824 /nfs/dbraw/zinc/30/48/24/158304824.db2.gz ITAXFRNFZWZFER-QZTJIDSGSA-N 1 3 323.525 2.831 20 0 DFADHO CCCN(CCN1CCCCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000356641584 158304826 /nfs/dbraw/zinc/30/48/26/158304826.db2.gz ITAXFRNFZWZFER-QZTJIDSGSA-N 1 3 323.525 2.831 20 0 DFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CC1(C)COC1 ZINC000357035969 158353581 /nfs/dbraw/zinc/35/35/81/158353581.db2.gz JKZGHKDJPDJGQW-UHFFFAOYSA-N 1 3 303.450 2.656 20 0 DFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CC1(C)COC1 ZINC000357035969 158353582 /nfs/dbraw/zinc/35/35/82/158353582.db2.gz JKZGHKDJPDJGQW-UHFFFAOYSA-N 1 3 303.450 2.656 20 0 DFADHO COCCOc1ccccc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357061045 158359364 /nfs/dbraw/zinc/35/93/64/158359364.db2.gz ZBKJZABAMSYIAQ-QGZVFWFLSA-N 1 3 318.461 2.533 20 0 DFADHO Cn1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c(-c2ccccc2)n1 ZINC000357061205 158359466 /nfs/dbraw/zinc/35/94/66/158359466.db2.gz ZRNVBWRKXGQFPQ-SFHVURJKSA-N 1 3 324.472 2.909 20 0 DFADHO Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358507456 158382800 /nfs/dbraw/zinc/38/28/00/158382800.db2.gz KKTIMNWMAPEXNX-INIZCTEOSA-N 1 3 315.461 2.706 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000358670744 158397792 /nfs/dbraw/zinc/39/77/92/158397792.db2.gz WVOGERNTSWJGKM-AOIWGVFYSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@@H](NC(=O)[C@H](C)N1CCC(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000430636628 296801497 /nfs/dbraw/zinc/80/14/97/296801497.db2.gz YYFXQKQXBNUGBE-OLZOCXBDSA-N 1 3 323.868 2.576 20 0 DFADHO Cc1cccc(-c2n[nH]cc2CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430920462 296812119 /nfs/dbraw/zinc/81/21/19/296812119.db2.gz OYMKCLYVCXHOTF-UHFFFAOYSA-N 1 3 310.445 2.961 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)N1CCCCCC1 ZINC000360217533 287012729 /nfs/dbraw/zinc/01/27/29/287012729.db2.gz GPVKWAYMGNHPRH-IAGOWNOFSA-N 1 3 309.498 2.632 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)N1CCCCCC1 ZINC000360217533 287012731 /nfs/dbraw/zinc/01/27/31/287012731.db2.gz GPVKWAYMGNHPRH-IAGOWNOFSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H](O)[C@@](C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000188921862 287112604 /nfs/dbraw/zinc/11/26/04/287112604.db2.gz IYRIMFFUHZMMKF-VBSBHUPXSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@@H](O)[C@@](C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000188921862 287112605 /nfs/dbraw/zinc/11/26/05/287112605.db2.gz IYRIMFFUHZMMKF-VBSBHUPXSA-N 1 3 316.489 2.833 20 0 DFADHO CN(C)Cc1cccc(NC(=O)C2C[NH+](C3CCCCC3)C2)c1 ZINC000457445958 298727451 /nfs/dbraw/zinc/72/74/51/298727451.db2.gz XIOKMJDCHSELID-UHFFFAOYSA-N 1 3 315.461 2.951 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000129583994 196059936 /nfs/dbraw/zinc/05/99/36/196059936.db2.gz FYIPUUHHMYPZEL-FPCVCCKLSA-N 1 3 306.450 2.781 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000129583994 196059939 /nfs/dbraw/zinc/05/99/39/196059939.db2.gz FYIPUUHHMYPZEL-FPCVCCKLSA-N 1 3 306.450 2.781 20 0 DFADHO COC(=O)c1cc([C@@H](C)N2CCC(C[NH+](C)C)CC2)oc1C ZINC000432927045 296891367 /nfs/dbraw/zinc/89/13/67/296891367.db2.gz JRSDPUTXKNDUOE-GFCCVEGCSA-N 1 3 308.422 2.709 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCn2ccnc2)CC1 ZINC000131735556 196195595 /nfs/dbraw/zinc/19/55/95/196195595.db2.gz HVQZDHCHKVDBNC-KRWDZBQOSA-N 1 3 304.482 2.860 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCn2ccnc2)CC1 ZINC000131735556 196195597 /nfs/dbraw/zinc/19/55/97/196195597.db2.gz HVQZDHCHKVDBNC-KRWDZBQOSA-N 1 3 304.482 2.860 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1(C)CC1 ZINC000132773942 196282195 /nfs/dbraw/zinc/28/21/95/196282195.db2.gz LKWWYAQXEYFNJO-HNNXBMFYSA-N 1 3 302.462 2.922 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CC1 ZINC000132804331 196284852 /nfs/dbraw/zinc/28/48/52/196284852.db2.gz ZVBVIPMNNMEHND-LJQANCHMSA-N 1 3 302.462 2.922 20 0 DFADHO CCCc1cc(NC[C@](C)(O)C[NH+](C)C)c2ccccc2n1 ZINC000133008725 196304810 /nfs/dbraw/zinc/30/48/10/196304810.db2.gz URGLDZFGKBABAU-SFHVURJKSA-N 1 3 301.434 2.912 20 0 DFADHO COc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000133094260 196310719 /nfs/dbraw/zinc/31/07/19/196310719.db2.gz BGNPDPZSAWFFFF-HOTGVXAUSA-N 1 3 318.461 2.847 20 0 DFADHO COCCc1ccc(OC[C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000667860207 543693738 /nfs/dbraw/zinc/69/37/38/543693738.db2.gz JETMYSCKAVGVIO-SJLPKXTDSA-N 1 3 320.477 2.574 20 0 DFADHO COCCc1ccc(OC[C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000667860207 543693740 /nfs/dbraw/zinc/69/37/40/543693740.db2.gz JETMYSCKAVGVIO-SJLPKXTDSA-N 1 3 320.477 2.574 20 0 DFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc(CN)c2)C1 ZINC000667731025 543668254 /nfs/dbraw/zinc/66/82/54/543668254.db2.gz JUHWWVWRGRKSSZ-AWEZNQCLSA-N 1 3 318.465 2.777 20 0 DFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(CN)c2)C1 ZINC000667731025 543668256 /nfs/dbraw/zinc/66/82/56/543668256.db2.gz JUHWWVWRGRKSSZ-AWEZNQCLSA-N 1 3 318.465 2.777 20 0 DFADHO CN(C)Cc1cccc(CNC(=O)Nc2cccc(C[NH3+])c2)c1 ZINC000667730972 543668607 /nfs/dbraw/zinc/66/86/07/543668607.db2.gz IEOWYTMLKSWELK-UHFFFAOYSA-N 1 3 312.417 2.529 20 0 DFADHO CN(C)[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1ccccc1 ZINC000667732301 543669398 /nfs/dbraw/zinc/66/93/98/543669398.db2.gz FSPBTXPCSVVXSB-QGZVFWFLSA-N 1 3 312.417 2.570 20 0 DFADHO CC[NH+]1CCC(N[C@@H](C)COc2ccc(CCOC)cc2)CC1 ZINC000667764024 543674882 /nfs/dbraw/zinc/67/48/82/543674882.db2.gz OUTGHGJEWUQGDZ-INIZCTEOSA-N 1 3 320.477 2.717 20 0 DFADHO c1cc(C[NH+]2CCCC2)ccc1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000667769849 543676057 /nfs/dbraw/zinc/67/60/57/543676057.db2.gz HVJUQXGWOXIKGY-OALUTQOASA-N 1 3 300.446 2.940 20 0 DFADHO COC[C@H](C)Oc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000668172107 543758373 /nfs/dbraw/zinc/75/83/73/543758373.db2.gz DNLKCTSHRZAKFI-GJYPPUQNSA-N 1 3 320.477 2.872 20 0 DFADHO COC[C@H](C)Oc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000668172107 543758376 /nfs/dbraw/zinc/75/83/76/543758376.db2.gz DNLKCTSHRZAKFI-GJYPPUQNSA-N 1 3 320.477 2.872 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)C1 ZINC000668489009 543814064 /nfs/dbraw/zinc/81/40/64/543814064.db2.gz JBPZBOJLFPTPRG-AKHDSKFASA-N 1 3 300.446 2.531 20 0 DFADHO CC(C)(C)N1CC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668432821 543805658 /nfs/dbraw/zinc/80/56/58/543805658.db2.gz YOQCMDPMMPWHIX-KRWDZBQOSA-N 1 3 302.466 2.513 20 0 DFADHO C[C@@H](CN1CCC(C)CC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668617004 543836968 /nfs/dbraw/zinc/83/69/68/543836968.db2.gz TXHIAWUQBDXETC-KRWDZBQOSA-N 1 3 316.493 2.760 20 0 DFADHO CC(C)[C@@H](CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668738466 543857324 /nfs/dbraw/zinc/85/73/24/543857324.db2.gz DHUJVBNKFCQVNE-WOJBJXKFSA-N 1 3 316.489 2.957 20 0 DFADHO CC(C)[C@@H](CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668738466 543857326 /nfs/dbraw/zinc/85/73/26/543857326.db2.gz DHUJVBNKFCQVNE-WOJBJXKFSA-N 1 3 316.489 2.957 20 0 DFADHO CC(C)c1ccc(CC[NH+]2CCC(N3CC[C@@H](O)C3)CC2)cc1 ZINC000668740878 543858894 /nfs/dbraw/zinc/85/88/94/543858894.db2.gz YAKFGEDISLIDMK-HXUWFJFHSA-N 1 3 316.489 2.884 20 0 DFADHO CO[C@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)[C@@H](C)C1 ZINC000669621117 543976824 /nfs/dbraw/zinc/97/68/24/543976824.db2.gz GYLLIHSYBHXUNH-YJBOKZPZSA-N 1 3 306.450 2.626 20 0 DFADHO CO[C@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)[C@@H](C)C1 ZINC000669621117 543976827 /nfs/dbraw/zinc/97/68/27/543976827.db2.gz GYLLIHSYBHXUNH-YJBOKZPZSA-N 1 3 306.450 2.626 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H](CO)c2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000672618910 544143783 /nfs/dbraw/zinc/14/37/83/544143783.db2.gz FLBCXEDYNNXXNV-NRSFXHEJSA-N 1 3 322.880 2.878 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H](CO)c2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000672618910 544143785 /nfs/dbraw/zinc/14/37/85/544143785.db2.gz FLBCXEDYNNXXNV-NRSFXHEJSA-N 1 3 322.880 2.878 20 0 DFADHO C[C@H]([NH2+]Cc1c[nH]c2nccnc12)[C@@H]1CCCN(C2CCC2)C1 ZINC000290971423 222038939 /nfs/dbraw/zinc/03/89/39/222038939.db2.gz XKSMJWWKMWFWAS-UONOGXRCSA-N 1 3 313.449 2.701 20 0 DFADHO C[C@H]([NH2+]Cc1c[nH]c2nccnc12)[C@H]1CCCN(C2CCC2)C1 ZINC000290971418 222039986 /nfs/dbraw/zinc/03/99/86/222039986.db2.gz XKSMJWWKMWFWAS-KBPBESRZSA-N 1 3 313.449 2.701 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCN2CCCc3ccccc32)[C@H](C)C1 ZINC000675783277 544336268 /nfs/dbraw/zinc/33/62/68/544336268.db2.gz FPQXJAIKCJIYSW-AEFFLSMTSA-N 1 3 301.478 2.759 20 0 DFADHO CC[N@H+]1CC[C@H](NCCN2CCCc3ccccc32)[C@H](C)C1 ZINC000675783277 544336269 /nfs/dbraw/zinc/33/62/69/544336269.db2.gz FPQXJAIKCJIYSW-AEFFLSMTSA-N 1 3 301.478 2.759 20 0 DFADHO C[C@@H](N[C@@H]1CCCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000675884321 544342010 /nfs/dbraw/zinc/34/20/10/544342010.db2.gz SOZYACUASWJGMN-CRAIPNDOSA-N 1 3 315.461 2.502 20 0 DFADHO Cc1cc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)n[nH]1 ZINC000675891834 544342401 /nfs/dbraw/zinc/34/24/01/544342401.db2.gz BKGDONZDHCRUMN-CQSZACIVSA-N 1 3 302.422 2.509 20 0 DFADHO COc1ccc(COCC[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000675897700 544342669 /nfs/dbraw/zinc/34/26/69/544342669.db2.gz RQJKSTXUSYOULQ-IEBWSBKVSA-N 1 3 318.461 2.628 20 0 DFADHO COc1ccc(COCC[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000675897700 544342671 /nfs/dbraw/zinc/34/26/71/544342671.db2.gz RQJKSTXUSYOULQ-IEBWSBKVSA-N 1 3 318.461 2.628 20 0 DFADHO C[C@H](CC[N@@H+]1CCCOC(C)(C)C1)N1CCCOC(C)(C)C1 ZINC000676253127 544366218 /nfs/dbraw/zinc/36/62/18/544366218.db2.gz XKVPYSMXSXEMND-MRXNPFEDSA-N 1 3 312.498 2.767 20 0 DFADHO C[C@H](CC[N@H+]1CCCOC(C)(C)C1)N1CCCOC(C)(C)C1 ZINC000676253127 544366219 /nfs/dbraw/zinc/36/62/19/544366219.db2.gz XKVPYSMXSXEMND-MRXNPFEDSA-N 1 3 312.498 2.767 20 0 DFADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1C(C)(C)C1(C)C ZINC000676560260 544385588 /nfs/dbraw/zinc/38/55/88/544385588.db2.gz KYOCIHJYJAEURP-GJZGRUSLSA-N 1 3 307.526 2.815 20 0 DFADHO COc1ccc2[nH]cc(CCN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000677240791 544457144 /nfs/dbraw/zinc/45/71/44/544457144.db2.gz KXWINPCEGKKETG-CVEARBPZSA-N 1 3 313.445 2.935 20 0 DFADHO COc1ccc2[nH]cc(CCN[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000677240791 544457149 /nfs/dbraw/zinc/45/71/49/544457149.db2.gz KXWINPCEGKKETG-CVEARBPZSA-N 1 3 313.445 2.935 20 0 DFADHO C[C@H](CO)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000678044266 544586821 /nfs/dbraw/zinc/58/68/21/544586821.db2.gz NVABFELHZMEBIU-UHOSZYNNSA-N 1 3 302.462 2.601 20 0 DFADHO C[C@H](CO)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000678044266 544586825 /nfs/dbraw/zinc/58/68/25/544586825.db2.gz NVABFELHZMEBIU-UHOSZYNNSA-N 1 3 302.462 2.601 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000678074870 544594594 /nfs/dbraw/zinc/59/45/94/544594594.db2.gz UAJVCSAMOWHPOQ-CMKODMSKSA-N 1 3 313.489 2.548 20 0 DFADHO Cc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c(C)n1 ZINC000678426804 544672090 /nfs/dbraw/zinc/67/20/90/544672090.db2.gz IUHMHVQFAHEBEO-SJORKVTESA-N 1 3 317.477 2.850 20 0 DFADHO C[C@H](CC1CCC1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000678591113 544698667 /nfs/dbraw/zinc/69/86/67/544698667.db2.gz GAMZDHXEXMZHCM-OAHLLOKOSA-N 1 3 317.477 2.646 20 0 DFADHO CC(C)[C@@H](O)C1(C[NH2+]Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000678969006 544758772 /nfs/dbraw/zinc/75/87/72/544758772.db2.gz XKMKANMNSMCGAQ-GOSISDBHSA-N 1 3 320.477 2.514 20 0 DFADHO OCC1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000679395443 544848824 /nfs/dbraw/zinc/84/88/24/544848824.db2.gz XGCPXLCSUVLNIE-BCDXTJNWSA-N 1 3 300.446 2.544 20 0 DFADHO OCC1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000679395443 544848827 /nfs/dbraw/zinc/84/88/27/544848827.db2.gz XGCPXLCSUVLNIE-BCDXTJNWSA-N 1 3 300.446 2.544 20 0 DFADHO CO[C@@H]1CCCN(CC(C)C[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679953867 544933579 /nfs/dbraw/zinc/93/35/79/544933579.db2.gz XOIAXMAUOABMJR-QZTJIDSGSA-N 1 3 312.498 2.624 20 0 DFADHO CO[C@@H]1CCCN(CC(C)C[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679953867 544933580 /nfs/dbraw/zinc/93/35/80/544933580.db2.gz XOIAXMAUOABMJR-QZTJIDSGSA-N 1 3 312.498 2.624 20 0 DFADHO COc1ccccc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000062253084 425900053 /nfs/dbraw/zinc/90/00/53/425900053.db2.gz ZLPZGIVXRLCDLN-HOTGVXAUSA-N 1 3 306.450 2.674 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000155612743 425922687 /nfs/dbraw/zinc/92/26/87/425922687.db2.gz NHJOKAKHKZDMOP-HUUCEWRRSA-N 1 3 323.456 2.511 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000155667091 425923614 /nfs/dbraw/zinc/92/36/14/425923614.db2.gz XTYVPEIAWKBUQU-KBPBESRZSA-N 1 3 311.420 2.641 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000155676931 425924256 /nfs/dbraw/zinc/92/42/56/425924256.db2.gz YUSVJDCWICSSHU-LSCKAKRGSA-N 1 3 323.525 2.861 20 0 DFADHO CC(C)[C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N1CCCCC1 ZINC000085290344 267447591 /nfs/dbraw/zinc/44/75/91/267447591.db2.gz WNOIJCZERORYKP-JKSUJKDBSA-N 1 3 311.514 2.589 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1cccc(OCCN(C)C)c1 ZINC000183350118 267752669 /nfs/dbraw/zinc/75/26/69/267752669.db2.gz NHPXMXANJKGGDH-NVXWUHKLSA-N 1 3 306.450 2.847 20 0 DFADHO COc1cccc2c1CC[C@@H]([NH2+]C[C@H](C)CN1CCCC1)C2 ZINC000192439643 268037063 /nfs/dbraw/zinc/03/70/63/268037063.db2.gz FOHGIORUVSSXPL-DOTOQJQBSA-N 1 3 302.462 2.874 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](CN)c1ccccc1)CC(C)C ZINC000236826389 268152119 /nfs/dbraw/zinc/15/21/19/268152119.db2.gz WAXLIQDENLVJOH-MSOLQXFVSA-N 1 3 319.493 2.602 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000268823653 268186200 /nfs/dbraw/zinc/18/62/00/268186200.db2.gz OSEJWTZHFRQRMO-HZPDHXFCSA-N 1 3 317.477 2.533 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000268823653 268186203 /nfs/dbraw/zinc/18/62/03/268186203.db2.gz OSEJWTZHFRQRMO-HZPDHXFCSA-N 1 3 317.477 2.533 20 0 DFADHO C[C@H]([NH2+]CCc1ccncc1)c1ccc(OCCN(C)C)cc1 ZINC000269030932 268188274 /nfs/dbraw/zinc/18/82/74/268188274.db2.gz UKYJINBSPLNBKD-INIZCTEOSA-N 1 3 313.445 2.915 20 0 DFADHO Cc1nccn1CCC[NH+]1CCN(CCc2cccs2)CC1 ZINC000270706019 268203498 /nfs/dbraw/zinc/20/34/98/268203498.db2.gz YSSWORQTDGZBHY-UHFFFAOYSA-N 1 3 318.490 2.503 20 0 DFADHO Cc1cccc(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c1 ZINC000270822947 268222450 /nfs/dbraw/zinc/22/24/50/268222450.db2.gz BNLKZALCMDUXGD-UHFFFAOYSA-N 1 3 315.505 2.985 20 0 DFADHO Fc1ccc(N2CCN(CC3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000297134831 268310712 /nfs/dbraw/zinc/31/07/12/268310712.db2.gz YVDPHPAAPWLFHV-UHFFFAOYSA-N 1 3 311.832 2.601 20 0 DFADHO CCC[NH+]1CCC(N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000309834467 268335953 /nfs/dbraw/zinc/33/59/53/268335953.db2.gz UDHWQCYTFAPAMZ-KBPBESRZSA-N 1 3 313.486 2.752 20 0 DFADHO C[C@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)CN(C)C ZINC000309748022 268336160 /nfs/dbraw/zinc/33/61/60/268336160.db2.gz YJJVCYIFWOIBDP-WLYUNCDWSA-N 1 3 313.486 2.610 20 0 DFADHO CCc1noc(C2CCC([NH2+][C@@H](C)[C@@H]3CCCNC3)CC2)n1 ZINC000333182777 268380092 /nfs/dbraw/zinc/38/00/92/268380092.db2.gz QCJFHAIDAWXEPO-FGZQJIAISA-N 1 3 306.454 2.636 20 0 DFADHO C[C@@H](CCn1cccn1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000158772641 425947375 /nfs/dbraw/zinc/94/73/75/425947375.db2.gz AKZBMCARSUSTHQ-INIZCTEOSA-N 1 3 304.482 2.906 20 0 DFADHO c1cc(C[NH+]2CCSCC2)ccc1CN1CCSCC1 ZINC000103468125 425948970 /nfs/dbraw/zinc/94/89/70/425948970.db2.gz LMWIZFFKOAASJE-UHFFFAOYSA-N 1 3 308.516 2.784 20 0 DFADHO CC(C)[C@@H](CO)N(CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000125034088 425950787 /nfs/dbraw/zinc/95/07/87/425950787.db2.gz RVHFJGRQJGGJHM-RBUKOAKNSA-N 1 3 304.478 2.990 20 0 DFADHO CC(C)[C@@H](CO)N(CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000125034088 425950789 /nfs/dbraw/zinc/95/07/89/425950789.db2.gz RVHFJGRQJGGJHM-RBUKOAKNSA-N 1 3 304.478 2.990 20 0 DFADHO CCOC(=O)CCN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158969431 425951373 /nfs/dbraw/zinc/95/13/73/425951373.db2.gz FDHAUIRAVNVYIB-MRXNPFEDSA-N 1 3 310.482 2.916 20 0 DFADHO CCOC(=O)CCN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158969431 425951375 /nfs/dbraw/zinc/95/13/75/425951375.db2.gz FDHAUIRAVNVYIB-MRXNPFEDSA-N 1 3 310.482 2.916 20 0 DFADHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000108790970 426022411 /nfs/dbraw/zinc/02/24/11/426022411.db2.gz HEKOVELLVTXQJN-OAHLLOKOSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1(C)CC1 ZINC000126729717 426034580 /nfs/dbraw/zinc/03/45/80/426034580.db2.gz KRNPERXWSZYXSM-MRXNPFEDSA-N 1 3 301.478 2.712 20 0 DFADHO Cc1nccn1CCCC[N@@H+]1CCC[C@@H](N2CCCCC2)C1 ZINC000161733864 426037036 /nfs/dbraw/zinc/03/70/36/426037036.db2.gz XPNCWOIHRPZEIN-GOSISDBHSA-N 1 3 304.482 2.922 20 0 DFADHO Cc1nccn1CCCC[N@H+]1CCC[C@@H](N2CCCCC2)C1 ZINC000161733864 426037038 /nfs/dbraw/zinc/03/70/38/426037038.db2.gz XPNCWOIHRPZEIN-GOSISDBHSA-N 1 3 304.482 2.922 20 0 DFADHO CC[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000162491717 426066464 /nfs/dbraw/zinc/06/64/64/426066464.db2.gz XUYORCHIJHKRCL-GOSISDBHSA-N 1 3 316.449 2.601 20 0 DFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000075216527 426068340 /nfs/dbraw/zinc/06/83/40/426068340.db2.gz ZNJLBHPJLMIMAB-QGZVFWFLSA-N 1 3 317.477 2.552 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1cc2c(s1)CCC2 ZINC000128420772 426116653 /nfs/dbraw/zinc/11/66/53/426116653.db2.gz BHBCVXKYHWDMSP-HNNXBMFYSA-N 1 3 321.534 2.915 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCCc2nc(C)sc21 ZINC000166026950 426125584 /nfs/dbraw/zinc/12/55/84/426125584.db2.gz KIAACUJKLOEDPT-ZIAGYGMSSA-N 1 3 311.495 2.775 20 0 DFADHO CCN1CCN(CCC[NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000127589279 426075396 /nfs/dbraw/zinc/07/53/96/426075396.db2.gz DNLQQMOECBIENY-INIZCTEOSA-N 1 3 307.457 2.546 20 0 DFADHO CN(C(=O)CC[N@H+](C)CC[C@H]1CCCCN1C)c1ccccc1 ZINC000135103028 426205158 /nfs/dbraw/zinc/20/51/58/426205158.db2.gz FDDHTZIIZWLHMU-QGZVFWFLSA-N 1 3 317.477 2.846 20 0 DFADHO CN(C(=O)CC[N@@H+](C)CC[C@H]1CCCCN1C)c1ccccc1 ZINC000135103028 426205162 /nfs/dbraw/zinc/20/51/62/426205162.db2.gz FDDHTZIIZWLHMU-QGZVFWFLSA-N 1 3 317.477 2.846 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1)C(C)C ZINC000170868179 426157194 /nfs/dbraw/zinc/15/71/94/426157194.db2.gz FFUIWSQQDRKFAL-SFHVURJKSA-N 1 3 317.477 2.693 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1)C(C)C ZINC000170868179 426157196 /nfs/dbraw/zinc/15/71/96/426157196.db2.gz FFUIWSQQDRKFAL-SFHVURJKSA-N 1 3 317.477 2.693 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130482233 426159839 /nfs/dbraw/zinc/15/98/39/426159839.db2.gz YAROHGIQCMSESF-WOJBJXKFSA-N 1 3 315.505 2.940 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000133302105 426172760 /nfs/dbraw/zinc/17/27/60/426172760.db2.gz AMYDXYHIALEMNV-BMFZPTHFSA-N 1 3 304.434 2.981 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000133302105 426172762 /nfs/dbraw/zinc/17/27/62/426172762.db2.gz AMYDXYHIALEMNV-BMFZPTHFSA-N 1 3 304.434 2.981 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000134084205 426185365 /nfs/dbraw/zinc/18/53/65/426185365.db2.gz UFDKIWBOUAEGSM-NEWSRXKRSA-N 1 3 301.478 2.753 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000134084205 426185367 /nfs/dbraw/zinc/18/53/67/426185367.db2.gz UFDKIWBOUAEGSM-NEWSRXKRSA-N 1 3 301.478 2.753 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000134084205 426185369 /nfs/dbraw/zinc/18/53/69/426185369.db2.gz UFDKIWBOUAEGSM-NEWSRXKRSA-N 1 3 301.478 2.753 20 0 DFADHO CC[C@]1(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CCC[NH2+]1 ZINC000134595352 426189585 /nfs/dbraw/zinc/18/95/85/426189585.db2.gz FLWXGMCIKIHNQI-DNVCBOLYSA-N 1 3 317.477 2.764 20 0 DFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000079498039 426195299 /nfs/dbraw/zinc/19/52/99/426195299.db2.gz PTLVAUBVQFEDTJ-KRWDZBQOSA-N 1 3 320.481 2.846 20 0 DFADHO C[C@H]([NH2+]CCc1cscn1)c1ccc(OCCN(C)C)cc1 ZINC000134851469 426197200 /nfs/dbraw/zinc/19/72/00/426197200.db2.gz ANQVOUBOAIIBJY-AWEZNQCLSA-N 1 3 319.474 2.977 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173321987 426238354 /nfs/dbraw/zinc/23/83/54/426238354.db2.gz GODFXYNQFSDGLY-ZIAGYGMSSA-N 1 3 311.420 2.641 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173321974 426238620 /nfs/dbraw/zinc/23/86/20/426238620.db2.gz GODFXYNQFSDGLY-UONOGXRCSA-N 1 3 311.420 2.641 20 0 DFADHO CN(CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841350 426248864 /nfs/dbraw/zinc/24/88/64/426248864.db2.gz KPFVIUMEGXENNZ-CQSZACIVSA-N 1 3 323.868 2.942 20 0 DFADHO CN(CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841350 426248867 /nfs/dbraw/zinc/24/88/67/426248867.db2.gz KPFVIUMEGXENNZ-CQSZACIVSA-N 1 3 323.868 2.942 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000118962515 426252599 /nfs/dbraw/zinc/25/25/99/426252599.db2.gz PQIPJPJESQSSIA-NEWSRXKRSA-N 1 3 303.494 2.918 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000118962515 426252601 /nfs/dbraw/zinc/25/26/01/426252601.db2.gz PQIPJPJESQSSIA-NEWSRXKRSA-N 1 3 303.494 2.918 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000118962515 426252603 /nfs/dbraw/zinc/25/26/03/426252603.db2.gz PQIPJPJESQSSIA-NEWSRXKRSA-N 1 3 303.494 2.918 20 0 DFADHO COCc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000174315754 426253777 /nfs/dbraw/zinc/25/37/77/426253777.db2.gz AXJOONMCWKPEKM-IAGOWNOFSA-N 1 3 320.477 2.812 20 0 DFADHO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000339175334 268774692 /nfs/dbraw/zinc/77/46/92/268774692.db2.gz XCPVFNWSSBZAEV-IAGOWNOFSA-N 1 3 310.482 2.964 20 0 DFADHO CCOc1ccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000150998788 426272208 /nfs/dbraw/zinc/27/22/08/426272208.db2.gz PHRKGLCETUVBCI-MRXNPFEDSA-N 1 3 319.493 2.762 20 0 DFADHO CC(C)CC[C@@H]1CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135318044 426212787 /nfs/dbraw/zinc/21/27/87/426212787.db2.gz RCFWOVIGJOJHOU-SFHVURJKSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)N1CCCCCC1 ZINC000175216434 426289424 /nfs/dbraw/zinc/28/94/24/426289424.db2.gz VTUCUGLRRKEDIT-INIZCTEOSA-N 1 3 317.477 2.629 20 0 DFADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc2c(c1)CCC2 ZINC000151360990 426291738 /nfs/dbraw/zinc/29/17/38/426291738.db2.gz LTXCDZBLZURWDM-HNNXBMFYSA-N 1 3 302.462 2.673 20 0 DFADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(OCCN(C)C)cc1 ZINC000119578757 426298582 /nfs/dbraw/zinc/29/85/82/426298582.db2.gz CMWQUOCAYWLOHO-YQQAZPJKSA-N 1 3 306.450 2.703 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000089667047 426301523 /nfs/dbraw/zinc/30/15/23/426301523.db2.gz QBCKWRQHVAFOMT-KGLIPLIRSA-N 1 3 307.507 2.884 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000089667047 426301526 /nfs/dbraw/zinc/30/15/26/426301526.db2.gz QBCKWRQHVAFOMT-KGLIPLIRSA-N 1 3 307.507 2.884 20 0 DFADHO C[C@H]([NH2+]CCCN(C)C)c1ccc(OCc2nccn2C)cc1 ZINC000151923061 426318918 /nfs/dbraw/zinc/31/89/18/426318918.db2.gz VJZLMMTUBJMSJB-HNNXBMFYSA-N 1 3 316.449 2.601 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1ccco1)N1CCCC1 ZINC000121236834 426327122 /nfs/dbraw/zinc/32/71/22/426327122.db2.gz FSBUCLVCWARCHR-NCOADZHNSA-N 1 3 305.466 2.735 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1ccco1)N1CCCC1 ZINC000121236834 426327125 /nfs/dbraw/zinc/32/71/25/426327125.db2.gz FSBUCLVCWARCHR-NCOADZHNSA-N 1 3 305.466 2.735 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000121236834 426327128 /nfs/dbraw/zinc/32/71/28/426327128.db2.gz FSBUCLVCWARCHR-NCOADZHNSA-N 1 3 305.466 2.735 20 0 DFADHO C[N@@H+]1CCC[C@H]2CN(CCN3CCCc4ccccc43)CC[C@@H]21 ZINC000090552607 426327552 /nfs/dbraw/zinc/32/75/52/426327552.db2.gz RTFPNCSXUYPFJV-OALUTQOASA-N 1 3 313.489 2.855 20 0 DFADHO C[N@H+]1CCC[C@H]2CN(CCN3CCCc4ccccc43)CC[C@@H]21 ZINC000090552607 426327555 /nfs/dbraw/zinc/32/75/55/426327555.db2.gz RTFPNCSXUYPFJV-OALUTQOASA-N 1 3 313.489 2.855 20 0 DFADHO CN1CCC[C@H]2C[N@H+](CCN3CCCc4ccccc43)CC[C@@H]21 ZINC000090552607 426327559 /nfs/dbraw/zinc/32/75/59/426327559.db2.gz RTFPNCSXUYPFJV-OALUTQOASA-N 1 3 313.489 2.855 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](CCN3CCCc4ccccc43)CC[C@@H]21 ZINC000090552607 426327562 /nfs/dbraw/zinc/32/75/62/426327562.db2.gz RTFPNCSXUYPFJV-OALUTQOASA-N 1 3 313.489 2.855 20 0 DFADHO COC[C@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C1CC1 ZINC000090717276 426330606 /nfs/dbraw/zinc/33/06/06/426330606.db2.gz ZEUUZGUDRXWHHJ-KSSFIOAISA-N 1 3 306.450 2.703 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(C)cn2)CC1 ZINC000122132082 426360017 /nfs/dbraw/zinc/36/00/17/426360017.db2.gz QXOKLZKESWLKFY-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(C)cn2)CC1 ZINC000122132082 426360020 /nfs/dbraw/zinc/36/00/20/426360020.db2.gz QXOKLZKESWLKFY-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCc3ccccc3C2)CCN1C ZINC000122759240 426392665 /nfs/dbraw/zinc/39/26/65/426392665.db2.gz GGOASSOBZMNHJR-LPHOPBHVSA-N 1 3 301.478 2.507 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000154018413 426420034 /nfs/dbraw/zinc/42/00/34/426420034.db2.gz VZIVIHLKNRMCBJ-IKGGRYGDSA-N 1 3 305.466 2.736 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000154018413 426420037 /nfs/dbraw/zinc/42/00/37/426420037.db2.gz VZIVIHLKNRMCBJ-IKGGRYGDSA-N 1 3 305.466 2.736 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000154018413 426420039 /nfs/dbraw/zinc/42/00/39/426420039.db2.gz VZIVIHLKNRMCBJ-IKGGRYGDSA-N 1 3 305.466 2.736 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000154018523 426420106 /nfs/dbraw/zinc/42/01/06/426420106.db2.gz VZIVIHLKNRMCBJ-ULQDDVLXSA-N 1 3 305.466 2.736 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000154018523 426420109 /nfs/dbraw/zinc/42/01/09/426420109.db2.gz VZIVIHLKNRMCBJ-ULQDDVLXSA-N 1 3 305.466 2.736 20 0 DFADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000154018523 426420112 /nfs/dbraw/zinc/42/01/12/426420112.db2.gz VZIVIHLKNRMCBJ-ULQDDVLXSA-N 1 3 305.466 2.736 20 0 DFADHO CCc1nc(C)c([C@H](C)[NH2+]CCCN2CCN(CC)CC2)s1 ZINC000154223186 426430778 /nfs/dbraw/zinc/43/07/78/426430778.db2.gz DCKBDCINOXJIAH-AWEZNQCLSA-N 1 3 324.538 2.692 20 0 DFADHO C[C@H]1C[C@H]1c1ccc(CNCCN2CCC([NH+](C)C)CC2)o1 ZINC000176990085 426432616 /nfs/dbraw/zinc/43/26/16/426432616.db2.gz DHHAFMKHJYSXIM-WMLDXEAASA-N 1 3 305.466 2.519 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000154248848 426432865 /nfs/dbraw/zinc/43/28/65/426432865.db2.gz RSOPCZSJQILQME-QGZVFWFLSA-N 1 3 319.518 2.841 20 0 DFADHO CCC(C)(C)NC(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123478609 426435696 /nfs/dbraw/zinc/43/56/96/426435696.db2.gz GADVIPKRWWPECU-OAHLLOKOSA-N 1 3 311.514 2.734 20 0 DFADHO Cc1cc(C)n(-c2ccccc2CN[C@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000123533774 426439493 /nfs/dbraw/zinc/43/94/93/426439493.db2.gz YJAGOPNRRAPJHQ-KSSFIOAISA-N 1 3 312.461 2.919 20 0 DFADHO Cc1cc(C)n(-c2ccccc2CN[C@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000123533774 426439497 /nfs/dbraw/zinc/43/94/97/426439497.db2.gz YJAGOPNRRAPJHQ-KSSFIOAISA-N 1 3 312.461 2.919 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3ccc(C)cc32)CC1 ZINC000154518715 426444367 /nfs/dbraw/zinc/44/43/67/426444367.db2.gz GHJPUMSQLXZPGR-FQEVSTJZSA-N 1 3 315.505 2.990 20 0 DFADHO C[C@@]1(CN(CCCO)[C@@H]2CCCc3ccccc32)CC[NH2+]C1 ZINC000340700972 269001417 /nfs/dbraw/zinc/00/14/17/269001417.db2.gz KDRYUINXRNNZPK-RTBURBONSA-N 1 3 302.462 2.748 20 0 DFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)C2CC2)CC1 ZINC000177223771 426456960 /nfs/dbraw/zinc/45/69/60/426456960.db2.gz WKHDZJYSDKLPIU-MRXNPFEDSA-N 1 3 301.478 2.712 20 0 DFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(CN(C)C)c2)[C@@H]1C ZINC000280161690 426509343 /nfs/dbraw/zinc/50/93/43/426509343.db2.gz FQRBARLHPNCABI-FHLIZLRMSA-N 1 3 318.461 2.816 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000177721766 426510639 /nfs/dbraw/zinc/51/06/39/426510639.db2.gz ORZSMPVHWMJXRV-SFHVURJKSA-N 1 3 323.525 2.830 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000177721766 426510643 /nfs/dbraw/zinc/51/06/43/426510643.db2.gz ORZSMPVHWMJXRV-SFHVURJKSA-N 1 3 323.525 2.830 20 0 DFADHO C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000186491750 426538214 /nfs/dbraw/zinc/53/82/14/426538214.db2.gz WGVLVCPONYWKJS-KAWBWNIXSA-N 1 3 306.450 2.605 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@@H+]1C ZINC000177936931 426542863 /nfs/dbraw/zinc/54/28/63/426542863.db2.gz YHJZYVFFDZJPND-ACWOFJMJSA-N 1 3 316.445 2.981 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@H+]1C ZINC000177936931 426542868 /nfs/dbraw/zinc/54/28/68/426542868.db2.gz YHJZYVFFDZJPND-ACWOFJMJSA-N 1 3 316.445 2.981 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195137433 426501910 /nfs/dbraw/zinc/50/19/10/426501910.db2.gz CZNOMDNXQHVUSZ-JYBIWHBTSA-N 1 3 315.505 2.827 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CCN1C ZINC000195135943 426501958 /nfs/dbraw/zinc/50/19/58/426501958.db2.gz XQICSZKVXIJUAK-NEWSRXKRSA-N 1 3 301.478 2.581 20 0 DFADHO Cc1cccc(C[NH+]2CCC(CN3CCN(C)CC3)CC2)c1C ZINC000289189752 426600321 /nfs/dbraw/zinc/60/03/21/426600321.db2.gz BGVPBAXTVWNTDU-UHFFFAOYSA-N 1 3 315.505 2.763 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1 ZINC000272560676 426559070 /nfs/dbraw/zinc/55/90/70/426559070.db2.gz NRAGFUQEPSASNH-CVEARBPZSA-N 1 3 317.477 2.741 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1 ZINC000272560676 426559072 /nfs/dbraw/zinc/55/90/72/426559072.db2.gz NRAGFUQEPSASNH-CVEARBPZSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C[C@@H](C)O1 ZINC000178040159 426561410 /nfs/dbraw/zinc/56/14/10/426561410.db2.gz JIIXRNJXOTYWIX-BZUAXINKSA-N 1 3 312.498 2.812 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)Cn1ccnc1 ZINC000178049988 426562137 /nfs/dbraw/zinc/56/21/37/426562137.db2.gz QYDFTWFEXWKRJD-INIZCTEOSA-N 1 3 304.482 2.906 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000178442001 426631822 /nfs/dbraw/zinc/63/18/22/426631822.db2.gz PHTZFGQOZCURLR-SFHVURJKSA-N 1 3 315.461 2.821 20 0 DFADHO CC[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)N(CC)CC ZINC000265432820 426635774 /nfs/dbraw/zinc/63/57/74/426635774.db2.gz CPSWTOIYKXDAOC-KRWDZBQOSA-N 1 3 305.466 2.850 20 0 DFADHO Cc1ccc([C@@H]2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)C2)c(C)c1 ZINC000289482426 426667173 /nfs/dbraw/zinc/66/71/73/426667173.db2.gz YDPLYVPJYRGLON-AEFFLSMTSA-N 1 3 302.462 2.548 20 0 DFADHO Cc1ccc([C@@H]2CCN(C[C@@H](O)C[N@H+](C)C3CC3)C2)c(C)c1 ZINC000289482426 426667176 /nfs/dbraw/zinc/66/71/76/426667176.db2.gz YDPLYVPJYRGLON-AEFFLSMTSA-N 1 3 302.462 2.548 20 0 DFADHO CC(C)C[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000236677932 426675618 /nfs/dbraw/zinc/67/56/18/426675618.db2.gz JEWATVPWAORYEB-INIZCTEOSA-N 1 3 309.498 2.665 20 0 DFADHO CC(C)C[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236707716 426678898 /nfs/dbraw/zinc/67/88/98/426678898.db2.gz WSXFYXVPQRJTQT-SFHVURJKSA-N 1 3 317.477 2.662 20 0 DFADHO CCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236790698 426685155 /nfs/dbraw/zinc/68/51/55/426685155.db2.gz YLYLABWWYKGKJT-SZMVWBNQSA-N 1 3 317.477 2.625 20 0 DFADHO CCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236790698 426685160 /nfs/dbraw/zinc/68/51/60/426685160.db2.gz YLYLABWWYKGKJT-SZMVWBNQSA-N 1 3 317.477 2.625 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000178440956 426629444 /nfs/dbraw/zinc/62/94/44/426629444.db2.gz WOOJYUUHDRWBRY-FUHWJXTLSA-N 1 3 315.461 2.821 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000178440956 426629448 /nfs/dbraw/zinc/62/94/48/426629448.db2.gz WOOJYUUHDRWBRY-FUHWJXTLSA-N 1 3 315.461 2.821 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000178440956 426629451 /nfs/dbraw/zinc/62/94/51/426629451.db2.gz WOOJYUUHDRWBRY-FUHWJXTLSA-N 1 3 315.461 2.821 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000178440956 426629456 /nfs/dbraw/zinc/62/94/56/426629456.db2.gz WOOJYUUHDRWBRY-FUHWJXTLSA-N 1 3 315.461 2.821 20 0 DFADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000178752138 426689025 /nfs/dbraw/zinc/68/90/25/426689025.db2.gz JQTCGJKSPRDWKG-MSOLQXFVSA-N 1 3 321.509 2.761 20 0 DFADHO C[C@H](CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000237424952 426692098 /nfs/dbraw/zinc/69/20/98/426692098.db2.gz ZYYWFMIONKMLDV-SOLBZPMBSA-N 1 3 317.477 2.561 20 0 DFADHO C[C@H]([NH2+]CCN1CC=CCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000280950695 426692872 /nfs/dbraw/zinc/69/28/72/426692872.db2.gz JRKXKTANFHKBBB-AZUAARDMSA-N 1 3 313.489 2.749 20 0 DFADHO C[C@H](NCCN1CC=CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280950695 426692873 /nfs/dbraw/zinc/69/28/73/426692873.db2.gz JRKXKTANFHKBBB-AZUAARDMSA-N 1 3 313.489 2.749 20 0 DFADHO C[C@H](NCCN1CC=CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280950695 426692877 /nfs/dbraw/zinc/69/28/77/426692877.db2.gz JRKXKTANFHKBBB-AZUAARDMSA-N 1 3 313.489 2.749 20 0 DFADHO Cc1cccc([C@H]2CCCN2C[C@H](O)C[N@@H+](C)C2CC2)c1C ZINC000290100444 426693957 /nfs/dbraw/zinc/69/39/57/426693957.db2.gz WSAGPXRPVUOPJH-IEBWSBKVSA-N 1 3 302.462 2.895 20 0 DFADHO Cc1cccc([C@H]2CCCN2C[C@H](O)C[N@H+](C)C2CC2)c1C ZINC000290100444 426693961 /nfs/dbraw/zinc/69/39/61/426693961.db2.gz WSAGPXRPVUOPJH-IEBWSBKVSA-N 1 3 302.462 2.895 20 0 DFADHO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000290112130 426696100 /nfs/dbraw/zinc/69/61/00/426696100.db2.gz ITNOWVALWQYDJI-BEFAXECRSA-N 1 3 320.477 2.829 20 0 DFADHO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000290145216 426702037 /nfs/dbraw/zinc/70/20/37/426702037.db2.gz KYBJVUJHGOXVDX-VKSUQKOCSA-N 1 3 302.462 2.910 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)CN(Cc2ccccc2)C1 ZINC000274346141 426749394 /nfs/dbraw/zinc/74/93/94/426749394.db2.gz JNHPZIRRQZSGQC-FXAWDEMLSA-N 1 3 313.489 2.749 20 0 DFADHO Cc1ccncc1CCC[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000290363449 426749622 /nfs/dbraw/zinc/74/96/22/426749622.db2.gz GYQPBJLKAFRLQI-LJQANCHMSA-N 1 3 301.478 2.986 20 0 DFADHO Cc1ccncc1CCC[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000290363449 426749629 /nfs/dbraw/zinc/74/96/29/426749629.db2.gz GYQPBJLKAFRLQI-LJQANCHMSA-N 1 3 301.478 2.986 20 0 DFADHO COc1ccc(C[C@@H](C)C[NH2+]CC2=CCN(C)CC2)cc1F ZINC000274411391 426763726 /nfs/dbraw/zinc/76/37/26/426763726.db2.gz JBJLBHDJXOMWRH-CQSZACIVSA-N 1 3 306.425 2.864 20 0 DFADHO Cc1ncsc1CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179183039 426764390 /nfs/dbraw/zinc/76/43/90/426764390.db2.gz OMENHNSESDFHCT-GDBMZVCRSA-N 1 3 305.491 2.943 20 0 DFADHO Cc1ncsc1CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179183039 426764394 /nfs/dbraw/zinc/76/43/94/426764394.db2.gz OMENHNSESDFHCT-GDBMZVCRSA-N 1 3 305.491 2.943 20 0 DFADHO CCn1nc(CNCCC2CC[NH+](C)CC2)c2ccccc21 ZINC000274424838 426765356 /nfs/dbraw/zinc/76/53/56/426765356.db2.gz LCBADWRSTGGEEY-UHFFFAOYSA-N 1 3 300.450 2.878 20 0 DFADHO COC(=O)c1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)oc1C ZINC000290590751 426799376 /nfs/dbraw/zinc/79/93/76/426799376.db2.gz VFDJXVKTRNWOFM-HNNXBMFYSA-N 1 3 320.433 2.538 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000246222232 426810151 /nfs/dbraw/zinc/81/01/51/426810151.db2.gz BMLSHGRBQOFJJN-SOLBZPMBSA-N 1 3 317.477 2.561 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000246222232 426810157 /nfs/dbraw/zinc/81/01/57/426810157.db2.gz BMLSHGRBQOFJJN-SOLBZPMBSA-N 1 3 317.477 2.561 20 0 DFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000246240496 426813158 /nfs/dbraw/zinc/81/31/58/426813158.db2.gz IUHAUMOJDMYVJW-YYIAUSFCSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282046551 426819443 /nfs/dbraw/zinc/81/94/43/426819443.db2.gz AWCAJFJHUJGHCP-OAHLLOKOSA-N 1 3 323.912 2.887 20 0 DFADHO C[NH+]1CCC(CNCc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189150711 426824683 /nfs/dbraw/zinc/82/46/83/426824683.db2.gz PVBYWJHUFBMXHX-UHFFFAOYSA-N 1 3 316.424 2.502 20 0 DFADHO c1cc(N2CCN(CCC[NH2+][C@H]3CCC34CCC4)CC2)ccn1 ZINC000282086966 426826846 /nfs/dbraw/zinc/82/68/46/426826846.db2.gz HYPXQPPETFWTTL-SFHVURJKSA-N 1 3 314.477 2.516 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cc(F)cc(Cl)c1 ZINC000274945857 426857748 /nfs/dbraw/zinc/85/77/48/426857748.db2.gz CLLGBGFBTQBBIW-HNNXBMFYSA-N 1 3 302.821 2.926 20 0 DFADHO CN1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000180115211 426835796 /nfs/dbraw/zinc/83/57/96/426835796.db2.gz QGKRXWPERKMZBT-NXEWRWPSSA-N 1 3 313.489 2.866 20 0 DFADHO CCC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccnc1 ZINC000282156112 426841864 /nfs/dbraw/zinc/84/18/64/426841864.db2.gz DBHUOQZIDWVGHJ-KRWDZBQOSA-N 1 3 304.482 2.538 20 0 DFADHO C[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])N1CCC(C)CC1 ZINC000246544872 426843271 /nfs/dbraw/zinc/84/32/71/426843271.db2.gz SOMXIKGBCNREDA-IXDOHACOSA-N 1 3 309.498 2.521 20 0 DFADHO CN1CCN(CC[NH2+]Cc2ccc(Cl)c(F)c2)CC1(C)C ZINC000282218079 426856077 /nfs/dbraw/zinc/85/60/77/426856077.db2.gz DTIVABRBJZFZRS-UHFFFAOYSA-N 1 3 313.848 2.595 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)N(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274888849 426856606 /nfs/dbraw/zinc/85/66/06/426856606.db2.gz JAMFBFSMAYBCDZ-WMZOPIPTSA-N 1 3 303.494 2.827 20 0 DFADHO O[C@H](CN1CCC[C@H]2CCC[C@@H]21)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000246016543 426791754 /nfs/dbraw/zinc/79/17/54/426791754.db2.gz UKVPWJUNWRTQRK-PJVZLEMVSA-N 1 3 306.494 2.876 20 0 DFADHO O[C@H](CN1CCC[C@H]2CCC[C@@H]21)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000246016543 426791758 /nfs/dbraw/zinc/79/17/58/426791758.db2.gz UKVPWJUNWRTQRK-PJVZLEMVSA-N 1 3 306.494 2.876 20 0 DFADHO O[C@@H](CN1CCC[C@@H]2CCC[C@@H]21)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000246016543 426791766 /nfs/dbraw/zinc/79/17/66/426791766.db2.gz UKVPWJUNWRTQRK-PJVZLEMVSA-N 1 3 306.494 2.876 20 0 DFADHO O[C@@H](CN1CCC[C@@H]2CCC[C@@H]21)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000246016543 426791769 /nfs/dbraw/zinc/79/17/69/426791769.db2.gz UKVPWJUNWRTQRK-PJVZLEMVSA-N 1 3 306.494 2.876 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)c1nc(-c2ccccc2)no1 ZINC000179478750 426793376 /nfs/dbraw/zinc/79/33/76/426793376.db2.gz ODYGXZAEVYLAML-IIAWOOMASA-N 1 3 314.433 2.912 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1nc(-c2ccccc2)no1 ZINC000179478750 426793382 /nfs/dbraw/zinc/79/33/82/426793382.db2.gz ODYGXZAEVYLAML-IIAWOOMASA-N 1 3 314.433 2.912 20 0 DFADHO CN1CCN(CC[NH2+]Cc2cccc3ccccc32)CC1(C)C ZINC000282235677 426860252 /nfs/dbraw/zinc/86/02/52/426860252.db2.gz FUBWQGFJLVKYPM-UHFFFAOYSA-N 1 3 311.473 2.955 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2OCCOC)[C@@H](C)C1 ZINC000246835371 426869515 /nfs/dbraw/zinc/86/95/15/426869515.db2.gz BHTGLRTYQIMCIF-WMZOPIPTSA-N 1 3 320.477 2.840 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000246864815 426875645 /nfs/dbraw/zinc/87/56/45/426875645.db2.gz CQXJHWSMZOMVMV-VWPFQQQWSA-N 1 3 323.431 2.862 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000246864815 426875651 /nfs/dbraw/zinc/87/56/51/426875651.db2.gz CQXJHWSMZOMVMV-VWPFQQQWSA-N 1 3 323.431 2.862 20 0 DFADHO CC[C@H](C(=O)N1CCC(CCC[NH+](CC)CC)CC1)N(C)C ZINC000180757607 426885497 /nfs/dbraw/zinc/88/54/97/426885497.db2.gz MGBQLBBWIHXTBQ-QGZVFWFLSA-N 1 3 311.514 2.687 20 0 DFADHO CCOCc1cc(C[N@H+](C)C[C@H]2CCN(C)C2)ccc1OC ZINC000275652442 426886602 /nfs/dbraw/zinc/88/66/02/426886602.db2.gz KRBAXYZRQKCINU-INIZCTEOSA-N 1 3 306.450 2.615 20 0 DFADHO CCOCc1cc(C[N@@H+](C)C[C@H]2CCN(C)C2)ccc1OC ZINC000275652442 426886608 /nfs/dbraw/zinc/88/66/08/426886608.db2.gz KRBAXYZRQKCINU-INIZCTEOSA-N 1 3 306.450 2.615 20 0 DFADHO C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)CN1Cc1ccccc1 ZINC000247139839 426906608 /nfs/dbraw/zinc/90/66/08/426906608.db2.gz QTIYVGYNRMSCCF-JOMPHRNESA-N 1 3 315.505 2.968 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CC2 ZINC000282415068 426906671 /nfs/dbraw/zinc/90/66/71/426906671.db2.gz SIEFTEPXXFIQCR-GOSISDBHSA-N 1 3 301.478 2.598 20 0 DFADHO C[C@H](O)C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000305272966 426907104 /nfs/dbraw/zinc/90/71/04/426907104.db2.gz AJSFBQOEFUODLU-NQYYFHDYSA-N 1 3 302.462 2.758 20 0 DFADHO C[C@H](O)C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000305272966 426907110 /nfs/dbraw/zinc/90/71/10/426907110.db2.gz AJSFBQOEFUODLU-NQYYFHDYSA-N 1 3 302.462 2.758 20 0 DFADHO CC(C)(C)OC1CC(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000305866828 426914198 /nfs/dbraw/zinc/91/41/98/426914198.db2.gz ZVYGECHYPIKLLM-FOIPXRHGSA-N 1 3 324.509 2.690 20 0 DFADHO C[C@@H](C[NH2+]Cc1cccc(OCC(F)(F)F)c1)CN(C)C ZINC000291707598 426959447 /nfs/dbraw/zinc/95/94/47/426959447.db2.gz KWJYMVKSCMMBTE-LBPRGKRZSA-N 1 3 304.356 2.915 20 0 DFADHO C[C@H](C[NH2+]Cc1cccc(OCC(F)(F)F)c1)CN(C)C ZINC000291707597 426960244 /nfs/dbraw/zinc/96/02/44/426960244.db2.gz KWJYMVKSCMMBTE-GFCCVEGCSA-N 1 3 304.356 2.915 20 0 DFADHO CCC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC)N(C)C ZINC000337950633 427057269 /nfs/dbraw/zinc/05/72/69/427057269.db2.gz ZXCACDOZWZFEFV-MSOLQXFVSA-N 1 3 319.493 2.916 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](CCCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000182028189 427010284 /nfs/dbraw/zinc/01/02/84/427010284.db2.gz ACUPIHGVBNNMEG-CVEARBPZSA-N 1 3 310.482 2.915 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](CCCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000182028189 427010297 /nfs/dbraw/zinc/01/02/97/427010297.db2.gz ACUPIHGVBNNMEG-CVEARBPZSA-N 1 3 310.482 2.915 20 0 DFADHO OC(CN1CCC[C@H]1C1CCC1)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000248727601 427034291 /nfs/dbraw/zinc/03/42/91/427034291.db2.gz IYQQASCIZYTHMT-OALUTQOASA-N 1 3 306.494 2.876 20 0 DFADHO OC(CN1CCC[C@H]1C1CCC1)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000248727601 427034296 /nfs/dbraw/zinc/03/42/96/427034296.db2.gz IYQQASCIZYTHMT-OALUTQOASA-N 1 3 306.494 2.876 20 0 DFADHO C[C@H](C1CC1)N(CC(O)C[N@H+]([C@H](C)C1CC1)C1CC1)C1CC1 ZINC000248734869 427037278 /nfs/dbraw/zinc/03/72/78/427037278.db2.gz MRDGBIXUBYADJC-ZIAGYGMSSA-N 1 3 306.494 2.873 20 0 DFADHO C[C@H](C1CC1)N(CC(O)C[N@@H+]([C@H](C)C1CC1)C1CC1)C1CC1 ZINC000248734869 427037281 /nfs/dbraw/zinc/03/72/81/427037281.db2.gz MRDGBIXUBYADJC-ZIAGYGMSSA-N 1 3 306.494 2.873 20 0 DFADHO C[C@@H](CCNC(=O)c1ccc(CN(C)C)cc1)[NH+]1CCCCC1 ZINC000182249029 427039668 /nfs/dbraw/zinc/03/96/68/427039668.db2.gz GSWLFBSMEUGYCU-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO CN1CCCN(CCC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000249083137 427085595 /nfs/dbraw/zinc/08/55/95/427085595.db2.gz AUSHVGANJJFQNA-GJZGRUSLSA-N 1 3 321.431 2.725 20 0 DFADHO CC[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC000268709500 427096149 /nfs/dbraw/zinc/09/61/49/427096149.db2.gz CREKEQRFRKJYNA-GOEBONIOSA-N 1 3 305.466 2.572 20 0 DFADHO C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)N1[C@H](C)CC[C@H]1C ZINC000338029773 427101332 /nfs/dbraw/zinc/10/13/32/427101332.db2.gz OYLFRQURXYACRH-ZACQAIPSSA-N 1 3 309.498 2.630 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)[C@@H]3CCCC[C@@H]32)CC1 ZINC000249297991 427104622 /nfs/dbraw/zinc/10/46/22/427104622.db2.gz RMSOVXWODOKRKQ-QYZOEREBSA-N 1 3 307.526 2.913 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)[C@@H]3CCCC[C@@H]32)CC1 ZINC000249297991 427104628 /nfs/dbraw/zinc/10/46/28/427104628.db2.gz RMSOVXWODOKRKQ-QYZOEREBSA-N 1 3 307.526 2.913 20 0 DFADHO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249396740 427112067 /nfs/dbraw/zinc/11/20/67/427112067.db2.gz BCFAUGFMCGJSPX-KBAYOESNSA-N 1 3 317.477 2.526 20 0 DFADHO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249396740 427112072 /nfs/dbraw/zinc/11/20/72/427112072.db2.gz BCFAUGFMCGJSPX-KBAYOESNSA-N 1 3 317.477 2.526 20 0 DFADHO CNC(=O)C[C@H](C)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000268927106 427139798 /nfs/dbraw/zinc/13/97/98/427139798.db2.gz YDFCDXNHZAQGGP-INIZCTEOSA-N 1 3 317.477 2.533 20 0 DFADHO CCC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OC)cc1 ZINC000268981759 427142345 /nfs/dbraw/zinc/14/23/45/427142345.db2.gz KTWSLVFOTFPXLR-QGZVFWFLSA-N 1 3 306.450 2.583 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000269003508 427144758 /nfs/dbraw/zinc/14/47/58/427144758.db2.gz PWOALCGTZUHLDT-ZWKOTPCHSA-N 1 3 302.462 2.759 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000269237016 427151837 /nfs/dbraw/zinc/15/18/37/427151837.db2.gz NKZGIWHXJWDMQS-MAUKXSAKSA-N 1 3 317.477 2.661 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000269237016 427151841 /nfs/dbraw/zinc/15/18/41/427151841.db2.gz NKZGIWHXJWDMQS-MAUKXSAKSA-N 1 3 317.477 2.661 20 0 DFADHO C[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)[C@@H](N)c1ccccc1 ZINC000165005788 271094529 /nfs/dbraw/zinc/09/45/29/271094529.db2.gz URWPHYXLILXWHM-MAUKXSAKSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)[C@@H](N)c1ccccc1 ZINC000165005788 271094533 /nfs/dbraw/zinc/09/45/33/271094533.db2.gz URWPHYXLILXWHM-MAUKXSAKSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@H]1CCC[C@H](CC[NH+]2CCC(C(=O)NCCN(C)C)CC2)C1 ZINC000177050738 271173198 /nfs/dbraw/zinc/17/31/98/271173198.db2.gz RJEQSJUTUBAJIS-DLBZAZTESA-N 1 3 323.525 2.593 20 0 DFADHO C[C@@H]([NH2+]CC1(C)OCCCO1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000277335383 427168168 /nfs/dbraw/zinc/16/81/68/427168168.db2.gz UPKGTVSJFMWRPJ-AEFFLSMTSA-N 1 3 318.461 2.640 20 0 DFADHO CN(C)Cc1ccc(C[NH2+]CCCNC(=O)OC(C)(C)C)cc1 ZINC000237037969 271243184 /nfs/dbraw/zinc/24/31/84/271243184.db2.gz KXMDKEWVHKPDSA-UHFFFAOYSA-N 1 3 321.465 2.753 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CCN1 ZINC000333344101 271371578 /nfs/dbraw/zinc/37/15/78/271371578.db2.gz YUTKJOFFOQOZEU-RQMAVPSVSA-N 1 3 313.445 2.549 20 0 DFADHO OC1(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000284361202 427190629 /nfs/dbraw/zinc/19/06/29/427190629.db2.gz NAMMMLKBCDAENR-GBESFXJTSA-N 1 3 314.473 2.792 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285604259 427285108 /nfs/dbraw/zinc/28/51/08/427285108.db2.gz JWPWRSRXZARJGQ-CQSZACIVSA-N 1 3 317.433 2.544 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNC/C=C/c2ccc(F)cc2)CC1 ZINC000269596694 427226900 /nfs/dbraw/zinc/22/69/00/427226900.db2.gz GOAYLKZVGBNFSR-ONEGZZNKSA-N 1 3 306.425 2.664 20 0 DFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000183237326 427228903 /nfs/dbraw/zinc/22/89/03/427228903.db2.gz MPNHODGFYCDKDZ-LSDHHAIUSA-N 1 3 311.470 2.508 20 0 DFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000183237326 427228908 /nfs/dbraw/zinc/22/89/08/427228908.db2.gz MPNHODGFYCDKDZ-LSDHHAIUSA-N 1 3 311.470 2.508 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cccc(F)c1F ZINC000183279943 427237717 /nfs/dbraw/zinc/23/77/17/427237717.db2.gz JWBPBFGIKUUYDH-QWHCGFSZSA-N 1 3 300.393 2.972 20 0 DFADHO C(CO[C@@H]1CCCCO1)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000338314193 427255954 /nfs/dbraw/zinc/25/59/54/427255954.db2.gz IKUZNTIVMNGUTF-QZTJIDSGSA-N 1 3 310.482 2.728 20 0 DFADHO C(CO[C@@H]1CCCCO1)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000338314193 427255958 /nfs/dbraw/zinc/25/59/58/427255958.db2.gz IKUZNTIVMNGUTF-QZTJIDSGSA-N 1 3 310.482 2.728 20 0 DFADHO COCC(C)(C)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000293249333 427260081 /nfs/dbraw/zinc/26/00/81/427260081.db2.gz BNSJIFTWSNQKMU-HNNXBMFYSA-N 1 3 308.466 2.950 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000293312384 427283067 /nfs/dbraw/zinc/28/30/67/427283067.db2.gz FFEIPRPPAOBLAJ-INMHGKMJSA-N 1 3 305.441 2.724 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000293312384 427283072 /nfs/dbraw/zinc/28/30/72/427283072.db2.gz FFEIPRPPAOBLAJ-INMHGKMJSA-N 1 3 305.441 2.724 20 0 DFADHO c1cn(CCCN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000285747185 427326820 /nfs/dbraw/zinc/32/68/20/427326820.db2.gz YMZQJBCYDZEOIY-HXUWFJFHSA-N 1 3 324.472 2.871 20 0 DFADHO c1cn(CCCN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000285747185 427326827 /nfs/dbraw/zinc/32/68/27/427326827.db2.gz YMZQJBCYDZEOIY-HXUWFJFHSA-N 1 3 324.472 2.871 20 0 DFADHO C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261722175 427338107 /nfs/dbraw/zinc/33/81/07/427338107.db2.gz GBEPZGAFMYCOBV-MJGOQNOKSA-N 1 3 301.478 2.582 20 0 DFADHO CC(C)N1CCN(CCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000191390464 427338760 /nfs/dbraw/zinc/33/87/60/427338760.db2.gz HZCJAJBFGQLMRM-UHFFFAOYSA-N 1 3 307.457 2.674 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000191390464 427338763 /nfs/dbraw/zinc/33/87/63/427338763.db2.gz HZCJAJBFGQLMRM-UHFFFAOYSA-N 1 3 307.457 2.674 20 0 DFADHO CC(C)Oc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261894209 427344795 /nfs/dbraw/zinc/34/47/95/427344795.db2.gz GWVSPNHJKYQCTK-RCCFBDPRSA-N 1 3 318.461 2.721 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)CO2 ZINC000297504823 427408305 /nfs/dbraw/zinc/40/83/05/427408305.db2.gz CDVQIGKTYNGREB-NVXWUHKLSA-N 1 3 318.461 2.709 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000293718549 427414411 /nfs/dbraw/zinc/41/44/11/427414411.db2.gz PKHRMYUTDAQWHY-GJZGRUSLSA-N 1 3 305.466 2.753 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)NC[C@H](C)C[NH+](C)C ZINC000293718549 427414416 /nfs/dbraw/zinc/41/44/16/427414416.db2.gz PKHRMYUTDAQWHY-GJZGRUSLSA-N 1 3 305.466 2.753 20 0 DFADHO CC(C)[N@@H+]1CCCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000297632879 427417215 /nfs/dbraw/zinc/41/72/15/427417215.db2.gz HYZVHAKIZXURQO-IBGZPJMESA-N 1 3 301.478 2.677 20 0 DFADHO CC(C)[N@H+]1CCCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000297632879 427417224 /nfs/dbraw/zinc/41/72/24/427417224.db2.gz HYZVHAKIZXURQO-IBGZPJMESA-N 1 3 301.478 2.677 20 0 DFADHO CN(CC1CC[NH2+]CC1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000262303494 427354906 /nfs/dbraw/zinc/35/49/06/427354906.db2.gz XVUXUAWFNNRKKQ-GOSISDBHSA-N 1 3 316.424 2.580 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277925131 427360701 /nfs/dbraw/zinc/36/07/01/427360701.db2.gz YIDLVRIMFSEDLF-IBGZPJMESA-N 1 3 316.489 2.788 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC(CO)(Cc2ccccc2)CC1 ZINC000277925131 427360710 /nfs/dbraw/zinc/36/07/10/427360710.db2.gz YIDLVRIMFSEDLF-IBGZPJMESA-N 1 3 316.489 2.788 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC(CO)(Cc2ccccc2)CC1 ZINC000277925131 427360715 /nfs/dbraw/zinc/36/07/15/427360715.db2.gz YIDLVRIMFSEDLF-IBGZPJMESA-N 1 3 316.489 2.788 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN(C)C)c(C)c1 ZINC000293874509 427474895 /nfs/dbraw/zinc/47/48/95/427474895.db2.gz YITQMZSGRQXHJP-GOEBONIOSA-N 1 3 305.466 2.808 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@H](C)C[NH+](C)C)c(C)c1 ZINC000293874509 427474902 /nfs/dbraw/zinc/47/49/02/427474902.db2.gz YITQMZSGRQXHJP-GOEBONIOSA-N 1 3 305.466 2.808 20 0 DFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccnc(N)c1 ZINC000278871985 427483533 /nfs/dbraw/zinc/48/35/33/427483533.db2.gz OEMSPDADHQYDKV-MAUKXSAKSA-N 1 3 310.445 2.664 20 0 DFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccnc(N)c1 ZINC000278871985 427483537 /nfs/dbraw/zinc/48/35/37/427483537.db2.gz OEMSPDADHQYDKV-MAUKXSAKSA-N 1 3 310.445 2.664 20 0 DFADHO CN(C)CCN(C(=O)CC1(C[NH3+])CCCCC1)c1ccccc1 ZINC000184229478 427419974 /nfs/dbraw/zinc/41/99/74/427419974.db2.gz RXCYYCWFEXLOMT-UHFFFAOYSA-N 1 3 317.477 2.881 20 0 DFADHO CCCCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286089108 427420535 /nfs/dbraw/zinc/42/05/35/427420535.db2.gz STDOSBGQZSJDCW-LJQANCHMSA-N 1 3 301.478 2.679 20 0 DFADHO CCCCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286089108 427420543 /nfs/dbraw/zinc/42/05/43/427420543.db2.gz STDOSBGQZSJDCW-LJQANCHMSA-N 1 3 301.478 2.679 20 0 DFADHO C[C@@H]1C[C@@H](CC[NH2+]C2CCN(c3ccncc3)CC2)CCO1 ZINC000297697998 427433868 /nfs/dbraw/zinc/43/38/68/427433868.db2.gz QFOBWRPLHMJGPC-CVEARBPZSA-N 1 3 303.450 2.845 20 0 DFADHO CC1(C)OCC[C@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000293956455 427501264 /nfs/dbraw/zinc/50/12/64/427501264.db2.gz ZQTRZRFYQBUZLA-QZTJIDSGSA-N 1 3 302.462 2.708 20 0 DFADHO COc1cccc([C@@H](C[NH2+]C2CCN(C3CC3)CC2)N(C)C)c1 ZINC000298239416 427543911 /nfs/dbraw/zinc/54/39/11/427543911.db2.gz CBHKRNYMORDIKG-LJQANCHMSA-N 1 3 317.477 2.514 20 0 DFADHO COc1cccc([C@@H](CNC2CC[NH+](C3CC3)CC2)N(C)C)c1 ZINC000298239416 427543920 /nfs/dbraw/zinc/54/39/20/427543920.db2.gz CBHKRNYMORDIKG-LJQANCHMSA-N 1 3 317.477 2.514 20 0 DFADHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2ccccc2)CC1 ZINC000263726588 427551375 /nfs/dbraw/zinc/55/13/75/427551375.db2.gz RRXQYXXFWDBUIE-UHFFFAOYSA-N 1 3 303.450 2.820 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)ccn1 ZINC000294307419 427618191 /nfs/dbraw/zinc/61/81/91/427618191.db2.gz VOLLDYQHJOBLIW-KZNAEPCWSA-N 1 3 313.445 2.598 20 0 DFADHO CN(C)c1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000294141327 427562273 /nfs/dbraw/zinc/56/22/73/427562273.db2.gz GKUQLUJEAUTDIK-UHFFFAOYSA-N 1 3 310.445 2.906 20 0 DFADHO COc1ccccc1[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000271524074 427572220 /nfs/dbraw/zinc/57/22/20/427572220.db2.gz PVULXHYMCRSZII-QGTPRVQTSA-N 1 3 318.461 2.724 20 0 DFADHO C[C@H](CN1CCCCC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298434528 427608201 /nfs/dbraw/zinc/60/82/01/427608201.db2.gz NDWOHIRJNWIUTD-MRXNPFEDSA-N 1 3 302.466 2.514 20 0 DFADHO Cc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000192773585 427610111 /nfs/dbraw/zinc/61/01/11/427610111.db2.gz JECIWFKRRSCDJR-XVLXNVKGSA-N 1 3 301.478 2.813 20 0 DFADHO Cc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000192773585 427610120 /nfs/dbraw/zinc/61/01/20/427610120.db2.gz JECIWFKRRSCDJR-XVLXNVKGSA-N 1 3 301.478 2.813 20 0 DFADHO Cc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)N(C)C)cc1 ZINC000192773585 427610128 /nfs/dbraw/zinc/61/01/28/427610128.db2.gz JECIWFKRRSCDJR-XVLXNVKGSA-N 1 3 301.478 2.813 20 0 DFADHO CN(C)C1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCCC1 ZINC000298487504 427627990 /nfs/dbraw/zinc/62/79/90/427627990.db2.gz PSLVFAXZKLFNGP-UHFFFAOYSA-N 1 3 316.493 2.905 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@](C)(O)c1cccc(Cl)c1 ZINC000185309102 427630225 /nfs/dbraw/zinc/63/02/25/427630225.db2.gz NJHNSADWEJUFBN-OMNBBPDLSA-N 1 3 310.869 2.866 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@](C)(O)c1cccc(Cl)c1 ZINC000185309102 427630232 /nfs/dbraw/zinc/63/02/32/427630232.db2.gz NJHNSADWEJUFBN-OMNBBPDLSA-N 1 3 310.869 2.866 20 0 DFADHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c2ccccc2n1 ZINC000192906982 427632274 /nfs/dbraw/zinc/63/22/74/427632274.db2.gz KLYQDCYEZLPWIM-MQVJKMGUSA-N 1 3 311.429 2.958 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC000342291773 271983045 /nfs/dbraw/zinc/98/30/45/271983045.db2.gz NRSUTXZUVODMIY-IAGOWNOFSA-N 1 3 305.441 2.809 20 0 DFADHO c1cnn(Cc2ccccc2CNC2CC[NH+](C3CC3)CC2)c1 ZINC000298574096 427651887 /nfs/dbraw/zinc/65/18/87/427651887.db2.gz XGYDZJHAGQFSSY-UHFFFAOYSA-N 1 3 310.445 2.648 20 0 DFADHO CC(=O)Nc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298578479 427652577 /nfs/dbraw/zinc/65/25/77/427652577.db2.gz XOMSYBMGQIIZFU-UHFFFAOYSA-N 1 3 324.428 2.799 20 0 DFADHO CC(C)[C@H]1CCC[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000333608761 427659150 /nfs/dbraw/zinc/65/91/50/427659150.db2.gz RQKDFARGWDQMAQ-LSDHHAIUSA-N 1 3 305.470 2.576 20 0 DFADHO CC[NH+](CC)CC1CCN(Cc2cccc3nccn32)CC1 ZINC000342671652 272039625 /nfs/dbraw/zinc/03/96/25/272039625.db2.gz BHKBCALJVZBPHE-UHFFFAOYSA-N 1 3 300.450 2.888 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000342776430 272052695 /nfs/dbraw/zinc/05/26/95/272052695.db2.gz HAWNEFVYCPEWLQ-SFHVURJKSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)N1CCCCCC1 ZINC000342925980 272067162 /nfs/dbraw/zinc/06/71/62/272067162.db2.gz NFUFQLNZGZTJCL-INIZCTEOSA-N 1 3 317.477 2.629 20 0 DFADHO CCc1cc(N(C)C[C@@H]2C[C@@H](OC)C[N@@H+]2C)c2ccccc2n1 ZINC000343299290 272115037 /nfs/dbraw/zinc/11/50/37/272115037.db2.gz BDZGILDLYMDDOK-JKSUJKDBSA-N 1 3 313.445 2.953 20 0 DFADHO CCc1cc(N(C)C[C@@H]2C[C@@H](OC)C[N@H+]2C)c2ccccc2n1 ZINC000343299290 272115039 /nfs/dbraw/zinc/11/50/39/272115039.db2.gz BDZGILDLYMDDOK-JKSUJKDBSA-N 1 3 313.445 2.953 20 0 DFADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCOCCN(C)C)C1 ZINC000343463467 272153063 /nfs/dbraw/zinc/15/30/63/272153063.db2.gz ZGOZGERAGVJQMR-SJORKVTESA-N 1 3 305.466 2.584 20 0 DFADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(OCCN(C)C)cc1 ZINC000343492859 272158714 /nfs/dbraw/zinc/15/87/14/272158714.db2.gz CMWQUOCAYWLOHO-ZOBUZTSGSA-N 1 3 306.450 2.703 20 0 DFADHO C[C@H](CCO)CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000295054592 427674171 /nfs/dbraw/zinc/67/41/71/427674171.db2.gz GBMBAYCBNPAGLZ-IJXRJRJASA-N 1 3 316.489 2.895 20 0 DFADHO CCc1c(C)[nH+]c2ccccc2c1NC[C@H]1CN(C)CCN1C ZINC000272222369 427676342 /nfs/dbraw/zinc/67/63/42/427676342.db2.gz NVQHQTGTZHUAGT-HNNXBMFYSA-N 1 3 312.461 2.763 20 0 DFADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C12CCC2 ZINC000344045749 272252790 /nfs/dbraw/zinc/25/27/90/272252790.db2.gz GSDDCPCHXPZHCS-MDMSPXHWSA-N 1 3 324.509 2.669 20 0 DFADHO CC[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)N(CC)CC ZINC000344518742 272333256 /nfs/dbraw/zinc/33/32/56/272333256.db2.gz BXWXQXKBGMESPW-DLBZAZTESA-N 1 3 311.514 2.735 20 0 DFADHO CC[C@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)N(CC)CC ZINC000344518742 272333257 /nfs/dbraw/zinc/33/32/57/272333257.db2.gz BXWXQXKBGMESPW-DLBZAZTESA-N 1 3 311.514 2.735 20 0 DFADHO C[C@@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)N1CCCCCC1 ZINC000344593454 272343384 /nfs/dbraw/zinc/34/33/84/272343384.db2.gz DLJCKLORWQKHKZ-FUHWJXTLSA-N 1 3 323.525 2.878 20 0 DFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000344662698 272353547 /nfs/dbraw/zinc/35/35/47/272353547.db2.gz KFVCWYUIEZAZRK-IRXDYDNUSA-N 1 3 321.509 2.630 20 0 DFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000344662698 272353548 /nfs/dbraw/zinc/35/35/48/272353548.db2.gz KFVCWYUIEZAZRK-IRXDYDNUSA-N 1 3 321.509 2.630 20 0 DFADHO CC[C@H](C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)N(CC)CC ZINC000345043491 272397462 /nfs/dbraw/zinc/39/74/62/272397462.db2.gz HUEGQEVAPXUSTM-ZJPYXAASSA-N 1 3 323.525 2.971 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CO)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185755371 427700470 /nfs/dbraw/zinc/70/04/70/427700470.db2.gz WKHAYMOZQBXTQW-CRAIPNDOSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@@H]1C[C@H](N(C)C[C@@H](O)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000287921924 427716833 /nfs/dbraw/zinc/71/68/33/427716833.db2.gz WDEJOYGGUMWLPD-XYPHTWIQSA-N 1 3 310.869 2.658 20 0 DFADHO C[C@@H]1C[C@H](N(C)C[C@@H](O)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000287921924 427716838 /nfs/dbraw/zinc/71/68/38/427716838.db2.gz WDEJOYGGUMWLPD-XYPHTWIQSA-N 1 3 310.869 2.658 20 0 DFADHO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000339175339 427717895 /nfs/dbraw/zinc/71/78/95/427717895.db2.gz XCPVFNWSSBZAEV-SJORKVTESA-N 1 3 310.482 2.964 20 0 DFADHO COc1ccc(C[NH2+]CCOCCN(C)C)c2ccccc12 ZINC000336866431 427766957 /nfs/dbraw/zinc/76/69/57/427766957.db2.gz WNEMZNQHTMKTEJ-UHFFFAOYSA-N 1 3 302.418 2.516 20 0 DFADHO Cc1ccc(CCC[N@@H+]2C[C@H](CN)[C@@H](c3ccccc3)C2)cn1 ZINC000339406879 427769492 /nfs/dbraw/zinc/76/94/92/427769492.db2.gz GZVHKZMOQWSACR-VQTJNVASSA-N 1 3 309.457 2.997 20 0 DFADHO Cc1ccc(CCC[N@H+]2C[C@H](CN)[C@@H](c3ccccc3)C2)cn1 ZINC000339406879 427769495 /nfs/dbraw/zinc/76/94/95/427769495.db2.gz GZVHKZMOQWSACR-VQTJNVASSA-N 1 3 309.457 2.997 20 0 DFADHO CN(C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000193957737 427725466 /nfs/dbraw/zinc/72/54/66/427725466.db2.gz IYVJSGQETONJHL-KZNAEPCWSA-N 1 3 300.446 2.795 20 0 DFADHO Cc1sccc1C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000339300197 427753700 /nfs/dbraw/zinc/75/37/00/427753700.db2.gz BTQKFTZQULABHK-IRXDYDNUSA-N 1 3 308.491 2.914 20 0 DFADHO CC[C@@H]1C[C@H](C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000355675760 427843365 /nfs/dbraw/zinc/84/33/65/427843365.db2.gz WANNRHCLHMVYMG-WNRNVDISSA-N 1 3 312.498 2.671 20 0 DFADHO OCC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000359428512 427847747 /nfs/dbraw/zinc/84/77/47/427847747.db2.gz RXNMVJNKYOHLEM-IBGZPJMESA-N 1 3 324.509 2.551 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CC[C@H](C)C1 ZINC000345657204 427847744 /nfs/dbraw/zinc/84/77/44/427847744.db2.gz VFUGDLBLFVBZDF-OKZBNKHCSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CC[C@H](C)C1 ZINC000345657204 427847748 /nfs/dbraw/zinc/84/77/48/427847748.db2.gz VFUGDLBLFVBZDF-OKZBNKHCSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@@]1(C)CCCO1 ZINC000340459194 427850997 /nfs/dbraw/zinc/85/09/97/427850997.db2.gz CNGCEQASDPKQGD-CRAIPNDOSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cccc(CN(C)C)c1 ZINC000355814212 427906856 /nfs/dbraw/zinc/90/68/56/427906856.db2.gz SUMQGQWAWWTVFT-HZPDHXFCSA-N 1 3 317.477 2.741 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CCCN(C(C)C)CC1 ZINC000337460998 427917822 /nfs/dbraw/zinc/91/78/22/427917822.db2.gz PJMRBGKYUOJZJH-UHFFFAOYSA-N 1 3 311.514 2.831 20 0 DFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)N(CC)CC ZINC000345817299 427918623 /nfs/dbraw/zinc/91/86/23/427918623.db2.gz XRSXZZPMSLHDKU-QGZVFWFLSA-N 1 3 311.514 2.830 20 0 DFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)N(CC)CC ZINC000345817299 427918625 /nfs/dbraw/zinc/91/86/25/427918625.db2.gz XRSXZZPMSLHDKU-QGZVFWFLSA-N 1 3 311.514 2.830 20 0 DFADHO CCN(CC[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340223306 427957469 /nfs/dbraw/zinc/95/74/69/427957469.db2.gz QLNDKMYAUNTWAY-PKOBYXMFSA-N 1 3 301.478 2.896 20 0 DFADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340256397 427967544 /nfs/dbraw/zinc/96/75/44/427967544.db2.gz HQBXSORAQGAZAD-JQFCIGGWSA-N 1 3 304.434 2.997 20 0 DFADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340256397 427967548 /nfs/dbraw/zinc/96/75/48/427967548.db2.gz HQBXSORAQGAZAD-JQFCIGGWSA-N 1 3 304.434 2.997 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337599533 427976144 /nfs/dbraw/zinc/97/61/44/427976144.db2.gz MYYAOARHSQXFEJ-PVAVHDDUSA-N 1 3 316.445 2.953 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337599533 427976148 /nfs/dbraw/zinc/97/61/48/427976148.db2.gz MYYAOARHSQXFEJ-PVAVHDDUSA-N 1 3 316.445 2.953 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000337599533 427976151 /nfs/dbraw/zinc/97/61/51/427976151.db2.gz MYYAOARHSQXFEJ-PVAVHDDUSA-N 1 3 316.445 2.953 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N(C)CC1CCN(C)CC1 ZINC000337505380 427936023 /nfs/dbraw/zinc/93/60/23/427936023.db2.gz FFTMISPRFQUKMA-UHFFFAOYSA-N 1 3 311.514 2.689 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000346132515 428030226 /nfs/dbraw/zinc/03/02/26/428030226.db2.gz BXNSPULQCFKTBP-CALCHBBNSA-N 1 3 323.525 2.830 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000346132515 428030228 /nfs/dbraw/zinc/03/02/28/428030228.db2.gz BXNSPULQCFKTBP-CALCHBBNSA-N 1 3 323.525 2.830 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cccc(OCCN(C)C)c1 ZINC000359876572 428056741 /nfs/dbraw/zinc/05/67/41/428056741.db2.gz OOISVLNURQOEGA-KYNGSXCRSA-N 1 3 318.461 2.845 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(C)nc2C)C1 ZINC000359878368 428058077 /nfs/dbraw/zinc/05/80/77/428058077.db2.gz PCXJCJOMIVYMOX-GOSISDBHSA-N 1 3 305.466 2.631 20 0 DFADHO C[C@H]1C[NH+](CC2CCN(CCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000369583409 428008298 /nfs/dbraw/zinc/00/82/98/428008298.db2.gz ILKOKSXJHKGVMW-STQMWFEESA-N 1 3 308.388 2.760 20 0 DFADHO C[C@H]1CCCCN1CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000360007759 428115856 /nfs/dbraw/zinc/11/58/56/428115856.db2.gz RDAYVHHMNXDLFT-DLBZAZTESA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]1CCCCN1CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000360007759 428115863 /nfs/dbraw/zinc/11/58/63/428115863.db2.gz RDAYVHHMNXDLFT-DLBZAZTESA-N 1 3 321.509 2.632 20 0 DFADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000360026346 428123251 /nfs/dbraw/zinc/12/32/51/428123251.db2.gz YFZGNUNFOZFGOZ-RHSMWYFYSA-N 1 3 303.450 2.855 20 0 DFADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000360026346 428123258 /nfs/dbraw/zinc/12/32/58/428123258.db2.gz YFZGNUNFOZFGOZ-RHSMWYFYSA-N 1 3 303.450 2.855 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C[C@@H]1C ZINC000413498449 428064524 /nfs/dbraw/zinc/06/45/24/428064524.db2.gz MQSHEVLJXJAPET-NRKLIOEPSA-N 1 3 309.498 2.579 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C[C@@H]1C ZINC000413498449 428064527 /nfs/dbraw/zinc/06/45/27/428064527.db2.gz MQSHEVLJXJAPET-NRKLIOEPSA-N 1 3 309.498 2.579 20 0 DFADHO c1cc(CCCN2CCC[C@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC000352540455 428143161 /nfs/dbraw/zinc/14/31/61/428143161.db2.gz LIEPMXBVGHUGQP-LJQANCHMSA-N 1 3 300.446 2.630 20 0 DFADHO CN1CC[NH+](C[C@@H]2CCCN(C/C=C/c3ccccc3)C2)CC1 ZINC000377628671 428177283 /nfs/dbraw/zinc/17/72/83/428177283.db2.gz QLXWKFQEWNFNNP-MVHVFESUSA-N 1 3 313.489 2.659 20 0 DFADHO Cc1ccc(C[NH+]2CCC(CN3CCN(C)CC3)CC2)s1 ZINC000377634036 428179378 /nfs/dbraw/zinc/17/93/78/428179378.db2.gz WNWNQUBCUMJVRD-UHFFFAOYSA-N 1 3 307.507 2.516 20 0 DFADHO CC[C@H](C)[C@H](C)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000356498858 428205714 /nfs/dbraw/zinc/20/57/14/428205714.db2.gz ACQPWVPBVTUEHC-ULQDDVLXSA-N 1 3 311.514 2.543 20 0 DFADHO CC[C@H](C)[C@H](C)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000356498858 428205717 /nfs/dbraw/zinc/20/57/17/428205717.db2.gz ACQPWVPBVTUEHC-ULQDDVLXSA-N 1 3 311.514 2.543 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000414155501 428220126 /nfs/dbraw/zinc/22/01/26/428220126.db2.gz SXNBFUCEXMZKMZ-MRXNPFEDSA-N 1 3 319.493 2.680 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@H]1CCCO1 ZINC000346565403 428221002 /nfs/dbraw/zinc/22/10/02/428221002.db2.gz SGONGXINHZEMJZ-QXAKKESOSA-N 1 3 302.462 2.708 20 0 DFADHO C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCO1 ZINC000346565403 428221004 /nfs/dbraw/zinc/22/10/04/428221004.db2.gz SGONGXINHZEMJZ-QXAKKESOSA-N 1 3 302.462 2.708 20 0 DFADHO C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCCO1 ZINC000346565403 428221006 /nfs/dbraw/zinc/22/10/06/428221006.db2.gz SGONGXINHZEMJZ-QXAKKESOSA-N 1 3 302.462 2.708 20 0 DFADHO CC1CC[NH+](CC2CCN(CCO[C@H]3CCCCO3)CC2)CC1 ZINC000370497250 428224456 /nfs/dbraw/zinc/22/44/56/428224456.db2.gz BFBPMVMIMCBMDM-IBGZPJMESA-N 1 3 324.509 2.974 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)C(F)(F)F)[C@H](C)C1 ZINC000346594795 428232410 /nfs/dbraw/zinc/23/24/10/428232410.db2.gz CLBWMZWBKUOEOE-MCIONIFRSA-N 1 3 310.404 2.911 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)C(F)(F)F)[C@H](C)C1 ZINC000346594795 428232419 /nfs/dbraw/zinc/23/24/19/428232419.db2.gz CLBWMZWBKUOEOE-MCIONIFRSA-N 1 3 310.404 2.911 20 0 DFADHO CN(Cc1cnn2ccccc12)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377687681 428195348 /nfs/dbraw/zinc/19/53/48/428195348.db2.gz AOAXEOGKMWKHDO-UHFFFAOYSA-N 1 3 321.428 2.830 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414351903 428268325 /nfs/dbraw/zinc/26/83/25/428268325.db2.gz SLMBEHNXBONBLM-GZOSKZMVSA-N 1 3 305.441 2.723 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414351903 428268332 /nfs/dbraw/zinc/26/83/32/428268332.db2.gz SLMBEHNXBONBLM-GZOSKZMVSA-N 1 3 305.441 2.723 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370676904 428269930 /nfs/dbraw/zinc/26/99/30/428269930.db2.gz PERYGMJGVJJUKA-QRVBRYPASA-N 1 3 320.452 2.990 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370676904 428269934 /nfs/dbraw/zinc/26/99/34/428269934.db2.gz PERYGMJGVJJUKA-QRVBRYPASA-N 1 3 320.452 2.990 20 0 DFADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OCc2ccncc2)cc1 ZINC000346693420 428276554 /nfs/dbraw/zinc/27/65/54/428276554.db2.gz NAPZSTKZYMMDDC-QAPCUYQASA-N 1 3 311.429 2.830 20 0 DFADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2C)C1 ZINC000342027959 428281637 /nfs/dbraw/zinc/28/16/37/428281637.db2.gz QJPFUGWZVFEFPG-HNNXBMFYSA-N 1 3 306.450 2.834 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342080159 428295608 /nfs/dbraw/zinc/29/56/08/428295608.db2.gz FZTRCBAETDVRCI-DZKIICNBSA-N 1 3 319.424 2.522 20 0 DFADHO CC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2C1 ZINC000352790269 428250784 /nfs/dbraw/zinc/25/07/84/428250784.db2.gz RLBWAXBSMGMVHR-BJZITVGISA-N 1 3 315.461 2.552 20 0 DFADHO CC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2C1 ZINC000352790269 428250788 /nfs/dbraw/zinc/25/07/88/428250788.db2.gz RLBWAXBSMGMVHR-BJZITVGISA-N 1 3 315.461 2.552 20 0 DFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000356604765 428251353 /nfs/dbraw/zinc/25/13/53/428251353.db2.gz SUKMOPSEPUJXMH-OAHLLOKOSA-N 1 3 305.466 2.598 20 0 DFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000356604765 428251355 /nfs/dbraw/zinc/25/13/55/428251355.db2.gz SUKMOPSEPUJXMH-OAHLLOKOSA-N 1 3 305.466 2.598 20 0 DFADHO Cc1nccn1C[C@@H](C)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000370634880 428259165 /nfs/dbraw/zinc/25/91/65/428259165.db2.gz NHSBTXVTDSVGGF-HNNXBMFYSA-N 1 3 304.482 2.824 20 0 DFADHO Cc1nccn1C[C@H](C)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000370634881 428260773 /nfs/dbraw/zinc/26/07/73/428260773.db2.gz NHSBTXVTDSVGGF-OAHLLOKOSA-N 1 3 304.482 2.824 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000414344239 428262931 /nfs/dbraw/zinc/26/29/31/428262931.db2.gz KIVZSCKUVKEFLM-ZVZYQTTQSA-N 1 3 305.441 2.724 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000414344239 428262935 /nfs/dbraw/zinc/26/29/35/428262935.db2.gz KIVZSCKUVKEFLM-ZVZYQTTQSA-N 1 3 305.441 2.724 20 0 DFADHO N[C@@H](CC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000370860671 428309205 /nfs/dbraw/zinc/30/92/05/428309205.db2.gz JNDCWAYUXJEHPT-ROUUACIJSA-N 1 3 315.461 2.553 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346826743 428334015 /nfs/dbraw/zinc/33/40/15/428334015.db2.gz MNIFVNMOTYQVDD-CGTJXYLNSA-N 1 3 310.445 2.944 20 0 DFADHO Cc1nn(C(C)(C)C)c(C)c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346832607 428338027 /nfs/dbraw/zinc/33/80/27/428338027.db2.gz LPPJGWASZSFCHY-XIRDDKMYSA-N 1 3 304.482 2.814 20 0 DFADHO Cc1ncsc1CN(C)C[C@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414736878 428391692 /nfs/dbraw/zinc/39/16/92/428391692.db2.gz GUIYRSKPEYKKQN-HZPDHXFCSA-N 1 3 324.538 2.579 20 0 DFADHO CCc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000378437787 428394533 /nfs/dbraw/zinc/39/45/33/428394533.db2.gz XYYYKCJRSBSJKM-HXUWFJFHSA-N 1 3 315.505 2.849 20 0 DFADHO CCc1ccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000378437787 428394541 /nfs/dbraw/zinc/39/45/41/428394541.db2.gz XYYYKCJRSBSJKM-HXUWFJFHSA-N 1 3 315.505 2.849 20 0 DFADHO C[C@@H](C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000414774061 428400238 /nfs/dbraw/zinc/40/02/38/428400238.db2.gz FDPLXHZQGAUMCE-GOEBONIOSA-N 1 3 306.425 2.617 20 0 DFADHO C[C@@H](C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000414774061 428400244 /nfs/dbraw/zinc/40/02/44/428400244.db2.gz FDPLXHZQGAUMCE-GOEBONIOSA-N 1 3 306.425 2.617 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cc(OC)cc3c2O[C@H](C)C3)CC1 ZINC000347005116 428404635 /nfs/dbraw/zinc/40/46/35/428404635.db2.gz BBHDBYGDUWWCOG-CQSZACIVSA-N 1 3 318.461 2.840 20 0 DFADHO Cc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1Cl ZINC000414782941 428405996 /nfs/dbraw/zinc/40/59/96/428405996.db2.gz YCPRSNLMOWSFEF-SJORKVTESA-N 1 3 308.853 2.977 20 0 DFADHO c1cc(N2CCCC2)ncc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785728 428406488 /nfs/dbraw/zinc/40/64/88/428406488.db2.gz TUTJEAGZCHCDRS-ZWKOTPCHSA-N 1 3 314.477 2.503 20 0 DFADHO C[C@H](CCc1ccccc1)C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414784107 428406630 /nfs/dbraw/zinc/40/66/30/428406630.db2.gz QUBZYKVLJLFSPL-MJGOQNOKSA-N 1 3 316.489 2.943 20 0 DFADHO C[C@H](CCc1ccccc1)C[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414784107 428406634 /nfs/dbraw/zinc/40/66/34/428406634.db2.gz QUBZYKVLJLFSPL-MJGOQNOKSA-N 1 3 316.489 2.943 20 0 DFADHO C[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414785430 428406691 /nfs/dbraw/zinc/40/66/91/428406691.db2.gz SRCYOHSVIBSTEQ-FUHWJXTLSA-N 1 3 302.462 2.553 20 0 DFADHO C[C@@H](Cc1ccccc1)C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414785430 428406696 /nfs/dbraw/zinc/40/66/96/428406696.db2.gz SRCYOHSVIBSTEQ-FUHWJXTLSA-N 1 3 302.462 2.553 20 0 DFADHO C[C@@H](CCc1ccccc1)C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414784103 428407085 /nfs/dbraw/zinc/40/70/85/428407085.db2.gz QUBZYKVLJLFSPL-HKUYNNGSSA-N 1 3 316.489 2.943 20 0 DFADHO C[C@@H](CCc1ccccc1)C[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414784103 428407091 /nfs/dbraw/zinc/40/70/91/428407091.db2.gz QUBZYKVLJLFSPL-HKUYNNGSSA-N 1 3 316.489 2.943 20 0 DFADHO CC(C)[C@H](N)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414790006 428408993 /nfs/dbraw/zinc/40/89/93/428408993.db2.gz GGGSJAXJFAPBEK-QGZVFWFLSA-N 1 3 309.885 2.877 20 0 DFADHO CC(C)[C@H]([NH3+])CNC1CCN(Cc2ccccc2Cl)CC1 ZINC000414790006 428409000 /nfs/dbraw/zinc/40/90/00/428409000.db2.gz GGGSJAXJFAPBEK-QGZVFWFLSA-N 1 3 309.885 2.877 20 0 DFADHO c1[nH]c(-c2ccccc2)nc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789271 428410817 /nfs/dbraw/zinc/41/08/17/428410817.db2.gz YHKNACVJYJHUHW-SJORKVTESA-N 1 3 310.445 2.898 20 0 DFADHO COc1ccc(OC)c(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414786696 428411274 /nfs/dbraw/zinc/41/12/74/428411274.db2.gz UTBATBKSSCSWEW-HUUCEWRRSA-N 1 3 304.434 2.525 20 0 DFADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C1CC1 ZINC000414792020 428414531 /nfs/dbraw/zinc/41/45/31/428414531.db2.gz BUVFQRKUMQLYOU-DYVFJYSZSA-N 1 3 303.450 2.854 20 0 DFADHO CC(C)CC[NH+](CCC(C)C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414664497 428367214 /nfs/dbraw/zinc/36/72/14/428367214.db2.gz CLFLKVRBXTXZAT-KRWDZBQOSA-N 1 3 311.514 2.578 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360617851 428371496 /nfs/dbraw/zinc/37/14/96/428371496.db2.gz HICPUPXGRHREMC-GOSISDBHSA-N 1 3 320.452 2.679 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cccc2[nH]ccc21 ZINC000378367798 428381021 /nfs/dbraw/zinc/38/10/21/428381021.db2.gz DYGBPWZUQLKWBT-LZQZEXGQSA-N 1 3 313.445 2.851 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cccc2[nH]ccc21 ZINC000378367799 428381396 /nfs/dbraw/zinc/38/13/96/428381396.db2.gz DYGBPWZUQLKWBT-MNEFBYGVSA-N 1 3 313.445 2.851 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414790843 428413673 /nfs/dbraw/zinc/41/36/73/428413673.db2.gz ALJZCJOGHUNDBC-DVOMOZLQSA-N 1 3 307.413 2.650 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414790843 428413680 /nfs/dbraw/zinc/41/36/80/428413680.db2.gz ALJZCJOGHUNDBC-DVOMOZLQSA-N 1 3 307.413 2.650 20 0 DFADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000371338103 428382005 /nfs/dbraw/zinc/38/20/05/428382005.db2.gz YOIURSVQTLQOSN-VXNCWWDNSA-N 1 3 307.526 2.959 20 0 DFADHO CCN(C[C@@H]1CC[N@H+](C[C@H](N)CC(C)C)C1)CC(F)(F)F ZINC000414702568 428382079 /nfs/dbraw/zinc/38/20/79/428382079.db2.gz IQTLRDVBZQYEJU-UONOGXRCSA-N 1 3 309.420 2.566 20 0 DFADHO CCN(C[C@@H]1CC[N@@H+](C[C@H](N)CC(C)C)C1)CC(F)(F)F ZINC000414702568 428382081 /nfs/dbraw/zinc/38/20/81/428382081.db2.gz IQTLRDVBZQYEJU-UONOGXRCSA-N 1 3 309.420 2.566 20 0 DFADHO C[C@@H]1C[C@H](CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414715348 428384911 /nfs/dbraw/zinc/38/49/11/428384911.db2.gz WINCYHSHUWGTQR-ADAWSYLGSA-N 1 3 306.425 2.976 20 0 DFADHO C[NH2+]CCCN[C@H](C)Cc1ccc(Br)cc1F ZINC000414858454 428436623 /nfs/dbraw/zinc/43/66/23/428436623.db2.gz JKSUMBYQOLFNGJ-SNVBAGLBSA-N 1 3 303.219 2.718 20 0 DFADHO CNCCC[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000414858454 428436627 /nfs/dbraw/zinc/43/66/27/428436627.db2.gz JKSUMBYQOLFNGJ-SNVBAGLBSA-N 1 3 303.219 2.718 20 0 DFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]3(F)CCNC3)cc2)C1 ZINC000372397155 428438043 /nfs/dbraw/zinc/43/80/43/428438043.db2.gz AQFCSSOWMRACEG-KSSFIOAISA-N 1 3 319.424 2.559 20 0 DFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]3(F)CCNC3)cc2)C1 ZINC000372397155 428438047 /nfs/dbraw/zinc/43/80/47/428438047.db2.gz AQFCSSOWMRACEG-KSSFIOAISA-N 1 3 319.424 2.559 20 0 DFADHO CSC1(C[NH2+]Cc2c(C)nc3ccccn32)CCN(C)CC1 ZINC000353233262 428441336 /nfs/dbraw/zinc/44/13/36/428441336.db2.gz WSPMIYOWXDSROQ-UHFFFAOYSA-N 1 3 318.490 2.560 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000360863040 428470370 /nfs/dbraw/zinc/47/03/70/428470370.db2.gz YQIQNLJNNWRWAO-MISYRCLQSA-N 1 3 315.505 2.971 20 0 DFADHO CC(C)N(C)CC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000357229657 428446030 /nfs/dbraw/zinc/44/60/30/428446030.db2.gz IHWHLZFJQONBFP-IEBWSBKVSA-N 1 3 303.494 2.827 20 0 DFADHO COc1cc(CN2CCC([C@@H](C)[NH3+])CC2)c(SC)cc1OC ZINC000347114512 428452008 /nfs/dbraw/zinc/45/20/08/428452008.db2.gz TXSDCETYIRMMSE-GFCCVEGCSA-N 1 3 324.490 2.985 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379655315 428452219 /nfs/dbraw/zinc/45/22/19/428452219.db2.gz LLCUFQLWCSCUJD-ZWKOTPCHSA-N 1 3 317.477 2.531 20 0 DFADHO COCCC[NH+]1CCC(N[C@@H]2CCc3c2cccc3OC)CC1 ZINC000360821944 428452217 /nfs/dbraw/zinc/45/22/17/428452217.db2.gz NTKDSGBMZVLEDB-GOSISDBHSA-N 1 3 318.461 2.773 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414902351 428452422 /nfs/dbraw/zinc/45/24/22/428452422.db2.gz HFHPHXAURHFPES-OLZOCXBDSA-N 1 3 309.841 2.565 20 0 DFADHO CC(C)c1ccc(NC(=O)C[C@H](C)NC[C@@H]2CC[NH2+]C2)cc1 ZINC000414902853 428452440 /nfs/dbraw/zinc/45/24/40/428452440.db2.gz HTENBXDRVQCEDG-LSDHHAIUSA-N 1 3 303.450 2.726 20 0 DFADHO C[C@@H](CC[NH2+]C[C@](C)(O)C(F)(F)F)N(C)Cc1ccccc1 ZINC000379656176 428453085 /nfs/dbraw/zinc/45/30/85/428453085.db2.gz OJBCLMKIFQUJRZ-ZFWWWQNUSA-N 1 3 318.383 2.800 20 0 DFADHO CC[C@H](C[NH+]1CCC(N(C)C[C@@H](C)O)CC1)c1ccccc1 ZINC000353260975 428453996 /nfs/dbraw/zinc/45/39/96/428453996.db2.gz PJRUGIHEYYRVRI-IAGOWNOFSA-N 1 3 304.478 2.957 20 0 DFADHO CC[C@@H](C[NH+]1CCC(N(C)C[C@@H](C)O)CC1)c1ccccc1 ZINC000353260989 428454417 /nfs/dbraw/zinc/45/44/17/428454417.db2.gz PJRUGIHEYYRVRI-SJORKVTESA-N 1 3 304.478 2.957 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@]2(C)CCCNC2)cc1OC ZINC000414918995 428456791 /nfs/dbraw/zinc/45/67/91/428456791.db2.gz VQYMIGZOORWDPV-RDTXWAMCSA-N 1 3 306.450 2.614 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000414918995 428456796 /nfs/dbraw/zinc/45/67/96/428456796.db2.gz VQYMIGZOORWDPV-RDTXWAMCSA-N 1 3 306.450 2.614 20 0 DFADHO CC1(C)CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2)c2ccccc21 ZINC000360834573 428456947 /nfs/dbraw/zinc/45/69/47/428456947.db2.gz JBCSYFRGSXSYCJ-MAUKXSAKSA-N 1 3 302.462 2.845 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C[C@@H]2C)c1C ZINC000414934542 428461926 /nfs/dbraw/zinc/46/19/26/428461926.db2.gz FDWRCTYUCVUSCX-DZKIICNBSA-N 1 3 303.450 2.608 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)c1C ZINC000414934542 428461930 /nfs/dbraw/zinc/46/19/30/428461930.db2.gz FDWRCTYUCVUSCX-DZKIICNBSA-N 1 3 303.450 2.608 20 0 DFADHO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)CN)o1 ZINC000414938316 428463246 /nfs/dbraw/zinc/46/32/46/428463246.db2.gz FDBUWKNHNPVTIP-ZDUSSCGKSA-N 1 3 310.401 2.878 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C[C@@H]2C)c1C ZINC000414934546 428463342 /nfs/dbraw/zinc/46/33/42/428463342.db2.gz FDWRCTYUCVUSCX-OFQRWUPVSA-N 1 3 303.450 2.608 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)c1C ZINC000414934546 428463349 /nfs/dbraw/zinc/46/33/49/428463349.db2.gz FDWRCTYUCVUSCX-OFQRWUPVSA-N 1 3 303.450 2.608 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414948167 428469269 /nfs/dbraw/zinc/46/92/69/428469269.db2.gz XWLAGHSOEUHHKC-LALPHHSUSA-N 1 3 309.841 2.645 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414948167 428469275 /nfs/dbraw/zinc/46/92/75/428469275.db2.gz XWLAGHSOEUHHKC-LALPHHSUSA-N 1 3 309.841 2.645 20 0 DFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000414799695 428416397 /nfs/dbraw/zinc/41/63/97/428416397.db2.gz KIPWAARHWRMLEL-GRDNDAEWSA-N 1 3 319.449 2.519 20 0 DFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414799695 428416403 /nfs/dbraw/zinc/41/64/03/428416403.db2.gz KIPWAARHWRMLEL-GRDNDAEWSA-N 1 3 319.449 2.519 20 0 DFADHO C[C@@H](Cc1ccc(Br)cc1F)N[C@H](C[NH3+])C1CC1 ZINC000414799846 428417087 /nfs/dbraw/zinc/41/70/87/428417087.db2.gz DZVKKRICHIKMKR-LKFCYVNXSA-N 1 3 315.230 2.846 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2CN)cc1OC ZINC000414805956 428417816 /nfs/dbraw/zinc/41/78/16/428417816.db2.gz PZXKBVKRMHGPMF-IMJJTQAJSA-N 1 3 306.450 2.742 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414811044 428418699 /nfs/dbraw/zinc/41/86/99/428418699.db2.gz VZFUKIZCTARTSI-BMFZPTHFSA-N 1 3 304.434 2.844 20 0 DFADHO CCCC[C@H](CN)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414807831 428418940 /nfs/dbraw/zinc/41/89/40/428418940.db2.gz DGLJCDXYJANSIH-LJQANCHMSA-N 1 3 321.484 2.940 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC(C)(C)CC(C)(C)C2)CC1 ZINC000342369622 428420981 /nfs/dbraw/zinc/42/09/81/428420981.db2.gz SXSYCPFZBHOASL-UHFFFAOYSA-N 1 3 323.525 2.734 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)Cc3cccc(Cl)c3)CC[C@H]21 ZINC000347045947 428422846 /nfs/dbraw/zinc/42/28/46/428422846.db2.gz GTVPQSVSPMSTRP-KBAYOESNSA-N 1 3 322.880 2.660 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)Cc3cccc(Cl)c3)CC[C@H]21 ZINC000347045947 428422850 /nfs/dbraw/zinc/42/28/50/428422850.db2.gz GTVPQSVSPMSTRP-KBAYOESNSA-N 1 3 322.880 2.660 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)Cc3cccc(Cl)c3)CC[C@H]21 ZINC000347045947 428422857 /nfs/dbraw/zinc/42/28/57/428422857.db2.gz GTVPQSVSPMSTRP-KBAYOESNSA-N 1 3 322.880 2.660 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)Cc3cccc(Cl)c3)CC[C@H]21 ZINC000347045947 428422861 /nfs/dbraw/zinc/42/28/61/428422861.db2.gz GTVPQSVSPMSTRP-KBAYOESNSA-N 1 3 322.880 2.660 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000347049363 428425472 /nfs/dbraw/zinc/42/54/72/428425472.db2.gz WMJYZRVHBFEGPK-WBVHZDCISA-N 1 3 319.493 2.881 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414826061 428425806 /nfs/dbraw/zinc/42/58/06/428425806.db2.gz ICCPLZRZFNTOLE-VPSFDDGASA-N 1 3 318.461 2.898 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414828750 428426542 /nfs/dbraw/zinc/42/65/42/428426542.db2.gz MOOMYAKRGLQUBC-KTFSGNIMSA-N 1 3 315.461 2.839 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414836999 428428865 /nfs/dbraw/zinc/42/88/65/428428865.db2.gz VHWIMURDDCHURF-KGLIPLIRSA-N 1 3 323.868 2.955 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCNC2)c(Cl)c1 ZINC000414836999 428428870 /nfs/dbraw/zinc/42/88/70/428428870.db2.gz VHWIMURDDCHURF-KGLIPLIRSA-N 1 3 323.868 2.955 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414844439 428429251 /nfs/dbraw/zinc/42/92/51/428429251.db2.gz RJDXRSUSSAOSSO-OLZOCXBDSA-N 1 3 311.857 2.811 20 0 DFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCCC2)cc1 ZINC000414844696 428430023 /nfs/dbraw/zinc/43/00/23/428430023.db2.gz QDGSWVUFTPZLJJ-AWEZNQCLSA-N 1 3 319.449 2.664 20 0 DFADHO COc1ccc(C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000414841967 428430186 /nfs/dbraw/zinc/43/01/86/428430186.db2.gz ZTUQOGILJIQCNP-NTQSIJHJSA-N 1 3 304.434 2.507 20 0 DFADHO C[C@H](N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000414847706 428431999 /nfs/dbraw/zinc/43/19/99/428431999.db2.gz FXZAFIFUGAEEOB-PBWTXFEYSA-N 1 3 301.478 2.800 20 0 DFADHO Cn1c(CNCCC[C@@H]2CCC[NH2+]2)nc2cc(Cl)ccc21 ZINC000414978557 428479447 /nfs/dbraw/zinc/47/94/47/428479447.db2.gz TUEHHHPJTTYMPC-CYBMUJFWSA-N 1 3 306.841 2.849 20 0 DFADHO Cn1c2cc(Cl)ccc2nc1CNC[C@H]1CCC[C@H]([NH3+])C1 ZINC000414998169 428486252 /nfs/dbraw/zinc/48/62/52/428486252.db2.gz IAFPZAUJAUTDRE-AAEUAGOBSA-N 1 3 306.841 2.834 20 0 DFADHO COCC(C)(C)C[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415011029 428487211 /nfs/dbraw/zinc/48/72/11/428487211.db2.gz VRFYZYWMYLXWDV-DOTOQJQBSA-N 1 3 308.441 2.781 20 0 DFADHO COc1ccc(CN[C@H](C)CCCC[NH3+])c(OC(F)F)c1 ZINC000415013861 428488746 /nfs/dbraw/zinc/48/87/46/428488746.db2.gz LIUBCMRBGNKOHV-LLVKDONJSA-N 1 3 302.365 2.904 20 0 DFADHO CC(C)C[C@@H](N[C@H](C)c1cccc(F)c1)C(=O)NCC[NH+](C)C ZINC000347193876 428488734 /nfs/dbraw/zinc/48/87/34/428488734.db2.gz JKUIMPXYDLZRNW-RHSMWYFYSA-N 1 3 323.456 2.569 20 0 DFADHO CCc1nn(C)c(CC)c1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347194259 428488768 /nfs/dbraw/zinc/48/87/68/428488768.db2.gz GQNRSGBCKIALFP-KRWDZBQOSA-N 1 3 304.482 2.509 20 0 DFADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000415012776 428489303 /nfs/dbraw/zinc/48/93/03/428489303.db2.gz JYPRCPIDJZBZRA-QWRGUYRKSA-N 1 3 312.339 2.716 20 0 DFADHO COc1ccc(Br)cc1CN[C@H](C)CCC[NH3+] ZINC000415021763 428491357 /nfs/dbraw/zinc/49/13/57/428491357.db2.gz KOERRFFAPHBWLN-SNVBAGLBSA-N 1 3 301.228 2.675 20 0 DFADHO C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CNCCCO1 ZINC000415030436 428493684 /nfs/dbraw/zinc/49/36/84/428493684.db2.gz CKFNMTPUIXVOGC-VXGBXAGGSA-N 1 3 302.871 2.691 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)N2CCNC(C)(C)C2)cc1)C(C)C ZINC000357353050 428495386 /nfs/dbraw/zinc/49/53/86/428495386.db2.gz WBKGLRZGHBEWOY-UHFFFAOYSA-N 1 3 317.477 2.741 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)N2CCNC(C)(C)C2)cc1)C(C)C ZINC000357353050 428495393 /nfs/dbraw/zinc/49/53/93/428495393.db2.gz WBKGLRZGHBEWOY-UHFFFAOYSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@@H]1C[N@@H+]([C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[C@@]1(C)CN ZINC000415057240 428503582 /nfs/dbraw/zinc/50/35/82/428503582.db2.gz PKTLMSKFYZUZEX-HNBVOPMISA-N 1 3 315.505 2.956 20 0 DFADHO C[C@@H]1C[N@H+]([C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[C@@]1(C)CN ZINC000415057240 428503587 /nfs/dbraw/zinc/50/35/87/428503587.db2.gz PKTLMSKFYZUZEX-HNBVOPMISA-N 1 3 315.505 2.956 20 0 DFADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000397349825 428508893 /nfs/dbraw/zinc/50/88/93/428508893.db2.gz HYYPDHZWVYYPMQ-RDBSUJKOSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1CN ZINC000397349825 428508896 /nfs/dbraw/zinc/50/88/96/428508896.db2.gz HYYPDHZWVYYPMQ-RDBSUJKOSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1CN ZINC000397349825 428508900 /nfs/dbraw/zinc/50/89/00/428508900.db2.gz HYYPDHZWVYYPMQ-RDBSUJKOSA-N 1 3 323.868 2.974 20 0 DFADHO CC(C)C[C@H](N)C[NH2+]CCOc1cccc(Br)c1 ZINC000415075825 428510035 /nfs/dbraw/zinc/51/00/35/428510035.db2.gz FPLMYXQUAUFKHO-ZDUSSCGKSA-N 1 3 315.255 2.791 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H]1C ZINC000397493312 428512248 /nfs/dbraw/zinc/51/22/48/428512248.db2.gz NBLYVDNRUPRSQS-NUJGCVRESA-N 1 3 302.462 2.648 20 0 DFADHO OC1(C[NH2+]C[C@@H]2CC=CCC2)CCN(Cc2ccccc2)CC1 ZINC000397492750 428512459 /nfs/dbraw/zinc/51/24/59/428512459.db2.gz BBGRGPIMWMKKLG-GOSISDBHSA-N 1 3 314.473 2.959 20 0 DFADHO CC(C)[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000415079425 428513126 /nfs/dbraw/zinc/51/31/26/428513126.db2.gz KCOZCWLHVDJNMQ-YJBOKZPZSA-N 1 3 304.434 2.887 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000415097261 428518361 /nfs/dbraw/zinc/51/83/61/428518361.db2.gz CMDVZFFWBFEGPJ-NZSAHSFTSA-N 1 3 319.468 2.898 20 0 DFADHO C[C@H]1CC[C@@H]([NH2+]CC2=CCN(C)CC2)CN1C(=O)OC(C)(C)C ZINC000399050125 428531917 /nfs/dbraw/zinc/53/19/17/428531917.db2.gz UTIOBKHBNLDFEB-GOEBONIOSA-N 1 3 323.481 2.626 20 0 DFADHO Cc1nn(C)c(C)c1C[C@H](C)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415113810 428524762 /nfs/dbraw/zinc/52/47/62/428524762.db2.gz SQRVFNXRVMCMFX-GRDNDAEWSA-N 1 3 306.498 2.868 20 0 DFADHO COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H](C)[C@H](CN)C2)cc1F ZINC000415120006 428526563 /nfs/dbraw/zinc/52/65/63/428526563.db2.gz FQQDLQKCRMHQTP-OFQRWUPVSA-N 1 3 308.441 2.930 20 0 DFADHO COc1ccc(C[C@H](C)C[N@H+]2CC[C@H](C)[C@H](CN)C2)cc1F ZINC000415120006 428526567 /nfs/dbraw/zinc/52/65/67/428526567.db2.gz FQQDLQKCRMHQTP-OFQRWUPVSA-N 1 3 308.441 2.930 20 0 DFADHO COc1ccc(C[C@H](C)CN2CC[C@H](C)[C@H](C[NH3+])C2)cc1F ZINC000415120006 428526573 /nfs/dbraw/zinc/52/65/73/428526573.db2.gz FQQDLQKCRMHQTP-OFQRWUPVSA-N 1 3 308.441 2.930 20 0 DFADHO CCOc1ccccc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415122003 428529612 /nfs/dbraw/zinc/52/96/12/428529612.db2.gz JBGCYUSNIRUXAT-PKOBYXMFSA-N 1 3 318.461 2.804 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390722034 428473480 /nfs/dbraw/zinc/47/34/80/428473480.db2.gz ZNCRZESJTLLCJC-DZJYIKFMSA-N 1 3 313.489 2.899 20 0 DFADHO COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCNCC2(C)C)cc1F ZINC000414974578 428476915 /nfs/dbraw/zinc/47/69/15/428476915.db2.gz NRZBYBZUIOCPDG-CXAGYDPISA-N 1 3 308.441 2.991 20 0 DFADHO COc1cc2c(c(CNCCC[C@H]3CCC[NH2+]3)c1)O[C@H](C)C2 ZINC000414976362 428478037 /nfs/dbraw/zinc/47/80/37/428478037.db2.gz PRCYMJQPRUOOTJ-CJNGLKHVSA-N 1 3 304.434 2.640 20 0 DFADHO COCC1(CNCc2ccc(Cl)cc2F)CC[NH2+]CC1 ZINC000414974066 428478357 /nfs/dbraw/zinc/47/83/57/428478357.db2.gz LSQLNUPXUPECQX-UHFFFAOYSA-N 1 3 300.805 2.585 20 0 DFADHO CCc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415139418 428534327 /nfs/dbraw/zinc/53/43/27/428534327.db2.gz ZQJIREZIGSCFBR-RTBURBONSA-N 1 3 302.462 2.967 20 0 DFADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(=O)[nH]n1 ZINC000353439215 428538021 /nfs/dbraw/zinc/53/80/21/428538021.db2.gz IFWIYRYNNKXWKM-ZNMIVQPWSA-N 1 3 306.454 2.591 20 0 DFADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(=O)[nH]n1 ZINC000353439215 428538028 /nfs/dbraw/zinc/53/80/28/428538028.db2.gz IFWIYRYNNKXWKM-ZNMIVQPWSA-N 1 3 306.454 2.591 20 0 DFADHO CN(CCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353456686 428546735 /nfs/dbraw/zinc/54/67/35/428546735.db2.gz WFTAPSKLBFCPSO-XUVXKRRUSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C)CN(C)C ZINC000400449740 428547309 /nfs/dbraw/zinc/54/73/09/428547309.db2.gz QNCQAYULRLBABF-KFWWJZLASA-N 1 3 313.486 2.562 20 0 DFADHO C[C@H](CN[C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C)C[NH+](C)C ZINC000400449740 428547312 /nfs/dbraw/zinc/54/73/12/428547312.db2.gz QNCQAYULRLBABF-KFWWJZLASA-N 1 3 313.486 2.562 20 0 DFADHO Brc1ccccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400979152 428550442 /nfs/dbraw/zinc/55/04/42/428550442.db2.gz HTDCQMVOJHAYEY-MRVWCRGKSA-N 1 3 309.251 2.927 20 0 DFADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC000401838024 428559267 /nfs/dbraw/zinc/55/92/67/428559267.db2.gz PLYMDEHWKHAHQP-VAYAGCRFSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000401838024 428559269 /nfs/dbraw/zinc/55/92/69/428559269.db2.gz PLYMDEHWKHAHQP-VAYAGCRFSA-N 1 3 300.446 2.949 20 0 DFADHO Cc1cncc(CC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000402708797 428560340 /nfs/dbraw/zinc/56/03/40/428560340.db2.gz RJMJHNKAOUZYTJ-HKUYNNGSSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cncc(CCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000402708797 428560342 /nfs/dbraw/zinc/56/03/42/428560342.db2.gz RJMJHNKAOUZYTJ-HKUYNNGSSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cncc(CCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000402708797 428560353 /nfs/dbraw/zinc/56/03/53/428560353.db2.gz RJMJHNKAOUZYTJ-HKUYNNGSSA-N 1 3 324.472 2.828 20 0 DFADHO COc1ccc(CN2CCC(C[NH2+]C3CC(OC)C3)CC2)cc1 ZINC000347358230 428564425 /nfs/dbraw/zinc/56/44/25/428564425.db2.gz GIPCLVBWJADPHX-UHFFFAOYSA-N 1 3 318.461 2.674 20 0 DFADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)[C@@H]1CCN ZINC000404311289 428565763 /nfs/dbraw/zinc/56/57/63/428565763.db2.gz WPLXBCUCUYVLEB-CZUORRHYSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)[C@@H]1CCN ZINC000404311289 428565767 /nfs/dbraw/zinc/56/57/67/428565767.db2.gz WPLXBCUCUYVLEB-CZUORRHYSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@@H]1CCCN(CCC(=O)Nc2cccc(F)c2)[C@@H]1CC[NH3+] ZINC000404311289 428565770 /nfs/dbraw/zinc/56/57/70/428565770.db2.gz WPLXBCUCUYVLEB-CZUORRHYSA-N 1 3 307.413 2.604 20 0 DFADHO Cc1cc(C)cc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000343737668 428571308 /nfs/dbraw/zinc/57/13/08/428571308.db2.gz RNBGPXHLVXFPRC-GOSISDBHSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1cc(C)cc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000343737668 428571312 /nfs/dbraw/zinc/57/13/12/428571312.db2.gz RNBGPXHLVXFPRC-GOSISDBHSA-N 1 3 315.505 2.904 20 0 DFADHO COCCNc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000353513121 428572441 /nfs/dbraw/zinc/57/24/41/428572441.db2.gz FBEQMRSVUYKSTK-GUDVDZBRSA-N 1 3 317.477 2.707 20 0 DFADHO COCCNc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000353513121 428572443 /nfs/dbraw/zinc/57/24/43/428572443.db2.gz FBEQMRSVUYKSTK-GUDVDZBRSA-N 1 3 317.477 2.707 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)N(C)Cc1ccccc1 ZINC000353518011 428572945 /nfs/dbraw/zinc/57/29/45/428572945.db2.gz KAUQKPVGJZXJIS-MDNKFWRPSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)N(C)Cc1ccccc1 ZINC000353518011 428572949 /nfs/dbraw/zinc/57/29/49/428572949.db2.gz KAUQKPVGJZXJIS-MDNKFWRPSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)N(C)Cc1ccccc1 ZINC000353518011 428572954 /nfs/dbraw/zinc/57/29/54/428572954.db2.gz KAUQKPVGJZXJIS-MDNKFWRPSA-N 1 3 315.505 2.969 20 0 DFADHO Cc1nccn1CCN1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000347585554 428613668 /nfs/dbraw/zinc/61/36/68/428613668.db2.gz HMROVDXVJMTTLI-SJORKVTESA-N 1 3 312.461 2.786 20 0 DFADHO Cc1nccn1CCN1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000347585554 428613675 /nfs/dbraw/zinc/61/36/75/428613675.db2.gz HMROVDXVJMTTLI-SJORKVTESA-N 1 3 312.461 2.786 20 0 DFADHO Cc1nccn1CC[N@H+]1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347585554 428613679 /nfs/dbraw/zinc/61/36/79/428613679.db2.gz HMROVDXVJMTTLI-SJORKVTESA-N 1 3 312.461 2.786 20 0 DFADHO Cc1nccn1CC[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347585554 428613684 /nfs/dbraw/zinc/61/36/84/428613684.db2.gz HMROVDXVJMTTLI-SJORKVTESA-N 1 3 312.461 2.786 20 0 DFADHO C[NH+](C)CCOCCN[C@@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000353595355 428614267 /nfs/dbraw/zinc/61/42/67/428614267.db2.gz JQZZRRGWLQWWJQ-MSOLQXFVSA-N 1 3 324.440 2.604 20 0 DFADHO Cc1nccn1CCN1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000347585522 428614834 /nfs/dbraw/zinc/61/48/34/428614834.db2.gz HMROVDXVJMTTLI-DLBZAZTESA-N 1 3 312.461 2.786 20 0 DFADHO Cc1nccn1CCN1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000347585522 428614835 /nfs/dbraw/zinc/61/48/35/428614835.db2.gz HMROVDXVJMTTLI-DLBZAZTESA-N 1 3 312.461 2.786 20 0 DFADHO Cc1nccn1CC[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347585522 428614839 /nfs/dbraw/zinc/61/48/39/428614839.db2.gz HMROVDXVJMTTLI-DLBZAZTESA-N 1 3 312.461 2.786 20 0 DFADHO Cc1nccn1CC[N@@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347585522 428614844 /nfs/dbraw/zinc/61/48/44/428614844.db2.gz HMROVDXVJMTTLI-DLBZAZTESA-N 1 3 312.461 2.786 20 0 DFADHO CNCc1ccccc1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000415906789 428621422 /nfs/dbraw/zinc/62/14/22/428621422.db2.gz YSOXOZHJJXTANA-UHFFFAOYSA-N 1 3 318.465 2.794 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000353623173 428629069 /nfs/dbraw/zinc/62/90/69/428629069.db2.gz ODPVZIIVHPPAAA-CGTJXYLNSA-N 1 3 324.472 2.767 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000353623173 428629076 /nfs/dbraw/zinc/62/90/76/428629076.db2.gz ODPVZIIVHPPAAA-CGTJXYLNSA-N 1 3 324.472 2.767 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CC2CCN(C)CC2)C1 ZINC000347521247 428595470 /nfs/dbraw/zinc/59/54/70/428595470.db2.gz LGTBGLYIHVEYLQ-IRXDYDNUSA-N 1 3 323.525 2.593 20 0 DFADHO CCc1cccc(F)c1CN1CCC(OCC[NH+](C)C)CC1 ZINC000353652726 428641069 /nfs/dbraw/zinc/64/10/69/428641069.db2.gz FZYBIJBJUXRZTH-UHFFFAOYSA-N 1 3 308.441 2.931 20 0 DFADHO CC[C@@]1(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CC[NH2+]C1 ZINC000362158194 428642792 /nfs/dbraw/zinc/64/27/92/428642792.db2.gz CXAUARVAYOHDKA-HNAYVOBHSA-N 1 3 317.477 2.622 20 0 DFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415994200 428643292 /nfs/dbraw/zinc/64/32/92/428643292.db2.gz HGLIMFYEAGCGGM-QGZVFWFLSA-N 1 3 316.449 2.628 20 0 DFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415994200 428643295 /nfs/dbraw/zinc/64/32/95/428643295.db2.gz HGLIMFYEAGCGGM-QGZVFWFLSA-N 1 3 316.449 2.628 20 0 DFADHO CC(C)OC(=O)C[C@H]1CCC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000362194713 428656811 /nfs/dbraw/zinc/65/68/11/428656811.db2.gz KBAJWKWKMDVAOD-IAGOWNOFSA-N 1 3 310.482 2.915 20 0 DFADHO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000362194713 428656814 /nfs/dbraw/zinc/65/68/14/428656814.db2.gz KBAJWKWKMDVAOD-IAGOWNOFSA-N 1 3 310.482 2.915 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)[C@H](CN)c2ccc(F)cc2)c1 ZINC000358743645 428653136 /nfs/dbraw/zinc/65/31/36/428653136.db2.gz LXTNLIICYWBXCW-QGZVFWFLSA-N 1 3 315.392 2.616 20 0 DFADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)c(OC)co1 ZINC000348317372 428706464 /nfs/dbraw/zinc/70/64/64/428706464.db2.gz IGNALVRNRBHVHK-ZBFHGGJFSA-N 1 3 322.449 2.639 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](CO)c1ccccc1Cl ZINC000348383607 428724781 /nfs/dbraw/zinc/72/47/81/428724781.db2.gz DPDBMTQPTKYBLP-VMUDFCTBSA-N 1 3 310.869 2.734 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](CO)c1ccccc1Cl ZINC000348383607 428724783 /nfs/dbraw/zinc/72/47/83/428724783.db2.gz DPDBMTQPTKYBLP-VMUDFCTBSA-N 1 3 310.869 2.734 20 0 DFADHO C[C@H](CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000374420423 428679140 /nfs/dbraw/zinc/67/91/40/428679140.db2.gz LIKWEUJURPMMCN-NXWXRZEISA-N 1 3 302.462 2.974 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2cc3cc(F)ccc3o2)CC1 ZINC000344641845 428685912 /nfs/dbraw/zinc/68/59/12/428685912.db2.gz OVXIRXYCHLQDNB-UHFFFAOYSA-N 1 3 320.408 2.897 20 0 DFADHO Cc1cc(NC[C@]2([NH+](C)C)CCSC2)c2ccccc2n1 ZINC000358991682 428762818 /nfs/dbraw/zinc/76/28/18/428762818.db2.gz VDFDXBZQBKGBFI-QGZVFWFLSA-N 1 3 301.459 2.814 20 0 DFADHO C[N@H+]1CC=C(CNCc2ccccc2OCC(F)(F)F)CC1 ZINC000345176738 428783979 /nfs/dbraw/zinc/78/39/79/428783979.db2.gz RETPPTHETZODQA-UHFFFAOYSA-N 1 3 314.351 2.979 20 0 DFADHO C[N@@H+]1CC=C(CNCc2ccccc2OCC(F)(F)F)CC1 ZINC000345176738 428783985 /nfs/dbraw/zinc/78/39/85/428783985.db2.gz RETPPTHETZODQA-UHFFFAOYSA-N 1 3 314.351 2.979 20 0 DFADHO C[C@@H]1CN(CCSC(C)(C)C)CCN1C1CC[NH+](C)CC1 ZINC000374775212 428749890 /nfs/dbraw/zinc/74/98/90/428749890.db2.gz JJPYPZDAHQFUEZ-OAHLLOKOSA-N 1 3 313.555 2.618 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2sc(C)nc2C)C1 ZINC000354078469 428850385 /nfs/dbraw/zinc/85/03/85/428850385.db2.gz SBXVPZWNHCXCFV-OAHLLOKOSA-N 1 3 311.495 2.693 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000353978312 428801629 /nfs/dbraw/zinc/80/16/29/428801629.db2.gz KEDDITWQOUTXCZ-XYJFISCASA-N 1 3 320.477 2.950 20 0 DFADHO CN1CCC(N2CCC([NH2+]C3CCC4(CC4)CC3)CC2)CC1 ZINC000362922696 428810196 /nfs/dbraw/zinc/81/01/96/428810196.db2.gz OGOUTBPORJXSKV-UHFFFAOYSA-N 1 3 305.510 2.857 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1cccc(OCCN(C)C)c1 ZINC000348691346 428813356 /nfs/dbraw/zinc/81/33/56/428813356.db2.gz CFPHXZFUGRCQLR-ZYSHUDEJSA-N 1 3 320.477 2.971 20 0 DFADHO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000375171239 428816106 /nfs/dbraw/zinc/81/61/06/428816106.db2.gz NMCVMRQBPWRWPH-DLBZAZTESA-N 1 3 321.465 2.757 20 0 DFADHO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000375171239 428816111 /nfs/dbraw/zinc/81/61/11/428816111.db2.gz NMCVMRQBPWRWPH-DLBZAZTESA-N 1 3 321.465 2.757 20 0 DFADHO Cc1ccsc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000354025399 428828108 /nfs/dbraw/zinc/82/81/08/428828108.db2.gz CYQYTDLPOZCZBW-CVEARBPZSA-N 1 3 307.507 2.514 20 0 DFADHO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000411655145 428834365 /nfs/dbraw/zinc/83/43/65/428834365.db2.gz IRJNUZVFKSSLAE-LPHOPBHVSA-N 1 3 302.462 2.875 20 0 DFADHO C[C@H]1[C@H](CO)CC[N@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000411655145 428834372 /nfs/dbraw/zinc/83/43/72/428834372.db2.gz IRJNUZVFKSSLAE-LPHOPBHVSA-N 1 3 302.462 2.875 20 0 DFADHO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CCc2cncs2)C1 ZINC000411689972 428842721 /nfs/dbraw/zinc/84/27/21/428842721.db2.gz OEXVTNHNNBQPSP-INIZCTEOSA-N 1 3 316.474 2.535 20 0 DFADHO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CCc2cncs2)C1 ZINC000411689972 428842726 /nfs/dbraw/zinc/84/27/26/428842726.db2.gz OEXVTNHNNBQPSP-INIZCTEOSA-N 1 3 316.474 2.535 20 0 DFADHO CCc1ccc(CN(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)o1 ZINC000349063550 428911874 /nfs/dbraw/zinc/91/18/74/428911874.db2.gz QFEPPNUWWJABHP-INIZCTEOSA-N 1 3 307.482 2.690 20 0 DFADHO CCc1ccc(CN(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)o1 ZINC000349063550 428911879 /nfs/dbraw/zinc/91/18/79/428911879.db2.gz QFEPPNUWWJABHP-INIZCTEOSA-N 1 3 307.482 2.690 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](c1ccc(F)cn1)C(C)C ZINC000354085614 428856150 /nfs/dbraw/zinc/85/61/50/428856150.db2.gz JTJXCXXPOWXDES-NVXWUHKLSA-N 1 3 311.445 2.864 20 0 DFADHO CCN(CCC1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000359212699 428866671 /nfs/dbraw/zinc/86/66/71/428866671.db2.gz DZUHXNWSQVRSBL-SFHVURJKSA-N 1 3 315.461 2.504 20 0 DFADHO COC1(CNC2CC[NH+](C3CCC(C)CC3)CC2)CCOCC1 ZINC000375442007 428886557 /nfs/dbraw/zinc/88/65/57/428886557.db2.gz YKVRPQAHFCYMDT-UHFFFAOYSA-N 1 3 324.509 2.815 20 0 DFADHO COC1(C[NH2+]C2CCN(C3CCC(C)CC3)CC2)CCOCC1 ZINC000375442007 428886560 /nfs/dbraw/zinc/88/65/60/428886560.db2.gz YKVRPQAHFCYMDT-UHFFFAOYSA-N 1 3 324.509 2.815 20 0 DFADHO C[N@H+](C[C@H](O)CN1C[C@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984833 428902809 /nfs/dbraw/zinc/90/28/09/428902809.db2.gz NGCDORXRBQWCIQ-RBUKOAKNSA-N 1 3 314.473 2.711 20 0 DFADHO C[N@@H+](C[C@H](O)CN1C[C@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984833 428902812 /nfs/dbraw/zinc/90/28/12/428902812.db2.gz NGCDORXRBQWCIQ-RBUKOAKNSA-N 1 3 314.473 2.711 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(Cl)o1 ZINC000349077894 428914259 /nfs/dbraw/zinc/91/42/59/428914259.db2.gz QPBXBXFGIJSGIG-CQSZACIVSA-N 1 3 313.873 2.781 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(Cl)o1 ZINC000349077894 428914264 /nfs/dbraw/zinc/91/42/64/428914264.db2.gz QPBXBXFGIJSGIG-CQSZACIVSA-N 1 3 313.873 2.781 20 0 DFADHO Cc1cc([C@H]([NH2+]CC2(O)CCN(C)CC2)C2CC2)ccc1F ZINC000359323613 428921041 /nfs/dbraw/zinc/92/10/41/428921041.db2.gz PQBCGTXLFKGZSI-QGZVFWFLSA-N 1 3 306.425 2.632 20 0 DFADHO c1ccc(C[N@@H+]2CCC3(C2)CCN([C@@H]2CCOC2)CC3)cc1 ZINC000375674162 428940950 /nfs/dbraw/zinc/94/09/50/428940950.db2.gz SEVFXFFBWUWXKU-GOSISDBHSA-N 1 3 300.446 2.763 20 0 DFADHO c1ccc(C[N@H+]2CCC3(C2)CCN([C@@H]2CCOC2)CC3)cc1 ZINC000375674162 428940954 /nfs/dbraw/zinc/94/09/54/428940954.db2.gz SEVFXFFBWUWXKU-GOSISDBHSA-N 1 3 300.446 2.763 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CCCCF)CC2)C[C@@H](C)O1 ZINC000375715081 428950781 /nfs/dbraw/zinc/95/07/81/428950781.db2.gz AOWIUBVPIIBYNI-HZPDHXFCSA-N 1 3 300.462 2.947 20 0 DFADHO C[C@@H]1C[N@H+](CCCN2CCCCC2)C[C@H]1C(=O)OC(C)(C)C ZINC000412093844 428953774 /nfs/dbraw/zinc/95/37/74/428953774.db2.gz PAXCEXMDMQIAAO-HZPDHXFCSA-N 1 3 310.482 2.772 20 0 DFADHO C[C@@H]1C[N@@H+](CCCN2CCCCC2)C[C@H]1C(=O)OC(C)(C)C ZINC000412093844 428953777 /nfs/dbraw/zinc/95/37/77/428953777.db2.gz PAXCEXMDMQIAAO-HZPDHXFCSA-N 1 3 310.482 2.772 20 0 DFADHO [NH3+]CC1(CC(=O)Nc2cccc3c2CNCC3)CCCCC1 ZINC000375936746 429021433 /nfs/dbraw/zinc/02/14/33/429021433.db2.gz ZWPUJRSYQQVYGT-UHFFFAOYSA-N 1 3 301.434 2.570 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000355113229 429030660 /nfs/dbraw/zinc/03/06/60/429030660.db2.gz FISVDOLCEUGDEL-SJORKVTESA-N 1 3 311.514 2.780 20 0 DFADHO C[N@@H+]1CC[C@H](NCC2([C@H](O)c3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000375802912 428978730 /nfs/dbraw/zinc/97/87/30/428978730.db2.gz XTWQZWVKUIVAIL-YDZRNGNQSA-N 1 3 314.473 2.963 20 0 DFADHO C[N@H+]1CC[C@H](NCC2([C@H](O)c3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000375802912 428978734 /nfs/dbraw/zinc/97/87/34/428978734.db2.gz XTWQZWVKUIVAIL-YDZRNGNQSA-N 1 3 314.473 2.963 20 0 DFADHO C[NH+]1CCC(CCN[C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000349453486 428990545 /nfs/dbraw/zinc/99/05/45/428990545.db2.gz OJUFEYGRLBBDHD-IBGZPJMESA-N 1 3 310.445 2.888 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000423657429 428991065 /nfs/dbraw/zinc/99/10/65/428991065.db2.gz WAAWMPPQEUBICC-OAHLLOKOSA-N 1 3 319.424 2.708 20 0 DFADHO CCOC(=O)C1(C)CCC([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000354513308 428994612 /nfs/dbraw/zinc/99/46/12/428994612.db2.gz PNYXLKREVNTQDE-NDUQDZPOSA-N 1 3 310.482 2.961 20 0 DFADHO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000375855238 428998601 /nfs/dbraw/zinc/99/86/01/428998601.db2.gz ZSZVNAMDGWPUFD-KZNAEPCWSA-N 1 3 316.493 2.890 20 0 DFADHO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000375855238 428998607 /nfs/dbraw/zinc/99/86/07/428998607.db2.gz ZSZVNAMDGWPUFD-KZNAEPCWSA-N 1 3 316.493 2.890 20 0 DFADHO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cn1 ZINC000375855238 428998613 /nfs/dbraw/zinc/99/86/13/428998613.db2.gz ZSZVNAMDGWPUFD-KZNAEPCWSA-N 1 3 316.493 2.890 20 0 DFADHO C[NH+](C)Cc1ccc(CNC(=O)[C@@H](N)CC2CCCCC2)cc1 ZINC000423717685 429002865 /nfs/dbraw/zinc/00/28/65/429002865.db2.gz AOOJZQICRYLSKC-SFHVURJKSA-N 1 3 317.477 2.662 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000423749575 429009520 /nfs/dbraw/zinc/00/95/20/429009520.db2.gz WGGALAITJKWZDK-CRAIPNDOSA-N 1 3 319.493 2.716 20 0 DFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000423761365 429011282 /nfs/dbraw/zinc/01/12/82/429011282.db2.gz OLUPTXUQRQLIKL-DAYGRLMNSA-N 1 3 317.477 2.511 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)c1ccc(I)cc1)[C@H](C)N ZINC000423450430 429089112 /nfs/dbraw/zinc/08/91/12/429089112.db2.gz SXIQKMLQLLGRPY-AEJSXWLSSA-N 1 3 318.202 2.678 20 0 DFADHO C[C@H](Cc1ccc(F)cc1Br)N[C@@H](C)[C@H](C)[NH3+] ZINC000423464222 429092601 /nfs/dbraw/zinc/09/26/01/429092601.db2.gz LYDQKCJNZCBSMR-UTLUCORTSA-N 1 3 303.219 2.845 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000423474423 429093780 /nfs/dbraw/zinc/09/37/80/429093780.db2.gz OUKGMIJKIPXXHD-LKCYJCQHSA-N 1 3 320.452 2.924 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](CC(C)(C)C)C2)CC1 ZINC000452081157 429051314 /nfs/dbraw/zinc/05/13/14/429051314.db2.gz PWCXFMDHAOCLJJ-INIZCTEOSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@@H]([NH3+])CN[C@H]1CCc2cc(Br)ccc2C1 ZINC000423284118 429057488 /nfs/dbraw/zinc/05/74/88/429057488.db2.gz XTHNUNHCDILJBT-GJZGRUSLSA-N 1 3 311.267 2.879 20 0 DFADHO CCC(N)(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1OC ZINC000423289755 429058094 /nfs/dbraw/zinc/05/80/94/429058094.db2.gz YCZDQRLTEIDOGG-ZDUSSCGKSA-N 1 3 307.438 2.519 20 0 DFADHO CCC(N)(CC)C[NH2+][C@H](C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423288608 429058342 /nfs/dbraw/zinc/05/83/42/429058342.db2.gz TYKSAVYLFSMVAE-AEFFLSMTSA-N 1 3 319.493 2.556 20 0 DFADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(I)cc1 ZINC000423303378 429059482 /nfs/dbraw/zinc/05/94/82/429059482.db2.gz WYVZRXWAIWSNEZ-ZJUUUORDSA-N 1 3 318.202 2.537 20 0 DFADHO CCc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])N(C)C)cc1 ZINC000423310832 429060962 /nfs/dbraw/zinc/06/09/62/429060962.db2.gz SIIAXYGSFZUCHM-WBAXXEDZSA-N 1 3 319.493 2.587 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccccc2CN(C)C)cc1 ZINC000423310557 429061236 /nfs/dbraw/zinc/06/12/36/429061236.db2.gz NVVYQJLPGRHVLR-CQSZACIVSA-N 1 3 311.429 2.698 20 0 DFADHO N[C@@H](C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)C1CC1 ZINC000423311566 429062922 /nfs/dbraw/zinc/06/29/22/429062922.db2.gz BZWNQOWQVQAVNQ-KBPBESRZSA-N 1 3 300.324 2.899 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423328648 429066211 /nfs/dbraw/zinc/06/62/11/429066211.db2.gz OAWGXCHNBLPIND-ZDUSSCGKSA-N 1 3 304.438 2.749 20 0 DFADHO C[C@@H](Cc1ccc(F)cc1Br)NC[C@@H]1CC[NH2+]C1 ZINC000423345966 429069455 /nfs/dbraw/zinc/06/94/55/429069455.db2.gz PHAZWQZSUBVJMT-WDEREUQCSA-N 1 3 315.230 2.718 20 0 DFADHO COc1ccc([C@H](C)NCCCC[NH3+])c(Br)c1 ZINC000423342620 429069833 /nfs/dbraw/zinc/06/98/33/429069833.db2.gz ZBYZKBUEEOJISJ-JTQLQIEISA-N 1 3 301.228 2.847 20 0 DFADHO C[NH+](C)CC1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423344314 429070025 /nfs/dbraw/zinc/07/00/25/429070025.db2.gz XPJOTECUDPDUGX-QGZVFWFLSA-N 1 3 317.477 2.513 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000423344014 429070298 /nfs/dbraw/zinc/07/02/98/429070298.db2.gz DXVZPAMGXMULTM-QAPCUYQASA-N 1 3 315.461 2.797 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1 ZINC000423365773 429075570 /nfs/dbraw/zinc/07/55/70/429075570.db2.gz PSGASNYWUBHJFV-ILXRZTDVSA-N 1 3 303.450 2.557 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423383173 429076317 /nfs/dbraw/zinc/07/63/17/429076317.db2.gz GXPXLNBIJXPRQF-IAGOWNOFSA-N 1 3 317.477 2.655 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423383173 429076320 /nfs/dbraw/zinc/07/63/20/429076320.db2.gz GXPXLNBIJXPRQF-IAGOWNOFSA-N 1 3 317.477 2.655 20 0 DFADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423382136 429076482 /nfs/dbraw/zinc/07/64/82/429076482.db2.gz DGHKTKYIETUFPB-PVXIVEMSSA-N 1 3 323.278 2.894 20 0 DFADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CCc2cccc(Br)c2C1 ZINC000423382136 429076485 /nfs/dbraw/zinc/07/64/85/429076485.db2.gz DGHKTKYIETUFPB-PVXIVEMSSA-N 1 3 323.278 2.894 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423383172 429076864 /nfs/dbraw/zinc/07/68/64/429076864.db2.gz GXPXLNBIJXPRQF-DLBZAZTESA-N 1 3 317.477 2.655 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423383172 429076868 /nfs/dbraw/zinc/07/68/68/429076868.db2.gz GXPXLNBIJXPRQF-DLBZAZTESA-N 1 3 317.477 2.655 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCN1 ZINC000423380808 429076891 /nfs/dbraw/zinc/07/68/91/429076891.db2.gz OCHLIODLSFJKKL-WFASDCNBSA-N 1 3 309.404 2.664 20 0 DFADHO CC[N@H+](CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1)C(C)C ZINC000423383783 429076965 /nfs/dbraw/zinc/07/69/65/429076965.db2.gz FFNBOWHXCKJVIB-INIZCTEOSA-N 1 3 305.466 2.559 20 0 DFADHO CC[N@@H+](CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1)C(C)C ZINC000423383783 429076970 /nfs/dbraw/zinc/07/69/70/429076970.db2.gz FFNBOWHXCKJVIB-INIZCTEOSA-N 1 3 305.466 2.559 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000423379320 429077126 /nfs/dbraw/zinc/07/71/26/429077126.db2.gz XDDDUQAMXLOADM-GOSISDBHSA-N 1 3 321.509 2.761 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000423379320 429077133 /nfs/dbraw/zinc/07/71/33/429077133.db2.gz XDDDUQAMXLOADM-GOSISDBHSA-N 1 3 321.509 2.761 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423382132 429077142 /nfs/dbraw/zinc/07/71/42/429077142.db2.gz DGHKTKYIETUFPB-FFSVYQOJSA-N 1 3 323.278 2.894 20 0 DFADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCc2cccc(Br)c2C1 ZINC000423382132 429077147 /nfs/dbraw/zinc/07/71/47/429077147.db2.gz DGHKTKYIETUFPB-FFSVYQOJSA-N 1 3 323.278 2.894 20 0 DFADHO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCN1 ZINC000423380807 429077262 /nfs/dbraw/zinc/07/72/62/429077262.db2.gz OCHLIODLSFJKKL-SWLSCSKDSA-N 1 3 309.404 2.664 20 0 DFADHO COCC1(CN[C@@H](C)c2ccc(OC)cc2F)CC[NH2+]CC1 ZINC000423380510 429077337 /nfs/dbraw/zinc/07/73/37/429077337.db2.gz DTFLJVZZQLLTIB-ZDUSSCGKSA-N 1 3 310.413 2.501 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423397455 429080013 /nfs/dbraw/zinc/08/00/13/429080013.db2.gz SWLHKFYYCHKMRS-IIBYNOLFSA-N 1 3 321.468 2.900 20 0 DFADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000423397463 429080303 /nfs/dbraw/zinc/08/03/03/429080303.db2.gz SXHXEBNFHGSGPO-BPUTZDHNSA-N 1 3 301.434 2.734 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000423401453 429081795 /nfs/dbraw/zinc/08/17/95/429081795.db2.gz QWPUARVYXOZWPL-JKIFEVAISA-N 1 3 318.465 2.865 20 0 DFADHO COC[C@@]1(C[NH2+][C@@H](C)Cc2coc3ccccc23)CCCN1 ZINC000423413235 429083034 /nfs/dbraw/zinc/08/30/34/429083034.db2.gz JVTPRLRUIAUKHM-KSSFIOAISA-N 1 3 302.418 2.722 20 0 DFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423410921 429083961 /nfs/dbraw/zinc/08/39/61/429083961.db2.gz DVYKARLIGZAJPP-GVDBMIGSSA-N 1 3 317.477 2.702 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H]1CCCCN1C1CC1)[NH+]1CCCCC1 ZINC000434443449 429086294 /nfs/dbraw/zinc/08/62/94/429086294.db2.gz YUZGSBKPJGZKBZ-QZTJIDSGSA-N 1 3 321.509 2.630 20 0 DFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000434448994 429088060 /nfs/dbraw/zinc/08/80/60/429088060.db2.gz UKDBQSMVCRBRLI-ZWKOTPCHSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000434448994 429088063 /nfs/dbraw/zinc/08/80/63/429088063.db2.gz UKDBQSMVCRBRLI-ZWKOTPCHSA-N 1 3 319.493 2.527 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000423448014 429088856 /nfs/dbraw/zinc/08/88/56/429088856.db2.gz POYPHQWWFQWSME-MJBXVCDLSA-N 1 3 306.454 2.947 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cc(C)cc(CN)c1 ZINC000424430071 429143258 /nfs/dbraw/zinc/14/32/58/429143258.db2.gz YYSMWJQNHMPQTO-CQSZACIVSA-N 1 3 306.454 2.696 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cc(C)cc(CN)c1 ZINC000424430071 429143262 /nfs/dbraw/zinc/14/32/62/429143262.db2.gz YYSMWJQNHMPQTO-CQSZACIVSA-N 1 3 306.454 2.696 20 0 DFADHO CN(C[C@H]1CCCN(C)C1)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424140710 429098649 /nfs/dbraw/zinc/09/86/49/429098649.db2.gz WOOCOIGAWYIBFM-ROUUACIJSA-N 1 3 323.525 2.865 20 0 DFADHO Clc1ccc([C@@H]2CC[C@H](NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000423494983 429099141 /nfs/dbraw/zinc/09/91/41/429099141.db2.gz TULJFMICBMHIKL-PVAVHDDUSA-N 1 3 308.853 2.944 20 0 DFADHO CCN1CCC[C@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424156196 429100975 /nfs/dbraw/zinc/10/09/75/429100975.db2.gz NZJPULVYHDPODL-SJORKVTESA-N 1 3 309.498 2.665 20 0 DFADHO COc1cccc2c1CC[C@H]([NH2+][C@@H]1CNC[C@H]1c1ccccc1)C2 ZINC000423506457 429101334 /nfs/dbraw/zinc/10/13/34/429101334.db2.gz HUDRGLHBTGVUFH-YSIASYRMSA-N 1 3 322.452 2.898 20 0 DFADHO CCN(CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)C1CC1 ZINC000424162516 429102881 /nfs/dbraw/zinc/10/28/81/429102881.db2.gz WYTUAVURRPDMMI-MRXNPFEDSA-N 1 3 309.498 2.665 20 0 DFADHO C[C@@H]1C[N@@H+]([C@@H]2CCCN(Cc3ccccc3)[C@H]2C)C[C@@]1(C)CN ZINC000423507378 429104102 /nfs/dbraw/zinc/10/41/02/429104102.db2.gz JSXLSWSVAQWXIT-PIKOESSRSA-N 1 3 315.505 2.956 20 0 DFADHO C[C@@H]1C[N@H+]([C@@H]2CCCN(Cc3ccccc3)[C@H]2C)C[C@@]1(C)CN ZINC000423507378 429104105 /nfs/dbraw/zinc/10/41/05/429104105.db2.gz JSXLSWSVAQWXIT-PIKOESSRSA-N 1 3 315.505 2.956 20 0 DFADHO C[C@@H]1C[N@@H+]([C@H]2CCCN(Cc3ccccc3)[C@H]2C)C[C@@]1(C)CN ZINC000423507376 429104401 /nfs/dbraw/zinc/10/44/01/429104401.db2.gz JSXLSWSVAQWXIT-LCLWPZTBSA-N 1 3 315.505 2.956 20 0 DFADHO C[C@@H]1C[N@H+]([C@H]2CCCN(Cc3ccccc3)[C@H]2C)C[C@@]1(C)CN ZINC000423507376 429104408 /nfs/dbraw/zinc/10/44/08/429104408.db2.gz JSXLSWSVAQWXIT-LCLWPZTBSA-N 1 3 315.505 2.956 20 0 DFADHO CCO[C@H]1C[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1(C)C ZINC000423531593 429110129 /nfs/dbraw/zinc/11/01/29/429110129.db2.gz SXAXCJLZKKJJQS-WDSZJTOSSA-N 1 3 306.494 2.933 20 0 DFADHO CCO[C@H]1C[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000423531593 429110130 /nfs/dbraw/zinc/11/01/30/429110130.db2.gz SXAXCJLZKKJJQS-WDSZJTOSSA-N 1 3 306.494 2.933 20 0 DFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@H](C[NH3+])C1CCCC1 ZINC000423535020 429110970 /nfs/dbraw/zinc/11/09/70/429110970.db2.gz XASJBETYPUVRKK-XJKSGUPXSA-N 1 3 319.449 2.519 20 0 DFADHO Cc1cc(C)cc(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424282766 429119476 /nfs/dbraw/zinc/11/94/76/429119476.db2.gz AIFBBAMPHCDMLK-INIZCTEOSA-N 1 3 315.461 2.706 20 0 DFADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)C[C@H]2C1 ZINC000424306488 429122519 /nfs/dbraw/zinc/12/25/19/429122519.db2.gz VMYRFYYPFAMZOF-BAMLVTLESA-N 1 3 324.509 2.669 20 0 DFADHO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](CN)c1ccc(F)cc1 ZINC000424308140 429124541 /nfs/dbraw/zinc/12/45/41/429124541.db2.gz ZFVUDNOVGZIJID-SJLPKXTDSA-N 1 3 316.424 2.538 20 0 DFADHO Cc1nccn1C[C@H]1CCC[N@H+]1C[C@@H](CN)c1ccc(F)cc1 ZINC000424308140 429124543 /nfs/dbraw/zinc/12/45/43/429124543.db2.gz ZFVUDNOVGZIJID-SJLPKXTDSA-N 1 3 316.424 2.538 20 0 DFADHO Cc1nccn1C[C@H]1CCCN1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424308140 429124546 /nfs/dbraw/zinc/12/45/46/429124546.db2.gz ZFVUDNOVGZIJID-SJLPKXTDSA-N 1 3 316.424 2.538 20 0 DFADHO N[C@@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000424339841 429129368 /nfs/dbraw/zinc/12/93/68/429129368.db2.gz WVLAQAKBCKQPDQ-ZIAGYGMSSA-N 1 3 320.824 2.792 20 0 DFADHO C[C@@H]1CC2(CN1Cc1cccc3c1OCCCO3)CC[NH2+]CC2 ZINC000424385089 429133126 /nfs/dbraw/zinc/13/31/26/429133126.db2.gz VVOXKNDKGOETEA-OAHLLOKOSA-N 1 3 316.445 2.812 20 0 DFADHO COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1OC ZINC000424380363 429133609 /nfs/dbraw/zinc/13/36/09/429133609.db2.gz WYVCXNJFUPRODE-FVQBIDKESA-N 1 3 322.449 2.641 20 0 DFADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(OCc2cccnc2)cc1 ZINC000435376561 429137125 /nfs/dbraw/zinc/13/71/25/429137125.db2.gz RQKKVSFMKWVPAM-CRAIPNDOSA-N 1 3 311.429 2.830 20 0 DFADHO CC(C)[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)N1CCCCC1 ZINC000376564184 429139142 /nfs/dbraw/zinc/13/91/42/429139142.db2.gz ANXZOBNMNCVXOO-ABHNRTSZSA-N 1 3 321.509 2.630 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000424423848 429139885 /nfs/dbraw/zinc/13/98/85/429139885.db2.gz GURRWLIZCSDXDF-OAHLLOKOSA-N 1 3 318.465 2.840 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2N(C)CCCC2(C)C)c1 ZINC000424423036 429140836 /nfs/dbraw/zinc/14/08/36/429140836.db2.gz FPEOHSWOVMCJNI-MRXNPFEDSA-N 1 3 318.465 2.696 20 0 DFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[C@]1(C)c1cccs1 ZINC000364055691 429164516 /nfs/dbraw/zinc/16/45/16/429164516.db2.gz JKSNESRBXFLJEX-CPUCHLNUSA-N 1 3 320.506 2.624 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)[C@H]1C ZINC000494927287 429165377 /nfs/dbraw/zinc/16/53/77/429165377.db2.gz ZUMFJPZYCBXBFL-GJYPPUQNSA-N 1 3 301.478 2.568 20 0 DFADHO c1ccc(COC2CC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000364072067 429165934 /nfs/dbraw/zinc/16/59/34/429165934.db2.gz HLIMMXILCCEICH-BKVYNOPKSA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(COC2CC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000364072067 429165937 /nfs/dbraw/zinc/16/59/37/429165937.db2.gz HLIMMXILCCEICH-BKVYNOPKSA-N 1 3 300.446 2.951 20 0 DFADHO O[C@@H](C[NH2+][C@H]1CCCc2c(Cl)cccc21)CN1CCCC1 ZINC000273400838 275052582 /nfs/dbraw/zinc/05/25/82/275052582.db2.gz NAALBVKCJQWNKJ-GUYCJALGSA-N 1 3 308.853 2.764 20 0 DFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1CN(C)C ZINC000435928294 429172992 /nfs/dbraw/zinc/17/29/92/429172992.db2.gz PHRIUULHRVIZNM-KRWDZBQOSA-N 1 3 317.477 2.743 20 0 DFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1CN(C)C ZINC000435928294 429172997 /nfs/dbraw/zinc/17/29/97/429172997.db2.gz PHRIUULHRVIZNM-KRWDZBQOSA-N 1 3 317.477 2.743 20 0 DFADHO CC[N@@H+]1CC[C@H](NC2CC(O)(Cc3cccc(F)c3)C2)[C@@H](C)C1 ZINC000364482659 429212184 /nfs/dbraw/zinc/21/21/84/429212184.db2.gz JHLDAPCFUJEMBI-JOFJAFTHSA-N 1 3 320.452 2.582 20 0 DFADHO CC[N@H+]1CC[C@H](NC2CC(O)(Cc3cccc(F)c3)C2)[C@@H](C)C1 ZINC000364482659 429212189 /nfs/dbraw/zinc/21/21/89/429212189.db2.gz JHLDAPCFUJEMBI-JOFJAFTHSA-N 1 3 320.452 2.582 20 0 DFADHO C[C@H]1C[C@@H](C[NH3+])CN1CCOc1ccc(OC(F)(F)F)cc1 ZINC000442769162 429235332 /nfs/dbraw/zinc/23/53/32/429235332.db2.gz MYJUBQXQMJLUFP-RYUDHWBXSA-N 1 3 318.339 2.633 20 0 DFADHO CC(C)(C)OC(=O)CCCCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364653345 429242798 /nfs/dbraw/zinc/24/27/98/429242798.db2.gz DWQSAPNQJUUPNB-IXDOHACOSA-N 1 3 322.493 2.915 20 0 DFADHO CC(C)(C)OC(=O)CCCCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364653345 429242803 /nfs/dbraw/zinc/24/28/03/429242803.db2.gz DWQSAPNQJUUPNB-IXDOHACOSA-N 1 3 322.493 2.915 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000449104130 429333439 /nfs/dbraw/zinc/33/34/39/429333439.db2.gz UHZXTJWAPGRMPH-IXDOHACOSA-N 1 3 310.482 2.567 20 0 DFADHO CC(C)C[C@H](C[N@@H+]1CC[C@@H](N2CCNCC2)C1)c1ccccc1 ZINC000504438644 429336282 /nfs/dbraw/zinc/33/62/82/429336282.db2.gz NGIJFWYANWGQJS-WOJBJXKFSA-N 1 3 315.505 2.796 20 0 DFADHO CC(C)C[C@H](C[N@H+]1CC[C@@H](N2CCNCC2)C1)c1ccccc1 ZINC000504438644 429336285 /nfs/dbraw/zinc/33/62/85/429336285.db2.gz NGIJFWYANWGQJS-WOJBJXKFSA-N 1 3 315.505 2.796 20 0 DFADHO CC(C)OCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000365884046 429396786 /nfs/dbraw/zinc/39/67/86/429396786.db2.gz HPGSVANUMRGXLR-CALCHBBNSA-N 1 3 312.498 2.623 20 0 DFADHO C[C@H]1CC(CCNCc2cc(C3CC[NH2+]CC3)no2)C[C@H](C)O1 ZINC000425895352 429349504 /nfs/dbraw/zinc/34/95/04/429349504.db2.gz IXDUIXRCUXRARS-KBPBESRZSA-N 1 3 321.465 2.825 20 0 DFADHO CS[C@@H]1CCC[C@@H](NCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425901900 429351374 /nfs/dbraw/zinc/35/13/74/429351374.db2.gz REDZPMRPBQKJKU-UKRRQHHQSA-N 1 3 309.479 2.905 20 0 DFADHO Cc1cc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000449188313 429352526 /nfs/dbraw/zinc/35/25/26/429352526.db2.gz KMGQJKZZDUAXMN-SJORKVTESA-N 1 3 308.491 2.914 20 0 DFADHO C[C@H](Cc1ccoc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000449182873 429352838 /nfs/dbraw/zinc/35/28/38/429352838.db2.gz DCZMJIZFZQZQPV-ZTFGCOKTSA-N 1 3 306.450 2.568 20 0 DFADHO CC1=C[C@H](C)C[C@H](C[NH+]2CCN([C@H]3CCCN(C)C3)CC2)C1 ZINC000365665255 429359479 /nfs/dbraw/zinc/35/94/79/429359479.db2.gz FHELSSZFIBMOPX-WDSOQIARSA-N 1 3 305.510 2.691 20 0 DFADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H]2CN2CCCC2)CCCCC1 ZINC000426117963 429366867 /nfs/dbraw/zinc/36/68/67/429366867.db2.gz XCDFYWRXRHCSCX-QGZVFWFLSA-N 1 3 321.509 2.585 20 0 DFADHO COc1cc(F)cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000449324588 429387856 /nfs/dbraw/zinc/38/78/56/429387856.db2.gz GGRCAHFNUAHRNE-INIZCTEOSA-N 1 3 306.425 2.998 20 0 DFADHO CC[N@H+](CCCN(C)C)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449324387 429387931 /nfs/dbraw/zinc/38/79/31/429387931.db2.gz FAXBGNKHEFDWMI-UHFFFAOYSA-N 1 3 318.440 3.000 20 0 DFADHO CC[N@@H+](CCCN(C)C)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449324387 429387936 /nfs/dbraw/zinc/38/79/36/429387936.db2.gz FAXBGNKHEFDWMI-UHFFFAOYSA-N 1 3 318.440 3.000 20 0 DFADHO CC1(C)CCC[N@@H+]1CCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000457058818 429389078 /nfs/dbraw/zinc/38/90/78/429389078.db2.gz PYOHUOMMXCCTTL-QGZVFWFLSA-N 1 3 321.509 2.774 20 0 DFADHO CC1(C)CCC[N@H+]1CCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000457058818 429389080 /nfs/dbraw/zinc/38/90/80/429389080.db2.gz PYOHUOMMXCCTTL-QGZVFWFLSA-N 1 3 321.509 2.774 20 0 DFADHO O=C(CCNC1CC[NH+](CC2CC2)CC1)Nc1cccc(F)c1 ZINC000519141642 429448821 /nfs/dbraw/zinc/44/88/21/429448821.db2.gz OPMLDIZZQXCPPN-UHFFFAOYSA-N 1 3 319.424 2.618 20 0 DFADHO O=C(CC[NH2+]C1CCN(CC2CC2)CC1)Nc1cccc(F)c1 ZINC000519141642 429448824 /nfs/dbraw/zinc/44/88/24/429448824.db2.gz OPMLDIZZQXCPPN-UHFFFAOYSA-N 1 3 319.424 2.618 20 0 DFADHO CCO[C@@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)C12CCOCC2 ZINC000366438422 429452099 /nfs/dbraw/zinc/45/20/99/429452099.db2.gz ZBMOWPIQKWTXNR-OPQOLIRYSA-N 1 3 322.493 2.567 20 0 DFADHO CN1CC[C@@H](C[NH2+]Cc2cnc3cnccn23)[C@H]1c1ccccc1 ZINC000366449782 429454931 /nfs/dbraw/zinc/45/49/31/429454931.db2.gz NPSZDKUKDGNPNM-QFBILLFUSA-N 1 3 321.428 2.512 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)CN1CCCC1 ZINC000366075714 429412660 /nfs/dbraw/zinc/41/26/60/429412660.db2.gz XBIFWCKGSUPACB-ZACQAIPSSA-N 1 3 304.482 2.768 20 0 DFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](SC)C2)CC1 ZINC000449444847 429421417 /nfs/dbraw/zinc/42/14/17/429421417.db2.gz DWFAKDZIXQVSMI-KRWDZBQOSA-N 1 3 319.518 2.766 20 0 DFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](SC)C2)CC1 ZINC000449444847 429421420 /nfs/dbraw/zinc/42/14/20/429421420.db2.gz DWFAKDZIXQVSMI-KRWDZBQOSA-N 1 3 319.518 2.766 20 0 DFADHO Cc1ccc(N2CC[C@H](N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)C2)cc1 ZINC000366219629 429437009 /nfs/dbraw/zinc/43/70/09/429437009.db2.gz SCIKUJGFNQJJLR-MJQMVNBJSA-N 1 3 301.478 2.892 20 0 DFADHO Cc1ccc(N2CC[C@H](N[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)C2)cc1 ZINC000366219629 429437012 /nfs/dbraw/zinc/43/70/12/429437012.db2.gz SCIKUJGFNQJJLR-MJQMVNBJSA-N 1 3 301.478 2.892 20 0 DFADHO Cc1ccc(N2CC[C@H](N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)C2)cc1 ZINC000366219633 429437039 /nfs/dbraw/zinc/43/70/39/429437039.db2.gz SCIKUJGFNQJJLR-VXIBKDFQSA-N 1 3 301.478 2.892 20 0 DFADHO Cc1ccc(N2CC[C@H](N[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)C2)cc1 ZINC000366219633 429437042 /nfs/dbraw/zinc/43/70/42/429437042.db2.gz SCIKUJGFNQJJLR-VXIBKDFQSA-N 1 3 301.478 2.892 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](O)C2CCC2)CC1 ZINC000449739972 429493634 /nfs/dbraw/zinc/49/36/34/429493634.db2.gz NALKLKRYNFTZPD-OXJNMPFZSA-N 1 3 316.489 2.833 20 0 DFADHO CN(CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000520400784 429512498 /nfs/dbraw/zinc/51/24/98/429512498.db2.gz RRXVKOZOGYNLDF-MJGOQNOKSA-N 1 3 301.478 2.929 20 0 DFADHO CN(CCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000520400784 429512502 /nfs/dbraw/zinc/51/25/02/429512502.db2.gz RRXVKOZOGYNLDF-MJGOQNOKSA-N 1 3 301.478 2.929 20 0 DFADHO CN(CCCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000520400784 429512504 /nfs/dbraw/zinc/51/25/04/429512504.db2.gz RRXVKOZOGYNLDF-MJGOQNOKSA-N 1 3 301.478 2.929 20 0 DFADHO CN(CCCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000520400784 429512507 /nfs/dbraw/zinc/51/25/07/429512507.db2.gz RRXVKOZOGYNLDF-MJGOQNOKSA-N 1 3 301.478 2.929 20 0 DFADHO CSC[C@@H](O)CNCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000521426682 429551086 /nfs/dbraw/zinc/55/10/86/429551086.db2.gz LOAJKHNFHMGSDN-SFHVURJKSA-N 1 3 322.518 2.876 20 0 DFADHO Cc1ccc(NC(=O)CCNCC[C@@H](C)[NH+]2CCCCC2)nc1 ZINC000521614228 429558631 /nfs/dbraw/zinc/55/86/31/429558631.db2.gz CUIPJYMFUXXHFL-MRXNPFEDSA-N 1 3 318.465 2.573 20 0 DFADHO Cc1ccc(NC(=O)CC[NH2+]CC[C@@H](C)N2CCCCC2)nc1 ZINC000521614228 429558637 /nfs/dbraw/zinc/55/86/37/429558637.db2.gz CUIPJYMFUXXHFL-MRXNPFEDSA-N 1 3 318.465 2.573 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)C1 ZINC000521899485 429568298 /nfs/dbraw/zinc/56/82/98/429568298.db2.gz YDPXTVKHGOKSST-JHJVBQTASA-N 1 3 311.832 2.917 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCC23CCOCC3)C[C@@H](C)O1 ZINC000367066097 429569863 /nfs/dbraw/zinc/56/98/63/429569863.db2.gz LODQSPCBRBWGOC-KURKYZTESA-N 1 3 324.509 2.815 20 0 DFADHO Cc1cccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000367117425 429581816 /nfs/dbraw/zinc/58/18/16/429581816.db2.gz OXTBIZZWSVBDKK-LJQANCHMSA-N 1 3 301.478 2.595 20 0 DFADHO Cc1cccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000367117425 429581819 /nfs/dbraw/zinc/58/18/19/429581819.db2.gz OXTBIZZWSVBDKK-LJQANCHMSA-N 1 3 301.478 2.595 20 0 DFADHO C[C@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000449936619 429541153 /nfs/dbraw/zinc/54/11/53/429541153.db2.gz DSLCWMALTBQIFE-DOTOQJQBSA-N 1 3 323.525 2.876 20 0 DFADHO CCc1ccc2nccc(N3CC[N@H+](C[C@@H](C)O)C[C@H]3C)c2c1 ZINC000450452763 429629729 /nfs/dbraw/zinc/62/97/29/429629729.db2.gz ICFLXICAEWGFFC-HUUCEWRRSA-N 1 3 313.445 2.689 20 0 DFADHO CCc1ccc2nccc(N3CC[N@@H+](C[C@@H](C)O)C[C@H]3C)c2c1 ZINC000450452763 429629733 /nfs/dbraw/zinc/62/97/33/429629733.db2.gz ICFLXICAEWGFFC-HUUCEWRRSA-N 1 3 313.445 2.689 20 0 DFADHO C[C@@H](O)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450456788 429632310 /nfs/dbraw/zinc/63/23/10/429632310.db2.gz UKDIUACCQOYUMG-IEBWSBKVSA-N 1 3 302.462 2.745 20 0 DFADHO C[C@@H](O)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450456788 429632314 /nfs/dbraw/zinc/63/23/14/429632314.db2.gz UKDIUACCQOYUMG-IEBWSBKVSA-N 1 3 302.462 2.745 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC(COc2ccccn2)CC1 ZINC000367215751 429597646 /nfs/dbraw/zinc/59/76/46/429597646.db2.gz MICZDZWABRFJSU-QGZVFWFLSA-N 1 3 303.450 2.657 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(COc2ccccn2)CC1 ZINC000367215751 429597650 /nfs/dbraw/zinc/59/76/50/429597650.db2.gz MICZDZWABRFJSU-QGZVFWFLSA-N 1 3 303.450 2.657 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC(COc2ccccn2)CC1 ZINC000367215751 429597655 /nfs/dbraw/zinc/59/76/55/429597655.db2.gz MICZDZWABRFJSU-QGZVFWFLSA-N 1 3 303.450 2.657 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450340144 429604298 /nfs/dbraw/zinc/60/42/98/429604298.db2.gz UPOBZVYIJRXJLB-QFBILLFUSA-N 1 3 304.478 2.956 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000429430556 429608792 /nfs/dbraw/zinc/60/87/92/429608792.db2.gz RYBCDTQAWCKBDL-ACJWMLNOSA-N 1 3 320.452 2.610 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000429430556 429608796 /nfs/dbraw/zinc/60/87/96/429608796.db2.gz RYBCDTQAWCKBDL-ACJWMLNOSA-N 1 3 320.452 2.610 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)[C@@H](C)C1 ZINC000429460199 429609468 /nfs/dbraw/zinc/60/94/68/429609468.db2.gz XENYQWQLLOQGNC-VLQPXKRTSA-N 1 3 320.452 2.612 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)[C@@H](C)C1 ZINC000429460199 429609472 /nfs/dbraw/zinc/60/94/72/429609472.db2.gz XENYQWQLLOQGNC-VLQPXKRTSA-N 1 3 320.452 2.612 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450373328 429612988 /nfs/dbraw/zinc/61/29/88/429612988.db2.gz TXIQXSJZDGWWCK-UONOGXRCSA-N 1 3 304.425 2.589 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@@H]2CCC[C@H]21 ZINC000367517652 429664235 /nfs/dbraw/zinc/66/42/35/429664235.db2.gz CVPGILXNHSZOEU-OKZBNKHCSA-N 1 3 315.461 2.833 20 0 DFADHO CCOC1CC(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000367553179 429669701 /nfs/dbraw/zinc/66/97/01/429669701.db2.gz LSPAILLDPWVDTI-CCZBSFLLSA-N 1 3 324.509 2.623 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H]1CCCc2ccc(O)cc21 ZINC000361002536 276100145 /nfs/dbraw/zinc/10/01/45/276100145.db2.gz KGUGEFQASKHVMZ-SFHVURJKSA-N 1 3 306.450 2.718 20 0 DFADHO Cc1cc(F)ccc1[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000367583784 429677476 /nfs/dbraw/zinc/67/74/76/429677476.db2.gz FWLIVLSXELEOHR-IXEWLPCDSA-N 1 3 306.425 2.725 20 0 DFADHO Cc1cc(F)ccc1[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000367583784 429677480 /nfs/dbraw/zinc/67/74/80/429677480.db2.gz FWLIVLSXELEOHR-IXEWLPCDSA-N 1 3 306.425 2.725 20 0 DFADHO CN(CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000367599899 429681062 /nfs/dbraw/zinc/68/10/62/429681062.db2.gz IMXYIPUWYUGUAZ-OTWHNJEPSA-N 1 3 301.478 2.581 20 0 DFADHO CN(CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000367599899 429681067 /nfs/dbraw/zinc/68/10/67/429681067.db2.gz IMXYIPUWYUGUAZ-OTWHNJEPSA-N 1 3 301.478 2.581 20 0 DFADHO CN(CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000367599899 429681069 /nfs/dbraw/zinc/68/10/69/429681069.db2.gz IMXYIPUWYUGUAZ-OTWHNJEPSA-N 1 3 301.478 2.581 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000154256286 276195085 /nfs/dbraw/zinc/19/50/85/276195085.db2.gz OLFDJSRKMHBOAX-QGZVFWFLSA-N 1 3 319.493 2.910 20 0 DFADHO CN(CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000367599898 429682670 /nfs/dbraw/zinc/68/26/70/429682670.db2.gz IMXYIPUWYUGUAZ-IPMKNSEASA-N 1 3 301.478 2.581 20 0 DFADHO CN(CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000367599898 429682672 /nfs/dbraw/zinc/68/26/72/429682672.db2.gz IMXYIPUWYUGUAZ-IPMKNSEASA-N 1 3 301.478 2.581 20 0 DFADHO CN(CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000367599898 429682675 /nfs/dbraw/zinc/68/26/75/429682675.db2.gz IMXYIPUWYUGUAZ-IPMKNSEASA-N 1 3 301.478 2.581 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000246463495 276228727 /nfs/dbraw/zinc/22/87/27/276228727.db2.gz QBCKWRQHVAFOMT-KBPBESRZSA-N 1 3 307.507 2.884 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000246463495 276228728 /nfs/dbraw/zinc/22/87/28/276228728.db2.gz QBCKWRQHVAFOMT-KBPBESRZSA-N 1 3 307.507 2.884 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)[C@@H](C)C1 ZINC000367601030 276316112 /nfs/dbraw/zinc/31/61/12/276316112.db2.gz MAPZPCKRROHCKL-XIRDDKMYSA-N 1 3 320.481 2.514 20 0 DFADHO CCOCCC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000375014264 276317171 /nfs/dbraw/zinc/31/71/71/276317171.db2.gz ASIFPYQKFCSGBI-KRWDZBQOSA-N 1 3 318.461 2.991 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CSCCc2ccccc21 ZINC000166035107 276357812 /nfs/dbraw/zinc/35/78/12/276357812.db2.gz BGUXCACYTURKPE-AEFFLSMTSA-N 1 3 322.518 2.963 20 0 DFADHO C[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])N1CCCC[C@H]1C ZINC000430758720 429714387 /nfs/dbraw/zinc/71/43/87/429714387.db2.gz DGGGSFQNPRKMEH-QBPKDAKJSA-N 1 3 309.498 2.663 20 0 DFADHO C[N@H+](CCOC1CCC1)CC1CCN(c2ccncc2)CC1 ZINC000367859978 429730992 /nfs/dbraw/zinc/73/09/92/429730992.db2.gz YQVSVZNRZLGGIZ-UHFFFAOYSA-N 1 3 303.450 2.799 20 0 DFADHO C[N@@H+](CCOC1CCC1)CC1CCN(c2ccncc2)CC1 ZINC000367859978 429730998 /nfs/dbraw/zinc/73/09/98/429730998.db2.gz YQVSVZNRZLGGIZ-UHFFFAOYSA-N 1 3 303.450 2.799 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](C(C)(C)C)C2)CC1 ZINC000483237855 429733247 /nfs/dbraw/zinc/73/32/47/429733247.db2.gz BUWCIEJEPGVVFX-INIZCTEOSA-N 1 3 323.525 2.734 20 0 DFADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)NCCCC1CCCCC1 ZINC000431028382 429734893 /nfs/dbraw/zinc/73/48/93/429734893.db2.gz PTOAJPKULMDXCX-UHFFFAOYSA-N 1 3 321.509 2.539 20 0 DFADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3ccccc3F)C2)CC1 ZINC000368139186 429797214 /nfs/dbraw/zinc/79/72/14/429797214.db2.gz HNHZHDOGUMMEQC-MRXNPFEDSA-N 1 3 305.441 2.868 20 0 DFADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@H]1CC1(C)C ZINC000486968772 429757401 /nfs/dbraw/zinc/75/74/01/429757401.db2.gz OOLZSPIMPICOCN-FUHWJXTLSA-N 1 3 316.493 2.618 20 0 DFADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000486968779 429757538 /nfs/dbraw/zinc/75/75/38/429757538.db2.gz OOLZSPIMPICOCN-WMZOPIPTSA-N 1 3 316.493 2.618 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000451070362 429761479 /nfs/dbraw/zinc/76/14/79/429761479.db2.gz OLYJJJJCVTVPDI-QRQLOZEOSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000451070362 429761484 /nfs/dbraw/zinc/76/14/84/429761484.db2.gz OLYJJJJCVTVPDI-QRQLOZEOSA-N 1 3 302.462 2.569 20 0 DFADHO CC(C)(C)N1CCC([NH2+][C@@H]2COc3ccc(F)cc3C2)CC1 ZINC000368006869 429765057 /nfs/dbraw/zinc/76/50/57/429765057.db2.gz OQODWBBSPVDYKG-INIZCTEOSA-N 1 3 306.425 2.982 20 0 DFADHO C[C@@H]1CN(C2CC2)CC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000451095585 429768378 /nfs/dbraw/zinc/76/83/78/429768378.db2.gz TXTYIQNKCCHEAL-INIZCTEOSA-N 1 3 319.468 2.674 20 0 DFADHO C[C@@H]1CN(C2CC2)CC[N@@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000451095585 429768380 /nfs/dbraw/zinc/76/83/80/429768380.db2.gz TXTYIQNKCCHEAL-INIZCTEOSA-N 1 3 319.468 2.674 20 0 DFADHO CCC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000431615622 429773693 /nfs/dbraw/zinc/77/36/93/429773693.db2.gz YFXUAOJJQVOUGZ-GOSISDBHSA-N 1 3 321.509 2.774 20 0 DFADHO CC(C)N1CCC([NH2+]C[C@]2(C)OCCc3sccc32)CC1 ZINC000368055323 429776431 /nfs/dbraw/zinc/77/64/31/429776431.db2.gz NMJOSBJTQYKPFE-KRWDZBQOSA-N 1 3 308.491 2.998 20 0 DFADHO C[C@@H](CNC(=O)[C@@H]1CCCCN1C1CCCC1)C[NH+]1CCCC1 ZINC000431724966 429778718 /nfs/dbraw/zinc/77/87/18/429778718.db2.gz XWCMKKKYDIZSOR-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO CC1CCN(CCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431742856 429781470 /nfs/dbraw/zinc/78/14/70/429781470.db2.gz MLDQCYJSMTWYCT-SFHVURJKSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431912750 429789525 /nfs/dbraw/zinc/78/95/25/429789525.db2.gz JXEYIECEAQADRK-AEFFLSMTSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431912750 429789529 /nfs/dbraw/zinc/78/95/29/429789529.db2.gz JXEYIECEAQADRK-AEFFLSMTSA-N 1 3 321.509 2.774 20 0 DFADHO FC1(F)Oc2cccc(CCN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2O1 ZINC000527754328 429792613 /nfs/dbraw/zinc/79/26/13/429792613.db2.gz JRKVOLGVQIWTDO-KGLIPLIRSA-N 1 3 324.371 2.767 20 0 DFADHO FC1(F)Oc2cccc(CCN[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2O1 ZINC000527754328 429792617 /nfs/dbraw/zinc/79/26/17/429792617.db2.gz JRKVOLGVQIWTDO-KGLIPLIRSA-N 1 3 324.371 2.767 20 0 DFADHO COCCOc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000368135807 429795362 /nfs/dbraw/zinc/79/53/62/429795362.db2.gz RPTFQEDEMWZKTH-PKOBYXMFSA-N 1 3 318.461 2.628 20 0 DFADHO COCCOc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000368135807 429795366 /nfs/dbraw/zinc/79/53/66/429795366.db2.gz RPTFQEDEMWZKTH-PKOBYXMFSA-N 1 3 318.461 2.628 20 0 DFADHO C[C@H](NCc1ccncc1OCCC[NH+](C)C)[C@@H]1CC12CC2 ZINC000527901674 429818596 /nfs/dbraw/zinc/81/85/96/429818596.db2.gz RVEVMNPOJJZPNQ-HOCLYGCPSA-N 1 3 303.450 2.690 20 0 DFADHO CCO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000527974723 429829550 /nfs/dbraw/zinc/82/95/50/429829550.db2.gz OQCLATFSHWMSTD-OLMNPRSZSA-N 1 3 306.450 2.845 20 0 DFADHO OC1CC(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000528016497 429837212 /nfs/dbraw/zinc/83/72/12/429837212.db2.gz ASCNVVWGXRSWEU-DRRJLQACSA-N 1 3 314.473 2.648 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CC12CC2 ZINC000527848527 429810788 /nfs/dbraw/zinc/81/07/88/429810788.db2.gz KKOIUZJRQAVUEG-VQIMIIECSA-N 1 3 313.489 2.712 20 0 DFADHO CO[C@@H](Cc1ccc(F)cc1)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000528385353 429883317 /nfs/dbraw/zinc/88/33/17/429883317.db2.gz BPVYEJVFGSAERQ-AEFFLSMTSA-N 1 3 308.441 2.657 20 0 DFADHO CO[C@@H](Cc1ccc(F)cc1)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000528385353 429883320 /nfs/dbraw/zinc/88/33/20/429883320.db2.gz BPVYEJVFGSAERQ-AEFFLSMTSA-N 1 3 308.441 2.657 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000528385354 429883577 /nfs/dbraw/zinc/88/35/77/429883577.db2.gz BPVYEJVFGSAERQ-FUHWJXTLSA-N 1 3 308.441 2.657 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000528385354 429883579 /nfs/dbraw/zinc/88/35/79/429883579.db2.gz BPVYEJVFGSAERQ-FUHWJXTLSA-N 1 3 308.441 2.657 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528399049 429884953 /nfs/dbraw/zinc/88/49/53/429884953.db2.gz QXWITSIBNIGACW-FUHWJXTLSA-N 1 3 308.441 2.657 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528399049 429884954 /nfs/dbraw/zinc/88/49/54/429884954.db2.gz QXWITSIBNIGACW-FUHWJXTLSA-N 1 3 308.441 2.657 20 0 DFADHO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCCN2C)o1 ZINC000368755695 429891720 /nfs/dbraw/zinc/89/17/20/429891720.db2.gz CYWAAKVSIXAMDS-NVXWUHKLSA-N 1 3 319.449 2.537 20 0 DFADHO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CCCN2C)o1 ZINC000368755695 429891722 /nfs/dbraw/zinc/89/17/22/429891722.db2.gz CYWAAKVSIXAMDS-NVXWUHKLSA-N 1 3 319.449 2.537 20 0 DFADHO CN1CC[NH+](CC2(C)CCN(Cc3ccccc3F)CC2)CC1 ZINC000368835225 429897371 /nfs/dbraw/zinc/89/73/71/429897371.db2.gz REHFQVPNDGFHNZ-UHFFFAOYSA-N 1 3 319.468 2.675 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000369021049 429908247 /nfs/dbraw/zinc/90/82/47/429908247.db2.gz GXFAIHFYTGZEQA-QZTJIDSGSA-N 1 3 321.509 2.585 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528746555 429912139 /nfs/dbraw/zinc/91/21/39/429912139.db2.gz WKDPZGDXSQDVGJ-SJORKVTESA-N 1 3 308.441 2.706 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528746555 429912141 /nfs/dbraw/zinc/91/21/41/429912141.db2.gz WKDPZGDXSQDVGJ-SJORKVTESA-N 1 3 308.441 2.706 20 0 DFADHO c1ccc(CCN2CC[C@@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000369328467 429923892 /nfs/dbraw/zinc/92/38/92/429923892.db2.gz BDZYTGYKENZEAW-ZWKOTPCHSA-N 1 3 304.503 2.894 20 0 DFADHO COc1ccc(CC[NH2+][C@H]2CCC[C@H](N)C2)cc1OC(F)F ZINC000573458930 429955118 /nfs/dbraw/zinc/95/51/18/429955118.db2.gz KOYXYZACOYSQSX-STQMWFEESA-N 1 3 314.376 2.699 20 0 DFADHO COc1ccc(CCN[C@H]2CCC[C@H]([NH3+])C2)cc1OC(F)F ZINC000573458930 429955125 /nfs/dbraw/zinc/95/51/25/429955125.db2.gz KOYXYZACOYSQSX-STQMWFEESA-N 1 3 314.376 2.699 20 0 DFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000573669456 429971666 /nfs/dbraw/zinc/97/16/66/429971666.db2.gz ZZILWHHMCMRVLB-GOEBONIOSA-N 1 3 307.482 2.821 20 0 DFADHO C[NH+]1CCC2(CCN(Cc3cc(F)cc4c3OCOC4)C2)CC1 ZINC000639764941 429973547 /nfs/dbraw/zinc/97/35/47/429973547.db2.gz YFMFURUBSSKBNH-UHFFFAOYSA-N 1 3 320.408 2.610 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639791223 429983963 /nfs/dbraw/zinc/98/39/63/429983963.db2.gz JHNZZGIGHOTIHW-IAGOWNOFSA-N 1 3 310.445 2.903 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639791223 429983966 /nfs/dbraw/zinc/98/39/66/429983966.db2.gz JHNZZGIGHOTIHW-IAGOWNOFSA-N 1 3 310.445 2.903 20 0 DFADHO c1cc(N2CCC[N@@H+](CCc3ccc4c(c3)CCO4)CC2)ccn1 ZINC000639682703 429945298 /nfs/dbraw/zinc/94/52/98/429945298.db2.gz KAHPCSFLLBNQSL-UHFFFAOYSA-N 1 3 323.440 2.771 20 0 DFADHO c1cc(N2CCC[N@H+](CCc3ccc4c(c3)CCO4)CC2)ccn1 ZINC000639682703 429945304 /nfs/dbraw/zinc/94/53/04/429945304.db2.gz KAHPCSFLLBNQSL-UHFFFAOYSA-N 1 3 323.440 2.771 20 0 DFADHO Cc1ncsc1CC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683226 429946996 /nfs/dbraw/zinc/94/69/96/429946996.db2.gz SJLLETXXLKDNKW-UHFFFAOYSA-N 1 3 302.447 2.601 20 0 DFADHO Cc1ncsc1CC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683226 429947002 /nfs/dbraw/zinc/94/70/02/429947002.db2.gz SJLLETXXLKDNKW-UHFFFAOYSA-N 1 3 302.447 2.601 20 0 DFADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCCN(c2ccncc2)CC1 ZINC000639684608 429947261 /nfs/dbraw/zinc/94/72/61/429947261.db2.gz XGCBCRHVUDLKAL-IBGZPJMESA-N 1 3 316.493 2.857 20 0 DFADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCCN(c2ccncc2)CC1 ZINC000639684608 429947263 /nfs/dbraw/zinc/94/72/63/429947263.db2.gz XGCBCRHVUDLKAL-IBGZPJMESA-N 1 3 316.493 2.857 20 0 DFADHO c1cc(N2CCC([NH2+]C[C@H]3CCN3C3CCCC3)CC2)ccn1 ZINC000529670672 430049120 /nfs/dbraw/zinc/04/91/20/430049120.db2.gz WGHGUYUIYNWXCP-LJQANCHMSA-N 1 3 314.477 2.657 20 0 DFADHO Cn1cc2ccc(C[NH2+]C3CCN(c4ccncc4)CC3)cc2n1 ZINC000529641634 430046135 /nfs/dbraw/zinc/04/61/35/430046135.db2.gz OFUJQOSXANZBCR-UHFFFAOYSA-N 1 3 321.428 2.727 20 0 DFADHO CCN1CC[C@H]([NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748958 429989427 /nfs/dbraw/zinc/98/94/27/429989427.db2.gz MCONTTGQWRRCND-IHPCNDPISA-N 1 3 315.505 2.889 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748958 429989432 /nfs/dbraw/zinc/98/94/32/429989432.db2.gz MCONTTGQWRRCND-IHPCNDPISA-N 1 3 315.505 2.889 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748958 429989435 /nfs/dbraw/zinc/98/94/35/429989435.db2.gz MCONTTGQWRRCND-IHPCNDPISA-N 1 3 315.505 2.889 20 0 DFADHO COc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000574092035 430010470 /nfs/dbraw/zinc/01/04/70/430010470.db2.gz QZFGFRIJLAQMIE-OAHLLOKOSA-N 1 3 306.425 2.998 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CC(F)(F)C1 ZINC000529540061 430023043 /nfs/dbraw/zinc/02/30/43/430023043.db2.gz DSXVASAKTWVHIO-GUYCJALGSA-N 1 3 324.415 2.777 20 0 DFADHO C/C(=C/c1ccccc1)C[N@@H+](C)CCCN(C)CCN(C)C ZINC000561981761 430105367 /nfs/dbraw/zinc/10/53/67/430105367.db2.gz FWYIEDUKJPUNGQ-VLGSPTGOSA-N 1 3 303.494 2.905 20 0 DFADHO C/C(=C/c1ccccc1)C[N@H+](C)CCCN(C)CCN(C)C ZINC000561981761 430105368 /nfs/dbraw/zinc/10/53/68/430105368.db2.gz FWYIEDUKJPUNGQ-VLGSPTGOSA-N 1 3 303.494 2.905 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000530226141 430106004 /nfs/dbraw/zinc/10/60/04/430106004.db2.gz PXORYXYERMCMPF-ILXVDBEPSA-N 1 3 308.441 2.688 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000530226141 430106006 /nfs/dbraw/zinc/10/60/06/430106006.db2.gz PXORYXYERMCMPF-ILXVDBEPSA-N 1 3 308.441 2.688 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000530226141 430106009 /nfs/dbraw/zinc/10/60/09/430106009.db2.gz PXORYXYERMCMPF-ILXVDBEPSA-N 1 3 308.441 2.688 20 0 DFADHO CC(C)(C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H](N)c1ccccc1 ZINC000634763475 430106814 /nfs/dbraw/zinc/10/68/14/430106814.db2.gz XMCAVFNFFOPGQH-CVEARBPZSA-N 1 3 317.477 2.607 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCNC23CCC3)cc1O ZINC000530243325 430107439 /nfs/dbraw/zinc/10/74/39/430107439.db2.gz HLTZNUMZOFKKOA-SUMWQHHRSA-N 1 3 304.434 2.596 20 0 DFADHO COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCNC23CCC3)cc1F ZINC000530245119 430107469 /nfs/dbraw/zinc/10/74/69/430107469.db2.gz UMZNCTGMTUEZLF-DYVFJYSZSA-N 1 3 306.425 2.887 20 0 DFADHO CC(C)[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000530245159 430107682 /nfs/dbraw/zinc/10/76/82/430107682.db2.gz UZLNOKQLQNXLPK-WOJBJXKFSA-N 1 3 315.505 2.828 20 0 DFADHO C[NH+](C)Cc1ccccc1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000562096823 430108813 /nfs/dbraw/zinc/10/88/13/430108813.db2.gz WKRUUKNLUMSEBD-KRWDZBQOSA-N 1 3 301.434 2.561 20 0 DFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000561074582 430075439 /nfs/dbraw/zinc/07/54/39/430075439.db2.gz UVEATJRAGJRSNM-WMZOPIPTSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000561074582 430075442 /nfs/dbraw/zinc/07/54/42/430075442.db2.gz UVEATJRAGJRSNM-WMZOPIPTSA-N 1 3 317.477 2.526 20 0 DFADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000634680146 430076118 /nfs/dbraw/zinc/07/61/18/430076118.db2.gz LWFQAUSMENTEBJ-KRWDZBQOSA-N 1 3 320.477 2.717 20 0 DFADHO CC[NH2+]CCCN[C@H]1CCc2cc(Br)ccc2C1 ZINC000580827684 430155422 /nfs/dbraw/zinc/15/54/22/430155422.db2.gz DFROZIGIQLZOFS-HNNXBMFYSA-N 1 3 311.267 2.896 20 0 DFADHO CCNCCC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000580827684 430155426 /nfs/dbraw/zinc/15/54/26/430155426.db2.gz DFROZIGIQLZOFS-HNNXBMFYSA-N 1 3 311.267 2.896 20 0 DFADHO C[NH+](C)Cc1cccc(CNCc2ccc3nccnc3c2)c1 ZINC000634951219 430172985 /nfs/dbraw/zinc/17/29/85/430172985.db2.gz PSWXQHFIPQPRNH-UHFFFAOYSA-N 1 3 306.413 2.981 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000580639743 430140641 /nfs/dbraw/zinc/14/06/41/430140641.db2.gz NGONETPVCSUQMC-BDAKNGLRSA-N 1 3 324.778 2.881 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCCc4ccccc43)C2)CC1 ZINC000370637903 277028198 /nfs/dbraw/zinc/02/81/98/277028198.db2.gz VVEODUGCJMZBHO-XLIONFOSSA-N 1 3 313.489 2.822 20 0 DFADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H](N(C)C)C2)c1 ZINC000581185774 430186106 /nfs/dbraw/zinc/18/61/06/430186106.db2.gz GWQOPSWUXBXVEQ-OKZBNKHCSA-N 1 3 320.477 2.506 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000371330126 277060574 /nfs/dbraw/zinc/06/05/74/277060574.db2.gz QVEDRJBFIALDCC-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000371330126 277060575 /nfs/dbraw/zinc/06/05/75/277060575.db2.gz QVEDRJBFIALDCC-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000371330126 277060577 /nfs/dbraw/zinc/06/05/77/277060577.db2.gz QVEDRJBFIALDCC-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000371330126 277060578 /nfs/dbraw/zinc/06/05/78/277060578.db2.gz QVEDRJBFIALDCC-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO Clc1ccccc1N1CC[C@H](C[NH2+]CC23CC(C2)CN3)C1 ZINC000634996178 430186961 /nfs/dbraw/zinc/18/69/61/430186961.db2.gz BTCICAGTGNJPOW-TUBUQKNSSA-N 1 3 305.853 2.508 20 0 DFADHO COc1cccc(OC)c1CN1CCC(CC[NH+](C)C)CC1 ZINC000637964747 430188131 /nfs/dbraw/zinc/18/81/31/430188131.db2.gz LYFYKKNFSMYWFM-UHFFFAOYSA-N 1 3 306.450 2.868 20 0 DFADHO C[C@@H]1CN(Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000634998845 430189334 /nfs/dbraw/zinc/18/93/34/430189334.db2.gz LSGJKIYXWXVAHC-UKRRQHHQSA-N 1 3 324.428 2.860 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNCC(C)(C)C2)C1 ZINC000635007714 430193514 /nfs/dbraw/zinc/19/35/14/430193514.db2.gz BEDLOSOQFPQKFR-OWCLPIDISA-N 1 3 304.482 2.814 20 0 DFADHO CN(CCCC[NH+]1CCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000640534690 430193843 /nfs/dbraw/zinc/19/38/43/430193843.db2.gz RVYDLZOKOFBISQ-FGTMMUONSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012473 430195423 /nfs/dbraw/zinc/19/54/23/430195423.db2.gz UKCVKTBAFSVHMW-GDBMZVCRSA-N 1 3 303.450 2.772 20 0 DFADHO Cc1cc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(C)o1 ZINC000635008359 430196716 /nfs/dbraw/zinc/19/67/16/430196716.db2.gz JFTODLITHHQCCU-ZDUSSCGKSA-N 1 3 300.406 2.874 20 0 DFADHO COc1ccc(COCCC[NH2+][C@H](C)[C@H]2CCCNC2)cc1 ZINC000581304659 430197612 /nfs/dbraw/zinc/19/76/12/430197612.db2.gz VKYVKVQZVMDXDM-WBVHZDCISA-N 1 3 306.450 2.580 20 0 DFADHO COCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248418754 277239393 /nfs/dbraw/zinc/23/93/93/277239393.db2.gz TWIBGGAABZRWFV-WZGPROSRSA-N 1 3 302.462 2.912 20 0 DFADHO CO[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353631564 277332239 /nfs/dbraw/zinc/33/22/39/277332239.db2.gz LYBDKPMRRITBNP-BRSBDYLESA-N 1 3 306.425 2.976 20 0 DFADHO CO[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353631564 277332240 /nfs/dbraw/zinc/33/22/40/277332240.db2.gz LYBDKPMRRITBNP-BRSBDYLESA-N 1 3 306.425 2.976 20 0 DFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](N)CCC(C)C)cc1 ZINC000638053619 430220529 /nfs/dbraw/zinc/22/05/29/430220529.db2.gz KNXXQXYCRDNSHC-GOSISDBHSA-N 1 3 319.493 2.908 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000638126479 430244492 /nfs/dbraw/zinc/24/44/92/430244492.db2.gz VYLCBVBRHGKGTB-QGZVFWFLSA-N 1 3 309.498 2.663 20 0 DFADHO CC1CC[NH+](CCCCNC(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635347362 430257077 /nfs/dbraw/zinc/25/70/77/430257077.db2.gz YQNMYVKVAIZYII-SFHVURJKSA-N 1 3 321.509 2.632 20 0 DFADHO CCCOc1ccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000582002695 430257772 /nfs/dbraw/zinc/25/77/72/430257772.db2.gz ASBNBONCOCTBRN-KRWDZBQOSA-N 1 3 318.461 2.663 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000566480988 430266097 /nfs/dbraw/zinc/26/60/97/430266097.db2.gz DFJKWDIQZIMMFP-PKOBYXMFSA-N 1 3 317.477 2.573 20 0 DFADHO CCN1CCN(c2cccc(N[C@@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000566481246 430266497 /nfs/dbraw/zinc/26/64/97/430266497.db2.gz GJLOJPJSHUTHRF-HZPDHXFCSA-N 1 3 302.466 2.510 20 0 DFADHO CC(C)[N@@H+]1CC[C@@H](CNCc2cc(-n3ccnc3)cs2)C1 ZINC000566526038 430267857 /nfs/dbraw/zinc/26/78/57/430267857.db2.gz DVIJEFDMLWXREN-AWEZNQCLSA-N 1 3 304.463 2.754 20 0 DFADHO CC(C)[N@H+]1CC[C@@H](CNCc2cc(-n3ccnc3)cs2)C1 ZINC000566526038 430267861 /nfs/dbraw/zinc/26/78/61/430267861.db2.gz DVIJEFDMLWXREN-AWEZNQCLSA-N 1 3 304.463 2.754 20 0 DFADHO CC(C)N1CC[C@@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000566526038 430267864 /nfs/dbraw/zinc/26/78/64/430267864.db2.gz DVIJEFDMLWXREN-AWEZNQCLSA-N 1 3 304.463 2.754 20 0 DFADHO CCN[C@H](C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000638087028 430233430 /nfs/dbraw/zinc/23/34/30/430233430.db2.gz MFNPJXWCLJJAMZ-OAHLLOKOSA-N 1 3 303.450 2.999 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000638102402 430236477 /nfs/dbraw/zinc/23/64/77/430236477.db2.gz USILEIWAAZRBHM-ROUUACIJSA-N 1 3 323.525 2.865 20 0 DFADHO CC(C)NCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000581737833 430238210 /nfs/dbraw/zinc/23/82/10/430238210.db2.gz UDAZUNLBIZDFIS-OAHLLOKOSA-N 1 3 303.450 2.998 20 0 DFADHO CC(C)NCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000581737833 430238215 /nfs/dbraw/zinc/23/82/15/430238215.db2.gz UDAZUNLBIZDFIS-OAHLLOKOSA-N 1 3 303.450 2.998 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCN(C)C)c2)C[C@H](C)O1 ZINC000568355096 430349162 /nfs/dbraw/zinc/34/91/62/430349162.db2.gz NJDQUCFIYCAIPN-SCAQPMJSSA-N 1 3 306.450 2.673 20 0 DFADHO CN1CC[NH+](CCCCNCc2ncc(C(C)(C)C)s2)CC1 ZINC000582281401 430285875 /nfs/dbraw/zinc/28/58/75/430285875.db2.gz USOIPVOLOASLQB-UHFFFAOYSA-N 1 3 324.538 2.558 20 0 DFADHO O=C(Nc1ccc2c(c1)CNC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638257952 430287049 /nfs/dbraw/zinc/28/70/49/430287049.db2.gz DCLQMRZBBRUSJA-QGZVFWFLSA-N 1 3 321.424 2.750 20 0 DFADHO O=C(Nc1ccc2c(c1)CNC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638257952 430287054 /nfs/dbraw/zinc/28/70/54/430287054.db2.gz DCLQMRZBBRUSJA-QGZVFWFLSA-N 1 3 321.424 2.750 20 0 DFADHO Cc1ccc(C[C@H]2CCCN(C[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000582449338 430300476 /nfs/dbraw/zinc/30/04/76/430300476.db2.gz XAUVWTJQVSBJSS-QUCCMNQESA-N 1 3 316.489 2.705 20 0 DFADHO Cc1ccc(C[C@H]2CCCN(C[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000582449338 430300478 /nfs/dbraw/zinc/30/04/78/430300478.db2.gz XAUVWTJQVSBJSS-QUCCMNQESA-N 1 3 316.489 2.705 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000568107502 430317906 /nfs/dbraw/zinc/31/79/06/430317906.db2.gz OXSJNEKHJYCUQE-FHWLQOOXSA-N 1 3 301.478 2.991 20 0 DFADHO COc1ncc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000638369369 430318602 /nfs/dbraw/zinc/31/86/02/430318602.db2.gz GNZFWUMZLMUPEQ-OKILXGFUSA-N 1 3 311.495 2.999 20 0 DFADHO COc1ncc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000638369369 430318603 /nfs/dbraw/zinc/31/86/03/430318603.db2.gz GNZFWUMZLMUPEQ-OKILXGFUSA-N 1 3 311.495 2.999 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC[C@H](OC)[C@@H]2CCOC2)c1 ZINC000638382104 430325619 /nfs/dbraw/zinc/32/56/19/430325619.db2.gz SCLYPSNNEFZGKU-MOPGFXCFSA-N 1 3 320.477 2.670 20 0 DFADHO COc1cc(C[C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)ccn1 ZINC000638390955 430326880 /nfs/dbraw/zinc/32/68/80/430326880.db2.gz MYPNYFIEWNODCD-JKSUJKDBSA-N 1 3 305.466 2.733 20 0 DFADHO COc1cc(C[C@@H](C)NC[C@H](C)C[NH+]2CCCCC2)ccn1 ZINC000638390955 430326884 /nfs/dbraw/zinc/32/68/84/430326884.db2.gz MYPNYFIEWNODCD-JKSUJKDBSA-N 1 3 305.466 2.733 20 0 DFADHO CC[C@H](COCC(F)(F)F)NC1CC[NH+](CC2CC2)CC1 ZINC000582766015 430331323 /nfs/dbraw/zinc/33/13/23/430331323.db2.gz SQHFNOJXHXXEII-CYBMUJFWSA-N 1 3 308.388 2.808 20 0 DFADHO C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)N1CCC(C)CC1 ZINC000546015699 430342675 /nfs/dbraw/zinc/34/26/75/430342675.db2.gz VYQDKZLIRZPUHZ-KRWDZBQOSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)N1CCC(C)CC1 ZINC000546015699 430342682 /nfs/dbraw/zinc/34/26/82/430342682.db2.gz VYQDKZLIRZPUHZ-KRWDZBQOSA-N 1 3 323.525 2.878 20 0 DFADHO CNC[C@](C)(O)C[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000582969368 430352515 /nfs/dbraw/zinc/35/25/15/430352515.db2.gz AINGNIYOGZVJPB-AEFFLSMTSA-N 1 3 318.486 2.900 20 0 DFADHO CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H](N)C2)cc1OCC ZINC000568415144 430358856 /nfs/dbraw/zinc/35/88/56/430358856.db2.gz IOECGFFQRFWPOA-JKSUJKDBSA-N 1 3 306.450 2.886 20 0 DFADHO CCOc1ccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000568415144 430358860 /nfs/dbraw/zinc/35/88/60/430358860.db2.gz IOECGFFQRFWPOA-JKSUJKDBSA-N 1 3 306.450 2.886 20 0 DFADHO CO[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000638521653 430367105 /nfs/dbraw/zinc/36/71/05/430367105.db2.gz NPEYHMQIANXLJW-HKUYNNGSSA-N 1 3 302.462 2.566 20 0 DFADHO CO[C@@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521653 430367109 /nfs/dbraw/zinc/36/71/09/430367109.db2.gz NPEYHMQIANXLJW-HKUYNNGSSA-N 1 3 302.462 2.566 20 0 DFADHO CO[C@@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521653 430367112 /nfs/dbraw/zinc/36/71/12/430367112.db2.gz NPEYHMQIANXLJW-HKUYNNGSSA-N 1 3 302.462 2.566 20 0 DFADHO CO[C@](C)(C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000638521280 430367749 /nfs/dbraw/zinc/36/77/49/430367749.db2.gz FBPUQDMFUZGSMM-UYAOXDASSA-N 1 3 316.489 2.956 20 0 DFADHO Cc1ncc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1C ZINC000583155673 430371142 /nfs/dbraw/zinc/37/11/42/430371142.db2.gz ZILWZPYKHMCTLI-YJBOKZPZSA-N 1 3 312.461 2.871 20 0 DFADHO CN(C)CCOc1ccc(CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000638540527 430371802 /nfs/dbraw/zinc/37/18/02/430371802.db2.gz ODCMZTWXDOOLCT-BCDXTJNWSA-N 1 3 302.462 2.805 20 0 DFADHO [NH3+]Cc1cccc2c1N(C(=O)C[C@H]1NCc3ccccc31)CCC2 ZINC000638542969 430372276 /nfs/dbraw/zinc/37/22/76/430372276.db2.gz PCJAQZPVZGHSNK-GOSISDBHSA-N 1 3 321.424 2.659 20 0 DFADHO CO[C@H](CNCC(C)(C)[NH2+][C@H](C)c1ccccc1)[C@H]1CCOC1 ZINC000638602839 430386024 /nfs/dbraw/zinc/38/60/24/430386024.db2.gz WTGPMFPHMGOYNP-BPQIPLTHSA-N 1 3 320.477 2.757 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000583369815 430388678 /nfs/dbraw/zinc/38/86/78/430388678.db2.gz OPMSNLKCBNTFGL-AWEZNQCLSA-N 1 3 318.465 2.574 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000583369815 430388682 /nfs/dbraw/zinc/38/86/82/430388682.db2.gz OPMSNLKCBNTFGL-AWEZNQCLSA-N 1 3 318.465 2.574 20 0 DFADHO COc1nccc(CNC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000568831684 430395664 /nfs/dbraw/zinc/39/56/64/430395664.db2.gz PZIBWYDDUNXODX-UHFFFAOYSA-N 1 3 318.465 2.618 20 0 DFADHO CO[C@H](CNCC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000638725667 430418714 /nfs/dbraw/zinc/41/87/14/430418714.db2.gz HEIRFMXWRIYNLX-BHIYHBOVSA-N 1 3 320.477 2.538 20 0 DFADHO CC[C@H](C)[C@@H]1CCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000583557712 430405935 /nfs/dbraw/zinc/40/59/35/430405935.db2.gz XFCYRFAJEHMFRH-WMZOPIPTSA-N 1 3 323.525 2.876 20 0 DFADHO CC(C)N1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548064641 430443378 /nfs/dbraw/zinc/44/33/78/430443378.db2.gz RJLBKQMMOPVMBG-INIZCTEOSA-N 1 3 309.498 2.630 20 0 DFADHO CC(C)N1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548064641 430443380 /nfs/dbraw/zinc/44/33/80/430443380.db2.gz RJLBKQMMOPVMBG-INIZCTEOSA-N 1 3 309.498 2.630 20 0 DFADHO C[NH2+]CCCC(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638850390 430454720 /nfs/dbraw/zinc/45/47/20/430454720.db2.gz DZFRYJUJRACAGK-SFHVURJKSA-N 1 3 317.477 2.547 20 0 DFADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2NCCCC2(C)C)CC1 ZINC000638862342 430459843 /nfs/dbraw/zinc/45/98/43/430459843.db2.gz SOBQNRJYUFKJLJ-MRXNPFEDSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548393082 430468239 /nfs/dbraw/zinc/46/82/39/430468239.db2.gz KNXUMFBEIWQEPX-WMZOPIPTSA-N 1 3 321.509 2.584 20 0 DFADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548393082 430468244 /nfs/dbraw/zinc/46/82/44/430468244.db2.gz KNXUMFBEIWQEPX-WMZOPIPTSA-N 1 3 321.509 2.584 20 0 DFADHO CO[C@H](CNCC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000638725667 430418716 /nfs/dbraw/zinc/41/87/16/430418716.db2.gz HEIRFMXWRIYNLX-BHIYHBOVSA-N 1 3 320.477 2.538 20 0 DFADHO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H](C)N1CCCCCC1 ZINC000547798652 430423409 /nfs/dbraw/zinc/42/34/09/430423409.db2.gz NVLNEGHLWSEEKW-IRXDYDNUSA-N 1 3 309.498 2.584 20 0 DFADHO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H](C)N1CCCCCC1 ZINC000547798652 430423412 /nfs/dbraw/zinc/42/34/12/430423412.db2.gz NVLNEGHLWSEEKW-IRXDYDNUSA-N 1 3 309.498 2.584 20 0 DFADHO CCN(C[C@@H]1CCCN1CC)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000583789578 430428137 /nfs/dbraw/zinc/42/81/37/430428137.db2.gz NNIDXWRHEMVVTF-ZWKOTPCHSA-N 1 3 321.509 2.726 20 0 DFADHO CCN(C[C@@H]1CCCN1CC)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000583789578 430428139 /nfs/dbraw/zinc/42/81/39/430428139.db2.gz NNIDXWRHEMVVTF-ZWKOTPCHSA-N 1 3 321.509 2.726 20 0 DFADHO C[C@@H]([NH2+]Cc1c[nH]c2ncncc12)[C@@H]1CCCN(C2CCC2)C1 ZINC000638970673 430483548 /nfs/dbraw/zinc/48/35/48/430483548.db2.gz MVRSTXKNVQPFLV-ZIAGYGMSSA-N 1 3 313.449 2.652 20 0 DFADHO C[C@H]([NH2+]Cc1c[nH]c2ncncc12)[C@@H]1CCCN(C2CCC2)C1 ZINC000638970672 430484090 /nfs/dbraw/zinc/48/40/90/430484090.db2.gz MVRSTXKNVQPFLV-UONOGXRCSA-N 1 3 313.449 2.652 20 0 DFADHO COc1cc(C[C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)ccn1 ZINC000639036906 430497981 /nfs/dbraw/zinc/49/79/81/430497981.db2.gz DLEJZJQCRLBCRJ-HZPDHXFCSA-N 1 3 305.466 2.875 20 0 DFADHO COc1cc(C[C@@H](C)NCC[C@@H](C)[NH+]2CCCCC2)ccn1 ZINC000639036906 430497984 /nfs/dbraw/zinc/49/79/84/430497984.db2.gz DLEJZJQCRLBCRJ-HZPDHXFCSA-N 1 3 305.466 2.875 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)N2CCCCC2)[C@]12CCCO2 ZINC000639037233 430499600 /nfs/dbraw/zinc/49/96/00/430499600.db2.gz HAZVEIFVRFFSRX-WNRNVDISSA-N 1 3 310.482 2.567 20 0 DFADHO Cc1nccn1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000570125987 430515778 /nfs/dbraw/zinc/51/57/78/430515778.db2.gz XMMCTSWUPBQWHI-ACDBMABISA-N 1 3 324.472 2.977 20 0 DFADHO Cc1nccn1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000570125987 430515784 /nfs/dbraw/zinc/51/57/84/430515784.db2.gz XMMCTSWUPBQWHI-ACDBMABISA-N 1 3 324.472 2.977 20 0 DFADHO Cc1nccn1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000570125987 430515787 /nfs/dbraw/zinc/51/57/87/430515787.db2.gz XMMCTSWUPBQWHI-ACDBMABISA-N 1 3 324.472 2.977 20 0 DFADHO Cc1ncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)n1C ZINC000570175406 430520350 /nfs/dbraw/zinc/52/03/50/430520350.db2.gz CPNNMYZEWMHKOY-HNAYVOBHSA-N 1 3 312.461 2.729 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000642630960 430522297 /nfs/dbraw/zinc/52/22/97/430522297.db2.gz SHQHVKPJJNYCOC-RYQLBKOJSA-N 1 3 315.461 2.929 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000642630960 430522302 /nfs/dbraw/zinc/52/23/02/430522302.db2.gz SHQHVKPJJNYCOC-RYQLBKOJSA-N 1 3 315.461 2.929 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000570411069 430541808 /nfs/dbraw/zinc/54/18/08/430541808.db2.gz TWAYQFLYGXXVHM-SJORKVTESA-N 1 3 306.425 2.733 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000570411069 430541810 /nfs/dbraw/zinc/54/18/10/430541810.db2.gz TWAYQFLYGXXVHM-SJORKVTESA-N 1 3 306.425 2.733 20 0 DFADHO Cc1scc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1C ZINC000639170812 430553032 /nfs/dbraw/zinc/55/30/32/430553032.db2.gz ZMJHCFQUHHAJFD-UHFFFAOYSA-N 1 3 309.523 2.823 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCCNC1 ZINC000570792551 430576320 /nfs/dbraw/zinc/57/63/20/430576320.db2.gz KCOZRLAXSSLFMN-UONOGXRCSA-N 1 3 304.434 2.671 20 0 DFADHO C[C@H](NCC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]C1 ZINC000570792551 430576329 /nfs/dbraw/zinc/57/63/29/430576329.db2.gz KCOZRLAXSSLFMN-UONOGXRCSA-N 1 3 304.434 2.671 20 0 DFADHO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCNCC[C@@H]3C)c2c1 ZINC000643453907 430601931 /nfs/dbraw/zinc/60/19/31/430601931.db2.gz HACJMPCPGGYYFE-SUMWQHHRSA-N 1 3 301.434 2.697 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCCCC3)CC2)CC1 ZINC000552818907 430602117 /nfs/dbraw/zinc/60/21/17/430602117.db2.gz LCIBRKWEXXMJRX-UHFFFAOYSA-N 1 3 321.509 2.585 20 0 DFADHO CC(C)=CCC[C@@H](C)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000552279007 430592613 /nfs/dbraw/zinc/59/26/13/430592613.db2.gz YYCUQOBAQYBDJW-QGZVFWFLSA-N 1 3 309.498 2.703 20 0 DFADHO CC(C)[N@@H+]1CC[C@H](CNCc2ccccc2-c2ccnn2C)C1 ZINC000552244104 430593415 /nfs/dbraw/zinc/59/34/15/430593415.db2.gz VFKMEXGVRZCZNG-MRXNPFEDSA-N 1 3 312.461 2.907 20 0 DFADHO CC(C)[N@H+]1CC[C@H](CNCc2ccccc2-c2ccnn2C)C1 ZINC000552244104 430593417 /nfs/dbraw/zinc/59/34/17/430593417.db2.gz VFKMEXGVRZCZNG-MRXNPFEDSA-N 1 3 312.461 2.907 20 0 DFADHO CC(C)N1CC[C@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000552244104 430593422 /nfs/dbraw/zinc/59/34/22/430593422.db2.gz VFKMEXGVRZCZNG-MRXNPFEDSA-N 1 3 312.461 2.907 20 0 DFADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)N1CCCCCC1 ZINC000552336416 430594565 /nfs/dbraw/zinc/59/45/65/430594565.db2.gz CJIPCHKADLFYCZ-IRXDYDNUSA-N 1 3 309.498 2.632 20 0 DFADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)N1CCCCCC1 ZINC000552336416 430594568 /nfs/dbraw/zinc/59/45/68/430594568.db2.gz CJIPCHKADLFYCZ-IRXDYDNUSA-N 1 3 309.498 2.632 20 0 DFADHO CC[C@@H](C)[C@@H](CNC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)OC ZINC000639286855 430598444 /nfs/dbraw/zinc/59/84/44/430598444.db2.gz UZBZSJXYYTZAHX-OQIJWPOYSA-N 1 3 304.478 2.983 20 0 DFADHO CC[C@@H](C)[C@@H](CNC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)OC ZINC000639286855 430598445 /nfs/dbraw/zinc/59/84/45/430598445.db2.gz UZBZSJXYYTZAHX-OQIJWPOYSA-N 1 3 304.478 2.983 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+]CCC[C@H]3CCO3)cc2)CC1 ZINC000639147398 430543732 /nfs/dbraw/zinc/54/37/32/430543732.db2.gz SHESUGTZCRURSJ-KRWDZBQOSA-N 1 3 318.461 2.818 20 0 DFADHO COc1ccc(COCCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000643064215 430547155 /nfs/dbraw/zinc/54/71/55/430547155.db2.gz XLPGSNNYAFOHBL-HKUYNNGSSA-N 1 3 318.461 2.676 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)NCCN2CC[C@H](C)C2)cc1 ZINC000554800615 430652708 /nfs/dbraw/zinc/65/27/08/430652708.db2.gz WVMHTUZHTZXUJE-INIZCTEOSA-N 1 3 317.477 2.600 20 0 DFADHO C[C@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000643462966 430604123 /nfs/dbraw/zinc/60/41/23/430604123.db2.gz UQHFBPUKQPDTNG-KCQAQPDRSA-N 1 3 309.404 2.521 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1CCCNC1 ZINC000643462966 430604125 /nfs/dbraw/zinc/60/41/25/430604125.db2.gz UQHFBPUKQPDTNG-KCQAQPDRSA-N 1 3 309.404 2.521 20 0 DFADHO C[C@@H]1[C@@H](NC[C@@H]2CCCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000643502240 430610122 /nfs/dbraw/zinc/61/01/22/430610122.db2.gz AVAVLHIHALQQFA-NEWSRXKRSA-N 1 3 301.478 2.771 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC000553177850 430610241 /nfs/dbraw/zinc/61/02/41/430610241.db2.gz SODROYCBFTWMAN-FUHWJXTLSA-N 1 3 317.477 2.528 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000643512225 430611656 /nfs/dbraw/zinc/61/16/56/430611656.db2.gz CSJWEXVGIZSOGP-VSPZMHAVSA-N 1 3 313.445 2.536 20 0 DFADHO C[C@@H]([NH2+]C[C@H](C)N)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000643528373 430612705 /nfs/dbraw/zinc/61/27/05/430612705.db2.gz IHMXCJKTEUSERX-LSDHHAIUSA-N 1 3 324.428 2.911 20 0 DFADHO COc1ccc2c(c1)[C@@H](N[C@@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643534935 430612955 /nfs/dbraw/zinc/61/29/55/430612955.db2.gz FZOUSULWRAGPKF-DOTOQJQBSA-N 1 3 302.418 2.641 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639359631 430620404 /nfs/dbraw/zinc/62/04/04/430620404.db2.gz OLSHRRJRQOJZBL-QRQLOZEOSA-N 1 3 302.462 2.913 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000571514209 430632649 /nfs/dbraw/zinc/63/26/49/430632649.db2.gz AEBPMFVEQXSSQZ-IUODEOHRSA-N 1 3 323.868 2.955 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639454894 430643187 /nfs/dbraw/zinc/64/31/87/430643187.db2.gz JRAUKIFZXTYFMO-SFHVURJKSA-N 1 3 321.509 2.584 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639454894 430643189 /nfs/dbraw/zinc/64/31/89/430643189.db2.gz JRAUKIFZXTYFMO-SFHVURJKSA-N 1 3 321.509 2.584 20 0 DFADHO O[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC/C=C/c2ccc(Cl)cc2)C1 ZINC000643960279 430644639 /nfs/dbraw/zinc/64/46/39/430644639.db2.gz QWHHHPLXGLJRHX-MRJGYAATSA-N 1 3 320.864 2.931 20 0 DFADHO O[C@H]1CC[N@H+]([C@H]2CCC[C@H]2NC/C=C/c2ccc(Cl)cc2)C1 ZINC000643960279 430644642 /nfs/dbraw/zinc/64/46/42/430644642.db2.gz QWHHHPLXGLJRHX-MRJGYAATSA-N 1 3 320.864 2.931 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCc2cnccn2)CC1 ZINC000639471574 430648309 /nfs/dbraw/zinc/64/83/09/430648309.db2.gz CUEURQSECVQPOT-UHFFFAOYSA-N 1 3 324.472 2.863 20 0 DFADHO C[N@H+](Cc1ccccc1)CC1CCN(CCc2cnccn2)CC1 ZINC000639471574 430648312 /nfs/dbraw/zinc/64/83/12/430648312.db2.gz CUEURQSECVQPOT-UHFFFAOYSA-N 1 3 324.472 2.863 20 0 DFADHO C[C@H](NCCNc1ncc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000572234310 430677520 /nfs/dbraw/zinc/67/75/20/430677520.db2.gz RCNLGRSWCHFOAJ-WDEREUQCSA-N 1 3 317.264 2.778 20 0 DFADHO C[C@@H](NCCc1nc(-c2ccncc2)cs1)[C@@H]1CCC[NH2+]C1 ZINC000572234164 430677893 /nfs/dbraw/zinc/67/78/93/430677893.db2.gz DLCVUKYVMIWFLG-UKRRQHHQSA-N 1 3 316.474 2.725 20 0 DFADHO C[C@@H]([NH2+]CCc1nc(-c2ccncc2)cs1)[C@@H]1CCCNC1 ZINC000572234164 430677897 /nfs/dbraw/zinc/67/78/97/430677897.db2.gz DLCVUKYVMIWFLG-UKRRQHHQSA-N 1 3 316.474 2.725 20 0 DFADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000121246578 278003619 /nfs/dbraw/zinc/00/36/19/278003619.db2.gz OZWVFRDXBJXSTR-RZFLPCETSA-N 1 3 306.494 2.902 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000121246578 278003620 /nfs/dbraw/zinc/00/36/20/278003620.db2.gz OZWVFRDXBJXSTR-RZFLPCETSA-N 1 3 306.494 2.902 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000121246578 278003621 /nfs/dbraw/zinc/00/36/21/278003621.db2.gz OZWVFRDXBJXSTR-RZFLPCETSA-N 1 3 306.494 2.902 20 0 DFADHO OC[C@H](CNC1CC[NH+](CC2CC2)CC1)c1ccccc1Cl ZINC000572551790 430690466 /nfs/dbraw/zinc/69/04/66/430690466.db2.gz LVNRLHHHBNUXIK-HNNXBMFYSA-N 1 3 322.880 2.880 20 0 DFADHO OC[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1Cl ZINC000572551790 430690467 /nfs/dbraw/zinc/69/04/67/430690467.db2.gz LVNRLHHHBNUXIK-HNNXBMFYSA-N 1 3 322.880 2.880 20 0 DFADHO Fc1ccc(N2CC[C@@H](NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000556881857 430695261 /nfs/dbraw/zinc/69/52/61/430695261.db2.gz MDAIKWYXSYCPOQ-GOSISDBHSA-N 1 3 317.452 2.868 20 0 DFADHO C[C@H]1CCCCN1CCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000237504834 278332301 /nfs/dbraw/zinc/33/23/01/278332301.db2.gz VHSHEMPFMLPUSM-AWEZNQCLSA-N 1 3 321.431 2.867 20 0 DFADHO CN1CCCN(CCC[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000644382413 430726479 /nfs/dbraw/zinc/72/64/79/430726479.db2.gz YJXWPWHEWITIAM-UHFFFAOYSA-N 1 3 315.505 2.683 20 0 DFADHO O=C(CCNC1CC[NH+](C2CCC2)CC1)Nc1ccccc1F ZINC000644663833 430782463 /nfs/dbraw/zinc/78/24/63/430782463.db2.gz VUCKYXPOAQLDDY-UHFFFAOYSA-N 1 3 319.424 2.761 20 0 DFADHO c1n[nH]cc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657772077 430733552 /nfs/dbraw/zinc/73/35/52/430733552.db2.gz RCSKKNLJDKZKFI-GOSISDBHSA-N 1 3 310.445 2.802 20 0 DFADHO CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCN(C)C)c2)CCO1 ZINC000648427718 430782973 /nfs/dbraw/zinc/78/29/73/430782973.db2.gz TUDYAEPSMOMTLW-DLBZAZTESA-N 1 3 306.450 2.674 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H](C3CC3)C3CCCC3)C2)CC1 ZINC000651228288 430743701 /nfs/dbraw/zinc/74/37/01/430743701.db2.gz JXEXYSMLDHYNJP-PKOBYXMFSA-N 1 3 305.510 2.713 20 0 DFADHO CC[NH+]1CCC(CN[C@@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000644538133 430748024 /nfs/dbraw/zinc/74/80/24/430748024.db2.gz SGDGATSBNUBFKB-MRXNPFEDSA-N 1 3 305.470 2.748 20 0 DFADHO COC[C@@H](CC1CCOCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000657899946 430762905 /nfs/dbraw/zinc/76/29/05/430762905.db2.gz DZNPXEVESJZIDH-GOSISDBHSA-N 1 3 324.509 2.815 20 0 DFADHO O[C@@H](C[NH2+]CC1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000644618179 430771908 /nfs/dbraw/zinc/77/19/08/430771908.db2.gz NDZSYDXMCVJSKV-IBGZPJMESA-N 1 3 317.477 2.829 20 0 DFADHO CC(C)(CNCCC(=O)Nc1ccccc1F)C[NH+]1CCCC1 ZINC000644632066 430775711 /nfs/dbraw/zinc/77/57/11/430775711.db2.gz VBUJAAGCSRBKOP-UHFFFAOYSA-N 1 3 321.440 2.866 20 0 DFADHO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1F)CN1CCCC1 ZINC000644632066 430775718 /nfs/dbraw/zinc/77/57/18/430775718.db2.gz VBUJAAGCSRBKOP-UHFFFAOYSA-N 1 3 321.440 2.866 20 0 DFADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@@H]1C[C@H]1c1ccccc1 ZINC000644637907 430776067 /nfs/dbraw/zinc/77/60/67/430776067.db2.gz XETYRAAYJBCFCI-HSALFYBXSA-N 1 3 310.441 2.625 20 0 DFADHO C[N@H+](Cc1ccccc1)C[C@H](O)CN[C@@H]1C[C@H]1c1ccccc1 ZINC000644637907 430776071 /nfs/dbraw/zinc/77/60/71/430776071.db2.gz XETYRAAYJBCFCI-HSALFYBXSA-N 1 3 310.441 2.625 20 0 DFADHO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658139294 430824036 /nfs/dbraw/zinc/82/40/36/430824036.db2.gz QMCCFDTWXAFWQY-HNAYVOBHSA-N 1 3 314.429 2.567 20 0 DFADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CCCOC1 ZINC000658167291 430834134 /nfs/dbraw/zinc/83/41/34/430834134.db2.gz RKIBHPIWQWNYJW-LPHOPBHVSA-N 1 3 317.477 2.698 20 0 DFADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)[C@H]1CCOC1 ZINC000658074552 430799339 /nfs/dbraw/zinc/79/93/39/430799339.db2.gz UDCPYECLWKNKGN-RNIPGJKVSA-N 1 3 324.509 2.671 20 0 DFADHO CO[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)[C@H]1CCOC1 ZINC000658074552 430799343 /nfs/dbraw/zinc/79/93/43/430799343.db2.gz UDCPYECLWKNKGN-RNIPGJKVSA-N 1 3 324.509 2.671 20 0 DFADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[C@@H]1CCOC1 ZINC000658074550 430799394 /nfs/dbraw/zinc/79/93/94/430799394.db2.gz UDCPYECLWKNKGN-PSBWJHGTSA-N 1 3 324.509 2.671 20 0 DFADHO CO[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)[C@@H]1CCOC1 ZINC000658074550 430799400 /nfs/dbraw/zinc/79/94/00/430799400.db2.gz UDCPYECLWKNKGN-PSBWJHGTSA-N 1 3 324.509 2.671 20 0 DFADHO c1cc2c(c(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)c1)CCC2 ZINC000651719110 430857619 /nfs/dbraw/zinc/85/76/19/430857619.db2.gz JQMOKUHGWBGJRK-MRXNPFEDSA-N 1 3 314.473 2.766 20 0 DFADHO [NH3+]C1(CNC2CCC3(CC2)c2ccccc2NC3=O)CCCC1 ZINC000665248864 430867893 /nfs/dbraw/zinc/86/78/93/430867893.db2.gz DRJVBTARVBFLDM-UHFFFAOYSA-N 1 3 313.445 2.680 20 0 DFADHO COc1ccc(-c2cc(CNC3CCC(C[NH3+])CC3)on2)cc1 ZINC000665261588 430874170 /nfs/dbraw/zinc/87/41/70/430874170.db2.gz HGXSGOSRTYPXPF-UHFFFAOYSA-N 1 3 315.417 2.957 20 0 DFADHO COc1ccc(-c2cc(CNC3CCC([NH3+])CC3)on2)cc1 ZINC000665262348 430875785 /nfs/dbraw/zinc/87/57/85/430875785.db2.gz ZAFHCWSVEVSIBX-UHFFFAOYSA-N 1 3 301.390 2.710 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000665266530 430877540 /nfs/dbraw/zinc/87/75/40/430877540.db2.gz DMSJUUXMDFBNMR-LRDDRELGSA-N 1 3 315.392 2.642 20 0 DFADHO OCC1CC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000658355724 430885409 /nfs/dbraw/zinc/88/54/09/430885409.db2.gz JGYNCLVJVAUWGX-DRRJLQACSA-N 1 3 314.473 2.648 20 0 DFADHO CN(C)CCOC1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000651638052 430838113 /nfs/dbraw/zinc/83/81/13/430838113.db2.gz KFEPXIVLJBOZCZ-UHFFFAOYSA-N 1 3 302.462 2.718 20 0 DFADHO COc1cc(OC)c(CNCC[C@H]2CCC[N@H+](C)C2)cc1F ZINC000651830030 430891766 /nfs/dbraw/zinc/89/17/66/430891766.db2.gz XYKIUMAPGZDMMB-CYBMUJFWSA-N 1 3 310.413 2.664 20 0 DFADHO COc1cc(OC)c(CNCC[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000651830030 430891770 /nfs/dbraw/zinc/89/17/70/430891770.db2.gz XYKIUMAPGZDMMB-CYBMUJFWSA-N 1 3 310.413 2.664 20 0 DFADHO CCC(CC)CCCN(C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000662037204 430930099 /nfs/dbraw/zinc/93/00/99/430930099.db2.gz GVSRAYWOOILNIW-UHFFFAOYSA-N 1 3 311.514 2.735 20 0 DFADHO FC1(F)Oc2ccc(CCN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2O1 ZINC000652038174 430941839 /nfs/dbraw/zinc/94/18/39/430941839.db2.gz LRMJWILURXFXIJ-UONOGXRCSA-N 1 3 324.371 2.767 20 0 DFADHO FC1(F)Oc2ccc(CCN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2O1 ZINC000652038174 430941843 /nfs/dbraw/zinc/94/18/43/430941843.db2.gz LRMJWILURXFXIJ-UONOGXRCSA-N 1 3 324.371 2.767 20 0 DFADHO COc1cccc(SCCN2CCC(OCCC[NH3+])CC2)c1 ZINC000662247231 431012341 /nfs/dbraw/zinc/01/23/41/431012341.db2.gz DFCSZODBGXEBJE-UHFFFAOYSA-N 1 3 324.490 2.617 20 0 DFADHO COc1ccccc1[C@H]1CCCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258504 431020478 /nfs/dbraw/zinc/02/04/78/431020478.db2.gz VOALQPCFQNFXJG-NVXWUHKLSA-N 1 3 316.445 2.743 20 0 DFADHO Cc1cnn([C@H]2CCCN(Cc3cccc4c3CC[NH2+]C4)C2)c1 ZINC000662262422 431022184 /nfs/dbraw/zinc/02/21/84/431022184.db2.gz FKKBORCUULJXDD-SFHVURJKSA-N 1 3 310.445 2.674 20 0 DFADHO NC[C@@H]1C[N@H+](CC[C@H]2CCc3ccccc32)CC12CCOCC2 ZINC000662272644 431027658 /nfs/dbraw/zinc/02/76/58/431027658.db2.gz GNLQVJLCDDHAIB-QZTJIDSGSA-N 1 3 314.473 2.794 20 0 DFADHO NC[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CC12CCOCC2 ZINC000662272644 431027661 /nfs/dbraw/zinc/02/76/61/431027661.db2.gz GNLQVJLCDDHAIB-QZTJIDSGSA-N 1 3 314.473 2.794 20 0 DFADHO CC(C)c1cccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000662271998 431028210 /nfs/dbraw/zinc/02/82/10/431028210.db2.gz AZSUHXFMVCMCFS-GOSISDBHSA-N 1 3 302.462 2.997 20 0 DFADHO NC[C@]12CCC[C@H]1C[N@H+](CCCOCCc1ccccc1)C2 ZINC000652351788 431028293 /nfs/dbraw/zinc/02/82/93/431028293.db2.gz WYDIPHGEWVEGHF-OALUTQOASA-N 1 3 302.462 2.697 20 0 DFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCCOCCc1ccccc1)C2 ZINC000652351788 431028297 /nfs/dbraw/zinc/02/82/97/431028297.db2.gz WYDIPHGEWVEGHF-OALUTQOASA-N 1 3 302.462 2.697 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000655494839 431029450 /nfs/dbraw/zinc/02/94/50/431029450.db2.gz OQNPSIBNUDOSON-NVXWUHKLSA-N 1 3 317.477 2.655 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2NCC2(C)C)cc1 ZINC000645551000 431030525 /nfs/dbraw/zinc/03/05/25/431030525.db2.gz CGMGGVMORNYBPO-RHSMWYFYSA-N 1 3 315.461 2.998 20 0 DFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2NCC2(C)C)cc1 ZINC000645551000 431030530 /nfs/dbraw/zinc/03/05/30/431030530.db2.gz CGMGGVMORNYBPO-RHSMWYFYSA-N 1 3 315.461 2.998 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCOc2ccc(F)cc2)C1 ZINC000652360790 431032174 /nfs/dbraw/zinc/03/21/74/431032174.db2.gz QJSNTBUHJWKBAN-NXHRZFHOSA-N 1 3 322.424 2.565 20 0 DFADHO c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662281709 431033662 /nfs/dbraw/zinc/03/36/62/431033662.db2.gz LCYPJYUNYBEYSZ-RCCFBDPRSA-N 1 3 300.446 2.508 20 0 DFADHO COc1ccccc1OCCN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291366 431036317 /nfs/dbraw/zinc/03/63/17/431036317.db2.gz FQXPBTJEGSTISJ-QGZVFWFLSA-N 1 3 318.461 2.786 20 0 DFADHO CC1(C)CN[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000645673797 431047618 /nfs/dbraw/zinc/04/76/18/431047618.db2.gz IRQHEBHMEZZEHA-QGZVFWFLSA-N 1 3 315.461 2.652 20 0 DFADHO c1cc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c2c(c1)CNCC2 ZINC000662327797 431049351 /nfs/dbraw/zinc/04/93/51/431049351.db2.gz VPAZZKLTLQPUNK-BGYRXZFFSA-N 1 3 312.457 2.725 20 0 DFADHO c1cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c2c(c1)CNCC2 ZINC000662327797 431049354 /nfs/dbraw/zinc/04/93/54/431049354.db2.gz VPAZZKLTLQPUNK-BGYRXZFFSA-N 1 3 312.457 2.725 20 0 DFADHO Cc1ccccc1CN1CCC(NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649287988 431057529 /nfs/dbraw/zinc/05/75/29/431057529.db2.gz WWUNMUHUGKWPMB-UHFFFAOYSA-N 1 3 317.477 2.593 20 0 DFADHO Cc1ccc([C@@H](CNC(=O)CCC(C)(C)[NH3+])N2CCCC2)cc1 ZINC000649309979 431062665 /nfs/dbraw/zinc/06/26/65/431062665.db2.gz MGYOQNLXOBSXOF-QGZVFWFLSA-N 1 3 317.477 2.766 20 0 DFADHO CCOc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662248498 431012791 /nfs/dbraw/zinc/01/27/91/431012791.db2.gz DGUGUUDIMMSWBB-ZWKOTPCHSA-N 1 3 316.445 2.743 20 0 DFADHO CCOc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662248498 431012794 /nfs/dbraw/zinc/01/27/94/431012794.db2.gz DGUGUUDIMMSWBB-ZWKOTPCHSA-N 1 3 316.445 2.743 20 0 DFADHO CN(Cc1csc2ccccc12)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248955 431013004 /nfs/dbraw/zinc/01/30/04/431013004.db2.gz MKWFJZKWZUPOSD-CQSZACIVSA-N 1 3 302.443 2.854 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662244447 431014026 /nfs/dbraw/zinc/01/40/26/431014026.db2.gz GXDDKYJCPVOBKY-DGCLKSJQSA-N 1 3 312.360 2.610 20 0 DFADHO OCCN(Cc1cccc2c1CC[NH2+]C2)[C@H]1CCc2ccccc21 ZINC000662254235 431015615 /nfs/dbraw/zinc/01/56/15/431015615.db2.gz GBFCEVMAYYINTO-NRFANRHFSA-N 1 3 322.452 2.814 20 0 DFADHO C[C@@H](O)C[N@H+](Cc1cccc2c1CCNC2)C1CCCCC1 ZINC000662256098 431015675 /nfs/dbraw/zinc/01/56/75/431015675.db2.gz GCNFHZLRFCARCU-OAHLLOKOSA-N 1 3 302.462 2.848 20 0 DFADHO C[C@@H](O)C[N@@H+](Cc1cccc2c1CCNC2)C1CCCCC1 ZINC000662256098 431015678 /nfs/dbraw/zinc/01/56/78/431015678.db2.gz GCNFHZLRFCARCU-OAHLLOKOSA-N 1 3 302.462 2.848 20 0 DFADHO c1ccc(SC[C@H]2CC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256352 431018009 /nfs/dbraw/zinc/01/80/09/431018009.db2.gz IMJLILDXSCJXNX-HOTGVXAUSA-N 1 3 318.486 2.622 20 0 DFADHO c1ccc(SC[C@H]2CC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256352 431018016 /nfs/dbraw/zinc/01/80/16/431018016.db2.gz IMJLILDXSCJXNX-HOTGVXAUSA-N 1 3 318.486 2.622 20 0 DFADHO Cc1ccc(C[NH+](C)C)cc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000655752179 431117695 /nfs/dbraw/zinc/11/76/95/431117695.db2.gz NFNPNZWVXAKXMJ-GOSISDBHSA-N 1 3 317.477 2.722 20 0 DFADHO CC[C@H](NC)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000662400271 431070653 /nfs/dbraw/zinc/07/06/53/431070653.db2.gz PTXRVEZCFVGSHJ-KRWDZBQOSA-N 1 3 303.450 2.652 20 0 DFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c2CNC3)C1 ZINC000662401812 431073077 /nfs/dbraw/zinc/07/30/77/431073077.db2.gz BMDUGPFNEBRMQU-AWEZNQCLSA-N 1 3 315.461 2.530 20 0 DFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc3c2CNC3)C1 ZINC000662401812 431073081 /nfs/dbraw/zinc/07/30/81/431073081.db2.gz BMDUGPFNEBRMQU-AWEZNQCLSA-N 1 3 315.461 2.530 20 0 DFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000362627143 278973682 /nfs/dbraw/zinc/97/36/82/278973682.db2.gz MLNDQCQBRCVMDZ-IRXDYDNUSA-N 1 3 311.514 2.589 20 0 DFADHO c1cc(CN2CCN(CCCC3CC[NH2+]CC3)CC2)cs1 ZINC000649411382 431093501 /nfs/dbraw/zinc/09/35/01/431093501.db2.gz PVHCSBSZGSXOFZ-UHFFFAOYSA-N 1 3 307.507 2.646 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662587493 431125979 /nfs/dbraw/zinc/12/59/79/431125979.db2.gz GBPFTOLQDRYYRU-ZWKOTPCHSA-N 1 3 321.509 2.522 20 0 DFADHO Cc1nn(-c2ccccc2F)cc1CNCC1CC[NH+](C)CC1 ZINC000655729929 431103760 /nfs/dbraw/zinc/10/37/60/431103760.db2.gz PZWDUVMOAXJHSS-UHFFFAOYSA-N 1 3 316.424 2.751 20 0 DFADHO [NH3+][C@H](CCC(=O)N[C@@H]1CCN(CC2CC2)C1)CC1CCCCC1 ZINC000645953391 431129144 /nfs/dbraw/zinc/12/91/44/431129144.db2.gz RSPFGIRLGAPXNQ-QZTJIDSGSA-N 1 3 321.509 2.665 20 0 DFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2C[C@H](C)CCN2)cc1 ZINC000261834823 279137488 /nfs/dbraw/zinc/13/74/88/279137488.db2.gz IHIYHHSULXZCGM-CRAIPNDOSA-N 1 3 317.477 2.533 20 0 DFADHO CC(C)C[C@H](C[NH2+]CC1(O)CCN(C)CC1)c1ccccc1 ZINC000354428052 279162822 /nfs/dbraw/zinc/16/28/22/279162822.db2.gz VXASNFXLCRCSPC-GOSISDBHSA-N 1 3 304.478 2.863 20 0 DFADHO C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000662694011 431164137 /nfs/dbraw/zinc/16/41/37/431164137.db2.gz NODVEPDOLDFCDQ-CABCVRRESA-N 1 3 303.450 2.557 20 0 DFADHO CN1CCC[C@@H](CNC(=O)CC2([NH3+])CCC2)[C@H]1c1cccs1 ZINC000646071308 431167982 /nfs/dbraw/zinc/16/79/82/431167982.db2.gz OUCZWOIKBNKDKJ-BBRMVZONSA-N 1 3 321.490 2.519 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000646073976 431172309 /nfs/dbraw/zinc/17/23/09/431172309.db2.gz MRAXYWYEUISECR-AQNXPRMDSA-N 1 3 316.489 2.929 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000646073976 431172314 /nfs/dbraw/zinc/17/23/14/431172314.db2.gz MRAXYWYEUISECR-AQNXPRMDSA-N 1 3 316.489 2.929 20 0 DFADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@@H]3CCC[C@H](O)C3)C2)CC1 ZINC000659865823 431157033 /nfs/dbraw/zinc/15/70/33/431157033.db2.gz QJQSEFVMZWIRLL-QYZOEREBSA-N 1 3 308.510 2.981 20 0 DFADHO CC1CCN(C[C@@H]2CCC[N@H+](C[C@@H]3CCC[C@H](O)C3)C2)CC1 ZINC000659865823 431157037 /nfs/dbraw/zinc/15/70/37/431157037.db2.gz QJQSEFVMZWIRLL-QYZOEREBSA-N 1 3 308.510 2.981 20 0 DFADHO CC1CCN(C[C@@H]2CCC[N@@H+](C[C@@H]3CCC[C@H](O)C3)C2)CC1 ZINC000659865823 431157044 /nfs/dbraw/zinc/15/70/44/431157044.db2.gz QJQSEFVMZWIRLL-QYZOEREBSA-N 1 3 308.510 2.981 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662683411 431161040 /nfs/dbraw/zinc/16/10/40/431161040.db2.gz NTFZSPDBUODYPP-HOTGVXAUSA-N 1 3 321.509 2.535 20 0 DFADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655907888 431213939 /nfs/dbraw/zinc/21/39/39/431213939.db2.gz PIEQXQZOWFSIAT-IAGOWNOFSA-N 1 3 316.449 2.544 20 0 DFADHO CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000646193828 431224058 /nfs/dbraw/zinc/22/40/58/431224058.db2.gz BAWBGPHSAAZCLB-IAGOWNOFSA-N 1 3 321.509 2.761 20 0 DFADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)[C@H](C)O1 ZINC000666429290 431228041 /nfs/dbraw/zinc/22/80/41/431228041.db2.gz KWHGEMNLNVWXGI-VYDXJSESSA-N 1 3 306.450 2.530 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@@H](O)C(C)C ZINC000666446719 431233393 /nfs/dbraw/zinc/23/33/93/431233393.db2.gz JNKLACXSVUVFRR-ROUUACIJSA-N 1 3 308.466 2.512 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000660066383 431256254 /nfs/dbraw/zinc/25/62/54/431256254.db2.gz ZHZCXQOZSWZEKY-ZWKOTPCHSA-N 1 3 308.441 2.958 20 0 DFADHO Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCOCC1 ZINC000656197402 431306084 /nfs/dbraw/zinc/30/60/84/431306084.db2.gz HDHOKNHYWIJRQP-IAGOWNOFSA-N 1 3 302.462 2.903 20 0 DFADHO CCOCCOCc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000656197191 431306152 /nfs/dbraw/zinc/30/61/52/431306152.db2.gz MLJUBTLMQXQQPT-ROUUACIJSA-N 1 3 306.450 2.599 20 0 DFADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NCc1nccn1Cc1ccccc1 ZINC000666820919 431371255 /nfs/dbraw/zinc/37/12/55/431371255.db2.gz TVBPLUYFLGQQMI-ZVBHREPYSA-N 1 3 324.472 2.927 20 0 DFADHO CN1CCN(CCC[NH+]2CCCCC2)[C@@H](Cc2ccccc2)C1 ZINC000649828062 431321053 /nfs/dbraw/zinc/32/10/53/431321053.db2.gz BPSASGAWNGWWQJ-FQEVSTJZSA-N 1 3 315.505 2.721 20 0 DFADHO C[NH+](C)Cc1ccc(NC2CCN([C@@H]3CCOC3)CC2)c(F)c1 ZINC000656263533 431343529 /nfs/dbraw/zinc/34/35/29/431343529.db2.gz LLSHIZKKIPMDJR-MRXNPFEDSA-N 1 3 321.440 2.553 20 0 DFADHO C[C@H](NCCO[C@H]1CC1(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256398 431344520 /nfs/dbraw/zinc/34/45/20/431344520.db2.gz LUATZTFUKBPLSK-GUTXKFCHSA-N 1 3 302.409 2.653 20 0 DFADHO C[C@H](NCCO[C@H]1CC1(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256398 431344526 /nfs/dbraw/zinc/34/45/26/431344526.db2.gz LUATZTFUKBPLSK-GUTXKFCHSA-N 1 3 302.409 2.653 20 0 DFADHO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)[C@@H]1CCCN(C2CCC2)C1 ZINC000660256398 431344537 /nfs/dbraw/zinc/34/45/37/431344537.db2.gz LUATZTFUKBPLSK-GUTXKFCHSA-N 1 3 302.409 2.653 20 0 DFADHO CC(C)CNC(=O)CCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000660256003 431345862 /nfs/dbraw/zinc/34/58/62/431345862.db2.gz HNAIASHCISRPFK-SJORKVTESA-N 1 3 323.525 2.781 20 0 DFADHO c1cc(N2CCC([NH2+][C@H](C3CC3)[C@H]3CCCCO3)CC2)ccn1 ZINC000656267887 431345977 /nfs/dbraw/zinc/34/59/77/431345977.db2.gz MESKBXFWFLPZHE-RTBURBONSA-N 1 3 315.461 2.988 20 0 DFADHO CC(C)c1nc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccn21 ZINC000656270107 431348464 /nfs/dbraw/zinc/34/84/64/431348464.db2.gz YSADTHRGZZDQKV-GASCZTMLSA-N 1 3 300.450 2.888 20 0 DFADHO CC(C)[N@H+](C)C[C@@H](O)CNC1(Cc2ccccc2)CCCC1 ZINC000660276656 431354189 /nfs/dbraw/zinc/35/41/89/431354189.db2.gz RLZCYPZTDWZSML-SFHVURJKSA-N 1 3 304.478 2.833 20 0 DFADHO CC(C)[N@@H+](C)C[C@@H](O)CNC1(Cc2ccccc2)CCCC1 ZINC000660276656 431354197 /nfs/dbraw/zinc/35/41/97/431354197.db2.gz RLZCYPZTDWZSML-SFHVURJKSA-N 1 3 304.478 2.833 20 0 DFADHO CC(C)c1cccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000663326405 431367063 /nfs/dbraw/zinc/36/70/63/431367063.db2.gz IYIUGIYQGYHCPK-UHFFFAOYSA-N 1 3 303.494 2.926 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000653525836 431420583 /nfs/dbraw/zinc/42/05/83/431420583.db2.gz INIBHCIDVBNFDU-MOPGFXCFSA-N 1 3 304.478 2.562 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000653525836 431420587 /nfs/dbraw/zinc/42/05/87/431420587.db2.gz INIBHCIDVBNFDU-MOPGFXCFSA-N 1 3 304.478 2.562 20 0 DFADHO Brc1ccc(CN[C@H]2CC23CC[NH2+]CC3)s1 ZINC000666952524 431422443 /nfs/dbraw/zinc/42/24/43/431422443.db2.gz ZQCVAFDGBUYKDD-JTQLQIEISA-N 1 3 301.253 2.742 20 0 DFADHO CC[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000663369224 431390319 /nfs/dbraw/zinc/39/03/19/431390319.db2.gz ZESZMGJRWMQRDA-MSOLQXFVSA-N 1 3 302.462 2.649 20 0 DFADHO CC(C)[C@@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)N(C)C ZINC000278281356 279792811 /nfs/dbraw/zinc/79/28/11/279792811.db2.gz PXVVBLHYJZOUTO-ROUUACIJSA-N 1 3 313.445 2.542 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995390 431438025 /nfs/dbraw/zinc/43/80/25/431438025.db2.gz MRKKDIDIJBFNRC-NZSAHSFTSA-N 1 3 313.489 2.771 20 0 DFADHO CCc1ccccc1[C@H](N)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000647084390 431456742 /nfs/dbraw/zinc/45/67/42/431456742.db2.gz WPVZNUQWDGXZGG-FUHWJXTLSA-N 1 3 317.477 2.630 20 0 DFADHO CCc1ccccc1[C@H](N)CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000647084390 431456750 /nfs/dbraw/zinc/45/67/50/431456750.db2.gz WPVZNUQWDGXZGG-FUHWJXTLSA-N 1 3 317.477 2.630 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCOCCF)CC1 ZINC000663462001 431428891 /nfs/dbraw/zinc/42/88/91/431428891.db2.gz SCMDQPUZJWPTIE-MRXNPFEDSA-N 1 3 308.441 2.658 20 0 DFADHO COc1cnccc1[C@@H](C)NC1CCN(c2cc[nH+]cc2)CC1 ZINC000656570380 431432130 /nfs/dbraw/zinc/43/21/30/431432130.db2.gz LSFPSOOMJZXWSZ-CQSZACIVSA-N 1 3 312.417 2.805 20 0 DFADHO CN1CC[C@@]2(CC[N@H+](CCc3nsc4ccccc43)C2)C1 ZINC000660616314 431518130 /nfs/dbraw/zinc/51/81/30/431518130.db2.gz JNZRGKXTVHVFLI-QGZVFWFLSA-N 1 3 301.459 2.866 20 0 DFADHO CN1CC[C@@]2(CC[N@@H+](CCc3nsc4ccccc43)C2)C1 ZINC000660616314 431518135 /nfs/dbraw/zinc/51/81/35/431518135.db2.gz JNZRGKXTVHVFLI-QGZVFWFLSA-N 1 3 301.459 2.866 20 0 DFADHO COc1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c(OC)c1 ZINC000656783871 431519102 /nfs/dbraw/zinc/51/91/02/431519102.db2.gz AYIOXJZMYAUWSX-INIZCTEOSA-N 1 3 318.461 2.915 20 0 DFADHO Cc1ccc2ncc(CN3CCC([C@H]4CCC[NH2+]C4)CC3)n2c1 ZINC000656784509 431520916 /nfs/dbraw/zinc/52/09/16/431520916.db2.gz BPCOCFBYBFPEND-KRWDZBQOSA-N 1 3 312.461 2.854 20 0 DFADHO CCN1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000647177183 431496592 /nfs/dbraw/zinc/49/65/92/431496592.db2.gz OUXJTHFFYNVXFQ-OAHLLOKOSA-N 1 3 316.449 2.810 20 0 DFADHO Cc1ccc(-c2nn(C)cc2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)o1 ZINC000647214985 431512990 /nfs/dbraw/zinc/51/29/90/431512990.db2.gz AUWNWFXABSKEEK-MQVJKMGUSA-N 1 3 314.433 2.703 20 0 DFADHO CC(C)c1ccc(CN2CCC(C[NH+](C)C)CC2)c(O)c(=O)c1 ZINC000663831738 431558395 /nfs/dbraw/zinc/55/83/95/431558395.db2.gz YAJFJGRALPZASX-UHFFFAOYSA-N 1 3 318.461 2.649 20 0 DFADHO CN(CCN1CCC[C@@]2(CC[N@H+](C)C2)C1)Cc1ccc(F)cc1 ZINC000660661371 431535168 /nfs/dbraw/zinc/53/51/68/431535168.db2.gz CTRZZVWZISXDII-IBGZPJMESA-N 1 3 319.468 2.675 20 0 DFADHO CN(CCN1CCC[C@@]2(CC[N@@H+](C)C2)C1)Cc1ccc(F)cc1 ZINC000660661371 431535172 /nfs/dbraw/zinc/53/51/72/431535172.db2.gz CTRZZVWZISXDII-IBGZPJMESA-N 1 3 319.468 2.675 20 0 DFADHO CCC(C)(C)[NH+]1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000653811252 431535877 /nfs/dbraw/zinc/53/58/77/431535877.db2.gz BCSICPBUZPBIKE-UHFFFAOYSA-N 1 3 303.494 2.925 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663787260 431540791 /nfs/dbraw/zinc/54/07/91/431540791.db2.gz GPXZXWICNRSXNE-MRXNPFEDSA-N 1 3 322.412 2.742 20 0 DFADHO CC[NH+]1CCC(CCN[C@@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647290595 431540837 /nfs/dbraw/zinc/54/08/37/431540837.db2.gz MFTMASRAAPDFAT-HNNXBMFYSA-N 1 3 304.482 2.992 20 0 DFADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)c2ccccc21 ZINC000278793789 280020570 /nfs/dbraw/zinc/02/05/70/280020570.db2.gz QOQSUKPLRXHMAH-ZWKOTPCHSA-N 1 3 302.462 2.917 20 0 DFADHO CC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccs1 ZINC000370633502 280197801 /nfs/dbraw/zinc/19/78/01/280197801.db2.gz HHQRNGNBQPBDIN-GOEBONIOSA-N 1 3 307.507 2.957 20 0 DFADHO CC(C)[C@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000236739628 280274544 /nfs/dbraw/zinc/27/45/44/280274544.db2.gz SLJVVCJXCFHJAM-RDJZCZTQSA-N 1 3 317.477 2.750 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3scnc3C3CC3)C2)C1 ZINC000650707744 431652853 /nfs/dbraw/zinc/65/28/53/431652853.db2.gz MGLRRVKRLOKGBG-RBSFLKMASA-N 1 3 321.490 2.739 20 0 DFADHO COc1cccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1F ZINC000650707849 431654349 /nfs/dbraw/zinc/65/43/49/431654349.db2.gz ODOJOJIOAXBQSN-YSVLISHTSA-N 1 3 322.424 2.553 20 0 DFADHO CCO[C@@H]1C[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C[C@H]1CN ZINC000650714318 431659322 /nfs/dbraw/zinc/65/93/22/431659322.db2.gz YPPCMSVVQJYNFP-LULLPPNCSA-N 1 3 302.462 2.792 20 0 DFADHO CCO[C@@H]1C[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C[C@H]1CN ZINC000650714318 431659326 /nfs/dbraw/zinc/65/93/26/431659326.db2.gz YPPCMSVVQJYNFP-LULLPPNCSA-N 1 3 302.462 2.792 20 0 DFADHO [NH3+]CC1(CCNCc2cc(Br)ccc2F)CC1 ZINC000650711985 431659459 /nfs/dbraw/zinc/65/94/59/431659459.db2.gz LSCIVRWUDHRYPD-UHFFFAOYSA-N 1 3 301.203 2.807 20 0 DFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C[C@H]1CCC[NH2+]C1 ZINC000647515489 431613677 /nfs/dbraw/zinc/61/36/77/431613677.db2.gz HRPOLKDJJOLTGM-MJGOQNOKSA-N 1 3 301.478 2.582 20 0 DFADHO Nc1ccc(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000647532609 431616935 /nfs/dbraw/zinc/61/69/35/431616935.db2.gz UCZVXDHKRMUURE-MOPGFXCFSA-N 1 3 324.472 2.666 20 0 DFADHO COc1c(O)cccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543121 431623817 /nfs/dbraw/zinc/62/38/17/431623817.db2.gz HVNCLXWGSZIZCL-CABCVRRESA-N 1 3 304.434 2.612 20 0 DFADHO CC(C)(C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000647545489 431624561 /nfs/dbraw/zinc/62/45/61/431624561.db2.gz WQSDOGOJZLOXQC-KRWDZBQOSA-N 1 3 302.462 2.652 20 0 DFADHO CC(C)(C[N@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000647545489 431624565 /nfs/dbraw/zinc/62/45/65/431624565.db2.gz WQSDOGOJZLOXQC-KRWDZBQOSA-N 1 3 302.462 2.652 20 0 DFADHO COc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC000647543429 431624627 /nfs/dbraw/zinc/62/46/27/431624627.db2.gz NHBPVISWIHUEEV-CVEARBPZSA-N 1 3 318.461 2.915 20 0 DFADHO C[C@H]1CNC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000647550718 431626936 /nfs/dbraw/zinc/62/69/36/431626936.db2.gz DQPQRXBUMRTICQ-CZUORRHYSA-N 1 3 323.431 2.517 20 0 DFADHO C[C@H]1C[NH2+]C[C@H](NC2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000647550718 431626941 /nfs/dbraw/zinc/62/69/41/431626941.db2.gz DQPQRXBUMRTICQ-CZUORRHYSA-N 1 3 323.431 2.517 20 0 DFADHO C[C@@H]1CNC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000647550716 431627224 /nfs/dbraw/zinc/62/72/24/431627224.db2.gz DQPQRXBUMRTICQ-BBRMVZONSA-N 1 3 323.431 2.517 20 0 DFADHO C[C@@H]1C[NH2+]C[C@@H](NC2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000647550716 431627228 /nfs/dbraw/zinc/62/72/28/431627228.db2.gz DQPQRXBUMRTICQ-BBRMVZONSA-N 1 3 323.431 2.517 20 0 DFADHO COC[C@H](C)Oc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000657286472 431648378 /nfs/dbraw/zinc/64/83/78/431648378.db2.gz XXRLJFKMSOLRBT-HNNXBMFYSA-N 1 3 308.466 2.778 20 0 DFADHO C[NH2+]Cc1ccccc1CN[C@@H](C)CC(=O)N1CCCCCC1 ZINC000650719528 431661776 /nfs/dbraw/zinc/66/17/76/431661776.db2.gz SRJOLIPYWDXWIE-INIZCTEOSA-N 1 3 317.477 2.677 20 0 DFADHO C[C@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657325976 431675147 /nfs/dbraw/zinc/67/51/47/431675147.db2.gz QJKLRNDALCAANR-GJZGRUSLSA-N 1 3 304.482 2.675 20 0 DFADHO C[C@H](NCCC1(C[NH3+])CC1)c1ncc(Br)cc1F ZINC000650746649 431678094 /nfs/dbraw/zinc/67/80/94/431678094.db2.gz HNSZXVCRZWEJOE-VIFPVBQESA-N 1 3 316.218 2.763 20 0 DFADHO Fc1cc(F)c(F)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1F ZINC000647789587 431686835 /nfs/dbraw/zinc/68/68/35/431686835.db2.gz HQZQDPLYZIWHDZ-IVZWLZJFSA-N 1 3 302.315 2.721 20 0 DFADHO CCCCOc1ncccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647793167 431689040 /nfs/dbraw/zinc/68/90/40/431689040.db2.gz NEWIRZOAVAXQGW-USXIJHARSA-N 1 3 303.450 2.738 20 0 DFADHO c1ccc([C@H]2C[C@@H]2CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000647801172 431693923 /nfs/dbraw/zinc/69/39/23/431693923.db2.gz QESGSDPEBKQQPJ-ZSXDVEMLSA-N 1 3 300.446 2.537 20 0 DFADHO CC(C)OCCN1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1 ZINC000647870642 431713556 /nfs/dbraw/zinc/71/35/56/431713556.db2.gz AWPSHEQPGXOIEK-UHFFFAOYSA-N 1 3 302.422 2.864 20 0 DFADHO CCOc1ccc(OCC[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000647814338 431696743 /nfs/dbraw/zinc/69/67/43/431696743.db2.gz JJJLXKPREDARBW-UHFFFAOYSA-N 1 3 304.434 2.681 20 0 DFADHO CCOc1ccc(OCC[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000647814338 431696748 /nfs/dbraw/zinc/69/67/48/431696748.db2.gz JJJLXKPREDARBW-UHFFFAOYSA-N 1 3 304.434 2.681 20 0 DFADHO CC[C@H]1C[C@@H](NCc2ccc(OCCC[NH+](C)C)cc2)CO1 ZINC000657352671 431697232 /nfs/dbraw/zinc/69/72/32/431697232.db2.gz KNNJGDXSAUPDKJ-SJORKVTESA-N 1 3 306.450 2.674 20 0 DFADHO CC[C@@H]1C[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CO1 ZINC000657358482 431700799 /nfs/dbraw/zinc/70/07/99/431700799.db2.gz WYEFDIRWHONPCT-QZTJIDSGSA-N 1 3 318.461 2.818 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(CNc3[nH+]ccc4[nH]ccc43)cc2)C1 ZINC000664234770 431709295 /nfs/dbraw/zinc/70/92/95/431709295.db2.gz AMWYJJZMKKZCQT-MRXNPFEDSA-N 1 3 322.412 2.742 20 0 DFADHO Cc1cccc2[nH]c(C[NH2+]C3CCN(CCN(C)C)CC3)cc21 ZINC000657306086 431662470 /nfs/dbraw/zinc/66/24/70/431662470.db2.gz RAYHEACWHBXFDY-UHFFFAOYSA-N 1 3 314.477 2.592 20 0 DFADHO CC[C@@H]1CN(CCC(=O)Nc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000647937433 431737831 /nfs/dbraw/zinc/73/78/31/431737831.db2.gz ZBWBEWDGWXNNBS-IUODEOHRSA-N 1 3 309.841 2.728 20 0 DFADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NC1CCCCCC1 ZINC000647975269 431761856 /nfs/dbraw/zinc/76/18/56/431761856.db2.gz TYYQAXMLQZJDPP-IAGOWNOFSA-N 1 3 321.509 2.537 20 0 DFADHO CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@H]1CC[NH2+]C1 ZINC000647881525 431716093 /nfs/dbraw/zinc/71/60/93/431716093.db2.gz CPVOARKWRLROMI-CQSZACIVSA-N 1 3 316.424 2.690 20 0 DFADHO Cc1nn(-c2ccncc2)cc1CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564706 431811376 /nfs/dbraw/zinc/81/13/76/431811376.db2.gz YSXBNGUYUPEAOO-MRXNPFEDSA-N 1 3 313.449 2.538 20 0 DFADHO Cc1nn(-c2ccncc2)cc1CN[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564706 431811380 /nfs/dbraw/zinc/81/13/80/431811380.db2.gz YSXBNGUYUPEAOO-MRXNPFEDSA-N 1 3 313.449 2.538 20 0 DFADHO Cc1nn(-c2ccncc2)cc1C[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000657564706 431811384 /nfs/dbraw/zinc/81/13/84/431811384.db2.gz YSXBNGUYUPEAOO-MRXNPFEDSA-N 1 3 313.449 2.538 20 0 DFADHO CC1CCC([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CC1 ZINC000657593689 431821089 /nfs/dbraw/zinc/82/10/89/431821089.db2.gz BJFNZFFZURUGHN-XUJQIHCRSA-N 1 3 302.462 2.922 20 0 DFADHO Cc1ccsc1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657595294 431821112 /nfs/dbraw/zinc/82/11/12/431821112.db2.gz OJXSVEFQFREJNR-QGZVFWFLSA-N 1 3 316.470 2.913 20 0 DFADHO Cc1ccsc1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657595294 431821117 /nfs/dbraw/zinc/82/11/17/431821117.db2.gz OJXSVEFQFREJNR-QGZVFWFLSA-N 1 3 316.470 2.913 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H]1CC1(C)C ZINC000657597278 431821527 /nfs/dbraw/zinc/82/15/27/431821527.db2.gz SADYJWQYYWLHCL-WBAXXEDZSA-N 1 3 302.462 2.777 20 0 DFADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CS1 ZINC000657598014 431822171 /nfs/dbraw/zinc/82/21/71/431822171.db2.gz WYSAXGJHFAYVSS-JLSDUUJJSA-N 1 3 320.502 2.627 20 0 DFADHO Cc1ncsc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613732 431825231 /nfs/dbraw/zinc/82/52/31/431825231.db2.gz QAXUYGOWGMWOLA-UHFFFAOYSA-N 1 3 316.474 2.848 20 0 DFADHO c1ccc([C@@H]2CO[C@H](CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000657657135 431833794 /nfs/dbraw/zinc/83/37/94/431833794.db2.gz WBMDWUHOMFLKGH-VJANTYMQSA-N 1 3 300.446 2.776 20 0 DFADHO c1ccc([C@@H]2CO[C@H](CN[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000657657135 431833798 /nfs/dbraw/zinc/83/37/98/431833798.db2.gz WBMDWUHOMFLKGH-VJANTYMQSA-N 1 3 300.446 2.776 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@H](C)C2 ZINC000282397554 281091952 /nfs/dbraw/zinc/09/19/52/281091952.db2.gz RLWPLWAPKIEHDT-LPHOPBHVSA-N 1 3 315.505 2.844 20 0 DFADHO CC[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261892524 281169423 /nfs/dbraw/zinc/16/94/23/281169423.db2.gz UEJLUGIUWXMUPT-OALUTQOASA-N 1 3 301.478 2.582 20 0 DFADHO CCC(CC)(C[NH3+])C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000262064906 282070608 /nfs/dbraw/zinc/07/06/08/282070608.db2.gz WFVWAPCVKQBLRQ-MRXNPFEDSA-N 1 3 305.466 2.691 20 0 DFADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000363335389 289078923 /nfs/dbraw/zinc/07/89/23/289078923.db2.gz PLIKQSNIZUPAQK-YOEHRIQHSA-N 1 3 323.506 2.587 20 0 DFADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000363335389 289078928 /nfs/dbraw/zinc/07/89/28/289078928.db2.gz PLIKQSNIZUPAQK-YOEHRIQHSA-N 1 3 323.506 2.587 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCSC(C)(C)C ZINC000370172468 289332823 /nfs/dbraw/zinc/33/28/23/289332823.db2.gz KXJBGRZZISFUGP-QLFBSQMISA-N 1 3 300.512 2.702 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@]2(C)OCCc3sccc32)[C@H]2CCC[C@H]21 ZINC000353630070 290220971 /nfs/dbraw/zinc/22/09/71/290220971.db2.gz LTXXMOADTCSZPD-VUNQQRPYSA-N 1 3 320.502 2.998 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@]2(C)OCCc3sccc32)[C@H]2CCC[C@H]21 ZINC000353630070 290220974 /nfs/dbraw/zinc/22/09/74/290220974.db2.gz LTXXMOADTCSZPD-VUNQQRPYSA-N 1 3 320.502 2.998 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000435940455 296980780 /nfs/dbraw/zinc/98/07/80/296980780.db2.gz RCPMAFXVJKIAMQ-OAGGEKHMSA-N 1 3 309.498 2.579 20 0 DFADHO CC(C)CC[C@](C)(O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000436469477 297004534 /nfs/dbraw/zinc/00/45/34/297004534.db2.gz BYVZLQJSHNTHJI-SFHVURJKSA-N 1 3 305.466 2.827 20 0 DFADHO Cc1cc(N2CCC([N@@H+](C)C[C@@H](C)O)CC2)c2ccccc2n1 ZINC000436442344 297003755 /nfs/dbraw/zinc/00/37/55/297003755.db2.gz BCCFGWDDHJGSLQ-OAHLLOKOSA-N 1 3 313.445 2.825 20 0 DFADHO Cc1cc(N2CCC([N@H+](C)C[C@@H](C)O)CC2)c2ccccc2n1 ZINC000436442344 297003756 /nfs/dbraw/zinc/00/37/56/297003756.db2.gz BCCFGWDDHJGSLQ-OAHLLOKOSA-N 1 3 313.445 2.825 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@H]1C ZINC000495088493 299902752 /nfs/dbraw/zinc/90/27/52/299902752.db2.gz DWYNWESXZYSFRD-VCBZYWHSSA-N 1 3 302.462 2.777 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@H]1C ZINC000495088494 299902831 /nfs/dbraw/zinc/90/28/31/299902831.db2.gz DWYNWESXZYSFRD-ZRGWGRIASA-N 1 3 302.462 2.777 20 0 DFADHO COc1ccc(C)cc1[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154379513 295298876 /nfs/dbraw/zinc/29/88/76/295298876.db2.gz HNPIBJBALHYLNQ-QGZVFWFLSA-N 1 3 319.493 2.682 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000261815030 295314934 /nfs/dbraw/zinc/31/49/34/295314934.db2.gz SBRBUTMBZYXGBE-RRFJBIMHSA-N 1 3 321.490 2.519 20 0 DFADHO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000156754674 295340605 /nfs/dbraw/zinc/34/06/05/295340605.db2.gz QASRKOZOKKCXEU-QGZVFWFLSA-N 1 3 321.509 2.630 20 0 DFADHO CCC(C)(C)[C@H]1CCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000156754674 295340607 /nfs/dbraw/zinc/34/06/07/295340607.db2.gz QASRKOZOKKCXEU-QGZVFWFLSA-N 1 3 321.509 2.630 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3[C@@H]4CCCC[C@@H]4C3(C)C)C2)CC1 ZINC000363749431 295440400 /nfs/dbraw/zinc/44/04/00/295440400.db2.gz KYLBOIBQJILXNE-OQIJWPOYSA-N 1 3 319.537 2.959 20 0 DFADHO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000368088312 295456832 /nfs/dbraw/zinc/45/68/32/295456832.db2.gz GJRUCLSDMIAWKF-JQHSSLGASA-N 1 3 305.510 2.737 20 0 DFADHO CO[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1OC ZINC000411628620 295549867 /nfs/dbraw/zinc/54/98/67/295549867.db2.gz WMBRIJLQKMKZQU-RTBURBONSA-N 1 3 318.461 2.518 20 0 DFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438565169 297098814 /nfs/dbraw/zinc/09/88/14/297098814.db2.gz BTJJCDXAAYPDOG-SOLBZPMBSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438565169 297098817 /nfs/dbraw/zinc/09/88/17/297098817.db2.gz BTJJCDXAAYPDOG-SOLBZPMBSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000438565169 297098819 /nfs/dbraw/zinc/09/88/19/297098819.db2.gz BTJJCDXAAYPDOG-SOLBZPMBSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000438565169 297098822 /nfs/dbraw/zinc/09/88/22/297098822.db2.gz BTJJCDXAAYPDOG-SOLBZPMBSA-N 1 3 321.509 2.630 20 0 DFADHO C[N@@H+]1CCN(CCNc2ccnc3cc(F)ccc32)CC1(C)C ZINC000440651870 297160688 /nfs/dbraw/zinc/16/06/88/297160688.db2.gz LMQMLYRIMXMLTB-UHFFFAOYSA-N 1 3 316.424 2.812 20 0 DFADHO C[N@H+]1CCN(CCNc2ccnc3cc(F)ccc32)CC1(C)C ZINC000440651870 297160689 /nfs/dbraw/zinc/16/06/89/297160689.db2.gz LMQMLYRIMXMLTB-UHFFFAOYSA-N 1 3 316.424 2.812 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)N(C)c2ccccc2)C[C@H]1C ZINC000441150307 297173392 /nfs/dbraw/zinc/17/33/92/297173392.db2.gz CYANHOXCABDTSR-SJLPKXTDSA-N 1 3 317.477 2.844 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)N(C)c2ccccc2)C[C@H]1C ZINC000441150307 297173394 /nfs/dbraw/zinc/17/33/94/297173394.db2.gz CYANHOXCABDTSR-SJLPKXTDSA-N 1 3 317.477 2.844 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(C[C@H](C)[NH3+])[C@@H]2CCCC[C@@H]12 ZINC000442664200 297199631 /nfs/dbraw/zinc/19/96/31/297199631.db2.gz LSTWOYKMMMBGOR-NQLMQOPMSA-N 1 3 309.498 2.518 20 0 DFADHO C[C@@H]1C[C@H](C[NH3+])CN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000442788786 297206328 /nfs/dbraw/zinc/20/63/28/297206328.db2.gz IZMODPCAWJAIDH-VXGBXAGGSA-N 1 3 320.824 2.602 20 0 DFADHO CCc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443056535 297213595 /nfs/dbraw/zinc/21/35/95/297213595.db2.gz CWAFHYYLUJZBLR-GDBMZVCRSA-N 1 3 303.450 2.637 20 0 DFADHO CC(C)[C@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443058438 297213832 /nfs/dbraw/zinc/21/38/32/297213832.db2.gz ADHLTNHNOOPUIS-LPHOPBHVSA-N 1 3 317.477 2.561 20 0 DFADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443058233 297213945 /nfs/dbraw/zinc/21/39/45/297213945.db2.gz MRMCBMOEUCSWDQ-FUHWJXTLSA-N 1 3 317.477 2.657 20 0 DFADHO CCC[C@@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443060873 297214502 /nfs/dbraw/zinc/21/45/02/297214502.db2.gz PXYMRJRIKGUTJA-FUHWJXTLSA-N 1 3 317.477 2.705 20 0 DFADHO Cc1ccc([C@H](C)NC(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000443068430 297214814 /nfs/dbraw/zinc/21/48/14/297214814.db2.gz ICOBGTUZEJCNLE-IRXDYDNUSA-N 1 3 317.477 2.541 20 0 DFADHO Cn1ccc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000447603530 297310720 /nfs/dbraw/zinc/31/07/20/297310720.db2.gz YBGWVOTYQJIRKR-OWZKRDHZSA-N 1 3 324.472 2.748 20 0 DFADHO Cn1ccc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000447603530 297310721 /nfs/dbraw/zinc/31/07/21/297310721.db2.gz YBGWVOTYQJIRKR-OWZKRDHZSA-N 1 3 324.472 2.748 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)CC1 ZINC000448076304 297331501 /nfs/dbraw/zinc/33/15/01/297331501.db2.gz FTJNOVDCXXBSMU-UHFFFAOYSA-N 1 3 313.489 2.856 20 0 DFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)N(CC)CC ZINC000448444910 297339670 /nfs/dbraw/zinc/33/96/70/297339670.db2.gz RJDDONNMLPKLTE-IRXDYDNUSA-N 1 3 311.514 2.591 20 0 DFADHO CC[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N(CC)CC ZINC000448521100 297340658 /nfs/dbraw/zinc/34/06/58/297340658.db2.gz PVKWFECYARSMGL-CGTJXYLNSA-N 1 3 321.509 2.582 20 0 DFADHO CC[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N(CC)CC ZINC000448521100 297340659 /nfs/dbraw/zinc/34/06/59/297340659.db2.gz PVKWFECYARSMGL-CGTJXYLNSA-N 1 3 321.509 2.582 20 0 DFADHO c1cc(CNCC2CC[NH+](C3CC3)CC2)n(C2CCCC2)n1 ZINC000449286564 297436673 /nfs/dbraw/zinc/43/66/73/297436673.db2.gz IAIAWAJDQWAEJW-UHFFFAOYSA-N 1 3 302.466 2.962 20 0 DFADHO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C12CCC2 ZINC000453068780 298059171 /nfs/dbraw/zinc/05/91/71/298059171.db2.gz SRMFMNVXAHCEHI-QZTJIDSGSA-N 1 3 318.461 2.674 20 0 DFADHO O[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21)C(F)F ZINC000453123047 298064987 /nfs/dbraw/zinc/06/49/87/298064987.db2.gz FPVOWEALZRWCFT-VVLHAWIVSA-N 1 3 324.415 2.645 20 0 DFADHO c1ccc(CN2CC[C@H]([NH2+]CCN3CCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453174782 298068878 /nfs/dbraw/zinc/06/88/78/298068878.db2.gz PAGMJJVZKLPERZ-SLFFLAALSA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(C[N@H+]2CC[C@H](NCCN3CCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453174782 298068879 /nfs/dbraw/zinc/06/88/79/298068879.db2.gz PAGMJJVZKLPERZ-SLFFLAALSA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@H](NCCN3CCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453174782 298068881 /nfs/dbraw/zinc/06/88/81/298068881.db2.gz PAGMJJVZKLPERZ-SLFFLAALSA-N 1 3 313.489 2.725 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000453346527 298085878 /nfs/dbraw/zinc/08/58/78/298085878.db2.gz IGRWUSVFGBPREX-JKIFEVAISA-N 1 3 316.424 2.830 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000454354686 298160389 /nfs/dbraw/zinc/16/03/89/298160389.db2.gz KDBYJJFWJKPLMM-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO CN(C)Cc1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)cc1 ZINC000457415753 298719993 /nfs/dbraw/zinc/71/99/93/298719993.db2.gz JRYYUWJAMPBLHM-UHFFFAOYSA-N 1 3 315.461 2.951 20 0 DFADHO COC(=O)[C@@H](C)CN(C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000509771669 300243248 /nfs/dbraw/zinc/24/32/48/300243248.db2.gz GZKHKGGUMUTUPD-INIZCTEOSA-N 1 3 320.477 2.886 20 0 DFADHO COC(=O)[C@@H](C)CN(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000509771669 300243250 /nfs/dbraw/zinc/24/32/50/300243250.db2.gz GZKHKGGUMUTUPD-INIZCTEOSA-N 1 3 320.477 2.886 20 0 DFADHO C[C@@H]1C[C@H]([NH3+])CCN1CCC(=O)Nc1cccc2ccccc21 ZINC000514612101 300262743 /nfs/dbraw/zinc/26/27/43/300262743.db2.gz JTVWEUKZQYHQEW-GDBMZVCRSA-N 1 3 311.429 2.980 20 0 DFADHO C[C@H](NCCc1nc2ccccc2n1C(F)F)[C@@H]1CCC[NH2+]C1 ZINC000514667614 300265486 /nfs/dbraw/zinc/26/54/86/300265486.db2.gz AITUUPRQHRTBNH-QWHCGFSZSA-N 1 3 322.403 2.952 20 0 DFADHO C[C@H]([NH2+]CCc1ccccc1Br)[C@H]1CCCNC1 ZINC000515053312 300286935 /nfs/dbraw/zinc/28/69/35/300286935.db2.gz MXUHBPQAOQQNBN-JSGCOSHPSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H](NCCc1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000515053312 300286938 /nfs/dbraw/zinc/28/69/38/300286938.db2.gz MXUHBPQAOQQNBN-JSGCOSHPSA-N 1 3 311.267 2.969 20 0 DFADHO CN(CCCN(C)Cc1cnc(C2CCC2)s1)CC[NH+](C)C ZINC000515093014 300290031 /nfs/dbraw/zinc/29/00/31/300290031.db2.gz BLTPDAQNWKKHNX-UHFFFAOYSA-N 1 3 324.538 2.726 20 0 DFADHO C[C@@H]([NH2+]CC(=O)NCCN1CCCCCC1)C1CCCCC1 ZINC000515147231 300292476 /nfs/dbraw/zinc/29/24/76/300292476.db2.gz ADAYZRLSRMHQEB-MRXNPFEDSA-N 1 3 309.498 2.537 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000515233905 300297084 /nfs/dbraw/zinc/29/70/84/300297084.db2.gz BENOTVMTVGMXCY-MRXNPFEDSA-N 1 3 301.434 2.569 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@H]2CCCNC2)cc1OC ZINC000516861234 300363966 /nfs/dbraw/zinc/36/39/66/300363966.db2.gz CKOJNTZZFKLCLG-ZOBUZTSGSA-N 1 3 320.477 2.860 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(NC(=O)c3ccncc3)cc2)C1 ZINC000516937591 300370827 /nfs/dbraw/zinc/37/08/27/300370827.db2.gz LHEKLOBOLRUQDL-SJLPKXTDSA-N 1 3 324.428 2.693 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000530223300 301031701 /nfs/dbraw/zinc/03/17/01/301031701.db2.gz SYRWQBAKNJXXLR-IXDOHACOSA-N 1 3 303.450 2.533 20 0 DFADHO Clc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530238864 301033256 /nfs/dbraw/zinc/03/32/56/301033256.db2.gz OPRRBQUYYOYGQO-QGZVFWFLSA-N 1 3 308.853 2.931 20 0 DFADHO C[C@@H](c1ccc(F)cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238844 301033438 /nfs/dbraw/zinc/03/34/38/301033438.db2.gz DCICDTLOCHVGCN-KSSFIOAISA-N 1 3 306.425 2.977 20 0 DFADHO c1cc2c(cc1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)OCCNC2 ZINC000530247330 301033697 /nfs/dbraw/zinc/03/36/97/301033697.db2.gz QFKUDZKDNSOUHZ-IXDOHACOSA-N 1 3 301.434 2.501 20 0 DFADHO C[C@H](CC1CCCCC1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530881038 301069810 /nfs/dbraw/zinc/06/98/10/301069810.db2.gz YIUPUFWSTIKQJJ-MRXNPFEDSA-N 1 3 311.514 2.545 20 0 DFADHO CC[C@H]1CCC[C@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000531708174 301105344 /nfs/dbraw/zinc/10/53/44/301105344.db2.gz GBGNVRASSGDAIJ-PKOBYXMFSA-N 1 3 316.493 2.762 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NCC[N@@H+]2CC[C@@H](C)C2)c1C ZINC000531728575 301106899 /nfs/dbraw/zinc/10/68/99/301106899.db2.gz SBYXXMPGMUPGTH-GDBMZVCRSA-N 1 3 317.477 2.952 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NCC[N@H+]2CC[C@@H](C)C2)c1C ZINC000531728575 301106900 /nfs/dbraw/zinc/10/69/00/301106900.db2.gz SBYXXMPGMUPGTH-GDBMZVCRSA-N 1 3 317.477 2.952 20 0 DFADHO CC(C)[NH+](CCCNC1CCN(c2cnccn2)CC1)C(C)C ZINC000531984134 301123064 /nfs/dbraw/zinc/12/30/64/301123064.db2.gz XGGFZWQPAJTKMV-UHFFFAOYSA-N 1 3 319.497 2.544 20 0 DFADHO C[NH+](C)CC1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000532476679 301155053 /nfs/dbraw/zinc/15/50/53/301155053.db2.gz HECZWTVJPWRYIJ-UHFFFAOYSA-N 1 3 310.445 2.917 20 0 DFADHO C[C@@H]1CCN(CCNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000532531761 301158710 /nfs/dbraw/zinc/15/87/10/301158710.db2.gz CLZAYBRWLHNTJU-ZHALLVOQSA-N 1 3 307.526 2.961 20 0 DFADHO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000536749574 301289686 /nfs/dbraw/zinc/28/96/86/301289686.db2.gz IOKXIXYYFSVCSU-SJORKVTESA-N 1 3 319.497 2.913 20 0 DFADHO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000536749574 301289689 /nfs/dbraw/zinc/28/96/89/301289689.db2.gz IOKXIXYYFSVCSU-SJORKVTESA-N 1 3 319.497 2.913 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000537607188 301305660 /nfs/dbraw/zinc/30/56/60/301305660.db2.gz SBTPGXKQEBACME-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000537607188 301305662 /nfs/dbraw/zinc/30/56/62/301305662.db2.gz SBTPGXKQEBACME-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCCN1CCN(C)CC1)[C@H](C)C2 ZINC000538709291 301328804 /nfs/dbraw/zinc/32/88/04/301328804.db2.gz CEZQELKIXZHRHK-XLIONFOSSA-N 1 3 315.505 2.846 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000539688472 301346668 /nfs/dbraw/zinc/34/66/68/301346668.db2.gz JOCKQCAWLGMGLO-YJBOKZPZSA-N 1 3 319.518 2.988 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000539688472 301346671 /nfs/dbraw/zinc/34/66/71/301346671.db2.gz JOCKQCAWLGMGLO-YJBOKZPZSA-N 1 3 319.518 2.988 20 0 DFADHO CC(C)=CCC[C@H](C)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000552279006 301688723 /nfs/dbraw/zinc/68/87/23/301688723.db2.gz YYCUQOBAQYBDJW-KRWDZBQOSA-N 1 3 309.498 2.703 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(-c2ccccn2)c1 ZINC000562959514 302018415 /nfs/dbraw/zinc/01/84/15/302018415.db2.gz WBZVEEUKTKFMHT-POZUXBRTSA-N 1 3 311.429 2.591 20 0 DFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528791 302079978 /nfs/dbraw/zinc/07/99/78/302079978.db2.gz GOZHUDNBCLYIEU-UTKZUKDTSA-N 1 3 324.468 2.817 20 0 DFADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528791 302079981 /nfs/dbraw/zinc/07/99/81/302079981.db2.gz GOZHUDNBCLYIEU-UTKZUKDTSA-N 1 3 324.468 2.817 20 0 DFADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528791 302079985 /nfs/dbraw/zinc/07/99/85/302079985.db2.gz GOZHUDNBCLYIEU-UTKZUKDTSA-N 1 3 324.468 2.817 20 0 DFADHO CC[NH+]1CCC(CN[C@@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000563829178 302101513 /nfs/dbraw/zinc/10/15/13/302101513.db2.gz YQZZWTABDCNIHZ-KRWDZBQOSA-N 1 3 312.404 2.974 20 0 DFADHO C[C@H](CC[NH+](C)C)NC[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000564855760 302165228 /nfs/dbraw/zinc/16/52/28/302165228.db2.gz HGAKGZHMQWAIQS-OCCSQVGLSA-N 1 3 318.383 2.539 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CNCc3ccccc32)c1 ZINC000565717459 302239253 /nfs/dbraw/zinc/23/92/53/302239253.db2.gz ZZKLWQFMIAEUEN-GOSISDBHSA-N 1 3 309.413 2.622 20 0 DFADHO C[C@]1(C(=O)Nc2cccc(CN3CCCCC3)c2)CCC[NH2+]1 ZINC000565953297 302250633 /nfs/dbraw/zinc/25/06/33/302250633.db2.gz DTBMGKPJSULDQT-GOSISDBHSA-N 1 3 301.434 2.753 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000566087973 302258105 /nfs/dbraw/zinc/25/81/05/302258105.db2.gz IJZCIOSTTMHMEC-HRCADAONSA-N 1 3 303.450 2.690 20 0 DFADHO C[C@@H](NCc1cc(N(C)C)nc2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000566089585 302258367 /nfs/dbraw/zinc/25/83/67/302258367.db2.gz UQWYNCAZRQXCOY-CABCVRRESA-N 1 3 312.461 2.779 20 0 DFADHO C[C@H](NC[C@H](c1ccc(Cl)cc1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000566089476 302258583 /nfs/dbraw/zinc/25/85/83/302258583.db2.gz BBSLXHBMROAYCR-JLJPHGGASA-N 1 3 309.885 2.920 20 0 DFADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCCCC[C@H]2N)CC1 ZINC000566090766 302258804 /nfs/dbraw/zinc/25/88/04/302258804.db2.gz LTRCTXKMMPLNLO-ATZDWAIDSA-N 1 3 316.493 2.857 20 0 DFADHO C[C@H](c1ccncc1)N1CCC(N[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000566090766 302258806 /nfs/dbraw/zinc/25/88/06/302258806.db2.gz LTRCTXKMMPLNLO-ATZDWAIDSA-N 1 3 316.493 2.857 20 0 DFADHO Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000566108175 302260010 /nfs/dbraw/zinc/26/00/10/302260010.db2.gz VRTXZBBKTDZWBJ-QGZVFWFLSA-N 1 3 320.477 2.587 20 0 DFADHO Cc1ncc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1C ZINC000566926753 302323176 /nfs/dbraw/zinc/32/31/76/302323176.db2.gz PCZVCEPHQQCPMB-PBHICJAKSA-N 1 3 318.490 2.963 20 0 DFADHO Cc1ncc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1C ZINC000566926753 302323179 /nfs/dbraw/zinc/32/31/79/302323179.db2.gz PCZVCEPHQQCPMB-PBHICJAKSA-N 1 3 318.490 2.963 20 0 DFADHO Cc1ncc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)n1C ZINC000566926753 302323181 /nfs/dbraw/zinc/32/31/81/302323181.db2.gz PCZVCEPHQQCPMB-PBHICJAKSA-N 1 3 318.490 2.963 20 0 DFADHO CCC(CC)(CNC(=O)[C@H](C)NC)[NH2+][C@H](C)c1ccccc1 ZINC000567248573 302344792 /nfs/dbraw/zinc/34/47/92/302344792.db2.gz HFNBZMZWFGEEJV-CABCVRRESA-N 1 3 305.466 2.620 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)CN2CCC(C)CC2)c1 ZINC000567250195 302345551 /nfs/dbraw/zinc/34/55/51/302345551.db2.gz DAJPHRXOROCHTE-HNNXBMFYSA-N 1 3 318.465 2.696 20 0 DFADHO CN(C)Cc1ccc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1 ZINC000567324593 302349399 /nfs/dbraw/zinc/34/93/99/302349399.db2.gz FXKUZXVSMKTYMJ-LJQANCHMSA-N 1 3 316.420 2.581 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)C[C@H](C)O1 ZINC000567336021 302350972 /nfs/dbraw/zinc/35/09/72/302350972.db2.gz FODUGXQHZNLXOS-QLPKVWCKSA-N 1 3 303.450 2.844 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)[C@@H]1CCCNC1 ZINC000567639988 302375302 /nfs/dbraw/zinc/37/53/02/302375302.db2.gz UALRPBPGIXNUEM-OKZBNKHCSA-N 1 3 301.478 2.881 20 0 DFADHO COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000567646074 302375972 /nfs/dbraw/zinc/37/59/72/302375972.db2.gz SDGWKRRZBVZIQB-BZUAXINKSA-N 1 3 306.450 2.688 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000567642519 302376181 /nfs/dbraw/zinc/37/61/81/302376181.db2.gz OHGBHOHOUDIXHW-XOKHGSTOSA-N 1 3 309.885 2.920 20 0 DFADHO Cc1cc(NCC2CC[NH2+]CC2)c2cc(OC(F)F)ccc2n1 ZINC000568235984 302433041 /nfs/dbraw/zinc/43/30/41/302433041.db2.gz RTCYKKFMWZBOEI-UHFFFAOYSA-N 1 3 321.371 2.978 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCOc2ccc(Br)cc2)C1 ZINC000568247593 302434747 /nfs/dbraw/zinc/43/47/47/302434747.db2.gz QXNVIJJSYCGFRC-STQMWFEESA-N 1 3 313.239 2.687 20 0 DFADHO CSC[C@H](O)CNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000568751017 302474748 /nfs/dbraw/zinc/47/47/48/302474748.db2.gz UFDOLJHBLDWOHU-GOSISDBHSA-N 1 3 322.518 2.876 20 0 DFADHO CC[C@@H]1Oc2cc([C@H](C)N[C@H]3CCC[C@H]([NH3+])C3)ccc2NC1=O ZINC000572378792 302659312 /nfs/dbraw/zinc/65/93/12/302659312.db2.gz RIYJUSCRWXOIDZ-PCBIJLKTSA-N 1 3 317.433 2.717 20 0 DFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000573669455 302716009 /nfs/dbraw/zinc/71/60/09/302716009.db2.gz ZZILWHHMCMRVLB-GDBMZVCRSA-N 1 3 307.482 2.821 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCOC(C)(C)C)[C@H](C)C1 ZINC000180340019 316031237 /nfs/dbraw/zinc/03/12/37/316031237.db2.gz UQNNPUMKFLZIGY-HZPDHXFCSA-N 1 3 300.487 2.528 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCOC(C)(C)C)[C@H](C)C1 ZINC000180340019 316031242 /nfs/dbraw/zinc/03/12/42/316031242.db2.gz UQNNPUMKFLZIGY-HZPDHXFCSA-N 1 3 300.487 2.528 20 0 DFADHO C[C@@H](NCCOCC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185692497 316190060 /nfs/dbraw/zinc/19/00/60/316190060.db2.gz IOPNFCXSSKFLMO-CHWSQXEVSA-N 1 3 308.388 2.808 20 0 DFADHO C[C@@H](NCCOCC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185692497 316190066 /nfs/dbraw/zinc/19/00/66/316190066.db2.gz IOPNFCXSSKFLMO-CHWSQXEVSA-N 1 3 308.388 2.808 20 0 DFADHO C[C@@H]([NH2+]CCOCC(F)(F)F)[C@@H]1CCCN(C2CCC2)C1 ZINC000185692497 316190069 /nfs/dbraw/zinc/19/00/69/316190069.db2.gz IOPNFCXSSKFLMO-CHWSQXEVSA-N 1 3 308.388 2.808 20 0 DFADHO CCOC(=O)CCCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185709986 316190956 /nfs/dbraw/zinc/19/09/56/316190956.db2.gz SMIHGHZGYSKGHJ-HZPDHXFCSA-N 1 3 310.482 2.962 20 0 DFADHO COc1cc2c(cc1CN1CCC([C@H](C)[NH3+])CC1)O[C@H](C)C2 ZINC000317053803 316247289 /nfs/dbraw/zinc/24/72/89/316247289.db2.gz XGHOBTRNSCQBHB-OLZOCXBDSA-N 1 3 304.434 2.578 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CCC3(O)CCC3)CC2)C[C@@H](C)O1 ZINC000411313159 316587624 /nfs/dbraw/zinc/58/76/24/316587624.db2.gz XCJBUFZWZQFAMN-IAGOWNOFSA-N 1 3 324.509 2.503 20 0 DFADHO Fc1ccc(CNCCCN2CC[NH2+]CC2)c(Cl)c1Cl ZINC000414776533 316651441 /nfs/dbraw/zinc/65/14/41/316651441.db2.gz FNFSZQWAYOBIGX-UHFFFAOYSA-N 1 3 320.239 2.517 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000414794155 316659935 /nfs/dbraw/zinc/65/99/35/316659935.db2.gz FHGGVECMNXOYOY-GXTWGEPZSA-N 1 3 307.404 2.510 20 0 DFADHO CSCC1CCC([NH2+]CCCN2CCCN(C)CC2)CC1 ZINC000453095004 317161077 /nfs/dbraw/zinc/16/10/77/317161077.db2.gz GTOYCYBVKNRLFP-UHFFFAOYSA-N 1 3 313.555 2.525 20 0 DFADHO Cc1cnc(CC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000453394838 317183055 /nfs/dbraw/zinc/18/30/55/317183055.db2.gz HJGVBZYSJOJSLH-HKUYNNGSSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cnc(CCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000453394838 317183059 /nfs/dbraw/zinc/18/30/59/317183059.db2.gz HJGVBZYSJOJSLH-HKUYNNGSSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cnc(CCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000453394838 317183061 /nfs/dbraw/zinc/18/30/61/317183061.db2.gz HJGVBZYSJOJSLH-HKUYNNGSSA-N 1 3 324.472 2.828 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCCC[C@@H]1C ZINC000459364744 317321670 /nfs/dbraw/zinc/32/16/70/317321670.db2.gz AIBYFJUGZMFOKC-IRXDYDNUSA-N 1 3 316.493 2.903 20 0 DFADHO CC(C)CCN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000471168268 317332843 /nfs/dbraw/zinc/33/28/43/317332843.db2.gz HBFLPCJEBJEJSR-UHFFFAOYSA-N 1 3 319.493 2.795 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)[C@H]1CC1(C)C ZINC000487556794 317347286 /nfs/dbraw/zinc/34/72/86/317347286.db2.gz IPPSDIFOWBKYGJ-JCGIZDLHSA-N 1 3 302.462 2.777 20 0 DFADHO COCCSCCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000488278031 317380463 /nfs/dbraw/zinc/38/04/63/317380463.db2.gz IFHHJTYYPIMKAN-CVEARBPZSA-N 1 3 314.539 2.999 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488411490 317390675 /nfs/dbraw/zinc/39/06/75/317390675.db2.gz AIPXHMNPSOIEPT-HZPDHXFCSA-N 1 3 313.555 2.522 20 0 DFADHO CC(C)N1CCC(O)(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488434515 317392378 /nfs/dbraw/zinc/39/23/78/317392378.db2.gz PIJXNBPFXXIQFC-LSDHHAIUSA-N 1 3 314.539 2.732 20 0 DFADHO CC(C)N(CC[NH+]1CCCCCC1)C(=O)CC1CCN(C)CC1 ZINC000488522873 317399517 /nfs/dbraw/zinc/39/95/17/317399517.db2.gz WAJPSEMYVGFXTI-UHFFFAOYSA-N 1 3 323.525 2.831 20 0 DFADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530222817 317777261 /nfs/dbraw/zinc/77/72/61/317777261.db2.gz HRNAHXNAUFOTFG-AHFSAZTBSA-N 1 3 316.445 2.644 20 0 DFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2scnc2C2CC2)CC1 ZINC000565468149 317921606 /nfs/dbraw/zinc/92/16/06/317921606.db2.gz AAPDFDXCVILIIQ-RHSMWYFYSA-N 1 3 321.490 2.739 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc2c(c1)OCO2 ZINC000574799924 318041204 /nfs/dbraw/zinc/04/12/04/318041204.db2.gz VZVLDAIIESUDOL-HOCLYGCPSA-N 1 3 304.434 2.858 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc2c(c1)OCO2 ZINC000574799922 318041295 /nfs/dbraw/zinc/04/12/95/318041295.db2.gz VZVLDAIIESUDOL-GDBMZVCRSA-N 1 3 304.434 2.858 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000576338013 318119409 /nfs/dbraw/zinc/11/94/09/318119409.db2.gz APPANHCVPIJCPL-JSGCOSHPSA-N 1 3 320.824 2.650 20 0 DFADHO CCOc1cc(CCC[NH2+][C@@H]2CCC[C@@H](N)C2)ccc1OC ZINC000576718017 318145977 /nfs/dbraw/zinc/14/59/77/318145977.db2.gz NVMHTECSZNLVGL-HZPDHXFCSA-N 1 3 306.450 2.886 20 0 DFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000577710645 318211522 /nfs/dbraw/zinc/21/15/22/318211522.db2.gz CASVZCXQBUNBBY-KBPBESRZSA-N 1 3 316.449 2.532 20 0 DFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000577710645 318211523 /nfs/dbraw/zinc/21/15/23/318211523.db2.gz CASVZCXQBUNBBY-KBPBESRZSA-N 1 3 316.449 2.532 20 0 DFADHO NC1(C[NH2+][C@H]2CCC23CCOCC3)C2CC3CC(C2)CC1C3 ZINC000577740298 318213969 /nfs/dbraw/zinc/21/39/69/318213969.db2.gz SCPGZAGQMFZLNU-MGMWPHTOSA-N 1 3 304.478 2.689 20 0 DFADHO C[C@H](N[C@@H]1CCN(c2c(F)cccc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000577829015 318219724 /nfs/dbraw/zinc/21/97/24/318219724.db2.gz HKMFYDITCRBCIB-MELADBBJSA-N 1 3 309.404 2.521 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1NCCCC1(C)C)c1cccc(-n2ccnn2)c1 ZINC000578005457 318231733 /nfs/dbraw/zinc/23/17/33/318231733.db2.gz NIFQRQLPUKHKGI-RHSMWYFYSA-N 1 3 313.449 2.696 20 0 DFADHO CCCCN(CC)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000578800613 318286182 /nfs/dbraw/zinc/28/61/82/318286182.db2.gz PRPOMEXAUJYYIG-UHFFFAOYSA-N 1 3 323.525 2.831 20 0 DFADHO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCCN1CCC(C)CC1 ZINC000578846942 318289049 /nfs/dbraw/zinc/28/90/49/318289049.db2.gz OOYNWKNLPUAFSB-PKOBYXMFSA-N 1 3 304.478 2.863 20 0 DFADHO COc1cc(C)ccc1[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000579071376 318304534 /nfs/dbraw/zinc/30/45/34/318304534.db2.gz BDXPFQNJVONOGK-MRXNPFEDSA-N 1 3 319.493 2.680 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCN2CCc3c(Cl)cccc3C2)C1 ZINC000579495164 318335421 /nfs/dbraw/zinc/33/54/21/318335421.db2.gz PHBPLOYWTPUQGR-HUUCEWRRSA-N 1 3 307.869 2.558 20 0 DFADHO Cc1ccc(CNC[C@H]2CCC[N@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000579736997 318351758 /nfs/dbraw/zinc/35/17/58/318351758.db2.gz VZLWPKUABULMCG-MRXNPFEDSA-N 1 3 312.461 2.827 20 0 DFADHO Cc1ccc(CNC[C@H]2CCC[N@@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000579736997 318351760 /nfs/dbraw/zinc/35/17/60/318351760.db2.gz VZLWPKUABULMCG-MRXNPFEDSA-N 1 3 312.461 2.827 20 0 DFADHO CN(CCOc1ccc(F)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000580200677 318382994 /nfs/dbraw/zinc/38/29/94/318382994.db2.gz CZXQAJZYCYKFGF-UHFFFAOYSA-N 1 3 314.404 2.982 20 0 DFADHO CN(C)Cc1ccccc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000580267210 318386177 /nfs/dbraw/zinc/38/61/77/318386177.db2.gz JOMZQQDBWWAUQC-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO CN(C)Cc1ccccc1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000580267210 318386179 /nfs/dbraw/zinc/38/61/79/318386179.db2.gz JOMZQQDBWWAUQC-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)CN(C)C ZINC000381878651 323295757 /nfs/dbraw/zinc/29/57/57/323295757.db2.gz NYBGBNGDPYVCDJ-ILXRZTDVSA-N 1 3 313.486 2.610 20 0 DFADHO C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@@H]1CCCCN1 ZINC000386534703 323319152 /nfs/dbraw/zinc/31/91/52/323319152.db2.gz BLCOHHLRFVAFPG-APWZRJJASA-N 1 3 301.478 2.771 20 0 DFADHO Brc1cccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000386589824 323319685 /nfs/dbraw/zinc/31/96/85/323319685.db2.gz CZHMFRZWPNNVKH-OKILXGFUSA-N 1 3 309.251 2.881 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000581245740 323495896 /nfs/dbraw/zinc/49/58/96/323495896.db2.gz UWZLZLHNDNQWDZ-KYHPRHEASA-N 1 3 320.481 2.541 20 0 DFADHO Cc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c(-n2cc(Cl)cn2)n1 ZINC000581834993 323576014 /nfs/dbraw/zinc/57/60/14/323576014.db2.gz IPOBRAHTGBDEJN-HUUCEWRRSA-N 1 3 319.840 2.589 20 0 DFADHO CC1CCC([NH2+]CCCN2CCN(c3ccncc3)CC2)CC1 ZINC000582377722 323662498 /nfs/dbraw/zinc/66/24/98/323662498.db2.gz WRMDQMKNFLNZIU-UHFFFAOYSA-N 1 3 316.493 2.762 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCc2nc(-c3ccncc3)cs2)C1 ZINC000582735976 323729201 /nfs/dbraw/zinc/72/92/01/323729201.db2.gz QTUMVAHBQMJIRU-KGLIPLIRSA-N 1 3 302.447 2.607 20 0 DFADHO CC(C)Oc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cn1 ZINC000367603351 519779911 /nfs/dbraw/zinc/77/99/11/519779911.db2.gz ZEYXIWGAJYRQAC-BRWVUGGUSA-N 1 3 303.450 2.831 20 0 DFADHO c1csc(C[NH+]2CCC(CN[C@H]3CCn4ccnc43)CC2)c1 ZINC000297544415 534519938 /nfs/dbraw/zinc/51/99/38/534519938.db2.gz FEXKAWYDBXSRFJ-INIZCTEOSA-N 1 3 316.474 2.891 20 0 DFADHO CCOC(=O)c1coc(CNCCC2CC[NH+](CC)CC2)c1 ZINC000354474315 521584412 /nfs/dbraw/zinc/58/44/12/521584412.db2.gz ZVSWGYHGZKMRTI-UHFFFAOYSA-N 1 3 308.422 2.668 20 0 DFADHO Cc1[nH+]c2ccccc2c(N2CCN(CC(C)(C)O)CC2)c1C ZINC000302064711 534671687 /nfs/dbraw/zinc/67/16/87/534671687.db2.gz DQYIQKXJCANRNB-UHFFFAOYSA-N 1 3 313.445 2.745 20 0 DFADHO CN1CC=C(C[NH2+]C2CCC(O)(c3ccccc3)CC2)CC1 ZINC000364113680 523748486 /nfs/dbraw/zinc/74/84/86/523748486.db2.gz XDBWFDCSYUUDAX-UHFFFAOYSA-N 1 3 300.446 2.668 20 0 DFADHO CN1CCC[C@@H](CNC(=O)C(C)(C)[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000364848545 523813156 /nfs/dbraw/zinc/81/31/56/523813156.db2.gz ALWZTTYUDIOLHL-ZFWWWQNUSA-N 1 3 323.868 2.576 20 0 DFADHO CC(C)(CO)CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000294802334 527203963 /nfs/dbraw/zinc/20/39/63/527203963.db2.gz MZMUMQVYZBCQBQ-GBESFXJTSA-N 1 3 316.489 2.895 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000294997698 528557686 /nfs/dbraw/zinc/55/76/86/528557686.db2.gz IBLCWWLJNOXMLC-JZXOWHBKSA-N 1 3 317.477 2.544 20 0 DFADHO CC(C)n1ncc2cc(CN3CCC4(C3)CC[NH2+]CC4)cnc21 ZINC000261677296 535137250 /nfs/dbraw/zinc/13/72/50/535137250.db2.gz AARXACQQMYPIFY-UHFFFAOYSA-N 1 3 313.449 2.588 20 0 DFADHO CCCC[N@H+](C)CC1CCN(CCCc2nc(C)no2)CC1 ZINC000357727768 535215273 /nfs/dbraw/zinc/21/52/73/535215273.db2.gz HUEURYBRJRUWJT-UHFFFAOYSA-N 1 3 308.470 2.755 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(CCCc2nc(C)no2)CC1 ZINC000357727768 535215276 /nfs/dbraw/zinc/21/52/76/535215276.db2.gz HUEURYBRJRUWJT-UHFFFAOYSA-N 1 3 308.470 2.755 20 0 DFADHO CCc1ccccc1CCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000369348044 535932795 /nfs/dbraw/zinc/93/27/95/535932795.db2.gz GUNISXKJLTXSQQ-VAMGGRTRSA-N 1 3 316.489 2.975 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000167794834 535952457 /nfs/dbraw/zinc/95/24/57/535952457.db2.gz NMGHJRZHYMYACZ-MPGHIAIKSA-N 1 3 317.477 2.702 20 0 DFADHO CN(C)Cc1ccccc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000362863401 536040754 /nfs/dbraw/zinc/04/07/54/536040754.db2.gz MPYKDHKSPBYZNE-KRWDZBQOSA-N 1 3 317.477 2.695 20 0 DFADHO CN(C)Cc1ccccc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000362863401 536040758 /nfs/dbraw/zinc/04/07/58/536040758.db2.gz MPYKDHKSPBYZNE-KRWDZBQOSA-N 1 3 317.477 2.695 20 0 DFADHO CC[C@@]1(O)CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681755559 545716050 /nfs/dbraw/zinc/71/60/50/545716050.db2.gz VNYDBNHGZUBCHX-LJQANCHMSA-N 1 3 318.461 2.508 20 0 DFADHO c1ccc(N2C[C@H]3CN(CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC000682027660 545778485 /nfs/dbraw/zinc/77/84/85/545778485.db2.gz GDNXELPXWVSFPT-RTBURBONSA-N 1 3 313.489 2.931 20 0 DFADHO c1ccc(N2C[C@H]3CN(CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC000682027658 545779342 /nfs/dbraw/zinc/77/93/42/545779342.db2.gz GDNXELPXWVSFPT-KDURUIRLSA-N 1 3 313.489 2.931 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)C1CCN(C)CC1 ZINC000682376777 545833584 /nfs/dbraw/zinc/83/35/84/545833584.db2.gz HIDWGWHSJTXXBN-YJBOKZPZSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)C1CCN(C)CC1 ZINC000682376771 545833695 /nfs/dbraw/zinc/83/36/95/545833695.db2.gz HIDWGWHSJTXXBN-CRAIPNDOSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](Cc1ccsc1)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457665 546353944 /nfs/dbraw/zinc/35/39/44/546353944.db2.gz ITIZIPHRHDRGDR-CRAIPNDOSA-N 1 3 321.534 2.779 20 0 DFADHO C[C@H](Cc1ccsc1)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457665 546353948 /nfs/dbraw/zinc/35/39/48/546353948.db2.gz ITIZIPHRHDRGDR-CRAIPNDOSA-N 1 3 321.534 2.779 20 0 DFADHO Cn1nc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000685463166 546354734 /nfs/dbraw/zinc/35/47/34/546354734.db2.gz VKNDCKOMCCERBT-MRXNPFEDSA-N 1 3 312.461 2.737 20 0 DFADHO C[NH+]1CCC([C@H]2CCN(Cc3nc4c(s3)CCC4)C2)CC1 ZINC000685463163 546355352 /nfs/dbraw/zinc/35/53/52/546355352.db2.gz UIVXFWNLDBGQJG-AWEZNQCLSA-N 1 3 305.491 2.796 20 0 DFADHO COc1cccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000278463780 214170665 /nfs/dbraw/zinc/17/06/65/214170665.db2.gz JFTIWMCTUJHPCM-HOTGVXAUSA-N 1 3 306.450 2.847 20 0 DFADHO COc1cccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000278463780 214170666 /nfs/dbraw/zinc/17/06/66/214170666.db2.gz JFTIWMCTUJHPCM-HOTGVXAUSA-N 1 3 306.450 2.847 20 0 DFADHO c1nn(-c2ccccc2)cc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278474498 214177508 /nfs/dbraw/zinc/17/75/08/214177508.db2.gz IHUHMCIUTURGQX-UHFFFAOYSA-N 1 3 310.445 2.836 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2sccc2Cl)CC1 ZINC000278508186 214200623 /nfs/dbraw/zinc/20/06/23/214200623.db2.gz OLLRBIHUBXKJOS-UHFFFAOYSA-N 1 3 302.871 2.726 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1cnn(C)c1 ZINC000309696086 231101987 /nfs/dbraw/zinc/10/19/87/231101987.db2.gz DZORIRUKZMBUEA-FUHWJXTLSA-N 1 3 312.461 2.983 20 0 DFADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000278747788 214372474 /nfs/dbraw/zinc/37/24/74/214372474.db2.gz NTCONNGTCNCNPF-JQHSSLGASA-N 1 3 318.461 2.530 20 0 DFADHO C[C@H]1CCN(CCCc2nc(-c3cccs3)no2)C[C@@H]1C[NH3+] ZINC000318004469 231165080 /nfs/dbraw/zinc/16/50/80/231165080.db2.gz GWIWZSAYEDEGOT-STQMWFEESA-N 1 3 320.462 2.647 20 0 DFADHO CC1(CNCc2sccc2Br)CC[NH2+]CC1 ZINC000087575967 185228777 /nfs/dbraw/zinc/22/87/77/185228777.db2.gz LBSGCRCMMQJLID-UHFFFAOYSA-N 1 3 303.269 2.990 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](N)CC(C)C)c1 ZINC000236905876 398365959 /nfs/dbraw/zinc/36/59/59/398365959.db2.gz GMCLELGOKOPKFN-QGZVFWFLSA-N 1 3 305.466 2.518 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C(C)(C)C ZINC000090038610 185279249 /nfs/dbraw/zinc/27/92/49/185279249.db2.gz ZZFLDZZPEKXOQD-AWEZNQCLSA-N 1 3 305.466 2.502 20 0 DFADHO CN(CCC[NH+]1CCN(C)CC1)Cc1ccc(Cl)cc1F ZINC000181366945 199285803 /nfs/dbraw/zinc/28/58/03/199285803.db2.gz JWJYYNJNCLVRCX-UHFFFAOYSA-N 1 3 313.848 2.548 20 0 DFADHO Cc1ccc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000092587125 185327715 /nfs/dbraw/zinc/32/77/15/185327715.db2.gz BCYBEIILIAPHJM-HOTGVXAUSA-N 1 3 306.450 2.909 20 0 DFADHO Cc1cc(F)c(CNCC2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000459402175 299097542 /nfs/dbraw/zinc/09/75/42/299097542.db2.gz NKZWTLRYBKVNJU-UHFFFAOYSA-N 1 3 314.832 2.581 20 0 DFADHO C[C@@H]1C[C@@H](N(C)CCC(=O)OCc2ccccc2)CC[N@@H+]1C ZINC000181470315 199302402 /nfs/dbraw/zinc/30/24/02/199302402.db2.gz SBHKUKJOQGFYPG-WBVHZDCISA-N 1 3 304.434 2.534 20 0 DFADHO C[C@@H]1C[C@@H](N(C)CCC(=O)OCc2ccccc2)CC[N@H+]1C ZINC000181470315 199302404 /nfs/dbraw/zinc/30/24/04/199302404.db2.gz SBHKUKJOQGFYPG-WBVHZDCISA-N 1 3 304.434 2.534 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000584714332 398401393 /nfs/dbraw/zinc/40/13/93/398401393.db2.gz ISTWSXUFQYFEQO-GUYCJALGSA-N 1 3 302.466 2.516 20 0 DFADHO OC[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000459411037 299100200 /nfs/dbraw/zinc/10/02/00/299100200.db2.gz IOQASFWFIFGESB-GOSISDBHSA-N 1 3 315.392 2.513 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc3occc3c2)CC1 ZINC000286645370 219100798 /nfs/dbraw/zinc/10/07/98/219100798.db2.gz TXSPLMJQLFYMDS-UHFFFAOYSA-N 1 3 302.418 2.758 20 0 DFADHO OC[C@@H](CC1CCCC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459449926 299109621 /nfs/dbraw/zinc/10/96/21/299109621.db2.gz JOMSKCUIKSNQEJ-QGZVFWFLSA-N 1 3 303.450 2.581 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC1([C@H](O)c2ccccc2)CC1 ZINC000090771104 398492880 /nfs/dbraw/zinc/49/28/80/398492880.db2.gz IUXKNURTFXUUKC-XYVMCAHJSA-N 1 3 302.462 2.819 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC1([C@H](O)c2ccccc2)CC1 ZINC000090771104 398492884 /nfs/dbraw/zinc/49/28/84/398492884.db2.gz IUXKNURTFXUUKC-XYVMCAHJSA-N 1 3 302.462 2.819 20 0 DFADHO CCO[C@@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)[C@@H]1SC ZINC000459516746 299123894 /nfs/dbraw/zinc/12/38/94/299123894.db2.gz IIJJEMIQGCONSU-KFWWJZLASA-N 1 3 300.512 2.607 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)CN2CCCC2)[C@@H]1SC ZINC000459516746 299123896 /nfs/dbraw/zinc/12/38/96/299123896.db2.gz IIJJEMIQGCONSU-KFWWJZLASA-N 1 3 300.512 2.607 20 0 DFADHO COc1ccc(OC)c(CCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090888325 398495855 /nfs/dbraw/zinc/49/58/55/398495855.db2.gz LJNCNAURCIFYFW-IAGOWNOFSA-N 1 3 318.461 2.853 20 0 DFADHO COc1ccc(OC)c(CCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090888325 398495856 /nfs/dbraw/zinc/49/58/56/398495856.db2.gz LJNCNAURCIFYFW-IAGOWNOFSA-N 1 3 318.461 2.853 20 0 DFADHO c1cc(N2CCC([NH2+]C3CC(N4CCCCC4)C3)CC2)ccn1 ZINC000459526597 299126181 /nfs/dbraw/zinc/12/61/81/299126181.db2.gz MGUQARWYFCXBLA-UHFFFAOYSA-N 1 3 314.477 2.657 20 0 DFADHO CCN(CC)CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000068386562 190765281 /nfs/dbraw/zinc/76/52/81/190765281.db2.gz VCLOUPNYOJKXMB-OAHLLOKOSA-N 1 3 305.466 2.574 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(F)cc2F)C[C@@H](C)O1 ZINC000067452982 282478106 /nfs/dbraw/zinc/47/81/06/282478106.db2.gz MXSMDKVVEOOGEA-ZIAGYGMSSA-N 1 3 312.404 2.944 20 0 DFADHO c1cc2ccc(C[NH2+]C3CCN(c4ccncc4)CC3)nc2[nH]1 ZINC000459557800 299132839 /nfs/dbraw/zinc/13/28/39/299132839.db2.gz FANSXRZCUSVJII-UHFFFAOYSA-N 1 3 307.401 2.717 20 0 DFADHO CCN(CC)[C@H](CNC(=O)CC[NH2+]C(C)C)c1ccccc1 ZINC000314556002 398520383 /nfs/dbraw/zinc/52/03/83/398520383.db2.gz LJSAEZCANVTNHS-QGZVFWFLSA-N 1 3 305.466 2.574 20 0 DFADHO O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000459585279 299141476 /nfs/dbraw/zinc/14/14/76/299141476.db2.gz JVWBDDBYYAZUDJ-OMQSBVIBSA-N 1 3 314.473 2.790 20 0 DFADHO COC[C@H](NCC1(C)CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000272616148 210016867 /nfs/dbraw/zinc/01/68/67/210016867.db2.gz XEOAFFPYEGZLEF-INIZCTEOSA-N 1 3 312.404 2.974 20 0 DFADHO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000414197686 295776768 /nfs/dbraw/zinc/77/67/68/295776768.db2.gz BWHNWXBIHSMZCO-QGTPRVQTSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@@H](c1cccnc1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069016925 398543958 /nfs/dbraw/zinc/54/39/58/398543958.db2.gz NMMKCLCTTASKLD-BBWFWOEESA-N 1 3 317.477 2.964 20 0 DFADHO C[C@@H](c1cccnc1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069016925 398543960 /nfs/dbraw/zinc/54/39/60/398543960.db2.gz NMMKCLCTTASKLD-BBWFWOEESA-N 1 3 317.477 2.964 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1OC ZINC000320271775 398546682 /nfs/dbraw/zinc/54/66/82/398546682.db2.gz UFJZIWOKKGWGSI-RDJZCZTQSA-N 1 3 320.477 2.955 20 0 DFADHO COCCC[NH+]1CCC(N[C@@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000279744296 215110098 /nfs/dbraw/zinc/11/00/98/215110098.db2.gz PHFJOJVUOVCDNF-LPHOPBHVSA-N 1 3 320.477 2.853 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2[nH]nc3ccccc32)C[C@H](C)O1 ZINC000589646238 398569113 /nfs/dbraw/zinc/56/91/13/398569113.db2.gz QOTGSGBIJBACFD-GJZGRUSLSA-N 1 3 316.449 2.542 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCc3cn(C)cn3)CC2)C1 ZINC000459662794 299158492 /nfs/dbraw/zinc/15/84/92/299158492.db2.gz ODIWQGSVASGSSN-CRAIPNDOSA-N 1 3 304.482 2.595 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCc3cn(C)cn3)CC2)C1 ZINC000459662794 299158494 /nfs/dbraw/zinc/15/84/94/299158494.db2.gz ODIWQGSVASGSSN-CRAIPNDOSA-N 1 3 304.482 2.595 20 0 DFADHO COC(=O)c1cc(CNCC2CC[NH+](CC3CC3)CC2)oc1C ZINC000597247877 398606756 /nfs/dbraw/zinc/60/67/56/398606756.db2.gz HJKJMAMTFLVZRG-UHFFFAOYSA-N 1 3 320.433 2.586 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)N(C)C)c1cccc(OCCN(C)C)c1 ZINC000152603438 186088744 /nfs/dbraw/zinc/08/87/44/186088744.db2.gz UAJOQWNCZVIPEF-HNNXBMFYSA-N 1 3 307.482 2.618 20 0 DFADHO CN(CCCO)C1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000093394992 398635320 /nfs/dbraw/zinc/63/53/20/398635320.db2.gz RYFGDTUHFMUVNI-IEBWSBKVSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)c1ccccc1 ZINC000194303677 186279083 /nfs/dbraw/zinc/27/90/83/186279083.db2.gz SDIHAYQKBQPZOB-KRWDZBQOSA-N 1 3 315.505 2.938 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000268746686 186376368 /nfs/dbraw/zinc/37/63/68/186376368.db2.gz AUDLZCQITNIKSV-USXIJHARSA-N 1 3 318.461 2.851 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000268746686 186376370 /nfs/dbraw/zinc/37/63/70/186376370.db2.gz AUDLZCQITNIKSV-USXIJHARSA-N 1 3 318.461 2.851 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000268746690 186376595 /nfs/dbraw/zinc/37/65/95/186376595.db2.gz AUDLZCQITNIKSV-XIRDDKMYSA-N 1 3 318.461 2.851 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000268746690 186376596 /nfs/dbraw/zinc/37/65/96/186376596.db2.gz AUDLZCQITNIKSV-XIRDDKMYSA-N 1 3 318.461 2.851 20 0 DFADHO [NH3+]CCCN1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000414746168 295819129 /nfs/dbraw/zinc/81/91/29/295819129.db2.gz RQCQJCPEQIVDGD-UHFFFAOYSA-N 1 3 305.510 2.559 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CCCNC1 ZINC000414837033 295824153 /nfs/dbraw/zinc/82/41/53/295824153.db2.gz VJFQMBFDMAVLAU-JKSUJKDBSA-N 1 3 306.450 2.614 20 0 DFADHO Fc1cccc(N2CCCC2)c1CNCC[C@@H]1CCC[NH2+]C1 ZINC000414843775 295825108 /nfs/dbraw/zinc/82/51/08/295825108.db2.gz CUKYCDPAFOJDKY-HNNXBMFYSA-N 1 3 305.441 2.905 20 0 DFADHO COCCN1CCC([NH2+]C[C@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000414849161 295825745 /nfs/dbraw/zinc/82/57/45/295825745.db2.gz QVYNFVUHMAYCHP-IBGZPJMESA-N 1 3 319.493 2.510 20 0 DFADHO COCCOc1ccccc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459740530 299179117 /nfs/dbraw/zinc/17/91/17/299179117.db2.gz UONQOMGWXXBPQA-INIZCTEOSA-N 1 3 306.450 2.533 20 0 DFADHO COCCOc1ccccc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459740530 299179118 /nfs/dbraw/zinc/17/91/18/299179118.db2.gz UONQOMGWXXBPQA-INIZCTEOSA-N 1 3 306.450 2.533 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1C ZINC000414860081 295827388 /nfs/dbraw/zinc/82/73/88/295827388.db2.gz VEVWXGSTLLSXJR-USXIJHARSA-N 1 3 317.477 2.998 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2NCCc3ccccc32)CC1 ZINC000414959508 295841084 /nfs/dbraw/zinc/84/10/84/295841084.db2.gz SGUYHSKKNUPBHD-SFHVURJKSA-N 1 3 301.478 2.726 20 0 DFADHO COc1ccc2nc(CNC[C@H]3CCC[C@@H]([NH3+])C3)sc2c1 ZINC000414996803 295845328 /nfs/dbraw/zinc/84/53/28/295845328.db2.gz GRNINDFXAHATAW-NWDGAFQWSA-N 1 3 305.447 2.912 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000590818853 398681003 /nfs/dbraw/zinc/68/10/03/398681003.db2.gz AHUCECXUTBVLCO-QGZVFWFLSA-N 1 3 318.461 2.879 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000590818853 398681004 /nfs/dbraw/zinc/68/10/04/398681004.db2.gz AHUCECXUTBVLCO-QGZVFWFLSA-N 1 3 318.461 2.879 20 0 DFADHO [NH3+]C[C@H]1CC[C@H](NCc2csc(COc3ccccc3)n2)C1 ZINC000415036852 295849689 /nfs/dbraw/zinc/84/96/89/295849689.db2.gz LSUZDARCAHROLE-KBPBESRZSA-N 1 3 317.458 2.939 20 0 DFADHO CCOc1cccc(CN[C@@H]2CC[C@@H](C[NH3+])C2)c1OC(F)F ZINC000415040727 295850391 /nfs/dbraw/zinc/85/03/91/295850391.db2.gz PFLQZVCLXLCTBF-DGCLKSJQSA-N 1 3 314.376 2.904 20 0 DFADHO COc1ccc(C(C)(C)CN[C@H](C)[C@H]2CC[NH2+]C2)cc1OC ZINC000415074675 295854751 /nfs/dbraw/zinc/85/47/51/295854751.db2.gz DCNIJZWVPGFVIY-KGLIPLIRSA-N 1 3 306.450 2.569 20 0 DFADHO C[C@@]1(CN[C@H]2CCCN(c3ccccc3Cl)C2)CC[NH2+]C1 ZINC000415083519 295855829 /nfs/dbraw/zinc/85/58/29/295855829.db2.gz NMKLTRHIPUYWEB-WMLDXEAASA-N 1 3 307.869 2.898 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCN(c2ccccn2)C1 ZINC000415079981 295855532 /nfs/dbraw/zinc/85/55/32/295855532.db2.gz IOOIEAJJNYNAKZ-IKGGRYGDSA-N 1 3 302.466 2.561 20 0 DFADHO CN1CCCN(CCC[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000105477099 398693516 /nfs/dbraw/zinc/69/35/16/398693516.db2.gz LUQCCJQEEHNYAU-UHFFFAOYSA-N 1 3 311.473 2.957 20 0 DFADHO CCCN1CCC([NH2+]Cc2ccc(OCCOC)cc2)CC1 ZINC000107313918 398701816 /nfs/dbraw/zinc/70/18/16/398701816.db2.gz BITZQOXORDQOBA-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO CCN1CCN(Cc2ccc(C[NH2+]CC(C)(C)C)cc2)CC1 ZINC000107801620 398704450 /nfs/dbraw/zinc/70/44/50/398704450.db2.gz SVPYRAMXRRHFSN-UHFFFAOYSA-N 1 3 303.494 2.960 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000236758267 201996185 /nfs/dbraw/zinc/99/61/85/201996185.db2.gz OCGWGRDSGLABOX-CRAIPNDOSA-N 1 3 317.477 2.703 20 0 DFADHO COCC[N@H+](C)CCCNCc1ccc(OCC2CC2)cc1 ZINC000276981756 213218512 /nfs/dbraw/zinc/21/85/12/213218512.db2.gz SPPFTUQJMCNQTP-UHFFFAOYSA-N 1 3 306.450 2.533 20 0 DFADHO COCC[N@@H+](C)CCCNCc1ccc(OCC2CC2)cc1 ZINC000276981756 213218514 /nfs/dbraw/zinc/21/85/14/213218514.db2.gz SPPFTUQJMCNQTP-UHFFFAOYSA-N 1 3 306.450 2.533 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C1(C[NH3+])CCCC1)c1ccccc1 ZINC000236818351 202025410 /nfs/dbraw/zinc/02/54/10/202025410.db2.gz XJOOWXUNQXVZSH-KRWDZBQOSA-N 1 3 317.477 2.705 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C[C@H]1C ZINC000591282624 398745644 /nfs/dbraw/zinc/74/56/44/398745644.db2.gz HUUABTLMQYOZSP-FXUDXRNXSA-N 1 3 308.466 2.619 20 0 DFADHO CN(C)Cc1cccc(CNC(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000415972703 295907554 /nfs/dbraw/zinc/90/75/54/295907554.db2.gz IPSYDHQETSVRBA-UHFFFAOYSA-N 1 3 312.417 2.529 20 0 DFADHO C[N@@H+]1CC[C@H](NCCN2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000367616177 283136008 /nfs/dbraw/zinc/13/60/08/283136008.db2.gz LKJJSPCPCXGCAU-AABGKKOBSA-N 1 3 313.489 2.507 20 0 DFADHO C[N@H+]1CC[C@H](NCCN2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000367616177 283136011 /nfs/dbraw/zinc/13/60/11/283136011.db2.gz LKJJSPCPCXGCAU-AABGKKOBSA-N 1 3 313.489 2.507 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000236883209 202050960 /nfs/dbraw/zinc/05/09/60/202050960.db2.gz DPTPVSLBNXKFBB-QAPCUYQASA-N 1 3 317.477 2.662 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000236883209 202050963 /nfs/dbraw/zinc/05/09/63/202050963.db2.gz DPTPVSLBNXKFBB-QAPCUYQASA-N 1 3 317.477 2.662 20 0 DFADHO CC(C)C[N@H+](CC(=O)NC1CCN(C2CC2)CC1)CC(C)(C)C ZINC000134449434 283187359 /nfs/dbraw/zinc/18/73/59/283187359.db2.gz LELXZQKATIHGKY-UHFFFAOYSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)C[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)CC(C)(C)C ZINC000134449434 283187363 /nfs/dbraw/zinc/18/73/63/283187363.db2.gz LELXZQKATIHGKY-UHFFFAOYSA-N 1 3 323.525 2.734 20 0 DFADHO C[NH+](C)CC[C@H](NC(=O)C[C@H](N)c1ccccc1)C(C)(C)C ZINC000236986430 202109236 /nfs/dbraw/zinc/10/92/36/202109236.db2.gz JHJBNPPVROCHHF-HOTGVXAUSA-N 1 3 305.466 2.559 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000237051301 202136147 /nfs/dbraw/zinc/13/61/47/202136147.db2.gz YMKXFWCZIBWQFV-QGZVFWFLSA-N 1 3 311.429 2.738 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CCC1 ZINC000178793997 198931961 /nfs/dbraw/zinc/93/19/61/198931961.db2.gz RQNHIAFSCNRJSN-HNNXBMFYSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000151330183 283281291 /nfs/dbraw/zinc/28/12/91/283281291.db2.gz WFKFVUFHWANSGD-JTDSTZFVSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cccc(Cn2ccnc2)c1 ZINC000151330183 283281294 /nfs/dbraw/zinc/28/12/94/283281294.db2.gz WFKFVUFHWANSGD-JTDSTZFVSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cccc(Cn2ccnc2)c1 ZINC000151330183 283281296 /nfs/dbraw/zinc/28/12/96/283281296.db2.gz WFKFVUFHWANSGD-JTDSTZFVSA-N 1 3 312.461 2.750 20 0 DFADHO COC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000125608978 398807927 /nfs/dbraw/zinc/80/79/27/398807927.db2.gz HZSUHYLYVNGATJ-HKUYNNGSSA-N 1 3 304.478 2.956 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594493387 398809032 /nfs/dbraw/zinc/80/90/32/398809032.db2.gz HLUNJUORJDLXLX-KBXCAEBGSA-N 1 3 316.445 2.782 20 0 DFADHO COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000125860666 398809204 /nfs/dbraw/zinc/80/92/04/398809204.db2.gz XRTJYGJZVRRXQE-MOPGFXCFSA-N 1 3 304.478 2.954 20 0 DFADHO CC(C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000594510515 398812992 /nfs/dbraw/zinc/81/29/92/398812992.db2.gz AFNFLQNAHQSKRZ-JYJNAYRXSA-N 1 3 310.482 2.817 20 0 DFADHO CC(C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000594510515 398812993 /nfs/dbraw/zinc/81/29/93/398812993.db2.gz AFNFLQNAHQSKRZ-JYJNAYRXSA-N 1 3 310.482 2.817 20 0 DFADHO CCn1cc([C@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)cn1 ZINC000179469034 199041539 /nfs/dbraw/zinc/04/15/39/199041539.db2.gz QVDZSVWWFGLGNS-HNNXBMFYSA-N 1 3 313.449 2.865 20 0 DFADHO CSCC[C@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000237334089 202235030 /nfs/dbraw/zinc/23/50/30/202235030.db2.gz MCRSCOKHWNAMID-INIZCTEOSA-N 1 3 321.490 2.691 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000468551771 299280320 /nfs/dbraw/zinc/28/03/20/299280320.db2.gz FBLRNHOXRLGQKV-RTBURBONSA-N 1 3 316.489 2.834 20 0 DFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187281889 200088412 /nfs/dbraw/zinc/08/84/12/200088412.db2.gz JETVFMNUHRJOKG-IAGOWNOFSA-N 1 3 315.461 2.558 20 0 DFADHO CCC[C@H](C)[NH+]1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000187677619 200143631 /nfs/dbraw/zinc/14/36/31/200143631.db2.gz LXWWBERJGBJDNY-SFHVURJKSA-N 1 3 303.494 2.925 20 0 DFADHO FC(F)COCC[NH2+][C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000188760459 200300705 /nfs/dbraw/zinc/30/07/05/200300705.db2.gz LTLXIWDBRLAGHY-ZACQAIPSSA-N 1 3 324.415 2.768 20 0 DFADHO FC(F)COCCN[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000188760459 200300707 /nfs/dbraw/zinc/30/07/07/200300707.db2.gz LTLXIWDBRLAGHY-ZACQAIPSSA-N 1 3 324.415 2.768 20 0 DFADHO FC(F)COCCN[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000188760459 200300709 /nfs/dbraw/zinc/30/07/09/200300709.db2.gz LTLXIWDBRLAGHY-ZACQAIPSSA-N 1 3 324.415 2.768 20 0 DFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417333003 296011197 /nfs/dbraw/zinc/01/11/97/296011197.db2.gz PCVNNGBKLPXJLK-HRCADAONSA-N 1 3 321.534 2.856 20 0 DFADHO C[C@H]([NH2+]CC1(N(C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000417356342 296013448 /nfs/dbraw/zinc/01/34/48/296013448.db2.gz PFVPUVGQLAZYEE-FUHWJXTLSA-N 1 3 301.478 2.581 20 0 DFADHO COc1cccc(C[C@@H]([NH2+]CC2=CCN(C)CC2)C2CC2)c1 ZINC000271897517 209306999 /nfs/dbraw/zinc/30/69/99/209306999.db2.gz UQTPMRJMHYKEJX-LJQANCHMSA-N 1 3 300.446 2.868 20 0 DFADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000271898683 209306880 /nfs/dbraw/zinc/30/68/80/209306880.db2.gz VBGLIQBNQOSJSH-AWEZNQCLSA-N 1 3 315.417 2.556 20 0 DFADHO CN1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@@H]2C1 ZINC000194541098 201247268 /nfs/dbraw/zinc/24/72/68/201247268.db2.gz PFXIVFOIBJUDJH-GASCZTMLSA-N 1 3 316.836 2.724 20 0 DFADHO CN1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@@H]2C1 ZINC000194541098 201247271 /nfs/dbraw/zinc/24/72/71/201247271.db2.gz PFXIVFOIBJUDJH-GASCZTMLSA-N 1 3 316.836 2.724 20 0 DFADHO CCCN1CCC([N@H+](C)Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417738564 296045541 /nfs/dbraw/zinc/04/55/41/296045541.db2.gz XEINQMYSPQHSPJ-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO CCCN1CCC([N@@H+](C)Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417738564 296045543 /nfs/dbraw/zinc/04/55/43/296045543.db2.gz XEINQMYSPQHSPJ-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO CC1(C)CN(C/C=C\C[N@@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000604999015 398988874 /nfs/dbraw/zinc/98/88/74/398988874.db2.gz CFDHABDJBUSEFV-WAYWQWQTSA-N 1 3 310.482 2.544 20 0 DFADHO CC1(C)CN(C/C=C\C[N@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000604999015 398988879 /nfs/dbraw/zinc/98/88/79/398988879.db2.gz CFDHABDJBUSEFV-WAYWQWQTSA-N 1 3 310.482 2.544 20 0 DFADHO CN(C)Cc1cccc(NC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000195348266 201383093 /nfs/dbraw/zinc/38/30/93/201383093.db2.gz GHUMGEZUMCBQPU-UHFFFAOYSA-N 1 3 301.434 2.561 20 0 DFADHO CC[C@@H](C)C[N@H+](CC)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475034591 299341314 /nfs/dbraw/zinc/34/13/14/299341314.db2.gz ODXSEUODIXIIJR-AEFFLSMTSA-N 1 3 319.493 2.774 20 0 DFADHO CC[C@@H](C)C[N@@H+](CC)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475034591 299341318 /nfs/dbraw/zinc/34/13/18/299341318.db2.gz ODXSEUODIXIIJR-AEFFLSMTSA-N 1 3 319.493 2.774 20 0 DFADHO CCn1cc(C[N@@H+]2CC[C@@H](n3c(C)nc4c3CCCC4)C2)cn1 ZINC000275386392 212302166 /nfs/dbraw/zinc/30/21/66/212302166.db2.gz AGOLMRSBWWOHBT-MRXNPFEDSA-N 1 3 313.449 2.734 20 0 DFADHO CCn1cc(C[N@H+]2CC[C@@H](n3c(C)nc4c3CCCC4)C2)cn1 ZINC000275386392 212302169 /nfs/dbraw/zinc/30/21/69/212302169.db2.gz AGOLMRSBWWOHBT-MRXNPFEDSA-N 1 3 313.449 2.734 20 0 DFADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000091333632 193041853 /nfs/dbraw/zinc/04/18/53/193041853.db2.gz ISULIQRDGFSNPQ-INIZCTEOSA-N 1 3 323.912 2.888 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000287087253 299365261 /nfs/dbraw/zinc/36/52/61/299365261.db2.gz PDHPZPWCAZKGKT-KFKAGJAMSA-N 1 3 320.477 2.971 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)N(C)C2CC2)cc1 ZINC000057709439 399056252 /nfs/dbraw/zinc/05/62/52/399056252.db2.gz SKOWMXDQDYAXNR-OAHLLOKOSA-N 1 3 317.477 2.741 20 0 DFADHO COCCCOc1cccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000092253960 193180394 /nfs/dbraw/zinc/18/03/94/193180394.db2.gz QRPJOIHVYYZMFU-GOSISDBHSA-N 1 3 320.477 2.876 20 0 DFADHO COCCCOc1cccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000092253960 193180396 /nfs/dbraw/zinc/18/03/96/193180396.db2.gz QRPJOIHVYYZMFU-GOSISDBHSA-N 1 3 320.477 2.876 20 0 DFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000268924431 296121820 /nfs/dbraw/zinc/12/18/20/296121820.db2.gz PKOLQHYFQUDPNI-HIFRSBDPSA-N 1 3 312.404 2.852 20 0 DFADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000268924431 296121822 /nfs/dbraw/zinc/12/18/22/296121822.db2.gz PKOLQHYFQUDPNI-HIFRSBDPSA-N 1 3 312.404 2.852 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccsc1 ZINC000261656874 203089273 /nfs/dbraw/zinc/08/92/73/203089273.db2.gz DWCQKOVCSFDXAR-IMJJTQAJSA-N 1 3 323.506 2.765 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000261811144 203122548 /nfs/dbraw/zinc/12/25/48/203122548.db2.gz ZRSWQSCREHMQKV-UAGQMJEPSA-N 1 3 301.434 2.607 20 0 DFADHO CCC[C@@](C)(N)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000262133713 203207346 /nfs/dbraw/zinc/20/73/46/203207346.db2.gz NHXBSPFQSKFYJU-LJQANCHMSA-N 1 3 317.477 2.593 20 0 DFADHO C[C@H]1C[C@@H](C(=O)Nc2cccc(CN3CCCCC3)c2)CC[NH2+]1 ZINC000262345398 203269722 /nfs/dbraw/zinc/26/97/22/203269722.db2.gz GQHWSYHAHCANEM-RDJZCZTQSA-N 1 3 315.461 2.999 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000262372613 203277727 /nfs/dbraw/zinc/27/77/27/203277727.db2.gz KFYCJVMJXARENX-RYQLBKOJSA-N 1 3 317.477 2.574 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340200978 284160479 /nfs/dbraw/zinc/16/04/79/284160479.db2.gz HGAHRNKVXYBBRJ-LSDHHAIUSA-N 1 3 316.367 2.990 20 0 DFADHO C[N@H+]1CC[C@H](NCCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340200978 284160482 /nfs/dbraw/zinc/16/04/82/284160482.db2.gz HGAHRNKVXYBBRJ-LSDHHAIUSA-N 1 3 316.367 2.990 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@]1(C)CCCO1 ZINC000340270359 284165604 /nfs/dbraw/zinc/16/56/04/284165604.db2.gz AWDIVFOAYBDWDC-QAPCUYQASA-N 1 3 303.450 2.845 20 0 DFADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000093639465 193279450 /nfs/dbraw/zinc/27/94/50/193279450.db2.gz NMZGYQLKCFSDDA-AEFFLSMTSA-N 1 3 320.477 2.874 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000093639465 193279451 /nfs/dbraw/zinc/27/94/51/193279451.db2.gz NMZGYQLKCFSDDA-AEFFLSMTSA-N 1 3 320.477 2.874 20 0 DFADHO CCN1CCN(c2ccccc2C[N@H+](C)CCSC)CC1 ZINC000093509596 193261222 /nfs/dbraw/zinc/26/12/22/193261222.db2.gz WPNZYZNIWNYJHP-UHFFFAOYSA-N 1 3 307.507 2.623 20 0 DFADHO CCN1CCN(c2ccccc2C[N@@H+](C)CCSC)CC1 ZINC000093509596 193261224 /nfs/dbraw/zinc/26/12/24/193261224.db2.gz WPNZYZNIWNYJHP-UHFFFAOYSA-N 1 3 307.507 2.623 20 0 DFADHO COC(=O)c1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000595895937 399126644 /nfs/dbraw/zinc/12/66/44/399126644.db2.gz WQYQEMGVJSXBHF-HUUCEWRRSA-N 1 3 322.474 2.746 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cccn3C)CC2)C[C@@H](C)O1 ZINC000093844462 193317048 /nfs/dbraw/zinc/31/70/48/193317048.db2.gz UXBLKRRZCKNXCH-IAGOWNOFSA-N 1 3 319.493 2.736 20 0 DFADHO [NH3+]CCCOC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000094072896 193343633 /nfs/dbraw/zinc/34/36/33/193343633.db2.gz ZDXVZTGNGTYSIQ-UHFFFAOYSA-N 1 3 312.841 2.549 20 0 DFADHO CCC[C@@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)N(C)C ZINC000094128089 193346352 /nfs/dbraw/zinc/34/63/52/193346352.db2.gz SRDMHNDOTQREEQ-SFHVURJKSA-N 1 3 319.493 2.873 20 0 DFADHO CCC[C@@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)N(C)C ZINC000094128089 193346354 /nfs/dbraw/zinc/34/63/54/193346354.db2.gz SRDMHNDOTQREEQ-SFHVURJKSA-N 1 3 319.493 2.873 20 0 DFADHO CSc1ccc([C@H](C[NH2+][C@@H]2CCN(C)C[C@H]2C)N(C)C)cc1 ZINC000340530696 284189535 /nfs/dbraw/zinc/18/95/35/284189535.db2.gz GDQIDPGKYVXMJO-OLMNPRSZSA-N 1 3 321.534 2.941 20 0 DFADHO CSc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000340530696 284189538 /nfs/dbraw/zinc/18/95/38/284189538.db2.gz GDQIDPGKYVXMJO-OLMNPRSZSA-N 1 3 321.534 2.941 20 0 DFADHO CSc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000340530696 284189542 /nfs/dbraw/zinc/18/95/42/284189542.db2.gz GDQIDPGKYVXMJO-OLMNPRSZSA-N 1 3 321.534 2.941 20 0 DFADHO Cc1cc(NC[C@@H]2CCC[NH2+]C2)c2cc(OC(F)F)ccc2n1 ZINC000420170350 296160385 /nfs/dbraw/zinc/16/03/85/296160385.db2.gz MYKODSGVKOBHIN-GFCCVEGCSA-N 1 3 321.371 2.978 20 0 DFADHO CCOc1cc2nccc(N(C)[C@H](C)C[NH3+])c2cc1OCC ZINC000420191538 296161492 /nfs/dbraw/zinc/16/14/92/296161492.db2.gz RRSVYXQOLDKAIN-GFCCVEGCSA-N 1 3 303.406 2.816 20 0 DFADHO Cc1ccc(CCCN(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000182272637 399143072 /nfs/dbraw/zinc/14/30/72/399143072.db2.gz PCPYRADDPNWKKN-UHFFFAOYSA-N 1 3 317.521 2.885 20 0 DFADHO Cc1ccc(CCCN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000182272637 399143077 /nfs/dbraw/zinc/14/30/77/399143077.db2.gz PCPYRADDPNWKKN-UHFFFAOYSA-N 1 3 317.521 2.885 20 0 DFADHO CCOc1ccccc1NC(=O)CCN(C)CC[C@@H]([NH3+])C(C)C ZINC000420295357 296170403 /nfs/dbraw/zinc/17/04/03/296170403.db2.gz VHWOYCNRTCOQBR-OAHLLOKOSA-N 1 3 321.465 2.719 20 0 DFADHO Cc1cccc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420296453 296170837 /nfs/dbraw/zinc/17/08/37/296170837.db2.gz DPSKMQPHFJCCAB-SFHVURJKSA-N 1 3 301.478 2.502 20 0 DFADHO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420299285 296171388 /nfs/dbraw/zinc/17/13/88/296171388.db2.gz IRJOCBSCDZRXSB-CZGNIMDHSA-N 1 3 324.468 2.795 20 0 DFADHO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420299285 296171389 /nfs/dbraw/zinc/17/13/89/296171389.db2.gz IRJOCBSCDZRXSB-CZGNIMDHSA-N 1 3 324.468 2.795 20 0 DFADHO CCS[C@H]1CCCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420299231 296171392 /nfs/dbraw/zinc/17/13/92/296171392.db2.gz ILGPRGVYSQOHBW-BZSNNMDCSA-N 1 3 322.518 2.525 20 0 DFADHO CCS[C@H]1CCCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420299231 296171393 /nfs/dbraw/zinc/17/13/93/296171393.db2.gz ILGPRGVYSQOHBW-BZSNNMDCSA-N 1 3 322.518 2.525 20 0 DFADHO CCN(CC)CC(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000061606977 399160661 /nfs/dbraw/zinc/16/06/61/399160661.db2.gz ABQFTAWGOXPRQD-UHFFFAOYSA-N 1 3 323.525 2.830 20 0 DFADHO COC(=O)CCC[N@@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000420304598 296172115 /nfs/dbraw/zinc/17/21/15/296172115.db2.gz FDFLAYBHKWDVBG-QZTJIDSGSA-N 1 3 318.461 2.612 20 0 DFADHO COC(=O)CCC[N@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000420304598 296172116 /nfs/dbraw/zinc/17/21/16/296172116.db2.gz FDFLAYBHKWDVBG-QZTJIDSGSA-N 1 3 318.461 2.612 20 0 DFADHO Clc1ccc(CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000420307940 296172796 /nfs/dbraw/zinc/17/27/96/296172796.db2.gz RSJADSHKSWCPEL-ZDUSSCGKSA-N 1 3 313.898 2.519 20 0 DFADHO O=C(c1ccc(F)cc1)[C@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420312289 296173359 /nfs/dbraw/zinc/17/33/59/296173359.db2.gz WQNDRNWJNBBYAF-ZBFHGGJFSA-N 1 3 304.409 2.720 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOc3ccc(Cl)c(F)c3)C[C@@H]21 ZINC000420313484 296173849 /nfs/dbraw/zinc/17/38/49/296173849.db2.gz UCEFFYLGBFHJGJ-PVXIVEMSSA-N 1 3 312.816 2.917 20 0 DFADHO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420315115 296173853 /nfs/dbraw/zinc/17/38/53/296173853.db2.gz ZRLRVCVQJLECSW-CZGNIMDHSA-N 1 3 324.468 2.795 20 0 DFADHO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420315115 296173854 /nfs/dbraw/zinc/17/38/54/296173854.db2.gz ZRLRVCVQJLECSW-CZGNIMDHSA-N 1 3 324.468 2.795 20 0 DFADHO CCOC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000420314807 296173859 /nfs/dbraw/zinc/17/38/59/296173859.db2.gz QVTVSEBKBOHBMK-MSOLQXFVSA-N 1 3 318.461 2.612 20 0 DFADHO CCOC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000420314807 296173861 /nfs/dbraw/zinc/17/38/61/296173861.db2.gz QVTVSEBKBOHBMK-MSOLQXFVSA-N 1 3 318.461 2.612 20 0 DFADHO Clc1cccc([C@@H]2CNCCN2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420322560 296174738 /nfs/dbraw/zinc/17/47/38/296174738.db2.gz WSKYJUJFCADDLK-PBHICJAKSA-N 1 3 307.869 2.676 20 0 DFADHO CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420317755 296174194 /nfs/dbraw/zinc/17/41/94/296174194.db2.gz NVZUCVHJAXRHQN-PMACEKPBSA-N 1 3 312.457 2.828 20 0 DFADHO CC(C)[N@H+](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420317755 296174195 /nfs/dbraw/zinc/17/41/95/296174195.db2.gz NVZUCVHJAXRHQN-PMACEKPBSA-N 1 3 312.457 2.828 20 0 DFADHO CC(C)N(Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420317755 296174197 /nfs/dbraw/zinc/17/41/97/296174197.db2.gz NVZUCVHJAXRHQN-PMACEKPBSA-N 1 3 312.457 2.828 20 0 DFADHO c1ccc2c(c1)cccc2[C@H]1CCC[N@H+]1CCN1CCNCC1 ZINC000420320013 296174305 /nfs/dbraw/zinc/17/43/05/296174305.db2.gz PZUHRKRZSWKWMH-HXUWFJFHSA-N 1 3 309.457 2.882 20 0 DFADHO c1ccc2c(c1)cccc2[C@H]1CCC[N@@H+]1CCN1CCNCC1 ZINC000420320013 296174306 /nfs/dbraw/zinc/17/43/06/296174306.db2.gz PZUHRKRZSWKWMH-HXUWFJFHSA-N 1 3 309.457 2.882 20 0 DFADHO C[C@H](C(=O)Nc1cccc(Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327689 296176267 /nfs/dbraw/zinc/17/62/67/296176267.db2.gz DNWLSXNEVMQGPP-MCIONIFRSA-N 1 3 321.852 2.598 20 0 DFADHO COc1cccc(CN(CC[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420328526 296176014 /nfs/dbraw/zinc/17/60/14/296176014.db2.gz ZUPCVOOWLVVSPU-APWZRJJASA-N 1 3 318.461 2.676 20 0 DFADHO c1cc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)co1 ZINC000420342554 296177671 /nfs/dbraw/zinc/17/76/71/296177671.db2.gz RAFQKSLTWGQWAF-BETUJISGSA-N 1 3 303.431 2.835 20 0 DFADHO CN1CCN(CC[NH2+]Cc2cc3ccccc3o2)CC1(C)C ZINC000282514228 217053404 /nfs/dbraw/zinc/05/34/04/217053404.db2.gz XSHSQNSVJMJSCF-UHFFFAOYSA-N 1 3 301.434 2.548 20 0 DFADHO CN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000282523412 217059621 /nfs/dbraw/zinc/05/96/21/217059621.db2.gz UTMZDIHVAOVBEQ-LJQANCHMSA-N 1 3 315.505 2.971 20 0 DFADHO c1ccc(CC[C@@H]2CN(CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420358003 296179727 /nfs/dbraw/zinc/17/97/27/296179727.db2.gz IOSWLZKBRRWWLP-LJQANCHMSA-N 1 3 302.462 2.710 20 0 DFADHO c1ccc(CC[C@H]2CN(CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364342 296180464 /nfs/dbraw/zinc/18/04/64/296180464.db2.gz QOIBFQRMLLSCBE-MOPGFXCFSA-N 1 3 302.462 2.710 20 0 DFADHO CC1CC[NH+](Cc2ccc(NC(=O)/C=C/CN(C)C)cc2)CC1 ZINC000265640889 204759842 /nfs/dbraw/zinc/75/98/42/204759842.db2.gz LWSBVFJYZGVNGB-SNAWJCMRSA-N 1 3 315.461 2.975 20 0 DFADHO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420372322 296181890 /nfs/dbraw/zinc/18/18/90/296181890.db2.gz FCQXDBCJFNOWHD-DLBZAZTESA-N 1 3 317.412 2.664 20 0 DFADHO CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420372322 296181892 /nfs/dbraw/zinc/18/18/92/296181892.db2.gz FCQXDBCJFNOWHD-DLBZAZTESA-N 1 3 317.412 2.664 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420375763 296182849 /nfs/dbraw/zinc/18/28/49/296182849.db2.gz UJVSAOKNWUEXHO-KRWDZBQOSA-N 1 3 321.440 2.960 20 0 DFADHO Cn1c2ccccc2nc1CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420378068 296183254 /nfs/dbraw/zinc/18/32/54/296183254.db2.gz BBWLAKZYJNYAMB-NVXWUHKLSA-N 1 3 312.461 2.580 20 0 DFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOC3CCCCCC3)CC2)C1 ZINC000420384766 296183877 /nfs/dbraw/zinc/18/38/77/296183877.db2.gz GTORBBFFKCETRK-PKOBYXMFSA-N 1 3 324.509 2.944 20 0 DFADHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1F ZINC000420387765 296184563 /nfs/dbraw/zinc/18/45/63/296184563.db2.gz GNMYUXHSWXWYEV-YOEHRIQHSA-N 1 3 319.424 2.618 20 0 DFADHO COc1cccc([C@H](C)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420385724 296184566 /nfs/dbraw/zinc/18/45/66/296184566.db2.gz HWPBFAIMNZYPHK-POZUXBRTSA-N 1 3 318.461 2.975 20 0 DFADHO Cc1cccc(OCCN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420395909 296185650 /nfs/dbraw/zinc/18/56/50/296185650.db2.gz UURAAAOVKAYFEK-HKUYNNGSSA-N 1 3 318.461 2.592 20 0 DFADHO CC(C)(C)[C@H](NCCN1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000420401815 296186472 /nfs/dbraw/zinc/18/64/72/296186472.db2.gz JNEBGJYZRDRHHI-MRXNPFEDSA-N 1 3 311.420 2.547 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000486968768 299434757 /nfs/dbraw/zinc/43/47/57/299434757.db2.gz OOLZSPIMPICOCN-AEFFLSMTSA-N 1 3 316.493 2.618 20 0 DFADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282802936 217260873 /nfs/dbraw/zinc/26/08/73/217260873.db2.gz NIQYCOMSBSIDKH-ZDUSSCGKSA-N 1 3 304.463 2.532 20 0 DFADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282802936 217260876 /nfs/dbraw/zinc/26/08/76/217260876.db2.gz NIQYCOMSBSIDKH-ZDUSSCGKSA-N 1 3 304.463 2.532 20 0 DFADHO Cc1ccoc1CNCCc1ccc(OCC[NH+](C)C)cc1 ZINC000266227194 205198622 /nfs/dbraw/zinc/19/86/22/205198622.db2.gz SOKDAWMRZCSLEQ-UHFFFAOYSA-N 1 3 302.418 2.861 20 0 DFADHO COC(=O)[C@H]1CC[C@@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000365308435 284381711 /nfs/dbraw/zinc/38/17/11/284381711.db2.gz QGKJZBQFMFDFIU-CYGHRXIMSA-N 1 3 322.493 2.961 20 0 DFADHO COC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000365308435 284381714 /nfs/dbraw/zinc/38/17/14/284381714.db2.gz QGKJZBQFMFDFIU-CYGHRXIMSA-N 1 3 322.493 2.961 20 0 DFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282985522 217372311 /nfs/dbraw/zinc/37/23/11/217372311.db2.gz FAYHNGQEHYJLQL-WDSOQIARSA-N 1 3 315.505 2.794 20 0 DFADHO CCCCOc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000342727739 284395816 /nfs/dbraw/zinc/39/58/16/284395816.db2.gz IAHGFIPXXQAUCQ-FUHWJXTLSA-N 1 3 320.477 2.973 20 0 DFADHO O[C@H]1C[C@@H](CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000420945216 296216146 /nfs/dbraw/zinc/21/61/46/296216146.db2.gz YQKNZYMJJLGZTK-ZRNYENFQSA-N 1 3 314.473 2.744 20 0 DFADHO O[C@H]1C[C@@H](CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000420945216 296216147 /nfs/dbraw/zinc/21/61/47/296216147.db2.gz YQKNZYMJJLGZTK-ZRNYENFQSA-N 1 3 314.473 2.744 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C3CCCC3)C2)CC1 ZINC000420960574 296218188 /nfs/dbraw/zinc/21/81/88/296218188.db2.gz GVBAMZMQVNHLNB-LJQANCHMSA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C3CCCC3)C2)CC1 ZINC000420960574 296218189 /nfs/dbraw/zinc/21/81/89/296218189.db2.gz GVBAMZMQVNHLNB-LJQANCHMSA-N 1 3 307.526 2.915 20 0 DFADHO COc1ccccc1/C=C\CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000344627874 284659309 /nfs/dbraw/zinc/65/93/09/284659309.db2.gz GHJQOZCLGUIXQP-VURMDHGXSA-N 1 3 318.461 2.533 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C)nc(C)c2)[C@H](C)C1 ZINC000421879455 296278516 /nfs/dbraw/zinc/27/85/16/296278516.db2.gz NEWDAWXDVLQENE-DNVCBOLYSA-N 1 3 319.493 2.925 20 0 DFADHO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284510690 218058841 /nfs/dbraw/zinc/05/88/41/218058841.db2.gz YJFOWWAUCDFKOH-LSDHHAIUSA-N 1 3 306.450 2.673 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000271885114 209296100 /nfs/dbraw/zinc/29/61/00/209296100.db2.gz QJXFRSJXWUIGTA-HNNXBMFYSA-N 1 3 301.434 2.564 20 0 DFADHO COC(=O)c1ccc(CNCCCCC[NH+]2CCCCC2)n1C ZINC000602004012 399380591 /nfs/dbraw/zinc/38/05/91/399380591.db2.gz DGZVAXXEHZBPSQ-UHFFFAOYSA-N 1 3 321.465 2.558 20 0 DFADHO CC[C@@H]([NH2+]CC[C@@H](N)Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000602018357 399385180 /nfs/dbraw/zinc/38/51/80/399385180.db2.gz AOAXATATUWUHAG-IAGOWNOFSA-N 1 3 318.461 2.658 20 0 DFADHO CC[C@@H](NCC[C@@H]([NH3+])Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000602018357 399385185 /nfs/dbraw/zinc/38/51/85/399385185.db2.gz AOAXATATUWUHAG-IAGOWNOFSA-N 1 3 318.461 2.658 20 0 DFADHO CN(C)Cc1cc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)ccc1F ZINC000623421086 399385644 /nfs/dbraw/zinc/38/56/44/399385644.db2.gz ZJDYUINYAVQHCX-INIZCTEOSA-N 1 3 307.457 2.850 20 0 DFADHO CN(C)Cc1cc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)ccc1F ZINC000623421086 399385647 /nfs/dbraw/zinc/38/56/47/399385647.db2.gz ZJDYUINYAVQHCX-INIZCTEOSA-N 1 3 307.457 2.850 20 0 DFADHO CN(C)Cc1cc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)ccc1F ZINC000623421086 399385648 /nfs/dbraw/zinc/38/56/48/399385648.db2.gz ZJDYUINYAVQHCX-INIZCTEOSA-N 1 3 307.457 2.850 20 0 DFADHO C[N@@H+]1CC[C@@H](N[C@@H](CO)Cc2c[nH]c3ccccc23)CC1(C)C ZINC000623421717 399385971 /nfs/dbraw/zinc/38/59/71/399385971.db2.gz XLCIKELKUYKJRR-HZPDHXFCSA-N 1 3 315.461 2.534 20 0 DFADHO C[N@H+]1CC[C@@H](N[C@@H](CO)Cc2c[nH]c3ccccc23)CC1(C)C ZINC000623421717 399385975 /nfs/dbraw/zinc/38/59/75/399385975.db2.gz XLCIKELKUYKJRR-HZPDHXFCSA-N 1 3 315.461 2.534 20 0 DFADHO [NH3+]C[C@H]1CN(Cc2cccc(C3CC3)c2)CC12CCOCC2 ZINC000422557627 296312015 /nfs/dbraw/zinc/31/20/15/296312015.db2.gz WTRIOMVRUDYPJI-SFHVURJKSA-N 1 3 300.446 2.751 20 0 DFADHO CN1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000268838711 207004262 /nfs/dbraw/zinc/00/42/62/207004262.db2.gz BVPRTFTZNXWPHB-VQTJNVASSA-N 1 3 315.505 2.940 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1CN ZINC000422560989 296312796 /nfs/dbraw/zinc/31/27/96/296312796.db2.gz IIFVOGOPFNIHRP-IIDMSEBBSA-N 1 3 302.462 2.859 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1CN ZINC000422560989 296312798 /nfs/dbraw/zinc/31/27/98/296312798.db2.gz IIFVOGOPFNIHRP-IIDMSEBBSA-N 1 3 302.462 2.859 20 0 DFADHO C[C@@H]1C[C@@H](C)N(CCCc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000422560989 296312800 /nfs/dbraw/zinc/31/28/00/296312800.db2.gz IIFVOGOPFNIHRP-IIDMSEBBSA-N 1 3 302.462 2.859 20 0 DFADHO c1ccc(CC[NH+]2CCC(NCCOCC3CC3)CC2)cc1 ZINC000268870976 207040105 /nfs/dbraw/zinc/04/01/05/207040105.db2.gz GEFWLGOYWOBQKL-UHFFFAOYSA-N 1 3 302.462 2.710 20 0 DFADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)[C@H](C)OC)CC2)cc1 ZINC000268879309 207048844 /nfs/dbraw/zinc/04/88/44/207048844.db2.gz FGNGNUNVUMEYGG-HOTGVXAUSA-N 1 3 320.477 2.920 20 0 DFADHO Cn1c2ccccc2nc1CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000268901176 207068996 /nfs/dbraw/zinc/06/89/96/207068996.db2.gz UNBKSCSTAHHRMH-DOTOQJQBSA-N 1 3 312.461 2.532 20 0 DFADHO Cn1c2ccccc2nc1CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000268901176 207069001 /nfs/dbraw/zinc/06/90/01/207069001.db2.gz UNBKSCSTAHHRMH-DOTOQJQBSA-N 1 3 312.461 2.532 20 0 DFADHO Cn1c2ccccc2nc1CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000268901176 207069006 /nfs/dbraw/zinc/06/90/06/207069006.db2.gz UNBKSCSTAHHRMH-DOTOQJQBSA-N 1 3 312.461 2.532 20 0 DFADHO Cn1c2ccccc2nc1CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000268901176 207069010 /nfs/dbraw/zinc/06/90/10/207069010.db2.gz UNBKSCSTAHHRMH-DOTOQJQBSA-N 1 3 312.461 2.532 20 0 DFADHO COc1ccc(CCC[NH2+][C@H]2CCCC[C@@H]2CN)cc1OC ZINC000422699165 296318298 /nfs/dbraw/zinc/31/82/98/296318298.db2.gz AHEXUUPDTBLVPX-CVEARBPZSA-N 1 3 306.450 2.744 20 0 DFADHO Cc1cccc2oc(CCN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)nc21 ZINC000268916851 207083451 /nfs/dbraw/zinc/08/34/51/207083451.db2.gz JEAFCGQNSAVOQN-RBSFLKMASA-N 1 3 301.434 2.997 20 0 DFADHO Cc1cccc2oc(CCN[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)nc21 ZINC000268916851 207083455 /nfs/dbraw/zinc/08/34/55/207083455.db2.gz JEAFCGQNSAVOQN-RBSFLKMASA-N 1 3 301.434 2.997 20 0 DFADHO C[C@H](NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422703004 296318552 /nfs/dbraw/zinc/31/85/52/296318552.db2.gz MBKUKWORVDMOFE-QFBILLFUSA-N 1 3 315.505 2.944 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)[C@H]1CCCCN1 ZINC000422703004 296318553 /nfs/dbraw/zinc/31/85/53/296318553.db2.gz MBKUKWORVDMOFE-QFBILLFUSA-N 1 3 315.505 2.944 20 0 DFADHO CC[NH+]1CCC(N[C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000159314875 197344798 /nfs/dbraw/zinc/34/47/98/197344798.db2.gz FFILNVSXNCKLBC-OAHLLOKOSA-N 1 3 315.461 2.948 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000422707554 296319247 /nfs/dbraw/zinc/31/92/47/296319247.db2.gz ALEDHQYAXAQQIZ-GDBMZVCRSA-N 1 3 313.401 2.749 20 0 DFADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422712921 296320240 /nfs/dbraw/zinc/32/02/40/296320240.db2.gz IXSWWVUTXAQXJO-XGXHKWSGSA-N 1 3 313.489 2.948 20 0 DFADHO C[C@H](C(=O)NC1CCC(C)CC1)N1CCC(CC[NH+](C)C)CC1 ZINC000056522628 184015059 /nfs/dbraw/zinc/01/50/59/184015059.db2.gz YCBFWIHSNLBXRC-UPTPFMHGSA-N 1 3 323.525 2.734 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)N1CCc2ccccc21 ZINC000422710227 296319720 /nfs/dbraw/zinc/31/97/20/296319720.db2.gz FJLXTPPUFHWKJJ-CABCVRRESA-N 1 3 324.472 2.951 20 0 DFADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CN)N1CCc2ccccc2C1 ZINC000422709962 296319780 /nfs/dbraw/zinc/31/97/80/296319780.db2.gz ZZWWFQKFKNOPRR-FUHWJXTLSA-N 1 3 301.478 2.540 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422713563 296320086 /nfs/dbraw/zinc/32/00/86/296320086.db2.gz PXCJFDQKCHEKIG-RCCFBDPRSA-N 1 3 320.452 2.850 20 0 DFADHO COc1ccc(CCN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1F ZINC000422714521 296320729 /nfs/dbraw/zinc/32/07/29/296320729.db2.gz RDVJSSWZNNMOKF-KDOFPFPSSA-N 1 3 316.420 2.925 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc2c(c1)CCCC2 ZINC000268955448 207120004 /nfs/dbraw/zinc/12/00/04/207120004.db2.gz DIRGUNFOXOZEAB-OAHLLOKOSA-N 1 3 302.462 2.673 20 0 DFADHO CCC(CC)C(=O)N1CCC(N[C@@H](CC)[C@H]2CCCC[NH2+]2)CC1 ZINC000422723527 296321806 /nfs/dbraw/zinc/32/18/06/296321806.db2.gz RRYSJUPAIKZZGB-ZWKOTPCHSA-N 1 3 323.525 2.924 20 0 DFADHO Cc1cc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)ncc1Br ZINC000623560368 399416582 /nfs/dbraw/zinc/41/65/82/399416582.db2.gz CQEQJKOSINNGCC-BJHJDKERSA-N 1 3 312.255 2.582 20 0 DFADHO C/C(=C/c1ccccc1)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000602277245 399418000 /nfs/dbraw/zinc/41/80/00/399418000.db2.gz GZYCRFJZRMVDEL-FCUDFIOSSA-N 1 3 313.489 2.848 20 0 DFADHO CN1C[C@@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000623557584 399415629 /nfs/dbraw/zinc/41/56/29/399415629.db2.gz BFURHOLEIOMOJK-QRVBRYPASA-N 1 3 315.505 2.794 20 0 DFADHO CC(C)COc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000268990098 207147328 /nfs/dbraw/zinc/14/73/28/207147328.db2.gz MGYJOQVMPBKECP-MRXNPFEDSA-N 1 3 320.477 2.829 20 0 DFADHO COc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422729031 296322733 /nfs/dbraw/zinc/32/27/33/296322733.db2.gz HFHMYQYMHDDWKX-GFCCVEGCSA-N 1 3 315.417 2.717 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cc(F)cc(Br)c1 ZINC000422730482 296323107 /nfs/dbraw/zinc/32/31/07/296323107.db2.gz JTUQXFGMSGABTE-GXFFZTMASA-N 1 3 301.203 2.805 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000269003507 207157325 /nfs/dbraw/zinc/15/73/25/207157325.db2.gz PWOALCGTZUHLDT-ROUUACIJSA-N 1 3 302.462 2.759 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cccc(OCCN(C)C)c1 ZINC000269048582 207198132 /nfs/dbraw/zinc/19/81/32/207198132.db2.gz WZZZZGYVGIAZLK-WDYCEAGBSA-N 1 3 320.477 2.829 20 0 DFADHO COc1cc(C)c(C[NH2+]C[C@H]2CCCCN(C)C2)cc1OC ZINC000623656060 399437110 /nfs/dbraw/zinc/43/71/10/399437110.db2.gz MAHBPNFRVYHDEI-OAHLLOKOSA-N 1 3 306.450 2.834 20 0 DFADHO COc1ccc([C@H](NC[C@H](C)N(C)C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422732686 296323558 /nfs/dbraw/zinc/32/35/58/296323558.db2.gz AGZUIQWGJOUJIN-JVPBZIDWSA-N 1 3 317.477 2.561 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)CCc1ccc(Br)cc1)C1CNC1 ZINC000422739528 296324449 /nfs/dbraw/zinc/32/44/49/296324449.db2.gz LQSLUGSIGNJKPT-NWDGAFQWSA-N 1 3 311.267 2.968 20 0 DFADHO C[C@@H](N[C@@H](C)CCc1ccc(Br)cc1)C1C[NH2+]C1 ZINC000422739528 296324450 /nfs/dbraw/zinc/32/44/50/296324450.db2.gz LQSLUGSIGNJKPT-NWDGAFQWSA-N 1 3 311.267 2.968 20 0 DFADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1C ZINC000422736185 296323884 /nfs/dbraw/zinc/32/38/84/296323884.db2.gz FTAWEBAGHNEOFJ-DOPJRALCSA-N 1 3 315.461 2.935 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000422738251 296324204 /nfs/dbraw/zinc/32/42/04/296324204.db2.gz JHQXRVVPMJVKCY-IPMKNSEASA-N 1 3 301.478 2.901 20 0 DFADHO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000422737447 296324217 /nfs/dbraw/zinc/32/42/17/296324217.db2.gz IGMJSXCYDMCAMP-CWQOZTLDSA-N 1 3 321.509 2.534 20 0 DFADHO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000422745766 296325201 /nfs/dbraw/zinc/32/52/01/296325201.db2.gz MUXNZJWGTGYJRS-SZVBFZGTSA-N 1 3 301.478 2.929 20 0 DFADHO COc1ccccc1[C@H](CN[C@H]1CCC[NH2+]CC1)N1CCCC1 ZINC000422748640 296325670 /nfs/dbraw/zinc/32/56/70/296325670.db2.gz VMAIWVSRSYHCTR-WMZOPIPTSA-N 1 3 317.477 2.564 20 0 DFADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CCCCN1 ZINC000269231792 207356623 /nfs/dbraw/zinc/35/66/23/207356623.db2.gz DEODWGSVRMMTOU-SFHVURJKSA-N 1 3 315.461 2.796 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422750571 296326210 /nfs/dbraw/zinc/32/62/10/296326210.db2.gz AAYXPSMRCALANW-HFTRVMKXSA-N 1 3 305.441 2.772 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000422754939 296327291 /nfs/dbraw/zinc/32/72/91/296327291.db2.gz GJQSDQOAJLPYEV-VYDXJSESSA-N 1 3 305.441 2.691 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCN1CCCCCC1=O ZINC000422760006 296327982 /nfs/dbraw/zinc/32/79/82/296327982.db2.gz PTMMGVLINWENCD-DLBZAZTESA-N 1 3 309.498 2.680 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](CO)Cc1ccccc1 ZINC000422757073 296327736 /nfs/dbraw/zinc/32/77/36/296327736.db2.gz JIFAPZLNHPQODS-BHIYHBOVSA-N 1 3 304.478 2.738 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](CO)Cc1ccc(F)cc1 ZINC000422762124 296328918 /nfs/dbraw/zinc/32/89/18/296328918.db2.gz NNVSQDFJQAXDRA-SUMDDJOVSA-N 1 3 322.468 2.877 20 0 DFADHO COc1ccc([C@H](CN[C@@H](C)C[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000422764195 296329140 /nfs/dbraw/zinc/32/91/40/296329140.db2.gz UWFDYSJMYDWVRX-MPGHIAIKSA-N 1 3 305.466 2.548 20 0 DFADHO COc1ccc(OC)c(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422768888 296329923 /nfs/dbraw/zinc/32/99/23/296329923.db2.gz VBDHPQOKTOWRMK-RCCFBDPRSA-N 1 3 318.461 2.757 20 0 DFADHO COc1ccc(OC)c(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422768885 296329953 /nfs/dbraw/zinc/32/99/53/296329953.db2.gz VBDHPQOKTOWRMK-KSZLIROESA-N 1 3 318.461 2.757 20 0 DFADHO COc1ccc([C@H](CN[C@@H](C)C[C@@H](C)[NH3+])N2CCCCC2)cc1 ZINC000422769177 296330031 /nfs/dbraw/zinc/33/00/31/296330031.db2.gz UTEZNCGNAQIHTL-GJYPPUQNSA-N 1 3 319.493 2.938 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000422771648 296330241 /nfs/dbraw/zinc/33/02/41/296330241.db2.gz XPIZXRXQIRKQDZ-LWYYNNOASA-N 1 3 316.489 2.738 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1cccs1)N(C)C ZINC000422769931 296330360 /nfs/dbraw/zinc/33/03/60/296330360.db2.gz VPHKPYWBPKDQQS-BLLLJJGKSA-N 1 3 318.490 2.864 20 0 DFADHO Cc1nccn1CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000422778410 296331377 /nfs/dbraw/zinc/33/13/77/296331377.db2.gz HKLICRUAPYSASD-KZNAEPCWSA-N 1 3 304.482 2.872 20 0 DFADHO Cc1nccn1CCCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000422778059 296331654 /nfs/dbraw/zinc/33/16/54/296331654.db2.gz HBFHYIMVCAUUAN-QAPCUYQASA-N 1 3 300.450 2.520 20 0 DFADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422788388 296333060 /nfs/dbraw/zinc/33/30/60/296333060.db2.gz AMHPYAJFTCGMGQ-WMLDXEAASA-N 1 3 303.450 2.759 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCOCC1CCOCC1 ZINC000422791935 296333620 /nfs/dbraw/zinc/33/36/20/296333620.db2.gz WPAZGGHBLMOOMO-FUHWJXTLSA-N 1 3 312.498 2.720 20 0 DFADHO COc1ccc2cc(CN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])ccc2c1 ZINC000422797759 296334915 /nfs/dbraw/zinc/33/49/15/296334915.db2.gz OJQAQAMLLWMSMM-FASAQXTFSA-N 1 3 314.429 2.690 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000422797251 296334941 /nfs/dbraw/zinc/33/49/41/296334941.db2.gz LRWOZHABEDEBOU-GDLCADMTSA-N 1 3 302.340 2.547 20 0 DFADHO COc1ccc2cc(CN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])ccc2c1 ZINC000422797762 296334983 /nfs/dbraw/zinc/33/49/83/296334983.db2.gz OJQAQAMLLWMSMM-ZNZDAUKMSA-N 1 3 314.429 2.690 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422800030 296335227 /nfs/dbraw/zinc/33/52/27/296335227.db2.gz ZDZREKCNCJTOCU-CVEARBPZSA-N 1 3 316.445 2.739 20 0 DFADHO CC[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422801465 296335672 /nfs/dbraw/zinc/33/56/72/296335672.db2.gz BZKJSABIYSSHRS-AYOQOUSVSA-N 1 3 301.478 2.553 20 0 DFADHO c1ccc2c(c1)CCN(CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422802912 296335925 /nfs/dbraw/zinc/33/59/25/296335925.db2.gz HWWYUDYHIITIGX-VAMGGRTRSA-N 1 3 313.489 2.555 20 0 DFADHO c1ccc([C@H]2C[C@H]([NH2+]CCN3CCCCCC3)CCN2)cc1 ZINC000422805530 296336097 /nfs/dbraw/zinc/33/60/97/296336097.db2.gz JHWXBTQOQUXGDD-RTBURBONSA-N 1 3 301.478 2.945 20 0 DFADHO CC[C@H](NCCCN1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422804611 296336114 /nfs/dbraw/zinc/33/61/14/296336114.db2.gz HTHJFFILEWENJB-OALUTQOASA-N 1 3 301.478 2.555 20 0 DFADHO CN(C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422811094 296337158 /nfs/dbraw/zinc/33/71/58/296337158.db2.gz TZLNCYDFXTYYJU-GBESFXJTSA-N 1 3 301.478 2.759 20 0 DFADHO CCN(CC)C(=O)c1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422807270 296336625 /nfs/dbraw/zinc/33/66/25/296336625.db2.gz JPPFGFSDERBZOM-QZTJIDSGSA-N 1 3 317.477 2.776 20 0 DFADHO CO[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000422807233 296336752 /nfs/dbraw/zinc/33/67/52/296336752.db2.gz JLJIHXIXEYSQJQ-SZVBFZGTSA-N 1 3 318.461 2.893 20 0 DFADHO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cnccc1N ZINC000422810650 296337366 /nfs/dbraw/zinc/33/73/66/296337366.db2.gz SAYQVCUFYGEHPL-OAHLLOKOSA-N 1 3 310.445 2.941 20 0 DFADHO CC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000422812229 296337612 /nfs/dbraw/zinc/33/76/12/296337612.db2.gz VWYKOTLKZNRWRK-XNMUZJSGSA-N 1 3 313.489 2.696 20 0 DFADHO CN(C)[C@]1(C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)CCSC1 ZINC000422817832 296338805 /nfs/dbraw/zinc/33/88/05/296338805.db2.gz DXDIPCFKYYKWSU-KSZLIROESA-N 1 3 319.518 2.507 20 0 DFADHO C[NH+](C)CCOCCN[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000623967539 399507478 /nfs/dbraw/zinc/50/74/78/399507478.db2.gz AOTAGAIVUZGGAN-OAHLLOKOSA-N 1 3 300.805 2.634 20 0 DFADHO CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC000631846262 399507731 /nfs/dbraw/zinc/50/77/31/399507731.db2.gz XDALDECUCXIOJU-HZPDHXFCSA-N 1 3 319.840 2.788 20 0 DFADHO CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC000631846262 399507736 /nfs/dbraw/zinc/50/77/36/399507736.db2.gz XDALDECUCXIOJU-HZPDHXFCSA-N 1 3 319.840 2.788 20 0 DFADHO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422826002 296339944 /nfs/dbraw/zinc/33/99/44/296339944.db2.gz QLOCWLDVSUBHBG-CRAIPNDOSA-N 1 3 313.445 2.757 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000422830978 296340959 /nfs/dbraw/zinc/34/09/59/296340959.db2.gz RUXCUCLJTHGZJJ-MOPGFXCFSA-N 1 3 301.478 2.864 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000422830474 296340988 /nfs/dbraw/zinc/34/09/88/296340988.db2.gz IGHJSQKYEALYDC-QRQLOZEOSA-N 1 3 301.478 2.629 20 0 DFADHO c1c(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc2n1CCCC2 ZINC000422830089 296341224 /nfs/dbraw/zinc/34/12/24/296341224.db2.gz HYVOJRSGMIEDDD-RCCFBDPRSA-N 1 3 316.493 2.662 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000422828279 296340293 /nfs/dbraw/zinc/34/02/93/296340293.db2.gz FUHNBMQRNSDHFE-CEXWTWQISA-N 1 3 303.494 2.657 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)Cc1ccccc1 ZINC000422829493 296340614 /nfs/dbraw/zinc/34/06/14/296340614.db2.gz HPBRERQHLPYHJT-WDSOQIARSA-N 1 3 303.494 2.527 20 0 DFADHO CCN(CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000422831909 296341447 /nfs/dbraw/zinc/34/14/47/296341447.db2.gz KDAVSUHUGMNDLI-XNMUZJSGSA-N 1 3 315.505 2.812 20 0 DFADHO CCO[C@H](CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000422833487 296341536 /nfs/dbraw/zinc/34/15/36/296341536.db2.gz YUGCBFAMNOVVHZ-INDMIFKZSA-N 1 3 324.509 2.719 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422836180 296342108 /nfs/dbraw/zinc/34/21/08/296342108.db2.gz JKXVQIVCBTXOCT-VYDXJSESSA-N 1 3 307.507 2.677 20 0 DFADHO Clc1cccc([C@H](CNC2CC[NH2+]CC2)N2CCCC2)c1 ZINC000422848486 296344278 /nfs/dbraw/zinc/34/42/78/296344278.db2.gz UBESAROQGBRATC-KRWDZBQOSA-N 1 3 307.869 2.819 20 0 DFADHO Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)C[C@@H](C)N)cc2)n1 ZINC000422861647 296346326 /nfs/dbraw/zinc/34/63/26/296346326.db2.gz MUIIMJUJUJDGSB-KGLIPLIRSA-N 1 3 300.450 2.747 20 0 DFADHO Cc1cc(C)n(-c2ccc(CCN[C@@H](C)C[C@@H](C)[NH3+])cc2)n1 ZINC000422861647 296346327 /nfs/dbraw/zinc/34/63/27/296346327.db2.gz MUIIMJUJUJDGSB-KGLIPLIRSA-N 1 3 300.450 2.747 20 0 DFADHO Clc1ccccc1CN1CCC(C[NH2+]C2CCNCC2)CC1 ZINC000422874562 296348245 /nfs/dbraw/zinc/34/82/45/296348245.db2.gz AKIWRTLGWDVQCR-UHFFFAOYSA-N 1 3 321.896 2.894 20 0 DFADHO COc1cc2[nH]c(CCC[NH2+][C@H](C)C[C@H](C)N)cc2c(OC)c1 ZINC000422866777 296347146 /nfs/dbraw/zinc/34/71/46/296347146.db2.gz RBNYMFHVSQXQHE-QWHCGFSZSA-N 1 3 319.449 2.833 20 0 DFADHO Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)c(N2CCOCC2)c1 ZINC000422867736 296347306 /nfs/dbraw/zinc/34/73/06/296347306.db2.gz SSEHSYCCFSRASU-ZWKOTPCHSA-N 1 3 317.477 2.581 20 0 DFADHO CC1CCN(CC[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000422868963 296347394 /nfs/dbraw/zinc/34/73/94/296347394.db2.gz WJTGOGLVVZDRMO-RBUKOAKNSA-N 1 3 301.478 2.801 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])N2CCCC2)o1 ZINC000422876986 296349175 /nfs/dbraw/zinc/34/91/75/296349175.db2.gz HCUIVISAZFEWIJ-IKGGRYGDSA-N 1 3 305.466 2.832 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000422874537 296348406 /nfs/dbraw/zinc/34/84/06/296348406.db2.gz AIBAONOFTUJNFB-JONQDZQNSA-N 1 3 318.509 2.866 20 0 DFADHO CCN(CCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)C1CC1 ZINC000422874768 296348674 /nfs/dbraw/zinc/34/86/74/296348674.db2.gz BBGCMODYNUBBAU-MOPGFXCFSA-N 1 3 317.477 2.562 20 0 DFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC[C@H]1CCCS1 ZINC000422881798 296349648 /nfs/dbraw/zinc/34/96/48/296349648.db2.gz ZBRFKPZPECTCML-FRFSOERESA-N 1 3 304.459 2.728 20 0 DFADHO Cc1nc(C)c(CC[NH2+][C@H](C)c2ccc(CN)nc2C)s1 ZINC000422889433 296351224 /nfs/dbraw/zinc/35/12/24/296351224.db2.gz PNHPCECHSOEJRE-SNVBAGLBSA-N 1 3 304.463 2.815 20 0 DFADHO CCOc1ccc(C2(CN[C@@H]3CCC[C@H]3[NH3+])CCOCC2)cc1 ZINC000422885963 296350637 /nfs/dbraw/zinc/35/06/37/296350637.db2.gz ZTHOIDQMHBJWJP-QZTJIDSGSA-N 1 3 318.461 2.603 20 0 DFADHO COc1ccc(C)cc1C1(CN[C@@H](C)C[C@H](C)[NH3+])CCOCC1 ZINC000422901882 296353136 /nfs/dbraw/zinc/35/31/36/296353136.db2.gz SQYJXTVOPKCNEP-HOTGVXAUSA-N 1 3 320.477 2.767 20 0 DFADHO COc1ccc(C)cc1C1(C[NH2+][C@@H](C)C[C@H](C)N)CCOCC1 ZINC000422901882 296353137 /nfs/dbraw/zinc/35/31/37/296353137.db2.gz SQYJXTVOPKCNEP-HOTGVXAUSA-N 1 3 320.477 2.767 20 0 DFADHO COc1ccc(COCCC[NH2+][C@H]2CCNCC[C@@H]2C)cc1 ZINC000422902140 296353438 /nfs/dbraw/zinc/35/34/38/296353438.db2.gz DCTHUFCLYCUIRY-YJBOKZPZSA-N 1 3 306.450 2.580 20 0 DFADHO COc1ccc(OCCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422894745 296351907 /nfs/dbraw/zinc/35/19/07/296351907.db2.gz DCWJBMGMLUENIB-IPMKNSEASA-N 1 3 318.461 2.974 20 0 DFADHO CC[C@@H](NCc1cccc(OCCN(C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422905814 296354215 /nfs/dbraw/zinc/35/42/15/296354215.db2.gz ZLRAXDMVISKDNG-RTBURBONSA-N 1 3 319.493 2.637 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000422906546 296354353 /nfs/dbraw/zinc/35/43/53/296354353.db2.gz KFEIXVUJDROQTH-DYEKYZERSA-N 1 3 311.857 2.643 20 0 DFADHO FC(F)n1c(CCN[C@H]2CCC[NH2+]CC2)nc2ccccc21 ZINC000422906731 296354455 /nfs/dbraw/zinc/35/44/55/296354455.db2.gz AJYHKCMLKRMGPS-LBPRGKRZSA-N 1 3 308.376 2.706 20 0 DFADHO CSC1(CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)CCOCC1 ZINC000422917263 296355482 /nfs/dbraw/zinc/35/54/82/296355482.db2.gz FSXJRUGSYOBPLF-LSDHHAIUSA-N 1 3 300.512 2.799 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCCO[C@H]1C(C)C ZINC000422921606 296355555 /nfs/dbraw/zinc/35/55/55/296355555.db2.gz QQAVYJDDSZPWBT-JOQOYGCGSA-N 1 3 305.466 2.951 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1nc2ccccc2n1C(F)F ZINC000422911205 296354815 /nfs/dbraw/zinc/35/48/15/296354815.db2.gz KHEVIUUXWWSHOP-RYUDHWBXSA-N 1 3 308.376 2.691 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422911205 296354816 /nfs/dbraw/zinc/35/48/16/296354816.db2.gz KHEVIUUXWWSHOP-RYUDHWBXSA-N 1 3 308.376 2.691 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1nc2ccccc2n1C(F)F ZINC000422912604 296354962 /nfs/dbraw/zinc/35/49/62/296354962.db2.gz NNSXQYHMOQYGKV-OLZOCXBDSA-N 1 3 322.403 2.952 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccc(F)c(Br)c1 ZINC000422931136 296356777 /nfs/dbraw/zinc/35/67/77/296356777.db2.gz AQWIWNGXCQMXRQ-VHSXEESVSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931136 296356778 /nfs/dbraw/zinc/35/67/78/296356778.db2.gz AQWIWNGXCQMXRQ-VHSXEESVSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930516 296356875 /nfs/dbraw/zinc/35/68/75/296356875.db2.gz USTHSOMEOXYUJH-IUODEOHRSA-N 1 3 324.852 2.631 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930516 296356876 /nfs/dbraw/zinc/35/68/76/296356876.db2.gz USTHSOMEOXYUJH-IUODEOHRSA-N 1 3 324.852 2.631 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1csc2ccccc12 ZINC000422943329 296358746 /nfs/dbraw/zinc/35/87/46/296358746.db2.gz YBTHRMAKCYSAQB-APHBMKBZSA-N 1 3 304.459 2.786 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000422943329 296358747 /nfs/dbraw/zinc/35/87/47/296358747.db2.gz YBTHRMAKCYSAQB-APHBMKBZSA-N 1 3 304.459 2.786 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422935057 296357550 /nfs/dbraw/zinc/35/75/50/296357550.db2.gz KJMXQVZWJUXIHO-SMDDNHRTSA-N 1 3 315.230 2.848 20 0 DFADHO CC(C)c1noc(CCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422938089 296357799 /nfs/dbraw/zinc/35/77/99/296357799.db2.gz PHSDJCODTIENNO-RBSFLKMASA-N 1 3 306.454 2.636 20 0 DFADHO C[C@@H](NCCCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000422951298 296359993 /nfs/dbraw/zinc/35/99/93/296359993.db2.gz XXUUGFBYQFXFQX-CHWSQXEVSA-N 1 3 309.841 2.646 20 0 DFADHO CC(C)c1ccccc1OCCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422955562 296360730 /nfs/dbraw/zinc/36/07/30/296360730.db2.gz JNYLCQBKVLDQOO-BHYGNILZSA-N 1 3 306.450 2.531 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000422951489 296359999 /nfs/dbraw/zinc/35/99/99/296359999.db2.gz YTEYEXMBOCHSFN-CZUORRHYSA-N 1 3 303.381 2.740 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422951489 296360000 /nfs/dbraw/zinc/36/00/00/296360000.db2.gz YTEYEXMBOCHSFN-CZUORRHYSA-N 1 3 303.381 2.740 20 0 DFADHO CC(C)c1ccc(OCCN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422950687 296360027 /nfs/dbraw/zinc/36/00/27/296360027.db2.gz WNBYDWFUQBQEHU-JCGIZDLHSA-N 1 3 306.450 2.531 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000422953810 296360471 /nfs/dbraw/zinc/36/04/71/296360471.db2.gz GNEZFOLPXPYBLM-RHSMWYFYSA-N 1 3 305.491 2.645 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccccc1-n1ccnc1 ZINC000422965371 296362002 /nfs/dbraw/zinc/36/20/02/296362002.db2.gz KXEXSGHXMQVEFR-QFBILLFUSA-N 1 3 320.440 2.920 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000422965371 296362004 /nfs/dbraw/zinc/36/20/04/296362004.db2.gz KXEXSGHXMQVEFR-QFBILLFUSA-N 1 3 320.440 2.920 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422966372 296362052 /nfs/dbraw/zinc/36/20/52/296362052.db2.gz RETBRRYXPKTELM-VQIMIIECSA-N 1 3 312.461 2.830 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000422957535 296361165 /nfs/dbraw/zinc/36/11/65/296361165.db2.gz UQULEBHRBYICJS-DOTOQJQBSA-N 1 3 305.491 2.775 20 0 DFADHO COCCNc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422968872 296362684 /nfs/dbraw/zinc/36/26/84/296362684.db2.gz SJTFKWJWFFGYRQ-GBESFXJTSA-N 1 3 317.477 2.755 20 0 DFADHO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)[C@H]1CCCCN1 ZINC000422970731 296363031 /nfs/dbraw/zinc/36/30/31/296363031.db2.gz WTTRWQPFFIZOHE-TXPKVOOTSA-N 1 3 316.493 2.727 20 0 DFADHO C[C@H](NC1CCN([C@@H](C)c2ccncc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422970731 296363032 /nfs/dbraw/zinc/36/30/32/296363032.db2.gz WTTRWQPFFIZOHE-TXPKVOOTSA-N 1 3 316.493 2.727 20 0 DFADHO c1ccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)nc1 ZINC000422968859 296362567 /nfs/dbraw/zinc/36/25/67/296362567.db2.gz SHBWPQRHYUGLEM-WNRNVDISSA-N 1 3 314.477 2.561 20 0 DFADHO CCOC(=O)C1([C@H](C)N[C@H]2CCCc3occc32)CC[NH2+]CC1 ZINC000422969071 296362570 /nfs/dbraw/zinc/36/25/70/296362570.db2.gz YOGSYLSQOJKSLQ-ZFWWWQNUSA-N 1 3 320.433 2.568 20 0 DFADHO Brc1cccc(NCCN[C@@H]2CCC[NH2+]CC2)c1 ZINC000422967372 296362609 /nfs/dbraw/zinc/36/26/09/296362609.db2.gz SVPNNYSIZSINLK-CYBMUJFWSA-N 1 3 312.255 2.593 20 0 DFADHO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)C1 ZINC000422987761 296364349 /nfs/dbraw/zinc/36/43/49/296364349.db2.gz HJSDTIHRQFLRLN-OWYHZJEWSA-N 1 3 301.478 2.798 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000422976441 296363413 /nfs/dbraw/zinc/36/34/13/296363413.db2.gz DEZFZBLVNUNEOB-MNOVXSKESA-N 1 3 308.813 2.648 20 0 DFADHO N[C@@H]1C[C@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c2ccccc21 ZINC000422978753 296363699 /nfs/dbraw/zinc/36/36/99/296363699.db2.gz KMFDPSOWBKLBCE-QMIHWGKISA-N 1 3 321.424 2.806 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422992920 296364969 /nfs/dbraw/zinc/36/49/69/296364969.db2.gz SBUKHIDXVAEYCQ-OLZOCXBDSA-N 1 3 317.355 2.729 20 0 DFADHO CCC(CC)[C@H](CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)OC ZINC000423001097 296365806 /nfs/dbraw/zinc/36/58/06/296365806.db2.gz WMSHUIMKLQAWPA-MLHJIOFPSA-N 1 3 312.498 2.574 20 0 DFADHO Cc1nn(C)c(C)c1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423015185 296367826 /nfs/dbraw/zinc/36/78/26/296367826.db2.gz KEQNMYYOUILKHT-GBESFXJTSA-N 1 3 318.509 2.870 20 0 DFADHO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000423015185 296367827 /nfs/dbraw/zinc/36/78/27/296367827.db2.gz KEQNMYYOUILKHT-GBESFXJTSA-N 1 3 318.509 2.870 20 0 DFADHO COC(=O)c1csc(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000602718418 399537427 /nfs/dbraw/zinc/53/74/27/399537427.db2.gz YDFQYDQUJAFEHE-UHFFFAOYSA-N 1 3 322.474 2.746 20 0 DFADHO Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000423021997 296369027 /nfs/dbraw/zinc/36/90/27/296369027.db2.gz DINVRLWNXWIQIC-GUDVDZBRSA-N 1 3 317.477 2.626 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCCNCC2)cc1OC ZINC000423026945 296369216 /nfs/dbraw/zinc/36/92/16/296369216.db2.gz QNVACOQEKWZENZ-GOEBONIOSA-N 1 3 306.450 2.614 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCNCC[C@H]2C)cc1OC ZINC000423026634 296369321 /nfs/dbraw/zinc/36/93/21/296369321.db2.gz QKGFMHJBBBSMBT-ZMSDIMECSA-N 1 3 320.477 2.860 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000423018088 296368488 /nfs/dbraw/zinc/36/84/88/296368488.db2.gz QFBDCEWAAFDDIU-ZIAGYGMSSA-N 1 3 305.466 2.688 20 0 DFADHO C[C@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000423020669 296368573 /nfs/dbraw/zinc/36/85/73/296368573.db2.gz CNKPYQRBVZAKLQ-XQQFMLRXSA-N 1 3 311.832 2.645 20 0 DFADHO COc1cccc(C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000423018205 296368630 /nfs/dbraw/zinc/36/86/30/296368630.db2.gz YJVWLBSOLWRHPF-SUTQANCOSA-N 1 3 300.446 2.889 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H](C)[C@H]3CC[NH2+]C3)c2)CC1 ZINC000423033512 296370199 /nfs/dbraw/zinc/37/01/99/296370199.db2.gz WZBYTXNAZQUTLR-IRXDYDNUSA-N 1 3 316.493 2.627 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423038056 296370727 /nfs/dbraw/zinc/37/07/27/296370727.db2.gz CGZYTVYXMMZNRG-MKBNYLNASA-N 1 3 311.832 2.775 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423038056 296370728 /nfs/dbraw/zinc/37/07/28/296370728.db2.gz CGZYTVYXMMZNRG-MKBNYLNASA-N 1 3 311.832 2.775 20 0 DFADHO COc1cccc([C@@H]2[C@H](N[C@H](C)C[C@@H](C)[NH3+])CCN2C2CC2)c1 ZINC000423041746 296371060 /nfs/dbraw/zinc/37/10/60/296371060.db2.gz JQCLQIJPMMINDS-TWKYDXJASA-N 1 3 317.477 2.688 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000423043967 296371212 /nfs/dbraw/zinc/37/12/12/296371212.db2.gz QGLYXVAQBJTVLV-IEBWSBKVSA-N 1 3 320.477 2.588 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423047837 296371526 /nfs/dbraw/zinc/37/15/26/296371526.db2.gz HGJWQSDRVYSADN-JDFRZJQESA-N 1 3 312.404 2.629 20 0 DFADHO Cn1cc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccc(F)cc21 ZINC000423046130 296371687 /nfs/dbraw/zinc/37/16/87/296371687.db2.gz DGTIINLMSFWYIW-XYPWUTKMSA-N 1 3 301.409 2.733 20 0 DFADHO Cn1nc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423050625 296371932 /nfs/dbraw/zinc/37/19/32/296371932.db2.gz LORDGWZJBWWEAD-UAGQMJEPSA-N 1 3 312.461 2.626 20 0 DFADHO COc1ccccc1[C@H](CN[C@H]1CCC[C@H]1C[NH3+])OC(C)C ZINC000423053416 296372539 /nfs/dbraw/zinc/37/25/39/296372539.db2.gz RZPXXQSBPWJHIF-ZVZYQTTQSA-N 1 3 306.450 2.878 20 0 DFADHO C[C@@H](NCCc1cn(C)c2cc(Cl)ccc12)[C@@H]1CC[NH2+]C1 ZINC000423063259 296373679 /nfs/dbraw/zinc/37/36/79/296373679.db2.gz OKRMHNNIGIFCIS-CHWSQXEVSA-N 1 3 305.853 2.962 20 0 DFADHO COC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159090437 197326593 /nfs/dbraw/zinc/32/65/93/197326593.db2.gz XWUKTVQMEXXRHM-MSOLQXFVSA-N 1 3 316.445 2.536 20 0 DFADHO COC(=O)CC[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159090437 197326595 /nfs/dbraw/zinc/32/65/95/197326595.db2.gz XWUKTVQMEXXRHM-MSOLQXFVSA-N 1 3 316.445 2.536 20 0 DFADHO C[C@H](O)[C@](C)(CN[C@@H]1CCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000423070158 296374641 /nfs/dbraw/zinc/37/46/41/296374641.db2.gz FQGSJQZOUMBNGU-KANFNMMFSA-N 1 3 304.478 2.866 20 0 DFADHO C[C@H](O)[C@](C)(C[NH2+][C@@H]1CCCC[C@@H]1CN)Cc1ccccc1 ZINC000423078499 296375560 /nfs/dbraw/zinc/37/55/60/296375560.db2.gz OQTOTMFXLZTEHP-AITUJVMLSA-N 1 3 304.478 2.723 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1cccc(C)c1Br ZINC000423075679 296375578 /nfs/dbraw/zinc/37/55/78/296375578.db2.gz XNXAJAHSPRZXMB-ZDUSSCGKSA-N 1 3 315.255 2.601 20 0 DFADHO C[C@@H](O)[C@@](C)(CN[C@H]1CC[NH2+]CC[C@H]1C)Cc1ccccc1 ZINC000423080468 296375822 /nfs/dbraw/zinc/37/58/22/296375822.db2.gz SOXDXFKZRPQZGX-ZAWLATJESA-N 1 3 304.478 2.594 20 0 DFADHO C[C@@H](O)[C@@](C)(C[NH2+][C@H]1CCNCC[C@H]1C)Cc1ccccc1 ZINC000423080468 296375823 /nfs/dbraw/zinc/37/58/23/296375823.db2.gz SOXDXFKZRPQZGX-ZAWLATJESA-N 1 3 304.478 2.594 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423088743 296377249 /nfs/dbraw/zinc/37/72/49/296377249.db2.gz SOLVLXHHACFRNJ-LLGZUXRYSA-N 1 3 319.415 2.509 20 0 DFADHO FC(F)(F)c1ccc(OCCCN[C@H]2CCC[NH2+]CC2)nc1 ZINC000423083341 296376491 /nfs/dbraw/zinc/37/64/91/296376491.db2.gz YPRBWUFWGQQGMG-ZDUSSCGKSA-N 1 3 317.355 2.601 20 0 DFADHO FC(F)(F)c1ccc(OCCC[NH2+][C@H]2CCCNCC2)nc1 ZINC000423083341 296376492 /nfs/dbraw/zinc/37/64/92/296376492.db2.gz YPRBWUFWGQQGMG-ZDUSSCGKSA-N 1 3 317.355 2.601 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423095651 296377993 /nfs/dbraw/zinc/37/79/93/296377993.db2.gz MUVAVHKRGFQHIY-UUAYOZFRSA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423095651 296377994 /nfs/dbraw/zinc/37/79/94/296377994.db2.gz MUVAVHKRGFQHIY-UUAYOZFRSA-N 1 3 308.853 2.928 20 0 DFADHO Fc1ccccc1CCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423097347 296378009 /nfs/dbraw/zinc/37/80/09/296378009.db2.gz QTIQLSIUTCEIHF-KBAYOESNSA-N 1 3 306.425 2.505 20 0 DFADHO FC(F)(F)COc1cccc(CCN[C@H]2CCC[NH2+]CC2)c1 ZINC000423101957 296378577 /nfs/dbraw/zinc/37/85/77/296378577.db2.gz WRJZQNITYFGVQF-AWEZNQCLSA-N 1 3 316.367 2.902 20 0 DFADHO FC(F)(F)COc1cccc(CC[NH2+][C@H]2CCCNCC2)c1 ZINC000423101957 296378578 /nfs/dbraw/zinc/37/85/78/296378578.db2.gz WRJZQNITYFGVQF-AWEZNQCLSA-N 1 3 316.367 2.902 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@](C)(CO)c1ccccc1 ZINC000423108717 296379264 /nfs/dbraw/zinc/37/92/64/296379264.db2.gz MNUVKIIQNVRYBY-QRQLOZEOSA-N 1 3 304.478 2.837 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@](C)(CO)c1ccccc1 ZINC000423108694 296379324 /nfs/dbraw/zinc/37/93/24/296379324.db2.gz MNUVKIIQNVRYBY-BHIYHBOVSA-N 1 3 304.478 2.837 20 0 DFADHO Cc1ccccc1[C@H]1C[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423106343 296378972 /nfs/dbraw/zinc/37/89/72/296378972.db2.gz RKCMMFDBWDNLKX-CVYSASLGSA-N 1 3 314.473 2.988 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423111356 296379674 /nfs/dbraw/zinc/37/96/74/296379674.db2.gz IXHZHEFQMJAKLG-BJOOFOGMSA-N 1 3 319.424 2.582 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCCc1c[nH]c2ccc(F)cc12 ZINC000423111356 296379675 /nfs/dbraw/zinc/37/96/75/296379675.db2.gz IXHZHEFQMJAKLG-BJOOFOGMSA-N 1 3 319.424 2.582 20 0 DFADHO CO[C@H]1CCCC[C@@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423117451 296380336 /nfs/dbraw/zinc/38/03/36/296380336.db2.gz VOILQYITEMMRJQ-PBWTXFEYSA-N 1 3 316.445 2.790 20 0 DFADHO Cc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc(N2CCCC2)n1 ZINC000423122426 296381058 /nfs/dbraw/zinc/38/10/58/296381058.db2.gz KRZDCBZFBFFJMG-IAGOWNOFSA-N 1 3 302.466 2.597 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000423122539 296381202 /nfs/dbraw/zinc/38/12/02/296381202.db2.gz JUFGUJYIRLHEBJ-DAYGRLMNSA-N 1 3 307.482 2.792 20 0 DFADHO C[C@@H](NCCc1cnc(SC2CCCC2)nc1)[C@H]1CC[NH2+]C1 ZINC000423134529 296382652 /nfs/dbraw/zinc/38/26/52/296382652.db2.gz MKMHCVRSCKXCGY-HIFRSBDPSA-N 1 3 320.506 2.641 20 0 DFADHO C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCCCN1 ZINC000423136328 296383222 /nfs/dbraw/zinc/38/32/22/296383222.db2.gz PBUCJVNGORUWHX-RISCZKNCSA-N 1 3 301.356 2.763 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1cccc(C(F)(F)F)n1 ZINC000423134393 296382503 /nfs/dbraw/zinc/38/25/03/296382503.db2.gz RSKOHLQJNIFSPQ-YPMHNXCESA-N 1 3 301.356 2.621 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423140984 296383778 /nfs/dbraw/zinc/38/37/78/296383778.db2.gz NLBSPXATIPQEDZ-VYDXJSESSA-N 1 3 305.441 2.759 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423142114 296383991 /nfs/dbraw/zinc/38/39/91/296383991.db2.gz UASNZPOQWPLOPB-INMHGKMJSA-N 1 3 305.441 2.630 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423140692 296383728 /nfs/dbraw/zinc/38/37/28/296383728.db2.gz ZEIDKPJUFABWMX-BXUZGUMPSA-N 1 3 301.356 2.750 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCc1cc(C(F)(F)F)ccn1 ZINC000423140692 296383729 /nfs/dbraw/zinc/38/37/29/296383729.db2.gz ZEIDKPJUFABWMX-BXUZGUMPSA-N 1 3 301.356 2.750 20 0 DFADHO Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)CC2)c(C)c1 ZINC000423147659 296385051 /nfs/dbraw/zinc/38/50/51/296385051.db2.gz SNYLSGYUPDVWRF-JFIYKMOQSA-N 1 3 302.462 2.677 20 0 DFADHO Cc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])CC2)c(C)c1 ZINC000423147659 296385052 /nfs/dbraw/zinc/38/50/52/296385052.db2.gz SNYLSGYUPDVWRF-JFIYKMOQSA-N 1 3 302.462 2.677 20 0 DFADHO FC1(F)CCCC[C@@H]1CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423147831 296385208 /nfs/dbraw/zinc/38/52/08/296385208.db2.gz SWACNIJVSGHFQN-LXTVHRRPSA-N 1 3 302.409 2.559 20 0 DFADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1cccc(F)c1 ZINC000423149101 296385332 /nfs/dbraw/zinc/38/53/32/296385332.db2.gz WZMXXDFMVGMENS-WJFTUGDTSA-N 1 3 320.452 2.630 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000423154369 296385857 /nfs/dbraw/zinc/38/58/57/296385857.db2.gz OVMDVXIETDSMLC-NHYWBVRUSA-N 1 3 300.805 2.836 20 0 DFADHO COc1cccc2c1C[C@H](N[C@@H](Cc1ccccc1)[C@H](C)[NH3+])C2 ZINC000423173621 296388143 /nfs/dbraw/zinc/38/81/43/296388143.db2.gz ZLEMFVSTFRWYIW-YJLNNSPDSA-N 1 3 310.441 2.711 20 0 DFADHO COc1cccc2c1C[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423173662 296388280 /nfs/dbraw/zinc/38/82/80/296388280.db2.gz ZPHBRWMIPAHEOY-JOCBIADPSA-N 1 3 300.446 2.673 20 0 DFADHO C[C@@H](NCC1([NH3+])CCCCC1)c1ccc(OCCN(C)C)cc1 ZINC000423187578 296390036 /nfs/dbraw/zinc/39/00/36/296390036.db2.gz YGAZJNHPVUJOPH-MRXNPFEDSA-N 1 3 319.493 2.939 20 0 DFADHO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1CCCNCC1 ZINC000423191395 296390368 /nfs/dbraw/zinc/39/03/68/296390368.db2.gz STJFERNWGPXSFF-CJNGLKHVSA-N 1 3 303.425 2.980 20 0 DFADHO CO[C@@H](c1ccccc1)[C@@H](C)NCCC[NH2+]Cc1cccnc1 ZINC000423194475 296390935 /nfs/dbraw/zinc/39/09/35/296390935.db2.gz YTQBWABBFNWJSJ-VQIMIIECSA-N 1 3 313.445 2.927 20 0 DFADHO Cn1cc([C@@H](NC2CCC([NH3+])CC2)c2cccc(F)c2)cn1 ZINC000423205770 296392302 /nfs/dbraw/zinc/39/23/02/296392302.db2.gz BKGXUYIBFAMCAL-JCYILVPMSA-N 1 3 302.397 2.508 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccsc1 ZINC000157404670 197185093 /nfs/dbraw/zinc/18/50/93/197185093.db2.gz MJHSWQPRJYDZAF-HNNXBMFYSA-N 1 3 324.494 2.628 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccsc1 ZINC000157404670 197185094 /nfs/dbraw/zinc/18/50/94/197185094.db2.gz MJHSWQPRJYDZAF-HNNXBMFYSA-N 1 3 324.494 2.628 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCNC2)C1 ZINC000423221929 296394023 /nfs/dbraw/zinc/39/40/23/296394023.db2.gz YSMGAVQBFZHXDG-NXOAAHMSSA-N 1 3 310.482 2.866 20 0 DFADHO C[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ncc(Br)cc1F ZINC000423245004 296396665 /nfs/dbraw/zinc/39/66/65/296396665.db2.gz IIQREGVBDLKOQM-ZJUUUORDSA-N 1 3 316.218 2.633 20 0 DFADHO C[C@@H](NCC[C@@H]1CC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423247711 296396815 /nfs/dbraw/zinc/39/68/15/296396815.db2.gz LPMCHYAOCQWGMT-NEPJUHHUSA-N 1 3 306.841 2.877 20 0 DFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000156942792 197152061 /nfs/dbraw/zinc/15/20/61/197152061.db2.gz HDVCFTCWGBJLKN-IJEWVQPXSA-N 1 3 317.433 2.777 20 0 DFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000156942792 197152063 /nfs/dbraw/zinc/15/20/63/197152063.db2.gz HDVCFTCWGBJLKN-IJEWVQPXSA-N 1 3 317.433 2.777 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)N[C@H](C[NH3+])C1CCCCC1 ZINC000423272104 296399086 /nfs/dbraw/zinc/39/90/86/296399086.db2.gz YKMCRGUWXCNGHJ-WMLDXEAASA-N 1 3 303.450 2.901 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000423271483 296399275 /nfs/dbraw/zinc/39/92/75/296399275.db2.gz HPGGZLIYVFCPHN-YVSFHVDLSA-N 1 3 310.482 2.996 20 0 DFADHO Cc1cc(CNCCOCCC[NH3+])ccc1Oc1cccnc1 ZINC000629399603 399594120 /nfs/dbraw/zinc/59/41/20/399594120.db2.gz IIGKOAOICUTLIR-UHFFFAOYSA-N 1 3 315.417 2.637 20 0 DFADHO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423284751 296401008 /nfs/dbraw/zinc/40/10/08/296401008.db2.gz YHNZGBVVRDQLDU-QRTARXTBSA-N 1 3 301.434 2.591 20 0 DFADHO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000624221890 399602188 /nfs/dbraw/zinc/60/21/88/399602188.db2.gz KLFVKCVWCWNNOA-FNHZYXHNSA-N 1 3 318.461 2.845 20 0 DFADHO Fc1cc(CNCC2CCN(c3cc[nH+]cc3)CC2)c(F)cn1 ZINC000294673909 224159753 /nfs/dbraw/zinc/15/97/53/224159753.db2.gz ARKZCETYPAGAMN-UHFFFAOYSA-N 1 3 318.371 2.761 20 0 DFADHO Brc1ccccc1C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000423441315 296417098 /nfs/dbraw/zinc/41/70/98/296417098.db2.gz YDWOKFUHZWBUST-CLWVCHIJSA-N 1 3 321.262 2.578 20 0 DFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cccc(CN2CCCC2)c1 ZINC000294822044 224245331 /nfs/dbraw/zinc/24/53/31/224245331.db2.gz KRWGQJGBVVDAQR-SFHVURJKSA-N 1 3 315.461 2.544 20 0 DFADHO C[C@@H](NC[C@H]1CC[C@H](C[NH3+])CC1)c1nc2ccccc2n1C ZINC000423431428 296416164 /nfs/dbraw/zinc/41/61/64/296416164.db2.gz VHKOFJKUTWXKMG-RBSFLKMASA-N 1 3 300.450 2.989 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000356445174 285248349 /nfs/dbraw/zinc/24/83/49/285248349.db2.gz JBTQLKSZJNQHFW-LMMKCTJWSA-N 1 3 323.525 2.543 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000356445174 285248350 /nfs/dbraw/zinc/24/83/50/285248350.db2.gz JBTQLKSZJNQHFW-LMMKCTJWSA-N 1 3 323.525 2.543 20 0 DFADHO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000073434123 542464503 /nfs/dbraw/zinc/46/45/03/542464503.db2.gz RPVLMJPOANSEMC-QGZVFWFLSA-N 1 3 310.401 2.649 20 0 DFADHO C[N@H+]1CCC[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000073434123 542464507 /nfs/dbraw/zinc/46/45/07/542464507.db2.gz RPVLMJPOANSEMC-QGZVFWFLSA-N 1 3 310.401 2.649 20 0 DFADHO C[C@H](NCCC(=O)N1CCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934556 285255238 /nfs/dbraw/zinc/25/52/38/285255238.db2.gz OYBWJHCPOCUKIY-IKGGRYGDSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](NCCC(=O)N1CCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934556 285255241 /nfs/dbraw/zinc/25/52/41/285255241.db2.gz OYBWJHCPOCUKIY-IKGGRYGDSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H]([NH2+]CCC(=O)N1CCC[C@H]1C)[C@H]1CCCN(C2CCC2)C1 ZINC000347934556 285255244 /nfs/dbraw/zinc/25/52/44/285255244.db2.gz OYBWJHCPOCUKIY-IKGGRYGDSA-N 1 3 321.509 2.630 20 0 DFADHO COc1cc(NC(C)=O)ccc1[C@H](C)NCCC1=CC[NH2+]CC1 ZINC000423534773 296427615 /nfs/dbraw/zinc/42/76/15/296427615.db2.gz AWHXWKFJNXGPTH-ZDUSSCGKSA-N 1 3 317.433 2.614 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000271603256 209051633 /nfs/dbraw/zinc/05/16/33/209051633.db2.gz ZUWBXNKARRQMAU-BFYDXBDKSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000271603272 209052084 /nfs/dbraw/zinc/05/20/84/209052084.db2.gz ZUWBXNKARRQMAU-VYDXJSESSA-N 1 3 306.450 2.845 20 0 DFADHO CC(C)[C@@H](C)[NH+]1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000682075138 545791332 /nfs/dbraw/zinc/79/13/32/545791332.db2.gz RJJYTDBOAHIWNB-GOSISDBHSA-N 1 3 303.494 2.781 20 0 DFADHO COCCOCc1ccc(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000289528934 221043827 /nfs/dbraw/zinc/04/38/27/221043827.db2.gz BSPPRZQWJPBEBF-RTBURBONSA-N 1 3 320.477 2.812 20 0 DFADHO COCCOCc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000289898394 221301684 /nfs/dbraw/zinc/30/16/84/221301684.db2.gz YHGCSTKKAZRSGE-UHFFFAOYSA-N 1 3 318.461 2.566 20 0 DFADHO CCOc1ccc(Cl)cc1[C@@H](C)NCCOCC[NH2+]C ZINC000629529113 399636729 /nfs/dbraw/zinc/63/67/29/399636729.db2.gz RWMNJQAVQZDAJK-GFCCVEGCSA-N 1 3 300.830 2.625 20 0 DFADHO CC[C@H](NCCOCC[NH2+]C)c1cc(Cl)ccc1OC ZINC000629528993 399636964 /nfs/dbraw/zinc/63/69/64/399636964.db2.gz ORLBNBIPXDRDLW-AWEZNQCLSA-N 1 3 300.830 2.625 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000289967547 221347372 /nfs/dbraw/zinc/34/73/72/221347372.db2.gz NERKVTNYCXUGTB-MSOLQXFVSA-N 1 3 315.461 2.999 20 0 DFADHO CC[C@H](NCCOCCC[NH3+])c1cccc(Br)c1 ZINC000629535095 399638854 /nfs/dbraw/zinc/63/88/54/399638854.db2.gz CQZYSCSTJKNDET-AWEZNQCLSA-N 1 3 315.255 2.855 20 0 DFADHO C[C@@H]1CC[C@H](N[C@H]2CCCN(Cc3ccccc3)[C@H]2C)C[NH2+]1 ZINC000629538424 399640171 /nfs/dbraw/zinc/64/01/71/399640171.db2.gz JOLSHYUCANASRN-NEPXVJNWSA-N 1 3 301.478 2.770 20 0 DFADHO CC(C)c1ccc(O[C@H](C)C[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000629581113 399653947 /nfs/dbraw/zinc/65/39/47/399653947.db2.gz NMHSBGBXUCKOGE-SJLPKXTDSA-N 1 3 320.477 2.624 20 0 DFADHO CCC(CC)(CNC[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000629585271 399656238 /nfs/dbraw/zinc/65/62/38/399656238.db2.gz PESMLIJVMQBZRR-GOSISDBHSA-N 1 3 322.468 2.930 20 0 DFADHO CC(C)CC[C@@H]1CC[C@H](NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000629549766 399644998 /nfs/dbraw/zinc/64/49/98/399644998.db2.gz LHAQFLOMLWURJR-HLLBOEOZSA-N 1 3 305.470 2.507 20 0 DFADHO FC(F)(F)C1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000629550581 399645242 /nfs/dbraw/zinc/64/52/42/399645242.db2.gz NXUHKZQFRDHDGL-BFHYXJOUSA-N 1 3 320.399 2.856 20 0 DFADHO CN(CCOCC[NH3+])Cc1ccc(F)c(-c2cccs2)c1 ZINC000629663165 399681196 /nfs/dbraw/zinc/68/11/96/399681196.db2.gz KGULESWFWMTNHJ-UHFFFAOYSA-N 1 3 308.422 2.961 20 0 DFADHO C[NH2+]CCOCCN(C)Cc1cccc(OC2CCCC2)c1 ZINC000629652595 399676354 /nfs/dbraw/zinc/67/63/54/399676354.db2.gz JBAFBWQFYCHIJH-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO Cc1cc(C[NH3+])ccc1-c1ccccc1CN1CCN(C)CC1 ZINC000629735496 399707522 /nfs/dbraw/zinc/70/75/22/399707522.db2.gz ZDPMUZTTYWIKED-UHFFFAOYSA-N 1 3 309.457 2.868 20 0 DFADHO COC1(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000090650847 542538070 /nfs/dbraw/zinc/53/80/70/542538070.db2.gz DNVNYMCDDUCCIK-WMZOPIPTSA-N 1 3 324.509 2.815 20 0 DFADHO COC1(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000090650847 542538073 /nfs/dbraw/zinc/53/80/73/542538073.db2.gz DNVNYMCDDUCCIK-WMZOPIPTSA-N 1 3 324.509 2.815 20 0 DFADHO CCCCCC(=O)NC1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000348082275 285335239 /nfs/dbraw/zinc/33/52/39/285335239.db2.gz YFVJHPSBROHZPK-QGZVFWFLSA-N 1 3 309.498 2.632 20 0 DFADHO Cc1cccc(Cl)c1CN(C)CCC[NH+]1CCN(C)CC1 ZINC000295035030 224393376 /nfs/dbraw/zinc/39/33/76/224393376.db2.gz WANHHGIUOXJJBU-UHFFFAOYSA-N 1 3 309.885 2.718 20 0 DFADHO CN(Cc1ncccc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000093088680 542551399 /nfs/dbraw/zinc/55/13/99/542551399.db2.gz JZHOLLQTIJZYPC-UHFFFAOYSA-N 1 3 301.356 2.874 20 0 DFADHO [NH3+]CCCOC1CCN(CCSc2ccc(F)cc2)CC1 ZINC000094072665 542555384 /nfs/dbraw/zinc/55/53/84/542555384.db2.gz KTPHUVLHBBPONT-UHFFFAOYSA-N 1 3 312.454 2.748 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)CC1CCCC1 ZINC000617505583 399720001 /nfs/dbraw/zinc/72/00/01/399720001.db2.gz ITEMGEOUJVASGB-HOTGVXAUSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)CC1CCCC1 ZINC000617505583 399720006 /nfs/dbraw/zinc/72/00/06/399720006.db2.gz ITEMGEOUJVASGB-HOTGVXAUSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@H](CC1CCCC1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505582 399720761 /nfs/dbraw/zinc/72/07/61/399720761.db2.gz ITEMGEOUJVASGB-CVEARBPZSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@H](CC1CCCC1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505582 399720762 /nfs/dbraw/zinc/72/07/62/399720762.db2.gz ITEMGEOUJVASGB-CVEARBPZSA-N 1 3 311.514 2.591 20 0 DFADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000348098342 285346746 /nfs/dbraw/zinc/34/67/46/285346746.db2.gz ARUNVVHFLZOQEK-HUUCEWRRSA-N 1 3 316.367 2.948 20 0 DFADHO C[C@]1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCCCN1 ZINC000423770108 296445501 /nfs/dbraw/zinc/44/55/01/296445501.db2.gz HDPSMBDGQCLBDS-LJQANCHMSA-N 1 3 315.461 2.796 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000423779663 296446797 /nfs/dbraw/zinc/44/67/97/296446797.db2.gz FMLSJBWHMWBAEL-FUHWJXTLSA-N 1 3 303.450 2.903 20 0 DFADHO CC(C)N(C(=O)CN1CCC(CC[NH+](C)C)CC1)C1CCCC1 ZINC000121617248 195316953 /nfs/dbraw/zinc/31/69/53/195316953.db2.gz FHRBXUOKOCAYSF-UHFFFAOYSA-N 1 3 323.525 2.830 20 0 DFADHO CCN(CCOC1CCOCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063420 399742879 /nfs/dbraw/zinc/74/28/79/399742879.db2.gz COSQGDSIFWEFJS-UHFFFAOYSA-N 1 3 320.477 2.766 20 0 DFADHO CO[C@@H](Cc1ccccc1)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000296673778 533377791 /nfs/dbraw/zinc/37/77/91/533377791.db2.gz HGSLHYAVCSQGKB-RBUKOAKNSA-N 1 3 302.462 2.662 20 0 DFADHO CO[C@@H](Cc1ccccc1)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000296673778 533377792 /nfs/dbraw/zinc/37/77/92/533377792.db2.gz HGSLHYAVCSQGKB-RBUKOAKNSA-N 1 3 302.462 2.662 20 0 DFADHO CCC1(N2CCOCC2)CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000624704449 399752454 /nfs/dbraw/zinc/75/24/54/399752454.db2.gz UHRPVXMJRUJDIX-UHFFFAOYSA-N 1 3 314.433 2.644 20 0 DFADHO CCc1cc(N2CCC(CC)(N3CCOCC3)CC2)cc[nH+]1 ZINC000624704182 399752659 /nfs/dbraw/zinc/75/26/59/399752659.db2.gz OWTOABGZGAQLDY-UHFFFAOYSA-N 1 3 303.450 2.725 20 0 DFADHO COC(=O)Nc1ccc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000496135400 300020193 /nfs/dbraw/zinc/02/01/93/300020193.db2.gz VVVZYKXEUHHVFY-JKSUJKDBSA-N 1 3 305.422 2.657 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000629961025 399770592 /nfs/dbraw/zinc/77/05/92/399770592.db2.gz GSARFIJDXXMNNO-IAGOWNOFSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000629961025 399770596 /nfs/dbraw/zinc/77/05/96/399770596.db2.gz GSARFIJDXXMNNO-IAGOWNOFSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)N1CCCCCC1 ZINC000423967438 296469702 /nfs/dbraw/zinc/46/97/02/296469702.db2.gz JJMWFKARQZPILE-AEFFLSMTSA-N 1 3 317.477 2.847 20 0 DFADHO CC[C@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)N(CC)CC ZINC000423972913 296470537 /nfs/dbraw/zinc/47/05/37/296470537.db2.gz PUAHXWGDIXWPFV-IAGOWNOFSA-N 1 3 305.466 2.703 20 0 DFADHO CC[C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)N(CC)CC ZINC000423979233 296471084 /nfs/dbraw/zinc/47/10/84/296471084.db2.gz OVAKEFKZNQDXFA-AWEZNQCLSA-N 1 3 324.494 2.669 20 0 DFADHO C[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C1CCOCC1 ZINC000162601464 542738319 /nfs/dbraw/zinc/73/83/19/542738319.db2.gz VHLMFASSEJIVER-OAHLLOKOSA-N 1 3 306.450 2.532 20 0 DFADHO CCC[NH+]1CCC(NCCN2c3ccccc3C[C@@H]2C)CC1 ZINC000162721452 542739520 /nfs/dbraw/zinc/73/95/20/542739520.db2.gz SOSPFMIUFUXCIS-INIZCTEOSA-N 1 3 301.478 2.902 20 0 DFADHO CN(C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166232929 542749872 /nfs/dbraw/zinc/74/98/72/542749872.db2.gz ZNXRIXXTNGPFSW-RCCFBDPRSA-N 1 3 305.441 2.645 20 0 DFADHO CN(C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166232929 542749876 /nfs/dbraw/zinc/74/98/76/542749876.db2.gz ZNXRIXXTNGPFSW-RCCFBDPRSA-N 1 3 305.441 2.645 20 0 DFADHO COc1ccc(CCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000166325654 542752019 /nfs/dbraw/zinc/75/20/19/542752019.db2.gz LIZDMCSWEQLGCI-IAGOWNOFSA-N 1 3 318.461 2.853 20 0 DFADHO COc1ccc(CCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000166325654 542752024 /nfs/dbraw/zinc/75/20/24/542752024.db2.gz LIZDMCSWEQLGCI-IAGOWNOFSA-N 1 3 318.461 2.853 20 0 DFADHO COc1ccc(COCCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166467671 542752045 /nfs/dbraw/zinc/75/20/45/542752045.db2.gz FKYCVDLFRFYYNG-QZTJIDSGSA-N 1 3 318.461 2.818 20 0 DFADHO COc1ccc(COCCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166467671 542752049 /nfs/dbraw/zinc/75/20/49/542752049.db2.gz FKYCVDLFRFYYNG-QZTJIDSGSA-N 1 3 318.461 2.818 20 0 DFADHO C[C@@H](CCNC(=O)c1cccc(CN2CCCCC2)c1)[NH+](C)C ZINC000617762438 399793704 /nfs/dbraw/zinc/79/37/04/399793704.db2.gz PACALDIHHLRPEM-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO CN(C)CCOc1cccc(-c2cccc3c2C[C@@H]2[C@H]([NH3+])[C@H]32)c1 ZINC000630051911 399802052 /nfs/dbraw/zinc/80/20/52/399802052.db2.gz SMQRVEXDAJYNRS-ZCNNSNEGSA-N 1 3 308.425 2.891 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)Nc2ccccc2CNC)CC1 ZINC000632948061 399803799 /nfs/dbraw/zinc/80/37/99/399803799.db2.gz FBNGFNJOEJYTPM-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000339070197 543140049 /nfs/dbraw/zinc/14/00/49/543140049.db2.gz XQDDZUUQCGYJLC-FHWLQOOXSA-N 1 3 301.478 2.814 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000339070197 543140051 /nfs/dbraw/zinc/14/00/51/543140051.db2.gz XQDDZUUQCGYJLC-FHWLQOOXSA-N 1 3 301.478 2.814 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N(C)Cc1ccccc1 ZINC000339066207 543140127 /nfs/dbraw/zinc/14/01/27/543140127.db2.gz FUVPKSLYIIMZGG-QRQLOZEOSA-N 1 3 301.478 2.723 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)N(C)Cc1ccccc1 ZINC000339066207 543140129 /nfs/dbraw/zinc/14/01/29/543140129.db2.gz FUVPKSLYIIMZGG-QRQLOZEOSA-N 1 3 301.478 2.723 20 0 DFADHO CO[C@]1(C)CCC[N@@H+](CC[C@@H](C)N2CCC[C@](C)(OC)C2)C1 ZINC000348247789 543183825 /nfs/dbraw/zinc/18/38/25/543183825.db2.gz WOXPYJCOCNZRFP-KURKYZTESA-N 1 3 312.498 2.767 20 0 DFADHO CO[C@]1(C)CCC[N@H+](CC[C@@H](C)N2CCC[C@](C)(OC)C2)C1 ZINC000348247789 543183828 /nfs/dbraw/zinc/18/38/28/543183828.db2.gz WOXPYJCOCNZRFP-KURKYZTESA-N 1 3 312.498 2.767 20 0 DFADHO CO[C@]1(C)CCCN([C@H](C)CC[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348247792 543184109 /nfs/dbraw/zinc/18/41/09/543184109.db2.gz WOXPYJCOCNZRFP-KZNAEPCWSA-N 1 3 312.498 2.767 20 0 DFADHO CO[C@]1(C)CCCN([C@H](C)CC[N@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348247792 543184110 /nfs/dbraw/zinc/18/41/10/543184110.db2.gz WOXPYJCOCNZRFP-KZNAEPCWSA-N 1 3 312.498 2.767 20 0 DFADHO CCC[C@@H](C)CCC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000625249694 399867445 /nfs/dbraw/zinc/86/74/45/399867445.db2.gz ZVSBGLRDUCXQMB-MRXNPFEDSA-N 1 3 311.514 2.593 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@](C)(CO)Cc1ccccc1 ZINC000357815040 543264300 /nfs/dbraw/zinc/26/43/00/543264300.db2.gz VESMVOSHUFHWQY-PSBWJHGTSA-N 1 3 304.478 2.546 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@](C)(CO)Cc1ccccc1 ZINC000357815040 543264304 /nfs/dbraw/zinc/26/43/04/543264304.db2.gz VESMVOSHUFHWQY-PSBWJHGTSA-N 1 3 304.478 2.546 20 0 DFADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000390728026 543306869 /nfs/dbraw/zinc/30/68/69/543306869.db2.gz SXWVXQZLGODFAY-WMZOPIPTSA-N 1 3 319.493 2.634 20 0 DFADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000390728025 543307016 /nfs/dbraw/zinc/30/70/16/543307016.db2.gz SXWVXQZLGODFAY-AEFFLSMTSA-N 1 3 319.493 2.634 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N(C)C ZINC000132467849 145210083 /nfs/dbraw/zinc/21/00/83/145210083.db2.gz YKYGOXNYVCOJNJ-MSOLQXFVSA-N 1 3 323.525 2.687 20 0 DFADHO CC(C)[C@@H](O)CC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000165358953 145228749 /nfs/dbraw/zinc/22/87/49/145228749.db2.gz YONPGNAWZPVPAT-QAPCUYQASA-N 1 3 308.466 2.685 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167622306 145240752 /nfs/dbraw/zinc/24/07/52/145240752.db2.gz RVRVPGHSBWWTGY-OFQRWUPVSA-N 1 3 305.466 2.605 20 0 DFADHO CC(C)C[C@H](C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170781907 145253204 /nfs/dbraw/zinc/25/32/04/145253204.db2.gz SFUHGUGUIRYCGC-INIZCTEOSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H](CC[NH3+])NCc1ccc(Br)c2cccnc12 ZINC000414900698 543327833 /nfs/dbraw/zinc/32/78/33/543327833.db2.gz WLLFIGWUONJBNV-JTQLQIEISA-N 1 3 308.223 2.824 20 0 DFADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000415025126 543328290 /nfs/dbraw/zinc/32/82/90/543328290.db2.gz ZPKQZVWRQWLKAP-NXEZZACHSA-N 1 3 308.223 2.823 20 0 DFADHO C[C@@H]1C[C@@H](NCc2ccc(=O)[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000631085273 399977696 /nfs/dbraw/zinc/97/76/96/399977696.db2.gz JMSOAOTUDCZKNA-QAPCUYQASA-N 1 3 311.429 2.930 20 0 DFADHO C[C@@H]1C[C@@H](NCc2ccc(=O)[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000631085273 399977697 /nfs/dbraw/zinc/97/76/97/399977697.db2.gz JMSOAOTUDCZKNA-QAPCUYQASA-N 1 3 311.429 2.930 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000628544331 400039533 /nfs/dbraw/zinc/03/95/33/400039533.db2.gz DLXBOLRBHRAUMO-HOCLYGCPSA-N 1 3 309.498 2.676 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000634120878 399985252 /nfs/dbraw/zinc/98/52/52/399985252.db2.gz PQMOAEXNCHMJPD-XHSDSOJGSA-N 1 3 309.498 2.581 20 0 DFADHO C[NH+]1CCC([C@H]2CCN(Cc3cnc4ccccc4n3)C2)CC1 ZINC000628279851 400012653 /nfs/dbraw/zinc/01/26/53/400012653.db2.gz CQFAQSIMWZMEFC-INIZCTEOSA-N 1 3 310.445 2.794 20 0 DFADHO C[C@]1(C[NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CCCS1 ZINC000628337992 400022264 /nfs/dbraw/zinc/02/22/64/400022264.db2.gz XABIZXJDNGBUBL-ZWKOTPCHSA-N 1 3 320.502 2.629 20 0 DFADHO C[C@@]1(C[NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CCCS1 ZINC000628337991 400022473 /nfs/dbraw/zinc/02/24/73/400022473.db2.gz XABIZXJDNGBUBL-ROUUACIJSA-N 1 3 320.502 2.629 20 0 DFADHO C[N@@H+]1CCCC[C@H](CNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000628748974 400052591 /nfs/dbraw/zinc/05/25/91/400052591.db2.gz ZKMMGIYIEGNUOA-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@H+]1CCCC[C@H](CNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000628748974 400052592 /nfs/dbraw/zinc/05/25/92/400052592.db2.gz ZKMMGIYIEGNUOA-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO CCC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(C)ccn1 ZINC000631625715 400059569 /nfs/dbraw/zinc/05/95/69/400059569.db2.gz QBKJBVSBQFNSMO-KRWDZBQOSA-N 1 3 318.509 2.847 20 0 DFADHO CC(C)[C@H]1CN([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCN1C ZINC000631794095 400075734 /nfs/dbraw/zinc/07/57/34/400075734.db2.gz RMGGTNJQOOVMQP-MISYRCLQSA-N 1 3 315.505 2.779 20 0 DFADHO CC(C)[C@H]1CN([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCN1C ZINC000631794095 400075736 /nfs/dbraw/zinc/07/57/36/400075736.db2.gz RMGGTNJQOOVMQP-MISYRCLQSA-N 1 3 315.505 2.779 20 0 DFADHO c1cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c2c(c1)COCC2 ZINC000631827663 400078159 /nfs/dbraw/zinc/07/81/59/400078159.db2.gz UFGVPWYRPBLJQC-DNVCBOLYSA-N 1 3 300.446 2.723 20 0 DFADHO C[C@H](NCCOCC[NH+](C)C)c1cc(Br)cs1 ZINC000226401806 146004774 /nfs/dbraw/zinc/00/47/74/146004774.db2.gz BYKKIERBECQKNA-JTQLQIEISA-N 1 3 321.284 2.739 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@H](C)c1ccccc1OC(F)F ZINC000234697719 146018044 /nfs/dbraw/zinc/01/80/44/146018044.db2.gz CWNJWYJGTADBBK-NEPJUHHUSA-N 1 3 302.365 2.693 20 0 DFADHO CCCC[C@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000236767136 146025690 /nfs/dbraw/zinc/02/56/90/146025690.db2.gz NXVUFTUTPYKRQA-KRWDZBQOSA-N 1 3 309.498 2.619 20 0 DFADHO CCCC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236774490 146027432 /nfs/dbraw/zinc/02/74/32/146027432.db2.gz OOWYNHNEXJAVIC-GOSISDBHSA-N 1 3 317.477 2.806 20 0 DFADHO CCCC[C@H](N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000236788935 146027633 /nfs/dbraw/zinc/02/76/33/146027633.db2.gz WUXZOTDWEKEAJX-HOCLYGCPSA-N 1 3 305.466 2.750 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)c1ccsc1 ZINC000236837270 146028347 /nfs/dbraw/zinc/02/83/47/146028347.db2.gz DCFKCTBMTBIKIS-RDJZCZTQSA-N 1 3 323.506 2.779 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccc2c(c1)COC2 ZINC000349661950 285910309 /nfs/dbraw/zinc/91/03/09/285910309.db2.gz HHEZSBBYGNPFJI-HNNXBMFYSA-N 1 3 306.450 2.726 20 0 DFADHO C[C@H]1C[C@H](N(C)C(=O)CC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000237582897 146046786 /nfs/dbraw/zinc/04/67/86/146046786.db2.gz MSJCBFGLZRXRNE-DOTOQJQBSA-N 1 3 317.477 2.625 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H]2COC3(CCCCCC3)O2)[C@H](C)C1 ZINC000245559490 146083316 /nfs/dbraw/zinc/08/33/16/146083316.db2.gz IEWSMTKMAHNYPT-IKGGRYGDSA-N 1 3 310.482 2.772 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H]2COC3(CCCCCC3)O2)[C@H](C)C1 ZINC000245559490 146083318 /nfs/dbraw/zinc/08/33/18/146083318.db2.gz IEWSMTKMAHNYPT-IKGGRYGDSA-N 1 3 310.482 2.772 20 0 DFADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000245745781 146099217 /nfs/dbraw/zinc/09/92/17/146099217.db2.gz MRYSHNDXXNEZOT-MPGHIAIKSA-N 1 3 320.477 2.928 20 0 DFADHO COC[C@@H](Cc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000247089693 146160660 /nfs/dbraw/zinc/16/06/60/146160660.db2.gz NWYHEQAIICMISD-MSRNWOCLSA-N 1 3 302.462 2.849 20 0 DFADHO COC[C@@H](Cc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000247089693 146160665 /nfs/dbraw/zinc/16/06/65/146160665.db2.gz NWYHEQAIICMISD-MSRNWOCLSA-N 1 3 302.462 2.849 20 0 DFADHO CCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000247090594 146161048 /nfs/dbraw/zinc/16/10/48/146161048.db2.gz NZHWDEOMENFHDE-LFGUQSLTSA-N 1 3 315.505 2.969 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000247090594 146161052 /nfs/dbraw/zinc/16/10/52/146161052.db2.gz NZHWDEOMENFHDE-LFGUQSLTSA-N 1 3 315.505 2.969 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000247090594 146161057 /nfs/dbraw/zinc/16/10/57/146161057.db2.gz NZHWDEOMENFHDE-LFGUQSLTSA-N 1 3 315.505 2.969 20 0 DFADHO FC(F)COCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000249032365 146182373 /nfs/dbraw/zinc/18/23/73/146182373.db2.gz LTLXIWDBRLAGHY-YESZJQIVSA-N 1 3 324.415 2.768 20 0 DFADHO FC(F)COCCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000249032365 146182377 /nfs/dbraw/zinc/18/23/77/146182377.db2.gz LTLXIWDBRLAGHY-YESZJQIVSA-N 1 3 324.415 2.768 20 0 DFADHO FC(F)COCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000249032365 146182380 /nfs/dbraw/zinc/18/23/80/146182380.db2.gz LTLXIWDBRLAGHY-YESZJQIVSA-N 1 3 324.415 2.768 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CN1C1CC1 ZINC000249099393 146186608 /nfs/dbraw/zinc/18/66/08/146186608.db2.gz NGPJGKFKVHNQNT-QRQLOZEOSA-N 1 3 313.489 2.723 20 0 DFADHO CO[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000249091634 146187408 /nfs/dbraw/zinc/18/74/08/146187408.db2.gz NMUYFVYVFBWATI-NXWXRZEISA-N 1 3 302.462 2.912 20 0 DFADHO OC[C@@H]1C[N@H+](CCCN2CCCCC2)C[C@H]1c1ccsc1 ZINC000249329662 146194741 /nfs/dbraw/zinc/19/47/41/146194741.db2.gz HLKKEIKKYNSSNQ-IRXDYDNUSA-N 1 3 308.491 2.632 20 0 DFADHO OC[C@@H]1C[N@@H+](CCCN2CCCCC2)C[C@H]1c1ccsc1 ZINC000249329662 146194742 /nfs/dbraw/zinc/19/47/42/146194742.db2.gz HLKKEIKKYNSSNQ-IRXDYDNUSA-N 1 3 308.491 2.632 20 0 DFADHO CSC[C@H](O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000249459794 146197869 /nfs/dbraw/zinc/19/78/69/146197869.db2.gz OQNMWUQNELOTQO-BPQIPLTHSA-N 1 3 322.518 2.695 20 0 DFADHO CSC[C@H](O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000249459794 146197871 /nfs/dbraw/zinc/19/78/71/146197871.db2.gz OQNMWUQNELOTQO-BPQIPLTHSA-N 1 3 322.518 2.695 20 0 DFADHO CSC[C@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249459797 146198657 /nfs/dbraw/zinc/19/86/57/146198657.db2.gz OQNMWUQNELOTQO-CGTJXYLNSA-N 1 3 322.518 2.695 20 0 DFADHO CSC[C@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249459797 146198661 /nfs/dbraw/zinc/19/86/61/146198661.db2.gz OQNMWUQNELOTQO-CGTJXYLNSA-N 1 3 322.518 2.695 20 0 DFADHO O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000250128467 146209703 /nfs/dbraw/zinc/20/97/03/146209703.db2.gz WOBKMHWOVIVDIS-UEDWAMCQSA-N 1 3 314.473 2.790 20 0 DFADHO O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000250127778 146210202 /nfs/dbraw/zinc/21/02/02/146210202.db2.gz WOBKMHWOVIVDIS-MDMHHNQBSA-N 1 3 314.473 2.790 20 0 DFADHO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1cccc(OCCN(C)C)c1 ZINC000252010027 146220443 /nfs/dbraw/zinc/22/04/43/146220443.db2.gz XMZSJVGRZLZCBZ-WQANXHIZSA-N 1 3 318.461 2.845 20 0 DFADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000261555152 146239959 /nfs/dbraw/zinc/23/99/59/146239959.db2.gz UUDHVEJSSMBFKT-NSISKUIASA-N 1 3 307.441 2.995 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](Cc3cccc(N)c3)CC2)C[C@H](C)O1 ZINC000261616959 146247178 /nfs/dbraw/zinc/24/71/78/146247178.db2.gz BHKHSKZTASBMPU-IYBDPMFKSA-N 1 3 317.477 2.590 20 0 DFADHO CC[C@H]1C[C@H](C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CCO1 ZINC000261702657 146262688 /nfs/dbraw/zinc/26/26/88/146262688.db2.gz JLPQFUOCOMQYIV-YSHGAJCASA-N 1 3 302.462 2.866 20 0 DFADHO CC[C@H]1C[C@H](C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CCO1 ZINC000261702657 146262690 /nfs/dbraw/zinc/26/26/90/146262690.db2.gz JLPQFUOCOMQYIV-YSHGAJCASA-N 1 3 302.462 2.866 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(OC(F)(F)F)cc3)C[C@H]12 ZINC000261716336 146264958 /nfs/dbraw/zinc/26/49/58/146264958.db2.gz PPEGQQJAQXDAFX-FPMFFAJLSA-N 1 3 300.324 2.754 20 0 DFADHO CCOc1ccc(OCCN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000261781925 146275762 /nfs/dbraw/zinc/27/57/62/146275762.db2.gz RYUPKVQAHWGCPL-LJQANCHMSA-N 1 3 318.461 2.928 20 0 DFADHO Cc1cc2cc(CN3CC[C@H](N4CC[NH2+]CC4)C3)oc2cc1C ZINC000261827819 146284813 /nfs/dbraw/zinc/28/48/13/146284813.db2.gz AAWQNURWHOQJBN-KRWDZBQOSA-N 1 3 313.445 2.529 20 0 DFADHO CCN(C[C@@]1(C)CC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261909159 146300633 /nfs/dbraw/zinc/30/06/33/146300633.db2.gz XTBROZYCHWGAMW-OALUTQOASA-N 1 3 301.478 2.582 20 0 DFADHO CCCOc1ccc(OCCN2CCC(C[NH2+]C)CC2)cc1 ZINC000261941242 146305430 /nfs/dbraw/zinc/30/54/30/146305430.db2.gz LLDVFIKWBDXJTJ-UHFFFAOYSA-N 1 3 306.450 2.786 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000261942514 146307799 /nfs/dbraw/zinc/30/77/99/146307799.db2.gz UZRPMCHJAYKXMF-GOSISDBHSA-N 1 3 321.509 2.619 20 0 DFADHO C[NH2+]CC1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000261956532 146309976 /nfs/dbraw/zinc/30/99/76/146309976.db2.gz NZRVHRBXCIGISX-UHFFFAOYSA-N 1 3 300.402 2.533 20 0 DFADHO C[C@]1(CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC[NH2+]C1 ZINC000261977862 146312717 /nfs/dbraw/zinc/31/27/17/146312717.db2.gz IXLUWVNNPMVQIA-BZSNNMDCSA-N 1 3 306.425 2.713 20 0 DFADHO C[C@@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccccc1Cl ZINC000261980825 146314764 /nfs/dbraw/zinc/31/47/64/146314764.db2.gz RHFQXEITOGOAOB-ZIAGYGMSSA-N 1 3 323.868 2.578 20 0 DFADHO CCCOc1ccc(OCCN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000262027894 146323972 /nfs/dbraw/zinc/32/39/72/146323972.db2.gz YINVRCOYOYGBQA-OAHLLOKOSA-N 1 3 306.450 2.913 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000262047989 146327028 /nfs/dbraw/zinc/32/70/28/146327028.db2.gz ZHCPUGKZJSZXEE-OLZOCXBDSA-N 1 3 304.463 2.708 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000262101991 146333234 /nfs/dbraw/zinc/33/32/34/146333234.db2.gz VROZUGDFFWCRGV-PKOBYXMFSA-N 1 3 301.478 2.582 20 0 DFADHO Fc1ccc(-n2cc(CN3CCC4(C3)CC[NH2+]CC4)cn2)cc1 ZINC000262102038 146333574 /nfs/dbraw/zinc/33/35/74/146333574.db2.gz VSCLCDWMSPOBKK-UHFFFAOYSA-N 1 3 314.408 2.587 20 0 DFADHO CCOc1ccccc1OCCN1CCC(CC[NH2+]C)CC1 ZINC000262341810 146352313 /nfs/dbraw/zinc/35/23/13/146352313.db2.gz UKMMVIBAPCNMAL-UHFFFAOYSA-N 1 3 306.450 2.786 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000262364158 146353612 /nfs/dbraw/zinc/35/36/12/146353612.db2.gz WRUDCBOIKNMEMT-NCXUSEDFSA-N 1 3 301.478 2.800 20 0 DFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])N(C)C)cc1 ZINC000263217902 146436025 /nfs/dbraw/zinc/43/60/25/146436025.db2.gz LGCPIEXLSYZIFV-LNLFQRSKSA-N 1 3 317.477 2.622 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2scnc2C2CC2)CC1 ZINC000486962387 543400517 /nfs/dbraw/zinc/40/05/17/543400517.db2.gz CFHHHESLTDZXTI-UHFFFAOYSA-N 1 3 322.522 2.528 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000354928570 147199091 /nfs/dbraw/zinc/19/90/91/147199091.db2.gz GLBXEKYLVWGJED-LUKYLMHMSA-N 1 3 309.498 2.628 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000354928570 147199097 /nfs/dbraw/zinc/19/90/97/147199097.db2.gz GLBXEKYLVWGJED-LUKYLMHMSA-N 1 3 309.498 2.628 20 0 DFADHO CC[NH+](CC)CC1CCN(Cc2ccc(OC)c(O)c2)CC1 ZINC000350144162 286010233 /nfs/dbraw/zinc/01/02/33/286010233.db2.gz BVJZOHIARCVBNZ-UHFFFAOYSA-N 1 3 306.450 2.955 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2CCC(C[NH+](C)C)CC2)o1 ZINC000350145340 286010578 /nfs/dbraw/zinc/01/05/78/286010578.db2.gz HITLCYCKCPRYRL-UHFFFAOYSA-N 1 3 302.422 2.752 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+]([C@H](C)CCc2ccccc2)CC1 ZINC000357639107 148066359 /nfs/dbraw/zinc/06/63/59/148066359.db2.gz VOEMNUUXJGHDEJ-IAGOWNOFSA-N 1 3 304.478 2.785 20 0 DFADHO CC[NH+](CC)CC1CCN(Cc2ccc3c(c2)nnn3C)CC1 ZINC000350225881 286019800 /nfs/dbraw/zinc/01/98/00/286019800.db2.gz YTYKRMCXFJHQPT-UHFFFAOYSA-N 1 3 315.465 2.522 20 0 DFADHO COCC[C@H](NCc1cc(C2CC[NH2+]CC2)no1)C(C)(C)C ZINC000425894454 296603171 /nfs/dbraw/zinc/60/31/71/296603171.db2.gz GTDCLECSHRLRER-INIZCTEOSA-N 1 3 309.454 2.682 20 0 DFADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000358002569 148206950 /nfs/dbraw/zinc/20/69/50/148206950.db2.gz GRNTZCUAKWSGDV-RHSMWYFYSA-N 1 3 303.450 2.711 20 0 DFADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000358002569 148206953 /nfs/dbraw/zinc/20/69/53/148206953.db2.gz GRNTZCUAKWSGDV-RHSMWYFYSA-N 1 3 303.450 2.711 20 0 DFADHO CO[C@H](c1ccccc1)[C@H](C)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000279609508 286023927 /nfs/dbraw/zinc/02/39/27/286023927.db2.gz XFRVBZGETSUNNF-AOIWGVFYSA-N 1 3 320.477 2.853 20 0 DFADHO CO[C@H](c1ccccc1)[C@H](C)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000279609508 286023929 /nfs/dbraw/zinc/02/39/29/286023929.db2.gz XFRVBZGETSUNNF-AOIWGVFYSA-N 1 3 320.477 2.853 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCOCc2cccc(OC)c2)[C@@H](C)C1 ZINC000358239809 148299278 /nfs/dbraw/zinc/29/92/78/148299278.db2.gz ZOEFIKPFZWHDSI-MAUKXSAKSA-N 1 3 306.450 2.532 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCOCc2cccc(OC)c2)[C@@H](C)C1 ZINC000358239809 148299283 /nfs/dbraw/zinc/29/92/83/148299283.db2.gz ZOEFIKPFZWHDSI-MAUKXSAKSA-N 1 3 306.450 2.532 20 0 DFADHO CC(C)c1ccc2c(c1)[C@@H](NC[C@]1(O)CC[N@H+](C)C1)CCC2 ZINC000358251564 148304242 /nfs/dbraw/zinc/30/42/42/148304242.db2.gz KRLXCTWLCMVXBS-RBUKOAKNSA-N 1 3 302.462 2.844 20 0 DFADHO CC(C)c1ccc2c(c1)[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)CCC2 ZINC000358251564 148304244 /nfs/dbraw/zinc/30/42/44/148304244.db2.gz KRLXCTWLCMVXBS-RBUKOAKNSA-N 1 3 302.462 2.844 20 0 DFADHO COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc1OC ZINC000425914061 296604344 /nfs/dbraw/zinc/60/43/44/296604344.db2.gz AUCMELHWWIKMMM-DZGCQCFKSA-N 1 3 308.466 2.731 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCN4CCC4)[C@H]3C2)cc1 ZINC000358572577 148389443 /nfs/dbraw/zinc/38/94/43/148389443.db2.gz QPHSBMPEPBQUTH-SLFFLAALSA-N 1 3 313.489 2.582 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCN4CCC4)[C@H]3C2)cc1 ZINC000358572577 148389447 /nfs/dbraw/zinc/38/94/47/148389447.db2.gz QPHSBMPEPBQUTH-SLFFLAALSA-N 1 3 313.489 2.582 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCN4CCC4)[C@H]3C2)cc1 ZINC000358572577 148389448 /nfs/dbraw/zinc/38/94/48/148389448.db2.gz QPHSBMPEPBQUTH-SLFFLAALSA-N 1 3 313.489 2.582 20 0 DFADHO Clc1cccc(CN2CCN(CCC3CC[NH2+]CC3)CC2)c1 ZINC000359207118 148599585 /nfs/dbraw/zinc/59/95/85/148599585.db2.gz IQXQYMDNILIVPU-UHFFFAOYSA-N 1 3 321.896 2.847 20 0 DFADHO COCCNc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000361183960 149049424 /nfs/dbraw/zinc/04/94/24/149049424.db2.gz HMBLZWLUMOKWCD-RLFYNMQTSA-N 1 3 305.466 2.563 20 0 DFADHO COCCNc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000361183960 149049427 /nfs/dbraw/zinc/04/94/27/149049427.db2.gz HMBLZWLUMOKWCD-RLFYNMQTSA-N 1 3 305.466 2.563 20 0 DFADHO Cc1cccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000361346307 149092070 /nfs/dbraw/zinc/09/20/70/149092070.db2.gz NTCIRSWBSHFDDF-MRXNPFEDSA-N 1 3 317.477 2.588 20 0 DFADHO C[C@H]1C[C@H]([NH2+]CCN2CCCC2)CCN1Cc1ccccc1 ZINC000361345146 149092251 /nfs/dbraw/zinc/09/22/51/149092251.db2.gz YCOYGDSWPOQKAV-PKOBYXMFSA-N 1 3 301.478 2.725 20 0 DFADHO Cc1ccsc1[C@@H](C)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361354208 149094313 /nfs/dbraw/zinc/09/43/13/149094313.db2.gz DSKQBQLADUPBOZ-CQSZACIVSA-N 1 3 323.506 2.650 20 0 DFADHO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cccc(OCCN(C)C)c1 ZINC000361396336 149105300 /nfs/dbraw/zinc/10/53/00/149105300.db2.gz GARVOLPQDOZFRC-QAPCUYQASA-N 1 3 306.450 2.704 20 0 DFADHO CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361495211 149130400 /nfs/dbraw/zinc/13/04/00/149130400.db2.gz CQJMQSMBDGESGJ-WMZOPIPTSA-N 1 3 321.509 2.584 20 0 DFADHO CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361495211 149130402 /nfs/dbraw/zinc/13/04/02/149130402.db2.gz CQJMQSMBDGESGJ-WMZOPIPTSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]([NH2+]C1CCC(CO)CC1)c1cccc(OCCN(C)C)c1 ZINC000361979679 149269313 /nfs/dbraw/zinc/26/93/13/149269313.db2.gz BLLOVNKCNNAGKD-KLHKWILBSA-N 1 3 320.477 2.829 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C(=O)c2ccccc2CN(C)C)CC1 ZINC000362547805 149303775 /nfs/dbraw/zinc/30/37/75/149303775.db2.gz MVZAIQVXJZGSPH-UHFFFAOYSA-N 1 3 317.477 2.693 20 0 DFADHO CN(C)CCOc1cc(C[NH2+]C2CCC3(CC3)CC2)ccn1 ZINC000362922778 149398279 /nfs/dbraw/zinc/39/82/79/149398279.db2.gz FWFZTIADWFLATC-UHFFFAOYSA-N 1 3 303.450 2.834 20 0 DFADHO C[N@H+](C[C@H](O)CN1CC[C@@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538085 286147084 /nfs/dbraw/zinc/14/70/84/286147084.db2.gz QUQLYGDKESMQFU-VQTJNVASSA-N 1 3 316.489 2.786 20 0 DFADHO C[N@@H+](C[C@H](O)CN1CC[C@@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538085 286147085 /nfs/dbraw/zinc/14/70/85/286147085.db2.gz QUQLYGDKESMQFU-VQTJNVASSA-N 1 3 316.489 2.786 20 0 DFADHO CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000371280292 150014986 /nfs/dbraw/zinc/01/49/86/150014986.db2.gz OQRMRMYLZWPHGL-SQNIBIBYSA-N 1 3 315.461 2.552 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000371322555 150022406 /nfs/dbraw/zinc/02/24/06/150022406.db2.gz ZTQNLSBTTQSAGD-ROUUACIJSA-N 1 3 321.509 2.585 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000371322555 150022408 /nfs/dbraw/zinc/02/24/08/150022408.db2.gz ZTQNLSBTTQSAGD-ROUUACIJSA-N 1 3 321.509 2.585 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000371322555 150022411 /nfs/dbraw/zinc/02/24/11/150022411.db2.gz ZTQNLSBTTQSAGD-ROUUACIJSA-N 1 3 321.509 2.585 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000371322555 150022413 /nfs/dbraw/zinc/02/24/13/150022413.db2.gz ZTQNLSBTTQSAGD-ROUUACIJSA-N 1 3 321.509 2.585 20 0 DFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccco1 ZINC000374283751 150336602 /nfs/dbraw/zinc/33/66/02/150336602.db2.gz MSZTWUQMHYGUCM-UHFFFAOYSA-N 1 3 319.493 2.908 20 0 DFADHO CCc1nocc1CN1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000351687256 286193822 /nfs/dbraw/zinc/19/38/22/286193822.db2.gz VMCKPXVPLCLKBF-UHFFFAOYSA-N 1 3 323.481 2.807 20 0 DFADHO CCc1nocc1CN1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000351687256 286193823 /nfs/dbraw/zinc/19/38/23/286193823.db2.gz VMCKPXVPLCLKBF-UHFFFAOYSA-N 1 3 323.481 2.807 20 0 DFADHO CCOCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426809567 296641978 /nfs/dbraw/zinc/64/19/78/296641978.db2.gz FGCDVHIOLXMTRY-IAGOWNOFSA-N 1 3 312.498 2.624 20 0 DFADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@H](C(C)C)N1CCCCC1 ZINC000351787809 286218521 /nfs/dbraw/zinc/21/85/21/286218521.db2.gz XGHIEUPBOAPCLF-SFHVURJKSA-N 1 3 323.525 2.831 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000351897552 286239857 /nfs/dbraw/zinc/23/98/57/286239857.db2.gz PUAKVAKYILXIQF-KRWDZBQOSA-N 1 3 321.465 2.732 20 0 DFADHO NCCC[N@H+](CCC(=O)Nc1ccccc1F)CC1CCCC1 ZINC000352489002 286386475 /nfs/dbraw/zinc/38/64/75/286386475.db2.gz WWPHLGRXFRNXOS-UHFFFAOYSA-N 1 3 321.440 2.995 20 0 DFADHO NCCC[N@@H+](CCC(=O)Nc1ccccc1F)CC1CCCC1 ZINC000352489002 286386476 /nfs/dbraw/zinc/38/64/76/286386476.db2.gz WWPHLGRXFRNXOS-UHFFFAOYSA-N 1 3 321.440 2.995 20 0 DFADHO [NH3+]CCCN(CCC(=O)Nc1ccccc1F)CC1CCCC1 ZINC000352489002 286386477 /nfs/dbraw/zinc/38/64/77/286386477.db2.gz WWPHLGRXFRNXOS-UHFFFAOYSA-N 1 3 321.440 2.995 20 0 DFADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)NCc1ccccc1Cl ZINC000352504072 286391281 /nfs/dbraw/zinc/39/12/81/286391281.db2.gz MWWGYLJNOXSCTE-OAHLLOKOSA-N 1 3 323.868 2.550 20 0 DFADHO NCC[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000352504072 286391282 /nfs/dbraw/zinc/39/12/82/286391282.db2.gz MWWGYLJNOXSCTE-OAHLLOKOSA-N 1 3 323.868 2.550 20 0 DFADHO NCC[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000352504072 286391283 /nfs/dbraw/zinc/39/12/83/286391283.db2.gz MWWGYLJNOXSCTE-OAHLLOKOSA-N 1 3 323.868 2.550 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN2CCCCC2)C12CCOCC2 ZINC000186261204 286387687 /nfs/dbraw/zinc/38/76/87/286387687.db2.gz MZYWNSMZTYJAON-FGTMMUONSA-N 1 3 324.509 2.672 20 0 DFADHO [NH3+]CC[C@@H]1CCCCN1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000352495171 286388164 /nfs/dbraw/zinc/38/81/64/286388164.db2.gz JERZOFYDIZGIHN-HKUYNNGSSA-N 1 3 318.461 2.948 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1CCCC[C@H]1CC[NH3+] ZINC000352487241 286385971 /nfs/dbraw/zinc/38/59/71/286385971.db2.gz BOJLPGIPOGUFEA-AWEZNQCLSA-N 1 3 307.413 2.666 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCCOc2cc(F)ccc21 ZINC000182113520 286443162 /nfs/dbraw/zinc/44/31/62/286443162.db2.gz VGPRTELPUVEIMF-WBVHZDCISA-N 1 3 324.440 2.986 20 0 DFADHO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000154324614 286567667 /nfs/dbraw/zinc/56/76/67/286567667.db2.gz SOGQFRBRTPVUNC-QGZVFWFLSA-N 1 3 319.493 2.764 20 0 DFADHO CC[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)C1(C(=O)OC)CCC1 ZINC000353339171 286617606 /nfs/dbraw/zinc/61/76/06/286617606.db2.gz VRFCUIQNHUBARL-CVEARBPZSA-N 1 3 310.482 2.820 20 0 DFADHO CC(C)O[C@H]1C[C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1(C)C ZINC000185227730 158050175 /nfs/dbraw/zinc/05/01/75/158050175.db2.gz ZMORAMHFOUEOQC-JQHSSLGASA-N 1 3 324.509 2.669 20 0 DFADHO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000185633562 158066027 /nfs/dbraw/zinc/06/60/27/158066027.db2.gz BCFAUGFMCGJSPX-JQHSSLGASA-N 1 3 317.477 2.526 20 0 DFADHO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000185633562 158066028 /nfs/dbraw/zinc/06/60/28/158066028.db2.gz BCFAUGFMCGJSPX-JQHSSLGASA-N 1 3 317.477 2.526 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCOC1 ZINC000247022647 158113900 /nfs/dbraw/zinc/11/39/00/158113900.db2.gz NADBBPJWJOTMEA-QXAKKESOSA-N 1 3 302.462 2.566 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)[C@@H](C)C1 ZINC000247025077 158114225 /nfs/dbraw/zinc/11/42/25/158114225.db2.gz PKXHOLKDMFCHDO-YOEHRIQHSA-N 1 3 316.424 2.831 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccccn2)[C@@H](C)C1 ZINC000248040391 158159188 /nfs/dbraw/zinc/15/91/88/158159188.db2.gz STGYOIDWDDAEEC-ULQDDVLXSA-N 1 3 305.466 2.869 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000248062006 158159212 /nfs/dbraw/zinc/15/92/12/158159212.db2.gz LWQYLQOBSVKJIO-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000248062006 158159215 /nfs/dbraw/zinc/15/92/15/158159215.db2.gz LWQYLQOBSVKJIO-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000248062006 158159216 /nfs/dbraw/zinc/15/92/16/158159216.db2.gz LWQYLQOBSVKJIO-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000248062006 158159217 /nfs/dbraw/zinc/15/92/17/158159217.db2.gz LWQYLQOBSVKJIO-IEBWSBKVSA-N 1 3 310.445 2.788 20 0 DFADHO CCOCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248389174 158170680 /nfs/dbraw/zinc/17/06/80/158170680.db2.gz AOALRBVAGMHLFR-GUDVDZBRSA-N 1 3 302.462 2.913 20 0 DFADHO CCOCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248389174 158170683 /nfs/dbraw/zinc/17/06/83/158170683.db2.gz AOALRBVAGMHLFR-GUDVDZBRSA-N 1 3 302.462 2.913 20 0 DFADHO CCOCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248389174 158170688 /nfs/dbraw/zinc/17/06/88/158170688.db2.gz AOALRBVAGMHLFR-GUDVDZBRSA-N 1 3 302.462 2.913 20 0 DFADHO CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248414053 158173642 /nfs/dbraw/zinc/17/36/42/158173642.db2.gz MBEMJSNVAZOCAI-MTQWCTHYSA-N 1 3 316.489 2.894 20 0 DFADHO COC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C1CC1 ZINC000248418024 158175089 /nfs/dbraw/zinc/17/50/89/158175089.db2.gz SAEUNOXVGQXAMS-WCIQWLHISA-N 1 3 314.473 2.912 20 0 DFADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000248627820 158190597 /nfs/dbraw/zinc/19/05/97/158190597.db2.gz FSNRUUGKPDLDJO-NQYYFHDYSA-N 1 3 301.478 2.894 20 0 DFADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000248627820 158190601 /nfs/dbraw/zinc/19/06/01/158190601.db2.gz FSNRUUGKPDLDJO-NQYYFHDYSA-N 1 3 301.478 2.894 20 0 DFADHO C[C@H](CO)CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000356903820 158320403 /nfs/dbraw/zinc/32/04/03/158320403.db2.gz SONKGLHPQQFVMW-MTFMMBMASA-N 1 3 316.489 2.895 20 0 DFADHO COCCOc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357040765 158355091 /nfs/dbraw/zinc/35/50/91/158355091.db2.gz CFBZHOBAWQCHFU-GOSISDBHSA-N 1 3 318.461 2.533 20 0 DFADHO CCN(CC)c1ncc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000357041707 158355115 /nfs/dbraw/zinc/35/51/15/158355115.db2.gz DACMDLZTPUYFKS-OAHLLOKOSA-N 1 3 322.522 2.811 20 0 DFADHO c1[nH]nc(-c2ccccc2)c1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357060911 158359400 /nfs/dbraw/zinc/35/94/00/158359400.db2.gz YPKFNHZVRFVAFG-KRWDZBQOSA-N 1 3 310.445 2.898 20 0 DFADHO CCOc1ccccc1OCCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357068282 158359999 /nfs/dbraw/zinc/35/99/99/158359999.db2.gz DSKCEZWZCFWSAS-KRWDZBQOSA-N 1 3 318.461 2.786 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000358670747 158397573 /nfs/dbraw/zinc/39/75/73/158397573.db2.gz WVOGERNTSWJGKM-ZIFCJYIRSA-N 1 3 303.494 2.969 20 0 DFADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000430587566 296798011 /nfs/dbraw/zinc/79/80/11/296798011.db2.gz WJFVGHFDNVCWFB-CVEARBPZSA-N 1 3 317.477 2.574 20 0 DFADHO CC[N@@H+]1CC[C@@H](NC[C@@H](C)Oc2ccccc2OC)[C@H](C)C1 ZINC000129569711 196059111 /nfs/dbraw/zinc/05/91/11/196059111.db2.gz LPHKUJVRBUQDGI-BZUAXINKSA-N 1 3 306.450 2.782 20 0 DFADHO CC[N@H+]1CC[C@@H](NC[C@@H](C)Oc2ccccc2OC)[C@H](C)C1 ZINC000129569711 196059114 /nfs/dbraw/zinc/05/91/14/196059114.db2.gz LPHKUJVRBUQDGI-BZUAXINKSA-N 1 3 306.450 2.782 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131423675 196168239 /nfs/dbraw/zinc/16/82/39/196168239.db2.gz YSOWXJAAVPVKEH-BFYDXBDKSA-N 1 3 302.466 2.500 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(N2CCOC2=O)c1 ZINC000132103498 196226928 /nfs/dbraw/zinc/22/69/28/196226928.db2.gz ZXZFCNLYZATNEV-AWEZNQCLSA-N 1 3 319.449 2.882 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1(C)CC1 ZINC000132774139 196282662 /nfs/dbraw/zinc/28/26/62/196282662.db2.gz LKWWYAQXEYFNJO-OAHLLOKOSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@@H](CSC(C)(C)C)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132958164 196299267 /nfs/dbraw/zinc/29/92/67/196299267.db2.gz JKDNDHAYMFYSPT-LSDHHAIUSA-N 1 3 314.539 2.997 20 0 DFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(F)c1 ZINC000133090967 196310845 /nfs/dbraw/zinc/31/08/45/196310845.db2.gz FEHNJTWVTSABNZ-LSDHHAIUSA-N 1 3 306.425 2.977 20 0 DFADHO CN(C)C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000667852544 543692556 /nfs/dbraw/zinc/69/25/56/543692556.db2.gz NHSVBQYRRMBVEU-GOSISDBHSA-N 1 3 324.428 2.714 20 0 DFADHO CN1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)(N2CCCCC2)CC1 ZINC000667879763 543696906 /nfs/dbraw/zinc/69/69/06/543696906.db2.gz AHVREOQPZSIRBK-FGTMMUONSA-N 1 3 305.510 2.715 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667961945 543713761 /nfs/dbraw/zinc/71/37/61/543713761.db2.gz BYWKFWWZUNOURA-DQEVTTJGSA-N 1 3 300.446 2.531 20 0 DFADHO CC(C)[C@H](CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668738464 543857097 /nfs/dbraw/zinc/85/70/97/543857097.db2.gz DHUJVBNKFCQVNE-UXHICEINSA-N 1 3 316.489 2.957 20 0 DFADHO CC(C)[C@H](CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668738464 543857099 /nfs/dbraw/zinc/85/70/99/543857099.db2.gz DHUJVBNKFCQVNE-UXHICEINSA-N 1 3 316.489 2.957 20 0 DFADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000366866707 287385793 /nfs/dbraw/zinc/38/57/93/287385793.db2.gz RUDHPQPHYFVOPH-IAGOWNOFSA-N 1 3 321.509 2.584 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000671309020 544066834 /nfs/dbraw/zinc/06/68/34/544066834.db2.gz GDUPGUBRDSBKKK-MOPGFXCFSA-N 1 3 318.461 2.770 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000671309020 544066838 /nfs/dbraw/zinc/06/68/38/544066838.db2.gz GDUPGUBRDSBKKK-MOPGFXCFSA-N 1 3 318.461 2.770 20 0 DFADHO COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000671109049 544055954 /nfs/dbraw/zinc/05/59/54/544055954.db2.gz UWXNYZZAGJTGEY-FUHWJXTLSA-N 1 3 304.478 2.954 20 0 DFADHO C[N@@H+]1CC[C@H](NCCN2CCCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000671743972 544104954 /nfs/dbraw/zinc/10/49/54/544104954.db2.gz KAVARJIRPOMHFU-HBFSDRIKSA-N 1 3 313.489 2.902 20 0 DFADHO C[N@H+]1CC[C@H](NCCN2CCCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000671743972 544104956 /nfs/dbraw/zinc/10/49/56/544104956.db2.gz KAVARJIRPOMHFU-HBFSDRIKSA-N 1 3 313.489 2.902 20 0 DFADHO C[C@@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCC[C@@H]1O ZINC000297322975 227006603 /nfs/dbraw/zinc/00/66/03/227006603.db2.gz CKQGJRRFLNAALX-ROUUACIJSA-N 1 3 303.450 2.581 20 0 DFADHO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000672615550 544143333 /nfs/dbraw/zinc/14/33/33/544143333.db2.gz IDNJUAQLKJTLHN-RDJZCZTQSA-N 1 3 308.466 2.542 20 0 DFADHO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000672615549 544143461 /nfs/dbraw/zinc/14/34/61/544143461.db2.gz IDNJUAQLKJTLHN-NVXWUHKLSA-N 1 3 308.466 2.542 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](CO)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000672619132 544143755 /nfs/dbraw/zinc/14/37/55/544143755.db2.gz JEJNDFSKGJAWDO-UNEWFSDZSA-N 1 3 310.869 2.736 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](CO)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000672619132 544143756 /nfs/dbraw/zinc/14/37/56/544143756.db2.gz JEJNDFSKGJAWDO-UNEWFSDZSA-N 1 3 310.869 2.736 20 0 DFADHO C[NH+](C)[C@H]1CCCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000297364877 227070803 /nfs/dbraw/zinc/07/08/03/227070803.db2.gz GBLCUMWIIFHJSO-RBUKOAKNSA-N 1 3 301.478 2.677 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000673716201 544193491 /nfs/dbraw/zinc/19/34/91/544193491.db2.gz SCNQIQBNJGUHES-LPHOPBHVSA-N 1 3 320.477 2.874 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000673716201 544193494 /nfs/dbraw/zinc/19/34/94/544193494.db2.gz SCNQIQBNJGUHES-LPHOPBHVSA-N 1 3 320.477 2.874 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000673716192 544193699 /nfs/dbraw/zinc/19/36/99/544193699.db2.gz SCNQIQBNJGUHES-APWZRJJASA-N 1 3 320.477 2.874 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000673716192 544193701 /nfs/dbraw/zinc/19/37/01/544193701.db2.gz SCNQIQBNJGUHES-APWZRJJASA-N 1 3 320.477 2.874 20 0 DFADHO COc1ccc(F)cc1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000291066797 222110143 /nfs/dbraw/zinc/11/01/43/222110143.db2.gz QLJMTRBDUNXICI-HNNXBMFYSA-N 1 3 306.425 2.998 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2ccccc2C2CC2)CC1 ZINC000675487181 544315606 /nfs/dbraw/zinc/31/56/06/544315606.db2.gz WKINJCSLGYQBTI-UHFFFAOYSA-N 1 3 302.462 2.889 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCN1CCC2(CCCCC2)CC1 ZINC000442868238 297208881 /nfs/dbraw/zinc/20/88/81/297208881.db2.gz NJBLSFFJORPTCV-QZTJIDSGSA-N 1 3 307.526 2.963 20 0 DFADHO CCc1cc(N2CCN(C(C)(C)CO)CC2)c2ccccc2[nH+]1 ZINC000676878172 544410990 /nfs/dbraw/zinc/41/09/90/544410990.db2.gz OPDFHSRVWFNFEG-UHFFFAOYSA-N 1 3 313.445 2.690 20 0 DFADHO C[C@@H](CCc1ccccc1)C[NH2+]CCCN1CCCN(C)CC1 ZINC000678954533 544756183 /nfs/dbraw/zinc/75/61/83/544756183.db2.gz FPOFUOJJIPZENU-IBGZPJMESA-N 1 3 317.521 2.873 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCc3nccn3C2)CC1 ZINC000679025429 544769895 /nfs/dbraw/zinc/76/98/95/544769895.db2.gz SCMMXQQPRSZFPC-NJAFHUGGSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCc3nccn3C2)CC1 ZINC000679025429 544769899 /nfs/dbraw/zinc/76/98/99/544769899.db2.gz SCMMXQQPRSZFPC-NJAFHUGGSA-N 1 3 316.493 2.831 20 0 DFADHO CCc1nc2ccccc2n1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000679024736 544770294 /nfs/dbraw/zinc/77/02/94/544770294.db2.gz JHBRDHSETVJWNO-JKSUJKDBSA-N 1 3 312.461 2.815 20 0 DFADHO CCc1nc2ccccc2n1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000679024736 544770297 /nfs/dbraw/zinc/77/02/97/544770297.db2.gz JHBRDHSETVJWNO-JKSUJKDBSA-N 1 3 312.461 2.815 20 0 DFADHO CCN1C[C@H]([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000679074965 544779047 /nfs/dbraw/zinc/77/90/47/544779047.db2.gz FVYJFJJNGFSMLA-FCEWJHQRSA-N 1 3 319.493 2.618 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cc1 ZINC000679359349 544841519 /nfs/dbraw/zinc/84/15/19/544841519.db2.gz BQUUDESOYIOEMI-MJGOQNOKSA-N 1 3 320.477 2.610 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cc1 ZINC000679359349 544841522 /nfs/dbraw/zinc/84/15/22/544841522.db2.gz BQUUDESOYIOEMI-MJGOQNOKSA-N 1 3 320.477 2.610 20 0 DFADHO Cc1cccc(N2CCN(CCCC[NH2+]C3CSC3)CC2)c1 ZINC000679625329 544884868 /nfs/dbraw/zinc/88/48/68/544884868.db2.gz SXNPLVGVWXLVRH-UHFFFAOYSA-N 1 3 319.518 2.602 20 0 DFADHO CCN(CC)CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000063678088 425900823 /nfs/dbraw/zinc/90/08/23/425900823.db2.gz MGIZPIFYAONNMM-UHFFFAOYSA-N 1 3 317.477 2.631 20 0 DFADHO COc1ccccc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000067453019 425910885 /nfs/dbraw/zinc/91/08/85/425910885.db2.gz ZLPZGIVXRLCDLN-IYBDPMFKSA-N 1 3 306.450 2.674 20 0 DFADHO CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(C)C ZINC000124603781 425928574 /nfs/dbraw/zinc/92/85/74/425928574.db2.gz RDMBFPZVSKZFNR-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO CCN1CC[C@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000037484256 425848431 /nfs/dbraw/zinc/84/84/31/425848431.db2.gz NZEZAOWJMPKXEA-SNVBAGLBSA-N 1 3 303.269 2.942 20 0 DFADHO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000044277035 425855772 /nfs/dbraw/zinc/85/57/72/425855772.db2.gz QHWZBDKFOVZDJO-AWEZNQCLSA-N 1 3 306.454 2.600 20 0 DFADHO CC(C)N1CCN(CCC[N@H+](C)C[C@@H](C)c2nccs2)CC1 ZINC000192795079 268049223 /nfs/dbraw/zinc/04/92/23/268049223.db2.gz OJARYLRJJKSYIC-MRXNPFEDSA-N 1 3 324.538 2.595 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+](C)C[C@@H](C)c2nccs2)CC1 ZINC000192795079 268049226 /nfs/dbraw/zinc/04/92/26/268049226.db2.gz OJARYLRJJKSYIC-MRXNPFEDSA-N 1 3 324.538 2.595 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000237060541 268153698 /nfs/dbraw/zinc/15/36/98/268153698.db2.gz FQIKOSSGGUSLQO-IRXDYDNUSA-N 1 3 303.450 2.984 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000268801733 268186398 /nfs/dbraw/zinc/18/63/98/268186398.db2.gz DKUBJHRJNMPKCR-VQIMIIECSA-N 1 3 312.461 2.735 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000268801733 268186399 /nfs/dbraw/zinc/18/63/99/268186399.db2.gz DKUBJHRJNMPKCR-VQIMIIECSA-N 1 3 312.461 2.735 20 0 DFADHO C[C@H]1C[C@H](NCCc2nc(-c3ccncc3)cs2)CC[N@@H+]1C ZINC000271520298 268249640 /nfs/dbraw/zinc/24/96/40/268249640.db2.gz QDGHUNVNTCRRRE-DZGCQCFKSA-N 1 3 316.474 2.820 20 0 DFADHO C[C@H]1C[C@H](NCCc2nc(-c3ccncc3)cs2)CC[N@H+]1C ZINC000271520298 268249643 /nfs/dbraw/zinc/24/96/43/268249643.db2.gz QDGHUNVNTCRRRE-DZGCQCFKSA-N 1 3 316.474 2.820 20 0 DFADHO CN1CCN(CC[NH2+]C2CC(c3cccc(F)c3)C2)CC1(C)C ZINC000282432024 268271898 /nfs/dbraw/zinc/27/18/98/268271898.db2.gz TYNHEMAXJMGTST-UHFFFAOYSA-N 1 3 319.468 2.687 20 0 DFADHO C[C@@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)CN(C)C ZINC000309748021 268336050 /nfs/dbraw/zinc/33/60/50/268336050.db2.gz YJJVCYIFWOIBDP-NFOMZHRRSA-N 1 3 313.486 2.610 20 0 DFADHO C[C@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000309854210 268336089 /nfs/dbraw/zinc/33/60/89/268336089.db2.gz KMWUBVSRFKPTDY-CQSZACIVSA-N 1 3 313.486 2.611 20 0 DFADHO C[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CN1CCCC1 ZINC000309854210 268336090 /nfs/dbraw/zinc/33/60/90/268336090.db2.gz KMWUBVSRFKPTDY-CQSZACIVSA-N 1 3 313.486 2.611 20 0 DFADHO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)CCN1CC[NH2+]CC1 ZINC000071148912 425982586 /nfs/dbraw/zinc/98/25/86/425982586.db2.gz OEZLEVRGEIUAGX-GFCCVEGCSA-N 1 3 316.276 2.891 20 0 DFADHO CC(C)Oc1ccc([C@@H](O)CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000125366666 425968702 /nfs/dbraw/zinc/96/87/02/425968702.db2.gz FATWSBOYLLBNSH-ZVZYQTTQSA-N 1 3 306.450 2.580 20 0 DFADHO CC(C)Oc1ccc([C@@H](O)CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000125366666 425968705 /nfs/dbraw/zinc/96/87/05/425968705.db2.gz FATWSBOYLLBNSH-ZVZYQTTQSA-N 1 3 306.450 2.580 20 0 DFADHO c1csc(CN2CCC(C[NH2+]CC3=CCCOC3)CC2)c1 ZINC000126886399 426040653 /nfs/dbraw/zinc/04/06/53/426040653.db2.gz QJHCYADTDYPKEN-UHFFFAOYSA-N 1 3 306.475 2.896 20 0 DFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000111420883 426050520 /nfs/dbraw/zinc/05/05/20/426050520.db2.gz UUGZRJBFTKRDPZ-KRWDZBQOSA-N 1 3 318.465 2.744 20 0 DFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000111420883 426050523 /nfs/dbraw/zinc/05/05/23/426050523.db2.gz UUGZRJBFTKRDPZ-KRWDZBQOSA-N 1 3 318.465 2.744 20 0 DFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000075334740 426070740 /nfs/dbraw/zinc/07/07/40/426070740.db2.gz FLXQGLINPZIEMJ-KRWDZBQOSA-N 1 3 317.477 2.552 20 0 DFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000075334740 426070742 /nfs/dbraw/zinc/07/07/42/426070742.db2.gz FLXQGLINPZIEMJ-KRWDZBQOSA-N 1 3 317.477 2.552 20 0 DFADHO CCCN1CCC([NH2+][C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000126326572 426015699 /nfs/dbraw/zinc/01/56/99/426015699.db2.gz FTEAMVZNFOZNKV-KRWDZBQOSA-N 1 3 303.494 2.971 20 0 DFADHO CCC[NH+]1CCC(N[C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000126326572 426015703 /nfs/dbraw/zinc/01/57/03/426015703.db2.gz FTEAMVZNFOZNKV-KRWDZBQOSA-N 1 3 303.494 2.971 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(OC)c1 ZINC000128276181 426109820 /nfs/dbraw/zinc/10/98/20/426109820.db2.gz ZABGPQAZVDAIFP-IBGZPJMESA-N 1 3 319.493 2.764 20 0 DFADHO C[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000163830740 426109769 /nfs/dbraw/zinc/10/97/69/426109769.db2.gz JIRWXQQJIQEBMX-GJZGRUSLSA-N 1 3 316.449 2.772 20 0 DFADHO CC[C@@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000163933636 426110190 /nfs/dbraw/zinc/11/01/90/426110190.db2.gz DLBIXDOUMKNGKQ-GOSISDBHSA-N 1 3 303.494 2.973 20 0 DFADHO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000128343900 426113172 /nfs/dbraw/zinc/11/31/72/426113172.db2.gz ZADWXJSPWVYYHW-QFBILLFUSA-N 1 3 301.478 2.537 20 0 DFADHO CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCCN3)cc2)CC1 ZINC000164560826 426115008 /nfs/dbraw/zinc/11/50/08/426115008.db2.gz WBBLBAHYLLNWPD-SFHVURJKSA-N 1 3 315.461 2.999 20 0 DFADHO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)c(C)c1 ZINC000128498300 426120630 /nfs/dbraw/zinc/12/06/30/426120630.db2.gz DOQJAPVHZNBIEL-GOSISDBHSA-N 1 3 303.494 2.982 20 0 DFADHO CC(C)[NH2+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000165895795 426124572 /nfs/dbraw/zinc/12/45/72/426124572.db2.gz UCXMMVMGINYUCP-SFHVURJKSA-N 1 3 317.477 2.545 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000165968110 426124684 /nfs/dbraw/zinc/12/46/84/426124684.db2.gz KEVYACBVXFBXDU-ZFWWWQNUSA-N 1 3 312.429 2.842 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000166056891 426125677 /nfs/dbraw/zinc/12/56/77/426125677.db2.gz HMEXEPINKGMRRU-GXTWGEPZSA-N 1 3 300.393 2.972 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3ccc(C)cc32)CC1 ZINC000166145543 426125822 /nfs/dbraw/zinc/12/58/22/426125822.db2.gz JJCJBXZNLSXWEG-HXUWFJFHSA-N 1 3 315.505 2.990 20 0 DFADHO C[C@H](CCc1ccc(F)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128679206 426129304 /nfs/dbraw/zinc/12/93/04/426129304.db2.gz VWGFWUZQAJIMJB-QGZVFWFLSA-N 1 3 321.484 2.764 20 0 DFADHO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000128720546 426130384 /nfs/dbraw/zinc/13/03/84/426130384.db2.gz ATSNCFSQZYBDEL-KXBFYZLASA-N 1 3 319.468 2.676 20 0 DFADHO CC(C)C[C@H](N)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000167617955 426133590 /nfs/dbraw/zinc/13/35/90/426133590.db2.gz WVZBEXQSCXCSCE-ZBFHGGJFSA-N 1 3 305.466 2.605 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2OCCOC)[C@H](C)C1 ZINC000167630684 426133611 /nfs/dbraw/zinc/13/36/11/426133611.db2.gz BHTGLRTYQIMCIF-AEFFLSMTSA-N 1 3 320.477 2.840 20 0 DFADHO C[C@H]([NH2+]CCc1cccnc1)c1cccc(OCCN(C)C)c1 ZINC000133482074 426179033 /nfs/dbraw/zinc/17/90/33/426179033.db2.gz JSNROONMVUKKAD-INIZCTEOSA-N 1 3 313.445 2.915 20 0 DFADHO COc1ccc(OCCCN(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000118841505 426248727 /nfs/dbraw/zinc/24/87/27/426248727.db2.gz WMLWADQUONLZAV-INIZCTEOSA-N 1 3 306.450 2.738 20 0 DFADHO COc1ccc(OCCCN(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000118841505 426248729 /nfs/dbraw/zinc/24/87/29/426248729.db2.gz WMLWADQUONLZAV-INIZCTEOSA-N 1 3 306.450 2.738 20 0 DFADHO CC(C)[C@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N1CCCCC1 ZINC000085290348 426250151 /nfs/dbraw/zinc/25/01/51/426250151.db2.gz WNOIJCZERORYKP-HZPDHXFCSA-N 1 3 311.514 2.589 20 0 DFADHO C(C[NH2+]C1CCN(C2CCCCC2)CC1)CO[C@@H]1CCOC1 ZINC000119027786 426256435 /nfs/dbraw/zinc/25/64/35/426256435.db2.gz MJZNXCSPFLFOLB-GOSISDBHSA-N 1 3 310.482 2.569 20 0 DFADHO C(CNC1CC[NH+](C2CCCCC2)CC1)CO[C@@H]1CCOC1 ZINC000119027786 426256439 /nfs/dbraw/zinc/25/64/39/426256439.db2.gz MJZNXCSPFLFOLB-GOSISDBHSA-N 1 3 310.482 2.569 20 0 DFADHO C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCCCCC1 ZINC000150744468 426260941 /nfs/dbraw/zinc/26/09/41/426260941.db2.gz FIGDSVLJJFHILL-ZWKOTPCHSA-N 1 3 321.509 2.728 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000119439170 426288786 /nfs/dbraw/zinc/28/87/86/426288786.db2.gz RCZXYQHPGJHMHH-GOSISDBHSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)N1CCCCCC1 ZINC000175216452 426288802 /nfs/dbraw/zinc/28/88/02/426288802.db2.gz VTUCUGLRRKEDIT-MRXNPFEDSA-N 1 3 317.477 2.629 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000119439170 426288790 /nfs/dbraw/zinc/28/87/90/426288790.db2.gz RCZXYQHPGJHMHH-GOSISDBHSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc2c(c1)CCC2 ZINC000151361053 426291449 /nfs/dbraw/zinc/29/14/49/426291449.db2.gz LTXCDZBLZURWDM-OAHLLOKOSA-N 1 3 302.462 2.673 20 0 DFADHO N[C@@H](CC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000119544444 426295548 /nfs/dbraw/zinc/29/55/48/426295548.db2.gz UDUFXGAKWDJMLP-ROUUACIJSA-N 1 3 315.461 2.553 20 0 DFADHO CN1CC[C@@H](C[N@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000120979207 426317621 /nfs/dbraw/zinc/31/76/21/426317621.db2.gz NHKLKGBBSGAJMY-MJGOQNOKSA-N 1 3 318.461 2.628 20 0 DFADHO CN1CC[C@@H](C[N@@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000120979207 426317623 /nfs/dbraw/zinc/31/76/23/426317623.db2.gz NHKLKGBBSGAJMY-MJGOQNOKSA-N 1 3 318.461 2.628 20 0 DFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccccc2OC)CC1 ZINC000121213873 426326336 /nfs/dbraw/zinc/32/63/36/426326336.db2.gz YJBAUZDIIFDWEP-DLBZAZTESA-N 1 3 319.493 2.619 20 0 DFADHO CCN(CC)C(=O)C[C@@H](C)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000090585187 426329265 /nfs/dbraw/zinc/32/92/65/426329265.db2.gz NVRRXPYLBQOPSF-SJORKVTESA-N 1 3 311.514 2.591 20 0 DFADHO CCN(CC)C(=O)C[C@@H](C)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585187 426329267 /nfs/dbraw/zinc/32/92/67/426329267.db2.gz NVRRXPYLBQOPSF-SJORKVTESA-N 1 3 311.514 2.591 20 0 DFADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000090585187 426329271 /nfs/dbraw/zinc/32/92/71/426329271.db2.gz NVRRXPYLBQOPSF-SJORKVTESA-N 1 3 311.514 2.591 20 0 DFADHO COC[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C1CC1 ZINC000090717390 426331366 /nfs/dbraw/zinc/33/13/66/426331366.db2.gz MEMXKUMRWSVJPH-KBXCAEBGSA-N 1 3 306.450 2.703 20 0 DFADHO C[C@H]([NH2+]CCCn1ccnc1)c1ccc(OCCN(C)C)cc1 ZINC000151109880 426278324 /nfs/dbraw/zinc/27/83/24/426278324.db2.gz WMHQUSHUIISVAG-INIZCTEOSA-N 1 3 316.449 2.564 20 0 DFADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000151140125 426281140 /nfs/dbraw/zinc/28/11/40/426281140.db2.gz XXEUJFPPZGLXAC-HOTGVXAUSA-N 1 3 313.449 2.650 20 0 DFADHO CCN1CC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@H](C)C1 ZINC000089215575 426283048 /nfs/dbraw/zinc/28/30/48/426283048.db2.gz CXQYCXXTEUXKST-APWZRJJASA-N 1 3 316.493 2.618 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000153652324 426397800 /nfs/dbraw/zinc/39/78/00/426397800.db2.gz WHQOIFBNODZXPS-CPUCHLNUSA-N 1 3 316.424 2.830 20 0 DFADHO CC[C@@H]1CN(CCC(=O)Nc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000122902400 426401729 /nfs/dbraw/zinc/40/17/29/426401729.db2.gz WKBNPGFBEJZMNT-DOMZBBRYSA-N 1 3 309.841 2.728 20 0 DFADHO CC[C@H]([NH2+]CCCN(C)CCOC)c1cc(F)ccc1F ZINC000153747053 426403235 /nfs/dbraw/zinc/40/32/35/426403235.db2.gz KPLLETJYUCRJAY-INIZCTEOSA-N 1 3 300.393 2.974 20 0 DFADHO CC(C)N1CC[C@@H](N2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000122158506 426361400 /nfs/dbraw/zinc/36/14/00/426361400.db2.gz HCBSQSNMKCPUSC-GOSISDBHSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000122160099 426362334 /nfs/dbraw/zinc/36/23/34/426362334.db2.gz OANSUNDQWSSHDC-CRAIPNDOSA-N 1 3 315.461 2.624 20 0 DFADHO O=[N+]([O-])c1ccc(CCNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000123158161 426417863 /nfs/dbraw/zinc/41/78/63/426417863.db2.gz ZEYNOVOGDXAAAS-UHFFFAOYSA-N 1 3 303.406 2.601 20 0 DFADHO C[C@@H](NC1CC[NH+](CCc2ccncc2)CC1)c1ccncc1 ZINC000154142331 426427373 /nfs/dbraw/zinc/42/73/73/426427373.db2.gz IWKHWULTCUMXTI-MRXNPFEDSA-N 1 3 310.445 2.834 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000154225712 426431347 /nfs/dbraw/zinc/43/13/47/426431347.db2.gz YVCIJRXPALKBAB-GOSISDBHSA-N 1 3 317.521 2.970 20 0 DFADHO CC(C)CCn1cccc1CNCCN1CCC([NH+](C)C)CC1 ZINC000176989303 426431426 /nfs/dbraw/zinc/43/14/26/426431426.db2.gz BWOSEFPAGSRTQV-UHFFFAOYSA-N 1 3 320.525 2.650 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(C)c2C)CC1 ZINC000154239297 426431896 /nfs/dbraw/zinc/43/18/96/426431896.db2.gz KEJVCFRYDNPCHX-GOSISDBHSA-N 1 3 303.494 2.982 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000154266030 426433969 /nfs/dbraw/zinc/43/39/69/426433969.db2.gz QZWUQYUPSYPQBZ-QGZVFWFLSA-N 1 3 319.493 2.682 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCCCC1 ZINC000341000024 269035789 /nfs/dbraw/zinc/03/57/89/269035789.db2.gz HIABYDDTUOPNIC-ZWKOTPCHSA-N 1 3 321.509 2.584 20 0 DFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](CO)C1 ZINC000154614664 426448204 /nfs/dbraw/zinc/44/82/04/426448204.db2.gz WXRMERKOWGFSNR-SFHVURJKSA-N 1 3 304.478 2.849 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](CO)C1 ZINC000154614664 426448207 /nfs/dbraw/zinc/44/82/07/426448207.db2.gz WXRMERKOWGFSNR-SFHVURJKSA-N 1 3 304.478 2.849 20 0 DFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)C3CC3)cc2)CC1 ZINC000177223695 426456781 /nfs/dbraw/zinc/45/67/81/426456781.db2.gz WMLHGFYDJKWDHM-MRXNPFEDSA-N 1 3 301.478 2.712 20 0 DFADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177431477 426478332 /nfs/dbraw/zinc/47/83/32/426478332.db2.gz YKQZMZRIUVNITA-GOSISDBHSA-N 1 3 321.509 2.773 20 0 DFADHO C[C@@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101626964 426485336 /nfs/dbraw/zinc/48/53/36/426485336.db2.gz YODAJMXZMTXYQS-DFGXFYAUSA-N 1 3 317.477 2.667 20 0 DFADHO C[C@@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101626964 426485337 /nfs/dbraw/zinc/48/53/37/426485337.db2.gz YODAJMXZMTXYQS-DFGXFYAUSA-N 1 3 317.477 2.667 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000101650328 426485514 /nfs/dbraw/zinc/48/55/14/426485514.db2.gz FYRHEWGNXQEUKZ-INIZCTEOSA-N 1 3 319.493 2.989 20 0 DFADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1cnn(C)c1 ZINC000272392646 426515037 /nfs/dbraw/zinc/51/50/37/426515037.db2.gz YCOUZKAIWSPOPQ-XYJFISCASA-N 1 3 312.461 2.981 20 0 DFADHO C[C@@H]1OCC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272456122 426528969 /nfs/dbraw/zinc/52/89/69/426528969.db2.gz XCNQNKFNMJDUGX-BHNDVYRESA-N 1 3 300.446 2.949 20 0 DFADHO C[C@@H]1OCC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272456122 426528972 /nfs/dbraw/zinc/52/89/72/426528972.db2.gz XCNQNKFNMJDUGX-BHNDVYRESA-N 1 3 300.446 2.949 20 0 DFADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)c2ccccc2F)CC1 ZINC000264309062 426531577 /nfs/dbraw/zinc/53/15/77/426531577.db2.gz ZJDQJWVGWJQQFK-CABCVRRESA-N 1 3 308.441 2.911 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000177488591 426488927 /nfs/dbraw/zinc/48/89/27/426488927.db2.gz ANEAPTVAYOFASP-LMMKCTJWSA-N 1 3 324.509 2.767 20 0 DFADHO COCCCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177494145 426490056 /nfs/dbraw/zinc/49/00/56/426490056.db2.gz MNWKYKQYKVGXLG-IRXDYDNUSA-N 1 3 312.498 2.624 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000289153757 426593272 /nfs/dbraw/zinc/59/32/72/426593272.db2.gz GOFVIPLCVRJKTF-APWZRJJASA-N 1 3 301.478 2.852 20 0 DFADHO COc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1C ZINC000273119201 426596756 /nfs/dbraw/zinc/59/67/56/426596756.db2.gz XSVJCIOPYDGQQW-HNNXBMFYSA-N 1 3 306.450 2.501 20 0 DFADHO CN(C)C/C=C/C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000265589887 426658543 /nfs/dbraw/zinc/65/85/43/426658543.db2.gz AMLCTGVLLYZTMK-VOTSOKGWSA-N 1 3 315.461 2.771 20 0 DFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3(N)CCCCC3)C2)CC1 ZINC000236624390 426666521 /nfs/dbraw/zinc/66/65/21/426666521.db2.gz NNXYBZRKPOULAG-KRWDZBQOSA-N 1 3 321.509 2.619 20 0 DFADHO CCCC[C@H](N)C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000236804989 426687372 /nfs/dbraw/zinc/68/73/72/426687372.db2.gz KYQLCTYKHGHUJE-DLBZAZTESA-N 1 3 305.466 2.703 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000236767555 426684266 /nfs/dbraw/zinc/68/42/66/426684266.db2.gz HJUCYKGXPIEWDX-SFHVURJKSA-N 1 3 317.477 2.662 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000178412180 426624212 /nfs/dbraw/zinc/62/42/12/426624212.db2.gz SWTJNJWYFKYETN-OAHLLOKOSA-N 1 3 317.433 2.780 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000178414462 426624821 /nfs/dbraw/zinc/62/48/21/426624821.db2.gz PBXNZFMFEPSEFS-INIZCTEOSA-N 1 3 315.461 2.950 20 0 DFADHO COC(=O)c1ccccc1CC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000187086079 426629372 /nfs/dbraw/zinc/62/93/72/426629372.db2.gz LEBLWQVQWCFBED-KRWDZBQOSA-N 1 3 318.461 2.822 20 0 DFADHO COC(=O)c1ccccc1CC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000187086079 426629374 /nfs/dbraw/zinc/62/93/74/426629374.db2.gz LEBLWQVQWCFBED-KRWDZBQOSA-N 1 3 318.461 2.822 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000178829423 426703958 /nfs/dbraw/zinc/70/39/58/426703958.db2.gz AQGHLZZXSGASOA-XYJFISCASA-N 1 3 315.461 2.916 20 0 DFADHO C[C@@H]1C[C@@H](NCCN2CCc3c(Cl)cccc3C2)CC[N@@H+]1C ZINC000187998171 426714049 /nfs/dbraw/zinc/71/40/49/426714049.db2.gz ZQFOZLNKWLNPTI-ZBFHGGJFSA-N 1 3 321.896 2.770 20 0 DFADHO C[C@@H]1C[C@@H](NCCN2CCc3c(Cl)cccc3C2)CC[N@H+]1C ZINC000187998171 426714052 /nfs/dbraw/zinc/71/40/52/426714052.db2.gz ZQFOZLNKWLNPTI-ZBFHGGJFSA-N 1 3 321.896 2.770 20 0 DFADHO C[C@@H]([NH2+]CCN1CC=CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000280950701 426692615 /nfs/dbraw/zinc/69/26/15/426692615.db2.gz JRKXKTANFHKBBB-QUCCMNQESA-N 1 3 313.489 2.749 20 0 DFADHO C[C@@H](NCCN1CC=CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280950701 426692619 /nfs/dbraw/zinc/69/26/19/426692619.db2.gz JRKXKTANFHKBBB-QUCCMNQESA-N 1 3 313.489 2.749 20 0 DFADHO C[C@@H](NCCN1CC=CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280950701 426692621 /nfs/dbraw/zinc/69/26/21/426692621.db2.gz JRKXKTANFHKBBB-QUCCMNQESA-N 1 3 313.489 2.749 20 0 DFADHO COCCOCc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290494703 426777886 /nfs/dbraw/zinc/77/78/86/426777886.db2.gz OTGDUJUTXDXNAM-VQIMIIECSA-N 1 3 320.477 2.622 20 0 DFADHO COCCOCc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290494703 426777890 /nfs/dbraw/zinc/77/78/90/426777890.db2.gz OTGDUJUTXDXNAM-VQIMIIECSA-N 1 3 320.477 2.622 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCN[C@H](c2nccn2C)C2CC2)C1 ZINC000245902844 426780652 /nfs/dbraw/zinc/78/06/52/426780652.db2.gz SNLWFDNAXCSGLF-RDJZCZTQSA-N 1 3 304.482 2.973 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCN[C@H](c2nccn2C)C2CC2)C1 ZINC000245902844 426780656 /nfs/dbraw/zinc/78/06/56/426780656.db2.gz SNLWFDNAXCSGLF-RDJZCZTQSA-N 1 3 304.482 2.973 20 0 DFADHO Cc1ccc2nc(CN3CC[C@H](C4CC[NH+](C)CC4)C3)cn2c1 ZINC000290301453 426736440 /nfs/dbraw/zinc/73/64/40/426736440.db2.gz BIXQVYSGDCHQMV-KRWDZBQOSA-N 1 3 312.461 2.806 20 0 DFADHO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000188275407 426738203 /nfs/dbraw/zinc/73/82/03/426738203.db2.gz BRAASBWTQHSMHM-OALUTQOASA-N 1 3 300.446 2.664 20 0 DFADHO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000188275407 426738207 /nfs/dbraw/zinc/73/82/07/426738207.db2.gz BRAASBWTQHSMHM-OALUTQOASA-N 1 3 300.446 2.664 20 0 DFADHO COc1cccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1OC ZINC000290345340 426747560 /nfs/dbraw/zinc/74/75/60/426747560.db2.gz FUAKSNYJHMDYGX-MRXNPFEDSA-N 1 3 318.461 2.868 20 0 DFADHO COCc1cccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000290429517 426762272 /nfs/dbraw/zinc/76/22/72/426762272.db2.gz LFFQUBVZGIBALM-IBGZPJMESA-N 1 3 302.462 2.997 20 0 DFADHO COCc1cccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000290429517 426762276 /nfs/dbraw/zinc/76/22/76/426762276.db2.gz LFFQUBVZGIBALM-IBGZPJMESA-N 1 3 302.462 2.997 20 0 DFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000246240482 426812304 /nfs/dbraw/zinc/81/23/04/426812304.db2.gz IUHAUMOJDMYVJW-LTIDMASMSA-N 1 3 309.498 2.521 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)ccn1 ZINC000282017360 426813762 /nfs/dbraw/zinc/81/37/62/426813762.db2.gz DVNBDWNGTWMUID-LZLYRXPVSA-N 1 3 303.450 2.690 20 0 DFADHO C[C@@H](c1ccccn1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000267079260 426820725 /nfs/dbraw/zinc/82/07/25/426820725.db2.gz QKFJJANUJANYHE-ZACQAIPSSA-N 1 3 317.477 2.964 20 0 DFADHO COc1cccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000290724980 426826212 /nfs/dbraw/zinc/82/62/12/426826212.db2.gz OXHDMWFKEFCFRW-SJORKVTESA-N 1 3 300.446 2.943 20 0 DFADHO COc1cccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000290724980 426826215 /nfs/dbraw/zinc/82/62/15/426826215.db2.gz OXHDMWFKEFCFRW-SJORKVTESA-N 1 3 300.446 2.943 20 0 DFADHO COc1cccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000290724955 426826969 /nfs/dbraw/zinc/82/69/69/426826969.db2.gz OXHDMWFKEFCFRW-DLBZAZTESA-N 1 3 300.446 2.943 20 0 DFADHO COc1cccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000290724955 426826972 /nfs/dbraw/zinc/82/69/72/426826972.db2.gz OXHDMWFKEFCFRW-DLBZAZTESA-N 1 3 300.446 2.943 20 0 DFADHO COc1cccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000290724962 426827068 /nfs/dbraw/zinc/82/70/68/426827068.db2.gz OXHDMWFKEFCFRW-IAGOWNOFSA-N 1 3 300.446 2.943 20 0 DFADHO COc1cccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000290724962 426827071 /nfs/dbraw/zinc/82/70/71/426827071.db2.gz OXHDMWFKEFCFRW-IAGOWNOFSA-N 1 3 300.446 2.943 20 0 DFADHO CC(C)[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180148821 426838017 /nfs/dbraw/zinc/83/80/17/426838017.db2.gz QUJGJYCYXJYEOA-IPQPSQTFSA-N 1 3 302.462 2.789 20 0 DFADHO CC(C)[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180148821 426838019 /nfs/dbraw/zinc/83/80/19/426838019.db2.gz QUJGJYCYXJYEOA-IPQPSQTFSA-N 1 3 302.462 2.789 20 0 DFADHO CC(C)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000282194027 426850421 /nfs/dbraw/zinc/85/04/21/426850421.db2.gz GKIVFIOLYBPWLU-GOSISDBHSA-N 1 3 303.494 2.999 20 0 DFADHO CN1CCN(CC[NH2+]CCSCc2ccccc2)CC1(C)C ZINC000282237868 426859974 /nfs/dbraw/zinc/85/99/74/426859974.db2.gz IXKIDGGSSUQSDV-UHFFFAOYSA-N 1 3 321.534 2.535 20 0 DFADHO Cc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1C ZINC000282243965 426862353 /nfs/dbraw/zinc/86/23/53/426862353.db2.gz JENNUVKSNWTKNB-QGZVFWFLSA-N 1 3 303.494 2.980 20 0 DFADHO CCN(CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246982246 426886631 /nfs/dbraw/zinc/88/66/31/426886631.db2.gz KCJPFXZQVVQVGK-RBSFLKMASA-N 1 3 313.486 2.562 20 0 DFADHO CCN(CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246982246 426886640 /nfs/dbraw/zinc/88/66/40/426886640.db2.gz KCJPFXZQVVQVGK-RBSFLKMASA-N 1 3 313.486 2.562 20 0 DFADHO COC(CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)OC ZINC000291454881 426886709 /nfs/dbraw/zinc/88/67/09/426886709.db2.gz MOAWZAPKAHLEOZ-UHFFFAOYSA-N 1 3 318.461 2.593 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCN[C@H]2CCCc3c2cnn3C)C1 ZINC000247140696 426906797 /nfs/dbraw/zinc/90/67/97/426906797.db2.gz SHULJKMBWNCRDH-WBVHZDCISA-N 1 3 304.482 2.899 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCN[C@H]2CCCc3c2cnn3C)C1 ZINC000247140696 426906802 /nfs/dbraw/zinc/90/68/02/426906802.db2.gz SHULJKMBWNCRDH-WBVHZDCISA-N 1 3 304.482 2.899 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(-n2cncn2)cc1 ZINC000247146911 426908154 /nfs/dbraw/zinc/90/81/54/426908154.db2.gz RFQHRFIGCPXMIM-YXJHDRRASA-N 1 3 313.449 2.791 20 0 DFADHO C[NH+](C)CCc1ccccc1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000275919456 426947261 /nfs/dbraw/zinc/94/72/61/426947261.db2.gz UKMNXDDUQDJQIV-SFHVURJKSA-N 1 3 315.461 2.604 20 0 DFADHO COc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000317064272 426955592 /nfs/dbraw/zinc/95/55/92/426955592.db2.gz YRSNSZRSAYXDAA-KZNAEPCWSA-N 1 3 300.446 2.769 20 0 DFADHO COc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000317064272 426955597 /nfs/dbraw/zinc/95/55/97/426955597.db2.gz YRSNSZRSAYXDAA-KZNAEPCWSA-N 1 3 300.446 2.769 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCN3CCC[C@@H]3C1)CC2 ZINC000317064272 426955602 /nfs/dbraw/zinc/95/56/02/426955602.db2.gz YRSNSZRSAYXDAA-KZNAEPCWSA-N 1 3 300.446 2.769 20 0 DFADHO C[C@@H](CNC(=O)[C@H](N)CC1CCCCC1)C[NH+]1CCCCC1 ZINC000318720907 426958923 /nfs/dbraw/zinc/95/89/23/426958923.db2.gz HHAVBENMJLYJRI-DOTOQJQBSA-N 1 3 309.498 2.522 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000319385462 426961854 /nfs/dbraw/zinc/96/18/54/426961854.db2.gz KJETXUPSDCGFDR-PVAVHDDUSA-N 1 3 301.434 2.620 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000319385462 426961861 /nfs/dbraw/zinc/96/18/61/426961861.db2.gz KJETXUPSDCGFDR-PVAVHDDUSA-N 1 3 301.434 2.620 20 0 DFADHO c1coc([C@@H](C[NH2+]C2CCN(C3CC3)CC2)N2CCCC2)c1 ZINC000320109701 426964315 /nfs/dbraw/zinc/96/43/15/426964315.db2.gz GJVHYVKJPGLSJL-QGZVFWFLSA-N 1 3 303.450 2.633 20 0 DFADHO Cc1cncc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000189862420 426966625 /nfs/dbraw/zinc/96/66/25/426966625.db2.gz UBIFJVDPYFYLHJ-CALCHBBNSA-N 1 3 317.477 2.711 20 0 DFADHO Cc1cncc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000189862420 426966629 /nfs/dbraw/zinc/96/66/29/426966629.db2.gz UBIFJVDPYFYLHJ-CALCHBBNSA-N 1 3 317.477 2.711 20 0 DFADHO Cc1nc(C)c([C@@H](C)NCCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000248217542 426986869 /nfs/dbraw/zinc/98/68/69/426986869.db2.gz ZYFHLIZFJYRLBW-DOMZBBRYSA-N 1 3 311.495 2.647 20 0 DFADHO Cc1nc(C)c([C@@H](C)NCCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000248217542 426986876 /nfs/dbraw/zinc/98/68/76/426986876.db2.gz ZYFHLIZFJYRLBW-DOMZBBRYSA-N 1 3 311.495 2.647 20 0 DFADHO CN1CC[C@H](C[N@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000275870919 426935668 /nfs/dbraw/zinc/93/56/68/426935668.db2.gz YBOFFUQEVVTRSN-HNNXBMFYSA-N 1 3 304.434 2.715 20 0 DFADHO CN1CC[C@H](C[N@@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000275870919 426935672 /nfs/dbraw/zinc/93/56/72/426935672.db2.gz YBOFFUQEVVTRSN-HNNXBMFYSA-N 1 3 304.434 2.715 20 0 DFADHO CCC[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC)N(C)C ZINC000337950635 427056118 /nfs/dbraw/zinc/05/61/18/427056118.db2.gz ZXCACDOZWZFEFV-QZTJIDSGSA-N 1 3 319.493 2.916 20 0 DFADHO C[C@H]1C[C@H]1C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268372480 426997742 /nfs/dbraw/zinc/99/77/42/426997742.db2.gz SAHFYHMHOGTGRZ-RDJZCZTQSA-N 1 3 301.478 2.963 20 0 DFADHO CO[C@@H](C)CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268384779 427003991 /nfs/dbraw/zinc/00/39/91/427003991.db2.gz VWGUNCPODPLKIX-INIZCTEOSA-N 1 3 319.493 2.732 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](CCCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000190055888 427011405 /nfs/dbraw/zinc/01/14/05/427011405.db2.gz UZXXOBSNONMZNC-MOPGFXCFSA-N 1 3 314.473 2.970 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000190055888 427011409 /nfs/dbraw/zinc/01/14/09/427011409.db2.gz UZXXOBSNONMZNC-MOPGFXCFSA-N 1 3 314.473 2.970 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(CCCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000190055888 427011413 /nfs/dbraw/zinc/01/14/13/427011413.db2.gz UZXXOBSNONMZNC-MOPGFXCFSA-N 1 3 314.473 2.970 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(CCCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000190055888 427011421 /nfs/dbraw/zinc/01/14/21/427011421.db2.gz UZXXOBSNONMZNC-MOPGFXCFSA-N 1 3 314.473 2.970 20 0 DFADHO C[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[C@@H]1O ZINC000190056703 427011499 /nfs/dbraw/zinc/01/14/99/427011499.db2.gz VXMSVTMMXLLFKO-WMZOPIPTSA-N 1 3 304.478 2.847 20 0 DFADHO C[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1O ZINC000190056703 427011503 /nfs/dbraw/zinc/01/15/03/427011503.db2.gz VXMSVTMMXLLFKO-WMZOPIPTSA-N 1 3 304.478 2.847 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000291933664 427033776 /nfs/dbraw/zinc/03/37/76/427033776.db2.gz CGNXNBTYTIDOFD-GOSISDBHSA-N 1 3 317.477 2.518 20 0 DFADHO C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)[C@H]1CCCN(C2CCC2)C1 ZINC000248864360 427055263 /nfs/dbraw/zinc/05/52/63/427055263.db2.gz ASDGMXONYKJXRZ-OBJOEFQTSA-N 1 3 308.388 2.542 20 0 DFADHO C[C@H](NC[C@@H](O)CC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248864360 427055268 /nfs/dbraw/zinc/05/52/68/427055268.db2.gz ASDGMXONYKJXRZ-OBJOEFQTSA-N 1 3 308.388 2.542 20 0 DFADHO C[C@H](NC[C@@H](O)CC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248864360 427055272 /nfs/dbraw/zinc/05/52/72/427055272.db2.gz ASDGMXONYKJXRZ-OBJOEFQTSA-N 1 3 308.388 2.542 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000338009039 427090100 /nfs/dbraw/zinc/09/01/00/427090100.db2.gz FQGZXNMINWQAEW-AABGKKOBSA-N 1 3 314.473 2.922 20 0 DFADHO NC1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCC1 ZINC000296181873 427102661 /nfs/dbraw/zinc/10/26/61/427102661.db2.gz XUIVZAGZGVDSJT-UHFFFAOYSA-N 1 3 301.434 2.535 20 0 DFADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719828 427103004 /nfs/dbraw/zinc/10/30/04/427103004.db2.gz NYKITJOEFAYQHA-UHOSZYNNSA-N 1 3 301.478 2.581 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719828 427103008 /nfs/dbraw/zinc/10/30/08/427103008.db2.gz NYKITJOEFAYQHA-UHOSZYNNSA-N 1 3 301.478 2.581 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719828 427103016 /nfs/dbraw/zinc/10/30/16/427103016.db2.gz NYKITJOEFAYQHA-UHOSZYNNSA-N 1 3 301.478 2.581 20 0 DFADHO CCN(CC)CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268734915 427107431 /nfs/dbraw/zinc/10/74/31/427107431.db2.gz VHTOMYASTFDZLX-IEBWSBKVSA-N 1 3 303.494 2.828 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000268753931 427108449 /nfs/dbraw/zinc/10/84/49/427108449.db2.gz WOJCLHJEWSYKHF-QUCCMNQESA-N 1 3 315.505 2.973 20 0 DFADHO CC(C)[NH+]1CCC(NCc2ccccc2Cn2ccnc2)CC1 ZINC000268783613 427114107 /nfs/dbraw/zinc/11/41/07/427114107.db2.gz UXXSHQJZOJNYFX-UHFFFAOYSA-N 1 3 312.461 2.894 20 0 DFADHO CC(C)N1CCC([NH2+]Cc2ccccc2Cn2ccnc2)CC1 ZINC000268783613 427114115 /nfs/dbraw/zinc/11/41/15/427114115.db2.gz UXXSHQJZOJNYFX-UHFFFAOYSA-N 1 3 312.461 2.894 20 0 DFADHO C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)N1[C@@H](C)CC[C@@H]1C ZINC000338053577 427116811 /nfs/dbraw/zinc/11/68/11/427116811.db2.gz VFLBQCXLZALHER-QSUVVDIXSA-N 1 3 323.525 2.874 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000268798699 427117875 /nfs/dbraw/zinc/11/78/75/427117875.db2.gz GXHUBFXKPVSOQD-HOTGVXAUSA-N 1 3 317.477 2.675 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000268798699 427117883 /nfs/dbraw/zinc/11/78/83/427117883.db2.gz GXHUBFXKPVSOQD-HOTGVXAUSA-N 1 3 317.477 2.675 20 0 DFADHO COc1ccc2c(c1)CCC[C@H]2NCCC[NH+]1CCC(O)CC1 ZINC000268820652 427127167 /nfs/dbraw/zinc/12/71/67/427127167.db2.gz HJEXQMIAJCWVAH-LJQANCHMSA-N 1 3 318.461 2.509 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000268828872 427131519 /nfs/dbraw/zinc/13/15/19/427131519.db2.gz ZZYSDKHVUJMBHN-WBVHZDCISA-N 1 3 306.450 2.532 20 0 DFADHO C[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000338082809 427133926 /nfs/dbraw/zinc/13/39/26/427133926.db2.gz BPZZEQAHCIYSDO-BZUAXINKSA-N 1 3 309.498 2.628 20 0 DFADHO C[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000338082809 427133927 /nfs/dbraw/zinc/13/39/27/427133927.db2.gz BPZZEQAHCIYSDO-BZUAXINKSA-N 1 3 309.498 2.628 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000268842728 427135544 /nfs/dbraw/zinc/13/55/44/427135544.db2.gz WDRSVBCIXPHSQQ-MRXNPFEDSA-N 1 3 317.477 2.677 20 0 DFADHO C[N@@H+]1CC[C@@]2(CCN(C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220659 427136471 /nfs/dbraw/zinc/13/64/71/427136471.db2.gz UWLVGXHKBJTFNP-NHCUHLMSSA-N 1 3 324.468 2.771 20 0 DFADHO C[N@H+]1CC[C@@]2(CCN(C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220659 427136477 /nfs/dbraw/zinc/13/64/77/427136477.db2.gz UWLVGXHKBJTFNP-NHCUHLMSSA-N 1 3 324.468 2.771 20 0 DFADHO CN(C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000121098431 271018840 /nfs/dbraw/zinc/01/88/40/271018840.db2.gz IYVJSGQETONJHL-KSZLIROESA-N 1 3 300.446 2.795 20 0 DFADHO CC(C)([NH2+]CCCN1CCCCC1)C(=O)NCC1CCCC1 ZINC000162189626 271082573 /nfs/dbraw/zinc/08/25/73/271082573.db2.gz PBLFRRWPWZTHEJ-UHFFFAOYSA-N 1 3 309.498 2.537 20 0 DFADHO C[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])N1CCC(C)CC1 ZINC000166336578 271097158 /nfs/dbraw/zinc/09/71/58/271097158.db2.gz SOMXIKGBCNREDA-IKGGRYGDSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H](NC1CC1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000296383441 427163399 /nfs/dbraw/zinc/16/33/99/427163399.db2.gz KPBHIJJKTQKXAV-GJZGRUSLSA-N 1 3 315.461 2.998 20 0 DFADHO C[C@H](NC1CC1)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000296383441 427163407 /nfs/dbraw/zinc/16/34/07/427163407.db2.gz KPBHIJJKTQKXAV-GJZGRUSLSA-N 1 3 315.461 2.998 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCOCC(F)(F)C(F)F)[C@H](C)C1 ZINC000189688768 271204543 /nfs/dbraw/zinc/20/45/43/271204543.db2.gz MFZRKFDATTYEFK-NEPJUHHUSA-N 1 3 314.367 2.566 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCOCC(F)(F)C(F)F)[C@H](C)C1 ZINC000189688768 271204546 /nfs/dbraw/zinc/20/45/46/271204546.db2.gz MFZRKFDATTYEFK-NEPJUHHUSA-N 1 3 314.367 2.566 20 0 DFADHO [NH3+]CCCCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000237998689 271256038 /nfs/dbraw/zinc/25/60/38/271256038.db2.gz HGZQSMBOCHAYPB-SFHVURJKSA-N 1 3 317.477 2.676 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC000303394885 271365163 /nfs/dbraw/zinc/36/51/63/271365163.db2.gz XGRHAFKBAZGUTK-LMCOJAPRSA-N 1 3 313.489 2.866 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC000303394885 271365166 /nfs/dbraw/zinc/36/51/66/271365166.db2.gz XGRHAFKBAZGUTK-LMCOJAPRSA-N 1 3 313.489 2.866 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000333343541 271371353 /nfs/dbraw/zinc/37/13/53/271371353.db2.gz YQBKPTMPUQULAC-RQMAVPSVSA-N 1 3 313.445 2.679 20 0 DFADHO COc1cccc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000190773618 427178608 /nfs/dbraw/zinc/17/86/08/427178608.db2.gz GFUQVCFJWKRZQI-IYBDPMFKSA-N 1 3 305.466 2.938 20 0 DFADHO COc1cccc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000190773618 427178615 /nfs/dbraw/zinc/17/86/15/427178615.db2.gz GFUQVCFJWKRZQI-IYBDPMFKSA-N 1 3 305.466 2.938 20 0 DFADHO C[C@H]([NH2+]CCC1(O)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000284368458 427193654 /nfs/dbraw/zinc/19/36/54/427193654.db2.gz NMRIWRQLOHNXRL-HNNXBMFYSA-N 1 3 306.450 2.583 20 0 DFADHO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000190948751 427213470 /nfs/dbraw/zinc/21/34/70/427213470.db2.gz PPZQVRLHIBMMQV-UHFFFAOYSA-N 1 3 320.481 2.944 20 0 DFADHO COc1cc([C@H](C)[NH2+]C[C@H](C)CN(C)C)cc(OC)c1OC ZINC000293316122 427285524 /nfs/dbraw/zinc/28/55/24/427285524.db2.gz FKJAHGZXRZOYDD-STQMWFEESA-N 1 3 310.438 2.561 20 0 DFADHO CC[NH+](CC)CCCN(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000338279932 427231670 /nfs/dbraw/zinc/23/16/70/427231670.db2.gz BPUTXBIHUUKMKE-IBGZPJMESA-N 1 3 303.494 2.925 20 0 DFADHO CC[C@@H](C)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000337308551 271494129 /nfs/dbraw/zinc/49/41/29/271494129.db2.gz XXPOJLWFIISNSQ-MRXNPFEDSA-N 1 3 305.466 2.548 20 0 DFADHO CCc1cc(N[C@@H](C)CN2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000269724237 427264798 /nfs/dbraw/zinc/26/47/98/427264798.db2.gz CYWVIDXWRXRWIK-HNNXBMFYSA-N 1 3 312.461 2.845 20 0 DFADHO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)CN(C)C ZINC000293312245 427282990 /nfs/dbraw/zinc/28/29/90/427282990.db2.gz FDVKISXMBOMLKG-HUUCEWRRSA-N 1 3 303.450 2.662 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1CCCCCC1 ZINC000338394749 427300195 /nfs/dbraw/zinc/30/01/95/427300195.db2.gz GDLVYQOBTSAKMN-SFHVURJKSA-N 1 3 323.525 2.831 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1CCCCCC1 ZINC000338394749 427300202 /nfs/dbraw/zinc/30/02/02/427300202.db2.gz GDLVYQOBTSAKMN-SFHVURJKSA-N 1 3 323.525 2.831 20 0 DFADHO CC(C)[C@@H](O)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000293363405 427300715 /nfs/dbraw/zinc/30/07/15/427300715.db2.gz ONLWHPSZOBVGRS-RBUKOAKNSA-N 1 3 302.462 2.601 20 0 DFADHO CC(C)[C@@H](O)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000293363405 427300720 /nfs/dbraw/zinc/30/07/20/427300720.db2.gz ONLWHPSZOBVGRS-RBUKOAKNSA-N 1 3 302.462 2.601 20 0 DFADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000338444051 427324188 /nfs/dbraw/zinc/32/41/88/427324188.db2.gz LSAWSJRSWIEAAU-DOTOQJQBSA-N 1 3 312.461 2.968 20 0 DFADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000338444051 427324193 /nfs/dbraw/zinc/32/41/93/427324193.db2.gz LSAWSJRSWIEAAU-DOTOQJQBSA-N 1 3 312.461 2.968 20 0 DFADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)Cc1cccs1 ZINC000191399351 427341802 /nfs/dbraw/zinc/34/18/02/427341802.db2.gz SZJAJNXUPVLFDC-UHFFFAOYSA-N 1 3 309.523 2.986 20 0 DFADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1cccs1 ZINC000191399351 427341808 /nfs/dbraw/zinc/34/18/08/427341808.db2.gz SZJAJNXUPVLFDC-UHFFFAOYSA-N 1 3 309.523 2.986 20 0 DFADHO CN(CCC(=O)Nc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285636935 427295469 /nfs/dbraw/zinc/29/54/69/427295469.db2.gz XLOPTDFARCNIDQ-SJPCQFCGSA-N 1 3 319.424 2.711 20 0 DFADHO CN(CCC(=O)Nc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285636935 427295478 /nfs/dbraw/zinc/29/54/78/427295478.db2.gz XLOPTDFARCNIDQ-SJPCQFCGSA-N 1 3 319.424 2.711 20 0 DFADHO NC[C@H](NC(=O)C1([NH3+])CCCCC1)c1ccc2ccccc2c1 ZINC000262789022 427371763 /nfs/dbraw/zinc/37/17/63/427371763.db2.gz NLMNYCHZLIRYAO-KRWDZBQOSA-N 1 3 311.429 2.617 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1cccc(C(F)(F)F)n1 ZINC000293635031 427390585 /nfs/dbraw/zinc/39/05/85/427390585.db2.gz GUTIYFXLAXKEBD-DYEKYZERSA-N 1 3 315.383 2.961 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1cccc(C(F)(F)F)n1 ZINC000293635031 427390592 /nfs/dbraw/zinc/39/05/92/427390592.db2.gz GUTIYFXLAXKEBD-DYEKYZERSA-N 1 3 315.383 2.961 20 0 DFADHO CC(C)(CCC[NH3+])NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000293691008 427408322 /nfs/dbraw/zinc/40/83/22/427408322.db2.gz PBXXWEVSBICFPJ-QGZVFWFLSA-N 1 3 317.477 2.532 20 0 DFADHO Cn1cncc1CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000297636955 427416135 /nfs/dbraw/zinc/41/61/35/427416135.db2.gz MJWJAODOKMUIFB-HXUWFJFHSA-N 1 3 324.472 2.561 20 0 DFADHO Cn1cncc1CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000297636955 427416140 /nfs/dbraw/zinc/41/61/40/427416140.db2.gz MJWJAODOKMUIFB-HXUWFJFHSA-N 1 3 324.472 2.561 20 0 DFADHO Cn1cncc1CC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000297636955 427416148 /nfs/dbraw/zinc/41/61/48/427416148.db2.gz MJWJAODOKMUIFB-HXUWFJFHSA-N 1 3 324.472 2.561 20 0 DFADHO Cn1cncc1CC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000297636955 427416155 /nfs/dbraw/zinc/41/61/55/427416155.db2.gz MJWJAODOKMUIFB-HXUWFJFHSA-N 1 3 324.472 2.561 20 0 DFADHO Cc1nccn1CC[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000297773471 427450342 /nfs/dbraw/zinc/45/03/42/427450342.db2.gz VUIBHAMIVOBCTA-UHFFFAOYSA-N 1 3 321.428 2.562 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000278788923 427452037 /nfs/dbraw/zinc/45/20/37/427452037.db2.gz YPARTIQMDVFQCJ-RLFYNMQTSA-N 1 3 306.450 2.703 20 0 DFADHO Cc1cncc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000184416449 427455839 /nfs/dbraw/zinc/45/58/39/427455839.db2.gz IMYKNRXMWCRKBQ-IPELMVKDSA-N 1 3 317.477 2.809 20 0 DFADHO CO[C@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C1CC1 ZINC000293840116 427456396 /nfs/dbraw/zinc/45/63/96/427456396.db2.gz XRWPMZFZKINHSA-KBXCAEBGSA-N 1 3 306.450 2.703 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCC(=O)NC3(C)C)CC2)C1 ZINC000338774908 427479977 /nfs/dbraw/zinc/47/99/77/427479977.db2.gz LQGZNRBLUHFJLB-PVAVHDDUSA-N 1 3 321.509 2.676 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCC(=O)NC3(C)C)CC2)C1 ZINC000338774908 427479984 /nfs/dbraw/zinc/47/99/84/427479984.db2.gz LQGZNRBLUHFJLB-PVAVHDDUSA-N 1 3 321.509 2.676 20 0 DFADHO CC(C)C[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)C ZINC000184571372 427488870 /nfs/dbraw/zinc/48/88/70/427488870.db2.gz XZKXUZQDKDDJQP-GOSISDBHSA-N 1 3 319.493 2.772 20 0 DFADHO CC(C)C[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)C ZINC000184571372 427488876 /nfs/dbraw/zinc/48/88/76/427488876.db2.gz XZKXUZQDKDDJQP-GOSISDBHSA-N 1 3 319.493 2.772 20 0 DFADHO CC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000293901334 427483372 /nfs/dbraw/zinc/48/33/72/427483372.db2.gz ZPUCCHXTVMXAMY-INDMIFKZSA-N 1 3 302.462 2.648 20 0 DFADHO CC[NH+](CC)CCCN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000191818223 427431327 /nfs/dbraw/zinc/43/13/27/427431327.db2.gz HQHGTPBOVXKEBS-HNNXBMFYSA-N 1 3 305.470 2.593 20 0 DFADHO c1ccc(CN2CC[C@@H](N3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000271437399 427537031 /nfs/dbraw/zinc/53/70/31/427537031.db2.gz RCASYOLNUQGKCW-WOJBJXKFSA-N 1 3 313.489 2.821 20 0 DFADHO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)CN(C)C ZINC000294073393 427540467 /nfs/dbraw/zinc/54/04/67/427540467.db2.gz HYBWQNCHVLUDSR-CABCVRRESA-N 1 3 319.449 2.882 20 0 DFADHO C[C@@H]1COCC[C@@H]1[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000192520704 427555840 /nfs/dbraw/zinc/55/58/40/427555840.db2.gz LQNJHXHICZXZCA-PBHICJAKSA-N 1 3 308.491 2.975 20 0 DFADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C12CCC2 ZINC000294312711 427618956 /nfs/dbraw/zinc/61/89/56/427618956.db2.gz WBSJTEZOAGPEER-MSOLQXFVSA-N 1 3 315.461 2.988 20 0 DFADHO CC(C)C(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000192627321 427576584 /nfs/dbraw/zinc/57/65/84/427576584.db2.gz OTISXBYACZOODR-AYHJJNSGSA-N 1 3 315.461 2.996 20 0 DFADHO CN(C)[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccco1 ZINC000298345154 427576879 /nfs/dbraw/zinc/57/68/79/427576879.db2.gz JKYCDWVVAXISBL-KRWDZBQOSA-N 1 3 314.433 2.536 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000341863269 271914050 /nfs/dbraw/zinc/91/40/50/271914050.db2.gz NGVNSWDRLRJIGB-ZACQAIPSSA-N 1 3 311.514 2.876 20 0 DFADHO C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)N(C)Cc1ccccc1 ZINC000192851505 427623444 /nfs/dbraw/zinc/62/34/44/427623444.db2.gz VBAPCTFMVRYCJD-UXDRXVOSSA-N 1 3 301.478 2.722 20 0 DFADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)Cc1ccccc1 ZINC000192851505 427623449 /nfs/dbraw/zinc/62/34/49/427623449.db2.gz VBAPCTFMVRYCJD-UXDRXVOSSA-N 1 3 301.478 2.722 20 0 DFADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)Cc1ccccc1 ZINC000192851505 427623455 /nfs/dbraw/zinc/62/34/55/427623455.db2.gz VBAPCTFMVRYCJD-UXDRXVOSSA-N 1 3 301.478 2.722 20 0 DFADHO OC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000298423873 427605436 /nfs/dbraw/zinc/60/54/36/427605436.db2.gz MPNWJMMXRAEXLE-SFHVURJKSA-N 1 3 315.392 2.513 20 0 DFADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000192921375 427634151 /nfs/dbraw/zinc/63/41/51/427634151.db2.gz ZNQLFWZCYAKVGK-YZGWKJHDSA-N 1 3 315.505 2.828 20 0 DFADHO CC(C)N1CCC([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000192927587 427634589 /nfs/dbraw/zinc/63/45/89/427634589.db2.gz JQUHTMCONVBNHY-IBGZPJMESA-N 1 3 315.505 2.971 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287552417 427634643 /nfs/dbraw/zinc/63/46/43/427634643.db2.gz AQYLWWUHHPEZAK-RDJZCZTQSA-N 1 3 310.869 2.517 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287552417 427634650 /nfs/dbraw/zinc/63/46/50/427634650.db2.gz AQYLWWUHHPEZAK-RDJZCZTQSA-N 1 3 310.869 2.517 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CN1C1CC1 ZINC000192927253 427636188 /nfs/dbraw/zinc/63/61/88/427636188.db2.gz NGPJGKFKVHNQNT-NZSAHSFTSA-N 1 3 313.489 2.723 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccc(-n2ccnn2)c1 ZINC000287558218 427638324 /nfs/dbraw/zinc/63/83/24/427638324.db2.gz GBOQQIKZGJHYKV-XIRDDKMYSA-N 1 3 313.449 2.791 20 0 DFADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000342695141 272043557 /nfs/dbraw/zinc/04/35/57/272043557.db2.gz OTVBLUCRFOOYAM-QAPCUYQASA-N 1 3 315.461 2.999 20 0 DFADHO Cc1cccc(C)c1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000342928049 272066901 /nfs/dbraw/zinc/06/69/01/272066901.db2.gz PMNWLHRIMBMBTJ-QXAKKESOSA-N 1 3 302.462 2.987 20 0 DFADHO CN1CCCN(CCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343101792 272086065 /nfs/dbraw/zinc/08/60/65/272086065.db2.gz JFRIZPFNZPYJHR-GOSISDBHSA-N 1 3 321.896 2.945 20 0 DFADHO CCN1C[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000343164547 272092129 /nfs/dbraw/zinc/09/21/29/272092129.db2.gz WHBZKXIFOXTAOJ-PXNSSMCTSA-N 1 3 315.505 2.623 20 0 DFADHO CCN1C[C@@H](C)[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000343164549 272092357 /nfs/dbraw/zinc/09/23/57/272092357.db2.gz WHBZKXIFOXTAOJ-YLJYHZDGSA-N 1 3 315.505 2.623 20 0 DFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000343641141 272190816 /nfs/dbraw/zinc/19/08/16/272190816.db2.gz NXUQHLQVBQUJLU-ROUUACIJSA-N 1 3 321.509 2.774 20 0 DFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000343641141 272190818 /nfs/dbraw/zinc/19/08/18/272190818.db2.gz NXUQHLQVBQUJLU-ROUUACIJSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@H+](C[C@@H](O)C(C)(C)C)CC1CCN(c2ccncc2)CC1 ZINC000343723945 272208647 /nfs/dbraw/zinc/20/86/47/272208647.db2.gz YAZPTEMXKLAYGY-QGZVFWFLSA-N 1 3 305.466 2.637 20 0 DFADHO C[N@@H+](C[C@@H](O)C(C)(C)C)CC1CCN(c2ccncc2)CC1 ZINC000343723945 272208648 /nfs/dbraw/zinc/20/86/48/272208648.db2.gz YAZPTEMXKLAYGY-QGZVFWFLSA-N 1 3 305.466 2.637 20 0 DFADHO C[C@@H](c1cccc(F)c1)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343730536 272209542 /nfs/dbraw/zinc/20/95/42/272209542.db2.gz OLNUXJWITQRVDX-CVEARBPZSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@@H](c1cccc(F)c1)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343730536 272209545 /nfs/dbraw/zinc/20/95/45/272209545.db2.gz OLNUXJWITQRVDX-CVEARBPZSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@@H](c1cccc(F)c1)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343730536 272209548 /nfs/dbraw/zinc/20/95/48/272209548.db2.gz OLNUXJWITQRVDX-CVEARBPZSA-N 1 3 319.468 2.987 20 0 DFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(C)nc1C ZINC000344147227 272273285 /nfs/dbraw/zinc/27/32/85/272273285.db2.gz CUGAEBKWQJTJCH-UHFFFAOYSA-N 1 3 318.509 2.548 20 0 DFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(C)nc1C ZINC000344147227 272273287 /nfs/dbraw/zinc/27/32/87/272273287.db2.gz CUGAEBKWQJTJCH-UHFFFAOYSA-N 1 3 318.509 2.548 20 0 DFADHO Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(CN(C)C)c1 ZINC000344208302 272287139 /nfs/dbraw/zinc/28/71/39/272287139.db2.gz UHIICTAKGAPMRM-LSDHHAIUSA-N 1 3 303.450 2.725 20 0 DFADHO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(CN(C)C)c1 ZINC000344208302 272287142 /nfs/dbraw/zinc/28/71/42/272287142.db2.gz UHIICTAKGAPMRM-LSDHHAIUSA-N 1 3 303.450 2.725 20 0 DFADHO CC[NH+]1CCC(N2CCCN(Cc3ccccc3F)CC2)CC1 ZINC000344267096 272300807 /nfs/dbraw/zinc/30/08/07/272300807.db2.gz ITGCXMRQLYHFFM-UHFFFAOYSA-N 1 3 319.468 2.818 20 0 DFADHO CC[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N(CC)CC ZINC000344518767 272333217 /nfs/dbraw/zinc/33/32/17/272333217.db2.gz BXWXQXKBGMESPW-IAGOWNOFSA-N 1 3 311.514 2.735 20 0 DFADHO CC[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N(CC)CC ZINC000344518767 272333219 /nfs/dbraw/zinc/33/32/19/272333219.db2.gz BXWXQXKBGMESPW-IAGOWNOFSA-N 1 3 311.514 2.735 20 0 DFADHO CCN1CCN(CCC[NH2+]Cc2cc(C)cc(Cl)c2)CC1 ZINC000339181814 427721481 /nfs/dbraw/zinc/72/14/81/427721481.db2.gz GJUJYQKZUJNJSA-UHFFFAOYSA-N 1 3 309.885 2.766 20 0 DFADHO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000344832619 272375654 /nfs/dbraw/zinc/37/56/54/272375654.db2.gz PBULRGKNMKFJFO-KVPLUYHFSA-N 1 3 315.505 2.969 20 0 DFADHO Cc1ccccc1-n1nccc1CN(C)CC1CC[NH+](C)CC1 ZINC000279546540 427700020 /nfs/dbraw/zinc/70/00/20/427700020.db2.gz DDUHCQPMIYQMNN-UHFFFAOYSA-N 1 3 312.461 2.954 20 0 DFADHO CC[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)N(CC)CC ZINC000345206717 272429746 /nfs/dbraw/zinc/42/97/46/272429746.db2.gz JBPJPCJWAFXFHX-SFHVURJKSA-N 1 3 323.525 2.878 20 0 DFADHO Cc1c(CN2CCC(CCC[NH+]3CCCC3)CC2)cnn1C ZINC000336856905 427762243 /nfs/dbraw/zinc/76/22/43/427762243.db2.gz OZBRMSBSPSMYMC-UHFFFAOYSA-N 1 3 304.482 2.817 20 0 DFADHO Cc1cc(Cl)cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000339387522 427765631 /nfs/dbraw/zinc/76/56/31/427765631.db2.gz KPPYKGBRIWKTOZ-UHFFFAOYSA-N 1 3 309.885 2.764 20 0 DFADHO Cc1ccc(CCC[N@H+]2C[C@@H](c3ccccc3)[C@@H](CN)C2)cn1 ZINC000339406875 427768851 /nfs/dbraw/zinc/76/88/51/427768851.db2.gz GZVHKZMOQWSACR-PMACEKPBSA-N 1 3 309.457 2.997 20 0 DFADHO Cc1ccc(CCC[N@@H+]2C[C@@H](c3ccccc3)[C@@H](CN)C2)cn1 ZINC000339406875 427768853 /nfs/dbraw/zinc/76/88/53/427768853.db2.gz GZVHKZMOQWSACR-PMACEKPBSA-N 1 3 309.457 2.997 20 0 DFADHO COc1ccc(CN(C[C@@H]2CCC[NH2+]C2)[C@@H](CO)C(C)C)cc1 ZINC000339431725 427773860 /nfs/dbraw/zinc/77/38/60/427773860.db2.gz UUFWGADDRNARKK-MJGOQNOKSA-N 1 3 320.477 2.514 20 0 DFADHO COc1ccc(C[N@H+](C[C@@H]2CCCNC2)[C@@H](CO)C(C)C)cc1 ZINC000339431725 427773863 /nfs/dbraw/zinc/77/38/63/427773863.db2.gz UUFWGADDRNARKK-MJGOQNOKSA-N 1 3 320.477 2.514 20 0 DFADHO COc1ccc(C[N@@H+](C[C@@H]2CCCNC2)[C@@H](CO)C(C)C)cc1 ZINC000339431725 427773866 /nfs/dbraw/zinc/77/38/66/427773866.db2.gz UUFWGADDRNARKK-MJGOQNOKSA-N 1 3 320.477 2.514 20 0 DFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN(CC3CC3)CC2)o1 ZINC000194361982 427740543 /nfs/dbraw/zinc/74/05/43/427740543.db2.gz ASYRGZZLNGCURL-UHFFFAOYSA-N 1 3 314.433 2.942 20 0 DFADHO COc1cc2nccc(N3C[C@H](C)[C@H]([NH+](C)C)C3)c2cc1OC ZINC000299029086 427741391 /nfs/dbraw/zinc/74/13/91/427741391.db2.gz TUTQDZHTWROJQG-BLLLJJGKSA-N 1 3 315.417 2.638 20 0 DFADHO COc1cc2nccc(N3C[C@@H](C)[C@@H]([NH+](C)C)C3)c2cc1OC ZINC000299029096 427741882 /nfs/dbraw/zinc/74/18/82/427741882.db2.gz TUTQDZHTWROJQG-WBMJQRKESA-N 1 3 315.417 2.638 20 0 DFADHO CC[C@@H]1C[C@H](C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000355675759 427844581 /nfs/dbraw/zinc/84/45/81/427844581.db2.gz WANNRHCLHMVYMG-BRSBDYLESA-N 1 3 312.498 2.671 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H](C)c1ccc(F)c(F)c1 ZINC000349696345 427845226 /nfs/dbraw/zinc/84/52/26/427845226.db2.gz UOFFAHQTLXQLFG-CYBMUJFWSA-N 1 3 300.393 2.974 20 0 DFADHO CCN(CC[NH+]1CCCCCC1)C(=O)[C@H](C1CC1)N1CCCC1 ZINC000346302513 272616787 /nfs/dbraw/zinc/61/67/87/272616787.db2.gz DLXOULZHGTUDSJ-SFHVURJKSA-N 1 3 321.509 2.585 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)C(C)C ZINC000340515006 427870384 /nfs/dbraw/zinc/87/03/84/427870384.db2.gz LIKZRRGGANXQKJ-SJORKVTESA-N 1 3 311.514 2.543 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)C(C)C ZINC000340515006 427870388 /nfs/dbraw/zinc/87/03/88/427870388.db2.gz LIKZRRGGANXQKJ-SJORKVTESA-N 1 3 311.514 2.543 20 0 DFADHO COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000340537555 427875050 /nfs/dbraw/zinc/87/50/50/427875050.db2.gz UYGJRNYBNVYESE-HNNXBMFYSA-N 1 3 320.477 2.546 20 0 DFADHO CC[C@@H](Cn1cncn1)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000340535784 427875631 /nfs/dbraw/zinc/87/56/31/427875631.db2.gz RNDIFCLYLLBYFW-AEFFLSMTSA-N 1 3 315.465 2.557 20 0 DFADHO CC[C@@H](Cn1cncn1)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340535784 427875635 /nfs/dbraw/zinc/87/56/35/427875635.db2.gz RNDIFCLYLLBYFW-AEFFLSMTSA-N 1 3 315.465 2.557 20 0 DFADHO CC(C)[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)N1CCCCC1 ZINC000359519175 427887379 /nfs/dbraw/zinc/88/73/79/427887379.db2.gz RDSOECUCXBNBHO-MSOLQXFVSA-N 1 3 323.525 2.830 20 0 DFADHO CC(C)[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)N1CCCCC1 ZINC000359519175 427887385 /nfs/dbraw/zinc/88/73/85/427887385.db2.gz RDSOECUCXBNBHO-MSOLQXFVSA-N 1 3 323.525 2.830 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337427251 427900790 /nfs/dbraw/zinc/90/07/90/427900790.db2.gz BRGSXZXXVFLDGX-IAGOWNOFSA-N 1 3 316.493 2.883 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337427251 427900797 /nfs/dbraw/zinc/90/07/97/427900797.db2.gz BRGSXZXXVFLDGX-IAGOWNOFSA-N 1 3 316.493 2.883 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337427251 427900798 /nfs/dbraw/zinc/90/07/98/427900798.db2.gz BRGSXZXXVFLDGX-IAGOWNOFSA-N 1 3 316.493 2.883 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337427251 427900805 /nfs/dbraw/zinc/90/08/05/427900805.db2.gz BRGSXZXXVFLDGX-IAGOWNOFSA-N 1 3 316.493 2.883 20 0 DFADHO CC[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(CC)CC ZINC000345783145 427903238 /nfs/dbraw/zinc/90/32/38/427903238.db2.gz JPGYRZOYSCAWLH-IXDOHACOSA-N 1 3 311.514 2.591 20 0 DFADHO CC[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(CC)CC ZINC000345783145 427903243 /nfs/dbraw/zinc/90/32/43/427903243.db2.gz JPGYRZOYSCAWLH-IXDOHACOSA-N 1 3 311.514 2.591 20 0 DFADHO Cc1cc(F)ccc1C[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000337463843 427919093 /nfs/dbraw/zinc/91/90/93/427919093.db2.gz LQEWQCCYRBMABI-UHFFFAOYSA-N 1 3 321.484 2.982 20 0 DFADHO Cc1cc(F)ccc1C[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000337463843 427919100 /nfs/dbraw/zinc/91/91/00/427919100.db2.gz LQEWQCCYRBMABI-UHFFFAOYSA-N 1 3 321.484 2.982 20 0 DFADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000337469990 427920757 /nfs/dbraw/zinc/92/07/57/427920757.db2.gz NEEIEGLOBKNXAR-MHORFTMASA-N 1 3 312.498 2.671 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000359603379 427931434 /nfs/dbraw/zinc/93/14/34/427931434.db2.gz VZIVIHLKNRMCBJ-ZACQAIPSSA-N 1 3 305.466 2.736 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000359603379 427931439 /nfs/dbraw/zinc/93/14/39/427931439.db2.gz VZIVIHLKNRMCBJ-ZACQAIPSSA-N 1 3 305.466 2.736 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000359603379 427931445 /nfs/dbraw/zinc/93/14/45/427931445.db2.gz VZIVIHLKNRMCBJ-ZACQAIPSSA-N 1 3 305.466 2.736 20 0 DFADHO C[NH+](C)CCC1CCN([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359614379 427936019 /nfs/dbraw/zinc/93/60/19/427936019.db2.gz VAPVAEHFCGJXIW-QGZVFWFLSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+]([C@@H](C)CCc2cccc(F)c2)CC1 ZINC000341332798 428032990 /nfs/dbraw/zinc/03/29/90/428032990.db2.gz WQWQQQFGEFSQTB-HOTGVXAUSA-N 1 3 322.468 2.924 20 0 DFADHO Cc1ccc2ncc(CN3CCCC4(CC[NH+](C)CC4)C3)n2c1 ZINC000369720502 428044402 /nfs/dbraw/zinc/04/44/02/428044402.db2.gz ISGSGDAKPAELCP-UHFFFAOYSA-N 1 3 312.461 2.951 20 0 DFADHO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1cccc(OCCN(C)C)c1 ZINC000359876568 428058469 /nfs/dbraw/zinc/05/84/69/428058469.db2.gz OOISVLNURQOEGA-JVPBZIDWSA-N 1 3 318.461 2.845 20 0 DFADHO C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(F)c2ccccc21 ZINC000340357739 427998652 /nfs/dbraw/zinc/99/86/52/427998652.db2.gz IDUSFJLXWHYDPE-FZKQIMNGSA-N 1 3 302.393 2.696 20 0 DFADHO C[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(F)c2ccccc21 ZINC000340357739 427998656 /nfs/dbraw/zinc/99/86/56/427998656.db2.gz IDUSFJLXWHYDPE-FZKQIMNGSA-N 1 3 302.393 2.696 20 0 DFADHO CN(C)C1(C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)CCC1 ZINC000340361088 427999220 /nfs/dbraw/zinc/99/92/20/427999220.db2.gz ZSMKGUFYQJCMIJ-ROUUACIJSA-N 1 3 301.478 2.896 20 0 DFADHO CC(C)[C@@H](C(=O)N1CC[C@H](N2CCCCC2)C1)[NH+]1CCCCC1 ZINC000341188183 428005947 /nfs/dbraw/zinc/00/59/47/428005947.db2.gz LLJPWQMOFIHSRS-ROUUACIJSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)CCn1cccn1 ZINC000369907461 428085519 /nfs/dbraw/zinc/08/55/19/428085519.db2.gz YOIQEIBEUQBFBW-IEBWSBKVSA-N 1 3 312.461 2.726 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)CCn1cccn1 ZINC000369907461 428085523 /nfs/dbraw/zinc/08/55/23/428085523.db2.gz YOIQEIBEUQBFBW-IEBWSBKVSA-N 1 3 312.461 2.726 20 0 DFADHO CN1CCCC[C@@H]1CC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000377261250 428095223 /nfs/dbraw/zinc/09/52/23/428095223.db2.gz IAFOCSKEMCXVMM-OAHLLOKOSA-N 1 3 321.440 2.938 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000351853927 428112113 /nfs/dbraw/zinc/11/21/13/428112113.db2.gz PRKPBSFVDZVJOD-AAEUAGOBSA-N 1 3 302.340 2.797 20 0 DFADHO O[C@@H](CNC1CC(c2cc(F)cc(F)c2)C1)C[NH+]1CCCCC1 ZINC000377397471 428120457 /nfs/dbraw/zinc/12/04/57/428120457.db2.gz KVFAKWNZGCJECI-UYJHFMRCSA-N 1 3 324.415 2.647 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C[C@H]1C ZINC000413498443 428062983 /nfs/dbraw/zinc/06/29/83/428062983.db2.gz MQSHEVLJXJAPET-ALYAQQCSSA-N 1 3 309.498 2.579 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C[C@H]1C ZINC000413498443 428062989 /nfs/dbraw/zinc/06/29/89/428062989.db2.gz MQSHEVLJXJAPET-ALYAQQCSSA-N 1 3 309.498 2.579 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C[C@@H]1C ZINC000346346626 428136368 /nfs/dbraw/zinc/13/63/68/428136368.db2.gz XHYPTOSUIVEJBK-ULQDDVLXSA-N 1 3 309.498 2.582 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C[C@@H]1C ZINC000346346626 428136376 /nfs/dbraw/zinc/13/63/76/428136376.db2.gz XHYPTOSUIVEJBK-ULQDDVLXSA-N 1 3 309.498 2.582 20 0 DFADHO CN1CC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1cccs1 ZINC000370160084 428145649 /nfs/dbraw/zinc/14/56/49/428145649.db2.gz FNLRGJMJXBCGQC-DZGCQCFKSA-N 1 3 306.479 2.751 20 0 DFADHO CC(C)CCNC(=[NH2+])NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000370160092 428147556 /nfs/dbraw/zinc/14/75/56/428147556.db2.gz FODIYWQVMLDTER-DZGCQCFKSA-N 1 3 308.495 2.901 20 0 DFADHO CC(C)[C@H](CSc1ccccc1)NC[C@H](O)C[NH+]1CCCC1 ZINC000352558280 428148872 /nfs/dbraw/zinc/14/88/72/428148872.db2.gz VXFLLGHOYQKRPI-WMZOPIPTSA-N 1 3 322.518 2.850 20 0 DFADHO Cc1cccc2ncc(CN3CCC(CC[NH+](C)C)CC3)n21 ZINC000352654047 428184636 /nfs/dbraw/zinc/18/46/36/428184636.db2.gz HBDQNASUTFAFMZ-UHFFFAOYSA-N 1 3 300.450 2.806 20 0 DFADHO CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)[C@H]1C[C@@H]1C ZINC000414105362 428209640 /nfs/dbraw/zinc/20/96/40/428209640.db2.gz GPYGQUFAKRPGJP-QZHFEQFPSA-N 1 3 302.462 2.777 20 0 DFADHO C[C@H](N[C@@H]1CC[N@@H+](C2CCCCCC2)C1)C(C)(C)n1cncn1 ZINC000377740062 428213904 /nfs/dbraw/zinc/21/39/04/428213904.db2.gz BSRGTLIAPISRDO-JKSUJKDBSA-N 1 3 319.497 2.788 20 0 DFADHO C[C@H](N[C@@H]1CC[N@H+](C2CCCCCC2)C1)C(C)(C)n1cncn1 ZINC000377740062 428213908 /nfs/dbraw/zinc/21/39/08/428213908.db2.gz BSRGTLIAPISRDO-JKSUJKDBSA-N 1 3 319.497 2.788 20 0 DFADHO Cn1cnc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000414131299 428214999 /nfs/dbraw/zinc/21/49/99/428214999.db2.gz YYHPHFFDQSSRGT-OWZKRDHZSA-N 1 3 324.472 2.748 20 0 DFADHO Cn1cnc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000414131299 428215004 /nfs/dbraw/zinc/21/50/04/428215004.db2.gz YYHPHFFDQSSRGT-OWZKRDHZSA-N 1 3 324.472 2.748 20 0 DFADHO C[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000414140129 428217890 /nfs/dbraw/zinc/21/78/90/428217890.db2.gz IUPLBFFCHPWLNZ-APWZRJJASA-N 1 3 316.489 2.990 20 0 DFADHO C[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000414140129 428217896 /nfs/dbraw/zinc/21/78/96/428217896.db2.gz IUPLBFFCHPWLNZ-APWZRJJASA-N 1 3 316.489 2.990 20 0 DFADHO COc1ccc(C[C@H](C)NC2CC([NH+]3CCCCC3)C2)cn1 ZINC000414152519 428218710 /nfs/dbraw/zinc/21/87/10/428218710.db2.gz QJMFWJAOSLYTDY-OOHWJJMZSA-N 1 3 303.450 2.628 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCCO1 ZINC000346565404 428219579 /nfs/dbraw/zinc/21/95/79/428219579.db2.gz SGONGXINHZEMJZ-UHOSZYNNSA-N 1 3 302.462 2.708 20 0 DFADHO C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCO1 ZINC000346565404 428219584 /nfs/dbraw/zinc/21/95/84/428219584.db2.gz SGONGXINHZEMJZ-UHOSZYNNSA-N 1 3 302.462 2.708 20 0 DFADHO C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCCO1 ZINC000346565404 428219588 /nfs/dbraw/zinc/21/95/88/428219588.db2.gz SGONGXINHZEMJZ-UHOSZYNNSA-N 1 3 302.462 2.708 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000356528277 428220005 /nfs/dbraw/zinc/22/00/05/428220005.db2.gz BIZQMTNAVUXEAX-JKSUJKDBSA-N 1 3 319.493 2.790 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370488016 428223587 /nfs/dbraw/zinc/22/35/87/428223587.db2.gz KFMAWNJSOSNOCN-QZTJIDSGSA-N 1 3 321.509 2.585 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370488016 428223593 /nfs/dbraw/zinc/22/35/93/428223593.db2.gz KFMAWNJSOSNOCN-QZTJIDSGSA-N 1 3 321.509 2.585 20 0 DFADHO CCOC1CC(O)(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000370526108 428230209 /nfs/dbraw/zinc/23/02/09/428230209.db2.gz IMUQCFNYOQVIAW-BARLLCKDSA-N 1 3 324.509 2.549 20 0 DFADHO CCOC1CC(O)(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000370526108 428230213 /nfs/dbraw/zinc/23/02/13/428230213.db2.gz IMUQCFNYOQVIAW-BARLLCKDSA-N 1 3 324.509 2.549 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cn1 ZINC000414074789 428198390 /nfs/dbraw/zinc/19/83/90/428198390.db2.gz OOJSFZLLLUAAJN-HOTGVXAUSA-N 1 3 305.466 2.733 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@H](C)C[NH+]2CCCCC2)cn1 ZINC000414074789 428198393 /nfs/dbraw/zinc/19/83/93/428198393.db2.gz OOJSFZLLLUAAJN-HOTGVXAUSA-N 1 3 305.466 2.733 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c(C)c1 ZINC000414073979 428198655 /nfs/dbraw/zinc/19/86/55/428198655.db2.gz WJMQMCCPJOASPG-MRXNPFEDSA-N 1 3 319.493 2.680 20 0 DFADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(COCCOC)cc2)C1 ZINC000342028922 428282958 /nfs/dbraw/zinc/28/29/58/428282958.db2.gz SEMXUQLROPCQBS-LJQANCHMSA-N 1 3 320.477 2.671 20 0 DFADHO CC(C)Cn1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000377883363 428254097 /nfs/dbraw/zinc/25/40/97/428254097.db2.gz JHPBNZPKUJDJIF-GOSISDBHSA-N 1 3 304.482 2.703 20 0 DFADHO COc1c(C)cc(CN2CCC(OCCC[NH3+])CC2)cc1C ZINC000346649009 428256264 /nfs/dbraw/zinc/25/62/64/428256264.db2.gz GIFDZXOELLFYRB-UHFFFAOYSA-N 1 3 306.450 2.642 20 0 DFADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000370638790 428259875 /nfs/dbraw/zinc/25/98/75/428259875.db2.gz ZHDXKWMPDVGZJV-IAGOWNOFSA-N 1 3 301.478 2.814 20 0 DFADHO CCN(CCCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)CC(F)(F)F ZINC000352924264 428313015 /nfs/dbraw/zinc/31/30/15/428313015.db2.gz YTNVWBYAAPYOEI-YIONKMFJSA-N 1 3 321.431 2.818 20 0 DFADHO CCN(CCCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(F)(F)F ZINC000352924264 428313021 /nfs/dbraw/zinc/31/30/21/428313021.db2.gz YTNVWBYAAPYOEI-YIONKMFJSA-N 1 3 321.431 2.818 20 0 DFADHO CCN1CC[C@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@@H](C)C1 ZINC000378168769 428325469 /nfs/dbraw/zinc/32/54/69/428325469.db2.gz MGUJWKYBKFBHJX-YJBOKZPZSA-N 1 3 316.493 2.679 20 0 DFADHO COc1ccc(OCCCN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342152820 428326456 /nfs/dbraw/zinc/32/64/56/428326456.db2.gz YTBLABFXXBXGIE-WBAXXEDZSA-N 1 3 304.434 2.523 20 0 DFADHO Cc1cn2c(n1)[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)CCC2 ZINC000378181621 428328173 /nfs/dbraw/zinc/32/81/73/428328173.db2.gz DFHXATYKBAJJND-OAHLLOKOSA-N 1 3 304.482 2.921 20 0 DFADHO Cc1cn2c(n1)[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)CCC2 ZINC000378181621 428328175 /nfs/dbraw/zinc/32/81/75/428328175.db2.gz DFHXATYKBAJJND-OAHLLOKOSA-N 1 3 304.482 2.921 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000352968312 428331491 /nfs/dbraw/zinc/33/14/91/428331491.db2.gz ORLCAOMIDOGFFG-IRXDYDNUSA-N 1 3 309.498 2.630 20 0 DFADHO c1ccc2c(c1)CCN2CC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346821491 428332726 /nfs/dbraw/zinc/33/27/26/428332726.db2.gz AIGCQBYEQBVVPE-GOSISDBHSA-N 1 3 313.489 2.761 20 0 DFADHO c1ccc2c(c1)CCN2CC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000346821491 428332734 /nfs/dbraw/zinc/33/27/34/428332734.db2.gz AIGCQBYEQBVVPE-GOSISDBHSA-N 1 3 313.489 2.761 20 0 DFADHO FC(F)(F)CCN1CCC(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000356844002 428333976 /nfs/dbraw/zinc/33/39/76/428333976.db2.gz LYIPOGOZOBEQEA-CABCVRRESA-N 1 3 319.415 2.620 20 0 DFADHO FC(F)(F)CCN1CCC(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000356844002 428333983 /nfs/dbraw/zinc/33/39/83/428333983.db2.gz LYIPOGOZOBEQEA-CABCVRRESA-N 1 3 319.415 2.620 20 0 DFADHO CCN(CC)CCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000356850284 428337794 /nfs/dbraw/zinc/33/77/94/428337794.db2.gz QCJKWXVNDJLINX-UHFFFAOYSA-N 1 3 309.420 2.725 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@H]12 ZINC000346843150 428343000 /nfs/dbraw/zinc/34/30/00/428343000.db2.gz XFQQMZIWVWNRDO-VBNZEHGJSA-N 1 3 316.836 2.899 20 0 DFADHO Cc1cccc2c1ncc(C)c2NC[C@H](O)C[NH+]1CCCCC1 ZINC000360666336 428390643 /nfs/dbraw/zinc/39/06/43/428390643.db2.gz OWGBWLIZIDZTSE-INIZCTEOSA-N 1 3 313.445 2.532 20 0 DFADHO COc1cccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1OC ZINC000414775103 428401359 /nfs/dbraw/zinc/40/13/59/428401359.db2.gz GEZSSASMTFKSMY-CABCVRRESA-N 1 3 304.434 2.525 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414796336 428414244 /nfs/dbraw/zinc/41/42/44/428414244.db2.gz HOIXSBZMMQHBEN-AAEUAGOBSA-N 1 3 320.330 2.984 20 0 DFADHO COc1cccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1OC ZINC000414775114 428402310 /nfs/dbraw/zinc/40/23/10/428402310.db2.gz GEZSSASMTFKSMY-LSDHHAIUSA-N 1 3 304.434 2.525 20 0 DFADHO CCn1nc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2ccccc21 ZINC000414788183 428408800 /nfs/dbraw/zinc/40/88/00/428408800.db2.gz WJODZWNKFQMYJY-HZPDHXFCSA-N 1 3 312.461 2.878 20 0 DFADHO c1cn(-c2ccccc2)nc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787743 428410398 /nfs/dbraw/zinc/41/03/98/428410398.db2.gz VXWFQVAMNWDGGE-SJORKVTESA-N 1 3 310.445 2.694 20 0 DFADHO COc1cc2c(c(CN3CCC([C@H](C)[NH3+])CC3)c1)O[C@H](C)C2 ZINC000347025425 428411143 /nfs/dbraw/zinc/41/11/43/428411143.db2.gz SDTRBBLZWZNQTB-OLZOCXBDSA-N 1 3 304.434 2.578 20 0 DFADHO c1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000414787197 428411165 /nfs/dbraw/zinc/41/11/65/428411165.db2.gz VIQBMQMDLXXSDA-JKSUJKDBSA-N 1 3 316.445 2.669 20 0 DFADHO Cc1cc(C)c(C[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)c(C)c1 ZINC000414791780 428412248 /nfs/dbraw/zinc/41/22/48/428412248.db2.gz QXNHJUGAZQIKNW-KRWDZBQOSA-N 1 3 302.462 2.799 20 0 DFADHO Cc1cc(C)c(C[N@H+]2C[C@H](CN)C3(C2)CCOCC3)c(C)c1 ZINC000414791780 428412254 /nfs/dbraw/zinc/41/22/54/428412254.db2.gz QXNHJUGAZQIKNW-KRWDZBQOSA-N 1 3 302.462 2.799 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000347026992 428412821 /nfs/dbraw/zinc/41/28/21/428412821.db2.gz QNYPSZGVNZKXSZ-CAOSSQGBSA-N 1 3 311.514 2.636 20 0 DFADHO CC(C)N1CCC([NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)CC1 ZINC000360578658 428357000 /nfs/dbraw/zinc/35/70/00/428357000.db2.gz HTANICLSYMHMMF-SFHVURJKSA-N 1 3 317.477 2.668 20 0 DFADHO [NH3+]CCOCCN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000357036182 428372264 /nfs/dbraw/zinc/37/22/64/428372264.db2.gz WWNWFPVNVGYOPC-UHFFFAOYSA-N 1 3 302.340 2.645 20 0 DFADHO CC(C)[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(F)c(F)c1 ZINC000342268637 428375477 /nfs/dbraw/zinc/37/54/77/428375477.db2.gz QHDLWTSDHMQNQR-RHSMWYFYSA-N 1 3 312.404 2.708 20 0 DFADHO CN(Cc1ccccc1)[C@H]1CCN(CCC[NH+]2CCCC2)C1 ZINC000371205087 428378098 /nfs/dbraw/zinc/37/80/98/428378098.db2.gz NSJBLIKBYATXMZ-IBGZPJMESA-N 1 3 301.478 2.679 20 0 DFADHO CCCCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)CCC ZINC000414700832 428378516 /nfs/dbraw/zinc/37/85/16/428378516.db2.gz ZVPXLEXMQLAASE-SJORKVTESA-N 1 3 311.514 2.865 20 0 DFADHO CCCCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)CCC ZINC000414700832 428378522 /nfs/dbraw/zinc/37/85/22/428378522.db2.gz ZVPXLEXMQLAASE-SJORKVTESA-N 1 3 311.514 2.865 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cccc2[nH]ccc21 ZINC000378367797 428381086 /nfs/dbraw/zinc/38/10/86/428381086.db2.gz DYGBPWZUQLKWBT-AYOQOUSVSA-N 1 3 313.445 2.851 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cnc(-c2ccncc2)s1 ZINC000414793531 428413762 /nfs/dbraw/zinc/41/37/62/428413762.db2.gz DPCCSIUXSRTUQX-DZGCQCFKSA-N 1 3 302.447 2.812 20 0 DFADHO Clc1ccccc1CN1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC000414861086 428436231 /nfs/dbraw/zinc/43/62/31/428436231.db2.gz DXHOYUGFHZPUAY-INIZCTEOSA-N 1 3 307.869 2.646 20 0 DFADHO CCOc1c(OC)cc(CN2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000347098842 428443971 /nfs/dbraw/zinc/44/39/71/428443971.db2.gz ITNMFSANZZTQLE-ZDUSSCGKSA-N 1 3 322.449 2.662 20 0 DFADHO COCC[NH2+]CCNC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414880308 428444296 /nfs/dbraw/zinc/44/42/96/428444296.db2.gz IVLCIBHGWUZXHV-LBPRGKRZSA-N 1 3 304.356 2.635 20 0 DFADHO CN(C(=[NH2+])NC[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000378643508 428447792 /nfs/dbraw/zinc/44/77/92/428447792.db2.gz UKEMBLZCRZBAJJ-MRXNPFEDSA-N 1 3 300.450 2.517 20 0 DFADHO Clc1ccc(CN2CCC(NC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000414898694 428448892 /nfs/dbraw/zinc/44/88/92/428448892.db2.gz BVVNOISEJPIVKK-OAHLLOKOSA-N 1 3 307.869 2.504 20 0 DFADHO C[C@H](CC[NH3+])NCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414901859 428450084 /nfs/dbraw/zinc/45/00/84/428450084.db2.gz XQARTIHMOUPMTC-CQSZACIVSA-N 1 3 313.449 2.887 20 0 DFADHO Cn1c(CNCC2(C)CC[NH2+]CC2)nc2ccc(Cl)cc21 ZINC000414903805 428453224 /nfs/dbraw/zinc/45/32/24/428453224.db2.gz MFZMVYAHWSXMHD-UHFFFAOYSA-N 1 3 306.841 2.706 20 0 DFADHO CC1(C)CC[C@H]([NH2+]C[C@H](O)CN2CCCC2)c2ccccc21 ZINC000360834575 428456650 /nfs/dbraw/zinc/45/66/50/428456650.db2.gz JBCSYFRGSXSYCJ-YJBOKZPZSA-N 1 3 302.462 2.845 20 0 DFADHO C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000414925371 428460935 /nfs/dbraw/zinc/46/09/35/428460935.db2.gz JMYCNDSUAAGHTJ-JFRXWTBNSA-N 1 3 301.478 2.627 20 0 DFADHO CC(C)(C)CC(=O)N1CCC(NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000414925267 428461023 /nfs/dbraw/zinc/46/10/23/428461023.db2.gz IITISMCTAKYVIG-MRXNPFEDSA-N 1 3 323.525 2.781 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414936887 428463654 /nfs/dbraw/zinc/46/36/54/428463654.db2.gz HCCMGRFALIIINR-YCPHGPKFSA-N 1 3 303.450 2.554 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCNC[C@H]1C ZINC000414936887 428463660 /nfs/dbraw/zinc/46/36/60/428463660.db2.gz HCCMGRFALIIINR-YCPHGPKFSA-N 1 3 303.450 2.554 20 0 DFADHO COc1cc(C[NH2+][C@H](C)CN)ccc1OCc1ccc(F)cc1 ZINC000414937716 428463795 /nfs/dbraw/zinc/46/37/95/428463795.db2.gz WPZXCZXRTUKGFP-CYBMUJFWSA-N 1 3 318.392 2.850 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H]2CN)c1C ZINC000414809000 428418831 /nfs/dbraw/zinc/41/88/31/428418831.db2.gz SZYMIXDPALXEKP-LXZKKBNFSA-N 1 3 303.450 2.738 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@@H]2C[NH3+])c1C ZINC000414809000 428418835 /nfs/dbraw/zinc/41/88/35/428418835.db2.gz SZYMIXDPALXEKP-LXZKKBNFSA-N 1 3 303.450 2.738 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@H](C[NH3+])C1CC1 ZINC000414812019 428419697 /nfs/dbraw/zinc/41/96/97/428419697.db2.gz OYEPEBJHZVMIHE-IAQYHMDHSA-N 1 3 309.841 2.692 20 0 DFADHO C[C@H](Cc1ccc(Br)c(F)c1)NCC(C)(C)[NH3+] ZINC000414810938 428419903 /nfs/dbraw/zinc/41/99/03/428419903.db2.gz YLVYSQHKAMXDJV-SECBINFHSA-N 1 3 303.219 2.846 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000347049361 428425607 /nfs/dbraw/zinc/42/56/07/428425607.db2.gz WMJYZRVHBFEGPK-RDJZCZTQSA-N 1 3 319.493 2.881 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)N[C@H](C[NH3+])CC(C)C ZINC000414835784 428427411 /nfs/dbraw/zinc/42/74/11/428427411.db2.gz HUQLEIGGZSDTSW-ZBFHGGJFSA-N 1 3 305.466 2.929 20 0 DFADHO CN1CC=C(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000392196584 428481287 /nfs/dbraw/zinc/48/12/87/428481287.db2.gz DGQUMGAMOOATEW-HOTGVXAUSA-N 1 3 323.481 2.674 20 0 DFADHO CN1CC=C(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000392214158 428481731 /nfs/dbraw/zinc/48/17/31/428481731.db2.gz UCCWBBWQGPCPIE-UHFFFAOYSA-N 1 3 323.481 2.674 20 0 DFADHO c1ccc(OCC2CC2)c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415002533 428485034 /nfs/dbraw/zinc/48/50/34/428485034.db2.gz DUWZSOBHEXQAHQ-ZWKOTPCHSA-N 1 3 300.446 2.953 20 0 DFADHO COc1ccc([C@H](C)C[NH+]2CCC(N(C)C[C@@H](C)O)CC2)cc1 ZINC000342919313 428488669 /nfs/dbraw/zinc/48/86/69/428488669.db2.gz UCDJGASLHKXKLE-HZPDHXFCSA-N 1 3 320.477 2.576 20 0 DFADHO Cn1cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(C2CCCCC2)n1 ZINC000415014699 428491575 /nfs/dbraw/zinc/49/15/75/428491575.db2.gz XDPXLONUWQKSKJ-ZWKOTPCHSA-N 1 3 316.493 2.946 20 0 DFADHO [NH3+]C[C@H]1CC[C@@H](NCc2ccc(F)cc2Br)C1 ZINC000415037030 428496498 /nfs/dbraw/zinc/49/64/98/428496498.db2.gz LWAHWROISRXADK-JOYOIKCWSA-N 1 3 301.203 2.805 20 0 DFADHO CCOc1cccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415130291 428531283 /nfs/dbraw/zinc/53/12/83/428531283.db2.gz WSYMAXJYULTCAQ-PKOBYXMFSA-N 1 3 318.461 2.804 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415044262 428498814 /nfs/dbraw/zinc/49/88/14/428498814.db2.gz BOHNAUSXCKSNHZ-WBMJQRKESA-N 1 3 307.413 2.650 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c1C ZINC000415059046 428503499 /nfs/dbraw/zinc/50/34/99/428503499.db2.gz WUFDVKRMWXLHKH-SPYBWZPUSA-N 1 3 317.477 2.937 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)c1C ZINC000415059046 428503505 /nfs/dbraw/zinc/50/35/05/428503505.db2.gz WUFDVKRMWXLHKH-SPYBWZPUSA-N 1 3 317.477 2.937 20 0 DFADHO Fc1ccc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000415074884 428509375 /nfs/dbraw/zinc/50/93/75/428509375.db2.gz AYDBPFPXAXMCGG-NUEKZKHPSA-N 1 3 310.388 2.854 20 0 DFADHO C[C@@H](CC1CC1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397486493 428512332 /nfs/dbraw/zinc/51/23/32/428512332.db2.gz CKUWLJCXGTYOTR-INIZCTEOSA-N 1 3 302.462 2.792 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CCC1 ZINC000397588369 428512551 /nfs/dbraw/zinc/51/25/51/428512551.db2.gz KOUNXHTUYJKOMR-MRXNPFEDSA-N 1 3 302.462 2.792 20 0 DFADHO CC(C)C[C@H](N[C@@H](C)c1ccc(F)cc1)C(=O)NCC[NH+](C)C ZINC000347259211 428518317 /nfs/dbraw/zinc/51/83/17/428518317.db2.gz YIERGCSGNNTZMB-YOEHRIQHSA-N 1 3 323.456 2.569 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000398084369 428518872 /nfs/dbraw/zinc/51/88/72/428518872.db2.gz SXNMURRJYRLERS-RDJZCZTQSA-N 1 3 317.477 2.531 20 0 DFADHO C[N@@H+]1CC[C@H](NCCNC(=O)CC2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000353399711 428520883 /nfs/dbraw/zinc/52/08/83/428520883.db2.gz CUCXBABKKBHXPB-SQNIBIBYSA-N 1 3 321.509 2.535 20 0 DFADHO C[N@H+]1CC[C@H](NCCNC(=O)CC2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000353399711 428520885 /nfs/dbraw/zinc/52/08/85/428520885.db2.gz CUCXBABKKBHXPB-SQNIBIBYSA-N 1 3 321.509 2.535 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H]2CCC[C@@H]21 ZINC000353402439 428521607 /nfs/dbraw/zinc/52/16/07/428521607.db2.gz JACXNCVHVAXUKE-AABGKKOBSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)[C@H]2CCC[C@@H]21 ZINC000353402439 428521611 /nfs/dbraw/zinc/52/16/11/428521611.db2.gz JACXNCVHVAXUKE-AABGKKOBSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)[C@H]2CCC[C@@H]21 ZINC000353402439 428521612 /nfs/dbraw/zinc/52/16/12/428521612.db2.gz JACXNCVHVAXUKE-AABGKKOBSA-N 1 3 324.472 2.894 20 0 DFADHO C[C@H](Cc1ccccc1Br)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000415115309 428524672 /nfs/dbraw/zinc/52/46/72/428524672.db2.gz GXZPAHXQPDVPHB-DYEKYZERSA-N 1 3 311.267 2.968 20 0 DFADHO COc1ccc(C)cc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415119394 428525846 /nfs/dbraw/zinc/52/58/46/428525846.db2.gz FLVGXWHRYKXZSB-HKUYNNGSSA-N 1 3 318.461 2.722 20 0 DFADHO COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H](C)[C@@H](CN)C2)cc1F ZINC000415120002 428526379 /nfs/dbraw/zinc/52/63/79/428526379.db2.gz FQQDLQKCRMHQTP-DZKIICNBSA-N 1 3 308.441 2.930 20 0 DFADHO COc1ccc(C[C@H](C)C[N@H+]2CC[C@H](C)[C@@H](CN)C2)cc1F ZINC000415120002 428526384 /nfs/dbraw/zinc/52/63/84/428526384.db2.gz FQQDLQKCRMHQTP-DZKIICNBSA-N 1 3 308.441 2.930 20 0 DFADHO COc1ccc(C[C@H](C)CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000415120002 428526390 /nfs/dbraw/zinc/52/63/90/428526390.db2.gz FQQDLQKCRMHQTP-DZKIICNBSA-N 1 3 308.441 2.930 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390722036 428473848 /nfs/dbraw/zinc/47/38/48/428473848.db2.gz ZNCRZESJTLLCJC-FCFHUKJJSA-N 1 3 313.489 2.899 20 0 DFADHO CN[C@@H](C)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414973706 428478110 /nfs/dbraw/zinc/47/81/10/428478110.db2.gz KRMDDPWADQBUMR-LBPRGKRZSA-N 1 3 313.848 2.641 20 0 DFADHO C[NH2+][C@@H](C)CNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414973706 428478116 /nfs/dbraw/zinc/47/81/16/428478116.db2.gz KRMDDPWADQBUMR-LBPRGKRZSA-N 1 3 313.848 2.641 20 0 DFADHO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000373459575 428581506 /nfs/dbraw/zinc/58/15/06/428581506.db2.gz MORRMPVTZXFSCF-LNLFQRSKSA-N 1 3 305.510 2.737 20 0 DFADHO CC[C@H](C)[C@H](C)N(CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000358197876 428587488 /nfs/dbraw/zinc/58/74/88/428587488.db2.gz ONAVALFEURKSSZ-HOTGVXAUSA-N 1 3 323.525 2.874 20 0 DFADHO C[C@@H]1CC[C@@H]([NH2+]CC2=CCN(C)CC2)CN1C(=O)OC(C)(C)C ZINC000399050122 428532265 /nfs/dbraw/zinc/53/22/65/428532265.db2.gz UTIOBKHBNLDFEB-GDBMZVCRSA-N 1 3 323.481 2.626 20 0 DFADHO [NH3+]CC1(O)CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000415143507 428537375 /nfs/dbraw/zinc/53/73/75/428537375.db2.gz SJDATYGKZQLVAW-UHFFFAOYSA-N 1 3 320.433 2.840 20 0 DFADHO C[C@H](C[NH2+]C1CCN(c2nccs2)CC1)CN1CCCCC1 ZINC000373288056 428541044 /nfs/dbraw/zinc/54/10/44/428541044.db2.gz LFJCELGBZMAFIE-OAHLLOKOSA-N 1 3 322.522 2.824 20 0 DFADHO CC1CCN(CCC[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000373297200 428541522 /nfs/dbraw/zinc/54/15/22/428541522.db2.gz VDBOULNFPFXCMT-UHFFFAOYSA-N 1 3 322.522 2.824 20 0 DFADHO COCCOc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353451523 428543448 /nfs/dbraw/zinc/54/34/48/428543448.db2.gz AEHZIOKUICFJSP-QRVBRYPASA-N 1 3 318.461 2.674 20 0 DFADHO COCCOc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353451523 428543450 /nfs/dbraw/zinc/54/34/50/428543450.db2.gz AEHZIOKUICFJSP-QRVBRYPASA-N 1 3 318.461 2.674 20 0 DFADHO COCCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000353451523 428543455 /nfs/dbraw/zinc/54/34/55/428543455.db2.gz AEHZIOKUICFJSP-QRVBRYPASA-N 1 3 318.461 2.674 20 0 DFADHO C[C@H](NC[C@@]1(C)CCCN1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400811611 428548996 /nfs/dbraw/zinc/54/89/96/428548996.db2.gz YNKPJQDKDIJFAV-QXAKKESOSA-N 1 3 301.478 2.771 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000361310528 428555228 /nfs/dbraw/zinc/55/52/28/428555228.db2.gz TUZLURCSAPJHPC-GUDVDZBRSA-N 1 3 302.462 2.975 20 0 DFADHO NC1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCCC1 ZINC000361727012 428594356 /nfs/dbraw/zinc/59/43/56/428594356.db2.gz KDEXAVXQRMMNLP-UHFFFAOYSA-N 1 3 321.509 2.809 20 0 DFADHO C[C@@H]1CCCN(CCC(=O)Nc2ccccc2F)[C@@H]1CC[NH3+] ZINC000404287495 428564798 /nfs/dbraw/zinc/56/47/98/428564798.db2.gz ITFIGQWOZKVERA-CZUORRHYSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)[C@@H]1CCN ZINC000404287495 428564804 /nfs/dbraw/zinc/56/48/04/428564804.db2.gz ITFIGQWOZKVERA-CZUORRHYSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)[C@@H]1CCN ZINC000404287495 428564807 /nfs/dbraw/zinc/56/48/07/428564807.db2.gz ITFIGQWOZKVERA-CZUORRHYSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@@H]1CCCN(CCC(=O)Nc2ccccc2F)[C@H]1CC[NH3+] ZINC000404287492 428564824 /nfs/dbraw/zinc/56/48/24/428564824.db2.gz ITFIGQWOZKVERA-CJNGLKHVSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)[C@H]1CCN ZINC000404287492 428564828 /nfs/dbraw/zinc/56/48/28/428564828.db2.gz ITFIGQWOZKVERA-CJNGLKHVSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)[C@H]1CCN ZINC000404287492 428564833 /nfs/dbraw/zinc/56/48/33/428564833.db2.gz ITFIGQWOZKVERA-CJNGLKHVSA-N 1 3 307.413 2.604 20 0 DFADHO CC(C)n1ncc2c1C[C@H](N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000358018498 428577016 /nfs/dbraw/zinc/57/70/16/428577016.db2.gz AWJMHFUEKGCHGY-ZACQAIPSSA-N 1 3 302.466 2.538 20 0 DFADHO CC(C)n1ncc2c1C[C@H](N[C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000358018498 428577022 /nfs/dbraw/zinc/57/70/22/428577022.db2.gz AWJMHFUEKGCHGY-ZACQAIPSSA-N 1 3 302.466 2.538 20 0 DFADHO CN(C)CCOC1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000353523672 428578848 /nfs/dbraw/zinc/57/88/48/428578848.db2.gz YDPNRPBIDALSAJ-UHFFFAOYSA-N 1 3 301.434 2.711 20 0 DFADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358705420 428634106 /nfs/dbraw/zinc/63/41/06/428634106.db2.gz MFZJSFBRVPMQGE-IRXDYDNUSA-N 1 3 323.525 2.735 20 0 DFADHO CN(CCCN(C)Cc1ccc(F)cc1Cl)CC[NH+](C)C ZINC000344032203 428613019 /nfs/dbraw/zinc/61/30/19/428613019.db2.gz PRYHYBZOZJZHSU-UHFFFAOYSA-N 1 3 315.864 2.794 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344038032 428613950 /nfs/dbraw/zinc/61/39/50/428613950.db2.gz YYIFGDNIOGNVIE-HNNXBMFYSA-N 1 3 323.481 2.727 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccccc1CNC ZINC000415901848 428621916 /nfs/dbraw/zinc/62/19/16/428621916.db2.gz NNXSACHIBLOVRQ-CQSZACIVSA-N 1 3 306.454 2.648 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccccc1CNC ZINC000415901848 428621919 /nfs/dbraw/zinc/62/19/19/428621919.db2.gz NNXSACHIBLOVRQ-CQSZACIVSA-N 1 3 306.454 2.648 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000415920734 428627146 /nfs/dbraw/zinc/62/71/46/428627146.db2.gz PGYHBMBEPBJTCN-AWEZNQCLSA-N 1 3 316.449 2.568 20 0 DFADHO COc1cccc(COCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000353629468 428631228 /nfs/dbraw/zinc/63/12/28/428631228.db2.gz FZDCIJNGKKMXPV-QRVBRYPASA-N 1 3 318.461 2.674 20 0 DFADHO COc1cccc(COCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353629468 428631233 /nfs/dbraw/zinc/63/12/33/428631233.db2.gz FZDCIJNGKKMXPV-QRVBRYPASA-N 1 3 318.461 2.674 20 0 DFADHO COc1cccc(COCCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353629468 428631236 /nfs/dbraw/zinc/63/12/36/428631236.db2.gz FZDCIJNGKKMXPV-QRVBRYPASA-N 1 3 318.461 2.674 20 0 DFADHO CC[N@H+](CCC1CCN(CCN2CCCC2=O)CC1)CC(C)C ZINC000358738076 428650654 /nfs/dbraw/zinc/65/06/54/428650654.db2.gz RNEHNJWNMXGVPQ-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO CC[N@@H+](CCC1CCN(CCN2CCCC2=O)CC1)CC(C)C ZINC000358738076 428650660 /nfs/dbraw/zinc/65/06/60/428650660.db2.gz RNEHNJWNMXGVPQ-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO COc1ccc2c(c1)[C@H](NCCC[NH+]1CCC(O)CC1)CCC2 ZINC000268807778 274135769 /nfs/dbraw/zinc/13/57/69/274135769.db2.gz DADFCPWVHZXXKC-LJQANCHMSA-N 1 3 318.461 2.509 20 0 DFADHO CC(C)OC(=O)C[C@H]1CCC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000362194715 428658104 /nfs/dbraw/zinc/65/81/04/428658104.db2.gz KBAJWKWKMDVAOD-SJORKVTESA-N 1 3 310.482 2.915 20 0 DFADHO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000362194715 428658108 /nfs/dbraw/zinc/65/81/08/428658108.db2.gz KBAJWKWKMDVAOD-SJORKVTESA-N 1 3 310.482 2.915 20 0 DFADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H](C1CC1)N1CCCC1 ZINC000353678483 428655509 /nfs/dbraw/zinc/65/55/09/428655509.db2.gz MWVAKVRTPAJJPL-SFHVURJKSA-N 1 3 321.509 2.584 20 0 DFADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H](C1CC1)N1CCCC1 ZINC000353678483 428655515 /nfs/dbraw/zinc/65/55/15/428655515.db2.gz MWVAKVRTPAJJPL-SFHVURJKSA-N 1 3 321.509 2.584 20 0 DFADHO C(CCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)CC1CCOCC1 ZINC000374155070 428666169 /nfs/dbraw/zinc/66/61/69/428666169.db2.gz AASQGWCNUYWOPP-QYZOEREBSA-N 1 3 306.494 2.999 20 0 DFADHO C(CCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)CC1CCOCC1 ZINC000374155070 428666174 /nfs/dbraw/zinc/66/61/74/428666174.db2.gz AASQGWCNUYWOPP-QYZOEREBSA-N 1 3 306.494 2.999 20 0 DFADHO C[N@H+](C[C@@H]1CC12CCN(CCOCC(F)(F)F)CC2)C1CC1 ZINC000374298139 428672573 /nfs/dbraw/zinc/67/25/73/428672573.db2.gz UARKGAPNRLNHIK-ZDUSSCGKSA-N 1 3 320.399 2.762 20 0 DFADHO C[N@@H+](C[C@@H]1CC12CCN(CCOCC(F)(F)F)CC2)C1CC1 ZINC000374298139 428672574 /nfs/dbraw/zinc/67/25/74/428672574.db2.gz UARKGAPNRLNHIK-ZDUSSCGKSA-N 1 3 320.399 2.762 20 0 DFADHO CC(C)[N@H+](C)CCCNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416130397 428673041 /nfs/dbraw/zinc/67/30/41/428673041.db2.gz IRBYRBXABULZQG-QGZVFWFLSA-N 1 3 305.466 2.526 20 0 DFADHO CC(C)[N@@H+](C)CCCNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416130397 428673044 /nfs/dbraw/zinc/67/30/44/428673044.db2.gz IRBYRBXABULZQG-QGZVFWFLSA-N 1 3 305.466 2.526 20 0 DFADHO CC1CC[NH+](C2CCC(NCc3cnc(N)s3)CC2)CC1 ZINC000344836379 428709436 /nfs/dbraw/zinc/70/94/36/428709436.db2.gz JVUSGABAHWEUCV-UHFFFAOYSA-N 1 3 308.495 2.858 20 0 DFADHO COc1cc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1F ZINC000348355951 428717825 /nfs/dbraw/zinc/71/78/25/428717825.db2.gz NDDBVBQKZCSLHP-AWEZNQCLSA-N 1 3 323.456 2.511 20 0 DFADHO CCn1cc(CC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cn1 ZINC000348376062 428726518 /nfs/dbraw/zinc/72/65/18/428726518.db2.gz IYCRZYZPQBZYMN-NVXWUHKLSA-N 1 3 304.482 2.688 20 0 DFADHO CCn1cc(CCN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000348376062 428726522 /nfs/dbraw/zinc/72/65/22/428726522.db2.gz IYCRZYZPQBZYMN-NVXWUHKLSA-N 1 3 304.482 2.688 20 0 DFADHO CCn1cc(CCN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000348376062 428726530 /nfs/dbraw/zinc/72/65/30/428726530.db2.gz IYCRZYZPQBZYMN-NVXWUHKLSA-N 1 3 304.482 2.688 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCN[C@@H]2CCCc3nn(C)cc32)C1 ZINC000358913646 428729249 /nfs/dbraw/zinc/72/92/49/428729249.db2.gz ITHXXKCDUWAVNH-DOTOQJQBSA-N 1 3 304.482 2.899 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCN[C@@H]2CCCc3nn(C)cc32)C1 ZINC000358913646 428729254 /nfs/dbraw/zinc/72/92/54/428729254.db2.gz ITHXXKCDUWAVNH-DOTOQJQBSA-N 1 3 304.482 2.899 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H]1CSCCc2ccccc21 ZINC000348254122 428679779 /nfs/dbraw/zinc/67/97/79/428679779.db2.gz MNFCZMLDHCQTFA-GOSISDBHSA-N 1 3 322.518 2.965 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000348258320 428681415 /nfs/dbraw/zinc/68/14/15/428681415.db2.gz AARYFQJTLCBBMX-QGZVKYPTSA-N 1 3 315.505 2.969 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNC/C=C\c2ccc(F)cc2)CC1 ZINC000344636454 428686585 /nfs/dbraw/zinc/68/65/85/428686585.db2.gz GOAYLKZVGBNFSR-ARJAWSKDSA-N 1 3 306.425 2.664 20 0 DFADHO CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)N1CCCCC1 ZINC000358819912 428689588 /nfs/dbraw/zinc/68/95/88/428689588.db2.gz RYKVUMAVYVNTIY-MSOLQXFVSA-N 1 3 323.525 2.878 20 0 DFADHO CC(C)[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)N1CCCCC1 ZINC000358819912 428689595 /nfs/dbraw/zinc/68/95/95/428689595.db2.gz RYKVUMAVYVNTIY-MSOLQXFVSA-N 1 3 323.525 2.878 20 0 DFADHO Cc1nn(Cc2ccccc2)c(C)c1CNCC1=CC[N@H+](C)CC1 ZINC000345137307 428767257 /nfs/dbraw/zinc/76/72/57/428767257.db2.gz GJORVEXEUBFJSX-UHFFFAOYSA-N 1 3 324.472 2.900 20 0 DFADHO Cc1nn(Cc2ccccc2)c(C)c1CNCC1=CC[N@@H+](C)CC1 ZINC000345137307 428767262 /nfs/dbraw/zinc/76/72/62/428767262.db2.gz GJORVEXEUBFJSX-UHFFFAOYSA-N 1 3 324.472 2.900 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CCC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000411313158 428775167 /nfs/dbraw/zinc/77/51/67/428775167.db2.gz XCJBUFZWZQFAMN-CALCHBBNSA-N 1 3 324.509 2.503 20 0 DFADHO C[N@H+]1CC=C(CNCc2cnc(-c3ccccn3)s2)CC1 ZINC000345172681 428783599 /nfs/dbraw/zinc/78/35/99/428783599.db2.gz LGJNNCHPTWEHDH-UHFFFAOYSA-N 1 3 300.431 2.557 20 0 DFADHO C[N@@H+]1CC=C(CNCc2cnc(-c3ccccn3)s2)CC1 ZINC000345172681 428783606 /nfs/dbraw/zinc/78/36/06/428783606.db2.gz LGJNNCHPTWEHDH-UHFFFAOYSA-N 1 3 300.431 2.557 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCN2C[C@H](C)C[C@H](C)C2)[C@H]1C ZINC000353934842 428784267 /nfs/dbraw/zinc/78/42/67/428784267.db2.gz YOZOQGHNYIHICC-ADHGMGHFSA-N 1 3 324.509 2.922 20 0 DFADHO CC(CCN1C[C@@H](C)O[C@@H](C)C1)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000411127035 428743763 /nfs/dbraw/zinc/74/37/63/428743763.db2.gz PGQHSZITKJQJJM-USTZCAOPSA-N 1 3 312.498 2.621 20 0 DFADHO COC(=O)[C@H](C)CN(C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411169965 428752287 /nfs/dbraw/zinc/75/22/87/428752287.db2.gz FZLDIQMHVTWYTN-MRXNPFEDSA-N 1 3 318.461 2.913 20 0 DFADHO CC[C@H]1C[N@H+](Cc2cccc(CN3CCCCC3)c2)C[C@H]1O ZINC000411424752 428796784 /nfs/dbraw/zinc/79/67/84/428796784.db2.gz NQEVYSYXPWYKJI-RBUKOAKNSA-N 1 3 302.462 2.875 20 0 DFADHO CC[C@H]1C[N@@H+](Cc2cccc(CN3CCCCC3)c2)C[C@H]1O ZINC000411424752 428796788 /nfs/dbraw/zinc/79/67/88/428796788.db2.gz NQEVYSYXPWYKJI-RBUKOAKNSA-N 1 3 302.462 2.875 20 0 DFADHO CC[C@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000411424752 428796791 /nfs/dbraw/zinc/79/67/91/428796791.db2.gz NQEVYSYXPWYKJI-RBUKOAKNSA-N 1 3 302.462 2.875 20 0 DFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)N(CC)CC ZINC000345198835 428797254 /nfs/dbraw/zinc/79/72/54/428797254.db2.gz BGEHPKYAUZARKO-IRXDYDNUSA-N 1 3 311.514 2.878 20 0 DFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)N(CC)CC ZINC000345198835 428797260 /nfs/dbraw/zinc/79/72/60/428797260.db2.gz BGEHPKYAUZARKO-IRXDYDNUSA-N 1 3 311.514 2.878 20 0 DFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000362646446 428797354 /nfs/dbraw/zinc/79/73/54/428797354.db2.gz KPBHFNOFZDZPFP-ROUUACIJSA-N 1 3 323.525 2.591 20 0 DFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000362646446 428797362 /nfs/dbraw/zinc/79/73/62/428797362.db2.gz KPBHFNOFZDZPFP-ROUUACIJSA-N 1 3 323.525 2.591 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCOCCOc2ccccc2)[C@@H](C)C1 ZINC000348632261 428800308 /nfs/dbraw/zinc/80/03/08/428800308.db2.gz DFJGFABXWKSDRY-HKUYNNGSSA-N 1 3 320.477 2.744 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCOCCOc2ccccc2)[C@@H](C)C1 ZINC000348632261 428800311 /nfs/dbraw/zinc/80/03/11/428800311.db2.gz DFJGFABXWKSDRY-HKUYNNGSSA-N 1 3 320.477 2.744 20 0 DFADHO C[C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000411456174 428800811 /nfs/dbraw/zinc/80/08/11/428800811.db2.gz YWZMTACGGRYDPS-APWZRJJASA-N 1 3 302.462 2.875 20 0 DFADHO C[C@@H](O)[C@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411500029 428806217 /nfs/dbraw/zinc/80/62/17/428806217.db2.gz SAWHBKUKCGMVGV-APWZRJJASA-N 1 3 302.462 2.875 20 0 DFADHO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411500029 428806222 /nfs/dbraw/zinc/80/62/22/428806222.db2.gz SAWHBKUKCGMVGV-APWZRJJASA-N 1 3 302.462 2.875 20 0 DFADHO C[C@H](O)[C@@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411500034 428808790 /nfs/dbraw/zinc/80/87/90/428808790.db2.gz SAWHBKUKCGMVGV-QFBILLFUSA-N 1 3 302.462 2.875 20 0 DFADHO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411500034 428808794 /nfs/dbraw/zinc/80/87/94/428808794.db2.gz SAWHBKUKCGMVGV-QFBILLFUSA-N 1 3 302.462 2.875 20 0 DFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000362894790 428811221 /nfs/dbraw/zinc/81/12/21/428811221.db2.gz RBFFZPXRRIRXBG-INIZCTEOSA-N 1 3 317.477 2.552 20 0 DFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000362894790 428811225 /nfs/dbraw/zinc/81/12/25/428811225.db2.gz RBFFZPXRRIRXBG-INIZCTEOSA-N 1 3 317.477 2.552 20 0 DFADHO C[C@@H](NCCC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411515679 428811223 /nfs/dbraw/zinc/81/12/23/428811223.db2.gz IGFCAYXGLBPHAQ-HUUCEWRRSA-N 1 3 310.482 2.961 20 0 DFADHO C[C@@H](NCCC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411515679 428811227 /nfs/dbraw/zinc/81/12/27/428811227.db2.gz IGFCAYXGLBPHAQ-HUUCEWRRSA-N 1 3 310.482 2.961 20 0 DFADHO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000411515679 428811231 /nfs/dbraw/zinc/81/12/31/428811231.db2.gz IGFCAYXGLBPHAQ-HUUCEWRRSA-N 1 3 310.482 2.961 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000348684340 428812778 /nfs/dbraw/zinc/81/27/78/428812778.db2.gz PDHPZPWCAZKGKT-IPELMVKDSA-N 1 3 320.477 2.971 20 0 DFADHO CC(C)(C)c1ccc(CCNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000359100692 428816002 /nfs/dbraw/zinc/81/60/02/428816002.db2.gz XORMDMSGDMXEBW-GOSISDBHSA-N 1 3 304.478 2.573 20 0 DFADHO C[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC[C@H]1O ZINC000411568507 428819709 /nfs/dbraw/zinc/81/97/09/428819709.db2.gz LBKIJANSAYASSG-VQIMIIECSA-N 1 3 302.462 2.875 20 0 DFADHO CN1CC[NH+](CC2(C)CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000375234762 428829672 /nfs/dbraw/zinc/82/96/72/428829672.db2.gz UBHGPGYGDWMCGT-UHFFFAOYSA-N 1 3 319.468 2.675 20 0 DFADHO CC1(C)CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1O ZINC000411675632 428839949 /nfs/dbraw/zinc/83/99/49/428839949.db2.gz PELYZNJWPVKORP-GOSISDBHSA-N 1 3 302.462 2.875 20 0 DFADHO C[C@H]1C[C@@H]1c1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000349059422 428909736 /nfs/dbraw/zinc/90/97/36/428909736.db2.gz BMDHZSGKWGWSHM-YJBOKZPZSA-N 1 3 319.493 2.861 20 0 DFADHO CC(C)[C@@H](C(=O)NCC1(C[NH+](C)C)CCCC1)N1CCCCC1 ZINC000354083120 428854252 /nfs/dbraw/zinc/85/42/52/428854252.db2.gz MKFBSKJJORJHRV-KRWDZBQOSA-N 1 3 323.525 2.735 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)N(C)C ZINC000363092884 428855433 /nfs/dbraw/zinc/85/54/33/428855433.db2.gz PLWZGMGIZUEYQI-GOSISDBHSA-N 1 3 323.525 2.543 20 0 DFADHO CCCN1CCN(c2ccccc2C[N@H+](C)C[C@@H](C)OC)CC1 ZINC000348833959 428855478 /nfs/dbraw/zinc/85/54/78/428855478.db2.gz ONNJZOXESXBIOA-QGZVFWFLSA-N 1 3 319.493 2.685 20 0 DFADHO CCCN1CCN(c2ccccc2C[N@@H+](C)C[C@@H](C)OC)CC1 ZINC000348833959 428855484 /nfs/dbraw/zinc/85/54/84/428855484.db2.gz ONNJZOXESXBIOA-QGZVFWFLSA-N 1 3 319.493 2.685 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000349034677 428904144 /nfs/dbraw/zinc/90/41/44/428904144.db2.gz FCOHKGKIJWVMFQ-ICSRJNTNSA-N 1 3 315.505 2.748 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000349034677 428904151 /nfs/dbraw/zinc/90/41/51/428904151.db2.gz FCOHKGKIJWVMFQ-ICSRJNTNSA-N 1 3 315.505 2.748 20 0 DFADHO OCc1ccccc1C1CC[NH+](CCCN2CCCC2)CC1 ZINC000375569211 428912389 /nfs/dbraw/zinc/91/23/89/428912389.db2.gz GZFBDHGWOOYTOK-UHFFFAOYSA-N 1 3 302.462 2.844 20 0 DFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000345583368 428946069 /nfs/dbraw/zinc/94/60/69/428946069.db2.gz IBPVZPCKVKHODN-HNNXBMFYSA-N 1 3 317.477 2.551 20 0 DFADHO Cc1cnn(CC[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000375748403 428960831 /nfs/dbraw/zinc/96/08/31/428960831.db2.gz YRRWMRBLDZDOBE-FQEVSTJZSA-N 1 3 324.472 2.790 20 0 DFADHO Cc1cnn(CC[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000375748403 428960833 /nfs/dbraw/zinc/96/08/33/428960833.db2.gz YRRWMRBLDZDOBE-FQEVSTJZSA-N 1 3 324.472 2.790 20 0 DFADHO c1ccc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccncn2)cc1 ZINC000423555608 428970987 /nfs/dbraw/zinc/97/09/87/428970987.db2.gz YDIDKHCMOWLYNC-MTNOOBJLSA-N 1 3 308.429 2.544 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000423778305 429017428 /nfs/dbraw/zinc/01/74/28/429017428.db2.gz CRNPVEBUSMHQTQ-DOTOQJQBSA-N 1 3 303.450 2.903 20 0 DFADHO C[C@H]1CCN[C@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000423782580 429018091 /nfs/dbraw/zinc/01/80/91/429018091.db2.gz ZIQBWACLHFSHGZ-YJBOKZPZSA-N 1 3 315.461 2.652 20 0 DFADHO C[C@H](CNC(=O)c1ccccc1CN(C)C)C[NH+]1CCCCC1 ZINC000433302798 429020995 /nfs/dbraw/zinc/02/09/95/429020995.db2.gz JMMTVPDMAIFOGH-MRXNPFEDSA-N 1 3 317.477 2.600 20 0 DFADHO CCCN1CCN(C2CC[NH+](CCSC(C)C)CC2)CC1 ZINC000375965332 429030195 /nfs/dbraw/zinc/03/01/95/429030195.db2.gz XGPAKJFCEWFYRN-UHFFFAOYSA-N 1 3 313.555 2.620 20 0 DFADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000423579893 428976011 /nfs/dbraw/zinc/97/60/11/428976011.db2.gz WVFURDQEOJAFDM-KRWDZBQOSA-N 1 3 324.472 2.726 20 0 DFADHO C[C@@H](C(=O)N(CCN(C)C)C1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412198405 428980354 /nfs/dbraw/zinc/98/03/54/428980354.db2.gz WRWVOMBUJYKTKI-XHSDSOJGSA-N 1 3 309.498 2.581 20 0 DFADHO C[C@@H](C(=O)N(CCN(C)C)C1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412198405 428980359 /nfs/dbraw/zinc/98/03/59/428980359.db2.gz WRWVOMBUJYKTKI-XHSDSOJGSA-N 1 3 309.498 2.581 20 0 DFADHO CCC[C@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)N(C)C ZINC000423612804 428983379 /nfs/dbraw/zinc/98/33/79/428983379.db2.gz OQXUKCFTGFVGAG-ZWKOTPCHSA-N 1 3 313.445 2.686 20 0 DFADHO Cc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000363790796 428995407 /nfs/dbraw/zinc/99/54/07/428995407.db2.gz GPOGGUXUNYOAIJ-UHFFFAOYSA-N 1 3 315.505 2.845 20 0 DFADHO CC(C)[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)N1CCCCC1 ZINC000354579830 428998398 /nfs/dbraw/zinc/99/83/98/428998398.db2.gz PHKNBMYFPPFDAL-KRWDZBQOSA-N 1 3 323.525 2.876 20 0 DFADHO CC(C)[C@@H](C[NH3+])C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000433129437 428998902 /nfs/dbraw/zinc/99/89/02/428998902.db2.gz NXYPMLCBJJZJPP-MAUKXSAKSA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)N1CCCCC1 ZINC000354736549 429007172 /nfs/dbraw/zinc/00/71/72/429007172.db2.gz SOHVPCPWOQZONQ-SQNIBIBYSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)N1CCCCC1 ZINC000354736549 429007175 /nfs/dbraw/zinc/00/71/75/429007175.db2.gz SOHVPCPWOQZONQ-SQNIBIBYSA-N 1 3 323.525 2.734 20 0 DFADHO Cc1ccnc(C2CC[NH+](CC[C@@H]3CCCCN3C)CC2)n1 ZINC000376295850 429091144 /nfs/dbraw/zinc/09/11/44/429091144.db2.gz JJVMSBFHVGWJOB-KRWDZBQOSA-N 1 3 302.466 2.839 20 0 DFADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000423469290 429092325 /nfs/dbraw/zinc/09/23/25/429092325.db2.gz OTVDVGBLEYJNJB-SKDRFNHKSA-N 1 3 318.202 2.679 20 0 DFADHO Cc1c([C@H](C)N[C@@H]2CC[C@@H](C[NH3+])C2)nnn1-c1ccc(C)cc1 ZINC000423486327 429096556 /nfs/dbraw/zinc/09/65/56/429096556.db2.gz BUGDYNOZKUSXRU-NUEKZKHPSA-N 1 3 313.449 2.662 20 0 DFADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423278040 429055978 /nfs/dbraw/zinc/05/59/78/429055978.db2.gz QKAYFJYRXGVGST-WBMJQRKESA-N 1 3 304.438 2.604 20 0 DFADHO FC(F)(F)[C@@H]1C[C@@H]([NH2+]CCNC2CCCCCC2)CCO1 ZINC000423280542 429056040 /nfs/dbraw/zinc/05/60/40/429056040.db2.gz SWGLMQOIYDDSPC-KBPBESRZSA-N 1 3 308.388 2.998 20 0 DFADHO COc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cc1NC(C)=O ZINC000423277533 429056406 /nfs/dbraw/zinc/05/64/06/429056406.db2.gz OJVWDKZIBYGVQG-MAZHCROVSA-N 1 3 319.449 2.822 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423284749 429057436 /nfs/dbraw/zinc/05/74/36/429057436.db2.gz YHNZGBVVRDQLDU-JLJPHGGASA-N 1 3 301.434 2.591 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)N)c1ccc(I)cc1 ZINC000423288129 429058138 /nfs/dbraw/zinc/05/81/38/429058138.db2.gz QQPVLQKDRCTIDR-SECBINFHSA-N 1 3 318.202 2.679 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000423309589 429059510 /nfs/dbraw/zinc/05/95/10/429059510.db2.gz QGVOFFCCGMCCCI-KXBFYZLASA-N 1 3 323.440 2.711 20 0 DFADHO CCCC[C@@H](CN)[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000423303156 429061022 /nfs/dbraw/zinc/06/10/22/429061022.db2.gz WQRTWWINDNUKAG-DOMZBBRYSA-N 1 3 307.438 2.822 20 0 DFADHO CC[C@H]([NH3+])CN[C@@H](C)Cc1ccc(F)cc1Br ZINC000423486630 429097023 /nfs/dbraw/zinc/09/70/23/429097023.db2.gz ZUBLUQHYLWLPOI-CABZTGNLSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@@H](Cc1ccc(F)cc1Br)NC[C@H]([NH3+])C1CC1 ZINC000423311550 429063883 /nfs/dbraw/zinc/06/38/83/429063883.db2.gz BYPNQQKDWJNTJA-XPTSAGLGSA-N 1 3 315.230 2.846 20 0 DFADHO Brc1ccccc1C[C@H](NCC1C[NH2+]C1)C1CC1 ZINC000423323109 429065968 /nfs/dbraw/zinc/06/59/68/429065968.db2.gz OHJGUQBKSWNBSP-HNNXBMFYSA-N 1 3 309.251 2.579 20 0 DFADHO Brc1ccccc1C[C@H]([NH2+]CC1CNC1)C1CC1 ZINC000423323109 429065971 /nfs/dbraw/zinc/06/59/71/429065971.db2.gz OHJGUQBKSWNBSP-HNNXBMFYSA-N 1 3 309.251 2.579 20 0 DFADHO C[C@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)N1CCCCCC1 ZINC000423967441 429066561 /nfs/dbraw/zinc/06/65/61/429066561.db2.gz JJMWFKARQZPILE-SJLPKXTDSA-N 1 3 317.477 2.847 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1)C1CC1 ZINC000423966563 429066893 /nfs/dbraw/zinc/06/68/93/429066893.db2.gz ZNMFQTJYTYZFAY-KRWDZBQOSA-N 1 3 317.477 2.774 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)c2ccccc2)cc1 ZINC000423368525 429074205 /nfs/dbraw/zinc/07/42/05/429074205.db2.gz ZYPAOHOQAGQUBV-OAHLLOKOSA-N 1 3 311.429 2.915 20 0 DFADHO CN1CC[C@@H](C[N@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000434183430 429075907 /nfs/dbraw/zinc/07/59/07/429075907.db2.gz NHKLKGBBSGAJMY-IEBWSBKVSA-N 1 3 318.461 2.628 20 0 DFADHO CN1CC[C@@H](C[N@@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000434183430 429075910 /nfs/dbraw/zinc/07/59/10/429075910.db2.gz NHKLKGBBSGAJMY-IEBWSBKVSA-N 1 3 318.461 2.628 20 0 DFADHO CC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000423383083 429077163 /nfs/dbraw/zinc/07/71/63/429077163.db2.gz GNAWWEZNLCNDFC-STQMWFEESA-N 1 3 321.412 2.625 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452169988 429077708 /nfs/dbraw/zinc/07/77/08/429077708.db2.gz HLJTVEQFFHETLI-QGZVFWFLSA-N 1 3 323.525 2.831 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)c2ccccc21 ZINC000423391988 429079285 /nfs/dbraw/zinc/07/92/85/429079285.db2.gz XGBNAOGMIXEFOT-JFTQMJAMSA-N 1 3 316.445 2.898 20 0 DFADHO CCC[N@H+](CC)CCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423433185 429086482 /nfs/dbraw/zinc/08/64/82/429086482.db2.gz MZNJMTDPJIEIJF-MRXNPFEDSA-N 1 3 305.466 2.561 20 0 DFADHO CCC[N@@H+](CC)CCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423433185 429086486 /nfs/dbraw/zinc/08/64/86/429086486.db2.gz MZNJMTDPJIEIJF-MRXNPFEDSA-N 1 3 305.466 2.561 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000424434497 429143357 /nfs/dbraw/zinc/14/33/57/429143357.db2.gz JXUDUNOTCQROEN-OAHLLOKOSA-N 1 3 318.465 2.553 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000424434497 429143363 /nfs/dbraw/zinc/14/33/63/429143363.db2.gz JXUDUNOTCQROEN-OAHLLOKOSA-N 1 3 318.465 2.553 20 0 DFADHO c1n[nH]c2c1CC[C@H]([NH2+]C1CCN(Cc3ccccc3)CC1)C2 ZINC000363936532 429143571 /nfs/dbraw/zinc/14/35/71/429143571.db2.gz HDXAGISCBQMJNO-SFHVURJKSA-N 1 3 310.445 2.521 20 0 DFADHO COc1cc2nccc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2cc1OC ZINC000413155890 429151515 /nfs/dbraw/zinc/15/15/15/429151515.db2.gz DEBISQVIXFQRIF-CHWSQXEVSA-N 1 3 315.417 2.569 20 0 DFADHO COc1cc2nccc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2cc1OC ZINC000413155890 429151519 /nfs/dbraw/zinc/15/15/19/429151519.db2.gz DEBISQVIXFQRIF-CHWSQXEVSA-N 1 3 315.417 2.569 20 0 DFADHO CCN(CCC(=O)Nc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435619910 429152676 /nfs/dbraw/zinc/15/26/76/429152676.db2.gz XMQZDGUIDWGWAR-MRXNPFEDSA-N 1 3 307.413 2.618 20 0 DFADHO CC[N@H+](CCC(=O)Nc1ccc(F)cc1)[C@@H]1CCCNCC1 ZINC000435619910 429152679 /nfs/dbraw/zinc/15/26/79/429152679.db2.gz XMQZDGUIDWGWAR-MRXNPFEDSA-N 1 3 307.413 2.618 20 0 DFADHO CC[N@@H+](CCC(=O)Nc1ccc(F)cc1)[C@@H]1CCCNCC1 ZINC000435619910 429152684 /nfs/dbraw/zinc/15/26/84/429152684.db2.gz XMQZDGUIDWGWAR-MRXNPFEDSA-N 1 3 307.413 2.618 20 0 DFADHO CCN(CCc1nc2ccccc2n1C)[C@@H]1CCC[NH2+]CC1 ZINC000435628080 429155028 /nfs/dbraw/zinc/15/50/28/429155028.db2.gz UAZXQEAWZTVHOV-OAHLLOKOSA-N 1 3 300.450 2.580 20 0 DFADHO CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@H]1CCN(C2CC2)C1 ZINC000424141376 429099140 /nfs/dbraw/zinc/09/91/40/429099140.db2.gz CKNXYJYJXRAVNG-WMZOPIPTSA-N 1 3 321.509 2.759 20 0 DFADHO Clc1ccccc1C[C@H]([NH2+]C[C@H]1CNCCCO1)C1CC1 ZINC000423496730 429100019 /nfs/dbraw/zinc/10/00/19/429100019.db2.gz XKFJDVBSEPISLR-WBVHZDCISA-N 1 3 308.853 2.629 20 0 DFADHO Clc1ccccc1C[C@H](NC[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000423496730 429100023 /nfs/dbraw/zinc/10/00/23/429100023.db2.gz XKFJDVBSEPISLR-WBVHZDCISA-N 1 3 308.853 2.629 20 0 DFADHO Cn1nccc1[C@H]1CCC[C@@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)C1 ZINC000423506513 429103594 /nfs/dbraw/zinc/10/35/94/429103594.db2.gz HWMWKTUQTWYHHA-ZSYWTGECSA-N 1 3 324.472 2.792 20 0 DFADHO CCc1ccccc1[C@H](N)CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423508871 429104130 /nfs/dbraw/zinc/10/41/30/429104130.db2.gz QZJIAEYKSYORBB-WJFTUGDTSA-N 1 3 301.478 2.711 20 0 DFADHO CCc1ccccc1[C@H](N)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423508871 429104133 /nfs/dbraw/zinc/10/41/33/429104133.db2.gz QZJIAEYKSYORBB-WJFTUGDTSA-N 1 3 301.478 2.711 20 0 DFADHO CCc1ccccc1[C@H](N)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N ZINC000423515951 429105561 /nfs/dbraw/zinc/10/55/61/429105561.db2.gz XRJADEZHRVPQJV-CDHQVMDDSA-N 1 3 311.473 2.797 20 0 DFADHO CN(C)C[C@@H]1CCCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424197656 429109362 /nfs/dbraw/zinc/10/93/62/429109362.db2.gz WPNBTQVYCAYDHQ-SJORKVTESA-N 1 3 309.498 2.617 20 0 DFADHO C[C@H]1CC2(CN1CC(=O)Nc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424294342 429121253 /nfs/dbraw/zinc/12/12/53/429121253.db2.gz QAEKXCLGLKGLEI-ZDUSSCGKSA-N 1 3 321.852 2.743 20 0 DFADHO COC(=O)c1cc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)s1 ZINC000424301155 429122432 /nfs/dbraw/zinc/12/24/32/429122432.db2.gz XGACKCPCGKJZMK-GFCCVEGCSA-N 1 3 322.474 2.807 20 0 DFADHO C[C@H]1CC2(CN1CC(=O)Nc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424300581 429123319 /nfs/dbraw/zinc/12/33/19/429123319.db2.gz WURBULGSQKKGPK-ZDUSSCGKSA-N 1 3 321.852 2.743 20 0 DFADHO COC(=O)CC1CC(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000424351018 429129467 /nfs/dbraw/zinc/12/94/67/429129467.db2.gz OWFALUAYIZKYBF-DQPZFDDXSA-N 1 3 308.466 2.715 20 0 DFADHO COC(=O)CC1CC(NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000424351018 429129470 /nfs/dbraw/zinc/12/94/70/429129470.db2.gz OWFALUAYIZKYBF-DQPZFDDXSA-N 1 3 308.466 2.715 20 0 DFADHO C[C@@H](CCc1ccco1)NCc1cc(C2CC[NH2+]CC2)no1 ZINC000424375610 429131562 /nfs/dbraw/zinc/13/15/62/429131562.db2.gz KNSNCPIJZAWNHR-ZDUSSCGKSA-N 1 3 303.406 2.846 20 0 DFADHO CCN(Cc1cc(OC)c(OC)cc1C)[C@H]1CCC[NH2+]CC1 ZINC000435381718 429136728 /nfs/dbraw/zinc/13/67/28/429136728.db2.gz VKLPNBQWCWWMCI-INIZCTEOSA-N 1 3 306.450 2.976 20 0 DFADHO COc1ccc(-c2ccncc2)cc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000435377702 429137496 /nfs/dbraw/zinc/13/74/96/429137496.db2.gz FJZGXDUCUZQVNI-WDSOQIARSA-N 1 3 323.440 2.926 20 0 DFADHO CC1(C)NC(=O)CC[C@H]1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000495069358 429175859 /nfs/dbraw/zinc/17/58/59/429175859.db2.gz SBLFXAIAHKQULK-IAGOWNOFSA-N 1 3 321.509 2.678 20 0 DFADHO CC1(C)NC(=O)CC[C@H]1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000495069358 429175862 /nfs/dbraw/zinc/17/58/62/429175862.db2.gz SBLFXAIAHKQULK-IAGOWNOFSA-N 1 3 321.509 2.678 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(C)CC2)[C@H]1Oc1ccccc1 ZINC000364321547 429181193 /nfs/dbraw/zinc/18/11/93/429181193.db2.gz CJJQHCBMYLJQHR-GUDVDZBRSA-N 1 3 318.461 2.543 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CNCc1cc2c(cccc2F)[nH]1 ZINC000436287891 429193311 /nfs/dbraw/zinc/19/33/11/429193311.db2.gz UHEOMEZRKWHUDO-CQSZACIVSA-N 1 3 307.413 2.753 20 0 DFADHO c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCN(C3CC3)C2)cs1 ZINC000436292603 429193403 /nfs/dbraw/zinc/19/34/03/429193403.db2.gz SVHISAYUCKUEST-LBPRGKRZSA-N 1 3 302.447 2.712 20 0 DFADHO Cc1nccn1CCC[N@@H+]1CCC[C@@H]1CN1CCCCCC1 ZINC000364623350 429236362 /nfs/dbraw/zinc/23/63/62/429236362.db2.gz NDEPTKIVEYMYEA-GOSISDBHSA-N 1 3 304.482 2.922 20 0 DFADHO Cc1nccn1CCC[N@H+]1CCC[C@@H]1CN1CCCCCC1 ZINC000364623350 429236364 /nfs/dbraw/zinc/23/63/64/429236364.db2.gz NDEPTKIVEYMYEA-GOSISDBHSA-N 1 3 304.482 2.922 20 0 DFADHO Cn1cc(CN2CCC[C@H](CC[NH3+])C2)c(-c2cccs2)n1 ZINC000442929595 429240561 /nfs/dbraw/zinc/24/05/61/429240561.db2.gz SBBGLWCUHQZSEO-CYBMUJFWSA-N 1 3 304.463 2.709 20 0 DFADHO CCc1cccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000364928761 429269389 /nfs/dbraw/zinc/26/93/89/429269389.db2.gz GIZCYTXVAWGMJG-PXNSSMCTSA-N 1 3 315.505 2.707 20 0 DFADHO CCC[C@@H](CN1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000491132403 429327434 /nfs/dbraw/zinc/32/74/34/429327434.db2.gz IQBMHOPQBXAJOC-RBUKOAKNSA-N 1 3 301.478 2.550 20 0 DFADHO CO[C@@H](C[N@@H+](C)[C@H]1CCCN(C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425789 429293299 /nfs/dbraw/zinc/29/32/99/429293299.db2.gz UWFRSDZTODFGGS-GBESFXJTSA-N 1 3 324.509 2.623 20 0 DFADHO CO[C@@H](C[N@H+](C)[C@H]1CCCN(C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425789 429293304 /nfs/dbraw/zinc/29/33/04/429293304.db2.gz UWFRSDZTODFGGS-GBESFXJTSA-N 1 3 324.509 2.623 20 0 DFADHO CO[C@@H](CN(C)[C@H]1CCC[N@H+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425789 429293307 /nfs/dbraw/zinc/29/33/07/429293307.db2.gz UWFRSDZTODFGGS-GBESFXJTSA-N 1 3 324.509 2.623 20 0 DFADHO CO[C@@H](CN(C)[C@H]1CCC[N@@H+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425789 429293312 /nfs/dbraw/zinc/29/33/12/429293312.db2.gz UWFRSDZTODFGGS-GBESFXJTSA-N 1 3 324.509 2.623 20 0 DFADHO C[C@@H](Cc1ccoc1)NCc1ccncc1OCCC[NH+](C)C ZINC000449327782 429391278 /nfs/dbraw/zinc/39/12/78/429391278.db2.gz GGVKRHXVHJCDJQ-HNNXBMFYSA-N 1 3 317.433 2.726 20 0 DFADHO c1c(CNC[C@H]2[C@@H]3c4ccccc4C[C@H]23)onc1C1CC[NH2+]CC1 ZINC000425894104 429349519 /nfs/dbraw/zinc/34/95/19/429349519.db2.gz FYBPVLWEPFZTPA-QWFCFKBJSA-N 1 3 323.440 2.817 20 0 DFADHO Cc1cc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000449188312 429352250 /nfs/dbraw/zinc/35/22/50/429352250.db2.gz KMGQJKZZDUAXMN-IRXDYDNUSA-N 1 3 308.491 2.914 20 0 DFADHO C[C@H](Cc1ccoc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000449182872 429352478 /nfs/dbraw/zinc/35/24/78/429352478.db2.gz DCZMJIZFZQZQPV-OLMNPRSZSA-N 1 3 306.450 2.568 20 0 DFADHO Cc1cccc(CCNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000449183257 429352639 /nfs/dbraw/zinc/35/26/39/429352639.db2.gz FHTLGSBPJQCBQA-WOJBJXKFSA-N 1 3 316.489 2.895 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000513336713 429362565 /nfs/dbraw/zinc/36/25/65/429362565.db2.gz ZQJOAINFGOGLAJ-LSBZLQRGSA-N 1 3 316.493 2.900 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+]CC(C)(C)COC)CC1 ZINC000491459137 429362809 /nfs/dbraw/zinc/36/28/09/429362809.db2.gz PIEBTUSZEJCAGZ-UHFFFAOYSA-N 1 3 319.493 2.591 20 0 DFADHO Cc1ccccc1-c1ccccc1CNC[C@]1(O)CC[N@@H+](C)C1 ZINC000449245129 429365747 /nfs/dbraw/zinc/36/57/47/429365747.db2.gz YQOVZTSSZIMOGR-HXUWFJFHSA-N 1 3 310.441 2.818 20 0 DFADHO Cc1ccccc1-c1ccccc1CNC[C@]1(O)CC[N@H+](C)C1 ZINC000449245129 429365752 /nfs/dbraw/zinc/36/57/52/429365752.db2.gz YQOVZTSSZIMOGR-HXUWFJFHSA-N 1 3 310.441 2.818 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCc2cn[nH]c2)CC1 ZINC000449335790 429390363 /nfs/dbraw/zinc/39/03/63/429390363.db2.gz LUYBYPRCBOQTFB-MRXNPFEDSA-N 1 3 312.461 2.637 20 0 DFADHO COc1cc2c(cc1CNCC[C@H]1CCC[N@H+](C)C1)O[C@@H](C)C2 ZINC000518924321 429440172 /nfs/dbraw/zinc/44/01/72/429440172.db2.gz CIYNBORRGXRONJ-LSDHHAIUSA-N 1 3 318.461 2.840 20 0 DFADHO COc1cc2c(cc1CNCC[C@H]1CCC[N@@H+](C)C1)O[C@@H](C)C2 ZINC000518924321 429440175 /nfs/dbraw/zinc/44/01/75/429440175.db2.gz CIYNBORRGXRONJ-LSDHHAIUSA-N 1 3 318.461 2.840 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000518999536 429444196 /nfs/dbraw/zinc/44/41/96/429444196.db2.gz DZEXSSQJFLSLNC-UKRRQHHQSA-N 1 3 309.841 2.918 20 0 DFADHO CC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H](O)C(F)F ZINC000449425051 429413694 /nfs/dbraw/zinc/41/36/94/429413694.db2.gz QXFCAMKPWNDSEG-GJZGRUSLSA-N 1 3 304.425 2.778 20 0 DFADHO Cc1ccc(N2CC[C@H](N[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)C2)cc1 ZINC000366219631 429435979 /nfs/dbraw/zinc/43/59/79/429435979.db2.gz SCIKUJGFNQJJLR-VUHPKUFZSA-N 1 3 301.478 2.892 20 0 DFADHO Cc1ccc(N2CC[C@H](N[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)C2)cc1 ZINC000366219631 429435981 /nfs/dbraw/zinc/43/59/81/429435981.db2.gz SCIKUJGFNQJJLR-VUHPKUFZSA-N 1 3 301.478 2.892 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000449741716 429493453 /nfs/dbraw/zinc/49/34/53/429493453.db2.gz LIEFFMBOSMHNLO-OALUTQOASA-N 1 3 313.489 2.964 20 0 DFADHO C[C@H]1C[C@@H](O)CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000449767760 429503004 /nfs/dbraw/zinc/50/30/04/429503004.db2.gz QWCOVMVJADQTJT-FUHWJXTLSA-N 1 3 304.478 2.847 20 0 DFADHO C[C@H]1C[C@@H](O)CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000449767760 429503007 /nfs/dbraw/zinc/50/30/07/429503007.db2.gz QWCOVMVJADQTJT-FUHWJXTLSA-N 1 3 304.478 2.847 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCC2)CCN1Cc1ccccc1 ZINC000520428177 429514668 /nfs/dbraw/zinc/51/46/68/429514668.db2.gz MYVCSRDKUCBEDB-MJGOQNOKSA-N 1 3 301.478 2.725 20 0 DFADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000449828468 429519663 /nfs/dbraw/zinc/51/96/63/429519663.db2.gz XEPQMDBIGLKZEK-DOTOQJQBSA-N 1 3 309.498 2.630 20 0 DFADHO CN1CCC[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000521414163 429550584 /nfs/dbraw/zinc/55/05/84/429550584.db2.gz YTJZGJUWBVGUFP-BHIYHBOVSA-N 1 3 301.478 2.753 20 0 DFADHO Cc1cc(C)cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000367032538 429562178 /nfs/dbraw/zinc/56/21/78/429562178.db2.gz ZWYZTBIUHDXZQA-QUCCMNQESA-N 1 3 315.505 2.761 20 0 DFADHO Cc1nccn1CCCCN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429024186 429573255 /nfs/dbraw/zinc/57/32/55/429573255.db2.gz WSTYBVQHHNFATJ-LZLYRXPVSA-N 1 3 304.482 2.634 20 0 DFADHO Cc1nccn1CCCCN1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429024186 429573256 /nfs/dbraw/zinc/57/32/56/429573256.db2.gz WSTYBVQHHNFATJ-LZLYRXPVSA-N 1 3 304.482 2.634 20 0 DFADHO COC(=O)[C@@H](CC(C)C)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367132706 429585007 /nfs/dbraw/zinc/58/50/07/429585007.db2.gz FPSFXJBKCDBAEZ-NVXWUHKLSA-N 1 3 322.493 2.770 20 0 DFADHO COC(=O)[C@@H](CC(C)C)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367132706 429585012 /nfs/dbraw/zinc/58/50/12/429585012.db2.gz FPSFXJBKCDBAEZ-NVXWUHKLSA-N 1 3 322.493 2.770 20 0 DFADHO COC(=O)[C@@H](CC(C)C)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367132705 429585427 /nfs/dbraw/zinc/58/54/27/429585427.db2.gz FPSFXJBKCDBAEZ-DOTOQJQBSA-N 1 3 322.493 2.770 20 0 DFADHO COC(=O)[C@@H](CC(C)C)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367132705 429585431 /nfs/dbraw/zinc/58/54/31/429585431.db2.gz FPSFXJBKCDBAEZ-DOTOQJQBSA-N 1 3 322.493 2.770 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+]C2CC(F)(F)C2)CC1 ZINC000428653897 429541106 /nfs/dbraw/zinc/54/11/06/429541106.db2.gz TWPVOIGQTLUQSA-UHFFFAOYSA-N 1 3 309.404 2.716 20 0 DFADHO CCOC(=O)c1ccc(CN2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000366949520 429544805 /nfs/dbraw/zinc/54/48/05/429544805.db2.gz BUTNZKGYBXSULU-UHFFFAOYSA-N 1 3 320.433 2.764 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000524156124 429621215 /nfs/dbraw/zinc/62/12/15/429621215.db2.gz KYTDKZNUHXXCNA-IAGOWNOFSA-N 1 3 323.525 2.828 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000524156124 429621218 /nfs/dbraw/zinc/62/12/18/429621218.db2.gz KYTDKZNUHXXCNA-IAGOWNOFSA-N 1 3 323.525 2.828 20 0 DFADHO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000492819329 429623587 /nfs/dbraw/zinc/62/35/87/429623587.db2.gz RFMIKZOVRPLEGB-YJBOKZPZSA-N 1 3 321.509 2.678 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCN(C)Cc2ccccc2)C[C@H]1C ZINC000450465274 429632990 /nfs/dbraw/zinc/63/29/90/429632990.db2.gz DUYGNCQERDBMGW-MJGOQNOKSA-N 1 3 303.494 2.923 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCN(C)Cc2ccccc2)C[C@H]1C ZINC000450465274 429632996 /nfs/dbraw/zinc/63/29/96/429632996.db2.gz DUYGNCQERDBMGW-MJGOQNOKSA-N 1 3 303.494 2.923 20 0 DFADHO CCc1cc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)cc[nH+]1 ZINC000450463613 429633495 /nfs/dbraw/zinc/63/34/95/429633495.db2.gz QPQCPWORHQVMOW-KRWDZBQOSA-N 1 3 310.445 2.997 20 0 DFADHO C[C@@H]1CCN(CC[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000524771157 429635656 /nfs/dbraw/zinc/63/56/56/429635656.db2.gz LWVHFXMAFOTFQG-QGZVFWFLSA-N 1 3 301.478 2.582 20 0 DFADHO Cc1cc(NC(=O)CN2[C@H](C)CC[C@H]2C)ccc1C[NH+](C)C ZINC000458268340 429610243 /nfs/dbraw/zinc/61/02/43/429610243.db2.gz GLUHQLRYFNZHMA-HUUCEWRRSA-N 1 3 303.450 2.868 20 0 DFADHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@H](C)N2CCCCCC2)cc1 ZINC000429485641 429611405 /nfs/dbraw/zinc/61/14/05/429611405.db2.gz UFVCEVHAYIYVBX-GJZGRUSLSA-N 1 3 303.450 2.587 20 0 DFADHO CC(C)[C@@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)N1CCCCC1 ZINC000429499877 429612826 /nfs/dbraw/zinc/61/28/26/429612826.db2.gz BHANOMQHRKEQPJ-QAPCUYQASA-N 1 3 317.477 2.833 20 0 DFADHO CNC(=O)c1cccc(CN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000523670696 429613622 /nfs/dbraw/zinc/61/36/22/429613622.db2.gz HTKBRMJGOKNKBK-UHFFFAOYSA-N 1 3 317.477 2.598 20 0 DFADHO CNC(=O)c1cccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000523670696 429613625 /nfs/dbraw/zinc/61/36/25/429613625.db2.gz HTKBRMJGOKNKBK-UHFFFAOYSA-N 1 3 317.477 2.598 20 0 DFADHO Cc1cnn(C)c1C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000367540062 429667686 /nfs/dbraw/zinc/66/76/86/429667686.db2.gz HMYCPABNYZKSPY-SFHVURJKSA-N 1 3 312.461 2.730 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC(=O)C2(N)CCCCC2)c1 ZINC000236922193 276109974 /nfs/dbraw/zinc/10/99/74/276109974.db2.gz RGBGRFRHPIFSSA-UHFFFAOYSA-N 1 3 317.477 2.806 20 0 DFADHO CC1=C[C@H](C)C[C@@H](C[N@H+](C)CCN(C)C2CCN(C)CC2)C1 ZINC000356321552 276184872 /nfs/dbraw/zinc/18/48/72/276184872.db2.gz QJASRKWRORFTIO-FUHWJXTLSA-N 1 3 307.526 2.937 20 0 DFADHO CC1=C[C@H](C)C[C@@H](C[N@@H+](C)CCN(C)C2CCN(C)CC2)C1 ZINC000356321552 276184875 /nfs/dbraw/zinc/18/48/75/276184875.db2.gz QJASRKWRORFTIO-FUHWJXTLSA-N 1 3 307.526 2.937 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000155684135 276197206 /nfs/dbraw/zinc/19/72/06/276197206.db2.gz XDNUUMUOTLRGAN-FUHWJXTLSA-N 1 3 317.477 2.516 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000155621843 276197256 /nfs/dbraw/zinc/19/72/56/276197256.db2.gz BEFSAJUZVKOAHP-DOTOQJQBSA-N 1 3 319.493 2.909 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000155622163 276199476 /nfs/dbraw/zinc/19/94/76/276199476.db2.gz BEFSAJUZVKOAHP-WBVHZDCISA-N 1 3 319.493 2.909 20 0 DFADHO CCC(CC)(C[NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000236679327 276208529 /nfs/dbraw/zinc/20/85/29/276208529.db2.gz PELQTDODDVKYFQ-AWEZNQCLSA-N 1 3 323.506 2.766 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccnc(N3CCCC3)c2)[C@H]2CCC[C@H]21 ZINC000367639286 429690548 /nfs/dbraw/zinc/69/05/48/429690548.db2.gz UTFFWAKWNHYVLE-FGTMMUONSA-N 1 3 314.477 2.644 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccnc(N3CCCC3)c2)[C@H]2CCC[C@H]21 ZINC000367639286 429690552 /nfs/dbraw/zinc/69/05/52/429690552.db2.gz UTFFWAKWNHYVLE-FGTMMUONSA-N 1 3 314.477 2.644 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@H]2CCC[C@H]21 ZINC000367639286 429690556 /nfs/dbraw/zinc/69/05/56/429690556.db2.gz UTFFWAKWNHYVLE-FGTMMUONSA-N 1 3 314.477 2.644 20 0 DFADHO CC[N@H+](CCCN(C)C)Cc1cn(C)nc1-c1cccs1 ZINC000367683429 429698897 /nfs/dbraw/zinc/69/88/97/429698897.db2.gz IVFFFZPAXULUKL-UHFFFAOYSA-N 1 3 306.479 2.922 20 0 DFADHO CC[N@@H+](CCCN(C)C)Cc1cn(C)nc1-c1cccs1 ZINC000367683429 429698900 /nfs/dbraw/zinc/69/89/00/429698900.db2.gz IVFFFZPAXULUKL-UHFFFAOYSA-N 1 3 306.479 2.922 20 0 DFADHO CN(CCCCC(F)(F)F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367684430 429698920 /nfs/dbraw/zinc/69/89/20/429698920.db2.gz NYBZZQAPWIMUFV-HNNXBMFYSA-N 1 3 321.431 2.819 20 0 DFADHO CN(CCCCC(F)(F)F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367684430 429698924 /nfs/dbraw/zinc/69/89/24/429698924.db2.gz NYBZZQAPWIMUFV-HNNXBMFYSA-N 1 3 321.431 2.819 20 0 DFADHO CN1CCC(N2CC[C@H]([N@H+](C)CCCCC(F)(F)F)C2)CC1 ZINC000367684430 429698928 /nfs/dbraw/zinc/69/89/28/429698928.db2.gz NYBZZQAPWIMUFV-HNNXBMFYSA-N 1 3 321.431 2.819 20 0 DFADHO CN1CCC(N2CC[C@H]([N@@H+](C)CCCCC(F)(F)F)C2)CC1 ZINC000367684430 429698932 /nfs/dbraw/zinc/69/89/32/429698932.db2.gz NYBZZQAPWIMUFV-HNNXBMFYSA-N 1 3 321.431 2.819 20 0 DFADHO C[C@](C[NH3+])(NCCC(=O)Nc1ccc(Cl)cc1F)C1CC1 ZINC000430590455 429699605 /nfs/dbraw/zinc/69/96/05/429699605.db2.gz KZPPIVQZFZSPBV-OAHLLOKOSA-N 1 3 313.804 2.525 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)[C@H](C)C1 ZINC000367601029 276316241 /nfs/dbraw/zinc/31/62/41/276316241.db2.gz MAPZPCKRROHCKL-PVAVHDDUSA-N 1 3 320.481 2.514 20 0 DFADHO C[C@@](C[NH3+])(NCCC(=O)Nc1cccc2ccccc21)C1CC1 ZINC000430569716 429693468 /nfs/dbraw/zinc/69/34/68/429693468.db2.gz AXLNNMGEGLNQKO-IBGZPJMESA-N 1 3 311.429 2.885 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCn1nc(C)cc1C ZINC000450763123 429695844 /nfs/dbraw/zinc/69/58/44/429695844.db2.gz SZJKMPOXSIBNMR-ZWKOTPCHSA-N 1 3 306.498 2.990 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCn1nc(C)cc1C ZINC000450763123 429695847 /nfs/dbraw/zinc/69/58/47/429695847.db2.gz SZJKMPOXSIBNMR-ZWKOTPCHSA-N 1 3 306.498 2.990 20 0 DFADHO CN(C)CCN1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000526974550 429711972 /nfs/dbraw/zinc/71/19/72/429711972.db2.gz SYHGYUDTEJVVMW-UHFFFAOYSA-N 1 3 311.420 2.740 20 0 DFADHO CC[C@@H]1CCCCN1CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000430771430 429716524 /nfs/dbraw/zinc/71/65/24/429716524.db2.gz DDQQQMYZMYTPJB-IKGGRYGDSA-N 1 3 309.498 2.665 20 0 DFADHO COc1cc2c(c(CN3CCC4(CC[NH2+]C4)CC3)c1)O[C@H](C)C2 ZINC000430918541 429723907 /nfs/dbraw/zinc/72/39/07/429723907.db2.gz HTGCYFKQCIGPRS-CQSZACIVSA-N 1 3 316.445 2.594 20 0 DFADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC(C[NH2+]C)CC1 ZINC000430926186 429725113 /nfs/dbraw/zinc/72/51/13/429725113.db2.gz FWYVYMCZPUPDMQ-GOSISDBHSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450984593 429743359 /nfs/dbraw/zinc/74/33/59/429743359.db2.gz WWXJMWSKFXTYLC-ZLMZNLFFSA-N 1 3 302.462 2.708 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450984593 429743362 /nfs/dbraw/zinc/74/33/62/429743362.db2.gz WWXJMWSKFXTYLC-ZLMZNLFFSA-N 1 3 302.462 2.708 20 0 DFADHO C[NH+](C)CCOc1ccccc1CNC/C=C\c1ccncc1 ZINC000486965025 429758070 /nfs/dbraw/zinc/75/80/70/429758070.db2.gz CKLAEYOTFLQZHL-WAYWQWQTSA-N 1 3 311.429 2.825 20 0 DFADHO OC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000367997817 429762191 /nfs/dbraw/zinc/76/21/91/429762191.db2.gz GLLMHZUEEBKOLF-GBESFXJTSA-N 1 3 314.473 2.792 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000431727620 429779432 /nfs/dbraw/zinc/77/94/32/429779432.db2.gz LDHKCPFDDJSEJT-KRWDZBQOSA-N 1 3 323.525 2.831 20 0 DFADHO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000431727620 429779437 /nfs/dbraw/zinc/77/94/37/429779437.db2.gz LDHKCPFDDJSEJT-KRWDZBQOSA-N 1 3 323.525 2.831 20 0 DFADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000451194657 429784087 /nfs/dbraw/zinc/78/40/87/429784087.db2.gz WHZLOXBSDLUAOD-AEFFLSMTSA-N 1 3 321.509 2.726 20 0 DFADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431912753 429789506 /nfs/dbraw/zinc/78/95/06/429789506.db2.gz JXEYIECEAQADRK-WMZOPIPTSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431912753 429789509 /nfs/dbraw/zinc/78/95/09/429789509.db2.gz JXEYIECEAQADRK-WMZOPIPTSA-N 1 3 321.509 2.774 20 0 DFADHO CN(C)c1ccncc1C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000527751071 429791941 /nfs/dbraw/zinc/79/19/41/429791941.db2.gz GKZUADSTKAKOHO-KRWDZBQOSA-N 1 3 302.466 2.644 20 0 DFADHO Cc1ccccc1C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368333862 429831905 /nfs/dbraw/zinc/83/19/05/429831905.db2.gz SHWVOXCMNCDEND-UHFFFAOYSA-N 1 3 315.505 2.845 20 0 DFADHO OC1CC(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000528016499 429836901 /nfs/dbraw/zinc/83/69/01/429836901.db2.gz ASCNVVWGXRSWEU-KPZODNFCSA-N 1 3 314.473 2.648 20 0 DFADHO Cc1ccc2nccc(NCCC[N@@H+]3CCCO[C@@H](C)C3)c2c1 ZINC000432877927 429848246 /nfs/dbraw/zinc/84/82/46/429848246.db2.gz OKTXDBVBPRUIJW-INIZCTEOSA-N 1 3 313.445 2.878 20 0 DFADHO Cc1ccc2nccc(NCCC[N@H+]3CCCO[C@@H](C)C3)c2c1 ZINC000432877927 429848250 /nfs/dbraw/zinc/84/82/50/429848250.db2.gz OKTXDBVBPRUIJW-INIZCTEOSA-N 1 3 313.445 2.878 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCCC1CCOCC1 ZINC000368530471 429862852 /nfs/dbraw/zinc/86/28/52/429862852.db2.gz MRWZXLUFPBHUTA-QRVBRYPASA-N 1 3 324.509 2.767 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528746550 429912264 /nfs/dbraw/zinc/91/22/64/429912264.db2.gz WKDPZGDXSQDVGJ-DLBZAZTESA-N 1 3 308.441 2.706 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528746550 429912266 /nfs/dbraw/zinc/91/22/66/429912266.db2.gz WKDPZGDXSQDVGJ-DLBZAZTESA-N 1 3 308.441 2.706 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)CC1 ZINC000369122239 429914331 /nfs/dbraw/zinc/91/43/31/429914331.db2.gz OFDQODWBCMBDIP-OALUTQOASA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)CC1 ZINC000369122239 429914332 /nfs/dbraw/zinc/91/43/32/429914332.db2.gz OFDQODWBCMBDIP-OALUTQOASA-N 1 3 307.526 2.915 20 0 DFADHO COCC1([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000573124515 429929301 /nfs/dbraw/zinc/92/93/01/429929301.db2.gz RHVPDQWGYFNDHN-KZNAEPCWSA-N 1 3 300.446 2.666 20 0 DFADHO COCC1(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000573124515 429929304 /nfs/dbraw/zinc/92/93/04/429929304.db2.gz RHVPDQWGYFNDHN-KZNAEPCWSA-N 1 3 300.446 2.666 20 0 DFADHO COCC1(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000573124515 429929309 /nfs/dbraw/zinc/92/93/09/429929309.db2.gz RHVPDQWGYFNDHN-KZNAEPCWSA-N 1 3 300.446 2.666 20 0 DFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000573669457 429971611 /nfs/dbraw/zinc/97/16/11/429971611.db2.gz ZZILWHHMCMRVLB-HOCLYGCPSA-N 1 3 307.482 2.821 20 0 DFADHO CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639761601 429972352 /nfs/dbraw/zinc/97/23/52/429972352.db2.gz GQJHAXUIIPATFJ-SJORKVTESA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)CN(CC(C)C)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639763260 429973068 /nfs/dbraw/zinc/97/30/68/429973068.db2.gz PJUQVZFVIKETAX-UHFFFAOYSA-N 1 3 323.525 2.545 20 0 DFADHO O=C(NC1CCN(C2CC2)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000369365433 429931019 /nfs/dbraw/zinc/93/10/19/429931019.db2.gz BMDKTAWMTYJVSO-GOSISDBHSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(NC1CCN(C2CC2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000369365433 429931023 /nfs/dbraw/zinc/93/10/23/429931023.db2.gz BMDKTAWMTYJVSO-GOSISDBHSA-N 1 3 319.493 2.527 20 0 DFADHO COc1ncc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c2ccccc21 ZINC000639654772 429933953 /nfs/dbraw/zinc/93/39/53/429933953.db2.gz NCUQFXNBTUCQDS-LJQANCHMSA-N 1 3 311.429 2.771 20 0 DFADHO COc1ncc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c2ccccc21 ZINC000639654772 429933954 /nfs/dbraw/zinc/93/39/54/429933954.db2.gz NCUQFXNBTUCQDS-LJQANCHMSA-N 1 3 311.429 2.771 20 0 DFADHO COc1ccc(CC[N@@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000639682125 429943767 /nfs/dbraw/zinc/94/37/67/429943767.db2.gz LOSSLULINRJRFZ-UHFFFAOYSA-N 1 3 311.429 2.845 20 0 DFADHO COc1ccc(CC[N@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000639682125 429943773 /nfs/dbraw/zinc/94/37/73/429943773.db2.gz LOSSLULINRJRFZ-UHFFFAOYSA-N 1 3 311.429 2.845 20 0 DFADHO Fc1ccccc1OCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682579 429944466 /nfs/dbraw/zinc/94/44/66/429944466.db2.gz YUTKJCCVMDUXJI-UHFFFAOYSA-N 1 3 315.392 2.812 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCCN(c3ccncc3)CC2)C1 ZINC000639684152 429947057 /nfs/dbraw/zinc/94/70/57/429947057.db2.gz RYOBGHIDZOBCSC-QZTJIDSGSA-N 1 3 316.493 2.572 20 0 DFADHO Cc1nccn1CCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639704218 429952634 /nfs/dbraw/zinc/95/26/34/429952634.db2.gz PLQGIRIRJNQDEM-UHFFFAOYSA-N 1 3 313.449 2.579 20 0 DFADHO Cc1nccn1CCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639704218 429952639 /nfs/dbraw/zinc/95/26/39/429952639.db2.gz PLQGIRIRJNQDEM-UHFFFAOYSA-N 1 3 313.449 2.579 20 0 DFADHO Clc1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCO2 ZINC000574277512 430028666 /nfs/dbraw/zinc/02/86/66/430028666.db2.gz KZJPBVCWFIVVQT-UONOGXRCSA-N 1 3 322.836 2.890 20 0 DFADHO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000560344120 430033400 /nfs/dbraw/zinc/03/34/00/430033400.db2.gz HHCCYYHAZDYLPU-HNNXBMFYSA-N 1 3 319.493 2.892 20 0 DFADHO C[NH+](C)CCOCCNCc1ccc(F)cc1C(F)(F)F ZINC000226744661 276791895 /nfs/dbraw/zinc/79/18/95/276791895.db2.gz XZICOSZTVXPZMR-UHFFFAOYSA-N 1 3 308.319 2.512 20 0 DFADHO C[C@@H]1C[C@@H](CN2CCc3nc(C(C)(C)C)ncc3C2)CC[NH2+]1 ZINC000530241212 430107333 /nfs/dbraw/zinc/10/73/33/430107333.db2.gz DNELDEQWIWTQEN-KGLIPLIRSA-N 1 3 302.466 2.520 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1cccc(OCCN(C)C)c1 ZINC000562106168 430108397 /nfs/dbraw/zinc/10/83/97/430108397.db2.gz CFPHXZFUGRCQLR-ATZDWAIDSA-N 1 3 320.477 2.971 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000529714331 430057082 /nfs/dbraw/zinc/05/70/82/430057082.db2.gz HKYIAUTYAMOQRE-GOSISDBHSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)C1CCCCC1 ZINC000530880407 430126886 /nfs/dbraw/zinc/12/68/86/430126886.db2.gz OHQJNWREWJSMLE-MRXNPFEDSA-N 1 3 311.514 2.545 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCCc4sccc43)C2)CC1 ZINC000370638886 277029117 /nfs/dbraw/zinc/02/91/17/277029117.db2.gz ZZJCFEBCAFABLZ-YOEHRIQHSA-N 1 3 319.518 2.884 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C(C)(C)CC)CC2)CC1 ZINC000563382757 430184610 /nfs/dbraw/zinc/18/46/10/430184610.db2.gz IEFFUZVTMVNBMI-UHFFFAOYSA-N 1 3 323.525 2.830 20 0 DFADHO Brc1cccc2c1C[C@@H]1[C@H](NC[C@H]3CCC[NH2+]C3)[C@H]21 ZINC000634997164 430187310 /nfs/dbraw/zinc/18/73/10/430187310.db2.gz FDXVAZVGXHAVBF-CEFQPYBMSA-N 1 3 321.262 2.676 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000371330124 277077870 /nfs/dbraw/zinc/07/78/70/277077870.db2.gz QVEDRJBFIALDCC-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000371330124 277077873 /nfs/dbraw/zinc/07/78/73/277077873.db2.gz QVEDRJBFIALDCC-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000371330124 277077874 /nfs/dbraw/zinc/07/78/74/277077874.db2.gz QVEDRJBFIALDCC-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000371330124 277077875 /nfs/dbraw/zinc/07/78/75/277077875.db2.gz QVEDRJBFIALDCC-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cnccc1N ZINC000635002993 430191344 /nfs/dbraw/zinc/19/13/44/430191344.db2.gz DEMCJLXYHVSTGW-RYRKJORJSA-N 1 3 324.472 2.913 20 0 DFADHO C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cnccc1N ZINC000635002993 430191346 /nfs/dbraw/zinc/19/13/46/430191346.db2.gz DEMCJLXYHVSTGW-RYRKJORJSA-N 1 3 324.472 2.913 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]CC[C@@H](N)Cc2ccccc2)cn1 ZINC000635004912 430193926 /nfs/dbraw/zinc/19/39/26/430193926.db2.gz GETHSPKFSMYMPJ-CRAIPNDOSA-N 1 3 313.445 2.571 20 0 DFADHO COc1ccc(C[C@@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)cn1 ZINC000635004912 430193931 /nfs/dbraw/zinc/19/39/31/430193931.db2.gz GETHSPKFSMYMPJ-CRAIPNDOSA-N 1 3 313.445 2.571 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccccc2Cn2cccn2)[C@H]2CCC[C@H]21 ZINC000367601063 277172442 /nfs/dbraw/zinc/17/24/42/277172442.db2.gz MELQDQLTICDHRY-HSALFYBXSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccccc2Cn2cccn2)[C@H]2CCC[C@H]21 ZINC000367601063 277172444 /nfs/dbraw/zinc/17/24/44/277172444.db2.gz MELQDQLTICDHRY-HSALFYBXSA-N 1 3 324.472 2.894 20 0 DFADHO COC1(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC000359741123 277187171 /nfs/dbraw/zinc/18/71/71/277187171.db2.gz GFFWHPKKFVPGOA-CALCHBBNSA-N 1 3 312.498 2.815 20 0 DFADHO C[N@H+]1C[C@H]2CN([C@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@H]2C1 ZINC000367327501 277198834 /nfs/dbraw/zinc/19/88/34/277198834.db2.gz QVKXPXKZIOHANS-ZENOOKHLSA-N 1 3 304.409 2.921 20 0 DFADHO C[N@@H+]1C[C@H]2CN([C@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@H]2C1 ZINC000367327501 277198836 /nfs/dbraw/zinc/19/88/36/277198836.db2.gz QVKXPXKZIOHANS-ZENOOKHLSA-N 1 3 304.409 2.921 20 0 DFADHO Cc1nc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(C)s1 ZINC000635008327 430195349 /nfs/dbraw/zinc/19/53/49/430195349.db2.gz ITOILMLMKYZUSG-LLVKDONJSA-N 1 3 317.462 2.738 20 0 DFADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1-n1ccnn1 ZINC000635012369 430195869 /nfs/dbraw/zinc/19/58/69/430195869.db2.gz TXKZUJRPPRLWOX-GJZGRUSLSA-N 1 3 313.449 2.696 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012508 430196019 /nfs/dbraw/zinc/19/60/19/430196019.db2.gz UKCVKTBAFSVHMW-GOEBONIOSA-N 1 3 303.450 2.772 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000635010739 430196173 /nfs/dbraw/zinc/19/61/73/430196173.db2.gz AWCDHULGJSWZMX-IKICRFKJSA-N 1 3 306.425 2.881 20 0 DFADHO COc1ccc(COCCC[NH2+][C@@H](C)[C@@H]2CCCNC2)cc1 ZINC000581304656 430197937 /nfs/dbraw/zinc/19/79/37/430197937.db2.gz VKYVKVQZVMDXDM-DOTOQJQBSA-N 1 3 306.450 2.580 20 0 DFADHO CC(C)C(=O)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000150937507 277328046 /nfs/dbraw/zinc/32/80/46/277328046.db2.gz JAPDLQAHWLROPF-UHFFFAOYSA-N 1 3 321.509 2.630 20 0 DFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](N)CCC(C)C)cc1 ZINC000638053620 430221543 /nfs/dbraw/zinc/22/15/43/430221543.db2.gz KNXXQXYCRDNSHC-SFHVURJKSA-N 1 3 319.493 2.908 20 0 DFADHO CC(C)CC[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000638065594 430223868 /nfs/dbraw/zinc/22/38/68/430223868.db2.gz VGBSVVFUYZPEID-SFHVURJKSA-N 1 3 317.477 2.662 20 0 DFADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000354783283 277385440 /nfs/dbraw/zinc/38/54/40/277385440.db2.gz FSPOSRGWKCTDSX-GOSISDBHSA-N 1 3 323.525 2.734 20 0 DFADHO CN(C)Cc1ccccc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000565457321 430212470 /nfs/dbraw/zinc/21/24/70/430212470.db2.gz WEFWNOFPFDEEHO-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO Cc1scc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1C ZINC000638138204 430248694 /nfs/dbraw/zinc/24/86/94/430248694.db2.gz XTRCUQUAZQPOFX-KBXCAEBGSA-N 1 3 321.534 2.823 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCN(c4ccccc4)C3)CC[C@@H]21 ZINC000638176454 430261509 /nfs/dbraw/zinc/26/15/09/430261509.db2.gz DTKQPCGIDTUCIA-GGPKGHCWSA-N 1 3 313.489 2.929 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCN(c4ccccc4)C3)CC[C@@H]21 ZINC000638176454 430261510 /nfs/dbraw/zinc/26/15/10/430261510.db2.gz DTKQPCGIDTUCIA-GGPKGHCWSA-N 1 3 313.489 2.929 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000582229619 430280282 /nfs/dbraw/zinc/28/02/82/430280282.db2.gz MGIJEWFEDJJCCQ-AWEZNQCLSA-N 1 3 318.465 2.574 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000582229619 430280284 /nfs/dbraw/zinc/28/02/84/430280284.db2.gz MGIJEWFEDJJCCQ-AWEZNQCLSA-N 1 3 318.465 2.574 20 0 DFADHO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000542852049 430230290 /nfs/dbraw/zinc/23/02/90/430230290.db2.gz OSWWUPLURXVNBR-LZQZEXGQSA-N 1 3 302.462 2.922 20 0 DFADHO CN1CCC(N2CCC([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000638460600 430348776 /nfs/dbraw/zinc/34/87/76/430348776.db2.gz ZWXHRUOVNHOLBJ-IXDOHACOSA-N 1 3 305.510 2.571 20 0 DFADHO CC[C@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc(OC)cc1 ZINC000638282585 430294246 /nfs/dbraw/zinc/29/42/46/430294246.db2.gz FOOFVIDAQSYBKB-SFHVURJKSA-N 1 3 320.477 2.971 20 0 DFADHO CN(C)CCC[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000638289393 430295486 /nfs/dbraw/zinc/29/54/86/430295486.db2.gz HPKMZKLTADPLNU-HKUYNNGSSA-N 1 3 301.478 2.896 20 0 DFADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000582414441 430298047 /nfs/dbraw/zinc/29/80/47/430298047.db2.gz OFROCXQDYWWFHI-IRXDYDNUSA-N 1 3 302.466 2.822 20 0 DFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000582481324 430303159 /nfs/dbraw/zinc/30/31/59/430303159.db2.gz ROOGETIIULKGEM-CRAIPNDOSA-N 1 3 317.477 2.655 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCOc2cccc(Br)c2)C1 ZINC000568107713 430319492 /nfs/dbraw/zinc/31/94/92/430319492.db2.gz WITLKWXOMNZXTP-CHWSQXEVSA-N 1 3 313.239 2.687 20 0 DFADHO CC(C)(O)C[NH+]1CCC(NCCc2ccc(Cl)s2)CC1 ZINC000638375680 430321760 /nfs/dbraw/zinc/32/17/60/430321760.db2.gz CSZUXSFCTVKSNH-UHFFFAOYSA-N 1 3 316.898 2.769 20 0 DFADHO CO[C@@H](CNCc1cccc(C[N@H+](C)C(C)C)c1)[C@@H]1CCOC1 ZINC000638434117 430341844 /nfs/dbraw/zinc/34/18/44/430341844.db2.gz HSYFANSKPFAYOF-MOPGFXCFSA-N 1 3 320.477 2.668 20 0 DFADHO CO[C@@H](CNCc1cccc(C[N@@H+](C)C(C)C)c1)[C@@H]1CCOC1 ZINC000638434117 430341849 /nfs/dbraw/zinc/34/18/49/430341849.db2.gz HSYFANSKPFAYOF-MOPGFXCFSA-N 1 3 320.477 2.668 20 0 DFADHO CC(C)(O)CN1CCC([NH2+]Cc2ccc3ccccc3n2)CC1 ZINC000638438192 430343098 /nfs/dbraw/zinc/34/30/98/430343098.db2.gz HTBGIQLODIIFGD-UHFFFAOYSA-N 1 3 313.445 2.560 20 0 DFADHO CC[C@@H](N)c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179253 430354337 /nfs/dbraw/zinc/35/43/37/430354337.db2.gz HQGADPRKNRBACW-QGZVFWFLSA-N 1 3 313.449 2.722 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@@H]1CC1(F)F ZINC000638540061 430372343 /nfs/dbraw/zinc/37/23/43/430372343.db2.gz YEVWJDLKPKSJTC-CJNGLKHVSA-N 1 3 312.404 2.803 20 0 DFADHO C[C@@H](C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1CCCCC1 ZINC000638588792 430383499 /nfs/dbraw/zinc/38/34/99/430383499.db2.gz NRANZITZUDZQIQ-WMZOPIPTSA-N 1 3 307.526 2.961 20 0 DFADHO CCn1c2ccccc2nc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568761791 430390068 /nfs/dbraw/zinc/39/00/68/430390068.db2.gz IMKWWMXXXJGOBR-HZPDHXFCSA-N 1 3 312.461 2.878 20 0 DFADHO CC(C)(O)C[NH+]1CCC(NCCc2cc3ccccc3o2)CC1 ZINC000638658605 430403438 /nfs/dbraw/zinc/40/34/38/430403438.db2.gz YSLLPDHJTVMDPC-UHFFFAOYSA-N 1 3 316.445 2.800 20 0 DFADHO CO[C@H](CNC1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCCC1 ZINC000638667817 430404095 /nfs/dbraw/zinc/40/40/95/430404095.db2.gz DPCBVPXWNGBXDW-VQIMIIECSA-N 1 3 324.509 2.672 20 0 DFADHO COc1cc(C[C@@H](C)[NH2+]C[C@H]2CCCN(CC(C)C)C2)ccn1 ZINC000638788012 430433653 /nfs/dbraw/zinc/43/36/53/430433653.db2.gz ZYGJPJIRFKQVDI-SJLPKXTDSA-N 1 3 319.493 2.979 20 0 DFADHO COc1cc(C[C@@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)ccn1 ZINC000638788012 430433655 /nfs/dbraw/zinc/43/36/55/430433655.db2.gz ZYGJPJIRFKQVDI-SJLPKXTDSA-N 1 3 319.493 2.979 20 0 DFADHO COc1cc(C[C@@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)ccn1 ZINC000638788012 430433656 /nfs/dbraw/zinc/43/36/56/430433656.db2.gz ZYGJPJIRFKQVDI-SJLPKXTDSA-N 1 3 319.493 2.979 20 0 DFADHO C[C@@H]1C[C@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)CCN1C ZINC000548060382 430441265 /nfs/dbraw/zinc/44/12/65/430441265.db2.gz WGHYGWIDVNSQDB-NVXWUHKLSA-N 1 3 309.498 2.582 20 0 DFADHO C[C@@H]1C[C@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CCN1C ZINC000548060382 430441269 /nfs/dbraw/zinc/44/12/69/430441269.db2.gz WGHYGWIDVNSQDB-NVXWUHKLSA-N 1 3 309.498 2.582 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641707677 430447734 /nfs/dbraw/zinc/44/77/34/430447734.db2.gz OWXVKAKOFGSENX-AWEZNQCLSA-N 1 3 316.449 2.870 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641707677 430447738 /nfs/dbraw/zinc/44/77/38/430447738.db2.gz OWXVKAKOFGSENX-AWEZNQCLSA-N 1 3 316.449 2.870 20 0 DFADHO CN(C)Cc1ccc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000583992029 430448249 /nfs/dbraw/zinc/44/82/49/430448249.db2.gz KSARFHZCLFOZNI-SJORKVTESA-N 1 3 303.450 2.984 20 0 DFADHO COCC1(C[NH2+]CC2CCN(c3ccncc3)CC2)CCC1 ZINC000638836907 430449449 /nfs/dbraw/zinc/44/94/49/430449449.db2.gz MCVMYWJQDOSWHH-UHFFFAOYSA-N 1 3 303.450 2.704 20 0 DFADHO CC[C@@H](C)[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)OC ZINC000638836344 430449520 /nfs/dbraw/zinc/44/95/20/430449520.db2.gz FHKNTAQOJFKLLQ-QAPCUYQASA-N 1 3 305.466 2.949 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048124 430453791 /nfs/dbraw/zinc/45/37/91/430453791.db2.gz DLHTXCJNUFFTTL-WMZOPIPTSA-N 1 3 324.896 2.953 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048124 430453797 /nfs/dbraw/zinc/45/37/97/430453797.db2.gz DLHTXCJNUFFTTL-WMZOPIPTSA-N 1 3 324.896 2.953 20 0 DFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048124 430453802 /nfs/dbraw/zinc/45/38/02/430453802.db2.gz DLHTXCJNUFFTTL-WMZOPIPTSA-N 1 3 324.896 2.953 20 0 DFADHO CCn1cc(C[NH2+]C[C@@H](C)CN(C)C)c(-c2ccccc2)n1 ZINC000641756188 430461989 /nfs/dbraw/zinc/46/19/89/430461989.db2.gz DWBGQGYLJKPNGD-OAHLLOKOSA-N 1 3 300.450 2.857 20 0 DFADHO Cn1cc([C@@H]2C[N@H+](CCCN3CCCCC3)CC2(C)C)cn1 ZINC000569658261 430473324 /nfs/dbraw/zinc/47/33/24/430473324.db2.gz LUPDIIZMEZQUBZ-KRWDZBQOSA-N 1 3 304.482 2.722 20 0 DFADHO Cn1cc([C@@H]2C[N@@H+](CCCN3CCCCC3)CC2(C)C)cn1 ZINC000569658261 430473328 /nfs/dbraw/zinc/47/33/28/430473328.db2.gz LUPDIIZMEZQUBZ-KRWDZBQOSA-N 1 3 304.482 2.722 20 0 DFADHO C[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000584339893 430474891 /nfs/dbraw/zinc/47/48/91/430474891.db2.gz HUQIPISRLOAWMF-OWCLPIDISA-N 1 3 309.498 2.581 20 0 DFADHO CCCc1nc(C)c(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)o1 ZINC000641799858 430476360 /nfs/dbraw/zinc/47/63/60/430476360.db2.gz RPILREJRNHJBSH-MAUKXSAKSA-N 1 3 321.465 2.654 20 0 DFADHO Cc1ccc(CCNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000638751733 430423874 /nfs/dbraw/zinc/42/38/74/430423874.db2.gz SKMNPFMGZRPNGU-WOJBJXKFSA-N 1 3 316.489 2.895 20 0 DFADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCCC1 ZINC000638749877 430424496 /nfs/dbraw/zinc/42/44/96/430424496.db2.gz MBQAGWLRMCMVSX-GUDVDZBRSA-N 1 3 324.509 2.549 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000583806450 430429902 /nfs/dbraw/zinc/42/99/02/430429902.db2.gz HBWQXWLWQNNHHV-MSOLQXFVSA-N 1 3 323.525 2.519 20 0 DFADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC1(CN2CCOCC2)CCCCC1 ZINC000583806450 430429906 /nfs/dbraw/zinc/42/99/06/430429906.db2.gz HBWQXWLWQNNHHV-MSOLQXFVSA-N 1 3 323.525 2.519 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C(C)(C)n1cncn1 ZINC000638969776 430483628 /nfs/dbraw/zinc/48/36/28/430483628.db2.gz IOQLTGDTESUQMR-XHSDSOJGSA-N 1 3 319.497 2.644 20 0 DFADHO [NH3+]CC1(NC(=O)c2cccc(CN3CCCC3)c2)CCCCC1 ZINC000638997647 430491367 /nfs/dbraw/zinc/49/13/67/430491367.db2.gz WIDLGRKVJRJCDK-UHFFFAOYSA-N 1 3 315.461 2.674 20 0 DFADHO Cc1cc(NCC[NH2+]C2CC2)c2cc(OC(F)F)ccc2n1 ZINC000643002158 430540902 /nfs/dbraw/zinc/54/09/02/430540902.db2.gz CQVCTNBLIJEZBV-UHFFFAOYSA-N 1 3 307.344 2.730 20 0 DFADHO [NH3+]C[C@@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)c2ccccc21 ZINC000639064985 430509825 /nfs/dbraw/zinc/50/98/25/430509825.db2.gz NHTVTZNSYJEUBK-KBXCAEBGSA-N 1 3 321.424 2.700 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H]2CCC3(CCCC3)O2)C1 ZINC000548918372 430511273 /nfs/dbraw/zinc/51/12/73/430511273.db2.gz PRKPXAROWRTJRG-QZTJIDSGSA-N 1 3 324.509 2.911 20 0 DFADHO C[C@@H]1C[C@H](CCNCc2cnccn2)C[N@@H+]1Cc1ccccc1 ZINC000570176977 430521698 /nfs/dbraw/zinc/52/16/98/430521698.db2.gz KHAICYOELRTPLM-AEFFLSMTSA-N 1 3 310.445 2.867 20 0 DFADHO C[C@@H]1C[C@H](CCNCc2cnccn2)C[N@H+]1Cc1ccccc1 ZINC000570176977 430521701 /nfs/dbraw/zinc/52/17/01/430521701.db2.gz KHAICYOELRTPLM-AEFFLSMTSA-N 1 3 310.445 2.867 20 0 DFADHO CSC[C@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000570202540 430521734 /nfs/dbraw/zinc/52/17/34/430521734.db2.gz MZVLHTRZYSIQGQ-QZTJIDSGSA-N 1 3 322.518 2.602 20 0 DFADHO CSC[C@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000570202540 430521736 /nfs/dbraw/zinc/52/17/36/430521736.db2.gz MZVLHTRZYSIQGQ-QZTJIDSGSA-N 1 3 322.518 2.602 20 0 DFADHO CSC[C@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000570202540 430521738 /nfs/dbraw/zinc/52/17/38/430521738.db2.gz MZVLHTRZYSIQGQ-QZTJIDSGSA-N 1 3 322.518 2.602 20 0 DFADHO CSC[C@@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000570202541 430521915 /nfs/dbraw/zinc/52/19/15/430521915.db2.gz MZVLHTRZYSIQGQ-ROUUACIJSA-N 1 3 322.518 2.602 20 0 DFADHO CSC[C@@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000570202541 430521918 /nfs/dbraw/zinc/52/19/18/430521918.db2.gz MZVLHTRZYSIQGQ-ROUUACIJSA-N 1 3 322.518 2.602 20 0 DFADHO CSC[C@@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000570202541 430521920 /nfs/dbraw/zinc/52/19/20/430521920.db2.gz MZVLHTRZYSIQGQ-ROUUACIJSA-N 1 3 322.518 2.602 20 0 DFADHO c1[nH]c2ncncc2c1CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000639117309 430532513 /nfs/dbraw/zinc/53/25/13/430532513.db2.gz GFICHSDXPDVFRK-INIZCTEOSA-N 1 3 321.428 2.521 20 0 DFADHO c1[nH]c2ncncc2c1CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000639117309 430532516 /nfs/dbraw/zinc/53/25/16/430532516.db2.gz GFICHSDXPDVFRK-INIZCTEOSA-N 1 3 321.428 2.521 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOC[C@H]2CCCO2)C[C@@H]1c1ccccc1 ZINC000551050765 430549212 /nfs/dbraw/zinc/54/92/12/430549212.db2.gz BROPTPLQOGONEP-IPMKNSEASA-N 1 3 318.461 2.607 20 0 DFADHO C[N@H+]1CC[C@H](NCCOC[C@H]2CCCO2)C[C@@H]1c1ccccc1 ZINC000551050765 430549216 /nfs/dbraw/zinc/54/92/16/430549216.db2.gz BROPTPLQOGONEP-IPMKNSEASA-N 1 3 318.461 2.607 20 0 DFADHO C[NH+](C)C1(CNCCC(=O)Nc2ccccc2)CCCCC1 ZINC000570530126 430553131 /nfs/dbraw/zinc/55/31/31/430553131.db2.gz NASLHZRGMHDVHX-UHFFFAOYSA-N 1 3 303.450 2.869 20 0 DFADHO Cn1ccnc1[C@@H](C1CC1)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639176480 430555567 /nfs/dbraw/zinc/55/55/67/430555567.db2.gz HVCGXSNCFMCGBT-DLBZAZTESA-N 1 3 302.466 2.535 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(CC)CC)CC2)CC1 ZINC000570643880 430561599 /nfs/dbraw/zinc/56/15/99/430561599.db2.gz BNGHBISJTGNHBI-UHFFFAOYSA-N 1 3 323.525 2.878 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000643451855 430601275 /nfs/dbraw/zinc/60/12/75/430601275.db2.gz LJKZNCHVQSNWGC-MOPGFXCFSA-N 1 3 319.493 2.557 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@@H](O)CC23CCC3)cc1 ZINC000643296204 430576933 /nfs/dbraw/zinc/57/69/33/430576933.db2.gz KSRSSNWNECHRMT-QGZVFWFLSA-N 1 3 318.461 2.506 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@@H](O)CC23CCC3)cc1 ZINC000643296204 430576936 /nfs/dbraw/zinc/57/69/36/430576936.db2.gz KSRSSNWNECHRMT-QGZVFWFLSA-N 1 3 318.461 2.506 20 0 DFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000570811516 430580332 /nfs/dbraw/zinc/58/03/32/430580332.db2.gz FTTJLGDQVREJFA-ZIAGYGMSSA-N 1 3 316.449 2.532 20 0 DFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)[N@H+]1CCC[C@@H](C)C1 ZINC000570811516 430580335 /nfs/dbraw/zinc/58/03/35/430580335.db2.gz FTTJLGDQVREJFA-ZIAGYGMSSA-N 1 3 316.449 2.532 20 0 DFADHO CO[C@@](C)(C[NH2+]Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000643338933 430586185 /nfs/dbraw/zinc/58/61/85/430586185.db2.gz GNJGDQQOMOOVQD-SFHVURJKSA-N 1 3 306.450 2.532 20 0 DFADHO CCC[NH+]1CCC(Nc2cccc(CN3CC[C@H](O)C3)c2)CC1 ZINC000643349121 430589685 /nfs/dbraw/zinc/58/96/85/430589685.db2.gz LGVKLVVMKXYLQS-IBGZPJMESA-N 1 3 317.477 2.540 20 0 DFADHO COc1cc(CNCC[C@H]2CCC[N@H+](C)C2)c(Cl)cc1O ZINC000639257763 430590471 /nfs/dbraw/zinc/59/04/71/430590471.db2.gz RFAVDHADBNJAQL-GFCCVEGCSA-N 1 3 312.841 2.876 20 0 DFADHO COc1cc(CNCC[C@H]2CCC[N@@H+](C)C2)c(Cl)cc1O ZINC000639257763 430590475 /nfs/dbraw/zinc/59/04/75/430590475.db2.gz RFAVDHADBNJAQL-GFCCVEGCSA-N 1 3 312.841 2.876 20 0 DFADHO O=C(C[NH2+][C@H]1CCCC[C@@H]1C1CC1)NCCN1CCCCCC1 ZINC000552279470 430593099 /nfs/dbraw/zinc/59/30/99/430593099.db2.gz MBAZCMCOUHRDNQ-MSOLQXFVSA-N 1 3 321.509 2.537 20 0 DFADHO C[C@H](C(=O)Nc1ccccc1CN(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000554727474 430650839 /nfs/dbraw/zinc/65/08/39/430650839.db2.gz DAZFLODWGIGSRG-QLFBSQMISA-N 1 3 303.450 2.948 20 0 DFADHO C[C@H](C(=O)Nc1ccccc1CN(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000554727474 430650840 /nfs/dbraw/zinc/65/08/40/430650840.db2.gz DAZFLODWGIGSRG-QLFBSQMISA-N 1 3 303.450 2.948 20 0 DFADHO CCC(CC)[N@H+](CC)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000571798071 430653647 /nfs/dbraw/zinc/65/36/47/430653647.db2.gz UOLFBRXNEVJFKH-SFHVURJKSA-N 1 3 319.493 2.916 20 0 DFADHO CCC(CC)[N@@H+](CC)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000571798071 430653648 /nfs/dbraw/zinc/65/36/48/430653648.db2.gz UOLFBRXNEVJFKH-SFHVURJKSA-N 1 3 319.493 2.916 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2c(C)cc(C)nc2C)C1 ZINC000639508941 430658700 /nfs/dbraw/zinc/65/87/00/430658700.db2.gz UVGITTWPONOREY-SFHVURJKSA-N 1 3 319.493 2.940 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c(C)cc(C)nc2C)C1 ZINC000639508940 430659049 /nfs/dbraw/zinc/65/90/49/430659049.db2.gz UVGITTWPONOREY-GOSISDBHSA-N 1 3 319.493 2.940 20 0 DFADHO Clc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCNCC3)C2)cc1 ZINC000643453245 430602657 /nfs/dbraw/zinc/60/26/57/430602657.db2.gz SZGDJXGCSCFGMO-GOEBONIOSA-N 1 3 307.869 2.898 20 0 DFADHO FC(F)(F)c1ccc(N2CC[C@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000643455538 430602825 /nfs/dbraw/zinc/60/28/25/430602825.db2.gz RUULWHKBCDETMA-AWEZNQCLSA-N 1 3 313.367 2.626 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)[C@@H]1CCCNC1 ZINC000643459104 430603728 /nfs/dbraw/zinc/60/37/28/430603728.db2.gz WBJSKBVINTWMNX-LSDHHAIUSA-N 1 3 318.461 2.713 20 0 DFADHO C[C@H](NCC(C)(C)c1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000643459104 430603729 /nfs/dbraw/zinc/60/37/29/430603729.db2.gz WBJSKBVINTWMNX-LSDHHAIUSA-N 1 3 318.461 2.713 20 0 DFADHO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@H]1CCCNC1 ZINC000643464287 430605868 /nfs/dbraw/zinc/60/58/68/430605868.db2.gz GARJUACZOKCKCC-KBPBESRZSA-N 1 3 307.507 2.932 20 0 DFADHO C[C@H](NCCCc1nc2c(s1)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000643464287 430605870 /nfs/dbraw/zinc/60/58/70/430605870.db2.gz GARJUACZOKCKCC-KBPBESRZSA-N 1 3 307.507 2.932 20 0 DFADHO C[C@@H](NCCc1cc(C(F)(F)F)ccn1)[C@H]1CCC[NH2+]C1 ZINC000643491027 430608651 /nfs/dbraw/zinc/60/86/51/430608651.db2.gz ROFWGQNYKDXJGS-NEPJUHHUSA-N 1 3 301.356 2.621 20 0 DFADHO Clc1ccc(CN2CCC(NCC[NH2+]C3CC3)CC2)cc1 ZINC000643506326 430610021 /nfs/dbraw/zinc/61/00/21/430610021.db2.gz SBNABIIOWIAJPB-UHFFFAOYSA-N 1 3 307.869 2.646 20 0 DFADHO C[C@@]1(C[NH+]2CCC(N3CC[C@@H](O)C3)CC2)C[C@H]1c1ccccc1 ZINC000639330508 430612345 /nfs/dbraw/zinc/61/23/45/430612345.db2.gz LFHIFRXEPLEQHD-AABGKKOBSA-N 1 3 314.473 2.711 20 0 DFADHO COc1ccc2c(c1)[C@H](N[C@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643534938 430612485 /nfs/dbraw/zinc/61/24/85/430612485.db2.gz FZOUSULWRAGPKF-WBVHZDCISA-N 1 3 302.418 2.641 20 0 DFADHO Cn1cc([C@H](NC[C@H]2CCC[C@@H]([NH3+])C2)c2cccc(F)c2)cn1 ZINC000643541144 430614022 /nfs/dbraw/zinc/61/40/22/430614022.db2.gz PKJKJPLTSDEYFV-MORSLUCNSA-N 1 3 316.424 2.756 20 0 DFADHO CN1CCCC[C@@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639345912 430616730 /nfs/dbraw/zinc/61/67/30/430616730.db2.gz CLJPEEFZJXYGJD-ZWKOTPCHSA-N 1 3 301.478 2.834 20 0 DFADHO CO[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000639359402 430619875 /nfs/dbraw/zinc/61/98/75/430619875.db2.gz MGFABKKLWUWVGO-ATZDWAIDSA-N 1 3 302.462 2.769 20 0 DFADHO CO[C@H](CNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000639359402 430619876 /nfs/dbraw/zinc/61/98/76/430619876.db2.gz MGFABKKLWUWVGO-ATZDWAIDSA-N 1 3 302.462 2.769 20 0 DFADHO CO[C@H](CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000639359402 430619880 /nfs/dbraw/zinc/61/98/80/430619880.db2.gz MGFABKKLWUWVGO-ATZDWAIDSA-N 1 3 302.462 2.769 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000554310930 430632889 /nfs/dbraw/zinc/63/28/89/430632889.db2.gz UPRIWKPFNPLSHP-HOTGVXAUSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCCO[C@H]2c2cc[nH]n2)CC1 ZINC000643821955 430633676 /nfs/dbraw/zinc/63/36/76/430633676.db2.gz IBZFQCLNBRUFIU-WMLDXEAASA-N 1 3 320.481 2.730 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CCCO[C@H]2c2cc[nH]n2)CC1 ZINC000643821955 430633677 /nfs/dbraw/zinc/63/36/77/430633677.db2.gz IBZFQCLNBRUFIU-WMLDXEAASA-N 1 3 320.481 2.730 20 0 DFADHO CCOCc1cc(CN2CCC(CC[NH3+])CC2)ccc1OC ZINC000571567779 430638539 /nfs/dbraw/zinc/63/85/39/430638539.db2.gz CJSIAGFZAJBWCM-UHFFFAOYSA-N 1 3 306.450 2.793 20 0 DFADHO O=c1cc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc[nH]1 ZINC000639451146 430642695 /nfs/dbraw/zinc/64/26/95/430642695.db2.gz KWSLXCAOZXPXHD-UHFFFAOYSA-N 1 3 303.450 2.875 20 0 DFADHO CC(C)N1CCN(CCC[NH+]2CCc3ccccc3CC2)CC1 ZINC000554545194 430642960 /nfs/dbraw/zinc/64/29/60/430642960.db2.gz LNCFJIXNZJWNOK-UHFFFAOYSA-N 1 3 315.505 2.503 20 0 DFADHO C[C@@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCCNC1 ZINC000571669468 430644095 /nfs/dbraw/zinc/64/40/95/430644095.db2.gz NMKZPKHXZJQDBF-TZMCWYRMSA-N 1 3 324.852 2.631 20 0 DFADHO C[C@@H](NCCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000571669468 430644099 /nfs/dbraw/zinc/64/40/99/430644099.db2.gz NMKZPKHXZJQDBF-TZMCWYRMSA-N 1 3 324.852 2.631 20 0 DFADHO C[C@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCCNC1 ZINC000571669465 430644359 /nfs/dbraw/zinc/64/43/59/430644359.db2.gz NMKZPKHXZJQDBF-GXTWGEPZSA-N 1 3 324.852 2.631 20 0 DFADHO C[C@H](NCCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000571669465 430644362 /nfs/dbraw/zinc/64/43/62/430644362.db2.gz NMKZPKHXZJQDBF-GXTWGEPZSA-N 1 3 324.852 2.631 20 0 DFADHO CN(Cc1ccc2c(c1)C[NH2+]CC2)[C@H](CCO)c1ccccc1 ZINC000571691237 430645946 /nfs/dbraw/zinc/64/59/46/430645946.db2.gz PGUVMXIMPLGYPC-HXUWFJFHSA-N 1 3 310.441 2.888 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000319385458 533690576 /nfs/dbraw/zinc/69/05/76/533690576.db2.gz KJETXUPSDCGFDR-HYVNUMGLSA-N 1 3 301.434 2.620 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000319385458 533690589 /nfs/dbraw/zinc/69/05/89/533690589.db2.gz KJETXUPSDCGFDR-HYVNUMGLSA-N 1 3 301.434 2.620 20 0 DFADHO c1cnc(CCN2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000639545845 430668333 /nfs/dbraw/zinc/66/83/33/430668333.db2.gz CEZXDNJLXFYIJS-UHFFFAOYSA-N 1 3 302.466 2.607 20 0 DFADHO CC(C)N1CCN(CCC[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000555591856 430670504 /nfs/dbraw/zinc/67/05/04/430670504.db2.gz DDHKESOSDOIPKE-UHFFFAOYSA-N 1 3 319.537 2.817 20 0 DFADHO C[C@@H](NCCNc1ncc(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000572234308 430677467 /nfs/dbraw/zinc/67/74/67/430677467.db2.gz RCNLGRSWCHFOAJ-MNOVXSKESA-N 1 3 317.264 2.778 20 0 DFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc[nH]c(=O)c1 ZINC000639589035 430677949 /nfs/dbraw/zinc/67/79/49/430677949.db2.gz IKYWQAYSAAJNFV-YJBOKZPZSA-N 1 3 311.429 2.787 20 0 DFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc[nH]c(=O)c1 ZINC000639589035 430677951 /nfs/dbraw/zinc/67/79/51/430677951.db2.gz IKYWQAYSAAJNFV-YJBOKZPZSA-N 1 3 311.429 2.787 20 0 DFADHO C[C@@H](CCNC[C@H](O)CCc1ccccc1)[NH+]1CCCCC1 ZINC000572715233 430695249 /nfs/dbraw/zinc/69/52/49/430695249.db2.gz WWVZJNHGLLUWRD-PKOBYXMFSA-N 1 3 304.478 2.834 20 0 DFADHO C[C@@H](CC[NH2+]C[C@H](O)CCc1ccccc1)N1CCCCC1 ZINC000572715233 430695251 /nfs/dbraw/zinc/69/52/51/430695251.db2.gz WWVZJNHGLLUWRD-PKOBYXMFSA-N 1 3 304.478 2.834 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCCN(C(C)(C)C)CC2)c1 ZINC000572992614 430699245 /nfs/dbraw/zinc/69/92/45/430699245.db2.gz VKKMDPYCCXYPPK-UHFFFAOYSA-N 1 3 318.465 2.792 20 0 DFADHO Cc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c2ccccc2n1 ZINC000664598243 430702793 /nfs/dbraw/zinc/70/27/93/430702793.db2.gz GFQKIUOMQZIIOD-MRXNPFEDSA-N 1 3 311.429 2.579 20 0 DFADHO Cc1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c2ccccc2n1 ZINC000664598243 430702796 /nfs/dbraw/zinc/70/27/96/430702796.db2.gz GFQKIUOMQZIIOD-MRXNPFEDSA-N 1 3 311.429 2.579 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCC(C)C)CC2)CC1 ZINC000654470646 430704125 /nfs/dbraw/zinc/70/41/25/430704125.db2.gz NINOEYCARPDMOZ-UHFFFAOYSA-N 1 3 323.525 2.687 20 0 DFADHO OC(C[NH2+]C1CCN(C2CCCCC2)CC1)(C1CC1)C1CC1 ZINC000657699444 430709657 /nfs/dbraw/zinc/70/96/57/430709657.db2.gz IRRDNFJFZRUDBM-UHFFFAOYSA-N 1 3 306.494 2.924 20 0 DFADHO OC(CNC1CC[NH+](C2CCCCC2)CC1)(C1CC1)C1CC1 ZINC000657699444 430709660 /nfs/dbraw/zinc/70/96/60/430709660.db2.gz IRRDNFJFZRUDBM-UHFFFAOYSA-N 1 3 306.494 2.924 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H](CN[C@@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000657773380 430732124 /nfs/dbraw/zinc/73/21/24/430732124.db2.gz RDABJMFOUUBHTD-QZTJIDSGSA-N 1 3 300.446 2.667 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H](CN[C@@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000657773380 430732134 /nfs/dbraw/zinc/73/21/34/430732134.db2.gz RDABJMFOUUBHTD-QZTJIDSGSA-N 1 3 300.446 2.667 20 0 DFADHO CC(=O)Nc1ccccc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657812874 430744766 /nfs/dbraw/zinc/74/47/66/430744766.db2.gz JGAMBSMUQPXCRL-UHFFFAOYSA-N 1 3 315.461 2.857 20 0 DFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc2cnccc2o1 ZINC000657836558 430750400 /nfs/dbraw/zinc/75/04/00/430750400.db2.gz TVWIKBYONDLQLI-HNNXBMFYSA-N 1 3 316.449 2.506 20 0 DFADHO CC[C@H](C[NH+]1CCCC1)NCCC(=O)Nc1cccc(F)c1C ZINC000644569337 430756680 /nfs/dbraw/zinc/75/66/80/430756680.db2.gz IYCWRDQGLWUUOO-OAHLLOKOSA-N 1 3 321.440 2.927 20 0 DFADHO COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000657869936 430757634 /nfs/dbraw/zinc/75/76/34/430757634.db2.gz AOQSHYLCMDDCLP-ZWKOTPCHSA-N 1 3 312.498 2.528 20 0 DFADHO COC[C@@H](CC1CCOCC1)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000657869936 430757641 /nfs/dbraw/zinc/75/76/41/430757641.db2.gz AOQSHYLCMDDCLP-ZWKOTPCHSA-N 1 3 312.498 2.528 20 0 DFADHO COC[C@@H](CC1CCOCC1)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000657869936 430757644 /nfs/dbraw/zinc/75/76/44/430757644.db2.gz AOQSHYLCMDDCLP-ZWKOTPCHSA-N 1 3 312.498 2.528 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1ccncc1Cl ZINC000658108760 430814748 /nfs/dbraw/zinc/81/47/48/430814748.db2.gz RXHPTUHIBGPPGE-KBPBESRZSA-N 1 3 312.889 2.658 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)cc2)C1 ZINC000658134339 430821772 /nfs/dbraw/zinc/82/17/72/430821772.db2.gz AKJPYQBCHXMBSA-AABGKKOBSA-N 1 3 314.473 2.922 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)C1 ZINC000658137151 430822337 /nfs/dbraw/zinc/82/23/37/430822337.db2.gz JBPZBOJLFPTPRG-MANSERQUSA-N 1 3 300.446 2.531 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C1CCCC1 ZINC000658139890 430822484 /nfs/dbraw/zinc/82/24/84/430822484.db2.gz NOCGHPKSMMSGQE-KXBFYZLASA-N 1 3 302.462 2.922 20 0 DFADHO C[C@H](CC1CCC1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658141280 430822898 /nfs/dbraw/zinc/82/28/98/430822898.db2.gz SMBSHPWQXPMMCP-BEFAXECRSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658139292 430823022 /nfs/dbraw/zinc/82/30/22/430823022.db2.gz QMCCFDTWXAFWQY-DNVCBOLYSA-N 1 3 314.429 2.567 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)C1 ZINC000658147375 430825743 /nfs/dbraw/zinc/82/57/43/430825743.db2.gz ZOZHDLDGNWAOPY-NRFANRHFSA-N 1 3 322.452 2.510 20 0 DFADHO COC[C@@H](N[C@H](C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000658162677 430831717 /nfs/dbraw/zinc/83/17/17/430831717.db2.gz FIZBRWPZYBMHPX-RDTXWAMCSA-N 1 3 306.450 2.703 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)[C@H]1CCCC[C@H]1C ZINC000648450655 430791277 /nfs/dbraw/zinc/79/12/77/430791277.db2.gz ZMABPLRHGFSSPP-VXNCWWDNSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1cccc(OCCN(C)C)c1 ZINC000658254449 430852569 /nfs/dbraw/zinc/85/25/69/430852569.db2.gz NSKGVFAALCNBQF-JCGIZDLHSA-N 1 3 318.461 2.581 20 0 DFADHO CCc1cccc(C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000651708884 430855194 /nfs/dbraw/zinc/85/51/94/430855194.db2.gz DPDCTAWMGFDUSM-GOSISDBHSA-N 1 3 301.478 2.507 20 0 DFADHO Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000658266234 430857147 /nfs/dbraw/zinc/85/71/47/430857147.db2.gz GMSYVRJHVSRYRK-XIRDDKMYSA-N 1 3 302.466 2.650 20 0 DFADHO C[C@@H]1[C@@H](O)CCCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648723992 430870034 /nfs/dbraw/zinc/87/00/34/430870034.db2.gz LCYMPBNDISHDFH-APWZRJJASA-N 1 3 318.461 2.506 20 0 DFADHO Cn1cc(C[C@@H]2CCC[C@@H]2N[C@@H]2C[C@@H]([NH3+])c3ccccc32)cn1 ZINC000665273177 430879083 /nfs/dbraw/zinc/87/90/83/430879083.db2.gz QZBFTFWPAPBWSU-KLIQENQMSA-N 1 3 310.445 2.866 20 0 DFADHO CCCN1CC[C@H](N[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000665273910 430879588 /nfs/dbraw/zinc/87/95/88/430879588.db2.gz GNCYBXRQXVMJIZ-YTQUADARSA-N 1 3 317.477 2.562 20 0 DFADHO Brc1cccc2c1C[C@H]([NH2+]CC13CC(C1)CN3)CC2 ZINC000665279735 430880274 /nfs/dbraw/zinc/88/02/74/430880274.db2.gz KQHRHLBXQYKHCT-RYCVTPFZSA-N 1 3 321.262 2.648 20 0 DFADHO COc1cccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1C ZINC000658346132 430881608 /nfs/dbraw/zinc/88/16/08/430881608.db2.gz CVNRNTYUJBJKOS-SFHVURJKSA-N 1 3 318.461 2.737 20 0 DFADHO CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)C1CNC1 ZINC000665283049 430883160 /nfs/dbraw/zinc/88/31/60/430883160.db2.gz GNBJGKIQKQHIBL-NHYWBVRUSA-N 1 3 311.267 2.968 20 0 DFADHO CC[C@@H](Cc1ccc(Br)cc1)N[C@@H](C)C1C[NH2+]C1 ZINC000665283049 430883163 /nfs/dbraw/zinc/88/31/63/430883163.db2.gz GNBJGKIQKQHIBL-NHYWBVRUSA-N 1 3 311.267 2.968 20 0 DFADHO COc1cc(OC)c(CNC2CCC([NH+](C)C)CC2)cc1F ZINC000651833579 430892667 /nfs/dbraw/zinc/89/26/67/430892667.db2.gz HJLZANNYEPTTGL-UHFFFAOYSA-N 1 3 310.413 2.805 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000648794062 430894482 /nfs/dbraw/zinc/89/44/82/430894482.db2.gz LLKMOWMUTYMZJE-QGZVFWFLSA-N 1 3 320.477 2.610 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000648794062 430894483 /nfs/dbraw/zinc/89/44/83/430894483.db2.gz LLKMOWMUTYMZJE-QGZVFWFLSA-N 1 3 320.477 2.610 20 0 DFADHO CO[C@@H]([C@@H](C)[NH2+]Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000648797001 430896212 /nfs/dbraw/zinc/89/62/12/430896212.db2.gz CGVKBEOINOESOW-KDOFPFPSSA-N 1 3 306.450 2.530 20 0 DFADHO CC[N@H+](Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCCOC1 ZINC000651948346 430922835 /nfs/dbraw/zinc/92/28/35/430922835.db2.gz JNVTXHJKOHWCTO-QGZVFWFLSA-N 1 3 306.450 2.628 20 0 DFADHO CC[N@@H+](Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCCOC1 ZINC000651948346 430922839 /nfs/dbraw/zinc/92/28/39/430922839.db2.gz JNVTXHJKOHWCTO-QGZVFWFLSA-N 1 3 306.450 2.628 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCSC3)CC2)C[C@@H](C)O1 ZINC000365869930 278744457 /nfs/dbraw/zinc/74/44/57/278744457.db2.gz DDJIADLQMYUFAX-INMHGKMJSA-N 1 3 312.523 2.561 20 0 DFADHO C[NH+](C)CC1(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCCC1 ZINC000655351182 430974030 /nfs/dbraw/zinc/97/40/30/430974030.db2.gz PGRHTBQBMJBMQJ-IRXDYDNUSA-N 1 3 321.509 2.632 20 0 DFADHO O[C@@H]1CCN(C2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C1 ZINC000662155470 430982941 /nfs/dbraw/zinc/98/29/41/430982941.db2.gz JIWGZSZQUGTHFP-GOSISDBHSA-N 1 3 322.880 2.804 20 0 DFADHO CCCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000648997154 430963369 /nfs/dbraw/zinc/96/33/69/430963369.db2.gz KATUJCPKDPLDJU-QGZVFWFLSA-N 1 3 309.498 2.584 20 0 DFADHO CCCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000648997154 430963373 /nfs/dbraw/zinc/96/33/73/430963373.db2.gz KATUJCPKDPLDJU-QGZVFWFLSA-N 1 3 309.498 2.584 20 0 DFADHO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)c1C ZINC000662256233 431020526 /nfs/dbraw/zinc/02/05/26/431020526.db2.gz JOJUBPZCXDXKNX-WMZOPIPTSA-N 1 3 300.446 2.961 20 0 DFADHO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)c1C ZINC000662256233 431020530 /nfs/dbraw/zinc/02/05/30/431020530.db2.gz JOJUBPZCXDXKNX-WMZOPIPTSA-N 1 3 300.446 2.961 20 0 DFADHO COc1cccc2c1CCN(Cc1cccc3c1CC[NH2+]C3)C2 ZINC000662278275 431029405 /nfs/dbraw/zinc/02/94/05/431029405.db2.gz DOGJGQGANVZGRK-UHFFFAOYSA-N 1 3 308.425 2.899 20 0 DFADHO c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@@H](N4CCNCC4)C3)C2)cc1 ZINC000662277634 431030575 /nfs/dbraw/zinc/03/05/75/431030575.db2.gz RAEYHOFLWFZDPK-MISYRCLQSA-N 1 3 313.489 2.550 20 0 DFADHO c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@@H](N4CCNCC4)C3)C2)cc1 ZINC000662277634 431030583 /nfs/dbraw/zinc/03/05/83/431030583.db2.gz RAEYHOFLWFZDPK-MISYRCLQSA-N 1 3 313.489 2.550 20 0 DFADHO C[C@@H]1CCCN(CCOCCOc2ccccc2)[C@H]1CC[NH3+] ZINC000652354437 431030865 /nfs/dbraw/zinc/03/08/65/431030865.db2.gz YRDDRJKXJVQBLN-AEFFLSMTSA-N 1 3 306.450 2.531 20 0 DFADHO c1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c2c(c1)CNCC2 ZINC000662284632 431032873 /nfs/dbraw/zinc/03/28/73/431032873.db2.gz YNPPJHRJBXXPGJ-HKUYNNGSSA-N 1 3 300.446 2.723 20 0 DFADHO c1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c2c(c1)CNCC2 ZINC000662284632 431032877 /nfs/dbraw/zinc/03/28/77/431032877.db2.gz YNPPJHRJBXXPGJ-HKUYNNGSSA-N 1 3 300.446 2.723 20 0 DFADHO FC(F)(F)[C@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC12CCC2 ZINC000662280827 431033635 /nfs/dbraw/zinc/03/36/35/431033635.db2.gz GCHXACWCUHRCHL-OLZOCXBDSA-N 1 3 318.383 2.562 20 0 DFADHO CC(C)N(C(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1)C(C)C ZINC000662291098 431035104 /nfs/dbraw/zinc/03/51/04/431035104.db2.gz PFCMPMQCQUTCCK-AEFFLSMTSA-N 1 3 323.525 2.732 20 0 DFADHO Cc1ccc2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)cn2c1 ZINC000662295561 431039194 /nfs/dbraw/zinc/03/91/94/431039194.db2.gz VEWJONXAYMXJSO-KRWDZBQOSA-N 1 3 312.461 2.854 20 0 DFADHO c1ccc(O[C@@H]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000662315218 431043820 /nfs/dbraw/zinc/04/38/20/431043820.db2.gz CRHBLRHVLXUAQS-HXUWFJFHSA-N 1 3 308.425 2.986 20 0 DFADHO C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C[C@H]1CCc2ccccc21 ZINC000662320987 431045578 /nfs/dbraw/zinc/04/55/78/431045578.db2.gz GDDJGOOXRWVESV-GIVPXCGWSA-N 1 3 324.468 2.579 20 0 DFADHO C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C[C@H]1CCc2ccccc21 ZINC000662320987 431045581 /nfs/dbraw/zinc/04/55/81/431045581.db2.gz GDDJGOOXRWVESV-GIVPXCGWSA-N 1 3 324.468 2.579 20 0 DFADHO CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C[C@H]1CCc2ccccc21 ZINC000662320987 431045584 /nfs/dbraw/zinc/04/55/84/431045584.db2.gz GDDJGOOXRWVESV-GIVPXCGWSA-N 1 3 324.468 2.579 20 0 DFADHO CN(CCN1CCC[C@H]1[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000649296960 431060809 /nfs/dbraw/zinc/06/08/09/431060809.db2.gz VIHGIIDKFIERQZ-MOPGFXCFSA-N 1 3 301.478 2.677 20 0 DFADHO CN(CCN1CCC[C@H]1[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000649296960 431060817 /nfs/dbraw/zinc/06/08/17/431060817.db2.gz VIHGIIDKFIERQZ-MOPGFXCFSA-N 1 3 301.478 2.677 20 0 DFADHO CN(CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C)Cc1ccccc1 ZINC000649296960 431060821 /nfs/dbraw/zinc/06/08/21/431060821.db2.gz VIHGIIDKFIERQZ-MOPGFXCFSA-N 1 3 301.478 2.677 20 0 DFADHO CN(CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C)Cc1ccccc1 ZINC000649296960 431060824 /nfs/dbraw/zinc/06/08/24/431060824.db2.gz VIHGIIDKFIERQZ-MOPGFXCFSA-N 1 3 301.478 2.677 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)c1ccccc1 ZINC000662391646 431068399 /nfs/dbraw/zinc/06/83/99/431068399.db2.gz DSXFRYDRIZMRJS-SJORKVTESA-N 1 3 317.477 2.574 20 0 DFADHO CN(Cc1csc2ccccc12)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248953 431013547 /nfs/dbraw/zinc/01/35/47/431013547.db2.gz MKWFJZKWZUPOSD-AWEZNQCLSA-N 1 3 302.443 2.854 20 0 DFADHO CCC[N@H+](C[C@H]1CCC2(CNC2)O1)[C@H]1CCc2ccccc2C1 ZINC000662255113 431015334 /nfs/dbraw/zinc/01/53/34/431015334.db2.gz WPIHGTXSUADCFR-RBUKOAKNSA-N 1 3 314.473 2.777 20 0 DFADHO CCC[N@@H+](C[C@H]1CCC2(CNC2)O1)[C@H]1CCc2ccccc2C1 ZINC000662255113 431015335 /nfs/dbraw/zinc/01/53/35/431015335.db2.gz WPIHGTXSUADCFR-RBUKOAKNSA-N 1 3 314.473 2.777 20 0 DFADHO C[C@H](O)CN(Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662251162 431015364 /nfs/dbraw/zinc/01/53/64/431015364.db2.gz AGJWYIWVOCKEES-INIZCTEOSA-N 1 3 310.441 2.715 20 0 DFADHO CCC[N@H+](C[C@H]1CCC2(CNC2)O1)[C@@H]1CCc2ccccc2C1 ZINC000662255114 431016116 /nfs/dbraw/zinc/01/61/16/431016116.db2.gz WPIHGTXSUADCFR-RTBURBONSA-N 1 3 314.473 2.777 20 0 DFADHO CCC[N@@H+](C[C@H]1CCC2(CNC2)O1)[C@@H]1CCc2ccccc2C1 ZINC000662255114 431016121 /nfs/dbraw/zinc/01/61/21/431016121.db2.gz WPIHGTXSUADCFR-RTBURBONSA-N 1 3 314.473 2.777 20 0 DFADHO Fc1ccc([C@H]([NH2+]C[C@@H]2CCC3(CNC3)O2)C2CCC2)cc1 ZINC000662259491 431018175 /nfs/dbraw/zinc/01/81/75/431018175.db2.gz YFZBWILPGNUAGH-DLBZAZTESA-N 1 3 304.409 2.778 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)C[C@H]1NCc2ccccc21 ZINC000659302297 431018479 /nfs/dbraw/zinc/01/84/79/431018479.db2.gz DNTPNMRDECIJDQ-GOSISDBHSA-N 1 3 309.413 2.969 20 0 DFADHO CCN(CCC[NH+](CC)CC)C(=O)C[C@H]1NCc2ccccc21 ZINC000662535840 431108819 /nfs/dbraw/zinc/10/88/19/431108819.db2.gz UVVFSUYQLSCSBA-GOSISDBHSA-N 1 3 317.477 2.801 20 0 DFADHO CC(C)[C@@H]([NH3+])CC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000645927561 431115691 /nfs/dbraw/zinc/11/56/91/431115691.db2.gz SPUGYNZRLKEVSB-HOCLYGCPSA-N 1 3 305.466 2.605 20 0 DFADHO CC(C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000662401384 431070812 /nfs/dbraw/zinc/07/08/12/431070812.db2.gz SZYVYSVXDBGSTN-SFHVURJKSA-N 1 3 317.477 2.574 20 0 DFADHO NCc1cccc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c1 ZINC000662393897 431070997 /nfs/dbraw/zinc/07/09/97/431070997.db2.gz YZXWGYUYEBDVTH-MRXNPFEDSA-N 1 3 309.413 2.776 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)c1cc2c(s1)CCNC2 ZINC000662442709 431080840 /nfs/dbraw/zinc/08/08/40/431080840.db2.gz RKGULWLREVOXCQ-UHFFFAOYSA-N 1 3 323.506 2.636 20 0 DFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662450612 431085394 /nfs/dbraw/zinc/08/53/94/431085394.db2.gz UBQPXBPCWUJGNL-DAYGRLMNSA-N 1 3 315.461 2.600 20 0 DFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662450612 431085398 /nfs/dbraw/zinc/08/53/98/431085398.db2.gz UBQPXBPCWUJGNL-DAYGRLMNSA-N 1 3 315.461 2.600 20 0 DFADHO CCC[C@](C)(N)C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000361709958 278965595 /nfs/dbraw/zinc/96/55/95/278965595.db2.gz AMLIUTNBKVRTKJ-IBGZPJMESA-N 1 3 315.461 2.689 20 0 DFADHO c1cn2c(n1)[C@H](NCC1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000655724301 431100887 /nfs/dbraw/zinc/10/08/87/431100887.db2.gz UASCFBDSEUXBNO-QGZVFWFLSA-N 1 3 311.433 2.619 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H](C)SC2)C[C@H](C)O1 ZINC000655729141 431103571 /nfs/dbraw/zinc/10/35/71/431103571.db2.gz GQQVRQYPRCYLFF-QKPAOTATSA-N 1 3 300.512 2.750 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662523653 431104868 /nfs/dbraw/zinc/10/48/68/431104868.db2.gz QHZVCSCAIVPWRI-CRAIPNDOSA-N 1 3 317.477 2.848 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662523656 431105407 /nfs/dbraw/zinc/10/54/07/431105407.db2.gz QHZVCSCAIVPWRI-YJBOKZPZSA-N 1 3 317.477 2.848 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1ccco1)N1CCCC1 ZINC000249298955 288103734 /nfs/dbraw/zinc/10/37/34/288103734.db2.gz FSBUCLVCWARCHR-WCXIOVBPSA-N 1 3 305.466 2.735 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1ccco1)N1CCCC1 ZINC000249298955 288103738 /nfs/dbraw/zinc/10/37/38/288103738.db2.gz FSBUCLVCWARCHR-WCXIOVBPSA-N 1 3 305.466 2.735 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000249298955 288103741 /nfs/dbraw/zinc/10/37/41/288103741.db2.gz FSBUCLVCWARCHR-WCXIOVBPSA-N 1 3 305.466 2.735 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000371517493 288104796 /nfs/dbraw/zinc/10/47/96/288104796.db2.gz FDRGTELHYOWOPG-CVYSASLGSA-N 1 3 315.505 2.998 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)CC1CCN(C)CC1)CC(C)C ZINC000362764082 279161786 /nfs/dbraw/zinc/16/17/86/279161786.db2.gz YXBLXVWDFMRTCD-KRWDZBQOSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662695971 431164078 /nfs/dbraw/zinc/16/40/78/431164078.db2.gz RNXCZRBZORDBMX-HUUCEWRRSA-N 1 3 321.509 2.521 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000646071432 431170002 /nfs/dbraw/zinc/17/00/02/431170002.db2.gz HQBHNMSNWYXUNT-CPUCHLNUSA-N 1 3 323.506 2.621 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H]1CCCN1C ZINC000649585515 431174790 /nfs/dbraw/zinc/17/47/90/431174790.db2.gz YMLGIIJMSALUNF-ZHALLVOQSA-N 1 3 315.505 2.827 20 0 DFADHO CC(C)[C@H]([NH3+])CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000662728495 431176269 /nfs/dbraw/zinc/17/62/69/431176269.db2.gz SLXZRRMMFIKMLN-OAHLLOKOSA-N 1 3 317.433 2.598 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H]1CCCN1C ZINC000649585514 431177205 /nfs/dbraw/zinc/17/72/05/431177205.db2.gz YMLGIIJMSALUNF-LMMKCTJWSA-N 1 3 315.505 2.827 20 0 DFADHO C[NH+]1CCC2(CC1)CN(CC1CCC(F)(F)CC1)CCO2 ZINC000646106858 431191213 /nfs/dbraw/zinc/19/12/13/431191213.db2.gz WUZUEHPWVGPZPR-UHFFFAOYSA-N 1 3 302.409 2.609 20 0 DFADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)C[C@H]3CCCN3C)C2)s1 ZINC000649603430 431191403 /nfs/dbraw/zinc/19/14/03/431191403.db2.gz MFQPPZYMSSJMJZ-DLBZAZTESA-N 1 3 321.534 2.904 20 0 DFADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)C[C@H]3CCCN3C)C2)s1 ZINC000649603430 431191405 /nfs/dbraw/zinc/19/14/05/431191405.db2.gz MFQPPZYMSSJMJZ-DLBZAZTESA-N 1 3 321.534 2.904 20 0 DFADHO C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1C[C@@H]1CCCN1C ZINC000649547681 431154874 /nfs/dbraw/zinc/15/48/74/431154874.db2.gz ZOVBPKSONBAINS-MJGOQNOKSA-N 1 3 301.478 2.677 20 0 DFADHO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1C[C@@H]1CCCN1C ZINC000649547681 431154881 /nfs/dbraw/zinc/15/48/81/431154881.db2.gz ZOVBPKSONBAINS-MJGOQNOKSA-N 1 3 301.478 2.677 20 0 DFADHO COc1cc(F)c([C@@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000655806307 431156553 /nfs/dbraw/zinc/15/65/53/431156553.db2.gz UTIPHRLGHFVDJW-UPJWGTAASA-N 1 3 310.413 2.834 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662681718 431159896 /nfs/dbraw/zinc/15/98/96/431159896.db2.gz CCRBKSPUBGIYQN-IYBDPMFKSA-N 1 3 321.509 2.522 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662681718 431159904 /nfs/dbraw/zinc/15/99/04/431159904.db2.gz CCRBKSPUBGIYQN-IYBDPMFKSA-N 1 3 321.509 2.522 20 0 DFADHO C[NH+](C)[C@@H](CNC(=O)c1cccc2c1CNC2)C1CCCCC1 ZINC000662679545 431160399 /nfs/dbraw/zinc/16/03/99/431160399.db2.gz QDZANUVWRXBYDQ-SFHVURJKSA-N 1 3 315.461 2.530 20 0 DFADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655907891 431214108 /nfs/dbraw/zinc/21/41/08/431214108.db2.gz PIEQXQZOWFSIAT-IRXDYDNUSA-N 1 3 316.449 2.544 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000655910575 431214665 /nfs/dbraw/zinc/21/46/65/431214665.db2.gz YQRHNRKBJCATPR-SJORKVTESA-N 1 3 316.449 2.592 20 0 DFADHO CN(CCN1CCCCC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000652990217 431219674 /nfs/dbraw/zinc/21/96/74/431219674.db2.gz KIEFTUYMEGDUPL-QGZVFWFLSA-N 1 3 321.509 2.585 20 0 DFADHO CN(CCN1CCCCC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000652990217 431219686 /nfs/dbraw/zinc/21/96/86/431219686.db2.gz KIEFTUYMEGDUPL-QGZVFWFLSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])N1CCCCCC1 ZINC000662893742 431232282 /nfs/dbraw/zinc/23/22/82/431232282.db2.gz QFAORNLBXCSZKF-BRWVUGGUSA-N 1 3 309.498 2.617 20 0 DFADHO CCN1CC[C@H](N2CCC(CC[N@H+](CC)CC(C)C)CC2)C1=O ZINC000660170078 431300211 /nfs/dbraw/zinc/30/02/11/431300211.db2.gz DJTODOHWSHTPDG-SFHVURJKSA-N 1 3 323.525 2.687 20 0 DFADHO CCN1CC[C@H](N2CCC(CC[N@@H+](CC)CC(C)C)CC2)C1=O ZINC000660170078 431300215 /nfs/dbraw/zinc/30/02/15/431300215.db2.gz DJTODOHWSHTPDG-SFHVURJKSA-N 1 3 323.525 2.687 20 0 DFADHO CCN1CC[C@@H](N2CCC(CC[N@H+](CC)CC(C)C)CC2)C1=O ZINC000660170077 431301434 /nfs/dbraw/zinc/30/14/34/431301434.db2.gz DJTODOHWSHTPDG-GOSISDBHSA-N 1 3 323.525 2.687 20 0 DFADHO CCN1CC[C@@H](N2CCC(CC[N@@H+](CC)CC(C)C)CC2)C1=O ZINC000660170077 431301438 /nfs/dbraw/zinc/30/14/38/431301438.db2.gz DJTODOHWSHTPDG-GOSISDBHSA-N 1 3 323.525 2.687 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000656201581 431304429 /nfs/dbraw/zinc/30/44/29/431304429.db2.gz SCGMUHIEGCMZNI-BMGDILEWSA-N 1 3 302.466 2.516 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000653117917 431270054 /nfs/dbraw/zinc/27/00/54/431270054.db2.gz ZHDVZBHLIVDAFU-WBVHZDCISA-N 1 3 317.477 2.622 20 0 DFADHO CCN(CC)C(=O)[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000656127184 431273491 /nfs/dbraw/zinc/27/34/91/431273491.db2.gz SPNFOFUVWMAULN-BPQIPLTHSA-N 1 3 317.477 2.526 20 0 DFADHO CCN(CC)C(=O)[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000656127185 431273671 /nfs/dbraw/zinc/27/36/71/431273671.db2.gz SPNFOFUVWMAULN-JQHSSLGASA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)CNC(=O)CCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000660256001 431345903 /nfs/dbraw/zinc/34/59/03/431345903.db2.gz HNAIASHCISRPFK-IAGOWNOFSA-N 1 3 323.525 2.781 20 0 DFADHO c1cc(N2CCC([NH2+][C@H](C3CC3)[C@@H]3CCCCO3)CC2)ccn1 ZINC000656267886 431346098 /nfs/dbraw/zinc/34/60/98/431346098.db2.gz MESKBXFWFLPZHE-RBUKOAKNSA-N 1 3 315.461 2.988 20 0 DFADHO COc1ccc(CN[C@H]2CC23CC[NH2+]CC3)cc1OC(F)F ZINC000666950968 431419848 /nfs/dbraw/zinc/41/98/48/431419848.db2.gz UQUZQUYKGJEPHO-AWEZNQCLSA-N 1 3 312.360 2.528 20 0 DFADHO CCOc1cc(CN[C@H]2CC23CC[NH2+]CC3)cc(Cl)c1OC ZINC000666950898 431420616 /nfs/dbraw/zinc/42/06/16/431420616.db2.gz PRWOVYBVKJOIJL-HNNXBMFYSA-N 1 3 324.852 2.979 20 0 DFADHO Fc1ccc(Br)c(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952535 431421860 /nfs/dbraw/zinc/42/18/60/431421860.db2.gz ZWJCTKRVENDFLU-ZDUSSCGKSA-N 1 3 313.214 2.820 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)N[C@@H]2CCC[NH2+]CC2)c1C ZINC000666857758 431385947 /nfs/dbraw/zinc/38/59/47/431385947.db2.gz HYPANMJJEHZVKX-GDBMZVCRSA-N 1 3 303.450 2.752 20 0 DFADHO CN(C(=O)CCNCC1(C[NH+](C)C)CCCC1)c1ccccc1 ZINC000663361475 431386317 /nfs/dbraw/zinc/38/63/17/431386317.db2.gz LFALUKGOHSEAEC-UHFFFAOYSA-N 1 3 317.477 2.751 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000666858089 431386708 /nfs/dbraw/zinc/38/67/08/431386708.db2.gz WIUXPWFRUKZVDW-JKSUJKDBSA-N 1 3 303.450 2.752 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+]CCc3cccc(Cl)c3)C2)CC1 ZINC000656499056 431411497 /nfs/dbraw/zinc/41/14/97/431411497.db2.gz GPMLZMWKUZJAQX-QGZVFWFLSA-N 1 3 321.896 2.641 20 0 DFADHO COc1cccc2c1CC[C@@H]([NH2+][C@H]1CCNC3(CCC3)C1)C2 ZINC000666993753 431437595 /nfs/dbraw/zinc/43/75/95/431437595.db2.gz HGPQFLGTPAJTCJ-CVEARBPZSA-N 1 3 300.446 2.817 20 0 DFADHO COc1cccc2c1CC[C@@H](N[C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC000666993753 431437599 /nfs/dbraw/zinc/43/75/99/431437599.db2.gz HGPQFLGTPAJTCJ-CVEARBPZSA-N 1 3 300.446 2.817 20 0 DFADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CCCN(CC4CC4)C3)C[C@H]2C1 ZINC000663463650 431428355 /nfs/dbraw/zinc/42/83/55/431428355.db2.gz AQPBKDOSYUZHBZ-GFEQUFNTSA-N 1 3 306.494 2.902 20 0 DFADHO FCCOCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000663463102 431428547 /nfs/dbraw/zinc/42/85/47/431428547.db2.gz WKYKJFXEPVKJAL-CEXWTWQISA-N 1 3 320.452 2.863 20 0 DFADHO FCCOCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000663463102 431428559 /nfs/dbraw/zinc/42/85/59/431428559.db2.gz WKYKJFXEPVKJAL-CEXWTWQISA-N 1 3 320.452 2.863 20 0 DFADHO FCCOCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000663463102 431428565 /nfs/dbraw/zinc/42/85/65/431428565.db2.gz WKYKJFXEPVKJAL-CEXWTWQISA-N 1 3 320.452 2.863 20 0 DFADHO CC(C)(C)c1n[nH]cc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784019 431520290 /nfs/dbraw/zinc/52/02/90/431520290.db2.gz CEAKDBXWIFXYPA-OAHLLOKOSA-N 1 3 304.482 2.919 20 0 DFADHO CCc1nn(C)c(CC)c1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787140 431523577 /nfs/dbraw/zinc/52/35/77/431523577.db2.gz UYXAFYFBRNHUEH-INIZCTEOSA-N 1 3 318.509 2.757 20 0 DFADHO c1cncc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCO2)c1 ZINC000647244867 431523649 /nfs/dbraw/zinc/52/36/49/431523649.db2.gz JWCWLMJAFCVXDF-XWTMOSNGSA-N 1 3 301.434 2.518 20 0 DFADHO c1cncc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)CCO2)c1 ZINC000647244867 431523654 /nfs/dbraw/zinc/52/36/54/431523654.db2.gz JWCWLMJAFCVXDF-XWTMOSNGSA-N 1 3 301.434 2.518 20 0 DFADHO Cc1nc2ccccn2c1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786429 431523753 /nfs/dbraw/zinc/52/37/53/431523753.db2.gz SMQHGVYVKXNSOT-QGZVFWFLSA-N 1 3 312.461 2.854 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1(N)CCCC1 ZINC000656789603 431526630 /nfs/dbraw/zinc/52/66/30/431526630.db2.gz SBXXTRZSRADXTM-GFCCVEGCSA-N 1 3 309.841 2.918 20 0 DFADHO COc1ccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cn1 ZINC000647249316 431528530 /nfs/dbraw/zinc/52/85/30/431528530.db2.gz RHZAIBSCRKLLFU-MSOLQXFVSA-N 1 3 311.429 2.525 20 0 DFADHO COc1ccc(C2CC[NH+](C[C@H](O)CN(C)C(C)C)CC2)cc1 ZINC000656698727 431484770 /nfs/dbraw/zinc/48/47/70/431484770.db2.gz NWYVYKIRXZIEAH-GOSISDBHSA-N 1 3 320.477 2.576 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661308 431536602 /nfs/dbraw/zinc/53/66/02/431536602.db2.gz CFKZDEFYOGGNJG-BHIYHBOVSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661308 431536604 /nfs/dbraw/zinc/53/66/04/431536604.db2.gz CFKZDEFYOGGNJG-BHIYHBOVSA-N 1 3 302.462 2.569 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C)N1CCCCC1 ZINC000377662075 280146886 /nfs/dbraw/zinc/14/68/86/280146886.db2.gz LVFPJNBWKOZATK-RCCFBDPRSA-N 1 3 321.509 2.582 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C)N1CCCCC1 ZINC000377662075 280146889 /nfs/dbraw/zinc/14/68/89/280146889.db2.gz LVFPJNBWKOZATK-RCCFBDPRSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@]1(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)CC[NH2+]C1 ZINC000262064539 280154665 /nfs/dbraw/zinc/15/46/65/280154665.db2.gz RMCNLROOCBRXPG-FZMZJTMJSA-N 1 3 316.371 2.608 20 0 DFADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OC)cc1 ZINC000282509217 280187907 /nfs/dbraw/zinc/18/79/07/280187907.db2.gz YSNZDYZJJPZYDT-GOSISDBHSA-N 1 3 319.493 2.762 20 0 DFADHO OC(CN(CC1CC1)C1CCC1)C[N@H+](CC1CC1)C1CCC1 ZINC000361589429 280398507 /nfs/dbraw/zinc/39/85/07/280398507.db2.gz VMEFKYIEWZSQLP-UHFFFAOYSA-N 1 3 306.494 2.876 20 0 DFADHO OC(CN(CC1CC1)C1CCC1)C[N@@H+](CC1CC1)C1CCC1 ZINC000361589429 280398509 /nfs/dbraw/zinc/39/85/09/280398509.db2.gz VMEFKYIEWZSQLP-UHFFFAOYSA-N 1 3 306.494 2.876 20 0 DFADHO c1ccc([C@@H]2C[C@H]3[C@H](CCCN3CC3CC[NH2+]CC3)O2)cc1 ZINC000650517679 431600791 /nfs/dbraw/zinc/60/07/91/431600791.db2.gz SUEGVXSATWMDOA-FHWLQOOXSA-N 1 3 300.446 2.981 20 0 DFADHO CCn1cc([C@@H]2OCCC[C@H]2C[NH2+]CCCN(C)C(C)C)cn1 ZINC000657302060 431658885 /nfs/dbraw/zinc/65/88/85/431658885.db2.gz SRFHQPGENLZOEW-FUHWJXTLSA-N 1 3 322.497 2.691 20 0 DFADHO CCn1cc([C@@H]2OCCC[C@H]2CNCCC[N@H+](C)C(C)C)cn1 ZINC000657302060 431658890 /nfs/dbraw/zinc/65/88/90/431658890.db2.gz SRFHQPGENLZOEW-FUHWJXTLSA-N 1 3 322.497 2.691 20 0 DFADHO CCn1cc([C@@H]2OCCC[C@H]2CNCCC[N@@H+](C)C(C)C)cn1 ZINC000657302060 431658896 /nfs/dbraw/zinc/65/88/96/431658896.db2.gz SRFHQPGENLZOEW-FUHWJXTLSA-N 1 3 322.497 2.691 20 0 DFADHO Cc1ccc(-c2nn(C)cc2CN2CCC([C@@H](C)[NH3+])CC2)o1 ZINC000647491843 431607519 /nfs/dbraw/zinc/60/75/19/431607519.db2.gz SLCJRNUOEYURTC-CYBMUJFWSA-N 1 3 302.422 2.548 20 0 DFADHO Cc1ccc(-c2nn(C)cc2CN2CCC([C@H](C)[NH3+])CC2)o1 ZINC000647491844 431607589 /nfs/dbraw/zinc/60/75/89/431607589.db2.gz SLCJRNUOEYURTC-ZDUSSCGKSA-N 1 3 302.422 2.548 20 0 DFADHO C(c1nc2c(s1)CCC2)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542753 431621175 /nfs/dbraw/zinc/62/11/75/431621175.db2.gz BKZNNZLHYLIWPV-KBPBESRZSA-N 1 3 305.491 2.843 20 0 DFADHO COc1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000647544273 431623939 /nfs/dbraw/zinc/62/39/39/431623939.db2.gz YWOOGFMGRBLVND-IRXDYDNUSA-N 1 3 318.461 2.915 20 0 DFADHO COc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC000647543431 431625151 /nfs/dbraw/zinc/62/51/51/431625151.db2.gz NHBPVISWIHUEEV-HZPDHXFCSA-N 1 3 318.461 2.915 20 0 DFADHO COc1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000647544270 431625515 /nfs/dbraw/zinc/62/55/15/431625515.db2.gz YWOOGFMGRBLVND-DLBZAZTESA-N 1 3 318.461 2.915 20 0 DFADHO c1cc2c(cc1CN1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000647543497 431625630 /nfs/dbraw/zinc/62/56/30/431625630.db2.gz OKLIQTOAZYFURT-DLBZAZTESA-N 1 3 316.445 2.669 20 0 DFADHO CCN1CCN(c2ccc(N[C@@H]3C[NH2+]C[C@@H](C)C3)c(C)c2)CC1 ZINC000647547761 431627637 /nfs/dbraw/zinc/62/76/37/431627637.db2.gz CFRQWYCPQJCEIB-RDJZCZTQSA-N 1 3 316.493 2.547 20 0 DFADHO CC(C)n1ccc(C[C@H](C)NCc2ccc(C[NH3+])cc2F)n1 ZINC000650717754 431661329 /nfs/dbraw/zinc/66/13/29/431661329.db2.gz LMUKOPULXJNEHE-ZDUSSCGKSA-N 1 3 304.413 2.783 20 0 DFADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657286454 431647955 /nfs/dbraw/zinc/64/79/55/431647955.db2.gz XFCITJORZCRQDP-KRWDZBQOSA-N 1 3 306.450 2.532 20 0 DFADHO Cc1ccc(-c2nn(C)cc2CN2CCC(CC[NH3+])CC2)o1 ZINC000650722666 431664228 /nfs/dbraw/zinc/66/42/28/431664228.db2.gz YXGPBWHHTZVHPX-UHFFFAOYSA-N 1 3 302.422 2.549 20 0 DFADHO Cc1nc(C)c(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723232 431665159 /nfs/dbraw/zinc/66/51/59/431665159.db2.gz JXZLKMAQSRVQLS-KFWWJZLASA-N 1 3 309.479 2.621 20 0 DFADHO C[C@H](CNCc1ccnn1-c1ccncc1)[N@@H+]1CCCC[C@@H]1C ZINC000657308958 431665583 /nfs/dbraw/zinc/66/55/83/431665583.db2.gz ZYJZCQPWFXTBPV-JKSUJKDBSA-N 1 3 313.449 2.620 20 0 DFADHO C[C@H](CNCc1ccnn1-c1ccncc1)[N@H+]1CCCC[C@@H]1C ZINC000657308958 431665587 /nfs/dbraw/zinc/66/55/87/431665587.db2.gz ZYJZCQPWFXTBPV-JKSUJKDBSA-N 1 3 313.449 2.620 20 0 DFADHO C[C@H](C[NH2+]Cc1ccnn1-c1ccncc1)N1CCCC[C@@H]1C ZINC000657308958 431665592 /nfs/dbraw/zinc/66/55/92/431665592.db2.gz ZYJZCQPWFXTBPV-JKSUJKDBSA-N 1 3 313.449 2.620 20 0 DFADHO CCOc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722193 431666524 /nfs/dbraw/zinc/66/65/24/431666524.db2.gz MYHYZXSPCDOUNL-UHOSZYNNSA-N 1 3 318.461 2.946 20 0 DFADHO Cc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1F ZINC000650722812 431666710 /nfs/dbraw/zinc/66/67/10/431666710.db2.gz BSNNXWFBGPXBSL-NXHRZFHOSA-N 1 3 306.425 2.995 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cnc3n2CCC3)C1 ZINC000657313866 431670006 /nfs/dbraw/zinc/67/00/06/431670006.db2.gz WLQQJASKBBZSGL-HZPDHXFCSA-N 1 3 304.482 2.677 20 0 DFADHO COCC[NH+]1CCC(NCc2cc3ccc(C)cc3[nH]2)CC1 ZINC000657331164 431679463 /nfs/dbraw/zinc/67/94/63/431679463.db2.gz QNAGBVKXACJLFO-UHFFFAOYSA-N 1 3 301.434 2.677 20 0 DFADHO C[C@H](COCC1CC1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000650760825 431681895 /nfs/dbraw/zinc/68/18/95/431681895.db2.gz NBXAFXZIWLUUNT-LJHODMEESA-N 1 3 316.445 2.647 20 0 DFADHO C[C@H](COCC1CC1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000650760824 431682569 /nfs/dbraw/zinc/68/25/69/431682569.db2.gz NBXAFXZIWLUUNT-DKSSEZFCSA-N 1 3 316.445 2.647 20 0 DFADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657337370 431684292 /nfs/dbraw/zinc/68/42/92/431684292.db2.gz SFIULJGGZPJSAC-HKUYNNGSSA-N 1 3 318.461 2.676 20 0 DFADHO Cc1ncc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)n1C ZINC000657337759 431685432 /nfs/dbraw/zinc/68/54/32/431685432.db2.gz AJOXKYSLLYJPTJ-OAHLLOKOSA-N 1 3 318.490 2.792 20 0 DFADHO Cc1ncc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)n1C ZINC000657337759 431685438 /nfs/dbraw/zinc/68/54/38/431685438.db2.gz AJOXKYSLLYJPTJ-OAHLLOKOSA-N 1 3 318.490 2.792 20 0 DFADHO Cc1ncc(C[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)n1C ZINC000657337759 431685447 /nfs/dbraw/zinc/68/54/47/431685447.db2.gz AJOXKYSLLYJPTJ-OAHLLOKOSA-N 1 3 318.490 2.792 20 0 DFADHO c1cn(CCc2ccccc2)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647788711 431687835 /nfs/dbraw/zinc/68/78/35/431687835.db2.gz PDHARZNCYMYXAT-GBESFXJTSA-N 1 3 324.472 2.604 20 0 DFADHO COc1c2ccccc2oc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647795890 431689141 /nfs/dbraw/zinc/68/91/41/431689141.db2.gz YWCWJYQTEAQNQY-HZSPNIEDSA-N 1 3 300.402 2.919 20 0 DFADHO Cn1c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nc2cccc(Cl)c21 ZINC000647795389 431689777 /nfs/dbraw/zinc/68/97/77/431689777.db2.gz PLZBJVWSNJQSOX-YNEHKIRRSA-N 1 3 318.852 2.704 20 0 DFADHO CC(C)COC[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccco1 ZINC000647793210 431690084 /nfs/dbraw/zinc/69/00/84/431690084.db2.gz PNJIGLKHVLEDKP-TWMKSMIVSA-N 1 3 306.450 2.971 20 0 DFADHO c1ccc([C@H]2C[C@@H]2CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000647801171 431694628 /nfs/dbraw/zinc/69/46/28/431694628.db2.gz QESGSDPEBKQQPJ-UJWQCDCRSA-N 1 3 300.446 2.537 20 0 DFADHO CC[C@H]1C[C@H](NCc2ccc(OCCC[NH+](C)C)cc2)CO1 ZINC000657352670 431695107 /nfs/dbraw/zinc/69/51/07/431695107.db2.gz KNNJGDXSAUPDKJ-IRXDYDNUSA-N 1 3 306.450 2.674 20 0 DFADHO CN(C)CCN1CCC([NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657306133 431662557 /nfs/dbraw/zinc/66/25/57/431662557.db2.gz RIXSYMMPZARRCX-UHFFFAOYSA-N 1 3 307.526 2.961 20 0 DFADHO CC1CC[NH+](C2CCC(NCc3cnn4c3CCC4)CC2)CC1 ZINC000657414763 431735923 /nfs/dbraw/zinc/73/59/23/431735923.db2.gz BKKBJWJXXASIIE-UHFFFAOYSA-N 1 3 316.493 2.962 20 0 DFADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966570 431753633 /nfs/dbraw/zinc/75/36/33/431753633.db2.gz ZJKBHSOPIRPCLN-SJORKVTESA-N 1 3 323.525 2.545 20 0 DFADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966570 431753638 /nfs/dbraw/zinc/75/36/38/431753638.db2.gz ZJKBHSOPIRPCLN-SJORKVTESA-N 1 3 323.525 2.545 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966570 431753643 /nfs/dbraw/zinc/75/36/43/431753643.db2.gz ZJKBHSOPIRPCLN-SJORKVTESA-N 1 3 323.525 2.545 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966570 431753650 /nfs/dbraw/zinc/75/36/50/431753650.db2.gz ZJKBHSOPIRPCLN-SJORKVTESA-N 1 3 323.525 2.545 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@H](C)N(C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000647964463 431755152 /nfs/dbraw/zinc/75/51/52/431755152.db2.gz LNFBKQVMPVYPAY-KSZLIROESA-N 1 3 304.478 2.874 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@H](C)N(C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000647964463 431755156 /nfs/dbraw/zinc/75/51/56/431755156.db2.gz LNFBKQVMPVYPAY-KSZLIROESA-N 1 3 304.478 2.874 20 0 DFADHO COc1cccc2c(NCC[N@H+](C)CCCN(C)C)ccnc12 ZINC000664247759 431716476 /nfs/dbraw/zinc/71/64/76/431716476.db2.gz GSFXTDXXSHDRCO-UHFFFAOYSA-N 1 3 316.449 2.539 20 0 DFADHO COc1cccc2c(NCC[N@@H+](C)CCCN(C)C)ccnc12 ZINC000664247759 431716485 /nfs/dbraw/zinc/71/64/85/431716485.db2.gz GSFXTDXXSHDRCO-UHFFFAOYSA-N 1 3 316.449 2.539 20 0 DFADHO Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000657522268 431794426 /nfs/dbraw/zinc/79/44/26/431794426.db2.gz AFSQNHHNRAFOGQ-QGZVFWFLSA-N 1 3 313.449 2.538 20 0 DFADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CS1 ZINC000657598013 431820091 /nfs/dbraw/zinc/82/00/91/431820091.db2.gz WYSAXGJHFAYVSS-FHLIZLRMSA-N 1 3 320.502 2.627 20 0 DFADHO CC1CCC([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000657593687 431821803 /nfs/dbraw/zinc/82/18/03/431821803.db2.gz BJFNZFFZURUGHN-PPSBMQLTSA-N 1 3 302.462 2.922 20 0 DFADHO CC(C)([NH3+])CCC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000648128652 431823310 /nfs/dbraw/zinc/82/33/10/431823310.db2.gz GNMLHDDHGWAXGS-UHFFFAOYSA-N 1 3 303.328 2.620 20 0 DFADHO c1cc(CN2CCC(C[NH2+]C[C@H]3CCSC3)CC2)ccn1 ZINC000657613925 431824474 /nfs/dbraw/zinc/82/44/74/431824474.db2.gz XAZNEJBLCVCDPQ-QGZVFWFLSA-N 1 3 305.491 2.636 20 0 DFADHO Cc1ccc2c(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc(=O)oc2c1 ZINC000261910892 281046814 /nfs/dbraw/zinc/04/68/14/281046814.db2.gz QFLJIFQMOPOSLP-RRQGHBQHSA-N 1 3 312.413 2.661 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C3CCN(C)CC3)C1)CC2 ZINC000370634079 281123256 /nfs/dbraw/zinc/12/32/56/281123256.db2.gz JRNBGWOSVKQNFU-YLJYHZDGSA-N 1 3 313.489 2.740 20 0 DFADHO Cc1ccccc1CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000362641113 281342238 /nfs/dbraw/zinc/34/22/38/281342238.db2.gz OLBOFYNWEJAJSD-QGZVFWFLSA-N 1 3 301.478 2.595 20 0 DFADHO Cc1ccccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000362641113 281342239 /nfs/dbraw/zinc/34/22/39/281342239.db2.gz OLBOFYNWEJAJSD-QGZVFWFLSA-N 1 3 301.478 2.595 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000274805357 282026274 /nfs/dbraw/zinc/02/62/74/282026274.db2.gz UCEJVTKBWKIALE-BFYDXBDKSA-N 1 3 319.493 2.961 20 0 DFADHO C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N1CCCCCC1 ZINC000357812964 289348854 /nfs/dbraw/zinc/34/88/54/289348854.db2.gz VEBSDJSVIWGFGW-DLBZAZTESA-N 1 3 323.525 2.878 20 0 DFADHO C[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N1CCCCCC1 ZINC000357812964 289348859 /nfs/dbraw/zinc/34/88/59/289348859.db2.gz VEBSDJSVIWGFGW-DLBZAZTESA-N 1 3 323.525 2.878 20 0 DFADHO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000370633507 289724832 /nfs/dbraw/zinc/72/48/32/289724832.db2.gz HHUBBTRWZMMKBF-HUUCEWRRSA-N 1 3 313.555 2.665 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292367133 290049664 /nfs/dbraw/zinc/04/96/64/290049664.db2.gz YZINGKAUQPOXHP-WBAXXEDZSA-N 1 3 317.477 2.912 20 0 DFADHO CC[NH+](CC)CCOC1CCN(C/C=C/c2ccncc2)CC1 ZINC000494938417 299891149 /nfs/dbraw/zinc/89/11/49/299891149.db2.gz OKWFJYULBZFPPM-AATRIKPKSA-N 1 3 317.477 2.918 20 0 DFADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)c1 ZINC000154362375 295298666 /nfs/dbraw/zinc/29/86/66/295298666.db2.gz YZOZBWRIQXLHTB-GOSISDBHSA-N 1 3 303.494 2.982 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCCN1CCN(C)CC1)CC2 ZINC000154409972 295299458 /nfs/dbraw/zinc/29/94/58/295299458.db2.gz PHPXTKNDPCLYFO-IBGZPJMESA-N 1 3 301.478 2.600 20 0 DFADHO CC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)cc1 ZINC000154422845 295300095 /nfs/dbraw/zinc/30/00/95/295300095.db2.gz ABQHPENJVDSNPO-SFHVURJKSA-N 1 3 307.457 2.894 20 0 DFADHO CCOc1ccccc1[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154424799 295300182 /nfs/dbraw/zinc/30/01/82/295300182.db2.gz PNTAVKDGXYGYDS-QGZVFWFLSA-N 1 3 319.493 2.764 20 0 DFADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000158167621 295359133 /nfs/dbraw/zinc/35/91/33/295359133.db2.gz ATFCVZGTJKZFTK-CABCVRRESA-N 1 3 317.433 2.636 20 0 DFADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000158167621 295359134 /nfs/dbraw/zinc/35/91/34/295359134.db2.gz ATFCVZGTJKZFTK-CABCVRRESA-N 1 3 317.433 2.636 20 0 DFADHO Cc1noc(C2CCC([NH2+][C@@H]3CCC[C@@H](N(C)C)C3)CC2)n1 ZINC000368032020 295455528 /nfs/dbraw/zinc/45/55/28/295455528.db2.gz WGZZFONZVSZIBF-QDIHITRGSA-N 1 3 306.454 2.867 20 0 DFADHO CC1CC[NH+](Cc2ccc(NC(=O)[C@@]3(F)CCNC3)cc2)CC1 ZINC000370767712 295463216 /nfs/dbraw/zinc/46/32/16/295463216.db2.gz VUPQTXICGOZGLL-GOSISDBHSA-N 1 3 319.424 2.559 20 0 DFADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC(C)CC1 ZINC000438558082 297098696 /nfs/dbraw/zinc/09/86/96/297098696.db2.gz ZYALEAJCTZIWJX-WMZOPIPTSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)N1CCC(C)CC1 ZINC000438558082 297098697 /nfs/dbraw/zinc/09/86/97/297098697.db2.gz ZYALEAJCTZIWJX-WMZOPIPTSA-N 1 3 321.509 2.630 20 0 DFADHO CC[C@H]1CCCCN1CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438569945 297099391 /nfs/dbraw/zinc/09/93/91/297099391.db2.gz UZGNSSXLOALYIR-FUHWJXTLSA-N 1 3 321.509 2.774 20 0 DFADHO CC[C@H]1CCCCN1CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438569945 297099394 /nfs/dbraw/zinc/09/93/94/297099394.db2.gz UZGNSSXLOALYIR-FUHWJXTLSA-N 1 3 321.509 2.774 20 0 DFADHO CCC[NH+]1CCC(CNCc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440821671 297166290 /nfs/dbraw/zinc/16/62/90/297166290.db2.gz BCBIKWNIFCHBKS-UHFFFAOYSA-N 1 3 304.360 2.640 20 0 DFADHO C[C@@H](CCc1ccccc1F)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442868532 297208780 /nfs/dbraw/zinc/20/87/80/297208780.db2.gz CMXYXCBCNMIWPW-INIZCTEOSA-N 1 3 321.484 2.762 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1(C)C ZINC000442875999 297209207 /nfs/dbraw/zinc/20/92/07/297209207.db2.gz QFIYVJMTTNHLSB-MRXNPFEDSA-N 1 3 319.493 2.909 20 0 DFADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442887947 297209789 /nfs/dbraw/zinc/20/97/89/297209789.db2.gz CFPSREDOGRWDSV-KDOFPFPSSA-N 1 3 319.468 2.675 20 0 DFADHO CCOc1c(CN2CCC[C@H](CC[NH3+])C2)c(C)nn1CC(C)C ZINC000442917064 297211254 /nfs/dbraw/zinc/21/12/54/297211254.db2.gz BVHHKRJOCIODHS-MRXNPFEDSA-N 1 3 322.497 2.807 20 0 DFADHO CSc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443057648 297214107 /nfs/dbraw/zinc/21/41/07/297214107.db2.gz HNWRXCXWDZDKHT-KGLIPLIRSA-N 1 3 321.490 2.796 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000443086848 297215686 /nfs/dbraw/zinc/21/56/86/297215686.db2.gz HRGILBRZYVPQPI-KSSFIOAISA-N 1 3 321.896 2.628 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000443086848 297215688 /nfs/dbraw/zinc/21/56/88/297215688.db2.gz HRGILBRZYVPQPI-KSSFIOAISA-N 1 3 321.896 2.628 20 0 DFADHO CCCc1cc(NCCN2CCCOCC2)c2ccccc2[nH+]1 ZINC000445672906 297264852 /nfs/dbraw/zinc/26/48/52/297264852.db2.gz CQODELIEZJAFKG-UHFFFAOYSA-N 1 3 313.445 2.743 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)c2ccsc2S1 ZINC000361877275 297283495 /nfs/dbraw/zinc/28/34/95/297283495.db2.gz LPCJADMPBVQNCW-DGCLKSJQSA-N 1 3 312.504 2.720 20 0 DFADHO CCN(CC)c1ncc(CNCC2CC[NH+](C3CC3)CC2)s1 ZINC000446887542 297289656 /nfs/dbraw/zinc/28/96/56/297289656.db2.gz VMOUWELCLQJUDW-UHFFFAOYSA-N 1 3 322.522 2.953 20 0 DFADHO Cc1ccc(NC(=O)CCN(C)C2CC[NH+](C(C)C)CC2)nc1 ZINC000447344831 297301708 /nfs/dbraw/zinc/30/17/08/297301708.db2.gz DSCACUWQEBSORZ-UHFFFAOYSA-N 1 3 318.465 2.523 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1)C1CC1 ZINC000447506627 297305542 /nfs/dbraw/zinc/30/55/42/297305542.db2.gz DHGUVYKZAYXGLV-WMLDXEAASA-N 1 3 315.461 2.541 20 0 DFADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CCCC2)c2ccccc21 ZINC000447529893 297307007 /nfs/dbraw/zinc/30/70/07/297307007.db2.gz LKONAVSPYANCIM-AYOQOUSVSA-N 1 3 302.462 2.917 20 0 DFADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCOCCN(C)C ZINC000447594095 297310024 /nfs/dbraw/zinc/31/00/24/297310024.db2.gz WWTQRXYVPHKUJW-KGLIPLIRSA-N 1 3 321.490 2.956 20 0 DFADHO CN(C)CC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449063528 297398834 /nfs/dbraw/zinc/39/88/34/297398834.db2.gz QBANBOCIZGSKIN-UHFFFAOYSA-N 1 3 318.440 2.904 20 0 DFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCN(C)C)CC1 ZINC000449062450 297399161 /nfs/dbraw/zinc/39/91/61/297399161.db2.gz JPCUROFFKOGWMH-KRWDZBQOSA-N 1 3 303.494 2.623 20 0 DFADHO Cc1cccc(CC[NH2+]C2CCN(C3CCN(C)CC3)CC2)c1 ZINC000449108412 297406901 /nfs/dbraw/zinc/40/69/01/297406901.db2.gz QLKHDJYFLWQUTA-UHFFFAOYSA-N 1 3 315.505 2.686 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)Cc1cnccn1 ZINC000453142365 298066699 /nfs/dbraw/zinc/06/66/99/298066699.db2.gz ZERFHFWQNRJLJB-BQFCYCMXSA-N 1 3 304.482 2.898 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453179642 298069118 /nfs/dbraw/zinc/06/91/18/298069118.db2.gz UYYOJGIXIOTDQQ-YRXWBPOGSA-N 1 3 300.446 2.808 20 0 DFADHO c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453179642 298069120 /nfs/dbraw/zinc/06/91/20/298069120.db2.gz UYYOJGIXIOTDQQ-YRXWBPOGSA-N 1 3 300.446 2.808 20 0 DFADHO C[C@H](Cc1cnccn1)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000453198194 298070621 /nfs/dbraw/zinc/07/06/21/298070621.db2.gz OUTRZNVOWXXHAO-BZUAXINKSA-N 1 3 302.466 2.650 20 0 DFADHO C[C@H](Cc1cnccn1)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453198194 298070624 /nfs/dbraw/zinc/07/06/24/298070624.db2.gz OUTRZNVOWXXHAO-BZUAXINKSA-N 1 3 302.466 2.650 20 0 DFADHO C[C@H](Cc1cnccn1)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000453198194 298070626 /nfs/dbraw/zinc/07/06/26/298070626.db2.gz OUTRZNVOWXXHAO-BZUAXINKSA-N 1 3 302.466 2.650 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000453260198 298077638 /nfs/dbraw/zinc/07/76/38/298077638.db2.gz CSYKJZATJNSNNU-IAQYHMDHSA-N 1 3 300.805 2.788 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000453260198 298077641 /nfs/dbraw/zinc/07/76/41/298077641.db2.gz CSYKJZATJNSNNU-IAQYHMDHSA-N 1 3 300.805 2.788 20 0 DFADHO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453332668 298083830 /nfs/dbraw/zinc/08/38/30/298083830.db2.gz VKCPXGXKVQMKSD-ZTFGCOKTSA-N 1 3 306.450 2.845 20 0 DFADHO CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000453378397 298088005 /nfs/dbraw/zinc/08/80/05/298088005.db2.gz QMKIODYDOPVAGJ-WBAXXEDZSA-N 1 3 308.466 2.827 20 0 DFADHO CC[C@@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)[C@@H](O)CC ZINC000453378393 298088335 /nfs/dbraw/zinc/08/83/35/298088335.db2.gz QMKIODYDOPVAGJ-OLMNPRSZSA-N 1 3 308.466 2.827 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1C ZINC000453469200 298097609 /nfs/dbraw/zinc/09/76/09/298097609.db2.gz ZXSZLKQVMMIHAN-UKBAYJJMSA-N 1 3 304.478 2.525 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1C ZINC000453469200 298097611 /nfs/dbraw/zinc/09/76/11/298097611.db2.gz ZXSZLKQVMMIHAN-UKBAYJJMSA-N 1 3 304.478 2.525 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1C ZINC000453469198 298097648 /nfs/dbraw/zinc/09/76/48/298097648.db2.gz ZXSZLKQVMMIHAN-QFHJOOASSA-N 1 3 304.478 2.525 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1C ZINC000453469198 298097651 /nfs/dbraw/zinc/09/76/51/298097651.db2.gz ZXSZLKQVMMIHAN-QFHJOOASSA-N 1 3 304.478 2.525 20 0 DFADHO O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000453625932 298106775 /nfs/dbraw/zinc/10/67/75/298106775.db2.gz FPXBIJQOPIUBCJ-WAPOTWQKSA-N 1 3 314.473 2.648 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCOC2=O)c1 ZINC000496284985 300041038 /nfs/dbraw/zinc/04/10/38/300041038.db2.gz QDTJAOADEAKHND-NWANDNLSSA-N 1 3 303.406 2.564 20 0 DFADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cccc(N2CCOC2=O)c1 ZINC000496972112 300140597 /nfs/dbraw/zinc/14/05/97/300140597.db2.gz BFSXHUBLADMNDM-JLJPHGGASA-N 1 3 317.433 2.811 20 0 DFADHO CN1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000514614770 300262943 /nfs/dbraw/zinc/26/29/43/300262943.db2.gz JULHCAFRHFQNAS-UWWPHRKUSA-N 1 3 309.404 2.570 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000515054808 300287536 /nfs/dbraw/zinc/28/75/36/300287536.db2.gz NXZGEJUYVSZVNP-QGZVFWFLSA-N 1 3 308.441 2.582 20 0 DFADHO [NH3+][C@H](CCC(=O)N1CC[C@H](N2CCCC2)C1)CC1CCCCC1 ZINC000515057243 300287823 /nfs/dbraw/zinc/28/78/23/300287823.db2.gz WOEFIRUGHSXBJY-MSOLQXFVSA-N 1 3 321.509 2.761 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000515233904 300297050 /nfs/dbraw/zinc/29/70/50/300297050.db2.gz BENOTVMTVGMXCY-INIZCTEOSA-N 1 3 301.434 2.569 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000515311553 300300513 /nfs/dbraw/zinc/30/05/13/300300513.db2.gz NMDAMPPGSVJKND-SJLPKXTDSA-N 1 3 305.441 2.650 20 0 DFADHO C[C@@H](Cc1ccsc1)NCc1cc(C2CC[NH2+]CC2)no1 ZINC000515414911 300305781 /nfs/dbraw/zinc/30/57/81/300305781.db2.gz XHZXJXPHEAQNOX-LBPRGKRZSA-N 1 3 305.447 2.924 20 0 DFADHO C[C@H](NCCc1cccc2c1OC(F)(F)O2)[C@@H]1CCC[NH2+]C1 ZINC000530215273 301029770 /nfs/dbraw/zinc/02/97/70/301029770.db2.gz GGRAPGGTKLLZLN-WCQYABFASA-N 1 3 312.360 2.528 20 0 DFADHO C[C@H]([NH2+]CCc1cccc2c1OC(F)(F)O2)[C@@H]1CCCNC1 ZINC000530215273 301029772 /nfs/dbraw/zinc/02/97/72/301029772.db2.gz GGRAPGGTKLLZLN-WCQYABFASA-N 1 3 312.360 2.528 20 0 DFADHO CCN(C[C@H](Cc1ccc(F)cc1)OC)[C@@H]1CCC[NH2+]CC1 ZINC000530219445 301030851 /nfs/dbraw/zinc/03/08/51/301030851.db2.gz PPILBSZHYLSLSV-MSOLQXFVSA-N 1 3 308.441 2.847 20 0 DFADHO CCOc1ccccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247644 301033616 /nfs/dbraw/zinc/03/36/16/301033616.db2.gz BLICSSOVDNTOOZ-GOSISDBHSA-N 1 3 318.461 2.676 20 0 DFADHO C(=C/c1ccccc1)\CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249311 301034263 /nfs/dbraw/zinc/03/42/63/301034263.db2.gz VAHNYLFITLJXBG-ZLHKHBAESA-N 1 3 300.446 2.790 20 0 DFADHO CC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000531708173 301105249 /nfs/dbraw/zinc/10/52/49/301105249.db2.gz GBGNVRASSGDAIJ-MJGOQNOKSA-N 1 3 316.493 2.762 20 0 DFADHO CCC[NH+](CCC)CCCNC1CCN(c2cnccn2)CC1 ZINC000531965510 301121735 /nfs/dbraw/zinc/12/17/35/301121735.db2.gz DRPNIJSBSCHIHG-UHFFFAOYSA-N 1 3 319.497 2.547 20 0 DFADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(N2CCOCC2)c1 ZINC000532506871 301157084 /nfs/dbraw/zinc/15/70/84/301157084.db2.gz XPILRHKBRGNMRD-DLBZAZTESA-N 1 3 317.477 2.516 20 0 DFADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOCC2)c1 ZINC000532506871 301157086 /nfs/dbraw/zinc/15/70/86/301157086.db2.gz XPILRHKBRGNMRD-DLBZAZTESA-N 1 3 317.477 2.516 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000532550475 301159696 /nfs/dbraw/zinc/15/96/96/301159696.db2.gz MQXBVHJROFLQRP-KBRIMQKVSA-N 1 3 309.885 2.873 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000532550475 301159699 /nfs/dbraw/zinc/15/96/99/301159699.db2.gz MQXBVHJROFLQRP-KBRIMQKVSA-N 1 3 309.885 2.873 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000532550475 301159702 /nfs/dbraw/zinc/15/97/02/301159702.db2.gz MQXBVHJROFLQRP-KBRIMQKVSA-N 1 3 309.885 2.873 20 0 DFADHO CC(C)(C)N1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000533376523 301198467 /nfs/dbraw/zinc/19/84/67/301198467.db2.gz XGLMZDGJFWUSPI-QGZVFWFLSA-N 1 3 321.509 2.726 20 0 DFADHO CC(C)(C)N1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000533376523 301198469 /nfs/dbraw/zinc/19/84/69/301198469.db2.gz XGLMZDGJFWUSPI-QGZVFWFLSA-N 1 3 321.509 2.726 20 0 DFADHO C[C@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cscn1 ZINC000535065392 301246863 /nfs/dbraw/zinc/24/68/63/301246863.db2.gz PJPRSESUSYWHMR-HNNXBMFYSA-N 1 3 322.522 2.744 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(Cc2cccc3nccn32)CC1 ZINC000539409110 301341736 /nfs/dbraw/zinc/34/17/36/301341736.db2.gz JIHAIGRXGRUDHB-UHFFFAOYSA-N 1 3 300.450 2.887 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(Cc2cccc3nccn32)CC1 ZINC000539409110 301341737 /nfs/dbraw/zinc/34/17/37/301341737.db2.gz JIHAIGRXGRUDHB-UHFFFAOYSA-N 1 3 300.450 2.887 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2=CCN(C)CC2)c1 ZINC000540604999 301366107 /nfs/dbraw/zinc/36/61/07/301366107.db2.gz CJQJCQCEAQEUMC-HNNXBMFYSA-N 1 3 301.434 2.564 20 0 DFADHO CC[N@@H+]1CC[C@@H](Nc2cccc(OCCN(C)C)c2)[C@H](C)C1 ZINC000540839557 301370633 /nfs/dbraw/zinc/37/06/33/301370633.db2.gz WEIWJICMRSHRMX-CRAIPNDOSA-N 1 3 305.466 2.769 20 0 DFADHO CC[N@H+]1CC[C@@H](Nc2cccc(OCCN(C)C)c2)[C@H](C)C1 ZINC000540839557 301370635 /nfs/dbraw/zinc/37/06/35/301370635.db2.gz WEIWJICMRSHRMX-CRAIPNDOSA-N 1 3 305.466 2.769 20 0 DFADHO CC(C)[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CC1 ZINC000540988414 301380053 /nfs/dbraw/zinc/38/00/53/301380053.db2.gz LFIBUVNANQZTAP-OALUTQOASA-N 1 3 302.462 2.777 20 0 DFADHO CCc1ccc([C@@H](CNC(=O)CCCC[NH+](C)C)N(C)C)cc1 ZINC000552118709 301681600 /nfs/dbraw/zinc/68/16/00/301681600.db2.gz SKKOOUATVRFZDB-GOSISDBHSA-N 1 3 319.493 2.700 20 0 DFADHO CCN(CC)[C@H](CNC(=O)CC[NH2+]C(C)C)c1ccsc1 ZINC000553952652 301723390 /nfs/dbraw/zinc/72/33/90/301723390.db2.gz MZSGSIOLDUZQEC-OAHLLOKOSA-N 1 3 311.495 2.635 20 0 DFADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H]2CCCC(C)(C)C2)CC1 ZINC000556843120 301815437 /nfs/dbraw/zinc/81/54/37/301815437.db2.gz HQZAICLJVHNWIT-INIZCTEOSA-N 1 3 323.525 2.593 20 0 DFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000561060905 301920831 /nfs/dbraw/zinc/92/08/31/301920831.db2.gz SOTZYVAWLZUGSQ-ZIAGYGMSSA-N 1 3 316.449 2.674 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000562958974 302018320 /nfs/dbraw/zinc/01/83/20/302018320.db2.gz ZSFIWHHIEYJBBY-XWSJACJDSA-N 1 3 323.525 2.530 20 0 DFADHO CC[NH+]1CCC(CN[C@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000563829179 302101672 /nfs/dbraw/zinc/10/16/72/302101672.db2.gz YQZZWTABDCNIHZ-QGZVFWFLSA-N 1 3 312.404 2.974 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000564649641 302146988 /nfs/dbraw/zinc/14/69/88/302146988.db2.gz HVGJEGHEAZWQIB-ZMSDIMECSA-N 1 3 303.450 2.819 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000564649641 302146991 /nfs/dbraw/zinc/14/69/91/302146991.db2.gz HVGJEGHEAZWQIB-ZMSDIMECSA-N 1 3 303.450 2.819 20 0 DFADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000564714026 302152690 /nfs/dbraw/zinc/15/26/90/302152690.db2.gz RRXRVYBJXYNWJB-LZLYRXPVSA-N 1 3 316.493 2.585 20 0 DFADHO CC(C)C[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC000564847816 302163518 /nfs/dbraw/zinc/16/35/18/302163518.db2.gz BXOHLHVRVWSYJT-HNNXBMFYSA-N 1 3 321.440 2.722 20 0 DFADHO CC(C)C[N@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC000564847816 302163522 /nfs/dbraw/zinc/16/35/22/302163522.db2.gz BXOHLHVRVWSYJT-HNNXBMFYSA-N 1 3 321.440 2.722 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@](C)(CCc2ccccc2)C1 ZINC000565155534 302198796 /nfs/dbraw/zinc/19/87/96/302198796.db2.gz GHJWTQMSFBNBAY-RBUKOAKNSA-N 1 3 304.478 2.644 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@](C)(CCc2ccccc2)C1 ZINC000565155534 302198799 /nfs/dbraw/zinc/19/87/99/302198799.db2.gz GHJWTQMSFBNBAY-RBUKOAKNSA-N 1 3 304.478 2.644 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]C2CC(N(C)C)C2)CCN1Cc1ccccc1 ZINC000565218804 302208786 /nfs/dbraw/zinc/20/87/86/302208786.db2.gz PCKPQNRBTDVMCO-FLODPWGTSA-N 1 3 301.478 2.722 20 0 DFADHO COc1ccc([C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000565225296 302209789 /nfs/dbraw/zinc/20/97/89/302209789.db2.gz CGPZHGHBGNUYID-AOIWGVFYSA-N 1 3 317.477 2.692 20 0 DFADHO c1cc2c(cc1C[NH2+][C@@H]1CCCC13CCOCC3)CNCC2 ZINC000565838848 302244194 /nfs/dbraw/zinc/24/41/94/302244194.db2.gz UFRQBSBWPFBAPD-GOSISDBHSA-N 1 3 300.446 2.771 20 0 DFADHO Cc1cc(C)n(-c2ccccc2CN[C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000566056386 302256098 /nfs/dbraw/zinc/25/60/98/302256098.db2.gz XYNFBWZNALXXSI-SJORKVTESA-N 1 3 312.461 2.967 20 0 DFADHO N[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000566089237 302258679 /nfs/dbraw/zinc/25/86/79/302258679.db2.gz JDKWKPQNLBPMQL-PMACEKPBSA-N 1 3 322.456 2.780 20 0 DFADHO [NH3+][C@H]1C[C@H](NC2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000566089237 302258683 /nfs/dbraw/zinc/25/86/83/302258683.db2.gz JDKWKPQNLBPMQL-PMACEKPBSA-N 1 3 322.456 2.780 20 0 DFADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000567063073 302332911 /nfs/dbraw/zinc/33/29/11/302332911.db2.gz NXVWFTXRGDKJJV-HNNXBMFYSA-N 1 3 318.465 2.648 20 0 DFADHO C[C@@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)N1CCCC1 ZINC000567164806 302340912 /nfs/dbraw/zinc/34/09/12/302340912.db2.gz XLYIKSOGZVOGHU-DOTOQJQBSA-N 1 3 309.498 2.665 20 0 DFADHO CSc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)CN1CCCC1)CCC2 ZINC000567269540 302346636 /nfs/dbraw/zinc/34/66/36/302346636.db2.gz KOSWDBPWTSHMTL-MAUKXSAKSA-N 1 3 320.502 2.832 20 0 DFADHO CC(C)(CNC(=O)Nc1ccc2c(c1)CNC2)C[NH+]1CCCC1 ZINC000570145947 302557901 /nfs/dbraw/zinc/55/79/01/302557901.db2.gz UVNPCZIYIGJOLV-UHFFFAOYSA-N 1 3 316.449 2.533 20 0 DFADHO COc1ccc([C@H](OC)[C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000571431471 302618184 /nfs/dbraw/zinc/61/81/84/302618184.db2.gz JGKHBXUEMVEIOZ-YQYZPQCESA-N 1 3 306.450 2.749 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571669464 302627739 /nfs/dbraw/zinc/62/77/39/302627739.db2.gz NJTALCOGAWJGAD-ZIAGYGMSSA-N 1 3 323.868 2.955 20 0 DFADHO COc1ccccc1OCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000571669398 302627910 /nfs/dbraw/zinc/62/79/10/302627910.db2.gz LCZSHEVNKFFNPA-BRWVUGGUSA-N 1 3 318.461 2.974 20 0 DFADHO [NH3+]CCC1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000574403699 302757111 /nfs/dbraw/zinc/75/71/11/302757111.db2.gz GPQWXBLZIPRTDR-LJQANCHMSA-N 1 3 318.461 2.805 20 0 DFADHO O=C(CNC1CC1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000178925118 315995752 /nfs/dbraw/zinc/99/57/52/315995752.db2.gz NFXRPGRZQSKKHZ-UHFFFAOYSA-N 1 3 301.434 2.753 20 0 DFADHO CN1CC[C@H](c2nc(-c3ccccc3C[NH+]3CCCC3)no2)C1 ZINC000349925229 316371348 /nfs/dbraw/zinc/37/13/48/316371348.db2.gz CACNRGSPQBEUSO-HNNXBMFYSA-N 1 3 312.417 2.752 20 0 DFADHO OC1CCC([NH2+]CC2CCN(Cc3cccs3)CC2)CC1 ZINC000353521998 316531632 /nfs/dbraw/zinc/53/16/32/316531632.db2.gz RIACETDJFYXDPK-UHFFFAOYSA-N 1 3 308.491 2.853 20 0 DFADHO Clc1ccccc1CN1CCC([NH2+]C2CCNCC2)CC1 ZINC000414786675 316656651 /nfs/dbraw/zinc/65/66/51/316656651.db2.gz XOZCXXADQMLJFU-UHFFFAOYSA-N 1 3 307.869 2.646 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(F)c(Br)c1 ZINC000414797213 316661981 /nfs/dbraw/zinc/66/19/81/316661981.db2.gz OVDWKWSETMIEBH-GWCFXTLKSA-N 1 3 301.203 2.805 20 0 DFADHO CCOc1cc2nccc(NC[C@H](C)[NH+](C)C)c2cc1OCC ZINC000443426704 316956426 /nfs/dbraw/zinc/95/64/26/316956426.db2.gz KTQQHNILYZMPKC-ZDUSSCGKSA-N 1 3 317.433 2.816 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450376138 317087304 /nfs/dbraw/zinc/08/73/04/317087304.db2.gz ZTGPEJOMBZMOGC-BHMZLHOFSA-N 1 3 302.462 2.867 20 0 DFADHO CN(CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)Cc1ccccc1 ZINC000450499283 317099307 /nfs/dbraw/zinc/09/93/07/317099307.db2.gz IYQPYLPEAQIUTK-OALUTQOASA-N 1 3 301.478 2.535 20 0 DFADHO CN(CCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)Cc1ccccc1 ZINC000450499283 317099310 /nfs/dbraw/zinc/09/93/10/317099310.db2.gz IYQPYLPEAQIUTK-OALUTQOASA-N 1 3 301.478 2.535 20 0 DFADHO CC1CC[NH+](C2CCC(N[C@H]3CCn4ccnc43)CC2)CC1 ZINC000453167031 317168143 /nfs/dbraw/zinc/16/81/43/317168143.db2.gz IMADQXULXVWHBQ-JCYILVPMSA-N 1 3 302.466 2.961 20 0 DFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000456705640 317244989 /nfs/dbraw/zinc/24/49/89/317244989.db2.gz IHAZKHGFVBRMFM-HZPDHXFCSA-N 1 3 323.525 2.543 20 0 DFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000456705640 317244992 /nfs/dbraw/zinc/24/49/92/317244992.db2.gz IHAZKHGFVBRMFM-HZPDHXFCSA-N 1 3 323.525 2.543 20 0 DFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000456705639 317245067 /nfs/dbraw/zinc/24/50/67/317245067.db2.gz IHAZKHGFVBRMFM-HOTGVXAUSA-N 1 3 323.525 2.543 20 0 DFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000456705639 317245070 /nfs/dbraw/zinc/24/50/70/317245070.db2.gz IHAZKHGFVBRMFM-HOTGVXAUSA-N 1 3 323.525 2.543 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000458236533 317269624 /nfs/dbraw/zinc/26/96/24/317269624.db2.gz YJNXMWAYPQSZND-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000458236533 317269628 /nfs/dbraw/zinc/26/96/28/317269628.db2.gz YJNXMWAYPQSZND-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000458236530 317269742 /nfs/dbraw/zinc/26/97/42/317269742.db2.gz YJNXMWAYPQSZND-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000458236530 317269744 /nfs/dbraw/zinc/26/97/44/317269744.db2.gz YJNXMWAYPQSZND-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCCC[C@@H]1C ZINC000459364742 317321576 /nfs/dbraw/zinc/32/15/76/317321576.db2.gz AIBYFJUGZMFOKC-DLBZAZTESA-N 1 3 316.493 2.903 20 0 DFADHO CCO[C@@H]1C[C@@H](NCc2ccc(C[NH+](C)C)cc2)[C@@H]1SC ZINC000459380775 317325134 /nfs/dbraw/zinc/32/51/34/317325134.db2.gz QTXFTABXKYGSGQ-ZACQAIPSSA-N 1 3 308.491 2.747 20 0 DFADHO CC(C)C1CC([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000488414984 317390894 /nfs/dbraw/zinc/39/08/94/317390894.db2.gz HOGBTTVOHIURLR-UHFFFAOYSA-N 1 3 316.493 2.618 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488430222 317392693 /nfs/dbraw/zinc/39/26/93/317392693.db2.gz JXEVPBLZTNBIIV-DLBZAZTESA-N 1 3 313.555 2.524 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H](N)C2)cc1OC ZINC000573385702 318017500 /nfs/dbraw/zinc/01/75/00/318017500.db2.gz GJHOOHORHKVIEI-LSDHHAIUSA-N 1 3 306.450 2.841 20 0 DFADHO COc1ccc(C(C)(C)CN[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000573385702 318017502 /nfs/dbraw/zinc/01/75/02/318017502.db2.gz GJHOOHORHKVIEI-LSDHHAIUSA-N 1 3 306.450 2.841 20 0 DFADHO CC(C)N1CC[C@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000574544398 318023964 /nfs/dbraw/zinc/02/39/64/318023964.db2.gz PSMPPKNOELRQSA-CQSZACIVSA-N 1 3 318.490 2.969 20 0 DFADHO CC(C)(CNCCC(=O)Nc1cccc(F)c1)C[NH+]1CCCC1 ZINC000574685834 318033308 /nfs/dbraw/zinc/03/33/08/318033308.db2.gz GMLDJEFBBYPXRO-UHFFFAOYSA-N 1 3 321.440 2.866 20 0 DFADHO CC(C)(C[NH2+]CCC(=O)Nc1cccc(F)c1)CN1CCCC1 ZINC000574685834 318033311 /nfs/dbraw/zinc/03/33/11/318033311.db2.gz GMLDJEFBBYPXRO-UHFFFAOYSA-N 1 3 321.440 2.866 20 0 DFADHO COc1ccc(C[C@H](C)CN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000575059145 318060304 /nfs/dbraw/zinc/06/03/04/318060304.db2.gz HWVKVNPNJILHJN-BPUTZDHNSA-N 1 3 306.425 2.554 20 0 DFADHO CC(C)[C@H](NCCOCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000575867768 318088239 /nfs/dbraw/zinc/08/82/39/318088239.db2.gz ZPOYAEUKFXTQOC-INIZCTEOSA-N 1 3 300.393 2.830 20 0 DFADHO C[NH+](C)CC[C@@H](NC[C@H](O)Cc1ccc(F)cc1)C(C)(C)C ZINC000577054818 318168101 /nfs/dbraw/zinc/16/81/01/318168101.db2.gz FGBZGAQCSLOTCI-IAGOWNOFSA-N 1 3 310.457 2.685 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(COC3CCOCC3)cc2)C1 ZINC000577527779 318199639 /nfs/dbraw/zinc/19/96/39/318199639.db2.gz BYYJVPKLLIQUKP-MSOLQXFVSA-N 1 3 318.461 2.742 20 0 DFADHO CCOc1cc2nccc(N(C)CCC[NH3+])c2cc1OCC ZINC000577608651 318205042 /nfs/dbraw/zinc/20/50/42/318205042.db2.gz RAFQKMJRVZZWOD-UHFFFAOYSA-N 1 3 303.406 2.817 20 0 DFADHO C[C@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)C1=CCN(C)CC1 ZINC000577948574 318227718 /nfs/dbraw/zinc/22/77/18/318227718.db2.gz NZPFGQKFTWLOIM-HRAATJIYSA-N 1 3 324.468 2.983 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CO1 ZINC000577952259 318227972 /nfs/dbraw/zinc/22/79/72/318227972.db2.gz ARLHVITXOHGEMY-BFYDXBDKSA-N 1 3 316.445 2.742 20 0 DFADHO Cn1cc([C@H]2CN(CC[C@H]3CCCC[N@@H+]3C)CC2(C)C)cn1 ZINC000578079727 318236341 /nfs/dbraw/zinc/23/63/41/318236341.db2.gz BKJIHPKPSAVMDF-IAGOWNOFSA-N 1 3 304.482 2.720 20 0 DFADHO Cn1cc([C@H]2CN(CC[C@H]3CCCC[N@H+]3C)CC2(C)C)cn1 ZINC000578079727 318236342 /nfs/dbraw/zinc/23/63/42/318236342.db2.gz BKJIHPKPSAVMDF-IAGOWNOFSA-N 1 3 304.482 2.720 20 0 DFADHO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@H]1CCCNC1 ZINC000578314059 318251908 /nfs/dbraw/zinc/25/19/08/318251908.db2.gz WZNFWCGAIRTHJS-HOTGVXAUSA-N 1 3 320.452 2.852 20 0 DFADHO C[C@H](NCC1CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000579108253 318307532 /nfs/dbraw/zinc/30/75/32/318307532.db2.gz LGZQKHMKWKPVOG-VIFPVBQESA-N 1 3 316.218 2.633 20 0 DFADHO CCOC(=O)[C@@]1(C(C)C)CCN(CCC[NH+]2CCCCC2)C1 ZINC000194876507 323274403 /nfs/dbraw/zinc/27/44/03/323274403.db2.gz XIHZKRQTZQUJRA-SFHVURJKSA-N 1 3 310.482 2.774 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(C)C2)CCN1Cc1ccccc1 ZINC000379631636 323289673 /nfs/dbraw/zinc/28/96/73/323289673.db2.gz RQDASHMIJYBOOV-HOJAQTOUSA-N 1 3 315.505 2.971 20 0 DFADHO CC(C)[NH+]1CCC(N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000381001171 323292794 /nfs/dbraw/zinc/29/27/94/323292794.db2.gz OOAOHPGKXJBIKP-KBPBESRZSA-N 1 3 313.486 2.751 20 0 DFADHO CCOC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000381784844 323295674 /nfs/dbraw/zinc/29/56/74/323295674.db2.gz HDJWJYCCVOSJKY-DSLXNQLJSA-N 1 3 302.462 2.912 20 0 DFADHO CCOC[C@H](C)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000381784844 323295677 /nfs/dbraw/zinc/29/56/77/323295677.db2.gz HDJWJYCCVOSJKY-DSLXNQLJSA-N 1 3 302.462 2.912 20 0 DFADHO CCOC[C@H](C)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000381784844 323295679 /nfs/dbraw/zinc/29/56/79/323295679.db2.gz HDJWJYCCVOSJKY-DSLXNQLJSA-N 1 3 302.462 2.912 20 0 DFADHO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CCCN1CCCCC1 ZINC000381988446 323296364 /nfs/dbraw/zinc/29/63/64/323296364.db2.gz OMGRNOVDGJATPU-UHFFFAOYSA-N 1 3 313.486 2.755 20 0 DFADHO CC(C)(C)OC(=O)NC(C)(C)CNCCC[NH+]1CCCCC1 ZINC000381988446 323296366 /nfs/dbraw/zinc/29/63/66/323296366.db2.gz OMGRNOVDGJATPU-UHFFFAOYSA-N 1 3 313.486 2.755 20 0 DFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccccc3)CC2)CC1 ZINC000383956690 323305653 /nfs/dbraw/zinc/30/56/53/323305653.db2.gz BNPGPGBCQVUIPD-UHFFFAOYSA-N 1 3 301.478 2.679 20 0 DFADHO CCN1CCC([N@H+]2CCCN(Cc3ccccc3)CC2)CC1 ZINC000383956690 323305656 /nfs/dbraw/zinc/30/56/56/323305656.db2.gz BNPGPGBCQVUIPD-UHFFFAOYSA-N 1 3 301.478 2.679 20 0 DFADHO C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@@H]1CCCCN1 ZINC000386534704 323318696 /nfs/dbraw/zinc/31/86/96/323318696.db2.gz BLCOHHLRFVAFPG-LPHOPBHVSA-N 1 3 301.478 2.771 20 0 DFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000387611316 323326437 /nfs/dbraw/zinc/32/64/37/323326437.db2.gz YUJWNXPMLXPABT-INIZCTEOSA-N 1 3 321.465 2.590 20 0 DFADHO CC(C)CN(CCN(C)C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000387784803 323327326 /nfs/dbraw/zinc/32/73/26/323327326.db2.gz JJHYXEFAXVYKJZ-KRWDZBQOSA-N 1 3 305.466 2.513 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Cl)c(F)c1 ZINC000397648169 323355582 /nfs/dbraw/zinc/35/55/82/323355582.db2.gz VXGZCKVQAXETOP-LLVKDONJSA-N 1 3 300.805 2.586 20 0 DFADHO C[C@@H](O)[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000584286795 332213547 /nfs/dbraw/zinc/21/35/47/332213547.db2.gz IAHDGAMUCICTCG-UONOGXRCSA-N 1 3 310.869 2.911 20 0 DFADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccoc1 ZINC000584584990 337368905 /nfs/dbraw/zinc/36/89/05/337368905.db2.gz ZEXDIBGZQVHDKA-MRXNPFEDSA-N 1 3 313.445 2.924 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)[C@@H](C)O1 ZINC000296736597 533955062 /nfs/dbraw/zinc/95/50/62/533955062.db2.gz JTRUAEJKHZNXTF-CLCXKQKWSA-N 1 3 318.461 2.815 20 0 DFADHO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000364205473 518447453 /nfs/dbraw/zinc/44/74/53/518447453.db2.gz GZYCRFJZRMVDEL-DQSGYLJSSA-N 1 3 313.489 2.848 20 0 DFADHO CC1CCC([NH+]2CCC(N(C)C(=O)[C@@H](N)C(C)(C)C)CC2)CC1 ZINC000366323397 520939739 /nfs/dbraw/zinc/93/97/39/520939739.db2.gz LPEBMSGMDLVWAD-BDVYOWHSSA-N 1 3 323.525 2.861 20 0 DFADHO CCc1nn(C)c(CC)c1CNCCCCC[NH+]1CCCC1 ZINC000339496876 522658588 /nfs/dbraw/zinc/65/85/88/522658588.db2.gz FPNMWMYKZPOTBP-UHFFFAOYSA-N 1 3 306.498 2.901 20 0 DFADHO Cc1[nH+]c2ccccc2c(N[C@H](C)CN2CCN(C)CC2)c1C ZINC000302104672 534671270 /nfs/dbraw/zinc/67/12/70/534671270.db2.gz WXOZDQXGFNCCFN-CQSZACIVSA-N 1 3 312.461 2.899 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000367614688 523989139 /nfs/dbraw/zinc/98/91/39/523989139.db2.gz IUQWOHRZBXVVSU-OKZBNKHCSA-N 1 3 314.477 2.644 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc(N3CCCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000367614688 523989146 /nfs/dbraw/zinc/98/91/46/523989146.db2.gz IUQWOHRZBXVVSU-OKZBNKHCSA-N 1 3 314.477 2.644 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000367614688 523989150 /nfs/dbraw/zinc/98/91/50/523989150.db2.gz IUQWOHRZBXVVSU-OKZBNKHCSA-N 1 3 314.477 2.644 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cc(N(C)C)nc2ccccc12 ZINC000154467457 524558812 /nfs/dbraw/zinc/55/88/12/524558812.db2.gz IROBPROVBZZVTM-YOEHRIQHSA-N 1 3 312.461 2.731 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cc(N(C)C)nc2ccccc12 ZINC000154467457 524558821 /nfs/dbraw/zinc/55/88/21/524558821.db2.gz IROBPROVBZZVTM-YOEHRIQHSA-N 1 3 312.461 2.731 20 0 DFADHO Cc1ccsc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000354025401 525845264 /nfs/dbraw/zinc/84/52/64/525845264.db2.gz CYQYTDLPOZCZBW-HZPDHXFCSA-N 1 3 307.507 2.514 20 0 DFADHO Cc1nn(C)c(C)c1CN1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000364056491 527628941 /nfs/dbraw/zinc/62/89/41/527628941.db2.gz RNJJXHFUHCKNGM-UHFFFAOYSA-N 1 3 318.509 2.981 20 0 DFADHO O[C@@H](CCc1ccccc1)CNC1CC[NH+](C2CCCC2)CC1 ZINC000364955217 527646187 /nfs/dbraw/zinc/64/61/87/527646187.db2.gz LYXYMFPZQSNNNV-FQEVSTJZSA-N 1 3 316.489 2.977 20 0 DFADHO O[C@@H](CCc1ccccc1)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000364955217 527646195 /nfs/dbraw/zinc/64/61/95/527646195.db2.gz LYXYMFPZQSNNNV-FQEVSTJZSA-N 1 3 316.489 2.977 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000294986229 527882958 /nfs/dbraw/zinc/88/29/58/527882958.db2.gz HAUTXYJZAQAFQL-AAEUAGOBSA-N 1 3 301.356 2.920 20 0 DFADHO CCOC(=O)c1cc(CNCCCCC[NH+]2CCCC2)[nH]c1C ZINC000295928020 528168250 /nfs/dbraw/zinc/16/82/50/528168250.db2.gz FMDZPBJTOGKWDI-UHFFFAOYSA-N 1 3 321.465 2.856 20 0 DFADHO CCOc1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1O ZINC000298159825 528265915 /nfs/dbraw/zinc/26/59/15/528265915.db2.gz SJMKJHCFKNFTDR-QGZVFWFLSA-N 1 3 318.461 2.955 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)c2cccnc2)CC1 ZINC000295573800 528338496 /nfs/dbraw/zinc/33/84/96/528338496.db2.gz RJRHLIUQYXNSNE-GOSISDBHSA-N 1 3 305.466 2.559 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)c2cccnc2)CC1 ZINC000295573800 528338499 /nfs/dbraw/zinc/33/84/99/528338499.db2.gz RJRHLIUQYXNSNE-GOSISDBHSA-N 1 3 305.466 2.559 20 0 DFADHO CCCC[C@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309749465 528970761 /nfs/dbraw/zinc/97/07/61/528970761.db2.gz YZHMLDBARHFWCA-NXHRZFHOSA-N 1 3 317.477 2.531 20 0 DFADHO CCCC[C@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309749465 528970766 /nfs/dbraw/zinc/97/07/66/528970766.db2.gz YZHMLDBARHFWCA-NXHRZFHOSA-N 1 3 317.477 2.531 20 0 DFADHO CCN1CCC([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000309743481 528986920 /nfs/dbraw/zinc/98/69/20/528986920.db2.gz SROGRJACRRXBFL-SFHVURJKSA-N 1 3 301.478 2.582 20 0 DFADHO CC[C@@H](O)CN1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302101125 529229399 /nfs/dbraw/zinc/22/93/99/529229399.db2.gz VBLNNRCWPGJDHN-MRXNPFEDSA-N 1 3 313.445 2.745 20 0 DFADHO CCCC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000236805330 535044382 /nfs/dbraw/zinc/04/43/82/535044382.db2.gz QIPRJNGYRPPHSZ-UONOGXRCSA-N 1 3 309.479 2.519 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000262515320 535150561 /nfs/dbraw/zinc/15/05/61/535150561.db2.gz NJZCTPBSGBARIK-KRWDZBQOSA-N 1 3 309.498 2.615 20 0 DFADHO CCCOc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000361891533 535281440 /nfs/dbraw/zinc/28/14/40/535281440.db2.gz XOAZWMCQUJPFGJ-OAHLLOKOSA-N 1 3 306.450 2.583 20 0 DFADHO CCC[C@@](C)(N)C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000262136645 535528766 /nfs/dbraw/zinc/52/87/66/535528766.db2.gz OASODSNIUYLWAR-IEBWSBKVSA-N 1 3 319.493 2.573 20 0 DFADHO CCOC(=O)CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245456000 535646492 /nfs/dbraw/zinc/64/64/92/535646492.db2.gz SWKCTRSRFGAUIX-WMZOPIPTSA-N 1 3 318.461 2.925 20 0 DFADHO CCOC(=O)CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245456000 535646496 /nfs/dbraw/zinc/64/64/96/535646496.db2.gz SWKCTRSRFGAUIX-WMZOPIPTSA-N 1 3 318.461 2.925 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1)c1ccccc1 ZINC000261914408 535674326 /nfs/dbraw/zinc/67/43/26/535674326.db2.gz QPCTYBXYNWKMQD-RYQLBKOJSA-N 1 3 317.477 2.574 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@@H]3CC34CC[NH2+]CC4)n2)cc1 ZINC000261619026 535993612 /nfs/dbraw/zinc/99/36/12/535993612.db2.gz BQLZNKFHMZAXOD-HNNXBMFYSA-N 1 3 312.417 2.655 20 0 DFADHO CN(C)Cc1ccccc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000362640239 536043879 /nfs/dbraw/zinc/04/38/79/536043879.db2.gz ZZPVOFASEXCBOI-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CN(C)Cc1ccccc1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000362640239 536043884 /nfs/dbraw/zinc/04/38/84/536043884.db2.gz ZZPVOFASEXCBOI-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO COCCOc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000361762407 536677440 /nfs/dbraw/zinc/67/74/40/536677440.db2.gz CZPOYZLCVJGDPY-ZOBUZTSGSA-N 1 3 306.450 2.845 20 0 DFADHO COCCOc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000361762407 536677445 /nfs/dbraw/zinc/67/74/45/536677445.db2.gz CZPOYZLCVJGDPY-ZOBUZTSGSA-N 1 3 306.450 2.845 20 0 DFADHO Cc1ccc2nccc(N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)c2c1 ZINC000680623618 545520474 /nfs/dbraw/zinc/52/04/74/545520474.db2.gz ZAYHDGGXNWEJOV-QGZVFWFLSA-N 1 3 324.472 2.759 20 0 DFADHO Cc1ccc2nccc(N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)c2c1 ZINC000680623618 545520476 /nfs/dbraw/zinc/52/04/76/545520476.db2.gz ZAYHDGGXNWEJOV-QGZVFWFLSA-N 1 3 324.472 2.759 20 0 DFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)C1CCC(F)(F)CC1 ZINC000682732798 545907066 /nfs/dbraw/zinc/90/70/66/545907066.db2.gz QIZJXGUZKWFIDS-OAHLLOKOSA-N 1 3 317.468 2.818 20 0 DFADHO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000683722403 546081982 /nfs/dbraw/zinc/08/19/82/546081982.db2.gz OPXMYUMUJCGALR-LJQANCHMSA-N 1 3 320.477 2.754 20 0 DFADHO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000683722403 546081985 /nfs/dbraw/zinc/08/19/85/546081985.db2.gz OPXMYUMUJCGALR-LJQANCHMSA-N 1 3 320.477 2.754 20 0 DFADHO CN(C[C@H](O)C1CC1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000685461871 546354852 /nfs/dbraw/zinc/35/48/52/546354852.db2.gz XBTWVQJEFCJDNE-SFHVURJKSA-N 1 3 304.478 2.847 20 0 DFADHO CN(C[C@H](O)C1CC1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000685461871 546354855 /nfs/dbraw/zinc/35/48/55/546354855.db2.gz XBTWVQJEFCJDNE-SFHVURJKSA-N 1 3 304.478 2.847 20 0 DFADHO CN(C[C@@H](O)C1CC1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000685461870 546355038 /nfs/dbraw/zinc/35/50/38/546355038.db2.gz XBTWVQJEFCJDNE-GOSISDBHSA-N 1 3 304.478 2.847 20 0 DFADHO CN(C[C@@H](O)C1CC1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000685461870 546355043 /nfs/dbraw/zinc/35/50/43/546355043.db2.gz XBTWVQJEFCJDNE-GOSISDBHSA-N 1 3 304.478 2.847 20 0 DFADHO CN(C)Cc1cccc(C[NH2+]CCCNC(=O)OC(C)(C)C)c1 ZINC000278499364 214193609 /nfs/dbraw/zinc/19/36/09/214193609.db2.gz NGTFFXGRQUCSSO-UHFFFAOYSA-N 1 3 321.465 2.753 20 0 DFADHO CN(CCN1CC[C@H](C[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000278514157 214204434 /nfs/dbraw/zinc/20/44/34/214204434.db2.gz BTCLZQPJOXZLJF-LJQANCHMSA-N 1 3 301.478 2.536 20 0 DFADHO CCC[N@H+](C)C[C@H]1CCN(CCN(C)Cc2ccccc2)C1 ZINC000278686004 214325053 /nfs/dbraw/zinc/32/50/53/214325053.db2.gz RZTIVAKDRKXVDE-LJQANCHMSA-N 1 3 303.494 2.782 20 0 DFADHO CCC[N@@H+](C)C[C@H]1CCN(CCN(C)Cc2ccccc2)C1 ZINC000278686004 214325054 /nfs/dbraw/zinc/32/50/54/214325054.db2.gz RZTIVAKDRKXVDE-LJQANCHMSA-N 1 3 303.494 2.782 20 0 DFADHO c1coc([C@H](C[NH2+]C2CCN(C3CC3)CC2)N2CCCC2)c1 ZINC000320109699 231190412 /nfs/dbraw/zinc/19/04/12/231190412.db2.gz GJVHYVKJPGLSJL-KRWDZBQOSA-N 1 3 303.450 2.633 20 0 DFADHO CC(C)C[C@@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000236749048 398364640 /nfs/dbraw/zinc/36/46/40/398364640.db2.gz JTWJMMXRAZURIF-QGZVFWFLSA-N 1 3 303.450 2.984 20 0 DFADHO C[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)N1CCC(C)CC1 ZINC000236716295 398363392 /nfs/dbraw/zinc/36/33/92/398363392.db2.gz NKRLYOJUQXHWRD-FUHWJXTLSA-N 1 3 317.477 2.703 20 0 DFADHO C(CN1CCC(OCC[NH+]2CCCC2)CC1)OCC1CCCC1 ZINC000459350548 299085858 /nfs/dbraw/zinc/08/58/58/299085858.db2.gz FZAFAUOKIKEGFA-UHFFFAOYSA-N 1 3 324.509 2.770 20 0 DFADHO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038842 185279160 /nfs/dbraw/zinc/27/91/60/185279160.db2.gz WNXWYJGKHKPEDM-MAUKXSAKSA-N 1 3 317.477 2.646 20 0 DFADHO CCC(CC)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028794 185278936 /nfs/dbraw/zinc/27/89/36/185278936.db2.gz URONGGRSAPYMIP-UHFFFAOYSA-N 1 3 317.477 2.790 20 0 DFADHO C[NH+](C)CCC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000092381088 185314601 /nfs/dbraw/zinc/31/46/01/185314601.db2.gz QNMWYSKBRFVTCW-UHFFFAOYSA-N 1 3 316.493 2.846 20 0 DFADHO Cc1ccoc1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000092587420 185327541 /nfs/dbraw/zinc/32/75/41/185327541.db2.gz XDEBGIIGKAQWGU-HZPDHXFCSA-N 1 3 306.450 2.909 20 0 DFADHO Cc1ncsc1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000092587506 185327576 /nfs/dbraw/zinc/32/75/76/185327576.db2.gz KEUVKDGPAXRFSM-ZIAGYGMSSA-N 1 3 323.506 2.773 20 0 DFADHO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)s1 ZINC000092738770 185337711 /nfs/dbraw/zinc/33/77/11/185337711.db2.gz NCSHMCFOMKZTHY-TZMCWYRMSA-N 1 3 323.506 2.775 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccnc1 ZINC000092740061 185337760 /nfs/dbraw/zinc/33/77/60/185337760.db2.gz WJIBNPDORHZGLD-QGZVFWFLSA-N 1 3 324.472 2.680 20 0 DFADHO Fc1ccc(-c2nc(CCN[C@@H]3CCC[NH2+]CC3)co2)cc1 ZINC000584714687 398401356 /nfs/dbraw/zinc/40/13/56/398401356.db2.gz AIFGAZREHBLSOD-OAHLLOKOSA-N 1 3 303.381 2.755 20 0 DFADHO CN1CC[C@@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000292797448 529802113 /nfs/dbraw/zinc/80/21/13/529802113.db2.gz NBDZHTLIRMWCLT-GOSISDBHSA-N 1 3 314.408 2.743 20 0 DFADHO CN1CC[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000292797448 529802114 /nfs/dbraw/zinc/80/21/14/529802114.db2.gz NBDZHTLIRMWCLT-GOSISDBHSA-N 1 3 314.408 2.743 20 0 DFADHO CN(CC1CCN(C)CC1)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000584783008 398412004 /nfs/dbraw/zinc/41/20/04/398412004.db2.gz IJIWTLYXVGXODV-SFHVURJKSA-N 1 3 323.525 2.865 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)[C@H]1SC ZINC000459427343 299103662 /nfs/dbraw/zinc/10/36/62/299103662.db2.gz NCJRTEJTLVRNEQ-CAOSSQGBSA-N 1 3 300.512 2.605 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)[C@H]1SC ZINC000459427343 299103664 /nfs/dbraw/zinc/10/36/64/299103664.db2.gz NCJRTEJTLVRNEQ-CAOSSQGBSA-N 1 3 300.512 2.605 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)[C@H]1SC ZINC000459427343 299103668 /nfs/dbraw/zinc/10/36/68/299103668.db2.gz NCJRTEJTLVRNEQ-CAOSSQGBSA-N 1 3 300.512 2.605 20 0 DFADHO CC(C)(C)OC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000592379374 398419111 /nfs/dbraw/zinc/41/91/11/398419111.db2.gz MNTKZLDTDJXLBL-QKPAOTATSA-N 1 3 308.466 2.713 20 0 DFADHO CC(C)(C)OC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000592379374 398419114 /nfs/dbraw/zinc/41/91/14/398419114.db2.gz MNTKZLDTDJXLBL-QKPAOTATSA-N 1 3 308.466 2.713 20 0 DFADHO CN(CCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000309750642 529889355 /nfs/dbraw/zinc/88/93/55/529889355.db2.gz ZFUOZGFDOBPDCR-QZTJIDSGSA-N 1 3 317.477 2.532 20 0 DFADHO OC[C@H](CC1CCCC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459449925 299109676 /nfs/dbraw/zinc/10/96/76/299109676.db2.gz JOMSKCUIKSNQEJ-KRWDZBQOSA-N 1 3 303.450 2.581 20 0 DFADHO CN1CCC[C@H]2C[N@H+](C[C@@H](O)c3cc4ccccc4o3)CC[C@H]21 ZINC000292807464 530064357 /nfs/dbraw/zinc/06/43/57/530064357.db2.gz MUSQRNXHZGPLRQ-GVDBMIGSSA-N 1 3 314.429 2.882 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](C[C@@H](O)c3cc4ccccc4o3)CC[C@H]21 ZINC000292807464 530064358 /nfs/dbraw/zinc/06/43/58/530064358.db2.gz MUSQRNXHZGPLRQ-GVDBMIGSSA-N 1 3 314.429 2.882 20 0 DFADHO CN1CCC[C@H]2C[N@H+](C[C@@H](O)c3cc4ccccc4o3)CC[C@@H]21 ZINC000292807474 530064389 /nfs/dbraw/zinc/06/43/89/530064389.db2.gz MUSQRNXHZGPLRQ-YESZJQIVSA-N 1 3 314.429 2.882 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](C[C@@H](O)c3cc4ccccc4o3)CC[C@@H]21 ZINC000292807474 530064390 /nfs/dbraw/zinc/06/43/90/530064390.db2.gz MUSQRNXHZGPLRQ-YESZJQIVSA-N 1 3 314.429 2.882 20 0 DFADHO C[N@@H+]1CCC[C@]2(CCN(Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000293048898 530065340 /nfs/dbraw/zinc/06/53/40/530065340.db2.gz SXTGSAQAGHDRKB-IBGZPJMESA-N 1 3 310.445 2.790 20 0 DFADHO C[N@H+]1CCC[C@]2(CCN(Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000293048898 530065341 /nfs/dbraw/zinc/06/53/41/530065341.db2.gz SXTGSAQAGHDRKB-IBGZPJMESA-N 1 3 310.445 2.790 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)c3cc4ccccc4o3)CC[C@H]21 ZINC000292807460 530059196 /nfs/dbraw/zinc/05/91/96/530059196.db2.gz MUSQRNXHZGPLRQ-BRWVUGGUSA-N 1 3 314.429 2.882 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3cc4ccccc4o3)CC[C@H]21 ZINC000292807460 530059197 /nfs/dbraw/zinc/05/91/97/530059197.db2.gz MUSQRNXHZGPLRQ-BRWVUGGUSA-N 1 3 314.429 2.882 20 0 DFADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000302907811 398496238 /nfs/dbraw/zinc/49/62/38/398496238.db2.gz YAPGZLFIAGRORG-WOJBJXKFSA-N 1 3 315.505 2.971 20 0 DFADHO CC(C)[N@H+]1CC[C@H](CN[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000302907811 398496244 /nfs/dbraw/zinc/49/62/44/398496244.db2.gz YAPGZLFIAGRORG-WOJBJXKFSA-N 1 3 315.505 2.971 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000272681709 210086380 /nfs/dbraw/zinc/08/63/80/210086380.db2.gz NDUJZMLWGAPHQJ-HAGHYFMRSA-N 1 3 314.473 2.913 20 0 DFADHO C[C@@]1(CNC2CC[NH+](C3CC3)CC2)OCCc2sccc21 ZINC000459567681 299136169 /nfs/dbraw/zinc/13/61/69/299136169.db2.gz VJODMBHTLYEABO-KRWDZBQOSA-N 1 3 306.475 2.752 20 0 DFADHO c1ccc2c(c1)OC[C@H]2C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459570454 299136933 /nfs/dbraw/zinc/13/69/33/299136933.db2.gz PGWBCTPCGFPEGV-OAHLLOKOSA-N 1 3 309.413 2.816 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000091739742 398543172 /nfs/dbraw/zinc/54/31/72/398543172.db2.gz DBNVKSQLODAJSZ-DYVFJYSZSA-N 1 3 317.408 2.953 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000091739742 398543174 /nfs/dbraw/zinc/54/31/74/398543174.db2.gz DBNVKSQLODAJSZ-DYVFJYSZSA-N 1 3 317.408 2.953 20 0 DFADHO CSC1(CN[C@@H]2CCCc3cccnc32)CC[NH+](C)CC1 ZINC000589345584 398547329 /nfs/dbraw/zinc/54/73/29/398547329.db2.gz XYPZWRLYJLLTAU-OAHLLOKOSA-N 1 3 305.491 2.876 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]CCc2ccc(O)cc2)cc1 ZINC000069063162 398545538 /nfs/dbraw/zinc/54/55/38/398545538.db2.gz IGTBGJSZTMJBFK-UHFFFAOYSA-N 1 3 314.429 2.665 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000321559099 398553582 /nfs/dbraw/zinc/55/35/82/398553582.db2.gz FYMKLRHGWROIDU-SFHVURJKSA-N 1 3 317.477 2.655 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000321559099 398553587 /nfs/dbraw/zinc/55/35/87/398553587.db2.gz FYMKLRHGWROIDU-SFHVURJKSA-N 1 3 317.477 2.655 20 0 DFADHO CCC[C@@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414322232 295787814 /nfs/dbraw/zinc/78/78/14/295787814.db2.gz GLIBTUYRHUMEMD-OAHLLOKOSA-N 1 3 317.477 2.662 20 0 DFADHO COC(=O)c1oc(CNCCCCC[NH+]2CCCC2)cc1C ZINC000597136290 398574006 /nfs/dbraw/zinc/57/40/06/398574006.db2.gz UHRIQNINSGMIKT-UHFFFAOYSA-N 1 3 308.422 2.730 20 0 DFADHO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1cccc(OCCN(C)C)c1 ZINC000164042096 186146993 /nfs/dbraw/zinc/14/69/93/186146993.db2.gz ZQOLATLOUVHHJE-YOEHRIQHSA-N 1 3 308.466 2.685 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1CCOCC1 ZINC000072743766 398634865 /nfs/dbraw/zinc/63/48/65/398634865.db2.gz XSYRLQYJOQGROH-IBGZPJMESA-N 1 3 320.477 2.922 20 0 DFADHO Cc1ncsc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735170 398643385 /nfs/dbraw/zinc/64/33/85/398643385.db2.gz JOCBZAJSWCHOHM-UHFFFAOYSA-N 1 3 309.479 2.528 20 0 DFADHO CCOC(=O)CCNC1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000189952022 186253943 /nfs/dbraw/zinc/25/39/43/186253943.db2.gz PEEQYMVNRAAWJC-MCPYQZEQSA-N 1 3 318.461 2.686 20 0 DFADHO CCOC(=O)CCNC1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000189952022 186253945 /nfs/dbraw/zinc/25/39/45/186253945.db2.gz PEEQYMVNRAAWJC-MCPYQZEQSA-N 1 3 318.461 2.686 20 0 DFADHO C[C@H](CNC(=O)[C@H](C)[C@@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000237456935 186292303 /nfs/dbraw/zinc/29/23/03/186292303.db2.gz ZYYWFMIONKMLDV-JFIYKMOQSA-N 1 3 317.477 2.561 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000268746019 186376129 /nfs/dbraw/zinc/37/61/29/186376129.db2.gz ASPFXPKJBZQZGK-DFQSSKMNSA-N 1 3 315.505 2.828 20 0 DFADHO COc1cc2c(cc1CNCCC1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000378927562 398657645 /nfs/dbraw/zinc/65/76/45/398657645.db2.gz VBPONZMYCVESMV-AWEZNQCLSA-N 1 3 318.461 2.840 20 0 DFADHO COc1cccc(CNCC[C@H]2CCC[NH2+]C2)c1OC(C)C ZINC000414843704 295825209 /nfs/dbraw/zinc/82/52/09/295825209.db2.gz CKGCJACSVUPAEI-OAHLLOKOSA-N 1 3 306.450 2.962 20 0 DFADHO CCCn1c(CNCC[C@@H]2CCC[NH2+]C2)nc2ccccc21 ZINC000414850357 295825802 /nfs/dbraw/zinc/82/58/02/295825802.db2.gz MTVIEZDKYDHNOQ-HNNXBMFYSA-N 1 3 300.450 2.926 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1C ZINC000414860083 295827304 /nfs/dbraw/zinc/82/73/04/295827304.db2.gz VEVWXGSTLLSXJR-XIRDDKMYSA-N 1 3 317.477 2.998 20 0 DFADHO CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786278 398673662 /nfs/dbraw/zinc/67/36/62/398673662.db2.gz LZPZEZLZIONIIP-HZPDHXFCSA-N 1 3 311.514 2.732 20 0 DFADHO CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786278 398673665 /nfs/dbraw/zinc/67/36/65/398673665.db2.gz LZPZEZLZIONIIP-HZPDHXFCSA-N 1 3 311.514 2.732 20 0 DFADHO CCOc1c(CNC[C@@H]2CCC[C@H]([NH3+])C2)c(C)nn1CC(C)C ZINC000414999745 295845865 /nfs/dbraw/zinc/84/58/65/295845865.db2.gz SGOZFLXFENSKRF-CVEARBPZSA-N 1 3 322.497 2.853 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CNCCC2(F)F)CC1 ZINC000415000541 295845883 /nfs/dbraw/zinc/84/58/83/295845883.db2.gz LFXFVNOSFIWHKJ-VNQPRFMTSA-N 1 3 315.452 2.616 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415000583 295845813 /nfs/dbraw/zinc/84/58/13/295845813.db2.gz BHKLQARYDXNQFI-RBUKOAKNSA-N 1 3 310.445 2.658 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(Br)o2)C1 ZINC000459787744 299193283 /nfs/dbraw/zinc/19/32/83/299193283.db2.gz PXEGGEGECCGBOM-LLVKDONJSA-N 1 3 301.228 2.864 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2ccc(Br)o2)C1 ZINC000459787744 299193285 /nfs/dbraw/zinc/19/32/85/299193285.db2.gz PXEGGEGECCGBOM-LLVKDONJSA-N 1 3 301.228 2.864 20 0 DFADHO Cc1[nH]nc2ncc(CN[C@H](CCC[NH3+])c3ccccc3)cc12 ZINC000415061556 295853031 /nfs/dbraw/zinc/85/30/31/295853031.db2.gz YMCDPTONIOEGSC-QGZVFWFLSA-N 1 3 309.417 2.836 20 0 DFADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000173620782 198233359 /nfs/dbraw/zinc/23/33/59/198233359.db2.gz VODBHLKGGBXHDV-JKSUJKDBSA-N 1 3 317.477 2.715 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CO1 ZINC000401870357 398688997 /nfs/dbraw/zinc/68/89/97/398688997.db2.gz BLLUCVAOPBBQTC-GYFISPQKSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CO1 ZINC000401870357 398689001 /nfs/dbraw/zinc/68/90/01/398689001.db2.gz BLLUCVAOPBBQTC-GYFISPQKSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CO1 ZINC000401870357 398689006 /nfs/dbraw/zinc/68/90/06/398689006.db2.gz BLLUCVAOPBBQTC-GYFISPQKSA-N 1 3 300.446 2.664 20 0 DFADHO COC[C@@H](C)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000174013567 198280445 /nfs/dbraw/zinc/28/04/45/198280445.db2.gz JTKZVDAPBAJSOI-OAHLLOKOSA-N 1 3 306.450 2.532 20 0 DFADHO C[N@@H+]1CCCN(CCCNCc2c(F)cccc2Cl)CC1 ZINC000105476858 398693600 /nfs/dbraw/zinc/69/36/00/398693600.db2.gz FAPVDTSOBCOHPO-UHFFFAOYSA-N 1 3 313.848 2.596 20 0 DFADHO C[N@H+]1CCCN(CCCNCc2c(F)cccc2Cl)CC1 ZINC000105476858 398693604 /nfs/dbraw/zinc/69/36/04/398693604.db2.gz FAPVDTSOBCOHPO-UHFFFAOYSA-N 1 3 313.848 2.596 20 0 DFADHO COc1cccc(OCCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415115235 295859946 /nfs/dbraw/zinc/85/99/46/295859946.db2.gz GRMJNJRIXBWYMP-IPMKNSEASA-N 1 3 318.461 2.974 20 0 DFADHO COCc1cccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000174315774 198319368 /nfs/dbraw/zinc/31/93/68/198319368.db2.gz ZFOHJYLACICPTO-CALCHBBNSA-N 1 3 320.477 2.812 20 0 DFADHO OCc1ccc(CNCC2CC[NH+](Cc3cccs3)CC2)o1 ZINC000174324533 198320304 /nfs/dbraw/zinc/32/03/04/198320304.db2.gz HCJDSLQZXDRJEO-UHFFFAOYSA-N 1 3 320.458 2.835 20 0 DFADHO Cc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1F ZINC000415121216 295860943 /nfs/dbraw/zinc/86/09/43/295860943.db2.gz HRUDVRZOGSVMMT-SJLPKXTDSA-N 1 3 306.425 2.852 20 0 DFADHO COc1ccc(C)cc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415129617 295862099 /nfs/dbraw/zinc/86/20/99/295862099.db2.gz VMMHBHQIVCVORP-HKUYNNGSSA-N 1 3 318.461 2.722 20 0 DFADHO CCCCCOc1ccc(CN2CCC(O)(C[NH3+])CC2)cc1 ZINC000415135650 295863421 /nfs/dbraw/zinc/86/34/21/295863421.db2.gz BDILTECBNTXCRY-UHFFFAOYSA-N 1 3 306.450 2.541 20 0 DFADHO CCC[N@H+](CC)CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000174653155 198365260 /nfs/dbraw/zinc/36/52/60/198365260.db2.gz WTKHFDOEQFXGKK-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO CCC[N@@H+](CC)CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000174653155 198365261 /nfs/dbraw/zinc/36/52/61/198365261.db2.gz WTKHFDOEQFXGKK-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO CC[C@](CN[C@H](C)C[C@@H]1CCC[NH2+]1)(C(=O)OC)c1ccccc1 ZINC000415146885 295864886 /nfs/dbraw/zinc/86/48/86/295864886.db2.gz ZKNQKCNLJXMJIW-HHXXYDBFSA-N 1 3 318.461 2.628 20 0 DFADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000355790055 299211459 /nfs/dbraw/zinc/21/14/59/299211459.db2.gz HRXFRWYECGELJL-ONIAQPFYSA-N 1 3 317.477 2.524 20 0 DFADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000355790055 299211462 /nfs/dbraw/zinc/21/14/62/299211462.db2.gz HRXFRWYECGELJL-ONIAQPFYSA-N 1 3 317.477 2.524 20 0 DFADHO CC(=O)Nc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000236794527 202010877 /nfs/dbraw/zinc/01/08/77/202010877.db2.gz DWGUWSJLDCCKKG-UHFFFAOYSA-N 1 3 303.450 2.998 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129278858 283009042 /nfs/dbraw/zinc/00/90/42/283009042.db2.gz WVUKVMGNLSSCPN-GJZGRUSLSA-N 1 3 321.431 2.725 20 0 DFADHO CC(C)[C@@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)N(C)C ZINC000110767892 398724562 /nfs/dbraw/zinc/72/45/62/398724562.db2.gz REIGLHYNGGNXRH-KRWDZBQOSA-N 1 3 321.465 2.542 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000073418225 191314666 /nfs/dbraw/zinc/31/46/66/191314666.db2.gz HACZJQMFBRIUTP-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000073418225 191314671 /nfs/dbraw/zinc/31/46/71/191314671.db2.gz HACZJQMFBRIUTP-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)c1ccccc1 ZINC000236826706 202027878 /nfs/dbraw/zinc/02/78/78/202027878.db2.gz PDLLXUWMDJPZBU-JKSUJKDBSA-N 1 3 305.466 2.559 20 0 DFADHO C[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)N1CCC(C)CC1 ZINC000184229260 199690253 /nfs/dbraw/zinc/69/02/53/199690253.db2.gz LOFPACVNIKHSOQ-INIZCTEOSA-N 1 3 309.498 2.522 20 0 DFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000081363260 192256830 /nfs/dbraw/zinc/25/68/30/192256830.db2.gz YWGUSXVJMZLQGV-QGZVFWFLSA-N 1 3 317.477 2.552 20 0 DFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000081363260 192256833 /nfs/dbraw/zinc/25/68/33/192256833.db2.gz YWGUSXVJMZLQGV-QGZVFWFLSA-N 1 3 317.477 2.552 20 0 DFADHO CCN1CCC(N(C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416148998 295924501 /nfs/dbraw/zinc/92/45/01/295924501.db2.gz VSSKRYZMUKUDET-GOSISDBHSA-N 1 3 317.477 2.622 20 0 DFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(N)CCCCC2)C1 ZINC000237052766 202136738 /nfs/dbraw/zinc/13/67/38/202136738.db2.gz SMYQYYOINHQVEV-HNNXBMFYSA-N 1 3 309.498 2.665 20 0 DFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(N)CCCCC2)C1 ZINC000237052766 202136741 /nfs/dbraw/zinc/13/67/41/202136741.db2.gz SMYQYYOINHQVEV-HNNXBMFYSA-N 1 3 309.498 2.665 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000237082194 202146084 /nfs/dbraw/zinc/14/60/84/202146084.db2.gz RDPDXFVYGXHMCA-WMLDXEAASA-N 1 3 305.466 2.518 20 0 DFADHO C[C@H]1CCC[C@H](C[NH+]2CCC(CN3CCN(C)CC3)CC2)C1 ZINC000367671526 290503990 /nfs/dbraw/zinc/50/39/90/290503990.db2.gz PPYQJHUJKFFSLU-HKUYNNGSSA-N 1 3 307.526 2.772 20 0 DFADHO Cc1ccc(NC(=O)CCCCCC[NH3+])c(OCCN(C)C)c1 ZINC000237182792 202178153 /nfs/dbraw/zinc/17/81/53/202178153.db2.gz GWXFUNAGWCUCED-UHFFFAOYSA-N 1 3 321.465 2.783 20 0 DFADHO C[C@H](Cn1cccn1)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000138728976 283258196 /nfs/dbraw/zinc/25/81/96/283258196.db2.gz KCECOHMNUZFVJT-IAGOWNOFSA-N 1 3 300.450 2.772 20 0 DFADHO C[C@H](Cn1cccn1)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000138728976 283258198 /nfs/dbraw/zinc/25/81/98/283258198.db2.gz KCECOHMNUZFVJT-IAGOWNOFSA-N 1 3 300.450 2.772 20 0 DFADHO CCn1cc([C@@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)cn1 ZINC000179469021 199041338 /nfs/dbraw/zinc/04/13/38/199041338.db2.gz QVDZSVWWFGLGNS-OAHLLOKOSA-N 1 3 313.449 2.865 20 0 DFADHO COCC[NH+]1CCC(N[C@@H](C)c2ccccc2N(C)C)CC1 ZINC000179404303 199030442 /nfs/dbraw/zinc/03/04/42/199030442.db2.gz NIRTXQPBTPIXAQ-HNNXBMFYSA-N 1 3 305.466 2.514 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)[C@@H]1C ZINC000354579101 291120030 /nfs/dbraw/zinc/12/00/30/291120030.db2.gz UECZTDNAXMKEKI-IPYPFGDCSA-N 1 3 310.482 2.863 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CN(C)C)CCC2 ZINC000594524480 398816195 /nfs/dbraw/zinc/81/61/95/398816195.db2.gz QPAMCJBAUHFLFG-CXAGYDPISA-N 1 3 304.434 2.638 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(CC(C)C)C2)[C@@H]1C ZINC000354571115 291122090 /nfs/dbraw/zinc/12/20/90/291122090.db2.gz LKHLSAAWQKCDCV-BDXSIMOUSA-N 1 3 324.509 2.922 20 0 DFADHO CC[C@@H](N)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000130320887 398844023 /nfs/dbraw/zinc/84/40/23/398844023.db2.gz RRKSAPWGIXHVFE-RLFYNMQTSA-N 1 3 317.477 2.518 20 0 DFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000468141407 299277275 /nfs/dbraw/zinc/27/72/75/299277275.db2.gz DGITYYGNSSTGRH-HOTGVXAUSA-N 1 3 309.498 2.630 20 0 DFADHO COC(=O)[C@@H]1C[C@H]1[C@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000594935628 398875769 /nfs/dbraw/zinc/87/57/69/398875769.db2.gz GSAOADOEHDIRFT-RRQGHBQHSA-N 1 3 308.466 2.571 20 0 DFADHO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000594935628 398875772 /nfs/dbraw/zinc/87/57/72/398875772.db2.gz GSAOADOEHDIRFT-RRQGHBQHSA-N 1 3 308.466 2.571 20 0 DFADHO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000180998657 199238676 /nfs/dbraw/zinc/23/86/76/199238676.db2.gz XWXVHSOJQIRNNM-HUUCEWRRSA-N 1 3 305.466 2.502 20 0 DFADHO CN1CCC(O)(C[NH2+]Cc2cc(-c3ccccc3)cs2)CC1 ZINC000077450073 398904691 /nfs/dbraw/zinc/90/46/91/398904691.db2.gz LFVVGNWAUVMFTJ-UHFFFAOYSA-N 1 3 316.470 2.961 20 0 DFADHO CCN1CCC(NC(=O)C[N@@H+]2CCCCC[C@H]2CC(C)C)CC1 ZINC000077657424 398916739 /nfs/dbraw/zinc/91/67/39/398916739.db2.gz OBDRRGUEISKDBL-SFHVURJKSA-N 1 3 323.525 2.878 20 0 DFADHO CCN1CCC(NC(=O)C[N@H+]2CCCCC[C@H]2CC(C)C)CC1 ZINC000077657424 398916740 /nfs/dbraw/zinc/91/67/40/398916740.db2.gz OBDRRGUEISKDBL-SFHVURJKSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(F)c2F)C[C@H](C)O1 ZINC000237668716 202322633 /nfs/dbraw/zinc/32/26/33/202322633.db2.gz FBFWVXXPRMPEOM-OKILXGFUSA-N 1 3 312.404 2.944 20 0 DFADHO C[C@H](NC[C@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417317960 296009677 /nfs/dbraw/zinc/00/96/77/296009677.db2.gz XTASAHFVZWUFPP-LUKYLMHMSA-N 1 3 322.518 2.923 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2C[C@@](C)(O)C2)CC1 ZINC000417400477 296016847 /nfs/dbraw/zinc/01/68/47/296016847.db2.gz KBNAVYLBHOEFBT-ZYSHUDEJSA-N 1 3 302.462 2.585 20 0 DFADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000158658066 398959349 /nfs/dbraw/zinc/95/93/49/398959349.db2.gz OVBRHDCNFYAUKM-GASCZTMLSA-N 1 3 317.468 2.674 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC2CCN(CC(F)F)CC2)C1 ZINC000158658066 398959350 /nfs/dbraw/zinc/95/93/50/398959350.db2.gz OVBRHDCNFYAUKM-GASCZTMLSA-N 1 3 317.468 2.674 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC2CCN(CC(F)F)CC2)C1 ZINC000158658066 398959352 /nfs/dbraw/zinc/95/93/52/398959352.db2.gz OVBRHDCNFYAUKM-GASCZTMLSA-N 1 3 317.468 2.674 20 0 DFADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000271901792 209310623 /nfs/dbraw/zinc/31/06/23/209310623.db2.gz VUXUBLVDJVCAMB-OAHLLOKOSA-N 1 3 313.445 2.726 20 0 DFADHO COc1cccc2cc([C@H](C)[NH2+]CC3(O)CCN(C)CC3)oc21 ZINC000271898456 209306844 /nfs/dbraw/zinc/30/68/44/209306844.db2.gz UWMCZZZCAMUYDR-ZDUSSCGKSA-N 1 3 318.417 2.549 20 0 DFADHO C[C@@H]1C[C@@H](C)CN(CC2(C[NH+]3C[C@H](C)C[C@@H](C)C3)COC2)C1 ZINC000246795527 283637031 /nfs/dbraw/zinc/63/70/31/283637031.db2.gz PFQFHBYITXJHGN-BRSBDYLESA-N 1 3 308.510 2.959 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3c(c2)ncn3C)[C@H](C)C1 ZINC000271882571 209291448 /nfs/dbraw/zinc/29/14/48/209291448.db2.gz VMLKWHQZMUEKPZ-RHSMWYFYSA-N 1 3 300.450 2.735 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3c(c2)ncn3C)[C@H](C)C1 ZINC000271882571 209291450 /nfs/dbraw/zinc/29/14/50/209291450.db2.gz VMLKWHQZMUEKPZ-RHSMWYFYSA-N 1 3 300.450 2.735 20 0 DFADHO COC(=O)[C@](C)(CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600150592 398972428 /nfs/dbraw/zinc/97/24/28/398972428.db2.gz FDHDPVPMYQHFLL-QFBILLFUSA-N 1 3 318.461 2.580 20 0 DFADHO COC(=O)[C@](C)(CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600150592 398972433 /nfs/dbraw/zinc/97/24/33/398972433.db2.gz FDHDPVPMYQHFLL-QFBILLFUSA-N 1 3 318.461 2.580 20 0 DFADHO CCC[NH+]1CCC(CN[C@H](C)c2cc(C(=O)OC)co2)CC1 ZINC000447534835 297307140 /nfs/dbraw/zinc/30/71/40/297307140.db2.gz AIOBBUBMCQKCAO-CYBMUJFWSA-N 1 3 308.422 2.839 20 0 DFADHO CN1C[C@@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@@H]2C1 ZINC000193608423 201085063 /nfs/dbraw/zinc/08/50/63/201085063.db2.gz LAWWGYTTXMGBAT-OKILXGFUSA-N 1 3 314.351 2.621 20 0 DFADHO CN1C[C@@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@@H]2C1 ZINC000193608423 201085064 /nfs/dbraw/zinc/08/50/64/201085064.db2.gz LAWWGYTTXMGBAT-OKILXGFUSA-N 1 3 314.351 2.621 20 0 DFADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000056524627 398977790 /nfs/dbraw/zinc/97/77/90/398977790.db2.gz XDUDSNGNMCMXMS-SJLPKXTDSA-N 1 3 323.525 2.830 20 0 DFADHO C[C@H](CN1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000604885262 398980126 /nfs/dbraw/zinc/98/01/26/398980126.db2.gz UPGNNULJAPXHAW-MJGOQNOKSA-N 1 3 301.478 2.502 20 0 DFADHO C[C@H](CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000604885262 398980130 /nfs/dbraw/zinc/98/01/30/398980130.db2.gz UPGNNULJAPXHAW-MJGOQNOKSA-N 1 3 301.478 2.502 20 0 DFADHO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](c1ccccc1)N(C)C ZINC000291623096 296044168 /nfs/dbraw/zinc/04/41/68/296044168.db2.gz HBFCNFCVKXARMC-DNVCBOLYSA-N 1 3 317.477 2.526 20 0 DFADHO Cc1ccc(CNCCN2CCC([NH+](C)C)CC2)cc1Cl ZINC000195445310 201390506 /nfs/dbraw/zinc/39/05/06/201390506.db2.gz WEABJNKQSHMWTL-UHFFFAOYSA-N 1 3 309.885 2.764 20 0 DFADHO CN1CC=C(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC000271836459 209255173 /nfs/dbraw/zinc/25/51/73/209255173.db2.gz FYRWOXQZPREBHT-UHFFFAOYSA-N 1 3 321.415 2.785 20 0 DFADHO CC[C@H](C)C[N@H+](CC)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475034594 299341076 /nfs/dbraw/zinc/34/10/76/299341076.db2.gz ODXSEUODIXIIJR-WMZOPIPTSA-N 1 3 319.493 2.774 20 0 DFADHO CC[C@H](C)C[N@@H+](CC)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475034594 299341079 /nfs/dbraw/zinc/34/10/79/299341079.db2.gz ODXSEUODIXIIJR-WMZOPIPTSA-N 1 3 319.493 2.774 20 0 DFADHO Cc1cc(CNC2CCC([NH+]3CCC(C)CC3)CC2)n(C)n1 ZINC000417952479 296066196 /nfs/dbraw/zinc/06/61/96/296066196.db2.gz OIKDCPUIBYVEQH-UHFFFAOYSA-N 1 3 304.482 2.861 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000186803702 299371219 /nfs/dbraw/zinc/37/12/19/299371219.db2.gz GQGNPCKNDMUMLB-BMGDILEWSA-N 1 3 306.450 2.581 20 0 DFADHO N[C@@]12CCC[C@@H]1C[N@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000621780944 399076454 /nfs/dbraw/zinc/07/64/54/399076454.db2.gz XNYHHATWOYSJJK-OXQOHEQNSA-N 1 3 323.440 2.982 20 0 DFADHO N[C@@]12CCC[C@@H]1C[N@@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000621780944 399076463 /nfs/dbraw/zinc/07/64/63/399076463.db2.gz XNYHHATWOYSJJK-OXQOHEQNSA-N 1 3 323.440 2.982 20 0 DFADHO C[C@H](CNC(=O)[C@H](C)[C@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000261851152 203133990 /nfs/dbraw/zinc/13/39/90/203133990.db2.gz ZYYWFMIONKMLDV-NUJGCVRESA-N 1 3 317.477 2.561 20 0 DFADHO C[C@H](N[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccc(NC(N)=O)cc1 ZINC000249309241 299399011 /nfs/dbraw/zinc/39/90/11/299399011.db2.gz KTWNSCDYSKBKOB-RSUWNVLCSA-N 1 3 304.438 2.557 20 0 DFADHO C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(NC(N)=O)cc1 ZINC000249309241 299399014 /nfs/dbraw/zinc/39/90/14/299399014.db2.gz KTWNSCDYSKBKOB-RSUWNVLCSA-N 1 3 304.438 2.557 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000262364205 203273803 /nfs/dbraw/zinc/27/38/03/203273803.db2.gz WTMWRTSGWPTUHF-HNNXBMFYSA-N 1 3 303.450 2.857 20 0 DFADHO Cc1cccnc1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000093170965 193210345 /nfs/dbraw/zinc/21/03/45/193210345.db2.gz LPZGCICKHSUFIN-IRXDYDNUSA-N 1 3 317.477 2.711 20 0 DFADHO CC(C)c1ccc([C@@H](N)CNC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000262447201 203297790 /nfs/dbraw/zinc/29/77/90/203297790.db2.gz PMSCOIHWBCRWCM-SFHVURJKSA-N 1 3 311.429 2.699 20 0 DFADHO CC[C@H](C)NC(=O)CCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340196435 284158660 /nfs/dbraw/zinc/15/86/60/284158660.db2.gz HOJANYLGAIHULG-CGTJXYLNSA-N 1 3 317.477 2.716 20 0 DFADHO CC[C@H](C)NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340196435 284158662 /nfs/dbraw/zinc/15/86/62/284158662.db2.gz HOJANYLGAIHULG-CGTJXYLNSA-N 1 3 317.477 2.716 20 0 DFADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262582164 203338319 /nfs/dbraw/zinc/33/83/19/203338319.db2.gz KUPKEEXKKKAEFV-UHFFFAOYSA-N 1 3 317.433 2.551 20 0 DFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)C1(N)CCCCC1)c1ccccc1 ZINC000262642127 203361960 /nfs/dbraw/zinc/36/19/60/203361960.db2.gz LGPWVPUXDUQCQE-HNNXBMFYSA-N 1 3 317.477 2.894 20 0 DFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](N)C(C)(C)C)c1ccccc1 ZINC000262654147 203366486 /nfs/dbraw/zinc/36/64/86/203366486.db2.gz STZVRRUCFUKJSX-UKRRQHHQSA-N 1 3 305.466 2.605 20 0 DFADHO C[NH+](C)CCCC1CCN(Cc2cccc3c2OCO3)CC1 ZINC000093688441 193289599 /nfs/dbraw/zinc/28/95/99/193289599.db2.gz YGRCGOUDHNQKOY-UHFFFAOYSA-N 1 3 304.434 2.969 20 0 DFADHO COC(=O)c1cc(CN2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000595911700 399132730 /nfs/dbraw/zinc/13/27/30/399132730.db2.gz VPKYNGUKFCVGOY-TZMCWYRMSA-N 1 3 310.463 2.874 20 0 DFADHO C[C@@H](CN1CCCCCC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000483966582 299415170 /nfs/dbraw/zinc/41/51/70/299415170.db2.gz WOOGVEHVCVVSBR-KRWDZBQOSA-N 1 3 323.525 2.879 20 0 DFADHO CCOc1cc2nccc(N3CC[C@@H]([NH2+]C)C3)c2cc1OCC ZINC000420171754 296160345 /nfs/dbraw/zinc/16/03/45/296160345.db2.gz SISUJIJKDUAQDO-CYBMUJFWSA-N 1 3 315.417 2.830 20 0 DFADHO CCOc1cc2nccc(N(C)CC[NH2+]C)c2cc1OCC ZINC000420224810 296163557 /nfs/dbraw/zinc/16/35/57/296163557.db2.gz GWASUUOWZGPYBW-UHFFFAOYSA-N 1 3 303.406 2.688 20 0 DFADHO CCOc1cc2nccc(N3CC[C@H]([NH3+])[C@@H]3C)c2cc1OCC ZINC000420246799 296165439 /nfs/dbraw/zinc/16/54/39/296165439.db2.gz GHUUUZZDYQUENN-JSGCOSHPSA-N 1 3 315.417 2.958 20 0 DFADHO CC(C)(C)OC(=O)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000596062546 399160292 /nfs/dbraw/zinc/16/02/92/399160292.db2.gz HVJBBKMWSGIMDP-BRWVUGGUSA-N 1 3 322.493 2.961 20 0 DFADHO CC(C)(C)OC(=O)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000596062546 399160295 /nfs/dbraw/zinc/16/02/95/399160295.db2.gz HVJBBKMWSGIMDP-BRWVUGGUSA-N 1 3 322.493 2.961 20 0 DFADHO CC(C)(C)OC(=O)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000596062550 399159921 /nfs/dbraw/zinc/15/99/21/399159921.db2.gz HVJBBKMWSGIMDP-YESZJQIVSA-N 1 3 322.493 2.961 20 0 DFADHO CC(C)(C)OC(=O)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000596062550 399159928 /nfs/dbraw/zinc/15/99/28/399159928.db2.gz HVJBBKMWSGIMDP-YESZJQIVSA-N 1 3 322.493 2.961 20 0 DFADHO c1c2ccccc2[nH]c1[C@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000420310971 296173320 /nfs/dbraw/zinc/17/33/20/296173320.db2.gz VORTXGUVIDMAJL-LJQANCHMSA-N 1 3 312.461 2.600 20 0 DFADHO C[C@@H]([NH3+])CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000420314141 296173831 /nfs/dbraw/zinc/17/38/31/296173831.db2.gz YWOBAORTRVNZCK-CYBMUJFWSA-N 1 3 315.383 2.560 20 0 DFADHO CCOc1cc2c(cc1OCC)CN(CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420320006 296174633 /nfs/dbraw/zinc/17/46/33/296174633.db2.gz PZHJAYVXFKRPAP-HNNXBMFYSA-N 1 3 318.461 2.842 20 0 DFADHO c1ccc2nc(N3CCN(CC[C@H]4CCC[NH2+]C4)CC3)ccc2c1 ZINC000420322090 296174816 /nfs/dbraw/zinc/17/48/16/296174816.db2.gz SEZIRTFAVRUVPM-QGZVFWFLSA-N 1 3 324.472 2.747 20 0 DFADHO CC[NH+](CC)CCOC1CCN([C@@H](C)c2cccnc2)CC1 ZINC000080645754 399166278 /nfs/dbraw/zinc/16/62/78/399166278.db2.gz NUFAVFLUSGXHAW-INIZCTEOSA-N 1 3 305.466 2.965 20 0 DFADHO C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328164 296175997 /nfs/dbraw/zinc/17/59/97/296175997.db2.gz DWPFVIDOPQRVIM-MELADBBJSA-N 1 3 321.852 2.598 20 0 DFADHO CCCCN(CCCC)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335955 296177181 /nfs/dbraw/zinc/17/71/81/296177181.db2.gz IGCJDRCSDKLBDM-ROUUACIJSA-N 1 3 323.525 2.737 20 0 DFADHO NC[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CC12CCOCC2 ZINC000420336657 296177191 /nfs/dbraw/zinc/17/71/91/296177191.db2.gz WCCLJPQBJKGJPK-AEFFLSMTSA-N 1 3 300.446 2.751 20 0 DFADHO NC[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)CC12CCOCC2 ZINC000420336657 296177193 /nfs/dbraw/zinc/17/71/93/296177193.db2.gz WCCLJPQBJKGJPK-AEFFLSMTSA-N 1 3 300.446 2.751 20 0 DFADHO CCCCN(CCCC)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335953 296177225 /nfs/dbraw/zinc/17/72/25/296177225.db2.gz IGCJDRCSDKLBDM-QZTJIDSGSA-N 1 3 323.525 2.737 20 0 DFADHO Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)c(CN(C)C)c1 ZINC000080669206 399168346 /nfs/dbraw/zinc/16/83/46/399168346.db2.gz LALITOIJDCLSEN-IAGOWNOFSA-N 1 3 315.461 2.870 20 0 DFADHO Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)c(CN(C)C)c1 ZINC000080669206 399168349 /nfs/dbraw/zinc/16/83/49/399168349.db2.gz LALITOIJDCLSEN-IAGOWNOFSA-N 1 3 315.461 2.870 20 0 DFADHO C[C@H](c1cccc(F)c1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420357043 296179652 /nfs/dbraw/zinc/17/96/52/296179652.db2.gz HKWDNCZYALILJN-CVEARBPZSA-N 1 3 305.441 2.504 20 0 DFADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1(C(=O)OC)CCC1 ZINC000596092555 399170963 /nfs/dbraw/zinc/17/09/63/399170963.db2.gz BLSNMTWCNAGAFK-DLBZAZTESA-N 1 3 322.493 2.820 20 0 DFADHO Cc1cc(C)c(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000282538137 217071985 /nfs/dbraw/zinc/07/19/85/217071985.db2.gz ZNNWTVVEMUGHCT-UHFFFAOYSA-N 1 3 303.494 2.727 20 0 DFADHO CC1(C)CNCC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000420364840 296180700 /nfs/dbraw/zinc/18/07/00/296180700.db2.gz PIQFTSYKSNIOCC-CQSZACIVSA-N 1 3 300.805 2.836 20 0 DFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2c2ccncc2)cc1 ZINC000420363968 296180328 /nfs/dbraw/zinc/18/03/28/296180328.db2.gz QERZFBVMOPXTBX-MJGOQNOKSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000420363968 296180329 /nfs/dbraw/zinc/18/03/29/296180329.db2.gz QERZFBVMOPXTBX-MJGOQNOKSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000420363968 296180330 /nfs/dbraw/zinc/18/03/30/296180330.db2.gz QERZFBVMOPXTBX-MJGOQNOKSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H]2c2ccncc2)cc1 ZINC000420363969 296180509 /nfs/dbraw/zinc/18/05/09/296180509.db2.gz QERZFBVMOPXTBX-PKOBYXMFSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000420363969 296180510 /nfs/dbraw/zinc/18/05/10/296180510.db2.gz QERZFBVMOPXTBX-PKOBYXMFSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000420363969 296180511 /nfs/dbraw/zinc/18/05/11/296180511.db2.gz QERZFBVMOPXTBX-PKOBYXMFSA-N 1 3 311.429 2.970 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC[C@H](C)[NH3+] ZINC000622045673 399175057 /nfs/dbraw/zinc/17/50/57/399175057.db2.gz LWLVFABWVODZAJ-WDEREUQCSA-N 1 3 317.355 2.749 20 0 DFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCCCC(F)(F)F)CC1 ZINC000420379262 296182964 /nfs/dbraw/zinc/18/29/64/296182964.db2.gz MZBKZQKVSZIRGW-KBPBESRZSA-N 1 3 308.388 2.937 20 0 DFADHO [NH3+]C[C@@H](NCCC(=O)NCC1CCCCC1)C1CCCCC1 ZINC000420381152 296183385 /nfs/dbraw/zinc/18/33/85/296183385.db2.gz YXEHUIAZSGVMKY-QGZVFWFLSA-N 1 3 309.498 2.570 20 0 DFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCCCC(F)(F)F)CC2)C1 ZINC000420384795 296183972 /nfs/dbraw/zinc/18/39/72/296183972.db2.gz GULUYSGUCJOJEH-UONOGXRCSA-N 1 3 308.388 2.937 20 0 DFADHO C[C@H](Cc1cccc(Cl)c1)[NH2+]CCCN1CCCN(C)CC1 ZINC000282700039 217185754 /nfs/dbraw/zinc/18/57/54/217185754.db2.gz QBEICSLCTFFMSQ-MRXNPFEDSA-N 1 3 323.912 2.888 20 0 DFADHO C[C@H](Cc1cccc(Cl)c1)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000282734910 217211559 /nfs/dbraw/zinc/21/15/59/217211559.db2.gz SVFIEBJIDHONDA-OAHLLOKOSA-N 1 3 323.912 2.887 20 0 DFADHO [NH3+]CCOCCN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000420401307 296186399 /nfs/dbraw/zinc/18/63/99/296186399.db2.gz JCEOMGWMJUSNME-CQSZACIVSA-N 1 3 302.340 2.721 20 0 DFADHO CC(C)(C)c1ccc(OCCCN2CCC(O)(C[NH3+])CC2)cc1 ZINC000420409664 296187476 /nfs/dbraw/zinc/18/74/76/296187476.db2.gz YZHOCMXLNBEZID-UHFFFAOYSA-N 1 3 320.477 2.539 20 0 DFADHO CC[C@@H](NCCOCC[NH3+])c1cc(F)cc(Br)c1 ZINC000420423197 296188186 /nfs/dbraw/zinc/18/81/86/296188186.db2.gz ZYUGORZLQLMNPN-CYBMUJFWSA-N 1 3 319.218 2.604 20 0 DFADHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N(CC)CC ZINC000618661076 399200860 /nfs/dbraw/zinc/20/08/60/399200860.db2.gz NQHDJLGIFSBUKK-NVXWUHKLSA-N 1 3 309.498 2.630 20 0 DFADHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)N(CC)CC ZINC000618661076 399200864 /nfs/dbraw/zinc/20/08/64/399200864.db2.gz NQHDJLGIFSBUKK-NVXWUHKLSA-N 1 3 309.498 2.630 20 0 DFADHO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000608061905 399229811 /nfs/dbraw/zinc/22/98/11/399229811.db2.gz DYNSVYAVXDRXGQ-OAHLLOKOSA-N 1 3 308.466 2.920 20 0 DFADHO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000608061903 399230043 /nfs/dbraw/zinc/23/00/43/399230043.db2.gz DYNSVYAVXDRXGQ-HNNXBMFYSA-N 1 3 308.466 2.920 20 0 DFADHO CCOC(=O)C1(C)CC(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000601275765 399268458 /nfs/dbraw/zinc/26/84/58/399268458.db2.gz DUKZQJWHBZPRDM-SCXZOKCQSA-N 1 3 322.493 2.961 20 0 DFADHO CCOC(=O)C1(C)CC(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000601275765 399268462 /nfs/dbraw/zinc/26/84/62/399268462.db2.gz DUKZQJWHBZPRDM-SCXZOKCQSA-N 1 3 322.493 2.961 20 0 DFADHO CCOC(=O)C1(C)CC([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000601275765 399268466 /nfs/dbraw/zinc/26/84/66/399268466.db2.gz DUKZQJWHBZPRDM-SCXZOKCQSA-N 1 3 322.493 2.961 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000623069620 399322350 /nfs/dbraw/zinc/32/23/50/399322350.db2.gz KSSPSUQMWWPTNI-INIZCTEOSA-N 1 3 316.449 2.544 20 0 DFADHO CN(C)CCN(C)CCC[NH2+]Cc1cc2ccccc2s1 ZINC000623087755 399324793 /nfs/dbraw/zinc/32/47/93/399324793.db2.gz HDWUAWZYIBVHTH-UHFFFAOYSA-N 1 3 305.491 2.874 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H](OC)C(C)C)CC1 ZINC000344715895 284677640 /nfs/dbraw/zinc/67/76/40/284677640.db2.gz PHGYGCNJJPQFMH-IBGZPJMESA-N 1 3 319.493 2.589 20 0 DFADHO COc1cccc(CNCCCC[NH+](C)C)c1OC(F)F ZINC000045598422 183519012 /nfs/dbraw/zinc/51/90/12/183519012.db2.gz WRIKJZWMUHMDSY-UHFFFAOYSA-N 1 3 302.365 2.728 20 0 DFADHO COCC[NH+]1CCC(NCc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000105423821 194103621 /nfs/dbraw/zinc/10/36/21/194103621.db2.gz DECLZDHSLAXEPI-UHFFFAOYSA-N 1 3 318.461 2.601 20 0 DFADHO CN(C)[C@@H](CC(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000422008849 296290200 /nfs/dbraw/zinc/29/02/00/296290200.db2.gz QAWCJNHZQBFLAE-ABHNRTSZSA-N 1 3 317.477 2.668 20 0 DFADHO CN1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623338312 399365522 /nfs/dbraw/zinc/36/55/22/399365522.db2.gz UVTRMUKKKLVGQE-ROUUACIJSA-N 1 3 301.478 2.723 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623338312 399365525 /nfs/dbraw/zinc/36/55/25/399365525.db2.gz UVTRMUKKKLVGQE-ROUUACIJSA-N 1 3 301.478 2.723 20 0 DFADHO C[N@H+]1CC[C@H](N[C@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623338312 399365527 /nfs/dbraw/zinc/36/55/27/399365527.db2.gz UVTRMUKKKLVGQE-ROUUACIJSA-N 1 3 301.478 2.723 20 0 DFADHO CN1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623338310 399365615 /nfs/dbraw/zinc/36/56/15/399365615.db2.gz UVTRMUKKKLVGQE-MSOLQXFVSA-N 1 3 301.478 2.723 20 0 DFADHO C[N@@H+]1CC[C@@H](N[C@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623338310 399365616 /nfs/dbraw/zinc/36/56/16/399365616.db2.gz UVTRMUKKKLVGQE-MSOLQXFVSA-N 1 3 301.478 2.723 20 0 DFADHO C[N@H+]1CC[C@@H](N[C@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623338310 399365618 /nfs/dbraw/zinc/36/56/18/399365618.db2.gz UVTRMUKKKLVGQE-MSOLQXFVSA-N 1 3 301.478 2.723 20 0 DFADHO CC[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)N(CC)CC ZINC000345806219 284755356 /nfs/dbraw/zinc/75/53/56/284755356.db2.gz QJADPDHGXQCTLE-QGZVFWFLSA-N 1 3 309.498 2.584 20 0 DFADHO C[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2ccccc21 ZINC000623347517 399368112 /nfs/dbraw/zinc/36/81/12/399368112.db2.gz CMHIFSIACOYSMF-WBVHZDCISA-N 1 3 301.478 2.900 20 0 DFADHO C[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2ccccc21 ZINC000623347517 399368115 /nfs/dbraw/zinc/36/81/15/399368115.db2.gz CMHIFSIACOYSMF-WBVHZDCISA-N 1 3 301.478 2.900 20 0 DFADHO COc1cccc(CCN[C@@H]2CC[N@H+](C)C(C)(C)C2)c1OC ZINC000623362694 399373043 /nfs/dbraw/zinc/37/30/43/399373043.db2.gz FOWHENUNEWJKDF-OAHLLOKOSA-N 1 3 306.450 2.709 20 0 DFADHO COc1cccc(CCN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1OC ZINC000623362694 399373045 /nfs/dbraw/zinc/37/30/45/399373045.db2.gz FOWHENUNEWJKDF-OAHLLOKOSA-N 1 3 306.450 2.709 20 0 DFADHO CN1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)CC1(C)C ZINC000623376014 399375784 /nfs/dbraw/zinc/37/57/84/399375784.db2.gz BYRLHPUDZHNYAG-OAHLLOKOSA-N 1 3 316.424 2.974 20 0 DFADHO CN1CC[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CC1(C)C ZINC000623387576 399377653 /nfs/dbraw/zinc/37/76/53/399377653.db2.gz JUVLDRKVKRZROV-MRXNPFEDSA-N 1 3 303.450 2.833 20 0 DFADHO CSCC1CCC(Nc2cc(N3CCNCC3)cc[nH+]2)CC1 ZINC000602020169 399386282 /nfs/dbraw/zinc/38/62/82/399386282.db2.gz JVBAWTOUVRKVGL-UHFFFAOYSA-N 1 3 320.506 2.825 20 0 DFADHO COc1ccccc1N1CC[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623445401 399391669 /nfs/dbraw/zinc/39/16/69/399391669.db2.gz PPXYHXINLSPIIZ-CVEARBPZSA-N 1 3 317.477 2.736 20 0 DFADHO COc1ccccc1N1CC[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623445401 399391673 /nfs/dbraw/zinc/39/16/73/399391673.db2.gz PPXYHXINLSPIIZ-CVEARBPZSA-N 1 3 317.477 2.736 20 0 DFADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000268862551 207032099 /nfs/dbraw/zinc/03/20/99/207032099.db2.gz SDHPDCCBAZYRJZ-HNNXBMFYSA-N 1 3 318.461 2.868 20 0 DFADHO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1CN)N1CCc2ccccc2C1 ZINC000422703485 296318348 /nfs/dbraw/zinc/31/83/48/296318348.db2.gz NFDTVEJNPYFVRN-MJGOQNOKSA-N 1 3 315.505 2.930 20 0 DFADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000268924427 207091906 /nfs/dbraw/zinc/09/19/06/207091906.db2.gz PKOLQHYFQUDPNI-DZGCQCFKSA-N 1 3 312.404 2.852 20 0 DFADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000268924427 207091910 /nfs/dbraw/zinc/09/19/10/207091910.db2.gz PKOLQHYFQUDPNI-DZGCQCFKSA-N 1 3 312.404 2.852 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCCc1cc(Br)ccc1F ZINC000422703872 296318830 /nfs/dbraw/zinc/31/88/30/296318830.db2.gz OBEXNRJEILCRIG-VHSXEESVSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@H](C[C@H](C)N)[NH2+]CCc1cc(Br)ccc1F ZINC000422703872 296318831 /nfs/dbraw/zinc/31/88/31/296318831.db2.gz OBEXNRJEILCRIG-VHSXEESVSA-N 1 3 303.219 2.846 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC1(C)C ZINC000623507235 399404048 /nfs/dbraw/zinc/40/40/48/399404048.db2.gz ADLAYMVASXZOBR-LNLFQRSKSA-N 1 3 320.452 2.754 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC1(C)C ZINC000623507235 399404051 /nfs/dbraw/zinc/40/40/51/399404051.db2.gz ADLAYMVASXZOBR-LNLFQRSKSA-N 1 3 320.452 2.754 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422704044 296318941 /nfs/dbraw/zinc/31/89/41/296318941.db2.gz JRORZQGIOGTNFB-RYQLBKOJSA-N 1 3 312.498 2.848 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2ccc(Cl)cc2)CC1 ZINC000422705986 296318981 /nfs/dbraw/zinc/31/89/81/296318981.db2.gz SLWNOVZPKCOMIC-VBNZEHGJSA-N 1 3 308.853 2.714 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422705986 296318984 /nfs/dbraw/zinc/31/89/84/296318984.db2.gz SLWNOVZPKCOMIC-VBNZEHGJSA-N 1 3 308.853 2.714 20 0 DFADHO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC(CC[NH+](C)C)CC1 ZINC000056523663 184015118 /nfs/dbraw/zinc/01/51/18/184015118.db2.gz LEMKIBDDNSSTKE-YESZJQIVSA-N 1 3 323.525 2.828 20 0 DFADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCCN1)N1CCc2sccc2C1 ZINC000422711321 296320268 /nfs/dbraw/zinc/32/02/68/296320268.db2.gz GWYQWRAUYRUKIO-YCPHGPKFSA-N 1 3 307.507 2.615 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@]2(CO)C[C@@H]2c2ccccc2)CC1(C)C ZINC000623527777 399408965 /nfs/dbraw/zinc/40/89/65/399408965.db2.gz GRDPKCYXWJFZCR-YQVWRLOYSA-N 1 3 302.462 2.615 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@]2(CO)C[C@@H]2c2ccccc2)CC1(C)C ZINC000623527777 399408967 /nfs/dbraw/zinc/40/89/67/399408967.db2.gz GRDPKCYXWJFZCR-YQVWRLOYSA-N 1 3 302.462 2.615 20 0 DFADHO COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OC1CC1 ZINC000623540206 399411847 /nfs/dbraw/zinc/41/18/47/399411847.db2.gz PUKOAVNHVXAIIU-MQVJKMGUSA-N 1 3 316.445 2.951 20 0 DFADHO CN(C)c1c(CNCC[C@H]2CCC[N@H+](C)C2)ccc(F)c1F ZINC000623547267 399413276 /nfs/dbraw/zinc/41/32/76/399413276.db2.gz LFOIYLAYHXBMEV-CYBMUJFWSA-N 1 3 311.420 2.852 20 0 DFADHO CN(C)c1c(CNCC[C@H]2CCC[N@@H+](C)C2)ccc(F)c1F ZINC000623547267 399413281 /nfs/dbraw/zinc/41/32/81/399413281.db2.gz LFOIYLAYHXBMEV-CYBMUJFWSA-N 1 3 311.420 2.852 20 0 DFADHO C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCCCN1 ZINC000422725025 296322047 /nfs/dbraw/zinc/32/20/47/296322047.db2.gz XIGIDLOJJXVVEY-KXBFYZLASA-N 1 3 319.468 2.910 20 0 DFADHO C[C@H](NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422725025 296322048 /nfs/dbraw/zinc/32/20/48/296322048.db2.gz XIGIDLOJJXVVEY-KXBFYZLASA-N 1 3 319.468 2.910 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422725450 296322056 /nfs/dbraw/zinc/32/20/56/296322056.db2.gz YAQJEVBSMVYGNP-YJBOKZPZSA-N 1 3 305.441 2.507 20 0 DFADHO Clc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422727388 296322488 /nfs/dbraw/zinc/32/24/88/296322488.db2.gz CFQFPSAUQQXJRR-GVDBMIGSSA-N 1 3 308.853 2.629 20 0 DFADHO Clc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422727386 296322550 /nfs/dbraw/zinc/32/25/50/296322550.db2.gz CFQFPSAUQQXJRR-BRWVUGGUSA-N 1 3 308.853 2.629 20 0 DFADHO CCOC(=O)CC[C@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000611036222 399429992 /nfs/dbraw/zinc/42/99/92/399429992.db2.gz FIFILSUULAGNGS-IAGOWNOFSA-N 1 3 310.482 2.916 20 0 DFADHO CCOC(=O)CC[C@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000611036222 399429994 /nfs/dbraw/zinc/42/99/94/399429994.db2.gz FIFILSUULAGNGS-IAGOWNOFSA-N 1 3 310.482 2.916 20 0 DFADHO C[C@@H](CCN(C)C)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000269009988 207163464 /nfs/dbraw/zinc/16/34/64/207163464.db2.gz NKBUXDMRMWHJEW-INIZCTEOSA-N 1 3 321.484 2.762 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cc(OC)ccc1OC ZINC000269097088 207237678 /nfs/dbraw/zinc/23/76/78/207237678.db2.gz SDQJBESLWCDXDD-GDBMZVCRSA-N 1 3 324.465 2.711 20 0 DFADHO CSC[C@](C)(O)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000305127749 295627531 /nfs/dbraw/zinc/62/75/31/295627531.db2.gz LUBMQLQFESLRQN-HYVNUMGLSA-N 1 3 314.539 2.733 20 0 DFADHO COC(=O)c1[nH]c(CNCCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000602512372 399465044 /nfs/dbraw/zinc/46/50/44/399465044.db2.gz ASRGBECCMKEHQT-CQSZACIVSA-N 1 3 321.465 2.711 20 0 DFADHO COC(=O)c1[nH]c(CNCCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000602512372 399465045 /nfs/dbraw/zinc/46/50/45/399465045.db2.gz ASRGBECCMKEHQT-CQSZACIVSA-N 1 3 321.465 2.711 20 0 DFADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCCC[C@H]2C)[nH]c1C ZINC000602513718 399465625 /nfs/dbraw/zinc/46/56/25/399465625.db2.gz HAHIZOQMCYUUJA-CQSZACIVSA-N 1 3 321.465 2.854 20 0 DFADHO COC(=O)c1cc(CNCCCC[N@H+]2CCCC[C@H]2C)[nH]c1C ZINC000602513718 399465629 /nfs/dbraw/zinc/46/56/29/399465629.db2.gz HAHIZOQMCYUUJA-CQSZACIVSA-N 1 3 321.465 2.854 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1cccs1 ZINC000422741839 296324447 /nfs/dbraw/zinc/32/44/47/296324447.db2.gz PFYFLMBCTPFXIE-RRFJBIMHSA-N 1 3 308.491 2.772 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1cccs1 ZINC000422741838 296324481 /nfs/dbraw/zinc/32/44/81/296324481.db2.gz PFYFLMBCTPFXIE-RBSFLKMASA-N 1 3 308.491 2.772 20 0 DFADHO CCC[C@@H](NC1CCC(C[NH3+])CC1)c1nnc2ccccn21 ZINC000422735562 296323765 /nfs/dbraw/zinc/32/37/65/296323765.db2.gz FFVGCNGUZJWODK-YMAMQOFZSA-N 1 3 301.438 2.678 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000422736589 296323868 /nfs/dbraw/zinc/32/38/68/296323868.db2.gz YFKMDXPHCGNALQ-VBNZEHGJSA-N 1 3 310.869 2.960 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC(C)(C)c1ccc(Cl)cc1 ZINC000422736589 296323869 /nfs/dbraw/zinc/32/38/69/296323869.db2.gz YFKMDXPHCGNALQ-VBNZEHGJSA-N 1 3 310.869 2.960 20 0 DFADHO CCN1CCC[C@H](N[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000422738523 296324019 /nfs/dbraw/zinc/32/40/19/296324019.db2.gz JOBAXRSLEQYDAQ-WDSOQIARSA-N 1 3 317.477 2.562 20 0 DFADHO C[C@@H](NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422737586 296324185 /nfs/dbraw/zinc/32/41/85/296324185.db2.gz ZXKTZIGTATWQIH-NZSAHSFTSA-N 1 3 301.478 2.944 20 0 DFADHO Cc1ccccc1OCCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422744416 296324911 /nfs/dbraw/zinc/32/49/11/296324911.db2.gz SVDFJBKNLBWSRN-OKZBNKHCSA-N 1 3 318.461 2.511 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422740767 296324548 /nfs/dbraw/zinc/32/45/48/296324548.db2.gz NEAVPSSHOBPAGI-NBMJBFSESA-N 1 3 301.478 2.942 20 0 DFADHO c1cn(-c2cccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)cn1 ZINC000422742395 296324788 /nfs/dbraw/zinc/32/47/88/296324788.db2.gz GFSCSTADGDJRTN-GUDVDZBRSA-N 1 3 310.445 2.883 20 0 DFADHO c1ccc(SCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422750395 296326058 /nfs/dbraw/zinc/32/60/58/296326058.db2.gz DATQBZOXVYZIES-OKZBNKHCSA-N 1 3 320.502 2.916 20 0 DFADHO [NH3+][C@H]1CCC[C@H]1NCCCc1ccc(Br)cc1F ZINC000422751210 296326440 /nfs/dbraw/zinc/32/64/40/296326440.db2.gz AXZJDRQSPCFOON-UONOGXRCSA-N 1 3 315.230 2.990 20 0 DFADHO CCN1CCC[C@@H]1CN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422752845 296327112 /nfs/dbraw/zinc/32/71/12/296327112.db2.gz HOQUYZGXWJLHBZ-NZSAHSFTSA-N 1 3 317.477 2.562 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000422755252 296327240 /nfs/dbraw/zinc/32/72/40/296327240.db2.gz GMTAPDUGUVQCBE-PVAVHDDUSA-N 1 3 305.441 2.820 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422755252 296327241 /nfs/dbraw/zinc/32/72/41/296327241.db2.gz GMTAPDUGUVQCBE-PVAVHDDUSA-N 1 3 305.441 2.820 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422756680 296327674 /nfs/dbraw/zinc/32/76/74/296327674.db2.gz HVQAUGSHTDECFX-RCCFBDPRSA-N 1 3 320.452 2.850 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ccccc1F ZINC000422762630 296328956 /nfs/dbraw/zinc/32/89/56/296328956.db2.gz SFDDXYFGUJPJDA-LBPRGKRZSA-N 1 3 303.381 2.717 20 0 DFADHO C[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@@H]1CCCCO1 ZINC000623866261 399482657 /nfs/dbraw/zinc/48/26/57/399482657.db2.gz PZQKDIKITHCUSX-YJBOKZPZSA-N 1 3 306.450 2.674 20 0 DFADHO Cc1cccc(N2CCC([NH2+][C@@H]3CCCCC[C@H]3N)CC2)n1 ZINC000422765710 296329794 /nfs/dbraw/zinc/32/97/94/296329794.db2.gz RCGGGWAVXRJVHQ-IAGOWNOFSA-N 1 3 302.466 2.608 20 0 DFADHO Fc1cccc(N2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422767077 296329816 /nfs/dbraw/zinc/32/98/16/296329816.db2.gz SGUMHBRQDRDIDZ-TVXGVJEUSA-N 1 3 303.425 2.667 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422771174 296330261 /nfs/dbraw/zinc/33/02/61/296330261.db2.gz XVKSFUCUXDTFRT-QAPCUYQASA-N 1 3 320.452 2.981 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000422772418 296330719 /nfs/dbraw/zinc/33/07/19/296330719.db2.gz YIMYQWVJBGLGSC-LPHOPBHVSA-N 1 3 324.472 2.774 20 0 DFADHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000623879537 399485885 /nfs/dbraw/zinc/48/58/85/399485885.db2.gz JLKBQFOAEBMZNN-WBVHZDCISA-N 1 3 306.450 2.674 20 0 DFADHO C[C@@H](NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422776509 296331191 /nfs/dbraw/zinc/33/11/91/296331191.db2.gz CTKXVWOWMXOVQS-BHIYHBOVSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@H](CCCC[NH3+])N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422777611 296331496 /nfs/dbraw/zinc/33/14/96/296331496.db2.gz FVIHQVVUGQKUNF-HIFRSBDPSA-N 1 3 323.868 2.943 20 0 DFADHO C[C@@H](NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CC[NH2+]C1 ZINC000422784081 296332461 /nfs/dbraw/zinc/33/24/61/296332461.db2.gz LVALOBHTAKYUPW-ZBFHGGJFSA-N 1 3 321.896 2.892 20 0 DFADHO c1ccc(CN2CCCC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422790325 296333395 /nfs/dbraw/zinc/33/33/95/296333395.db2.gz XPSKNDNMVOSPCD-JIRNRHONSA-N 1 3 313.489 2.914 20 0 DFADHO COc1ccc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422791512 296333629 /nfs/dbraw/zinc/33/36/29/296333629.db2.gz QGJGMLLCQZHODT-GUDVDZBRSA-N 1 3 318.461 2.974 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCNc1ncc(Cl)cc1Cl ZINC000422795177 296333970 /nfs/dbraw/zinc/33/39/70/296333970.db2.gz ZUOAUSCCQBIHGZ-MFKMUULPSA-N 1 3 317.264 2.778 20 0 DFADHO Cc1ccc(O[C@H](C)CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422795500 296334502 /nfs/dbraw/zinc/33/45/02/296334502.db2.gz VTUXXPDUBPMUSN-NXWXRZEISA-N 1 3 318.461 2.509 20 0 DFADHO Cc1ccccc1O[C@H](C)CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422796791 296334545 /nfs/dbraw/zinc/33/45/45/296334545.db2.gz ZBDWYFGZUMUACT-VSZNYVQBSA-N 1 3 318.461 2.509 20 0 DFADHO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000422803038 296335865 /nfs/dbraw/zinc/33/58/65/296335865.db2.gz CHUSYAMAMOCCSV-QZTJIDSGSA-N 1 3 317.477 2.918 20 0 DFADHO c1cn(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000422803957 296335958 /nfs/dbraw/zinc/33/59/58/296335958.db2.gz DRMNARZRDWGDTD-VAMGGRTRSA-N 1 3 324.472 2.942 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000422809387 296337040 /nfs/dbraw/zinc/33/70/40/296337040.db2.gz MFHOCZSVCRXOAZ-BMGDILEWSA-N 1 3 313.449 2.880 20 0 DFADHO C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@H]1CCCCN1 ZINC000422815394 296338222 /nfs/dbraw/zinc/33/82/22/296338222.db2.gz BLTFZXNRLGXBHJ-SJLPKXTDSA-N 1 3 312.461 2.594 20 0 DFADHO CC[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)N1CCc2ccccc2C1 ZINC000422812581 296337533 /nfs/dbraw/zinc/33/75/33/296337533.db2.gz WOVUDKOBNYWXLM-SXLOBPIMSA-N 1 3 315.505 2.930 20 0 DFADHO C[C@H](NCCCN1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422812179 296337596 /nfs/dbraw/zinc/33/75/96/296337596.db2.gz VSYUQLPWHNCURF-QFBILLFUSA-N 1 3 301.478 2.555 20 0 DFADHO C[C@H](NCCCN1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422812177 296337661 /nfs/dbraw/zinc/33/76/61/296337661.db2.gz VSYUQLPWHNCURF-LPHOPBHVSA-N 1 3 301.478 2.555 20 0 DFADHO CCCCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1(C)C ZINC000422819518 296339103 /nfs/dbraw/zinc/33/91/03/296339103.db2.gz NCUXSMBRXRVISW-OBVSXPTNSA-N 1 3 324.509 2.717 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(COCC(F)(F)F)cc1 ZINC000422826654 296340096 /nfs/dbraw/zinc/34/00/96/296340096.db2.gz RGHGLWHZVVWDTG-GJZGRUSLSA-N 1 3 316.367 2.983 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000422830963 296341177 /nfs/dbraw/zinc/34/11/77/296341177.db2.gz JDBUACWKZDWAHX-ZSYWTGECSA-N 1 3 317.477 2.568 20 0 DFADHO CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)cc1 ZINC000422839837 296342344 /nfs/dbraw/zinc/34/23/44/296342344.db2.gz RNKSACULEZRMGU-ZTFGCOKTSA-N 1 3 304.478 2.869 20 0 DFADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000422832445 296341359 /nfs/dbraw/zinc/34/13/59/296341359.db2.gz VBPDDGDJQSJVOV-SJORKVTESA-N 1 3 306.413 2.995 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)Cc1ccccc1 ZINC000422832870 296341415 /nfs/dbraw/zinc/34/14/15/296341415.db2.gz LMEBSIPEUGATHE-HOJAQTOUSA-N 1 3 317.521 2.917 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422833736 296341890 /nfs/dbraw/zinc/34/18/90/296341890.db2.gz MUVUISYXLVYQJV-RCCFBDPRSA-N 1 3 302.462 2.711 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422843450 296343418 /nfs/dbraw/zinc/34/34/18/296343418.db2.gz IILUZTJZTHBGEZ-MAUKXSAKSA-N 1 3 324.428 2.551 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422841419 296342662 /nfs/dbraw/zinc/34/26/62/296342662.db2.gz CYNDZILFAMIEIM-XKQJLSEDSA-N 1 3 306.425 2.589 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2ccc(F)cc2)CCC1 ZINC000422841419 296342664 /nfs/dbraw/zinc/34/26/64/296342664.db2.gz CYNDZILFAMIEIM-XKQJLSEDSA-N 1 3 306.425 2.589 20 0 DFADHO Clc1cccc([C@@H](CNC2CC[NH2+]CC2)N2CCCC2)c1 ZINC000422848487 296344385 /nfs/dbraw/zinc/34/43/85/296344385.db2.gz UBESAROQGBRATC-QGZVFWFLSA-N 1 3 307.869 2.819 20 0 DFADHO COCCOc1ccccc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347069139 285011000 /nfs/dbraw/zinc/01/10/00/285011000.db2.gz OITNEHBKLZIKPP-SFHVURJKSA-N 1 3 318.461 2.676 20 0 DFADHO C[C@H](CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422853345 296345291 /nfs/dbraw/zinc/34/52/91/296345291.db2.gz SAODVYHIFGUDME-NXWXRZEISA-N 1 3 302.462 2.927 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422856632 296345607 /nfs/dbraw/zinc/34/56/07/296345607.db2.gz XFFBOGOTKYBPEV-ZSLBOAEBSA-N 1 3 308.388 2.697 20 0 DFADHO CC[C@@H](NC1CCN(c2ccccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422860842 296346526 /nfs/dbraw/zinc/34/65/26/296346526.db2.gz LWUHWVUEHXBRMQ-SJORKVTESA-N 1 3 302.466 2.561 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000422864187 296346866 /nfs/dbraw/zinc/34/68/66/296346866.db2.gz ULXFGYCXUDFYTQ-DOTOQJQBSA-N 1 3 310.445 2.778 20 0 DFADHO CCOCCOCc1cccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422860255 296346222 /nfs/dbraw/zinc/34/62/22/296346222.db2.gz LFABNLUXQLCLBN-RTBURBONSA-N 1 3 320.477 2.847 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422871235 296348144 /nfs/dbraw/zinc/34/81/44/296348144.db2.gz YLQLBTPOQZUZPL-DVOMOZLQSA-N 1 3 309.404 2.521 20 0 DFADHO COc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])c(C(F)(F)F)c1 ZINC000422877212 296349156 /nfs/dbraw/zinc/34/91/56/296349156.db2.gz HJGAFPUSVRTDBH-IINYFYTJSA-N 1 3 302.340 2.931 20 0 DFADHO CCOc1ccc(C2(C[NH2+][C@H](C)C[C@@H](C)N)CCOCC2)cc1 ZINC000422874542 296348525 /nfs/dbraw/zinc/34/85/25/296348525.db2.gz AIJHRXYXVIVHST-HZPDHXFCSA-N 1 3 320.477 2.849 20 0 DFADHO CCOc1ccc(C2(CN[C@H](C)C[C@@H](C)[NH3+])CCOCC2)cc1 ZINC000422874542 296348526 /nfs/dbraw/zinc/34/85/26/296348526.db2.gz AIJHRXYXVIVHST-HZPDHXFCSA-N 1 3 320.477 2.849 20 0 DFADHO COc1cc(OC)c(CCN[C@H]2CCCCC[C@H]2[NH3+])c(OC)c1 ZINC000422886824 296350972 /nfs/dbraw/zinc/35/09/72/296350972.db2.gz JSRPFHXQGXGBPM-CVEARBPZSA-N 1 3 322.449 2.505 20 0 DFADHO Cc1cc(N2CC(N(C)C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000347408261 285038264 /nfs/dbraw/zinc/03/82/64/285038264.db2.gz MLPBFIUTSODFAD-UHFFFAOYSA-N 1 3 307.344 2.895 20 0 DFADHO COC1CCN(C(C)(C)CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422891291 296351411 /nfs/dbraw/zinc/35/14/11/296351411.db2.gz VBYRXTPMEFXNIG-QZTJIDSGSA-N 1 3 317.477 2.610 20 0 DFADHO COc1ccc(C)cc1C1(CN[C@H](C)C[C@H](C)[NH3+])CCOCC1 ZINC000422901884 296352952 /nfs/dbraw/zinc/35/29/52/296352952.db2.gz SQYJXTVOPKCNEP-JKSUJKDBSA-N 1 3 320.477 2.767 20 0 DFADHO COc1ccc(C)cc1C1(C[NH2+][C@H](C)C[C@H](C)N)CCOCC1 ZINC000422901884 296352954 /nfs/dbraw/zinc/35/29/54/296352954.db2.gz SQYJXTVOPKCNEP-JKSUJKDBSA-N 1 3 320.477 2.767 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1nc2cc(Cl)ccc2s1 ZINC000422900596 296353011 /nfs/dbraw/zinc/35/30/11/296353011.db2.gz JRZOEGWLSGCRSW-NSHDSACASA-N 1 3 313.854 2.793 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1F ZINC000422904875 296353936 /nfs/dbraw/zinc/35/39/36/296353936.db2.gz QYDHZMKXGKHXGP-DYVFJYSZSA-N 1 3 316.424 2.798 20 0 DFADHO CC(C)c1nc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cs1 ZINC000422907261 296354156 /nfs/dbraw/zinc/35/41/56/296354156.db2.gz WSEBLBNVWKFNLP-BZUAXINKSA-N 1 3 323.506 2.556 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422906108 296354437 /nfs/dbraw/zinc/35/44/37/296354437.db2.gz JDHJOPHWWCQBEX-UONOGXRCSA-N 1 3 307.507 2.932 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCCc1nc2c(s1)CCCC2 ZINC000422906108 296354438 /nfs/dbraw/zinc/35/44/38/296354438.db2.gz JDHJOPHWWCQBEX-UONOGXRCSA-N 1 3 307.507 2.932 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422909704 296354571 /nfs/dbraw/zinc/35/45/71/296354571.db2.gz OUIYMDYOHIZJQA-QEJZJMRPSA-N 1 3 323.868 2.644 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000422909704 296354572 /nfs/dbraw/zinc/35/45/72/296354572.db2.gz OUIYMDYOHIZJQA-QEJZJMRPSA-N 1 3 323.868 2.644 20 0 DFADHO C[C@H](NC[C@H]1CCCCN1Cc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000422910503 296354710 /nfs/dbraw/zinc/35/47/10/296354710.db2.gz QVCDVEGHNFEHEM-KBXCAEBGSA-N 1 3 321.896 2.892 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000119964251 195071052 /nfs/dbraw/zinc/07/10/52/195071052.db2.gz PXNDSVJQSVFXCS-KQTLUZQSSA-N 1 3 322.884 2.632 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000119964251 195071054 /nfs/dbraw/zinc/07/10/54/195071054.db2.gz PXNDSVJQSVFXCS-KQTLUZQSSA-N 1 3 322.884 2.632 20 0 DFADHO Cc1cccc(NCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422919869 296355636 /nfs/dbraw/zinc/35/56/36/296355636.db2.gz LCCFPTQCBFAKEH-YESZJQIVSA-N 1 3 302.466 2.702 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)c1ccsc1 ZINC000119968209 195072041 /nfs/dbraw/zinc/07/20/41/195072041.db2.gz WYCPLXXFSJIOOR-NVXWUHKLSA-N 1 3 323.506 2.637 20 0 DFADHO CC(C)[C@@H](CN[C@@H](C)C[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000422925606 296356114 /nfs/dbraw/zinc/35/61/14/296356114.db2.gz BIPYLAXEGWVCAA-TXPKVOOTSA-N 1 3 303.494 2.785 20 0 DFADHO Cc1csc(CCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422911682 296354934 /nfs/dbraw/zinc/35/49/34/296354934.db2.gz UFBKIJOQYYICHE-HRCADAONSA-N 1 3 323.506 2.521 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000422911466 296355052 /nfs/dbraw/zinc/35/50/52/296355052.db2.gz SXIVMPCFLDMANL-GUTXKFCHSA-N 1 3 323.868 2.515 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930129 296356759 /nfs/dbraw/zinc/35/67/59/296356759.db2.gz SGWVJIRYORXFPE-UKRRQHHQSA-N 1 3 324.852 2.761 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930517 296356866 /nfs/dbraw/zinc/35/68/66/296356866.db2.gz USTHSOMEOXYUJH-SWLSCSKDSA-N 1 3 324.852 2.631 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930517 296356867 /nfs/dbraw/zinc/35/68/67/296356867.db2.gz USTHSOMEOXYUJH-SWLSCSKDSA-N 1 3 324.852 2.631 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000422933993 296357276 /nfs/dbraw/zinc/35/72/76/296357276.db2.gz BWQDHULILNQWOJ-MWDXBVQZSA-N 1 3 319.493 2.511 20 0 DFADHO CSC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CCOCC1 ZINC000422923649 296356214 /nfs/dbraw/zinc/35/62/14/296356214.db2.gz SHOUVUMRQWAFHU-HRCADAONSA-N 1 3 312.523 2.799 20 0 DFADHO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)N1CCc2ccccc2C1 ZINC000422937660 296357898 /nfs/dbraw/zinc/35/78/98/296357898.db2.gz JQDSGKOALUKEBI-OTWHNJEPSA-N 1 3 301.478 2.539 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC000422937660 296357899 /nfs/dbraw/zinc/35/78/99/296357899.db2.gz JQDSGKOALUKEBI-OTWHNJEPSA-N 1 3 301.478 2.539 20 0 DFADHO CC(C)c1noc(CCC[NH2+][C@H]2C[C@H](N)c3ccccc32)n1 ZINC000422938095 296357918 /nfs/dbraw/zinc/35/79/18/296357918.db2.gz PIOYIXUIUMBWIR-GJZGRUSLSA-N 1 3 300.406 2.860 20 0 DFADHO c1cc2c(cc1[C@H](N[C@@H]1CCC[NH2+]CC1)C1CC1)OCCO2 ZINC000422938570 296358144 /nfs/dbraw/zinc/35/81/44/296358144.db2.gz HEZRGCYVTDVYFR-CRAIPNDOSA-N 1 3 302.418 2.641 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOc1cccc(Br)c1 ZINC000422943347 296358675 /nfs/dbraw/zinc/35/86/75/296358675.db2.gz LCJPEEMREQYPJI-SMDDNHRTSA-N 1 3 313.239 2.545 20 0 DFADHO C[C@H](NCC1(c2ccc(Cl)cc2)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000422935802 296357512 /nfs/dbraw/zinc/35/75/12/296357512.db2.gz DTCODCCBVJOUDT-LSDHHAIUSA-N 1 3 322.880 2.976 20 0 DFADHO C[C@@H](NCC1(c2ccc(Cl)cc2)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000422935799 296357629 /nfs/dbraw/zinc/35/76/29/296357629.db2.gz DTCODCCBVJOUDT-CABCVRRESA-N 1 3 322.880 2.976 20 0 DFADHO CC[C@H](N[C@@H]1CC[NH2+]CC[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000422947108 296359370 /nfs/dbraw/zinc/35/93/70/296359370.db2.gz PXKFEGHKOVBHHM-CWRNSKLLSA-N 1 3 304.434 2.887 20 0 DFADHO c1cnc2c(c1)cccc2OCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422952165 296360016 /nfs/dbraw/zinc/36/00/16/296360016.db2.gz AEESCTYCISXBFG-SJPCQFCGSA-N 1 3 311.429 2.876 20 0 DFADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000422953710 296360275 /nfs/dbraw/zinc/36/02/75/296360275.db2.gz GGMPMNSOEJDEPC-ZWKOTPCHSA-N 1 3 315.461 2.559 20 0 DFADHO CC(C)(CO)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000422962235 296361377 /nfs/dbraw/zinc/36/13/77/296361377.db2.gz CFHYALHOBLTUMJ-KZNAEPCWSA-N 1 3 304.478 2.896 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCCNc1cccc(Br)c1 ZINC000422966687 296362152 /nfs/dbraw/zinc/36/21/52/296362152.db2.gz RSLYDQMYHOBHAQ-GHMZBOCLSA-N 1 3 300.244 2.576 20 0 DFADHO CN(C)Cc1ccc(-c2ccccc2CN[C@@H]2CC[NH2+]C2)cc1 ZINC000422969663 296362968 /nfs/dbraw/zinc/36/29/68/296362968.db2.gz VBCVTNNDWKDOGW-LJQANCHMSA-N 1 3 309.457 2.867 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(NCCOC)cc1)[C@@H]1CCCCN1 ZINC000422971294 296363021 /nfs/dbraw/zinc/36/30/21/296363021.db2.gz YBVZWPFALNWTCE-ROUUACIJSA-N 1 3 305.466 2.755 20 0 DFADHO CSc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)ccn1 ZINC000422986810 296364179 /nfs/dbraw/zinc/36/41/79/296364179.db2.gz HKMBQBWJYDFTMP-CZUORRHYSA-N 1 3 301.459 2.852 20 0 DFADHO N[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c2ccccc21 ZINC000422978750 296363652 /nfs/dbraw/zinc/36/36/52/296363652.db2.gz KMFDPSOWBKLBCE-BOUXLOLZSA-N 1 3 321.424 2.806 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423001197 296366061 /nfs/dbraw/zinc/36/60/61/296366061.db2.gz DESLLJOUOVVVQO-WJFTUGDTSA-N 1 3 302.462 2.663 20 0 DFADHO CCC(CC)(CO)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423003220 296366190 /nfs/dbraw/zinc/36/61/90/296366190.db2.gz LBVFVSSZHHADPF-QFBILLFUSA-N 1 3 318.461 2.631 20 0 DFADHO C[C@H](NCCc1cc(Cl)ccc1Br)C1C[NH2+]C1 ZINC000422998525 296365669 /nfs/dbraw/zinc/36/56/69/296365669.db2.gz QNLNRHYXVSIDJQ-VIFPVBQESA-N 1 3 317.658 2.843 20 0 DFADHO C[C@H]([NH2+]CCc1cc(Cl)ccc1Br)C1CNC1 ZINC000422998525 296365670 /nfs/dbraw/zinc/36/56/70/296365670.db2.gz QNLNRHYXVSIDJQ-VIFPVBQESA-N 1 3 317.658 2.843 20 0 DFADHO CN(Cc1ccco1)Cc1ccccc1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000423009389 296367252 /nfs/dbraw/zinc/36/72/52/296367252.db2.gz VLIDSSYPPVABKL-OALUTQOASA-N 1 3 313.445 2.881 20 0 DFADHO CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1N ZINC000423009389 296367254 /nfs/dbraw/zinc/36/72/54/296367254.db2.gz VLIDSSYPPVABKL-OALUTQOASA-N 1 3 313.445 2.881 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1c[nH]c2ncccc12 ZINC000423006486 296366797 /nfs/dbraw/zinc/36/67/97/296366797.db2.gz VKYDTICJXUVPGN-LBPRGKRZSA-N 1 3 309.417 2.618 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000423017319 296368188 /nfs/dbraw/zinc/36/81/88/296368188.db2.gz OLRFADCABPRXNN-IAAVTCLWSA-N 1 3 302.462 2.623 20 0 DFADHO COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423020869 296368493 /nfs/dbraw/zinc/36/84/93/296368493.db2.gz DAESMXYVNOIMBQ-OWCLPIDISA-N 1 3 306.450 2.688 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423021461 296368833 /nfs/dbraw/zinc/36/88/33/296368833.db2.gz FEONPFSPEKYNBM-MKBNYLNASA-N 1 3 311.832 2.775 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423021461 296368835 /nfs/dbraw/zinc/36/88/35/296368835.db2.gz FEONPFSPEKYNBM-MKBNYLNASA-N 1 3 311.832 2.775 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H]3C[NH2+]CC[C@@H]3C)c2)CC1 ZINC000423022396 296368912 /nfs/dbraw/zinc/36/89/12/296368912.db2.gz FDRUWERELOPLFF-LPHOPBHVSA-N 1 3 316.493 2.627 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H](C)[C@H]3CC[NH2+]C3)c2)CC1 ZINC000423033513 296370309 /nfs/dbraw/zinc/37/03/09/296370309.db2.gz WZBYTXNAZQUTLR-SJORKVTESA-N 1 3 316.493 2.627 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H](C)C[C@H](C)[NH3+])c2)CC1 ZINC000423028841 296369640 /nfs/dbraw/zinc/36/96/40/296369640.db2.gz RKRMVJKUTRMSSZ-JKSUJKDBSA-N 1 3 304.482 2.755 20 0 DFADHO COc1ccc(C[C@@H](C)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000423028995 296369674 /nfs/dbraw/zinc/36/96/74/296369674.db2.gz ULVRKVUIGMVUQY-KTFSGNIMSA-N 1 3 318.461 2.755 20 0 DFADHO COCC[C@H](Cc1ccco1)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000423028568 296369700 /nfs/dbraw/zinc/36/97/00/296369700.db2.gz GSEDGPRVBQPQPB-XWIAVFTESA-N 1 3 300.402 2.962 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423038055 296370450 /nfs/dbraw/zinc/37/04/50/296370450.db2.gz CGZYTVYXMMZNRG-HWWQOWPSSA-N 1 3 311.832 2.775 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423038055 296370451 /nfs/dbraw/zinc/37/04/51/296370451.db2.gz CGZYTVYXMMZNRG-HWWQOWPSSA-N 1 3 311.832 2.775 20 0 DFADHO CCC[N@H+](C)CC(C)(C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000620622225 399545128 /nfs/dbraw/zinc/54/51/28/399545128.db2.gz HXJONIVGUDXMNE-QGZVFWFLSA-N 1 3 319.493 2.916 20 0 DFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000620622225 399545130 /nfs/dbraw/zinc/54/51/30/399545130.db2.gz HXJONIVGUDXMNE-QGZVFWFLSA-N 1 3 319.493 2.916 20 0 DFADHO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000286280157 218889596 /nfs/dbraw/zinc/88/95/96/218889596.db2.gz WLPKCYXZPKFAKO-SFHVURJKSA-N 1 3 315.461 2.626 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1nn(C)c2ccccc12 ZINC000423046618 296371538 /nfs/dbraw/zinc/37/15/38/296371538.db2.gz DVPPVOKDYWAZOF-KXBFYZLASA-N 1 3 322.456 2.664 20 0 DFADHO COc1ccc2c(c1)CCC[C@H]2CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423046891 296371677 /nfs/dbraw/zinc/37/16/77/296371677.db2.gz GGPJLKIHGHOSTQ-PMRDEQMMSA-N 1 3 300.446 2.988 20 0 DFADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423046015 296371732 /nfs/dbraw/zinc/37/17/32/296371732.db2.gz DTTRQEDXZMZAFN-TZMCWYRMSA-N 1 3 308.223 2.900 20 0 DFADHO Cc1cccc(C[C@H](CO)N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423053564 296372460 /nfs/dbraw/zinc/37/24/60/296372460.db2.gz ARJNPHIIAKQXGI-UAFMIMERSA-N 1 3 316.489 2.799 20 0 DFADHO Cn1cc([C@H](NC2CCC(C[NH3+])CC2)c2ccc(F)cc2)cn1 ZINC000423054533 296372693 /nfs/dbraw/zinc/37/26/93/296372693.db2.gz USCXEFMAKVMPRT-ZTUNLMCQSA-N 1 3 316.424 2.756 20 0 DFADHO C[C@H](NC[C@@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423059361 296373302 /nfs/dbraw/zinc/37/33/02/296373302.db2.gz FKIDQLCDZVIJQG-SNRMKQJTSA-N 1 3 301.478 2.627 20 0 DFADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc2c(c1)CNC2 ZINC000347651506 285114046 /nfs/dbraw/zinc/11/40/46/285114046.db2.gz IYGHGINLTBTXDX-UHFFFAOYSA-N 1 3 309.413 2.912 20 0 DFADHO [NH3+][C@@H]1CCCCC[C@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000423063360 296373767 /nfs/dbraw/zinc/37/37/67/296373767.db2.gz WEAYDILMYPVYQL-QZTJIDSGSA-N 1 3 321.896 2.948 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423066779 296374070 /nfs/dbraw/zinc/37/40/70/296374070.db2.gz XVTSTXHPCCICIM-XQQFMLRXSA-N 1 3 315.383 3.000 20 0 DFADHO C[C@H](O)[C@](C)(CN[C@@H]1CCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000423070157 296374690 /nfs/dbraw/zinc/37/46/90/296374690.db2.gz FQGSJQZOUMBNGU-AITUJVMLSA-N 1 3 304.478 2.866 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000423080605 296375871 /nfs/dbraw/zinc/37/58/71/296375871.db2.gz ZOUQEFWXPLGXJM-IPELMVKDSA-N 1 3 301.478 2.551 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CCCCN1C1CC1 ZINC000423080605 296375872 /nfs/dbraw/zinc/37/58/72/296375872.db2.gz ZOUQEFWXPLGXJM-IPELMVKDSA-N 1 3 301.478 2.551 20 0 DFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCN1CCCC(C)(C)C1 ZINC000423085238 296376504 /nfs/dbraw/zinc/37/65/04/296376504.db2.gz JMLXNFXWLMLNNH-AEFFLSMTSA-N 1 3 303.494 2.657 20 0 DFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CCCC(C)(C)C1 ZINC000423085238 296376506 /nfs/dbraw/zinc/37/65/06/296376506.db2.gz JMLXNFXWLMLNNH-AEFFLSMTSA-N 1 3 303.494 2.657 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000423097273 296378024 /nfs/dbraw/zinc/37/80/24/296378024.db2.gz QPCXPKFERQIBFY-MHORFTMASA-N 1 3 321.509 2.678 20 0 DFADHO COCCSCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000375734658 285125824 /nfs/dbraw/zinc/12/58/24/285125824.db2.gz XHOTWNLAHRZKIA-NVXWUHKLSA-N 1 3 312.523 2.705 20 0 DFADHO COCCSCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000375734658 285125825 /nfs/dbraw/zinc/12/58/25/285125825.db2.gz XHOTWNLAHRZKIA-NVXWUHKLSA-N 1 3 312.523 2.705 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](CO)CC1CCCC1 ZINC000423101009 296378130 /nfs/dbraw/zinc/37/81/30/296378130.db2.gz NIGVTPHXKPGHLA-KFKAGJAMSA-N 1 3 304.478 2.723 20 0 DFADHO CC(C)SCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423103291 296378709 /nfs/dbraw/zinc/37/87/09/296378709.db2.gz GGTRQFVTIFEMAE-WBVHZDCISA-N 1 3 306.475 2.974 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000616997976 399560053 /nfs/dbraw/zinc/56/00/53/399560053.db2.gz DPYXZCMDXBSCLJ-RDJZCZTQSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000616997976 399560057 /nfs/dbraw/zinc/56/00/57/399560057.db2.gz DPYXZCMDXBSCLJ-RDJZCZTQSA-N 1 3 321.509 2.630 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000423118733 296380667 /nfs/dbraw/zinc/38/06/67/296380667.db2.gz AATFEAOICBAZOF-BLLLJJGKSA-N 1 3 315.392 2.642 20 0 DFADHO Cc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc(N2CCCC2)n1 ZINC000423122428 296380908 /nfs/dbraw/zinc/38/09/08/296380908.db2.gz KRZDCBZFBFFJMG-SJORKVTESA-N 1 3 302.466 2.597 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000423129515 296381877 /nfs/dbraw/zinc/38/18/77/296381877.db2.gz XEHSUENVCIMHKT-FIRPJDEBSA-N 1 3 324.468 2.701 20 0 DFADHO c1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423132254 296382688 /nfs/dbraw/zinc/38/26/88/296382688.db2.gz PCHUVSFWZFFHDM-ZGXWSNOMSA-N 1 3 314.473 2.927 20 0 DFADHO c1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423132251 296382827 /nfs/dbraw/zinc/38/28/27/296382827.db2.gz PCHUVSFWZFFHDM-LWYYNNOASA-N 1 3 314.473 2.927 20 0 DFADHO CC(C)Cc1ccc([C@H](CN[C@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000423136787 296383234 /nfs/dbraw/zinc/38/32/34/296383234.db2.gz ZLILBXDAUICZMH-FHWLQOOXSA-N 1 3 303.494 2.957 20 0 DFADHO CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2N)N(C)C)cc1 ZINC000423136787 296383235 /nfs/dbraw/zinc/38/32/35/296383235.db2.gz ZLILBXDAUICZMH-FHWLQOOXSA-N 1 3 303.494 2.957 20 0 DFADHO CN(Cc1ccccc1)C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000423148459 296385039 /nfs/dbraw/zinc/38/50/39/296385039.db2.gz GCADRFABNHUYBX-DFNIBXOVSA-N 1 3 313.489 2.914 20 0 DFADHO c1ccc2c(c1)CC[C@@H]2CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423150003 296385407 /nfs/dbraw/zinc/38/54/07/296385407.db2.gz YJVBXCKXVCRYFR-RSPOEFSDSA-N 1 3 314.473 2.853 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000423154368 296385837 /nfs/dbraw/zinc/38/58/37/296385837.db2.gz OVMDVXIETDSMLC-IAQYHMDHSA-N 1 3 300.805 2.836 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000423163573 296386915 /nfs/dbraw/zinc/38/69/15/296386915.db2.gz MVGKBPCCPHOYAH-UAFMIMERSA-N 1 3 316.489 2.717 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000423161340 296386606 /nfs/dbraw/zinc/38/66/06/296386606.db2.gz JAVWVBMHLOBXOK-DOMZBBRYSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1cccc(Br)c1 ZINC000423161340 296386609 /nfs/dbraw/zinc/38/66/09/296386609.db2.gz JAVWVBMHLOBXOK-DOMZBBRYSA-N 1 3 311.267 2.969 20 0 DFADHO c1coc([C@@H]2C[C@H]2N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423173835 296388050 /nfs/dbraw/zinc/38/80/50/296388050.db2.gz AGCYKOWODWLACA-YKTARERQSA-N 1 3 310.397 2.981 20 0 DFADHO COc1cccc2c1C[C@H](N[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C2 ZINC000423173618 296388122 /nfs/dbraw/zinc/38/81/22/296388122.db2.gz ZLEMFVSTFRWYIW-BJZITVGISA-N 1 3 310.441 2.711 20 0 DFADHO CC(C)[C@@H](NCCCN1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423180132 296388958 /nfs/dbraw/zinc/38/89/58/296388958.db2.gz IEGHFAJRGWOOHW-QGZVFWFLSA-N 1 3 311.420 2.547 20 0 DFADHO COCCC[C@H](NCCC[NH3+])c1ccc(Br)cc1 ZINC000423178291 296388573 /nfs/dbraw/zinc/38/85/73/296388573.db2.gz BQOFYPOIWVYELG-AWEZNQCLSA-N 1 3 315.255 2.855 20 0 DFADHO COc1cccc2c1CC[C@@H]2NCCC[NH2+]Cc1cccnc1 ZINC000423191553 296390489 /nfs/dbraw/zinc/39/04/89/296390489.db2.gz SWYZTADVGSPAAJ-SFHVURJKSA-N 1 3 311.429 2.847 20 0 DFADHO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000157639517 197203671 /nfs/dbraw/zinc/20/36/71/197203671.db2.gz BLAKIKWWALVVLR-JYJNAYRXSA-N 1 3 308.466 2.685 20 0 DFADHO C[C@@H](O)C[C@@H](C)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000157639379 197203310 /nfs/dbraw/zinc/20/33/10/197203310.db2.gz BLAKIKWWALVVLR-OAGGEKHMSA-N 1 3 308.466 2.685 20 0 DFADHO C[NH2+]CCCN[C@H](C)Cc1ccc(F)cc1Br ZINC000423198954 296391627 /nfs/dbraw/zinc/39/16/27/296391627.db2.gz IURBFNADTFUTNW-SNVBAGLBSA-N 1 3 303.219 2.718 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2CCCNC2)cc1OC ZINC000423215306 296393484 /nfs/dbraw/zinc/39/34/84/296393484.db2.gz QIFNAGJHMKWECH-GJZGRUSLSA-N 1 3 306.450 2.532 20 0 DFADHO COc1cc(C)c(C[C@H](C)NC[C@H]2CCC[NH2+]C2)cc1OC ZINC000423215306 296393485 /nfs/dbraw/zinc/39/34/85/296393485.db2.gz QIFNAGJHMKWECH-GJZGRUSLSA-N 1 3 306.450 2.532 20 0 DFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCCNC2)cc1OC ZINC000423220963 296394106 /nfs/dbraw/zinc/39/41/06/296394106.db2.gz YYUXACCSBYDFTG-KFWWJZLASA-N 1 3 306.450 2.785 20 0 DFADHO COC[C@H](NCC[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423242665 296396411 /nfs/dbraw/zinc/39/64/11/296396411.db2.gz FNECHHLXOQAFFP-DOMZBBRYSA-N 1 3 316.367 2.982 20 0 DFADHO COC[C@@H](NCC[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1F ZINC000423250907 296396938 /nfs/dbraw/zinc/39/69/38/296396938.db2.gz REYFAZOANBILKF-SMDDNHRTSA-N 1 3 300.805 2.756 20 0 DFADHO CC[NH+]1CCC(N[C@H](C)[C@H](OC)c2ccc(OC)cc2)CC1 ZINC000271655221 209098166 /nfs/dbraw/zinc/09/81/66/209098166.db2.gz CEWTWDVZUWOIAK-KDOFPFPSSA-N 1 3 306.450 2.845 20 0 DFADHO COc1cc(F)c([C@H](C)NCC[C@H]2CCC[NH2+]C2)cc1OC ZINC000423258937 296397780 /nfs/dbraw/zinc/39/77/80/296397780.db2.gz NDSZCCIJRNXTGN-QWHCGFSZSA-N 1 3 310.413 2.883 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000423271481 296399244 /nfs/dbraw/zinc/39/92/44/296399244.db2.gz HPGGZLIYVFCPHN-QAETUUGQSA-N 1 3 310.482 2.996 20 0 DFADHO CC(C)CC[C@@H]1CCC[C@@H]1NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629406041 399594747 /nfs/dbraw/zinc/59/47/47/399594747.db2.gz UFWOWCJYVYGZIR-UAGQMJEPSA-N 1 3 305.470 2.507 20 0 DFADHO CC(C)(C)[C@@H]1CCC[C@@H](NCc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000629405750 399595385 /nfs/dbraw/zinc/59/53/85/399595385.db2.gz MJFZFROSVPOWET-INMHGKMJSA-N 1 3 319.497 2.897 20 0 DFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000423266890 296398486 /nfs/dbraw/zinc/39/84/86/296398486.db2.gz DWOTVROQHUMRDZ-POAQFYNOSA-N 1 3 315.505 2.799 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@H](C)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423278026 296399829 /nfs/dbraw/zinc/39/98/29/296399829.db2.gz QJMDCBGVNJPYHZ-LXZKKBNFSA-N 1 3 318.465 2.995 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@H]1CCc2cccc(Br)c2C1 ZINC000423276416 296399882 /nfs/dbraw/zinc/39/98/82/296399882.db2.gz OKZAABKGCOFOGM-AAEUAGOBSA-N 1 3 311.267 2.752 20 0 DFADHO CNC[C@H](C)C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423276416 296399883 /nfs/dbraw/zinc/39/98/83/296399883.db2.gz OKZAABKGCOFOGM-AAEUAGOBSA-N 1 3 311.267 2.752 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H](C)[NH3+] ZINC000423300230 296402259 /nfs/dbraw/zinc/40/22/59/296402259.db2.gz CSVMGQOEMALCIP-YCPHGPKFSA-N 1 3 323.506 2.621 20 0 DFADHO C[C@@H](CN)C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423299308 296401886 /nfs/dbraw/zinc/40/18/86/296401886.db2.gz BRNKLDYFDQJSPM-NHYWBVRUSA-N 1 3 311.267 2.955 20 0 DFADHO C[C@H](CC[NH2+][C@@H](C)c1cnn(C)c1)N(C)Cc1ccccc1 ZINC000156210260 197095903 /nfs/dbraw/zinc/09/59/03/197095903.db2.gz HRMFRTPEYOFNQD-CVEARBPZSA-N 1 3 300.450 2.981 20 0 DFADHO COc1cc(F)c([C@H](C)NCC2(C)CC[NH2+]CC2)cc1OC ZINC000423323616 296404430 /nfs/dbraw/zinc/40/44/30/296404430.db2.gz IGHCRLHKTMVKJW-LBPRGKRZSA-N 1 3 310.413 2.883 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000155641862 197074705 /nfs/dbraw/zinc/07/47/05/197074705.db2.gz XURGSELJDOVYJV-YOEHRIQHSA-N 1 3 303.450 2.984 20 0 DFADHO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cccc(OCCN(C)C)c1 ZINC000624221467 399602356 /nfs/dbraw/zinc/60/23/56/399602356.db2.gz APWSIIAWIGWJCD-UCLAIMLFSA-N 1 3 318.461 2.845 20 0 DFADHO C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624221467 399602362 /nfs/dbraw/zinc/60/23/62/399602362.db2.gz APWSIIAWIGWJCD-UCLAIMLFSA-N 1 3 318.461 2.845 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000423344012 296406703 /nfs/dbraw/zinc/40/67/03/296406703.db2.gz DXVZPAMGXMULTM-MAUKXSAKSA-N 1 3 315.461 2.797 20 0 DFADHO CCC[NH+]1CCC(CNC(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000423343414 296406709 /nfs/dbraw/zinc/40/67/09/296406709.db2.gz DLLRKLLTTCKJHK-QGZVFWFLSA-N 1 3 309.498 2.522 20 0 DFADHO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cccc(OCCN(C)C)c1 ZINC000624221468 399602549 /nfs/dbraw/zinc/60/25/49/399602549.db2.gz APWSIIAWIGWJCD-YJLNNSPDSA-N 1 3 318.461 2.845 20 0 DFADHO C[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624221468 399602554 /nfs/dbraw/zinc/60/25/54/399602554.db2.gz APWSIIAWIGWJCD-YJLNNSPDSA-N 1 3 318.461 2.845 20 0 DFADHO C[C@H](CNC(=O)[C@@H](N)CC1CCCCC1)[NH+]1CCC(C)CC1 ZINC000423357154 296408312 /nfs/dbraw/zinc/40/83/12/296408312.db2.gz LQCHAIKUPQEXBO-WBVHZDCISA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H](Cc1cnccn1)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347900294 285232123 /nfs/dbraw/zinc/23/21/23/285232123.db2.gz JMLQZCYXZDJIBR-LMMKCTJWSA-N 1 3 324.472 2.908 20 0 DFADHO C[C@H](Cc1cnccn1)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347900294 285232126 /nfs/dbraw/zinc/23/21/26/285232126.db2.gz JMLQZCYXZDJIBR-LMMKCTJWSA-N 1 3 324.472 2.908 20 0 DFADHO C[C@H](Cc1cnccn1)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347900293 285232188 /nfs/dbraw/zinc/23/21/88/285232188.db2.gz JMLQZCYXZDJIBR-AOIWGVFYSA-N 1 3 324.472 2.908 20 0 DFADHO C[C@H](Cc1cnccn1)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347900293 285232190 /nfs/dbraw/zinc/23/21/90/285232190.db2.gz JMLQZCYXZDJIBR-AOIWGVFYSA-N 1 3 324.472 2.908 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3c(c1)CNC3)CC2 ZINC000423372075 296409722 /nfs/dbraw/zinc/40/97/22/296409722.db2.gz GQIOAOHSNQVILU-LJQANCHMSA-N 1 3 308.425 2.946 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)[C@H](C)O1 ZINC000294722138 224191938 /nfs/dbraw/zinc/19/19/38/224191938.db2.gz BXYOFMOFIUMYTQ-JFRXWTBNSA-N 1 3 302.462 2.707 20 0 DFADHO C[C@@H]1C[C@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[C@H](C)O1 ZINC000294722138 224191940 /nfs/dbraw/zinc/19/19/40/224191940.db2.gz BXYOFMOFIUMYTQ-JFRXWTBNSA-N 1 3 302.462 2.707 20 0 DFADHO C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H](C)O1 ZINC000294722138 224191942 /nfs/dbraw/zinc/19/19/42/224191942.db2.gz BXYOFMOFIUMYTQ-JFRXWTBNSA-N 1 3 302.462 2.707 20 0 DFADHO C[C@H](NC[C@H]1CC[C@H](C[NH3+])CC1)c1nc2ccccc2n1C ZINC000423431427 296416177 /nfs/dbraw/zinc/41/61/77/296416177.db2.gz VHKOFJKUTWXKMG-KKUMJFAQSA-N 1 3 300.450 2.989 20 0 DFADHO CC[C@@H](COC)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000120687657 195216652 /nfs/dbraw/zinc/21/66/52/195216652.db2.gz CQDAUQTYCGIYRN-SFHVURJKSA-N 1 3 320.477 2.922 20 0 DFADHO CCN1CCC[C@H]1C[N@H+](CCN(C)C)CC1(SC)CCC1 ZINC000356313411 285281888 /nfs/dbraw/zinc/28/18/88/285281888.db2.gz YRQVZSNXHVYBDA-INIZCTEOSA-N 1 3 313.555 2.620 20 0 DFADHO CCN1CCC[C@H]1C[N@@H+](CCN(C)C)CC1(SC)CCC1 ZINC000356313411 285281889 /nfs/dbraw/zinc/28/18/89/285281889.db2.gz YRQVZSNXHVYBDA-INIZCTEOSA-N 1 3 313.555 2.620 20 0 DFADHO CC(C)[NH+]1CCC(NC[C@]2(CO)C[C@H]2c2ccccc2)CC1 ZINC000289602878 221096058 /nfs/dbraw/zinc/09/60/58/221096058.db2.gz CTBUUBXUKAIIAD-OALUTQOASA-N 1 3 302.462 2.615 20 0 DFADHO C[C@H](CCCO)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000294879033 224281152 /nfs/dbraw/zinc/28/11/52/224281152.db2.gz VKFSTEIEUZWLFY-VBSBHUPXSA-N 1 3 316.489 2.895 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CCCN1CC(F)F ZINC000629520896 399633997 /nfs/dbraw/zinc/63/39/97/399633997.db2.gz ZHVQKDQGRZOLTL-ILXRZTDVSA-N 1 3 303.441 2.616 20 0 DFADHO C[C@H](Cc1ccccc1C(F)(F)F)NCC1([NH3+])CCOCC1 ZINC000629522064 399635122 /nfs/dbraw/zinc/63/51/22/399635122.db2.gz WYXFBAWWUMEDHP-GFCCVEGCSA-N 1 3 316.367 2.734 20 0 DFADHO C[C@@H](Cc1ccccc1C(F)(F)F)NCC1([NH3+])CCOCC1 ZINC000629522065 399635752 /nfs/dbraw/zinc/63/57/52/399635752.db2.gz WYXFBAWWUMEDHP-LBPRGKRZSA-N 1 3 316.367 2.734 20 0 DFADHO C[NH2+]CCOCCN[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000629529008 399636637 /nfs/dbraw/zinc/63/66/37/399636637.db2.gz PCPQKMSSDCOYAA-CYBMUJFWSA-N 1 3 303.233 2.806 20 0 DFADHO C[NH2+]CCOCCN[C@H]1CCCOc2ccc(C(C)C)cc21 ZINC000629529935 399637426 /nfs/dbraw/zinc/63/74/26/399637426.db2.gz QWOXLUQBBIZJNP-KRWDZBQOSA-N 1 3 306.450 2.849 20 0 DFADHO C[NH2+]CCOCCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000629530172 399637389 /nfs/dbraw/zinc/63/73/89/399637389.db2.gz XHQZUSSLVQDHTB-GOSISDBHSA-N 1 3 302.393 2.741 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000289957009 221340902 /nfs/dbraw/zinc/34/09/02/221340902.db2.gz MPEPGYLLOVHISA-HRCADAONSA-N 1 3 323.506 2.635 20 0 DFADHO C[NH2+]CCOCCN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000629530206 399637771 /nfs/dbraw/zinc/63/77/71/399637771.db2.gz ZIDYRSQDJYEGRS-OAHLLOKOSA-N 1 3 316.367 2.982 20 0 DFADHO c1n[nH]cc1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000289982711 221360663 /nfs/dbraw/zinc/36/06/63/221360663.db2.gz XZBOAURBJWFCKS-LDLYASANSA-N 1 3 310.445 2.737 20 0 DFADHO c1n[nH]cc1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000289982711 221360664 /nfs/dbraw/zinc/36/06/64/221360664.db2.gz XZBOAURBJWFCKS-LDLYASANSA-N 1 3 310.445 2.737 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cccc2cc[nH]c21 ZINC000289977719 221355871 /nfs/dbraw/zinc/35/58/71/221355871.db2.gz ZPFUUHDKVMKYOB-UHFFFAOYSA-N 1 3 314.477 2.626 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccc2cc[nH]c21 ZINC000289977719 221355873 /nfs/dbraw/zinc/35/58/73/221355873.db2.gz ZPFUUHDKVMKYOB-UHFFFAOYSA-N 1 3 314.477 2.626 20 0 DFADHO C[C@@H]1CC[C@H](N[C@@H]2CCCN(Cc3ccccc3)[C@H]2C)C[NH2+]1 ZINC000629538423 399640298 /nfs/dbraw/zinc/64/02/98/399640298.db2.gz JOLSHYUCANASRN-KCITZHQASA-N 1 3 301.478 2.770 20 0 DFADHO COc1ccc2cc([C@@H](C)NCCOCCC[NH3+])ccc2c1 ZINC000629537406 399640581 /nfs/dbraw/zinc/64/05/81/399640581.db2.gz HSLYEJYWKZGPQI-CQSZACIVSA-N 1 3 302.418 2.864 20 0 DFADHO [NH3+]CCCOCCN[C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000629540380 399639947 /nfs/dbraw/zinc/63/99/47/399639947.db2.gz SVARTISFMAQFLX-ZDUSSCGKSA-N 1 3 303.233 2.936 20 0 DFADHO CCOc1ccc(Cl)cc1[C@H](C)NCCOCCC[NH3+] ZINC000629541529 399641935 /nfs/dbraw/zinc/64/19/35/399641935.db2.gz QAUCFXNSIWWTGX-LBPRGKRZSA-N 1 3 300.830 2.755 20 0 DFADHO CN(CCOCC[NH3+])Cc1cccc(Oc2ccccc2)c1 ZINC000629577124 399653702 /nfs/dbraw/zinc/65/37/02/399653702.db2.gz PZDKXMTYCAGFHG-UHFFFAOYSA-N 1 3 300.402 2.886 20 0 DFADHO CCC(CC)(CNC[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000629585272 399655710 /nfs/dbraw/zinc/65/57/10/399655710.db2.gz PESMLIJVMQBZRR-SFHVURJKSA-N 1 3 322.468 2.930 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccccc1CC(F)(F)F ZINC000629555291 399647192 /nfs/dbraw/zinc/64/71/92/399647192.db2.gz UKICLNMAPVUUPR-GLQYFDAESA-N 1 3 316.367 2.633 20 0 DFADHO CCc1ccc(C(C)(C)CNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629562222 399650193 /nfs/dbraw/zinc/65/01/93/399650193.db2.gz CCHJYRLNMGDOPI-GOSISDBHSA-N 1 3 304.478 2.573 20 0 DFADHO Cc1ccc(SC[C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000629573851 399651586 /nfs/dbraw/zinc/65/15/86/399651586.db2.gz CIFJBWMEDHEPPK-CVEARBPZSA-N 1 3 308.491 2.522 20 0 DFADHO CC1(C)CC[C@@H](CNC[C@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000629573010 399652467 /nfs/dbraw/zinc/65/24/67/399652467.db2.gz BNLGMSKBUPBDCH-IRXDYDNUSA-N 1 3 316.489 2.888 20 0 DFADHO CN[C@H](CC(C)(C)C)C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000423721886 296441769 /nfs/dbraw/zinc/44/17/69/296441769.db2.gz CJNBJTRRKNGYTP-LUKYLMHMSA-N 1 3 323.525 2.874 20 0 DFADHO C[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)S1 ZINC000092540363 542548275 /nfs/dbraw/zinc/54/82/75/542548275.db2.gz BZJNHOUJARCTCW-HUUCEWRRSA-N 1 3 308.491 2.953 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCCC[C@@H]1C ZINC000617504805 399720385 /nfs/dbraw/zinc/72/03/85/399720385.db2.gz KTGMDFQHVYWKMR-YESZJQIVSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCCC[C@@H]1C ZINC000617504805 399720391 /nfs/dbraw/zinc/72/03/91/399720391.db2.gz KTGMDFQHVYWKMR-YESZJQIVSA-N 1 3 311.514 2.591 20 0 DFADHO CC(C)CN(C(=O)C[C@H](C)C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC000423764907 296444934 /nfs/dbraw/zinc/44/49/34/296444934.db2.gz UCAOJEUJBROMTF-INIZCTEOSA-N 1 3 323.525 2.591 20 0 DFADHO CN1CC[C@H](C[N@H+](C)Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000120973447 195274224 /nfs/dbraw/zinc/27/42/24/195274224.db2.gz QQEALXJJGYGFTQ-INIZCTEOSA-N 1 3 312.417 2.652 20 0 DFADHO CN1CC[C@H](C[N@@H+](C)Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000120973447 195274227 /nfs/dbraw/zinc/27/42/27/195274227.db2.gz QQEALXJJGYGFTQ-INIZCTEOSA-N 1 3 312.417 2.652 20 0 DFADHO CCN1CCC[C@H]1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000121715200 195334240 /nfs/dbraw/zinc/33/42/40/195334240.db2.gz ZMUGGMRSTMQLGN-FQEVSTJZSA-N 1 3 315.505 2.767 20 0 DFADHO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000348124691 285366038 /nfs/dbraw/zinc/36/60/38/285366038.db2.gz NLFJVMWZJXTCDZ-PKOBYXMFSA-N 1 3 302.462 2.922 20 0 DFADHO COc1ccc(OC)c(CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000124151085 195609654 /nfs/dbraw/zinc/60/96/54/195609654.db2.gz XVIYIOLLBXGYPW-UHFFFAOYSA-N 1 3 306.450 2.868 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cc2c(s1)CCC2 ZINC000128421015 195962988 /nfs/dbraw/zinc/96/29/88/195962988.db2.gz BHBCVXKYHWDMSP-OAHLLOKOSA-N 1 3 321.534 2.915 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294702351 533449851 /nfs/dbraw/zinc/44/98/51/533449851.db2.gz BGKZTINGLANMEP-LNRIEFBSSA-N 1 3 301.434 2.619 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294702351 533449855 /nfs/dbraw/zinc/44/98/55/533449855.db2.gz BGKZTINGLANMEP-LNRIEFBSSA-N 1 3 301.434 2.619 20 0 DFADHO CC[NH+](CC)Cc1ccc(CNC(=O)CN(C)C2CCC2)cc1 ZINC000629944664 399761320 /nfs/dbraw/zinc/76/13/20/399761320.db2.gz SUQONGFHZHVWRP-UHFFFAOYSA-N 1 3 317.477 2.629 20 0 DFADHO CC[C@@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)N(CC)CC ZINC000423972915 296470560 /nfs/dbraw/zinc/47/05/60/296470560.db2.gz PUAHXWGDIXWPFV-SJORKVTESA-N 1 3 305.466 2.703 20 0 DFADHO CC(C)C[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000165921024 542750468 /nfs/dbraw/zinc/75/04/68/542750468.db2.gz JRLYYZSYESRKRV-QGZVFWFLSA-N 1 3 303.450 2.637 20 0 DFADHO COc1ccc(COCCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166467781 542751780 /nfs/dbraw/zinc/75/17/80/542751780.db2.gz FKYCVDLFRFYYNG-ZWKOTPCHSA-N 1 3 318.461 2.818 20 0 DFADHO COc1ccc(COCCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166467781 542751783 /nfs/dbraw/zinc/75/17/83/542751783.db2.gz FKYCVDLFRFYYNG-ZWKOTPCHSA-N 1 3 318.461 2.818 20 0 DFADHO C[NH+](C)CCCOc1ccc(NC(=O)C2(N)CCCCC2)cc1 ZINC000237107901 542900212 /nfs/dbraw/zinc/90/02/12/542900212.db2.gz JZZSOMCPMYYRFC-UHFFFAOYSA-N 1 3 319.449 2.617 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN(C2CC2)C2CCCCC2)CC1 ZINC000603933020 399818755 /nfs/dbraw/zinc/81/87/55/399818755.db2.gz QONOBLMGNFBZFZ-UHFFFAOYSA-N 1 3 321.509 2.773 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424429071 296509290 /nfs/dbraw/zinc/50/92/90/296509290.db2.gz VRGQBDWDGSVTHC-UHFFFAOYSA-N 1 3 318.465 2.793 20 0 DFADHO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339068975 543139625 /nfs/dbraw/zinc/13/96/25/543139625.db2.gz SYAQSHDEZHVDPJ-MSOLQXFVSA-N 1 3 321.509 2.630 20 0 DFADHO CCC(CC)C(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339068975 543139628 /nfs/dbraw/zinc/13/96/28/543139628.db2.gz SYAQSHDEZHVDPJ-MSOLQXFVSA-N 1 3 321.509 2.630 20 0 DFADHO CCC(CC)C(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339068975 543139630 /nfs/dbraw/zinc/13/96/30/543139630.db2.gz SYAQSHDEZHVDPJ-MSOLQXFVSA-N 1 3 321.509 2.630 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000339070215 543139783 /nfs/dbraw/zinc/13/97/83/543139783.db2.gz ZNXRIXXTNGPFSW-FGTMMUONSA-N 1 3 305.441 2.645 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000339070215 543139784 /nfs/dbraw/zinc/13/97/84/543139784.db2.gz ZNXRIXXTNGPFSW-FGTMMUONSA-N 1 3 305.441 2.645 20 0 DFADHO CN(CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000339070030 543140059 /nfs/dbraw/zinc/14/00/59/543140059.db2.gz VTOXNQPJIUBDRA-CVEARBPZSA-N 1 3 305.441 2.868 20 0 DFADHO CN(CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000339070030 543140061 /nfs/dbraw/zinc/14/00/61/543140061.db2.gz VTOXNQPJIUBDRA-CVEARBPZSA-N 1 3 305.441 2.868 20 0 DFADHO C[C@H](CC[N@H+](C)CC[C@@H]1CCCO1)N(C)CC[C@@H]1CCCO1 ZINC000342592230 543163453 /nfs/dbraw/zinc/16/34/53/543163453.db2.gz NWZKLVKQWVQUSR-SQNIBIBYSA-N 1 3 312.498 2.767 20 0 DFADHO C[C@H](CC[N@@H+](C)CC[C@@H]1CCCO1)N(C)CC[C@@H]1CCCO1 ZINC000342592230 543163456 /nfs/dbraw/zinc/16/34/56/543163456.db2.gz NWZKLVKQWVQUSR-SQNIBIBYSA-N 1 3 312.498 2.767 20 0 DFADHO CC(C)[C@@H]1CC[C@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000343945633 543169763 /nfs/dbraw/zinc/16/97/63/543169763.db2.gz WJKMMNPGVQYWMN-DLBZAZTESA-N 1 3 305.466 2.936 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@](C)(CO)Cc2ccccc2)[C@H](C)C1 ZINC000358057142 543265707 /nfs/dbraw/zinc/26/57/07/543265707.db2.gz PFGZRODBBOXSJG-NEWSRXKRSA-N 1 3 304.478 2.548 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@](C)(CO)Cc2ccccc2)[C@H](C)C1 ZINC000358057142 543265710 /nfs/dbraw/zinc/26/57/10/543265710.db2.gz PFGZRODBBOXSJG-NEWSRXKRSA-N 1 3 304.478 2.548 20 0 DFADHO CCCN1CCC([NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000389794622 543305107 /nfs/dbraw/zinc/30/51/07/543305107.db2.gz SOIDRABGOANWHZ-XLIONFOSSA-N 1 3 315.505 2.971 20 0 DFADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000165898373 145232830 /nfs/dbraw/zinc/23/28/30/145232830.db2.gz KGINKHUPNQRKQA-RYQLBKOJSA-N 1 3 317.477 2.531 20 0 DFADHO CC(C)(N)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414797412 543327309 /nfs/dbraw/zinc/32/73/09/543327309.db2.gz CZFUXMXGYCGYLA-UHFFFAOYSA-N 1 3 308.223 2.824 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(F)c(Br)c2)C1 ZINC000414930681 543327757 /nfs/dbraw/zinc/32/77/57/543327757.db2.gz TYINEXYNMQPOSV-GHMZBOCLSA-N 1 3 301.203 2.948 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414928537 543327794 /nfs/dbraw/zinc/32/77/94/543327794.db2.gz QDPWYQYDKRJBGP-XHSDSOJGSA-N 1 3 306.450 2.884 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000414931397 543328192 /nfs/dbraw/zinc/32/81/92/543328192.db2.gz UMQWTCOQCJQNKH-VXGBXAGGSA-N 1 3 306.360 2.714 20 0 DFADHO CC[C@H](N)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414982684 543328269 /nfs/dbraw/zinc/32/82/69/543328269.db2.gz SCPBWNSCXYXLDJ-NSHDSACASA-N 1 3 308.223 2.824 20 0 DFADHO CS[C@H]1CC[C@@H]1[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000425361597 296573219 /nfs/dbraw/zinc/57/32/19/296573219.db2.gz UJMUIYJIRVGGHS-IRXDYDNUSA-N 1 3 308.491 2.653 20 0 DFADHO CC[NH+](CC)C[C@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416163244 543331985 /nfs/dbraw/zinc/33/19/85/543331985.db2.gz XEZIXMDIHOIKQR-DOTOQJQBSA-N 1 3 305.466 2.526 20 0 DFADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1[C@H](C)CC[C@H]1C ZINC000174721243 145388476 /nfs/dbraw/zinc/38/84/76/145388476.db2.gz OAWMSBUWOXVCNZ-XLMAVXFVSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1[C@H](C)CC[C@H]1C ZINC000174721243 145388480 /nfs/dbraw/zinc/38/84/80/145388480.db2.gz OAWMSBUWOXVCNZ-XLMAVXFVSA-N 1 3 321.509 2.628 20 0 DFADHO CC[C@H](C(=O)N1CCC(CC)([NH+]2CCCC2)CC1)N(CC)CC ZINC000633954112 399964930 /nfs/dbraw/zinc/96/49/30/399964930.db2.gz WCJIOZUHIAQJIE-QGZVFWFLSA-N 1 3 323.525 2.974 20 0 DFADHO Cc1cc(C)c(/C=C/C[NH2+]CC2(O)CCN(C)CC2)c(C)c1 ZINC000631077526 399975981 /nfs/dbraw/zinc/97/59/81/399975981.db2.gz GYVVCDOYOWVRAX-AATRIKPKSA-N 1 3 302.462 2.671 20 0 DFADHO C[C@H]1C[C@H](NCc2ccc(=O)[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000631085272 399977542 /nfs/dbraw/zinc/97/75/42/399977542.db2.gz JMSOAOTUDCZKNA-MAUKXSAKSA-N 1 3 311.429 2.930 20 0 DFADHO C[C@H]1C[C@H](NCc2ccc(=O)[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000631085272 399977544 /nfs/dbraw/zinc/97/75/44/399977544.db2.gz JMSOAOTUDCZKNA-MAUKXSAKSA-N 1 3 311.429 2.930 20 0 DFADHO Cc1ccc([C@@H](C)CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000628167604 399995210 /nfs/dbraw/zinc/99/52/10/399995210.db2.gz SSZXABGIRKGKNT-AZUAARDMSA-N 1 3 315.505 2.810 20 0 DFADHO Cc1ccc([C@@H](C)CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000628167604 399995211 /nfs/dbraw/zinc/99/52/11/399995211.db2.gz SSZXABGIRKGKNT-AZUAARDMSA-N 1 3 315.505 2.810 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CC1=CCCOC1 ZINC000631196061 400001530 /nfs/dbraw/zinc/00/15/30/400001530.db2.gz NKDSKDLNRNAYNV-QFBILLFUSA-N 1 3 300.446 2.691 20 0 DFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCC1=CCCOC1 ZINC000631196061 400001531 /nfs/dbraw/zinc/00/15/31/400001531.db2.gz NKDSKDLNRNAYNV-QFBILLFUSA-N 1 3 300.446 2.691 20 0 DFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCC1=CCCOC1 ZINC000631196061 400001533 /nfs/dbraw/zinc/00/15/33/400001533.db2.gz NKDSKDLNRNAYNV-QFBILLFUSA-N 1 3 300.446 2.691 20 0 DFADHO Cc1nc(C)c(CNCCc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000628213356 400002341 /nfs/dbraw/zinc/00/23/41/400002341.db2.gz HVUUBSSLEJAGIS-UHFFFAOYSA-N 1 3 317.433 2.564 20 0 DFADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000628214294 400002901 /nfs/dbraw/zinc/00/29/01/400002901.db2.gz RTEZOWNHYCCMHD-KZNAEPCWSA-N 1 3 307.526 2.961 20 0 DFADHO C[C@H](CCc1c[nH]c2ccccc12)NC[C@@H](O)C[NH+]1CCCC1 ZINC000631572370 400053006 /nfs/dbraw/zinc/05/30/06/400053006.db2.gz QDUHGEKIIUHQON-NVXWUHKLSA-N 1 3 315.461 2.535 20 0 DFADHO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CC1(O)CCN(C)CC1 ZINC000631580584 400054410 /nfs/dbraw/zinc/05/44/10/400054410.db2.gz AZIAQWQTDKIKNU-OAHLLOKOSA-N 1 3 315.461 2.535 20 0 DFADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631601752 400057284 /nfs/dbraw/zinc/05/72/84/400057284.db2.gz VKJGFHHWQLKSBM-XSLAGTTESA-N 1 3 306.494 2.902 20 0 DFADHO COc1ccc2c(c1)CC[C@@H]2NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000631621795 400058947 /nfs/dbraw/zinc/05/89/47/400058947.db2.gz LDTACJZPJURTPT-BEFAXECRSA-N 1 3 318.461 2.773 20 0 DFADHO COc1ccc2c(c1)CC[C@@H]2NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000631621795 400058949 /nfs/dbraw/zinc/05/89/49/400058949.db2.gz LDTACJZPJURTPT-BEFAXECRSA-N 1 3 318.461 2.773 20 0 DFADHO C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000631661720 400063524 /nfs/dbraw/zinc/06/35/24/400063524.db2.gz BWGPIIKVZWELRF-ZHALLVOQSA-N 1 3 324.472 2.765 20 0 DFADHO C[C@H](Cc1cnccn1)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631661720 400063525 /nfs/dbraw/zinc/06/35/25/400063525.db2.gz BWGPIIKVZWELRF-ZHALLVOQSA-N 1 3 324.472 2.765 20 0 DFADHO C[C@H](Cc1cnccn1)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631661720 400063526 /nfs/dbraw/zinc/06/35/26/400063526.db2.gz BWGPIIKVZWELRF-ZHALLVOQSA-N 1 3 324.472 2.765 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000631663342 400063586 /nfs/dbraw/zinc/06/35/86/400063586.db2.gz IOHFEHWIGLHPPR-LMMKCTJWSA-N 1 3 312.461 2.629 20 0 DFADHO C[C@H](Cn1cccn1)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631663342 400063587 /nfs/dbraw/zinc/06/35/87/400063587.db2.gz IOHFEHWIGLHPPR-LMMKCTJWSA-N 1 3 312.461 2.629 20 0 DFADHO C[C@H](Cn1cccn1)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631663342 400063589 /nfs/dbraw/zinc/06/35/89/400063589.db2.gz IOHFEHWIGLHPPR-LMMKCTJWSA-N 1 3 312.461 2.629 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000631668193 400064303 /nfs/dbraw/zinc/06/43/03/400064303.db2.gz WBQILNCIORDPIS-RYRKJORJSA-N 1 3 312.461 2.839 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000631668197 400064332 /nfs/dbraw/zinc/06/43/32/400064332.db2.gz WBQILNCIORDPIS-XYJFISCASA-N 1 3 312.461 2.839 20 0 DFADHO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000631698860 400068126 /nfs/dbraw/zinc/06/81/26/400068126.db2.gz BOMYWLKALCBCPT-FSZRXZPDSA-N 1 3 306.450 2.844 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000631754508 400072624 /nfs/dbraw/zinc/07/26/24/400072624.db2.gz JPULCJVKSKIPGX-REWJHTLYSA-N 1 3 308.388 2.664 20 0 DFADHO CC(C)[C@H]1CN([C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCN1C ZINC000631793440 400075922 /nfs/dbraw/zinc/07/59/22/400075922.db2.gz GZZJVDUXHUFEKR-YSIASYRMSA-N 1 3 315.505 2.921 20 0 DFADHO CC(C)[C@H]1CN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000631793440 400075923 /nfs/dbraw/zinc/07/59/23/400075923.db2.gz GZZJVDUXHUFEKR-YSIASYRMSA-N 1 3 315.505 2.921 20 0 DFADHO C[C@H]1CN(Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000631839824 400078865 /nfs/dbraw/zinc/07/88/65/400078865.db2.gz LKCSOFUDYNYBNN-AAEUAGOBSA-N 1 3 302.340 2.654 20 0 DFADHO C[C@@H]1CN(Cc2ccc(OCc3cccnc3)cc2)C[C@H]1C[NH3+] ZINC000631839374 400079082 /nfs/dbraw/zinc/07/90/82/400079082.db2.gz FRFFGFJNIYDJKX-CRAIPNDOSA-N 1 3 311.429 2.687 20 0 DFADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000219323941 146000641 /nfs/dbraw/zinc/00/06/41/146000641.db2.gz YHIQQHRSRWLKPR-LBPRGKRZSA-N 1 3 302.365 2.517 20 0 DFADHO C[NH+](C)CCOCCNCc1cc(Cl)ccc1OC(F)F ZINC000226744738 146005282 /nfs/dbraw/zinc/00/52/82/146005282.db2.gz HCQLJUDITOCDBW-UHFFFAOYSA-N 1 3 322.783 2.609 20 0 DFADHO C[NH+]1CCC(C)(CNCc2cn3cc(Cl)ccc3n2)CC1 ZINC000227328279 146005556 /nfs/dbraw/zinc/00/55/56/146005556.db2.gz WRTCODIFZHPDFL-UHFFFAOYSA-N 1 3 306.841 2.809 20 0 DFADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(Br)cc1 ZINC000231786816 146016919 /nfs/dbraw/zinc/01/69/19/146016919.db2.gz KZJTYCUDDWQCDS-LBPRGKRZSA-N 1 3 315.255 2.678 20 0 DFADHO O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000250127780 146210794 /nfs/dbraw/zinc/21/07/94/146210794.db2.gz WOBKMHWOVIVDIS-RMMWZPCPSA-N 1 3 314.473 2.790 20 0 DFADHO CN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261539651 146238455 /nfs/dbraw/zinc/23/84/55/146238455.db2.gz CXLNSPIIDSMLBU-RBUKOAKNSA-N 1 3 301.478 2.582 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000261557892 146241477 /nfs/dbraw/zinc/24/14/77/146241477.db2.gz XUNGPLRXHAOUDC-GBESFXJTSA-N 1 3 301.478 2.758 20 0 DFADHO Cc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(-c2ccnn2C)c1 ZINC000261656349 146254848 /nfs/dbraw/zinc/25/48/48/146254848.db2.gz BITWOPBOXHSSNH-SZMVWBNQSA-N 1 3 310.445 2.565 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)Nc2ccc3c(c2F)CCNC3)CC1 ZINC000261682780 146259435 /nfs/dbraw/zinc/25/94/35/146259435.db2.gz HOJSUCJZSILZID-UHFFFAOYSA-N 1 3 319.424 2.530 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000261813574 146281353 /nfs/dbraw/zinc/28/13/53/146281353.db2.gz AEAZWKUWRSAYOG-QLFBSQMISA-N 1 3 321.431 2.771 20 0 DFADHO C[C@@H](c1cccc(C(F)(F)F)c1)N(C)CCN1CC[NH2+]CC1 ZINC000261853290 146288945 /nfs/dbraw/zinc/28/89/45/146288945.db2.gz DVGYVQIRRJSPJQ-ZDUSSCGKSA-N 1 3 315.383 2.603 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000261942516 146307746 /nfs/dbraw/zinc/30/77/46/146307746.db2.gz UZRPMCHJAYKXMF-SFHVURJKSA-N 1 3 321.509 2.619 20 0 DFADHO c1ccc(CCOC2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000262006566 146321476 /nfs/dbraw/zinc/32/14/76/146321476.db2.gz URWLDNAZAXJFGD-SFHVURJKSA-N 1 3 302.462 2.710 20 0 DFADHO c1ccc(CCOC2CC[NH+](C[C@H]3CCCNC3)CC2)cc1 ZINC000262006566 146321477 /nfs/dbraw/zinc/32/14/77/146321477.db2.gz URWLDNAZAXJFGD-SFHVURJKSA-N 1 3 302.462 2.710 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000262047993 146327704 /nfs/dbraw/zinc/32/77/04/146327704.db2.gz ZHCPUGKZJSZXEE-QWHCGFSZSA-N 1 3 304.463 2.708 20 0 DFADHO Cc1ncc(CN2CCC3(C2)CC[NH2+]CC3)n1-c1ccccc1 ZINC000262060547 146328381 /nfs/dbraw/zinc/32/83/81/146328381.db2.gz RCKLCDJDMXRLQH-UHFFFAOYSA-N 1 3 310.445 2.756 20 0 DFADHO CC(C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)C(F)(F)F ZINC000262054962 146328934 /nfs/dbraw/zinc/32/89/34/146328934.db2.gz NDTDCFIDPNHMIH-ZETCQYMHSA-N 1 3 307.341 2.747 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000262101979 146333102 /nfs/dbraw/zinc/33/31/02/146333102.db2.gz VROZUGDFFWCRGV-HKUYNNGSSA-N 1 3 301.478 2.582 20 0 DFADHO CCOc1ccccc1OCCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262305292 146350379 /nfs/dbraw/zinc/35/03/79/146350379.db2.gz OZXWFJQVSKTYQQ-JYJNAYRXSA-N 1 3 304.434 2.523 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](c1ccccc1)N1CCCC1 ZINC000262351911 146353725 /nfs/dbraw/zinc/35/37/25/146353725.db2.gz VIDXLGRZHRZKSM-GBESFXJTSA-N 1 3 301.478 2.931 20 0 DFADHO CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000262703671 146383002 /nfs/dbraw/zinc/38/30/02/146383002.db2.gz KOSNFTUGWHRSKD-GDBMZVCRSA-N 1 3 311.495 2.765 20 0 DFADHO CCC[C@](C)(N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000262710872 146383878 /nfs/dbraw/zinc/38/38/78/146383878.db2.gz QLDJYTXYFFMQJZ-NUJGCVRESA-N 1 3 309.498 2.617 20 0 DFADHO CCC[C@](C)(N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000262710872 146383880 /nfs/dbraw/zinc/38/38/80/146383880.db2.gz QLDJYTXYFFMQJZ-NUJGCVRESA-N 1 3 309.498 2.617 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H](C)N2CCCCC2)[C@@H]1C ZINC000354670031 147111098 /nfs/dbraw/zinc/11/10/98/147111098.db2.gz URZLNHXLRPYFDX-YVSFHVDLSA-N 1 3 310.482 2.818 20 0 DFADHO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](N(C)C[C@@H]3CC[C@H](C)O3)CC2)O1 ZINC000354673010 147112464 /nfs/dbraw/zinc/11/24/64/147112464.db2.gz NCWOVLSIHJWUCV-XCDZQEORSA-N 1 3 324.509 2.908 20 0 DFADHO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](N(C)C[C@@H]3CC[C@H](C)O3)CC2)O1 ZINC000354673010 147112467 /nfs/dbraw/zinc/11/24/67/147112467.db2.gz NCWOVLSIHJWUCV-XCDZQEORSA-N 1 3 324.509 2.908 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nc(C)oc2C)[C@@H](C)C1 ZINC000357780504 148119413 /nfs/dbraw/zinc/11/94/13/148119413.db2.gz WJPWMTQJDJQLPW-YOEHRIQHSA-N 1 3 323.481 2.561 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCc2nc(C)oc2C)[C@@H](C)C1 ZINC000357780504 148119418 /nfs/dbraw/zinc/11/94/18/148119418.db2.gz WJPWMTQJDJQLPW-YOEHRIQHSA-N 1 3 323.481 2.561 20 0 DFADHO CC[C@H](N[C@H]1CC[N@H+](C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000358012206 148210149 /nfs/dbraw/zinc/21/01/49/148210149.db2.gz HDARLASBVKAQJM-KBMXLJTQSA-N 1 3 304.434 2.839 20 0 DFADHO CC[C@H](N[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000358012206 148210153 /nfs/dbraw/zinc/21/01/53/148210153.db2.gz HDARLASBVKAQJM-KBMXLJTQSA-N 1 3 304.434 2.839 20 0 DFADHO c1c(CN[C@@H]2C[C@@H]2Cc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425904474 296603851 /nfs/dbraw/zinc/60/38/51/296603851.db2.gz YSJFJCOLYNMNBY-FUHWJXTLSA-N 1 3 311.429 2.862 20 0 DFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000358133769 148255831 /nfs/dbraw/zinc/25/58/31/148255831.db2.gz QRMRJJNTLJPRNV-KXBFYZLASA-N 1 3 323.440 2.711 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000638211833 543498218 /nfs/dbraw/zinc/49/82/18/543498218.db2.gz VISCDJNGWKHCSJ-CYBMUJFWSA-N 1 3 317.355 2.866 20 0 DFADHO COc1ccc([C@H](C)NC[C@@]2(O)CC[N@H+](C)C2)c2ccccc12 ZINC000358249673 148303189 /nfs/dbraw/zinc/30/31/89/148303189.db2.gz KTXZSEIKOKBUSR-LIRRHRJNSA-N 1 3 314.429 2.566 20 0 DFADHO COc1ccc([C@H](C)NC[C@@]2(O)CC[N@@H+](C)C2)c2ccccc12 ZINC000358249673 148303192 /nfs/dbraw/zinc/30/31/92/148303192.db2.gz KTXZSEIKOKBUSR-LIRRHRJNSA-N 1 3 314.429 2.566 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)CC2)ccn1 ZINC000297320337 296604962 /nfs/dbraw/zinc/60/49/62/296604962.db2.gz CFUYKNRXOHUPHW-KSZLIROESA-N 1 3 301.434 2.598 20 0 DFADHO CCCN(C)CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000358562124 148386859 /nfs/dbraw/zinc/38/68/59/148386859.db2.gz NYGOKMIKVBRFCP-UHFFFAOYSA-N 1 3 317.477 2.631 20 0 DFADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)F ZINC000358573117 148389272 /nfs/dbraw/zinc/38/92/72/148389272.db2.gz QSQPFBMBAVODFK-MWDXBVQZSA-N 1 3 324.415 2.503 20 0 DFADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)F ZINC000358573117 148389276 /nfs/dbraw/zinc/38/92/76/148389276.db2.gz QSQPFBMBAVODFK-MWDXBVQZSA-N 1 3 324.415 2.503 20 0 DFADHO O[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(F)F ZINC000358573117 148389279 /nfs/dbraw/zinc/38/92/79/148389279.db2.gz QSQPFBMBAVODFK-MWDXBVQZSA-N 1 3 324.415 2.503 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccccc1CCN(C)C ZINC000350595189 286061183 /nfs/dbraw/zinc/06/11/83/286061183.db2.gz DLONDVDOIVISEP-HNNXBMFYSA-N 1 3 320.481 2.641 20 0 DFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccccc1CCN(C)C ZINC000350595189 286061185 /nfs/dbraw/zinc/06/11/85/286061185.db2.gz DLONDVDOIVISEP-HNNXBMFYSA-N 1 3 320.481 2.641 20 0 DFADHO COc1ccc(F)cc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000360964245 148988672 /nfs/dbraw/zinc/98/86/72/148988672.db2.gz OQUPNOJOPNJXGK-GJZGRUSLSA-N 1 3 324.440 2.813 20 0 DFADHO CC(C)[NH+]1CCC(Nc2cccc(CN3CC[C@@H](O)C3)c2)CC1 ZINC000361044168 149016852 /nfs/dbraw/zinc/01/68/52/149016852.db2.gz KJVRIRKDSYUIMH-LJQANCHMSA-N 1 3 317.477 2.538 20 0 DFADHO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(OCCN(C)C)cc1 ZINC000361387222 149102601 /nfs/dbraw/zinc/10/26/01/149102601.db2.gz USIGQLNVMIJXEM-QAPCUYQASA-N 1 3 306.450 2.704 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN1C ZINC000361494978 149130560 /nfs/dbraw/zinc/13/05/60/149130560.db2.gz BBEJFIAZDSNKBA-NUJGCVRESA-N 1 3 321.509 2.582 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN1C ZINC000361494978 149130563 /nfs/dbraw/zinc/13/05/63/149130563.db2.gz BBEJFIAZDSNKBA-NUJGCVRESA-N 1 3 321.509 2.582 20 0 DFADHO Cc1cccc(NC2CCN(CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000361769097 149214655 /nfs/dbraw/zinc/21/46/55/149214655.db2.gz RZWKBIQEOFHYME-KRWDZBQOSA-N 1 3 302.466 2.751 20 0 DFADHO Cc1cccc(NC2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000361769097 149214658 /nfs/dbraw/zinc/21/46/58/149214658.db2.gz RZWKBIQEOFHYME-KRWDZBQOSA-N 1 3 302.466 2.751 20 0 DFADHO Cc1cccc(NC2CC[NH+](CC[C@@H]3CCCN3C)CC2)n1 ZINC000361769097 149214659 /nfs/dbraw/zinc/21/46/59/149214659.db2.gz RZWKBIQEOFHYME-KRWDZBQOSA-N 1 3 302.466 2.751 20 0 DFADHO C[C@@H](CNC(=O)c1ccccc1CN(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000362563539 149309809 /nfs/dbraw/zinc/30/98/09/149309809.db2.gz AAWGOWOADISEQY-HOTGVXAUSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@@H](CNC(=O)c1ccccc1CN(C)C)[N@H+]1CCCC[C@@H]1C ZINC000362563539 149309811 /nfs/dbraw/zinc/30/98/11/149309811.db2.gz AAWGOWOADISEQY-HOTGVXAUSA-N 1 3 317.477 2.741 20 0 DFADHO CCCC[C@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000362585243 149315592 /nfs/dbraw/zinc/31/55/92/149315592.db2.gz CHBKOEWLAHRCBN-LBPRGKRZSA-N 1 3 303.328 2.620 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(CCOc3ccccc3C(F)(F)F)C[C@@H]12 ZINC000351475822 286129406 /nfs/dbraw/zinc/12/94/06/286129406.db2.gz JKIQXZDGTSQEQN-OUCADQQQSA-N 1 3 314.351 2.753 20 0 DFADHO C[N@H+](C[C@H](O)CN1CC[C@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538083 286147044 /nfs/dbraw/zinc/14/70/44/286147044.db2.gz QUQLYGDKESMQFU-PMACEKPBSA-N 1 3 316.489 2.786 20 0 DFADHO C[N@@H+](C[C@H](O)CN1CC[C@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538083 286147046 /nfs/dbraw/zinc/14/70/46/286147046.db2.gz QUQLYGDKESMQFU-PMACEKPBSA-N 1 3 316.489 2.786 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H]3CCCCCC[C@@H]32)CC1 ZINC000371208181 150003816 /nfs/dbraw/zinc/00/38/16/150003816.db2.gz HBIKFXLIKFTZQE-AEFFLSMTSA-N 1 3 321.509 2.630 20 0 DFADHO Cc1noc(C)c1CN1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371329343 150024581 /nfs/dbraw/zinc/02/45/81/150024581.db2.gz HNMCJAONIVTMPU-OAHLLOKOSA-N 1 3 303.450 2.988 20 0 DFADHO Cc1noc(C)c1CN1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000371329343 150024583 /nfs/dbraw/zinc/02/45/83/150024583.db2.gz HNMCJAONIVTMPU-OAHLLOKOSA-N 1 3 303.450 2.988 20 0 DFADHO Cc1ccc(N2CCCN(CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000371337451 150026786 /nfs/dbraw/zinc/02/67/86/150026786.db2.gz WWTDPOKLYJOJTN-GOSISDBHSA-N 1 3 301.478 2.991 20 0 DFADHO Cc1ccc(N2CCCN(CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000371337451 150026788 /nfs/dbraw/zinc/02/67/88/150026788.db2.gz WWTDPOKLYJOJTN-GOSISDBHSA-N 1 3 301.478 2.991 20 0 DFADHO Cc1ccc(N2CCC[N@@H+](CC[C@H]3CCCN3C)CC2)cc1 ZINC000371337451 150026789 /nfs/dbraw/zinc/02/67/89/150026789.db2.gz WWTDPOKLYJOJTN-GOSISDBHSA-N 1 3 301.478 2.991 20 0 DFADHO Cc1ccc(N2CCC[N@H+](CC[C@H]3CCCN3C)CC2)cc1 ZINC000371337451 150026791 /nfs/dbraw/zinc/02/67/91/150026791.db2.gz WWTDPOKLYJOJTN-GOSISDBHSA-N 1 3 301.478 2.991 20 0 DFADHO Cc1cc(F)ccc1CN1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000371689813 150080978 /nfs/dbraw/zinc/08/09/78/150080978.db2.gz SIUZKKBMXLUULU-QGZVFWFLSA-N 1 3 319.468 2.594 20 0 DFADHO CN1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@H]1c1cccs1 ZINC000373182836 150243040 /nfs/dbraw/zinc/24/30/40/150243040.db2.gz MCRXJVCJYDYLGO-XNRPARBSSA-N 1 3 319.518 2.956 20 0 DFADHO COc1cc(CN2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)ccn1 ZINC000374298728 150339915 /nfs/dbraw/zinc/33/99/15/150339915.db2.gz WHYDJEVQGLATPL-MRXNPFEDSA-N 1 3 315.461 2.787 20 0 DFADHO COc1cc(CN2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)ccn1 ZINC000374298728 150339918 /nfs/dbraw/zinc/33/99/18/150339918.db2.gz WHYDJEVQGLATPL-MRXNPFEDSA-N 1 3 315.461 2.787 20 0 DFADHO Cc1ccc(C)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000374431188 150366615 /nfs/dbraw/zinc/36/66/15/150366615.db2.gz WKVUNZDEUYDTTR-GBESFXJTSA-N 1 3 302.462 2.987 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2cccc3ccccc32)C1 ZINC000351857423 286233309 /nfs/dbraw/zinc/23/33/09/286233309.db2.gz BEWOVQZKKAOYKV-GDBMZVCRSA-N 1 3 311.429 2.838 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000352156354 286307344 /nfs/dbraw/zinc/30/73/44/286307344.db2.gz JIZGCWPWYQQXQQ-HZPDHXFCSA-N 1 3 311.514 2.780 20 0 DFADHO C[C@H](CNCc1ccccc1-c1ccnn1C)C[NH+]1CCCC1 ZINC000352158548 286308076 /nfs/dbraw/zinc/30/80/76/286308076.db2.gz KRHLMQIMTZHXMY-MRXNPFEDSA-N 1 3 312.461 2.909 20 0 DFADHO C[C@H](C[NH2+]Cc1ccccc1-c1ccnn1C)CN1CCCC1 ZINC000352158548 286308079 /nfs/dbraw/zinc/30/80/79/286308079.db2.gz KRHLMQIMTZHXMY-MRXNPFEDSA-N 1 3 312.461 2.909 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000352172849 286311687 /nfs/dbraw/zinc/31/16/87/286311687.db2.gz XJXCLTSOODJVJO-QZTJIDSGSA-N 1 3 319.493 2.881 20 0 DFADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)NCc1ccccc1Cl ZINC000352504071 286391227 /nfs/dbraw/zinc/39/12/27/286391227.db2.gz MWWGYLJNOXSCTE-HNNXBMFYSA-N 1 3 323.868 2.550 20 0 DFADHO NCC[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000352504071 286391228 /nfs/dbraw/zinc/39/12/28/286391228.db2.gz MWWGYLJNOXSCTE-HNNXBMFYSA-N 1 3 323.868 2.550 20 0 DFADHO NCC[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000352504071 286391230 /nfs/dbraw/zinc/39/12/30/286391230.db2.gz MWWGYLJNOXSCTE-HNNXBMFYSA-N 1 3 323.868 2.550 20 0 DFADHO CSC1(CNCc2ccc(-c3cc[nH]n3)o2)CC[NH+](C)CC1 ZINC000353193089 286575742 /nfs/dbraw/zinc/57/57/42/286575742.db2.gz RBZBDQITICJFAC-UHFFFAOYSA-N 1 3 320.462 2.587 20 0 DFADHO C[C@H](NCCOC(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000353242756 286588988 /nfs/dbraw/zinc/58/89/88/286588988.db2.gz JGQNOPATWHTUAP-LBPRGKRZSA-N 1 3 320.355 2.814 20 0 DFADHO CCN(CC)C(=O)CCC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000182552142 158005178 /nfs/dbraw/zinc/00/51/78/158005178.db2.gz XJYIXPKEFRLFJQ-SFHVURJKSA-N 1 3 323.525 2.831 20 0 DFADHO CCN(CC)C(=O)CCC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000182552142 158005181 /nfs/dbraw/zinc/00/51/81/158005181.db2.gz XJYIXPKEFRLFJQ-SFHVURJKSA-N 1 3 323.525 2.831 20 0 DFADHO CC(C)O[C@@H]1C[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1(C)C ZINC000185227682 158048736 /nfs/dbraw/zinc/04/87/36/158048736.db2.gz ZMORAMHFOUEOQC-RYQLBKOJSA-N 1 3 324.509 2.669 20 0 DFADHO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1cccc(OCCN(C)C)c1 ZINC000353489793 286661712 /nfs/dbraw/zinc/66/17/12/286661712.db2.gz JYRZATCEKPUJGW-HNAYVOBHSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccncc1 ZINC000246276252 158084679 /nfs/dbraw/zinc/08/46/79/158084679.db2.gz BCQMAWOLGGFCJC-BMGDILEWSA-N 1 3 303.450 2.500 20 0 DFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246816152 158100800 /nfs/dbraw/zinc/10/08/00/158100800.db2.gz IYHIOMJFVVDPIR-HZPDHXFCSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000246816152 158100802 /nfs/dbraw/zinc/10/08/02/158100802.db2.gz IYHIOMJFVVDPIR-HZPDHXFCSA-N 1 3 317.477 2.598 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@@H](C)C1 ZINC000247068771 158118224 /nfs/dbraw/zinc/11/82/24/158118224.db2.gz QAJDRPQYVZXXAB-WMLDXEAASA-N 1 3 303.450 2.690 20 0 DFADHO CCN1CC[C@@H]([NH2+]CCN(C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247253658 158125069 /nfs/dbraw/zinc/12/50/69/158125069.db2.gz YMSTYUPICRGILS-MAUKXSAKSA-N 1 3 307.457 2.577 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCN(C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247253658 158125071 /nfs/dbraw/zinc/12/50/71/158125071.db2.gz YMSTYUPICRGILS-MAUKXSAKSA-N 1 3 307.457 2.577 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCN(C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247253658 158125073 /nfs/dbraw/zinc/12/50/73/158125073.db2.gz YMSTYUPICRGILS-MAUKXSAKSA-N 1 3 307.457 2.577 20 0 DFADHO CCOc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)ccc1OC ZINC000247953220 158153204 /nfs/dbraw/zinc/15/32/04/158153204.db2.gz FGICBCFJOOMQPK-IIAWOOMASA-N 1 3 306.450 2.912 20 0 DFADHO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000247944573 158153632 /nfs/dbraw/zinc/15/36/32/158153632.db2.gz DKPBXZSLYSOBQP-DAYGRLMNSA-N 1 3 308.466 2.685 20 0 DFADHO CC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248417947 158173548 /nfs/dbraw/zinc/17/35/48/158173548.db2.gz RTVHIXHQPCSCDJ-HCXYKTFWSA-N 1 3 302.462 2.648 20 0 DFADHO COC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000248418025 158174652 /nfs/dbraw/zinc/17/46/52/158174652.db2.gz SAEUNOXVGQXAMS-WTGUMLROSA-N 1 3 314.473 2.912 20 0 DFADHO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248583121 158185943 /nfs/dbraw/zinc/18/59/43/158185943.db2.gz WOBKMHWOVIVDIS-CENDIDJXSA-N 1 3 314.473 2.790 20 0 DFADHO C[C@H](C1CCC1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000355067701 158265449 /nfs/dbraw/zinc/26/54/49/158265449.db2.gz YBHHTWDDCLYDAF-CRAIPNDOSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@H](C1CCC1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000355067701 158265450 /nfs/dbraw/zinc/26/54/50/158265450.db2.gz YBHHTWDDCLYDAF-CRAIPNDOSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@H](CO)CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000356903799 158320289 /nfs/dbraw/zinc/32/02/89/158320289.db2.gz SONKGLHPQQFVMW-FRYIKTPZSA-N 1 3 316.489 2.895 20 0 DFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CC1(O)CCCC1 ZINC000357008363 158346089 /nfs/dbraw/zinc/34/60/89/158346089.db2.gz FUUNZJUBSPAWOW-UHFFFAOYSA-N 1 3 317.477 2.925 20 0 DFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CC1(O)CCCC1 ZINC000357008363 158346094 /nfs/dbraw/zinc/34/60/94/158346094.db2.gz FUUNZJUBSPAWOW-UHFFFAOYSA-N 1 3 317.477 2.925 20 0 DFADHO COc1ccc(OC)c(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357039908 158354993 /nfs/dbraw/zinc/35/49/93/158354993.db2.gz BHUYQEZENCFPIF-OAHLLOKOSA-N 1 3 304.434 2.525 20 0 DFADHO COCCOc1cccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357054502 158358174 /nfs/dbraw/zinc/35/81/74/158358174.db2.gz QFESZGKWXIYHHN-SFHVURJKSA-N 1 3 318.461 2.533 20 0 DFADHO COCCCOc1cccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358343433 158370763 /nfs/dbraw/zinc/37/07/63/158370763.db2.gz HVPFQBWEKOSUAF-CRAIPNDOSA-N 1 3 306.450 2.532 20 0 DFADHO COCCCOc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358343433 158370767 /nfs/dbraw/zinc/37/07/67/158370767.db2.gz HVPFQBWEKOSUAF-CRAIPNDOSA-N 1 3 306.450 2.532 20 0 DFADHO CC(C)(C)N1CCC([NH2+]CCc2c[nH]c3ncccc23)CC1 ZINC000358343131 158371342 /nfs/dbraw/zinc/37/13/42/158371342.db2.gz RLXAJHMDMYDLQI-UHFFFAOYSA-N 1 3 300.450 2.958 20 0 DFADHO CC(C)(C)[NH+]1CCC(NCCc2c[nH]c3ncccc23)CC1 ZINC000358343131 158371344 /nfs/dbraw/zinc/37/13/44/158371344.db2.gz RLXAJHMDMYDLQI-UHFFFAOYSA-N 1 3 300.450 2.958 20 0 DFADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000430636627 296801582 /nfs/dbraw/zinc/80/15/82/296801582.db2.gz YYFXQKQXBNUGBE-CHWSQXEVSA-N 1 3 323.868 2.576 20 0 DFADHO CCN(C(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000431034850 296818682 /nfs/dbraw/zinc/81/86/82/296818682.db2.gz PBIPMXKPGVJXJE-MRXNPFEDSA-N 1 3 315.461 2.504 20 0 DFADHO CC(C)C[C@H](CN(C)C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431852196 296853067 /nfs/dbraw/zinc/85/30/67/296853067.db2.gz VHUQFBILYKHGBM-MSOLQXFVSA-N 1 3 319.493 2.772 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000129016512 196012288 /nfs/dbraw/zinc/01/22/88/196012288.db2.gz UPTUBLZILRVHAD-ATNYBXOESA-N 1 3 306.450 2.781 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000129016512 196012289 /nfs/dbraw/zinc/01/22/89/196012289.db2.gz UPTUBLZILRVHAD-ATNYBXOESA-N 1 3 306.450 2.781 20 0 DFADHO C[C@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)CN1CCCCC1 ZINC000054041307 425889013 /nfs/dbraw/zinc/88/90/13/425889013.db2.gz OJGNOHZBJHAEIJ-OAHLLOKOSA-N 1 3 313.449 2.683 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCn2ccnc2)CC1 ZINC000131735338 196195264 /nfs/dbraw/zinc/19/52/64/196195264.db2.gz HVQZDHCHKVDBNC-QGZVFWFLSA-N 1 3 304.482 2.860 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCn2ccnc2)CC1 ZINC000131735338 196195266 /nfs/dbraw/zinc/19/52/66/196195266.db2.gz HVQZDHCHKVDBNC-QGZVFWFLSA-N 1 3 304.482 2.860 20 0 DFADHO COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc(OC)c1 ZINC000131777159 196198588 /nfs/dbraw/zinc/19/85/88/196198588.db2.gz UTFGQTFWFPFEEZ-MQVJKMGUSA-N 1 3 304.434 2.809 20 0 DFADHO CCN1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977252 196301126 /nfs/dbraw/zinc/30/11/26/196301126.db2.gz NZHWDEOMENFHDE-BWPNAZKDSA-N 1 3 315.505 2.969 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977252 196301128 /nfs/dbraw/zinc/30/11/28/196301128.db2.gz NZHWDEOMENFHDE-BWPNAZKDSA-N 1 3 315.505 2.969 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977252 196301130 /nfs/dbraw/zinc/30/11/30/196301130.db2.gz NZHWDEOMENFHDE-BWPNAZKDSA-N 1 3 315.505 2.969 20 0 DFADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667834679 543688912 /nfs/dbraw/zinc/68/89/12/543688912.db2.gz ZMLCSQOSYKKVGJ-HKUYNNGSSA-N 1 3 318.461 2.674 20 0 DFADHO CN(C)C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000667852545 543692641 /nfs/dbraw/zinc/69/26/41/543692641.db2.gz NHSVBQYRRMBVEU-SFHVURJKSA-N 1 3 324.428 2.714 20 0 DFADHO [NH3+]Cc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000667732583 543669333 /nfs/dbraw/zinc/66/93/33/543669333.db2.gz OCOBLTQXCWCOSE-GOSISDBHSA-N 1 3 324.428 2.541 20 0 DFADHO C[C@@H](CCNC(=O)Nc1cccc(CN)c1)[NH+]1CCCCC1 ZINC000667736553 543670269 /nfs/dbraw/zinc/67/02/69/543670269.db2.gz IFXIJKALQQCBAE-AWEZNQCLSA-N 1 3 304.438 2.531 20 0 DFADHO Cn1ncc(C2CCC2)c1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000668169063 543757842 /nfs/dbraw/zinc/75/78/42/543757842.db2.gz HVBCMARKCLKWDZ-QGZVFWFLSA-N 1 3 316.493 2.851 20 0 DFADHO CC(C)(C)N1CC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668432822 543805636 /nfs/dbraw/zinc/80/56/36/543805636.db2.gz YOQCMDPMMPWHIX-QGZVFWFLSA-N 1 3 302.466 2.513 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1(C)C ZINC000669618826 543976349 /nfs/dbraw/zinc/97/63/49/543976349.db2.gz BHFCBGOJBFZTHL-QGZVFWFLSA-N 1 3 323.431 2.568 20 0 DFADHO CCC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)[C@H]1CC1(C)C ZINC000669418983 543943580 /nfs/dbraw/zinc/94/35/80/543943580.db2.gz PNAUDHHMXYSPFB-NXHRZFHOSA-N 1 3 307.526 2.959 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000671312879 544067228 /nfs/dbraw/zinc/06/72/28/544067228.db2.gz XZJFHMYJNLLKAW-IBGZPJMESA-N 1 3 318.461 2.630 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000671312879 544067230 /nfs/dbraw/zinc/06/72/30/544067230.db2.gz XZJFHMYJNLLKAW-IBGZPJMESA-N 1 3 318.461 2.630 20 0 DFADHO C[C@@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCC[C@H]1O ZINC000297322967 227008715 /nfs/dbraw/zinc/00/87/15/227008715.db2.gz CKQGJRRFLNAALX-MSOLQXFVSA-N 1 3 303.450 2.581 20 0 DFADHO C[NH+](C)[C@@H]1CCCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000297364879 227070708 /nfs/dbraw/zinc/07/07/08/227070708.db2.gz GBLCUMWIIFHJSO-RTBURBONSA-N 1 3 301.478 2.677 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000673716205 544193519 /nfs/dbraw/zinc/19/35/19/544193519.db2.gz SCNQIQBNJGUHES-QFBILLFUSA-N 1 3 320.477 2.874 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000673716205 544193520 /nfs/dbraw/zinc/19/35/20/544193520.db2.gz SCNQIQBNJGUHES-QFBILLFUSA-N 1 3 320.477 2.874 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cccc(N(C)C)c2)C1 ZINC000673757102 544196410 /nfs/dbraw/zinc/19/64/10/544196410.db2.gz MISYAAXSDOECJT-IBGZPJMESA-N 1 3 319.493 2.685 20 0 DFADHO CN(C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291259347 222264480 /nfs/dbraw/zinc/26/44/80/222264480.db2.gz WTZXQRDOOPXXGV-WFASDCNBSA-N 1 3 316.367 2.622 20 0 DFADHO CN(C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291259347 222264484 /nfs/dbraw/zinc/26/44/84/222264484.db2.gz WTZXQRDOOPXXGV-WFASDCNBSA-N 1 3 316.367 2.622 20 0 DFADHO Cn1cncc1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291403985 222369987 /nfs/dbraw/zinc/36/99/87/222369987.db2.gz FJVYRAGXHHSYRG-UHFFFAOYSA-N 1 3 324.472 2.908 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)C1CCCC1 ZINC000674087753 544219103 /nfs/dbraw/zinc/21/91/03/544219103.db2.gz AIUKIBXDWMCJSM-WMZOPIPTSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)C1CCCC1 ZINC000674087753 544219105 /nfs/dbraw/zinc/21/91/05/544219105.db2.gz AIUKIBXDWMCJSM-WMZOPIPTSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCN2CCCc3ccccc32)[C@H](C)C1 ZINC000675783279 544336039 /nfs/dbraw/zinc/33/60/39/544336039.db2.gz FPQXJAIKCJIYSW-SJLPKXTDSA-N 1 3 301.478 2.759 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCN2CCCc3ccccc32)[C@H](C)C1 ZINC000675783279 544336041 /nfs/dbraw/zinc/33/60/41/544336041.db2.gz FPQXJAIKCJIYSW-SJLPKXTDSA-N 1 3 301.478 2.759 20 0 DFADHO CCC[NH+]1CCC(NCCN2CCCc3ccccc32)CC1 ZINC000675784190 544336251 /nfs/dbraw/zinc/33/62/51/544336251.db2.gz VRNFBJOQMMCCAZ-UHFFFAOYSA-N 1 3 301.478 2.903 20 0 DFADHO CCC[NH+]1CCC(NC[C@H](C)N2CCc3ccccc32)CC1 ZINC000675776670 544335381 /nfs/dbraw/zinc/33/53/81/544335381.db2.gz VMTMKFCPFRWKNX-INIZCTEOSA-N 1 3 301.478 2.902 20 0 DFADHO CC[C@H](Cc1cccs1)[NH2+]CCCN1CCCN(C)CC1 ZINC000675821686 544338992 /nfs/dbraw/zinc/33/89/92/544338992.db2.gz LOPANYMUHPKYID-MRXNPFEDSA-N 1 3 309.523 2.686 20 0 DFADHO Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000675869804 544340981 /nfs/dbraw/zinc/34/09/81/544340981.db2.gz AVFJSEVTWAPKJA-OXJNMPFZSA-N 1 3 313.489 2.740 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+]C3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000675871244 544341283 /nfs/dbraw/zinc/34/12/83/544341283.db2.gz JRJWDYNWSYFUCT-RJFAQORQSA-N 1 3 317.521 2.569 20 0 DFADHO CCC[NH+]1CCC(NCCc2ccn(-c3ccccc3)n2)CC1 ZINC000675800515 544337377 /nfs/dbraw/zinc/33/73/77/544337377.db2.gz RLSYBUBVGXBIAJ-UHFFFAOYSA-N 1 3 312.461 2.879 20 0 DFADHO C[C@@H]1C[C@@H](N[C@H](Cc2nccn2C)c2ccccc2)CC[N@@H+]1C ZINC000675920405 544344328 /nfs/dbraw/zinc/34/43/28/544344328.db2.gz KHGDRDNNNFCQQN-BPQIPLTHSA-N 1 3 312.461 2.776 20 0 DFADHO C[C@@H]1C[C@@H](N[C@H](Cc2nccn2C)c2ccccc2)CC[N@H+]1C ZINC000675920405 544344329 /nfs/dbraw/zinc/34/43/29/544344329.db2.gz KHGDRDNNNFCQQN-BPQIPLTHSA-N 1 3 312.461 2.776 20 0 DFADHO CC[NH+]1CCC(N[C@H](Cc2nccn2C)c2ccccc2)CC1 ZINC000675921534 544344503 /nfs/dbraw/zinc/34/45/03/544344503.db2.gz YHINUXKVTHQENM-GOSISDBHSA-N 1 3 312.461 2.778 20 0 DFADHO Cc1ccc(C)c([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000442879571 297209196 /nfs/dbraw/zinc/20/91/96/297209196.db2.gz WVLHDXKROQHVMJ-KRWDZBQOSA-N 1 3 303.494 2.980 20 0 DFADHO COc1ccccc1OCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677242385 544458056 /nfs/dbraw/zinc/45/80/56/544458056.db2.gz ZMNZEIIKKAAOJE-JKSUJKDBSA-N 1 3 304.434 2.681 20 0 DFADHO COc1ccccc1OCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677242385 544458059 /nfs/dbraw/zinc/45/80/59/544458059.db2.gz ZMNZEIIKKAAOJE-JKSUJKDBSA-N 1 3 304.434 2.681 20 0 DFADHO [NH3+]CC[C@H]1CCCN(Cc2cnc(-c3ccccn3)s2)C1 ZINC000442917040 297211115 /nfs/dbraw/zinc/21/11/15/297211115.db2.gz BPCCCRJKBDRCCU-CYBMUJFWSA-N 1 3 302.447 2.766 20 0 DFADHO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3cn[nH]c3C2)CN1Cc1ccccc1 ZINC000677749628 544536274 /nfs/dbraw/zinc/53/62/74/544536274.db2.gz LUQJSVKBQAQCKG-QZTJIDSGSA-N 1 3 324.472 2.910 20 0 DFADHO C[C@@H](CCN(C)C)[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000677804315 544543910 /nfs/dbraw/zinc/54/39/10/544543910.db2.gz FBHQKDFGUGHOAP-WMZOPIPTSA-N 1 3 303.494 2.969 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+]C[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000678074872 544594521 /nfs/dbraw/zinc/59/45/21/544594521.db2.gz UAJVCSAMOWHPOQ-HBFSDRIKSA-N 1 3 313.489 2.548 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000678072982 544594721 /nfs/dbraw/zinc/59/47/21/544594721.db2.gz HFHUKJQLIOKHSE-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CCC[C@@H](N2CC[NH+](C[C@@H]3CCCC(C)(C)C3)CC2)C1 ZINC000678259011 544635155 /nfs/dbraw/zinc/63/51/55/544635155.db2.gz VRCNWWVKPMDVIC-QZTJIDSGSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000678766391 544717083 /nfs/dbraw/zinc/71/70/83/544717083.db2.gz KEURWASJSHSTQA-UZLBHIALSA-N 1 3 315.505 2.926 20 0 DFADHO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000678768614 544718384 /nfs/dbraw/zinc/71/83/84/544718384.db2.gz DHOPXEIFLXJQQV-XLIONFOSSA-N 1 3 315.505 2.927 20 0 DFADHO CCSc1ccccc1[C@H](C)NC1CC[NH+](CCO)CC1 ZINC000679037513 544772680 /nfs/dbraw/zinc/77/26/80/544772680.db2.gz UZBMTMKWEXYZQK-AWEZNQCLSA-N 1 3 308.491 2.906 20 0 DFADHO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000679075296 544779697 /nfs/dbraw/zinc/77/96/97/544779697.db2.gz IIGAJHWFYFHXSX-TXPKVOOTSA-N 1 3 319.493 2.618 20 0 DFADHO Cc1ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(OCCN(C)C)c1 ZINC000679148939 544792628 /nfs/dbraw/zinc/79/26/28/544792628.db2.gz WGFGIRUZRNKDSP-HOTGVXAUSA-N 1 3 305.466 2.830 20 0 DFADHO Cc1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(OCCN(C)C)c1 ZINC000679148939 544792631 /nfs/dbraw/zinc/79/26/31/544792631.db2.gz WGFGIRUZRNKDSP-HOTGVXAUSA-N 1 3 305.466 2.830 20 0 DFADHO CCN(CC)CC(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000063662465 425900758 /nfs/dbraw/zinc/90/07/58/425900758.db2.gz PCUKQCNFQIIEGN-QGZVFWFLSA-N 1 3 305.466 2.528 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2cc(F)ccc2F)C[C@H](C)O1 ZINC000067452670 425910765 /nfs/dbraw/zinc/91/07/65/425910765.db2.gz PUORNFMCLZJNGV-KBPBESRZSA-N 1 3 312.404 2.944 20 0 DFADHO CCC[NH+]1CCC(N2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC000124454126 425920594 /nfs/dbraw/zinc/92/05/94/425920594.db2.gz DBUSIPPXWJEHKQ-GOSISDBHSA-N 1 3 305.510 2.835 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000155638555 425923222 /nfs/dbraw/zinc/92/32/22/425923222.db2.gz SPVUDEIHAQMUCA-IRXDYDNUSA-N 1 3 319.493 2.680 20 0 DFADHO C[C@H](CC[NH2+][C@@H]1CCN(C)[C@H](C)C1)N(C)Cc1ccccc1 ZINC000156196060 425933165 /nfs/dbraw/zinc/93/31/65/425933165.db2.gz JCHQXSFIESPDGQ-ZHALLVOQSA-N 1 3 303.494 2.969 20 0 DFADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCCC1(C)C)c1ccccc1 ZINC000191852486 268016989 /nfs/dbraw/zinc/01/69/89/268016989.db2.gz MQKUJQSHVGOYTC-SJORKVTESA-N 1 3 317.477 2.574 20 0 DFADHO COC(=O)C1CCC([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000192447614 268036649 /nfs/dbraw/zinc/03/66/49/268036649.db2.gz HOAWIOJSNXMQNK-SOEBMCCKSA-N 1 3 322.493 2.961 20 0 DFADHO COc1cccc2c1CC[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)C2 ZINC000192439644 268037299 /nfs/dbraw/zinc/03/72/99/268037299.db2.gz FOHGIORUVSSXPL-NVXWUHKLSA-N 1 3 302.462 2.874 20 0 DFADHO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000195136876 268127815 /nfs/dbraw/zinc/12/78/15/268127815.db2.gz MAQAEAMHKDQRFM-CRAIPNDOSA-N 1 3 312.461 2.901 20 0 DFADHO CN(C)Cc1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000195483236 268136487 /nfs/dbraw/zinc/13/64/87/268136487.db2.gz VEVAVKGHXGQKLY-UHFFFAOYSA-N 1 3 317.477 2.741 20 0 DFADHO CN(CC[C@@H]1CC[NH2+]C1)Cc1ccc(Br)s1 ZINC000258878347 268168528 /nfs/dbraw/zinc/16/85/28/268168528.db2.gz BIEYCJJBIMTAQI-JTQLQIEISA-N 1 3 303.269 2.942 20 0 DFADHO C[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[C@H]1O ZINC000250123769 268168251 /nfs/dbraw/zinc/16/82/51/268168251.db2.gz VXMSVTMMXLLFKO-SJLPKXTDSA-N 1 3 304.478 2.847 20 0 DFADHO C[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@H]1O ZINC000250123769 268168252 /nfs/dbraw/zinc/16/82/52/268168252.db2.gz VXMSVTMMXLLFKO-SJLPKXTDSA-N 1 3 304.478 2.847 20 0 DFADHO COc1cccc(N2CC[C@H](N[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)C2)c1 ZINC000268867556 268186458 /nfs/dbraw/zinc/18/64/58/268186458.db2.gz TUYLKPJCRZLQJU-CYJAXWMASA-N 1 3 317.477 2.592 20 0 DFADHO COc1cccc(N2CC[C@H](N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)C2)c1 ZINC000268867556 268186459 /nfs/dbraw/zinc/18/64/59/268186459.db2.gz TUYLKPJCRZLQJU-CYJAXWMASA-N 1 3 317.477 2.592 20 0 DFADHO CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000313123470 268338841 /nfs/dbraw/zinc/33/88/41/268338841.db2.gz STKYGTLNMPQHDT-MANSERQUSA-N 1 3 314.473 2.912 20 0 DFADHO CC1(C)COC[C@@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000313123470 268338843 /nfs/dbraw/zinc/33/88/43/268338843.db2.gz STKYGTLNMPQHDT-MANSERQUSA-N 1 3 314.473 2.912 20 0 DFADHO CC1(C)COC[C@@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000313123470 268338844 /nfs/dbraw/zinc/33/88/44/268338844.db2.gz STKYGTLNMPQHDT-MANSERQUSA-N 1 3 314.473 2.912 20 0 DFADHO CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000313123467 268339272 /nfs/dbraw/zinc/33/92/72/268339272.db2.gz STKYGTLNMPQHDT-HCXYKTFWSA-N 1 3 314.473 2.912 20 0 DFADHO CC1(C)COC[C@@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000313123467 268339273 /nfs/dbraw/zinc/33/92/73/268339273.db2.gz STKYGTLNMPQHDT-HCXYKTFWSA-N 1 3 314.473 2.912 20 0 DFADHO CC1(C)COC[C@@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000313123467 268339274 /nfs/dbraw/zinc/33/92/74/268339274.db2.gz STKYGTLNMPQHDT-HCXYKTFWSA-N 1 3 314.473 2.912 20 0 DFADHO C[C@H]1[NH2+]CCC[C@@H]1NC1CCC2(CC1)c1ccccc1NC2=O ZINC000333289185 268389244 /nfs/dbraw/zinc/38/92/44/268389244.db2.gz OCPZGHSJOLVRFI-VSPZMHAVSA-N 1 3 313.445 2.549 20 0 DFADHO COCCCCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000103227875 425939352 /nfs/dbraw/zinc/93/93/52/425939352.db2.gz SXBAGRXMKHFQMR-IRXDYDNUSA-N 1 3 312.498 2.624 20 0 DFADHO CCc1cc(N2CCN([C@H](CC)CO)CC2)c2ccccc2[nH+]1 ZINC000125628534 425982403 /nfs/dbraw/zinc/98/24/03/425982403.db2.gz AIRHTSVZDVJCHD-MRXNPFEDSA-N 1 3 313.445 2.690 20 0 DFADHO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CCC[NH+]2CCCCC2)C1 ZINC000125005803 425949326 /nfs/dbraw/zinc/94/93/26/425949326.db2.gz UGLVYIRWNYVDOH-QZTJIDSGSA-N 1 3 323.525 2.879 20 0 DFADHO CC(C)CC[NH+]1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000108865552 426022677 /nfs/dbraw/zinc/02/26/77/426022677.db2.gz DXTVILXVYAVLHZ-UHFFFAOYSA-N 1 3 303.494 2.782 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN2CCCC3(CCCCC3)C2)CC1 ZINC000111324071 426046977 /nfs/dbraw/zinc/04/69/77/426046977.db2.gz IOSJGEHDMWLXCJ-UHFFFAOYSA-N 1 3 321.509 2.633 20 0 DFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000076129462 426101193 /nfs/dbraw/zinc/10/11/93/426101193.db2.gz WOEXDVZIDAPPBC-OAHLLOKOSA-N 1 3 318.465 2.744 20 0 DFADHO C[C@@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000163831045 426109748 /nfs/dbraw/zinc/10/97/48/426109748.db2.gz JIRWXQQJIQEBMX-HUUCEWRRSA-N 1 3 316.449 2.772 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@H]1CCOC1 ZINC000165299128 426121518 /nfs/dbraw/zinc/12/15/18/426121518.db2.gz NADBBPJWJOTMEA-NEWSRXKRSA-N 1 3 302.462 2.566 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCCN1CCN(C)CC1)CCC2 ZINC000166146556 426125703 /nfs/dbraw/zinc/12/57/03/426125703.db2.gz NVWRZMXGHFGYTP-FQEVSTJZSA-N 1 3 315.505 2.990 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CCN1C ZINC000166330649 426127654 /nfs/dbraw/zinc/12/76/54/426127654.db2.gz IYVWDGMMYJXDNR-ONCXSQPRSA-N 1 3 315.505 2.969 20 0 DFADHO CCc1ccc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)s1 ZINC000128663537 426127931 /nfs/dbraw/zinc/12/79/31/426127931.db2.gz KRZIGDDYMRTNMR-HNNXBMFYSA-N 1 3 309.523 2.989 20 0 DFADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000128719825 426130418 /nfs/dbraw/zinc/13/04/18/426130418.db2.gz ATSNCFSQZYBDEL-DNVCBOLYSA-N 1 3 319.468 2.676 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN(C)CCC2CCCCC2)CC1 ZINC000114456226 426136639 /nfs/dbraw/zinc/13/66/39/426136639.db2.gz AEZLKDFMGFVSDE-UHFFFAOYSA-N 1 3 323.525 2.878 20 0 DFADHO COCCCN1CCC([NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000171095548 426169875 /nfs/dbraw/zinc/16/98/75/426169875.db2.gz WVPIQIHWSXHKOA-UHFFFAOYSA-N 1 3 316.445 2.553 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCCN2C)cc1)C(C)C ZINC000171275347 426180444 /nfs/dbraw/zinc/18/04/44/426180444.db2.gz UIACMESDUACPBM-GOSISDBHSA-N 1 3 317.477 2.741 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCCN2C)cc1)C(C)C ZINC000171275347 426180447 /nfs/dbraw/zinc/18/04/47/426180447.db2.gz UIACMESDUACPBM-GOSISDBHSA-N 1 3 317.477 2.741 20 0 DFADHO CCN(CC)CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116215811 426183621 /nfs/dbraw/zinc/18/36/21/426183621.db2.gz QIFYVZNJOHTIOK-INIZCTEOSA-N 1 3 317.477 2.670 20 0 DFADHO C[NH+](C)CCOc1cc(CNCc2cccc3[nH]ccc32)ccn1 ZINC000136224233 426238159 /nfs/dbraw/zinc/23/81/59/426238159.db2.gz CMSNSFQEHRICMY-UHFFFAOYSA-N 1 3 324.428 2.793 20 0 DFADHO Cc1ccc2c(C[N@@H+](C)C[C@H]3CCCN(C)C3)cc(=O)oc2c1 ZINC000118843209 426248214 /nfs/dbraw/zinc/24/82/14/426248214.db2.gz YEHKQOHFMCXMFS-HNNXBMFYSA-N 1 3 314.429 2.875 20 0 DFADHO Cc1ccc2c(C[N@H+](C)C[C@H]3CCCN(C)C3)cc(=O)oc2c1 ZINC000118843209 426248216 /nfs/dbraw/zinc/24/82/16/426248216.db2.gz YEHKQOHFMCXMFS-HNNXBMFYSA-N 1 3 314.429 2.875 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](CCCOCCc2ccccc2)C1 ZINC000173884954 426250206 /nfs/dbraw/zinc/25/02/06/426250206.db2.gz IBABWYOGDYRFCO-IBGZPJMESA-N 1 3 304.478 2.909 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000173884954 426250210 /nfs/dbraw/zinc/25/02/10/426250210.db2.gz IBABWYOGDYRFCO-IBGZPJMESA-N 1 3 304.478 2.909 20 0 DFADHO C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCCCCC1 ZINC000174383217 426255654 /nfs/dbraw/zinc/25/56/54/426255654.db2.gz NLXXTLFCTMOGKY-ROUUACIJSA-N 1 3 321.509 2.585 20 0 DFADHO CC1(C)CCC(CN2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000119525462 426294622 /nfs/dbraw/zinc/29/46/22/426294622.db2.gz RJHXSSRBSSOGMI-UHFFFAOYSA-N 1 3 307.526 2.916 20 0 DFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000119566385 426297470 /nfs/dbraw/zinc/29/74/70/426297470.db2.gz OABYRMVKAHSGPY-RDJZCZTQSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000119566385 426297472 /nfs/dbraw/zinc/29/74/72/426297472.db2.gz OABYRMVKAHSGPY-RDJZCZTQSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1nc2c(s1)CCCC2 ZINC000089667509 426301170 /nfs/dbraw/zinc/30/11/70/426301170.db2.gz OOKCQJOXKQSVPZ-UMVBOHGHSA-N 1 3 307.507 2.883 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1nc2c(s1)CCCC2 ZINC000089667509 426301171 /nfs/dbraw/zinc/30/11/71/426301171.db2.gz OOKCQJOXKQSVPZ-UMVBOHGHSA-N 1 3 307.507 2.883 20 0 DFADHO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc(OC)c1OC ZINC000121240727 426327858 /nfs/dbraw/zinc/32/78/58/426327858.db2.gz IFOBUGJJJOPAOU-UMVBOHGHSA-N 1 3 322.449 2.531 20 0 DFADHO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000152409087 426342368 /nfs/dbraw/zinc/34/23/68/426342368.db2.gz RQEUDFLSYXFNCZ-RHSMWYFYSA-N 1 3 316.445 2.983 20 0 DFADHO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000152409087 426342371 /nfs/dbraw/zinc/34/23/71/426342371.db2.gz RQEUDFLSYXFNCZ-RHSMWYFYSA-N 1 3 316.445 2.983 20 0 DFADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(OCCN(C)C)cc1 ZINC000152845643 426357160 /nfs/dbraw/zinc/35/71/60/426357160.db2.gz BIAXOSAJVPJZME-MPGHIAIKSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000122780184 426393145 /nfs/dbraw/zinc/39/31/45/426393145.db2.gz WJGGCZDBAYFLFF-MBOZVWFJSA-N 1 3 315.505 2.753 20 0 DFADHO CCc1nccn1[C@@H]1CCC[N@H+](CCN2CCC(C)CC2)C1 ZINC000153841479 426409111 /nfs/dbraw/zinc/40/91/11/426409111.db2.gz GZIFSBVSDKYBOP-QGZVFWFLSA-N 1 3 304.482 2.814 20 0 DFADHO CCc1nccn1[C@@H]1CCC[N@@H+](CCN2CCC(C)CC2)C1 ZINC000153841479 426409113 /nfs/dbraw/zinc/40/91/13/426409113.db2.gz GZIFSBVSDKYBOP-QGZVFWFLSA-N 1 3 304.482 2.814 20 0 DFADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123198127 426419641 /nfs/dbraw/zinc/41/96/41/426419641.db2.gz NJWKEIHMRSHMKC-KRWDZBQOSA-N 1 3 323.525 2.831 20 0 DFADHO CNC(=O)c1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123282292 426425141 /nfs/dbraw/zinc/42/51/41/426425141.db2.gz JECANNLDRQKZIE-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000154311978 426435296 /nfs/dbraw/zinc/43/52/96/426435296.db2.gz QOJCXGYHUPFSSF-LJQANCHMSA-N 1 3 301.478 2.681 20 0 DFADHO COc1ccc(C[C@H](C)CN2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000340698426 269001669 /nfs/dbraw/zinc/00/16/69/269001669.db2.gz OUYWQBGIXIOBOE-KSSFIOAISA-N 1 3 306.425 2.698 20 0 DFADHO CN(CCCc1cc(-c2ccccc2)n[nH]1)C[C@]1(C)CC[NH2+]C1 ZINC000340712828 269003110 /nfs/dbraw/zinc/00/31/10/269003110.db2.gz SWQJMBCGSDNVEB-LJQANCHMSA-N 1 3 312.461 2.941 20 0 DFADHO CC(C)CN1CCC[C@@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000341358804 269072091 /nfs/dbraw/zinc/07/20/91/269072091.db2.gz SBOAKAWCZQHHGG-HNNXBMFYSA-N 1 3 317.468 2.674 20 0 DFADHO C[C@H](c1ccccn1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000177362175 426471864 /nfs/dbraw/zinc/47/18/64/426471864.db2.gz IBTWJGKQAUPHFA-MRXNPFEDSA-N 1 3 303.450 2.719 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000124160241 426473988 /nfs/dbraw/zinc/47/39/88/426473988.db2.gz WRLHUUGZARMRAK-HOCLYGCPSA-N 1 3 306.450 2.566 20 0 DFADHO C[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)N1[C@@H](C)CC[C@@H]1C ZINC000101639514 426485722 /nfs/dbraw/zinc/48/57/22/426485722.db2.gz HOSVSTHAZHXAHR-JYJNAYRXSA-N 1 3 317.477 2.626 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000101659262 426485884 /nfs/dbraw/zinc/48/58/84/426485884.db2.gz WMCUAAQHAAZTFQ-OWCLPIDISA-N 1 3 309.498 2.628 20 0 DFADHO C[NH+]1CCC(N2CCC(NC(=O)C3CCCCCC3)CC2)CC1 ZINC000101861228 426486773 /nfs/dbraw/zinc/48/67/73/426486773.db2.gz HZNMWOVJZHHBDE-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272359829 426507842 /nfs/dbraw/zinc/50/78/42/426507842.db2.gz PYXUMOGLPUKZRI-SFHVURJKSA-N 1 3 318.436 2.808 20 0 DFADHO CN(CCCO)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000272386999 426513049 /nfs/dbraw/zinc/51/30/49/426513049.db2.gz WXNAIXPQRBDWAT-UHFFFAOYSA-N 1 3 308.441 2.537 20 0 DFADHO Cn1cc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000272388883 426513712 /nfs/dbraw/zinc/51/37/12/426513712.db2.gz GTBVSUABGZLFSS-OWZKRDHZSA-N 1 3 324.472 2.748 20 0 DFADHO Cn1cc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000272388883 426513718 /nfs/dbraw/zinc/51/37/18/426513718.db2.gz GTBVSUABGZLFSS-OWZKRDHZSA-N 1 3 324.472 2.748 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272395605 426515349 /nfs/dbraw/zinc/51/53/49/426515349.db2.gz DGPPHVKTBMFAJU-ICSRJNTNSA-N 1 3 315.505 2.973 20 0 DFADHO Cc1nccn1CC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272485139 426538911 /nfs/dbraw/zinc/53/89/11/426538911.db2.gz MMCKRRFTYYELSL-QFBILLFUSA-N 1 3 312.461 2.692 20 0 DFADHO CCC[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000272513569 426544413 /nfs/dbraw/zinc/54/44/13/426544413.db2.gz XYKNTPKYRKEUGY-KRWDZBQOSA-N 1 3 303.450 2.781 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CCN1C ZINC000177968765 426547531 /nfs/dbraw/zinc/54/75/31/426547531.db2.gz UUUNHBTVGJRMKJ-PXNSSMCTSA-N 1 3 315.505 2.766 20 0 DFADHO CSCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177510408 426490686 /nfs/dbraw/zinc/49/06/86/426490686.db2.gz SMZWURPQUHOZJA-IYBDPMFKSA-N 1 3 314.539 2.951 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@@H]2C)C12CCOCC2 ZINC000186212710 426494462 /nfs/dbraw/zinc/49/44/62/426494462.db2.gz TZUGRGSOKQNDJA-OKZBNKHCSA-N 1 3 324.509 2.815 20 0 DFADHO CCO[C@@H]1C[C@H](NCCC[N@@H+]2CCCC[C@@H]2C)C12CCOCC2 ZINC000186212710 426494463 /nfs/dbraw/zinc/49/44/63/426494463.db2.gz TZUGRGSOKQNDJA-OKZBNKHCSA-N 1 3 324.509 2.815 20 0 DFADHO CCO[C@@H]1C[C@H](NCCC[N@H+]2CCCC[C@@H]2C)C12CCOCC2 ZINC000186212710 426494465 /nfs/dbraw/zinc/49/44/65/426494465.db2.gz TZUGRGSOKQNDJA-OKZBNKHCSA-N 1 3 324.509 2.815 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(OCCN(C)C)cc1 ZINC000178161680 426580615 /nfs/dbraw/zinc/58/06/15/426580615.db2.gz SOSWDJKQMXWWAI-OAHLLOKOSA-N 1 3 308.466 2.686 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000273188584 426610795 /nfs/dbraw/zinc/61/07/95/426610795.db2.gz INDBZORFGUOPLM-ZBFHGGJFSA-N 1 3 305.466 2.572 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000273188576 426611300 /nfs/dbraw/zinc/61/13/00/426611300.db2.gz INDBZORFGUOPLM-GOEBONIOSA-N 1 3 305.466 2.572 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186946724 426611912 /nfs/dbraw/zinc/61/19/12/426611912.db2.gz KRUUJEDPFZQPOR-GOSISDBHSA-N 1 3 320.452 2.679 20 0 DFADHO CCN1CC[C@H](C[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000187115237 426631099 /nfs/dbraw/zinc/63/10/99/426631099.db2.gz SWNQQFWCTOPUPB-GOEBONIOSA-N 1 3 308.441 2.944 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178915449 426720351 /nfs/dbraw/zinc/72/03/51/426720351.db2.gz DMAFYHUSACFDIT-DLBZAZTESA-N 1 3 323.525 2.878 20 0 DFADHO COCCC[C@H](C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000178795072 426697975 /nfs/dbraw/zinc/69/79/75/426697975.db2.gz KUYWWCAZRUIQGA-INIZCTEOSA-N 1 3 320.477 2.548 20 0 DFADHO CC(C)[C@@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245735924 426767426 /nfs/dbraw/zinc/76/74/26/426767426.db2.gz QUJGJYCYXJYEOA-OKYOBFRVSA-N 1 3 302.462 2.789 20 0 DFADHO CC(C)[C@@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245735924 426767428 /nfs/dbraw/zinc/76/74/28/426767428.db2.gz QUJGJYCYXJYEOA-OKYOBFRVSA-N 1 3 302.462 2.789 20 0 DFADHO CN1CCN(CC[NH2+]Cc2ccc3ccccc3c2)CC1(C)C ZINC000281861021 426780050 /nfs/dbraw/zinc/78/00/50/426780050.db2.gz ANHRYEJPKICCPP-UHFFFAOYSA-N 1 3 311.473 2.955 20 0 DFADHO CC1(C)[C@H](NC[C@@H](O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000274263313 426730944 /nfs/dbraw/zinc/73/09/44/426730944.db2.gz KUMSRKWKPMHBOT-FGTMMUONSA-N 1 3 302.462 2.615 20 0 DFADHO CC(C)[NH+]1CCC(N(C)CCc2ccc3c(c2)CCO3)CC1 ZINC000266542900 426736488 /nfs/dbraw/zinc/73/64/88/426736488.db2.gz QNTWUSVJIYLAEV-UHFFFAOYSA-N 1 3 302.462 2.969 20 0 DFADHO C[C@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)CN(Cc2ccccc2)C1 ZINC000274346936 426748078 /nfs/dbraw/zinc/74/80/78/426748078.db2.gz JNHPZIRRQZSGQC-PXNSSMCTSA-N 1 3 313.489 2.749 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)CN(Cc2ccccc2)C1 ZINC000274346945 426749751 /nfs/dbraw/zinc/74/97/51/426749751.db2.gz JNHPZIRRQZSGQC-YLJYHZDGSA-N 1 3 313.489 2.749 20 0 DFADHO COc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000290592400 426801961 /nfs/dbraw/zinc/80/19/61/426801961.db2.gz VJTWROFAVGLQJS-INIZCTEOSA-N 1 3 318.461 2.868 20 0 DFADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000246255148 426814903 /nfs/dbraw/zinc/81/49/03/426814903.db2.gz KGINKHUPNQRKQA-CGTJXYLNSA-N 1 3 317.477 2.531 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000282056590 426821462 /nfs/dbraw/zinc/82/14/62/426821462.db2.gz MIDSZZJLPBAMIQ-SFHVURJKSA-N 1 3 313.489 2.998 20 0 DFADHO CC(C)(O)CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000274759828 426832224 /nfs/dbraw/zinc/83/22/24/426832224.db2.gz DFYIYGGFXMCYEK-OKZBNKHCSA-N 1 3 302.462 2.648 20 0 DFADHO CC(C)(O)CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000274759826 426832237 /nfs/dbraw/zinc/83/22/37/426832237.db2.gz DFYIYGGFXMCYEK-KZNAEPCWSA-N 1 3 302.462 2.648 20 0 DFADHO c1[nH]c2nccnc2c1CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000290783009 426837639 /nfs/dbraw/zinc/83/76/39/426837639.db2.gz CKLJFVOCUKTFNC-UHFFFAOYSA-N 1 3 321.428 2.844 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000274872208 426855122 /nfs/dbraw/zinc/85/51/22/426855122.db2.gz XOURHFOZQOASSY-HOJAQTOUSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000274872213 426855236 /nfs/dbraw/zinc/85/52/36/426855236.db2.gz XOURHFOZQOASSY-RLLQIKCJSA-N 1 3 315.505 2.971 20 0 DFADHO c1ccc(C[N@H+]2CC[C@@H]3CN(C[C@@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000309954999 426917835 /nfs/dbraw/zinc/91/78/35/426917835.db2.gz IEZZAPMJLTYDHO-QYZOEREBSA-N 1 3 300.446 2.619 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(C[C@@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000309954999 426917841 /nfs/dbraw/zinc/91/78/41/426917841.db2.gz IEZZAPMJLTYDHO-QYZOEREBSA-N 1 3 300.446 2.619 20 0 DFADHO Cc1ccn(-c2ccccc2CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000247259871 426920223 /nfs/dbraw/zinc/92/02/23/426920223.db2.gz ROIGBNSOMXBDKS-UWWQBHOKSA-N 1 3 312.461 2.999 20 0 DFADHO Cc1ccn(-c2ccccc2CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000247259871 426920228 /nfs/dbraw/zinc/92/02/28/426920228.db2.gz ROIGBNSOMXBDKS-UWWQBHOKSA-N 1 3 312.461 2.999 20 0 DFADHO C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000275800591 426922585 /nfs/dbraw/zinc/92/25/85/426922585.db2.gz YIMCWGRMMFSJTN-MRXNPFEDSA-N 1 3 319.493 2.762 20 0 DFADHO C[C@@H](CC(N)=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000267285571 426864126 /nfs/dbraw/zinc/86/41/26/426864126.db2.gz WIXUWDRDIOUIKE-HNNXBMFYSA-N 1 3 317.477 2.805 20 0 DFADHO C[C@@H](CC(N)=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000267285571 426864130 /nfs/dbraw/zinc/86/41/30/426864130.db2.gz WIXUWDRDIOUIKE-HNNXBMFYSA-N 1 3 317.477 2.805 20 0 DFADHO COc1ccccc1N1CC[C@H](N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000246851200 426871950 /nfs/dbraw/zinc/87/19/50/426871950.db2.gz CAVRXJXFPKIDMT-LUKYLMHMSA-N 1 3 317.477 2.592 20 0 DFADHO COc1ccccc1N1CC[C@H](N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000246851200 426871954 /nfs/dbraw/zinc/87/19/54/426871954.db2.gz CAVRXJXFPKIDMT-LUKYLMHMSA-N 1 3 317.477 2.592 20 0 DFADHO COc1ccccc1N1CC[C@H](N[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000246851170 426872636 /nfs/dbraw/zinc/87/26/36/426872636.db2.gz CAVRXJXFPKIDMT-LTIDMASMSA-N 1 3 317.477 2.592 20 0 DFADHO COc1ccccc1N1CC[C@H](N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000246851170 426872642 /nfs/dbraw/zinc/87/26/42/426872642.db2.gz CAVRXJXFPKIDMT-LTIDMASMSA-N 1 3 317.477 2.592 20 0 DFADHO CSC[C@](C)(O)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000305127907 426885071 /nfs/dbraw/zinc/88/50/71/426885071.db2.gz LXRXNFNJVYGKGQ-HYVNUMGLSA-N 1 3 314.539 2.733 20 0 DFADHO CSC[C@](C)(O)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000305127907 426885076 /nfs/dbraw/zinc/88/50/76/426885076.db2.gz LXRXNFNJVYGKGQ-HYVNUMGLSA-N 1 3 314.539 2.733 20 0 DFADHO CSC[C@](C)(O)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000305127751 426885522 /nfs/dbraw/zinc/88/55/22/426885522.db2.gz LUBMQLQFESLRQN-USXIJHARSA-N 1 3 314.539 2.733 20 0 DFADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(F)c1 ZINC000282349977 426889430 /nfs/dbraw/zinc/88/94/30/426889430.db2.gz PERKBGFSPBQXSD-KRWDZBQOSA-N 1 3 307.457 2.892 20 0 DFADHO Cc1oc2ccccc2c1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282379870 426895554 /nfs/dbraw/zinc/89/55/54/426895554.db2.gz OIGMMEHLXTUDNH-UHFFFAOYSA-N 1 3 315.461 2.857 20 0 DFADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cc(Cl)ccc1F ZINC000189781618 426949555 /nfs/dbraw/zinc/94/95/55/426949555.db2.gz FNVMJTISJMLISF-UHFFFAOYSA-N 1 3 313.848 2.548 20 0 DFADHO CCC[C@@H](O)CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295418320 426951491 /nfs/dbraw/zinc/95/14/91/426951491.db2.gz XXZKJIUYAPFNAY-MOPGFXCFSA-N 1 3 302.462 2.745 20 0 DFADHO CCC[C@@H](O)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000295418320 426951500 /nfs/dbraw/zinc/95/15/00/426951500.db2.gz XXZKJIUYAPFNAY-MOPGFXCFSA-N 1 3 302.462 2.745 20 0 DFADHO CC(C)Cn1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000181781435 426978545 /nfs/dbraw/zinc/97/85/45/426978545.db2.gz JEUNYNNKCVSHLM-IRXDYDNUSA-N 1 3 322.497 2.518 20 0 DFADHO C[C@H]([NH2+]C[C@H](O)CC(F)(F)F)[C@H]1CCCN(C2CCC2)C1 ZINC000189933779 426983352 /nfs/dbraw/zinc/98/33/52/426983352.db2.gz ASDGMXONYKJXRZ-SGMGOOAPSA-N 1 3 308.388 2.542 20 0 DFADHO C[C@H](NC[C@H](O)CC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189933779 426983361 /nfs/dbraw/zinc/98/33/61/426983361.db2.gz ASDGMXONYKJXRZ-SGMGOOAPSA-N 1 3 308.388 2.542 20 0 DFADHO C[C@H](NC[C@H](O)CC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189933779 426983365 /nfs/dbraw/zinc/98/33/65/426983365.db2.gz ASDGMXONYKJXRZ-SGMGOOAPSA-N 1 3 308.388 2.542 20 0 DFADHO C[C@@H](C[NH2+]Cc1ccc(OCc2ccncc2)cc1)CN(C)C ZINC000291789272 426988817 /nfs/dbraw/zinc/98/88/17/426988817.db2.gz VXVFPVZIQBWETF-INIZCTEOSA-N 1 3 313.445 2.948 20 0 DFADHO Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@H]3CCCCN3C)C2)n1 ZINC000268563080 427055515 /nfs/dbraw/zinc/05/55/15/427055515.db2.gz POHGNDKYBAEOSN-QZTJIDSGSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1cccc(NC[C@H]2CC[N@H+](CC[C@H]3CCCCN3C)C2)n1 ZINC000268563080 427055521 /nfs/dbraw/zinc/05/55/21/427055521.db2.gz POHGNDKYBAEOSN-QZTJIDSGSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1cccc(NC[C@H]2CCN(CC[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000268563080 427055527 /nfs/dbraw/zinc/05/55/27/427055527.db2.gz POHGNDKYBAEOSN-QZTJIDSGSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1cccc(NC[C@H]2CCN(CC[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000268563080 427055536 /nfs/dbraw/zinc/05/55/36/427055536.db2.gz POHGNDKYBAEOSN-QZTJIDSGSA-N 1 3 316.493 2.998 20 0 DFADHO C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)[C@@H]1CCCN(C2CCC2)C1 ZINC000248864369 427056569 /nfs/dbraw/zinc/05/65/69/427056569.db2.gz ASDGMXONYKJXRZ-SCRDCRAPSA-N 1 3 308.388 2.542 20 0 DFADHO C[C@H](NC[C@@H](O)CC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248864369 427056587 /nfs/dbraw/zinc/05/65/87/427056587.db2.gz ASDGMXONYKJXRZ-SCRDCRAPSA-N 1 3 308.388 2.542 20 0 DFADHO C[C@H](NC[C@@H](O)CC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248864369 427056589 /nfs/dbraw/zinc/05/65/89/427056589.db2.gz ASDGMXONYKJXRZ-SCRDCRAPSA-N 1 3 308.388 2.542 20 0 DFADHO COc1ccc(C[C@H](C)CN2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000248901361 427060913 /nfs/dbraw/zinc/06/09/13/427060913.db2.gz XAMPAJWHTRDVGC-HOCLYGCPSA-N 1 3 308.441 2.896 20 0 DFADHO CC(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248406184 426995769 /nfs/dbraw/zinc/99/57/69/426995769.db2.gz BRGYAFVFNIOCQH-MTQWCTHYSA-N 1 3 316.489 2.894 20 0 DFADHO C[C@@H]1CC[N@@H+](CC2(CN3CC[C@H](C)[C@@H](C)C3)COC2)C[C@H]1C ZINC000248420089 426999494 /nfs/dbraw/zinc/99/94/94/426999494.db2.gz LMOSDEHIBGPUCS-USTZCAOPSA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H]1CC[N@H+](CC2(CN3CC[C@H](C)[C@@H](C)C3)COC2)C[C@H]1C ZINC000248420089 426999501 /nfs/dbraw/zinc/99/95/01/426999501.db2.gz LMOSDEHIBGPUCS-USTZCAOPSA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H]1CCN(CC2(C[N@@H+]3CC[C@H](C)[C@@H](C)C3)COC2)C[C@H]1C ZINC000248420089 426999504 /nfs/dbraw/zinc/99/95/04/426999504.db2.gz LMOSDEHIBGPUCS-USTZCAOPSA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H]1CCN(CC2(C[N@H+]3CC[C@H](C)[C@@H](C)C3)COC2)C[C@H]1C ZINC000248420089 426999511 /nfs/dbraw/zinc/99/95/11/426999511.db2.gz LMOSDEHIBGPUCS-USTZCAOPSA-N 1 3 308.510 2.959 20 0 DFADHO CC[C@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)N(CC)CC ZINC000276246953 427016551 /nfs/dbraw/zinc/01/65/51/427016551.db2.gz MVAFYABXHPNZPH-GOSISDBHSA-N 1 3 319.493 2.527 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2cc3ccccc3o2)CC1 ZINC000268447012 427020564 /nfs/dbraw/zinc/02/05/64/427020564.db2.gz UNJCZSORQGKBPU-UHFFFAOYSA-N 1 3 302.418 2.758 20 0 DFADHO C[C@H](NCCO[C@H]1CCCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248839218 427051639 /nfs/dbraw/zinc/05/16/39/427051639.db2.gz PUPZGXHCTZFKON-JZXOWHBKSA-N 1 3 310.482 2.772 20 0 DFADHO C[C@H](NCCO[C@H]1CCCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248839218 427051648 /nfs/dbraw/zinc/05/16/48/427051648.db2.gz PUPZGXHCTZFKON-JZXOWHBKSA-N 1 3 310.482 2.772 20 0 DFADHO C[C@H]([NH2+]CCO[C@H]1CCCCO1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248839218 427051653 /nfs/dbraw/zinc/05/16/53/427051653.db2.gz PUPZGXHCTZFKON-JZXOWHBKSA-N 1 3 310.482 2.772 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000182407480 427073371 /nfs/dbraw/zinc/07/33/71/427073371.db2.gz JZGOXEDNIGRUEJ-LJQANCHMSA-N 1 3 319.468 2.820 20 0 DFADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000248999726 427074143 /nfs/dbraw/zinc/07/41/43/427074143.db2.gz IGFWWKGRKATDMT-XOKHGSTOSA-N 1 3 310.388 2.869 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN2CCCCC2)C12CCOCC2 ZINC000249001124 427074315 /nfs/dbraw/zinc/07/43/15/427074315.db2.gz MZYWNSMZTYJAON-OKZBNKHCSA-N 1 3 324.509 2.672 20 0 DFADHO CCN1CC[C@@H](C[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000249033382 427077652 /nfs/dbraw/zinc/07/76/52/427077652.db2.gz SWNQQFWCTOPUPB-ZBFHGGJFSA-N 1 3 308.441 2.944 20 0 DFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CCN(C)Cc1ccccc1 ZINC000296114117 427079829 /nfs/dbraw/zinc/07/98/29/427079829.db2.gz XYVLHWWYUGGJSO-MJGOQNOKSA-N 1 3 301.478 2.677 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000338009045 427090434 /nfs/dbraw/zinc/09/04/34/427090434.db2.gz FQGZXNMINWQAEW-VAMGGRTRSA-N 1 3 314.473 2.922 20 0 DFADHO CC[C@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)N(C)C ZINC000268709497 427096000 /nfs/dbraw/zinc/09/60/00/427096000.db2.gz CREKEQRFRKJYNA-GDBMZVCRSA-N 1 3 305.466 2.572 20 0 DFADHO CC[NH+]1CCC(N[C@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000268718060 427101134 /nfs/dbraw/zinc/10/11/34/427101134.db2.gz JSTTVPKYFFAWEJ-CQSZACIVSA-N 1 3 306.450 2.977 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCCc2c(O)cccc21 ZINC000283949864 427105502 /nfs/dbraw/zinc/10/55/02/427105502.db2.gz FRPVXAWRQZFGEB-RHSMWYFYSA-N 1 3 306.450 2.716 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N(C)C)c1 ZINC000249319644 427106896 /nfs/dbraw/zinc/10/68/96/427106896.db2.gz PVHPHNNCYTUWBV-SAKMYQHLSA-N 1 3 319.493 2.616 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)c1 ZINC000249319644 427106903 /nfs/dbraw/zinc/10/69/03/427106903.db2.gz PVHPHNNCYTUWBV-SAKMYQHLSA-N 1 3 319.493 2.616 20 0 DFADHO COc1cccc([C@H](C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)N(C)C)c1 ZINC000249319644 427106909 /nfs/dbraw/zinc/10/69/09/427106909.db2.gz PVHPHNNCYTUWBV-SAKMYQHLSA-N 1 3 319.493 2.616 20 0 DFADHO Cc1c([C@@H](C)NCCCC[NH+](C)C)nnn1-c1ccc(C)cc1 ZINC000268811079 427125721 /nfs/dbraw/zinc/12/57/21/427125721.db2.gz AWUQSBWXKDBNGX-OAHLLOKOSA-N 1 3 315.465 2.877 20 0 DFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(O)c1 ZINC000249606596 427134471 /nfs/dbraw/zinc/13/44/71/427134471.db2.gz RIWOLJXUPCDYAR-OWCLPIDISA-N 1 3 306.450 2.932 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000268876757 427137499 /nfs/dbraw/zinc/13/74/99/427137499.db2.gz IYVWDGMMYJXDNR-BWPNAZKDSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1F ZINC000268929653 427137529 /nfs/dbraw/zinc/13/75/29/427137529.db2.gz QIZKNDCRPYBYOJ-ZFWWWQNUSA-N 1 3 312.404 2.852 20 0 DFADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1F ZINC000268929653 427137537 /nfs/dbraw/zinc/13/75/37/427137537.db2.gz QIZKNDCRPYBYOJ-ZFWWWQNUSA-N 1 3 312.404 2.852 20 0 DFADHO C[C@@H](CCCO)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000296327538 427149654 /nfs/dbraw/zinc/14/96/54/427149654.db2.gz HCPSQJNIKMLDAH-HOTGVXAUSA-N 1 3 308.466 2.686 20 0 DFADHO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000338143705 427157137 /nfs/dbraw/zinc/15/71/37/427157137.db2.gz NRQOPHQZZXRCOA-OOXMNIKJSA-N 1 3 308.853 2.790 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc1)C1CC1 ZINC000158266348 271074263 /nfs/dbraw/zinc/07/42/63/271074263.db2.gz UNSAGVCNUYGBNP-IBGZPJMESA-N 1 3 317.477 2.774 20 0 DFADHO C[NH+]1CCC([C@H]2CCN(Cc3cccc4c3OCCO4)C2)CC1 ZINC000270473614 271293241 /nfs/dbraw/zinc/29/32/41/271293241.db2.gz NKHZKRLDYKXWRN-INIZCTEOSA-N 1 3 316.445 2.622 20 0 DFADHO c1ccc([C@@H]2OCC[C@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000253336059 427199551 /nfs/dbraw/zinc/19/95/51/427199551.db2.gz HWUKPECPGOSWPY-RDGPPVDQSA-N 1 3 300.446 2.981 20 0 DFADHO c1ccc([C@@H]2OCC[C@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000253336059 427199558 /nfs/dbraw/zinc/19/95/58/427199558.db2.gz HWUKPECPGOSWPY-RDGPPVDQSA-N 1 3 300.446 2.981 20 0 DFADHO CC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1nccn1C ZINC000183160692 427214188 /nfs/dbraw/zinc/21/41/88/427214188.db2.gz RZZGJVNJOJHVKQ-QGZVFWFLSA-N 1 3 313.449 2.772 20 0 DFADHO Cc1nn(-c2ccccn2)c(Cl)c1CNCCCC[NH+](C)C ZINC000285397677 427220634 /nfs/dbraw/zinc/22/06/34/427220634.db2.gz IALNPILSMKOXJN-UHFFFAOYSA-N 1 3 321.856 2.661 20 0 DFADHO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000183199731 427220734 /nfs/dbraw/zinc/22/07/34/427220734.db2.gz BSAUCOLVGGGOKL-KHYOSLBOSA-N 1 3 312.461 2.999 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@H]1CCCC(F)(F)C1 ZINC000338284018 427234963 /nfs/dbraw/zinc/23/49/63/427234963.db2.gz JBYROFVWVCECCE-JJXSEGSLSA-N 1 3 316.436 2.995 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cccc(F)c1F ZINC000183279978 427237953 /nfs/dbraw/zinc/23/79/53/427237953.db2.gz JWBPBFGIKUUYDH-CHWSQXEVSA-N 1 3 300.393 2.972 20 0 DFADHO Cc1nccn1CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285540347 427267193 /nfs/dbraw/zinc/26/71/93/427267193.db2.gz LOIBPSIWSORXKD-HXUWFJFHSA-N 1 3 324.472 2.790 20 0 DFADHO Cc1nccn1CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285540347 427267198 /nfs/dbraw/zinc/26/71/98/427267198.db2.gz LOIBPSIWSORXKD-HXUWFJFHSA-N 1 3 324.472 2.790 20 0 DFADHO Cc1nccn1CC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285540347 427267204 /nfs/dbraw/zinc/26/72/04/427267204.db2.gz LOIBPSIWSORXKD-HXUWFJFHSA-N 1 3 324.472 2.790 20 0 DFADHO Cc1nccn1CC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285540347 427267212 /nfs/dbraw/zinc/26/72/12/427267212.db2.gz LOIBPSIWSORXKD-HXUWFJFHSA-N 1 3 324.472 2.790 20 0 DFADHO CCN(CC)CCC[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000338367556 427281591 /nfs/dbraw/zinc/28/15/91/427281591.db2.gz UICGCBOHBQJZNS-LJQANCHMSA-N 1 3 304.478 2.788 20 0 DFADHO CCN(CC)CCC[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000338367556 427281600 /nfs/dbraw/zinc/28/16/00/427281600.db2.gz UICGCBOHBQJZNS-LJQANCHMSA-N 1 3 304.478 2.788 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000285744921 427325683 /nfs/dbraw/zinc/32/56/83/427325683.db2.gz RIZZBIQRGBBLIU-ZBFHGGJFSA-N 1 3 320.477 2.875 20 0 DFADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000338446154 427326817 /nfs/dbraw/zinc/32/68/17/427326817.db2.gz SEVAHVKKOVIXOE-CRAIPNDOSA-N 1 3 312.461 2.968 20 0 DFADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000338446154 427326822 /nfs/dbraw/zinc/32/68/22/427326822.db2.gz SEVAHVKKOVIXOE-CRAIPNDOSA-N 1 3 312.461 2.968 20 0 DFADHO CC(C)c1ccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000262076817 427350843 /nfs/dbraw/zinc/35/08/43/427350843.db2.gz SSFSQJDYZSYKCS-GOSISDBHSA-N 1 3 317.477 2.630 20 0 DFADHO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCCN(CC)CC)C1 ZINC000191462678 427355886 /nfs/dbraw/zinc/35/58/86/427355886.db2.gz CEDKHAJYSHOWLA-SJORKVTESA-N 1 3 311.514 2.735 20 0 DFADHO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCCN(CC)CC)C1 ZINC000191462678 427355891 /nfs/dbraw/zinc/35/58/91/427355891.db2.gz CEDKHAJYSHOWLA-SJORKVTESA-N 1 3 311.514 2.735 20 0 DFADHO C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000286073573 427418060 /nfs/dbraw/zinc/41/80/60/427418060.db2.gz LERCVDCGDRRSTO-XGXHKWSGSA-N 1 3 302.462 2.648 20 0 DFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)C1 ZINC000262675492 427366256 /nfs/dbraw/zinc/36/62/56/427366256.db2.gz RRDZCLMARPOORL-SOLBZPMBSA-N 1 3 317.477 2.513 20 0 DFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)C1 ZINC000262675492 427366263 /nfs/dbraw/zinc/36/62/63/427366263.db2.gz RRDZCLMARPOORL-SOLBZPMBSA-N 1 3 317.477 2.513 20 0 DFADHO CO[C@H](C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C1CC1 ZINC000293840139 427456164 /nfs/dbraw/zinc/45/61/64/427456164.db2.gz XRWPMZFZKINHSA-RDTXWAMCSA-N 1 3 306.450 2.703 20 0 DFADHO Cc1nccn1C[C@@H]1CCCN1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000271249980 427466972 /nfs/dbraw/zinc/46/69/72/427466972.db2.gz DRCHMUDSUGOUSH-PMACEKPBSA-N 1 3 324.472 2.930 20 0 DFADHO Cc1nccn1C[C@@H]1CCCN1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271249980 427466979 /nfs/dbraw/zinc/46/69/79/427466979.db2.gz DRCHMUDSUGOUSH-PMACEKPBSA-N 1 3 324.472 2.930 20 0 DFADHO COC(=O)c1csc([C@@H](C)NCCC2CC[NH+](C)CC2)c1 ZINC000286087118 427421657 /nfs/dbraw/zinc/42/16/57/427421657.db2.gz MODMTZQPAGLGLN-GFCCVEGCSA-N 1 3 310.463 2.917 20 0 DFADHO CC[C@H](C)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286086328 427422122 /nfs/dbraw/zinc/42/21/22/427422122.db2.gz SPDVDIPHJWXIFX-AZUAARDMSA-N 1 3 315.505 2.925 20 0 DFADHO CC[C@H](C)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286086328 427422127 /nfs/dbraw/zinc/42/21/27/427422127.db2.gz SPDVDIPHJWXIFX-AZUAARDMSA-N 1 3 315.505 2.925 20 0 DFADHO C[C@@H]1C[C@@H](NCCc2cc(C(F)(F)F)ccn2)CC[N@@H+]1C ZINC000293755411 427427063 /nfs/dbraw/zinc/42/70/63/427427063.db2.gz QRCDMKIUTYXMHL-RISCZKNCSA-N 1 3 301.356 2.715 20 0 DFADHO C[C@@H]1C[C@@H](NCCc2cc(C(F)(F)F)ccn2)CC[N@H+]1C ZINC000293755411 427427072 /nfs/dbraw/zinc/42/70/72/427427072.db2.gz QRCDMKIUTYXMHL-RISCZKNCSA-N 1 3 301.356 2.715 20 0 DFADHO COc1cccc(OC)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000286128310 427432445 /nfs/dbraw/zinc/43/24/45/427432445.db2.gz VAHBTEMTVNPGQP-UHFFFAOYSA-N 1 3 304.434 2.668 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCN(c2ccnc3ccccc32)CC1 ZINC000297714272 427436072 /nfs/dbraw/zinc/43/60/72/427436072.db2.gz RFUAXUWWFSASGY-QGZVFWFLSA-N 1 3 324.472 2.841 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCN(c2ccnc3ccccc32)CC1 ZINC000297714272 427436079 /nfs/dbraw/zinc/43/60/79/427436079.db2.gz RFUAXUWWFSASGY-QGZVFWFLSA-N 1 3 324.472 2.841 20 0 DFADHO CC(C)CN1CCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297723069 427438220 /nfs/dbraw/zinc/43/82/20/427438220.db2.gz RXQMWRNKZAUCNP-LJQANCHMSA-N 1 3 316.493 2.760 20 0 DFADHO CCC[C@@](C)(N)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000263250069 427446283 /nfs/dbraw/zinc/44/62/83/427446283.db2.gz JGZDRLSGBONASK-GOSISDBHSA-N 1 3 305.466 2.661 20 0 DFADHO CCC[C@@](C)(N)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000263250069 427446295 /nfs/dbraw/zinc/44/62/95/427446295.db2.gz JGZDRLSGBONASK-GOSISDBHSA-N 1 3 305.466 2.661 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2CCF)ccn1 ZINC000286318459 427491016 /nfs/dbraw/zinc/49/10/16/427491016.db2.gz XUQNUOURYBHDLN-HZPDHXFCSA-N 1 3 309.429 2.640 20 0 DFADHO c1cc(N2CCC([NH2+]C[C@@H]3CCCCN3C3CC3)CC2)ccn1 ZINC000298048525 427509668 /nfs/dbraw/zinc/50/96/68/427509668.db2.gz IHPMRGOLAXBVEH-IBGZPJMESA-N 1 3 314.477 2.657 20 0 DFADHO c1ccc2c(c1)CCN(CCC[NH2+]C1CCN(C3CC3)CC1)C2 ZINC000298218883 427537352 /nfs/dbraw/zinc/53/73/52/427537352.db2.gz AFKLQZPIKUPBML-UHFFFAOYSA-N 1 3 313.489 2.651 20 0 DFADHO c1ccc(CN2CC[C@H](N3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000271437396 427539403 /nfs/dbraw/zinc/53/94/03/427539403.db2.gz RCASYOLNUQGKCW-VQTJNVASSA-N 1 3 313.489 2.821 20 0 DFADHO CC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000339008965 427621313 /nfs/dbraw/zinc/62/13/13/427621313.db2.gz DOGLRPMVCKUDJR-MOPGFXCFSA-N 1 3 302.462 2.745 20 0 DFADHO CC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000339008965 427621319 /nfs/dbraw/zinc/62/13/19/427621319.db2.gz DOGLRPMVCKUDJR-MOPGFXCFSA-N 1 3 302.462 2.745 20 0 DFADHO Cc1ccc2c(c1)[C@H](NC1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CC2 ZINC000271485088 427557537 /nfs/dbraw/zinc/55/75/37/427557537.db2.gz JORIRVZXUZRQRW-VAMGGRTRSA-N 1 3 314.473 2.950 20 0 DFADHO Cc1ccc2c(c1)[C@H](NC1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CC2 ZINC000271485085 427559354 /nfs/dbraw/zinc/55/93/54/427559354.db2.gz JORIRVZXUZRQRW-AQNXPRMDSA-N 1 3 314.473 2.950 20 0 DFADHO c1cncc([C@H]2OCC[C@@H]2[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000294144601 427562430 /nfs/dbraw/zinc/56/24/30/427562430.db2.gz GSGAREPIJHGHCS-RBUKOAKNSA-N 1 3 324.428 2.565 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@@H]1NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000271513522 427566598 /nfs/dbraw/zinc/56/65/98/427566598.db2.gz ODJMHFBOUSADMA-ZVEHZALQSA-N 1 3 314.473 2.887 20 0 DFADHO CC(C)C[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)N(C)C ZINC000294165642 427571649 /nfs/dbraw/zinc/57/16/49/427571649.db2.gz IUEFRAUIOSQKGC-GOSISDBHSA-N 1 3 304.482 2.616 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000332305793 427574215 /nfs/dbraw/zinc/57/42/15/427574215.db2.gz MVSVCKSGCBTIDQ-UHFFFAOYSA-N 1 3 316.449 2.546 20 0 DFADHO CCC(CC)(CC)[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000184987268 427575180 /nfs/dbraw/zinc/57/51/80/427575180.db2.gz RPTGVDSVADUMJT-QGZVFWFLSA-N 1 3 319.493 2.964 20 0 DFADHO COC1(CC[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000338952822 427583450 /nfs/dbraw/zinc/58/34/50/427583450.db2.gz DZEBNWHFQNQEQE-IRXDYDNUSA-N 1 3 324.509 2.767 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000271865932 427592697 /nfs/dbraw/zinc/59/26/97/427592697.db2.gz LLEQZWALNBWPFF-PXNSSMCTSA-N 1 3 313.489 2.749 20 0 DFADHO C[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCC[C@H](C)C1 ZINC000298434681 427606361 /nfs/dbraw/zinc/60/63/61/427606361.db2.gz NEVXBUDGECUHQU-DLBZAZTESA-N 1 3 316.493 2.760 20 0 DFADHO CC(C)Oc1cccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000192876504 427626990 /nfs/dbraw/zinc/62/69/90/427626990.db2.gz IGEVWRFRBLVUAR-PHSGOXPASA-N 1 3 318.461 2.722 20 0 DFADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000294719303 427647292 /nfs/dbraw/zinc/64/72/92/427647292.db2.gz BRVZHXWITNZJPK-FUHWJXTLSA-N 1 3 317.477 2.636 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cn3cccnc3n2)C1 ZINC000298561912 427647245 /nfs/dbraw/zinc/64/72/45/427647245.db2.gz WBEQGSCKYCEUMY-IYBDPMFKSA-N 1 3 315.465 2.577 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cn3cccnc3n2)C1 ZINC000298561912 427647250 /nfs/dbraw/zinc/64/72/50/427647250.db2.gz WBEQGSCKYCEUMY-IYBDPMFKSA-N 1 3 315.465 2.577 20 0 DFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2sccc2Cl)CC1 ZINC000193085455 427663065 /nfs/dbraw/zinc/66/30/65/427663065.db2.gz WRSFTDIYYFKBIH-CYBMUJFWSA-N 1 3 315.914 2.765 20 0 DFADHO CC(C)[C@H](C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)N1CCCCC1 ZINC000342749303 272049524 /nfs/dbraw/zinc/04/95/24/272049524.db2.gz YSGWLNHASVJWIP-RCCFBDPRSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000342763362 272052187 /nfs/dbraw/zinc/05/21/87/272052187.db2.gz ZJJNQEZPRIHCHJ-DLBZAZTESA-N 1 3 321.509 2.584 20 0 DFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1cc(Cl)cs1 ZINC000193097183 427666389 /nfs/dbraw/zinc/66/63/89/427666389.db2.gz HTFMNGMMGAYAJM-CYBMUJFWSA-N 1 3 302.871 2.728 20 0 DFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1cc(Cl)cs1 ZINC000193097183 427666395 /nfs/dbraw/zinc/66/63/95/427666395.db2.gz HTFMNGMMGAYAJM-CYBMUJFWSA-N 1 3 302.871 2.728 20 0 DFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1sccc1Cl ZINC000193097135 427667168 /nfs/dbraw/zinc/66/71/68/427667168.db2.gz RJPQAVCOROYBIP-LBPRGKRZSA-N 1 3 302.871 2.728 20 0 DFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1sccc1Cl ZINC000193097135 427667169 /nfs/dbraw/zinc/66/71/69/427667169.db2.gz RJPQAVCOROYBIP-LBPRGKRZSA-N 1 3 302.871 2.728 20 0 DFADHO CC(C)[NH+](CCCNC[C@@H]1CCO[C@H]1c1ccnn1C)C(C)C ZINC000343351825 272125506 /nfs/dbraw/zinc/12/55/06/272125506.db2.gz DTTNWKFIPFVROO-FUHWJXTLSA-N 1 3 322.497 2.596 20 0 DFADHO CC(C)[NH+](CCCNC[C@H]1CCO[C@@H]1c1ccnn1C)C(C)C ZINC000343351824 272125920 /nfs/dbraw/zinc/12/59/20/272125920.db2.gz DTTNWKFIPFVROO-AEFFLSMTSA-N 1 3 322.497 2.596 20 0 DFADHO CN(CCCc1ccc2c(c1)CCO2)CCC[NH+]1CCCC1 ZINC000343600972 272180642 /nfs/dbraw/zinc/18/06/42/272180642.db2.gz IXWPHJFUYHQJCN-UHFFFAOYSA-N 1 3 302.462 2.972 20 0 DFADHO C[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)CN1CCCC1 ZINC000193272288 427680850 /nfs/dbraw/zinc/68/08/50/427680850.db2.gz UWZGCIGAHRQECO-MRXNPFEDSA-N 1 3 302.462 2.876 20 0 DFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1cccc(C)c1 ZINC000344149818 272274630 /nfs/dbraw/zinc/27/46/30/272274630.db2.gz RXKDIWVCLUANGU-UHFFFAOYSA-N 1 3 303.494 2.845 20 0 DFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1cccc(C)c1 ZINC000344149818 272274632 /nfs/dbraw/zinc/27/46/32/272274632.db2.gz RXKDIWVCLUANGU-UHFFFAOYSA-N 1 3 303.494 2.845 20 0 DFADHO C[C@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)N1CCCCCC1 ZINC000344593463 272343271 /nfs/dbraw/zinc/34/32/71/272343271.db2.gz DLJCKLORWQKHKZ-SJLPKXTDSA-N 1 3 323.525 2.878 20 0 DFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000344662693 272353596 /nfs/dbraw/zinc/35/35/96/272353596.db2.gz KFVCWYUIEZAZRK-DLBZAZTESA-N 1 3 321.509 2.630 20 0 DFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000344662693 272353597 /nfs/dbraw/zinc/35/35/97/272353597.db2.gz KFVCWYUIEZAZRK-DLBZAZTESA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H]([NH2+]C[C@H](O)c1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185678192 427689810 /nfs/dbraw/zinc/68/98/10/427689810.db2.gz XZELOUXRFLMRIM-IEZWGBDMSA-N 1 3 302.462 2.963 20 0 DFADHO Cc1cc(Cl)cc(C[NH2+]C2CCN(CCN(C)C)CC2)c1 ZINC000339181103 427719171 /nfs/dbraw/zinc/71/91/71/427719171.db2.gz MYVHVWQHISVPDV-UHFFFAOYSA-N 1 3 309.885 2.764 20 0 DFADHO NC(=O)c1ccc(C[N@H+](CCCN2CCCCC2)C2CC2)cc1 ZINC000299153809 427755929 /nfs/dbraw/zinc/75/59/29/427755929.db2.gz ZMDGYWBUURDLQR-UHFFFAOYSA-N 1 3 315.461 2.626 20 0 DFADHO NC(=O)c1ccc(C[N@@H+](CCCN2CCCCC2)C2CC2)cc1 ZINC000299153809 427755931 /nfs/dbraw/zinc/75/59/31/427755931.db2.gz ZMDGYWBUURDLQR-UHFFFAOYSA-N 1 3 315.461 2.626 20 0 DFADHO Cc1nccn1CCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000336856186 427761431 /nfs/dbraw/zinc/76/14/31/427761431.db2.gz KWCLSKHWBGOCHD-GOSISDBHSA-N 1 3 304.482 2.635 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](N)CC1CCCCC1 ZINC000336863071 427765282 /nfs/dbraw/zinc/76/52/82/427765282.db2.gz HSJKAFZDYQQUJN-RDJZCZTQSA-N 1 3 311.514 2.911 20 0 DFADHO Cc1ccc(CCC[N@@H+]2C[C@@H](CN)[C@@H](c3ccccc3)C2)cn1 ZINC000339406881 427769228 /nfs/dbraw/zinc/76/92/28/427769228.db2.gz GZVHKZMOQWSACR-WOJBJXKFSA-N 1 3 309.457 2.997 20 0 DFADHO Cc1ccc(CCC[N@H+]2C[C@@H](CN)[C@@H](c3ccccc3)C2)cn1 ZINC000339406881 427769230 /nfs/dbraw/zinc/76/92/30/427769230.db2.gz GZVHKZMOQWSACR-WOJBJXKFSA-N 1 3 309.457 2.997 20 0 DFADHO CCN(CCCN1CC[C@@]2(C1)CCC[N@H+](C)C2)CC(F)(F)F ZINC000339427686 427773190 /nfs/dbraw/zinc/77/31/90/427773190.db2.gz JGNAOOPJYNZONK-HNNXBMFYSA-N 1 3 321.431 2.678 20 0 DFADHO CCN(CCCN1CC[C@@]2(C1)CCC[N@@H+](C)C2)CC(F)(F)F ZINC000339427686 427773192 /nfs/dbraw/zinc/77/31/92/427773192.db2.gz JGNAOOPJYNZONK-HNNXBMFYSA-N 1 3 321.431 2.678 20 0 DFADHO C[C@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000339439573 427775782 /nfs/dbraw/zinc/77/57/82/427775782.db2.gz XAKCBIWQGXEAPY-BRWVUGGUSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000339439573 427775785 /nfs/dbraw/zinc/77/57/85/427775785.db2.gz XAKCBIWQGXEAPY-BRWVUGGUSA-N 1 3 321.509 2.582 20 0 DFADHO COc1cc2nccc(N3C[C@H]([NH+](C)C)[C@@H](C)C3)c2cc1OC ZINC000299029089 427741362 /nfs/dbraw/zinc/74/13/62/427741362.db2.gz TUTQDZHTWROJQG-LRDDRELGSA-N 1 3 315.417 2.638 20 0 DFADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@@H]1CCOC1 ZINC000336656112 427745778 /nfs/dbraw/zinc/74/57/78/427745778.db2.gz KQHWMTLLADATQW-CJSSEVFESA-N 1 3 314.473 2.912 20 0 DFADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@@H]1CCOC1 ZINC000336656117 427746187 /nfs/dbraw/zinc/74/61/87/427746187.db2.gz KQHWMTLLADATQW-FAJAVTLNSA-N 1 3 314.473 2.912 20 0 DFADHO OC(CN1CC[C@H](CC2CC2)C1)C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339675106 427810161 /nfs/dbraw/zinc/81/01/61/427810161.db2.gz CCMUGFYTVXNGNO-QZTJIDSGSA-N 1 3 306.494 2.591 20 0 DFADHO OC(CN1CC[C@H](CC2CC2)C1)C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339675106 427810165 /nfs/dbraw/zinc/81/01/65/427810165.db2.gz CCMUGFYTVXNGNO-QZTJIDSGSA-N 1 3 306.494 2.591 20 0 DFADHO OC(CN1CC[C@@H](CC2CC2)C1)C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339675109 427810336 /nfs/dbraw/zinc/81/03/36/427810336.db2.gz CCMUGFYTVXNGNO-ROUUACIJSA-N 1 3 306.494 2.591 20 0 DFADHO OC(CN1CC[C@@H](CC2CC2)C1)C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339675109 427810338 /nfs/dbraw/zinc/81/03/38/427810338.db2.gz CCMUGFYTVXNGNO-ROUUACIJSA-N 1 3 306.494 2.591 20 0 DFADHO CCSc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000339685718 427811710 /nfs/dbraw/zinc/81/17/10/427811710.db2.gz GGZJVCUPCCRCSJ-GDBMZVCRSA-N 1 3 308.491 2.906 20 0 DFADHO C[N@H+](CCCOc1ccc2c(c1)OCO2)CCCN1CCCC1 ZINC000337272701 427828919 /nfs/dbraw/zinc/82/89/19/427828919.db2.gz OPWDMFOPQTTWDZ-UHFFFAOYSA-N 1 3 320.433 2.602 20 0 DFADHO C[N@@H+](CCCOc1ccc2c(c1)OCO2)CCCN1CCCC1 ZINC000337272701 427828921 /nfs/dbraw/zinc/82/89/21/427828921.db2.gz OPWDMFOPQTTWDZ-UHFFFAOYSA-N 1 3 320.433 2.602 20 0 DFADHO CCc1cnccc1[C@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000337312023 427838534 /nfs/dbraw/zinc/83/85/34/427838534.db2.gz DKZQJWZPBSOZRE-KRWDZBQOSA-N 1 3 318.509 2.711 20 0 DFADHO CCCN(C)CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000345673537 427854069 /nfs/dbraw/zinc/85/40/69/427854069.db2.gz HUKSBATVQFWROP-HNNXBMFYSA-N 1 3 305.466 2.574 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000359587545 427925478 /nfs/dbraw/zinc/92/54/78/427925478.db2.gz FCILMUGATARLKM-IRXDYDNUSA-N 1 3 316.489 2.569 20 0 DFADHO C[C@H](O)C[N@H+](C)C1CCN(C[C@H]2CCc3ccccc3C2)CC1 ZINC000359587545 427925483 /nfs/dbraw/zinc/92/54/83/427925483.db2.gz FCILMUGATARLKM-IRXDYDNUSA-N 1 3 316.489 2.569 20 0 DFADHO C[C@H](O)C[N@@H+](C)C1CCN(C[C@H]2CCc3ccccc3C2)CC1 ZINC000359587545 427925485 /nfs/dbraw/zinc/92/54/85/427925485.db2.gz FCILMUGATARLKM-IRXDYDNUSA-N 1 3 316.489 2.569 20 0 DFADHO CC[C@H](C(=O)NC[C@H](c1ccc(C)cc1)N(C)C)[NH+](CC)CC ZINC000345815550 427918529 /nfs/dbraw/zinc/91/85/29/427918529.db2.gz WHBALRDGNKQADL-QZTJIDSGSA-N 1 3 319.493 2.834 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(CC)C2)[C@@H]1Oc1ccccc1 ZINC000359660901 427960595 /nfs/dbraw/zinc/96/05/95/427960595.db2.gz MMEWTQYUGRGFCM-KANFNMMFSA-N 1 3 318.461 2.543 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)[C@@H](C)N1CCCCCC1 ZINC000345950570 427962784 /nfs/dbraw/zinc/96/27/84/427962784.db2.gz KGNLOWFFMKXPNZ-QGZVFWFLSA-N 1 3 311.514 2.879 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)CCN1C ZINC000340262694 427969433 /nfs/dbraw/zinc/96/94/33/427969433.db2.gz ZVHDSLNOBZWRGE-NXWXRZEISA-N 1 3 301.478 2.894 20 0 DFADHO C[C@H]1C[NH+](CC2CCN(CCc3cscn3)CC2)C[C@H](C)O1 ZINC000340282492 427976139 /nfs/dbraw/zinc/97/61/39/427976139.db2.gz KSHWZABRERUOIJ-GJZGRUSLSA-N 1 3 323.506 2.507 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000359726673 427991196 /nfs/dbraw/zinc/99/11/96/427991196.db2.gz YWTXQNJGGRDWGH-SFHVURJKSA-N 1 3 323.525 2.975 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000359726673 427991202 /nfs/dbraw/zinc/99/12/02/427991202.db2.gz YWTXQNJGGRDWGH-SFHVURJKSA-N 1 3 323.525 2.975 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000347529712 272798858 /nfs/dbraw/zinc/79/88/58/272798858.db2.gz QXGANHZLBSLDRX-CQSZACIVSA-N 1 3 305.466 2.531 20 0 DFADHO C[C@H]1C[N@H+](C/C=C/c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000369767853 428057139 /nfs/dbraw/zinc/05/71/39/428057139.db2.gz UWYJDVFHZKYBDF-ULXJXQFFSA-N 1 3 313.489 2.658 20 0 DFADHO C[C@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000369767853 428057146 /nfs/dbraw/zinc/05/71/46/428057146.db2.gz UWYJDVFHZKYBDF-ULXJXQFFSA-N 1 3 313.489 2.658 20 0 DFADHO COc1cc2nccc(N[C@@H]3CCC[N@H+](C)[C@H]3C)c2cc1OC ZINC000413233379 427998106 /nfs/dbraw/zinc/99/81/06/427998106.db2.gz DFIJDQHLSFGCLA-GXTWGEPZSA-N 1 3 315.417 2.569 20 0 DFADHO COc1cc2nccc(N[C@@H]3CCC[N@@H+](C)[C@H]3C)c2cc1OC ZINC000413233379 427998110 /nfs/dbraw/zinc/99/81/10/427998110.db2.gz DFIJDQHLSFGCLA-GXTWGEPZSA-N 1 3 315.417 2.569 20 0 DFADHO COC1(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CCCCC1 ZINC000359741125 428001255 /nfs/dbraw/zinc/00/12/55/428001255.db2.gz GFFWHPKKFVPGOA-IRXDYDNUSA-N 1 3 312.498 2.815 20 0 DFADHO CC1=C[C@@H](C)C[C@H](CN2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000356054968 428003323 /nfs/dbraw/zinc/00/33/23/428003323.db2.gz BZAYUGHXSUKZOK-MJGOQNOKSA-N 1 3 305.510 2.692 20 0 DFADHO CC1=C[C@H](C)C[C@@H](CN2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000356054970 428003735 /nfs/dbraw/zinc/00/37/35/428003735.db2.gz BZAYUGHXSUKZOK-PKOBYXMFSA-N 1 3 305.510 2.692 20 0 DFADHO C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)N1CCCCCC1 ZINC000346225521 428078249 /nfs/dbraw/zinc/07/82/49/428078249.db2.gz ULWIUZAVDIQZEE-IAGOWNOFSA-N 1 3 309.498 2.584 20 0 DFADHO C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)N1CCCCCC1 ZINC000346225521 428078251 /nfs/dbraw/zinc/07/82/51/428078251.db2.gz ULWIUZAVDIQZEE-IAGOWNOFSA-N 1 3 309.498 2.584 20 0 DFADHO Cc1c(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cnn1C ZINC000377338416 428109099 /nfs/dbraw/zinc/10/90/99/428109099.db2.gz XKNZMTRHQVLVOH-QUCCMNQESA-N 1 3 324.472 2.682 20 0 DFADHO Cc1c(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cnn1C ZINC000377338416 428109102 /nfs/dbraw/zinc/10/91/02/428109102.db2.gz XKNZMTRHQVLVOH-QUCCMNQESA-N 1 3 324.472 2.682 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000351864651 428116480 /nfs/dbraw/zinc/11/64/80/428116480.db2.gz YTBADYOSXAQKJQ-RDJZCZTQSA-N 1 3 311.429 2.830 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000360027744 428126284 /nfs/dbraw/zinc/12/62/84/428126284.db2.gz OEDUBXUFULEGOL-RDJZCZTQSA-N 1 3 318.461 2.805 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000360027744 428126287 /nfs/dbraw/zinc/12/62/87/428126287.db2.gz OEDUBXUFULEGOL-RDJZCZTQSA-N 1 3 318.461 2.805 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C[C@H]1C ZINC000346346623 428136923 /nfs/dbraw/zinc/13/69/23/428136923.db2.gz XHYPTOSUIVEJBK-IKGGRYGDSA-N 1 3 309.498 2.582 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C[C@H]1C ZINC000346346623 428136928 /nfs/dbraw/zinc/13/69/28/428136928.db2.gz XHYPTOSUIVEJBK-IKGGRYGDSA-N 1 3 309.498 2.582 20 0 DFADHO NCCC[N@@H+](Cc1ccc(-n2cncn2)cc1)CC1CCCC1 ZINC000352541483 428141671 /nfs/dbraw/zinc/14/16/71/428141671.db2.gz YJFNNYCDMAVWKJ-UHFFFAOYSA-N 1 3 313.449 2.608 20 0 DFADHO NCCC[N@H+](Cc1ccc(-n2cncn2)cc1)CC1CCCC1 ZINC000352541483 428141677 /nfs/dbraw/zinc/14/16/77/428141677.db2.gz YJFNNYCDMAVWKJ-UHFFFAOYSA-N 1 3 313.449 2.608 20 0 DFADHO [NH3+]CCCN(Cc1ccc(-n2cncn2)cc1)CC1CCCC1 ZINC000352541483 428141684 /nfs/dbraw/zinc/14/16/84/428141684.db2.gz YJFNNYCDMAVWKJ-UHFFFAOYSA-N 1 3 313.449 2.608 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000360040548 428129808 /nfs/dbraw/zinc/12/98/08/428129808.db2.gz UHYJHXGWALZUCE-UXPWSPDFSA-N 1 3 315.505 2.827 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000346387863 428150846 /nfs/dbraw/zinc/15/08/46/428150846.db2.gz OSQRMTOIHXPNMR-CRAIPNDOSA-N 1 3 317.477 2.693 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000346387863 428150851 /nfs/dbraw/zinc/15/08/51/428150851.db2.gz OSQRMTOIHXPNMR-CRAIPNDOSA-N 1 3 317.477 2.693 20 0 DFADHO CN1CC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1cccs1 ZINC000370164694 428148323 /nfs/dbraw/zinc/14/83/23/428148323.db2.gz XYOCDCFMJRRXLR-SWLSCSKDSA-N 1 3 315.446 2.772 20 0 DFADHO CCCNC(=[NH2+])NC[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000370167566 428148598 /nfs/dbraw/zinc/14/85/98/428148598.db2.gz QZNNQKSOFIBSSC-UKRRQHHQSA-N 1 3 308.857 2.857 20 0 DFADHO CC(C)NC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000360138539 428177661 /nfs/dbraw/zinc/17/76/61/428177661.db2.gz FTNOUPSNVMSOQX-RHSMWYFYSA-N 1 3 318.465 2.646 20 0 DFADHO CC(C)NC(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000360138539 428177666 /nfs/dbraw/zinc/17/76/66/428177666.db2.gz FTNOUPSNVMSOQX-RHSMWYFYSA-N 1 3 318.465 2.646 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000414110574 428207434 /nfs/dbraw/zinc/20/74/34/428207434.db2.gz ICNNAIUFIPRLRD-HOCLYGCPSA-N 1 3 303.450 2.628 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CC[N@H+](C3CCCC3)C2)cn1 ZINC000414110574 428207440 /nfs/dbraw/zinc/20/74/40/428207440.db2.gz ICNNAIUFIPRLRD-HOCLYGCPSA-N 1 3 303.450 2.628 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@H]1C ZINC000414116833 428210289 /nfs/dbraw/zinc/21/02/89/428210289.db2.gz RMCWCIFIWJTVMH-ZRGWGRIASA-N 1 3 302.462 2.777 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cn1 ZINC000414124202 428211367 /nfs/dbraw/zinc/21/13/67/428211367.db2.gz PFNULSHGRKVQOZ-DOTOQJQBSA-N 1 3 305.466 2.731 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000414124202 428211373 /nfs/dbraw/zinc/21/13/73/428211373.db2.gz PFNULSHGRKVQOZ-DOTOQJQBSA-N 1 3 305.466 2.731 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000414124202 428211382 /nfs/dbraw/zinc/21/13/82/428211382.db2.gz PFNULSHGRKVQOZ-DOTOQJQBSA-N 1 3 305.466 2.731 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)cn1 ZINC000414124924 428211437 /nfs/dbraw/zinc/21/14/37/428211437.db2.gz CKLYCCNTVAMJQM-JKSUJKDBSA-N 1 3 305.466 2.875 20 0 DFADHO COc1ccc(C[C@H](C)NCC[C@@H](C)[NH+]2CCCCC2)cn1 ZINC000414124924 428211443 /nfs/dbraw/zinc/21/14/43/428211443.db2.gz CKLYCCNTVAMJQM-JKSUJKDBSA-N 1 3 305.466 2.875 20 0 DFADHO Cc1cn[nH]c1CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000377764857 428223202 /nfs/dbraw/zinc/22/32/02/428223202.db2.gz ZKTXPZHILCVTBK-KZNAEPCWSA-N 1 3 310.445 2.718 20 0 DFADHO Cc1cn[nH]c1CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000377764857 428223205 /nfs/dbraw/zinc/22/32/05/428223205.db2.gz ZKTXPZHILCVTBK-KZNAEPCWSA-N 1 3 310.445 2.718 20 0 DFADHO Cc1cc([C@@H](C)NCC2(N3CCCCC3)CC[NH+](C)CC2)no1 ZINC000377807390 428233356 /nfs/dbraw/zinc/23/33/56/428233356.db2.gz QLMDYUGLQYOLQT-MRXNPFEDSA-N 1 3 320.481 2.584 20 0 DFADHO Cc1cc([C@@H](C)NCC2([NH+]3CCCCC3)CCN(C)CC2)no1 ZINC000377807390 428233361 /nfs/dbraw/zinc/23/33/61/428233361.db2.gz QLMDYUGLQYOLQT-MRXNPFEDSA-N 1 3 320.481 2.584 20 0 DFADHO CC1CC[NH+](CCCCNCc2ncc(CN(C)C)s2)CC1 ZINC000352766854 428237060 /nfs/dbraw/zinc/23/70/60/428237060.db2.gz AWXYOLPSEGRHHQ-UHFFFAOYSA-N 1 3 324.538 2.806 20 0 DFADHO Cc1nc2c(n1[C@H]1CC[N@H+](CCN3CCCCC3)C1)CCCC2 ZINC000346523796 428204298 /nfs/dbraw/zinc/20/42/98/428204298.db2.gz FQDTZFFJMFIRHY-KRWDZBQOSA-N 1 3 316.493 2.803 20 0 DFADHO Cc1nc2c(n1[C@H]1CC[N@@H+](CCN3CCCCC3)C1)CCCC2 ZINC000346523796 428204301 /nfs/dbraw/zinc/20/43/01/428204301.db2.gz FQDTZFFJMFIRHY-KRWDZBQOSA-N 1 3 316.493 2.803 20 0 DFADHO CCOc1ccc(CN2CCC(CC[NH2+]C)CC2)cc1OC ZINC000346683609 428272041 /nfs/dbraw/zinc/27/20/41/428272041.db2.gz PKVJUNAJSFESFP-UHFFFAOYSA-N 1 3 306.450 2.915 20 0 DFADHO Cc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)c1 ZINC000370706671 428279216 /nfs/dbraw/zinc/27/92/16/428279216.db2.gz CCVVOHMTZNQXGA-AZUAARDMSA-N 1 3 315.505 2.761 20 0 DFADHO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000370709063 428280861 /nfs/dbraw/zinc/28/08/61/428280861.db2.gz IMGHEMABMJDVMB-VQIMIIECSA-N 1 3 319.468 2.592 20 0 DFADHO Cc1cc(F)ccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000370709063 428280865 /nfs/dbraw/zinc/28/08/65/428280865.db2.gz IMGHEMABMJDVMB-VQIMIIECSA-N 1 3 319.468 2.592 20 0 DFADHO [NH3+]CCCOC1CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000346645862 428253575 /nfs/dbraw/zinc/25/35/75/428253575.db2.gz FLOVZODAQZFFAS-UHFFFAOYSA-N 1 3 314.376 2.618 20 0 DFADHO C[NH2+]CCC1CCN(Cc2cccc(OCCOC)c2)CC1 ZINC000346643337 428253587 /nfs/dbraw/zinc/25/35/87/428253587.db2.gz CTZMVHWIGKIAPR-UHFFFAOYSA-N 1 3 306.450 2.533 20 0 DFADHO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)s1 ZINC000370625427 428258021 /nfs/dbraw/zinc/25/80/21/428258021.db2.gz XSNHHIRFSJMKDK-HUUCEWRRSA-N 1 3 307.507 2.876 20 0 DFADHO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370635750 428260750 /nfs/dbraw/zinc/26/07/50/428260750.db2.gz PTKDVXHJHUBLRX-WBVHZDCISA-N 1 3 317.477 2.514 20 0 DFADHO C[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000370909754 428316988 /nfs/dbraw/zinc/31/69/88/428316988.db2.gz VKOFDANSSPGWMW-NCOADZHNSA-N 1 3 321.509 2.723 20 0 DFADHO C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000370909754 428316992 /nfs/dbraw/zinc/31/69/92/428316992.db2.gz VKOFDANSSPGWMW-NCOADZHNSA-N 1 3 321.509 2.723 20 0 DFADHO C[C@H](C(=O)N1CCCc2cc(C[NH3+])ccc21)[C@H](N)c1ccccc1 ZINC000378187085 428328649 /nfs/dbraw/zinc/32/86/49/428328649.db2.gz HDNPOQRIAOPUKR-LIRRHRJNSA-N 1 3 323.440 2.761 20 0 DFADHO C[C@](O)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000356838360 428331480 /nfs/dbraw/zinc/33/14/80/428331480.db2.gz ILTDXSOJMQTPKJ-AFYVEPGGSA-N 1 3 314.473 2.648 20 0 DFADHO CCOc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346824913 428331888 /nfs/dbraw/zinc/33/18/88/428331888.db2.gz CZBINFMAGZLQIT-HRCADAONSA-N 1 3 304.434 2.653 20 0 DFADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000414728106 428388835 /nfs/dbraw/zinc/38/88/35/428388835.db2.gz CADXRCGJVLKTDR-CVEARBPZSA-N 1 3 303.450 2.711 20 0 DFADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000414728106 428388840 /nfs/dbraw/zinc/38/88/40/428388840.db2.gz CADXRCGJVLKTDR-CVEARBPZSA-N 1 3 303.450 2.711 20 0 DFADHO CCC[N@@H+]1CCC[C@H]1CNCc1cn(-c2ccncc2)nc1C ZINC000353129269 428395065 /nfs/dbraw/zinc/39/50/65/428395065.db2.gz SXXHUGPQCOCZED-SFHVURJKSA-N 1 3 313.449 2.540 20 0 DFADHO CCC[N@H+]1CCC[C@H]1CNCc1cn(-c2ccncc2)nc1C ZINC000353129269 428395070 /nfs/dbraw/zinc/39/50/70/428395070.db2.gz SXXHUGPQCOCZED-SFHVURJKSA-N 1 3 313.449 2.540 20 0 DFADHO CCCN1CCC[C@H]1C[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000353129269 428395073 /nfs/dbraw/zinc/39/50/73/428395073.db2.gz SXXHUGPQCOCZED-SFHVURJKSA-N 1 3 313.449 2.540 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(CCc2ccccc2F)C1 ZINC000346995495 428399086 /nfs/dbraw/zinc/39/90/86/428399086.db2.gz WNRJXUXIWFEONT-KRWDZBQOSA-N 1 3 308.441 2.801 20 0 DFADHO CC(C)Oc1cccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414774690 428400194 /nfs/dbraw/zinc/40/01/94/428400194.db2.gz FTFUWGXSXVFXGX-KRWDZBQOSA-N 1 3 318.461 2.661 20 0 DFADHO CC(C)N(C)c1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414773625 428401914 /nfs/dbraw/zinc/40/19/14/428401914.db2.gz DQBOIRYDEGGWKF-MSOLQXFVSA-N 1 3 316.493 2.748 20 0 DFADHO Cc1cc(C)c(C[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1C ZINC000414783970 428406835 /nfs/dbraw/zinc/40/68/35/428406835.db2.gz ICPCCXQIWSQVEC-SFHVURJKSA-N 1 3 302.462 2.799 20 0 DFADHO Cc1cc(C)c(C[N@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1C ZINC000414783970 428406839 /nfs/dbraw/zinc/40/68/39/428406839.db2.gz ICPCCXQIWSQVEC-SFHVURJKSA-N 1 3 302.462 2.799 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)NC1CC[NH2+]CC1 ZINC000414784530 428406985 /nfs/dbraw/zinc/40/69/85/428406985.db2.gz SNRBQCKBOLOTTA-LBPRGKRZSA-N 1 3 309.841 2.707 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C1CCNCC1 ZINC000414784530 428406992 /nfs/dbraw/zinc/40/69/92/428406992.db2.gz SNRBQCKBOLOTTA-LBPRGKRZSA-N 1 3 309.841 2.707 20 0 DFADHO Cc1cc(Cl)ccc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414783330 428407774 /nfs/dbraw/zinc/40/77/74/428407774.db2.gz YVGTTWORWIUGTR-SJORKVTESA-N 1 3 308.853 2.977 20 0 DFADHO [NH3+]C[C@@H]1CN(Cc2ccc(C3CC3)cc2)CC12CCOCC2 ZINC000414783542 428408267 /nfs/dbraw/zinc/40/82/67/428408267.db2.gz QATCYVYYCYPAAK-GOSISDBHSA-N 1 3 300.446 2.751 20 0 DFADHO COc1ccc(OC)c(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414786690 428409131 /nfs/dbraw/zinc/40/91/31/428409131.db2.gz UTBATBKSSCSWEW-CABCVRRESA-N 1 3 304.434 2.525 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C1CCNCC1 ZINC000414785767 428409499 /nfs/dbraw/zinc/40/94/99/428409499.db2.gz WCPLERWKVIAQOB-SNVBAGLBSA-N 1 3 315.230 2.861 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1F)NC1CC[NH2+]CC1 ZINC000414785767 428409503 /nfs/dbraw/zinc/40/95/03/428409503.db2.gz WCPLERWKVIAQOB-SNVBAGLBSA-N 1 3 315.230 2.861 20 0 DFADHO COc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1OC(F)F ZINC000414792350 428412373 /nfs/dbraw/zinc/41/23/73/428412373.db2.gz CDLFNHXXYJXLEO-OLZOCXBDSA-N 1 3 314.376 2.904 20 0 DFADHO COc1ccc(CN2CCCN(C[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000414675553 428372586 /nfs/dbraw/zinc/37/25/86/428372586.db2.gz TZRHLKCUFLHDED-SFHVURJKSA-N 1 3 319.493 2.576 20 0 DFADHO CC[C@H](NCC(=O)NC1CC[NH+](CC)CC1)c1ccc(C)cc1 ZINC000357051274 428374393 /nfs/dbraw/zinc/37/43/93/428374393.db2.gz FWQBMEVVGYPDFK-SFHVURJKSA-N 1 3 317.477 2.636 20 0 DFADHO C[C@@H]1C[C@@H](CN2CCCC[C@@H]2c2nnc3n2CCCC3)CC[NH2+]1 ZINC000414690482 428375388 /nfs/dbraw/zinc/37/53/88/428375388.db2.gz IDXSDSILHSAVJW-OWCLPIDISA-N 1 3 317.481 2.530 20 0 DFADHO CC(C)[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414688524 428377126 /nfs/dbraw/zinc/37/71/26/428377126.db2.gz DRDYLJGNVNKWLP-VQIMIIECSA-N 1 3 317.477 2.513 20 0 DFADHO CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414688524 428377130 /nfs/dbraw/zinc/37/71/30/428377130.db2.gz DRDYLJGNVNKWLP-VQIMIIECSA-N 1 3 317.477 2.513 20 0 DFADHO C[C@@H]1C[C@@H](CN(C)[C@H]2CCCN(c3ccccc3)C2=O)CC[NH2+]1 ZINC000414710142 428384301 /nfs/dbraw/zinc/38/43/01/428384301.db2.gz RLZITUIHTGZTMV-RYRKJORJSA-N 1 3 315.461 2.502 20 0 DFADHO Cc1cn[nH]c1CN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000414733506 428387272 /nfs/dbraw/zinc/38/72/72/428387272.db2.gz JKVONYJLRMKHGL-PKOBYXMFSA-N 1 3 312.461 2.890 20 0 DFADHO CC(C)(C)C(=O)N1CCC(NCC2([NH3+])CCCCCC2)CC1 ZINC000414858772 428435270 /nfs/dbraw/zinc/43/52/70/428435270.db2.gz LGSKJBKTKFNSPD-UHFFFAOYSA-N 1 3 309.498 2.665 20 0 DFADHO C[NH2+]CCCN[C@@H](C)Cc1ccc(Br)cc1F ZINC000414858453 428436068 /nfs/dbraw/zinc/43/60/68/428436068.db2.gz JKSUMBYQOLFNGJ-JTQLQIEISA-N 1 3 303.219 2.718 20 0 DFADHO CNCCC[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414858453 428436072 /nfs/dbraw/zinc/43/60/72/428436072.db2.gz JKSUMBYQOLFNGJ-JTQLQIEISA-N 1 3 303.219 2.718 20 0 DFADHO COc1ccc(CNCC[C@H]2CCC[NH2+]C2)c(OC(F)F)c1 ZINC000414856312 428436948 /nfs/dbraw/zinc/43/69/48/428436948.db2.gz YRLGHWFAWXDFBK-GFCCVEGCSA-N 1 3 314.376 2.776 20 0 DFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]3(F)CCNC3)cc2)C1 ZINC000372397156 428437071 /nfs/dbraw/zinc/43/70/71/428437071.db2.gz AQFCSSOWMRACEG-RDTXWAMCSA-N 1 3 319.424 2.559 20 0 DFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]3(F)CCNC3)cc2)C1 ZINC000372397156 428437076 /nfs/dbraw/zinc/43/70/76/428437076.db2.gz AQFCSSOWMRACEG-RDTXWAMCSA-N 1 3 319.424 2.559 20 0 DFADHO C[C@H](CN)C[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414871563 428440134 /nfs/dbraw/zinc/44/01/34/428440134.db2.gz DEIIESMZQBQGMM-ZJUUUORDSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@H](C[NH3+])CN[C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414871563 428440140 /nfs/dbraw/zinc/44/01/40/428440140.db2.gz DEIIESMZQBQGMM-ZJUUUORDSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414871561 428441423 /nfs/dbraw/zinc/44/14/23/428441423.db2.gz DEIIESMZQBQGMM-UWVGGRQHSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@@H](C[NH3+])CN[C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414871561 428441430 /nfs/dbraw/zinc/44/14/30/428441430.db2.gz DEIIESMZQBQGMM-UWVGGRQHSA-N 1 3 303.219 2.704 20 0 DFADHO c1[nH]nc(-c2ccccc2)c1CNCCC[NH2+]Cc1cccnc1 ZINC000414875141 428441996 /nfs/dbraw/zinc/44/19/96/428441996.db2.gz IREKGBKWHOFHMQ-UHFFFAOYSA-N 1 3 321.428 2.741 20 0 DFADHO C[C@@H](C[NH3+])CNCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414881087 428443101 /nfs/dbraw/zinc/44/31/01/428443101.db2.gz RYLLUZMUTBZICL-AWEZNQCLSA-N 1 3 313.449 2.745 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNCC2(C)CC[NH2+]CC2)c1 ZINC000414900714 428448666 /nfs/dbraw/zinc/44/86/66/428448666.db2.gz IMRZSBDJPPYRKI-UHFFFAOYSA-N 1 3 310.825 2.606 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379644469 428450571 /nfs/dbraw/zinc/45/05/71/428450571.db2.gz CIAWWLQWKFCLFH-CGTJXYLNSA-N 1 3 317.477 2.529 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+]C[C@]2(C)CCCNC2)cc1F ZINC000414899615 428450683 /nfs/dbraw/zinc/45/06/83/428450683.db2.gz CPRIFKMMYVGLJQ-KBXCAEBGSA-N 1 3 308.441 2.992 20 0 DFADHO CSc1cc2c(cc1CN1CCC([C@@H](C)[NH3+])CC1)OCCO2 ZINC000347114679 428451040 /nfs/dbraw/zinc/45/10/40/428451040.db2.gz UNFZKGUSCMMPML-GFCCVEGCSA-N 1 3 322.474 2.739 20 0 DFADHO Cc1ccc(CNC[C@]2(C)CCC[NH2+]C2)c(-c2ccnn2C)c1 ZINC000414902375 428451656 /nfs/dbraw/zinc/45/16/56/428451656.db2.gz HFRMEKQPKGYTJU-LJQANCHMSA-N 1 3 312.461 2.875 20 0 DFADHO Cc1ccc(C[NH2+]C[C@]2(C)CCCNC2)c(-c2ccnn2C)c1 ZINC000414902375 428451660 /nfs/dbraw/zinc/45/16/60/428451660.db2.gz HFRMEKQPKGYTJU-LJQANCHMSA-N 1 3 312.461 2.875 20 0 DFADHO CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCCC[C@@H]1CN(CC)CC ZINC000353258821 428454045 /nfs/dbraw/zinc/45/40/45/428454045.db2.gz RSMGRLUSCROKFJ-BRWVUGGUSA-N 1 3 307.486 2.547 20 0 DFADHO CC[C@H](Cn1cncn1)N[C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000353258821 428454049 /nfs/dbraw/zinc/45/40/49/428454049.db2.gz RSMGRLUSCROKFJ-BRWVUGGUSA-N 1 3 307.486 2.547 20 0 DFADHO CCC[C@@H](NCC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000357256286 428455822 /nfs/dbraw/zinc/45/58/22/428455822.db2.gz KGGRFXGSAJTELU-GOSISDBHSA-N 1 3 317.477 2.718 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414919319 428457714 /nfs/dbraw/zinc/45/77/14/428457714.db2.gz WRRIEZULWYPDQU-KDOFPFPSSA-N 1 3 304.434 2.716 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@]2(C)CCCNC2)cc1OC ZINC000414918990 428457985 /nfs/dbraw/zinc/45/79/85/428457985.db2.gz VQYMIGZOORWDPV-KBXCAEBGSA-N 1 3 306.450 2.614 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000414918990 428457990 /nfs/dbraw/zinc/45/79/90/428457990.db2.gz VQYMIGZOORWDPV-KBXCAEBGSA-N 1 3 306.450 2.614 20 0 DFADHO CC1(C)CCCN[C@H]1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000414927595 428459365 /nfs/dbraw/zinc/45/93/65/428459365.db2.gz MIQIGNGYMYWLIM-AWEZNQCLSA-N 1 3 321.431 2.771 20 0 DFADHO CC1(C)CCC[NH2+][C@H]1CNC1CCN(CCC(F)(F)F)CC1 ZINC000414927595 428459368 /nfs/dbraw/zinc/45/93/68/428459368.db2.gz MIQIGNGYMYWLIM-AWEZNQCLSA-N 1 3 321.431 2.771 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414947973 428465067 /nfs/dbraw/zinc/46/50/67/428465067.db2.gz LPLPTYHYFVJCCZ-FVQBIDKESA-N 1 3 306.450 2.755 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414947973 428465078 /nfs/dbraw/zinc/46/50/78/428465078.db2.gz LPLPTYHYFVJCCZ-FVQBIDKESA-N 1 3 306.450 2.755 20 0 DFADHO COC[C@]1(C[NH2+][C@H](C)Cc2ccccc2SC)CCCN1 ZINC000414944667 428465432 /nfs/dbraw/zinc/46/54/32/428465432.db2.gz OIJJWAWDEMGQMG-RHSMWYFYSA-N 1 3 308.491 2.698 20 0 DFADHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414949001 428468501 /nfs/dbraw/zinc/46/85/01/428468501.db2.gz ZGMXFEWYBXZTQL-KSSFIOAISA-N 1 3 321.896 2.892 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000347031515 428415004 /nfs/dbraw/zinc/41/50/04/428415004.db2.gz CCYXPOSHNMYLGL-LSDHHAIUSA-N 1 3 311.514 2.780 20 0 DFADHO CC[NH2+]CC1CCN(Cc2ccc(OC)c(OCC)c2)CC1 ZINC000347034241 428416352 /nfs/dbraw/zinc/41/63/52/428416352.db2.gz CKEKTDYEAZTKJZ-UHFFFAOYSA-N 1 3 306.450 2.915 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[C@@H]1CN ZINC000414804824 428419104 /nfs/dbraw/zinc/41/91/04/428419104.db2.gz PBXNEZZITCLYQO-OAGGEKHMSA-N 1 3 306.450 2.742 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CC2)c(Cl)c1 ZINC000414812632 428422039 /nfs/dbraw/zinc/42/20/39/428422039.db2.gz XQNNLAHNAJJTQM-ABAIWWIYSA-N 1 3 309.841 2.692 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NC[C@H]1CCC[NH2+]C1 ZINC000414826817 428425277 /nfs/dbraw/zinc/42/52/77/428425277.db2.gz JREYPKDOFAMBPT-OLZOCXBDSA-N 1 3 309.841 2.646 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCCNC1 ZINC000414826817 428425284 /nfs/dbraw/zinc/42/52/84/428425284.db2.gz JREYPKDOFAMBPT-OLZOCXBDSA-N 1 3 309.841 2.646 20 0 DFADHO CCc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000372334176 428429787 /nfs/dbraw/zinc/42/97/87/428429787.db2.gz TVSYOUVXNOUURR-XLIONFOSSA-N 1 3 315.505 2.707 20 0 DFADHO CNC[C@@H](C)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414840794 428430741 /nfs/dbraw/zinc/43/07/41/428430741.db2.gz NKIXAMQRYBAQIR-CQSZACIVSA-N 1 3 309.885 2.750 20 0 DFADHO C[NH2+]C[C@@H](C)CNC1CCN(Cc2ccccc2Cl)CC1 ZINC000414840794 428430746 /nfs/dbraw/zinc/43/07/46/428430746.db2.gz NKIXAMQRYBAQIR-CQSZACIVSA-N 1 3 309.885 2.750 20 0 DFADHO C[C@H](N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000414847713 428431955 /nfs/dbraw/zinc/43/19/55/428431955.db2.gz FXZAFIFUGAEEOB-RNIPGJKVSA-N 1 3 301.478 2.800 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])CC(C)C)c(C)c1 ZINC000414851183 428432878 /nfs/dbraw/zinc/43/28/78/428432878.db2.gz OVGASWFVOZSACA-HZPDHXFCSA-N 1 3 305.466 2.984 20 0 DFADHO COc1ccc(OC(F)F)c(CNCCC[C@@H]2CCC[NH2+]2)c1 ZINC000414982666 428481200 /nfs/dbraw/zinc/48/12/00/428481200.db2.gz YUGZQSPFLIYYBF-CYBMUJFWSA-N 1 3 314.376 2.918 20 0 DFADHO C[C@H](Cc1ccccc1)C[NH+]1CCC(N(C)C[C@H](C)O)CC1 ZINC000360897340 428483210 /nfs/dbraw/zinc/48/32/10/428483210.db2.gz MAYSDQYRWKIVCX-SJORKVTESA-N 1 3 304.478 2.642 20 0 DFADHO CCOc1ccc(CN2CCC(C[NH2+]C)CC2)cc1OCC ZINC000347190896 428487256 /nfs/dbraw/zinc/48/72/56/428487256.db2.gz FCTSXNLESLLNSM-UHFFFAOYSA-N 1 3 306.450 2.915 20 0 DFADHO Cc1nn2c(CN[C@@H](C)CCCC[NH3+])c(C(C)C)nc2s1 ZINC000415012552 428488638 /nfs/dbraw/zinc/48/86/38/428488638.db2.gz JJHZIYOOFUZISE-NSHDSACASA-N 1 3 309.483 2.830 20 0 DFADHO Clc1cccc(Cl)c1CCC[NH2+]C[C@H]1CNCCCO1 ZINC000415032725 428493080 /nfs/dbraw/zinc/49/30/80/428493080.db2.gz GLCIBRQYOPOKNN-LBPRGKRZSA-N 1 3 317.260 2.894 20 0 DFADHO Clc1cccc(Cl)c1CCC[NH2+]C[C@@H]1CNCCCO1 ZINC000415032723 428493557 /nfs/dbraw/zinc/49/35/57/428493557.db2.gz GLCIBRQYOPOKNN-GFCCVEGCSA-N 1 3 317.260 2.894 20 0 DFADHO CCOc1cccc(CN[C@@H](C)CCC[NH3+])c1OC(F)F ZINC000415027718 428493802 /nfs/dbraw/zinc/49/38/02/428493802.db2.gz XHHLUDCGCAOSDU-NSHDSACASA-N 1 3 302.365 2.904 20 0 DFADHO CC(C)Oc1ccc([C@@H]2CCC[C@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415037264 428494775 /nfs/dbraw/zinc/49/47/75/428494775.db2.gz MTBSLVKDJUAJEH-NTZUZEMLSA-N 1 3 300.446 2.917 20 0 DFADHO c1cnn(-c2ccc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)c1 ZINC000415037627 428496638 /nfs/dbraw/zinc/49/66/38/428496638.db2.gz GWOYIIYFQSLYQP-PKOBYXMFSA-N 1 3 310.445 2.836 20 0 DFADHO CN(C)Cc1cccc(C(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000357358847 428497773 /nfs/dbraw/zinc/49/77/73/428497773.db2.gz XEMYTUQFKHLLID-UHFFFAOYSA-N 1 3 317.477 2.729 20 0 DFADHO NC[C@@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C1CCCC1 ZINC000415066351 428506393 /nfs/dbraw/zinc/50/63/93/428506393.db2.gz OKQUVLSYZAQGSQ-QGZVFWFLSA-N 1 3 302.397 2.619 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415063180 428507724 /nfs/dbraw/zinc/50/77/24/428507724.db2.gz GZGKOGIJJXDKCO-WBMJQRKESA-N 1 3 307.413 2.650 20 0 DFADHO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000415082895 428512621 /nfs/dbraw/zinc/51/26/21/428512621.db2.gz PAQBRQUYNQYJLM-GUDVDZBRSA-N 1 3 301.478 2.944 20 0 DFADHO FC(F)(F)Oc1ccccc1CCN[C@H]1CCC[NH2+]CC1 ZINC000415085489 428515276 /nfs/dbraw/zinc/51/52/76/428515276.db2.gz QHCWMAYXPKTRON-ZDUSSCGKSA-N 1 3 302.340 2.859 20 0 DFADHO Clc1ccccc1N1CCC[C@@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC000415085204 428516772 /nfs/dbraw/zinc/51/67/72/428516772.db2.gz QMQRHZFDBAZUMC-HUUCEWRRSA-N 1 3 307.869 2.898 20 0 DFADHO CCN1CCN(c2ccc(N[C@H](C)[C@H]3CC[NH2+]C3)c(C)c2)CC1 ZINC000415111439 428524181 /nfs/dbraw/zinc/52/41/81/428524181.db2.gz BZFGUFOKHAIRPT-SJORKVTESA-N 1 3 316.493 2.547 20 0 DFADHO CC[C@H](C)C[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC000357417743 428526830 /nfs/dbraw/zinc/52/68/30/428526830.db2.gz QOQWPUNKPUOUMN-KRWDZBQOSA-N 1 3 303.494 2.960 20 0 DFADHO Clc1ccccc1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415125413 428529594 /nfs/dbraw/zinc/52/95/94/428529594.db2.gz DULJVMSZELFNID-ZBFHGGJFSA-N 1 3 306.837 2.540 20 0 DFADHO C[C@@H]1CCN(Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C[NH3+] ZINC000415123724 428529754 /nfs/dbraw/zinc/52/97/54/428529754.db2.gz JOKRTKNPTAONIW-CHWSQXEVSA-N 1 3 304.463 2.565 20 0 DFADHO CCN1CCN(c2ccc(NC[C@@]3(C)CC[NH2+]C3)c(C)c2)CC1 ZINC000415124838 428530438 /nfs/dbraw/zinc/53/04/38/428530438.db2.gz RRCPJCAZCMDDAJ-IBGZPJMESA-N 1 3 316.493 2.548 20 0 DFADHO CCN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000390694456 428472639 /nfs/dbraw/zinc/47/26/39/428472639.db2.gz QZUUIDOFWBHLMA-XUBOLADHSA-N 1 3 313.489 2.866 20 0 DFADHO CCN1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390694456 428472647 /nfs/dbraw/zinc/47/26/47/428472647.db2.gz QZUUIDOFWBHLMA-XUBOLADHSA-N 1 3 313.489 2.866 20 0 DFADHO CCN1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390694456 428472654 /nfs/dbraw/zinc/47/26/54/428472654.db2.gz QZUUIDOFWBHLMA-XUBOLADHSA-N 1 3 313.489 2.866 20 0 DFADHO c1cc(N2CCCC2)ncc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347158667 428473358 /nfs/dbraw/zinc/47/33/58/428473358.db2.gz FEKGRDBDISZBFI-SFHVURJKSA-N 1 3 314.477 2.646 20 0 DFADHO Oc1ccc(Br)c(CNCCC[C@H]2CCC[NH2+]2)c1 ZINC000414960296 428473572 /nfs/dbraw/zinc/47/35/72/428473572.db2.gz AMPPVKZKSSZOQH-LBPRGKRZSA-N 1 3 313.239 2.777 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390722037 428474044 /nfs/dbraw/zinc/47/40/44/428474044.db2.gz ZNCRZESJTLLCJC-NWJVMNJYSA-N 1 3 313.489 2.899 20 0 DFADHO CC(C)(C)c1ncc(CNCC2CC[NH+](C3CC3)CC2)cn1 ZINC000342855658 428475499 /nfs/dbraw/zinc/47/54/99/428475499.db2.gz XSSRPCDXCKLROW-UHFFFAOYSA-N 1 3 302.466 2.738 20 0 DFADHO C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358110573 428581004 /nfs/dbraw/zinc/58/10/04/428581004.db2.gz KNCBUJHRUZGCQF-WCXIOVBPSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358110573 428581010 /nfs/dbraw/zinc/58/10/10/428581010.db2.gz KNCBUJHRUZGCQF-WCXIOVBPSA-N 1 3 321.509 2.628 20 0 DFADHO CCOc1cccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415130289 428532969 /nfs/dbraw/zinc/53/29/69/428532969.db2.gz WSYMAXJYULTCAQ-IEBWSBKVSA-N 1 3 318.461 2.804 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H](c2ccco2)N2CCCC2)[C@H]2CCC[C@@H]21 ZINC000353442203 428535805 /nfs/dbraw/zinc/53/58/05/428535805.db2.gz OVFKWKOIZVJVKP-VSZNYVQBSA-N 1 3 317.477 2.879 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H](c2ccco2)N2CCCC2)[C@H]2CCC[C@@H]21 ZINC000353442203 428535812 /nfs/dbraw/zinc/53/58/12/428535812.db2.gz OVFKWKOIZVJVKP-VSZNYVQBSA-N 1 3 317.477 2.879 20 0 DFADHO CN1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)[C@H]2CCC[C@@H]21 ZINC000353442203 428535817 /nfs/dbraw/zinc/53/58/17/428535817.db2.gz OVFKWKOIZVJVKP-VSZNYVQBSA-N 1 3 317.477 2.879 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000353438786 428538194 /nfs/dbraw/zinc/53/81/94/428538194.db2.gz VULKAKCOXXNUQI-ZSYWTGECSA-N 1 3 301.478 2.752 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000353438786 428538198 /nfs/dbraw/zinc/53/81/98/428538198.db2.gz VULKAKCOXXNUQI-ZSYWTGECSA-N 1 3 301.478 2.752 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000353438786 428538201 /nfs/dbraw/zinc/53/82/01/428538201.db2.gz VULKAKCOXXNUQI-ZSYWTGECSA-N 1 3 301.478 2.752 20 0 DFADHO c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+]CCCN2CCCC2)cc1 ZINC000399685280 428541440 /nfs/dbraw/zinc/54/14/40/428541440.db2.gz ZORLDFXDJAUKAN-YOFSQIOKSA-N 1 3 313.489 2.582 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccccc2-n2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000353494660 428565884 /nfs/dbraw/zinc/56/58/84/428565884.db2.gz DIIXSUGJCOKNNL-LNLFQRSKSA-N 1 3 310.445 2.835 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccccc2-n2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000353494660 428565888 /nfs/dbraw/zinc/56/58/88/428565888.db2.gz DIIXSUGJCOKNNL-LNLFQRSKSA-N 1 3 310.445 2.835 20 0 DFADHO Cn1ccnc1CNC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000353504710 428567572 /nfs/dbraw/zinc/56/75/72/428567572.db2.gz SIAQPFMUQUSXAS-UHFFFAOYSA-N 1 3 312.461 2.953 20 0 DFADHO Cn1ccnc1CNC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000353504710 428567575 /nfs/dbraw/zinc/56/75/75/428567575.db2.gz SIAQPFMUQUSXAS-UHFFFAOYSA-N 1 3 312.461 2.953 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2CCF)C[C@H](C)O1 ZINC000353499998 428567628 /nfs/dbraw/zinc/56/76/28/428567628.db2.gz FDNAMLJGXDQHCV-YYIAUSFCSA-N 1 3 300.462 2.994 20 0 DFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN1C ZINC000361494977 428572384 /nfs/dbraw/zinc/57/23/84/428572384.db2.gz BBEJFIAZDSNKBA-JFIYKMOQSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN1C ZINC000361494977 428572389 /nfs/dbraw/zinc/57/23/89/428572389.db2.gz BBEJFIAZDSNKBA-JFIYKMOQSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@H](CC1CCOCC1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000358044249 428578469 /nfs/dbraw/zinc/57/84/69/428578469.db2.gz IFNCRWCMNSROTA-BRWVUGGUSA-N 1 3 312.498 2.671 20 0 DFADHO COCCOCc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000347580350 428611596 /nfs/dbraw/zinc/61/15/96/428611596.db2.gz FZEYKCAFBACGAM-UHFFFAOYSA-N 1 3 320.477 2.623 20 0 DFADHO C[NH+](C)CCOCCN[C@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000353595356 428614683 /nfs/dbraw/zinc/61/46/83/428614683.db2.gz JQZZRRGWLQWWJQ-QZTJIDSGSA-N 1 3 324.440 2.604 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccncc2OCCN(C)C)[C@@H]1C ZINC000344042253 428618152 /nfs/dbraw/zinc/61/81/52/428618152.db2.gz JVVITUHFQGBCSA-BFYDXBDKSA-N 1 3 305.466 2.936 20 0 DFADHO CCc1cccc(F)c1CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000353615800 428622153 /nfs/dbraw/zinc/62/21/53/428622153.db2.gz LWLWGANYVXJWPS-OAHLLOKOSA-N 1 3 322.468 2.913 20 0 DFADHO C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000353623175 428629295 /nfs/dbraw/zinc/62/92/95/428629295.db2.gz ODPVZIIVHPPAAA-JQHSSLGASA-N 1 3 324.472 2.767 20 0 DFADHO C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000353623175 428629299 /nfs/dbraw/zinc/62/92/99/428629299.db2.gz ODPVZIIVHPPAAA-JQHSSLGASA-N 1 3 324.472 2.767 20 0 DFADHO CO[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353631567 428630431 /nfs/dbraw/zinc/63/04/31/428630431.db2.gz LYBDKPMRRITBNP-ZJPYXAASSA-N 1 3 306.425 2.976 20 0 DFADHO CO[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353631567 428630434 /nfs/dbraw/zinc/63/04/34/428630434.db2.gz LYBDKPMRRITBNP-ZJPYXAASSA-N 1 3 306.425 2.976 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000358699058 428632164 /nfs/dbraw/zinc/63/21/64/428632164.db2.gz UTLWMBWTFRBZPM-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000358699058 428632168 /nfs/dbraw/zinc/63/21/68/428632168.db2.gz UTLWMBWTFRBZPM-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000358722946 428642706 /nfs/dbraw/zinc/64/27/06/428642706.db2.gz LKWZEJBIGSLATK-UMGGQSCQSA-N 1 3 315.505 2.969 20 0 DFADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H](C1CC1)N1CCCC1 ZINC000353678482 428655651 /nfs/dbraw/zinc/65/56/51/428655651.db2.gz MWVAKVRTPAJJPL-GOSISDBHSA-N 1 3 321.509 2.584 20 0 DFADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H](C1CC1)N1CCCC1 ZINC000353678482 428655657 /nfs/dbraw/zinc/65/56/57/428655657.db2.gz MWVAKVRTPAJJPL-GOSISDBHSA-N 1 3 321.509 2.584 20 0 DFADHO CCCC[C@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000353702973 428667343 /nfs/dbraw/zinc/66/73/43/428667343.db2.gz KTPAUOODHBDRTG-ZACQAIPSSA-N 1 3 309.498 2.617 20 0 DFADHO CCCC[C@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000353702973 428667347 /nfs/dbraw/zinc/66/73/47/428667347.db2.gz KTPAUOODHBDRTG-ZACQAIPSSA-N 1 3 309.498 2.617 20 0 DFADHO C[C@@H](NCC1=CCCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000348213933 428659947 /nfs/dbraw/zinc/65/99/47/428659947.db2.gz JOZOQICBTKOBCB-OAHLLOKOSA-N 1 3 304.434 2.624 20 0 DFADHO C[C@@H]([NH2+]CC1=CCCOC1)c1ccc(OCCN(C)C)cc1 ZINC000348213933 428659952 /nfs/dbraw/zinc/65/99/52/428659952.db2.gz JOZOQICBTKOBCB-OAHLLOKOSA-N 1 3 304.434 2.624 20 0 DFADHO CN(C)[C@@H](CC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000416253133 428700745 /nfs/dbraw/zinc/70/07/45/428700745.db2.gz QNPAYKVNJTYJBB-AEFFLSMTSA-N 1 3 317.477 2.528 20 0 DFADHO CN(C)[C@@H](CC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000416253133 428700748 /nfs/dbraw/zinc/70/07/48/428700748.db2.gz QNPAYKVNJTYJBB-AEFFLSMTSA-N 1 3 317.477 2.528 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC[C@](C)(CO)c2ccccc2)CC1 ZINC000348318470 428704712 /nfs/dbraw/zinc/70/47/12/428704712.db2.gz XTBNDDNXKBYBOQ-LJQANCHMSA-N 1 3 304.478 2.789 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@](C)(CO)c2ccccc2)CC1 ZINC000348318470 428704716 /nfs/dbraw/zinc/70/47/16/428704716.db2.gz XTBNDDNXKBYBOQ-LJQANCHMSA-N 1 3 304.478 2.789 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC[C@@](C)(CO)c2ccccc2)CC1 ZINC000348318468 428705088 /nfs/dbraw/zinc/70/50/88/428705088.db2.gz XTBNDDNXKBYBOQ-IBGZPJMESA-N 1 3 304.478 2.789 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@@](C)(CO)c2ccccc2)CC1 ZINC000348318468 428705093 /nfs/dbraw/zinc/70/50/93/428705093.db2.gz XTBNDDNXKBYBOQ-IBGZPJMESA-N 1 3 304.478 2.789 20 0 DFADHO CC(C)N1CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416146930 428676990 /nfs/dbraw/zinc/67/69/90/428676990.db2.gz QJCXGZSPQLEFBJ-SFHVURJKSA-N 1 3 317.477 2.622 20 0 DFADHO CC(C)C[C@@H](N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000353730518 428680007 /nfs/dbraw/zinc/68/00/07/428680007.db2.gz QZBYYJKSBHUGCS-QGZVFWFLSA-N 1 3 303.450 2.637 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CCc3cncs3)CC2)C[C@H](C)O1 ZINC000411223116 428762331 /nfs/dbraw/zinc/76/23/31/428762331.db2.gz XPBKDXRLSRDAMH-GASCZTMLSA-N 1 3 323.506 2.507 20 0 DFADHO CCN1CCN(c2ccccc2C[N@@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000353884915 428762523 /nfs/dbraw/zinc/76/25/23/428762523.db2.gz ZDANZVMCJIHFHQ-CALCHBBNSA-N 1 3 301.478 2.916 20 0 DFADHO CCN1CCN(c2ccccc2C[N@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000353884915 428762525 /nfs/dbraw/zinc/76/25/25/428762525.db2.gz ZDANZVMCJIHFHQ-CALCHBBNSA-N 1 3 301.478 2.916 20 0 DFADHO CC(C)[C@@H](NCCOCC[NH+](C)C)c1cc(F)ccc1F ZINC000358993348 428763934 /nfs/dbraw/zinc/76/39/34/428763934.db2.gz BBLAZUCFLDEIGH-MRXNPFEDSA-N 1 3 300.393 2.830 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000411365049 428781915 /nfs/dbraw/zinc/78/19/15/428781915.db2.gz MTKOKKUZBPOVJM-IAGOWNOFSA-N 1 3 323.525 2.781 20 0 DFADHO OC[C@@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411145616 428746744 /nfs/dbraw/zinc/74/67/44/428746744.db2.gz CMCYOVKBBQPKRW-LJQANCHMSA-N 1 3 302.462 2.877 20 0 DFADHO CC(C)N(C)CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000363061079 428850322 /nfs/dbraw/zinc/85/03/22/428850322.db2.gz HRICDOQTOJZHSJ-MRXNPFEDSA-N 1 3 317.477 2.668 20 0 DFADHO C[N@H+](CCC1(O)CCC1)CC1CCN(c2ccncc2)CC1 ZINC000411424932 428796062 /nfs/dbraw/zinc/79/60/62/428796062.db2.gz LZPDYEZDACTULJ-UHFFFAOYSA-N 1 3 303.450 2.535 20 0 DFADHO C[N@@H+](CCC1(O)CCC1)CC1CCN(c2ccncc2)CC1 ZINC000411424932 428796064 /nfs/dbraw/zinc/79/60/64/428796064.db2.gz LZPDYEZDACTULJ-UHFFFAOYSA-N 1 3 303.450 2.535 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2cccc(C)c2C)CC1 ZINC000411471702 428802925 /nfs/dbraw/zinc/80/29/25/428802925.db2.gz QQIBWEDQOBUXEA-INIZCTEOSA-N 1 3 317.477 2.555 20 0 DFADHO COCC[N@H+](C)CCCNCc1cc2c(cc(C)cc2C)[nH]1 ZINC000359084925 428810399 /nfs/dbraw/zinc/81/03/99/428810399.db2.gz SGNVAZFDGNTQDG-UHFFFAOYSA-N 1 3 303.450 2.843 20 0 DFADHO COCC[N@@H+](C)CCCNCc1cc2c(cc(C)cc2C)[nH]1 ZINC000359084925 428810404 /nfs/dbraw/zinc/81/04/04/428810404.db2.gz SGNVAZFDGNTQDG-UHFFFAOYSA-N 1 3 303.450 2.843 20 0 DFADHO CCCCNC(=O)CCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411520629 428811020 /nfs/dbraw/zinc/81/10/20/428811020.db2.gz WJUAIHRATUICRI-HOTGVXAUSA-N 1 3 309.498 2.535 20 0 DFADHO CCCCNC(=O)CCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411520629 428811027 /nfs/dbraw/zinc/81/10/27/428811027.db2.gz WJUAIHRATUICRI-HOTGVXAUSA-N 1 3 309.498 2.535 20 0 DFADHO CCCCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000411520629 428811035 /nfs/dbraw/zinc/81/10/35/428811035.db2.gz WJUAIHRATUICRI-HOTGVXAUSA-N 1 3 309.498 2.535 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000348684341 428813114 /nfs/dbraw/zinc/81/31/14/428813114.db2.gz PDHPZPWCAZKGKT-SNRMKQJTSA-N 1 3 320.477 2.971 20 0 DFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000345251384 428816100 /nfs/dbraw/zinc/81/61/00/428816100.db2.gz QCGMRXPXLHLTJQ-YESZJQIVSA-N 1 3 309.498 2.630 20 0 DFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000345251384 428816105 /nfs/dbraw/zinc/81/61/05/428816105.db2.gz QCGMRXPXLHLTJQ-YESZJQIVSA-N 1 3 309.498 2.630 20 0 DFADHO CC(=O)N1CCC([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000359116731 428824142 /nfs/dbraw/zinc/82/41/42/428824142.db2.gz QRWDKFSYUNGOOF-HNAYVOBHSA-N 1 3 321.509 2.630 20 0 DFADHO CC(=O)N1CCC(NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000359116731 428824147 /nfs/dbraw/zinc/82/41/47/428824147.db2.gz QRWDKFSYUNGOOF-HNAYVOBHSA-N 1 3 321.509 2.630 20 0 DFADHO Cc1csc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)n1 ZINC000359116743 428824840 /nfs/dbraw/zinc/82/48/40/428824840.db2.gz QUWUUNZJOWZZEN-HOTGVXAUSA-N 1 3 320.506 2.637 20 0 DFADHO Cc1csc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)n1 ZINC000359116743 428824845 /nfs/dbraw/zinc/82/48/45/428824845.db2.gz QUWUUNZJOWZZEN-HOTGVXAUSA-N 1 3 320.506 2.637 20 0 DFADHO Cc1csc(N2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)n1 ZINC000359116743 428824849 /nfs/dbraw/zinc/82/48/49/428824849.db2.gz QUWUUNZJOWZZEN-HOTGVXAUSA-N 1 3 320.506 2.637 20 0 DFADHO CC[NH+](CC)CCOC1CCN(Cc2cccc(O)c2)CC1 ZINC000354033409 428832233 /nfs/dbraw/zinc/83/22/33/428832233.db2.gz LDEDVXSFYAZDSE-UHFFFAOYSA-N 1 3 306.450 2.715 20 0 DFADHO Cc1ccccc1CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359200608 428863250 /nfs/dbraw/zinc/86/32/50/428863250.db2.gz GFAUZAHTDVQMNO-UHFFFAOYSA-N 1 3 301.478 2.502 20 0 DFADHO c1ccc2nc(N3CCN(CCC4CC[NH2+]CC4)CC3)ccc2c1 ZINC000359208680 428867599 /nfs/dbraw/zinc/86/75/99/428867599.db2.gz CMZXDYJMFWLEFO-UHFFFAOYSA-N 1 3 324.472 2.747 20 0 DFADHO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCCN(C)C ZINC000354133335 428877315 /nfs/dbraw/zinc/87/73/15/428877315.db2.gz DBYQGYXNBDJKCK-QZTJIDSGSA-N 1 3 320.477 2.922 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN2CCCCC2)[C@H]1C ZINC000354148987 428886918 /nfs/dbraw/zinc/88/69/18/428886918.db2.gz ZDTMGTXEKKQMJD-QZWWFDLISA-N 1 3 310.482 2.676 20 0 DFADHO C[C@H](C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)N1CCCCCC1 ZINC000345505074 428913851 /nfs/dbraw/zinc/91/38/51/428913851.db2.gz JLEYIJWQSWLQBE-YESZJQIVSA-N 1 3 309.498 2.630 20 0 DFADHO CC(C)C[C@H](CNC[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000354211700 428919046 /nfs/dbraw/zinc/91/90/46/428919046.db2.gz NMXCFJWKIRCLCR-RTBURBONSA-N 1 3 304.478 2.863 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)NCC2CCCCC2)C[C@@H]1C ZINC000354226267 428927978 /nfs/dbraw/zinc/92/79/78/428927978.db2.gz VXZQTQCOKRJJTO-FUHWJXTLSA-N 1 3 323.525 2.878 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)NCC2CCCCC2)C[C@@H]1C ZINC000354226267 428927983 /nfs/dbraw/zinc/92/79/83/428927983.db2.gz VXZQTQCOKRJJTO-FUHWJXTLSA-N 1 3 323.525 2.878 20 0 DFADHO Cc1ccn2c(CN3CC[C@H](C4CC[NH+](C)CC4)C3)cnc2c1 ZINC000349183357 428933704 /nfs/dbraw/zinc/93/37/04/428933704.db2.gz GNXNEFZMAXVRSY-KRWDZBQOSA-N 1 3 312.461 2.806 20 0 DFADHO COc1cc(C)nc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000349190182 428936157 /nfs/dbraw/zinc/93/61/57/428936157.db2.gz MNXIWKLWGRZYDD-INIZCTEOSA-N 1 3 303.450 2.562 20 0 DFADHO Cc1cnn(CC[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000375748405 428961262 /nfs/dbraw/zinc/96/12/62/428961262.db2.gz YRRWMRBLDZDOBE-HXUWFJFHSA-N 1 3 324.472 2.790 20 0 DFADHO Cc1cnn(CC[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000375748405 428961264 /nfs/dbraw/zinc/96/12/64/428961264.db2.gz YRRWMRBLDZDOBE-HXUWFJFHSA-N 1 3 324.472 2.790 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@@H](O)C(F)(F)F)CC1 ZINC000349336712 428964464 /nfs/dbraw/zinc/96/44/64/428964464.db2.gz XOMJDDRYWZDJAD-BPLDGKMQSA-N 1 3 322.415 2.932 20 0 DFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@@H](O)C(F)(F)F)CC1 ZINC000349336712 428964468 /nfs/dbraw/zinc/96/44/68/428964468.db2.gz XOMJDDRYWZDJAD-BPLDGKMQSA-N 1 3 322.415 2.932 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC[C@H](O)C(F)(F)F)CC2)C1 ZINC000349331573 428964682 /nfs/dbraw/zinc/96/46/82/428964682.db2.gz LVAFNNYUHJDTMP-YUELXQCFSA-N 1 3 322.415 2.932 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@H](O)C(F)(F)F)CC2)C1 ZINC000349331573 428964684 /nfs/dbraw/zinc/96/46/84/428964684.db2.gz LVAFNNYUHJDTMP-YUELXQCFSA-N 1 3 322.415 2.932 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]CCCNC2CC2)c(C)c1OC ZINC000423543017 428969419 /nfs/dbraw/zinc/96/94/19/428969419.db2.gz BNQYPJLUATUGJA-ZDUSSCGKSA-N 1 3 306.450 2.675 20 0 DFADHO COc1ccc(C[C@H](C)NCCC[NH2+]C2CC2)c(C)c1OC ZINC000423543017 428969427 /nfs/dbraw/zinc/96/94/27/428969427.db2.gz BNQYPJLUATUGJA-ZDUSSCGKSA-N 1 3 306.450 2.675 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000423779664 429016605 /nfs/dbraw/zinc/01/66/05/429016605.db2.gz FMLSJBWHMWBAEL-SJLPKXTDSA-N 1 3 303.450 2.903 20 0 DFADHO Cc1ncccc1O[C@@H]1CC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000375986175 429034705 /nfs/dbraw/zinc/03/47/05/429034705.db2.gz PGOWYDUZPCSRIN-IAGOWNOFSA-N 1 3 303.450 2.718 20 0 DFADHO Cc1ncccc1O[C@@H]1CC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000375986175 429034711 /nfs/dbraw/zinc/03/47/11/429034711.db2.gz PGOWYDUZPCSRIN-IAGOWNOFSA-N 1 3 303.450 2.718 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000423797561 429023547 /nfs/dbraw/zinc/02/35/47/429023547.db2.gz HXVLVSPADVOSPO-KBAYOESNSA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000423797561 429023550 /nfs/dbraw/zinc/02/35/50/429023550.db2.gz HXVLVSPADVOSPO-KBAYOESNSA-N 1 3 317.477 2.559 20 0 DFADHO CN(C)[C@@H](CC(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000433343967 429026606 /nfs/dbraw/zinc/02/66/06/429026606.db2.gz PSGPKOUSMSGTED-SFHVURJKSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)[C@@H](CC(=O)NCC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000433343967 429026610 /nfs/dbraw/zinc/02/66/10/429026610.db2.gz PSGPKOUSMSGTED-SFHVURJKSA-N 1 3 317.477 2.670 20 0 DFADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCCc3n[nH]cc32)cc1 ZINC000375795287 428975212 /nfs/dbraw/zinc/97/52/12/428975212.db2.gz WVUSEENKWYLZHJ-KRWDZBQOSA-N 1 3 314.433 2.517 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000423726741 429005347 /nfs/dbraw/zinc/00/53/47/429005347.db2.gz KGGFXYQYEVIRMW-OWCLPIDISA-N 1 3 307.482 2.512 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000423726741 429005350 /nfs/dbraw/zinc/00/53/50/429005350.db2.gz KGGFXYQYEVIRMW-OWCLPIDISA-N 1 3 307.482 2.512 20 0 DFADHO CCN(CCCN(C)C[C@H]1CCC[N@H+](C)C1)CC(F)(F)F ZINC000354799126 429009453 /nfs/dbraw/zinc/00/94/53/429009453.db2.gz ZASXGVYQEPVLDF-AWEZNQCLSA-N 1 3 309.420 2.534 20 0 DFADHO CCN(CCCN(C)C[C@H]1CCC[N@@H+](C)C1)CC(F)(F)F ZINC000354799126 429009456 /nfs/dbraw/zinc/00/94/56/429009456.db2.gz ZASXGVYQEPVLDF-AWEZNQCLSA-N 1 3 309.420 2.534 20 0 DFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCCCN1C1CCCC1 ZINC000433231949 429013478 /nfs/dbraw/zinc/01/34/78/429013478.db2.gz ZJSOEZXPMWTYQU-KZNAEPCWSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCCCN1C1CCCC1 ZINC000433231949 429013482 /nfs/dbraw/zinc/01/34/82/429013482.db2.gz ZJSOEZXPMWTYQU-KZNAEPCWSA-N 1 3 319.493 2.527 20 0 DFADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423456547 429090742 /nfs/dbraw/zinc/09/07/42/429090742.db2.gz DNGHDFUELXUVJO-ZFWWWQNUSA-N 1 3 324.490 2.791 20 0 DFADHO COC(=O)Nc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000376063160 429050907 /nfs/dbraw/zinc/05/09/07/429050907.db2.gz XZLJNIBBYZUUKM-ZACQAIPSSA-N 1 3 317.433 2.827 20 0 DFADHO COC(=O)Nc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000376063160 429050909 /nfs/dbraw/zinc/05/09/09/429050909.db2.gz XZLJNIBBYZUUKM-ZACQAIPSSA-N 1 3 317.433 2.827 20 0 DFADHO COC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000376063160 429050914 /nfs/dbraw/zinc/05/09/14/429050914.db2.gz XZLJNIBBYZUUKM-ZACQAIPSSA-N 1 3 317.433 2.827 20 0 DFADHO CO[C@@H]1CCCC[C@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969987 429052973 /nfs/dbraw/zinc/05/29/73/429052973.db2.gz VOILQYITEMMRJQ-JFRXWTBNSA-N 1 3 316.445 2.790 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NCC[NH2+]C1CCCCCC1 ZINC000423286478 429057299 /nfs/dbraw/zinc/05/72/99/429057299.db2.gz HPGUMAUIDNXPKB-AWEZNQCLSA-N 1 3 304.482 2.812 20 0 DFADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(I)cc1 ZINC000423303375 429060878 /nfs/dbraw/zinc/06/08/78/429060878.db2.gz WYVZRXWAIWSNEZ-NXEZZACHSA-N 1 3 318.202 2.537 20 0 DFADHO CCCC[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccccc1OC ZINC000423303975 429061409 /nfs/dbraw/zinc/06/14/09/429061409.db2.gz XVQCFHJQFYRSRL-UONOGXRCSA-N 1 3 307.438 2.519 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423323517 429064367 /nfs/dbraw/zinc/06/43/67/429064367.db2.gz HZMRQHGFJTWWEU-AEFFLSMTSA-N 1 3 323.525 2.912 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423323517 429064372 /nfs/dbraw/zinc/06/43/72/429064372.db2.gz HZMRQHGFJTWWEU-AEFFLSMTSA-N 1 3 323.525 2.912 20 0 DFADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]CC2(N)CCC2)cc1 ZINC000423325145 429065477 /nfs/dbraw/zinc/06/54/77/429065477.db2.gz LADCOHVREWLKKN-SFHVURJKSA-N 1 3 311.429 2.845 20 0 DFADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)OCCO2 ZINC000423353549 429071962 /nfs/dbraw/zinc/07/19/62/429071962.db2.gz DOGJWISPIYNWME-CYBMUJFWSA-N 1 3 310.397 2.912 20 0 DFADHO CC(C)[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000423361628 429072546 /nfs/dbraw/zinc/07/25/46/429072546.db2.gz AKCIEMOIJVTGMI-KFNAQCHYSA-N 1 3 303.406 2.818 20 0 DFADHO CC(C)[C@H](C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@@H](C)[NH3+] ZINC000423357507 429072559 /nfs/dbraw/zinc/07/25/59/429072559.db2.gz IEOKXZRUSDOPHO-ATLSCFEFSA-N 1 3 317.477 2.558 20 0 DFADHO C[C@@H]1[NH2+]CCC[C@@H]1NC1CCN(c2ccc(F)cc2F)CC1 ZINC000423365530 429074215 /nfs/dbraw/zinc/07/42/15/429074215.db2.gz BVVXVLSFHMFTFQ-LRDDRELGSA-N 1 3 309.404 2.664 20 0 DFADHO C[C@H](CC(=O)N1CCCCCC1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423367545 429074938 /nfs/dbraw/zinc/07/49/38/429074938.db2.gz CQSZGUPQKQTHCD-OAHLLOKOSA-N 1 3 315.461 2.561 20 0 DFADHO C[C@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423367545 429074941 /nfs/dbraw/zinc/07/49/41/429074941.db2.gz CQSZGUPQKQTHCD-OAHLLOKOSA-N 1 3 315.461 2.561 20 0 DFADHO CCOC(=O)C1(C)CCC(NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423377245 429076256 /nfs/dbraw/zinc/07/62/56/429076256.db2.gz FCJZCFDOWDWNIA-SWKXRBFHSA-N 1 3 310.482 2.866 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423383175 429077752 /nfs/dbraw/zinc/07/77/52/429077752.db2.gz GXPXLNBIJXPRQF-SJORKVTESA-N 1 3 317.477 2.655 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423383175 429077753 /nfs/dbraw/zinc/07/77/53/429077753.db2.gz GXPXLNBIJXPRQF-SJORKVTESA-N 1 3 317.477 2.655 20 0 DFADHO CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000424141373 429097907 /nfs/dbraw/zinc/09/79/07/429097907.db2.gz CKNXYJYJXRAVNG-SJLPKXTDSA-N 1 3 321.509 2.759 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)cc1OC ZINC000423389976 429080280 /nfs/dbraw/zinc/08/02/80/429080280.db2.gz VLVPFXBSBDRZNA-FQLMCAECSA-N 1 3 306.450 2.926 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000423389976 429080283 /nfs/dbraw/zinc/08/02/83/429080283.db2.gz VLVPFXBSBDRZNA-FQLMCAECSA-N 1 3 306.450 2.926 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423403417 429081353 /nfs/dbraw/zinc/08/13/53/429081353.db2.gz SEYSXCDFRRCQLB-SPUZQDLCSA-N 1 3 302.462 2.958 20 0 DFADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423403417 429081359 /nfs/dbraw/zinc/08/13/59/429081359.db2.gz SEYSXCDFRRCQLB-SPUZQDLCSA-N 1 3 302.462 2.958 20 0 DFADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000424038120 429082101 /nfs/dbraw/zinc/08/21/01/429082101.db2.gz HXCANGASPZXSAC-SJORKVTESA-N 1 3 321.509 2.521 20 0 DFADHO COC[C@]1(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CCCN1 ZINC000423413260 429083569 /nfs/dbraw/zinc/08/35/69/429083569.db2.gz JZNMECJBENNRAN-YQVWRLOYSA-N 1 3 302.462 2.927 20 0 DFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423427160 429086901 /nfs/dbraw/zinc/08/69/01/429086901.db2.gz IICXTVQAGOCLFC-WBVHZDCISA-N 1 3 317.477 2.513 20 0 DFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423427160 429086905 /nfs/dbraw/zinc/08/69/05/429086905.db2.gz IICXTVQAGOCLFC-WBVHZDCISA-N 1 3 317.477 2.513 20 0 DFADHO c1ccc(C[C@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cccnc2)nc1 ZINC000423436877 429087315 /nfs/dbraw/zinc/08/73/15/429087315.db2.gz LYSQSUVYRJZBDZ-SLFFLAALSA-N 1 3 322.456 2.738 20 0 DFADHO COc1cc2nccc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2cc1OC ZINC000413155894 429152068 /nfs/dbraw/zinc/15/20/68/429152068.db2.gz DEBISQVIXFQRIF-QWHCGFSZSA-N 1 3 315.417 2.569 20 0 DFADHO COc1cc2nccc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2cc1OC ZINC000413155894 429152071 /nfs/dbraw/zinc/15/20/71/429152071.db2.gz DEBISQVIXFQRIF-QWHCGFSZSA-N 1 3 315.417 2.569 20 0 DFADHO CCN(CCCOc1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]CC1 ZINC000435618924 429153407 /nfs/dbraw/zinc/15/34/07/429153407.db2.gz RVNPXSHIBFKOPK-HNNXBMFYSA-N 1 3 320.433 2.648 20 0 DFADHO CC[N@H+](CCCOc1ccc2c(c1)OCO2)[C@H]1CCCNCC1 ZINC000435618924 429153412 /nfs/dbraw/zinc/15/34/12/429153412.db2.gz RVNPXSHIBFKOPK-HNNXBMFYSA-N 1 3 320.433 2.648 20 0 DFADHO CC[N@@H+](CCCOc1ccc2c(c1)OCO2)[C@H]1CCCNCC1 ZINC000435618924 429153418 /nfs/dbraw/zinc/15/34/18/429153418.db2.gz RVNPXSHIBFKOPK-HNNXBMFYSA-N 1 3 320.433 2.648 20 0 DFADHO CCN(CCC(=O)Nc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435614243 429153546 /nfs/dbraw/zinc/15/35/46/429153546.db2.gz LWQNDDWZJQBJJN-CQSZACIVSA-N 1 3 307.413 2.618 20 0 DFADHO CC[N@H+](CCC(=O)Nc1ccccc1F)[C@@H]1CCCNCC1 ZINC000435614243 429153551 /nfs/dbraw/zinc/15/35/51/429153551.db2.gz LWQNDDWZJQBJJN-CQSZACIVSA-N 1 3 307.413 2.618 20 0 DFADHO CC[N@@H+](CCC(=O)Nc1ccccc1F)[C@@H]1CCCNCC1 ZINC000435614243 429153553 /nfs/dbraw/zinc/15/35/53/429153553.db2.gz LWQNDDWZJQBJJN-CQSZACIVSA-N 1 3 307.413 2.618 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CNCCCO1)C1(c2ccccc2)CCCC1 ZINC000423494904 429098162 /nfs/dbraw/zinc/09/81/62/429098162.db2.gz SQPTWOOPTALBOT-WMZOPIPTSA-N 1 3 302.462 2.855 20 0 DFADHO C[C@H](NC[C@@H]1C[NH2+]CCCO1)C1(c2ccccc2)CCCC1 ZINC000423494904 429098166 /nfs/dbraw/zinc/09/81/66/429098166.db2.gz SQPTWOOPTALBOT-WMZOPIPTSA-N 1 3 302.462 2.855 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CNCCCO1)[C@H](C)c1nc2ccccc2s1 ZINC000423492596 429098960 /nfs/dbraw/zinc/09/89/60/429098960.db2.gz NUSYHFBMOBUMLF-MELADBBJSA-N 1 3 319.474 2.756 20 0 DFADHO C[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)c1ncc(Br)s1 ZINC000423492246 429099427 /nfs/dbraw/zinc/09/94/27/429099427.db2.gz MIHLKXXPKGXSJW-XHNCKOQMSA-N 1 3 304.257 2.684 20 0 DFADHO Clc1ccccc1C[C@H]([NH2+]C[C@@H]1CNCCCO1)C1CC1 ZINC000423496729 429099478 /nfs/dbraw/zinc/09/94/78/429099478.db2.gz XKFJDVBSEPISLR-RDJZCZTQSA-N 1 3 308.853 2.629 20 0 DFADHO Clc1ccccc1C[C@H](NC[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000423496729 429099483 /nfs/dbraw/zinc/09/94/83/429099483.db2.gz XKFJDVBSEPISLR-RDJZCZTQSA-N 1 3 308.853 2.629 20 0 DFADHO CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCCc2c3ccccc3sc21 ZINC000423510606 429103859 /nfs/dbraw/zinc/10/38/59/429103859.db2.gz JWAAXBHJUCJILF-CZUORRHYSA-N 1 3 315.486 2.772 20 0 DFADHO c1cncc(-c2cnccc2NCC2CC[NH+](C3CC3)CC2)c1 ZINC000376392596 429104274 /nfs/dbraw/zinc/10/42/74/429104274.db2.gz VPBNHFGMMBYEIS-UHFFFAOYSA-N 1 3 308.429 2.852 20 0 DFADHO CCc1ccccc1[C@H](N)CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423508869 429104353 /nfs/dbraw/zinc/10/43/53/429104353.db2.gz QZJIAEYKSYORBB-NCXUSEDFSA-N 1 3 301.478 2.711 20 0 DFADHO CCc1ccccc1[C@H](N)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423508869 429104356 /nfs/dbraw/zinc/10/43/56/429104356.db2.gz QZJIAEYKSYORBB-NCXUSEDFSA-N 1 3 301.478 2.711 20 0 DFADHO COc1ccc([C@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)c1OC ZINC000423515352 429107206 /nfs/dbraw/zinc/10/72/06/429107206.db2.gz VGVNTWUPJYSMOR-UVBSCNOISA-N 1 3 306.450 2.990 20 0 DFADHO COc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c(C)c1OC ZINC000423515352 429107208 /nfs/dbraw/zinc/10/72/08/429107208.db2.gz VGVNTWUPJYSMOR-UVBSCNOISA-N 1 3 306.450 2.990 20 0 DFADHO COc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)c(C)c1OC ZINC000423515352 429107213 /nfs/dbraw/zinc/10/72/13/429107213.db2.gz VGVNTWUPJYSMOR-UVBSCNOISA-N 1 3 306.450 2.990 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CNC[C@H]1c1ccccc1)CC2 ZINC000423531478 429110477 /nfs/dbraw/zinc/11/04/77/429110477.db2.gz QLNGZBNJFXRKJV-SESVDKBCSA-N 1 3 322.452 2.898 20 0 DFADHO Cc1cc(CN)cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c1 ZINC000424238120 429113484 /nfs/dbraw/zinc/11/34/84/429113484.db2.gz KQPIKOQJAXUPDU-KWOWKCNFSA-N 1 3 301.434 2.546 20 0 DFADHO COc1ccc([C@H](C)NCCOCC[NH+](C)C)c(Cl)c1 ZINC000424277492 429118398 /nfs/dbraw/zinc/11/83/98/429118398.db2.gz GOBYURGCRLLKGY-LBPRGKRZSA-N 1 3 300.830 2.577 20 0 DFADHO Cc1cc(C)cc(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424282767 429119579 /nfs/dbraw/zinc/11/95/79/429119579.db2.gz AIFBBAMPHCDMLK-MRXNPFEDSA-N 1 3 315.461 2.706 20 0 DFADHO Cc1ccc(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)c1 ZINC000424284186 429119701 /nfs/dbraw/zinc/11/97/01/429119701.db2.gz CZNZSAJTPPKMMI-INIZCTEOSA-N 1 3 315.461 2.706 20 0 DFADHO CN1CCN(CC2(C)CC[NH+](Cc3cccs3)CC2)CC1 ZINC000363884048 429133010 /nfs/dbraw/zinc/13/30/10/429133010.db2.gz FGWWTRDCKSZACR-UHFFFAOYSA-N 1 3 307.507 2.598 20 0 DFADHO C[C@H]1CC2(CN1Cc1cnc3ccc(Cl)cn13)CC[NH2+]CC2 ZINC000424381176 429134396 /nfs/dbraw/zinc/13/43/96/429134396.db2.gz QPJJXRYQUWZEMH-ZDUSSCGKSA-N 1 3 318.852 2.952 20 0 DFADHO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1OC ZINC000424380364 429134637 /nfs/dbraw/zinc/13/46/37/429134637.db2.gz WYVCXNJFUPRODE-NUEKZKHPSA-N 1 3 322.449 2.641 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000424433819 429141128 /nfs/dbraw/zinc/14/11/28/429141128.db2.gz FJENHIJSHQITFB-UHFFFAOYSA-N 1 3 318.465 2.696 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363922262 429141387 /nfs/dbraw/zinc/14/13/87/429141387.db2.gz NZPXLQXOLGSQQG-BBWFWOEESA-N 1 3 315.461 2.929 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363922262 429141391 /nfs/dbraw/zinc/14/13/91/429141391.db2.gz NZPXLQXOLGSQQG-BBWFWOEESA-N 1 3 315.461 2.929 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(C/C=C/c2ccncc2)C1 ZINC000494958408 429166330 /nfs/dbraw/zinc/16/63/30/429166330.db2.gz VYTMLMKIWGGUOT-DUMMIQTOSA-N 1 3 303.450 2.528 20 0 DFADHO c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3ccncc3)CC1)CO2 ZINC000294178570 275070321 /nfs/dbraw/zinc/07/03/21/275070321.db2.gz JXCNTBAEEPWIEQ-QGZVFWFLSA-N 1 3 309.413 2.644 20 0 DFADHO CC1(C)NC(=O)CC[C@H]1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000495069357 429176072 /nfs/dbraw/zinc/17/60/72/429176072.db2.gz SBLFXAIAHKQULK-DLBZAZTESA-N 1 3 321.509 2.678 20 0 DFADHO CC1(C)NC(=O)CC[C@H]1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000495069357 429176074 /nfs/dbraw/zinc/17/60/74/429176074.db2.gz SBLFXAIAHKQULK-DLBZAZTESA-N 1 3 321.509 2.678 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2cc3c(cccc3F)[nH]2)CC1 ZINC000436308588 429195242 /nfs/dbraw/zinc/19/52/42/429195242.db2.gz MSKXOIWEOZJTIS-UHFFFAOYSA-N 1 3 319.424 2.632 20 0 DFADHO CC(C)COC(=O)N1CCC([NH2+]CCCN(C)C(C)C)CC1 ZINC000495615356 429231689 /nfs/dbraw/zinc/23/16/89/429231689.db2.gz ALMTVTACYJREDP-UHFFFAOYSA-N 1 3 313.486 2.563 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425407116 429286856 /nfs/dbraw/zinc/28/68/56/429286856.db2.gz OAZUNOGDSFGBMC-QGZVFWFLSA-N 1 3 323.525 2.830 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425407116 429286860 /nfs/dbraw/zinc/28/68/60/429286860.db2.gz OAZUNOGDSFGBMC-QGZVFWFLSA-N 1 3 323.525 2.830 20 0 DFADHO COc1cc(CN2CCC[C@H](CC[NH3+])C2)c(SC)cc1OC ZINC000442931678 429241215 /nfs/dbraw/zinc/24/12/15/429241215.db2.gz WKBFTPZSPWTYBR-CYBMUJFWSA-N 1 3 324.490 2.987 20 0 DFADHO CC[C@H]([NH3+])C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000364851144 429267558 /nfs/dbraw/zinc/26/75/58/429267558.db2.gz OIHUUQFVYHIKCM-VNQPRFMTSA-N 1 3 323.868 2.576 20 0 DFADHO CC(C)N(C)CCC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495801428 429269704 /nfs/dbraw/zinc/26/97/04/429269704.db2.gz CQBVJYAXUKECOS-CQSZACIVSA-N 1 3 313.486 2.562 20 0 DFADHO C[C@H](Cc1coc2ccccc12)NC[C@H](O)C[NH+]1CCCCC1 ZINC000449089955 429329728 /nfs/dbraw/zinc/32/97/28/429329728.db2.gz FOWRSGGUCJJABK-WBVHZDCISA-N 1 3 316.445 2.800 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CCC1 ZINC000449109432 429334233 /nfs/dbraw/zinc/33/42/33/429334233.db2.gz WSDVLCBOXGUSQO-IBGZPJMESA-N 1 3 316.493 2.762 20 0 DFADHO COC(=O)[C@@H]1CCCCC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000449415542 429408095 /nfs/dbraw/zinc/40/80/95/429408095.db2.gz ORTVUEXHGBUXHJ-CVEARBPZSA-N 1 3 310.482 2.961 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457121306 429408211 /nfs/dbraw/zinc/40/82/11/429408211.db2.gz ODYVVJQSDZSSLM-KRWDZBQOSA-N 1 3 311.514 2.830 20 0 DFADHO c1c(CNCCCOC2CCCCC2)onc1C1CC[NH2+]CC1 ZINC000425892905 429349046 /nfs/dbraw/zinc/34/90/46/429349046.db2.gz CDBPBPZVFQBPDK-UHFFFAOYSA-N 1 3 321.465 2.971 20 0 DFADHO CC(C)[C@H]1C[C@H](CNCc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425892866 429349353 /nfs/dbraw/zinc/34/93/53/429349353.db2.gz AVJDHKALXLPKKY-RDTXWAMCSA-N 1 3 321.465 2.682 20 0 DFADHO c1c(CNCC2(c3ccccc3)CC2)onc1C1CC[NH2+]CC1 ZINC000425899267 429351594 /nfs/dbraw/zinc/35/15/94/429351594.db2.gz KSDJHAXLEILLCV-UHFFFAOYSA-N 1 3 311.429 2.963 20 0 DFADHO Cc1cc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cs1 ZINC000449234100 429363801 /nfs/dbraw/zinc/36/38/01/429363801.db2.gz ARVVGCSVAYHEDD-UHFFFAOYSA-N 1 3 321.534 2.906 20 0 DFADHO C[NH+](C)C/C=C\C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000491642431 429383640 /nfs/dbraw/zinc/38/36/40/429383640.db2.gz MLQYDTPSSYRIJL-YFHOEESVSA-N 1 3 301.434 2.729 20 0 DFADHO Cc1ccc([C@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000449331262 429389147 /nfs/dbraw/zinc/38/91/47/429389147.db2.gz XWAOUGHCBREUGE-BZSNNMDCSA-N 1 3 317.477 2.622 20 0 DFADHO CC(C)[C@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)N(C)C ZINC000278281353 275695690 /nfs/dbraw/zinc/69/56/90/275695690.db2.gz PXVVBLHYJZOUTO-QZTJIDSGSA-N 1 3 313.445 2.542 20 0 DFADHO CN1CC[C@@H](C[NH2+]Cc2cnc3cnccn23)[C@@H]1c1ccccc1 ZINC000366449781 429454234 /nfs/dbraw/zinc/45/42/34/429454234.db2.gz NPSZDKUKDGNPNM-LPHOPBHVSA-N 1 3 321.428 2.512 20 0 DFADHO CSc1ccc([C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000518397092 429421351 /nfs/dbraw/zinc/42/13/51/429421351.db2.gz OOABECQTIFVHJK-UXLLHSPISA-N 1 3 307.507 2.871 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1C=CCCC1 ZINC000427100066 429430764 /nfs/dbraw/zinc/43/07/64/429430764.db2.gz KOPYWINEYREPPV-QZTJIDSGSA-N 1 3 321.509 2.607 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1C=CCCC1 ZINC000427100066 429430768 /nfs/dbraw/zinc/43/07/68/429430768.db2.gz KOPYWINEYREPPV-QZTJIDSGSA-N 1 3 321.509 2.607 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366532990 429471428 /nfs/dbraw/zinc/47/14/28/429471428.db2.gz GPIKUZMOPLYXLO-LJQANCHMSA-N 1 3 310.445 2.708 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366532990 429471432 /nfs/dbraw/zinc/47/14/32/429471432.db2.gz GPIKUZMOPLYXLO-LJQANCHMSA-N 1 3 310.445 2.708 20 0 DFADHO c1cn2c(n1)C[C@@H](NC1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000427873526 429476401 /nfs/dbraw/zinc/47/64/01/429476401.db2.gz ZOTZIBGSZXJSFN-INIZCTEOSA-N 1 3 302.466 2.585 20 0 DFADHO c1cn2c(n1)C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC000427873526 429476403 /nfs/dbraw/zinc/47/64/03/429476403.db2.gz ZOTZIBGSZXJSFN-INIZCTEOSA-N 1 3 302.466 2.585 20 0 DFADHO O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000449735024 429491715 /nfs/dbraw/zinc/49/17/15/429491715.db2.gz FPXBIJQOPIUBCJ-OMQSBVIBSA-N 1 3 314.473 2.648 20 0 DFADHO COc1cc(F)cc(C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000449783044 429510665 /nfs/dbraw/zinc/51/06/65/429510665.db2.gz MVZCPRYGSWYFGY-IAOVAPTHSA-N 1 3 306.425 2.982 20 0 DFADHO COc1cc(F)cc(C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000449783044 429510669 /nfs/dbraw/zinc/51/06/69/429510669.db2.gz MVZCPRYGSWYFGY-IAOVAPTHSA-N 1 3 306.425 2.982 20 0 DFADHO CC[N@H+](CCC1CCN(C(=O)/C=C/CN(C)C)CC1)CC(C)C ZINC000492323615 429513260 /nfs/dbraw/zinc/51/32/60/429513260.db2.gz OBACEYJQQCVFGP-BQYQJAHWSA-N 1 3 323.525 2.711 20 0 DFADHO CC[N@@H+](CCC1CCN(C(=O)/C=C/CN(C)C)CC1)CC(C)C ZINC000492323615 429513265 /nfs/dbraw/zinc/51/32/65/429513265.db2.gz OBACEYJQQCVFGP-BQYQJAHWSA-N 1 3 323.525 2.711 20 0 DFADHO CN1CCC[C@H](C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000521414165 429550275 /nfs/dbraw/zinc/55/02/75/429550275.db2.gz YTJZGJUWBVGUFP-NZSAHSFTSA-N 1 3 301.478 2.753 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)c1 ZINC000366977101 429551200 /nfs/dbraw/zinc/55/12/00/429551200.db2.gz LJZXIVGZBNXVGD-SJLPKXTDSA-N 1 3 315.461 2.870 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)c1 ZINC000366977101 429551203 /nfs/dbraw/zinc/55/12/03/429551203.db2.gz LJZXIVGZBNXVGD-SJLPKXTDSA-N 1 3 315.461 2.870 20 0 DFADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCC23CCOCC3)c1 ZINC000367050087 429564705 /nfs/dbraw/zinc/56/47/05/429564705.db2.gz LWYQYKATBFIMJR-GOSISDBHSA-N 1 3 318.461 2.676 20 0 DFADHO C[C@@H](c1ccccc1)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367117329 429581846 /nfs/dbraw/zinc/58/18/46/429581846.db2.gz NZDDJPBTGHXGFK-QFBILLFUSA-N 1 3 301.478 2.848 20 0 DFADHO C[C@@H](c1ccccc1)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367117329 429581852 /nfs/dbraw/zinc/58/18/52/429581852.db2.gz NZDDJPBTGHXGFK-QFBILLFUSA-N 1 3 301.478 2.848 20 0 DFADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000492819328 429623786 /nfs/dbraw/zinc/62/37/86/429623786.db2.gz RFMIKZOVRPLEGB-QAPCUYQASA-N 1 3 321.509 2.678 20 0 DFADHO CC(C)(C)[NH2+]CCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000429396784 429604351 /nfs/dbraw/zinc/60/43/51/429604351.db2.gz HCXQVXIDYLLTPY-UHFFFAOYSA-N 1 3 317.477 2.790 20 0 DFADHO Cc1cc(NC(=O)C2CC[NH+](C3CC3)CC2)ccc1CN(C)C ZINC000458258950 429608123 /nfs/dbraw/zinc/60/81/23/429608123.db2.gz FZXKEDUFVJNQEA-UHFFFAOYSA-N 1 3 315.461 2.870 20 0 DFADHO Cc1cc(NC(=O)CC2CCN(C)CC2)ccc1C[NH+](C)C ZINC000458257871 429608887 /nfs/dbraw/zinc/60/88/87/429608887.db2.gz DQUZZGUDBYSEOA-UHFFFAOYSA-N 1 3 303.450 2.727 20 0 DFADHO Cc1cc(NC(=O)CC2CC[NH+](C)CC2)ccc1CN(C)C ZINC000458257871 429608890 /nfs/dbraw/zinc/60/88/90/429608890.db2.gz DQUZZGUDBYSEOA-UHFFFAOYSA-N 1 3 303.450 2.727 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@H]1CCC(F)(F)C1 ZINC000450600355 429658449 /nfs/dbraw/zinc/65/84/49/429658449.db2.gz NLLIBECSKFREPT-YJNKXOJESA-N 1 3 302.409 2.605 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@@H]1CCCCC1(F)F ZINC000450598605 429659110 /nfs/dbraw/zinc/65/91/10/429659110.db2.gz JQAACYVRXLWARL-ZJIFWQFVSA-N 1 3 316.436 2.995 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H]2CCC[C@H]21 ZINC000367518458 429663407 /nfs/dbraw/zinc/66/34/07/429663407.db2.gz IIVXYDRUDIYQTP-SLFFLAALSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)[C@@H]2CCC[C@H]21 ZINC000367518458 429663411 /nfs/dbraw/zinc/66/34/11/429663411.db2.gz IIVXYDRUDIYQTP-SLFFLAALSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)[C@@H]2CCC[C@H]21 ZINC000367518458 429663416 /nfs/dbraw/zinc/66/34/16/429663416.db2.gz IIVXYDRUDIYQTP-SLFFLAALSA-N 1 3 324.472 2.894 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H]2CCC[C@@H]21 ZINC000367518456 429663908 /nfs/dbraw/zinc/66/39/08/429663908.db2.gz IIVXYDRUDIYQTP-AABGKKOBSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)[C@H]2CCC[C@@H]21 ZINC000367518456 429663912 /nfs/dbraw/zinc/66/39/12/429663912.db2.gz IIVXYDRUDIYQTP-AABGKKOBSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)[C@H]2CCC[C@@H]21 ZINC000367518456 429663916 /nfs/dbraw/zinc/66/39/16/429663916.db2.gz IIVXYDRUDIYQTP-AABGKKOBSA-N 1 3 324.472 2.894 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H]2CCC[C@H]21 ZINC000367518457 429664447 /nfs/dbraw/zinc/66/44/47/429664447.db2.gz IIVXYDRUDIYQTP-HSALFYBXSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)[C@H]2CCC[C@H]21 ZINC000367518457 429664450 /nfs/dbraw/zinc/66/44/50/429664450.db2.gz IIVXYDRUDIYQTP-HSALFYBXSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)[C@H]2CCC[C@H]21 ZINC000367518457 429664452 /nfs/dbraw/zinc/66/44/52/429664452.db2.gz IIVXYDRUDIYQTP-HSALFYBXSA-N 1 3 324.472 2.894 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CCCCC1(F)F ZINC000450624453 429665504 /nfs/dbraw/zinc/66/55/04/429665504.db2.gz AQHUXIUFIYLRAP-HNNXBMFYSA-N 1 3 317.468 2.770 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CCCCC1(F)F ZINC000450624453 429665509 /nfs/dbraw/zinc/66/55/09/429665509.db2.gz AQHUXIUFIYLRAP-HNNXBMFYSA-N 1 3 317.468 2.770 20 0 DFADHO CC(C)[C@H](C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)N(C)C ZINC000363089509 276012434 /nfs/dbraw/zinc/01/24/34/276012434.db2.gz ICCQHBBSSMRYEN-VMWRSERWSA-N 1 3 323.525 2.732 20 0 DFADHO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000367539336 429668464 /nfs/dbraw/zinc/66/84/64/429668464.db2.gz YRUUNJBICRTDNK-MZMPZRCHSA-N 1 3 304.482 2.507 20 0 DFADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(NC(C)=O)cc1 ZINC000289466093 276123310 /nfs/dbraw/zinc/12/33/10/276123310.db2.gz OWQQAHPFTZHZAG-UHFFFAOYSA-N 1 3 303.450 2.953 20 0 DFADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(NC(C)=O)cc1 ZINC000289466093 276123311 /nfs/dbraw/zinc/12/33/11/276123311.db2.gz OWQQAHPFTZHZAG-UHFFFAOYSA-N 1 3 303.450 2.953 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)[C@@H](C)C1 ZINC000367601027 429681161 /nfs/dbraw/zinc/68/11/61/429681161.db2.gz MAPZPCKRROHCKL-BHYGNILZSA-N 1 3 320.481 2.514 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1F ZINC000367603082 429681205 /nfs/dbraw/zinc/68/12/05/429681205.db2.gz YDYUWZPMVCUIIX-QRQLOZEOSA-N 1 3 319.468 2.850 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1F ZINC000367603082 429681210 /nfs/dbraw/zinc/68/12/10/429681210.db2.gz YDYUWZPMVCUIIX-QRQLOZEOSA-N 1 3 319.468 2.850 20 0 DFADHO CN(C)Cc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)ccc1F ZINC000367603082 429681216 /nfs/dbraw/zinc/68/12/16/429681216.db2.gz YDYUWZPMVCUIIX-QRQLOZEOSA-N 1 3 319.468 2.850 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000360212753 276271353 /nfs/dbraw/zinc/27/13/53/276271353.db2.gz KTTWKJIBGMJAJM-SJORKVTESA-N 1 3 323.456 2.711 20 0 DFADHO COc1ccc(COCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1 ZINC000367612606 429685782 /nfs/dbraw/zinc/68/57/82/429685782.db2.gz DMBSDRVIGPZMKT-OTWHNJEPSA-N 1 3 318.461 2.674 20 0 DFADHO COc1ccc(COCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367612606 429685785 /nfs/dbraw/zinc/68/57/85/429685785.db2.gz DMBSDRVIGPZMKT-OTWHNJEPSA-N 1 3 318.461 2.674 20 0 DFADHO COc1ccc(COCCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367612606 429685790 /nfs/dbraw/zinc/68/57/90/429685790.db2.gz DMBSDRVIGPZMKT-OTWHNJEPSA-N 1 3 318.461 2.674 20 0 DFADHO CC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000367621289 429687868 /nfs/dbraw/zinc/68/78/68/429687868.db2.gz ZVOCVNKCODMVOI-KZNAEPCWSA-N 1 3 301.434 2.607 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)[C@H](C)C1 ZINC000367601028 276316083 /nfs/dbraw/zinc/31/60/83/276316083.db2.gz MAPZPCKRROHCKL-HYVNUMGLSA-N 1 3 320.481 2.514 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430578334 429695990 /nfs/dbraw/zinc/69/59/90/429695990.db2.gz YLUXZRDCLJAKBE-OLZOCXBDSA-N 1 3 309.841 2.728 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000154225626 276384104 /nfs/dbraw/zinc/38/41/04/276384104.db2.gz YVCIJRXPALKBAB-SFHVURJKSA-N 1 3 317.521 2.970 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000430641405 429705524 /nfs/dbraw/zinc/70/55/24/429705524.db2.gz SSTRQVJPNDKUPU-CZUORRHYSA-N 1 3 307.413 2.664 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000430641405 429705527 /nfs/dbraw/zinc/70/55/27/429705527.db2.gz SSTRQVJPNDKUPU-CZUORRHYSA-N 1 3 307.413 2.664 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H](N)c2ccccc2)C[C@@H]1C ZINC000430797350 429717623 /nfs/dbraw/zinc/71/76/23/429717623.db2.gz OMTBLZVFQZNEEQ-CIRFHOKZSA-N 1 3 317.477 2.654 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H](N)c2ccccc2)C[C@@H]1C ZINC000430797350 429717625 /nfs/dbraw/zinc/71/76/25/429717625.db2.gz OMTBLZVFQZNEEQ-CIRFHOKZSA-N 1 3 317.477 2.654 20 0 DFADHO CC(C)[C@H](O)CN1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000367795453 429717991 /nfs/dbraw/zinc/71/79/91/429717991.db2.gz VVKLEUDWEBPVOP-RTBURBONSA-N 1 3 304.478 2.990 20 0 DFADHO CC(C)[C@H](O)CN1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000367795453 429717994 /nfs/dbraw/zinc/71/79/94/429717994.db2.gz VVKLEUDWEBPVOP-RTBURBONSA-N 1 3 304.478 2.990 20 0 DFADHO CN(C(=[NH2+])NC[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000367809449 429722187 /nfs/dbraw/zinc/72/21/87/429722187.db2.gz GHASTMSWZZFZTJ-CZUORRHYSA-N 1 3 320.868 2.951 20 0 DFADHO CCN(CC)c1ncc(CN2CCC3(CC[NH2+]C3)CC2)s1 ZINC000430909503 429722723 /nfs/dbraw/zinc/72/27/23/429722723.db2.gz OINQXSYHKWHXIW-UHFFFAOYSA-N 1 3 308.495 2.565 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](C(C)(C)C)C2)CC1 ZINC000483237856 429732924 /nfs/dbraw/zinc/73/29/24/429732924.db2.gz BUWCIEJEPGVVFX-MRXNPFEDSA-N 1 3 323.525 2.734 20 0 DFADHO CCC[NH+]1CCC(N[C@H]2CCN(c3ccccc3F)C2)CC1 ZINC000368139184 429796932 /nfs/dbraw/zinc/79/69/32/429796932.db2.gz HNHZHDOGUMMEQC-INIZCTEOSA-N 1 3 305.441 2.868 20 0 DFADHO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000451001708 429748835 /nfs/dbraw/zinc/74/88/35/429748835.db2.gz AOGNPCDBUDLHPM-KRWDZBQOSA-N 1 3 321.509 2.726 20 0 DFADHO CN1CCN(CC2CC[NH+]([C@H]3CCc4ccccc43)CC2)CC1 ZINC000368052438 429775119 /nfs/dbraw/zinc/77/51/19/429775119.db2.gz VZNRMDQSWXCVHJ-FQEVSTJZSA-N 1 3 313.489 2.633 20 0 DFADHO COc1cc2ccccc2cc1CNCCOCC[NH+](C)C ZINC000451152906 429775904 /nfs/dbraw/zinc/77/59/04/429775904.db2.gz DCZVAEWIOUXUNU-UHFFFAOYSA-N 1 3 302.418 2.516 20 0 DFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527692318 429780618 /nfs/dbraw/zinc/78/06/18/429780618.db2.gz SBFFKQFNKAFFPU-FCDRMGDPSA-N 1 3 314.473 2.777 20 0 DFADHO C[C@@H]1CCCCN1CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431745478 429781239 /nfs/dbraw/zinc/78/12/39/429781239.db2.gz QSQZPGYXOAJYJS-SJLPKXTDSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@H]1C[N@H+](CCCNCc2ccc3cc[nH]c3c2)CCCO1 ZINC000527700537 429781387 /nfs/dbraw/zinc/78/13/87/429781387.db2.gz MCRMPTRDASZKGJ-HNNXBMFYSA-N 1 3 301.434 2.758 20 0 DFADHO C[C@H]1C[N@@H+](CCCNCc2ccc3cc[nH]c3c2)CCCO1 ZINC000527700537 429781389 /nfs/dbraw/zinc/78/13/89/429781389.db2.gz MCRMPTRDASZKGJ-HNNXBMFYSA-N 1 3 301.434 2.758 20 0 DFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000431788940 429781911 /nfs/dbraw/zinc/78/19/11/429781911.db2.gz OVLNNLVMCQZNCX-NVXWUHKLSA-N 1 3 309.498 2.630 20 0 DFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000431788940 429781913 /nfs/dbraw/zinc/78/19/13/429781913.db2.gz OVLNNLVMCQZNCX-NVXWUHKLSA-N 1 3 309.498 2.630 20 0 DFADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000451194660 429785702 /nfs/dbraw/zinc/78/57/02/429785702.db2.gz WHZLOXBSDLUAOD-WMZOPIPTSA-N 1 3 321.509 2.726 20 0 DFADHO CN(C)[C@@H](CC(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000431906662 429790136 /nfs/dbraw/zinc/79/01/36/429790136.db2.gz HFYOVUQWMHHKNL-KRWDZBQOSA-N 1 3 317.477 2.670 20 0 DFADHO FC1(F)Oc2cccc(CCN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2O1 ZINC000527754333 429792279 /nfs/dbraw/zinc/79/22/79/429792279.db2.gz JRKVOLGVQIWTDO-ZIAGYGMSSA-N 1 3 324.371 2.767 20 0 DFADHO FC1(F)Oc2cccc(CCN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2O1 ZINC000527754333 429792283 /nfs/dbraw/zinc/79/22/83/429792283.db2.gz JRKVOLGVQIWTDO-ZIAGYGMSSA-N 1 3 324.371 2.767 20 0 DFADHO COc1cccc([C@@H](C[NH2+]C2CCN(C(C)C)CC2)OC)c1 ZINC000527920583 429821841 /nfs/dbraw/zinc/82/18/41/429821841.db2.gz NUYQJJVHNSBQSX-GOSISDBHSA-N 1 3 306.450 2.845 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)OC)c1 ZINC000527930781 429823771 /nfs/dbraw/zinc/82/37/71/429823771.db2.gz WAHDOBHUHICMNW-RDGPPVDQSA-N 1 3 318.461 2.845 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)OC)c1 ZINC000527930781 429823773 /nfs/dbraw/zinc/82/37/73/429823773.db2.gz WAHDOBHUHICMNW-RDGPPVDQSA-N 1 3 318.461 2.845 20 0 DFADHO CN(C)c1ccncc1CNC[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000368281334 429824446 /nfs/dbraw/zinc/82/44/46/429824446.db2.gz BJARFKWBDHQZMR-FXAWDEMLSA-N 1 3 324.472 2.930 20 0 DFADHO CN(C)c1ccncc1CNC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000368281334 429824449 /nfs/dbraw/zinc/82/44/49/429824449.db2.gz BJARFKWBDHQZMR-FXAWDEMLSA-N 1 3 324.472 2.930 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368445210 429851075 /nfs/dbraw/zinc/85/10/75/429851075.db2.gz ITNNDCRKWAOJEX-NUJGCVRESA-N 1 3 315.461 2.644 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368445210 429851077 /nfs/dbraw/zinc/85/10/77/429851077.db2.gz ITNNDCRKWAOJEX-NUJGCVRESA-N 1 3 315.461 2.644 20 0 DFADHO C(CCN1CCO[C@@H]2CCC[C@@H]21)CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000368736153 429890981 /nfs/dbraw/zinc/89/09/81/429890981.db2.gz NHGVHQXZZAXYKL-INDMIFKZSA-N 1 3 322.493 2.663 20 0 DFADHO C(CCN1CCO[C@@H]2CCC[C@@H]21)CC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000368736153 429890983 /nfs/dbraw/zinc/89/09/83/429890983.db2.gz NHGVHQXZZAXYKL-INDMIFKZSA-N 1 3 322.493 2.663 20 0 DFADHO CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000528478085 429891691 /nfs/dbraw/zinc/89/16/91/429891691.db2.gz SOWLFRGYLSSENJ-ROUUACIJSA-N 1 3 308.441 2.799 20 0 DFADHO CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000528478085 429891693 /nfs/dbraw/zinc/89/16/93/429891693.db2.gz SOWLFRGYLSSENJ-ROUUACIJSA-N 1 3 308.441 2.799 20 0 DFADHO CO[C@@H](Cc1ccc(F)cc1)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000528512753 429895578 /nfs/dbraw/zinc/89/55/78/429895578.db2.gz NFUQFHJHFJHENZ-RBUKOAKNSA-N 1 3 320.452 2.801 20 0 DFADHO CO[C@@H](Cc1ccc(F)cc1)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000528512753 429895579 /nfs/dbraw/zinc/89/55/79/429895579.db2.gz NFUQFHJHFJHENZ-RBUKOAKNSA-N 1 3 320.452 2.801 20 0 DFADHO CN1CCN(CC2(C)CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000368834860 429897636 /nfs/dbraw/zinc/89/76/36/429897636.db2.gz PSSDZXPWQYAZAT-UHFFFAOYSA-N 1 3 315.505 2.579 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528746552 429912097 /nfs/dbraw/zinc/91/20/97/429912097.db2.gz WKDPZGDXSQDVGJ-IAGOWNOFSA-N 1 3 308.441 2.706 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528746552 429912099 /nfs/dbraw/zinc/91/20/99/429912099.db2.gz WKDPZGDXSQDVGJ-IAGOWNOFSA-N 1 3 308.441 2.706 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)CC1 ZINC000369122238 429914062 /nfs/dbraw/zinc/91/40/62/429914062.db2.gz OFDQODWBCMBDIP-MOPGFXCFSA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)CC1 ZINC000369122238 429914064 /nfs/dbraw/zinc/91/40/64/429914064.db2.gz OFDQODWBCMBDIP-MOPGFXCFSA-N 1 3 307.526 2.915 20 0 DFADHO CCn1cc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)cn1 ZINC000369185873 429918275 /nfs/dbraw/zinc/91/82/75/429918275.db2.gz XZCCAJCGDFUSEG-LJQANCHMSA-N 1 3 312.461 2.905 20 0 DFADHO CC(C)(C)OC(=O)N1CC[C@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000494416712 429870936 /nfs/dbraw/zinc/87/09/36/429870936.db2.gz GCAMHQCIPVQKCO-HNNXBMFYSA-N 1 3 323.481 2.602 20 0 DFADHO CC1CCC([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000557898069 429958011 /nfs/dbraw/zinc/95/80/11/429958011.db2.gz ZBBLMSOLCKBQEG-PPSBMQLTSA-N 1 3 302.462 2.922 20 0 DFADHO COc1nc(C)cc(C)c1CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639755166 429970933 /nfs/dbraw/zinc/97/09/33/429970933.db2.gz HCYORJHZDHCSLB-UHFFFAOYSA-N 1 3 303.450 2.625 20 0 DFADHO CC[C@]1(CN[C@@H]2CC[N@H+](C)C[C@H]2C)OCCc2ccccc21 ZINC000558500701 429975207 /nfs/dbraw/zinc/97/52/07/429975207.db2.gz JTUSYJUWPVWSFE-ATZDWAIDSA-N 1 3 302.462 2.794 20 0 DFADHO CC[C@]1(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)OCCc2ccccc21 ZINC000558500701 429975213 /nfs/dbraw/zinc/97/52/13/429975213.db2.gz JTUSYJUWPVWSFE-ATZDWAIDSA-N 1 3 302.462 2.794 20 0 DFADHO CN(C)CCC[N@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000573288373 429940196 /nfs/dbraw/zinc/94/01/96/429940196.db2.gz YFFMNLYHAFPNIU-SFHVURJKSA-N 1 3 306.450 2.628 20 0 DFADHO CN(C)CCC[N@@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000573288373 429940202 /nfs/dbraw/zinc/94/02/02/429940202.db2.gz YFFMNLYHAFPNIU-SFHVURJKSA-N 1 3 306.450 2.628 20 0 DFADHO c1ccc(COCCN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639682880 429944184 /nfs/dbraw/zinc/94/41/84/429944184.db2.gz CJWLKNMNAPRKCC-UHFFFAOYSA-N 1 3 311.429 2.811 20 0 DFADHO CCc1cc(CCCN2CCCN(c3cc[nH+]cc3)CC2)on1 ZINC000639683161 429945700 /nfs/dbraw/zinc/94/57/00/429945700.db2.gz HSZOCLXAOQXSRQ-UHFFFAOYSA-N 1 3 314.433 2.777 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000369355911 276772285 /nfs/dbraw/zinc/77/22/85/276772285.db2.gz ZEWZYAASCSMRJE-QGZVFWFLSA-N 1 3 318.465 2.696 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000634723657 430089284 /nfs/dbraw/zinc/08/92/84/430089284.db2.gz AGUSFAQSFRDAKK-JCHJZTRSSA-N 1 3 302.462 2.648 20 0 DFADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530222819 430106355 /nfs/dbraw/zinc/10/63/55/430106355.db2.gz HRNAHXNAUFOTFG-BGUWFUEQSA-N 1 3 316.445 2.644 20 0 DFADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240394 430107531 /nfs/dbraw/zinc/10/75/31/430107531.db2.gz LJBRNJPLNMWBPG-QRQLOZEOSA-N 1 3 324.509 2.672 20 0 DFADHO C[NH+](C)CC1CCN([C@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000637907178 430166914 /nfs/dbraw/zinc/16/69/14/430166914.db2.gz HTYOFZPYHSOGOK-INIZCTEOSA-N 1 3 305.470 2.700 20 0 DFADHO C[NH+](C)CC1CCN([C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000637907178 430166917 /nfs/dbraw/zinc/16/69/17/430166917.db2.gz HTYOFZPYHSOGOK-INIZCTEOSA-N 1 3 305.470 2.700 20 0 DFADHO Cc1ccc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000581005958 430169802 /nfs/dbraw/zinc/16/98/02/430169802.db2.gz JLEQIBUOBXHOTJ-IEBWSBKVSA-N 1 3 312.413 2.976 20 0 DFADHO COc1cncc(CN2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000637958172 430184857 /nfs/dbraw/zinc/18/48/57/430184857.db2.gz NBXRVBZXJHZLJK-UHFFFAOYSA-N 1 3 305.466 2.951 20 0 DFADHO COc1cncc(CN2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000637958172 430184859 /nfs/dbraw/zinc/18/48/59/430184859.db2.gz NBXRVBZXJHZLJK-UHFFFAOYSA-N 1 3 305.466 2.951 20 0 DFADHO Nc1ccc(-c2cccc(CN3CCC(CC[NH3+])CC3)n2)cc1 ZINC000634996805 430186816 /nfs/dbraw/zinc/18/68/16/430186816.db2.gz VSFRHULSLPLPPZ-UHFFFAOYSA-N 1 3 310.445 2.892 20 0 DFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc2c(c1)COC2 ZINC000635006391 430194570 /nfs/dbraw/zinc/19/45/70/430194570.db2.gz BLILAPUBEOXVNN-CQSZACIVSA-N 1 3 324.428 2.695 20 0 DFADHO C[C@H]1CN(Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000634998846 430190164 /nfs/dbraw/zinc/19/01/64/430190164.db2.gz LSGJKIYXWXVAHC-ZFWWWQNUSA-N 1 3 324.428 2.860 20 0 DFADHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000635001346 430191825 /nfs/dbraw/zinc/19/18/25/430191825.db2.gz PUUVGCDRCLMDFW-YVFQKMDQSA-N 1 3 321.262 2.676 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc3c(c2)OCCCO3)[C@H]2CCC[C@H]21 ZINC000375808460 277172277 /nfs/dbraw/zinc/17/22/77/277172277.db2.gz RVPOXBPLWWENDI-IXDOHACOSA-N 1 3 316.445 2.810 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc3c(c2)OCCCO3)[C@H]2CCC[C@H]21 ZINC000375808460 277172278 /nfs/dbraw/zinc/17/22/78/277172278.db2.gz RVPOXBPLWWENDI-IXDOHACOSA-N 1 3 316.445 2.810 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H]2CCC[C@H]21 ZINC000375808460 277172279 /nfs/dbraw/zinc/17/22/79/277172279.db2.gz RVPOXBPLWWENDI-IXDOHACOSA-N 1 3 316.445 2.810 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc3c(c2)OCCCO3)[C@H]2CCC[C@@H]21 ZINC000375808459 277172360 /nfs/dbraw/zinc/17/23/60/277172360.db2.gz RVPOXBPLWWENDI-IKGGRYGDSA-N 1 3 316.445 2.810 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc3c(c2)OCCCO3)[C@H]2CCC[C@@H]21 ZINC000375808459 277172361 /nfs/dbraw/zinc/17/23/61/277172361.db2.gz RVPOXBPLWWENDI-IKGGRYGDSA-N 1 3 316.445 2.810 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H]2CCC[C@@H]21 ZINC000375808459 277172362 /nfs/dbraw/zinc/17/23/62/277172362.db2.gz RVPOXBPLWWENDI-IKGGRYGDSA-N 1 3 316.445 2.810 20 0 DFADHO CC[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(F)cn1 ZINC000635010332 430195879 /nfs/dbraw/zinc/19/58/79/430195879.db2.gz SHFNUGUTTRNEGD-HNNXBMFYSA-N 1 3 315.396 2.589 20 0 DFADHO CN(C)C(=O)C(C)(C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000581296667 430196166 /nfs/dbraw/zinc/19/61/66/430196166.db2.gz FRHDPVHWXHQUSL-UHFFFAOYSA-N 1 3 317.477 2.629 20 0 DFADHO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cccc3c2CCNC3)C12CCC2 ZINC000635008642 430196827 /nfs/dbraw/zinc/19/68/27/430196827.db2.gz FYCOSDUIWPVWQI-MORSLUCNSA-N 1 3 300.446 2.626 20 0 DFADHO FCCC[C@H]1CCC[C@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012856 430197623 /nfs/dbraw/zinc/19/76/23/430197623.db2.gz WIEMKXPBRRAVHB-GDBMZVCRSA-N 1 3 306.429 2.822 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCn1ccc(C(F)(F)F)n1 ZINC000635014433 430198103 /nfs/dbraw/zinc/19/81/03/430198103.db2.gz ULIDUUHKGRVHTI-QWHCGFSZSA-N 1 3 318.387 2.802 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000638065593 430224749 /nfs/dbraw/zinc/22/47/49/430224749.db2.gz VGBSVVFUYZPEID-GOSISDBHSA-N 1 3 317.477 2.662 20 0 DFADHO Cc1ccc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)c(F)c1 ZINC000638045807 430216888 /nfs/dbraw/zinc/21/68/88/430216888.db2.gz RREZIOIRRAZVFF-HNNXBMFYSA-N 1 3 308.441 2.659 20 0 DFADHO CC(C)[NH+]1CCC(N2CCN(CC3(C(C)C)CC3)CC2)CC1 ZINC000638152135 430253340 /nfs/dbraw/zinc/25/33/40/430253340.db2.gz JSEFZVGVSSOYOL-UHFFFAOYSA-N 1 3 307.526 2.913 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)C(C)C)CC2)CC1 ZINC000566432982 430260566 /nfs/dbraw/zinc/26/05/66/430260566.db2.gz MAXHEOITNCBDRT-INIZCTEOSA-N 1 3 323.525 2.686 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000638205364 430273496 /nfs/dbraw/zinc/27/34/96/430273496.db2.gz PLVNJFSVNQGHFT-MSOLQXFVSA-N 1 3 313.445 2.719 20 0 DFADHO Cn1ccnc1[C@H](C1CC1)N1CCC(CCC[NH+](C)C)CC1 ZINC000638120729 430241127 /nfs/dbraw/zinc/24/11/27/430241127.db2.gz HIWZKNMJWMBTKN-KRWDZBQOSA-N 1 3 304.482 2.925 20 0 DFADHO CC[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc(OC)cc1 ZINC000638282584 430293801 /nfs/dbraw/zinc/29/38/01/430293801.db2.gz FOOFVIDAQSYBKB-GOSISDBHSA-N 1 3 320.477 2.971 20 0 DFADHO CN(C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000545310117 430313954 /nfs/dbraw/zinc/31/39/54/430313954.db2.gz OREZHOILTBMEPP-QGZVFWFLSA-N 1 3 309.498 2.584 20 0 DFADHO CN(C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000545310117 430313957 /nfs/dbraw/zinc/31/39/57/430313957.db2.gz OREZHOILTBMEPP-QGZVFWFLSA-N 1 3 309.498 2.584 20 0 DFADHO C[C@@H](C[NH2+]C[C@H]1CCN(c2ccccc2)C1)CN1CCCC1 ZINC000638386782 430325754 /nfs/dbraw/zinc/32/57/54/430325754.db2.gz OZBVCAJECILZOI-ZWKOTPCHSA-N 1 3 301.478 2.834 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635651023 430335300 /nfs/dbraw/zinc/33/53/00/430335300.db2.gz GYEKJXPEEXAWAM-UHFFFAOYSA-N 1 3 315.461 2.871 20 0 DFADHO CC[C@H](N)c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179252 430353649 /nfs/dbraw/zinc/35/36/49/430353649.db2.gz HQGADPRKNRBACW-KRWDZBQOSA-N 1 3 313.449 2.722 20 0 DFADHO CC(C)(C[NH2+]C[C@@H](O)CCc1ccccc1)CN1CCCC1 ZINC000568502389 430363784 /nfs/dbraw/zinc/36/37/84/430363784.db2.gz ODKQSRSUDMQMHS-SFHVURJKSA-N 1 3 304.478 2.692 20 0 DFADHO CC(C)(CNC[C@@H](O)CCc1ccccc1)C[NH+]1CCCC1 ZINC000568502389 430363787 /nfs/dbraw/zinc/36/37/87/430363787.db2.gz ODKQSRSUDMQMHS-SFHVURJKSA-N 1 3 304.478 2.692 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)CS1 ZINC000638539286 430371286 /nfs/dbraw/zinc/37/12/86/430371286.db2.gz MLLQYGJJNPPRDR-GOEBONIOSA-N 1 3 308.491 2.653 20 0 DFADHO Cc1cnc(CCN(C)Cc2ccc3c(c2)C[NH2+]CC3)s1 ZINC000568641785 430377714 /nfs/dbraw/zinc/37/77/14/430377714.db2.gz QLLQACPFSQLTNW-UHFFFAOYSA-N 1 3 301.459 2.772 20 0 DFADHO CO[C@H](C[NH2+]C[C@H]1CCCN(C(C)C)C1)Cc1ccccc1 ZINC000638566784 430378543 /nfs/dbraw/zinc/37/85/43/430378543.db2.gz QNBPYVYDEKYWEH-MOPGFXCFSA-N 1 3 304.478 2.954 20 0 DFADHO C[NH+]1CCC(CNCc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638566245 430378619 /nfs/dbraw/zinc/37/86/19/430378619.db2.gz DRARATXNOGIBSP-UHFFFAOYSA-N 1 3 305.372 2.944 20 0 DFADHO C[C@H]1C[C@@H](NCCC(=O)Nc2cccc(Cl)c2)CC[N@@H+]1C ZINC000568740307 430386645 /nfs/dbraw/zinc/38/66/45/430386645.db2.gz FEMUPDZMUJCOCP-JSGCOSHPSA-N 1 3 309.841 2.741 20 0 DFADHO C[C@H]1C[C@@H](NCCC(=O)Nc2cccc(Cl)c2)CC[N@H+]1C ZINC000568740307 430386647 /nfs/dbraw/zinc/38/66/47/430386647.db2.gz FEMUPDZMUJCOCP-JSGCOSHPSA-N 1 3 309.841 2.741 20 0 DFADHO CC(C)c1nc([C@H](C)NCCCC[NH+]2CCN(C)CC2)cs1 ZINC000547399731 430391127 /nfs/dbraw/zinc/39/11/27/430391127.db2.gz PUTLSQSUKCEAIV-HNNXBMFYSA-N 1 3 324.538 2.945 20 0 DFADHO CC(C)(O)CN1CCC([NH2+][C@@H]2CSc3ccccc32)CC1 ZINC000638655241 430401299 /nfs/dbraw/zinc/40/12/99/430401299.db2.gz IACVIUYKTCIXSC-OAHLLOKOSA-N 1 3 306.475 2.658 20 0 DFADHO CC(C)(O)CN1CCC([NH2+][C@H]2CSc3ccccc32)CC1 ZINC000638655239 430401613 /nfs/dbraw/zinc/40/16/13/430401613.db2.gz IACVIUYKTCIXSC-HNNXBMFYSA-N 1 3 306.475 2.658 20 0 DFADHO Cc1nn(-c2ccncc2)cc1CN[C@@H](C[NH3+])C1CCCCC1 ZINC000583552470 430406194 /nfs/dbraw/zinc/40/61/94/430406194.db2.gz GQQRKQOQVSPSTO-SFHVURJKSA-N 1 3 313.449 2.573 20 0 DFADHO CCN1CCCC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548064242 430443019 /nfs/dbraw/zinc/44/30/19/430443019.db2.gz DWKSSLKQPSVLMX-QGZVFWFLSA-N 1 3 309.498 2.632 20 0 DFADHO CCN1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548064242 430443022 /nfs/dbraw/zinc/44/30/22/430443022.db2.gz DWKSSLKQPSVLMX-QGZVFWFLSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H](O)[C@](C)(CN[C@@H](C)[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000583928630 430443073 /nfs/dbraw/zinc/44/30/73/430443073.db2.gz MEMMXIPVBVZEHC-ISARSNTHSA-N 1 3 304.478 2.594 20 0 DFADHO C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CCCNC1)Cc1ccccc1 ZINC000583928630 430443074 /nfs/dbraw/zinc/44/30/74/430443074.db2.gz MEMMXIPVBVZEHC-ISARSNTHSA-N 1 3 304.478 2.594 20 0 DFADHO C[N@H+]1CC=C(CNCc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638839086 430451549 /nfs/dbraw/zinc/45/15/49/430451549.db2.gz XAFREWOGWGRZQO-UHFFFAOYSA-N 1 3 300.233 2.927 20 0 DFADHO C[N@@H+]1CC=C(CNCc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638839086 430451554 /nfs/dbraw/zinc/45/15/54/430451554.db2.gz XAFREWOGWGRZQO-UHFFFAOYSA-N 1 3 300.233 2.927 20 0 DFADHO C[C@H]([NH2+]CCN1CC[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548155711 430453188 /nfs/dbraw/zinc/45/31/88/430453188.db2.gz CIFXJNPMUVZGDX-WSTZPKSXSA-N 1 3 315.505 2.828 20 0 DFADHO CC(C)([NH3+])CC(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852039 430455336 /nfs/dbraw/zinc/45/53/36/430455336.db2.gz UQFMFBAASNVAHL-KRWDZBQOSA-N 1 3 317.477 2.675 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccncc1N ZINC000641737444 430457227 /nfs/dbraw/zinc/45/72/27/430457227.db2.gz VLLBUSHCGIRWNJ-HOTGVXAUSA-N 1 3 324.472 2.910 20 0 DFADHO CC[NH+](CC)CC[C@H](CO)N[C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000641769413 430467118 /nfs/dbraw/zinc/46/71/18/430467118.db2.gz BEAPPALERDMSPG-BHIYHBOVSA-N 1 3 319.493 2.790 20 0 DFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548394265 430468923 /nfs/dbraw/zinc/46/89/23/430468923.db2.gz OPMJDPSYLKIZGY-QGZVFWFLSA-N 1 3 323.525 2.878 20 0 DFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548394265 430468926 /nfs/dbraw/zinc/46/89/26/430468926.db2.gz OPMJDPSYLKIZGY-QGZVFWFLSA-N 1 3 323.525 2.878 20 0 DFADHO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1N ZINC000641804174 430478187 /nfs/dbraw/zinc/47/81/87/430478187.db2.gz JACOAGGWQHDMKK-QWHCGFSZSA-N 1 3 313.804 2.523 20 0 DFADHO COC[C@H](CN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)OC ZINC000638973162 430485055 /nfs/dbraw/zinc/48/50/55/430485055.db2.gz XZUMQGOZKFXJFT-WDSOQIARSA-N 1 3 318.461 2.606 20 0 DFADHO COC[C@H](CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)OC ZINC000638973162 430485059 /nfs/dbraw/zinc/48/50/59/430485059.db2.gz XZUMQGOZKFXJFT-WDSOQIARSA-N 1 3 318.461 2.606 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000638979564 430486688 /nfs/dbraw/zinc/48/66/88/430486688.db2.gz FKKJULJMJOTWDK-MRXNPFEDSA-N 1 3 309.498 2.617 20 0 DFADHO C[C@H](C(=O)N1CC[C@@H](C[NH3+])c2ccccc21)[C@H](N)c1ccccc1 ZINC000639069615 430510406 /nfs/dbraw/zinc/51/04/06/430510406.db2.gz YUCLZCSIYGSGGZ-QOKNQOGYSA-N 1 3 323.440 2.802 20 0 DFADHO C[C@H]1C[C@H](CCNCc2cnccn2)C[N@@H+]1Cc1ccccc1 ZINC000570176986 430522436 /nfs/dbraw/zinc/52/24/36/430522436.db2.gz KHAICYOELRTPLM-WMZOPIPTSA-N 1 3 310.445 2.867 20 0 DFADHO C[C@H]1C[C@H](CCNCc2cnccn2)C[N@H+]1Cc1ccccc1 ZINC000570176986 430522440 /nfs/dbraw/zinc/52/24/40/430522440.db2.gz KHAICYOELRTPLM-WMZOPIPTSA-N 1 3 310.445 2.867 20 0 DFADHO CN(C)Cc1ccccc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000549630179 430528734 /nfs/dbraw/zinc/52/87/34/430528734.db2.gz UNPFWBIRWVDDHO-UHFFFAOYSA-N 1 3 301.434 2.561 20 0 DFADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639170311 430553866 /nfs/dbraw/zinc/55/38/66/430553866.db2.gz STZZEQCPIWMPEC-MSOLQXFVSA-N 1 3 301.478 2.833 20 0 DFADHO C[C@H](N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000643451910 430601134 /nfs/dbraw/zinc/60/11/34/430601134.db2.gz WJRARYRVLBZWRV-YTQUADARSA-N 1 3 301.478 2.801 20 0 DFADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1cccc2c1CCNC2 ZINC000570675163 430565729 /nfs/dbraw/zinc/56/57/29/430565729.db2.gz RZDHYRVDQGRFDK-CVEARBPZSA-N 1 3 301.434 2.569 20 0 DFADHO c1ccc([C@@H](CN2CCCCC2)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000643451862 430601345 /nfs/dbraw/zinc/60/13/45/430601345.db2.gz MKNGJDCRZMBSKM-RTBURBONSA-N 1 3 301.478 2.945 20 0 DFADHO C[C@H]1CC[C@H](O)CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000643295765 430576814 /nfs/dbraw/zinc/57/68/14/430576814.db2.gz PYWVERKEPXKBSV-WMZOPIPTSA-N 1 3 318.461 2.506 20 0 DFADHO C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)C1 ZINC000552047818 430581142 /nfs/dbraw/zinc/58/11/42/430581142.db2.gz ZTFANYIMHBFQTJ-TVFCKZIOSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccncc1Cl ZINC000643346174 430589191 /nfs/dbraw/zinc/58/91/91/430589191.db2.gz GTIWAWFKASKGQK-KBPBESRZSA-N 1 3 322.884 2.554 20 0 DFADHO C[C@H](NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000643453197 430602271 /nfs/dbraw/zinc/60/22/71/430602271.db2.gz ONYFTIIQGFRYTN-KKUMJFAQSA-N 1 3 307.869 2.754 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@H]1NC1CC[NH+](CC(C)(C)O)CC1 ZINC000639289510 430600213 /nfs/dbraw/zinc/60/02/13/430600213.db2.gz BHSVYWPIDGMNCH-ZWKOTPCHSA-N 1 3 302.462 2.676 20 0 DFADHO CCN(CC(C)C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000552971397 430604634 /nfs/dbraw/zinc/60/46/34/430604634.db2.gz VYFKEPLMGPRVCI-UHFFFAOYSA-N 1 3 323.525 2.687 20 0 DFADHO CC[C@H](C)[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)OC ZINC000639310779 430605789 /nfs/dbraw/zinc/60/57/89/430605789.db2.gz HFLTYZLCXABYMS-QFBILLFUSA-N 1 3 319.493 2.944 20 0 DFADHO [NH3+]C1(CNC2CCC(O)(C(F)(F)F)CC2)CCCCCC1 ZINC000643498578 430609204 /nfs/dbraw/zinc/60/92/04/430609204.db2.gz FJYQHQBCMCLLOD-UHFFFAOYSA-N 1 3 308.388 2.864 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000643512227 430611289 /nfs/dbraw/zinc/61/12/89/430611289.db2.gz CSJWEXVGIZSOGP-ZTCUZBCZSA-N 1 3 313.445 2.536 20 0 DFADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000643512056 430611612 /nfs/dbraw/zinc/61/16/12/430611612.db2.gz FMWLZKWXZNDSJT-APHBMKBZSA-N 1 3 301.434 2.739 20 0 DFADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1cnn(Cc2ccccc2)c1 ZINC000643535032 430612613 /nfs/dbraw/zinc/61/26/13/430612613.db2.gz HWJDXJLYSLERLA-MAUKXSAKSA-N 1 3 310.445 2.724 20 0 DFADHO COc1cc(F)c([C@H](C)N[C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000643537057 430613834 /nfs/dbraw/zinc/61/38/34/430613834.db2.gz YNFRIUPPKAWAII-MEDUHNTESA-N 1 3 308.397 2.636 20 0 DFADHO COc1cc(F)c([C@@H](C)N[C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000643537055 430613847 /nfs/dbraw/zinc/61/38/47/430613847.db2.gz YNFRIUPPKAWAII-BDJLRTHQSA-N 1 3 308.397 2.636 20 0 DFADHO COc1ccc2c(c1)[C@H](N[C@H]1CC13CC[NH2+]CC3)CCS2 ZINC000643535209 430615083 /nfs/dbraw/zinc/61/50/83/430615083.db2.gz KMOMWXUMGXDCLW-ZBFHGGJFSA-N 1 3 304.459 2.964 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1ccccc1-n1ccnn1 ZINC000643547630 430616389 /nfs/dbraw/zinc/61/63/89/430616389.db2.gz IOHBHTRXLOKOBG-HUUCEWRRSA-N 1 3 311.433 2.593 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000639360400 430620133 /nfs/dbraw/zinc/62/01/33/430620133.db2.gz WYHXCCXIYMBZTN-NMLACTOBSA-N 1 3 314.473 2.912 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CO[C@H](C2CC2)C1 ZINC000639360400 430620134 /nfs/dbraw/zinc/62/01/34/430620134.db2.gz WYHXCCXIYMBZTN-NMLACTOBSA-N 1 3 314.473 2.912 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CO[C@H](C2CC2)C1 ZINC000639360400 430620135 /nfs/dbraw/zinc/62/01/35/430620135.db2.gz WYHXCCXIYMBZTN-NMLACTOBSA-N 1 3 314.473 2.912 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)CC2)ccn1 ZINC000639390064 430631739 /nfs/dbraw/zinc/63/17/39/430631739.db2.gz SUPIWGWKGGPFPK-OALUTQOASA-N 1 3 315.461 2.988 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000554539506 430641541 /nfs/dbraw/zinc/64/15/41/430641541.db2.gz GLCOPGBTXGSTMT-INIZCTEOSA-N 1 3 309.498 2.584 20 0 DFADHO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000554539506 430641545 /nfs/dbraw/zinc/64/15/45/430641545.db2.gz GLCOPGBTXGSTMT-INIZCTEOSA-N 1 3 309.498 2.584 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000643910778 430641953 /nfs/dbraw/zinc/64/19/53/430641953.db2.gz AHZMTGDJCSGZDK-WJFTUGDTSA-N 1 3 300.446 2.666 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](N[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000643910778 430641955 /nfs/dbraw/zinc/64/19/55/430641955.db2.gz AHZMTGDJCSGZDK-WJFTUGDTSA-N 1 3 300.446 2.666 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000643910778 430641957 /nfs/dbraw/zinc/64/19/57/430641957.db2.gz AHZMTGDJCSGZDK-WJFTUGDTSA-N 1 3 300.446 2.666 20 0 DFADHO CCn1c2ccccc2nc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000556782408 430692104 /nfs/dbraw/zinc/69/21/04/430692104.db2.gz XQNJOIUNDOAXML-HNNXBMFYSA-N 1 3 300.450 2.878 20 0 DFADHO CCn1c2ccccc2nc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000556782408 430692106 /nfs/dbraw/zinc/69/21/06/430692106.db2.gz XQNJOIUNDOAXML-HNNXBMFYSA-N 1 3 300.450 2.878 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N(C)C1CC1 ZINC000274928847 278284263 /nfs/dbraw/zinc/28/42/63/278284263.db2.gz QNICHMBJEQLARC-JENIJYKNSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000247169296 278287118 /nfs/dbraw/zinc/28/71/18/278287118.db2.gz YKXCVOJUKJMIDS-CBZIJGRNSA-N 1 3 301.478 2.756 20 0 DFADHO C[C@@H](CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000247169296 278287119 /nfs/dbraw/zinc/28/71/19/278287119.db2.gz YKXCVOJUKJMIDS-CBZIJGRNSA-N 1 3 301.478 2.756 20 0 DFADHO CC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)COC1 ZINC000657772360 430732855 /nfs/dbraw/zinc/73/28/55/430732855.db2.gz MENNGRQDNCNEQY-GOSISDBHSA-N 1 3 314.473 2.915 20 0 DFADHO Cn1cc(CNCC2CC[NH+](CC3CC3)CC2)c(C(C)(C)C)n1 ZINC000657813547 430742956 /nfs/dbraw/zinc/74/29/56/430742956.db2.gz RIBMYVFSZRHZRO-UHFFFAOYSA-N 1 3 318.509 2.929 20 0 DFADHO O=C(CC[NH2+]C[C@@H]1CCN(C2CC2)C1)Nc1cccc(Cl)c1 ZINC000644531747 430746028 /nfs/dbraw/zinc/74/60/28/430746028.db2.gz AXHHLEVRHQBGAO-ZDUSSCGKSA-N 1 3 321.852 2.743 20 0 DFADHO O=C(CCNC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1cccc(Cl)c1 ZINC000644531747 430746033 /nfs/dbraw/zinc/74/60/33/430746033.db2.gz AXHHLEVRHQBGAO-ZDUSSCGKSA-N 1 3 321.852 2.743 20 0 DFADHO O=C(CCNC[C@@H]1CC[N@H+](C2CC2)C1)Nc1cccc(Cl)c1 ZINC000644531747 430746037 /nfs/dbraw/zinc/74/60/37/430746037.db2.gz AXHHLEVRHQBGAO-ZDUSSCGKSA-N 1 3 321.852 2.743 20 0 DFADHO CCOC[C@H](O)CNCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000644531352 430746727 /nfs/dbraw/zinc/74/67/27/430746727.db2.gz NPXWWTZJCAKULS-LJQANCHMSA-N 1 3 320.477 2.550 20 0 DFADHO COC1([C@H](C)[NH2+]Cc2cccc(OCCN(C)C)c2)CCC1 ZINC000657843505 430750566 /nfs/dbraw/zinc/75/05/66/430750566.db2.gz ZMUGMTRZJHMBKU-HNNXBMFYSA-N 1 3 306.450 2.674 20 0 DFADHO COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000657844177 430753462 /nfs/dbraw/zinc/75/34/62/430753462.db2.gz OVUYPSZDVMHWHB-SJLPKXTDSA-N 1 3 312.498 2.530 20 0 DFADHO COC[C@@H](CC1CCOCC1)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000657844177 430753469 /nfs/dbraw/zinc/75/34/69/430753469.db2.gz OVUYPSZDVMHWHB-SJLPKXTDSA-N 1 3 312.498 2.530 20 0 DFADHO COC1([C@H](C)[NH2+]CCc2ccc(OCCN(C)C)cc2)CCC1 ZINC000657872299 430756233 /nfs/dbraw/zinc/75/62/33/430756233.db2.gz MSMOPPRZKBARLJ-INIZCTEOSA-N 1 3 320.477 2.717 20 0 DFADHO C[C@@H](NCCC(=O)Nc1ccccc1F)C(C)(C)C[NH+](C)C ZINC000644574178 430756553 /nfs/dbraw/zinc/75/65/53/430756553.db2.gz LLGPFZCNGVUNKP-CYBMUJFWSA-N 1 3 309.429 2.720 20 0 DFADHO CC1(C)C[N@H+](CCO)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836863 430759795 /nfs/dbraw/zinc/75/97/95/430759795.db2.gz RIYUPHKIRLJLTK-GOSISDBHSA-N 1 3 302.462 2.601 20 0 DFADHO CC1(C)C[N@@H+](CCO)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836863 430759796 /nfs/dbraw/zinc/75/97/96/430759796.db2.gz RIYUPHKIRLJLTK-GOSISDBHSA-N 1 3 302.462 2.601 20 0 DFADHO C[NH+](C)CC1(CNCCC(=O)Nc2ccccc2F)CCCC1 ZINC000644622986 430773081 /nfs/dbraw/zinc/77/30/81/430773081.db2.gz UJQZJBUVWFLCJL-UHFFFAOYSA-N 1 3 321.440 2.866 20 0 DFADHO C[N@H+](C[C@@H](O)CN[C@H]1C[C@H](c2ccccc2Cl)C1)C1CC1 ZINC000644654954 430780182 /nfs/dbraw/zinc/78/01/82/430780182.db2.gz BZCDFQSSXXQCBQ-YDHLFZDLSA-N 1 3 308.853 2.631 20 0 DFADHO C[N@@H+](C[C@@H](O)CN[C@H]1C[C@H](c2ccccc2Cl)C1)C1CC1 ZINC000644654954 430780184 /nfs/dbraw/zinc/78/01/84/430780184.db2.gz BZCDFQSSXXQCBQ-YDHLFZDLSA-N 1 3 308.853 2.631 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H]3CCF)cc2)C1 ZINC000658134928 430820980 /nfs/dbraw/zinc/82/09/80/430820980.db2.gz CFNAYMITCUVYDN-OTWHNJEPSA-N 1 3 320.452 2.871 20 0 DFADHO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658136218 430821303 /nfs/dbraw/zinc/82/13/03/430821303.db2.gz CIZLFJYQXHJIGD-CEXWTWQISA-N 1 3 302.462 2.922 20 0 DFADHO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658136223 430821553 /nfs/dbraw/zinc/82/15/53/430821553.db2.gz CIZLFJYQXHJIGD-QRVBRYPASA-N 1 3 302.462 2.922 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658142861 430823672 /nfs/dbraw/zinc/82/36/72/430823672.db2.gz FCAHAWYLZRYZJP-MNEFBYGVSA-N 1 3 302.462 2.922 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H]2CCN(C3CCCCC3)C2)[C@H]2CCC[C@H]21 ZINC000658230494 430845683 /nfs/dbraw/zinc/84/56/83/430845683.db2.gz ZEJLJSIFPJYKBF-OQIJWPOYSA-N 1 3 305.510 2.856 20 0 DFADHO CCc1ccccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665196514 430853837 /nfs/dbraw/zinc/85/38/37/430853837.db2.gz SQYROTFZULXLII-HNNXBMFYSA-N 1 3 320.481 2.643 20 0 DFADHO CCc1ccccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665196514 430853840 /nfs/dbraw/zinc/85/38/40/430853840.db2.gz SQYROTFZULXLII-HNNXBMFYSA-N 1 3 320.481 2.643 20 0 DFADHO CCc1cccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000651719013 430859004 /nfs/dbraw/zinc/85/90/04/430859004.db2.gz GFZQLOTVKNRITM-GOSISDBHSA-N 1 3 302.462 2.840 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1noc2ccccc12 ZINC000665232238 430861508 /nfs/dbraw/zinc/86/15/08/430861508.db2.gz JCLCTAGZOXDLRZ-LBPRGKRZSA-N 1 3 310.401 2.883 20 0 DFADHO Nc1cccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665232196 430862119 /nfs/dbraw/zinc/86/21/19/430862119.db2.gz HUQXLUZGQUDGBF-IEBWSBKVSA-N 1 3 309.413 2.614 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCN(c2ccccc2Cl)C1 ZINC000665235509 430863348 /nfs/dbraw/zinc/86/33/48/430863348.db2.gz WSDPRHOQUIQICN-FMKPAKJESA-N 1 3 307.869 2.754 20 0 DFADHO CNC(=O)CC1(C[NH2+]C2CCN(C(C)(C)C)CC2)CCCCC1 ZINC000658306029 430872523 /nfs/dbraw/zinc/87/25/23/430872523.db2.gz MPOLTFQHXIRPBD-UHFFFAOYSA-N 1 3 323.525 2.926 20 0 DFADHO COc1ccc([C@H]2CC[NH2+]C[C@H]2N[C@H]2CCC[C@H](OC)C2)cc1 ZINC000665256015 430872920 /nfs/dbraw/zinc/87/29/20/430872920.db2.gz LPLLVRFMJMKYJH-GDAAHCPNSA-N 1 3 318.461 2.688 20 0 DFADHO CO[C@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1(C)C ZINC000648742491 430878272 /nfs/dbraw/zinc/87/82/72/430878272.db2.gz NHMXSZJJIZMGLL-SFHVURJKSA-N 1 3 320.477 2.874 20 0 DFADHO CC[C@H](NCC1(CC(=O)NC)CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000665274984 430879170 /nfs/dbraw/zinc/87/91/70/430879170.db2.gz ADTCTFJKOLLRQA-JKSUJKDBSA-N 1 3 309.498 2.583 20 0 DFADHO CC(C)[C@H](N)CC[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000665280517 430880964 /nfs/dbraw/zinc/88/09/64/430880964.db2.gz FARLKLGGXNUQIX-MRXNPFEDSA-N 1 3 311.420 2.897 20 0 DFADHO CC(C)[C@H]([NH3+])CCNC1CCN(c2ccc(F)cc2F)CC1 ZINC000665280517 430880970 /nfs/dbraw/zinc/88/09/70/430880970.db2.gz FARLKLGGXNUQIX-MRXNPFEDSA-N 1 3 311.420 2.897 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CC23CC(C2)CN3)cc1OC ZINC000665280030 430881337 /nfs/dbraw/zinc/88/13/37/430881337.db2.gz RJZRFGKHBNFDRD-ZHRYSXCZSA-N 1 3 304.434 2.537 20 0 DFADHO COc1ccc(C[C@H](C)NCC[C@@H]([NH3+])C(C)C)c(C)c1OC ZINC000665281511 430881617 /nfs/dbraw/zinc/88/16/17/430881617.db2.gz FLYCEBUPSICPNJ-XJKSGUPXSA-N 1 3 308.466 2.906 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]CC[C@@H](N)C(C)C)c(C)c1OC ZINC000665281511 430881621 /nfs/dbraw/zinc/88/16/21/430881621.db2.gz FLYCEBUPSICPNJ-XJKSGUPXSA-N 1 3 308.466 2.906 20 0 DFADHO O[C@@H](CN1CC[C@H](C2CCC2)C1)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665288047 430886268 /nfs/dbraw/zinc/88/62/68/430886268.db2.gz BGMNQRDPDOMEGI-REPLKXPHSA-N 1 3 306.494 2.591 20 0 DFADHO O[C@@H](CN1CC[C@H](C2CCC2)C1)C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000665288047 430886271 /nfs/dbraw/zinc/88/62/71/430886271.db2.gz BGMNQRDPDOMEGI-REPLKXPHSA-N 1 3 306.494 2.591 20 0 DFADHO O[C@H](CN1CC[C@@H](C2CCC2)C1)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665288047 430886275 /nfs/dbraw/zinc/88/62/75/430886275.db2.gz BGMNQRDPDOMEGI-REPLKXPHSA-N 1 3 306.494 2.591 20 0 DFADHO O[C@H](CN1CC[C@@H](C2CCC2)C1)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000665288047 430886280 /nfs/dbraw/zinc/88/62/80/430886280.db2.gz BGMNQRDPDOMEGI-REPLKXPHSA-N 1 3 306.494 2.591 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1 ZINC000665289759 430887232 /nfs/dbraw/zinc/88/72/32/430887232.db2.gz WPDGSBXYGDIOEE-BRSBDYLESA-N 1 3 315.461 2.587 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1 ZINC000665289759 430887237 /nfs/dbraw/zinc/88/72/37/430887237.db2.gz WPDGSBXYGDIOEE-BRSBDYLESA-N 1 3 315.461 2.587 20 0 DFADHO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000261698629 278669985 /nfs/dbraw/zinc/66/99/85/278669985.db2.gz JQQWJRDDINMQHZ-RCCFBDPRSA-N 1 3 321.509 2.534 20 0 DFADHO CC(C)C1CCC(N2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000261687669 278709510 /nfs/dbraw/zinc/70/95/10/278709510.db2.gz ASMQLNJZXQEPNH-ACBHZAAOSA-N 1 3 307.526 2.818 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H](C3CC3)C3CCOCC3)CC2)ccn1 ZINC000651930193 430915657 /nfs/dbraw/zinc/91/56/57/430915657.db2.gz KZVWTESGKZBIOU-IBGZPJMESA-N 1 3 315.461 2.845 20 0 DFADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cc[nH]c(=O)c1 ZINC000645191383 430929545 /nfs/dbraw/zinc/92/95/45/430929545.db2.gz XQVPBJZWAXSDBG-CQSZACIVSA-N 1 3 315.417 2.578 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](C3CCC3)C2)CC1 ZINC000662041520 430933655 /nfs/dbraw/zinc/93/36/55/430933655.db2.gz BRMBIWARYDGDDG-LJQANCHMSA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](C3CCC3)C2)CC1 ZINC000662041520 430933660 /nfs/dbraw/zinc/93/36/60/430933660.db2.gz BRMBIWARYDGDDG-LJQANCHMSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCSC3)CC2)C[C@@H](C)O1 ZINC000365869928 278744584 /nfs/dbraw/zinc/74/45/84/278744584.db2.gz DDJIADLQMYUFAX-BFYDXBDKSA-N 1 3 312.523 2.561 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2c[nH]nc2C(C)(C)C)C[C@@H](C)O1 ZINC000067452527 278746880 /nfs/dbraw/zinc/74/68/80/278746880.db2.gz RTDHNSZXFWKYHV-HUUCEWRRSA-N 1 3 322.497 2.686 20 0 DFADHO FC1(F)Oc2ccc(CCN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2O1 ZINC000652038173 430942381 /nfs/dbraw/zinc/94/23/81/430942381.db2.gz LRMJWILURXFXIJ-KGLIPLIRSA-N 1 3 324.371 2.767 20 0 DFADHO FC1(F)Oc2ccc(CCN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2O1 ZINC000652038173 430942386 /nfs/dbraw/zinc/94/23/86/430942386.db2.gz LRMJWILURXFXIJ-KGLIPLIRSA-N 1 3 324.371 2.767 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@@]2(O)CCCOC2)CC1 ZINC000652046213 430943926 /nfs/dbraw/zinc/94/39/26/430943926.db2.gz OWYYFDRFNXPCTK-QRQLOZEOSA-N 1 3 324.509 2.551 20 0 DFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@@]2(O)CCCOC2)CC1 ZINC000652046213 430943932 /nfs/dbraw/zinc/94/39/32/430943932.db2.gz OWYYFDRFNXPCTK-QRQLOZEOSA-N 1 3 324.509 2.551 20 0 DFADHO CC(C)CC1([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000662072367 430947990 /nfs/dbraw/zinc/94/79/90/430947990.db2.gz RCVXWDBXRLFLID-KRWDZBQOSA-N 1 3 317.477 2.574 20 0 DFADHO C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662148479 430980483 /nfs/dbraw/zinc/98/04/83/430980483.db2.gz KTBOQLLUQYSTQY-MGPUTAFESA-N 1 3 314.473 2.767 20 0 DFADHO CC[C@@H]1CCC[C@H](C)N1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662157651 430982670 /nfs/dbraw/zinc/98/26/70/430982670.db2.gz MKEPIKFLCXLGBH-DOTOQJQBSA-N 1 3 309.498 2.628 20 0 DFADHO NC1(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC2(CCC2)C1 ZINC000659251452 430998598 /nfs/dbraw/zinc/99/85/98/430998598.db2.gz GFLKQVVNXCAFCR-UHFFFAOYSA-N 1 3 319.493 2.561 20 0 DFADHO CCC[NH+]1CCC(CNC(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000354763385 278802597 /nfs/dbraw/zinc/80/25/97/278802597.db2.gz QACHARQOSCUYFV-SFHVURJKSA-N 1 3 323.525 2.735 20 0 DFADHO CCCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCN(C)C1 ZINC000648996659 430963294 /nfs/dbraw/zinc/96/32/94/430963294.db2.gz XLRDWZBSOCKJRE-ZWKOTPCHSA-N 1 3 317.477 2.622 20 0 DFADHO CC[C@H](NC1CC[NH+](C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652135320 430969895 /nfs/dbraw/zinc/96/98/95/430969895.db2.gz NITAOWNURKGARG-HNNXBMFYSA-N 1 3 322.449 2.847 20 0 DFADHO COc1ccccc1[C@@H]1CCCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258506 431019788 /nfs/dbraw/zinc/01/97/88/431019788.db2.gz VOALQPCFQNFXJG-RDJZCZTQSA-N 1 3 316.445 2.743 20 0 DFADHO COc1cccc(SCCN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000662265191 431021751 /nfs/dbraw/zinc/02/17/51/431021751.db2.gz GIEXBMFOXASPQL-JQFCIGGWSA-N 1 3 306.475 2.847 20 0 DFADHO Cc1cnn([C@@H]2CCCN(Cc3cccc4c3CC[NH2+]C4)C2)c1 ZINC000662262421 431021841 /nfs/dbraw/zinc/02/18/41/431021841.db2.gz FKKBORCUULJXDD-GOSISDBHSA-N 1 3 310.445 2.674 20 0 DFADHO CCc1nc(C)c([C@@H](C)N(C)C[C@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662262042 431022366 /nfs/dbraw/zinc/02/23/66/431022366.db2.gz DATFCFLYKRJOHE-CHWSQXEVSA-N 1 3 309.479 2.528 20 0 DFADHO CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3NCC3(C)C)cc2)CC1 ZINC000645543954 431029026 /nfs/dbraw/zinc/02/90/26/431029026.db2.gz OKCHOIXTJKXPAP-KRWDZBQOSA-N 1 3 315.461 2.855 20 0 DFADHO COc1ccc(-c2cc(CN3CCC[C@H](CC[NH3+])C3)on2)cc1 ZINC000662273699 431029483 /nfs/dbraw/zinc/02/94/83/431029483.db2.gz YPMOJHASAINMIM-CQSZACIVSA-N 1 3 315.417 2.911 20 0 DFADHO CC1(C)CNCC[C@@H]1[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662276867 431029678 /nfs/dbraw/zinc/02/96/78/431029678.db2.gz MENVPCXPVLDABY-AWEZNQCLSA-N 1 3 312.360 2.528 20 0 DFADHO CC1(C)C[NH2+]CC[C@@H]1NCCc1ccc2c(c1)OC(F)(F)O2 ZINC000662276867 431029681 /nfs/dbraw/zinc/02/96/81/431029681.db2.gz MENVPCXPVLDABY-AWEZNQCLSA-N 1 3 312.360 2.528 20 0 DFADHO C[C@@H]1CCCN(CCOCCOc2ccccc2)[C@@H]1CC[NH3+] ZINC000652354439 431030749 /nfs/dbraw/zinc/03/07/49/431030749.db2.gz YRDDRJKXJVQBLN-SJLPKXTDSA-N 1 3 306.450 2.531 20 0 DFADHO c1ccc(C[C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662283498 431033277 /nfs/dbraw/zinc/03/32/77/431033277.db2.gz UEESQYOLKSTSSU-OTWHNJEPSA-N 1 3 314.473 2.899 20 0 DFADHO CC(C)N(C(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1)C(C)C ZINC000662291099 431036564 /nfs/dbraw/zinc/03/65/64/431036564.db2.gz PFCMPMQCQUTCCK-FUHWJXTLSA-N 1 3 323.525 2.732 20 0 DFADHO Cc1ccc(NC(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662296379 431037877 /nfs/dbraw/zinc/03/78/77/431037877.db2.gz ZTDQQYUAFRVTEA-QGZVFWFLSA-N 1 3 315.461 2.645 20 0 DFADHO CC1CCC(N(C)C(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC000662312794 431041529 /nfs/dbraw/zinc/04/15/29/431041529.db2.gz FEMGOJGFXJFKRV-GPQLOAJWSA-N 1 3 323.525 2.863 20 0 DFADHO Cc1ccc(NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1F ZINC000662313679 431043409 /nfs/dbraw/zinc/04/34/09/431043409.db2.gz VSIRWHBRMJVKNR-RHSMWYFYSA-N 1 3 321.440 2.912 20 0 DFADHO CN(C)C[C@H](NC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000662356148 431057833 /nfs/dbraw/zinc/05/78/33/431057833.db2.gz NCHXPQHCRGYXOS-MOPGFXCFSA-N 1 3 323.440 2.640 20 0 DFADHO C[N@H+](CCCNC(=O)c1cccc2c1CNC2)Cc1ccccc1 ZINC000662355090 431057857 /nfs/dbraw/zinc/05/78/57/431057857.db2.gz DNVGHNIBVQEVAJ-UHFFFAOYSA-N 1 3 323.440 2.542 20 0 DFADHO C[N@@H+](CCCNC(=O)c1cccc2c1CNC2)Cc1ccccc1 ZINC000662355090 431057862 /nfs/dbraw/zinc/05/78/62/431057862.db2.gz DNVGHNIBVQEVAJ-UHFFFAOYSA-N 1 3 323.440 2.542 20 0 DFADHO CC(C)([NH3+])CCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000649308949 431063300 /nfs/dbraw/zinc/06/33/00/431063300.db2.gz JJIBJVNGBVRRPK-CQSZACIVSA-N 1 3 323.506 2.594 20 0 DFADHO CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662248495 431012841 /nfs/dbraw/zinc/01/28/41/431012841.db2.gz DGUGUUDIMMSWBB-MSOLQXFVSA-N 1 3 316.445 2.743 20 0 DFADHO CCOc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662248495 431012846 /nfs/dbraw/zinc/01/28/46/431012846.db2.gz DGUGUUDIMMSWBB-MSOLQXFVSA-N 1 3 316.445 2.743 20 0 DFADHO C[C@H]([NH3+])c1ccc(CNC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000659292133 431014669 /nfs/dbraw/zinc/01/46/69/431014669.db2.gz OMRMRCGUPXPOTE-SCLBCKFNSA-N 1 3 309.413 2.557 20 0 DFADHO CN(Cc1cccc(C(F)(F)F)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253913 431014973 /nfs/dbraw/zinc/01/49/73/431014973.db2.gz YODODARVNCUMHC-CQSZACIVSA-N 1 3 314.351 2.658 20 0 DFADHO Cc1ccc(C(C)(C)C[N@H+](C)C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662255956 431016181 /nfs/dbraw/zinc/01/61/81/431016181.db2.gz GSDPYRWPYOAOLM-QGZVFWFLSA-N 1 3 302.462 2.725 20 0 DFADHO Cc1ccc(C(C)(C)C[N@@H+](C)C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662255956 431016186 /nfs/dbraw/zinc/01/61/86/431016186.db2.gz GSDPYRWPYOAOLM-QGZVFWFLSA-N 1 3 302.462 2.725 20 0 DFADHO C[C@@H](O)CN(Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662251164 431016764 /nfs/dbraw/zinc/01/67/64/431016764.db2.gz AGJWYIWVOCKEES-MRXNPFEDSA-N 1 3 310.441 2.715 20 0 DFADHO C(OC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1)C1CCCCC1 ZINC000662254394 431017087 /nfs/dbraw/zinc/01/70/87/431017087.db2.gz PXPLGYSIPMHZCW-GOSISDBHSA-N 1 3 322.493 2.569 20 0 DFADHO Cc1ccc(C(C)(C)C[N@H+](C)C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662255954 431017231 /nfs/dbraw/zinc/01/72/31/431017231.db2.gz GSDPYRWPYOAOLM-KRWDZBQOSA-N 1 3 302.462 2.725 20 0 DFADHO Cc1ccc(C(C)(C)C[N@@H+](C)C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662255954 431017234 /nfs/dbraw/zinc/01/72/34/431017234.db2.gz GSDPYRWPYOAOLM-KRWDZBQOSA-N 1 3 302.462 2.725 20 0 DFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3NCC3(C)C)cc2)C1 ZINC000645502747 431018675 /nfs/dbraw/zinc/01/86/75/431018675.db2.gz MJOJCHHPMYZOOJ-WMLDXEAASA-N 1 3 315.461 2.855 20 0 DFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3NCC3(C)C)cc2)C1 ZINC000645502747 431018680 /nfs/dbraw/zinc/01/86/80/431018680.db2.gz MJOJCHHPMYZOOJ-WMLDXEAASA-N 1 3 315.461 2.855 20 0 DFADHO CCCCN(Cc1ccccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257400 431019470 /nfs/dbraw/zinc/01/94/70/431019470.db2.gz NTEZPIBYQGCSJC-INIZCTEOSA-N 1 3 306.425 2.949 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)CC1([NH3+])CCC1)c1ccccc1 ZINC000645927534 431117693 /nfs/dbraw/zinc/11/76/93/431117693.db2.gz QOQXOLUIMUJMBU-CQSZACIVSA-N 1 3 303.450 2.504 20 0 DFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c2CNC3)C1 ZINC000662401813 431074671 /nfs/dbraw/zinc/07/46/71/431074671.db2.gz BMDUGPFNEBRMQU-CQSZACIVSA-N 1 3 315.461 2.530 20 0 DFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc3c2CNC3)C1 ZINC000662401813 431074675 /nfs/dbraw/zinc/07/46/75/431074675.db2.gz BMDUGPFNEBRMQU-CQSZACIVSA-N 1 3 315.461 2.530 20 0 DFADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H](C)NC)ccc21 ZINC000662429791 431079421 /nfs/dbraw/zinc/07/94/21/431079421.db2.gz KLPWKYWERYTTPX-AWEZNQCLSA-N 1 3 316.449 2.530 20 0 DFADHO COc1c(C)cnc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000649417996 431095858 /nfs/dbraw/zinc/09/58/58/431095858.db2.gz TXRCBPOYIXRXEL-SJORKVTESA-N 1 3 317.477 2.919 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cncnc2C)[C@@H](C)C1 ZINC000655716501 431096493 /nfs/dbraw/zinc/09/64/93/431096493.db2.gz UNFKRDLIYDENJW-ZVZYQTTQSA-N 1 3 320.481 2.573 20 0 DFADHO CC[C@H]([NH2+]C)C(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000662502197 431098508 /nfs/dbraw/zinc/09/85/08/431098508.db2.gz JQHISQILVNJGRO-NXHRZFHOSA-N 1 3 317.477 2.668 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@H](C)SC2)C[C@H](C)O1 ZINC000655729142 431103608 /nfs/dbraw/zinc/10/36/08/431103608.db2.gz GQQVRQYPRCYLFF-XUWVNRHRSA-N 1 3 300.512 2.750 20 0 DFADHO COc1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000655732463 431106159 /nfs/dbraw/zinc/10/61/59/431106159.db2.gz CGILUPYBBVSTQG-LJQANCHMSA-N 1 3 318.461 2.737 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662596937 431128852 /nfs/dbraw/zinc/12/88/52/431128852.db2.gz UEOKULBLAHQPEB-ROUUACIJSA-N 1 3 321.509 2.522 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+](C[C@@H]2CCCN2C)C1 ZINC000649622795 431201062 /nfs/dbraw/zinc/20/10/62/431201062.db2.gz UWYKVESXIKDOEZ-MJGOQNOKSA-N 1 3 301.478 2.535 20 0 DFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](N)CC1CCCCC1 ZINC000662695236 431164222 /nfs/dbraw/zinc/16/42/22/431164222.db2.gz XYWMEQRMTYNMIL-DOTOQJQBSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H](CN1CCC(C)CC1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000662693669 431164449 /nfs/dbraw/zinc/16/44/49/431164449.db2.gz KRVLLDUNVUICJN-MRXNPFEDSA-N 1 3 309.498 2.522 20 0 DFADHO Cc1cncc(CCN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000649583684 431174175 /nfs/dbraw/zinc/17/41/75/431174175.db2.gz WAZDFJOYVOEUMC-JKSUJKDBSA-N 1 3 302.466 2.570 20 0 DFADHO Cc1cncc(CCN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000649583684 431174182 /nfs/dbraw/zinc/17/41/82/431174182.db2.gz WAZDFJOYVOEUMC-JKSUJKDBSA-N 1 3 302.466 2.570 20 0 DFADHO Cc1cncc(CC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)n1 ZINC000649583684 431174191 /nfs/dbraw/zinc/17/41/91/431174191.db2.gz WAZDFJOYVOEUMC-JKSUJKDBSA-N 1 3 302.466 2.570 20 0 DFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662745333 431184512 /nfs/dbraw/zinc/18/45/12/431184512.db2.gz LYWSZXABKNICOU-WMZOPIPTSA-N 1 3 315.461 2.554 20 0 DFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662745333 431184519 /nfs/dbraw/zinc/18/45/19/431184519.db2.gz LYWSZXABKNICOU-WMZOPIPTSA-N 1 3 315.461 2.554 20 0 DFADHO C[NH+]1CCC2(CC1)CN(CC/C=C\c1ccccc1)CCO2 ZINC000646106677 431187228 /nfs/dbraw/zinc/18/72/28/431187228.db2.gz LETRNAVLNRHAKX-UITAMQMPSA-N 1 3 300.446 2.887 20 0 DFADHO Cc1ccccc1C[C@@H]1CCCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC000659931527 431195225 /nfs/dbraw/zinc/19/52/25/431195225.db2.gz OWKMXPJUDXRTTO-RBUKOAKNSA-N 1 3 304.478 2.703 20 0 DFADHO Cc1ccccc1C[C@@H]1CCCN1C[C@H](O)C[N@H+](C)C(C)C ZINC000659931527 431195232 /nfs/dbraw/zinc/19/52/32/431195232.db2.gz OWKMXPJUDXRTTO-RBUKOAKNSA-N 1 3 304.478 2.703 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000646014359 431147921 /nfs/dbraw/zinc/14/79/21/431147921.db2.gz CKFUGWYLNHLWQZ-CRAIPNDOSA-N 1 3 317.477 2.702 20 0 DFADHO C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1C[C@H]1CCCN1C ZINC000649547682 431155417 /nfs/dbraw/zinc/15/54/17/431155417.db2.gz ZOVBPKSONBAINS-PKOBYXMFSA-N 1 3 301.478 2.677 20 0 DFADHO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1C[C@H]1CCCN1C ZINC000649547682 431155420 /nfs/dbraw/zinc/15/54/20/431155420.db2.gz ZOVBPKSONBAINS-PKOBYXMFSA-N 1 3 301.478 2.677 20 0 DFADHO C[C@@H]1C[C@H](N(C)C(=O)CCCC[NH3+])CCN1Cc1ccccc1 ZINC000646046041 431158236 /nfs/dbraw/zinc/15/82/36/431158236.db2.gz AKZZPWPNDGQBTM-SJLPKXTDSA-N 1 3 317.477 2.627 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[N@H+](C[C@@H]2CCCN2C)C1 ZINC000649622795 431201056 /nfs/dbraw/zinc/20/10/56/431201056.db2.gz UWYKVESXIKDOEZ-MJGOQNOKSA-N 1 3 301.478 2.535 20 0 DFADHO C[NH+](C)Cc1cccc(NC(=O)c2cc3c(s2)CCNC3)c1 ZINC000662682495 431159932 /nfs/dbraw/zinc/15/99/32/431159932.db2.gz IGZFSMRCWZDJSM-UHFFFAOYSA-N 1 3 315.442 2.708 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(C)CC23CCCCC3)C1 ZINC000659987600 431222662 /nfs/dbraw/zinc/22/26/62/431222662.db2.gz AYEALEWBELRNNI-QZTJIDSGSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000278438150 279515364 /nfs/dbraw/zinc/51/53/64/279515364.db2.gz HJFHBUHGWARHAN-RLFYNMQTSA-N 1 3 306.450 2.703 20 0 DFADHO CC[C@H](CC(F)F)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000660118795 431277973 /nfs/dbraw/zinc/27/79/73/431277973.db2.gz WYVUVLXXNLUJDP-CBBWQLFWSA-N 1 3 304.425 2.851 20 0 DFADHO CC(=O)c1nc(CCN2CCC(CCC[NH+](C)C)CC2)[nH]c1C ZINC000660156445 431293963 /nfs/dbraw/zinc/29/39/63/431293963.db2.gz GDMONHPJEIBHFG-UHFFFAOYSA-N 1 3 320.481 2.517 20 0 DFADHO CC(=O)c1[nH]c(CCN2CCC(CCC[NH+](C)C)CC2)nc1C ZINC000660156445 431293969 /nfs/dbraw/zinc/29/39/69/431293969.db2.gz GDMONHPJEIBHFG-UHFFFAOYSA-N 1 3 320.481 2.517 20 0 DFADHO CC(C)C[N@H+](C)CCCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000653176119 431294270 /nfs/dbraw/zinc/29/42/70/431294270.db2.gz KNROBPHAQPEGEG-QGZVFWFLSA-N 1 3 319.493 2.807 20 0 DFADHO CC(C)C[N@@H+](C)CCCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000653176119 431294279 /nfs/dbraw/zinc/29/42/79/431294279.db2.gz KNROBPHAQPEGEG-QGZVFWFLSA-N 1 3 319.493 2.807 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000656197276 431306590 /nfs/dbraw/zinc/30/65/90/431306590.db2.gz WWEWGYZJSCZEKQ-FHWLQOOXSA-N 1 3 303.494 2.799 20 0 DFADHO CC[N@H+](CCCNC(=O)[C@H]1C[C@H](C)CCN1)C1CCCCC1 ZINC000653200971 431307456 /nfs/dbraw/zinc/30/74/56/431307456.db2.gz VVSRCQKZZUEXHA-NVXWUHKLSA-N 1 3 309.498 2.535 20 0 DFADHO CC[N@@H+](CCCNC(=O)[C@H]1C[C@H](C)CCN1)C1CCCCC1 ZINC000653200971 431307462 /nfs/dbraw/zinc/30/74/62/431307462.db2.gz VVSRCQKZZUEXHA-NVXWUHKLSA-N 1 3 309.498 2.535 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2CCC[NH2+]CC2)c1 ZINC000653110774 431269747 /nfs/dbraw/zinc/26/97/47/431269747.db2.gz UGOZPXULIZHOLR-INIZCTEOSA-N 1 3 303.450 2.857 20 0 DFADHO CN1CCN(CCC[NH+]2CCCCC2)[C@H](Cc2ccccc2)C1 ZINC000649828063 431320927 /nfs/dbraw/zinc/32/09/27/431320927.db2.gz BPSASGAWNGWWQJ-HXUWFJFHSA-N 1 3 315.505 2.721 20 0 DFADHO C[C@H]1CCC[C@@H](C[NH+]2CCC(CN3CCN(C)CC3)CC2)C1 ZINC000367671531 279678917 /nfs/dbraw/zinc/67/89/17/279678917.db2.gz PPYQJHUJKFFSLU-PKOBYXMFSA-N 1 3 307.526 2.772 20 0 DFADHO C[C@H](O)CN(CC(C)(C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000656277621 431354882 /nfs/dbraw/zinc/35/48/82/431354882.db2.gz CVJMFRHFKBWYRV-INIZCTEOSA-N 1 3 304.478 2.990 20 0 DFADHO C[C@H](O)CN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000656277621 431354887 /nfs/dbraw/zinc/35/48/87/431354887.db2.gz CVJMFRHFKBWYRV-INIZCTEOSA-N 1 3 304.478 2.990 20 0 DFADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@]1(C)Cc1ccccc1 ZINC000660291152 431362473 /nfs/dbraw/zinc/36/24/73/431362473.db2.gz VLWGRKDKHFPANM-RTBURBONSA-N 1 3 304.478 2.785 20 0 DFADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@]1(C)Cc1ccccc1 ZINC000660291152 431362480 /nfs/dbraw/zinc/36/24/80/431362480.db2.gz VLWGRKDKHFPANM-RTBURBONSA-N 1 3 304.478 2.785 20 0 DFADHO CCN1CCN(CCC[NH2+]Cc2cccc(C(C)C)c2)CC1 ZINC000663315444 431363253 /nfs/dbraw/zinc/36/32/53/431363253.db2.gz WBNWAISOOXRFPT-UHFFFAOYSA-N 1 3 303.494 2.927 20 0 DFADHO Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666950755 431419126 /nfs/dbraw/zinc/41/91/26/431419126.db2.gz FBOHNOPHVISBAP-GOSISDBHSA-N 1 3 310.445 2.721 20 0 DFADHO COc1cc(CN[C@@H]2CC23CC[NH2+]CC3)cc(Cl)c1OC ZINC000666950903 431420991 /nfs/dbraw/zinc/42/09/91/431420991.db2.gz PSOFVRZFVRAYFQ-CQSZACIVSA-N 1 3 310.825 2.589 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC23CCOCC3)C[C@@H](C)O1 ZINC000367066098 288159975 /nfs/dbraw/zinc/15/99/75/288159975.db2.gz LODQSPCBRBWGOC-KZNAEPCWSA-N 1 3 324.509 2.815 20 0 DFADHO CN(C(=O)CC[NH2+]C1CC(N2CCCCC2)C1)c1ccccc1 ZINC000663361373 431385384 /nfs/dbraw/zinc/38/53/84/431385384.db2.gz HGQIGDJIIWNFKP-UHFFFAOYSA-N 1 3 315.461 2.646 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)N1CCCCC1 ZINC000369015092 279759751 /nfs/dbraw/zinc/75/97/51/279759751.db2.gz HRZLCEQFZYGYEL-SFHVURJKSA-N 1 3 321.509 2.584 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@H](C)C1 ZINC000663474687 431438751 /nfs/dbraw/zinc/43/87/51/431438751.db2.gz PGYNGEGSSVQHRY-RISCZKNCSA-N 1 3 301.356 2.920 20 0 DFADHO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC12CC(C1)CN2 ZINC000663498641 431445045 /nfs/dbraw/zinc/44/50/45/431445045.db2.gz RVDJUYVVXPBZCA-MKQDKFQKSA-N 1 3 310.388 2.951 20 0 DFADHO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC12CC(C1)CN2 ZINC000663498642 431446353 /nfs/dbraw/zinc/44/63/53/431446353.db2.gz RVDJUYVVXPBZCA-RFSCMCKOSA-N 1 3 310.388 2.951 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1cccc(CO)c1 ZINC000663471820 431435610 /nfs/dbraw/zinc/43/56/10/431435610.db2.gz YMWJHGYVRQEWOX-YJBOKZPZSA-N 1 3 302.462 2.952 20 0 DFADHO COc1cnccc1N1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000660452923 431436016 /nfs/dbraw/zinc/43/60/16/431436016.db2.gz DMBLOBJLQFXLOP-OWCLPIDISA-N 1 3 301.434 2.648 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995290 431436948 /nfs/dbraw/zinc/43/69/48/431436948.db2.gz JSNNAZPBOIPUSG-CJNGLKHVSA-N 1 3 319.424 2.807 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995290 431436953 /nfs/dbraw/zinc/43/69/53/431436953.db2.gz JSNNAZPBOIPUSG-CJNGLKHVSA-N 1 3 319.424 2.807 20 0 DFADHO COc1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)cc1O ZINC000656784761 431521748 /nfs/dbraw/zinc/52/17/48/431521748.db2.gz HAUCWYLZGMQZIN-INIZCTEOSA-N 1 3 304.434 2.612 20 0 DFADHO C[C@@H]1C[NH2+]C[C@H](NC[C@@H]2CCN(c3ccccc3Cl)C2)C1 ZINC000656787686 431521886 /nfs/dbraw/zinc/52/18/86/431521886.db2.gz RIANWOFARRJVRO-SOUVJXGZSA-N 1 3 307.869 2.754 20 0 DFADHO CCOc1cccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000656785688 431522480 /nfs/dbraw/zinc/52/24/80/431522480.db2.gz IFVNEUMNCMVFPT-MRXNPFEDSA-N 1 3 303.450 2.692 20 0 DFADHO CCn1nc(C)c(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1C ZINC000656786779 431522592 /nfs/dbraw/zinc/52/25/92/431522592.db2.gz XNWTYHZGEJVBQP-KRWDZBQOSA-N 1 3 304.482 2.731 20 0 DFADHO Clc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCCNCC2)C1 ZINC000656787356 431522723 /nfs/dbraw/zinc/52/27/23/431522723.db2.gz IHNHBJWZHGZDKN-CABCVRRESA-N 1 3 307.869 2.898 20 0 DFADHO Cc1ccc2ncc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)n2c1 ZINC000656785155 431523033 /nfs/dbraw/zinc/52/30/33/431523033.db2.gz JQWSKTDOPMOKHK-QGZVFWFLSA-N 1 3 312.461 2.854 20 0 DFADHO c1cc2c(c(CN3CCC([C@H]4CCC[NH2+]C4)CC3)c1)OCO2 ZINC000656786959 431523526 /nfs/dbraw/zinc/52/35/26/431523526.db2.gz YGUSXKKQXNZOEY-HNNXBMFYSA-N 1 3 302.418 2.627 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCC2)c1C ZINC000656789793 431526044 /nfs/dbraw/zinc/52/60/44/431526044.db2.gz YSIXMLCHFZQYJW-CQSZACIVSA-N 1 3 303.450 2.882 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000660649230 431528231 /nfs/dbraw/zinc/52/82/31/431528231.db2.gz GLGVOHNAXSFMAY-FPAYPSAMSA-N 1 3 304.478 2.954 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000660649230 431528235 /nfs/dbraw/zinc/52/82/35/431528235.db2.gz GLGVOHNAXSFMAY-FPAYPSAMSA-N 1 3 304.478 2.954 20 0 DFADHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CO[C@H](C)C1 ZINC000647171914 431492520 /nfs/dbraw/zinc/49/25/20/431492520.db2.gz AEFXEXMWNSBCTM-WBVHZDCISA-N 1 3 306.450 2.674 20 0 DFADHO CN(CCN1CCC[C@]2(CC[N@H+](C)C2)C1)Cc1ccc(F)cc1 ZINC000660661372 431537469 /nfs/dbraw/zinc/53/74/69/431537469.db2.gz CTRZZVWZISXDII-LJQANCHMSA-N 1 3 319.468 2.675 20 0 DFADHO CN(CCN1CCC[C@]2(CC[N@@H+](C)C2)C1)Cc1ccc(F)cc1 ZINC000660661372 431537476 /nfs/dbraw/zinc/53/74/76/431537476.db2.gz CTRZZVWZISXDII-LJQANCHMSA-N 1 3 319.468 2.675 20 0 DFADHO CC(C)[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)N1CCCCC1 ZINC000358819928 280170445 /nfs/dbraw/zinc/17/04/45/280170445.db2.gz RYKVUMAVYVNTIY-ZWKOTPCHSA-N 1 3 323.525 2.878 20 0 DFADHO CC(C)[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)N1CCCCC1 ZINC000358819928 280170446 /nfs/dbraw/zinc/17/04/46/280170446.db2.gz RYKVUMAVYVNTIY-ZWKOTPCHSA-N 1 3 323.525 2.878 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(OC)cc1 ZINC000154264840 280187376 /nfs/dbraw/zinc/18/73/76/280187376.db2.gz GIARXAXWOBWRDS-LJQANCHMSA-N 1 3 319.493 2.764 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN(C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000660774846 431591751 /nfs/dbraw/zinc/59/17/51/431591751.db2.gz BZTOEMVGMRHHDV-OTWHNJEPSA-N 1 3 304.478 2.956 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000660774846 431591756 /nfs/dbraw/zinc/59/17/56/431591756.db2.gz BZTOEMVGMRHHDV-OTWHNJEPSA-N 1 3 304.478 2.956 20 0 DFADHO CN(C)C1(C[NH2+]Cc2ccnn2-c2ccncc2)CCCCC1 ZINC000657288832 431652673 /nfs/dbraw/zinc/65/26/73/431652673.db2.gz GIJHGLLLJZCDQS-UHFFFAOYSA-N 1 3 313.449 2.621 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cc(F)cc(F)c3)C2)C1 ZINC000650707401 431652946 /nfs/dbraw/zinc/65/29/46/431652946.db2.gz FEJZDPRBCLSXFG-KBRIMQKVSA-N 1 3 310.388 2.683 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cnc(C4CC4)s3)C2)C1 ZINC000650707584 431654449 /nfs/dbraw/zinc/65/44/49/431654449.db2.gz IZGYNUHTKWAQHT-SQWLQELKSA-N 1 3 321.490 2.739 20 0 DFADHO C[C@H]1CCCN(Cc2ccc(C(=O)NC3CC3)cc2)[C@@H]1CC[NH3+] ZINC000650710885 431656189 /nfs/dbraw/zinc/65/61/89/431656189.db2.gz BTQNNKCEQYCMMN-KBXCAEBGSA-N 1 3 315.461 2.528 20 0 DFADHO CC[C@@H]1CN(Cc2ccc(C)cc2-c2ccnn2C)CC[C@H]1[NH3+] ZINC000647497756 431607227 /nfs/dbraw/zinc/60/72/27/431607227.db2.gz UDYAOCBVLVTWGF-CRAIPNDOSA-N 1 3 312.461 2.955 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H](c2ccccc2)C1(C)C ZINC000660840562 431621631 /nfs/dbraw/zinc/62/16/31/431621631.db2.gz YWUONDTXTNODTF-ZWKOTPCHSA-N 1 3 304.478 2.956 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H](c2ccccc2)C1(C)C ZINC000660840562 431621636 /nfs/dbraw/zinc/62/16/36/431621636.db2.gz YWUONDTXTNODTF-ZWKOTPCHSA-N 1 3 304.478 2.956 20 0 DFADHO C(c1nc2c(s1)CCCC2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545732 431623972 /nfs/dbraw/zinc/62/39/72/431623972.db2.gz JVLFVCOXNRGAIB-ZIAGYGMSSA-N 1 3 305.491 2.843 20 0 DFADHO COc1c(O)cccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543124 431624974 /nfs/dbraw/zinc/62/49/74/431624974.db2.gz HVNCLXWGSZIZCL-LSDHHAIUSA-N 1 3 304.434 2.612 20 0 DFADHO COc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC000647543430 431625936 /nfs/dbraw/zinc/62/59/36/431625936.db2.gz NHBPVISWIHUEEV-HOTGVXAUSA-N 1 3 318.461 2.915 20 0 DFADHO Cc1nn(C(C)C)cc1CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650724015 431666979 /nfs/dbraw/zinc/66/69/79/431666979.db2.gz XGFNJBFWAOSNPI-KSZLIROESA-N 1 3 320.481 2.633 20 0 DFADHO COc1cc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1C ZINC000650724170 431667667 /nfs/dbraw/zinc/66/76/67/431667667.db2.gz ZLFDTOKNPUSSLK-YQVWRLOYSA-N 1 3 318.461 2.864 20 0 DFADHO Cc1c(Br)cncc1C[NH2+][C@@H](C)CCN(C)C ZINC000657335987 431681992 /nfs/dbraw/zinc/68/19/92/431681992.db2.gz VXLVUUMNHWDXAD-JTQLQIEISA-N 1 3 300.244 2.582 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000650761432 431686213 /nfs/dbraw/zinc/68/62/13/431686213.db2.gz ZTXWNOSVUDOWHZ-AAEUAGOBSA-N 1 3 312.360 2.528 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1ccc2c(c1)OC(F)(F)O2 ZINC000650761432 431686220 /nfs/dbraw/zinc/68/62/20/431686220.db2.gz ZTXWNOSVUDOWHZ-AAEUAGOBSA-N 1 3 312.360 2.528 20 0 DFADHO CCCCOc1ncccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793166 431689298 /nfs/dbraw/zinc/68/92/98/431689298.db2.gz NEWIRZOAVAXQGW-HYVNUMGLSA-N 1 3 303.450 2.738 20 0 DFADHO Fc1cc(F)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(F)c1F ZINC000647795252 431690293 /nfs/dbraw/zinc/69/02/93/431690293.db2.gz MKSPGVLSNWPRBV-KXUCPTDWSA-N 1 3 302.315 2.721 20 0 DFADHO CC[C@@H](COC)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000657370572 431705909 /nfs/dbraw/zinc/70/59/09/431705909.db2.gz IYPNGUHFJWPKFM-KRWDZBQOSA-N 1 3 319.493 2.732 20 0 DFADHO CC[C@@H](COC)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000657370572 431705914 /nfs/dbraw/zinc/70/59/14/431705914.db2.gz IYPNGUHFJWPKFM-KRWDZBQOSA-N 1 3 319.493 2.732 20 0 DFADHO CN(C)CCC[N@H+](C)CCNc1cc(Cl)c2ncccc2n1 ZINC000664245654 431713843 /nfs/dbraw/zinc/71/38/43/431713843.db2.gz QKFCARYILGSKQE-UHFFFAOYSA-N 1 3 321.856 2.579 20 0 DFADHO CN(C)CCC[N@@H+](C)CCNc1cc(Cl)c2ncccc2n1 ZINC000664245654 431713847 /nfs/dbraw/zinc/71/38/47/431713847.db2.gz QKFCARYILGSKQE-UHFFFAOYSA-N 1 3 321.856 2.579 20 0 DFADHO C[C@@H]([NH2+]Cc1cnn2c1CCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000657429187 431744097 /nfs/dbraw/zinc/74/40/97/431744097.db2.gz DSOJNRWBWHSJPJ-AEFFLSMTSA-N 1 3 324.472 2.830 20 0 DFADHO Cc1ccc(C[C@H]2CCCN2C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000647964000 431755409 /nfs/dbraw/zinc/75/54/09/431755409.db2.gz MIARARXXYSDPPC-MOPGFXCFSA-N 1 3 304.478 2.703 20 0 DFADHO Cc1ccc(C[C@H]2CCCN2C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000647964000 431755417 /nfs/dbraw/zinc/75/54/17/431755417.db2.gz MIARARXXYSDPPC-MOPGFXCFSA-N 1 3 304.478 2.703 20 0 DFADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966569 431756409 /nfs/dbraw/zinc/75/64/09/431756409.db2.gz ZJKBHSOPIRPCLN-IRXDYDNUSA-N 1 3 323.525 2.545 20 0 DFADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966569 431756412 /nfs/dbraw/zinc/75/64/12/431756412.db2.gz ZJKBHSOPIRPCLN-IRXDYDNUSA-N 1 3 323.525 2.545 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966569 431756416 /nfs/dbraw/zinc/75/64/16/431756416.db2.gz ZJKBHSOPIRPCLN-IRXDYDNUSA-N 1 3 323.525 2.545 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966569 431756423 /nfs/dbraw/zinc/75/64/23/431756423.db2.gz ZJKBHSOPIRPCLN-IRXDYDNUSA-N 1 3 323.525 2.545 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000647964664 431756478 /nfs/dbraw/zinc/75/64/78/431756478.db2.gz SZYMETKXGBPZTG-GOSISDBHSA-N 1 3 308.441 2.739 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000647964664 431756487 /nfs/dbraw/zinc/75/64/87/431756487.db2.gz SZYMETKXGBPZTG-GOSISDBHSA-N 1 3 308.441 2.739 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000647971999 431759092 /nfs/dbraw/zinc/75/90/92/431759092.db2.gz FSGPIPIQVLUBFW-IPMKNSEASA-N 1 3 304.478 2.689 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000647971999 431759100 /nfs/dbraw/zinc/75/91/00/431759100.db2.gz FSGPIPIQVLUBFW-IPMKNSEASA-N 1 3 304.478 2.689 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1coc2ccccc12 ZINC000657572651 431814408 /nfs/dbraw/zinc/81/44/08/431814408.db2.gz AGISXRUCTIZXCP-HNNXBMFYSA-N 1 3 303.450 2.794 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc2cc(F)ccc2o1 ZINC000657574220 431815311 /nfs/dbraw/zinc/81/53/11/431815311.db2.gz UGIYJULHKXDNQU-AWEZNQCLSA-N 1 3 321.440 2.934 20 0 DFADHO CCC[C@H]1CN(C[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000647990902 431766352 /nfs/dbraw/zinc/76/63/52/431766352.db2.gz UDNGWFRFFJGLHN-MOPGFXCFSA-N 1 3 301.478 2.582 20 0 DFADHO CCCN(C[C@H]1CC[NH2+]C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000647991219 431767776 /nfs/dbraw/zinc/76/77/76/431767776.db2.gz MEHNBGWUHQMALR-CVEARBPZSA-N 1 3 303.450 2.725 20 0 DFADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cccs3)cc2)C1 ZINC000657596390 431820756 /nfs/dbraw/zinc/82/07/56/431820756.db2.gz VWUYROUTXXMJGM-MRXNPFEDSA-N 1 3 302.443 2.605 20 0 DFADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cccs3)cc2)C1 ZINC000657596390 431820759 /nfs/dbraw/zinc/82/07/59/431820759.db2.gz VWUYROUTXXMJGM-MRXNPFEDSA-N 1 3 302.443 2.605 20 0 DFADHO CC[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000657612672 431825505 /nfs/dbraw/zinc/82/55/05/431825505.db2.gz CGVOBIMCYHDVFJ-OALUTQOASA-N 1 3 317.477 2.841 20 0 DFADHO c1cc(CN2CCC(C[NH2+]C[C@@H]3CCSC3)CC2)ccn1 ZINC000657613924 431825548 /nfs/dbraw/zinc/82/55/48/431825548.db2.gz XAZNEJBLCVCDPQ-KRWDZBQOSA-N 1 3 305.491 2.636 20 0 DFADHO CN(C)C[C@@H](NC(=O)C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000648154035 431826167 /nfs/dbraw/zinc/82/61/67/431826167.db2.gz TWCCJCHXSXCXAQ-AVVWSFFYSA-N 1 3 323.868 2.576 20 0 DFADHO FC1(F)C[C@@H]1OCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000657618291 431827655 /nfs/dbraw/zinc/82/76/55/431827655.db2.gz FNTJKTGGZZEARF-HNNXBMFYSA-N 1 3 302.409 2.797 20 0 DFADHO CN(C)CCN(C(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237113707 289120743 /nfs/dbraw/zinc/12/07/43/289120743.db2.gz HQGWBJCPYPYZQA-SFHVURJKSA-N 1 3 311.429 2.671 20 0 DFADHO C[NH+]1CCC(O)(CNC(c2ccccc2)c2ccccc2)CC1 ZINC000272430102 289888165 /nfs/dbraw/zinc/88/81/65/289888165.db2.gz NCZWCGJMBVUVBW-UHFFFAOYSA-N 1 3 310.441 2.822 20 0 DFADHO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)[C@H](C)CN1Cc1ccccc1 ZINC000261774091 297027822 /nfs/dbraw/zinc/02/78/22/297027822.db2.gz DYQJCQXKAMGNDV-LMMKCTJWSA-N 1 3 301.478 2.581 20 0 DFADHO CC[NH+](CC)CCOCCNCc1ccc2nc(C)ccc2c1 ZINC000437956150 297075533 /nfs/dbraw/zinc/07/55/33/297075533.db2.gz RPYPECIFFAYZSG-UHFFFAOYSA-N 1 3 315.461 2.991 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(F)c(OC)c1 ZINC000154184876 295294009 /nfs/dbraw/zinc/29/40/09/295294009.db2.gz YRASRIMEWMMLSY-UKRRQHHQSA-N 1 3 312.429 2.842 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000154344246 295297752 /nfs/dbraw/zinc/29/77/52/295297752.db2.gz QZCFFXZYEZTOCB-FQEVSTJZSA-N 1 3 315.505 2.625 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)c(F)c1 ZINC000154348157 295297934 /nfs/dbraw/zinc/29/79/34/295297934.db2.gz SQWOUWXNUMCVDI-OAHLLOKOSA-N 1 3 323.456 2.513 20 0 DFADHO CCC(C)(C)[C@H]1CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000156978997 295343556 /nfs/dbraw/zinc/34/35/56/295343556.db2.gz SPLWATKZUPWQES-QGZVFWFLSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)CN1C1CC1 ZINC000157547392 295349817 /nfs/dbraw/zinc/34/98/17/295349817.db2.gz YOVJSIVZEPOSLO-WBVHZDCISA-N 1 3 305.510 2.998 20 0 DFADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158128826 295358595 /nfs/dbraw/zinc/35/85/95/295358595.db2.gz UNGWTGMXTXNCBG-KBPBESRZSA-N 1 3 315.461 2.909 20 0 DFADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158128826 295358596 /nfs/dbraw/zinc/35/85/96/295358596.db2.gz UNGWTGMXTXNCBG-KBPBESRZSA-N 1 3 315.461 2.909 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C)C2)cc1NC(C)=O ZINC000158217693 295360223 /nfs/dbraw/zinc/36/02/23/295360223.db2.gz SLPIWHPDRJSDDO-UKRRQHHQSA-N 1 3 319.449 2.646 20 0 DFADHO CCC[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccccn1 ZINC000159090221 295371707 /nfs/dbraw/zinc/37/17/07/295371707.db2.gz ADXMFXVSVAMXLU-SJORKVTESA-N 1 3 305.466 2.749 20 0 DFADHO CCC[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccccn1 ZINC000159090221 295371708 /nfs/dbraw/zinc/37/17/08/295371708.db2.gz ADXMFXVSVAMXLU-SJORKVTESA-N 1 3 305.466 2.749 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370763276 295462788 /nfs/dbraw/zinc/46/27/88/295462788.db2.gz HXKDXLMAYQBLQD-UMAGBFNSSA-N 1 3 309.498 2.519 20 0 DFADHO C[C@H]1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000397489857 295487972 /nfs/dbraw/zinc/48/79/72/295487972.db2.gz HHKCPTOOVSWZJH-WMZOPIPTSA-N 1 3 302.462 2.792 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000411484317 295542202 /nfs/dbraw/zinc/54/22/02/295542202.db2.gz DTCBQAXUQCAOJV-CGTJXYLNSA-N 1 3 323.525 2.637 20 0 DFADHO c1ccc(CCN2CC[C@H](C[NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000438218154 297085144 /nfs/dbraw/zinc/08/51/44/297085144.db2.gz XWWOCRHVKHWNAE-RTBURBONSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442887946 297209763 /nfs/dbraw/zinc/20/97/63/297209763.db2.gz CFPSREDOGRWDSV-KBXCAEBGSA-N 1 3 319.468 2.675 20 0 DFADHO [NH3+]CC[C@H]1CCCN(Cc2cnc(-c3ccncc3)s2)C1 ZINC000442918244 297211101 /nfs/dbraw/zinc/21/11/01/297211101.db2.gz GKZBLRRGMXYVBE-CYBMUJFWSA-N 1 3 302.447 2.766 20 0 DFADHO Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)cc1C ZINC000443061953 297214358 /nfs/dbraw/zinc/21/43/58/297214358.db2.gz SOWLMBTWVLSRKO-HZPDHXFCSA-N 1 3 303.450 2.691 20 0 DFADHO CC[N@H+](CC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCCC[C@@H]1C ZINC000444670162 297244184 /nfs/dbraw/zinc/24/41/84/297244184.db2.gz FIIUEDKABDVIHX-MAUKXSAKSA-N 1 3 321.509 2.630 20 0 DFADHO CC[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCCC[C@@H]1C ZINC000444670162 297244185 /nfs/dbraw/zinc/24/41/85/297244185.db2.gz FIIUEDKABDVIHX-MAUKXSAKSA-N 1 3 321.509 2.630 20 0 DFADHO CC[N@H+](CC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCCC[C@H]1C ZINC000444670163 297244190 /nfs/dbraw/zinc/24/41/90/297244190.db2.gz FIIUEDKABDVIHX-QAPCUYQASA-N 1 3 321.509 2.630 20 0 DFADHO CC[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCCC[C@H]1C ZINC000444670163 297244191 /nfs/dbraw/zinc/24/41/91/297244191.db2.gz FIIUEDKABDVIHX-QAPCUYQASA-N 1 3 321.509 2.630 20 0 DFADHO CCC(CC)(C[NH3+])C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000447436977 297303809 /nfs/dbraw/zinc/30/38/09/297303809.db2.gz XUQXEGUZRONDHD-KRWDZBQOSA-N 1 3 313.445 2.721 20 0 DFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCN(C)C)CC1 ZINC000449062451 297398854 /nfs/dbraw/zinc/39/88/54/297398854.db2.gz JPCUROFFKOGWMH-QGZVFWFLSA-N 1 3 303.494 2.623 20 0 DFADHO CC[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000453175123 298068621 /nfs/dbraw/zinc/06/86/21/298068621.db2.gz LGYFJCOINIARSH-QGZVFWFLSA-N 1 3 314.433 2.658 20 0 DFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000497089568 300159641 /nfs/dbraw/zinc/15/96/41/300159641.db2.gz NHKWEUNPRPXYBN-XSCHDIRWSA-N 1 3 311.470 2.505 20 0 DFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000497089568 300159642 /nfs/dbraw/zinc/15/96/42/300159642.db2.gz NHKWEUNPRPXYBN-XSCHDIRWSA-N 1 3 311.470 2.505 20 0 DFADHO CC[C@H](CN[C@H]1CC[N@H+](CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000497157758 300170306 /nfs/dbraw/zinc/17/03/06/300170306.db2.gz DNXRTLZBULUUBK-KFWWJZLASA-N 1 3 313.486 2.610 20 0 DFADHO CC[C@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000497157758 300170308 /nfs/dbraw/zinc/17/03/08/300170308.db2.gz DNXRTLZBULUUBK-KFWWJZLASA-N 1 3 313.486 2.610 20 0 DFADHO O[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000507461404 300235559 /nfs/dbraw/zinc/23/55/59/300235559.db2.gz LUHLBRUZSLPQSK-WKWVNEEDSA-N 1 3 314.473 2.790 20 0 DFADHO C[C@H]1C[C@@H]([NH3+])CCN1CCC(=O)Nc1cccc2ccccc21 ZINC000514612103 300262889 /nfs/dbraw/zinc/26/28/89/300262889.db2.gz JTVWEUKZQYHQEW-HOCLYGCPSA-N 1 3 311.429 2.980 20 0 DFADHO COCCCOc1cccc(CN2CCC(CC[NH3+])CC2)c1 ZINC000514733010 300269311 /nfs/dbraw/zinc/26/93/11/300269311.db2.gz GIBULQXKBPGLFN-UHFFFAOYSA-N 1 3 306.450 2.663 20 0 DFADHO C/C=C\c1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000514961044 300282237 /nfs/dbraw/zinc/28/22/37/300282237.db2.gz DCXIWKGXUIVBDB-SREVYHEPSA-N 1 3 318.465 2.677 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000515074775 300289416 /nfs/dbraw/zinc/28/94/16/300289416.db2.gz YHVJTXMGJJNURU-QZTJIDSGSA-N 1 3 312.461 2.973 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000515074775 300289418 /nfs/dbraw/zinc/28/94/18/300289418.db2.gz YHVJTXMGJJNURU-QZTJIDSGSA-N 1 3 312.461 2.973 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCOCC(F)(F)F ZINC000515232709 300296594 /nfs/dbraw/zinc/29/65/94/300296594.db2.gz FXWXZBZBXSVNOG-JSGCOSHPSA-N 1 3 304.356 2.504 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@@H]2CCCNC2)cc1OC ZINC000516861233 300363894 /nfs/dbraw/zinc/36/38/94/300363894.db2.gz CKOJNTZZFKLCLG-ZMSDIMECSA-N 1 3 320.477 2.860 20 0 DFADHO COc1cc(C)c(C[C@@H](C)NCCC[NH2+]C(C)C)cc1OC ZINC000519138306 300444947 /nfs/dbraw/zinc/44/49/47/300444947.db2.gz SFWFCLWSEIVNMA-OAHLLOKOSA-N 1 3 308.466 2.921 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)C1 ZINC000521899484 300541146 /nfs/dbraw/zinc/54/11/46/300541146.db2.gz YDPXTVKHGOKSST-FRRDWIJNSA-N 1 3 311.832 2.917 20 0 DFADHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@H]1CC12CC2 ZINC000527872003 300704652 /nfs/dbraw/zinc/70/46/52/300704652.db2.gz WIZCBSAGBZOVEH-DLBZAZTESA-N 1 3 305.510 2.715 20 0 DFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2COC2)ccc1OC ZINC000528028306 300730469 /nfs/dbraw/zinc/73/04/69/300730469.db2.gz VZHFSZPYPPXQSQ-AWEZNQCLSA-N 1 3 306.450 2.834 20 0 DFADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000530024873 301006316 /nfs/dbraw/zinc/00/63/16/301006316.db2.gz YBBUOLKQMGCWRY-MSOLQXFVSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000530024873 301006317 /nfs/dbraw/zinc/00/63/17/301006317.db2.gz YBBUOLKQMGCWRY-MSOLQXFVSA-N 1 3 319.493 2.527 20 0 DFADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCNC12CCC2 ZINC000530178399 301026343 /nfs/dbraw/zinc/02/63/43/301026343.db2.gz KZVMOWLRQXLXOS-YJBOKZPZSA-N 1 3 318.461 2.899 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1cccc2c1OC(F)(F)O2 ZINC000530216211 301029815 /nfs/dbraw/zinc/02/98/15/301029815.db2.gz OAVPBOIGHUSTCT-WCQYABFASA-N 1 3 312.360 2.528 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530216211 301029817 /nfs/dbraw/zinc/02/98/17/301029817.db2.gz OAVPBOIGHUSTCT-WCQYABFASA-N 1 3 312.360 2.528 20 0 DFADHO CCC(F)(F)C(C)(C)CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000530219702 301030904 /nfs/dbraw/zinc/03/09/04/301030904.db2.gz QAWBHZLFQHEFMM-MELADBBJSA-N 1 3 304.425 2.805 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000530223301 301031885 /nfs/dbraw/zinc/03/18/85/301031885.db2.gz SYRWQBAKNJXXLR-YESZJQIVSA-N 1 3 303.450 2.533 20 0 DFADHO c1cc2c(cc1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)OCCNC2 ZINC000530247331 301033835 /nfs/dbraw/zinc/03/38/35/301033835.db2.gz QFKUDZKDNSOUHZ-YESZJQIVSA-N 1 3 301.434 2.501 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2cncn2C)CC1 ZINC000530513256 301052839 /nfs/dbraw/zinc/05/28/39/301052839.db2.gz XNWBXZBJWVWOLJ-QAPCUYQASA-N 1 3 304.482 2.595 20 0 DFADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531701606 301104798 /nfs/dbraw/zinc/10/47/98/301104798.db2.gz AMEZCBIBKPHRQJ-CABCVRRESA-N 1 3 315.461 2.954 20 0 DFADHO CCCN1CC[C@@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000531956376 301120975 /nfs/dbraw/zinc/12/09/75/301120975.db2.gz BSRHEINAQSEXEW-HSBZDZAISA-N 1 3 308.388 2.544 20 0 DFADHO C[C@@H]1CCN(CCNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000531984234 301123071 /nfs/dbraw/zinc/12/30/71/301123071.db2.gz POAXBUUFVAYHEZ-LMMKCTJWSA-N 1 3 307.526 2.961 20 0 DFADHO c1nc2cc(C[NH2+]CC3CCN(c4ccncc4)CC3)ccc2[nH]1 ZINC000540067901 301357210 /nfs/dbraw/zinc/35/72/10/301357210.db2.gz DCOMUBLMRNNHKM-UHFFFAOYSA-N 1 3 321.428 2.964 20 0 DFADHO C[C@H](O)CN(Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563271556 302056418 /nfs/dbraw/zinc/05/64/18/302056418.db2.gz WUZINRGTJRFOOU-INIZCTEOSA-N 1 3 310.441 2.715 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000563424711 302071064 /nfs/dbraw/zinc/07/10/64/302071064.db2.gz LMBAGNKOSCEUGM-MSOLQXFVSA-N 1 3 315.461 2.672 20 0 DFADHO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000563492003 302076902 /nfs/dbraw/zinc/07/69/02/302076902.db2.gz CJOWTQBCWDYXPB-QAETUUGQSA-N 1 3 309.498 2.581 20 0 DFADHO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000563492003 302076905 /nfs/dbraw/zinc/07/69/05/302076905.db2.gz CJOWTQBCWDYXPB-QAETUUGQSA-N 1 3 309.498 2.581 20 0 DFADHO C[C@@H](CN[C@H]1CCC[NH2+]CC1)c1nc(-c2ccccc2)no1 ZINC000563804428 302099304 /nfs/dbraw/zinc/09/93/04/302099304.db2.gz FWSJJKLFJQJIFZ-ZFWWWQNUSA-N 1 3 300.406 2.572 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cncc(Br)c1 ZINC000564742286 302156022 /nfs/dbraw/zinc/15/60/22/302156022.db2.gz YBPTUXHOFGGWQH-VXGBXAGGSA-N 1 3 324.266 2.979 20 0 DFADHO Cc1c([C@@H](C)NCC[C@H]2CC[NH2+]C2)nnn1-c1ccc(C)cc1 ZINC000564821887 302161018 /nfs/dbraw/zinc/16/10/18/302161018.db2.gz ABIZQJDFENBSSI-GDBMZVCRSA-N 1 3 313.449 2.534 20 0 DFADHO Fc1ccc(CCNCc2cc(C3CC[NH2+]CC3)no2)cc1F ZINC000564888446 302169279 /nfs/dbraw/zinc/16/92/79/302169279.db2.gz PPAAJSRHVDLPJH-UHFFFAOYSA-N 1 3 321.371 2.752 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CNCc2ccccc21 ZINC000564982950 302179157 /nfs/dbraw/zinc/17/91/57/302179157.db2.gz DKYYUKWKBHTXIM-QGZVFWFLSA-N 1 3 309.413 2.622 20 0 DFADHO CC[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000565491840 302227611 /nfs/dbraw/zinc/22/76/11/302227611.db2.gz RVHUEYMUXSVCFU-IPMKNSEASA-N 1 3 301.478 2.683 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCC12CCOCC2 ZINC000565827554 302243981 /nfs/dbraw/zinc/24/39/81/302243981.db2.gz BIXYFYZUJJPSMX-PBHICJAKSA-N 1 3 303.450 2.849 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000566087972 302258090 /nfs/dbraw/zinc/25/80/90/302258090.db2.gz IJZCIOSTTMHMEC-ARFHVFGLSA-N 1 3 303.450 2.690 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000567102853 302335500 /nfs/dbraw/zinc/33/55/00/302335500.db2.gz XKNRRFWTCUNCEV-VIBAHUMZSA-N 1 3 315.461 2.847 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)NCc1ccc(C[NH3+])cc1 ZINC000567613107 302373255 /nfs/dbraw/zinc/37/32/55/302373255.db2.gz NMDGXAWNLUOEPB-CYBMUJFWSA-N 1 3 315.392 2.791 20 0 DFADHO C[C@H](N[C@@H]1CCN(c2cccc(Cl)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000567641190 302375728 /nfs/dbraw/zinc/37/57/28/302375728.db2.gz KHMJRKMZEIJEMZ-OFQRWUPVSA-N 1 3 307.869 2.896 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)[C@H]1CCCNC1 ZINC000567641190 302375730 /nfs/dbraw/zinc/37/57/30/302375730.db2.gz KHMJRKMZEIJEMZ-OFQRWUPVSA-N 1 3 307.869 2.896 20 0 DFADHO CC(C)OCC[C@H](O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000567684421 302379611 /nfs/dbraw/zinc/37/96/11/302379611.db2.gz ITOKNDWAXKEKGL-SFHVURJKSA-N 1 3 312.498 2.549 20 0 DFADHO CC(C)OCC[C@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000567684421 302379612 /nfs/dbraw/zinc/37/96/12/302379612.db2.gz ITOKNDWAXKEKGL-SFHVURJKSA-N 1 3 312.498 2.549 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCc2nc(-c3ccccn3)cs2)C1 ZINC000569355415 302514405 /nfs/dbraw/zinc/51/44/05/302514405.db2.gz LBBIYLFXZBXBDP-OLZOCXBDSA-N 1 3 302.447 2.607 20 0 DFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000570867473 302595903 /nfs/dbraw/zinc/59/59/03/302595903.db2.gz KBNCQNKLYADNBU-CQSZACIVSA-N 1 3 316.449 2.532 20 0 DFADHO CCO[C@H]1C[C@@H](NCc2ccccc2OCC[NH+](C)C)C1(C)C ZINC000181627217 316066102 /nfs/dbraw/zinc/06/61/02/316066102.db2.gz NAWQQRMDSHCQGU-MSOLQXFVSA-N 1 3 320.477 2.920 20 0 DFADHO C[C@H](CCNC(=O)[C@@H](C)N1CCCCCC1)[NH+]1CCCCC1 ZINC000182224260 316090630 /nfs/dbraw/zinc/09/06/30/316090630.db2.gz GVQJBTSHOKOWFW-IAGOWNOFSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@H](CCNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)[NH+]1CCCCC1 ZINC000182918164 316123669 /nfs/dbraw/zinc/12/36/69/316123669.db2.gz AFMJVVWTXVHKMX-VQHPVUNQSA-N 1 3 309.498 2.628 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(OCC(F)(F)F)c1 ZINC000414794833 316660603 /nfs/dbraw/zinc/66/06/03/316660603.db2.gz MGIREYYDDMCENS-TZMCWYRMSA-N 1 3 302.340 2.845 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cnc(-c2ccccn2)s1 ZINC000414812165 316665932 /nfs/dbraw/zinc/66/59/32/316665932.db2.gz WZGNFQHRVANNKO-JSGCOSHPSA-N 1 3 302.447 2.812 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@H]2C)[C@H]1SC ZINC000459366799 317322886 /nfs/dbraw/zinc/32/28/86/317322886.db2.gz BVNWLERQTYLERZ-QKPAOTATSA-N 1 3 300.512 2.750 20 0 DFADHO C[C@@H]1C[C@@H]1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000488410081 317390869 /nfs/dbraw/zinc/39/08/69/317390869.db2.gz HZRMTQCSOFETTP-UYAOXDASSA-N 1 3 315.505 2.830 20 0 DFADHO CC(C)C[C@@H](CN1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000489991510 317503291 /nfs/dbraw/zinc/50/32/91/317503291.db2.gz UGVJYMNIBSVVBU-VQTJNVASSA-N 1 3 315.505 2.796 20 0 DFADHO CCC[C@H](N)C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000518369876 317711334 /nfs/dbraw/zinc/71/13/34/317711334.db2.gz CYHMQSRESJJANS-JQHSSLGASA-N 1 3 319.493 2.996 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CC12CC2 ZINC000527907420 317754770 /nfs/dbraw/zinc/75/47/70/317754770.db2.gz HYIXBQOPTOCLHO-AEFFLSMTSA-N 1 3 314.473 2.792 20 0 DFADHO C[C@H](CNC(=O)c1ccccc1CN(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000572787441 318003915 /nfs/dbraw/zinc/00/39/15/318003915.db2.gz UHJRHLNEQCHJPS-JKSUJKDBSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@H](CNC(=O)c1ccccc1CN(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000572787441 318003918 /nfs/dbraw/zinc/00/39/18/318003918.db2.gz UHJRHLNEQCHJPS-JKSUJKDBSA-N 1 3 317.477 2.598 20 0 DFADHO CN[C@@H](C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000574531106 318023332 /nfs/dbraw/zinc/02/33/32/318023332.db2.gz LKEYRVXVYFNBKZ-HNNXBMFYSA-N 1 3 317.477 2.675 20 0 DFADHO CN[C@@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000574531106 318023334 /nfs/dbraw/zinc/02/33/34/318023334.db2.gz LKEYRVXVYFNBKZ-HNNXBMFYSA-N 1 3 317.477 2.675 20 0 DFADHO C[C@@H](NCC1CC[NH2+]CC1)c1nc2ccc(Cl)cc2n1C ZINC000575242598 318072221 /nfs/dbraw/zinc/07/22/21/318072221.db2.gz YVPOISPOTUZVFL-LLVKDONJSA-N 1 3 306.841 2.877 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)C[C@H](C)O1 ZINC000575747688 318080880 /nfs/dbraw/zinc/08/08/80/318080880.db2.gz JXFSQQKEXOJYCV-ALXJQNPVSA-N 1 3 320.477 2.715 20 0 DFADHO C[C@@H](C[NH2+]Cc1ccncc1OCCN(C)C)c1ccccc1 ZINC000575837732 318086397 /nfs/dbraw/zinc/08/63/97/318086397.db2.gz LWRLFNHENMXFLF-INIZCTEOSA-N 1 3 313.445 2.915 20 0 DFADHO C[NH+](C)CC[C@H](NC[C@@H](O)Cc1ccc(F)cc1)C(C)(C)C ZINC000577054819 318168074 /nfs/dbraw/zinc/16/80/74/318168074.db2.gz FGBZGAQCSLOTCI-IRXDYDNUSA-N 1 3 310.457 2.685 20 0 DFADHO OC1(C[NH2+][C@H]2CCCC23CC3)CCN(Cc2ccccc2)CC1 ZINC000577125552 318173168 /nfs/dbraw/zinc/17/31/68/318173168.db2.gz UWEOLYXEZHEEFQ-SFHVURJKSA-N 1 3 314.473 2.936 20 0 DFADHO Cc1ccccc1OC[C@H](O)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC000577276117 318182405 /nfs/dbraw/zinc/18/24/05/318182405.db2.gz RMCDFJAFRKZNFP-ZWKOTPCHSA-N 1 3 320.477 2.589 20 0 DFADHO CCc1ccc([C@H](CN[C@H](C)[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000577363133 318188119 /nfs/dbraw/zinc/18/81/19/318188119.db2.gz YJHOKZXJVGGLBJ-MNEFBYGVSA-N 1 3 303.494 2.829 20 0 DFADHO CC[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000577739725 318213655 /nfs/dbraw/zinc/21/36/55/318213655.db2.gz DJKWDVMFEDIZBK-ILZDJORESA-N 1 3 315.505 2.801 20 0 DFADHO CC1CCN([C@H](CNC(=O)CCCC[NH3+])c2ccccc2)CC1 ZINC000577865193 318223416 /nfs/dbraw/zinc/22/34/16/318223416.db2.gz LWVBKWDOJIMDBH-GOSISDBHSA-N 1 3 317.477 2.705 20 0 DFADHO COc1cc2c(cc1OC)[C@H](NCc1ccc(C[NH3+])cc1)CC2 ZINC000578237727 318247828 /nfs/dbraw/zinc/24/78/28/318247828.db2.gz BQANJRZDFDMMKJ-QGZVFWFLSA-N 1 3 312.413 2.940 20 0 DFADHO Cc1ccc(NC(=O)CCNCC2([NH+](C)C)CCCCC2)nc1 ZINC000578482485 318263357 /nfs/dbraw/zinc/26/33/57/318263357.db2.gz GPUBNQZSGNHIBI-UHFFFAOYSA-N 1 3 318.465 2.573 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618584 318273118 /nfs/dbraw/zinc/27/31/18/318273118.db2.gz HXGUAVGJIYASFX-LMMKCTJWSA-N 1 3 304.478 2.861 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618584 318273120 /nfs/dbraw/zinc/27/31/20/318273120.db2.gz HXGUAVGJIYASFX-LMMKCTJWSA-N 1 3 304.478 2.861 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618584 318273122 /nfs/dbraw/zinc/27/31/22/318273122.db2.gz HXGUAVGJIYASFX-LMMKCTJWSA-N 1 3 304.478 2.861 20 0 DFADHO CN[C@H](C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000578642904 318275640 /nfs/dbraw/zinc/27/56/40/318275640.db2.gz GFQULWZNYCACRG-OAHLLOKOSA-N 1 3 303.450 2.507 20 0 DFADHO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000578832262 318287586 /nfs/dbraw/zinc/28/75/86/318287586.db2.gz JSXIIOQWNXFGLT-MTHXSQLBSA-N 1 3 300.446 2.664 20 0 DFADHO COc1cc(OC)c(C[C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000578882404 318292612 /nfs/dbraw/zinc/29/26/12/318292612.db2.gz KQPLDXODAYALQL-MELADBBJSA-N 1 3 322.449 2.503 20 0 DFADHO COc1cc(OC)c(C[C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000578882405 318292630 /nfs/dbraw/zinc/29/26/30/318292630.db2.gz KQPLDXODAYALQL-MJBXVCDLSA-N 1 3 322.449 2.503 20 0 DFADHO Cc1ccc(C[NH2+]CCCCN2CCN(C)CC2)cc1Cl ZINC000579075607 318304921 /nfs/dbraw/zinc/30/49/21/318304921.db2.gz UUYPUKVXLHSIIV-UHFFFAOYSA-N 1 3 309.885 2.766 20 0 DFADHO Cc1ncc2c(n1)CC[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000579825103 318356320 /nfs/dbraw/zinc/35/63/20/318356320.db2.gz MDCQGHIMNCHACH-QFHJOOASSA-N 1 3 314.477 2.543 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000195484523 323282594 /nfs/dbraw/zinc/28/25/94/323282594.db2.gz KFBPTDGFCLNWQA-UHFFFAOYSA-N 1 3 318.465 2.602 20 0 DFADHO CC(C)[NH+]1CCC(N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000381001173 323292928 /nfs/dbraw/zinc/29/29/28/323292928.db2.gz OOAOHPGKXJBIKP-KGLIPLIRSA-N 1 3 313.486 2.751 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)CN(C)C ZINC000381878657 323295998 /nfs/dbraw/zinc/29/59/98/323295998.db2.gz NYBGBNGDPYVCDJ-RBSFLKMASA-N 1 3 313.486 2.610 20 0 DFADHO OC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000386150904 323316044 /nfs/dbraw/zinc/31/60/44/323316044.db2.gz TVXVRPZQUQEIJJ-GOSISDBHSA-N 1 3 303.450 2.581 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)CC2 ZINC000387574356 323326591 /nfs/dbraw/zinc/32/65/91/323326591.db2.gz OMBWQSTXVNXCNS-MAUKXSAKSA-N 1 3 302.462 2.872 20 0 DFADHO COc1ccc(C2CCC([NH2+]CCOCCN(C)C)CC2)cc1 ZINC000583604504 323884200 /nfs/dbraw/zinc/88/42/00/323884200.db2.gz GOMLQCOSWLBUBR-UHFFFAOYSA-N 1 3 320.477 2.889 20 0 DFADHO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000414153297 500708702 /nfs/dbraw/zinc/70/87/02/500708702.db2.gz ZCMNXHXZULOESQ-KYJSFNMBSA-N 1 3 306.450 2.845 20 0 DFADHO COc1ccccc1[C@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000283424554 500864297 /nfs/dbraw/zinc/86/42/97/500864297.db2.gz WMFKUNUYSCJLCV-KRWDZBQOSA-N 1 3 319.493 2.762 20 0 DFADHO CC[NH+](CC)CCCN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000365190247 520594427 /nfs/dbraw/zinc/59/44/27/520594427.db2.gz GKWBXHQQQSBDST-OALUTQOASA-N 1 3 318.509 2.738 20 0 DFADHO CC(C)(C)C1CCC(C[N@@H+]2CC[C@@H](N3CCNCC3)C2)CC1 ZINC000262488388 534554776 /nfs/dbraw/zinc/55/47/76/534554776.db2.gz KSPIZLDJVAGCIC-DAWZGUTISA-N 1 3 307.526 2.818 20 0 DFADHO CC(C)(C)C1CCC(C[N@H+]2CC[C@@H](N3CCNCC3)C2)CC1 ZINC000262488388 534554782 /nfs/dbraw/zinc/55/47/82/534554782.db2.gz KSPIZLDJVAGCIC-DAWZGUTISA-N 1 3 307.526 2.818 20 0 DFADHO CCOC(CN1CCC(C[NH+]2CCC(C)CC2)CC1)OCC ZINC000363809689 521630626 /nfs/dbraw/zinc/63/06/26/521630626.db2.gz BTZGBHQDBHLGCE-UHFFFAOYSA-N 1 3 312.498 2.829 20 0 DFADHO Cc1nccn1CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310320783 534774370 /nfs/dbraw/zinc/77/43/70/534774370.db2.gz YPIAYMWLCUCSPL-UXHICEINSA-N 1 3 324.472 2.645 20 0 DFADHO Cc1nccn1CCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310320783 534774374 /nfs/dbraw/zinc/77/43/74/534774374.db2.gz YPIAYMWLCUCSPL-UXHICEINSA-N 1 3 324.472 2.645 20 0 DFADHO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1C ZINC000128357349 525724761 /nfs/dbraw/zinc/72/47/61/525724761.db2.gz OOVBYWGFUWHEQN-GOSISDBHSA-N 1 3 303.494 2.982 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C12CCC2 ZINC000294312727 527936307 /nfs/dbraw/zinc/93/63/07/527936307.db2.gz WBSJTEZOAGPEER-ZWKOTPCHSA-N 1 3 315.461 2.988 20 0 DFADHO CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1O ZINC000298120674 528259584 /nfs/dbraw/zinc/25/95/84/528259584.db2.gz PFDSDAWTHPYAAI-XYPWUTKMSA-N 1 3 304.434 2.848 20 0 DFADHO CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1O ZINC000298120674 528259585 /nfs/dbraw/zinc/25/95/85/528259585.db2.gz PFDSDAWTHPYAAI-XYPWUTKMSA-N 1 3 304.434 2.848 20 0 DFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000362646444 535137857 /nfs/dbraw/zinc/13/78/57/535137857.db2.gz KPBHFNOFZDZPFP-MSOLQXFVSA-N 1 3 323.525 2.591 20 0 DFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000362646444 535137861 /nfs/dbraw/zinc/13/78/61/535137861.db2.gz KPBHFNOFZDZPFP-MSOLQXFVSA-N 1 3 323.525 2.591 20 0 DFADHO CC(C)[C@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)N1CCCCC1 ZINC000361396963 535326259 /nfs/dbraw/zinc/32/62/59/535326259.db2.gz IWIYGTALLJTXGB-QGZVFWFLSA-N 1 3 323.525 2.735 20 0 DFADHO CC[NH2+]CC1CCN(CCOc2ccccc2C(C)=O)CC1 ZINC000262304179 535458356 /nfs/dbraw/zinc/45/83/56/535458356.db2.gz OZOCFXZDLCYISE-UHFFFAOYSA-N 1 3 304.434 2.590 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000361725887 535654260 /nfs/dbraw/zinc/65/42/60/535654260.db2.gz GLNSDMYWKQIJGG-RHSMWYFYSA-N 1 3 309.498 2.521 20 0 DFADHO CN(C)Cc1ccc(-c2noc(CCC3CC[NH2+]CC3)n2)cc1 ZINC000261703636 535994454 /nfs/dbraw/zinc/99/44/54/535994454.db2.gz IFXNYBUKCWCJHU-UHFFFAOYSA-N 1 3 314.433 2.730 20 0 DFADHO C[NH2+][C@@H](C)Cc1noc(C2CCN(Cc3ccccc3)CC2)n1 ZINC000261795957 536348382 /nfs/dbraw/zinc/34/83/82/536348382.db2.gz OVPQVLMTWOKOES-AWEZNQCLSA-N 1 3 314.433 2.600 20 0 DFADHO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C=CCCC1 ZINC000249533427 536452900 /nfs/dbraw/zinc/45/29/00/536452900.db2.gz BRAASBWTQHSMHM-RTBURBONSA-N 1 3 300.446 2.664 20 0 DFADHO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C=CCCC1 ZINC000249533427 536452902 /nfs/dbraw/zinc/45/29/02/536452902.db2.gz BRAASBWTQHSMHM-RTBURBONSA-N 1 3 300.446 2.664 20 0 DFADHO COc1cccc(C[C@@H](C)NC2CC([NH+]3CCCCC3)C2)n1 ZINC000355594568 537113361 /nfs/dbraw/zinc/11/33/61/537113361.db2.gz AIFHEZDHPNLIOA-ODIFPOPNSA-N 1 3 303.450 2.628 20 0 DFADHO CC[C@]1(O)CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681755558 545715942 /nfs/dbraw/zinc/71/59/42/545715942.db2.gz VNYDBNHGZUBCHX-IBGZPJMESA-N 1 3 318.461 2.508 20 0 DFADHO C[C@H]1C[N@H+](CCCNCc2cccc3cnccc32)CCCO1 ZINC000683343913 546015362 /nfs/dbraw/zinc/01/53/62/546015362.db2.gz BUEYEKRXXJZTKR-INIZCTEOSA-N 1 3 313.445 2.825 20 0 DFADHO C[C@H]1C[N@@H+](CCCNCc2cccc3cnccc32)CCCO1 ZINC000683343913 546015365 /nfs/dbraw/zinc/01/53/65/546015365.db2.gz BUEYEKRXXJZTKR-INIZCTEOSA-N 1 3 313.445 2.825 20 0 DFADHO CN1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000683690288 546076002 /nfs/dbraw/zinc/07/60/02/546076002.db2.gz GHSWXHAGRUUNRO-LWYYNNOASA-N 1 3 313.489 2.866 20 0 DFADHO CN1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683690288 546076009 /nfs/dbraw/zinc/07/60/09/546076009.db2.gz GHSWXHAGRUUNRO-LWYYNNOASA-N 1 3 313.489 2.866 20 0 DFADHO CN1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683690288 546076013 /nfs/dbraw/zinc/07/60/13/546076013.db2.gz GHSWXHAGRUUNRO-LWYYNNOASA-N 1 3 313.489 2.866 20 0 DFADHO Nc1cc(CN2CCC(C[NH+]3CCCCCC3)CC2)ccn1 ZINC000683779797 546093160 /nfs/dbraw/zinc/09/31/60/546093160.db2.gz UBOJQJVPYSLAQF-UHFFFAOYSA-N 1 3 302.466 2.752 20 0 DFADHO CC(C)(CC[NH+]1CCCCCC1)NC[C@H]1CNc2ccnn2C1 ZINC000684199282 546171145 /nfs/dbraw/zinc/17/11/45/546171145.db2.gz ZXHGDHHPDOVBDT-MRXNPFEDSA-N 1 3 319.497 2.559 20 0 DFADHO CC(C)(CCN1CCCCCC1)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000684199282 546171147 /nfs/dbraw/zinc/17/11/47/546171147.db2.gz ZXHGDHHPDOVBDT-MRXNPFEDSA-N 1 3 319.497 2.559 20 0 DFADHO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCCN(C)C)C1 ZINC000684373431 546203393 /nfs/dbraw/zinc/20/33/93/546203393.db2.gz ZNCKTMSEZOIAAP-IAGOWNOFSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@@H](Cc1ccsc1)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457666 546353299 /nfs/dbraw/zinc/35/32/99/546353299.db2.gz ITIZIPHRHDRGDR-MAUKXSAKSA-N 1 3 321.534 2.779 20 0 DFADHO C[C@@H](Cc1ccsc1)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457666 546353303 /nfs/dbraw/zinc/35/33/03/546353303.db2.gz ITIZIPHRHDRGDR-MAUKXSAKSA-N 1 3 321.534 2.779 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@H]2CCC23CCCC3)ccn1 ZINC000189186232 282110224 /nfs/dbraw/zinc/11/02/24/282110224.db2.gz PCYDTGYCVRKVFM-INIZCTEOSA-N 1 3 303.450 2.834 20 0 DFADHO CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000365782534 282118286 /nfs/dbraw/zinc/11/82/86/282118286.db2.gz DJGCLECLOXWVNY-AEFFLSMTSA-N 1 3 321.509 2.584 20 0 DFADHO CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000365782534 282118287 /nfs/dbraw/zinc/11/82/87/282118287.db2.gz DJGCLECLOXWVNY-AEFFLSMTSA-N 1 3 321.509 2.584 20 0 DFADHO COC(=O)c1coc([C@H](C)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000278536944 214219924 /nfs/dbraw/zinc/21/99/24/214219924.db2.gz URBKIFHACYXLOF-LBPRGKRZSA-N 1 3 306.406 2.591 20 0 DFADHO COc1cc(OC)c(CNCC2(C)CC[NH+](C)CC2)c(OC)c1 ZINC000324525897 231224114 /nfs/dbraw/zinc/22/41/14/231224114.db2.gz RQSUXENOQZNLJZ-UHFFFAOYSA-N 1 3 322.449 2.534 20 0 DFADHO Cc1nccn1[C@H]1CCCN([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906432 398349939 /nfs/dbraw/zinc/34/99/39/398349939.db2.gz OFYKQWSGQXNCAV-RDJZCZTQSA-N 1 3 318.465 2.620 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](N)CC(C)C)c1ccccc1 ZINC000236883696 398364541 /nfs/dbraw/zinc/36/45/41/398364541.db2.gz HUSXUXHDHHJDGQ-IAGOWNOFSA-N 1 3 305.466 2.559 20 0 DFADHO CC(C)C[C@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000236652412 398362622 /nfs/dbraw/zinc/36/26/22/398362622.db2.gz GYZOALGXEDMZMG-WMZOPIPTSA-N 1 3 323.525 2.863 20 0 DFADHO CC(C)C[C@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000236652412 398362625 /nfs/dbraw/zinc/36/26/25/398362625.db2.gz GYZOALGXEDMZMG-WMZOPIPTSA-N 1 3 323.525 2.863 20 0 DFADHO CC(C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028802 185279012 /nfs/dbraw/zinc/27/90/12/185279012.db2.gz XULDSGRRSOFICZ-MRXNPFEDSA-N 1 3 317.477 2.646 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038841 185279335 /nfs/dbraw/zinc/27/93/35/185279335.db2.gz WNXWYJGKHKPEDM-CRAIPNDOSA-N 1 3 317.477 2.646 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCC(C)CC2)[C@@H]1SC ZINC000459375910 299090204 /nfs/dbraw/zinc/09/02/04/299090204.db2.gz KTWMZDCVETYJKH-OAGGEKHMSA-N 1 3 300.512 2.607 20 0 DFADHO COc1cc(CN2CCC(CC[NH+](C)C)CC2)cc(OC)c1 ZINC000092381106 185314981 /nfs/dbraw/zinc/31/49/81/185314981.db2.gz PIZXRCYMBWCQKS-UHFFFAOYSA-N 1 3 306.450 2.868 20 0 DFADHO C[C@H]1CCC[C@@H](C[NH2+]C2CCN(C3CCN(C)CC3)CC2)C1 ZINC000092564485 185326186 /nfs/dbraw/zinc/32/61/86/185326186.db2.gz VYUAFTVUVMYTEV-DLBZAZTESA-N 1 3 307.526 2.961 20 0 DFADHO CCCC[NH+]1CCC(N[C@@H]2C[C@H](OCC)[C@H]2SC)CC1 ZINC000459387945 299093379 /nfs/dbraw/zinc/09/33/79/299093379.db2.gz DKXVNNXYNURYDV-PMPSAXMXSA-N 1 3 300.512 2.750 20 0 DFADHO Cc1ncccc1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587499 185327439 /nfs/dbraw/zinc/32/74/39/185327439.db2.gz IMFVKMCAJCJATN-IYBDPMFKSA-N 1 3 317.477 2.711 20 0 DFADHO Cc1ncccc1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587499 185327440 /nfs/dbraw/zinc/32/74/40/185327440.db2.gz IMFVKMCAJCJATN-IYBDPMFKSA-N 1 3 317.477 2.711 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@@H](C)C[NH+]2CCCCC2)[C@@H]1SC ZINC000459387744 299093466 /nfs/dbraw/zinc/09/34/66/299093466.db2.gz JWVUMFRUWRDQNS-QXSJWSMHSA-N 1 3 300.512 2.607 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN2CCCCC2)[C@@H]1SC ZINC000459387744 299093469 /nfs/dbraw/zinc/09/34/69/299093469.db2.gz JWVUMFRUWRDQNS-QXSJWSMHSA-N 1 3 300.512 2.607 20 0 DFADHO COCCc1nc(C)c([C@@H](C)[NH2+]CC(C)(C)CN(C)C)s1 ZINC000092719509 185336130 /nfs/dbraw/zinc/33/61/30/185336130.db2.gz UWRWKDLXVRWXOW-GFCCVEGCSA-N 1 3 313.511 2.879 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167622093 197711134 /nfs/dbraw/zinc/71/11/34/197711134.db2.gz RVRVPGHSBWWTGY-DZKIICNBSA-N 1 3 305.466 2.605 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc3c[nH]nc32)C[C@H](C)O1 ZINC000084018226 398392272 /nfs/dbraw/zinc/39/22/72/398392272.db2.gz DOKDOSSPWWDSFO-GJZGRUSLSA-N 1 3 316.449 2.542 20 0 DFADHO CCc1ccc2[nH+]ccc(NC[C@@H](C)N3CCN(C)CC3)c2c1 ZINC000295629325 529731966 /nfs/dbraw/zinc/73/19/66/529731966.db2.gz XHPNWZIUIQIQGK-OAHLLOKOSA-N 1 3 312.461 2.845 20 0 DFADHO CN(C)c1ccccc1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297624320 529794798 /nfs/dbraw/zinc/79/47/98/529794798.db2.gz LNYAQJLIZLAGAR-UHFFFAOYSA-N 1 3 310.445 2.906 20 0 DFADHO COC(=O)c1cccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433657 398425366 /nfs/dbraw/zinc/42/53/66/398425366.db2.gz OBQCAKCFLCEMDL-MSOLQXFVSA-N 1 3 316.445 2.685 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C2CC3(CCC3)C2)C1 ZINC000459456303 299111513 /nfs/dbraw/zinc/11/15/13/299111513.db2.gz DVZSNEKPFNCKCJ-GOSISDBHSA-N 1 3 300.446 2.676 20 0 DFADHO C[C@H]([NH2+]C1CCN(C2CC2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000459466175 299114179 /nfs/dbraw/zinc/11/41/79/299114179.db2.gz OSCLWSOCZSIQLX-JKSUJKDBSA-N 1 3 305.510 2.856 20 0 DFADHO COCCCOc1cccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000090718704 398491895 /nfs/dbraw/zinc/49/18/95/398491895.db2.gz HVPFQBWEKOSUAF-QAPCUYQASA-N 1 3 306.450 2.532 20 0 DFADHO COCCCOc1cccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000090718704 398491898 /nfs/dbraw/zinc/49/18/98/398491898.db2.gz HVPFQBWEKOSUAF-QAPCUYQASA-N 1 3 306.450 2.532 20 0 DFADHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000302907809 398496277 /nfs/dbraw/zinc/49/62/77/398496277.db2.gz YAPGZLFIAGRORG-UXHICEINSA-N 1 3 315.505 2.971 20 0 DFADHO CC(C)[N@H+]1CC[C@H](CN[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000302907809 398496280 /nfs/dbraw/zinc/49/62/80/398496280.db2.gz YAPGZLFIAGRORG-UXHICEINSA-N 1 3 315.505 2.971 20 0 DFADHO C[NH+](C)CCCOc1cnccc1CNC1CC2(CCC2)C1 ZINC000459564253 299134623 /nfs/dbraw/zinc/13/46/23/299134623.db2.gz FGZHHPIMUWQVME-UHFFFAOYSA-N 1 3 303.450 2.834 20 0 DFADHO COCCC[NH+]1CCC(N[C@H](c2cccnc2)C(C)C)CC1 ZINC000091317670 398526750 /nfs/dbraw/zinc/52/67/50/398526750.db2.gz MDAXLUVENTWSRJ-SFHVURJKSA-N 1 3 305.466 2.869 20 0 DFADHO C[C@]1(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CCCCN1 ZINC000317388420 398535562 /nfs/dbraw/zinc/53/55/62/398535562.db2.gz GJWWOSVBDOIIMY-GOSISDBHSA-N 1 3 301.434 2.753 20 0 DFADHO CC[C@H]1CC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414310350 295787118 /nfs/dbraw/zinc/78/71/18/295787118.db2.gz SWCLKPIHPBLPCL-ZWKOTPCHSA-N 1 3 302.462 2.792 20 0 DFADHO C[NH+](C)CCOc1ccc(CNCc2n[nH]c3ccccc23)cc1 ZINC000589641567 398567114 /nfs/dbraw/zinc/56/71/14/398567114.db2.gz ORROJJCRRLHDLS-UHFFFAOYSA-N 1 3 324.428 2.793 20 0 DFADHO COC[C@H]1CCCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681084717 545593802 /nfs/dbraw/zinc/59/38/02/545593802.db2.gz ZYIMINQXGJOIKV-SFHVURJKSA-N 1 3 320.477 2.876 20 0 DFADHO CC(C)[C@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414324235 295788259 /nfs/dbraw/zinc/78/82/59/295788259.db2.gz KJOBSVPBVDCWEY-HNNXBMFYSA-N 1 3 317.477 2.518 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)[C@H]1SC ZINC000597257794 398609121 /nfs/dbraw/zinc/60/91/21/398609121.db2.gz WIEGFJVCRHDQRD-YYIAUSFCSA-N 1 3 312.523 2.607 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)[C@H]1SC ZINC000597257794 398609123 /nfs/dbraw/zinc/60/91/23/398609123.db2.gz WIEGFJVCRHDQRD-YYIAUSFCSA-N 1 3 312.523 2.607 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)[C@H]1SC ZINC000597257794 398609128 /nfs/dbraw/zinc/60/91/28/398609128.db2.gz WIEGFJVCRHDQRD-YYIAUSFCSA-N 1 3 312.523 2.607 20 0 DFADHO C[NH2+][C@@H](C)Cc1noc(-c2cccc(CN3CCCCC3)c2)n1 ZINC000414645017 295810973 /nfs/dbraw/zinc/81/09/73/295810973.db2.gz NBVSHMWGAFFUJI-AWEZNQCLSA-N 1 3 314.433 2.873 20 0 DFADHO Cc1ccc(CCC[NH+]2CCC(N(C)CCCO)CC2)cc1 ZINC000181887111 186215319 /nfs/dbraw/zinc/21/53/19/186215319.db2.gz MBFGCFIMYWQNJR-UHFFFAOYSA-N 1 3 304.478 2.706 20 0 DFADHO CC(=O)Nc1ccc([C@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000181925800 186219735 /nfs/dbraw/zinc/21/97/35/186219735.db2.gz OHHCTWDUWFQODT-ZDUSSCGKSA-N 1 3 301.434 2.922 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000590657619 398646348 /nfs/dbraw/zinc/64/63/48/398646348.db2.gz MAOGEZGJDMFPOK-NRSFXHEJSA-N 1 3 322.493 2.961 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000590657619 398646350 /nfs/dbraw/zinc/64/63/50/398646350.db2.gz MAOGEZGJDMFPOK-NRSFXHEJSA-N 1 3 322.493 2.961 20 0 DFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000237507278 186299122 /nfs/dbraw/zinc/29/91/22/186299122.db2.gz SYCSQSIQBXWUIU-HYVNUMGLSA-N 1 3 317.477 2.529 20 0 DFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000237507278 186299123 /nfs/dbraw/zinc/29/91/23/186299123.db2.gz SYCSQSIQBXWUIU-HYVNUMGLSA-N 1 3 317.477 2.529 20 0 DFADHO COc1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)ccc1C ZINC000194267997 186275227 /nfs/dbraw/zinc/27/52/27/186275227.db2.gz UGFZDEHGIABEMH-IRXDYDNUSA-N 1 3 320.477 2.983 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000266860481 186362897 /nfs/dbraw/zinc/36/28/97/186362897.db2.gz KVPCYMUMGMWYNV-GOSISDBHSA-N 1 3 324.472 2.945 20 0 DFADHO COC(=O)C1(CN2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000590685710 398651518 /nfs/dbraw/zinc/65/15/18/398651518.db2.gz DULYKBBITJYMCM-UHFFFAOYSA-N 1 3 308.466 2.528 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CN)cc1OC ZINC000414805958 295820939 /nfs/dbraw/zinc/82/09/39/295820939.db2.gz PZXKBVKRMHGPMF-NUEKZKHPSA-N 1 3 306.450 2.742 20 0 DFADHO C[C@@H]([NH3+])CCNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414817838 295821563 /nfs/dbraw/zinc/82/15/63/295821563.db2.gz BWSYBUGXMIFJKU-LLVKDONJSA-N 1 3 312.339 2.718 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000459734877 299176508 /nfs/dbraw/zinc/17/65/08/299176508.db2.gz OSTPDSOJVIMWLK-ZDUSSCGKSA-N 1 3 324.852 2.933 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000459734877 299176511 /nfs/dbraw/zinc/17/65/11/299176511.db2.gz OSTPDSOJVIMWLK-ZDUSSCGKSA-N 1 3 324.852 2.933 20 0 DFADHO Cc1nc(COc2ccc(CNCC[C@@H](C)[NH3+])cc2)cs1 ZINC000414818043 295821535 /nfs/dbraw/zinc/82/15/35/295821535.db2.gz CNUOLLGXILWIOQ-GFCCVEGCSA-N 1 3 305.447 2.857 20 0 DFADHO Cc1cc(Br)c(CNCC[C@@H]2CC[NH2+]C2)s1 ZINC000414826534 295822561 /nfs/dbraw/zinc/82/25/61/295822561.db2.gz FPSCYLLHSXUBGN-JTQLQIEISA-N 1 3 303.269 2.908 20 0 DFADHO Cn1c(CNCC[C@@H]2CCC[NH2+]C2)nc2ccc(Cl)cc21 ZINC000414847991 295825925 /nfs/dbraw/zinc/82/59/25/295825925.db2.gz WNRGRZXFIAYCNR-LBPRGKRZSA-N 1 3 306.841 2.706 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414857132 295827120 /nfs/dbraw/zinc/82/71/20/295827120.db2.gz OYFITJZTHZDWGO-HZSPNIEDSA-N 1 3 307.413 2.521 20 0 DFADHO C[C@@H](CC[NH3+])NCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414894397 295831440 /nfs/dbraw/zinc/83/14/40/295831440.db2.gz LHGKWEXUPYNDDY-HNNXBMFYSA-N 1 3 321.428 2.761 20 0 DFADHO COc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000414906942 295833089 /nfs/dbraw/zinc/83/30/89/295833089.db2.gz ABXNECBSJUTFJY-NWDGAFQWSA-N 1 3 313.239 2.817 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC[C@H]2NCCc3ccccc32)CC1 ZINC000414959507 295840788 /nfs/dbraw/zinc/84/07/88/295840788.db2.gz SGUYHSKKNUPBHD-GOSISDBHSA-N 1 3 301.478 2.726 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2ccnn2-c2ccc(F)cc2)C1 ZINC000459772690 299188162 /nfs/dbraw/zinc/18/81/62/299188162.db2.gz IREZBOYSHSDVAB-HNNXBMFYSA-N 1 3 316.424 2.833 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2ccnn2-c2ccc(F)cc2)C1 ZINC000459772690 299188168 /nfs/dbraw/zinc/18/81/68/299188168.db2.gz IREZBOYSHSDVAB-HNNXBMFYSA-N 1 3 316.424 2.833 20 0 DFADHO COc1cccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1OC(C)C ZINC000415015743 295847625 /nfs/dbraw/zinc/84/76/25/295847625.db2.gz ZDXYHPJRDFPXMJ-DLBZAZTESA-N 1 3 318.461 2.960 20 0 DFADHO OC1(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CCN(Cc2ccccc2)CC1 ZINC000397519578 398681175 /nfs/dbraw/zinc/68/11/75/398681175.db2.gz UHZJGBACSLESOX-IPMKNSEASA-N 1 3 314.473 2.792 20 0 DFADHO [NH3+]C[C@H]1CC[C@H](NCc2cc(F)ccc2Br)C1 ZINC000415037895 295850006 /nfs/dbraw/zinc/85/00/06/295850006.db2.gz MTRGKJUQEQTUGM-CABZTGNLSA-N 1 3 301.203 2.805 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)[C@H](C)C1 ZINC000173364151 198207204 /nfs/dbraw/zinc/20/72/04/198207204.db2.gz PKXHOLKDMFCHDO-RHSMWYFYSA-N 1 3 316.424 2.831 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459794325 299195059 /nfs/dbraw/zinc/19/50/59/299195059.db2.gz UJIVXNOIPUBDPA-ZDUSSCGKSA-N 1 3 324.852 2.948 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459794325 299195061 /nfs/dbraw/zinc/19/50/61/299195061.db2.gz UJIVXNOIPUBDPA-ZDUSSCGKSA-N 1 3 324.852 2.948 20 0 DFADHO CCOC(=O)CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000173490323 198220470 /nfs/dbraw/zinc/22/04/70/198220470.db2.gz SWKCTRSRFGAUIX-SJLPKXTDSA-N 1 3 318.461 2.925 20 0 DFADHO CCOC(=O)CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000173490323 198220471 /nfs/dbraw/zinc/22/04/71/198220471.db2.gz SWKCTRSRFGAUIX-SJLPKXTDSA-N 1 3 318.461 2.925 20 0 DFADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000173620805 198233264 /nfs/dbraw/zinc/23/32/64/198233264.db2.gz VODBHLKGGBXHDV-HZPDHXFCSA-N 1 3 317.477 2.715 20 0 DFADHO CC(C)[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000415072868 295854834 /nfs/dbraw/zinc/85/48/34/295854834.db2.gz AFSNEYHBLPBFBD-YEWWUXTCSA-N 1 3 304.434 2.743 20 0 DFADHO C[C@H](NC1CCN(Cc2ccc(F)c(F)c2)CC1)[C@@H]1CC[NH2+]C1 ZINC000415096321 295857419 /nfs/dbraw/zinc/85/74/19/295857419.db2.gz BCUKMLXXQQMNFW-DZGCQCFKSA-N 1 3 323.431 2.517 20 0 DFADHO Cc1ccc(F)cc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415100558 295858180 /nfs/dbraw/zinc/85/81/80/295858180.db2.gz APNVTUUADNJSPC-QZTJIDSGSA-N 1 3 306.425 2.852 20 0 DFADHO CCOc1cccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415102497 295858350 /nfs/dbraw/zinc/85/83/50/295858350.db2.gz CKCHYPAKRSEWEJ-OALUTQOASA-N 1 3 318.461 2.804 20 0 DFADHO CCOc1ccccc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415100773 295858017 /nfs/dbraw/zinc/85/80/17/295858017.db2.gz AKSUYLICRNFXEZ-PKOBYXMFSA-N 1 3 318.461 2.804 20 0 DFADHO C[C@@H](NCC1CC[NH2+]CC1)c1nc(-c2cccc(F)c2)no1 ZINC000415116103 295860348 /nfs/dbraw/zinc/86/03/48/295860348.db2.gz YZMSRKYQWONLRK-LLVKDONJSA-N 1 3 304.369 2.526 20 0 DFADHO Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000073895165 398707745 /nfs/dbraw/zinc/70/77/45/398707745.db2.gz GKKWGAUDBTYUCC-GOSISDBHSA-N 1 3 320.477 2.539 20 0 DFADHO Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000073895165 398707746 /nfs/dbraw/zinc/70/77/46/398707746.db2.gz GKKWGAUDBTYUCC-GOSISDBHSA-N 1 3 320.477 2.539 20 0 DFADHO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000236772203 202001851 /nfs/dbraw/zinc/00/18/51/202001851.db2.gz OJQYBYDLEFJGJC-CRAIPNDOSA-N 1 3 317.477 2.559 20 0 DFADHO CN(CCN1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000131393986 283083441 /nfs/dbraw/zinc/08/34/41/283083441.db2.gz KBFFDUOBYISVBM-UHFFFAOYSA-N 1 3 301.478 2.931 20 0 DFADHO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415898674 295899707 /nfs/dbraw/zinc/89/97/07/295899707.db2.gz RCOAPWOPPDGCQH-UHFFFAOYSA-N 1 3 318.465 2.574 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)CN1CCCCC1 ZINC000415946143 295905439 /nfs/dbraw/zinc/90/54/39/295905439.db2.gz STFXCAULEZJVBE-OAHLLOKOSA-N 1 3 318.465 2.792 20 0 DFADHO CC(C)CN(C(=O)C1CC[NH+](C(C)C)CC1)C1CCN(C)CC1 ZINC000074676870 398759218 /nfs/dbraw/zinc/75/92/18/398759218.db2.gz UVXWEUOIBYOBHS-UHFFFAOYSA-N 1 3 323.525 2.686 20 0 DFADHO CCc1cccc(C)c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119673193 398777843 /nfs/dbraw/zinc/77/78/43/398777843.db2.gz SQWWOMKKRQNRLN-UHFFFAOYSA-N 1 3 320.481 2.515 20 0 DFADHO CCC[C@H]1[C@H](C)CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000464729276 299246672 /nfs/dbraw/zinc/24/66/72/299246672.db2.gz DIJMYPDNDKXXPU-AEFFLSMTSA-N 1 3 323.525 2.876 20 0 DFADHO CCCc1ccc(C[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000591716967 398782492 /nfs/dbraw/zinc/78/24/92/398782492.db2.gz CEXZZMGAEBHUAH-UHFFFAOYSA-N 1 3 303.494 2.756 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000236976996 202105556 /nfs/dbraw/zinc/10/55/56/202105556.db2.gz FJQIGXUFUHENTL-PBHICJAKSA-N 1 3 321.465 2.719 20 0 DFADHO C[NH+](C)[C@@H](CNC(=O)C[C@H](N)c1ccccc1)C1CCCCC1 ZINC000237138858 202163083 /nfs/dbraw/zinc/16/30/83/202163083.db2.gz QMPUFTRTQIHCBF-ROUUACIJSA-N 1 3 317.477 2.703 20 0 DFADHO CCCn1nc(C)c(CNCC2CC[NH+](C3CC3)CC2)c1C ZINC000446885681 297289463 /nfs/dbraw/zinc/28/94/63/297289463.db2.gz BDODOMDZTXKXJR-UHFFFAOYSA-N 1 3 304.482 2.874 20 0 DFADHO CC[NH+]1CCC(N[C@H]2CCCc3ccc(C(=O)OC)cc32)CC1 ZINC000594491148 398808106 /nfs/dbraw/zinc/80/81/06/398808106.db2.gz WZMWGUCVBFHUJT-SFHVURJKSA-N 1 3 316.445 2.925 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000594510517 398812777 /nfs/dbraw/zinc/81/27/77/398812777.db2.gz AFNFLQNAHQSKRZ-OAGGEKHMSA-N 1 3 310.482 2.817 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000594510517 398812782 /nfs/dbraw/zinc/81/27/82/398812782.db2.gz AFNFLQNAHQSKRZ-OAGGEKHMSA-N 1 3 310.482 2.817 20 0 DFADHO C[NH+](C)CCCC1CCN(Cc2cnn3ccccc23)CC1 ZINC000179948744 199097743 /nfs/dbraw/zinc/09/77/43/199097743.db2.gz YWXWNPVXWPSDIM-UHFFFAOYSA-N 1 3 300.450 2.888 20 0 DFADHO CCC[C@@H](C)C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000180048321 199112247 /nfs/dbraw/zinc/11/22/47/199112247.db2.gz ATJFIQPOYWZWHL-OAHLLOKOSA-N 1 3 305.466 2.504 20 0 DFADHO CC(C)N1CCC([NH2+]C[C@@](C)(O)c2ccc(F)cc2F)CC1 ZINC000180458626 199161526 /nfs/dbraw/zinc/16/15/26/199161526.db2.gz JXNJIVPJOCXRPP-QGZVFWFLSA-N 1 3 312.404 2.635 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000152910045 283344568 /nfs/dbraw/zinc/34/45/68/283344568.db2.gz IXGYCONGNPNUTG-CABCVRRESA-N 1 3 323.456 2.511 20 0 DFADHO C[NH+](C)CCCC1CCN(Cc2cccc3nccn32)CC1 ZINC000180481462 199164794 /nfs/dbraw/zinc/16/47/94/199164794.db2.gz IXDVHWCGOROOCI-UHFFFAOYSA-N 1 3 300.450 2.888 20 0 DFADHO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000180998672 199238559 /nfs/dbraw/zinc/23/85/59/199238559.db2.gz XWXVHSOJQIRNNM-LSDHHAIUSA-N 1 3 305.466 2.502 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000180996250 199238783 /nfs/dbraw/zinc/23/87/83/199238783.db2.gz JJWQNOBJTIOSEJ-LPHOPBHVSA-N 1 3 300.446 2.699 20 0 DFADHO CCCCCOc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000077450349 398904263 /nfs/dbraw/zinc/90/42/63/398904263.db2.gz PILWBVIQZDSYKN-UHFFFAOYSA-N 1 3 320.477 2.802 20 0 DFADHO C[NH+]1CCC(O)(CNCc2ccccc2OC2CCCC2)CC1 ZINC000077450235 398904859 /nfs/dbraw/zinc/90/48/59/398904859.db2.gz CNFNOQDUBPDQDM-UHFFFAOYSA-N 1 3 318.461 2.554 20 0 DFADHO CN(C)[C@@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000281019008 216024940 /nfs/dbraw/zinc/02/49/40/216024940.db2.gz ZDZAGPZHVDXTEA-GOSISDBHSA-N 1 3 302.462 2.970 20 0 DFADHO CN(C)[C@@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000281019008 216024942 /nfs/dbraw/zinc/02/49/42/216024942.db2.gz ZDZAGPZHVDXTEA-GOSISDBHSA-N 1 3 302.462 2.970 20 0 DFADHO C[NH+](C)[C@@H]1CCCN(CCCc2ccc3c(c2)CCO3)CC1 ZINC000281019008 216024946 /nfs/dbraw/zinc/02/49/46/216024946.db2.gz ZDZAGPZHVDXTEA-GOSISDBHSA-N 1 3 302.462 2.970 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187281909 200088195 /nfs/dbraw/zinc/08/81/95/200088195.db2.gz JETVFMNUHRJOKG-DLBZAZTESA-N 1 3 315.461 2.558 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC)CCN1CCCCCC1 ZINC000360241640 283546801 /nfs/dbraw/zinc/54/68/01/283546801.db2.gz LZSJYDRYDKFKEG-QGZVFWFLSA-N 1 3 311.514 2.878 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000417392410 296016454 /nfs/dbraw/zinc/01/64/54/296016454.db2.gz BJJNMTBDNFIRNK-HWHMVJPJSA-N 1 3 300.446 2.685 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000417392410 296016456 /nfs/dbraw/zinc/01/64/56/296016456.db2.gz BJJNMTBDNFIRNK-HWHMVJPJSA-N 1 3 300.446 2.685 20 0 DFADHO C[C@H](CCC[NH3+])NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000417621239 296036256 /nfs/dbraw/zinc/03/62/56/296036256.db2.gz HBKKEPQTQSIEAF-HUUCEWRRSA-N 1 3 320.481 2.542 20 0 DFADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cc(Cl)cs2)CC1 ZINC000194385707 201216788 /nfs/dbraw/zinc/21/67/88/201216788.db2.gz CSJFLMPYQLKCJZ-LBPRGKRZSA-N 1 3 316.898 2.926 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000621621882 398997977 /nfs/dbraw/zinc/99/79/77/398997977.db2.gz MZIQFPLCFRLJFD-CRAIPNDOSA-N 1 3 317.477 2.706 20 0 DFADHO CCCOc1cc(CNCC2=CC[N@H+](C)CC2)ccc1OC ZINC000271844072 209261312 /nfs/dbraw/zinc/26/13/12/209261312.db2.gz RQMBRVYCKXBXRH-UHFFFAOYSA-N 1 3 304.434 2.836 20 0 DFADHO CCCOc1cc(CNCC2=CC[N@@H+](C)CC2)ccc1OC ZINC000271844072 209261314 /nfs/dbraw/zinc/26/13/14/209261314.db2.gz RQMBRVYCKXBXRH-UHFFFAOYSA-N 1 3 304.434 2.836 20 0 DFADHO CC[NH2+]CC1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000417818456 296054391 /nfs/dbraw/zinc/05/43/91/296054391.db2.gz SJFYXXWNVADGJG-KRWDZBQOSA-N 1 3 317.477 2.561 20 0 DFADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccc2c(c1)OCCCO2 ZINC000271842371 209259352 /nfs/dbraw/zinc/25/93/52/209259352.db2.gz GYERYDGLSNFVGX-CQSZACIVSA-N 1 3 302.418 2.760 20 0 DFADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccc2c(c1)OCCCO2 ZINC000271842371 209259355 /nfs/dbraw/zinc/25/93/55/209259355.db2.gz GYERYDGLSNFVGX-CQSZACIVSA-N 1 3 302.418 2.760 20 0 DFADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc2c(c1)OCCCO2 ZINC000271842371 209259357 /nfs/dbraw/zinc/25/93/57/209259357.db2.gz GYERYDGLSNFVGX-CQSZACIVSA-N 1 3 302.418 2.760 20 0 DFADHO N[C@H](CC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000417844418 296057078 /nfs/dbraw/zinc/05/70/78/296057078.db2.gz WQAJECHTNLXCKS-QZTJIDSGSA-N 1 3 311.429 2.673 20 0 DFADHO CC(C)(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H](N)c1ccccc1 ZINC000417849670 296057742 /nfs/dbraw/zinc/05/77/42/296057742.db2.gz LPONWWJZYXQXKV-BFYDXBDKSA-N 1 3 317.477 2.594 20 0 DFADHO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000249031304 283762207 /nfs/dbraw/zinc/76/22/07/283762207.db2.gz LPILFVKFZVGHBD-UWWQBHOKSA-N 1 3 306.450 2.845 20 0 DFADHO COCc1cc([C@H](C)[NH2+]CC2=CCN(C)CC2)ccc1OC ZINC000271813902 209238240 /nfs/dbraw/zinc/23/82/40/209238240.db2.gz BDBVCJZXPUAFFP-AWEZNQCLSA-N 1 3 304.434 2.754 20 0 DFADHO CN(C)CCN(CC1CCCCC1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621659327 399012830 /nfs/dbraw/zinc/01/28/30/399012830.db2.gz GYXXRHDKHRFQRK-QGZVFWFLSA-N 1 3 323.525 2.737 20 0 DFADHO c1ccc([C@H]2OCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000477925144 299364467 /nfs/dbraw/zinc/36/44/67/299364467.db2.gz HWUKPECPGOSWPY-YDZRNGNQSA-N 1 3 300.446 2.981 20 0 DFADHO c1ccc([C@H]2OCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000477925144 299364470 /nfs/dbraw/zinc/36/44/70/299364470.db2.gz HWUKPECPGOSWPY-YDZRNGNQSA-N 1 3 300.446 2.981 20 0 DFADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)CC1(C(=O)OC)CC1 ZINC000599662031 399050650 /nfs/dbraw/zinc/05/06/50/399050650.db2.gz WNIWTNSDOKSCKU-UHFFFAOYSA-N 1 3 304.434 2.523 20 0 DFADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)CC1(C(=O)OC)CC1 ZINC000599662031 399050653 /nfs/dbraw/zinc/05/06/53/399050653.db2.gz WNIWTNSDOKSCKU-UHFFFAOYSA-N 1 3 304.434 2.523 20 0 DFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000479471159 299378224 /nfs/dbraw/zinc/37/82/24/299378224.db2.gz CVMLMMXXGVWFBX-OAHLLOKOSA-N 1 3 317.477 2.551 20 0 DFADHO CC[C@H](CN1CCC[C@@H]([N@H+](C)C[C@@H](CC)OC)CC1)OC ZINC000419247563 296129961 /nfs/dbraw/zinc/12/99/61/296129961.db2.gz XFZGZFCMKDCAEY-BRWVUGGUSA-N 1 3 300.487 2.623 20 0 DFADHO CC[C@H](CN1CCC[C@@H]([N@@H+](C)C[C@@H](CC)OC)CC1)OC ZINC000419247563 296129964 /nfs/dbraw/zinc/12/99/64/296129964.db2.gz XFZGZFCMKDCAEY-BRWVUGGUSA-N 1 3 300.487 2.623 20 0 DFADHO CC[C@H](CN(C)[C@@H]1CCC[N@H+](C[C@@H](CC)OC)CC1)OC ZINC000419247563 296129965 /nfs/dbraw/zinc/12/99/65/296129965.db2.gz XFZGZFCMKDCAEY-BRWVUGGUSA-N 1 3 300.487 2.623 20 0 DFADHO CC[C@H](CN(C)[C@@H]1CCC[N@@H+](C[C@@H](CC)OC)CC1)OC ZINC000419247563 296129966 /nfs/dbraw/zinc/12/99/66/296129966.db2.gz XFZGZFCMKDCAEY-BRWVUGGUSA-N 1 3 300.487 2.623 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000261778962 203114945 /nfs/dbraw/zinc/11/49/45/203114945.db2.gz WRLHUUGZARMRAK-GDBMZVCRSA-N 1 3 306.450 2.566 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccsc1 ZINC000261874541 203141134 /nfs/dbraw/zinc/14/11/34/203141134.db2.gz YHZLOAORWGFAJJ-BMFZPTHFSA-N 1 3 323.506 2.622 20 0 DFADHO CCC[C@](C)(N)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000261977333 203164885 /nfs/dbraw/zinc/16/48/85/203164885.db2.gz QXUUAKQGTUXTIL-SFHVURJKSA-N 1 3 305.466 2.662 20 0 DFADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262148097 203211318 /nfs/dbraw/zinc/21/13/18/203211318.db2.gz QWSOIQZILSITMM-AYBZRNKSSA-N 1 3 317.477 2.673 20 0 DFADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262148097 203211321 /nfs/dbraw/zinc/21/13/21/203211321.db2.gz QWSOIQZILSITMM-AYBZRNKSSA-N 1 3 317.477 2.673 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262111959 203202113 /nfs/dbraw/zinc/20/21/13/203202113.db2.gz HCHWIHGEGBTCSE-YJBOKZPZSA-N 1 3 317.477 2.662 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262111959 203202117 /nfs/dbraw/zinc/20/21/17/203202117.db2.gz HCHWIHGEGBTCSE-YJBOKZPZSA-N 1 3 317.477 2.662 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000262447200 203297009 /nfs/dbraw/zinc/29/70/09/203297009.db2.gz PMSCOIHWBCRWCM-GOSISDBHSA-N 1 3 311.429 2.699 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cccc(OC)c2)C1 ZINC000340194241 284157766 /nfs/dbraw/zinc/15/77/66/284157766.db2.gz HPODPHLBURSQNY-GOSISDBHSA-N 1 3 306.450 2.628 20 0 DFADHO CN1CC[C@@H]([NH2+]CCN2CCCCC2)C[C@H]1c1ccccc1 ZINC000340174234 284155210 /nfs/dbraw/zinc/15/52/10/284155210.db2.gz NNKZLGCYNPMEAA-MOPGFXCFSA-N 1 3 301.478 2.897 20 0 DFADHO C[N@@H+]1CC[C@@H](NCCN2CCCCC2)C[C@H]1c1ccccc1 ZINC000340174234 284155212 /nfs/dbraw/zinc/15/52/12/284155212.db2.gz NNKZLGCYNPMEAA-MOPGFXCFSA-N 1 3 301.478 2.897 20 0 DFADHO C[N@H+]1CC[C@@H](NCCN2CCCCC2)C[C@H]1c1ccccc1 ZINC000340174234 284155215 /nfs/dbraw/zinc/15/52/15/284155215.db2.gz NNKZLGCYNPMEAA-MOPGFXCFSA-N 1 3 301.478 2.897 20 0 DFADHO CCC[C@](C)(N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000262690866 203382545 /nfs/dbraw/zinc/38/25/45/203382545.db2.gz AJWCGUWPJVKVPZ-KSSFIOAISA-N 1 3 305.466 2.750 20 0 DFADHO C[N@@H+]1CC[C@@H](NCCC(=O)NC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340293694 284169256 /nfs/dbraw/zinc/16/92/56/284169256.db2.gz UQKFAGJHGUGBHV-IAGOWNOFSA-N 1 3 317.477 2.716 20 0 DFADHO C[N@H+]1CC[C@@H](NCCC(=O)NC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340293694 284169260 /nfs/dbraw/zinc/16/92/60/284169260.db2.gz UQKFAGJHGUGBHV-IAGOWNOFSA-N 1 3 317.477 2.716 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cc[nH]c3)CC2)C[C@H](C)O1 ZINC000093844352 193317616 /nfs/dbraw/zinc/31/76/16/193317616.db2.gz GIBXYZQRPMCOEM-IYBDPMFKSA-N 1 3 305.466 2.726 20 0 DFADHO Cc1cc(NC[C@H]2CCC[NH2+]C2)c2cc(OC(F)F)ccc2n1 ZINC000420170352 296160370 /nfs/dbraw/zinc/16/03/70/296160370.db2.gz MYKODSGVKOBHIN-LBPRGKRZSA-N 1 3 321.371 2.978 20 0 DFADHO CCOc1cc2nccc(NCCCC[NH3+])c2cc1OCC ZINC000420230986 296164130 /nfs/dbraw/zinc/16/41/30/296164130.db2.gz JHZDYPNOAPPEKF-UHFFFAOYSA-N 1 3 303.406 2.605 20 0 DFADHO C[NH+](C)C/C=C/C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000264625362 204037787 /nfs/dbraw/zinc/03/77/87/204037787.db2.gz MLQYDTPSSYRIJL-JXMROGBWSA-N 1 3 301.434 2.729 20 0 DFADHO CCOc1cc2nccc(N[C@@H](C)CCC[NH3+])c2cc1OCC ZINC000420272488 296167846 /nfs/dbraw/zinc/16/78/46/296167846.db2.gz WQRAEMWLBPIJRF-ZDUSSCGKSA-N 1 3 317.433 2.993 20 0 DFADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420279928 296168643 /nfs/dbraw/zinc/16/86/43/296168643.db2.gz XTXASAQXVIHMTO-WFASDCNBSA-N 1 3 309.841 2.870 20 0 DFADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420279928 296168644 /nfs/dbraw/zinc/16/86/44/296168644.db2.gz XTXASAQXVIHMTO-WFASDCNBSA-N 1 3 309.841 2.870 20 0 DFADHO CCCN(CC[C@@H]1CC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000420293836 296170536 /nfs/dbraw/zinc/17/05/36/296170536.db2.gz ANYBLMDCZVIABX-HOTGVXAUSA-N 1 3 303.450 2.725 20 0 DFADHO Cc1ccc([C@H](C)[N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420295815 296170624 /nfs/dbraw/zinc/17/06/24/296170624.db2.gz AXCSVPKDMXPXEN-VDGAXYAQSA-N 1 3 312.457 2.919 20 0 DFADHO Cc1ccc([C@H](C)[N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420295815 296170625 /nfs/dbraw/zinc/17/06/25/296170625.db2.gz AXCSVPKDMXPXEN-VDGAXYAQSA-N 1 3 312.457 2.919 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCN)[C@@H]2CCCC[C@@H]12 ZINC000420302085 296171778 /nfs/dbraw/zinc/17/17/78/296171778.db2.gz LZPAKPHMULSZLA-SMLCLMEVSA-N 1 3 309.498 2.519 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCN)[C@@H]2CCCC[C@@H]12 ZINC000420302085 296171779 /nfs/dbraw/zinc/17/17/79/296171779.db2.gz LZPAKPHMULSZLA-SMLCLMEVSA-N 1 3 309.498 2.519 20 0 DFADHO c1nn(-c2ccccc2)c2c1CN(CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420303894 296172254 /nfs/dbraw/zinc/17/22/54/296172254.db2.gz NWAVJGNBVFBDAL-MRXNPFEDSA-N 1 3 310.445 2.620 20 0 DFADHO COc1ccc([C@H](C[NH3+])CN(C)C2Cc3ccccc3C2)cc1 ZINC000420317782 296173986 /nfs/dbraw/zinc/17/39/86/296173986.db2.gz NYOZERUZSJLECY-GOSISDBHSA-N 1 3 310.441 2.837 20 0 DFADHO COc1c(C)cnc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420319392 296174382 /nfs/dbraw/zinc/17/43/82/296174382.db2.gz ABFNLFOBIQVIBZ-JKSUJKDBSA-N 1 3 303.450 2.529 20 0 DFADHO Cc1ccc(NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000420323989 296175225 /nfs/dbraw/zinc/17/52/25/296175225.db2.gz AJMGHNLRIVZCCR-YESZJQIVSA-N 1 3 315.461 2.562 20 0 DFADHO FC(F)(F)c1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000420331617 296176400 /nfs/dbraw/zinc/17/64/00/296176400.db2.gz RAZYCSCLZNZZFB-CHWSQXEVSA-N 1 3 313.367 2.922 20 0 DFADHO FC(F)(F)c1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000420331619 296176410 /nfs/dbraw/zinc/17/64/10/296176410.db2.gz RAZYCSCLZNZZFB-OLZOCXBDSA-N 1 3 313.367 2.922 20 0 DFADHO NC[C@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CC12CCOCC2 ZINC000420336660 296177269 /nfs/dbraw/zinc/17/72/69/296177269.db2.gz WCCLJPQBJKGJPK-FUHWJXTLSA-N 1 3 300.446 2.751 20 0 DFADHO NC[C@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CC12CCOCC2 ZINC000420336660 296177270 /nfs/dbraw/zinc/17/72/70/296177270.db2.gz WCCLJPQBJKGJPK-FUHWJXTLSA-N 1 3 300.446 2.751 20 0 DFADHO Fc1cc(OCCN2CCC3(CC[NH2+]C3)CC2)ccc1Cl ZINC000420334005 296176829 /nfs/dbraw/zinc/17/68/29/296176829.db2.gz KSDPKHDZHNQZPY-UHFFFAOYSA-N 1 3 312.816 2.933 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341929118 284293787 /nfs/dbraw/zinc/29/37/87/284293787.db2.gz BGPSKMJTYNBGOS-GOSISDBHSA-N 1 3 302.462 2.745 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341929118 284293789 /nfs/dbraw/zinc/29/37/89/284293789.db2.gz BGPSKMJTYNBGOS-GOSISDBHSA-N 1 3 302.462 2.745 20 0 DFADHO Cc1cccc(NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420346945 296178281 /nfs/dbraw/zinc/17/82/81/296178281.db2.gz ZMVASFRSLAUKMK-IAGOWNOFSA-N 1 3 315.461 2.563 20 0 DFADHO Clc1ccccc1CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420354212 296178772 /nfs/dbraw/zinc/17/87/72/296178772.db2.gz CMWPJGRHTPENNC-INIZCTEOSA-N 1 3 321.896 2.847 20 0 DFADHO [NH3+]C[C@H](NCCC(=O)Nc1ccc(F)cc1)C1CCCCC1 ZINC000420357488 296179552 /nfs/dbraw/zinc/17/95/52/296179552.db2.gz DQPJQURYJFHIBU-INIZCTEOSA-N 1 3 307.413 2.652 20 0 DFADHO CCCOc1ccc(OCC[NH2+][C@H]2CCNCC2(C)C)cc1 ZINC000420361641 296179852 /nfs/dbraw/zinc/17/98/52/296179852.db2.gz MHEHRHFPAIAGFF-KRWDZBQOSA-N 1 3 306.450 2.832 20 0 DFADHO [NH3+]C[C@@H](NCCC(=O)Nc1ccccc1F)C1CCCCC1 ZINC000420368652 296181426 /nfs/dbraw/zinc/18/14/26/296181426.db2.gz NWFOKMCTHKAWRD-MRXNPFEDSA-N 1 3 307.413 2.652 20 0 DFADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)Nc1cccc(Cl)c1 ZINC000420369946 296181651 /nfs/dbraw/zinc/18/16/51/296181651.db2.gz VJRQHKNKLNYTPQ-CQSZACIVSA-N 1 3 309.841 2.646 20 0 DFADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000420369946 296181652 /nfs/dbraw/zinc/18/16/52/296181652.db2.gz VJRQHKNKLNYTPQ-CQSZACIVSA-N 1 3 309.841 2.646 20 0 DFADHO Cn1c2ccccc2nc1CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420378067 296183067 /nfs/dbraw/zinc/18/30/67/296183067.db2.gz BBWLAKZYJNYAMB-DOTOQJQBSA-N 1 3 312.461 2.580 20 0 DFADHO COc1cccc(C[N@H+](C)CCCN2CCN(C(C)C)CC2)c1 ZINC000282660294 217160365 /nfs/dbraw/zinc/16/03/65/217160365.db2.gz LUZJOFGCHMEIHY-UHFFFAOYSA-N 1 3 319.493 2.543 20 0 DFADHO COc1cccc(C[N@@H+](C)CCCN2CCN(C(C)C)CC2)c1 ZINC000282660294 217160368 /nfs/dbraw/zinc/16/03/68/217160368.db2.gz LUZJOFGCHMEIHY-UHFFFAOYSA-N 1 3 319.493 2.543 20 0 DFADHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(F)c1 ZINC000420390942 296184761 /nfs/dbraw/zinc/18/47/61/296184761.db2.gz IBDNHWMSNBMRPP-PBHICJAKSA-N 1 3 319.424 2.618 20 0 DFADHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1F ZINC000420387756 296184373 /nfs/dbraw/zinc/18/43/73/296184373.db2.gz GNMYUXHSWXWYEV-PBHICJAKSA-N 1 3 319.424 2.618 20 0 DFADHO C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCCN1CCCN(C)CC1 ZINC000282700036 217186348 /nfs/dbraw/zinc/18/63/48/217186348.db2.gz QBEICSLCTFFMSQ-INIZCTEOSA-N 1 3 323.912 2.888 20 0 DFADHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cccc(F)c1 ZINC000420390945 296185468 /nfs/dbraw/zinc/18/54/68/296185468.db2.gz IBDNHWMSNBMRPP-YOEHRIQHSA-N 1 3 319.424 2.618 20 0 DFADHO C[C@H]1CCN(CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000420395233 296185836 /nfs/dbraw/zinc/18/58/36/296185836.db2.gz DEUWYVKTZMLAOZ-QWHCGFSZSA-N 1 3 309.841 2.585 20 0 DFADHO O[C@H](CNCC(c1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000271694300 209130988 /nfs/dbraw/zinc/13/09/88/209130988.db2.gz OZSYNTACCGSHLM-HXUWFJFHSA-N 1 3 324.468 2.865 20 0 DFADHO CC(C)[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCCC1 ZINC000342501612 284346140 /nfs/dbraw/zinc/34/61/40/284346140.db2.gz WFUPPGZIBYAXPF-WFFDWFOESA-N 1 3 321.509 2.581 20 0 DFADHO CC(C)[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCCC1 ZINC000342501612 284346141 /nfs/dbraw/zinc/34/61/41/284346141.db2.gz WFUPPGZIBYAXPF-WFFDWFOESA-N 1 3 321.509 2.581 20 0 DFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000373013123 284352144 /nfs/dbraw/zinc/35/21/44/284352144.db2.gz HQSVBMCDQKYUMT-AEFFLSMTSA-N 1 3 321.509 2.584 20 0 DFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000373013123 284352148 /nfs/dbraw/zinc/35/21/48/284352148.db2.gz HQSVBMCDQKYUMT-AEFFLSMTSA-N 1 3 321.509 2.584 20 0 DFADHO CC[C@@H]1CN(C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000614329726 399208601 /nfs/dbraw/zinc/20/86/01/399208601.db2.gz GTXXPZNQTBZSLX-MRXNPFEDSA-N 1 3 309.498 2.584 20 0 DFADHO CC[C@@H]1CN(C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000614329726 399208606 /nfs/dbraw/zinc/20/86/06/399208606.db2.gz GTXXPZNQTBZSLX-MRXNPFEDSA-N 1 3 309.498 2.584 20 0 DFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282985518 217371051 /nfs/dbraw/zinc/37/10/51/217371051.db2.gz FAYHNGQEHYJLQL-NEWSRXKRSA-N 1 3 315.505 2.794 20 0 DFADHO COc1ccc([C@H](C)C[NH+]2CCC(OCCN(C)C)CC2)cc1 ZINC000342950769 284447212 /nfs/dbraw/zinc/44/72/12/284447212.db2.gz JECMZGLGEQGLSL-MRXNPFEDSA-N 1 3 320.477 2.841 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C3CCCC3)C2)CC1 ZINC000420960573 296218233 /nfs/dbraw/zinc/21/82/33/296218233.db2.gz GVBAMZMQVNHLNB-IBGZPJMESA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C3CCCC3)C2)CC1 ZINC000420960573 296218234 /nfs/dbraw/zinc/21/82/34/296218234.db2.gz GVBAMZMQVNHLNB-IBGZPJMESA-N 1 3 307.526 2.915 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000622596881 399261744 /nfs/dbraw/zinc/26/17/44/399261744.db2.gz MTVSMKZGOBDMJS-GOSISDBHSA-N 1 3 323.525 2.975 20 0 DFADHO CN(CCC1OCCCO1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000267920874 206338617 /nfs/dbraw/zinc/33/86/17/206338617.db2.gz IYOJCNMATAQNND-GOSISDBHSA-N 1 3 318.461 2.593 20 0 DFADHO CN(CCC1OCCCO1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000267920874 206338620 /nfs/dbraw/zinc/33/86/20/206338620.db2.gz IYOJCNMATAQNND-GOSISDBHSA-N 1 3 318.461 2.593 20 0 DFADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1(C)C ZINC000421346485 296246247 /nfs/dbraw/zinc/24/62/47/296246247.db2.gz YXRFCNWNAMPKMC-XOKHGSTOSA-N 1 3 303.450 2.700 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336030 399365578 /nfs/dbraw/zinc/36/55/78/399365578.db2.gz RGROPLDXIMPBSH-IAGOWNOFSA-N 1 3 307.457 2.891 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336030 399365580 /nfs/dbraw/zinc/36/55/80/399365580.db2.gz RGROPLDXIMPBSH-IAGOWNOFSA-N 1 3 307.457 2.891 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336030 399365581 /nfs/dbraw/zinc/36/55/81/399365581.db2.gz RGROPLDXIMPBSH-IAGOWNOFSA-N 1 3 307.457 2.891 20 0 DFADHO CN1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623338311 399365786 /nfs/dbraw/zinc/36/57/86/399365786.db2.gz UVTRMUKKKLVGQE-QZTJIDSGSA-N 1 3 301.478 2.723 20 0 DFADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623338311 399365788 /nfs/dbraw/zinc/36/57/88/399365788.db2.gz UVTRMUKKKLVGQE-QZTJIDSGSA-N 1 3 301.478 2.723 20 0 DFADHO C[N@H+]1CC[C@@H](N[C@@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623338311 399365792 /nfs/dbraw/zinc/36/57/92/399365792.db2.gz UVTRMUKKKLVGQE-QZTJIDSGSA-N 1 3 301.478 2.723 20 0 DFADHO C[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2ccccc21 ZINC000623347514 399367704 /nfs/dbraw/zinc/36/77/04/399367704.db2.gz CMHIFSIACOYSMF-DOTOQJQBSA-N 1 3 301.478 2.900 20 0 DFADHO C[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2ccccc21 ZINC000623347514 399367706 /nfs/dbraw/zinc/36/77/06/399367706.db2.gz CMHIFSIACOYSMF-DOTOQJQBSA-N 1 3 301.478 2.900 20 0 DFADHO C[NH+](C)C1CCC(NC(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000422012225 296290670 /nfs/dbraw/zinc/29/06/70/296290670.db2.gz VRVZWHRQQOWRPO-HTWSVDAQSA-N 1 3 321.509 2.773 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)CC1(C)C ZINC000623351624 399369598 /nfs/dbraw/zinc/36/95/98/399369598.db2.gz YGCSGDGJWIVXIR-SFHVURJKSA-N 1 3 312.461 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)CC1(C)C ZINC000623351624 399369602 /nfs/dbraw/zinc/36/96/02/399369602.db2.gz YGCSGDGJWIVXIR-SFHVURJKSA-N 1 3 312.461 2.894 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC1(C)C ZINC000623351624 399369607 /nfs/dbraw/zinc/36/96/07/399369607.db2.gz YGCSGDGJWIVXIR-SFHVURJKSA-N 1 3 312.461 2.894 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC1(C)C ZINC000623354963 399370108 /nfs/dbraw/zinc/37/01/08/399370108.db2.gz QPWGMROALOSMSD-INIZCTEOSA-N 1 3 302.466 2.644 20 0 DFADHO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cn1 ZINC000623364084 399373107 /nfs/dbraw/zinc/37/31/07/399373107.db2.gz SDRJRCSHMDLCMS-INIZCTEOSA-N 1 3 304.482 2.890 20 0 DFADHO C[C@@H](CCN(C)C)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000268862835 207031342 /nfs/dbraw/zinc/03/13/42/207031342.db2.gz CDAVGOYKEWHFMN-KRWDZBQOSA-N 1 3 303.494 2.623 20 0 DFADHO CCC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000268860842 207029397 /nfs/dbraw/zinc/02/93/97/207029397.db2.gz GCAWFHNFLGOYGH-YJBOKZPZSA-N 1 3 308.466 2.829 20 0 DFADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000268879648 207048659 /nfs/dbraw/zinc/04/86/59/207048659.db2.gz XJSLDZPYRRCMAX-WBVHZDCISA-N 1 3 306.450 2.583 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@H]1CCCCN1 ZINC000422687313 296317929 /nfs/dbraw/zinc/31/79/29/296317929.db2.gz BLSUVIORONYOGH-RTBURBONSA-N 1 3 316.493 2.556 20 0 DFADHO CC[C@@H](NC1CCN(Cc2ccncc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422687313 296317930 /nfs/dbraw/zinc/31/79/30/296317930.db2.gz BLSUVIORONYOGH-RTBURBONSA-N 1 3 316.493 2.556 20 0 DFADHO CC(C)(CN[C@@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422705520 296318888 /nfs/dbraw/zinc/31/88/88/296318888.db2.gz RTZIQLXVFQURII-GOSISDBHSA-N 1 3 301.478 2.555 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1cc(Cl)cc(Cl)c1 ZINC000422707743 296319199 /nfs/dbraw/zinc/31/91/99/296319199.db2.gz AQLZXYOJRUZQKC-NZVBXONLSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422707743 296319200 /nfs/dbraw/zinc/31/92/00/296319200.db2.gz AQLZXYOJRUZQKC-NZVBXONLSA-N 1 3 317.260 2.878 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(COC2CCOCC2)c1 ZINC000422713430 296320249 /nfs/dbraw/zinc/32/02/49/296320249.db2.gz PRCZYXUZNLTZDV-IEBWSBKVSA-N 1 3 318.461 2.599 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H](CO)c2ccc(Cl)cc2)CC1(C)C ZINC000623525249 399408315 /nfs/dbraw/zinc/40/83/15/399408315.db2.gz CTOPGBUEBVMTQB-ZBFHGGJFSA-N 1 3 310.869 2.878 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H](CO)c2ccc(Cl)cc2)CC1(C)C ZINC000623525249 399408316 /nfs/dbraw/zinc/40/83/16/399408316.db2.gz CTOPGBUEBVMTQB-ZBFHGGJFSA-N 1 3 310.869 2.878 20 0 DFADHO c1ccc([C@@H]2C[C@H]([NH2+]C3CCN(CC4CC4)CC3)CCN2)cc1 ZINC000422710606 296319843 /nfs/dbraw/zinc/31/98/43/296319843.db2.gz FDHBNONWWAPFOQ-UXHICEINSA-N 1 3 313.489 2.944 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422714454 296320688 /nfs/dbraw/zinc/32/06/88/296320688.db2.gz RARAVYOFGVOOBV-INDMIFKZSA-N 1 3 319.468 2.939 20 0 DFADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422717944 296320844 /nfs/dbraw/zinc/32/08/44/296320844.db2.gz KXEOOUDECDEVKI-KBPBESRZSA-N 1 3 324.350 2.861 20 0 DFADHO COc1ccc(CCC[NH2+][C@@H]2CCNCC[C@H]2C)cc1OC ZINC000422717864 296320871 /nfs/dbraw/zinc/32/08/71/296320871.db2.gz KSVXMNHYQDGOEZ-GDBMZVCRSA-N 1 3 306.450 2.614 20 0 DFADHO C[C@H](NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422724108 296321718 /nfs/dbraw/zinc/32/17/18/296321718.db2.gz ULLVTVUZDQNKPM-KSSFIOAISA-N 1 3 305.441 2.520 20 0 DFADHO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000602277248 399417895 /nfs/dbraw/zinc/41/78/95/399417895.db2.gz GZYCRFJZRMVDEL-RBAUTDOXSA-N 1 3 313.489 2.848 20 0 DFADHO CCC(CC)C(=O)N1CCC(N[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422724859 296322052 /nfs/dbraw/zinc/32/20/52/296322052.db2.gz WVKHVINJCXJFID-PBHICJAKSA-N 1 3 309.498 2.534 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422725316 296322233 /nfs/dbraw/zinc/32/22/33/296322233.db2.gz XWWYRGQZPGCXKS-STQMWFEESA-N 1 3 311.420 2.645 20 0 DFADHO C[C@@H]([NH2+]CCc1ccncc1)c1cccc(OCCN(C)C)c1 ZINC000268990271 207147577 /nfs/dbraw/zinc/14/75/77/207147577.db2.gz GANROHINZBUCRJ-MRXNPFEDSA-N 1 3 313.445 2.915 20 0 DFADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(NCc2cccc3[nH]ccc32)CC1 ZINC000268988913 207147782 /nfs/dbraw/zinc/14/77/82/207147782.db2.gz UWJVNLSEZFMZTH-RBUKOAKNSA-N 1 3 313.445 2.635 20 0 DFADHO COc1cc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)ccc1SC ZINC000268999126 207154990 /nfs/dbraw/zinc/15/49/90/207154990.db2.gz OSDRKFWRHASBGD-ZDUSSCGKSA-N 1 3 324.490 2.524 20 0 DFADHO CCOC(=O)CC[C@@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000611036223 399430187 /nfs/dbraw/zinc/43/01/87/399430187.db2.gz FIFILSUULAGNGS-IRXDYDNUSA-N 1 3 310.482 2.916 20 0 DFADHO CCOC(=O)CC[C@@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000611036223 399430189 /nfs/dbraw/zinc/43/01/89/399430189.db2.gz FIFILSUULAGNGS-IRXDYDNUSA-N 1 3 310.482 2.916 20 0 DFADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCCN1C ZINC000623634525 399432682 /nfs/dbraw/zinc/43/26/82/399432682.db2.gz IRLNIVXSXYIVLD-GOSISDBHSA-N 1 3 303.494 2.828 20 0 DFADHO COCCOCc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000623657041 399436638 /nfs/dbraw/zinc/43/66/38/399436638.db2.gz IPAOXGGDWNGPRL-IBGZPJMESA-N 1 3 320.477 2.671 20 0 DFADHO CN1CCCC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000623657004 399436918 /nfs/dbraw/zinc/43/69/18/399436918.db2.gz HPDLHYBJGGKQIA-AWEZNQCLSA-N 1 3 321.431 2.725 20 0 DFADHO COCCCOc1cccc(C[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000623656172 399437132 /nfs/dbraw/zinc/43/71/32/399437132.db2.gz OOCGMNQGXQDIAZ-SFHVURJKSA-N 1 3 320.477 2.923 20 0 DFADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000623656996 399437379 /nfs/dbraw/zinc/43/73/79/399437379.db2.gz HJJWGULISIOBRX-HKUYNNGSSA-N 1 3 318.461 2.676 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)CC2 ZINC000623657689 399438234 /nfs/dbraw/zinc/43/82/34/399438234.db2.gz WPCHTLDFWBTIOH-YJBOKZPZSA-N 1 3 302.462 2.874 20 0 DFADHO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000623723958 399451230 /nfs/dbraw/zinc/45/12/30/399451230.db2.gz LYFYZMDXCQCZEA-AFIMGQEJSA-N 1 3 306.450 2.529 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000269138758 207270431 /nfs/dbraw/zinc/27/04/31/207270431.db2.gz YQOYSQAYSABZDX-OALUTQOASA-N 1 3 302.462 2.916 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000422743265 296324900 /nfs/dbraw/zinc/32/49/00/296324900.db2.gz RFESQBVCXDLTJO-HOCLYGCPSA-N 1 3 304.482 2.620 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000422743265 296324901 /nfs/dbraw/zinc/32/49/01/296324901.db2.gz RFESQBVCXDLTJO-HOCLYGCPSA-N 1 3 304.482 2.620 20 0 DFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1cccc(-n2ccnc2)c1 ZINC000422747323 296325716 /nfs/dbraw/zinc/32/57/16/296325716.db2.gz PURSBJQIYBYLNM-UZLBHIALSA-N 1 3 320.440 2.920 20 0 DFADHO CC(C)[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000269230838 207352978 /nfs/dbraw/zinc/35/29/78/207352978.db2.gz IDFVLCRHLZIRFE-WMLDXEAASA-N 1 3 303.450 2.840 20 0 DFADHO CC(C)[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000269230838 207352987 /nfs/dbraw/zinc/35/29/87/207352987.db2.gz IDFVLCRHLZIRFE-WMLDXEAASA-N 1 3 303.450 2.840 20 0 DFADHO CC[C@H](N[C@@H]1CCC[C@H](C(=O)NC(C)C)C1)[C@H]1CCCC[NH2+]1 ZINC000422748544 296325777 /nfs/dbraw/zinc/32/57/77/296325777.db2.gz UZSXZBMXHNAOCJ-VVLHAWIVSA-N 1 3 309.498 2.580 20 0 DFADHO CCc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422750374 296326182 /nfs/dbraw/zinc/32/61/82/296326182.db2.gz CZCZAOSLWDBINA-IPMKNSEASA-N 1 3 302.462 2.538 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422750577 296326228 /nfs/dbraw/zinc/32/62/28/296326228.db2.gz AAYXPSMRCALANW-KYJSFNMBSA-N 1 3 305.441 2.772 20 0 DFADHO CCOc1cc(CCC[NH2+][C@@H]2CCCNCC2)ccc1OC ZINC000422751638 296326566 /nfs/dbraw/zinc/32/65/66/296326566.db2.gz GGGAURPRRQLWAQ-MRXNPFEDSA-N 1 3 306.450 2.758 20 0 DFADHO CCOc1cc(CCCN[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000422751638 296326567 /nfs/dbraw/zinc/32/65/67/296326567.db2.gz GGGAURPRRQLWAQ-MRXNPFEDSA-N 1 3 306.450 2.758 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422751976 296326585 /nfs/dbraw/zinc/32/65/85/296326585.db2.gz DJUYKKUMJZPZRA-YJBOKZPZSA-N 1 3 320.452 2.852 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NCCC[N@@H+]1CCCC[C@H]1C ZINC000422756839 296327607 /nfs/dbraw/zinc/32/76/07/296327607.db2.gz CMGAEQGCBIRUQN-CABCVRRESA-N 1 3 304.482 2.764 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NCCC[N@H+]1CCCC[C@H]1C ZINC000422756839 296327608 /nfs/dbraw/zinc/32/76/08/296327608.db2.gz CMGAEQGCBIRUQN-CABCVRRESA-N 1 3 304.482 2.764 20 0 DFADHO CCOc1ccc(CCN[C@H](C)[C@H]2CC[NH2+]C2)cc1OCC ZINC000422757084 296327791 /nfs/dbraw/zinc/32/77/91/296327791.db2.gz JKQNNSBUTJIJMY-ZBFHGGJFSA-N 1 3 306.450 2.614 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](CO)Cc1ccccc1 ZINC000422757076 296327821 /nfs/dbraw/zinc/32/78/21/296327821.db2.gz JIFAPZLNHPQODS-QRQLOZEOSA-N 1 3 304.478 2.738 20 0 DFADHO CCOc1cc(CCCN[C@H](C)[C@@H]2CC[NH2+]C2)ccc1OC ZINC000422763688 296328947 /nfs/dbraw/zinc/32/89/47/296328947.db2.gz ULLKCTWNFGKPQU-GDBMZVCRSA-N 1 3 306.450 2.614 20 0 DFADHO CC[C@H](N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422761535 296328466 /nfs/dbraw/zinc/32/84/66/296328466.db2.gz MVQDVGBLZMHTKV-QYZOEREBSA-N 1 3 301.478 2.771 20 0 DFADHO Fc1ccc(C2(C[NH2+][C@@H]3CCCNCC3)CCOCC2)cc1 ZINC000422762840 296328848 /nfs/dbraw/zinc/32/88/48/296328848.db2.gz ONBFUBFTABSKGQ-QGZVFWFLSA-N 1 3 306.425 2.606 20 0 DFADHO Fc1ccc(C2(CN[C@@H]3CCC[NH2+]CC3)CCOCC2)cc1 ZINC000422762840 296328850 /nfs/dbraw/zinc/32/88/50/296328850.db2.gz ONBFUBFTABSKGQ-QGZVFWFLSA-N 1 3 306.425 2.606 20 0 DFADHO COc1cccc(NC2CCN(C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000346827219 284955782 /nfs/dbraw/zinc/95/57/82/284955782.db2.gz HWYRXYUMYDXOKV-OAHLLOKOSA-N 1 3 303.450 2.571 20 0 DFADHO COc1ccc([C@H](CN[C@@H]2CCC[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000422767148 296329693 /nfs/dbraw/zinc/32/96/93/296329693.db2.gz YEOXJIRJTLCSJO-UHOSZYNNSA-N 1 3 317.477 2.549 20 0 DFADHO CC[C@H]([NH2+]C1CCN(c2cccc(C)n2)CC1)[C@@H]1CCCCN1 ZINC000422764756 296329226 /nfs/dbraw/zinc/32/92/26/296329226.db2.gz QFMXKJFBLGZBHB-ROUUACIJSA-N 1 3 316.493 2.869 20 0 DFADHO CC[C@H](NC1CCN(c2cccc(C)n2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422764756 296329228 /nfs/dbraw/zinc/32/92/28/296329228.db2.gz QFMXKJFBLGZBHB-ROUUACIJSA-N 1 3 316.493 2.869 20 0 DFADHO c1ccc(SCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422768743 296330090 /nfs/dbraw/zinc/33/00/90/296330090.db2.gz NZZVFJUCHAWJAP-GVDBMIGSSA-N 1 3 306.475 2.525 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](CCO)c1ccccc1 ZINC000422775590 296331008 /nfs/dbraw/zinc/33/10/08/296331008.db2.gz BYRTZMDBTFJQCF-PWIZWCRZSA-N 1 3 312.457 2.701 20 0 DFADHO COc1ccc(OCC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422778060 296331435 /nfs/dbraw/zinc/33/14/35/296331435.db2.gz AANGNHOPWNPNRG-CYBMUJFWSA-N 1 3 315.417 2.587 20 0 DFADHO Cc1cccc(O[C@H](C)CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422787997 296332984 /nfs/dbraw/zinc/33/29/84/296332984.db2.gz MVQNALJUNPITSM-OQIJWPOYSA-N 1 3 318.461 2.509 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCOCC1CCOCC1 ZINC000422791938 296333596 /nfs/dbraw/zinc/33/35/96/296333596.db2.gz WPAZGGHBLMOOMO-WMZOPIPTSA-N 1 3 312.498 2.720 20 0 DFADHO OCC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422792032 296333826 /nfs/dbraw/zinc/33/38/26/296333826.db2.gz WRTWPUABCZSJOV-AKHDSKFASA-N 1 3 302.462 2.663 20 0 DFADHO CCN(CC)[C@@H](CN[C@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000422794832 296334010 /nfs/dbraw/zinc/33/40/10/296334010.db2.gz GYVQVPZKBZWIDT-HKUYNNGSSA-N 1 3 319.493 2.810 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000269246655 207383033 /nfs/dbraw/zinc/38/30/33/207383033.db2.gz VBGZLLWFJHBSHL-CRAIPNDOSA-N 1 3 317.477 2.518 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000269246655 207383042 /nfs/dbraw/zinc/38/30/42/207383042.db2.gz VBGZLLWFJHBSHL-CRAIPNDOSA-N 1 3 317.477 2.518 20 0 DFADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422800031 296335148 /nfs/dbraw/zinc/33/51/48/296335148.db2.gz ZDZREKCNCJTOCU-HOTGVXAUSA-N 1 3 316.445 2.739 20 0 DFADHO c1ccc([C@@H]2C[C@@H]([NH2+]CCN3CCCCCC3)CCN2)cc1 ZINC000422805528 296336310 /nfs/dbraw/zinc/33/63/10/296336310.db2.gz JHWXBTQOQUXGDD-OALUTQOASA-N 1 3 301.478 2.945 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1CCc2ccccc21 ZINC000422806557 296336776 /nfs/dbraw/zinc/33/67/76/296336776.db2.gz NPXJJGFSMNPJNO-FXAWDEMLSA-N 1 3 323.484 2.987 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCOc1ccc2ccccc2c1 ZINC000422809961 296337044 /nfs/dbraw/zinc/33/70/44/296337044.db2.gz MVBFYVGZTVDHGC-ZOCIIQOWSA-N 1 3 314.429 2.561 20 0 DFADHO COc1ccc([C@@H](NCCN2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422809974 296337123 /nfs/dbraw/zinc/33/71/23/296337123.db2.gz MVYFKFQJRKJEOM-RBUKOAKNSA-N 1 3 317.477 2.564 20 0 DFADHO CN(C)c1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])c2ccccc2n1 ZINC000422806475 296336574 /nfs/dbraw/zinc/33/65/74/296336574.db2.gz KXXUEJFGRACZAV-WMLDXEAASA-N 1 3 312.461 2.908 20 0 DFADHO CN(C)c1cc(C[NH2+][C@@H]2CCCC[C@H]2CN)c2ccccc2n1 ZINC000422806475 296336575 /nfs/dbraw/zinc/33/65/75/296336575.db2.gz KXXUEJFGRACZAV-WMLDXEAASA-N 1 3 312.461 2.908 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000422814511 296337851 /nfs/dbraw/zinc/33/78/51/296337851.db2.gz VFZBGHGTTVAEEM-MWDXBVQZSA-N 1 3 319.493 2.511 20 0 DFADHO C[C@H](NCCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422817739 296338653 /nfs/dbraw/zinc/33/86/53/296338653.db2.gz IDSXOGLIBYEXIP-ZFWWWQNUSA-N 1 3 321.431 2.771 20 0 DFADHO C[NH+](C)CCOCCN[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000623967538 399507099 /nfs/dbraw/zinc/50/70/99/399507099.db2.gz AOTAGAIVUZGGAN-HNNXBMFYSA-N 1 3 300.805 2.634 20 0 DFADHO CC(C)CC[NH+]1CCC(CN[C@@H](C)c2cnccc2N)CC1 ZINC000422830840 296341079 /nfs/dbraw/zinc/34/10/79/296341079.db2.gz DEFJOLYONUZQPR-HNNXBMFYSA-N 1 3 304.482 2.903 20 0 DFADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)OCO2 ZINC000422828093 296340310 /nfs/dbraw/zinc/34/03/10/296340310.db2.gz SSUOCXSIKUPDKC-YIONKMFJSA-N 1 3 302.418 2.566 20 0 DFADHO [NH3+]C1CCC(NCc2nccn2CCCc2ccccc2)CC1 ZINC000422828751 296340597 /nfs/dbraw/zinc/34/05/97/296340597.db2.gz GRTZUUXEJAQCCI-UHFFFAOYSA-N 1 3 312.461 2.875 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422833735 296341673 /nfs/dbraw/zinc/34/16/73/296341673.db2.gz MUVUISYXLVYQJV-OKZBNKHCSA-N 1 3 302.462 2.711 20 0 DFADHO N[C@H]1CCCCC[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422844132 296343467 /nfs/dbraw/zinc/34/34/67/296343467.db2.gz KXKNIORKAKQINU-VQTJNVASSA-N 1 3 315.505 2.943 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422848149 296344176 /nfs/dbraw/zinc/34/41/76/296344176.db2.gz SQFPUSWSCDIVJK-BRWVUGGUSA-N 1 3 307.869 2.946 20 0 DFADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422848149 296344177 /nfs/dbraw/zinc/34/41/77/296344177.db2.gz SQFPUSWSCDIVJK-BRWVUGGUSA-N 1 3 307.869 2.946 20 0 DFADHO COc1ccccc1N1CC[C@@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422853313 296345389 /nfs/dbraw/zinc/34/53/89/296345389.db2.gz RXRSKQPKNHGYEB-YESZJQIVSA-N 1 3 317.477 2.642 20 0 DFADHO Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)C[C@H](C)N)cc2)n1 ZINC000422861645 296346543 /nfs/dbraw/zinc/34/65/43/296346543.db2.gz MUIIMJUJUJDGSB-KBPBESRZSA-N 1 3 300.450 2.747 20 0 DFADHO Cc1cc(C)n(-c2ccc(CCN[C@@H](C)C[C@H](C)[NH3+])cc2)n1 ZINC000422861645 296346545 /nfs/dbraw/zinc/34/65/45/296346545.db2.gz MUIIMJUJUJDGSB-KBPBESRZSA-N 1 3 300.450 2.747 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422863934 296346906 /nfs/dbraw/zinc/34/69/06/296346906.db2.gz MCTSAUGTYSONJZ-HEHGZKQESA-N 1 3 309.404 2.651 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422863934 296346908 /nfs/dbraw/zinc/34/69/08/296346908.db2.gz MCTSAUGTYSONJZ-HEHGZKQESA-N 1 3 309.404 2.651 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000422865553 296346959 /nfs/dbraw/zinc/34/69/59/296346959.db2.gz YMNFWCDNVMJKJL-WDYCEAGBSA-N 1 3 301.478 2.551 20 0 DFADHO COc1cc2[nH]c(CCC[NH2+][C@H](C)C[C@@H](C)N)cc2c(OC)c1 ZINC000422866775 296347063 /nfs/dbraw/zinc/34/70/63/296347063.db2.gz RBNYMFHVSQXQHE-CHWSQXEVSA-N 1 3 319.449 2.833 20 0 DFADHO C[C@@H]1CCCN(CC[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000422860043 296346261 /nfs/dbraw/zinc/34/62/61/296346261.db2.gz KYPYJLGANPPQPC-NEWSRXKRSA-N 1 3 301.478 2.801 20 0 DFADHO C[C@@H]1CCCN(CC[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)C1 ZINC000422860042 296346274 /nfs/dbraw/zinc/34/62/74/296346274.db2.gz KYPYJLGANPPQPC-BHIYHBOVSA-N 1 3 301.478 2.801 20 0 DFADHO C[C@H](N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000422872821 296348142 /nfs/dbraw/zinc/34/81/42/296348142.db2.gz ITQQVDPBRSXMMU-PBWTXFEYSA-N 1 3 301.478 2.627 20 0 DFADHO Cc1cc(C)n(-c2ccc(CCN[C@H](C)[C@H]3CC[NH2+]C3)cc2)n1 ZINC000422867670 296347275 /nfs/dbraw/zinc/34/72/75/296347275.db2.gz STXYMACRUAWEBG-AEFFLSMTSA-N 1 3 312.461 2.619 20 0 DFADHO Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)c(N2CCOCC2)c1 ZINC000422867734 296347423 /nfs/dbraw/zinc/34/74/23/296347423.db2.gz SSEHSYCCFSRASU-QZTJIDSGSA-N 1 3 317.477 2.581 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCN(C)CC(F)(F)F ZINC000422868602 296347447 /nfs/dbraw/zinc/34/74/47/296347447.db2.gz VPQNBNLTKLEMAD-ZIAGYGMSSA-N 1 3 309.420 2.771 20 0 DFADHO COCc1cccc(OCC2(C[N@@H+]3C[C@@H](N)C[C@H]3C)CCC2)c1 ZINC000631860929 399511587 /nfs/dbraw/zinc/51/15/87/399511587.db2.gz ROSKPQRGWIAEBU-WBVHZDCISA-N 1 3 318.461 2.804 20 0 DFADHO COCc1cccc(OCC2(C[N@H+]3C[C@@H](N)C[C@H]3C)CCC2)c1 ZINC000631860929 399511592 /nfs/dbraw/zinc/51/15/92/399511592.db2.gz ROSKPQRGWIAEBU-WBVHZDCISA-N 1 3 318.461 2.804 20 0 DFADHO COc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])c(C(F)(F)F)c1 ZINC000422877211 296349180 /nfs/dbraw/zinc/34/91/80/296349180.db2.gz HJGAFPUSVRTDBH-HZMBPMFUSA-N 1 3 302.340 2.931 20 0 DFADHO CCOc1ccc(C2(C[NH2+][C@@H](C)C[C@@H](C)N)CCOCC2)cc1 ZINC000422874540 296348522 /nfs/dbraw/zinc/34/85/22/296348522.db2.gz AIJHRXYXVIVHST-CVEARBPZSA-N 1 3 320.477 2.849 20 0 DFADHO CCOc1ccc(C2(CN[C@@H](C)C[C@@H](C)[NH3+])CCOCC2)cc1 ZINC000422874540 296348523 /nfs/dbraw/zinc/34/85/23/296348523.db2.gz AIJHRXYXVIVHST-CVEARBPZSA-N 1 3 320.477 2.849 20 0 DFADHO CCN(CCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000422874770 296348684 /nfs/dbraw/zinc/34/86/84/296348684.db2.gz BBGCMODYNUBBAU-RBUKOAKNSA-N 1 3 317.477 2.562 20 0 DFADHO C[C@@H]1CCCC[C@H]1C[N@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000377633102 296350018 /nfs/dbraw/zinc/35/00/18/296350018.db2.gz UVFHYBGRLHPFGT-AOIWGVFYSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCCC[C@H]1C[N@@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000377633102 296350020 /nfs/dbraw/zinc/35/00/20/296350020.db2.gz UVFHYBGRLHPFGT-AOIWGVFYSA-N 1 3 307.526 2.913 20 0 DFADHO COc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000422886073 296350582 /nfs/dbraw/zinc/35/05/82/296350582.db2.gz ZZKVJXKPEXNGHN-ZJUUUORDSA-N 1 3 301.228 2.673 20 0 DFADHO C[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1cnccc1N ZINC000422882335 296349808 /nfs/dbraw/zinc/34/98/08/296349808.db2.gz ZYEYLDOBORHEFY-YQQAZPJKSA-N 1 3 310.445 2.808 20 0 DFADHO Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCOCC1 ZINC000422882261 296349845 /nfs/dbraw/zinc/34/98/45/296349845.db2.gz RRZKAWBYDRRIMM-SJLPKXTDSA-N 1 3 302.462 2.760 20 0 DFADHO Cc1ccccc1C1(C[NH2+][C@H]2CCC[C@@H]2CN)CCOCC1 ZINC000422882259 296349893 /nfs/dbraw/zinc/34/98/93/296349893.db2.gz RRZKAWBYDRRIMM-AEFFLSMTSA-N 1 3 302.462 2.760 20 0 DFADHO CC1CCN(c2ccc(CN[C@@H]3CCC[C@H]3C[NH3+])cn2)CC1 ZINC000422886951 296350933 /nfs/dbraw/zinc/35/09/33/296350933.db2.gz AENJUKGZJKSHJP-DLBZAZTESA-N 1 3 302.466 2.535 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(N2CCCCCC2)nc1 ZINC000422888210 296350958 /nfs/dbraw/zinc/35/09/58/296350958.db2.gz CCWLAKLLQNCIDW-SJORKVTESA-N 1 3 302.466 2.679 20 0 DFADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnccc1N ZINC000422887713 296350852 /nfs/dbraw/zinc/35/08/52/296350852.db2.gz YZVXWQDCEBHGHZ-OAGGEKHMSA-N 1 3 304.482 2.903 20 0 DFADHO COc1ccc(COCCC[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000422902923 296353329 /nfs/dbraw/zinc/35/33/29/296353329.db2.gz FBJJHJSCNQDVEV-FUHWJXTLSA-N 1 3 306.450 2.709 20 0 DFADHO COc1ccc(COCCC[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000422902924 296353356 /nfs/dbraw/zinc/35/33/56/296353356.db2.gz FBJJHJSCNQDVEV-SJLPKXTDSA-N 1 3 306.450 2.709 20 0 DFADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422897491 296352529 /nfs/dbraw/zinc/35/25/29/296352529.db2.gz JWVSVJLGUZJGLD-KZNAEPCWSA-N 1 3 318.436 2.604 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@H]1CCCCN1 ZINC000422896801 296352538 /nfs/dbraw/zinc/35/25/38/296352538.db2.gz IPCWRHBIKMLARH-RTBURBONSA-N 1 3 316.493 2.556 20 0 DFADHO CC[C@@H](NC1CCN(Cc2ccccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422896801 296352539 /nfs/dbraw/zinc/35/25/39/296352539.db2.gz IPCWRHBIKMLARH-RTBURBONSA-N 1 3 316.493 2.556 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903270 296353859 /nfs/dbraw/zinc/35/38/59/296353859.db2.gz FHHWGINRXFXTSJ-SUNYJGFJSA-N 1 3 323.431 2.646 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903270 296353860 /nfs/dbraw/zinc/35/38/60/296353860.db2.gz FHHWGINRXFXTSJ-SUNYJGFJSA-N 1 3 323.431 2.646 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422906109 296354150 /nfs/dbraw/zinc/35/41/50/296354150.db2.gz JDHJOPHWWCQBEX-ZIAGYGMSSA-N 1 3 307.507 2.932 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCCc1nc2c(s1)CCCC2 ZINC000422906109 296354152 /nfs/dbraw/zinc/35/41/52/296354152.db2.gz JDHJOPHWWCQBEX-ZIAGYGMSSA-N 1 3 307.507 2.932 20 0 DFADHO FC(F)(F)CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422917443 296355341 /nfs/dbraw/zinc/35/53/41/296355341.db2.gz DWVAUHTYWMOYPF-OCCSQVGLSA-N 1 3 300.324 2.784 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@@H]1C(C)C ZINC000422921604 296355810 /nfs/dbraw/zinc/35/58/10/296355810.db2.gz QQAVYJDDSZPWBT-DHSIGJKJSA-N 1 3 305.466 2.951 20 0 DFADHO Cc1ccoc1C(=O)NCCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422922334 296355913 /nfs/dbraw/zinc/35/59/13/296355913.db2.gz PZKLCHGMLDTOKP-JKSUJKDBSA-N 1 3 321.465 2.608 20 0 DFADHO FC(F)(F)COCCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422931090 296356782 /nfs/dbraw/zinc/35/67/82/296356782.db2.gz WXZPDLDRMUSRPT-UONOGXRCSA-N 1 3 302.340 2.648 20 0 DFADHO Cc1cccc(C)c1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422933779 296357257 /nfs/dbraw/zinc/35/72/57/296357257.db2.gz DTMRYGITYKBUMG-GUDVDZBRSA-N 1 3 302.462 2.593 20 0 DFADHO C[C@H](NCCOc1cccc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000422939232 296358170 /nfs/dbraw/zinc/35/81/70/296358170.db2.gz IABBKMYIIPZWKZ-RYUDHWBXSA-N 1 3 302.340 2.672 20 0 DFADHO Brc1ccc(OCCN[C@H]2CCC[NH2+]CC2)cc1 ZINC000422942204 296358725 /nfs/dbraw/zinc/35/87/25/296358725.db2.gz JAXXVTCWMHMBQM-ZDUSSCGKSA-N 1 3 313.239 2.560 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ccc(F)cc1 ZINC000422936045 296357690 /nfs/dbraw/zinc/35/76/90/296357690.db2.gz HTUDLOPAJOYOAJ-LBPRGKRZSA-N 1 3 303.381 2.717 20 0 DFADHO CC[C@H](N[C@@H]1CC[NH2+]CC[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000422947110 296359201 /nfs/dbraw/zinc/35/92/01/296359201.db2.gz PXKFEGHKOVBHHM-VNQPRFMTSA-N 1 3 304.434 2.887 20 0 DFADHO CCCCNC(=O)c1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422944718 296358848 /nfs/dbraw/zinc/35/88/48/296358848.db2.gz SLEXZVRKZMWEHV-ROUUACIJSA-N 1 3 317.477 2.824 20 0 DFADHO c1cc(CN2CCSCC2)cc(N[C@@H]2CCC[NH2+]CC2)c1 ZINC000422957375 296360604 /nfs/dbraw/zinc/36/06/04/296360604.db2.gz SZSJZLRIBGWZDK-MRXNPFEDSA-N 1 3 305.491 2.789 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ccc(F)c(F)c1 ZINC000422956790 296360717 /nfs/dbraw/zinc/36/07/17/296360717.db2.gz LYUMUOYCXYFMGJ-NSHDSACASA-N 1 3 321.371 2.857 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000422962624 296361679 /nfs/dbraw/zinc/36/16/79/296361679.db2.gz CXNLHWFNPGAYPP-KBAYOESNSA-N 1 3 304.478 2.766 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1ccccc1)C(C)(C)CO ZINC000422962624 296361680 /nfs/dbraw/zinc/36/16/80/296361680.db2.gz CXNLHWFNPGAYPP-KBAYOESNSA-N 1 3 304.478 2.766 20 0 DFADHO COCCNc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422968874 296362762 /nfs/dbraw/zinc/36/27/62/296362762.db2.gz SJTFKWJWFFGYRQ-IPMKNSEASA-N 1 3 317.477 2.755 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)C[C@H](C)N ZINC000422968082 296362404 /nfs/dbraw/zinc/36/24/04/296362404.db2.gz VLZRIXHXKRKNOM-LSDHHAIUSA-N 1 3 300.450 2.829 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@H](C)C[C@H](C)[NH3+] ZINC000422968082 296362405 /nfs/dbraw/zinc/36/24/05/296362405.db2.gz VLZRIXHXKRKNOM-LSDHHAIUSA-N 1 3 300.450 2.829 20 0 DFADHO CSc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)ccn1 ZINC000422986808 296364285 /nfs/dbraw/zinc/36/42/85/296364285.db2.gz HKMBQBWJYDFTMP-BBRMVZONSA-N 1 3 301.459 2.852 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000422996759 296365208 /nfs/dbraw/zinc/36/52/08/296365208.db2.gz UHVQCMDPLMECBD-ZDUSSCGKSA-N 1 3 304.482 2.762 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000422991257 296364609 /nfs/dbraw/zinc/36/46/09/296364609.db2.gz AQYDNPMOQWSQNV-DOTOQJQBSA-N 1 3 318.509 2.867 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000422991257 296364611 /nfs/dbraw/zinc/36/46/11/296364611.db2.gz AQYDNPMOQWSQNV-DOTOQJQBSA-N 1 3 318.509 2.867 20 0 DFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1(CCO)CCCCC1 ZINC000423001535 296365904 /nfs/dbraw/zinc/36/59/04/296365904.db2.gz DVJAYUCWECDAKK-AEFFLSMTSA-N 1 3 304.478 2.867 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(COCC(F)(F)F)c1 ZINC000423004405 296366099 /nfs/dbraw/zinc/36/60/99/296366099.db2.gz OXEDTOYVGZYURW-VXGBXAGGSA-N 1 3 304.356 2.981 20 0 DFADHO Fc1cccnc1OCCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422998045 296365554 /nfs/dbraw/zinc/36/55/54/296365554.db2.gz PIPNOAFIRLUOCL-RDJZCZTQSA-N 1 3 315.392 2.682 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000423008589 296367232 /nfs/dbraw/zinc/36/72/32/296367232.db2.gz AMMRMXDSJZUZBD-BFYDXBDKSA-N 1 3 305.441 2.772 20 0 DFADHO CN(Cc1ccco1)Cc1ccccc1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000423009391 296366955 /nfs/dbraw/zinc/36/69/55/296366955.db2.gz VLIDSSYPPVABKL-RTBURBONSA-N 1 3 313.445 2.881 20 0 DFADHO CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1N ZINC000423009391 296366956 /nfs/dbraw/zinc/36/69/56/296366956.db2.gz VLIDSSYPPVABKL-RTBURBONSA-N 1 3 313.445 2.881 20 0 DFADHO Cc1nn(C)c(C)c1CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423015187 296367638 /nfs/dbraw/zinc/36/76/38/296367638.db2.gz KEQNMYYOUILKHT-IPMKNSEASA-N 1 3 318.509 2.870 20 0 DFADHO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423015187 296367641 /nfs/dbraw/zinc/36/76/41/296367641.db2.gz KEQNMYYOUILKHT-IPMKNSEASA-N 1 3 318.509 2.870 20 0 DFADHO C[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])c1nc(-c2ccccc2)no1 ZINC000423014036 296367831 /nfs/dbraw/zinc/36/78/31/296367831.db2.gz NXDUQVMZOBXECP-FVQBIDKESA-N 1 3 314.433 2.947 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)c1nc(-c2ccccc2)no1 ZINC000423014036 296367832 /nfs/dbraw/zinc/36/78/32/296367832.db2.gz NXDUQVMZOBXECP-FVQBIDKESA-N 1 3 314.433 2.947 20 0 DFADHO CC(C)C[C@H](N[C@H](C)CCCC[NH3+])C(=O)Nc1nccs1 ZINC000423014135 296367865 /nfs/dbraw/zinc/36/78/65/296367865.db2.gz HJTXGXXVPBIEQO-OLZOCXBDSA-N 1 3 312.483 2.603 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2Cc3ccccc3CO2)CC1 ZINC000624054984 399536558 /nfs/dbraw/zinc/53/65/58/399536558.db2.gz STXANEZKJZMGJE-SFHVURJKSA-N 1 3 302.462 2.980 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000423017318 296368250 /nfs/dbraw/zinc/36/82/50/296368250.db2.gz OLRFADCABPRXNN-CBVHJVASSA-N 1 3 302.462 2.623 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCNCC[C@H]2C)cc1OC ZINC000423026631 296369196 /nfs/dbraw/zinc/36/91/96/296369196.db2.gz QKGFMHJBBBSMBT-UXLLHSPISA-N 1 3 320.477 2.860 20 0 DFADHO COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423025898 296369335 /nfs/dbraw/zinc/36/93/35/296369335.db2.gz PKWKVYHLLRJMAS-OAGGEKHMSA-N 1 3 306.450 2.817 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)[C@H]1CCCCN1 ZINC000423018344 296368381 /nfs/dbraw/zinc/36/83/81/296368381.db2.gz YOYLKJLXUOWGTK-YQQAZPJKSA-N 1 3 305.441 2.915 20 0 DFADHO C[C@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000423020670 296368606 /nfs/dbraw/zinc/36/86/06/296368606.db2.gz CNKPYQRBVZAKLQ-YNEHKIRRSA-N 1 3 311.832 2.645 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000423030873 296370038 /nfs/dbraw/zinc/37/00/38/296370038.db2.gz KBDRUYCQQUKJHD-HUUCEWRRSA-N 1 3 304.482 2.764 20 0 DFADHO [NH3+][C@H]1CCC[C@H]1NCCc1c[nH]c2ccc(Br)cc12 ZINC000423037679 296370694 /nfs/dbraw/zinc/37/06/94/296370694.db2.gz WOPSFTKTASGQFV-DZGCQCFKSA-N 1 3 322.250 2.942 20 0 DFADHO Cc1oc2ccccc2c1CCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423050066 296371970 /nfs/dbraw/zinc/37/19/70/296371970.db2.gz LFCVISXZNPRDMM-OAUYIBNBSA-N 1 3 302.418 2.626 20 0 DFADHO Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000423050066 296371971 /nfs/dbraw/zinc/37/19/71/296371971.db2.gz LFCVISXZNPRDMM-OAUYIBNBSA-N 1 3 302.418 2.626 20 0 DFADHO C[C@@H](CCCC[NH3+])N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000423057725 296373316 /nfs/dbraw/zinc/37/33/16/296373316.db2.gz ZUIGLKSOBGDCEP-GUYCJALGSA-N 1 3 304.413 2.756 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000423061455 296373560 /nfs/dbraw/zinc/37/35/60/296373560.db2.gz QRTKWRCJVAGRKC-RDTXWAMCSA-N 1 3 321.896 2.805 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423061455 296373561 /nfs/dbraw/zinc/37/35/61/296373561.db2.gz QRTKWRCJVAGRKC-RDTXWAMCSA-N 1 3 321.896 2.805 20 0 DFADHO CC[NH+]1CCC(NCCc2nc(-c3ccccn3)cs2)CC1 ZINC000271661268 209105240 /nfs/dbraw/zinc/10/52/40/209105240.db2.gz DJUSLARQUSETCJ-UHFFFAOYSA-N 1 3 316.474 2.822 20 0 DFADHO FC(F)(F)c1ccccc1N1CC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000423067343 296374601 /nfs/dbraw/zinc/37/46/01/296374601.db2.gz ZCEKYWPYOYERPX-CYBMUJFWSA-N 1 3 313.367 2.626 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423091316 296376956 /nfs/dbraw/zinc/37/69/56/296376956.db2.gz ZWHQEIFKDRZZSH-QFBILLFUSA-N 1 3 301.478 2.881 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423095649 296377851 /nfs/dbraw/zinc/37/78/51/296377851.db2.gz MUVAVHKRGFQHIY-LKPRIIMKSA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423095649 296377853 /nfs/dbraw/zinc/37/78/53/296377853.db2.gz MUVAVHKRGFQHIY-LKPRIIMKSA-N 1 3 308.853 2.928 20 0 DFADHO Fc1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423096472 296377913 /nfs/dbraw/zinc/37/79/13/296377913.db2.gz OXVNAFMOVOJBNV-WSIUPNEHSA-N 1 3 318.436 2.818 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000423092473 296377706 /nfs/dbraw/zinc/37/77/06/296377706.db2.gz BZKHGYQLDZFMEU-FEZYCPBGSA-N 1 3 306.425 2.804 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc2c(c1)OCCO2 ZINC000624119717 399559333 /nfs/dbraw/zinc/55/93/33/399559333.db2.gz HZKHECUYCYRDQE-CABCVRRESA-N 1 3 304.434 2.840 20 0 DFADHO C[C@H](N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)[C@H]1CC[NH2+]C1 ZINC000423109420 296379303 /nfs/dbraw/zinc/37/93/03/296379303.db2.gz NRXHGCWAWFNFEM-MWDDYTRKSA-N 1 3 310.388 2.852 20 0 DFADHO COCCCOc1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423107066 296378922 /nfs/dbraw/zinc/37/89/22/296378922.db2.gz PFDHNNJHKQNEKW-YJBOKZPZSA-N 1 3 306.450 2.580 20 0 DFADHO C[C@H](CCC[NH3+])NCc1cc(F)c(F)cc1Br ZINC000423111239 296379574 /nfs/dbraw/zinc/37/95/74/296379574.db2.gz QJGOJQIXLIFGRJ-MRVPVSSYSA-N 1 3 307.182 2.944 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000120246976 195127340 /nfs/dbraw/zinc/12/73/40/195127340.db2.gz AASAJTOLXNMLJU-HNAYVOBHSA-N 1 3 317.477 2.622 20 0 DFADHO CCCN1CCC[C@H]1C[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000423112935 296380015 /nfs/dbraw/zinc/38/00/15/296380015.db2.gz SVQCTXDVZOTIMN-GBESFXJTSA-N 1 3 301.478 2.944 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1nnc(C(C)C)s1 ZINC000423123153 296381347 /nfs/dbraw/zinc/38/13/47/296381347.db2.gz DHYIWOKVLVMNTK-NSHDSACASA-N 1 3 319.478 2.717 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@H](C)[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000423131882 296382345 /nfs/dbraw/zinc/38/23/45/296382345.db2.gz TVOFSMKCJRLXRM-SUMDDJOVSA-N 1 3 319.493 2.664 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000423124929 296381619 /nfs/dbraw/zinc/38/16/19/296381619.db2.gz NAJALRNDODCFMB-KSZLIROESA-N 1 3 305.466 2.546 20 0 DFADHO CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2N)N(C)C)cc1 ZINC000423124929 296381620 /nfs/dbraw/zinc/38/16/20/296381620.db2.gz NAJALRNDODCFMB-KSZLIROESA-N 1 3 305.466 2.546 20 0 DFADHO CCc1ccc([C@H](CN[C@@H](C)C2C[NH2+]C2)N(CC)CC)cc1 ZINC000423127195 296382027 /nfs/dbraw/zinc/38/20/27/296382027.db2.gz JQPAONCUHCSHNY-KXBFYZLASA-N 1 3 303.494 2.829 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCCc1cnc(SC2CCCC2)nc1 ZINC000423137280 296383031 /nfs/dbraw/zinc/38/30/31/296383031.db2.gz QNIXLYXPJKHOOB-OLZOCXBDSA-N 1 3 308.495 2.769 20 0 DFADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423137280 296383033 /nfs/dbraw/zinc/38/30/33/296383033.db2.gz QNIXLYXPJKHOOB-OLZOCXBDSA-N 1 3 308.495 2.769 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCCc1cnc(SC2CCCC2)nc1 ZINC000423137281 296383205 /nfs/dbraw/zinc/38/32/05/296383205.db2.gz QNIXLYXPJKHOOB-QWHCGFSZSA-N 1 3 308.495 2.769 20 0 DFADHO C[C@H](C[C@H](C)N)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423137281 296383206 /nfs/dbraw/zinc/38/32/06/296383206.db2.gz QNIXLYXPJKHOOB-QWHCGFSZSA-N 1 3 308.495 2.769 20 0 DFADHO C[C@@]1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423139005 296383321 /nfs/dbraw/zinc/38/33/21/296383321.db2.gz UUSFCPAMEGEEDC-IVDHNXQLSA-N 1 3 314.473 2.927 20 0 DFADHO C[C@H](NC[C@H]1CCN(c2ccccc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423141531 296383840 /nfs/dbraw/zinc/38/38/40/296383840.db2.gz QNDWSPFOMCIQQP-UXLLHSPISA-N 1 3 305.441 2.772 20 0 DFADHO COc1ncccc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423141809 296384007 /nfs/dbraw/zinc/38/40/07/296384007.db2.gz RWEZYPVAMYOUPQ-YESZJQIVSA-N 1 3 303.450 2.533 20 0 DFADHO C[C@@H](NCc1ccn(C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000158495350 197278884 /nfs/dbraw/zinc/27/88/84/197278884.db2.gz NGCBTOHYPDMLMW-OAHLLOKOSA-N 1 3 301.434 2.816 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423145845 296384815 /nfs/dbraw/zinc/38/48/15/296384815.db2.gz MUULHQCFUXSQBI-WVXQGFRLSA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423145845 296384816 /nfs/dbraw/zinc/38/48/16/296384816.db2.gz MUULHQCFUXSQBI-WVXQGFRLSA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000423146681 296384828 /nfs/dbraw/zinc/38/48/28/296384828.db2.gz PYBPKVBHTHJHRV-ZQEPISKBSA-N 1 3 310.388 2.684 20 0 DFADHO C[C@H](NCCc1ccc(Br)cc1Cl)C1C[NH2+]C1 ZINC000423150410 296385388 /nfs/dbraw/zinc/38/53/88/296385388.db2.gz YWCYPPILXBBHKW-VIFPVBQESA-N 1 3 317.658 2.843 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(Br)cc1Cl)C1CNC1 ZINC000423150410 296385389 /nfs/dbraw/zinc/38/53/89/296385389.db2.gz YWCYPPILXBBHKW-VIFPVBQESA-N 1 3 317.658 2.843 20 0 DFADHO CO[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)Cc1ccccc1 ZINC000423157022 296386310 /nfs/dbraw/zinc/38/63/10/296386310.db2.gz MEZOUAHLFJKKDC-KBXCAEBGSA-N 1 3 313.445 2.757 20 0 DFADHO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423169456 296387672 /nfs/dbraw/zinc/38/76/72/296387672.db2.gz JYNORXMUPCLIOE-BKTGTZMESA-N 1 3 311.429 2.812 20 0 DFADHO COc1cccc2c1C[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423173663 296388044 /nfs/dbraw/zinc/38/80/44/296388044.db2.gz ZPHBRWMIPAHEOY-MXSMSXNCSA-N 1 3 300.446 2.673 20 0 DFADHO Cc1cc2cc([C@H](C)NCCCN3CC[NH2+]CC3)oc2cc1C ZINC000423178120 296388534 /nfs/dbraw/zinc/38/85/34/296388534.db2.gz KEODRPDKKPYNNE-INIZCTEOSA-N 1 3 315.461 2.996 20 0 DFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000617011490 399573045 /nfs/dbraw/zinc/57/30/45/399573045.db2.gz GDZFNAVRBMOYQZ-NVXWUHKLSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000617011490 399573049 /nfs/dbraw/zinc/57/30/49/399573049.db2.gz GDZFNAVRBMOYQZ-NVXWUHKLSA-N 1 3 321.509 2.630 20 0 DFADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CCNCC2)c2ccccc21 ZINC000423191055 296390395 /nfs/dbraw/zinc/39/03/95/296390395.db2.gz UCUUPSGZWQZQDR-DLBZAZTESA-N 1 3 302.418 2.510 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2c(F)cccc2F)CCC1 ZINC000423195687 296391215 /nfs/dbraw/zinc/39/12/15/296391215.db2.gz YBYSBDLPSKWRKN-WOSRLPQWSA-N 1 3 324.415 2.728 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423195687 296391216 /nfs/dbraw/zinc/39/12/16/296391216.db2.gz YBYSBDLPSKWRKN-WOSRLPQWSA-N 1 3 324.415 2.728 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCNC2)c(C)c1OC ZINC000423206593 296392540 /nfs/dbraw/zinc/39/25/40/296392540.db2.gz GGCTVPZWZQQLFC-ZFWWWQNUSA-N 1 3 306.450 2.532 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423206593 296392541 /nfs/dbraw/zinc/39/25/41/296392541.db2.gz GGCTVPZWZQQLFC-ZFWWWQNUSA-N 1 3 306.450 2.532 20 0 DFADHO Cc1c([C@H](C)NC2CCC([NH3+])CC2)nnn1-c1ccc(C)cc1 ZINC000423209959 296392706 /nfs/dbraw/zinc/39/27/06/296392706.db2.gz FQXMZFQCNBFINE-JEYLPNPQSA-N 1 3 313.449 2.805 20 0 DFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000347805856 285183061 /nfs/dbraw/zinc/18/30/61/285183061.db2.gz CWHUDYNKEPVGKB-JKSUJKDBSA-N 1 3 311.514 2.589 20 0 DFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000347805856 285183066 /nfs/dbraw/zinc/18/30/66/285183066.db2.gz CWHUDYNKEPVGKB-JKSUJKDBSA-N 1 3 311.514 2.589 20 0 DFADHO CCCN(C)CC(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000347807029 285183583 /nfs/dbraw/zinc/18/35/83/285183583.db2.gz NBOMHBCZOWUPRK-SFHVURJKSA-N 1 3 319.493 2.601 20 0 DFADHO CCCN(C)CC(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000347807029 285183587 /nfs/dbraw/zinc/18/35/87/285183587.db2.gz NBOMHBCZOWUPRK-SFHVURJKSA-N 1 3 319.493 2.601 20 0 DFADHO CCN(C#N)CC[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000602812579 399586376 /nfs/dbraw/zinc/58/63/76/399586376.db2.gz TXVMLZXUKDLKBH-DZFIZOCASA-N 1 3 314.477 2.536 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@H]1NC1CCN(CCc2ccc(F)cc2)CC1 ZINC000629390893 399590959 /nfs/dbraw/zinc/59/09/59/399590959.db2.gz OSFHNVQXLVQKGF-RBUKOAKNSA-N 1 3 319.468 2.563 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423263628 296398303 /nfs/dbraw/zinc/39/83/03/296398303.db2.gz BFFXPVPQXDTUED-VYDXJSESSA-N 1 3 303.450 2.535 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423263628 296398304 /nfs/dbraw/zinc/39/83/04/296398304.db2.gz BFFXPVPQXDTUED-VYDXJSESSA-N 1 3 303.450 2.535 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2CN)c(C)c1OC ZINC000423271331 296399286 /nfs/dbraw/zinc/39/92/86/296399286.db2.gz IYJVGDOCFAJAMA-APHBMKBZSA-N 1 3 306.450 2.660 20 0 DFADHO CCO[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])[C@H]1Oc1ccccc1 ZINC000423267631 296398595 /nfs/dbraw/zinc/39/85/95/296398595.db2.gz CZCHYASZAWKCLU-IQZDNPOKSA-N 1 3 318.461 2.719 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423279979 296400373 /nfs/dbraw/zinc/40/03/73/296400373.db2.gz TWCQUQGWOARXJU-XKQJLSEDSA-N 1 3 310.869 2.875 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000423305014 296402712 /nfs/dbraw/zinc/40/27/12/296402712.db2.gz ZYCIFNDUVJUHET-KSSFIOAISA-N 1 3 311.429 2.739 20 0 DFADHO COC[C@@H](NCC1=CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423329501 296405358 /nfs/dbraw/zinc/40/53/58/296405358.db2.gz BENGYMQOUWNDMM-OAHLLOKOSA-N 1 3 314.351 2.902 20 0 DFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423335823 296405453 /nfs/dbraw/zinc/40/54/53/296405453.db2.gz XKGDGUFQMLXVRX-IAGOWNOFSA-N 1 3 317.477 2.655 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cnc3ccnn3c2)C1 ZINC000624213759 399600736 /nfs/dbraw/zinc/60/07/36/399600736.db2.gz CIYVNBPUZHELSU-HZPDHXFCSA-N 1 3 315.465 2.577 20 0 DFADHO C[C@H](CNC(=O)C(C)(C)[C@H](N)c1ccccc1)C[NH+]1CCCC1 ZINC000423336318 296406005 /nfs/dbraw/zinc/40/60/05/296406005.db2.gz GRDFMTBCRRHBTF-NVXWUHKLSA-N 1 3 317.477 2.561 20 0 DFADHO CC[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc2c(c1)OCCO2 ZINC000271652716 209096119 /nfs/dbraw/zinc/09/61/19/209096119.db2.gz IMTLVHGBLIRRND-HOTGVXAUSA-N 1 3 304.434 2.983 20 0 DFADHO Cc1cc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cs1 ZINC000423376152 296410406 /nfs/dbraw/zinc/41/04/06/296410406.db2.gz AQRJTZXHGCQUEA-YPMHNXCESA-N 1 3 321.412 2.543 20 0 DFADHO Cc1c([C@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cnn1C(C)(C)C ZINC000423422630 296415273 /nfs/dbraw/zinc/41/52/73/296415273.db2.gz BRVRELZGAXYOJV-YLQAJVPDSA-N 1 3 304.482 2.985 20 0 DFADHO OC1CC[NH+](CCCN[C@H]2CCCc3ccc(F)cc32)CC1 ZINC000305756219 285245312 /nfs/dbraw/zinc/24/53/12/285245312.db2.gz AHXSLZSAAHTDAG-SFHVURJKSA-N 1 3 306.425 2.640 20 0 DFADHO COC(=O)c1ccc([C@@H](C)N2CCC3(C2)CC[NH+](C)CC3)o1 ZINC000602877069 399611933 /nfs/dbraw/zinc/61/19/33/399611933.db2.gz LKRWGRQQBULBPP-CYBMUJFWSA-N 1 3 306.406 2.545 20 0 DFADHO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000073434122 542464381 /nfs/dbraw/zinc/46/43/81/542464381.db2.gz RPVLMJPOANSEMC-KRWDZBQOSA-N 1 3 310.401 2.649 20 0 DFADHO C[N@H+]1CCC[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000073434122 542464384 /nfs/dbraw/zinc/46/43/84/542464384.db2.gz RPVLMJPOANSEMC-KRWDZBQOSA-N 1 3 310.401 2.649 20 0 DFADHO C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423470629 296419187 /nfs/dbraw/zinc/41/91/87/296419187.db2.gz LNHLIMFUCIVFLR-AETAKHFUSA-N 1 3 306.425 2.533 20 0 DFADHO Cc1c([C@@H](C)NCCC[C@H]2CCC[NH2+]2)nnn1-c1ccccc1 ZINC000423481902 296420797 /nfs/dbraw/zinc/42/07/97/296420797.db2.gz OQYLMMGYIYYMPR-ZBFHGGJFSA-N 1 3 313.449 2.759 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(F)c(CN(C)C)c1 ZINC000120898570 195259823 /nfs/dbraw/zinc/25/98/23/195259823.db2.gz JBSALKWBDHBDMB-QWQRMKEZSA-N 1 3 307.457 2.706 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(F)c(CN(C)C)c1 ZINC000120898570 195259825 /nfs/dbraw/zinc/25/98/25/195259825.db2.gz JBSALKWBDHBDMB-QWQRMKEZSA-N 1 3 307.457 2.706 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000120898570 195259827 /nfs/dbraw/zinc/25/98/27/195259827.db2.gz JBSALKWBDHBDMB-QWQRMKEZSA-N 1 3 307.457 2.706 20 0 DFADHO Cc1cnccc1OC1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000289475541 221001763 /nfs/dbraw/zinc/00/17/63/221001763.db2.gz XKTRDQYEGAQKST-INIZCTEOSA-N 1 3 303.450 2.718 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@H](C)C1 ZINC000289688266 221155219 /nfs/dbraw/zinc/15/52/19/221155219.db2.gz IAXVINYEOAETPM-CRAIPNDOSA-N 1 3 316.493 2.810 20 0 DFADHO CC(C)[C@@H]1CN(C[C@H]2CCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000625762360 399633463 /nfs/dbraw/zinc/63/34/63/399633463.db2.gz UZMCWRKQAZVFSV-UXHICEINSA-N 1 3 315.505 2.923 20 0 DFADHO CC(C)[C@@H]1CN(C[C@H]2CCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000625762360 399633467 /nfs/dbraw/zinc/63/34/67/399633467.db2.gz UZMCWRKQAZVFSV-UXHICEINSA-N 1 3 315.505 2.923 20 0 DFADHO CCc1ncc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000084018242 542505184 /nfs/dbraw/zinc/50/51/84/542505184.db2.gz BKWSZZXUKKCNQB-OKILXGFUSA-N 1 3 311.495 2.685 20 0 DFADHO CN1CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000289830431 221254025 /nfs/dbraw/zinc/25/40/25/221254025.db2.gz OFLQPQYJZXICTD-IBGZPJMESA-N 1 3 315.505 2.973 20 0 DFADHO C[C@H](Cc1cccc(C(F)(F)F)c1)NCC1([NH3+])CCOCC1 ZINC000629521815 399635060 /nfs/dbraw/zinc/63/50/60/399635060.db2.gz VGAVYDVMVVHVLN-GFCCVEGCSA-N 1 3 316.367 2.734 20 0 DFADHO CCC[NH+]1CCC(NC[C@]2(CO)C[C@H]2c2ccccc2)CC1 ZINC000289855579 221271503 /nfs/dbraw/zinc/27/15/03/221271503.db2.gz QSXMSJDXBFRCAI-OALUTQOASA-N 1 3 302.462 2.617 20 0 DFADHO CCOc1ccc([C@H](C)[NH2+]CC2(N)CCOCC2)cc1OCC ZINC000629524418 399635503 /nfs/dbraw/zinc/63/55/03/399635503.db2.gz RIBCZFVZOBGICL-AWEZNQCLSA-N 1 3 322.449 2.643 20 0 DFADHO C[NH2+]CCOCCN[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000629529167 399636879 /nfs/dbraw/zinc/63/68/79/399636879.db2.gz UCVMVOUMKXXFMH-SNVBAGLBSA-N 1 3 322.783 2.828 20 0 DFADHO C[NH2+]CCOCCNC1c2ccccc2CCc2ccccc21 ZINC000629529920 399637544 /nfs/dbraw/zinc/63/75/44/399637544.db2.gz QLNJKQKDINAGTD-UHFFFAOYSA-N 1 3 310.441 2.700 20 0 DFADHO COc1ccc([C@H](NCCOCCC[NH3+])c2ccccc2)cc1 ZINC000629536421 399640387 /nfs/dbraw/zinc/64/03/87/399640387.db2.gz HKXKANAHKDGIAG-LJQANCHMSA-N 1 3 314.429 2.740 20 0 DFADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2NCCOCCC[NH3+] ZINC000629539156 399640069 /nfs/dbraw/zinc/64/00/69/399640069.db2.gz OLSDKFNKWJMQCR-HNNXBMFYSA-N 1 3 312.841 2.817 20 0 DFADHO C[C@@H](NCCOCCC[NH3+])c1cc(Br)cs1 ZINC000629541400 399641156 /nfs/dbraw/zinc/64/11/56/399641156.db2.gz ZQCNSNPBCJMZHV-SECBINFHSA-N 1 3 307.257 2.527 20 0 DFADHO C[C@@H](NCCOCCC[NH3+])c1ccc(Br)c(F)c1 ZINC000629541914 399641470 /nfs/dbraw/zinc/64/14/70/399641470.db2.gz TZENFIXVHZJNNY-SNVBAGLBSA-N 1 3 319.218 2.604 20 0 DFADHO C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@H]1CC[NH2+]C1 ZINC000629544558 399642626 /nfs/dbraw/zinc/64/26/26/399642626.db2.gz JHBFZIHPDMLJPT-SGMGOOAPSA-N 1 3 311.832 2.645 20 0 DFADHO Fc1cc(Cl)ccc1N1CC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000629547476 399643874 /nfs/dbraw/zinc/64/38/74/399643874.db2.gz TUSFMGWAWQIPLU-KGLIPLIRSA-N 1 3 311.832 2.790 20 0 DFADHO CC(C)CC[C@@H](NCc1cn([C@H]2CC[NH2+]C2)nn1)C(C)(C)C ZINC000629551833 399645818 /nfs/dbraw/zinc/64/58/18/399645818.db2.gz XGXORBRCELIFSK-JKSUJKDBSA-N 1 3 307.486 2.753 20 0 DFADHO Cc1[nH]c2c(cc(C)cc2C[NH2+]C[C@@H](O)CN2CCCC2)c1C ZINC000629559917 399648960 /nfs/dbraw/zinc/64/89/60/399648960.db2.gz UVBPCBDMFMRDQD-QGZVFWFLSA-N 1 3 315.461 2.639 20 0 DFADHO C[NH2+]CCOCCN(C)CCOc1cc(Cl)cc(Cl)c1 ZINC000629571459 399652586 /nfs/dbraw/zinc/65/25/86/399652586.db2.gz MMFBQJZPCRFSSC-UHFFFAOYSA-N 1 3 321.248 2.540 20 0 DFADHO Fc1ccc(/C=C/CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000629672635 399685081 /nfs/dbraw/zinc/68/50/81/399685081.db2.gz NQGONVVWXCXZBE-VQSDEBNRSA-N 1 3 318.436 2.929 20 0 DFADHO Cc1nn(C)c(Oc2ccccc2)c1CNCCCC[NH+](C)C ZINC000624511524 399695972 /nfs/dbraw/zinc/69/59/72/399695972.db2.gz LVOVJHJBOSDOOH-UHFFFAOYSA-N 1 3 316.449 2.952 20 0 DFADHO COC1(CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000090653294 542539020 /nfs/dbraw/zinc/53/90/20/542539020.db2.gz IEBIUKSVPKTYCC-SJLPKXTDSA-N 1 3 324.509 2.815 20 0 DFADHO COC1(C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000090653294 542539024 /nfs/dbraw/zinc/53/90/24/542539024.db2.gz IEBIUKSVPKTYCC-SJLPKXTDSA-N 1 3 324.509 2.815 20 0 DFADHO C[NH+]1CCC(N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000091412602 542540653 /nfs/dbraw/zinc/54/06/53/542540653.db2.gz WUVSUWNGZTUNND-CVEARBPZSA-N 1 3 312.816 2.993 20 0 DFADHO CC(C)CO[C@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000091964154 542543814 /nfs/dbraw/zinc/54/38/14/542543814.db2.gz AURUXRBCJZGLKE-IBGZPJMESA-N 1 3 320.477 2.874 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1CC2(C1)CCCCC2 ZINC000617502095 399718835 /nfs/dbraw/zinc/71/88/35/399718835.db2.gz BVGQFTDOXUTVOK-INIZCTEOSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1CC2(C1)CCCCC2 ZINC000617502095 399718838 /nfs/dbraw/zinc/71/88/38/399718838.db2.gz BVGQFTDOXUTVOK-INIZCTEOSA-N 1 3 323.525 2.735 20 0 DFADHO CCC[NH+]1CCC(N[C@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000119618373 542574056 /nfs/dbraw/zinc/57/40/56/542574056.db2.gz QYFFWJNLJRMYNQ-KRWDZBQOSA-N 1 3 317.477 2.738 20 0 DFADHO O[C@H](CN1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000193078307 285348864 /nfs/dbraw/zinc/34/88/64/285348864.db2.gz LCSOXZHLNXJTFG-GOSISDBHSA-N 1 3 306.425 2.667 20 0 DFADHO NC1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCCCC1 ZINC000423770460 296445718 /nfs/dbraw/zinc/44/57/18/296445718.db2.gz HNOWFJFRJWSONU-UHFFFAOYSA-N 1 3 315.461 2.925 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)c1 ZINC000423787988 296447969 /nfs/dbraw/zinc/44/79/69/296447969.db2.gz RYCXUGSOBQZRPL-QFBILLFUSA-N 1 3 315.461 2.775 20 0 DFADHO Cc1cnc(CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000348140405 285377687 /nfs/dbraw/zinc/37/76/87/285377687.db2.gz KCGICKLOCVCOBF-PKOBYXMFSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cnc(CCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000348140405 285377689 /nfs/dbraw/zinc/37/76/89/285377689.db2.gz KCGICKLOCVCOBF-PKOBYXMFSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cnc(CCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000348140405 285377690 /nfs/dbraw/zinc/37/76/90/285377690.db2.gz KCGICKLOCVCOBF-PKOBYXMFSA-N 1 3 324.472 2.828 20 0 DFADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)CC1(O)CCSCC1 ZINC000626063950 399742775 /nfs/dbraw/zinc/74/27/75/399742775.db2.gz WJNYFYPEVZADDB-UHFFFAOYSA-N 1 3 322.518 2.828 20 0 DFADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)CC1(O)CCSCC1 ZINC000626063950 399742778 /nfs/dbraw/zinc/74/27/78/399742778.db2.gz WJNYFYPEVZADDB-UHFFFAOYSA-N 1 3 322.518 2.828 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121062901 542582922 /nfs/dbraw/zinc/58/29/22/542582922.db2.gz ZLSQPKQZHMLDRA-SCLBCKFNSA-N 1 3 323.431 2.568 20 0 DFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)CN(C)C1CCC1)[NH+](C)C ZINC000629990566 399784130 /nfs/dbraw/zinc/78/41/30/399784130.db2.gz CTGCDPNDJIQARQ-HNAYVOBHSA-N 1 3 317.477 2.587 20 0 DFADHO c1nn(-c2ccccc2)cc1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166099301 542750125 /nfs/dbraw/zinc/75/01/25/542750125.db2.gz WDQYRIPPTSVXSI-PKOBYXMFSA-N 1 3 310.445 2.631 20 0 DFADHO c1nn(-c2ccccc2)cc1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166099301 542750129 /nfs/dbraw/zinc/75/01/29/542750129.db2.gz WDQYRIPPTSVXSI-PKOBYXMFSA-N 1 3 310.445 2.631 20 0 DFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N(CC)CC ZINC000348418472 285536609 /nfs/dbraw/zinc/53/66/09/285536609.db2.gz VCUSTHGKPWPUAR-IRXDYDNUSA-N 1 3 309.498 2.584 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000424434527 296509838 /nfs/dbraw/zinc/50/98/38/296509838.db2.gz KCSTVHMLMSVTEV-UHFFFAOYSA-N 1 3 318.465 2.888 20 0 DFADHO CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(CC)C1 ZINC000617928289 399837873 /nfs/dbraw/zinc/83/78/73/399837873.db2.gz MVZIYMYNEHGLQH-WMZOPIPTSA-N 1 3 321.509 2.584 20 0 DFADHO CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(CC)C1 ZINC000617928289 399837875 /nfs/dbraw/zinc/83/78/75/399837875.db2.gz MVZIYMYNEHGLQH-WMZOPIPTSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCCC1)c1cccc(OCCN(C)C)c1 ZINC000305146047 543055576 /nfs/dbraw/zinc/05/55/76/543055576.db2.gz RUHSUXYSPGBBQZ-HNNXBMFYSA-N 1 3 306.450 2.583 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000348081051 543182980 /nfs/dbraw/zinc/18/29/80/543182980.db2.gz HXWBSKQTULKZPS-PMACEKPBSA-N 1 3 313.489 2.712 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@](C)(CO)Cc1ccccc1 ZINC000357815049 543264425 /nfs/dbraw/zinc/26/44/25/543264425.db2.gz VESMVOSHUFHWQY-ZAWLATJESA-N 1 3 304.478 2.546 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@](C)(CO)Cc1ccccc1 ZINC000357815049 543264428 /nfs/dbraw/zinc/26/44/28/543264428.db2.gz VESMVOSHUFHWQY-ZAWLATJESA-N 1 3 304.478 2.546 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCN(C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381802328 543298287 /nfs/dbraw/zinc/29/82/87/543298287.db2.gz UOGITISPMPBAHK-UHOSZYNNSA-N 1 3 301.478 2.581 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CCOCC1 ZINC000165347364 145229872 /nfs/dbraw/zinc/22/98/72/145229872.db2.gz JCAVKIUHBRDUSB-PKOBYXMFSA-N 1 3 316.489 2.956 20 0 DFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000167793389 145242360 /nfs/dbraw/zinc/24/23/60/145242360.db2.gz USQZXMHOOHHBNZ-WMLDXEAASA-N 1 3 317.477 2.702 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000414907708 543327726 /nfs/dbraw/zinc/32/77/26/543327726.db2.gz AVEOUCSUZHJFGD-SOLBZPMBSA-N 1 3 304.434 2.604 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000414931381 543328366 /nfs/dbraw/zinc/32/83/66/543328366.db2.gz UMQWTCOQCJQNKH-NEPJUHHUSA-N 1 3 306.360 2.714 20 0 DFADHO NCCC[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000415091220 543328794 /nfs/dbraw/zinc/32/87/94/543328794.db2.gz PZAVSCVTVXYWHM-UHFFFAOYSA-N 1 3 316.367 2.692 20 0 DFADHO [NH3+]CCCNCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000415091220 543328798 /nfs/dbraw/zinc/32/87/98/543328798.db2.gz PZAVSCVTVXYWHM-UHFFFAOYSA-N 1 3 316.367 2.692 20 0 DFADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)NCCC2=CCCCC2)CC1 ZINC000173618530 145348728 /nfs/dbraw/zinc/34/87/28/145348728.db2.gz PBCOKAKZRCNVLM-MRXNPFEDSA-N 1 3 321.509 2.844 20 0 DFADHO C[C@@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)N1CCCCCC1 ZINC000633943355 399963222 /nfs/dbraw/zinc/96/32/22/399963222.db2.gz JMTONGAYRLWJHN-KRWDZBQOSA-N 1 3 321.509 2.728 20 0 DFADHO CCN1CCCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633953363 399965069 /nfs/dbraw/zinc/96/50/69/399965069.db2.gz GQMHMDSCDCDRHM-KRWDZBQOSA-N 1 3 321.509 2.728 20 0 DFADHO CCN(CC)CCC[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631030033 399965382 /nfs/dbraw/zinc/96/53/82/399965382.db2.gz LGVSWKGNDOBANH-UHFFFAOYSA-N 1 3 319.493 2.986 20 0 DFADHO OC1CC[NH+](CCCNCc2ccc(F)c3ccccc23)CC1 ZINC000631049444 399969211 /nfs/dbraw/zinc/96/92/11/399969211.db2.gz GRKPGVWMJSIXAS-UHFFFAOYSA-N 1 3 316.420 2.915 20 0 DFADHO O=c1ccc(C[NH2+]CC2CCN(Cc3cccs3)CC2)c[nH]1 ZINC000631056979 399971095 /nfs/dbraw/zinc/97/10/95/399971095.db2.gz PRZXRQCLXZUWEH-UHFFFAOYSA-N 1 3 317.458 2.851 20 0 DFADHO Cc1scc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c1C ZINC000631090615 399978971 /nfs/dbraw/zinc/97/89/71/399978971.db2.gz HMFAQXDSAAYSFW-SJORKVTESA-N 1 3 308.491 2.832 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000628544329 400039457 /nfs/dbraw/zinc/03/94/57/400039457.db2.gz DLXBOLRBHRAUMO-GDBMZVCRSA-N 1 3 309.498 2.676 20 0 DFADHO c1nc(C2CC2)oc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000628336627 400022503 /nfs/dbraw/zinc/02/25/03/400022503.db2.gz LKPQKFNWHKDLPS-UHFFFAOYSA-N 1 3 319.449 2.533 20 0 DFADHO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CCOCCN(C)C ZINC000631621634 400059040 /nfs/dbraw/zinc/05/90/40/400059040.db2.gz QCJXNCMHUDYEEY-OAHLLOKOSA-N 1 3 303.450 2.657 20 0 DFADHO CCOC1CC([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000631661641 400063314 /nfs/dbraw/zinc/06/33/14/400063314.db2.gz ARHBNIBJUYBVCI-BJMVHTGZSA-N 1 3 302.462 2.912 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000631661626 400063515 /nfs/dbraw/zinc/06/35/15/400063515.db2.gz AMRKBJGQDQGLIO-IZBJGVDFSA-N 1 3 315.505 2.827 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000631663347 400063609 /nfs/dbraw/zinc/06/36/09/400063609.db2.gz IOHFEHWIGLHPPR-ZHALLVOQSA-N 1 3 312.461 2.629 20 0 DFADHO C[C@H](Cn1cccn1)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631663347 400063611 /nfs/dbraw/zinc/06/36/11/400063611.db2.gz IOHFEHWIGLHPPR-ZHALLVOQSA-N 1 3 312.461 2.629 20 0 DFADHO C[C@H](Cn1cccn1)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631663347 400063613 /nfs/dbraw/zinc/06/36/13/400063613.db2.gz IOHFEHWIGLHPPR-ZHALLVOQSA-N 1 3 312.461 2.629 20 0 DFADHO OC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000631669668 400064597 /nfs/dbraw/zinc/06/45/97/400064597.db2.gz JGYNCLVJVAUWGX-OUUBHVDSSA-N 1 3 314.473 2.648 20 0 DFADHO OC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000631669672 400064705 /nfs/dbraw/zinc/06/47/05/400064705.db2.gz JGYNCLVJVAUWGX-UHZRXMQZSA-N 1 3 314.473 2.648 20 0 DFADHO c1cc(C[NH2+]C2CCN(CC3CC3)CC2)c2c(c1)COCC2 ZINC000631729017 400070667 /nfs/dbraw/zinc/07/06/67/400070667.db2.gz DHNLXKHORWHDRH-UHFFFAOYSA-N 1 3 300.446 2.723 20 0 DFADHO N[C@@H]1CCCCC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000631832549 400078516 /nfs/dbraw/zinc/07/85/16/400078516.db2.gz IFJSTAPEFULDOA-OAHLLOKOSA-N 1 3 323.868 2.550 20 0 DFADHO N[C@@H]1CCCCC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000631832549 400078517 /nfs/dbraw/zinc/07/85/17/400078517.db2.gz IFJSTAPEFULDOA-OAHLLOKOSA-N 1 3 323.868 2.550 20 0 DFADHO C[C@@H]1CN(Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC000631840903 400079016 /nfs/dbraw/zinc/07/90/16/400079016.db2.gz VZOBJEVXDROQAK-QAPCUYQASA-N 1 3 311.429 2.687 20 0 DFADHO CCN(C)c1ccc(CN2CCC(CC[NH+](C)C)CC2)cn1 ZINC000191267125 145884264 /nfs/dbraw/zinc/88/42/64/145884264.db2.gz FUJZKXPPZXNWNY-UHFFFAOYSA-N 1 3 304.482 2.701 20 0 DFADHO CCCC[C@@H](N)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000236695924 146024334 /nfs/dbraw/zinc/02/43/34/146024334.db2.gz UFJGHVSZCKCFAK-QGZVFWFLSA-N 1 3 305.466 2.614 20 0 DFADHO CCCC[C@H](N)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000236788964 146027398 /nfs/dbraw/zinc/02/73/98/146027398.db2.gz WUXZOTDWEKEAJX-ZBFHGGJFSA-N 1 3 305.466 2.750 20 0 DFADHO CC[NH+](CC)CCCN[C@H]1CCCN(Cc2ccccc2)C1 ZINC000236854440 146030241 /nfs/dbraw/zinc/03/02/41/146030241.db2.gz YUMWHAHCRHZPJT-IBGZPJMESA-N 1 3 303.494 2.973 20 0 DFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC000246754132 146155580 /nfs/dbraw/zinc/15/55/80/146155580.db2.gz GAFYSYDFSYTJDD-CVEARBPZSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC000246754132 146155581 /nfs/dbraw/zinc/15/55/81/146155581.db2.gz GAFYSYDFSYTJDD-CVEARBPZSA-N 1 3 317.477 2.598 20 0 DFADHO CSC[C@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000249459799 146198413 /nfs/dbraw/zinc/19/84/13/146198413.db2.gz OQNMWUQNELOTQO-KBAYOESNSA-N 1 3 322.518 2.695 20 0 DFADHO CSC[C@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000249459799 146198415 /nfs/dbraw/zinc/19/84/15/146198415.db2.gz OQNMWUQNELOTQO-KBAYOESNSA-N 1 3 322.518 2.695 20 0 DFADHO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(OCCN(C)C)cc1 ZINC000251515999 146213350 /nfs/dbraw/zinc/21/33/50/146213350.db2.gz CJMHACVAQXSVFY-PIKADFDJSA-N 1 3 318.461 2.845 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000252696312 146222184 /nfs/dbraw/zinc/22/21/84/146222184.db2.gz ZHOBZMBTBPTZHD-VDZJLULYSA-N 1 3 320.477 2.829 20 0 DFADHO CCN(C/C=C\C[N@H+](CC)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000255888546 146234876 /nfs/dbraw/zinc/23/48/76/146234876.db2.gz OTQQIHSDVNGQOU-SLXDBMQSSA-N 1 3 310.482 2.544 20 0 DFADHO CCN(C/C=C\C[N@@H+](CC)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000255888546 146234878 /nfs/dbraw/zinc/23/48/78/146234878.db2.gz OTQQIHSDVNGQOU-SLXDBMQSSA-N 1 3 310.482 2.544 20 0 DFADHO c1ccc(CN2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261546038 146239984 /nfs/dbraw/zinc/23/99/84/146239984.db2.gz KPSBTPMYNTZFPN-VNTMZGSJSA-N 1 3 313.489 2.771 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000261557891 146241577 /nfs/dbraw/zinc/24/15/77/146241577.db2.gz XUNGPLRXHAOUDC-FHWLQOOXSA-N 1 3 301.478 2.758 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(OC(F)(F)F)c3)C[C@@H]12 ZINC000261773621 146274892 /nfs/dbraw/zinc/27/48/92/146274892.db2.gz WFDPWWWRSOESFJ-IACUBPJLSA-N 1 3 300.324 2.754 20 0 DFADHO c1cc(CN2CCCCC2)cc(-c2noc([C@@H]3CC[NH2+]C3)n2)c1 ZINC000261878134 146292919 /nfs/dbraw/zinc/29/29/19/146292919.db2.gz VYAGZYJOCYOGGT-MRXNPFEDSA-N 1 3 312.417 2.799 20 0 DFADHO CCOc1cc(CN2CCC3(C2)CC[NH2+]CC3)ccc1OC ZINC000261992933 146319279 /nfs/dbraw/zinc/31/92/79/146319279.db2.gz KLTUWBDFKXFJCS-UHFFFAOYSA-N 1 3 304.434 2.669 20 0 DFADHO COc1ccc(CN2CCC[C@H](CC[NH3+])C2)cc1OC(F)F ZINC000262019490 146323602 /nfs/dbraw/zinc/32/36/02/146323602.db2.gz XIUUNEZMECQHDE-GFCCVEGCSA-N 1 3 314.376 2.857 20 0 DFADHO C[C@@H]([NH3+])C1CCN(CCOc2ccc(F)cc2Cl)CC1 ZINC000262184248 146340608 /nfs/dbraw/zinc/34/06/08/146340608.db2.gz XHIUJAXMRMQSCN-LLVKDONJSA-N 1 3 300.805 2.917 20 0 DFADHO C[C@H](C(=O)N(CCC[NH3+])Cc1ccccc1)N1CCCCCC1 ZINC000262495656 146364468 /nfs/dbraw/zinc/36/44/68/146364468.db2.gz WHLMISWCJVYVQY-QGZVFWFLSA-N 1 3 317.477 2.629 20 0 DFADHO CCC[C@](C)(N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000262710871 146384018 /nfs/dbraw/zinc/38/40/18/146384018.db2.gz QLDJYTXYFFMQJZ-JZXOWHBKSA-N 1 3 309.498 2.617 20 0 DFADHO CCC[C@](C)(N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000262710871 146384020 /nfs/dbraw/zinc/38/40/20/146384020.db2.gz QLDJYTXYFFMQJZ-JZXOWHBKSA-N 1 3 309.498 2.617 20 0 DFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000356881312 147838224 /nfs/dbraw/zinc/83/82/24/147838224.db2.gz HSRLOKLIBHSRJW-CVEARBPZSA-N 1 3 314.433 2.900 20 0 DFADHO COC[C@H](CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000585094107 543459967 /nfs/dbraw/zinc/45/99/67/543459967.db2.gz BJGTVVOVIZOGFM-QRQLOZEOSA-N 1 3 320.477 2.633 20 0 DFADHO COC[C@H](CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000585094107 543459969 /nfs/dbraw/zinc/45/99/69/543459969.db2.gz BJGTVVOVIZOGFM-QRQLOZEOSA-N 1 3 320.477 2.633 20 0 DFADHO Cc1cc(F)ccc1CCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425894165 296603460 /nfs/dbraw/zinc/60/34/60/296603460.db2.gz FSNJDJHEVAYCTQ-UHFFFAOYSA-N 1 3 317.408 2.921 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCc1nc(-c2ccccn2)cs1 ZINC000358048711 148225887 /nfs/dbraw/zinc/22/58/87/148225887.db2.gz PYIWJSCQHPEAFU-UONOGXRCSA-N 1 3 316.474 2.677 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCc1nc(-c2ccccn2)cs1 ZINC000358048711 148225891 /nfs/dbraw/zinc/22/58/91/148225891.db2.gz PYIWJSCQHPEAFU-UONOGXRCSA-N 1 3 316.474 2.677 20 0 DFADHO CSc1ccccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000358074442 148234287 /nfs/dbraw/zinc/23/42/87/148234287.db2.gz HBNQRFNDBZXFRO-UHFFFAOYSA-N 1 3 321.534 2.866 20 0 DFADHO C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358110568 148247926 /nfs/dbraw/zinc/24/79/26/148247926.db2.gz KNCBUJHRUZGCQF-NCOADZHNSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358110568 148247930 /nfs/dbraw/zinc/24/79/30/148247930.db2.gz KNCBUJHRUZGCQF-NCOADZHNSA-N 1 3 321.509 2.628 20 0 DFADHO Fc1ccc(F)c(CCNCc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425899429 296603917 /nfs/dbraw/zinc/60/39/17/296603917.db2.gz LECBZXKSMKSWHA-UHFFFAOYSA-N 1 3 321.371 2.752 20 0 DFADHO CC(C)[C@H]1OCCC[C@H]1CNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425902153 296603928 /nfs/dbraw/zinc/60/39/28/296603928.db2.gz RUEJRNZOZKNWFY-MAUKXSAKSA-N 1 3 321.465 2.682 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000358133763 148256203 /nfs/dbraw/zinc/25/62/03/148256203.db2.gz QRMRJJNTLJPRNV-BEFAXECRSA-N 1 3 323.440 2.711 20 0 DFADHO COc1ccc([C@@H](C)NC[C@]2(O)CC[N@H+](C)C2)c2ccccc12 ZINC000358249668 148303370 /nfs/dbraw/zinc/30/33/70/148303370.db2.gz KTXZSEIKOKBUSR-AUUYWEPGSA-N 1 3 314.429 2.566 20 0 DFADHO COc1ccc([C@@H](C)NC[C@]2(O)CC[N@@H+](C)C2)c2ccccc12 ZINC000358249668 148303371 /nfs/dbraw/zinc/30/33/71/148303371.db2.gz KTXZSEIKOKBUSR-AUUYWEPGSA-N 1 3 314.429 2.566 20 0 DFADHO C[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000358323487 148329423 /nfs/dbraw/zinc/32/94/23/148329423.db2.gz VGOYHBHWYYATTR-INIZCTEOSA-N 1 3 320.477 2.830 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCN4CCC4)[C@@H]3C2)cc1 ZINC000358572580 148389988 /nfs/dbraw/zinc/38/99/88/148389988.db2.gz QPHSBMPEPBQUTH-ZCNNSNEGSA-N 1 3 313.489 2.582 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCN4CCC4)[C@@H]3C2)cc1 ZINC000358572580 148389992 /nfs/dbraw/zinc/38/99/92/148389992.db2.gz QPHSBMPEPBQUTH-ZCNNSNEGSA-N 1 3 313.489 2.582 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCN4CCC4)[C@@H]3C2)cc1 ZINC000358572580 148389995 /nfs/dbraw/zinc/38/99/95/148389995.db2.gz QPHSBMPEPBQUTH-ZCNNSNEGSA-N 1 3 313.489 2.582 20 0 DFADHO C[C@@H](Cc1cnn(C)c1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000350477080 286047436 /nfs/dbraw/zinc/04/74/36/286047436.db2.gz LPAORZNSPYHQAM-HNNXBMFYSA-N 1 3 304.482 2.738 20 0 DFADHO C[C@@H](Cc1cnn(C)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000350477080 286047437 /nfs/dbraw/zinc/04/74/37/286047437.db2.gz LPAORZNSPYHQAM-HNNXBMFYSA-N 1 3 304.482 2.738 20 0 DFADHO CC[NH+](CC)CCCC1CCN([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000359882041 148776774 /nfs/dbraw/zinc/77/67/74/148776774.db2.gz XVEGTYNWRBYTMU-SFHVURJKSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000361482701 149126527 /nfs/dbraw/zinc/12/65/27/149126527.db2.gz YNMRYZJUIQADCK-NZSAHSFTSA-N 1 3 301.478 2.581 20 0 DFADHO Cc1cccc(CCC[NH+]2CCC(N(C)C[C@H](C)O)CC2)c1 ZINC000350836799 286094626 /nfs/dbraw/zinc/09/46/26/286094626.db2.gz OTBDXIPEFGPWNJ-KRWDZBQOSA-N 1 3 304.478 2.705 20 0 DFADHO Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CCCN2CCCC2)n1 ZINC000361946150 149262370 /nfs/dbraw/zinc/26/23/70/149262370.db2.gz SPBHKULHJIJWRG-GOSISDBHSA-N 1 3 304.482 2.840 20 0 DFADHO Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CCCN2CCCC2)n1 ZINC000361946150 149262373 /nfs/dbraw/zinc/26/23/73/149262373.db2.gz SPBHKULHJIJWRG-GOSISDBHSA-N 1 3 304.482 2.840 20 0 DFADHO CC(C)C[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC000362733346 149353272 /nfs/dbraw/zinc/35/32/72/149353272.db2.gz BLQISLSPYZGNRV-UHFFFAOYSA-N 1 3 317.477 2.598 20 0 DFADHO COc1cc(F)c([C@H](C)NCC2CC[NH+](C)CC2)cc1OC ZINC000351328188 286121406 /nfs/dbraw/zinc/12/14/06/286121406.db2.gz MTMJTPXEAKJGFV-LBPRGKRZSA-N 1 3 310.413 2.835 20 0 DFADHO COc1ccc(Cl)cc1[C@H](C)NCCOCC[NH+](C)C ZINC000351502872 286137646 /nfs/dbraw/zinc/13/76/46/286137646.db2.gz NPEOTYVIKIIDAX-LBPRGKRZSA-N 1 3 300.830 2.577 20 0 DFADHO Fc1ccc(N2CCC[N@H+](CCCN3CCCC3)CC2)cc1 ZINC000371198371 150001080 /nfs/dbraw/zinc/00/10/80/150001080.db2.gz MVCZOWMVGKMQTC-UHFFFAOYSA-N 1 3 305.441 2.824 20 0 DFADHO Fc1ccc(N2CCC[N@@H+](CCCN3CCCC3)CC2)cc1 ZINC000371198371 150001083 /nfs/dbraw/zinc/00/10/83/150001083.db2.gz MVCZOWMVGKMQTC-UHFFFAOYSA-N 1 3 305.441 2.824 20 0 DFADHO C[C@@H](CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000371425603 150045733 /nfs/dbraw/zinc/04/57/33/150045733.db2.gz TXHJRGJJUADSIC-PXNSSMCTSA-N 1 3 315.505 2.890 20 0 DFADHO C[C@@H](CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000371425603 150045735 /nfs/dbraw/zinc/04/57/35/150045735.db2.gz TXHJRGJJUADSIC-PXNSSMCTSA-N 1 3 315.505 2.890 20 0 DFADHO [NH3+]Cc1ccc(C(=O)N2CCC[C@H](NCc3ccccc3)C2)cc1 ZINC000372025331 150126658 /nfs/dbraw/zinc/12/66/58/150126658.db2.gz KGAZMHGTZBUCLV-IBGZPJMESA-N 1 3 323.440 2.540 20 0 DFADHO CSC[C@@H](O)C[N@@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000372922629 150203043 /nfs/dbraw/zinc/20/30/43/150203043.db2.gz IZPBODNYYUMFEB-ROUUACIJSA-N 1 3 322.518 2.697 20 0 DFADHO CSC[C@@H](O)C[N@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000372922629 150203044 /nfs/dbraw/zinc/20/30/44/150203044.db2.gz IZPBODNYYUMFEB-ROUUACIJSA-N 1 3 322.518 2.697 20 0 DFADHO CN1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@@H]1c1cccs1 ZINC000373182835 150242816 /nfs/dbraw/zinc/24/28/16/150242816.db2.gz MCRXJVCJYDYLGO-RNIUXLFRSA-N 1 3 319.518 2.956 20 0 DFADHO CN1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@H]1c1cccs1 ZINC000373182834 150243003 /nfs/dbraw/zinc/24/30/03/150243003.db2.gz MCRXJVCJYDYLGO-DOEQRONASA-N 1 3 319.518 2.956 20 0 DFADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(-n3cccn3)cc2)CC1 ZINC000374324140 150345534 /nfs/dbraw/zinc/34/55/34/150345534.db2.gz LFRIQKLVCVULMP-UHFFFAOYSA-N 1 3 310.445 2.933 20 0 DFADHO CN1CCC2(CCC[N@H+]2Cc2ccc(-n3cccn3)cc2)CC1 ZINC000374324140 150345537 /nfs/dbraw/zinc/34/55/37/150345537.db2.gz LFRIQKLVCVULMP-UHFFFAOYSA-N 1 3 310.445 2.933 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CCN1CCN(CCc2ccccc2)CC1 ZINC000351690752 286194747 /nfs/dbraw/zinc/19/47/47/286194747.db2.gz GCACYGSYFWJWQK-FQEVSTJZSA-N 1 3 315.505 2.721 20 0 DFADHO C[N@H+]1CCCC[C@H]1CCN1CCN(CCc2ccccc2)CC1 ZINC000351690752 286194750 /nfs/dbraw/zinc/19/47/50/286194750.db2.gz GCACYGSYFWJWQK-FQEVSTJZSA-N 1 3 315.505 2.721 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCCOc2ccccc21 ZINC000166015473 286198494 /nfs/dbraw/zinc/19/84/94/286198494.db2.gz OYDCOFAXYKVELU-DOTOQJQBSA-N 1 3 306.450 2.847 20 0 DFADHO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(CN(C)C)c1 ZINC000351790457 286219065 /nfs/dbraw/zinc/21/90/65/286219065.db2.gz PHXDYKWDBIDJFE-UHFFFAOYSA-N 1 3 317.477 2.696 20 0 DFADHO CN1CCC(C[N@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000352014657 286269958 /nfs/dbraw/zinc/26/99/58/286269958.db2.gz NTHXYUKQWJMZRO-UHFFFAOYSA-N 1 3 312.360 2.782 20 0 DFADHO CN1CCC(C[N@@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000352014657 286269959 /nfs/dbraw/zinc/26/99/59/286269959.db2.gz NTHXYUKQWJMZRO-UHFFFAOYSA-N 1 3 312.360 2.782 20 0 DFADHO CN(Cc1ccc2c(c1)OC(F)(F)O2)CC1CC[NH+](C)CC1 ZINC000352014657 286269960 /nfs/dbraw/zinc/26/99/60/286269960.db2.gz NTHXYUKQWJMZRO-UHFFFAOYSA-N 1 3 312.360 2.782 20 0 DFADHO CC1CC[NH+](CCCCNCc2cnn(CC(F)F)c2)CC1 ZINC000352131564 286300163 /nfs/dbraw/zinc/30/01/63/286300163.db2.gz STNFOWVOHLJQQR-UHFFFAOYSA-N 1 3 314.424 2.750 20 0 DFADHO CN(C)C(=O)c1cccc(CN(CCC[NH3+])CC2CCCC2)c1 ZINC000352511573 286393812 /nfs/dbraw/zinc/39/38/12/286393812.db2.gz SJZPYEKUIKHTME-UHFFFAOYSA-N 1 3 317.477 2.729 20 0 DFADHO Cc1cccc2c(NC[C@H](C)N3CCN(C)CC3)c(C)c[nH+]c12 ZINC000185293170 158052540 /nfs/dbraw/zinc/05/25/40/158052540.db2.gz HMUNUTLTVBUFIJ-INIZCTEOSA-N 1 3 312.461 2.899 20 0 DFADHO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000185633524 158066442 /nfs/dbraw/zinc/06/64/42/158066442.db2.gz BCFAUGFMCGJSPX-NXHRZFHOSA-N 1 3 317.477 2.526 20 0 DFADHO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000185633524 158066444 /nfs/dbraw/zinc/06/64/44/158066444.db2.gz BCFAUGFMCGJSPX-NXHRZFHOSA-N 1 3 317.477 2.526 20 0 DFADHO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000246836281 158101710 /nfs/dbraw/zinc/10/17/10/158101710.db2.gz BYVBIZKNLWEDHC-SJLPKXTDSA-N 1 3 319.493 2.762 20 0 DFADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)N2CCCC2)o1 ZINC000247066264 158117729 /nfs/dbraw/zinc/11/77/29/158117729.db2.gz PXRHZTPUEKLCHQ-UAGQMJEPSA-N 1 3 305.466 2.797 20 0 DFADHO CC[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)N(C)C ZINC000247130485 158119437 /nfs/dbraw/zinc/11/94/37/158119437.db2.gz ASLFRIZBISKIRY-SJLPKXTDSA-N 1 3 323.525 2.830 20 0 DFADHO CC[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)N(C)C ZINC000247130485 158119441 /nfs/dbraw/zinc/11/94/41/158119441.db2.gz ASLFRIZBISKIRY-SJLPKXTDSA-N 1 3 323.525 2.830 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)CCN1C ZINC000247971786 158154501 /nfs/dbraw/zinc/15/45/01/158154501.db2.gz JLVJKFPHXHJOFG-IXDOHACOSA-N 1 3 305.466 2.879 20 0 DFADHO COC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248198594 158163968 /nfs/dbraw/zinc/16/39/68/158163968.db2.gz XWUKTVQMEXXRHM-ZWKOTPCHSA-N 1 3 316.445 2.536 20 0 DFADHO COC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248198594 158163970 /nfs/dbraw/zinc/16/39/70/158163970.db2.gz XWUKTVQMEXXRHM-ZWKOTPCHSA-N 1 3 316.445 2.536 20 0 DFADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248829434 158202384 /nfs/dbraw/zinc/20/23/84/158202384.db2.gz KYBJVUJHGOXVDX-ZPKKHLQPSA-N 1 3 302.462 2.910 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@@H]1CCCOC1 ZINC000356870817 158317837 /nfs/dbraw/zinc/31/78/37/158317837.db2.gz OMRNPAOXSJWJTQ-SJLPKXTDSA-N 1 3 320.477 2.574 20 0 DFADHO C[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1[C@@H](C)CC[C@@H]1C ZINC000357040781 158354951 /nfs/dbraw/zinc/35/49/51/158354951.db2.gz OVNAZHATKHMDJL-ADHGMGHFSA-N 1 3 323.525 2.732 20 0 DFADHO C[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1[C@@H](C)CC[C@@H]1C ZINC000357040781 158354953 /nfs/dbraw/zinc/35/49/53/158354953.db2.gz OVNAZHATKHMDJL-ADHGMGHFSA-N 1 3 323.525 2.732 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000358383516 158374015 /nfs/dbraw/zinc/37/40/15/158374015.db2.gz JPLFFGGVGFMBON-MRXNPFEDSA-N 1 3 309.498 2.655 20 0 DFADHO C[C@H]1CN(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000358390151 158376757 /nfs/dbraw/zinc/37/67/57/158376757.db2.gz XOPLJXVGRPLAQN-QFMLELGNSA-N 1 3 313.489 2.722 20 0 DFADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000358390150 158376844 /nfs/dbraw/zinc/37/68/44/158376844.db2.gz XOPLJXVGRPLAQN-PANBIXPWSA-N 1 3 313.489 2.722 20 0 DFADHO C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000370633508 286891005 /nfs/dbraw/zinc/89/10/05/286891005.db2.gz HHUBBTRWZMMKBF-LSDHHAIUSA-N 1 3 313.555 2.665 20 0 DFADHO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000355060023 287119615 /nfs/dbraw/zinc/11/96/15/287119615.db2.gz UMWZWVUTPWMRIL-JQHSSLGASA-N 1 3 317.477 2.668 20 0 DFADHO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000355060023 287119619 /nfs/dbraw/zinc/11/96/19/287119619.db2.gz UMWZWVUTPWMRIL-JQHSSLGASA-N 1 3 317.477 2.668 20 0 DFADHO C[C@@H]1C[C@@H](NCCc2nccn2Cc2ccccc2)CC[N@@H+]1C ZINC000132129087 196228583 /nfs/dbraw/zinc/22/85/83/196228583.db2.gz QTDWSMKAISZXJQ-AEFFLSMTSA-N 1 3 312.461 2.546 20 0 DFADHO C[C@@H]1C[C@@H](NCCc2nccn2Cc2ccccc2)CC[N@H+]1C ZINC000132129087 196228585 /nfs/dbraw/zinc/22/85/85/196228585.db2.gz QTDWSMKAISZXJQ-AEFFLSMTSA-N 1 3 312.461 2.546 20 0 DFADHO C[C@@H]([NH2+]CCc1cscn1)c1ccc(OCCN(C)C)cc1 ZINC000134851493 196423770 /nfs/dbraw/zinc/42/37/70/196423770.db2.gz ANQVOUBOAIIBJY-CQSZACIVSA-N 1 3 319.474 2.977 20 0 DFADHO COCCc1ccc(OC[C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000667860208 543694139 /nfs/dbraw/zinc/69/41/39/543694139.db2.gz JETMYSCKAVGVIO-WMZOPIPTSA-N 1 3 320.477 2.574 20 0 DFADHO COCCc1ccc(OC[C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000667860208 543694142 /nfs/dbraw/zinc/69/41/42/543694142.db2.gz JETMYSCKAVGVIO-WMZOPIPTSA-N 1 3 320.477 2.574 20 0 DFADHO Cc1ccccc1CC[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000295693479 225131626 /nfs/dbraw/zinc/13/16/26/225131626.db2.gz LVLGRNLNFYVDFE-UHFFFAOYSA-N 1 3 317.521 2.885 20 0 DFADHO Cc1ccccc1CC[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000295693479 225131628 /nfs/dbraw/zinc/13/16/28/225131628.db2.gz LVLGRNLNFYVDFE-UHFFFAOYSA-N 1 3 317.521 2.885 20 0 DFADHO c1cn2c(n1)[C@@H](NCC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000295833457 225292574 /nfs/dbraw/zinc/29/25/74/225292574.db2.gz FBPYAZXXEHVGEV-SFHVURJKSA-N 1 3 310.445 2.830 20 0 DFADHO C[C@H](O)C1(NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000668700890 543848221 /nfs/dbraw/zinc/84/82/21/543848221.db2.gz NDAIKVZOUIUAPL-HOTGVXAUSA-N 1 3 302.462 2.585 20 0 DFADHO COCC1([NH2+]C2CCN(c3ccncc3)CC2)CCCCC1 ZINC000668811552 543872870 /nfs/dbraw/zinc/87/28/70/543872870.db2.gz WHTWBTVCVCVDST-UHFFFAOYSA-N 1 3 303.450 2.989 20 0 DFADHO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000672615548 544143534 /nfs/dbraw/zinc/14/35/34/544143534.db2.gz IDNJUAQLKJTLHN-DOTOQJQBSA-N 1 3 308.466 2.542 20 0 DFADHO c1ccc2c(c1)nccc2N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000297350297 227048946 /nfs/dbraw/zinc/04/89/46/227048946.db2.gz FEQXIRCOKYNVKH-UHFFFAOYSA-N 1 3 324.472 2.843 20 0 DFADHO COC1CCC(C[NH2+]Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000674237093 544225183 /nfs/dbraw/zinc/22/51/83/544225183.db2.gz DMIRWCGASRQLOE-UHFFFAOYSA-N 1 3 320.477 2.922 20 0 DFADHO CC(=O)N1CC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@H](C)C1 ZINC000675916223 544344332 /nfs/dbraw/zinc/34/43/32/544344332.db2.gz YOYALDMTSBPXIP-DNVCBOLYSA-N 1 3 321.509 2.630 20 0 DFADHO OCC1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000676351134 544372113 /nfs/dbraw/zinc/37/21/13/544372113.db2.gz XGCPXLCSUVLNIE-AYHJJNSGSA-N 1 3 300.446 2.544 20 0 DFADHO OCC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000676351134 544372115 /nfs/dbraw/zinc/37/21/15/544372115.db2.gz XGCPXLCSUVLNIE-AYHJJNSGSA-N 1 3 300.446 2.544 20 0 DFADHO CCO[C@H]1CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000676414148 544376040 /nfs/dbraw/zinc/37/60/40/544376040.db2.gz PFDQGNNNTIEXCW-SFHVURJKSA-N 1 3 306.450 2.628 20 0 DFADHO CCC1(O)CCC([NH2+]Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000678498025 544683692 /nfs/dbraw/zinc/68/36/92/544683692.db2.gz COGDAVAYLAIILT-UHFFFAOYSA-N 1 3 320.477 2.800 20 0 DFADHO CO[C@H](C)C[N@H+](Cc1ccc(OCCN(C)C)cc1)C(C)C ZINC000678277549 544641213 /nfs/dbraw/zinc/64/12/13/544641213.db2.gz WZQSAHCBJVBZCJ-MRXNPFEDSA-N 1 3 308.466 2.872 20 0 DFADHO CO[C@H](C)C[N@@H+](Cc1ccc(OCCN(C)C)cc1)C(C)C ZINC000678277549 544641216 /nfs/dbraw/zinc/64/12/16/544641216.db2.gz WZQSAHCBJVBZCJ-MRXNPFEDSA-N 1 3 308.466 2.872 20 0 DFADHO C[NH+]1CCC(C)(CNCc2ncccc2C(F)(F)F)CC1 ZINC000679484722 544859504 /nfs/dbraw/zinc/85/95/04/544859504.db2.gz VLLMLKZSJUDQRO-UHFFFAOYSA-N 1 3 301.356 2.922 20 0 DFADHO CO[C@@H]1CCCN(CC[C@H](C)[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953996 544933106 /nfs/dbraw/zinc/93/31/06/544933106.db2.gz OBHIYUBYBUGDBY-KSZLIROESA-N 1 3 312.498 2.767 20 0 DFADHO CO[C@@H]1CCCN(CC[C@H](C)[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953996 544933109 /nfs/dbraw/zinc/93/31/09/544933109.db2.gz OBHIYUBYBUGDBY-KSZLIROESA-N 1 3 312.498 2.767 20 0 DFADHO CO[C@@H]1CCC[N@@H+](CC[C@H](C)N2CCC[C@H](OC)CC2)CC1 ZINC000679953996 544933112 /nfs/dbraw/zinc/93/31/12/544933112.db2.gz OBHIYUBYBUGDBY-KSZLIROESA-N 1 3 312.498 2.767 20 0 DFADHO CO[C@@H]1CCC[N@H+](CC[C@H](C)N2CCC[C@H](OC)CC2)CC1 ZINC000679953996 544933115 /nfs/dbraw/zinc/93/31/15/544933115.db2.gz OBHIYUBYBUGDBY-KSZLIROESA-N 1 3 312.498 2.767 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC4CSC4)[C@H]3C2)cc1 ZINC000680334017 544992415 /nfs/dbraw/zinc/99/24/15/544992415.db2.gz KMFBAKVRZGQSCU-RYQLBKOJSA-N 1 3 302.487 2.992 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NC4CSC4)[C@H]3C2)cc1 ZINC000680334017 544992419 /nfs/dbraw/zinc/99/24/19/544992419.db2.gz KMFBAKVRZGQSCU-RYQLBKOJSA-N 1 3 302.487 2.992 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]C4CSC4)[C@H]3C2)cc1 ZINC000680334017 544992421 /nfs/dbraw/zinc/99/24/21/544992421.db2.gz KMFBAKVRZGQSCU-RYQLBKOJSA-N 1 3 302.487 2.992 20 0 DFADHO C/C(=C\c1ccccc1)C[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000067122198 425908606 /nfs/dbraw/zinc/90/86/06/425908606.db2.gz RDDPHSHYUSSFPC-XYSGSMRZSA-N 1 3 302.462 2.772 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000155612411 425923339 /nfs/dbraw/zinc/92/33/39/425923339.db2.gz NHJOKAKHKZDMOP-GJZGRUSLSA-N 1 3 323.456 2.511 20 0 DFADHO CN(C)Cc1cccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000155865631 425928892 /nfs/dbraw/zinc/92/88/92/425928892.db2.gz JEISRKOYOWRQGD-UHFFFAOYSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@H](CC[NH2+][C@@H]1CCN(C)[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000156196181 425933136 /nfs/dbraw/zinc/93/31/36/425933136.db2.gz JCHQXSFIESPDGQ-ZIFCJYIRSA-N 1 3 303.494 2.969 20 0 DFADHO CC(C)[NH+](CCNC(=O)Nc1cccc(CN(C)C)c1)C(C)C ZINC000044292573 425856086 /nfs/dbraw/zinc/85/60/86/425856086.db2.gz YWDPUNGQNXLQQP-UHFFFAOYSA-N 1 3 320.481 2.989 20 0 DFADHO C[NH+]1CCC(CNCc2csc(Br)c2)CC1 ZINC000044516363 425856725 /nfs/dbraw/zinc/85/67/25/425856725.db2.gz IODGZYCXYDQUIR-UHFFFAOYSA-N 1 3 303.269 2.942 20 0 DFADHO c1coc(-c2ncc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)s2)c1 ZINC000193001679 268056036 /nfs/dbraw/zinc/05/60/36/268056036.db2.gz NSBYCUKDXIIVJJ-LBPRGKRZSA-N 1 3 303.431 2.977 20 0 DFADHO COC(=O)[C@H]1CC[C@@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000193874487 268082525 /nfs/dbraw/zinc/08/25/25/268082525.db2.gz GAXCPGAVMSZHPN-ATLSCFEFSA-N 1 3 322.493 2.961 20 0 DFADHO COC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000193874487 268082526 /nfs/dbraw/zinc/08/25/26/268082526.db2.gz GAXCPGAVMSZHPN-ATLSCFEFSA-N 1 3 322.493 2.961 20 0 DFADHO CCCC[C@H](N)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000236817975 268151864 /nfs/dbraw/zinc/15/18/64/268151864.db2.gz BIXIKNGONNDTPJ-KRWDZBQOSA-N 1 3 305.466 2.661 20 0 DFADHO CCCC[C@H](N)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000236817975 268151867 /nfs/dbraw/zinc/15/18/67/268151867.db2.gz BIXIKNGONNDTPJ-KRWDZBQOSA-N 1 3 305.466 2.661 20 0 DFADHO CCCC[C@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000236858670 268152017 /nfs/dbraw/zinc/15/20/17/268152017.db2.gz JLNQAUHFJZWWGU-INIZCTEOSA-N 1 3 316.449 2.659 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1cccc(OCCN(C)C)c1 ZINC000250087292 268168280 /nfs/dbraw/zinc/16/82/80/268168280.db2.gz PVHOVTORFXHQLN-BXWFABGCSA-N 1 3 320.477 2.829 20 0 DFADHO CC(C)N(C)CCC[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000287269732 268276184 /nfs/dbraw/zinc/27/61/84/268276184.db2.gz AVUJACOKHRACAW-OAHLLOKOSA-N 1 3 301.438 2.648 20 0 DFADHO CCC[C@@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000296361320 268303287 /nfs/dbraw/zinc/30/32/87/268303287.db2.gz RWMWPAPCSGUZTL-GOSISDBHSA-N 1 3 305.466 2.781 20 0 DFADHO CCC[C@@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000296361320 268303289 /nfs/dbraw/zinc/30/32/89/268303289.db2.gz RWMWPAPCSGUZTL-GOSISDBHSA-N 1 3 305.466 2.781 20 0 DFADHO COc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1OC ZINC000320114256 268347060 /nfs/dbraw/zinc/34/70/60/268347060.db2.gz NBIJCKHNDPKDLX-BETUJISGSA-N 1 3 324.852 2.789 20 0 DFADHO CCc1noc(C2CCC([NH2+][C@H](C)[C@@H]3CCCNC3)CC2)n1 ZINC000333182776 268380167 /nfs/dbraw/zinc/38/01/67/268380167.db2.gz QCJFHAIDAWXEPO-FEWQNLEASA-N 1 3 306.454 2.636 20 0 DFADHO CC[N@@H+]1CC[C@@H](NC[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000124789884 425939033 /nfs/dbraw/zinc/93/90/33/425939033.db2.gz ODWDRIZPRKSFIX-OLMNPRSZSA-N 1 3 307.457 2.748 20 0 DFADHO CC[N@H+]1CC[C@@H](NC[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000124789884 425939035 /nfs/dbraw/zinc/93/90/35/425939035.db2.gz ODWDRIZPRKSFIX-OLMNPRSZSA-N 1 3 307.457 2.748 20 0 DFADHO CCN1CC[C@@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000124789884 425939037 /nfs/dbraw/zinc/93/90/37/425939037.db2.gz ODWDRIZPRKSFIX-OLMNPRSZSA-N 1 3 307.457 2.748 20 0 DFADHO COCCCCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000103227872 425939656 /nfs/dbraw/zinc/93/96/56/425939656.db2.gz SXBAGRXMKHFQMR-CALCHBBNSA-N 1 3 312.498 2.624 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCN[C@@H]2CCCc3c2cnn3C)C1 ZINC000157956023 425940848 /nfs/dbraw/zinc/94/08/48/425940848.db2.gz SHULJKMBWNCRDH-DOTOQJQBSA-N 1 3 304.482 2.899 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCN[C@@H]2CCCc3c2cnn3C)C1 ZINC000157956023 425940852 /nfs/dbraw/zinc/94/08/52/425940852.db2.gz SHULJKMBWNCRDH-DOTOQJQBSA-N 1 3 304.482 2.899 20 0 DFADHO COC[C@@H]([NH2+]CC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000125544054 425977935 /nfs/dbraw/zinc/97/79/35/425977935.db2.gz OBXHGLUJWMWOQK-QGZVFWFLSA-N 1 3 308.491 2.975 20 0 DFADHO CCCC[N@H+](C)CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000112309319 426071833 /nfs/dbraw/zinc/07/18/33/426071833.db2.gz GLMWVCHBEPFQAS-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO CCCC[N@@H+](C)CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000112309319 426071837 /nfs/dbraw/zinc/07/18/37/426071837.db2.gz GLMWVCHBEPFQAS-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO CCC[C@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)N(C)C ZINC000161860250 426042572 /nfs/dbraw/zinc/04/25/72/426042572.db2.gz DXLQQXRKLDDLCT-QZTJIDSGSA-N 1 3 323.525 2.687 20 0 DFADHO CCC[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)N(C)C ZINC000161860526 426042918 /nfs/dbraw/zinc/04/29/18/426042918.db2.gz DXLQQXRKLDDLCT-ZWKOTPCHSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc2c(c1)CCC2 ZINC000128301845 426110936 /nfs/dbraw/zinc/11/09/36/426110936.db2.gz HKAZAMTZXPBVSZ-QGZVFWFLSA-N 1 3 315.505 2.854 20 0 DFADHO CC[C@H](Cc1ccccc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128491792 426118585 /nfs/dbraw/zinc/11/85/85/426118585.db2.gz ZMHPDOZGMJFYEE-LJQANCHMSA-N 1 3 303.494 2.625 20 0 DFADHO C[N@H+](CCCF)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000128529036 426121712 /nfs/dbraw/zinc/12/17/12/426121712.db2.gz ILBYYNYIPJNSAF-SFHVURJKSA-N 1 3 308.441 2.723 20 0 DFADHO C[N@@H+](CCCF)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000128529036 426121716 /nfs/dbraw/zinc/12/17/16/426121716.db2.gz ILBYYNYIPJNSAF-SFHVURJKSA-N 1 3 308.441 2.723 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(F)cc1F ZINC000165965730 426124297 /nfs/dbraw/zinc/12/42/97/426124297.db2.gz XDZKPFAWFGBEGC-GXTWGEPZSA-N 1 3 300.393 2.972 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CSCCc2ccccc21 ZINC000166034752 426125636 /nfs/dbraw/zinc/12/56/36/426125636.db2.gz BGUXCACYTURKPE-FUHWJXTLSA-N 1 3 322.518 2.963 20 0 DFADHO C[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)N1CCCCCC1 ZINC000114235107 426129989 /nfs/dbraw/zinc/12/99/89/426129989.db2.gz PPMNMUKQQJJRNT-HNNXBMFYSA-N 1 3 303.450 2.951 20 0 DFADHO C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(OCCN(C)C)cc1 ZINC000167019937 426131529 /nfs/dbraw/zinc/13/15/29/426131529.db2.gz DHAALFZRNBRDDG-CRAIPNDOSA-N 1 3 306.450 2.847 20 0 DFADHO C[C@H]1C[C@@H](NCC2=CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000127763184 426085267 /nfs/dbraw/zinc/08/52/67/426085267.db2.gz XAYKGQKMUMZFIY-LPHOPBHVSA-N 1 3 300.446 2.976 20 0 DFADHO C[C@H]1C[C@@H](NCC2=CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000127763184 426085270 /nfs/dbraw/zinc/08/52/70/426085270.db2.gz XAYKGQKMUMZFIY-LPHOPBHVSA-N 1 3 300.446 2.976 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1cccc(F)c1)N(C)C ZINC000133463753 426178681 /nfs/dbraw/zinc/17/86/81/426178681.db2.gz VVEHBQKUZZQMJP-KNCCTNLNSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1cccc(F)c1)N(C)C ZINC000133463753 426178683 /nfs/dbraw/zinc/17/86/83/426178683.db2.gz VVEHBQKUZZQMJP-KNCCTNLNSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000133463753 426178686 /nfs/dbraw/zinc/17/86/86/426178686.db2.gz VVEHBQKUZZQMJP-KNCCTNLNSA-N 1 3 307.457 2.747 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(CC)CCC[NH2+]1)c1ccsc1 ZINC000134568136 426188516 /nfs/dbraw/zinc/18/85/16/426188516.db2.gz IBQOUXGHVSLDOX-DOTOQJQBSA-N 1 3 323.506 2.779 20 0 DFADHO COc1ccc(OCCCN(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000118841507 426247725 /nfs/dbraw/zinc/24/77/25/426247725.db2.gz WMLWADQUONLZAV-MRXNPFEDSA-N 1 3 306.450 2.738 20 0 DFADHO COc1ccc(OCCCN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000118841507 426247728 /nfs/dbraw/zinc/24/77/28/426247728.db2.gz WMLWADQUONLZAV-MRXNPFEDSA-N 1 3 306.450 2.738 20 0 DFADHO CC(C)[C@@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N1CCCCC1 ZINC000085290346 426249738 /nfs/dbraw/zinc/24/97/38/426249738.db2.gz WNOIJCZERORYKP-CVEARBPZSA-N 1 3 311.514 2.589 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000118965688 426252315 /nfs/dbraw/zinc/25/23/15/426252315.db2.gz YRAGCCDGMCXHQU-CAMMJAKZSA-N 1 3 303.494 2.916 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000118965688 426252316 /nfs/dbraw/zinc/25/23/16/426252316.db2.gz YRAGCCDGMCXHQU-CAMMJAKZSA-N 1 3 303.494 2.916 20 0 DFADHO Cc1ccc([C@H](C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)N(C)C)cc1 ZINC000118965688 426252319 /nfs/dbraw/zinc/25/23/19/426252319.db2.gz YRAGCCDGMCXHQU-CAMMJAKZSA-N 1 3 303.494 2.916 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(OC)c1 ZINC000150955671 426268784 /nfs/dbraw/zinc/26/87/84/426268784.db2.gz JNJRJKUJIHALNA-LJQANCHMSA-N 1 3 319.493 2.762 20 0 DFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc2c(s1)CCC2 ZINC000150977308 426269948 /nfs/dbraw/zinc/26/99/48/426269948.db2.gz GQVZKMAAXLZPBP-CQSZACIVSA-N 1 3 321.534 2.913 20 0 DFADHO Cc1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c(C)c1 ZINC000150985024 426270836 /nfs/dbraw/zinc/27/08/36/426270836.db2.gz KXNBSYMZMQLNCE-KRWDZBQOSA-N 1 3 303.494 2.980 20 0 DFADHO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000135331395 426214682 /nfs/dbraw/zinc/21/46/82/426214682.db2.gz UDFFDYXWFBKARI-CRAIPNDOSA-N 1 3 321.509 2.630 20 0 DFADHO CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000135331395 426214685 /nfs/dbraw/zinc/21/46/85/426214685.db2.gz UDFFDYXWFBKARI-CRAIPNDOSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](CCn1cccn1)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000119675867 426301458 /nfs/dbraw/zinc/30/14/58/426301458.db2.gz MELWRVODBQREHZ-BRWVUGGUSA-N 1 3 304.482 2.904 20 0 DFADHO c1c(CNCCCCC[NH+]2CCCC2)[nH]nc1-c1cccnc1 ZINC000339500356 268826355 /nfs/dbraw/zinc/82/63/55/268826355.db2.gz OTWRFFWEAACBIT-UHFFFAOYSA-N 1 3 313.449 2.827 20 0 DFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccncc1 ZINC000090523895 426327430 /nfs/dbraw/zinc/32/74/30/426327430.db2.gz BCQMAWOLGGFCJC-QGTPRVQTSA-N 1 3 303.450 2.500 20 0 DFADHO CSCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000175796470 426329305 /nfs/dbraw/zinc/32/93/05/426329305.db2.gz KIWRYWXHVZSMNT-GJZGRUSLSA-N 1 3 300.512 2.561 20 0 DFADHO CSCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175796455 426329904 /nfs/dbraw/zinc/32/99/04/426329904.db2.gz KIWRYWXHVZSMNT-GASCZTMLSA-N 1 3 300.512 2.561 20 0 DFADHO Cc1c(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cnn1C ZINC000090887924 426333469 /nfs/dbraw/zinc/33/34/69/426333469.db2.gz UIQDDAGOAOFHIP-AWEZNQCLSA-N 1 3 316.449 2.520 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000152265338 426335674 /nfs/dbraw/zinc/33/56/74/426335674.db2.gz MWRYZTPLSVFYAP-KRWDZBQOSA-N 1 3 311.514 2.543 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000152265338 426335677 /nfs/dbraw/zinc/33/56/77/426335677.db2.gz MWRYZTPLSVFYAP-KRWDZBQOSA-N 1 3 311.514 2.543 20 0 DFADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cnn(C)c1 ZINC000089214879 426282616 /nfs/dbraw/zinc/28/26/16/426282616.db2.gz IQZMKTXTSLOAIK-SFHVURJKSA-N 1 3 313.449 2.772 20 0 DFADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCCO2 ZINC000152380793 426341662 /nfs/dbraw/zinc/34/16/62/426341662.db2.gz MJXLUYAUGBIDDZ-KDOFPFPSSA-N 1 3 316.445 2.983 20 0 DFADHO CCSCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000123042039 426410159 /nfs/dbraw/zinc/41/01/59/426410159.db2.gz MLAOMLUHFGETFQ-GJZGRUSLSA-N 1 3 300.512 2.561 20 0 DFADHO CC[C@H](C[NH2+][C@@H]1CCN(C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000123093403 426414283 /nfs/dbraw/zinc/41/42/83/426414283.db2.gz DXIXTGYZANKKGE-NSISKUIASA-N 1 3 315.505 2.896 20 0 DFADHO Cc1ccc([C@@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)N2CCCC2)o1 ZINC000154030453 426420191 /nfs/dbraw/zinc/42/01/91/426420191.db2.gz MJRKKOJOPLBJTH-USXIJHARSA-N 1 3 305.466 2.655 20 0 DFADHO Cc1ccc([C@@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)N2CCCC2)o1 ZINC000154030453 426420193 /nfs/dbraw/zinc/42/01/93/426420193.db2.gz MJRKKOJOPLBJTH-USXIJHARSA-N 1 3 305.466 2.655 20 0 DFADHO Cc1ccc([C@@H](C[NH2+][C@@H]2CCN(C)C[C@@H]2C)N2CCCC2)o1 ZINC000154030453 426420196 /nfs/dbraw/zinc/42/01/96/426420196.db2.gz MJRKKOJOPLBJTH-USXIJHARSA-N 1 3 305.466 2.655 20 0 DFADHO Cc1ccc([C@@H](C[NH2+][C@H]2CCN(C)[C@H](C)C2)N2CCCC2)o1 ZINC000154015984 426420489 /nfs/dbraw/zinc/42/04/89/426420489.db2.gz PXRHZTPUEKLCHQ-HYVNUMGLSA-N 1 3 305.466 2.797 20 0 DFADHO C[C@H]1C[C@@H]1c1ccc(CNCCN2CCC([NH+](C)C)CC2)o1 ZINC000176990059 426431442 /nfs/dbraw/zinc/43/14/42/426431442.db2.gz DHHAFMKHJYSXIM-YOEHRIQHSA-N 1 3 305.466 2.519 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H]2c3ccccc3C[C@H]2C)CC1 ZINC000154478556 426442931 /nfs/dbraw/zinc/44/29/31/426442931.db2.gz PLKCHVKMTQSSSO-XLIONFOSSA-N 1 3 315.505 2.927 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000154528105 426443454 /nfs/dbraw/zinc/44/34/54/426443454.db2.gz RISJRWQETZROPO-MRXNPFEDSA-N 1 3 307.457 2.894 20 0 DFADHO COCC[N@H+](C)CCCN[C@H]1CCCc2cc(OC)ccc21 ZINC000153783333 426407019 /nfs/dbraw/zinc/40/70/19/426407019.db2.gz VZRMKQZAFMHHCR-SFHVURJKSA-N 1 3 306.450 2.631 20 0 DFADHO COCC[N@@H+](C)CCCN[C@H]1CCCc2cc(OC)ccc21 ZINC000153783333 426407021 /nfs/dbraw/zinc/40/70/21/426407021.db2.gz VZRMKQZAFMHHCR-SFHVURJKSA-N 1 3 306.450 2.631 20 0 DFADHO COCC(C)(C)C[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000341280932 269060065 /nfs/dbraw/zinc/06/00/65/269060065.db2.gz WSNZVFSJOSSWQT-UHFFFAOYSA-N 1 3 320.477 2.922 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C)C1 ZINC000155432323 426470806 /nfs/dbraw/zinc/47/08/06/426470806.db2.gz VZBJFZHYFFERMA-UNEWFSDZSA-N 1 3 323.431 2.863 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C)C1 ZINC000155432323 426470809 /nfs/dbraw/zinc/47/08/09/426470809.db2.gz VZBJFZHYFFERMA-UNEWFSDZSA-N 1 3 323.431 2.863 20 0 DFADHO COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000124381314 426482433 /nfs/dbraw/zinc/48/24/33/426482433.db2.gz HZKHQUCHEIXNPG-UONOGXRCSA-N 1 3 304.434 2.839 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000101650326 426485684 /nfs/dbraw/zinc/48/56/84/426485684.db2.gz FYRHEWGNXQEUKZ-MRXNPFEDSA-N 1 3 319.493 2.989 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000101659274 426486027 /nfs/dbraw/zinc/48/60/27/426486027.db2.gz WMCUAAQHAAZTFQ-JYJNAYRXSA-N 1 3 309.498 2.628 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000178005155 426555075 /nfs/dbraw/zinc/55/50/75/426555075.db2.gz TYRPCBRRHNCZPP-CQSZACIVSA-N 1 3 324.538 2.828 20 0 DFADHO Cc1nccn1CC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272485133 426538283 /nfs/dbraw/zinc/53/82/83/426538283.db2.gz MMCKRRFTYYELSL-APWZRJJASA-N 1 3 312.461 2.692 20 0 DFADHO c1cc2c(cccc2CNCC2([NH+]3CCCC3)CCOCC2)[nH]1 ZINC000264390225 426545722 /nfs/dbraw/zinc/54/57/22/426545722.db2.gz RKLHUJZXJWTMGK-UHFFFAOYSA-N 1 3 313.445 2.903 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC(C)(C(C)C)CC2)CC1 ZINC000186194758 426492436 /nfs/dbraw/zinc/49/24/36/426492436.db2.gz JXCJPSKEBUCPHN-UHFFFAOYSA-N 1 3 323.525 2.734 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)C12CCOCC2 ZINC000186212741 426494171 /nfs/dbraw/zinc/49/41/71/426494171.db2.gz TZUGRGSOKQNDJA-RCCFBDPRSA-N 1 3 324.509 2.815 20 0 DFADHO CCO[C@@H]1C[C@@H](NCCC[N@@H+]2CCCC[C@@H]2C)C12CCOCC2 ZINC000186212741 426494174 /nfs/dbraw/zinc/49/41/74/426494174.db2.gz TZUGRGSOKQNDJA-RCCFBDPRSA-N 1 3 324.509 2.815 20 0 DFADHO CCO[C@@H]1C[C@@H](NCCC[N@H+]2CCCC[C@@H]2C)C12CCOCC2 ZINC000186212741 426494176 /nfs/dbraw/zinc/49/41/76/426494176.db2.gz TZUGRGSOKQNDJA-RCCFBDPRSA-N 1 3 324.509 2.815 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)CCO)c1ccc(OCCN(C)C)cc1 ZINC000178161667 426580722 /nfs/dbraw/zinc/58/07/22/426580722.db2.gz SOSWDJKQMXWWAI-HNNXBMFYSA-N 1 3 308.466 2.686 20 0 DFADHO COC(=O)c1ccccc1CCN1CCC(CC[NH+](C)C)CC1 ZINC000186728084 426586027 /nfs/dbraw/zinc/58/60/27/426586027.db2.gz MWWSNDVUTQDBFK-UHFFFAOYSA-N 1 3 318.461 2.679 20 0 DFADHO C[C@H](NCCOCC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562913 426558426 /nfs/dbraw/zinc/55/84/26/426558426.db2.gz UOUSNFBQMNJWLE-QFBILLFUSA-N 1 3 302.462 2.913 20 0 DFADHO C[C@H](NCCOCC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562913 426558429 /nfs/dbraw/zinc/55/84/29/426558429.db2.gz UOUSNFBQMNJWLE-QFBILLFUSA-N 1 3 302.462 2.913 20 0 DFADHO Cc1nc(C)c([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)s1 ZINC000178469092 426635141 /nfs/dbraw/zinc/63/51/41/426635141.db2.gz IJBAEDKICPOTKY-ZFWWWQNUSA-N 1 3 323.506 2.911 20 0 DFADHO Cc1ccc(NC(=O)CC2CC[NH+](C)CC2)c(CN(C)C)c1 ZINC000273284851 426636292 /nfs/dbraw/zinc/63/62/92/426636292.db2.gz XDSYFIQVVYIFQM-UHFFFAOYSA-N 1 3 303.450 2.727 20 0 DFADHO O[C@H](C[NH2+][C@@H]1CCCc2c(Cl)cccc21)CN1CCCC1 ZINC000273400832 426657782 /nfs/dbraw/zinc/65/77/82/426657782.db2.gz NAALBVKCJQWNKJ-CXAGYDPISA-N 1 3 308.853 2.764 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](N)c1ccccc1 ZINC000236854708 426687079 /nfs/dbraw/zinc/68/70/79/426687079.db2.gz UGXHRFZLDGPMKE-NVXWUHKLSA-N 1 3 305.466 2.703 20 0 DFADHO CC(C)(C)N1CCC([NH2+]Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000236644188 426668106 /nfs/dbraw/zinc/66/81/06/426668106.db2.gz OLVDCHLUKMCRCL-UHFFFAOYSA-N 1 3 313.449 2.824 20 0 DFADHO CC[C@]1(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)OCCc2ccccc21 ZINC000289614773 426671325 /nfs/dbraw/zinc/67/13/25/426671325.db2.gz DGUOEJCTIULMEA-KVSKMBFKSA-N 1 3 302.462 2.937 20 0 DFADHO CC[C@]1(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)OCCc2ccccc21 ZINC000289614773 426671330 /nfs/dbraw/zinc/67/13/30/426671330.db2.gz DGUOEJCTIULMEA-KVSKMBFKSA-N 1 3 302.462 2.937 20 0 DFADHO CCC(CC)(C[NH3+])C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000236655854 426671519 /nfs/dbraw/zinc/67/15/19/426671519.db2.gz YBKUEYQJAISGET-UHFFFAOYSA-N 1 3 317.477 2.532 20 0 DFADHO CC1CC[NH+](CCCCNC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000236696487 426677340 /nfs/dbraw/zinc/67/73/40/426677340.db2.gz AIJRSAYGJGUWPO-GOSISDBHSA-N 1 3 317.477 2.705 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000178411739 426624247 /nfs/dbraw/zinc/62/42/47/426624247.db2.gz UZJADJGBPCUVNA-HNNXBMFYSA-N 1 3 317.433 2.780 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCCC1)c1ccc2c(c1)OCCO2 ZINC000178412602 426624665 /nfs/dbraw/zinc/62/46/65/426624665.db2.gz DWUWRXUGXIDGCG-INIZCTEOSA-N 1 3 304.434 2.984 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cccc(OCCN(C)C)c1 ZINC000178426284 426625918 /nfs/dbraw/zinc/62/59/18/426625918.db2.gz VSNVBJPOMQTVGV-HOTGVXAUSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cccc(OCCN(C)C)c1 ZINC000178426292 426626814 /nfs/dbraw/zinc/62/68/14/426626814.db2.gz VSNVBJPOMQTVGV-CVEARBPZSA-N 1 3 306.450 2.704 20 0 DFADHO C[NH+](C)Cc1ccc(NC(=O)[C@H](C2CC2)N2CCCC2)cc1 ZINC000273592211 426691443 /nfs/dbraw/zinc/69/14/43/426691443.db2.gz MZOAOQTWQIISED-KRWDZBQOSA-N 1 3 301.434 2.561 20 0 DFADHO Cc1cccc([C@@H]2CCCN2C[C@@H](O)C[N@@H+](C)C2CC2)c1C ZINC000290100441 426693851 /nfs/dbraw/zinc/69/38/51/426693851.db2.gz WSAGPXRPVUOPJH-HKUYNNGSSA-N 1 3 302.462 2.895 20 0 DFADHO Cc1cccc([C@@H]2CCCN2C[C@@H](O)C[N@H+](C)C2CC2)c1C ZINC000290100441 426693855 /nfs/dbraw/zinc/69/38/55/426693855.db2.gz WSAGPXRPVUOPJH-HKUYNNGSSA-N 1 3 302.462 2.895 20 0 DFADHO CC[C@@H]1CN(CCn2ccnc2C)CC[N@@H+]1Cc1ccccc1 ZINC000273596316 426694315 /nfs/dbraw/zinc/69/43/15/426694315.db2.gz KIVMYFXLXYAFPU-LJQANCHMSA-N 1 3 312.461 2.788 20 0 DFADHO CC[C@@H]1CN(CCn2ccnc2C)CC[N@H+]1Cc1ccccc1 ZINC000273596316 426694320 /nfs/dbraw/zinc/69/43/20/426694320.db2.gz KIVMYFXLXYAFPU-LJQANCHMSA-N 1 3 312.461 2.788 20 0 DFADHO CC[C@@H]1C[N@H+](CCn2ccnc2C)CCN1Cc1ccccc1 ZINC000273596316 426694324 /nfs/dbraw/zinc/69/43/24/426694324.db2.gz KIVMYFXLXYAFPU-LJQANCHMSA-N 1 3 312.461 2.788 20 0 DFADHO CC[C@@H]1C[N@@H+](CCn2ccnc2C)CCN1Cc1ccccc1 ZINC000273596316 426694329 /nfs/dbraw/zinc/69/43/29/426694329.db2.gz KIVMYFXLXYAFPU-LJQANCHMSA-N 1 3 312.461 2.788 20 0 DFADHO NC[C@@H](C(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000178791971 426696559 /nfs/dbraw/zinc/69/65/59/426696559.db2.gz GUCVOQCCURVMKV-GOSISDBHSA-N 1 3 317.477 2.501 20 0 DFADHO [NH3+]CCCCCCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000237997017 426702516 /nfs/dbraw/zinc/70/25/16/426702516.db2.gz JUPARBWHIXFFJK-GOSISDBHSA-N 1 3 317.477 2.849 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000290444169 426766842 /nfs/dbraw/zinc/76/68/42/426766842.db2.gz VRAKIBNEROBLGI-QRQLOZEOSA-N 1 3 301.478 2.723 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000290444169 426766848 /nfs/dbraw/zinc/76/68/48/426766848.db2.gz VRAKIBNEROBLGI-QRQLOZEOSA-N 1 3 301.478 2.723 20 0 DFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CCCO2)C3)cc1 ZINC000245784355 426772315 /nfs/dbraw/zinc/77/23/15/426772315.db2.gz ZIVJNZVFJWCHRS-AKHDSKFASA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CCCO2)C3)cc1 ZINC000245784355 426772319 /nfs/dbraw/zinc/77/23/19/426772319.db2.gz ZIVJNZVFJWCHRS-AKHDSKFASA-N 1 3 300.446 2.951 20 0 DFADHO COc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1O ZINC000290478217 426773998 /nfs/dbraw/zinc/77/39/98/426773998.db2.gz NXXQCVCYLWGRSX-MRXNPFEDSA-N 1 3 304.434 2.565 20 0 DFADHO Brc1cccc2c1CCN(CC1CC[NH2+]CC1)C2 ZINC000178970834 426728052 /nfs/dbraw/zinc/72/80/52/426728052.db2.gz DDZWXUGWWIXNAR-UHFFFAOYSA-N 1 3 309.251 2.807 20 0 DFADHO Cc1ccc2nc(CN3CC[C@@H](C4CC[NH+](C)CC4)C3)cn2c1 ZINC000290301455 426736268 /nfs/dbraw/zinc/73/62/68/426736268.db2.gz BIXQVYSGDCHQMV-QGZVFWFLSA-N 1 3 312.461 2.806 20 0 DFADHO COC(=O)c1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)oc1C ZINC000290590757 426799535 /nfs/dbraw/zinc/79/95/35/426799535.db2.gz VFDJXVKTRNWOFM-OAHLLOKOSA-N 1 3 320.433 2.538 20 0 DFADHO CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000290610941 426805465 /nfs/dbraw/zinc/80/54/65/426805465.db2.gz WMYIKOFIVMYCDD-GOSISDBHSA-N 1 3 315.461 2.809 20 0 DFADHO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000290610941 426805471 /nfs/dbraw/zinc/80/54/71/426805471.db2.gz WMYIKOFIVMYCDD-GOSISDBHSA-N 1 3 315.461 2.809 20 0 DFADHO C[NH+]1CCC(N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)CC1 ZINC000290630874 426808797 /nfs/dbraw/zinc/80/87/97/426808797.db2.gz XZKARSKNAJSSNI-RBUKOAKNSA-N 1 3 310.445 2.796 20 0 DFADHO COCc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000290664220 426814024 /nfs/dbraw/zinc/81/40/24/426814024.db2.gz ZXCWZDVYNNGNDH-LJQANCHMSA-N 1 3 302.462 2.997 20 0 DFADHO COCc1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000290664220 426814029 /nfs/dbraw/zinc/81/40/29/426814029.db2.gz ZXCWZDVYNNGNDH-LJQANCHMSA-N 1 3 302.462 2.997 20 0 DFADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000246281732 426816040 /nfs/dbraw/zinc/81/60/40/426816040.db2.gz MPJJFOHGHCTSPS-NCOADZHNSA-N 1 3 321.509 2.534 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282124910 426833845 /nfs/dbraw/zinc/83/38/45/426833845.db2.gz AZKJWPGZWOBZRL-QAPCUYQASA-N 1 3 301.478 2.536 20 0 DFADHO C[C@@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)cc1 ZINC000282232148 426858294 /nfs/dbraw/zinc/85/82/94/426858294.db2.gz FPLHKEPTGOZOIG-HNNXBMFYSA-N 1 3 307.457 2.545 20 0 DFADHO COC1(C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CCC1 ZINC000180201750 426844400 /nfs/dbraw/zinc/84/44/00/426844400.db2.gz POHGULMWZYNVDF-HNNXBMFYSA-N 1 3 306.450 2.847 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1(C)C ZINC000282203594 426851524 /nfs/dbraw/zinc/85/15/24/426851524.db2.gz GYFPKRUVTUXGKA-KRWDZBQOSA-N 1 3 321.896 2.943 20 0 DFADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Cl)cn1 ZINC000274861341 426853393 /nfs/dbraw/zinc/85/33/93/426853393.db2.gz CYMAKXALPJSOIU-DZGCQCFKSA-N 1 3 311.857 2.623 20 0 DFADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cn1 ZINC000274861341 426853399 /nfs/dbraw/zinc/85/33/99/426853399.db2.gz CYMAKXALPJSOIU-DZGCQCFKSA-N 1 3 311.857 2.623 20 0 DFADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553568 426792847 /nfs/dbraw/zinc/79/28/47/426792847.db2.gz RXIJZXDKTIBQQN-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553568 426792850 /nfs/dbraw/zinc/79/28/50/426792850.db2.gz RXIJZXDKTIBQQN-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553568 426792853 /nfs/dbraw/zinc/79/28/53/426792853.db2.gz RXIJZXDKTIBQQN-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553568 426792856 /nfs/dbraw/zinc/79/28/56/426792856.db2.gz RXIJZXDKTIBQQN-MJGOQNOKSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1(C)C ZINC000282443864 426914798 /nfs/dbraw/zinc/91/47/98/426914798.db2.gz SBNKORSFLRBVTM-RBUKOAKNSA-N 1 3 315.505 2.938 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCN(C)CC1)[C@@H](C)C2 ZINC000180468046 426861947 /nfs/dbraw/zinc/86/19/47/426861947.db2.gz DXVBDXTYJKCFDY-PXNSSMCTSA-N 1 3 315.505 2.846 20 0 DFADHO C[C@@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000246905460 426876275 /nfs/dbraw/zinc/87/62/75/426876275.db2.gz FPNMRPBZGPCWFT-AIANPOQGSA-N 1 3 321.534 2.813 20 0 DFADHO C[C@@H](CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000246905460 426876278 /nfs/dbraw/zinc/87/62/78/426876278.db2.gz FPNMRPBZGPCWFT-AIANPOQGSA-N 1 3 321.534 2.813 20 0 DFADHO Cn1cc(-c2ccc(C[NH2+]CCCN3CCCC3)s2)cn1 ZINC000282329822 426883682 /nfs/dbraw/zinc/88/36/82/426883682.db2.gz UWMKCYIVZHJVOY-UHFFFAOYSA-N 1 3 304.463 2.724 20 0 DFADHO CSC[C@](C)(O)CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000305127909 426884558 /nfs/dbraw/zinc/88/45/58/426884558.db2.gz LXRXNFNJVYGKGQ-USXIJHARSA-N 1 3 314.539 2.733 20 0 DFADHO CSC[C@](C)(O)C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000305127909 426884563 /nfs/dbraw/zinc/88/45/63/426884563.db2.gz LXRXNFNJVYGKGQ-USXIJHARSA-N 1 3 314.539 2.733 20 0 DFADHO C[C@H]1Cc2ccccc2N1CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247112572 426903005 /nfs/dbraw/zinc/90/30/05/426903005.db2.gz TYOPSGNJAWNZRL-XLMAVXFVSA-N 1 3 301.478 2.756 20 0 DFADHO C[C@H]1Cc2ccccc2N1CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247112572 426903010 /nfs/dbraw/zinc/90/30/10/426903010.db2.gz TYOPSGNJAWNZRL-XLMAVXFVSA-N 1 3 301.478 2.756 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(-n2cncn2)cc1 ZINC000247146903 426908650 /nfs/dbraw/zinc/90/86/50/426908650.db2.gz RFQHRFIGCPXMIM-QILLFSRXSA-N 1 3 313.449 2.791 20 0 DFADHO CCC[C@@H](C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C)N(C)C ZINC000337953392 427057413 /nfs/dbraw/zinc/05/74/13/427057413.db2.gz YTFGUOFMDAHUMP-ZWKOTPCHSA-N 1 3 319.493 2.698 20 0 DFADHO C[C@@H]1CCCC[C@H]1CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000248508751 427007339 /nfs/dbraw/zinc/00/73/39/427007339.db2.gz YIDWBFWTBWPIEA-CEXWTWQISA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1CCCC[C@H]1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000248508751 427007342 /nfs/dbraw/zinc/00/73/42/427007342.db2.gz YIDWBFWTBWPIEA-CEXWTWQISA-N 1 3 307.526 2.915 20 0 DFADHO CSc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000268433422 427016480 /nfs/dbraw/zinc/01/64/80/427016480.db2.gz POLAHHWATJPUBS-UHFFFAOYSA-N 1 3 308.491 2.733 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc3c(c2)CCCC3)CC1 ZINC000292041951 427065875 /nfs/dbraw/zinc/06/58/75/427065875.db2.gz ZLHITMAGQTZMAC-UHFFFAOYSA-N 1 3 316.489 2.890 20 0 DFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(N)CCC3)cc2)C1 ZINC000296081998 427069549 /nfs/dbraw/zinc/06/95/49/427069549.db2.gz QOIUORJHPUDQMX-CQSZACIVSA-N 1 3 301.434 2.738 20 0 DFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(N)CCC3)cc2)C1 ZINC000296081998 427069557 /nfs/dbraw/zinc/06/95/57/427069557.db2.gz QOIUORJHPUDQMX-CQSZACIVSA-N 1 3 301.434 2.738 20 0 DFADHO CC1=CC[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CC1 ZINC000283863710 427090519 /nfs/dbraw/zinc/09/05/19/427090519.db2.gz BQQDQQGPOSHJHE-SFHVURJKSA-N 1 3 314.477 2.682 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000338009041 427090862 /nfs/dbraw/zinc/09/08/62/427090862.db2.gz FQGZXNMINWQAEW-AQNXPRMDSA-N 1 3 314.473 2.922 20 0 DFADHO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(C)C ZINC000268709398 427097080 /nfs/dbraw/zinc/09/70/80/427097080.db2.gz COTFLNXLNJFANR-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)[C@H]3CCCC[C@H]32)CC1 ZINC000249297989 427103914 /nfs/dbraw/zinc/10/39/14/427103914.db2.gz RMSOVXWODOKRKQ-GUDVDZBRSA-N 1 3 307.526 2.913 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)[C@H]3CCCC[C@H]32)CC1 ZINC000249297989 427103921 /nfs/dbraw/zinc/10/39/21/427103921.db2.gz RMSOVXWODOKRKQ-GUDVDZBRSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@H]1CSCCN(CCC[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000190454116 427110999 /nfs/dbraw/zinc/11/09/99/427110999.db2.gz SMEHGVYHOVCUQH-GASCZTMLSA-N 1 3 302.553 2.746 20 0 DFADHO C[C@H]1CSCCN(CCC[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000190454116 427111007 /nfs/dbraw/zinc/11/10/07/427111007.db2.gz SMEHGVYHOVCUQH-GASCZTMLSA-N 1 3 302.553 2.746 20 0 DFADHO C[C@H]1CSCC[N@@H+](CCCN2CCSC[C@@H](C)C2)C1 ZINC000190454116 427111012 /nfs/dbraw/zinc/11/10/12/427111012.db2.gz SMEHGVYHOVCUQH-GASCZTMLSA-N 1 3 302.553 2.746 20 0 DFADHO C[C@H]1CSCC[N@H+](CCCN2CCSC[C@@H](C)C2)C1 ZINC000190454116 427111015 /nfs/dbraw/zinc/11/10/15/427111015.db2.gz SMEHGVYHOVCUQH-GASCZTMLSA-N 1 3 302.553 2.746 20 0 DFADHO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249396735 427111877 /nfs/dbraw/zinc/11/18/77/427111877.db2.gz BCFAUGFMCGJSPX-CGTJXYLNSA-N 1 3 317.477 2.526 20 0 DFADHO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249396735 427111884 /nfs/dbraw/zinc/11/18/84/427111884.db2.gz BCFAUGFMCGJSPX-CGTJXYLNSA-N 1 3 317.477 2.526 20 0 DFADHO CC[NH+](CC)CCOc1ccccc1CN[C@H](C)[C@H](C)OC ZINC000268789658 427116585 /nfs/dbraw/zinc/11/65/85/427116585.db2.gz UIALZYJAXCYZGP-CVEARBPZSA-N 1 3 308.466 2.920 20 0 DFADHO C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)N1[C@H](C)CC[C@H]1C ZINC000338053578 427118213 /nfs/dbraw/zinc/11/82/13/427118213.db2.gz VFLBQCXLZALHER-RXYDEIHYSA-N 1 3 323.525 2.874 20 0 DFADHO CC[C@@H](C)[C@@H](C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000268830875 427131269 /nfs/dbraw/zinc/13/12/69/427131269.db2.gz SFGVTMMHBBKXNL-IAGOWNOFSA-N 1 3 304.482 2.618 20 0 DFADHO C[N@@H+]1CC[C@]2(CCN(CCCOCCc3ccccc3)C2)C1 ZINC000292206810 427131376 /nfs/dbraw/zinc/13/13/76/427131376.db2.gz SULDMTDWDTVDSY-IBGZPJMESA-N 1 3 302.462 2.663 20 0 DFADHO C[N@H+]1CC[C@]2(CCN(CCCOCCc3ccccc3)C2)C1 ZINC000292206810 427131379 /nfs/dbraw/zinc/13/13/79/427131379.db2.gz SULDMTDWDTVDSY-IBGZPJMESA-N 1 3 302.462 2.663 20 0 DFADHO C[N@@H+]1CC[C@@]2(CCN(CCCOCCc3ccccc3)C2)C1 ZINC000292206818 427132173 /nfs/dbraw/zinc/13/21/73/427132173.db2.gz SULDMTDWDTVDSY-LJQANCHMSA-N 1 3 302.462 2.663 20 0 DFADHO C[N@H+]1CC[C@@]2(CCN(CCCOCCc3ccccc3)C2)C1 ZINC000292206818 427132180 /nfs/dbraw/zinc/13/21/80/427132180.db2.gz SULDMTDWDTVDSY-LJQANCHMSA-N 1 3 302.462 2.663 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(OCCN(C)C)cc1 ZINC000296295567 427140107 /nfs/dbraw/zinc/14/01/07/427140107.db2.gz FPZZMDILQSFGQD-LSDHHAIUSA-N 1 3 308.466 2.827 20 0 DFADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000296349907 427153625 /nfs/dbraw/zinc/15/36/25/427153625.db2.gz IXUGWIYCNCXDPX-ZFWWWQNUSA-N 1 3 311.495 2.635 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(C)c(Cl)c2)CC1 ZINC000195437220 271234165 /nfs/dbraw/zinc/23/41/65/271234165.db2.gz TXVADPDJCPKXGE-OAHLLOKOSA-N 1 3 309.885 2.764 20 0 DFADHO CC[C@@H](C(=O)NCc1cccc(C[N@H+](C)CC)c1)N(CC)CC ZINC000265431225 271282526 /nfs/dbraw/zinc/28/25/26/271282526.db2.gz MZHRXFULGJFOJS-SFHVURJKSA-N 1 3 319.493 2.875 20 0 DFADHO CC[C@@H](C(=O)NCc1cccc(C[N@@H+](C)CC)c1)N(CC)CC ZINC000265431225 271282529 /nfs/dbraw/zinc/28/25/29/271282529.db2.gz MZHRXFULGJFOJS-SFHVURJKSA-N 1 3 319.493 2.875 20 0 DFADHO COc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000270538077 271306192 /nfs/dbraw/zinc/30/61/92/271306192.db2.gz WSYXINQSGWDXMM-INIZCTEOSA-N 1 3 306.425 2.998 20 0 DFADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000277353302 427175371 /nfs/dbraw/zinc/17/53/71/427175371.db2.gz WUHRLABLHRVXTO-MRXNPFEDSA-N 1 3 307.413 2.570 20 0 DFADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000277353302 427175379 /nfs/dbraw/zinc/17/53/79/427175379.db2.gz WUHRLABLHRVXTO-MRXNPFEDSA-N 1 3 307.413 2.570 20 0 DFADHO OC1(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCC1 ZINC000284361199 427189402 /nfs/dbraw/zinc/18/94/02/427189402.db2.gz NAMMMLKBCDAENR-CEXWTWQISA-N 1 3 314.473 2.792 20 0 DFADHO OC1(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCC1 ZINC000284361205 427190780 /nfs/dbraw/zinc/19/07/80/427190780.db2.gz NAMMMLKBCDAENR-GUDVDZBRSA-N 1 3 314.473 2.792 20 0 DFADHO CN(CCC(=O)N(C)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285457642 427237664 /nfs/dbraw/zinc/23/76/64/427237664.db2.gz JNQQXASPYZUYIX-JWTNVVGKSA-N 1 3 315.461 2.597 20 0 DFADHO CN(CCC(=O)N(C)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285457642 427237670 /nfs/dbraw/zinc/23/76/70/427237670.db2.gz JNQQXASPYZUYIX-JWTNVVGKSA-N 1 3 315.461 2.597 20 0 DFADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(F)c1F ZINC000183277877 427240473 /nfs/dbraw/zinc/24/04/73/427240473.db2.gz BGRXRIXHFYBOHC-CYBMUJFWSA-N 1 3 311.420 2.641 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000262147978 427352701 /nfs/dbraw/zinc/35/27/01/427352701.db2.gz QRLOKGSBZVYCIA-JZXOWHBKSA-N 1 3 323.525 2.863 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000262147978 427352708 /nfs/dbraw/zinc/35/27/08/427352708.db2.gz QRLOKGSBZVYCIA-JZXOWHBKSA-N 1 3 323.525 2.863 20 0 DFADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c(-c2ccnn2C)c1 ZINC000338444054 427325282 /nfs/dbraw/zinc/32/52/82/427325282.db2.gz LSAWSJRSWIEAAU-NVXWUHKLSA-N 1 3 312.461 2.968 20 0 DFADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(-c2ccnn2C)c1 ZINC000338444054 427325290 /nfs/dbraw/zinc/32/52/90/427325290.db2.gz LSAWSJRSWIEAAU-NVXWUHKLSA-N 1 3 312.461 2.968 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc1)C(C)C ZINC000262790936 427371873 /nfs/dbraw/zinc/37/18/73/427371873.db2.gz NELMYZKDARICBG-CVEARBPZSA-N 1 3 317.477 2.739 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc1)C(C)C ZINC000262790936 427371876 /nfs/dbraw/zinc/37/18/76/427371876.db2.gz NELMYZKDARICBG-CVEARBPZSA-N 1 3 317.477 2.739 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc1)C(C)C ZINC000262790947 427371971 /nfs/dbraw/zinc/37/19/71/427371971.db2.gz NELMYZKDARICBG-JKSUJKDBSA-N 1 3 317.477 2.739 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc1)C(C)C ZINC000262790947 427371974 /nfs/dbraw/zinc/37/19/74/427371974.db2.gz NELMYZKDARICBG-JKSUJKDBSA-N 1 3 317.477 2.739 20 0 DFADHO OCC1(C[NH2+]C2CCN(c3ccncc3)CC2)CC2(CCC2)C1 ZINC000297555384 427413367 /nfs/dbraw/zinc/41/33/67/427413367.db2.gz AQCJQDXBLLRFMG-UHFFFAOYSA-N 1 3 315.461 2.583 20 0 DFADHO Cn1cncc1CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000297636950 427416028 /nfs/dbraw/zinc/41/60/28/427416028.db2.gz MJWJAODOKMUIFB-FQEVSTJZSA-N 1 3 324.472 2.561 20 0 DFADHO Cn1cncc1CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000297636950 427416033 /nfs/dbraw/zinc/41/60/33/427416033.db2.gz MJWJAODOKMUIFB-FQEVSTJZSA-N 1 3 324.472 2.561 20 0 DFADHO Cn1cncc1CC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000297636950 427416039 /nfs/dbraw/zinc/41/60/39/427416039.db2.gz MJWJAODOKMUIFB-FQEVSTJZSA-N 1 3 324.472 2.561 20 0 DFADHO Cn1cncc1CC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000297636950 427416045 /nfs/dbraw/zinc/41/60/45/427416045.db2.gz MJWJAODOKMUIFB-FQEVSTJZSA-N 1 3 324.472 2.561 20 0 DFADHO CN1CCN(CC[NH2+]Cc2ccc3occc3c2)CC1(C)C ZINC000285847552 427354772 /nfs/dbraw/zinc/35/47/72/427354772.db2.gz HWUKRQSYYJLKIL-UHFFFAOYSA-N 1 3 301.434 2.548 20 0 DFADHO CO[C@@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C1CC1 ZINC000293563151 427364241 /nfs/dbraw/zinc/36/42/41/427364241.db2.gz ASCLGONBBPQTMT-KDOFPFPSSA-N 1 3 306.450 2.703 20 0 DFADHO c1ccc(NCCC[NH2+]C2CCN(c3ccncc3)CC2)nc1 ZINC000297771177 427451043 /nfs/dbraw/zinc/45/10/43/427451043.db2.gz VOWXGFTWPUXTDG-UHFFFAOYSA-N 1 3 311.433 2.537 20 0 DFADHO CC(C)n1ncc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cnc21 ZINC000278812746 427461302 /nfs/dbraw/zinc/46/13/02/427461302.db2.gz RZUQSZHPJFIOGS-ALOPSCKCSA-N 1 3 313.449 2.727 20 0 DFADHO C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000192088023 427476413 /nfs/dbraw/zinc/47/64/13/427476413.db2.gz GTKIMNUQJQSVSP-ZNMIVQPWSA-N 1 3 323.506 2.621 20 0 DFADHO CC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000293901341 427482885 /nfs/dbraw/zinc/48/28/85/427482885.db2.gz ZPUCCHXTVMXAMY-YDZRNGNQSA-N 1 3 302.462 2.648 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCC(=O)NC2(C)C)CC1 ZINC000338775851 427483380 /nfs/dbraw/zinc/48/33/80/427483380.db2.gz QWBOSVPEKUAHFU-OIISXLGYSA-N 1 3 321.509 2.676 20 0 DFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000338775851 427483388 /nfs/dbraw/zinc/48/33/88/427483388.db2.gz QWBOSVPEKUAHFU-OIISXLGYSA-N 1 3 321.509 2.676 20 0 DFADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297483 427485212 /nfs/dbraw/zinc/48/52/12/427485212.db2.gz WNHZCXDALLDVPZ-HZPDHXFCSA-N 1 3 313.449 2.650 20 0 DFADHO CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297483 427485218 /nfs/dbraw/zinc/48/52/18/427485218.db2.gz WNHZCXDALLDVPZ-HZPDHXFCSA-N 1 3 313.449 2.650 20 0 DFADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297483 427485228 /nfs/dbraw/zinc/48/52/28/427485228.db2.gz WNHZCXDALLDVPZ-HZPDHXFCSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccnn1C ZINC000278158469 427420469 /nfs/dbraw/zinc/42/04/69/427420469.db2.gz ATJZPWONMPATNF-XYJFISCASA-N 1 3 312.461 2.981 20 0 DFADHO C[C@](O)(CNC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000297688810 427429614 /nfs/dbraw/zinc/42/96/14/427429614.db2.gz PSOWPYBBQKLLMU-KRWDZBQOSA-N 1 3 308.853 2.764 20 0 DFADHO C[C@@H]1C[C@H](CC[NH2+]C2CCN(c3ccncc3)CC2)CCO1 ZINC000297698006 427433704 /nfs/dbraw/zinc/43/37/04/427433704.db2.gz QFOBWRPLHMJGPC-HZPDHXFCSA-N 1 3 303.450 2.845 20 0 DFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338691027 427440019 /nfs/dbraw/zinc/44/00/19/427440019.db2.gz WLZCZUNPRUKULY-FFZOFVMBSA-N 1 3 315.505 2.794 20 0 DFADHO C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)CN(C)C ZINC000293805717 427442325 /nfs/dbraw/zinc/44/23/25/427442325.db2.gz VHXJBYPSSQKAJB-AFYVEPGGSA-N 1 3 315.505 2.969 20 0 DFADHO Cc1cncc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000184361843 427446051 /nfs/dbraw/zinc/44/60/51/427446051.db2.gz NGWQIBHXNXDVSP-HOTGVXAUSA-N 1 3 303.450 2.542 20 0 DFADHO CCOC1CC(CC[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298042754 427508204 /nfs/dbraw/zinc/50/82/04/427508204.db2.gz HLYICXAAJWDCLC-UHFFFAOYSA-N 1 3 303.450 2.845 20 0 DFADHO Cc1cccc(CCC[NH2+]C2CCN(c3ccncc3)CC2)n1 ZINC000298185124 427527515 /nfs/dbraw/zinc/52/75/15/427527515.db2.gz WEPCENMMCJDFSV-UHFFFAOYSA-N 1 3 310.445 2.976 20 0 DFADHO COC[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C)o1 ZINC000294083654 427543545 /nfs/dbraw/zinc/54/35/45/427543545.db2.gz AMKDSMMSLITEAS-QGZVFWFLSA-N 1 3 315.417 2.929 20 0 DFADHO COCc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)o1 ZINC000271466057 427551229 /nfs/dbraw/zinc/55/12/29/427551229.db2.gz GRFPKHFRXFCQSA-UHFFFAOYSA-N 1 3 315.417 2.827 20 0 DFADHO CC[C@H]1CCCCN1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298299908 427564461 /nfs/dbraw/zinc/56/44/61/427564461.db2.gz HNOARQPMWYHVTK-SFHVURJKSA-N 1 3 316.493 2.905 20 0 DFADHO C[N@H+](CC1CCOCC1)[C@H]1CCCN(CC2CCOCC2)CC1 ZINC000338938250 427568990 /nfs/dbraw/zinc/56/89/90/427568990.db2.gz ILMHPUHMJRDYAE-IBGZPJMESA-N 1 3 324.509 2.626 20 0 DFADHO C[N@@H+](CC1CCOCC1)[C@H]1CCCN(CC2CCOCC2)CC1 ZINC000338938250 427568996 /nfs/dbraw/zinc/56/89/96/427568996.db2.gz ILMHPUHMJRDYAE-IBGZPJMESA-N 1 3 324.509 2.626 20 0 DFADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308290 427573972 /nfs/dbraw/zinc/57/39/72/427573972.db2.gz CVEKPHOUQDBTRH-HOTGVXAUSA-N 1 3 313.449 2.650 20 0 DFADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308290 427573982 /nfs/dbraw/zinc/57/39/82/427573982.db2.gz CVEKPHOUQDBTRH-HOTGVXAUSA-N 1 3 313.449 2.650 20 0 DFADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308290 427573990 /nfs/dbraw/zinc/57/39/90/427573990.db2.gz CVEKPHOUQDBTRH-HOTGVXAUSA-N 1 3 313.449 2.650 20 0 DFADHO CCC[C@H]([NH2+]CCCCN1CCN(CC)CC1)c1cccnc1 ZINC000185014344 427576574 /nfs/dbraw/zinc/57/65/74/427576574.db2.gz WRNLIEDKJCDJGF-IBGZPJMESA-N 1 3 318.509 2.930 20 0 DFADHO CN(C)Cc1cc(C[NH2+]C2CCN(C3CC3)CC2)ccc1F ZINC000298355855 427583020 /nfs/dbraw/zinc/58/30/20/427583020.db2.gz JXUVHHKNUMNCDY-UHFFFAOYSA-N 1 3 305.441 2.604 20 0 DFADHO CN(C)Cc1cc(CNC2CC[NH+](C3CC3)CC2)ccc1F ZINC000298355855 427583025 /nfs/dbraw/zinc/58/30/25/427583025.db2.gz JXUVHHKNUMNCDY-UHFFFAOYSA-N 1 3 305.441 2.604 20 0 DFADHO CN(C)[C@@H](C[NH2+]C1CCN(C2CC2)CC1)c1cccc(F)c1 ZINC000298363314 427584619 /nfs/dbraw/zinc/58/46/19/427584619.db2.gz KFEUEIOEVVUNOB-SFHVURJKSA-N 1 3 305.441 2.645 20 0 DFADHO CN(C)[C@@H](CNC1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000298363314 427584627 /nfs/dbraw/zinc/58/46/27/427584627.db2.gz KFEUEIOEVVUNOB-SFHVURJKSA-N 1 3 305.441 2.645 20 0 DFADHO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1=CCN(C)CC1 ZINC000271913559 427596018 /nfs/dbraw/zinc/59/60/18/427596018.db2.gz YKNLZTKNIMRYPT-AWEZNQCLSA-N 1 3 302.418 2.588 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000298405046 427600008 /nfs/dbraw/zinc/60/00/08/427600008.db2.gz LCRDQDLNWTXQDJ-UHFFFAOYSA-N 1 3 319.493 2.516 20 0 DFADHO CN(C)Cc1cccc(NC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000185344579 427635599 /nfs/dbraw/zinc/63/55/99/427635599.db2.gz DXDFRKWIDUSZIW-UHFFFAOYSA-N 1 3 303.450 2.986 20 0 DFADHO c1c(CNCCCCCCC[NH+]2CCCC2)nc2ncccn12 ZINC000298548747 427646580 /nfs/dbraw/zinc/64/65/80/427646580.db2.gz ULDSNRYXSGTSIR-UHFFFAOYSA-N 1 3 315.465 2.865 20 0 DFADHO CCc1cc(N2CCC([N@H+](C)CCO)CC2)c2ccccc2n1 ZINC000272141332 427646742 /nfs/dbraw/zinc/64/67/42/427646742.db2.gz AXLBDRGIOLYPOL-UHFFFAOYSA-N 1 3 313.445 2.690 20 0 DFADHO CCc1cc(N2CCC([N@@H+](C)CCO)CC2)c2ccccc2n1 ZINC000272141332 427646746 /nfs/dbraw/zinc/64/67/46/427646746.db2.gz AXLBDRGIOLYPOL-UHFFFAOYSA-N 1 3 313.445 2.690 20 0 DFADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000294719312 427649795 /nfs/dbraw/zinc/64/97/95/427649795.db2.gz BRVZHXWITNZJPK-WMZOPIPTSA-N 1 3 317.477 2.636 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000287634125 427658118 /nfs/dbraw/zinc/65/81/18/427658118.db2.gz UGPQEFMAAILBCX-XYJFISCASA-N 1 3 320.477 2.950 20 0 DFADHO CC(C)[C@@H]1CCC[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000333608757 427658790 /nfs/dbraw/zinc/65/87/90/427658790.db2.gz RQKDFARGWDQMAQ-CABCVRRESA-N 1 3 305.470 2.576 20 0 DFADHO C[C@@H]1CC([NH2+]Cc2ccncc2OCCN(C)C)C[C@@H](C)C1 ZINC000342417516 272008192 /nfs/dbraw/zinc/00/81/92/272008192.db2.gz HQTTUCYSQFDZIA-GJZGRUSLSA-N 1 3 305.466 2.936 20 0 DFADHO CCSc1cccc(CNCCN2CCC([NH+](C)C)CC2)c1 ZINC000185565663 427671542 /nfs/dbraw/zinc/67/15/42/427671542.db2.gz WNCRHTUHXIQVLY-UHFFFAOYSA-N 1 3 321.534 2.914 20 0 DFADHO CCc1cc(N(C)C[C@H]2C[C@H](OC)C[N@@H+]2C)c2ccccc2n1 ZINC000343299281 272115409 /nfs/dbraw/zinc/11/54/09/272115409.db2.gz BDZGILDLYMDDOK-CVEARBPZSA-N 1 3 313.445 2.953 20 0 DFADHO CCc1cc(N(C)C[C@H]2C[C@H](OC)C[N@H+]2C)c2ccccc2n1 ZINC000343299281 272115410 /nfs/dbraw/zinc/11/54/10/272115410.db2.gz BDZGILDLYMDDOK-CVEARBPZSA-N 1 3 313.445 2.953 20 0 DFADHO CO[C@H](C)CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000295053170 427673583 /nfs/dbraw/zinc/67/35/83/427673583.db2.gz PTLVHFBHZQXCLX-NXWXRZEISA-N 1 3 302.462 2.912 20 0 DFADHO CC[NH+](CC)CC1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000343574313 272174417 /nfs/dbraw/zinc/17/44/17/272174417.db2.gz CRDCXTCOIQFZFI-QGZVFWFLSA-N 1 3 323.525 2.687 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H]1CCc2c1ccc(OC)c2F ZINC000343813822 272224195 /nfs/dbraw/zinc/22/41/95/272224195.db2.gz CQFKPFHVKVHKCE-INIZCTEOSA-N 1 3 324.440 2.770 20 0 DFADHO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343888287 272232128 /nfs/dbraw/zinc/23/21/28/272232128.db2.gz OWVGMMHJUNTLJL-GJYPPUQNSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343888287 272232129 /nfs/dbraw/zinc/23/21/29/272232129.db2.gz OWVGMMHJUNTLJL-GJYPPUQNSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccncc2OCCN(C)C)[C@@H](C)C1 ZINC000343948328 272242784 /nfs/dbraw/zinc/24/27/84/272242784.db2.gz XYDHIUNJYYNANH-VYDXJSESSA-N 1 3 305.466 2.936 20 0 DFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(C)cc1 ZINC000344143216 272272526 /nfs/dbraw/zinc/27/25/26/272272526.db2.gz MSCLHMHGWLGMCC-UHFFFAOYSA-N 1 3 303.494 2.845 20 0 DFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(C)cc1 ZINC000344143216 272272529 /nfs/dbraw/zinc/27/25/29/272272529.db2.gz MSCLHMHGWLGMCC-UHFFFAOYSA-N 1 3 303.494 2.845 20 0 DFADHO CC(C)[C@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000344568249 272339709 /nfs/dbraw/zinc/33/97/09/272339709.db2.gz DMQFFFOBHZJCET-KSZLIROESA-N 1 3 323.525 2.732 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344719601 272360233 /nfs/dbraw/zinc/36/02/33/272360233.db2.gz YMHDFVGOSHJPIE-SJORKVTESA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344719601 272360234 /nfs/dbraw/zinc/36/02/34/272360234.db2.gz YMHDFVGOSHJPIE-SJORKVTESA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]([NH3+])CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000193313875 427682328 /nfs/dbraw/zinc/68/23/28/427682328.db2.gz DEHNEPPIGZXATQ-RYRKJORJSA-N 1 3 317.477 2.625 20 0 DFADHO C[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)N1CCCCCC1 ZINC000344740261 272364297 /nfs/dbraw/zinc/36/42/97/272364297.db2.gz LCSPAAIDYCLGOZ-IRXDYDNUSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)N1CCCCCC1 ZINC000344740261 272364299 /nfs/dbraw/zinc/36/42/99/272364299.db2.gz LCSPAAIDYCLGOZ-IRXDYDNUSA-N 1 3 321.509 2.584 20 0 DFADHO CC[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)N(CC)CC ZINC000344808728 272372589 /nfs/dbraw/zinc/37/25/89/272372589.db2.gz IRLLYPAZOQRNKC-KRWDZBQOSA-N 1 3 311.514 2.878 20 0 DFADHO CC[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)N(CC)CC ZINC000344808728 272372592 /nfs/dbraw/zinc/37/25/92/272372592.db2.gz IRLLYPAZOQRNKC-KRWDZBQOSA-N 1 3 311.514 2.878 20 0 DFADHO C[C@H](NC[C@H](O)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185743852 427698737 /nfs/dbraw/zinc/69/87/37/427698737.db2.gz RULDFLQLFMDPOL-XKGZKEIXSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@H](NC[C@H](O)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185743852 427698741 /nfs/dbraw/zinc/69/87/41/427698741.db2.gz RULDFLQLFMDPOL-XKGZKEIXSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185743852 427698746 /nfs/dbraw/zinc/69/87/46/427698746.db2.gz RULDFLQLFMDPOL-XKGZKEIXSA-N 1 3 316.489 2.833 20 0 DFADHO Cc1cc(OCC[N@H+]2C[C@H]3CN(C)C[C@H]3C2)ccc1C(C)C ZINC000193629231 427703023 /nfs/dbraw/zinc/70/30/23/427703023.db2.gz ITQJECMNXLMGBD-CALCHBBNSA-N 1 3 302.462 2.991 20 0 DFADHO Cc1cc(OCC[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)ccc1C(C)C ZINC000193629231 427703028 /nfs/dbraw/zinc/70/30/28/427703028.db2.gz ITQJECMNXLMGBD-CALCHBBNSA-N 1 3 302.462 2.991 20 0 DFADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)C1CCN(CC(F)(F)F)CC1 ZINC000339162414 427711248 /nfs/dbraw/zinc/71/12/48/427711248.db2.gz BSBIKBXMLIKPKZ-DZGCQCFKSA-N 1 3 321.431 2.723 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000339175336 427717863 /nfs/dbraw/zinc/71/78/63/427717863.db2.gz XCPVFNWSSBZAEV-IRXDYDNUSA-N 1 3 310.482 2.964 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[NH+](CC)CC)c1ccsc1 ZINC000299234866 427762571 /nfs/dbraw/zinc/76/25/71/427762571.db2.gz GOVPZUZGSLUIID-OAHLLOKOSA-N 1 3 311.495 2.589 20 0 DFADHO CCN(CC)CC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000299234866 427762574 /nfs/dbraw/zinc/76/25/74/427762574.db2.gz GOVPZUZGSLUIID-OAHLLOKOSA-N 1 3 311.495 2.589 20 0 DFADHO COc1ccc(OCCCN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000339433233 427773650 /nfs/dbraw/zinc/77/36/50/427773650.db2.gz CTWCPXFYNWKADH-LJQANCHMSA-N 1 3 318.461 2.882 20 0 DFADHO COc1ccc(OCCCN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000339433233 427773652 /nfs/dbraw/zinc/77/36/52/427773652.db2.gz CTWCPXFYNWKADH-LJQANCHMSA-N 1 3 318.461 2.882 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCC=CO3)CC2)C[C@H](C)O1 ZINC000194048710 427728647 /nfs/dbraw/zinc/72/86/47/427728647.db2.gz FJWMAJDVWRUWCU-SCTDSRPQSA-N 1 3 322.493 2.890 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(C)(C)C1CC1 ZINC000339655954 427807928 /nfs/dbraw/zinc/80/79/28/427807928.db2.gz XWMFBANZZSHCSL-KRWDZBQOSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(C)(C)C1CC1 ZINC000339655954 427807930 /nfs/dbraw/zinc/80/79/30/427807930.db2.gz XWMFBANZZSHCSL-KRWDZBQOSA-N 1 3 323.525 2.687 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+](C)CCCN1CCCC1 ZINC000337279239 427829901 /nfs/dbraw/zinc/82/99/01/427829901.db2.gz TZZGVBFVCCBRDC-UHFFFAOYSA-N 1 3 321.440 2.880 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+](C)CCCN1CCCC1 ZINC000337279239 427829904 /nfs/dbraw/zinc/82/99/04/427829904.db2.gz TZZGVBFVCCBRDC-UHFFFAOYSA-N 1 3 321.440 2.880 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H]1CCCOc2ccccc21 ZINC000349661523 427838520 /nfs/dbraw/zinc/83/85/20/427838520.db2.gz GFVWBMLMDMESJD-QGZVFWFLSA-N 1 3 306.450 2.848 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C[C@H]1C ZINC000359408047 427839953 /nfs/dbraw/zinc/83/99/53/427839953.db2.gz JWPSYFHWKNUAHZ-BPKGMFCQSA-N 1 3 308.466 2.571 20 0 DFADHO CC[C@@H]1C[C@@H](C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000355675762 427843599 /nfs/dbraw/zinc/84/35/99/427843599.db2.gz WANNRHCLHMVYMG-XWTMOSNGSA-N 1 3 312.498 2.671 20 0 DFADHO CC(C)OC[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000337321644 427844585 /nfs/dbraw/zinc/84/45/85/427844585.db2.gz ZOYYTHCKJYASJT-VQIMIIECSA-N 1 3 320.477 2.546 20 0 DFADHO CC(C)OC[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000337321644 427844588 /nfs/dbraw/zinc/84/45/88/427844588.db2.gz ZOYYTHCKJYASJT-VQIMIIECSA-N 1 3 320.477 2.546 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@@]1(C)CCCO1 ZINC000340459198 427851509 /nfs/dbraw/zinc/85/15/09/427851509.db2.gz CNGCEQASDPKQGD-MAUKXSAKSA-N 1 3 306.450 2.674 20 0 DFADHO Cc1c[nH+]ccc1NCC1(N2CCSCC2)CCCCC1 ZINC000359495334 427876243 /nfs/dbraw/zinc/87/62/43/427876243.db2.gz BUOVGZKPVBWSHR-UHFFFAOYSA-N 1 3 305.491 2.976 20 0 DFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)N1CCCCCC1 ZINC000345775765 427900648 /nfs/dbraw/zinc/90/06/48/427900648.db2.gz JENALPSPENXELU-XDNAFOTISA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)N1CCCCCC1 ZINC000345775765 427900651 /nfs/dbraw/zinc/90/06/51/427900651.db2.gz JENALPSPENXELU-XDNAFOTISA-N 1 3 323.525 2.734 20 0 DFADHO CC[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000359660995 427959783 /nfs/dbraw/zinc/95/97/83/427959783.db2.gz DXIXTGYZANKKGE-PWIZWCRZSA-N 1 3 315.505 2.896 20 0 DFADHO CC(C)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)N(C)C ZINC000340953117 427962406 /nfs/dbraw/zinc/96/24/06/427962406.db2.gz MGSIMVWOBGFADM-KRWDZBQOSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337599527 427976219 /nfs/dbraw/zinc/97/62/19/427976219.db2.gz MYYAOARHSQXFEJ-DJIMGWMZSA-N 1 3 316.445 2.953 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337599527 427976224 /nfs/dbraw/zinc/97/62/24/427976224.db2.gz MYYAOARHSQXFEJ-DJIMGWMZSA-N 1 3 316.445 2.953 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000337599527 427976227 /nfs/dbraw/zinc/97/62/27/427976227.db2.gz MYYAOARHSQXFEJ-DJIMGWMZSA-N 1 3 316.445 2.953 20 0 DFADHO C[C@@H]1C[N@@H+](CC2CCN(CCc3cscn3)CC2)C[C@H](C)O1 ZINC000340282484 427976599 /nfs/dbraw/zinc/97/65/99/427976599.db2.gz KSHWZABRERUOIJ-GASCZTMLSA-N 1 3 323.506 2.507 20 0 DFADHO C[C@@H]1C[N@H+](CC2CCN(CCc3cscn3)CC2)C[C@H](C)O1 ZINC000340282484 427976603 /nfs/dbraw/zinc/97/66/03/427976603.db2.gz KSHWZABRERUOIJ-GASCZTMLSA-N 1 3 323.506 2.507 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000340914160 427951699 /nfs/dbraw/zinc/95/16/99/427951699.db2.gz LVBQHLAJPDFFTL-JKSUJKDBSA-N 1 3 317.481 2.667 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000340914160 427951703 /nfs/dbraw/zinc/95/17/03/427951703.db2.gz LVBQHLAJPDFFTL-JKSUJKDBSA-N 1 3 317.481 2.667 20 0 DFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC1CCN(CC(F)F)CC1 ZINC000341371199 428049877 /nfs/dbraw/zinc/04/98/77/428049877.db2.gz SEAQMNTUYSFXJX-INIZCTEOSA-N 1 3 317.468 2.816 20 0 DFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC1CCN(CC(F)F)CC1 ZINC000341371199 428049879 /nfs/dbraw/zinc/04/98/79/428049879.db2.gz SEAQMNTUYSFXJX-INIZCTEOSA-N 1 3 317.468 2.816 20 0 DFADHO CC(C)[NH+](CCNC1CCN(Cc2ccccn2)CC1)C(C)C ZINC000341382122 428054419 /nfs/dbraw/zinc/05/44/19/428054419.db2.gz LOIROZQNKCCVPN-UHFFFAOYSA-N 1 3 318.509 2.754 20 0 DFADHO C[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)N1CCCCCC1 ZINC000346225526 428078598 /nfs/dbraw/zinc/07/85/98/428078598.db2.gz ULWIUZAVDIQZEE-IRXDYDNUSA-N 1 3 309.498 2.584 20 0 DFADHO C[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)N1CCCCCC1 ZINC000346225526 428078604 /nfs/dbraw/zinc/07/86/04/428078604.db2.gz ULWIUZAVDIQZEE-IRXDYDNUSA-N 1 3 309.498 2.584 20 0 DFADHO C[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)N1CCCCCC1 ZINC000346225516 428079485 /nfs/dbraw/zinc/07/94/85/428079485.db2.gz ULWIUZAVDIQZEE-DLBZAZTESA-N 1 3 309.498 2.584 20 0 DFADHO C[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)N1CCCCCC1 ZINC000346225516 428079491 /nfs/dbraw/zinc/07/94/91/428079491.db2.gz ULWIUZAVDIQZEE-DLBZAZTESA-N 1 3 309.498 2.584 20 0 DFADHO CCOCCOCc1cccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000359944982 428088555 /nfs/dbraw/zinc/08/85/55/428088555.db2.gz WJJDVDGCPVTGJO-VQIMIIECSA-N 1 3 320.477 2.670 20 0 DFADHO CCOCCOCc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000359944982 428088559 /nfs/dbraw/zinc/08/85/59/428088559.db2.gz WJJDVDGCPVTGJO-VQIMIIECSA-N 1 3 320.477 2.670 20 0 DFADHO CC[C@H](C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)N(C)C ZINC000413717076 428117665 /nfs/dbraw/zinc/11/76/65/428117665.db2.gz VLBCSKFDAWYRAB-QZTJIDSGSA-N 1 3 319.493 2.599 20 0 DFADHO CC[C@H](C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)N(C)C ZINC000413717076 428117667 /nfs/dbraw/zinc/11/76/67/428117667.db2.gz VLBCSKFDAWYRAB-QZTJIDSGSA-N 1 3 319.493 2.599 20 0 DFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)C(C)C)CC1 ZINC000360025017 428122694 /nfs/dbraw/zinc/12/26/94/428122694.db2.gz QTKFHHYRWBIOIP-KRWDZBQOSA-N 1 3 303.494 2.958 20 0 DFADHO CCCC(=O)Nc1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000360026344 428123550 /nfs/dbraw/zinc/12/35/50/428123550.db2.gz YFZGNUNFOZFGOZ-PBHICJAKSA-N 1 3 303.450 2.855 20 0 DFADHO CCCC(=O)Nc1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000360026344 428123564 /nfs/dbraw/zinc/12/35/64/428123564.db2.gz YFZGNUNFOZFGOZ-PBHICJAKSA-N 1 3 303.450 2.855 20 0 DFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)C(C)C)cc2)CC1 ZINC000360028535 428126052 /nfs/dbraw/zinc/12/60/52/428126052.db2.gz FZVMZULVHDNPAX-KRWDZBQOSA-N 1 3 303.494 2.958 20 0 DFADHO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000377628941 428175453 /nfs/dbraw/zinc/17/54/53/428175453.db2.gz OYTILZSQKMYQOK-AZUAARDMSA-N 1 3 319.537 2.938 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(-c3cc[nH]n3)o1)C2 ZINC000377632209 428179586 /nfs/dbraw/zinc/17/95/86/428179586.db2.gz VTWIMABSSZYQPQ-PBWFPOADSA-N 1 3 300.406 2.727 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(-c3cc[nH]n3)o1)C2 ZINC000377632209 428179592 /nfs/dbraw/zinc/17/95/92/428179592.db2.gz VTWIMABSSZYQPQ-PBWFPOADSA-N 1 3 300.406 2.727 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1C[C@H]1C ZINC000414114628 428210806 /nfs/dbraw/zinc/21/08/06/428210806.db2.gz LXCNNRRBKQUQGC-ZRGWGRIASA-N 1 3 302.462 2.777 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)cn1 ZINC000414124922 428212835 /nfs/dbraw/zinc/21/28/35/428212835.db2.gz CKLYCCNTVAMJQM-HZPDHXFCSA-N 1 3 305.466 2.875 20 0 DFADHO COc1ccc(C[C@@H](C)NCC[C@@H](C)[NH+]2CCCCC2)cn1 ZINC000414124922 428212841 /nfs/dbraw/zinc/21/28/41/428212841.db2.gz CKLYCCNTVAMJQM-HZPDHXFCSA-N 1 3 305.466 2.875 20 0 DFADHO Cc1ccc(O)c(CNC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000377758245 428219315 /nfs/dbraw/zinc/21/93/15/428219315.db2.gz BYOHNZNJLSIGQU-QFBILLFUSA-N 1 3 311.429 2.878 20 0 DFADHO Cc1ccc(O)c(CNC[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000377758245 428219322 /nfs/dbraw/zinc/21/93/22/428219322.db2.gz BYOHNZNJLSIGQU-QFBILLFUSA-N 1 3 311.429 2.878 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000370488018 428221173 /nfs/dbraw/zinc/22/11/73/428221173.db2.gz KFMAWNJSOSNOCN-ZWKOTPCHSA-N 1 3 321.509 2.585 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000370488018 428221179 /nfs/dbraw/zinc/22/11/79/428221179.db2.gz KFMAWNJSOSNOCN-ZWKOTPCHSA-N 1 3 321.509 2.585 20 0 DFADHO Cc1nnc([C@@H]2CC23CC[NH+](CC[C@H]2CCCCN2C)CC3)o1 ZINC000370496217 428221555 /nfs/dbraw/zinc/22/15/55/428221555.db2.gz LSECVOZCYAMNBU-CVEARBPZSA-N 1 3 318.465 2.822 20 0 DFADHO COC(=O)c1csc([C@H](C)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000414184684 428227652 /nfs/dbraw/zinc/22/76/52/428227652.db2.gz OCSCKBCIGRYGEN-STQMWFEESA-N 1 3 310.463 2.917 20 0 DFADHO COC(=O)c1csc([C@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414184684 428227656 /nfs/dbraw/zinc/22/76/56/428227656.db2.gz OCSCKBCIGRYGEN-STQMWFEESA-N 1 3 310.463 2.917 20 0 DFADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1nc2ccccc2n1C ZINC000414184822 428228053 /nfs/dbraw/zinc/22/80/53/428228053.db2.gz OJMRJWOCEYEBQC-HUUCEWRRSA-N 1 3 300.450 2.956 20 0 DFADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1nc2ccccc2n1C ZINC000414184822 428228058 /nfs/dbraw/zinc/22/80/58/428228058.db2.gz OJMRJWOCEYEBQC-HUUCEWRRSA-N 1 3 300.450 2.956 20 0 DFADHO CCOC1CC(O)(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000370526109 428231545 /nfs/dbraw/zinc/23/15/45/428231545.db2.gz IMUQCFNYOQVIAW-IZIZEDOESA-N 1 3 324.509 2.549 20 0 DFADHO CCOC1CC(O)(C[NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000370526109 428231547 /nfs/dbraw/zinc/23/15/47/428231547.db2.gz IMUQCFNYOQVIAW-IZIZEDOESA-N 1 3 324.509 2.549 20 0 DFADHO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000414197685 428232125 /nfs/dbraw/zinc/23/21/25/428232125.db2.gz BWHNWXBIHSMZCO-OLMNPRSZSA-N 1 3 306.450 2.845 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)C(F)(F)F)[C@@H](C)C1 ZINC000346594796 428232287 /nfs/dbraw/zinc/23/22/87/428232287.db2.gz CLBWMZWBKUOEOE-MJBXVCDLSA-N 1 3 310.404 2.911 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)C(F)(F)F)[C@@H](C)C1 ZINC000346594796 428232291 /nfs/dbraw/zinc/23/22/91/428232291.db2.gz CLBWMZWBKUOEOE-MJBXVCDLSA-N 1 3 310.404 2.911 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCN[C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000414203568 428232755 /nfs/dbraw/zinc/23/27/55/428232755.db2.gz ZMAHWBZBQSELPU-XJKSGUPXSA-N 1 3 319.424 2.921 20 0 DFADHO C[N@H+]1CCC[C@@H](CCN[C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000414203568 428232760 /nfs/dbraw/zinc/23/27/60/428232760.db2.gz ZMAHWBZBQSELPU-XJKSGUPXSA-N 1 3 319.424 2.921 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000352770616 428240339 /nfs/dbraw/zinc/24/03/39/428240339.db2.gz NEUZNUPYPRCJBV-KBAYOESNSA-N 1 3 322.880 2.832 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000352770616 428240343 /nfs/dbraw/zinc/24/03/43/428240343.db2.gz NEUZNUPYPRCJBV-KBAYOESNSA-N 1 3 322.880 2.832 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000352770616 428240348 /nfs/dbraw/zinc/24/03/48/428240348.db2.gz NEUZNUPYPRCJBV-KBAYOESNSA-N 1 3 322.880 2.832 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000352770616 428240353 /nfs/dbraw/zinc/24/03/53/428240353.db2.gz NEUZNUPYPRCJBV-KBAYOESNSA-N 1 3 322.880 2.832 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370676900 428271267 /nfs/dbraw/zinc/27/12/67/428271267.db2.gz PERYGMJGVJJUKA-GUDVDZBRSA-N 1 3 320.452 2.990 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370676900 428271274 /nfs/dbraw/zinc/27/12/74/428271274.db2.gz PERYGMJGVJJUKA-GUDVDZBRSA-N 1 3 320.452 2.990 20 0 DFADHO Cc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1C ZINC000370695410 428274864 /nfs/dbraw/zinc/27/48/64/428274864.db2.gz AFFIDKZXOIEKPC-ICSRJNTNSA-N 1 3 315.505 2.761 20 0 DFADHO CSc1ccc(CNCCN2CCC([NH+](C)C)CC2)s1 ZINC000352841556 428275409 /nfs/dbraw/zinc/27/54/09/428275409.db2.gz TYJNRQLXCHWFLD-UHFFFAOYSA-N 1 3 313.536 2.586 20 0 DFADHO Cc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1 ZINC000370706674 428277965 /nfs/dbraw/zinc/27/79/65/428277965.db2.gz CCVVOHMTZNQXGA-QUCCMNQESA-N 1 3 315.505 2.761 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC[C@@H](CO)c2ccc(F)cc2)CC1 ZINC000414285354 428250371 /nfs/dbraw/zinc/25/03/71/428250371.db2.gz HWPXPKDUSCQGTN-HNNXBMFYSA-N 1 3 308.441 2.754 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@@H](CO)c2ccc(F)cc2)CC1 ZINC000414285354 428250375 /nfs/dbraw/zinc/25/03/75/428250375.db2.gz HWPXPKDUSCQGTN-HNNXBMFYSA-N 1 3 308.441 2.754 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000370612375 428252503 /nfs/dbraw/zinc/25/25/03/428252503.db2.gz LXZQJGPJHGBHQD-GOSISDBHSA-N 1 3 315.461 2.809 20 0 DFADHO CCN(CC)c1ncc(CN2CCC(CC[NH2+]C)CC2)s1 ZINC000346642511 428254301 /nfs/dbraw/zinc/25/43/01/428254301.db2.gz CGNFKXYGPNVKMF-UHFFFAOYSA-N 1 3 310.511 2.811 20 0 DFADHO CC[C@@H]1CC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414310347 428257097 /nfs/dbraw/zinc/25/70/97/428257097.db2.gz SWCLKPIHPBLPCL-MSOLQXFVSA-N 1 3 302.462 2.792 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000370879056 428313502 /nfs/dbraw/zinc/31/35/02/428313502.db2.gz LAMKOGNFAKQSRG-ZHALLVOQSA-N 1 3 305.510 2.810 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000370879056 428313506 /nfs/dbraw/zinc/31/35/06/428313506.db2.gz LAMKOGNFAKQSRG-ZHALLVOQSA-N 1 3 305.510 2.810 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000346788177 428316860 /nfs/dbraw/zinc/31/68/60/428316860.db2.gz HBMGYFPBRQHICT-TXPKVOOTSA-N 1 3 319.493 2.760 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H](C)CCOC)CC1 ZINC000414489892 428319610 /nfs/dbraw/zinc/31/96/10/428319610.db2.gz ZYDQDHOGYBOMFB-QGZVFWFLSA-N 1 3 319.493 2.591 20 0 DFADHO CCOc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346824914 428331203 /nfs/dbraw/zinc/33/12/03/428331203.db2.gz CZBINFMAGZLQIT-JYJNAYRXSA-N 1 3 304.434 2.653 20 0 DFADHO CCOc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346824915 428332979 /nfs/dbraw/zinc/33/29/79/428332979.db2.gz CZBINFMAGZLQIT-XHSDSOJGSA-N 1 3 304.434 2.653 20 0 DFADHO CC(C)n1ncc2cc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cnc21 ZINC000346829890 428335011 /nfs/dbraw/zinc/33/50/11/428335011.db2.gz OJQYUUCAKDFRKU-USXIJHARSA-N 1 3 313.449 2.571 20 0 DFADHO C[C@@H]([NH2+]Cc1ccccc1OCCN(C)C)[C@@H]1CCCOC1 ZINC000356848843 428337070 /nfs/dbraw/zinc/33/70/70/428337070.db2.gz PDQFDEUXSJCSEQ-NVXWUHKLSA-N 1 3 306.450 2.532 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(Oc4cnccn4)cc3)C[C@@H]21 ZINC000346839749 428338931 /nfs/dbraw/zinc/33/89/31/428338931.db2.gz SVUSKJODPMJGPB-RYQLBKOJSA-N 1 3 324.428 2.828 20 0 DFADHO C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000356858321 428340076 /nfs/dbraw/zinc/34/00/76/428340076.db2.gz XMHBDMBYEDPJSB-GSEOLPGOSA-N 1 3 324.472 2.772 20 0 DFADHO CCOCc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346844745 428341628 /nfs/dbraw/zinc/34/16/28/428341628.db2.gz JWHIPOSZAJCDDH-CGTJXYLNSA-N 1 3 318.461 2.791 20 0 DFADHO c1nc(C2CC2)ncc1CCNC1CC[NH+](C2CCCC2)CC1 ZINC000378400051 428388483 /nfs/dbraw/zinc/38/84/83/428388483.db2.gz HCSBABJOSFYTOF-UHFFFAOYSA-N 1 3 314.477 2.893 20 0 DFADHO c1nc(C2CC2)ncc1CC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000378400051 428388487 /nfs/dbraw/zinc/38/84/87/428388487.db2.gz HCSBABJOSFYTOF-UHFFFAOYSA-N 1 3 314.477 2.893 20 0 DFADHO FC(F)(F)c1ccn(C2CCN(C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000346972546 428389531 /nfs/dbraw/zinc/38/95/31/428389531.db2.gz HUJDUFWLHGFAEC-LBPRGKRZSA-N 1 3 316.371 2.538 20 0 DFADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC[C@H](CC[NH3+])C1 ZINC000414737282 428391442 /nfs/dbraw/zinc/39/14/42/428391442.db2.gz NMJILZCPYNRUIH-OAHLLOKOSA-N 1 3 316.424 2.881 20 0 DFADHO c1nc(-c2ccccn2)sc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414768633 428398136 /nfs/dbraw/zinc/39/81/36/428398136.db2.gz MDDPDLJOMZBZOI-OKILXGFUSA-N 1 3 314.458 2.637 20 0 DFADHO CC(C)N(C)c1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414773634 428400132 /nfs/dbraw/zinc/40/01/32/428400132.db2.gz DQBOIRYDEGGWKF-ZWKOTPCHSA-N 1 3 316.493 2.748 20 0 DFADHO COc1ccc2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)sc2c1 ZINC000414773239 428401216 /nfs/dbraw/zinc/40/12/16/428401216.db2.gz WVLNHNOBQVLVRN-BETUJISGSA-N 1 3 317.458 2.736 20 0 DFADHO [NH3+]C[C@H]1CN(Cc2ccc(C3CC3)cc2)CC12CCOCC2 ZINC000414783543 428407910 /nfs/dbraw/zinc/40/79/10/428407910.db2.gz QATCYVYYCYPAAK-SFHVURJKSA-N 1 3 300.446 2.751 20 0 DFADHO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C1CCNCC1 ZINC000414785765 428408722 /nfs/dbraw/zinc/40/87/22/428408722.db2.gz WCPLERWKVIAQOB-JTQLQIEISA-N 1 3 315.230 2.861 20 0 DFADHO C[C@@H](Cc1ccc(Br)cc1F)NC1CC[NH2+]CC1 ZINC000414785765 428408730 /nfs/dbraw/zinc/40/87/30/428408730.db2.gz WCPLERWKVIAQOB-JTQLQIEISA-N 1 3 315.230 2.861 20 0 DFADHO CC(C)[C@@H](N)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414786854 428409187 /nfs/dbraw/zinc/40/91/87/428409187.db2.gz BLGPMSSJJOTJLK-KRWDZBQOSA-N 1 3 309.885 2.877 20 0 DFADHO CC(C)[C@@H]([NH3+])CNC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414786854 428409195 /nfs/dbraw/zinc/40/91/95/428409195.db2.gz BLGPMSSJJOTJLK-KRWDZBQOSA-N 1 3 309.885 2.877 20 0 DFADHO CC(C)[C@H](N)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414786855 428409332 /nfs/dbraw/zinc/40/93/32/428409332.db2.gz BLGPMSSJJOTJLK-QGZVFWFLSA-N 1 3 309.885 2.877 20 0 DFADHO CC(C)[C@H]([NH3+])CNC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414786855 428409337 /nfs/dbraw/zinc/40/93/37/428409337.db2.gz BLGPMSSJJOTJLK-QGZVFWFLSA-N 1 3 309.885 2.877 20 0 DFADHO CCc1cccnc1[C@@H](C)[NH2+]C[C@@H](C)CN1CCN(CC)CC1 ZINC000356908430 428357638 /nfs/dbraw/zinc/35/76/38/428357638.db2.gz XPGHKGGPJJSYDY-IAGOWNOFSA-N 1 3 318.509 2.568 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H]2C(F)F)CC1 ZINC000342224675 428358770 /nfs/dbraw/zinc/35/87/70/428358770.db2.gz JBHBXWYJZNPRRC-HUUCEWRRSA-N 1 3 309.404 2.572 20 0 DFADHO COc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357050392 428374777 /nfs/dbraw/zinc/37/47/77/428374777.db2.gz MLDOATJBXCGVDJ-MRXNPFEDSA-N 1 3 304.434 2.525 20 0 DFADHO CC(C)[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414688523 428376986 /nfs/dbraw/zinc/37/69/86/428376986.db2.gz DRDYLJGNVNKWLP-QFBILLFUSA-N 1 3 317.477 2.513 20 0 DFADHO CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414688523 428376990 /nfs/dbraw/zinc/37/69/90/428376990.db2.gz DRDYLJGNVNKWLP-QFBILLFUSA-N 1 3 317.477 2.513 20 0 DFADHO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000353081717 428378688 /nfs/dbraw/zinc/37/86/88/428378688.db2.gz OEPQHUVKVKGWIK-YZGWKJHDSA-N 1 3 315.505 2.828 20 0 DFADHO C[C@H](c1ccsc1)N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414714859 428383219 /nfs/dbraw/zinc/38/32/19/428383219.db2.gz QLAYUEOWCFUBLD-OAGGEKHMSA-N 1 3 307.507 2.815 20 0 DFADHO C[C@H]1C[C@@H](CN2CCc3c(cnn3-c3ccccc3)C2)CC[NH2+]1 ZINC000414713067 428383682 /nfs/dbraw/zinc/38/36/82/428383682.db2.gz VQQWUIFWQDRTFR-HOTGVXAUSA-N 1 3 310.445 2.619 20 0 DFADHO C[C@H](Cc1ccc(Br)c(F)c1)NCC1([NH3+])CCC1 ZINC000414879983 428444163 /nfs/dbraw/zinc/44/41/63/428444163.db2.gz QEEVVUKOJBZAHV-SNVBAGLBSA-N 1 3 315.230 2.990 20 0 DFADHO C[C@@H]([NH3+])C1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000347099990 428444786 /nfs/dbraw/zinc/44/47/86/428444786.db2.gz JYXNQUQLVOCYEU-GFCCVEGCSA-N 1 3 302.397 2.775 20 0 DFADHO COCCOC[C@H](C)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357241510 428450991 /nfs/dbraw/zinc/45/09/91/428450991.db2.gz XLJYWNRVKYSNNL-LNLFQRSKSA-N 1 3 320.477 2.538 20 0 DFADHO COCCOC[C@H](C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357241510 428450994 /nfs/dbraw/zinc/45/09/94/428450994.db2.gz XLJYWNRVKYSNNL-LNLFQRSKSA-N 1 3 320.477 2.538 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414920064 428456692 /nfs/dbraw/zinc/45/66/92/428456692.db2.gz YLCKYERDFOGZKZ-MSOLQXFVSA-N 1 3 308.441 2.753 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414920064 428456697 /nfs/dbraw/zinc/45/66/97/428456697.db2.gz YLCKYERDFOGZKZ-MSOLQXFVSA-N 1 3 308.441 2.753 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NC[C@]2(C)CCC[NH2+]C2)c1C ZINC000414919146 428456933 /nfs/dbraw/zinc/45/69/33/428456933.db2.gz WGYXADVMBZCIPD-DNVCBOLYSA-N 1 3 317.477 3.000 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(C)CCCNC2)c1C ZINC000414919146 428456940 /nfs/dbraw/zinc/45/69/40/428456940.db2.gz WGYXADVMBZCIPD-DNVCBOLYSA-N 1 3 317.477 3.000 20 0 DFADHO Cc1csc(N2CCC(NC[C@H]3[NH2+]CCCC3(C)C)CC2)n1 ZINC000414921083 428460137 /nfs/dbraw/zinc/46/01/37/428460137.db2.gz ARJSAPJEFGTQOO-OAHLLOKOSA-N 1 3 322.522 2.788 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C[C@H]2C)c1C ZINC000414934544 428463151 /nfs/dbraw/zinc/46/31/51/428463151.db2.gz FDWRCTYUCVUSCX-IJEWVQPXSA-N 1 3 303.450 2.608 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)c1C ZINC000414934544 428463154 /nfs/dbraw/zinc/46/31/54/428463154.db2.gz FDWRCTYUCVUSCX-IJEWVQPXSA-N 1 3 303.450 2.608 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C[C@@H]2C)c(Cl)c1 ZINC000414940901 428463637 /nfs/dbraw/zinc/46/36/37/428463637.db2.gz KZBQVRNORHGXJW-YDHLFZDLSA-N 1 3 323.868 2.953 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)c(Cl)c1 ZINC000414940901 428463641 /nfs/dbraw/zinc/46/36/41/428463641.db2.gz KZBQVRNORHGXJW-YDHLFZDLSA-N 1 3 323.868 2.953 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCN1 ZINC000414944855 428466270 /nfs/dbraw/zinc/46/62/70/428466270.db2.gz HLGSNUWDFIJJNK-RWQQGDIJSA-N 1 3 301.478 2.770 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414945541 428466571 /nfs/dbraw/zinc/46/65/71/428466571.db2.gz RUQURMMYKLQPFK-VNHYZAJKSA-N 1 3 323.868 2.953 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414945541 428466574 /nfs/dbraw/zinc/46/65/74/428466574.db2.gz RUQURMMYKLQPFK-VNHYZAJKSA-N 1 3 323.868 2.953 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414947974 428466842 /nfs/dbraw/zinc/46/68/42/428466842.db2.gz LPLPTYHYFVJCCZ-IMJJTQAJSA-N 1 3 306.450 2.755 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414947974 428466846 /nfs/dbraw/zinc/46/68/46/428466846.db2.gz LPLPTYHYFVJCCZ-IMJJTQAJSA-N 1 3 306.450 2.755 20 0 DFADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])C2CC2)cc1 ZINC000414797359 428416265 /nfs/dbraw/zinc/41/62/65/428416265.db2.gz IOGOOVZVCRNRTM-CXAGYDPISA-N 1 3 303.450 2.854 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414811047 428418076 /nfs/dbraw/zinc/41/80/76/428418076.db2.gz VZFUKIZCTARTSI-VNQPRFMTSA-N 1 3 304.434 2.844 20 0 DFADHO CC(C)(N)C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414805338 428418350 /nfs/dbraw/zinc/41/83/50/428418350.db2.gz OPOQZWSLKQBGJH-UHFFFAOYSA-N 1 3 312.339 2.718 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CC2)cc1Cl ZINC000414812196 428419016 /nfs/dbraw/zinc/41/90/16/428419016.db2.gz XCGNQIKUHWTRGU-ABAIWWIYSA-N 1 3 309.841 2.692 20 0 DFADHO C[C@@H]([NH3+])CCN[C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414819835 428422752 /nfs/dbraw/zinc/42/27/52/428422752.db2.gz IKAZPCGZDSPURG-NXEZZACHSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@@H](N)CC[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414819835 428422755 /nfs/dbraw/zinc/42/27/55/428422755.db2.gz IKAZPCGZDSPURG-NXEZZACHSA-N 1 3 303.219 2.846 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])C2CC2)c(Cl)c1 ZINC000414812636 428422777 /nfs/dbraw/zinc/42/27/77/428422777.db2.gz XQNNLAHNAJJTQM-XHDPSFHLSA-N 1 3 309.841 2.692 20 0 DFADHO CCCC[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000414816779 428422972 /nfs/dbraw/zinc/42/29/72/428422972.db2.gz QPHFBIODXSWBNZ-HIFRSBDPSA-N 1 3 307.438 2.519 20 0 DFADHO COCC[C@@H](Cc1cccc(F)c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414822267 428423544 /nfs/dbraw/zinc/42/35/44/428423544.db2.gz CNKWMBUEGLOZEU-KTGAGVNESA-N 1 3 306.425 2.646 20 0 DFADHO CSC1(CNCc2scnc2C2CC2)CC[NH+](C)CC1 ZINC000353192146 428423929 /nfs/dbraw/zinc/42/39/29/428423929.db2.gz PZJUWCDXDRJGHP-UHFFFAOYSA-N 1 3 311.520 2.938 20 0 DFADHO CSC1(C[NH2+]Cc2scnc2C2CC2)CCN(C)CC1 ZINC000353192146 428423935 /nfs/dbraw/zinc/42/39/35/428423935.db2.gz PZJUWCDXDRJGHP-UHFFFAOYSA-N 1 3 311.520 2.938 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000347049357 428424202 /nfs/dbraw/zinc/42/42/02/428424202.db2.gz WMJYZRVHBFEGPK-DOTOQJQBSA-N 1 3 319.493 2.881 20 0 DFADHO C[C@@H]([NH3+])CCN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414824123 428425148 /nfs/dbraw/zinc/42/51/48/428425148.db2.gz QAZGGYKUPLHWDT-MNOVXSKESA-N 1 3 317.355 2.749 20 0 DFADHO COC(=O)c1ccc(Cl)c(CNCC[C@H]2CCC[NH2+]C2)c1 ZINC000414835895 428427327 /nfs/dbraw/zinc/42/73/27/428427327.db2.gz IRVPNQUPCNPGER-GFCCVEGCSA-N 1 3 310.825 2.606 20 0 DFADHO CN(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360758271 428427479 /nfs/dbraw/zinc/42/74/79/428427479.db2.gz GCKRYMIMYZFUFM-XEYPJELSSA-N 1 3 313.489 2.821 20 0 DFADHO CN(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360758271 428427482 /nfs/dbraw/zinc/42/74/82/428427482.db2.gz GCKRYMIMYZFUFM-XEYPJELSSA-N 1 3 313.489 2.821 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC1(N)CCCCC1 ZINC000414836080 428428053 /nfs/dbraw/zinc/42/80/53/428428053.db2.gz FFVRBIBZXDSHKM-ZDUSSCGKSA-N 1 3 307.413 2.794 20 0 DFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCCC2)cc1 ZINC000414844699 428429120 /nfs/dbraw/zinc/42/91/20/428429120.db2.gz QDGSWVUFTPZLJJ-CQSZACIVSA-N 1 3 319.449 2.664 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414838511 428430425 /nfs/dbraw/zinc/43/04/25/428430425.db2.gz WYVCYCTXAYOTQN-KBPBESRZSA-N 1 3 323.868 2.955 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCNC2)cc1Cl ZINC000414838511 428430430 /nfs/dbraw/zinc/43/04/30/428430430.db2.gz WYVCYCTXAYOTQN-KBPBESRZSA-N 1 3 323.868 2.955 20 0 DFADHO Cc1ccnc(NC[C@H]2CCN(CC[NH+]3CCCCC3)C2)c1 ZINC000372662715 428481523 /nfs/dbraw/zinc/48/15/23/428481523.db2.gz CQXCASOWOMERFL-QGZVFWFLSA-N 1 3 302.466 2.610 20 0 DFADHO Cc1ccnc(NC[C@H]2CC[N@H+](CCN3CCCCC3)C2)c1 ZINC000372662715 428481529 /nfs/dbraw/zinc/48/15/29/428481529.db2.gz CQXCASOWOMERFL-QGZVFWFLSA-N 1 3 302.466 2.610 20 0 DFADHO Cc1ccnc(NC[C@H]2CC[N@@H+](CCN3CCCCC3)C2)c1 ZINC000372662715 428481535 /nfs/dbraw/zinc/48/15/35/428481535.db2.gz CQXCASOWOMERFL-QGZVFWFLSA-N 1 3 302.466 2.610 20 0 DFADHO CCOC(=O)CCCCC[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000393343839 428484002 /nfs/dbraw/zinc/48/40/02/428484002.db2.gz CLZIVMBBMXKPIC-MSOLQXFVSA-N 1 3 318.461 2.784 20 0 DFADHO CCOC(=O)CCCCC[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000393343839 428484005 /nfs/dbraw/zinc/48/40/05/428484005.db2.gz CLZIVMBBMXKPIC-MSOLQXFVSA-N 1 3 318.461 2.784 20 0 DFADHO CCOC(=O)CCCCCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000393343839 428484011 /nfs/dbraw/zinc/48/40/11/428484011.db2.gz CLZIVMBBMXKPIC-MSOLQXFVSA-N 1 3 318.461 2.784 20 0 DFADHO COc1ccc(OC(F)F)c(CN[C@@H](C)CCCC[NH3+])c1 ZINC000415007711 428487709 /nfs/dbraw/zinc/48/77/09/428487709.db2.gz CADKNJGZKFIMOR-NSHDSACASA-N 1 3 302.365 2.904 20 0 DFADHO COc1ccc([C@@H](C)C[NH+]2CCC(N(C)C[C@H](C)O)CC2)cc1 ZINC000342919312 428489112 /nfs/dbraw/zinc/48/91/12/428489112.db2.gz UCDJGASLHKXKLE-HOTGVXAUSA-N 1 3 320.477 2.576 20 0 DFADHO Clc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CNCCCO2)cc1 ZINC000415037304 428495163 /nfs/dbraw/zinc/49/51/63/428495163.db2.gz KWMZGITXGWYXME-IXDOHACOSA-N 1 3 308.853 2.944 20 0 DFADHO Clc1ccc([C@@H]2CCC[C@H]2NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000415037304 428495166 /nfs/dbraw/zinc/49/51/66/428495166.db2.gz KWMZGITXGWYXME-IXDOHACOSA-N 1 3 308.853 2.944 20 0 DFADHO [NH3+]C[C@@H]1CC[C@H](NCc2c(F)ccc(Br)c2F)C1 ZINC000415038883 428495469 /nfs/dbraw/zinc/49/54/69/428495469.db2.gz NUDXPQLTXHBWRE-BDAKNGLRSA-N 1 3 319.193 2.944 20 0 DFADHO C[C@@H](C[NH2+][C@@H]1CNC[C@H]1c1ccccc1)CC1CCOCC1 ZINC000415038215 428495571 /nfs/dbraw/zinc/49/55/71/428495571.db2.gz HTTKOPNLMGGBDK-AYOQOUSVSA-N 1 3 302.462 2.784 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415053489 428501889 /nfs/dbraw/zinc/50/18/89/428501889.db2.gz KBRZFKWXIVWARJ-SPYBWZPUSA-N 1 3 317.477 2.883 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415053489 428501895 /nfs/dbraw/zinc/50/18/95/428501895.db2.gz KBRZFKWXIVWARJ-SPYBWZPUSA-N 1 3 317.477 2.883 20 0 DFADHO OC1(C[NH2+]C[C@H]2CC=CCC2)CCN(Cc2ccccc2)CC1 ZINC000397492753 428511295 /nfs/dbraw/zinc/51/12/95/428511295.db2.gz BBGRGPIMWMKKLG-SFHVURJKSA-N 1 3 314.473 2.959 20 0 DFADHO C[C@H]1CCC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397499186 428512562 /nfs/dbraw/zinc/51/25/62/428512562.db2.gz UISMOQIGSUQZJA-WMZOPIPTSA-N 1 3 302.462 2.792 20 0 DFADHO [NH3+]CC1CCC(N[C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000415075952 428513537 /nfs/dbraw/zinc/51/35/37/428513537.db2.gz BVWPJTAVMMYIMM-PIMMBPRGSA-N 1 3 321.852 2.552 20 0 DFADHO c1nn(-c2ccccc2)cc1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415078760 428513647 /nfs/dbraw/zinc/51/36/47/428513647.db2.gz GYEZOCOROHDESQ-VAMGGRTRSA-N 1 3 324.472 2.925 20 0 DFADHO COCc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1F ZINC000353386190 428515930 /nfs/dbraw/zinc/51/59/30/428515930.db2.gz LPVFAOHKCFETMI-NXHRZFHOSA-N 1 3 306.425 2.935 20 0 DFADHO COCc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1F ZINC000353386190 428515933 /nfs/dbraw/zinc/51/59/33/428515933.db2.gz LPVFAOHKCFETMI-NXHRZFHOSA-N 1 3 306.425 2.935 20 0 DFADHO COCc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)ccc1F ZINC000353386190 428515936 /nfs/dbraw/zinc/51/59/36/428515936.db2.gz LPVFAOHKCFETMI-NXHRZFHOSA-N 1 3 306.425 2.935 20 0 DFADHO C[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000343085277 428517654 /nfs/dbraw/zinc/51/76/54/428517654.db2.gz NLLCAPGEWWZCIS-BBWFWOEESA-N 1 3 321.509 2.725 20 0 DFADHO Fc1ccc(CN2CCC([NH2+][C@@H]3CCCNCC3)CC2)cc1F ZINC000415103526 428522217 /nfs/dbraw/zinc/52/22/17/428522217.db2.gz KMNJMIJQCZQMJB-OAHLLOKOSA-N 1 3 323.431 2.661 20 0 DFADHO C[N@H+]1CC=C(CNCc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000360974272 428523068 /nfs/dbraw/zinc/52/30/68/428523068.db2.gz IETHOTADOWZZHB-UHFFFAOYSA-N 1 3 316.445 2.993 20 0 DFADHO C[N@@H+]1CC=C(CNCc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000360974272 428523070 /nfs/dbraw/zinc/52/30/70/428523070.db2.gz IETHOTADOWZZHB-UHFFFAOYSA-N 1 3 316.445 2.993 20 0 DFADHO COc1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C ZINC000415115204 428524719 /nfs/dbraw/zinc/52/47/19/428524719.db2.gz WTPYVEKNQVEKFK-PKOBYXMFSA-N 1 3 318.461 2.722 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000274256841 273870981 /nfs/dbraw/zinc/87/09/81/273870981.db2.gz JGFHFELEDRWTMB-IRXDYDNUSA-N 1 3 302.462 2.615 20 0 DFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCNCC1 ZINC000390654508 428474191 /nfs/dbraw/zinc/47/41/91/428474191.db2.gz OGYMFBNZOWRXEI-SFHVURJKSA-N 1 3 301.478 2.629 20 0 DFADHO CC(C)N1CCc2nc(CNCCC[C@@H]3CCC[NH2+]3)sc2C1 ZINC000414969756 428479094 /nfs/dbraw/zinc/47/90/94/428479094.db2.gz JKQBRAMJOSJEEY-CQSZACIVSA-N 1 3 322.522 2.531 20 0 DFADHO CN(C)CCOC1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000353545393 428587693 /nfs/dbraw/zinc/58/76/93/428587693.db2.gz DDQSNOUARKHTKK-IEBWSBKVSA-N 1 3 302.462 2.833 20 0 DFADHO c1c2ccccc2oc1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415131936 428533043 /nfs/dbraw/zinc/53/30/43/428533043.db2.gz KHVSQGGQYQOVBO-SJORKVTESA-N 1 3 312.413 2.633 20 0 DFADHO Cc1ccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000415136691 428535144 /nfs/dbraw/zinc/53/51/44/428535144.db2.gz XOKDXIMLMLJIDM-NVXWUHKLSA-N 1 3 312.461 2.812 20 0 DFADHO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000415138211 428535854 /nfs/dbraw/zinc/53/58/54/428535854.db2.gz YOZHTYQEGZMRCG-GOSISDBHSA-N 1 3 313.449 2.697 20 0 DFADHO CC(C)c1ccc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000415138211 428535859 /nfs/dbraw/zinc/53/58/59/428535859.db2.gz YOZHTYQEGZMRCG-GOSISDBHSA-N 1 3 313.449 2.697 20 0 DFADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1ccccc1-n1ccnn1 ZINC000353456324 428545581 /nfs/dbraw/zinc/54/55/81/428545581.db2.gz VIXWVUUJFQCUMN-JKSUJKDBSA-N 1 3 313.449 2.650 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1cccs1 ZINC000353456373 428546928 /nfs/dbraw/zinc/54/69/28/428546928.db2.gz VSLARSYPDMLRKM-LVQVYYBASA-N 1 3 307.507 2.813 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1cccs1 ZINC000353456373 428546931 /nfs/dbraw/zinc/54/69/31/428546931.db2.gz VSLARSYPDMLRKM-LVQVYYBASA-N 1 3 307.507 2.813 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)c1cccs1 ZINC000353456373 428546937 /nfs/dbraw/zinc/54/69/37/428546937.db2.gz VSLARSYPDMLRKM-LVQVYYBASA-N 1 3 307.507 2.813 20 0 DFADHO C[C@H](NC[C@@]1(C)CCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400811614 428547939 /nfs/dbraw/zinc/54/79/39/428547939.db2.gz YNKPJQDKDIJFAV-YTQUADARSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@H](NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400757440 428548748 /nfs/dbraw/zinc/54/87/48/428548748.db2.gz XIIYKCRLCURUST-YTQUADARSA-N 1 3 301.478 2.629 20 0 DFADHO Brc1ccsc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401033262 428550822 /nfs/dbraw/zinc/55/08/22/428550822.db2.gz XWDYNFKOTALQDH-HBNTYKKESA-N 1 3 315.280 2.988 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC1CCN(Cc2cccnc2)CC1 ZINC000353480464 428557259 /nfs/dbraw/zinc/55/72/59/428557259.db2.gz BYRZVTHYDXWAID-QGZVFWFLSA-N 1 3 318.509 2.756 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC1CCN(Cc2cccnc2)CC1 ZINC000353480464 428557263 /nfs/dbraw/zinc/55/72/63/428557263.db2.gz BYRZVTHYDXWAID-QGZVFWFLSA-N 1 3 318.509 2.756 20 0 DFADHO Cc1cncc(CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000402708801 428560095 /nfs/dbraw/zinc/56/00/95/428560095.db2.gz RJMJHNKAOUZYTJ-PKOBYXMFSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cncc(CCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000402708801 428560101 /nfs/dbraw/zinc/56/01/01/428560101.db2.gz RJMJHNKAOUZYTJ-PKOBYXMFSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cncc(CCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000402708801 428560105 /nfs/dbraw/zinc/56/01/05/428560105.db2.gz RJMJHNKAOUZYTJ-PKOBYXMFSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cncc(CC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000402708799 428560488 /nfs/dbraw/zinc/56/04/88/428560488.db2.gz RJMJHNKAOUZYTJ-IEBWSBKVSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cncc(CCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000402708799 428560492 /nfs/dbraw/zinc/56/04/92/428560492.db2.gz RJMJHNKAOUZYTJ-IEBWSBKVSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cncc(CCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000402708799 428560497 /nfs/dbraw/zinc/56/04/97/428560497.db2.gz RJMJHNKAOUZYTJ-IEBWSBKVSA-N 1 3 324.472 2.828 20 0 DFADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)[C@H]1CCN ZINC000404311287 428566312 /nfs/dbraw/zinc/56/63/12/428566312.db2.gz WPLXBCUCUYVLEB-BBRMVZONSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)[C@H]1CCN ZINC000404311287 428566314 /nfs/dbraw/zinc/56/63/14/428566314.db2.gz WPLXBCUCUYVLEB-BBRMVZONSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@H]1CCCN(CCC(=O)Nc2cccc(F)c2)[C@H]1CC[NH3+] ZINC000404311287 428566318 /nfs/dbraw/zinc/56/63/18/428566318.db2.gz WPLXBCUCUYVLEB-BBRMVZONSA-N 1 3 307.413 2.604 20 0 DFADHO OC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000353509009 428571197 /nfs/dbraw/zinc/57/11/97/428571197.db2.gz IICYVWGMVHHIJI-IYWMVGAKSA-N 1 3 314.473 2.505 20 0 DFADHO CCC1(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CCOCC1 ZINC000358482814 428604769 /nfs/dbraw/zinc/60/47/69/428604769.db2.gz LCTBYPGKPVOIHP-IRXDYDNUSA-N 1 3 312.498 2.672 20 0 DFADHO c1cc(CCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1OCC2 ZINC000373603310 428617882 /nfs/dbraw/zinc/61/78/82/428617882.db2.gz IUVMYYYWWNXFRJ-MSOLQXFVSA-N 1 3 300.446 2.771 20 0 DFADHO c1cc(CCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCC2 ZINC000373603310 428617891 /nfs/dbraw/zinc/61/78/91/428617891.db2.gz IUVMYYYWWNXFRJ-MSOLQXFVSA-N 1 3 300.446 2.771 20 0 DFADHO CNCc1ccccc1NC(=O)NCCC[NH+]1CCCCCC1 ZINC000415897814 428619552 /nfs/dbraw/zinc/61/95/52/428619552.db2.gz GMEYJQIUBUJRHV-UHFFFAOYSA-N 1 3 318.465 2.794 20 0 DFADHO C[NH2+]Cc1ccccc1NC(=O)NCCN1CCCC(C)(C)C1 ZINC000415916235 428625134 /nfs/dbraw/zinc/62/51/34/428625134.db2.gz AVMHYGVSKVVICX-UHFFFAOYSA-N 1 3 318.465 2.650 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000415925264 428627905 /nfs/dbraw/zinc/62/79/05/428627905.db2.gz XJRIMGCPDIGJJN-CQSZACIVSA-N 1 3 316.449 2.568 20 0 DFADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000344302009 428629164 /nfs/dbraw/zinc/62/91/64/428629164.db2.gz VKJGFHHWQLKSBM-XMTFNYHQSA-N 1 3 306.494 2.902 20 0 DFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CNC)c2)C1 ZINC000415943415 428633557 /nfs/dbraw/zinc/63/35/57/428633557.db2.gz LWRUNRROOLUUBK-MRXNPFEDSA-N 1 3 318.465 2.602 20 0 DFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CNC)c2)C1 ZINC000415943415 428633563 /nfs/dbraw/zinc/63/35/63/428633563.db2.gz LWRUNRROOLUUBK-MRXNPFEDSA-N 1 3 318.465 2.602 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cccc(CNC)c1 ZINC000415939039 428633770 /nfs/dbraw/zinc/63/37/70/428633770.db2.gz ZRZOEGAJLNWHSV-AWEZNQCLSA-N 1 3 306.454 2.648 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cccc(CNC)c1 ZINC000415939039 428633774 /nfs/dbraw/zinc/63/37/74/428633774.db2.gz ZRZOEGAJLNWHSV-AWEZNQCLSA-N 1 3 306.454 2.648 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CC2CCN(C)CC2)C1 ZINC000347521245 428595586 /nfs/dbraw/zinc/59/55/86/428595586.db2.gz LGTBGLYIHVEYLQ-IAGOWNOFSA-N 1 3 323.525 2.593 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000358722944 428640954 /nfs/dbraw/zinc/64/09/54/428640954.db2.gz LKWZEJBIGSLATK-JYBIWHBTSA-N 1 3 315.505 2.969 20 0 DFADHO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415984964 428642694 /nfs/dbraw/zinc/64/26/94/428642694.db2.gz ACFGCVOEOWZFJW-UHFFFAOYSA-N 1 3 318.465 2.876 20 0 DFADHO CC(C)[NH+]1CCC(NC[C@@H](CO)c2ccccc2Cl)CC1 ZINC000348208315 428658553 /nfs/dbraw/zinc/65/85/53/428658553.db2.gz STXAJCSUVGXUEU-AWEZNQCLSA-N 1 3 310.869 2.878 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000362184366 428652743 /nfs/dbraw/zinc/65/27/43/428652743.db2.gz IGTGUKRAZQTNOG-YJBOKZPZSA-N 1 3 302.462 2.969 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000362184366 428652749 /nfs/dbraw/zinc/65/27/49/428652749.db2.gz IGTGUKRAZQTNOG-YJBOKZPZSA-N 1 3 302.462 2.969 20 0 DFADHO CC(C)N(C)CC(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000373998263 428660744 /nfs/dbraw/zinc/66/07/44/428660744.db2.gz LPOXTSXSMXGISM-UHFFFAOYSA-N 1 3 323.525 2.828 20 0 DFADHO COc1ccc2nc(CNCC3CC[NH+](C)CC3)sc2c1 ZINC000353761768 428702505 /nfs/dbraw/zinc/70/25/05/428702505.db2.gz URKNXEIDBOWQNE-UHFFFAOYSA-N 1 3 305.447 2.736 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000344805174 428708229 /nfs/dbraw/zinc/70/82/29/428708229.db2.gz DKQSDAIRQBOWSJ-IYBDPMFKSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000344805174 428708232 /nfs/dbraw/zinc/70/82/32/428708232.db2.gz DKQSDAIRQBOWSJ-IYBDPMFKSA-N 1 3 309.498 2.630 20 0 DFADHO Cc1cc(F)ccc1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000374597119 428708573 /nfs/dbraw/zinc/70/85/73/428708573.db2.gz RUKSAZAMPDYYFK-INIZCTEOSA-N 1 3 319.468 2.734 20 0 DFADHO Cc1cc(F)ccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000374597119 428708576 /nfs/dbraw/zinc/70/85/76/428708576.db2.gz RUKSAZAMPDYYFK-INIZCTEOSA-N 1 3 319.468 2.734 20 0 DFADHO Cc1cc(F)ccc1CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374597119 428708581 /nfs/dbraw/zinc/70/85/81/428708581.db2.gz RUKSAZAMPDYYFK-INIZCTEOSA-N 1 3 319.468 2.734 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H](CO)c2ccccc2Cl)[C@H]2CCC[C@@H]21 ZINC000348335984 428711137 /nfs/dbraw/zinc/71/11/37/428711137.db2.gz RGULGMIACNAPOU-WCZJQEMASA-N 1 3 322.880 2.878 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H](CO)c2ccccc2Cl)[C@H]2CCC[C@@H]21 ZINC000348335984 428711144 /nfs/dbraw/zinc/71/11/44/428711144.db2.gz RGULGMIACNAPOU-WCZJQEMASA-N 1 3 322.880 2.878 20 0 DFADHO CC(C)[C@H](c1nc(-c2ccc(CN(C)C)cc2)no1)[C@H](C)[NH3+] ZINC000416398794 428731146 /nfs/dbraw/zinc/73/11/46/428731146.db2.gz FUFDNJGIUUDZQI-WFASDCNBSA-N 1 3 302.422 2.885 20 0 DFADHO CCN(Cc1ccc(C(=O)NCCCC[NH+](C)C)cc1)C1CC1 ZINC000353820156 428732589 /nfs/dbraw/zinc/73/25/89/428732589.db2.gz YCBLTGPRWLDFLJ-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CC(C)N1CCC[C@@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416201492 428690327 /nfs/dbraw/zinc/69/03/27/428690327.db2.gz GEPORBPTIOULJP-QZTJIDSGSA-N 1 3 317.477 2.668 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416233977 428694833 /nfs/dbraw/zinc/69/48/33/428694833.db2.gz LJFYASYQIVXQMW-FUHWJXTLSA-N 1 3 319.493 2.916 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416233977 428694837 /nfs/dbraw/zinc/69/48/37/428694837.db2.gz LJFYASYQIVXQMW-FUHWJXTLSA-N 1 3 319.493 2.916 20 0 DFADHO CC[C@H]1CN(CCC(C)CC[N@@H+]2CCO[C@@H](CC)C2)CCO1 ZINC000411162161 428751280 /nfs/dbraw/zinc/75/12/80/428751280.db2.gz GKKWYWYECUNNTF-ROUUACIJSA-N 1 3 312.498 2.624 20 0 DFADHO CC[C@H]1CN(CCC(C)CC[N@H+]2CCO[C@@H](CC)C2)CCO1 ZINC000411162161 428751284 /nfs/dbraw/zinc/75/12/84/428751284.db2.gz GKKWYWYECUNNTF-ROUUACIJSA-N 1 3 312.498 2.624 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000411458994 428802544 /nfs/dbraw/zinc/80/25/44/428802544.db2.gz FUXYENFWZNZQOU-MRXNPFEDSA-N 1 3 317.477 2.555 20 0 DFADHO C[C@H](CNC(=O)c1ccccc1CN(C)C)[NH+]1CCC(C)CC1 ZINC000362732039 428803800 /nfs/dbraw/zinc/80/38/00/428803800.db2.gz CHFLWOVXURZKEO-MRXNPFEDSA-N 1 3 317.477 2.598 20 0 DFADHO Cc1cc2[nH]c(C[NH2+]C[C@H](O)CN3CCCCC3)cc2c(C)c1 ZINC000359085404 428810053 /nfs/dbraw/zinc/81/00/53/428810053.db2.gz SZSFQAZMVCDHIZ-KRWDZBQOSA-N 1 3 315.461 2.721 20 0 DFADHO CCN(CCOCCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411685822 428842048 /nfs/dbraw/zinc/84/20/48/428842048.db2.gz BQKJNVMUFAYHDK-UHFFFAOYSA-N 1 3 320.477 2.503 20 0 DFADHO CCN(CCOCCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411700477 428843551 /nfs/dbraw/zinc/84/35/51/428843551.db2.gz ZVENCIYRMDVFHV-UHFFFAOYSA-N 1 3 320.477 2.503 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000354198057 428909828 /nfs/dbraw/zinc/90/98/28/428909828.db2.gz CTIGQMBSJRGYOV-QGZVFWFLSA-N 1 3 316.493 2.762 20 0 DFADHO O[C@@]1(C(F)F)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411786645 428858443 /nfs/dbraw/zinc/85/84/43/428858443.db2.gz DBWRRORHENQWQX-SFHVURJKSA-N 1 3 324.415 2.874 20 0 DFADHO CC(C)[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000354095192 428860376 /nfs/dbraw/zinc/86/03/76/428860376.db2.gz YXNLJOSJYZRIAX-WMZOPIPTSA-N 1 3 323.456 2.744 20 0 DFADHO CC(C)[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000354095192 428860383 /nfs/dbraw/zinc/86/03/83/428860383.db2.gz YXNLJOSJYZRIAX-WMZOPIPTSA-N 1 3 323.456 2.744 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN2CCCCC2)[C@H]1C ZINC000354148986 428886807 /nfs/dbraw/zinc/88/68/07/428886807.db2.gz ZDTMGTXEKKQMJD-QAETUUGQSA-N 1 3 310.482 2.676 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN2CCCCC2)[C@@H]1C ZINC000354148989 428887887 /nfs/dbraw/zinc/88/78/87/428887887.db2.gz ZDTMGTXEKKQMJD-YVSFHVDLSA-N 1 3 310.482 2.676 20 0 DFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN(C)C)cc2)[C@@H]1C ZINC000354163304 428894088 /nfs/dbraw/zinc/89/40/88/428894088.db2.gz MFFXYURNEIKNEG-FHLIZLRMSA-N 1 3 318.461 2.816 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN(C)C)cc2)[C@@H]1C ZINC000354163306 428895967 /nfs/dbraw/zinc/89/59/67/428895967.db2.gz MFFXYURNEIKNEG-JLSDUUJJSA-N 1 3 318.461 2.816 20 0 DFADHO C[NH+](C)CCOCCNCc1ccc(OC(F)F)c(Cl)c1 ZINC000354207019 428915199 /nfs/dbraw/zinc/91/51/99/428915199.db2.gz SANGQLWWXYHSCM-UHFFFAOYSA-N 1 3 322.783 2.609 20 0 DFADHO CCCN1CC[C@H](C[NH2+]C2CCC(C)(C(=O)OCC)CC2)C1 ZINC000354209544 428918719 /nfs/dbraw/zinc/91/87/19/428918719.db2.gz IYBCFJPIPIWBAB-KLHKWILBSA-N 1 3 310.482 2.820 20 0 DFADHO Cc1ccc(CCC[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cn1 ZINC000349126584 428923834 /nfs/dbraw/zinc/92/38/34/428923834.db2.gz GUQOTGJTJBIKNV-IBGZPJMESA-N 1 3 301.478 2.986 20 0 DFADHO Cc1ccc(CCC[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cn1 ZINC000349126584 428923835 /nfs/dbraw/zinc/92/38/35/428923835.db2.gz GUQOTGJTJBIKNV-IBGZPJMESA-N 1 3 301.478 2.986 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000349119614 428924216 /nfs/dbraw/zinc/92/42/16/428924216.db2.gz QUTTXGZZOWMZOA-QZTJIDSGSA-N 1 3 323.525 2.734 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000354226432 428925401 /nfs/dbraw/zinc/92/54/01/428925401.db2.gz WDCNXBVJWAEHNP-RHSMWYFYSA-N 1 3 321.440 2.959 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000354226432 428925406 /nfs/dbraw/zinc/92/54/06/428925406.db2.gz WDCNXBVJWAEHNP-RHSMWYFYSA-N 1 3 321.440 2.959 20 0 DFADHO CC1CCC([NH+]2CCC(N(C)C(=O)/C=C/CN(C)C)CC2)CC1 ZINC000363542979 428937384 /nfs/dbraw/zinc/93/73/84/428937384.db2.gz CBLXBCOPGKAPNY-AATRIKPKSA-N 1 3 321.509 2.606 20 0 DFADHO C[C@@H]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H]1O ZINC000349360865 428972074 /nfs/dbraw/zinc/97/20/74/428972074.db2.gz AYZLCGKHYWZHJV-SJLPKXTDSA-N 1 3 304.478 2.847 20 0 DFADHO C[C@@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H]1O ZINC000349360865 428972078 /nfs/dbraw/zinc/97/20/78/428972078.db2.gz AYZLCGKHYWZHJV-SJLPKXTDSA-N 1 3 304.478 2.847 20 0 DFADHO O[C@H](CCNC1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000349293087 428957173 /nfs/dbraw/zinc/95/71/73/428957173.db2.gz DOKNFURHPFFVCR-CQSZACIVSA-N 1 3 308.388 2.686 20 0 DFADHO O[C@H](CC[NH2+]C1CCN(C2CCCCC2)CC1)C(F)(F)F ZINC000349293087 428957180 /nfs/dbraw/zinc/95/71/80/428957180.db2.gz DOKNFURHPFFVCR-CQSZACIVSA-N 1 3 308.388 2.686 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@H](O)C(F)(F)F)CC1 ZINC000349336715 428964331 /nfs/dbraw/zinc/96/43/31/428964331.db2.gz XOMJDDRYWZDJAD-YUELXQCFSA-N 1 3 322.415 2.932 20 0 DFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@H](O)C(F)(F)F)CC1 ZINC000349336715 428964335 /nfs/dbraw/zinc/96/43/35/428964335.db2.gz XOMJDDRYWZDJAD-YUELXQCFSA-N 1 3 322.415 2.932 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)[C@H]1C ZINC000354327356 428970703 /nfs/dbraw/zinc/97/07/03/428970703.db2.gz GUTGRZGKNMFCRG-QAETUUGQSA-N 1 3 310.482 2.674 20 0 DFADHO CCN(CCCN1[C@@H]2CC[C@H]1C[N@H+](CC)CC2)CC(F)(F)F ZINC000354867233 429016387 /nfs/dbraw/zinc/01/63/87/429016387.db2.gz XXHXEXZYKSRSCV-CABCVRRESA-N 1 3 321.431 2.819 20 0 DFADHO CCN(CCCN1[C@@H]2CC[C@H]1C[N@@H+](CC)CC2)CC(F)(F)F ZINC000354867233 429016392 /nfs/dbraw/zinc/01/63/92/429016392.db2.gz XXHXEXZYKSRSCV-CABCVRRESA-N 1 3 321.431 2.819 20 0 DFADHO C[C@H]1CN(CC2CC[NH+](CCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000432938210 428974277 /nfs/dbraw/zinc/97/42/77/428974277.db2.gz KPNLTIOORRPEBZ-IRXDYDNUSA-N 1 3 324.509 2.624 20 0 DFADHO CCN(CC)CCC[N@H+](CC)C[C@H]1CCO[C@H]1c1ccnn1C ZINC000349386334 428978720 /nfs/dbraw/zinc/97/87/20/428978720.db2.gz RSQOVUSATLVZND-SJLPKXTDSA-N 1 3 322.497 2.552 20 0 DFADHO CCN(CC)CCC[N@@H+](CC)C[C@H]1CCO[C@H]1c1ccnn1C ZINC000349386334 428978724 /nfs/dbraw/zinc/97/87/24/428978724.db2.gz RSQOVUSATLVZND-SJLPKXTDSA-N 1 3 322.497 2.552 20 0 DFADHO CCN(CCC[NH+](CC)CC)C[C@H]1CCO[C@H]1c1ccnn1C ZINC000349386334 428978727 /nfs/dbraw/zinc/97/87/27/428978727.db2.gz RSQOVUSATLVZND-SJLPKXTDSA-N 1 3 322.497 2.552 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3[C@@H]4CCCC[C@@H]4C3(C)C)C2)CC1 ZINC000363749432 428982081 /nfs/dbraw/zinc/98/20/81/428982081.db2.gz KYLBOIBQJILXNE-WZGPROSRSA-N 1 3 319.537 2.959 20 0 DFADHO OCC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC(c2ccccc2)C1 ZINC000433085626 428993227 /nfs/dbraw/zinc/99/32/27/428993227.db2.gz WZCGYEUPSRNUCK-KAXARAQCSA-N 1 3 314.473 2.759 20 0 DFADHO OCC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC(c2ccccc2)C1 ZINC000433085626 428993234 /nfs/dbraw/zinc/99/32/34/428993234.db2.gz WZCGYEUPSRNUCK-KAXARAQCSA-N 1 3 314.473 2.759 20 0 DFADHO Cc1cc(C)cc([C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000375842562 428993514 /nfs/dbraw/zinc/99/35/14/428993514.db2.gz WAZHSCGEMGICIM-AKHDSKFASA-N 1 3 302.462 2.799 20 0 DFADHO Cc1cc(C)cc([C@H](O)CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000375842562 428993517 /nfs/dbraw/zinc/99/35/17/428993517.db2.gz WAZHSCGEMGICIM-AKHDSKFASA-N 1 3 302.462 2.799 20 0 DFADHO C[C@H](CC[NH2+]C1CCN(c2nccs2)CC1)N1CCCCC1 ZINC000363861404 428999571 /nfs/dbraw/zinc/99/95/71/428999571.db2.gz MHDMRJYMRVDGCN-OAHLLOKOSA-N 1 3 322.522 2.966 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423718037 429002934 /nfs/dbraw/zinc/00/29/34/429002934.db2.gz ATYULRAKXFLBND-QGZVFWFLSA-N 1 3 317.477 2.702 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423728457 429004721 /nfs/dbraw/zinc/00/47/21/429004721.db2.gz MSDVUUYQMADBGR-YYIAUSFCSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423728457 429004726 /nfs/dbraw/zinc/00/47/26/429004726.db2.gz MSDVUUYQMADBGR-YYIAUSFCSA-N 1 3 321.509 2.628 20 0 DFADHO CC[C@@]1(C)CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000354856993 429013670 /nfs/dbraw/zinc/01/36/70/429013670.db2.gz MWXCHMZIPZRCOL-HKUYNNGSSA-N 1 3 317.477 2.528 20 0 DFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCCN1C1CCCC1 ZINC000433231947 429013722 /nfs/dbraw/zinc/01/37/22/429013722.db2.gz ZJSOEZXPMWTYQU-KURKYZTESA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCCCN1C1CCCC1 ZINC000433231947 429013729 /nfs/dbraw/zinc/01/37/29/429013729.db2.gz ZJSOEZXPMWTYQU-KURKYZTESA-N 1 3 319.493 2.527 20 0 DFADHO COC[C@]1(C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CCCN1 ZINC000423437916 429089301 /nfs/dbraw/zinc/08/93/01/429089301.db2.gz UONTVFBOUIWQKZ-RLFYNMQTSA-N 1 3 306.450 2.545 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000423448015 429089789 /nfs/dbraw/zinc/08/97/89/429089789.db2.gz POYPHQWWFQWSME-RDBSUJKOSA-N 1 3 306.454 2.947 20 0 DFADHO C[C@H](CCC[NH3+])N[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000423458270 429091048 /nfs/dbraw/zinc/09/10/48/429091048.db2.gz PXCVBUYUHIXVPZ-VXGBXAGGSA-N 1 3 307.829 2.699 20 0 DFADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000423469281 429091858 /nfs/dbraw/zinc/09/18/58/429091858.db2.gz OTVDVGBLEYJNJB-BXKDBHETSA-N 1 3 318.202 2.679 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)CC1 ZINC000452054557 429044579 /nfs/dbraw/zinc/04/45/79/429044579.db2.gz RQFVKTHESFUWBD-FUMNGEBKSA-N 1 3 319.537 2.771 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)CC1 ZINC000452054557 429044582 /nfs/dbraw/zinc/04/45/82/429044582.db2.gz RQFVKTHESFUWBD-FUMNGEBKSA-N 1 3 319.537 2.771 20 0 DFADHO CO[C@@H]1CCCC[C@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969989 429052923 /nfs/dbraw/zinc/05/29/23/429052923.db2.gz VOILQYITEMMRJQ-RWQQGDIJSA-N 1 3 316.445 2.790 20 0 DFADHO CC(C)[C@H]([NH3+])CN[C@H]1CCc2cc(Br)ccc2C1 ZINC000423284120 429057408 /nfs/dbraw/zinc/05/74/08/429057408.db2.gz XTHNUNHCDILJBT-LSDHHAIUSA-N 1 3 311.267 2.879 20 0 DFADHO CCC(N)(CC)C[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000423288609 429057559 /nfs/dbraw/zinc/05/75/59/429057559.db2.gz TYKSAVYLFSMVAE-FUHWJXTLSA-N 1 3 319.493 2.556 20 0 DFADHO CCC(N)(CC)C[NH2+][C@@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000423287574 429057610 /nfs/dbraw/zinc/05/76/10/429057610.db2.gz MZWKVFJBUXGWGQ-AWEZNQCLSA-N 1 3 305.466 2.533 20 0 DFADHO C[C@H](C[NH3+])CN[C@@H]1CCc2c1ccc(F)c2Br ZINC000423308128 429059956 /nfs/dbraw/zinc/05/99/56/429059956.db2.gz NXUCKNOLPJNNIN-PRHODGIISA-N 1 3 301.203 2.760 20 0 DFADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2(N)CCC2)c2ccccc21 ZINC000423316637 429062085 /nfs/dbraw/zinc/06/20/85/429062085.db2.gz BXTAVKBMEYRMRH-JKSUJKDBSA-N 1 3 302.418 2.639 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1 ZINC000423329575 429065509 /nfs/dbraw/zinc/06/55/09/429065509.db2.gz MVTSHFJSKMCJKC-QLFBSQMISA-N 1 3 303.450 2.557 20 0 DFADHO C[C@@H](CNC(=O)[C@@H](N)CC1CCCCC1)[NH+]1CCC(C)CC1 ZINC000423357153 429071334 /nfs/dbraw/zinc/07/13/34/429071334.db2.gz LQCHAIKUPQEXBO-RDJZCZTQSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(c2ccc(F)cc2F)CC1 ZINC000423362604 429071556 /nfs/dbraw/zinc/07/15/56/429071556.db2.gz NCTQODJOEKQOAB-WBMJQRKESA-N 1 3 309.404 2.521 20 0 DFADHO N[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CCC1 ZINC000423356983 429071628 /nfs/dbraw/zinc/07/16/28/429071628.db2.gz RMTXPUZPDNGZHS-SFHVURJKSA-N 1 3 315.461 2.781 20 0 DFADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CCCOCC2)cc1F ZINC000423361067 429071840 /nfs/dbraw/zinc/07/18/40/429071840.db2.gz GOGHITKGNUSSOO-KEYYUXOJSA-N 1 3 310.388 2.569 20 0 DFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423365774 429074297 /nfs/dbraw/zinc/07/42/97/429074297.db2.gz PSGASNYWUBHJFV-KFWWJZLASA-N 1 3 303.450 2.557 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)c2ccccc2)cc1 ZINC000423368505 429075230 /nfs/dbraw/zinc/07/52/30/429075230.db2.gz ZYPAOHOQAGQUBV-HNNXBMFYSA-N 1 3 311.429 2.915 20 0 DFADHO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCCOC1 ZINC000423369279 429075500 /nfs/dbraw/zinc/07/55/00/429075500.db2.gz OASCIALIURPWCI-WLLUSJSYSA-N 1 3 324.415 2.815 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H](NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000423380198 429075996 /nfs/dbraw/zinc/07/59/96/429075996.db2.gz HARKEFAYVSDYQY-VYDXJSESSA-N 1 3 304.482 2.814 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H](CN)c1ccc2ccccc2c1 ZINC000423408376 429082233 /nfs/dbraw/zinc/08/22/33/429082233.db2.gz XJZXBPNWRIMWCO-JSNMRZPZSA-N 1 3 309.457 2.912 20 0 DFADHO c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc2c1CNC2 ZINC000423405649 429082305 /nfs/dbraw/zinc/08/23/05/429082305.db2.gz YFRQNGDREHFRTL-NZSAHSFTSA-N 1 3 300.446 2.975 20 0 DFADHO COC[C@@]1(C[NH2+][C@@H](C)CCc2ccc(F)cc2F)CCCN1 ZINC000423411068 429083156 /nfs/dbraw/zinc/08/31/56/429083156.db2.gz DXJREQGBGDPDLB-GUYCJALGSA-N 1 3 312.404 2.644 20 0 DFADHO COC[C@@]1(C[NH2+][C@H](C)CCc2ccc(F)cc2F)CCCN1 ZINC000423411067 429083575 /nfs/dbraw/zinc/08/35/75/429083575.db2.gz DXJREQGBGDPDLB-DYVFJYSZSA-N 1 3 312.404 2.644 20 0 DFADHO c1ccc2c(c1)CCN[C@@H]2CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423421140 429085591 /nfs/dbraw/zinc/08/55/91/429085591.db2.gz JVBYOTVKHHWWJE-UAFMIMERSA-N 1 3 313.489 2.774 20 0 DFADHO COC[C@]1(C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)CCCN1 ZINC000423437915 429088831 /nfs/dbraw/zinc/08/88/31/429088831.db2.gz UONTVFBOUIWQKZ-IIDMSEBBSA-N 1 3 306.450 2.545 20 0 DFADHO COc1cc2nccc(N3CC[N@@H+]4CCC[C@H]4C3)c2cc1OC ZINC000413132232 429143747 /nfs/dbraw/zinc/14/37/47/429143747.db2.gz SXQBYPAWDOHRDS-ZDUSSCGKSA-N 1 3 313.401 2.536 20 0 DFADHO COc1cc2nccc(N3CC[N@H+]4CCC[C@H]4C3)c2cc1OC ZINC000413132232 429143750 /nfs/dbraw/zinc/14/37/50/429143750.db2.gz SXQBYPAWDOHRDS-ZDUSSCGKSA-N 1 3 313.401 2.536 20 0 DFADHO CCOc1ccc(OCCN(CC)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435617901 429152449 /nfs/dbraw/zinc/15/24/49/429152449.db2.gz XIMOXXZVHJBQGV-INIZCTEOSA-N 1 3 306.450 2.928 20 0 DFADHO CCN(CCC(=O)NCC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435630207 429154533 /nfs/dbraw/zinc/15/45/33/429154533.db2.gz WJNISOWUPODLIR-QGZVFWFLSA-N 1 3 309.498 2.537 20 0 DFADHO CC[N@H+](CCC(=O)NCC1CCCCC1)[C@@H]1CCCNCC1 ZINC000435630207 429154539 /nfs/dbraw/zinc/15/45/39/429154539.db2.gz WJNISOWUPODLIR-QGZVFWFLSA-N 1 3 309.498 2.537 20 0 DFADHO CC[N@@H+](CCC(=O)NCC1CCCCC1)[C@@H]1CCCNCC1 ZINC000435630207 429154544 /nfs/dbraw/zinc/15/45/44/429154544.db2.gz WJNISOWUPODLIR-QGZVFWFLSA-N 1 3 309.498 2.537 20 0 DFADHO CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000424141369 429098611 /nfs/dbraw/zinc/09/86/11/429098611.db2.gz CKNXYJYJXRAVNG-FUHWJXTLSA-N 1 3 321.509 2.759 20 0 DFADHO Clc1cccc([C@@H]2CC[C@H]([NH2+]C[C@H]3CNCCCO3)C2)c1 ZINC000423492845 429098845 /nfs/dbraw/zinc/09/88/45/429098845.db2.gz OVGKWHMGCMYAMP-HYVNUMGLSA-N 1 3 308.853 2.944 20 0 DFADHO Clc1cccc([C@@H]2CC[C@H](NC[C@H]3C[NH2+]CCCO3)C2)c1 ZINC000423492845 429098849 /nfs/dbraw/zinc/09/88/49/429098849.db2.gz OVGKWHMGCMYAMP-HYVNUMGLSA-N 1 3 308.853 2.944 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CNCCCO1)[C@H](C)c1nc2ccccc2s1 ZINC000423492595 429099217 /nfs/dbraw/zinc/09/92/17/429099217.db2.gz NUSYHFBMOBUMLF-IHRRRGAJSA-N 1 3 319.474 2.756 20 0 DFADHO C[C@H](c1ccc2c(c1)C(C)(C)C(=O)N2)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423512815 429104536 /nfs/dbraw/zinc/10/45/36/429104536.db2.gz QLUBLTWOWPLXMB-VLXJIEOASA-N 1 3 315.461 2.894 20 0 DFADHO C[C@H](c1ccc2c(c1)C(C)(C)C(=O)N2)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423512815 429104539 /nfs/dbraw/zinc/10/45/39/429104539.db2.gz QLUBLTWOWPLXMB-VLXJIEOASA-N 1 3 315.461 2.894 20 0 DFADHO C[C@H](c1ccc2c(c1)C(C)(C)C(=O)N2)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423512815 429104543 /nfs/dbraw/zinc/10/45/43/429104543.db2.gz QLUBLTWOWPLXMB-VLXJIEOASA-N 1 3 315.461 2.894 20 0 DFADHO COc1ccc(C[C@@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)c1OC ZINC000423514938 429106281 /nfs/dbraw/zinc/10/62/81/429106281.db2.gz URXQJJRBRAOPMF-PJIJBLCYSA-N 1 3 320.477 2.860 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1)C1CC1 ZINC000434704143 429107128 /nfs/dbraw/zinc/10/71/28/429107128.db2.gz XGPLKVGUPORYFQ-KSSFIOAISA-N 1 3 315.461 2.541 20 0 DFADHO CC(C)[C@@H]1C[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)CCO1 ZINC000423524227 429109055 /nfs/dbraw/zinc/10/90/55/429109055.db2.gz JBNPJGMMNICJQE-WKZQYRDASA-N 1 3 306.494 2.933 20 0 DFADHO CC1(C)[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)[C@@H]2CCO[C@@H]21 ZINC000423522841 429109511 /nfs/dbraw/zinc/10/95/11/429109511.db2.gz HRUUDFQHFMJDQY-WUDZWVLASA-N 1 3 304.478 2.543 20 0 DFADHO CC1(C)[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H]2CCO[C@@H]21 ZINC000423522841 429109515 /nfs/dbraw/zinc/10/95/15/429109515.db2.gz HRUUDFQHFMJDQY-WUDZWVLASA-N 1 3 304.478 2.543 20 0 DFADHO C([NH2+]C1CCN(C2CCCC2)CC1)C1CCC2(CC1)OCCO2 ZINC000376476745 429119395 /nfs/dbraw/zinc/11/93/95/429119395.db2.gz JPQMDLTUQMLINC-UHFFFAOYSA-N 1 3 322.493 2.916 20 0 DFADHO C[C@@H]1CC2(CN1CC(=O)Nc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424294340 429121244 /nfs/dbraw/zinc/12/12/44/429121244.db2.gz QAEKXCLGLKGLEI-CYBMUJFWSA-N 1 3 321.852 2.743 20 0 DFADHO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](CN)c1ccc(F)cc1 ZINC000424308141 429124879 /nfs/dbraw/zinc/12/48/79/429124879.db2.gz ZFVUDNOVGZIJID-WMZOPIPTSA-N 1 3 316.424 2.538 20 0 DFADHO Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H](CN)c1ccc(F)cc1 ZINC000424308141 429124881 /nfs/dbraw/zinc/12/48/81/429124881.db2.gz ZFVUDNOVGZIJID-WMZOPIPTSA-N 1 3 316.424 2.538 20 0 DFADHO Cc1nccn1C[C@@H]1CCCN1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424308141 429124884 /nfs/dbraw/zinc/12/48/84/429124884.db2.gz ZFVUDNOVGZIJID-WMZOPIPTSA-N 1 3 316.424 2.538 20 0 DFADHO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424339032 429128544 /nfs/dbraw/zinc/12/85/44/429128544.db2.gz VFGOXENZWMIFMH-APHBMKBZSA-N 1 3 323.868 2.719 20 0 DFADHO COc1ccc(OC)c(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424373489 429131390 /nfs/dbraw/zinc/13/13/90/429131390.db2.gz HDFKNXSJKZBLDV-AWEZNQCLSA-N 1 3 304.434 2.668 20 0 DFADHO [NH3+]CC1CCN(Cc2ccccc2OCc2cccnc2)CC1 ZINC000435368960 429134515 /nfs/dbraw/zinc/13/45/15/429134515.db2.gz CXCJOPYDKSYATB-UHFFFAOYSA-N 1 3 311.429 2.831 20 0 DFADHO COc1ccc(-c2ccncc2)cc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000435377803 429135229 /nfs/dbraw/zinc/13/52/29/429135229.db2.gz FJZGXDUCUZQVNI-YTQUADARSA-N 1 3 323.440 2.926 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363922263 429141073 /nfs/dbraw/zinc/14/10/73/429141073.db2.gz NZPXLQXOLGSQQG-GVDBMIGSSA-N 1 3 315.461 2.929 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363922263 429141074 /nfs/dbraw/zinc/14/10/74/429141074.db2.gz NZPXLQXOLGSQQG-GVDBMIGSSA-N 1 3 315.461 2.929 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)[C@@H]1C ZINC000494927288 429165367 /nfs/dbraw/zinc/16/53/67/429165367.db2.gz ZUMFJPZYCBXBFL-GPMSIDNRSA-N 1 3 301.478 2.568 20 0 DFADHO CCN1CCC[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495352238 429201416 /nfs/dbraw/zinc/20/14/16/429201416.db2.gz KENCSWQVYQHBDM-CQSZACIVSA-N 1 3 313.486 2.611 20 0 DFADHO CC[N@@H+]1CCC[C@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495352238 429201417 /nfs/dbraw/zinc/20/14/17/429201417.db2.gz KENCSWQVYQHBDM-CQSZACIVSA-N 1 3 313.486 2.611 20 0 DFADHO CC[N@H+]1CCC[C@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495352238 429201418 /nfs/dbraw/zinc/20/14/18/429201418.db2.gz KENCSWQVYQHBDM-CQSZACIVSA-N 1 3 313.486 2.611 20 0 DFADHO Cc1ccc(F)cc1CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000364640591 429240927 /nfs/dbraw/zinc/24/09/27/429240927.db2.gz XITZGXUMHVGJHS-MRXNPFEDSA-N 1 3 319.468 2.734 20 0 DFADHO Cc1ccc(F)cc1CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000364640591 429240931 /nfs/dbraw/zinc/24/09/31/429240931.db2.gz XITZGXUMHVGJHS-MRXNPFEDSA-N 1 3 319.468 2.734 20 0 DFADHO Cc1ccc(F)cc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000364640591 429240934 /nfs/dbraw/zinc/24/09/34/429240934.db2.gz XITZGXUMHVGJHS-MRXNPFEDSA-N 1 3 319.468 2.734 20 0 DFADHO [NH3+]CC[C@H]1CCCN(Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000442929568 429241885 /nfs/dbraw/zinc/24/18/85/429241885.db2.gz RUMAOOXIWKBMRL-CYBMUJFWSA-N 1 3 302.397 2.777 20 0 DFADHO c1cc2c(cc1C[NH2+]C[C@@H]1CCN(C3CC3)C1)OCCCCO2 ZINC000449073510 429324668 /nfs/dbraw/zinc/32/46/68/429324668.db2.gz IVPCRGJKGCMGQZ-INIZCTEOSA-N 1 3 316.445 2.812 20 0 DFADHO CN[C@@H](CC(C)(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000449098593 429331037 /nfs/dbraw/zinc/33/10/37/429331037.db2.gz KAQQUDJFOXLEJS-CABCVRRESA-N 1 3 311.514 2.637 20 0 DFADHO CN[C@@H](CC(C)(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000449098593 429331040 /nfs/dbraw/zinc/33/10/40/429331040.db2.gz KAQQUDJFOXLEJS-CABCVRRESA-N 1 3 311.514 2.637 20 0 DFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000449098593 429331044 /nfs/dbraw/zinc/33/10/44/429331044.db2.gz KAQQUDJFOXLEJS-CABCVRRESA-N 1 3 311.514 2.637 20 0 DFADHO COCC1CCC([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449103349 429332594 /nfs/dbraw/zinc/33/25/94/429332594.db2.gz PSJIJNJVFODDIH-OQSMONGASA-N 1 3 312.498 2.671 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCOC2)CC1 ZINC000449121463 429338875 /nfs/dbraw/zinc/33/88/75/429338875.db2.gz HURDSTYXXVIMNB-QFBILLFUSA-N 1 3 302.462 2.851 20 0 DFADHO CC(C)[C@@H](O)CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449143296 429343716 /nfs/dbraw/zinc/34/37/16/429343716.db2.gz PYSNAKCKMAVIIO-APWZRJJASA-N 1 3 304.478 2.689 20 0 DFADHO Cc1cccc(CCNC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000449162817 429346638 /nfs/dbraw/zinc/34/66/38/429346638.db2.gz UDPISSAQYHWTDS-SFHVURJKSA-N 1 3 302.462 2.628 20 0 DFADHO CC(C)OCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000365884051 429395557 /nfs/dbraw/zinc/39/55/57/429395557.db2.gz HPGSVANUMRGXLR-IAGOWNOFSA-N 1 3 312.498 2.623 20 0 DFADHO C[C@H](Cc1ccc(O)cc1)NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425895977 429350787 /nfs/dbraw/zinc/35/07/87/429350787.db2.gz MGFIWCGSWDKEHB-CYBMUJFWSA-N 1 3 315.417 2.568 20 0 DFADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C12CCCN1CCC2 ZINC000365613165 429350890 /nfs/dbraw/zinc/35/08/90/429350890.db2.gz AMUARHWYHRNOOV-KRWDZBQOSA-N 1 3 319.493 2.528 20 0 DFADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C12CCCN1CCC2 ZINC000365613165 429350892 /nfs/dbraw/zinc/35/08/92/429350892.db2.gz AMUARHWYHRNOOV-KRWDZBQOSA-N 1 3 319.493 2.528 20 0 DFADHO CC(C)[C@H]1OCCC[C@@H]1CNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425902151 429351381 /nfs/dbraw/zinc/35/13/81/429351381.db2.gz RUEJRNZOZKNWFY-CRAIPNDOSA-N 1 3 321.465 2.682 20 0 DFADHO CCN(CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)CCC(F)(F)F ZINC000426052897 429362031 /nfs/dbraw/zinc/36/20/31/429362031.db2.gz ULUVABFTQQFMBC-BFHYXJOUSA-N 1 3 309.420 2.579 20 0 DFADHO CCN(CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)CCC(F)(F)F ZINC000426052897 429362036 /nfs/dbraw/zinc/36/20/36/429362036.db2.gz ULUVABFTQQFMBC-BFHYXJOUSA-N 1 3 309.420 2.579 20 0 DFADHO Cc1nc(CCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n[nH]1 ZINC000449230417 429362853 /nfs/dbraw/zinc/36/28/53/429362853.db2.gz KSUFFJOVAIALDL-UHFFFAOYSA-N 1 3 321.513 2.924 20 0 DFADHO Cc1n[nH]c(CCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n1 ZINC000449230417 429362856 /nfs/dbraw/zinc/36/28/56/429362856.db2.gz KSUFFJOVAIALDL-UHFFFAOYSA-N 1 3 321.513 2.924 20 0 DFADHO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000449235069 429363426 /nfs/dbraw/zinc/36/34/26/429363426.db2.gz SOMCFDMGEVCUMN-HNAYVOBHSA-N 1 3 314.429 2.567 20 0 DFADHO C[C@H]1OCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000426296147 429380007 /nfs/dbraw/zinc/38/00/07/429380007.db2.gz XCNQNKFNMJDUGX-RXABAKJHSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@H]1OCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000426296147 429380012 /nfs/dbraw/zinc/38/00/12/429380012.db2.gz XCNQNKFNMJDUGX-RXABAKJHSA-N 1 3 300.446 2.949 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N(C)C ZINC000426392602 429388653 /nfs/dbraw/zinc/38/86/53/429388653.db2.gz XPBOIMKHJWUCCD-MSOLQXFVSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)N(C)C ZINC000426392602 429388657 /nfs/dbraw/zinc/38/86/57/429388657.db2.gz XPBOIMKHJWUCCD-MSOLQXFVSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)/C=C\CN(C)C)cc2)C1 ZINC000491686421 429390453 /nfs/dbraw/zinc/39/04/53/429390453.db2.gz QPCQBONVAATHHG-GMNBZTITSA-N 1 3 315.461 2.975 20 0 DFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)/C=C\CN(C)C)cc2)C1 ZINC000491686421 429390458 /nfs/dbraw/zinc/39/04/58/429390458.db2.gz QPCQBONVAATHHG-GMNBZTITSA-N 1 3 315.461 2.975 20 0 DFADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCN2CC=CCC2)CC1 ZINC000366251033 429440206 /nfs/dbraw/zinc/44/02/06/429440206.db2.gz UTTVZMJQRZLCJB-HKUYNNGSSA-N 1 3 305.510 2.881 20 0 DFADHO C[N@@H+]1CCC[C@H](CCN[C@@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000519110498 429447881 /nfs/dbraw/zinc/44/78/81/429447881.db2.gz AGVKMLNWJKMJGI-GDBMZVCRSA-N 1 3 305.470 2.748 20 0 DFADHO CC(C)(C)[C@H](N)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000366334880 429447892 /nfs/dbraw/zinc/44/78/92/429447892.db2.gz RPKOWCMFOCAZMC-MRXNPFEDSA-N 1 3 309.498 2.521 20 0 DFADHO C[N@H+]1CCC[C@H](CCN[C@@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000519110498 429447883 /nfs/dbraw/zinc/44/78/83/429447883.db2.gz AGVKMLNWJKMJGI-GDBMZVCRSA-N 1 3 305.470 2.748 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000449642868 429468652 /nfs/dbraw/zinc/46/86/52/429468652.db2.gz HFTJPJXKFOHFDX-MAUKXSAKSA-N 1 3 315.461 2.530 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)CN1CCCC1 ZINC000366075712 429413274 /nfs/dbraw/zinc/41/32/74/429413274.db2.gz XBIFWCKGSUPACB-IKGGRYGDSA-N 1 3 304.482 2.768 20 0 DFADHO CCC[C@H](N)C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000518369878 429419778 /nfs/dbraw/zinc/41/97/78/429419778.db2.gz CYHMQSRESJJANS-NXHRZFHOSA-N 1 3 319.493 2.996 20 0 DFADHO C[C@H]1CCC[C@H](C)N1C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000366866708 429530139 /nfs/dbraw/zinc/53/01/39/429530139.db2.gz RUDHPQPHYFVOPH-IRXDYDNUSA-N 1 3 321.509 2.584 20 0 DFADHO CC[N@H+](CCC1CCN(C(=O)/C=C\CN(C)C)CC1)CC(C)C ZINC000492323619 429513073 /nfs/dbraw/zinc/51/30/73/429513073.db2.gz OBACEYJQQCVFGP-FPLPWBNLSA-N 1 3 323.525 2.711 20 0 DFADHO CC[N@@H+](CCC1CCN(C(=O)/C=C\CN(C)C)CC1)CC(C)C ZINC000492323619 429513076 /nfs/dbraw/zinc/51/30/76/429513076.db2.gz OBACEYJQQCVFGP-FPLPWBNLSA-N 1 3 323.525 2.711 20 0 DFADHO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000449803886 429514948 /nfs/dbraw/zinc/51/49/48/429514948.db2.gz QBMVIQDFKYFWHK-KRWDZBQOSA-N 1 3 309.498 2.630 20 0 DFADHO CC(C)[N@@H+](C)CCCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000449803886 429514953 /nfs/dbraw/zinc/51/49/53/429514953.db2.gz QBMVIQDFKYFWHK-KRWDZBQOSA-N 1 3 309.498 2.630 20 0 DFADHO CCCCNC(=[NH2+])NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000366817872 429520709 /nfs/dbraw/zinc/52/07/09/429520709.db2.gz IDMPEUNMHGFQJP-SFHVURJKSA-N 1 3 302.466 2.813 20 0 DFADHO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCN(C)Cc1ccccc1 ZINC000450478655 429638416 /nfs/dbraw/zinc/63/84/16/429638416.db2.gz IDKGBWZJRIQQLD-MOPGFXCFSA-N 1 3 301.478 2.677 20 0 DFADHO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN(C)Cc1ccccc1 ZINC000450478655 429638420 /nfs/dbraw/zinc/63/84/20/429638420.db2.gz IDKGBWZJRIQQLD-MOPGFXCFSA-N 1 3 301.478 2.677 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000523115928 429600492 /nfs/dbraw/zinc/60/04/92/429600492.db2.gz GAPDUMYSBYNUCQ-BBWFWOEESA-N 1 3 323.525 2.827 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000523115928 429600496 /nfs/dbraw/zinc/60/04/96/429600496.db2.gz GAPDUMYSBYNUCQ-BBWFWOEESA-N 1 3 323.525 2.827 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000429430559 429607167 /nfs/dbraw/zinc/60/71/67/429607167.db2.gz RYBCDTQAWCKBDL-XABSUIGJSA-N 1 3 320.452 2.610 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000429430559 429607170 /nfs/dbraw/zinc/60/71/70/429607170.db2.gz RYBCDTQAWCKBDL-XABSUIGJSA-N 1 3 320.452 2.610 20 0 DFADHO C[C@H]([NH3+])c1ccc(CNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000429483086 429611610 /nfs/dbraw/zinc/61/16/10/429611610.db2.gz JTMBSKNLJVOJQE-AWEZNQCLSA-N 1 3 311.429 2.698 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@@H]1CCC(F)(F)C1 ZINC000450600353 429659161 /nfs/dbraw/zinc/65/91/61/429659161.db2.gz NLLIBECSKFREPT-KBUPBQIOSA-N 1 3 302.409 2.605 20 0 DFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCCCC1 ZINC000359067288 276013844 /nfs/dbraw/zinc/01/38/44/276013844.db2.gz VWXKEDKWJWRWRT-FUHWJXTLSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCCCC1 ZINC000359067288 276013846 /nfs/dbraw/zinc/01/38/46/276013846.db2.gz VWXKEDKWJWRWRT-FUHWJXTLSA-N 1 3 321.509 2.630 20 0 DFADHO CCC[C@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353753635 276043061 /nfs/dbraw/zinc/04/30/61/276043061.db2.gz MCTLREPFHZMMQJ-JQHSSLGASA-N 1 3 317.477 2.531 20 0 DFADHO CCC[C@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353753635 276043062 /nfs/dbraw/zinc/04/30/62/276043062.db2.gz MCTLREPFHZMMQJ-JQHSSLGASA-N 1 3 317.477 2.531 20 0 DFADHO CCN(C(=O)CC(C)(C)[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368453507 276060354 /nfs/dbraw/zinc/06/03/54/276060354.db2.gz KNYCDUDGIJDPEU-NVXWUHKLSA-N 1 3 317.477 2.798 20 0 DFADHO CC(C)n1ncc2c1C[C@H](N[C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000358018496 276089563 /nfs/dbraw/zinc/08/95/63/276089563.db2.gz AWJMHFUEKGCHGY-IKGGRYGDSA-N 1 3 302.466 2.538 20 0 DFADHO CC(C)n1ncc2c1C[C@H](N[C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000358018496 276089565 /nfs/dbraw/zinc/08/95/65/276089565.db2.gz AWJMHFUEKGCHGY-IKGGRYGDSA-N 1 3 302.466 2.538 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3cccn3)cc2)[C@@H]2CCC[C@@H]21 ZINC000367613083 429684227 /nfs/dbraw/zinc/68/42/27/429684227.db2.gz FEFPKNVSXQJIFX-UFYCRDLUSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc(Cn3cccn3)cc2)[C@@H]2CCC[C@@H]21 ZINC000367613083 429684231 /nfs/dbraw/zinc/68/42/31/429684231.db2.gz FEFPKNVSXQJIFX-UFYCRDLUSA-N 1 3 324.472 2.894 20 0 DFADHO CCC[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(C)C ZINC000133864016 276268632 /nfs/dbraw/zinc/26/86/32/276268632.db2.gz OWOJNKIPFRDCRE-ROUUACIJSA-N 1 3 323.525 2.831 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@H]2CCC[C@@H]21 ZINC000367624629 429688154 /nfs/dbraw/zinc/68/81/54/429688154.db2.gz WJDHYFBHFCSLAU-AABGKKOBSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@@H+]1CC[C@H](NCC[C@](C)(O)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000367631756 429688931 /nfs/dbraw/zinc/68/89/31/429688931.db2.gz FFGGLTNRHMOZBQ-HCXYKTFWSA-N 1 3 302.462 2.747 20 0 DFADHO C[N@H+]1CC[C@H](NCC[C@](C)(O)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000367631756 429688936 /nfs/dbraw/zinc/68/89/36/429688936.db2.gz FFGGLTNRHMOZBQ-HCXYKTFWSA-N 1 3 302.462 2.747 20 0 DFADHO CCN(CC)CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000157677424 276321550 /nfs/dbraw/zinc/32/15/50/276321550.db2.gz GQUYINYUNNFHON-QGZVFWFLSA-N 1 3 323.525 2.831 20 0 DFADHO CCN(CC)CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000157677424 276321551 /nfs/dbraw/zinc/32/15/51/276321551.db2.gz GQUYINYUNNFHON-QGZVFWFLSA-N 1 3 323.525 2.831 20 0 DFADHO CC(C)[C@@H]([NH3+])CCN(C)CCCc1nc(-c2ccccc2)no1 ZINC000430591525 429698367 /nfs/dbraw/zinc/69/83/67/429698367.db2.gz KIBZBNNAICMGHQ-INIZCTEOSA-N 1 3 316.449 2.974 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)N ZINC000430641403 429706113 /nfs/dbraw/zinc/70/61/13/429706113.db2.gz SSTRQVJPNDKUPU-BBRMVZONSA-N 1 3 307.413 2.664 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H](C)N ZINC000430641403 429706116 /nfs/dbraw/zinc/70/61/16/429706116.db2.gz SSTRQVJPNDKUPU-BBRMVZONSA-N 1 3 307.413 2.664 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)N ZINC000430641404 429706241 /nfs/dbraw/zinc/70/62/41/429706241.db2.gz SSTRQVJPNDKUPU-CJNGLKHVSA-N 1 3 307.413 2.664 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](C)N ZINC000430641404 429706244 /nfs/dbraw/zinc/70/62/44/429706244.db2.gz SSTRQVJPNDKUPU-CJNGLKHVSA-N 1 3 307.413 2.664 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H](N)c2ccccc2)C[C@@H]1C ZINC000430797353 429716990 /nfs/dbraw/zinc/71/69/90/429716990.db2.gz OMTBLZVFQZNEEQ-MVJTYMMSSA-N 1 3 317.477 2.654 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H](N)c2ccccc2)C[C@@H]1C ZINC000430797353 429716996 /nfs/dbraw/zinc/71/69/96/429716996.db2.gz OMTBLZVFQZNEEQ-MVJTYMMSSA-N 1 3 317.477 2.654 20 0 DFADHO C[NH2+]C[C@@H]1CCN(CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430931437 429724387 /nfs/dbraw/zinc/72/43/87/429724387.db2.gz CYHZUNDRTPVHPH-HNNXBMFYSA-N 1 3 311.429 2.710 20 0 DFADHO CCOc1ccc(CN2CCC3(CC[NH2+]C3)CC2)cc1OC ZINC000430942459 429727085 /nfs/dbraw/zinc/72/70/85/429727085.db2.gz LYRAWXBZJAXYMI-UHFFFAOYSA-N 1 3 304.434 2.669 20 0 DFADHO C[C@H]1CN(CCC(=O)Nc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000430964948 429732364 /nfs/dbraw/zinc/73/23/64/429732364.db2.gz JUTKUYVGHXVAJG-WMLDXEAASA-N 1 3 311.429 2.838 20 0 DFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000431062424 429737738 /nfs/dbraw/zinc/73/77/38/429737738.db2.gz QCTLHQKCCFCFNS-DOTOQJQBSA-N 1 3 315.461 2.600 20 0 DFADHO CN1CCC([NH2+][C@H]2C[C@H](C3CC3)N(Cc3ccccc3)C2)CC1 ZINC000367893976 429737816 /nfs/dbraw/zinc/73/78/16/429737816.db2.gz AOKUDSYQTSXWOR-VQTJNVASSA-N 1 3 313.489 2.723 20 0 DFADHO CCCN(CCC(=O)Nc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000431085183 429742666 /nfs/dbraw/zinc/74/26/66/429742666.db2.gz MZCFBMCZUJJRNC-UHFFFAOYSA-N 1 3 307.413 2.618 20 0 DFADHO CCc1nn(C)c(Cl)c1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000368135993 429796276 /nfs/dbraw/zinc/79/62/76/429796276.db2.gz SIDVHWYXMJUFBZ-AWEZNQCLSA-N 1 3 324.900 2.800 20 0 DFADHO CCCCC[C@@H]1CCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000486812013 429750906 /nfs/dbraw/zinc/75/09/06/429750906.db2.gz YCKQFMMGCGHLIZ-QGZVFWFLSA-N 1 3 321.509 2.774 20 0 DFADHO Cc1n[nH]cc1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000367958556 429751899 /nfs/dbraw/zinc/75/18/99/429751899.db2.gz DPNPLVBLPOKZSY-MJGOQNOKSA-N 1 3 310.445 2.672 20 0 DFADHO Cc1n[nH]cc1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000367958556 429751904 /nfs/dbraw/zinc/75/19/04/429751904.db2.gz DPNPLVBLPOKZSY-MJGOQNOKSA-N 1 3 310.445 2.672 20 0 DFADHO CCCCC[C@H]1CCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000486813696 429752152 /nfs/dbraw/zinc/75/21/52/429752152.db2.gz VQTITDYGNYODGO-KRWDZBQOSA-N 1 3 309.498 2.632 20 0 DFADHO CC(C)(C)N1CCC([NH2+][C@H]2COc3ccc(F)cc3C2)CC1 ZINC000368006870 429764150 /nfs/dbraw/zinc/76/41/50/429764150.db2.gz OQODWBBSPVDYKG-MRXNPFEDSA-N 1 3 306.425 2.982 20 0 DFADHO C[C@@H](CNC(=O)[C@H]1CCCCN1C1CCCC1)C[NH+]1CCCC1 ZINC000431724964 429779582 /nfs/dbraw/zinc/77/95/82/429779582.db2.gz XWCMKKKYDIZSOR-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000451194659 429785567 /nfs/dbraw/zinc/78/55/67/429785567.db2.gz WHZLOXBSDLUAOD-SJLPKXTDSA-N 1 3 321.509 2.726 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CCN1C ZINC000431861775 429787614 /nfs/dbraw/zinc/78/76/14/429787614.db2.gz VZMSAXCPJFUKPU-NJAFHUGGSA-N 1 3 317.477 2.621 20 0 DFADHO C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCN1C1CCCCC1 ZINC000527946601 429825119 /nfs/dbraw/zinc/82/51/19/429825119.db2.gz HTWWGODESYKUGI-LJQANCHMSA-N 1 3 305.510 2.857 20 0 DFADHO Cc1ncc(CN2CC[C@H](Nc3cc[nH+]c(C)c3)[C@H](C)C2)s1 ZINC000368410505 429843920 /nfs/dbraw/zinc/84/39/20/429843920.db2.gz LLRZNCGUDBKVKF-PXAZEXFGSA-N 1 3 316.474 2.899 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368445212 429850338 /nfs/dbraw/zinc/85/03/38/429850338.db2.gz ITNNDCRKWAOJEX-SOLBZPMBSA-N 1 3 315.461 2.644 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368445212 429850340 /nfs/dbraw/zinc/85/03/40/429850340.db2.gz ITNNDCRKWAOJEX-SOLBZPMBSA-N 1 3 315.461 2.644 20 0 DFADHO CCN(C(=O)[C@H](C)[C@H](C)[NH3+])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000493953589 429851082 /nfs/dbraw/zinc/85/10/82/429851082.db2.gz VJXBRWRMHQFYFE-HPFXQQBRSA-N 1 3 317.477 2.654 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368445211 429851139 /nfs/dbraw/zinc/85/11/39/429851139.db2.gz ITNNDCRKWAOJEX-RYRKJORJSA-N 1 3 315.461 2.644 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368445211 429851141 /nfs/dbraw/zinc/85/11/41/429851141.db2.gz ITNNDCRKWAOJEX-RYRKJORJSA-N 1 3 315.461 2.644 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)N1CCCCC1 ZINC000368460648 429852939 /nfs/dbraw/zinc/85/29/39/429852939.db2.gz AUEFYGXNSAYEJI-QGZVFWFLSA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)N1CCCCC1 ZINC000368460648 429852941 /nfs/dbraw/zinc/85/29/41/429852941.db2.gz AUEFYGXNSAYEJI-QGZVFWFLSA-N 1 3 321.509 2.584 20 0 DFADHO COc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000368479077 429855002 /nfs/dbraw/zinc/85/50/02/429855002.db2.gz YVUPSNNVZOAJQO-RDTXWAMCSA-N 1 3 316.445 2.983 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@]2(CC)CC[NH2+]C2)c1 ZINC000368510288 429858915 /nfs/dbraw/zinc/85/89/15/429858915.db2.gz NNISZDDWJQYCPZ-SFHVURJKSA-N 1 3 303.450 2.857 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000528409007 429885970 /nfs/dbraw/zinc/88/59/70/429885970.db2.gz VSLJPFZOANSFPK-UHOSZYNNSA-N 1 3 320.452 2.799 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000528409007 429885972 /nfs/dbraw/zinc/88/59/72/429885972.db2.gz VSLJPFZOANSFPK-UHOSZYNNSA-N 1 3 320.452 2.799 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000528409007 429885974 /nfs/dbraw/zinc/88/59/74/429885974.db2.gz VSLJPFZOANSFPK-UHOSZYNNSA-N 1 3 320.452 2.799 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000528409007 429885975 /nfs/dbraw/zinc/88/59/75/429885975.db2.gz VSLJPFZOANSFPK-UHOSZYNNSA-N 1 3 320.452 2.799 20 0 DFADHO COc1cccc(C[N@H+](C)C2CCN(C3CCOCC3)CC2)c1 ZINC000368874657 429899212 /nfs/dbraw/zinc/89/92/12/429899212.db2.gz HRLSWNKBPUQFBO-UHFFFAOYSA-N 1 3 318.461 2.770 20 0 DFADHO COc1cccc(C[N@@H+](C)C2CCN(C3CCOCC3)CC2)c1 ZINC000368874657 429899214 /nfs/dbraw/zinc/89/92/14/429899214.db2.gz HRLSWNKBPUQFBO-UHFFFAOYSA-N 1 3 318.461 2.770 20 0 DFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000369021048 429908302 /nfs/dbraw/zinc/90/83/02/429908302.db2.gz GXFAIHFYTGZEQA-MSOLQXFVSA-N 1 3 321.509 2.585 20 0 DFADHO C[N@H+](C[C@H](O)CN1CC[C@@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745440 429911499 /nfs/dbraw/zinc/91/14/99/429911499.db2.gz PVOUMRDQRJMGDI-ROUUACIJSA-N 1 3 320.452 2.849 20 0 DFADHO C[N@@H+](C[C@H](O)CN1CC[C@@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745440 429911500 /nfs/dbraw/zinc/91/15/00/429911500.db2.gz PVOUMRDQRJMGDI-ROUUACIJSA-N 1 3 320.452 2.849 20 0 DFADHO COC(=O)c1ccc(CN2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000369199609 429918978 /nfs/dbraw/zinc/91/89/78/429918978.db2.gz YOHWCZMHZPLPPB-UHFFFAOYSA-N 1 3 316.445 2.781 20 0 DFADHO c1ccc(CCN2CC[C@@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000369328466 429924016 /nfs/dbraw/zinc/92/40/16/429924016.db2.gz BDZYTGYKENZEAW-ROUUACIJSA-N 1 3 304.503 2.894 20 0 DFADHO CCc1ccccc1CCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000369348042 429928013 /nfs/dbraw/zinc/92/80/13/429928013.db2.gz GUNISXKJLTXSQQ-SLFFLAALSA-N 1 3 316.489 2.975 20 0 DFADHO CN(C)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000558348675 429967394 /nfs/dbraw/zinc/96/73/94/429967394.db2.gz CMJKTDNYNVWJEK-QZTJIDSGSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000558348675 429967396 /nfs/dbraw/zinc/96/73/96/429967396.db2.gz CMJKTDNYNVWJEK-QZTJIDSGSA-N 1 3 317.477 2.670 20 0 DFADHO CCC[C@@H](C)N(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000557522782 429942969 /nfs/dbraw/zinc/94/29/69/429942969.db2.gz DUKIMSPLHIBKDX-MRXNPFEDSA-N 1 3 323.525 2.830 20 0 DFADHO CCc1noc(C)c1CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681998 429944398 /nfs/dbraw/zinc/94/43/98/429944398.db2.gz DLYFBDCCFKMAGL-UHFFFAOYSA-N 1 3 300.406 2.653 20 0 DFADHO CC(=O)Nc1cccc(CN2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639682715 429945175 /nfs/dbraw/zinc/94/51/75/429945175.db2.gz KUNSYQALQIEENV-UHFFFAOYSA-N 1 3 324.428 2.752 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000150966091 276789317 /nfs/dbraw/zinc/78/93/17/276789317.db2.gz CPUAFFAMJXSPMW-KRWDZBQOSA-N 1 3 319.493 2.909 20 0 DFADHO COc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000574092034 430008963 /nfs/dbraw/zinc/00/89/63/430008963.db2.gz QZFGFRIJLAQMIE-HNNXBMFYSA-N 1 3 306.425 2.998 20 0 DFADHO COc1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000559917490 430015991 /nfs/dbraw/zinc/01/59/91/430015991.db2.gz PUKYXZBMLWDNFG-XHSDSOJGSA-N 1 3 321.465 2.630 20 0 DFADHO CN(C)Cc1cccc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c1 ZINC000574191660 430020509 /nfs/dbraw/zinc/02/05/09/430020509.db2.gz HWLPHNZVDJMILW-IBGZPJMESA-N 1 3 316.420 2.581 20 0 DFADHO COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCNCC(C)(C)C1)C2 ZINC000634733960 430092470 /nfs/dbraw/zinc/09/24/70/430092470.db2.gz SQHVGPPTBGDYHU-JKSUJKDBSA-N 1 3 302.462 2.920 20 0 DFADHO CC(C)(C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)[C@@H](N)c1ccccc1 ZINC000634763476 430106908 /nfs/dbraw/zinc/10/69/08/430106908.db2.gz XMCAVFNFFOPGQH-HOTGVXAUSA-N 1 3 317.477 2.607 20 0 DFADHO CC1(C)C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000634685579 430078295 /nfs/dbraw/zinc/07/82/95/430078295.db2.gz QSOSBTOHXQBLMZ-GOSISDBHSA-N 1 3 317.477 2.841 20 0 DFADHO CN(CCC[NH+](C)C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000561310195 430086988 /nfs/dbraw/zinc/08/69/88/430086988.db2.gz AGAAGNCJELPLDH-UHFFFAOYSA-N 1 3 317.477 2.696 20 0 DFADHO CC(C)(C)N1CCC([NH2+]CCOCC(F)(F)C(F)F)CC1 ZINC000562488953 430137790 /nfs/dbraw/zinc/13/77/90/430137790.db2.gz KMERJEBGVBNDCB-UHFFFAOYSA-N 1 3 314.367 2.756 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCCN(C)C)C[C@H](C)O1 ZINC000562519573 430142077 /nfs/dbraw/zinc/14/20/77/430142077.db2.gz NWVMMQJPGNPZFO-QLPKVWCKSA-N 1 3 306.450 2.673 20 0 DFADHO CN1CCC([NH+]2CCC(N[C@H]3CCc4ccccc43)CC2)CC1 ZINC000371980214 277027166 /nfs/dbraw/zinc/02/71/66/277027166.db2.gz XAIWMVCGNXZQNO-FQEVSTJZSA-N 1 3 313.489 2.822 20 0 DFADHO CN1CCC(N2CCC([NH2+][C@H]3CCc4ccccc43)CC2)CC1 ZINC000371980214 277027168 /nfs/dbraw/zinc/02/71/68/277027168.db2.gz XAIWMVCGNXZQNO-FQEVSTJZSA-N 1 3 313.489 2.822 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCCc4ccccc43)C2)CC1 ZINC000370637901 277028780 /nfs/dbraw/zinc/02/87/80/277028780.db2.gz VVEODUGCJMZBHO-FXAWDEMLSA-N 1 3 313.489 2.822 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000371330128 277060031 /nfs/dbraw/zinc/06/00/31/277060031.db2.gz QVEDRJBFIALDCC-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000371330128 277060032 /nfs/dbraw/zinc/06/00/32/277060032.db2.gz QVEDRJBFIALDCC-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000371330128 277060034 /nfs/dbraw/zinc/06/00/34/277060034.db2.gz QVEDRJBFIALDCC-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000371330128 277060035 /nfs/dbraw/zinc/06/00/35/277060035.db2.gz QVEDRJBFIALDCC-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000634997053 430186826 /nfs/dbraw/zinc/18/68/26/430186826.db2.gz BTWSYKHMRNEHKX-NEGUBRTISA-N 1 3 321.262 2.947 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000634997053 430186832 /nfs/dbraw/zinc/18/68/32/430186832.db2.gz BTWSYKHMRNEHKX-NEGUBRTISA-N 1 3 321.262 2.947 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN([C@H]3CCN(Cc4ccccc4)C3)CC[C@H]21 ZINC000271252645 277069734 /nfs/dbraw/zinc/06/97/34/277069734.db2.gz FWYBISBXNWNNKW-HSALFYBXSA-N 1 3 313.489 2.677 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN([C@H]3CCN(Cc4ccccc4)C3)CC[C@H]21 ZINC000271252645 277069736 /nfs/dbraw/zinc/06/97/36/277069736.db2.gz FWYBISBXNWNNKW-HSALFYBXSA-N 1 3 313.489 2.677 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000371322553 277078123 /nfs/dbraw/zinc/07/81/23/277078123.db2.gz ZTQNLSBTTQSAGD-MSOLQXFVSA-N 1 3 321.509 2.585 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000371322553 277078125 /nfs/dbraw/zinc/07/81/25/277078125.db2.gz ZTQNLSBTTQSAGD-MSOLQXFVSA-N 1 3 321.509 2.585 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000371322553 277078126 /nfs/dbraw/zinc/07/81/26/277078126.db2.gz ZTQNLSBTTQSAGD-MSOLQXFVSA-N 1 3 321.509 2.585 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000371322553 277078127 /nfs/dbraw/zinc/07/81/27/277078127.db2.gz ZTQNLSBTTQSAGD-MSOLQXFVSA-N 1 3 321.509 2.585 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635006802 430194440 /nfs/dbraw/zinc/19/44/40/430194440.db2.gz SYAHKANWQMJKGI-IPHYIZQQSA-N 1 3 321.262 2.804 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635006802 430194445 /nfs/dbraw/zinc/19/44/45/430194445.db2.gz SYAHKANWQMJKGI-IPHYIZQQSA-N 1 3 321.262 2.804 20 0 DFADHO COc1cccc(C[C@@H](C)[NH2+]CC[C@H](N)Cc2ccccc2)n1 ZINC000635005354 430194522 /nfs/dbraw/zinc/19/45/22/430194522.db2.gz IFGPTTCUCFUJIH-WBVHZDCISA-N 1 3 313.445 2.571 20 0 DFADHO COc1cccc(C[C@@H](C)NCC[C@H]([NH3+])Cc2ccccc2)n1 ZINC000635005354 430194526 /nfs/dbraw/zinc/19/45/26/430194526.db2.gz IFGPTTCUCFUJIH-WBVHZDCISA-N 1 3 313.445 2.571 20 0 DFADHO CCC[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccccn1 ZINC000635007893 430194683 /nfs/dbraw/zinc/19/46/83/430194683.db2.gz GZGDDRBPKBMVEP-KRWDZBQOSA-N 1 3 311.433 2.840 20 0 DFADHO C[C@H](N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000635001422 430191319 /nfs/dbraw/zinc/19/13/19/430191319.db2.gz RVFAQYBAYYRSEG-SZHJEYTRSA-N 1 3 321.262 2.675 20 0 DFADHO COc1cccc2c1CC[C@@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635009496 430195627 /nfs/dbraw/zinc/19/56/27/430195627.db2.gz NSKHRPJSAKDQEZ-KRWDZBQOSA-N 1 3 324.428 2.599 20 0 DFADHO Oc1cccc2c1CCC[C@@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635009320 430196237 /nfs/dbraw/zinc/19/62/37/430196237.db2.gz MZIGBYDVOQGFKG-KRWDZBQOSA-N 1 3 324.428 2.686 20 0 DFADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(-n2ccnn2)c1 ZINC000635011802 430196920 /nfs/dbraw/zinc/19/69/20/430196920.db2.gz PFJJEUDCXMWERJ-HOCLYGCPSA-N 1 3 313.449 2.696 20 0 DFADHO Cc1cc(N2CCC(N[C@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)n[nH]1 ZINC000581304619 430197604 /nfs/dbraw/zinc/19/76/04/430197604.db2.gz RYSCIZXVMVPJKH-PBHICJAKSA-N 1 3 319.497 2.587 20 0 DFADHO CNC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000358269322 277243088 /nfs/dbraw/zinc/24/30/88/277243088.db2.gz UOPREWCUARDSMO-SPUZQDLCSA-N 1 3 321.509 2.534 20 0 DFADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000358269322 277243089 /nfs/dbraw/zinc/24/30/89/277243089.db2.gz UOPREWCUARDSMO-SPUZQDLCSA-N 1 3 321.509 2.534 20 0 DFADHO C[NH2+]C[C@@](C)(O)CN1CCC(CCc2ccc(C)cc2)CC1 ZINC000582008725 430260828 /nfs/dbraw/zinc/26/08/28/430260828.db2.gz ZBSFZOMNRLECSS-LJQANCHMSA-N 1 3 304.478 2.610 20 0 DFADHO CNC[C@@](C)(O)C[NH+]1CCC(CCc2ccc(C)cc2)CC1 ZINC000582008725 430260830 /nfs/dbraw/zinc/26/08/30/430260830.db2.gz ZBSFZOMNRLECSS-LJQANCHMSA-N 1 3 304.478 2.610 20 0 DFADHO OC[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)Cc1ccco1 ZINC000543769862 430264755 /nfs/dbraw/zinc/26/47/55/430264755.db2.gz PZCTVEWXFQENCE-MRXNPFEDSA-N 1 3 320.477 2.817 20 0 DFADHO OC[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)Cc1ccco1 ZINC000543769862 430264759 /nfs/dbraw/zinc/26/47/59/430264759.db2.gz PZCTVEWXFQENCE-MRXNPFEDSA-N 1 3 320.477 2.817 20 0 DFADHO C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)c1nc(-c2ccccc2)no1 ZINC000566482072 430265842 /nfs/dbraw/zinc/26/58/42/430265842.db2.gz RRTKKGDUQXXLLJ-VHDGCEQUSA-N 1 3 300.406 2.700 20 0 DFADHO Fc1ccccc1N1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000565751857 430225528 /nfs/dbraw/zinc/22/55/28/430225528.db2.gz CRCQMAOLVLOBPL-KRWDZBQOSA-N 1 3 317.452 2.868 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000582369543 430294590 /nfs/dbraw/zinc/29/45/90/430294590.db2.gz OQKIQPDVJOGDAF-HOTGVXAUSA-N 1 3 321.509 2.582 20 0 DFADHO CN(C)CCC[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000638289394 430295206 /nfs/dbraw/zinc/29/52/06/430295206.db2.gz HPKMZKLTADPLNU-IEBWSBKVSA-N 1 3 301.478 2.896 20 0 DFADHO C[N@H+](CCCNCc1c[nH]c2ncncc12)Cc1ccccc1 ZINC000638309921 430300852 /nfs/dbraw/zinc/30/08/52/430300852.db2.gz RBCMKWMNKXZIAN-UHFFFAOYSA-N 1 3 309.417 2.521 20 0 DFADHO C[N@@H+](CCCNCc1c[nH]c2ncncc12)Cc1ccccc1 ZINC000638309921 430300853 /nfs/dbraw/zinc/30/08/53/430300853.db2.gz RBCMKWMNKXZIAN-UHFFFAOYSA-N 1 3 309.417 2.521 20 0 DFADHO COC(=O)CC1(NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000567995695 430303972 /nfs/dbraw/zinc/30/39/72/430303972.db2.gz SINBXNXGIPXRMG-UHFFFAOYSA-N 1 3 316.445 2.858 20 0 DFADHO OCc1ccc(CNCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000638335141 430307961 /nfs/dbraw/zinc/30/79/61/430307961.db2.gz HKZOOOIRQMWXEX-UHFFFAOYSA-N 1 3 310.441 2.717 20 0 DFADHO OCc1ccc(CNCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000638335141 430307964 /nfs/dbraw/zinc/30/79/64/430307964.db2.gz HKZOOOIRQMWXEX-UHFFFAOYSA-N 1 3 310.441 2.717 20 0 DFADHO C[C@H](C[NH2+]C[C@H]1CCN(c2ccccc2)C1)CN1CCCC1 ZINC000638386780 430324977 /nfs/dbraw/zinc/32/49/77/430324977.db2.gz OZBVCAJECILZOI-QZTJIDSGSA-N 1 3 301.478 2.834 20 0 DFADHO CCC[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000568183364 430327366 /nfs/dbraw/zinc/32/73/66/430327366.db2.gz RPHVJBHKCGWKGP-KRWDZBQOSA-N 1 3 305.466 2.526 20 0 DFADHO CCC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000568183364 430327367 /nfs/dbraw/zinc/32/73/67/430327367.db2.gz RPHVJBHKCGWKGP-KRWDZBQOSA-N 1 3 305.466 2.526 20 0 DFADHO CCCN1CC[C@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638409112 430333413 /nfs/dbraw/zinc/33/34/13/430333413.db2.gz JDRPFTQHXDEFNG-MSOLQXFVSA-N 1 3 301.478 2.834 20 0 DFADHO CO[C@H](CNCc1cccc(C[N@H+](C)C(C)C)c1)[C@@H]1CCOC1 ZINC000638434120 430340956 /nfs/dbraw/zinc/34/09/56/430340956.db2.gz HSYFANSKPFAYOF-RTBURBONSA-N 1 3 320.477 2.668 20 0 DFADHO CO[C@H](CNCc1cccc(C[N@@H+](C)C(C)C)c1)[C@@H]1CCOC1 ZINC000638434120 430340961 /nfs/dbraw/zinc/34/09/61/430340961.db2.gz HSYFANSKPFAYOF-RTBURBONSA-N 1 3 320.477 2.668 20 0 DFADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638450781 430346958 /nfs/dbraw/zinc/34/69/58/430346958.db2.gz HMJOWOLUXXRLHY-MSOLQXFVSA-N 1 3 301.478 2.834 20 0 DFADHO CC(C)C1(C[NH2+]CC2(N3CCCCC3)CCN(C)CC2)CC1 ZINC000638693035 430411534 /nfs/dbraw/zinc/41/15/34/430411534.db2.gz PATFCKSNBHJGGL-UHFFFAOYSA-N 1 3 307.526 2.963 20 0 DFADHO C[C@@H](CO)[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638710800 430415089 /nfs/dbraw/zinc/41/50/89/430415089.db2.gz CSNHNOLLYNMCJV-QFBILLFUSA-N 1 3 304.478 2.895 20 0 DFADHO C[C@@H](CO)NC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638710800 430415094 /nfs/dbraw/zinc/41/50/94/430415094.db2.gz CSNHNOLLYNMCJV-QFBILLFUSA-N 1 3 304.478 2.895 20 0 DFADHO C[C@@H](CO)NC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638710800 430415099 /nfs/dbraw/zinc/41/50/99/430415099.db2.gz CSNHNOLLYNMCJV-QFBILLFUSA-N 1 3 304.478 2.895 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@H]1CC1(F)F ZINC000638721443 430416387 /nfs/dbraw/zinc/41/63/87/430416387.db2.gz ZKUHACIGMNJGTK-SUMWQHHRSA-N 1 3 324.415 2.777 20 0 DFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@@H]1CC1(F)F ZINC000638721438 430416792 /nfs/dbraw/zinc/41/67/92/430416792.db2.gz ZKUHACIGMNJGTK-DYVFJYSZSA-N 1 3 324.415 2.777 20 0 DFADHO CNC[C@](C)(O)C[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000582969371 430352655 /nfs/dbraw/zinc/35/26/55/430352655.db2.gz AINGNIYOGZVJPB-WMZOPIPTSA-N 1 3 318.486 2.900 20 0 DFADHO CC[C@@](C)(C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)OC ZINC000638521994 430367622 /nfs/dbraw/zinc/36/76/22/430367622.db2.gz TXZRSUVRBHRUSQ-OALUTQOASA-N 1 3 304.478 2.956 20 0 DFADHO CCC[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)OC ZINC000638521309 430367720 /nfs/dbraw/zinc/36/77/20/430367720.db2.gz GKIJCECOKDENHP-RTBURBONSA-N 1 3 304.478 2.956 20 0 DFADHO CCC[C@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)OC ZINC000638521309 430367723 /nfs/dbraw/zinc/36/77/23/430367723.db2.gz GKIJCECOKDENHP-RTBURBONSA-N 1 3 304.478 2.956 20 0 DFADHO CCC[C@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)OC ZINC000638521309 430367728 /nfs/dbraw/zinc/36/77/28/430367728.db2.gz GKIJCECOKDENHP-RTBURBONSA-N 1 3 304.478 2.956 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)CS1 ZINC000638539288 430371340 /nfs/dbraw/zinc/37/13/40/430371340.db2.gz MLLQYGJJNPPRDR-ZBFHGGJFSA-N 1 3 308.491 2.653 20 0 DFADHO C[C@H]1C[C@H]1c1ccc(CN(C)CCC[N@H+](C)CCN(C)C)o1 ZINC000583532754 430403487 /nfs/dbraw/zinc/40/34/87/430403487.db2.gz QJORPKWGNJWRLH-DOTOQJQBSA-N 1 3 307.482 2.718 20 0 DFADHO C[C@H]1C[C@H]1c1ccc(CN(C)CCC[N@@H+](C)CCN(C)C)o1 ZINC000583532754 430403489 /nfs/dbraw/zinc/40/34/89/430403489.db2.gz QJORPKWGNJWRLH-DOTOQJQBSA-N 1 3 307.482 2.718 20 0 DFADHO C[C@H]1C[C@H]1c1ccc(CN(C)CCCN(C)CC[NH+](C)C)o1 ZINC000583532754 430403493 /nfs/dbraw/zinc/40/34/93/430403493.db2.gz QJORPKWGNJWRLH-DOTOQJQBSA-N 1 3 307.482 2.718 20 0 DFADHO C[N@H+](CCC(=O)N1CC[C@@H](N2CCCCC2)C1)C1CCCCC1 ZINC000548060843 430443270 /nfs/dbraw/zinc/44/32/70/430443270.db2.gz SVDSXHCJKHXDNN-GOSISDBHSA-N 1 3 321.509 2.728 20 0 DFADHO C[N@@H+](CCC(=O)N1CC[C@@H](N2CCCCC2)C1)C1CCCCC1 ZINC000548060843 430443273 /nfs/dbraw/zinc/44/32/73/430443273.db2.gz SVDSXHCJKHXDNN-GOSISDBHSA-N 1 3 321.509 2.728 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000569330364 430444555 /nfs/dbraw/zinc/44/45/55/430444555.db2.gz SKLVECSFUZQBQR-ZOCIIQOWSA-N 1 3 311.429 2.591 20 0 DFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1CCCCN1C(C)C ZINC000569360884 430448729 /nfs/dbraw/zinc/44/87/29/430448729.db2.gz YROWNSLJVVMWJN-QZTJIDSGSA-N 1 3 317.477 2.628 20 0 DFADHO CCOC1CC(C[NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000638837895 430449584 /nfs/dbraw/zinc/44/95/84/430449584.db2.gz ZVQIQYXAZVJAMO-UHFFFAOYSA-N 1 3 303.450 2.703 20 0 DFADHO CC(C)(C[NH3+])C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638850758 430454431 /nfs/dbraw/zinc/45/44/31/430454431.db2.gz GVBCYRYNPHZSEW-QGZVFWFLSA-N 1 3 317.477 2.532 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccncc1N ZINC000641737446 430456892 /nfs/dbraw/zinc/45/68/92/430456892.db2.gz VLLBUSHCGIRWNJ-IGOJGBNBSA-N 1 3 324.472 2.910 20 0 DFADHO CCCc1nc(C)c(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)o1 ZINC000641798752 430476677 /nfs/dbraw/zinc/47/66/77/430476677.db2.gz HSTRTWZDVLNVIE-HOTGVXAUSA-N 1 3 321.465 2.654 20 0 DFADHO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H](C)N1CCCCCC1 ZINC000547798653 430424165 /nfs/dbraw/zinc/42/41/65/430424165.db2.gz NVLNEGHLWSEEKW-SJORKVTESA-N 1 3 309.498 2.584 20 0 DFADHO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H](C)N1CCCCCC1 ZINC000547798653 430424167 /nfs/dbraw/zinc/42/41/67/430424167.db2.gz NVLNEGHLWSEEKW-SJORKVTESA-N 1 3 309.498 2.584 20 0 DFADHO Cc1ccc(CCNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000638751731 430424300 /nfs/dbraw/zinc/42/43/00/430424300.db2.gz SKMNPFMGZRPNGU-VQTJNVASSA-N 1 3 316.489 2.895 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000583806451 430429800 /nfs/dbraw/zinc/42/98/00/430429800.db2.gz HBWQXWLWQNNHHV-QZTJIDSGSA-N 1 3 323.525 2.519 20 0 DFADHO [NH3+][C@@H]1CCCCC[C@H]1NCC1(CN2CCOCC2)CCCCC1 ZINC000583806451 430429802 /nfs/dbraw/zinc/42/98/02/430429802.db2.gz HBWQXWLWQNNHHV-QZTJIDSGSA-N 1 3 323.525 2.519 20 0 DFADHO CCCc1nc(C)c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)o1 ZINC000641823010 430483367 /nfs/dbraw/zinc/48/33/67/430483367.db2.gz OZWGLFUQMWHDDW-MRXNPFEDSA-N 1 3 321.465 2.526 20 0 DFADHO CSC[C@@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000570202539 430521551 /nfs/dbraw/zinc/52/15/51/430521551.db2.gz MZVLHTRZYSIQGQ-MSOLQXFVSA-N 1 3 322.518 2.602 20 0 DFADHO CSC[C@@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000570202539 430521555 /nfs/dbraw/zinc/52/15/55/430521555.db2.gz MZVLHTRZYSIQGQ-MSOLQXFVSA-N 1 3 322.518 2.602 20 0 DFADHO CSC[C@@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000570202539 430521556 /nfs/dbraw/zinc/52/15/56/430521556.db2.gz MZVLHTRZYSIQGQ-MSOLQXFVSA-N 1 3 322.518 2.602 20 0 DFADHO C[C@H](N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000643451870 430600884 /nfs/dbraw/zinc/60/08/84/430600884.db2.gz NIMVKBUIBRPPPF-YTQUADARSA-N 1 3 301.478 2.944 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)Cc1cccc2ncccc12 ZINC000639185439 430562430 /nfs/dbraw/zinc/56/24/30/430562430.db2.gz APFXMWLZWOZCGF-UHFFFAOYSA-N 1 3 314.477 2.550 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)Cc1cccc2ncccc12 ZINC000639185439 430562433 /nfs/dbraw/zinc/56/24/33/430562433.db2.gz APFXMWLZWOZCGF-UHFFFAOYSA-N 1 3 314.477 2.550 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000643451856 430601593 /nfs/dbraw/zinc/60/15/93/430601593.db2.gz LJKZNCHVQSNWGC-OALUTQOASA-N 1 3 319.493 2.557 20 0 DFADHO C[NH+](C)CCOCCN[C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000570896410 430587699 /nfs/dbraw/zinc/58/76/99/430587699.db2.gz KBRNMCBCRVTZBE-SFHVURJKSA-N 1 3 318.461 2.557 20 0 DFADHO CN(C)Cc1ccc(NC2CC[NH+](CC(C)(C)O)CC2)c(F)c1 ZINC000639262778 430590833 /nfs/dbraw/zinc/59/08/33/430590833.db2.gz LUAQRRCFCJFDLK-UHFFFAOYSA-N 1 3 323.456 2.535 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457547 430604274 /nfs/dbraw/zinc/60/42/74/430604274.db2.gz KXABGFSRFZEBLP-XZJROXQQSA-N 1 3 321.852 2.706 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462720 430604939 /nfs/dbraw/zinc/60/49/39/430604939.db2.gz CQLXXVPSLZQNFY-DUVNUKRYSA-N 1 3 309.404 2.651 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462720 430604941 /nfs/dbraw/zinc/60/49/41/430604941.db2.gz CQLXXVPSLZQNFY-DUVNUKRYSA-N 1 3 309.404 2.651 20 0 DFADHO OCc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000643478189 430606691 /nfs/dbraw/zinc/60/66/91/430606691.db2.gz BCLKZDJJKNKDSK-GUDVDZBRSA-N 1 3 302.462 2.622 20 0 DFADHO OCc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)cc1 ZINC000643478189 430606695 /nfs/dbraw/zinc/60/66/95/430606695.db2.gz BCLKZDJJKNKDSK-GUDVDZBRSA-N 1 3 302.462 2.622 20 0 DFADHO CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)cc1 ZINC000643493856 430608788 /nfs/dbraw/zinc/60/87/88/430608788.db2.gz WDKLRDYKHWNSDT-QGWWYQLQSA-N 1 3 320.477 2.606 20 0 DFADHO COC[C@H](NCC1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000643497177 430608865 /nfs/dbraw/zinc/60/88/65/430608865.db2.gz KNNWSUANFDGPNY-AWEZNQCLSA-N 1 3 300.805 2.756 20 0 DFADHO CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)cc1 ZINC000643493857 430609213 /nfs/dbraw/zinc/60/92/13/430609213.db2.gz WDKLRDYKHWNSDT-STEAMIEHSA-N 1 3 320.477 2.606 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCNCC2)c(C)c1OC ZINC000643522533 430612560 /nfs/dbraw/zinc/61/25/60/430612560.db2.gz ONTPRGSDDJNSKV-CZUORRHYSA-N 1 3 306.450 2.675 20 0 DFADHO COc1ccc(C[C@@H](C)N[C@@H]2CCC[NH2+]CC2)c(C)c1OC ZINC000643522533 430612562 /nfs/dbraw/zinc/61/25/62/430612562.db2.gz ONTPRGSDDJNSKV-CZUORRHYSA-N 1 3 306.450 2.675 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545679 430615284 /nfs/dbraw/zinc/61/52/84/430615284.db2.gz AHUFSTHRIIETSU-GOEBONIOSA-N 1 3 301.434 2.668 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643545679 430615286 /nfs/dbraw/zinc/61/52/86/430615286.db2.gz AHUFSTHRIIETSU-GOEBONIOSA-N 1 3 301.434 2.668 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1ccc(-n2cncn2)cc1 ZINC000643545888 430616058 /nfs/dbraw/zinc/61/60/58/430616058.db2.gz DXIJZQMCKNFYGS-GDBMZVCRSA-N 1 3 311.433 2.593 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000643548566 430616148 /nfs/dbraw/zinc/61/61/48/430616148.db2.gz RDEMOTSQEGDSOF-PMPSAXMXSA-N 1 3 302.466 2.711 20 0 DFADHO Cc1cnn([C@@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)c1 ZINC000571411109 430627036 /nfs/dbraw/zinc/62/70/36/430627036.db2.gz RTJZGJQSGBPYTG-LJQANCHMSA-N 1 3 310.445 2.674 20 0 DFADHO C[C@@H]([NH2+]C1CCNCC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000571651871 430644008 /nfs/dbraw/zinc/64/40/08/430644008.db2.gz DJXPZXXGMDJWQS-CQSZACIVSA-N 1 3 324.428 2.737 20 0 DFADHO C[C@@H]1CC[N@H+](CC[C@@H]2CCCN2C)C[C@H]1C(=O)OC(C)(C)C ZINC000572479855 430688548 /nfs/dbraw/zinc/68/85/48/430688548.db2.gz NDYZNWMMPWVPRB-OWCLPIDISA-N 1 3 310.482 2.770 20 0 DFADHO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCN2C)C[C@H]1C(=O)OC(C)(C)C ZINC000572479855 430688550 /nfs/dbraw/zinc/68/85/50/430688550.db2.gz NDYZNWMMPWVPRB-OWCLPIDISA-N 1 3 310.482 2.770 20 0 DFADHO CC(C)n1cc2c(n1)C[C@H](N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000358287153 278130114 /nfs/dbraw/zinc/13/01/14/278130114.db2.gz IWDPROZZPLWYII-IXDOHACOSA-N 1 3 302.466 2.538 20 0 DFADHO CC(C)n1cc2c(n1)C[C@H](N[C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000358287153 278130115 /nfs/dbraw/zinc/13/01/15/278130115.db2.gz IWDPROZZPLWYII-IXDOHACOSA-N 1 3 302.466 2.538 20 0 DFADHO CCn1c2ccccc2nc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000556782411 430692234 /nfs/dbraw/zinc/69/22/34/430692234.db2.gz XQNJOIUNDOAXML-OAHLLOKOSA-N 1 3 300.450 2.878 20 0 DFADHO CCn1c2ccccc2nc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000556782411 430692235 /nfs/dbraw/zinc/69/22/35/430692235.db2.gz XQNJOIUNDOAXML-OAHLLOKOSA-N 1 3 300.450 2.878 20 0 DFADHO CC1(C)CC([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC(C)(C)N1 ZINC000314766970 278191070 /nfs/dbraw/zinc/19/10/70/278191070.db2.gz JBVUPNVXHJCDIM-CMPLNLGQSA-N 1 3 308.388 2.995 20 0 DFADHO CC(=O)Nc1ccccc1CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000366958125 278212530 /nfs/dbraw/zinc/21/25/30/278212530.db2.gz JIVUNBBBOOTKAO-UHFFFAOYSA-N 1 3 315.461 2.953 20 0 DFADHO CC(C)[NH2+]CCC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000556792582 430692807 /nfs/dbraw/zinc/69/28/07/430692807.db2.gz NIUAUVSCQBYUKD-UHFFFAOYSA-N 1 3 303.450 2.999 20 0 DFADHO CCCC(C)(C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000572733057 430696633 /nfs/dbraw/zinc/69/66/33/430696633.db2.gz YEORNMRWPPUFCI-UHFFFAOYSA-N 1 3 323.525 2.878 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN[C@H](C)C1(c2ccccc2)CCCC1 ZINC000572896578 430698132 /nfs/dbraw/zinc/69/81/32/430698132.db2.gz WVQRWXALRIXDEL-AEFFLSMTSA-N 1 3 304.478 2.789 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN[C@H](C)C1(c2ccccc2)CCCC1 ZINC000572896578 430698133 /nfs/dbraw/zinc/69/81/33/430698133.db2.gz WVQRWXALRIXDEL-AEFFLSMTSA-N 1 3 304.478 2.789 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCN[C@H]2CCCc3c2cnn3C)C1 ZINC000247140686 278341945 /nfs/dbraw/zinc/34/19/45/278341945.db2.gz SHULJKMBWNCRDH-RDJZCZTQSA-N 1 3 304.482 2.899 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCN[C@H]2CCCc3c2cnn3C)C1 ZINC000247140686 278341948 /nfs/dbraw/zinc/34/19/48/278341948.db2.gz SHULJKMBWNCRDH-RDJZCZTQSA-N 1 3 304.482 2.899 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)C1CCCCC1 ZINC000556874962 430695506 /nfs/dbraw/zinc/69/55/06/430695506.db2.gz HRNARYJQZMABII-ZSYWTGECSA-N 1 3 307.526 2.959 20 0 DFADHO CO[C@@H](C[NH2+]Cc1ccc(OCCN(C)C)cc1)C1CCCC1 ZINC000657766455 430729613 /nfs/dbraw/zinc/72/96/13/430729613.db2.gz IQWTYVWPUXWRPL-IBGZPJMESA-N 1 3 320.477 2.922 20 0 DFADHO CC(C)[NH+]1CCC(NCCC(=O)Nc2ccccc2F)CC1 ZINC000644513451 430739677 /nfs/dbraw/zinc/73/96/77/430739677.db2.gz IZKRRGREVGMRBF-UHFFFAOYSA-N 1 3 307.413 2.617 20 0 DFADHO Cn1ncc(C2CCC2)c1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657816652 430744587 /nfs/dbraw/zinc/74/45/87/430744587.db2.gz YUHLBCHRHLCUNN-UHFFFAOYSA-N 1 3 316.493 2.899 20 0 DFADHO COC[C@@H](CC1CCOCC1)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000657844175 430752361 /nfs/dbraw/zinc/75/23/61/430752361.db2.gz OVUYPSZDVMHWHB-FUHWJXTLSA-N 1 3 312.498 2.530 20 0 DFADHO COC[C@@H](CC1CCOCC1)NC[C@H](C)C[NH+]1CCCCC1 ZINC000657844175 430752367 /nfs/dbraw/zinc/75/23/67/430752367.db2.gz OVUYPSZDVMHWHB-FUHWJXTLSA-N 1 3 312.498 2.530 20 0 DFADHO CC1(C)C[N@H+](CCO)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836864 430758866 /nfs/dbraw/zinc/75/88/66/430758866.db2.gz RIYUPHKIRLJLTK-SFHVURJKSA-N 1 3 302.462 2.601 20 0 DFADHO CC1(C)C[N@@H+](CCO)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836864 430758869 /nfs/dbraw/zinc/75/88/69/430758869.db2.gz RIYUPHKIRLJLTK-SFHVURJKSA-N 1 3 302.462 2.601 20 0 DFADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000358235099 278511161 /nfs/dbraw/zinc/51/11/61/278511161.db2.gz HZNYDTHLBBCAND-HWWDLCQESA-N 1 3 305.466 2.936 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCCSCC2)C1 ZINC000657969744 430777829 /nfs/dbraw/zinc/77/78/29/430777829.db2.gz UJIYHMZTEVDLBP-ZWKOTPCHSA-N 1 3 320.502 2.629 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000658136417 430820940 /nfs/dbraw/zinc/82/09/40/430820940.db2.gz IEPVQRUHIOKYHX-RTBURBONSA-N 1 3 302.462 2.922 20 0 DFADHO CC(C)c1nn(C)c(N(C)C)c1CNCCCC[N@H+](C)C1CC1 ZINC000651600481 430829136 /nfs/dbraw/zinc/82/91/36/430829136.db2.gz GXEJNKZJVZSFGF-UHFFFAOYSA-N 1 3 321.513 2.574 20 0 DFADHO CC(C)c1nn(C)c(N(C)C)c1CNCCCC[N@@H+](C)C1CC1 ZINC000651600481 430829140 /nfs/dbraw/zinc/82/91/40/430829140.db2.gz GXEJNKZJVZSFGF-UHFFFAOYSA-N 1 3 321.513 2.574 20 0 DFADHO COC[C@@H](N[C@@H](C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000658162545 430831070 /nfs/dbraw/zinc/83/10/70/430831070.db2.gz FIZBRWPZYBMHPX-KBXCAEBGSA-N 1 3 306.450 2.703 20 0 DFADHO COC1([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)CCC1 ZINC000658164349 430831240 /nfs/dbraw/zinc/83/12/40/430831240.db2.gz NIAMGXWRYXDJJR-MRXNPFEDSA-N 1 3 317.477 2.841 20 0 DFADHO C[C@H](NCCO[C@H]1CC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658170854 430833070 /nfs/dbraw/zinc/83/30/70/430833070.db2.gz VFZCHDROEFQBDU-XIRDDKMYSA-N 1 3 324.415 2.911 20 0 DFADHO C[C@H](NCCO[C@H]1CC1(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658170854 430833074 /nfs/dbraw/zinc/83/30/74/430833074.db2.gz VFZCHDROEFQBDU-XIRDDKMYSA-N 1 3 324.415 2.911 20 0 DFADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CCOC1 ZINC000658166789 430833209 /nfs/dbraw/zinc/83/32/09/430833209.db2.gz OVIDCAHKMWPPRP-RBUKOAKNSA-N 1 3 317.477 2.698 20 0 DFADHO Cc1n[nH]cc1[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165722 430833399 /nfs/dbraw/zinc/83/33/99/430833399.db2.gz KXSVHMWHJIACSH-CQSZACIVSA-N 1 3 313.449 2.676 20 0 DFADHO C[C@H](NCCO[C@H]1CC1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658170852 430834530 /nfs/dbraw/zinc/83/45/30/430834530.db2.gz VFZCHDROEFQBDU-UAGQMJEPSA-N 1 3 324.415 2.911 20 0 DFADHO C[C@H](NCCO[C@H]1CC1(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658170852 430834535 /nfs/dbraw/zinc/83/45/35/430834535.db2.gz VFZCHDROEFQBDU-UAGQMJEPSA-N 1 3 324.415 2.911 20 0 DFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCCN(C)C2)CC1 ZINC000648432552 430784412 /nfs/dbraw/zinc/78/44/12/430784412.db2.gz XDAWZWKJCQOMCQ-PXNSSMCTSA-N 1 3 315.505 2.766 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCCN(C)C2)CC1 ZINC000648432552 430784416 /nfs/dbraw/zinc/78/44/16/430784416.db2.gz XDAWZWKJCQOMCQ-PXNSSMCTSA-N 1 3 315.505 2.766 20 0 DFADHO CN1C[C@@H](CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000658242773 430851602 /nfs/dbraw/zinc/85/16/02/430851602.db2.gz VNCHLLFQIVYABT-OAHLLOKOSA-N 1 3 323.525 2.734 20 0 DFADHO CN1C[C@@H](C[NH2+]C2CCN(C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000658242773 430851607 /nfs/dbraw/zinc/85/16/07/430851607.db2.gz VNCHLLFQIVYABT-OAHLLOKOSA-N 1 3 323.525 2.734 20 0 DFADHO COc1cc(OC)c(CNCCC2CC[NH+](C)CC2)cc1F ZINC000651705819 430854489 /nfs/dbraw/zinc/85/44/89/430854489.db2.gz HFYZRTPYTPYFIU-UHFFFAOYSA-N 1 3 310.413 2.664 20 0 DFADHO Fc1c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cccc1OC1CC1 ZINC000665244046 430866063 /nfs/dbraw/zinc/86/60/63/430866063.db2.gz FNRXQPXJCPFWFB-AEGPPILISA-N 1 3 304.409 2.845 20 0 DFADHO CO[C@@H]1CCC[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000665253831 430869724 /nfs/dbraw/zinc/86/97/24/430869724.db2.gz ANVGTNVSJSKLGW-BRSBDYLESA-N 1 3 306.425 2.818 20 0 DFADHO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000665257525 430873005 /nfs/dbraw/zinc/87/30/05/430873005.db2.gz LVWIQGNWNYWYOT-PAYONLEZSA-N 1 3 306.425 2.676 20 0 DFADHO CNC(=O)CC1(CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)CCCCC1 ZINC000665275513 430878013 /nfs/dbraw/zinc/87/80/13/430878013.db2.gz MFAAZKFKRCZRGC-DLBZAZTESA-N 1 3 323.525 2.973 20 0 DFADHO CC(C)(C)N1CCC([NH2+]CC2(CC(N)=O)CCCCC2)CC1 ZINC000658336988 430878726 /nfs/dbraw/zinc/87/87/26/430878726.db2.gz DTQCRGKPEIGVEL-UHFFFAOYSA-N 1 3 309.498 2.665 20 0 DFADHO CNC(=O)CC1(CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)CCCCC1 ZINC000665275516 430879130 /nfs/dbraw/zinc/87/91/30/430879130.db2.gz MFAAZKFKRCZRGC-SJORKVTESA-N 1 3 323.525 2.973 20 0 DFADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000665280993 430881290 /nfs/dbraw/zinc/88/12/90/430881290.db2.gz REUIQPSIIIOBSJ-CXAGYDPISA-N 1 3 318.465 2.995 20 0 DFADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000665281199 430881439 /nfs/dbraw/zinc/88/14/39/430881439.db2.gz WWICKKXWQFWLAB-MAUKXSAKSA-N 1 3 305.466 2.547 20 0 DFADHO C[C@@H](NCC1CC[NH+](CC2CC2)CC1)c1cc2n(n1)CCC2 ZINC000658353320 430882703 /nfs/dbraw/zinc/88/27/03/430882703.db2.gz LQQNNGPWLQLTAU-CQSZACIVSA-N 1 3 302.466 2.602 20 0 DFADHO O[C@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000658347833 430883021 /nfs/dbraw/zinc/88/30/21/430883021.db2.gz HTHVCVVTQHAAJC-LTFXXXRZSA-N 1 3 300.446 2.543 20 0 DFADHO O[C@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000658347833 430883023 /nfs/dbraw/zinc/88/30/23/430883023.db2.gz HTHVCVVTQHAAJC-LTFXXXRZSA-N 1 3 300.446 2.543 20 0 DFADHO O[C@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000658347831 430883107 /nfs/dbraw/zinc/88/31/07/430883107.db2.gz HTHVCVVTQHAAJC-FVVUREQNSA-N 1 3 300.446 2.543 20 0 DFADHO O[C@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000658347831 430883110 /nfs/dbraw/zinc/88/31/10/430883110.db2.gz HTHVCVVTQHAAJC-FVVUREQNSA-N 1 3 300.446 2.543 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC000648768105 430884472 /nfs/dbraw/zinc/88/44/72/430884472.db2.gz PZKMQKYJOPYSMA-BFYDXBDKSA-N 1 3 317.477 2.572 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000648768105 430884479 /nfs/dbraw/zinc/88/44/79/430884479.db2.gz PZKMQKYJOPYSMA-BFYDXBDKSA-N 1 3 317.477 2.572 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cccc2c1CCC2 ZINC000651808503 430884460 /nfs/dbraw/zinc/88/44/60/430884460.db2.gz TZEMXNPLYVWNAV-UHFFFAOYSA-N 1 3 315.505 2.633 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccc2c1CCC2 ZINC000651808503 430884466 /nfs/dbraw/zinc/88/44/66/430884466.db2.gz TZEMXNPLYVWNAV-UHFFFAOYSA-N 1 3 315.505 2.633 20 0 DFADHO CC(C)(CNCc1cc(C2CC[NH2+]CC2)no1)[C@H]1CCCCO1 ZINC000645075924 430896979 /nfs/dbraw/zinc/89/69/79/430896979.db2.gz YWZNNXXASVQMFN-QGZVFWFLSA-N 1 3 321.465 2.827 20 0 DFADHO C[C@@H](CN1CCN(CC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000645076835 430897191 /nfs/dbraw/zinc/89/71/91/430897191.db2.gz XHDCVSHNLBHDIR-SFHVURJKSA-N 1 3 307.526 2.916 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC[C@]2(CO)CCc3ccccc32)CC1 ZINC000651884824 430905128 /nfs/dbraw/zinc/90/51/28/430905128.db2.gz QJMHJEWQOTUBJZ-FQEVSTJZSA-N 1 3 316.489 2.715 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@]2(CO)CCc3ccccc32)CC1 ZINC000651884824 430905133 /nfs/dbraw/zinc/90/51/33/430905133.db2.gz QJMHJEWQOTUBJZ-FQEVSTJZSA-N 1 3 316.489 2.715 20 0 DFADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCCC1 ZINC000655348569 430971875 /nfs/dbraw/zinc/97/18/75/430971875.db2.gz BZJOXLHHELASOX-RCCFBDPRSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCCC1 ZINC000655348569 430971880 /nfs/dbraw/zinc/97/18/80/430971880.db2.gz BZJOXLHHELASOX-RCCFBDPRSA-N 1 3 321.509 2.630 20 0 DFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCCC1 ZINC000655351181 430973073 /nfs/dbraw/zinc/97/30/73/430973073.db2.gz PGRHTBQBMJBMQJ-IAGOWNOFSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652153319 430975067 /nfs/dbraw/zinc/97/50/67/430975067.db2.gz GURVQHKUVMVRNG-SFHVURJKSA-N 1 3 317.477 2.749 20 0 DFADHO CC(C)CN(C)CCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000652222014 430991377 /nfs/dbraw/zinc/99/13/77/430991377.db2.gz CPSCBGRFBJRHKP-UHFFFAOYSA-N 1 3 310.404 2.790 20 0 DFADHO CC(C)C[N@H+](C)CCCNC1CCC(O)(C(F)(F)F)CC1 ZINC000652222014 430991381 /nfs/dbraw/zinc/99/13/81/430991381.db2.gz CPSCBGRFBJRHKP-UHFFFAOYSA-N 1 3 310.404 2.790 20 0 DFADHO CC(C)C[N@@H+](C)CCCNC1CCC(O)(C(F)(F)F)CC1 ZINC000652222014 430991386 /nfs/dbraw/zinc/99/13/86/430991386.db2.gz CPSCBGRFBJRHKP-UHFFFAOYSA-N 1 3 310.404 2.790 20 0 DFADHO CC[N@H+](CCOc1ccccc1OC)CC[C@H]1CCCN1C ZINC000662205543 430997936 /nfs/dbraw/zinc/99/79/36/430997936.db2.gz PWVHNFGVTHEZLP-MRXNPFEDSA-N 1 3 306.450 2.880 20 0 DFADHO CC[N@@H+](CCOc1ccccc1OC)CC[C@H]1CCCN1C ZINC000662205543 430997941 /nfs/dbraw/zinc/99/79/41/430997941.db2.gz PWVHNFGVTHEZLP-MRXNPFEDSA-N 1 3 306.450 2.880 20 0 DFADHO CCCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCN(C)C1 ZINC000648996658 430964101 /nfs/dbraw/zinc/96/41/01/430964101.db2.gz XLRDWZBSOCKJRE-ROUUACIJSA-N 1 3 317.477 2.622 20 0 DFADHO c1ccc(NC[C@H]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)nc1 ZINC000652340018 431024769 /nfs/dbraw/zinc/02/47/69/431024769.db2.gz YHWFPBLLYBRYFO-QGZVFWFLSA-N 1 3 322.456 2.661 20 0 DFADHO c1ccc(NC[C@@H]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)nc1 ZINC000652340017 431025967 /nfs/dbraw/zinc/02/59/67/431025967.db2.gz YHWFPBLLYBRYFO-KRWDZBQOSA-N 1 3 322.456 2.661 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000655493320 431029472 /nfs/dbraw/zinc/02/94/72/431029472.db2.gz FTFFRQDMJFUCTN-UHFFFAOYSA-N 1 3 309.498 2.619 20 0 DFADHO COc1ccc([C@H](CN)C[NH+]2CCC3(CC3(F)F)CC2)cc1 ZINC000652353239 431030024 /nfs/dbraw/zinc/03/00/24/431030024.db2.gz WEVPAKHOOMXVHL-CQSZACIVSA-N 1 3 310.388 2.859 20 0 DFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2NCC2(C)C)cc1 ZINC000645551002 431030980 /nfs/dbraw/zinc/03/09/80/431030980.db2.gz CGMGGVMORNYBPO-YOEHRIQHSA-N 1 3 315.461 2.998 20 0 DFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2NCC2(C)C)cc1 ZINC000645551002 431030984 /nfs/dbraw/zinc/03/09/84/431030984.db2.gz CGMGGVMORNYBPO-YOEHRIQHSA-N 1 3 315.461 2.998 20 0 DFADHO Fc1cccc(C2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1F ZINC000662282330 431031909 /nfs/dbraw/zinc/03/19/09/431031909.db2.gz GCVHDUSZEOQYQR-AWEZNQCLSA-N 1 3 322.399 2.665 20 0 DFADHO c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662281707 431031996 /nfs/dbraw/zinc/03/19/96/431031996.db2.gz LCYPJYUNYBEYSZ-OKZBNKHCSA-N 1 3 300.446 2.508 20 0 DFADHO C[C@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCc2ccc(Cl)cc21 ZINC000662286600 431035228 /nfs/dbraw/zinc/03/52/28/431035228.db2.gz RLKIWLGKIOAYKN-XJKSGUPXSA-N 1 3 320.864 2.823 20 0 DFADHO Fc1ccccc1OCCN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293244 431036040 /nfs/dbraw/zinc/03/60/40/431036040.db2.gz DWZYAAIKJXSLJU-MRXNPFEDSA-N 1 3 306.425 2.916 20 0 DFADHO COc1ccc(OCCN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290215 431036130 /nfs/dbraw/zinc/03/61/30/431036130.db2.gz NRIVXEQEHSUQNK-KRWDZBQOSA-N 1 3 318.461 2.786 20 0 DFADHO CC[N@@H+](Cc1ccc(C)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000662304028 431040623 /nfs/dbraw/zinc/04/06/23/431040623.db2.gz DBOZNTOTHKWLEP-PMACEKPBSA-N 1 3 312.457 2.748 20 0 DFADHO CC[N@H+](Cc1ccc(C)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000662304028 431040629 /nfs/dbraw/zinc/04/06/29/431040629.db2.gz DBOZNTOTHKWLEP-PMACEKPBSA-N 1 3 312.457 2.748 20 0 DFADHO C[C@@H](C1CC1)N(C(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+])C1CC1 ZINC000662316418 431045061 /nfs/dbraw/zinc/04/50/61/431045061.db2.gz WLUKZHSVPQCNBK-RVKKMQEKSA-N 1 3 321.509 2.615 20 0 DFADHO CC(C)[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1CCCCC1 ZINC000665854814 431052031 /nfs/dbraw/zinc/05/20/31/431052031.db2.gz ACTOVOLCHWTFRK-MRXNPFEDSA-N 1 3 323.525 2.922 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)CCC(C)(C)[NH3+])c1ccccc1 ZINC000649322175 431067436 /nfs/dbraw/zinc/06/74/36/431067436.db2.gz CUMFWBLAXPZKJE-CQSZACIVSA-N 1 3 305.466 2.750 20 0 DFADHO CN(Cc1ccccc1C(F)(F)F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248637 431012515 /nfs/dbraw/zinc/01/25/15/431012515.db2.gz IKBMUQYIDQLKSL-CYBMUJFWSA-N 1 3 314.351 2.658 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000655444645 431013043 /nfs/dbraw/zinc/01/30/43/431013043.db2.gz LTSVFRKICXAZMC-IEBWSBKVSA-N 1 3 315.461 2.857 20 0 DFADHO CC(C)NCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000659284427 431013206 /nfs/dbraw/zinc/01/32/06/431013206.db2.gz DNUIWDYMHIOWGO-HNNXBMFYSA-N 1 3 303.450 2.855 20 0 DFADHO CC(C)NCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000659284427 431013210 /nfs/dbraw/zinc/01/32/10/431013210.db2.gz DNUIWDYMHIOWGO-HNNXBMFYSA-N 1 3 303.450 2.855 20 0 DFADHO C[NH+](C)CC[C@@H](NC(=O)C[C@H]1NCc2ccccc21)C(C)(C)C ZINC000659293673 431014631 /nfs/dbraw/zinc/01/46/31/431014631.db2.gz XKZIOXDBLYSFGM-IAGOWNOFSA-N 1 3 317.477 2.704 20 0 DFADHO C(OC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1)C1CCCCC1 ZINC000662254395 431015433 /nfs/dbraw/zinc/01/54/33/431015433.db2.gz PXPLGYSIPMHZCW-SFHVURJKSA-N 1 3 322.493 2.569 20 0 DFADHO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000662249924 431015924 /nfs/dbraw/zinc/01/59/24/431015924.db2.gz VLICTKVZKJHBQI-CRAIPNDOSA-N 1 3 300.446 2.808 20 0 DFADHO C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000662249924 431015929 /nfs/dbraw/zinc/01/59/29/431015929.db2.gz VLICTKVZKJHBQI-CRAIPNDOSA-N 1 3 300.446 2.808 20 0 DFADHO CC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H](C)c1cccc(OC)c1 ZINC000662252142 431015944 /nfs/dbraw/zinc/01/59/44/431015944.db2.gz KJEXOBLPSDWTMM-YOEHRIQHSA-N 1 3 304.434 2.599 20 0 DFADHO CC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H](C)c1cccc(OC)c1 ZINC000662252142 431015947 /nfs/dbraw/zinc/01/59/47/431015947.db2.gz KJEXOBLPSDWTMM-YOEHRIQHSA-N 1 3 304.434 2.599 20 0 DFADHO C[C@H](O)C[N@H+](Cc1cccc2c1CCNC2)C1CCCCC1 ZINC000662256097 431016100 /nfs/dbraw/zinc/01/61/00/431016100.db2.gz GCNFHZLRFCARCU-HNNXBMFYSA-N 1 3 302.462 2.848 20 0 DFADHO C[C@H](O)C[N@@H+](Cc1cccc2c1CCNC2)C1CCCCC1 ZINC000662256097 431016103 /nfs/dbraw/zinc/01/61/03/431016103.db2.gz GCNFHZLRFCARCU-HNNXBMFYSA-N 1 3 302.462 2.848 20 0 DFADHO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662254049 431017382 /nfs/dbraw/zinc/01/73/82/431017382.db2.gz DPOPYCDNDXFQBY-CJNGLKHVSA-N 1 3 308.853 2.724 20 0 DFADHO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662254049 431017383 /nfs/dbraw/zinc/01/73/83/431017383.db2.gz DPOPYCDNDXFQBY-CJNGLKHVSA-N 1 3 308.853 2.724 20 0 DFADHO C[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000652310386 431018271 /nfs/dbraw/zinc/01/82/71/431018271.db2.gz FJFVAFKOYXCQOQ-MRXNPFEDSA-N 1 3 320.477 2.830 20 0 DFADHO C[C@@H]1C[C@@H](NCC2CCN(c3cc[nH+]cc3)CC2)c2nccn21 ZINC000296670291 278918048 /nfs/dbraw/zinc/91/80/48/278918048.db2.gz FVKVQRBMPCWJLP-RHSMWYFYSA-N 1 3 311.433 2.790 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662587490 431124281 /nfs/dbraw/zinc/12/42/81/431124281.db2.gz GBPFTOLQDRYYRU-MSOLQXFVSA-N 1 3 321.509 2.522 20 0 DFADHO COCc1ccccc1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655690970 431084529 /nfs/dbraw/zinc/08/45/29/431084529.db2.gz AMSJWWPZVQLEJD-IBGZPJMESA-N 1 3 318.461 2.566 20 0 DFADHO CCCCC[N@H+](CCNC(=O)C(C)(C)N)Cc1ccccc1 ZINC000652560308 431086366 /nfs/dbraw/zinc/08/63/66/431086366.db2.gz HCPXCIJRTSCNSO-UHFFFAOYSA-N 1 3 305.466 2.532 20 0 DFADHO CCCCC[N@@H+](CCNC(=O)C(C)(C)N)Cc1ccccc1 ZINC000652560308 431086371 /nfs/dbraw/zinc/08/63/71/431086371.db2.gz HCPXCIJRTSCNSO-UHFFFAOYSA-N 1 3 305.466 2.532 20 0 DFADHO CCN1C[C@H](CN(C)CCC2CC[NH2+]CC2)Oc2ccccc21 ZINC000649411341 431093580 /nfs/dbraw/zinc/09/35/80/431093580.db2.gz KHGPHMZDWRCQIG-KRWDZBQOSA-N 1 3 317.477 2.595 20 0 DFADHO c1csc(CN2CCN(CCCC3CC[NH2+]CC3)CC2)c1 ZINC000649411045 431093780 /nfs/dbraw/zinc/09/37/80/431093780.db2.gz IRPFGOCZKQHUHM-UHFFFAOYSA-N 1 3 307.507 2.646 20 0 DFADHO Cc1ccc2nc(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000649417799 431096815 /nfs/dbraw/zinc/09/68/15/431096815.db2.gz HFRDUCQBQDCMLA-SJORKVTESA-N 1 3 312.461 2.854 20 0 DFADHO Cc1cc2c(c(C)c1)[C@H]([NH2+]CCCN1CCCN(C)CC1)CC2 ZINC000655715903 431096863 /nfs/dbraw/zinc/09/68/63/431096863.db2.gz JPOHFJJCDNGJRO-LJQANCHMSA-N 1 3 315.505 2.908 20 0 DFADHO CC(C)[N@@H+]1CCCC[C@H]1CN(C)C[C@@H]1CCc2nccn2C1 ZINC000649460670 431107691 /nfs/dbraw/zinc/10/76/91/431107691.db2.gz KBLODHVTGIUNID-IRXDYDNUSA-N 1 3 304.482 2.640 20 0 DFADHO CC(C)[N@H+]1CCCC[C@H]1CN(C)C[C@@H]1CCc2nccn2C1 ZINC000649460670 431107695 /nfs/dbraw/zinc/10/76/95/431107695.db2.gz KBLODHVTGIUNID-IRXDYDNUSA-N 1 3 304.482 2.640 20 0 DFADHO [NH3+][C@H](CCC(=O)N[C@H]1CCN(CC2CC2)C1)CC1CCCCC1 ZINC000645953390 431129483 /nfs/dbraw/zinc/12/94/83/431129483.db2.gz RSPFGIRLGAPXNQ-MSOLQXFVSA-N 1 3 321.509 2.665 20 0 DFADHO C[C@@]1(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)CC[NH2+]C1 ZINC000262064536 279159042 /nfs/dbraw/zinc/15/90/42/279159042.db2.gz RMCNLROOCBRXPG-BXUZGUMPSA-N 1 3 316.371 2.608 20 0 DFADHO CC(C)C[C@H](N)C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000366332720 279176710 /nfs/dbraw/zinc/17/67/10/279176710.db2.gz KGNMDPGNBKAXFO-KRWDZBQOSA-N 1 3 315.461 2.545 20 0 DFADHO C[C@H](C(=O)N1CCCCCC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074866 279190694 /nfs/dbraw/zinc/19/06/94/279190694.db2.gz NYXIXQSPWHKVJX-QGZVFWFLSA-N 1 3 321.509 2.585 20 0 DFADHO CC(C)Cc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000268973516 279243917 /nfs/dbraw/zinc/24/39/17/279243917.db2.gz IMJYWNCQIKWJCT-INIZCTEOSA-N 1 3 304.478 2.992 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000662622167 431137994 /nfs/dbraw/zinc/13/79/94/431137994.db2.gz PULMNXGDRJAWLY-HZPDHXFCSA-N 1 3 317.477 2.702 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000662622167 431138001 /nfs/dbraw/zinc/13/80/01/431138001.db2.gz PULMNXGDRJAWLY-HZPDHXFCSA-N 1 3 317.477 2.702 20 0 DFADHO C[C@H](CC[S@@](C)=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000358407280 279271003 /nfs/dbraw/zinc/27/10/03/279271003.db2.gz TZNOBQUUQCPCCT-JLTOFOAXSA-N 1 3 300.512 2.530 20 0 DFADHO CN1CCC[C@@H]1C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000649610034 431195447 /nfs/dbraw/zinc/19/54/47/431195447.db2.gz GECLODSEQYPMSA-WOJBJXKFSA-N 1 3 313.489 2.679 20 0 DFADHO CN1CCC[C@@H]1C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000649610034 431195453 /nfs/dbraw/zinc/19/54/53/431195453.db2.gz GECLODSEQYPMSA-WOJBJXKFSA-N 1 3 313.489 2.679 20 0 DFADHO CN[C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667417 431156627 /nfs/dbraw/zinc/15/66/27/431156627.db2.gz AAJXHNIHYQBZJG-GOEBONIOSA-N 1 3 309.498 2.534 20 0 DFADHO CN[C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667417 431156633 /nfs/dbraw/zinc/15/66/33/431156633.db2.gz AAJXHNIHYQBZJG-GOEBONIOSA-N 1 3 309.498 2.534 20 0 DFADHO COc1cccc(C2CC[NH+](C[C@@H](O)CN(C)C(C)C)CC2)c1 ZINC000659864168 431158097 /nfs/dbraw/zinc/15/80/97/431158097.db2.gz JWIUJZOFQJUJKC-SFHVURJKSA-N 1 3 320.477 2.576 20 0 DFADHO CC[C@H]1CN2CCCC[C@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000646193829 431223393 /nfs/dbraw/zinc/22/33/93/431223393.db2.gz BAWBGPHSAAZCLB-IRXDYDNUSA-N 1 3 321.509 2.761 20 0 DFADHO [NH3+]Cc1cccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000653043446 431240295 /nfs/dbraw/zinc/24/02/95/431240295.db2.gz WPODOMAPJCWWAS-STQMWFEESA-N 1 3 316.323 2.831 20 0 DFADHO CC[C@H](CC(F)F)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000660118794 431278888 /nfs/dbraw/zinc/27/88/88/431278888.db2.gz WYVUVLXXNLUJDP-APIJFGDWSA-N 1 3 304.425 2.851 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)C1 ZINC000660114688 431278990 /nfs/dbraw/zinc/27/89/90/431278990.db2.gz JURFNLGHVZQFOV-DMUMMCEESA-N 1 3 319.537 2.913 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)C1 ZINC000660114688 431279001 /nfs/dbraw/zinc/27/90/01/431279001.db2.gz JURFNLGHVZQFOV-DMUMMCEESA-N 1 3 319.537 2.913 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646375403 431286332 /nfs/dbraw/zinc/28/63/32/431286332.db2.gz FGTAEYHHNOUCRP-RCCFBDPRSA-N 1 3 321.509 2.522 20 0 DFADHO COc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H](N)C3)CCOCC2)cc1 ZINC000656197495 431305849 /nfs/dbraw/zinc/30/58/49/431305849.db2.gz NAJDLIWOZVONGE-IAGOWNOFSA-N 1 3 318.461 2.603 20 0 DFADHO C(NC1(C2CCC2)CC1)C1(C[NH2+]C2(C3CCC3)CC2)COC1 ZINC000649810516 431306091 /nfs/dbraw/zinc/30/60/91/431306091.db2.gz OPYKDNGIDNWKNU-UHFFFAOYSA-N 1 3 304.478 2.848 20 0 DFADHO CN(C)CCN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)C1CC1 ZINC000646542796 431337552 /nfs/dbraw/zinc/33/75/52/431337552.db2.gz WNEHGFBWHQTHSM-MRXNPFEDSA-N 1 3 309.498 2.617 20 0 DFADHO [NH3+]C1(Cc2nc(-c3cccc(CN4CCCCC4)c3)no2)CC1 ZINC000663251502 431342144 /nfs/dbraw/zinc/34/21/44/431342144.db2.gz RFRGKWIWULOMCA-UHFFFAOYSA-N 1 3 312.417 2.756 20 0 DFADHO CC(C)(O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000663306969 431356380 /nfs/dbraw/zinc/35/63/80/431356380.db2.gz QAOIOAKMZWUCFQ-KRWDZBQOSA-N 1 3 302.462 2.649 20 0 DFADHO COc1ccc(-c2nc(CNCC[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000666787376 431359139 /nfs/dbraw/zinc/35/91/39/431359139.db2.gz PADQYFFFQORLFJ-CYBMUJFWSA-N 1 3 317.458 2.908 20 0 DFADHO Brc1cc(CN[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000666950780 431419828 /nfs/dbraw/zinc/41/98/28/431419828.db2.gz GUFAKLHQYOJLPN-SNVBAGLBSA-N 1 3 301.253 2.742 20 0 DFADHO Fc1cc(CN[C@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000666951971 431420207 /nfs/dbraw/zinc/42/02/07/431420207.db2.gz AIHWWORVQNAQJC-ZDUSSCGKSA-N 1 3 313.214 2.820 20 0 DFADHO Cn1cc(CN[C@H]2CC23CC[NH2+]CC3)c(C2CCCCC2)n1 ZINC000666954020 431422679 /nfs/dbraw/zinc/42/26/79/431422679.db2.gz OCSQWMNGLZHONU-INIZCTEOSA-N 1 3 302.466 2.700 20 0 DFADHO Cn1cc(C[NH2+]CC2(N)CCC2)c(-c2cc3ccccc3o2)n1 ZINC000666829626 431373983 /nfs/dbraw/zinc/37/39/83/431373983.db2.gz WNMZFKPVQLJNTO-UHFFFAOYSA-N 1 3 310.401 2.804 20 0 DFADHO c1ccc(N2CC[C@H](NC[C@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663347146 431377312 /nfs/dbraw/zinc/37/73/12/431377312.db2.gz ZWHHUWFBZKZTHO-MOPGFXCFSA-N 1 3 313.489 2.977 20 0 DFADHO c1ccc(N2CC[C@H](NC[C@H]3CCC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000663347146 431377319 /nfs/dbraw/zinc/37/73/19/431377319.db2.gz ZWHHUWFBZKZTHO-MOPGFXCFSA-N 1 3 313.489 2.977 20 0 DFADHO c1ccc(N2CC[C@H]([NH2+]C[C@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000663347146 431377327 /nfs/dbraw/zinc/37/73/27/431377327.db2.gz ZWHHUWFBZKZTHO-MOPGFXCFSA-N 1 3 313.489 2.977 20 0 DFADHO C[C@@H](NCCC(=O)N(C)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000663360033 431384606 /nfs/dbraw/zinc/38/46/06/431384606.db2.gz SIBWTFRFFWMAKK-OAHLLOKOSA-N 1 3 305.466 2.605 20 0 DFADHO CC(C)C[N@@H+]1CC[C@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC000663360494 431385702 /nfs/dbraw/zinc/38/57/02/431385702.db2.gz POKZEDVTKLARIC-QGZVFWFLSA-N 1 3 317.477 2.607 20 0 DFADHO CC(C)C[N@H+]1CC[C@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC000663360494 431385704 /nfs/dbraw/zinc/38/57/04/431385704.db2.gz POKZEDVTKLARIC-QGZVFWFLSA-N 1 3 317.477 2.607 20 0 DFADHO CC(C)C[N@H+](C)CCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000649971049 431388879 /nfs/dbraw/zinc/38/88/79/431388879.db2.gz JIXYQKXYAMVZJA-UHFFFAOYSA-N 1 3 320.481 2.848 20 0 DFADHO CC(C)C[N@@H+](C)CCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000649971049 431388883 /nfs/dbraw/zinc/38/88/83/431388883.db2.gz JIXYQKXYAMVZJA-UHFFFAOYSA-N 1 3 320.481 2.848 20 0 DFADHO CCC[C@H](N)c1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656469012 431398516 /nfs/dbraw/zinc/39/85/16/431398516.db2.gz YMMOTPFXSLXTMK-IRXDYDNUSA-N 1 3 313.449 2.600 20 0 DFADHO CCC[C@H](N)c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656469012 431398525 /nfs/dbraw/zinc/39/85/25/431398525.db2.gz YMMOTPFXSLXTMK-IRXDYDNUSA-N 1 3 313.449 2.600 20 0 DFADHO CCN1CCN(c2cccc(N[C@H](C)[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000667030918 431452118 /nfs/dbraw/zinc/45/21/18/431452118.db2.gz BVTFQBCYEUMMEW-IAGOWNOFSA-N 1 3 316.493 2.629 20 0 DFADHO Oc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000656575233 431435814 /nfs/dbraw/zinc/43/58/14/431435814.db2.gz GCWFGVWKLKLRAU-GOSISDBHSA-N 1 3 323.440 2.903 20 0 DFADHO Clc1ccccc1N1CC[C@H](C[NH2+]C[C@@H]2CCCNC2)C1 ZINC000656787881 431521807 /nfs/dbraw/zinc/52/18/07/431521807.db2.gz YCMBFABKTCGLOG-HUUCEWRRSA-N 1 3 307.869 2.756 20 0 DFADHO c1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc(C2CCCC2)c1 ZINC000656785244 431522037 /nfs/dbraw/zinc/52/20/37/431522037.db2.gz FYGYYPPXEWZBQT-HXUWFJFHSA-N 1 3 313.489 2.824 20 0 DFADHO CC(=O)Nc1ccccc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787089 431522504 /nfs/dbraw/zinc/52/25/04/431522504.db2.gz SWUYXIJOKBQWMF-QGZVFWFLSA-N 1 3 315.461 2.857 20 0 DFADHO COc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c(OC)c1 ZINC000656785948 431522942 /nfs/dbraw/zinc/52/29/42/431522942.db2.gz NTNFYJXUFYOCCX-INIZCTEOSA-N 1 3 318.461 2.915 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)CN1C1CC1 ZINC000647248768 431527282 /nfs/dbraw/zinc/52/72/82/431527282.db2.gz BQRMRHRQAUTDKT-MMTROXRISA-N 1 3 313.489 2.547 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000653682617 431489282 /nfs/dbraw/zinc/48/92/82/431489282.db2.gz OPLVLOOQAZARIY-PKOBYXMFSA-N 1 3 310.445 2.849 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000653682617 431489287 /nfs/dbraw/zinc/48/92/87/431489287.db2.gz OPLVLOOQAZARIY-PKOBYXMFSA-N 1 3 310.445 2.849 20 0 DFADHO CC(C)C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccncc1 ZINC000647282115 431537113 /nfs/dbraw/zinc/53/71/13/431537113.db2.gz AARFSZMARJPWOB-LJQANCHMSA-N 1 3 318.509 2.784 20 0 DFADHO CC(C)C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccncc1 ZINC000647288251 431539055 /nfs/dbraw/zinc/53/90/55/431539055.db2.gz VSLSLOSFUKJMIC-LJQANCHMSA-N 1 3 318.509 2.786 20 0 DFADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1cc2n(n1)CCCC2 ZINC000647301734 431544854 /nfs/dbraw/zinc/54/48/54/431544854.db2.gz ZBGRPEKNTKVVLT-AWEZNQCLSA-N 1 3 302.466 2.744 20 0 DFADHO Cc1cccc2nc(CCNC3CC[NH+](C(C)C)CC3)cn21 ZINC000647364863 431566065 /nfs/dbraw/zinc/56/60/65/431566065.db2.gz PICDQEQHCUNDTO-UHFFFAOYSA-N 1 3 300.450 2.648 20 0 DFADHO CC(C)[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)N1CCCCC1 ZINC000354842371 280170705 /nfs/dbraw/zinc/17/07/05/280170705.db2.gz WEYSAOGTWXPOHN-GOSISDBHSA-N 1 3 323.525 2.878 20 0 DFADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)N1CCCCC1 ZINC000354842371 280170709 /nfs/dbraw/zinc/17/07/09/280170709.db2.gz WEYSAOGTWXPOHN-GOSISDBHSA-N 1 3 323.525 2.878 20 0 DFADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)N1CCCCC1 ZINC000354736547 280182305 /nfs/dbraw/zinc/18/23/05/280182305.db2.gz SOHVPCPWOQZONQ-KZNAEPCWSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)N1CCCCC1 ZINC000354736547 280182307 /nfs/dbraw/zinc/18/23/07/280182307.db2.gz SOHVPCPWOQZONQ-KZNAEPCWSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN(C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000660774843 431593125 /nfs/dbraw/zinc/59/31/25/431593125.db2.gz BZTOEMVGMRHHDV-FHWLQOOXSA-N 1 3 304.478 2.956 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000660774843 431593134 /nfs/dbraw/zinc/59/31/34/431593134.db2.gz BZTOEMVGMRHHDV-FHWLQOOXSA-N 1 3 304.478 2.956 20 0 DFADHO CC[C@@H]1CN(Cc2ccc(C)cc2-c2cnn(C)c2)CC[C@H]1[NH3+] ZINC000647497749 431604918 /nfs/dbraw/zinc/60/49/18/431604918.db2.gz TWIRIQFQIJKDHD-DNVCBOLYSA-N 1 3 312.461 2.955 20 0 DFADHO [NH3+]CC1CCN(Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000647482264 431601948 /nfs/dbraw/zinc/60/19/48/431601948.db2.gz SBNNEYFNYQWRIE-UHFFFAOYSA-N 1 3 318.852 2.756 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cnc(C4CC4)s3)C2)C1 ZINC000650707581 431654225 /nfs/dbraw/zinc/65/42/25/431654225.db2.gz IZGYNUHTKWAQHT-FMKPAKJESA-N 1 3 321.490 2.739 20 0 DFADHO Cc1cc(F)ccc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705916 431654982 /nfs/dbraw/zinc/65/49/82/431654982.db2.gz AFCZMQXJBMPISU-RYQLBKOJSA-N 1 3 306.425 2.852 20 0 DFADHO CC[C@@H]1CN(Cc2ccc(C)cc2-c2ccnn2C)CC[C@@H]1[NH3+] ZINC000647497758 431606502 /nfs/dbraw/zinc/60/65/02/431606502.db2.gz UDYAOCBVLVTWGF-QAPCUYQASA-N 1 3 312.461 2.955 20 0 DFADHO Cc1ccc(-c2nn(C)cc2CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000647511821 431612311 /nfs/dbraw/zinc/61/23/11/431612311.db2.gz ILBQRVANDJHMKZ-IMJJTQAJSA-N 1 3 314.433 2.548 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(N)nc2)CC1 ZINC000647518084 431614836 /nfs/dbraw/zinc/61/48/36/431614836.db2.gz CWEYUDILSAEGEY-INIZCTEOSA-N 1 3 316.493 2.971 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(N)nc2)CC1 ZINC000647518084 431614842 /nfs/dbraw/zinc/61/48/42/431614842.db2.gz CWEYUDILSAEGEY-INIZCTEOSA-N 1 3 316.493 2.971 20 0 DFADHO Nc1ccc(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000647532611 431617197 /nfs/dbraw/zinc/61/71/97/431617197.db2.gz UCZVXDHKRMUURE-RBUKOAKNSA-N 1 3 324.472 2.666 20 0 DFADHO CCOc1ccc(C[NH2+]C2CCN(CCN(C)C)CC2)c(C)c1 ZINC000657305584 431660889 /nfs/dbraw/zinc/66/08/89/431660889.db2.gz HBLFTCJNVVTUPZ-UHFFFAOYSA-N 1 3 319.493 2.509 20 0 DFADHO c1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000647544166 431624470 /nfs/dbraw/zinc/62/44/70/431624470.db2.gz XSBYUNKTSWARFZ-HOTGVXAUSA-N 1 3 316.445 2.669 20 0 DFADHO CCN(C)c1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543315 431625353 /nfs/dbraw/zinc/62/53/53/431625353.db2.gz KXMJTOTVCOIHPM-ROUUACIJSA-N 1 3 316.493 2.749 20 0 DFADHO Cc1cccn2c(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cnc12 ZINC000647543406 431625648 /nfs/dbraw/zinc/62/56/48/431625648.db2.gz MUOPTNOKKDEAHL-IAGOWNOFSA-N 1 3 312.461 2.854 20 0 DFADHO Cn1c2ccccc2nc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543335 431626164 /nfs/dbraw/zinc/62/61/64/431626164.db2.gz LEKLSIAYWNMVQC-HZPDHXFCSA-N 1 3 312.461 2.785 20 0 DFADHO Cc1cccc2nc(CCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cn21 ZINC000647554266 431630075 /nfs/dbraw/zinc/63/00/75/431630075.db2.gz VOTNTKJLOSGXSU-KURKYZTESA-N 1 3 312.461 2.696 20 0 DFADHO CCN(CC)CCC[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1CC ZINC000657283961 431648580 /nfs/dbraw/zinc/64/85/80/431648580.db2.gz JBRVZQKOOACLNQ-FUHWJXTLSA-N 1 3 322.497 2.692 20 0 DFADHO COC[C@@H](C)Oc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000657286473 431648670 /nfs/dbraw/zinc/64/86/70/431648670.db2.gz XXRLJFKMSOLRBT-OAHLLOKOSA-N 1 3 308.466 2.778 20 0 DFADHO COc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1F ZINC000650722456 431664203 /nfs/dbraw/zinc/66/42/03/431664203.db2.gz UGZHDFAIJZPIRA-YXJHDRRASA-N 1 3 322.424 2.695 20 0 DFADHO COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1C ZINC000650724168 431667964 /nfs/dbraw/zinc/66/79/64/431667964.db2.gz ZLFDTOKNPUSSLK-LMMKCTJWSA-N 1 3 318.461 2.864 20 0 DFADHO c1cc([C@@H]2C[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CCO2)ccn1 ZINC000650752351 431680212 /nfs/dbraw/zinc/68/02/12/431680212.db2.gz PKLRRSRWVFOABV-ZRSRNVLSSA-N 1 3 315.461 2.812 20 0 DFADHO C[NH2+]Cc1ccccc1CN[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000650755724 431681785 /nfs/dbraw/zinc/68/17/85/431681785.db2.gz LHFIIJZGOQWYMN-QGZVFWFLSA-N 1 3 313.449 2.935 20 0 DFADHO C[C@H](NCCC1CC[NH2+]CC1)c1ncc(Br)s1 ZINC000650762744 431684350 /nfs/dbraw/zinc/68/43/50/431684350.db2.gz IXFWVGQKBGDTGF-VIFPVBQESA-N 1 3 318.284 2.946 20 0 DFADHO Cn1c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc2cc(Cl)ccc21 ZINC000647795825 431689247 /nfs/dbraw/zinc/68/92/47/431689247.db2.gz XGGYIAWFWBNQEH-MBNYWOFBSA-N 1 3 318.852 2.704 20 0 DFADHO CC(C)COC[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccco1 ZINC000647793211 431689887 /nfs/dbraw/zinc/68/98/87/431689887.db2.gz PNJIGLKHVLEDKP-VQHPVUNQSA-N 1 3 306.450 2.971 20 0 DFADHO CC[C@@H]([NH2+]CCc1cn2c(cccc2C)n1)[C@H]1CCCCN1 ZINC000647804240 431695230 /nfs/dbraw/zinc/69/52/30/431695230.db2.gz MGJDLXGAZNOKFC-IAGOWNOFSA-N 1 3 300.450 2.696 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN(C1CC1)C1CC[NH2+]CC1 ZINC000647814708 431696535 /nfs/dbraw/zinc/69/65/35/431696535.db2.gz AONCVMXOIUAJPD-UHFFFAOYSA-N 1 3 319.424 2.679 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+](C1CC1)C1CCNCC1 ZINC000647814708 431696538 /nfs/dbraw/zinc/69/65/38/431696538.db2.gz AONCVMXOIUAJPD-UHFFFAOYSA-N 1 3 319.424 2.679 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+](C1CC1)C1CCNCC1 ZINC000647814708 431696543 /nfs/dbraw/zinc/69/65/43/431696543.db2.gz AONCVMXOIUAJPD-UHFFFAOYSA-N 1 3 319.424 2.679 20 0 DFADHO CC[C@@H]1C[C@@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CO1 ZINC000657354591 431697705 /nfs/dbraw/zinc/69/77/05/431697705.db2.gz SGDUOQUITZXMRF-GUDVDZBRSA-N 1 3 302.462 2.708 20 0 DFADHO CC[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000657354591 431697711 /nfs/dbraw/zinc/69/77/11/431697711.db2.gz SGDUOQUITZXMRF-GUDVDZBRSA-N 1 3 302.462 2.708 20 0 DFADHO CC[NH+]1CCC(CCNCc2cc(C(F)(F)F)nn2C)CC1 ZINC000657377340 431711508 /nfs/dbraw/zinc/71/15/08/431711508.db2.gz SGVKQDBJNONSQJ-UHFFFAOYSA-N 1 3 318.387 2.651 20 0 DFADHO C[NH2+]Cc1ccccc1CNCc1c[nH]nc1-c1ccc(C)o1 ZINC000650719685 431662683 /nfs/dbraw/zinc/66/26/83/431662683.db2.gz ZCLUNKFVEVSZMP-UHFFFAOYSA-N 1 3 310.401 2.987 20 0 DFADHO C[C@H](CC(=O)N1CCCCCC1)NCc1ccc(C[NH3+])cc1F ZINC000650717524 431663270 /nfs/dbraw/zinc/66/32/70/431663270.db2.gz DAGVDMJLSYTDMV-CQSZACIVSA-N 1 3 321.440 2.555 20 0 DFADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCCc3ccccc32)CC1 ZINC000647908775 431723777 /nfs/dbraw/zinc/72/37/77/431723777.db2.gz HAPHOGKSFQSQPX-SFHVURJKSA-N 1 3 302.462 2.889 20 0 DFADHO C[C@H]1Cc2ccccc2[C@@H]1NC1CC[NH+](CC(C)(C)O)CC1 ZINC000647909573 431725934 /nfs/dbraw/zinc/72/59/34/431725934.db2.gz YMELGZKXRYYYHS-KBXCAEBGSA-N 1 3 302.462 2.745 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000664304694 431728719 /nfs/dbraw/zinc/72/87/19/431728719.db2.gz ILQVVIUFDUFBKY-MRXNPFEDSA-N 1 3 318.465 2.743 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000664304694 431728726 /nfs/dbraw/zinc/72/87/26/431728726.db2.gz ILQVVIUFDUFBKY-MRXNPFEDSA-N 1 3 318.465 2.743 20 0 DFADHO CC[C@@H](C)[N@H+](CC)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000661103124 431732348 /nfs/dbraw/zinc/73/23/48/431732348.db2.gz DUENINGGLUCXQU-NVXWUHKLSA-N 1 3 305.466 2.526 20 0 DFADHO CC[C@@H](C)[N@@H+](CC)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000661103124 431732354 /nfs/dbraw/zinc/73/23/54/431732354.db2.gz DUENINGGLUCXQU-NVXWUHKLSA-N 1 3 305.466 2.526 20 0 DFADHO Cc1cc(C)cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000664314358 431733161 /nfs/dbraw/zinc/73/31/61/431733161.db2.gz HYWBGBPEKOTBJN-INIZCTEOSA-N 1 3 320.481 2.697 20 0 DFADHO Cc1cc(C)cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000664314358 431733166 /nfs/dbraw/zinc/73/31/66/431733166.db2.gz HYWBGBPEKOTBJN-INIZCTEOSA-N 1 3 320.481 2.697 20 0 DFADHO Cc1ccc(F)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000664314126 431733500 /nfs/dbraw/zinc/73/35/00/431733500.db2.gz GRQKNXLUBRTNIU-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO Cc1ccc(F)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000664314126 431733504 /nfs/dbraw/zinc/73/35/04/431733504.db2.gz GRQKNXLUBRTNIU-AWEZNQCLSA-N 1 3 324.444 2.528 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000647964574 431757278 /nfs/dbraw/zinc/75/72/78/431757278.db2.gz PGMJDZLIJILYRE-YOEHRIQHSA-N 1 3 312.885 2.904 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000647964574 431757283 /nfs/dbraw/zinc/75/72/83/431757283.db2.gz PGMJDZLIJILYRE-YOEHRIQHSA-N 1 3 312.885 2.904 20 0 DFADHO Cc1ccc(C[C@H]2CCCN2C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000647964003 431757430 /nfs/dbraw/zinc/75/74/30/431757430.db2.gz MIARARXXYSDPPC-RTBURBONSA-N 1 3 304.478 2.703 20 0 DFADHO Cc1ccc(C[C@H]2CCCN2C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000647964003 431757435 /nfs/dbraw/zinc/75/74/35/431757435.db2.gz MIARARXXYSDPPC-RTBURBONSA-N 1 3 304.478 2.703 20 0 DFADHO C[C@H]1C[N@H+](CCCNCc2cc3ccncc3s2)CCCO1 ZINC000657448536 431757668 /nfs/dbraw/zinc/75/76/68/431757668.db2.gz LBCIMKNYNSNNPT-AWEZNQCLSA-N 1 3 319.474 2.887 20 0 DFADHO C[C@H]1C[N@@H+](CCCNCc2cc3ccncc3s2)CCCO1 ZINC000657448536 431757671 /nfs/dbraw/zinc/75/76/71/431757671.db2.gz LBCIMKNYNSNNPT-AWEZNQCLSA-N 1 3 319.474 2.887 20 0 DFADHO CC[C@@H]1c2ccccc2CCN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000647885652 431717730 /nfs/dbraw/zinc/71/77/30/431717730.db2.gz AWZJWFNQFKMUQT-HBMCJLEFSA-N 1 3 324.468 2.927 20 0 DFADHO CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000647885652 431717733 /nfs/dbraw/zinc/71/77/33/431717733.db2.gz AWZJWFNQFKMUQT-HBMCJLEFSA-N 1 3 324.468 2.927 20 0 DFADHO CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000647885652 431717734 /nfs/dbraw/zinc/71/77/34/431717734.db2.gz AWZJWFNQFKMUQT-HBMCJLEFSA-N 1 3 324.468 2.927 20 0 DFADHO CN(CCCC1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000647884470 431718624 /nfs/dbraw/zinc/71/86/24/431718624.db2.gz UJMKUYYNJMWYTB-GOSISDBHSA-N 1 3 315.461 2.504 20 0 DFADHO COc1ccsc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657536056 431799240 /nfs/dbraw/zinc/79/92/40/431799240.db2.gz WXSYQRUVZHRUJT-UHFFFAOYSA-N 1 3 324.490 2.737 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1sccc1Cl ZINC000657573427 431815158 /nfs/dbraw/zinc/81/51/58/431815158.db2.gz MZKVJLAZDGWYKN-LBPRGKRZSA-N 1 3 303.903 2.763 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@@H]3C)CC2)CC1 ZINC000654377800 431770898 /nfs/dbraw/zinc/77/08/98/431770898.db2.gz XYTNEOHPYLHPOM-INIZCTEOSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CS1 ZINC000657598016 431821243 /nfs/dbraw/zinc/82/12/43/431821243.db2.gz WYSAXGJHFAYVSS-ZTFGCOKTSA-N 1 3 320.502 2.627 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)[C@H]1CC1(C)C ZINC000657597275 431821363 /nfs/dbraw/zinc/82/13/63/431821363.db2.gz SADYJWQYYWLHCL-BMGDILEWSA-N 1 3 302.462 2.777 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)C1 ZINC000657596607 431821666 /nfs/dbraw/zinc/82/16/66/431821666.db2.gz XSKMHHGLABMOLA-QFBILLFUSA-N 1 3 300.446 2.699 20 0 DFADHO Fc1cnccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613267 431825217 /nfs/dbraw/zinc/82/52/17/431825217.db2.gz JZRRGPONCFOPSQ-UHFFFAOYSA-N 1 3 314.408 2.618 20 0 DFADHO CC(C)OC[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613225 431825609 /nfs/dbraw/zinc/82/56/09/431825609.db2.gz JEDCPBNDOOIZBT-MRXNPFEDSA-N 1 3 305.466 2.697 20 0 DFADHO C[NH+](C)CCCOc1ccc(CN[C@H]2COC3(CCC3)C2)cc1 ZINC000657630666 431828649 /nfs/dbraw/zinc/82/86/49/431828649.db2.gz LRRWMJGGAHGETF-QGZVFWFLSA-N 1 3 318.461 2.818 20 0 DFADHO Cc1ccc2nc(CNCCCCC[NH+]3CCCC3)cn2c1 ZINC000292951866 281156021 /nfs/dbraw/zinc/15/60/21/281156021.db2.gz ITLLVSKSPSJVLZ-UHFFFAOYSA-N 1 3 300.450 2.998 20 0 DFADHO Cc1[nH+]c2ccccc2c(N2CCN(C[C@@H](C)O)[C@H](C)C2)c1C ZINC000302088410 282073220 /nfs/dbraw/zinc/07/32/20/282073220.db2.gz OJOWKKMOZJQOSR-ZIAGYGMSSA-N 1 3 313.445 2.743 20 0 DFADHO C[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCCCCC1 ZINC000357785404 289261779 /nfs/dbraw/zinc/26/17/79/289261779.db2.gz CDJMDNSQFZSNQG-QGZVFWFLSA-N 1 3 321.509 2.728 20 0 DFADHO C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCCCCC1 ZINC000150744483 289272805 /nfs/dbraw/zinc/27/28/05/289272805.db2.gz FIGDSVLJJFHILL-QZTJIDSGSA-N 1 3 321.509 2.728 20 0 DFADHO C[C@H]([NH3+])CCC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000193291138 289768057 /nfs/dbraw/zinc/76/80/57/289768057.db2.gz OPTJUDLENZLGRD-GJZGRUSLSA-N 1 3 323.506 2.765 20 0 DFADHO C[N@H+](CC[C@H]1CCOC1)CC1CCN(c2ccncc2)CC1 ZINC000437989321 297076818 /nfs/dbraw/zinc/07/68/18/297076818.db2.gz SUYTULQKGQLOIE-KRWDZBQOSA-N 1 3 303.450 2.656 20 0 DFADHO C[N@@H+](CC[C@H]1CCOC1)CC1CCN(c2ccncc2)CC1 ZINC000437989321 297076821 /nfs/dbraw/zinc/07/68/21/297076821.db2.gz SUYTULQKGQLOIE-KRWDZBQOSA-N 1 3 303.450 2.656 20 0 DFADHO C[C@H](C[C@H](C)[NH2+]CCCN1CCCC1)NC(=O)OC(C)(C)C ZINC000494659626 299877775 /nfs/dbraw/zinc/87/77/75/299877775.db2.gz QMBMEMUFMLMURG-LSDHHAIUSA-N 1 3 313.486 2.754 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@@H]1C ZINC000495088491 299902639 /nfs/dbraw/zinc/90/26/39/299902639.db2.gz DWYNWESXZYSFRD-CLCXKQKWSA-N 1 3 302.462 2.777 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000154369514 295298620 /nfs/dbraw/zinc/29/86/20/295298620.db2.gz VQPPFQYAASOUDM-KRWDZBQOSA-N 1 3 319.493 2.910 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1CCN(C)CC1)CC2 ZINC000154409862 295299475 /nfs/dbraw/zinc/29/94/75/295299475.db2.gz PHPXTKNDPCLYFO-LJQANCHMSA-N 1 3 301.478 2.600 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000154426212 295299844 /nfs/dbraw/zinc/29/98/44/295299844.db2.gz KPSOCHMYAIZGAU-SFHVURJKSA-N 1 3 321.896 2.945 20 0 DFADHO CCc1ccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)s1 ZINC000154437334 295300543 /nfs/dbraw/zinc/30/05/43/295300543.db2.gz XFYWYQGHDWUTHY-HNNXBMFYSA-N 1 3 309.523 2.989 20 0 DFADHO Cc1occc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397553394 295487957 /nfs/dbraw/zinc/48/79/57/295487957.db2.gz HBBFUWJXUIHXKH-UHFFFAOYSA-N 1 3 314.429 2.705 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000411484319 295542111 /nfs/dbraw/zinc/54/21/11/295542111.db2.gz DTCBQAXUQCAOJV-RYQLBKOJSA-N 1 3 323.525 2.637 20 0 DFADHO CSC1(CN[C@@H](C)c2cnc(C)nc2C)CC[NH+](C)CC1 ZINC000353623214 295582458 /nfs/dbraw/zinc/58/24/58/295582458.db2.gz AQUUBYHUAJSQON-LBPRGKRZSA-N 1 3 308.495 2.571 20 0 DFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438565167 297099230 /nfs/dbraw/zinc/09/92/30/297099230.db2.gz BTJJCDXAAYPDOG-NUJGCVRESA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438565167 297099233 /nfs/dbraw/zinc/09/92/33/297099233.db2.gz BTJJCDXAAYPDOG-NUJGCVRESA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000438565167 297099236 /nfs/dbraw/zinc/09/92/36/297099236.db2.gz BTJJCDXAAYPDOG-NUJGCVRESA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000438565167 297099238 /nfs/dbraw/zinc/09/92/38/297099238.db2.gz BTJJCDXAAYPDOG-NUJGCVRESA-N 1 3 321.509 2.630 20 0 DFADHO CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C)N(CC)CC ZINC000439701299 297135719 /nfs/dbraw/zinc/13/57/19/297135719.db2.gz JKOQOQRBADGZOZ-SJORKVTESA-N 1 3 311.514 2.734 20 0 DFADHO CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C)N(CC)CC ZINC000439701299 297135721 /nfs/dbraw/zinc/13/57/21/297135721.db2.gz JKOQOQRBADGZOZ-SJORKVTESA-N 1 3 311.514 2.734 20 0 DFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(F)cc(F)c1 ZINC000442879539 297208978 /nfs/dbraw/zinc/20/89/78/297208978.db2.gz WOVZECUBBDLPCJ-CYBMUJFWSA-N 1 3 311.420 2.641 20 0 DFADHO CC(C)CNC(=O)c1cccc(CN2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443059918 297213735 /nfs/dbraw/zinc/21/37/35/297213735.db2.gz NYKGPKUAPYITMN-INIZCTEOSA-N 1 3 317.477 2.633 20 0 DFADHO CSc1cccc(NC(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000443063101 297214514 /nfs/dbraw/zinc/21/45/14/297214514.db2.gz VVALHKWDBHDXMJ-UONOGXRCSA-N 1 3 321.490 2.796 20 0 DFADHO CC1=CCC[C@@H](C)[C@H]1C[NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000443640680 297223640 /nfs/dbraw/zinc/22/36/40/297223640.db2.gz NVARDICWMHIMRZ-SQNIBIBYSA-N 1 3 323.525 2.661 20 0 DFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C)cc3)CC2)CC1 ZINC000445512104 297262230 /nfs/dbraw/zinc/26/22/30/297262230.db2.gz HOBSOJVZJPXORD-UHFFFAOYSA-N 1 3 315.505 2.987 20 0 DFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C)cc3)CC2)CC1 ZINC000445512104 297262231 /nfs/dbraw/zinc/26/22/31/297262231.db2.gz HOBSOJVZJPXORD-UHFFFAOYSA-N 1 3 315.505 2.987 20 0 DFADHO CN(C)CCOCC[NH2+][C@@H]1CCC[C@@H]1CCc1ccccc1 ZINC000447603962 297310730 /nfs/dbraw/zinc/31/07/30/297310730.db2.gz XZQOOQPRAICZRL-RTBURBONSA-N 1 3 304.478 2.956 20 0 DFADHO C[C@@H](CCNC[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000447822091 297318882 /nfs/dbraw/zinc/31/88/82/297318882.db2.gz PAOAXNRWQDXVQR-HKUYNNGSSA-N 1 3 304.478 2.863 20 0 DFADHO C[NH+](C)CCN1CCC(NCc2ncc(C(C)(C)C)s2)CC1 ZINC000447934715 297326152 /nfs/dbraw/zinc/32/61/52/297326152.db2.gz ALDAEYLSXQPGHE-UHFFFAOYSA-N 1 3 324.538 2.556 20 0 DFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](N)c1ccccc1 ZINC000448241963 297335799 /nfs/dbraw/zinc/33/57/99/297335799.db2.gz PETLTVKEKJJKBN-ZWKOTPCHSA-N 1 3 317.477 2.847 20 0 DFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](N)c1ccccc1 ZINC000448241963 297335800 /nfs/dbraw/zinc/33/58/00/297335800.db2.gz PETLTVKEKJJKBN-ZWKOTPCHSA-N 1 3 317.477 2.847 20 0 DFADHO CN(C)Cc1ccc(-c2noc(C[C@H]3CCCC[C@H]3[NH3+])n2)cc1 ZINC000448546876 297341970 /nfs/dbraw/zinc/34/19/70/297341970.db2.gz OUAMUIOYPLDKLS-HZPDHXFCSA-N 1 3 314.433 2.858 20 0 DFADHO CCC[NH2+][C@@H](C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000449122769 297409092 /nfs/dbraw/zinc/40/90/92/297409092.db2.gz AKFLJDYJKYNOQD-HOTGVXAUSA-N 1 3 317.477 2.716 20 0 DFADHO C[C@@H](C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)N(C)C ZINC000449228170 297425884 /nfs/dbraw/zinc/42/58/84/297425884.db2.gz XREOXJBQZOONQW-IRXDYDNUSA-N 1 3 303.494 2.622 20 0 DFADHO C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000453115271 298063115 /nfs/dbraw/zinc/06/31/15/298063115.db2.gz WYSKXPWQRZFHJM-PKOBYXMFSA-N 1 3 324.472 2.562 20 0 DFADHO C[C@@H](Cc1cnccn1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000453115271 298063119 /nfs/dbraw/zinc/06/31/19/298063119.db2.gz WYSKXPWQRZFHJM-PKOBYXMFSA-N 1 3 324.472 2.562 20 0 DFADHO C[C@@H](Cc1cnccn1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000453115271 298063123 /nfs/dbraw/zinc/06/31/23/298063123.db2.gz WYSKXPWQRZFHJM-PKOBYXMFSA-N 1 3 324.472 2.562 20 0 DFADHO C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000453115269 298063210 /nfs/dbraw/zinc/06/32/10/298063210.db2.gz WYSKXPWQRZFHJM-MJGOQNOKSA-N 1 3 324.472 2.562 20 0 DFADHO C[C@H](Cc1cnccn1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000453115269 298063212 /nfs/dbraw/zinc/06/32/12/298063212.db2.gz WYSKXPWQRZFHJM-MJGOQNOKSA-N 1 3 324.472 2.562 20 0 DFADHO C[C@H](Cc1cnccn1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000453115269 298063213 /nfs/dbraw/zinc/06/32/13/298063213.db2.gz WYSKXPWQRZFHJM-MJGOQNOKSA-N 1 3 324.472 2.562 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)Cc1cnccn1 ZINC000453142368 298066501 /nfs/dbraw/zinc/06/65/01/298066501.db2.gz ZERFHFWQNRJLJB-RYRKJORJSA-N 1 3 304.482 2.898 20 0 DFADHO CO[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000453268239 298078800 /nfs/dbraw/zinc/07/88/00/298078800.db2.gz NTTYWVTYVNWTJK-WJFTUGDTSA-N 1 3 302.462 2.707 20 0 DFADHO CO[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000453268239 298078804 /nfs/dbraw/zinc/07/88/04/298078804.db2.gz NTTYWVTYVNWTJK-WJFTUGDTSA-N 1 3 302.462 2.707 20 0 DFADHO C[C@H]([NH2+]CC1=CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000453285636 298080484 /nfs/dbraw/zinc/08/04/84/298080484.db2.gz JXECPSYIHQDFLT-HNNXBMFYSA-N 1 3 304.434 2.624 20 0 DFADHO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000253545347 298083179 /nfs/dbraw/zinc/08/31/79/298083179.db2.gz OPCJRHCYFFSIPJ-XMTFNYHQSA-N 1 3 321.509 2.582 20 0 DFADHO O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000453350767 298086033 /nfs/dbraw/zinc/08/60/33/298086033.db2.gz FDGIVFKIWFECLX-OUUBHVDSSA-N 1 3 314.473 2.790 20 0 DFADHO O[C@H]1C[C@@H](N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000453350767 298086037 /nfs/dbraw/zinc/08/60/37/298086037.db2.gz FDGIVFKIWFECLX-OUUBHVDSSA-N 1 3 314.473 2.790 20 0 DFADHO O[C@H]1C[C@@H](N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000453350767 298086039 /nfs/dbraw/zinc/08/60/39/298086039.db2.gz FDGIVFKIWFECLX-OUUBHVDSSA-N 1 3 314.473 2.790 20 0 DFADHO O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000453350769 298086088 /nfs/dbraw/zinc/08/60/88/298086088.db2.gz FDGIVFKIWFECLX-UHZRXMQZSA-N 1 3 314.473 2.790 20 0 DFADHO O[C@H]1C[C@@H](N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000453350769 298086091 /nfs/dbraw/zinc/08/60/91/298086091.db2.gz FDGIVFKIWFECLX-UHZRXMQZSA-N 1 3 314.473 2.790 20 0 DFADHO O[C@H]1C[C@@H](N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000453350769 298086093 /nfs/dbraw/zinc/08/60/93/298086093.db2.gz FDGIVFKIWFECLX-UHZRXMQZSA-N 1 3 314.473 2.790 20 0 DFADHO O[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000453389506 298089232 /nfs/dbraw/zinc/08/92/32/298089232.db2.gz RKDZAJIEBFIQOG-YRPNKDGESA-N 1 3 314.473 2.933 20 0 DFADHO O[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000453389506 298089234 /nfs/dbraw/zinc/08/92/34/298089234.db2.gz RKDZAJIEBFIQOG-YRPNKDGESA-N 1 3 314.473 2.933 20 0 DFADHO CCC1(C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)COC1 ZINC000453390509 298089483 /nfs/dbraw/zinc/08/94/83/298089483.db2.gz YCYFSMNSTOWZMD-HNNXBMFYSA-N 1 3 306.450 2.704 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H](CO)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000453411338 298091641 /nfs/dbraw/zinc/09/16/41/298091641.db2.gz AKEGPDLRVWXVPZ-UHOSZYNNSA-N 1 3 304.478 2.527 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H](CO)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000453411338 298091644 /nfs/dbraw/zinc/09/16/44/298091644.db2.gz AKEGPDLRVWXVPZ-UHOSZYNNSA-N 1 3 304.478 2.527 20 0 DFADHO C[C@H](c1cccc(N2CCOC2=O)c1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000496752591 300108897 /nfs/dbraw/zinc/10/88/97/300108897.db2.gz LKLCZXNCDIEYAS-HBUWYVDXSA-N 1 3 317.433 2.621 20 0 DFADHO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000496752591 300108901 /nfs/dbraw/zinc/10/89/01/300108901.db2.gz LKLCZXNCDIEYAS-HBUWYVDXSA-N 1 3 317.433 2.621 20 0 DFADHO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000496752591 300108903 /nfs/dbraw/zinc/10/89/03/300108903.db2.gz LKLCZXNCDIEYAS-HBUWYVDXSA-N 1 3 317.433 2.621 20 0 DFADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(N2CCOC2=O)c1 ZINC000496972115 300140396 /nfs/dbraw/zinc/14/03/96/300140396.db2.gz BFSXHUBLADMNDM-YSVLISHTSA-N 1 3 317.433 2.811 20 0 DFADHO CCCN1CCC([NH2+][C@@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000497090948 300159675 /nfs/dbraw/zinc/15/96/75/300159675.db2.gz QZAZOZABNAGRQG-QGZVFWFLSA-N 1 3 319.449 2.571 20 0 DFADHO C[C@@H]1C[C@@H](CCNCc2ccnn2C)C[N@@H+]1Cc1ccccc1 ZINC000513493592 300258056 /nfs/dbraw/zinc/25/80/56/300258056.db2.gz BNXFQEUTLLGBTN-SJLPKXTDSA-N 1 3 312.461 2.810 20 0 DFADHO C[C@@H]1C[C@@H](CCNCc2ccnn2C)C[N@H+]1Cc1ccccc1 ZINC000513493592 300258059 /nfs/dbraw/zinc/25/80/59/300258059.db2.gz BNXFQEUTLLGBTN-SJLPKXTDSA-N 1 3 312.461 2.810 20 0 DFADHO FC(F)(F)CN1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000515053401 300287121 /nfs/dbraw/zinc/28/71/21/300287121.db2.gz YBQXGQGBKKWNDA-BYNSBNAKSA-N 1 3 319.415 2.523 20 0 DFADHO CN1CCC[C@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000515654472 300317058 /nfs/dbraw/zinc/31/70/58/300317058.db2.gz SUGSTEDGBWPAJG-SJORKVTESA-N 1 3 309.498 2.522 20 0 DFADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NCc1ccn(-c2ccccc2)n1 ZINC000516258161 300337412 /nfs/dbraw/zinc/33/74/12/300337412.db2.gz SFQYFHNHABHLAR-JOUKPKRSSA-N 1 3 310.445 2.868 20 0 DFADHO CC[NH+](CC)CCOC1CCN(Cc2ccncc2C)CC1 ZINC000521187142 300519533 /nfs/dbraw/zinc/51/95/33/300519533.db2.gz VGQDWWCHZLNKCU-UHFFFAOYSA-N 1 3 305.466 2.713 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530214329 301029365 /nfs/dbraw/zinc/02/93/65/301029365.db2.gz XTMXYTPVEVKOLO-JVPBZIDWSA-N 1 3 302.462 2.524 20 0 DFADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc2cn(C)nc2c1 ZINC000530216690 301030292 /nfs/dbraw/zinc/03/02/92/301030292.db2.gz CEDIALKKYSFCLS-LBPRGKRZSA-N 1 3 309.417 2.586 20 0 DFADHO Clc1ccccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238491 301033523 /nfs/dbraw/zinc/03/35/23/301033523.db2.gz OBQHMUHVSGJMRF-INIZCTEOSA-N 1 3 308.853 2.931 20 0 DFADHO Cc1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1F ZINC000530248644 301033815 /nfs/dbraw/zinc/03/38/15/301033815.db2.gz NOWWSBPROOWLNK-KRWDZBQOSA-N 1 3 306.425 2.725 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531728386 301106748 /nfs/dbraw/zinc/10/67/48/301106748.db2.gz FUBMZUFXJFGNQG-CVEARBPZSA-N 1 3 317.477 2.898 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)NCC[N@H+]1CC[C@@H](C)C1 ZINC000531728386 301106750 /nfs/dbraw/zinc/10/67/50/301106750.db2.gz FUBMZUFXJFGNQG-CVEARBPZSA-N 1 3 317.477 2.898 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000531946424 301120333 /nfs/dbraw/zinc/12/03/33/301120333.db2.gz PDZVHUITDYJBED-DLBZAZTESA-N 1 3 319.493 2.680 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000531946427 301120358 /nfs/dbraw/zinc/12/03/58/301120358.db2.gz PDZVHUITDYJBED-SJORKVTESA-N 1 3 319.493 2.680 20 0 DFADHO CC[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C1CCOCC1 ZINC000531955665 301120962 /nfs/dbraw/zinc/12/09/62/301120962.db2.gz PNSHPANUZKMLCS-IBGZPJMESA-N 1 3 320.477 2.922 20 0 DFADHO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000532221122 301137351 /nfs/dbraw/zinc/13/73/51/301137351.db2.gz RZAWPSLVNQPRAK-AEFFLSMTSA-N 1 3 317.477 2.646 20 0 DFADHO C[C@@H]1CCN(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000532239218 301139003 /nfs/dbraw/zinc/13/90/03/301139003.db2.gz KDTJTYWPHZOBOG-HBFSDRIKSA-N 1 3 315.505 2.828 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(Cc2cccc3c2OCO3)CC1 ZINC000535083227 301248430 /nfs/dbraw/zinc/24/84/30/301248430.db2.gz OJPPIIPXGISIJZ-UHFFFAOYSA-N 1 3 304.434 2.968 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(Cc2cccc3c2OCO3)CC1 ZINC000535083227 301248432 /nfs/dbraw/zinc/24/84/32/301248432.db2.gz OJPPIIPXGISIJZ-UHFFFAOYSA-N 1 3 304.434 2.968 20 0 DFADHO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000536749572 301289859 /nfs/dbraw/zinc/28/98/59/301289859.db2.gz IOKXIXYYFSVCSU-IAGOWNOFSA-N 1 3 319.497 2.913 20 0 DFADHO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000536749572 301289860 /nfs/dbraw/zinc/28/98/60/301289860.db2.gz IOKXIXYYFSVCSU-IAGOWNOFSA-N 1 3 319.497 2.913 20 0 DFADHO CC[N@@H+]1CC[C@@H](Nc2cccc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000540839559 301370431 /nfs/dbraw/zinc/37/04/31/301370431.db2.gz WEIWJICMRSHRMX-MAUKXSAKSA-N 1 3 305.466 2.769 20 0 DFADHO CC[N@H+]1CC[C@@H](Nc2cccc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000540839559 301370433 /nfs/dbraw/zinc/37/04/33/301370433.db2.gz WEIWJICMRSHRMX-MAUKXSAKSA-N 1 3 305.466 2.769 20 0 DFADHO CC[N@@H+]1CC[C@H](Nc2cccc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000540839562 301370570 /nfs/dbraw/zinc/37/05/70/301370570.db2.gz WEIWJICMRSHRMX-YJBOKZPZSA-N 1 3 305.466 2.769 20 0 DFADHO CC[N@H+]1CC[C@H](Nc2cccc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000540839562 301370573 /nfs/dbraw/zinc/37/05/73/301370573.db2.gz WEIWJICMRSHRMX-YJBOKZPZSA-N 1 3 305.466 2.769 20 0 DFADHO c1cc(N2CCC(C[NH2+][C@H]3CCC34CCOCC4)CC2)ccn1 ZINC000548793514 301614778 /nfs/dbraw/zinc/61/47/78/301614778.db2.gz FOWLBWYVKNAHDV-SFHVURJKSA-N 1 3 315.461 2.847 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)CCCC[NH+](C)C)c1ccccc1 ZINC000554006019 301724233 /nfs/dbraw/zinc/72/42/33/301724233.db2.gz BANWJERNUIEEBV-MRXNPFEDSA-N 1 3 319.493 2.964 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000562959260 302018212 /nfs/dbraw/zinc/01/82/12/302018212.db2.gz OSOCPCIAXPTAFC-BRWVUGGUSA-N 1 3 307.869 2.946 20 0 DFADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000562959260 302018215 /nfs/dbraw/zinc/01/82/15/302018215.db2.gz OSOCPCIAXPTAFC-BRWVUGGUSA-N 1 3 307.869 2.946 20 0 DFADHO C[NH+](C)CC1(CNCCC(=O)Nc2cccc(F)c2)CCCC1 ZINC000563013342 302026260 /nfs/dbraw/zinc/02/62/60/302026260.db2.gz IYFVTTNECZQVAX-UHFFFAOYSA-N 1 3 321.440 2.866 20 0 DFADHO CC(C)C[C@H](CNC(=O)[C@H](N)C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000563074925 302034512 /nfs/dbraw/zinc/03/45/12/302034512.db2.gz UOEPXNHVGOJHRU-CGTJXYLNSA-N 1 3 319.493 2.851 20 0 DFADHO CCN1CCN(c2ccc(N[C@@H]3CCC[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000563425023 302071745 /nfs/dbraw/zinc/07/17/45/302071745.db2.gz ODYXVDSKGFRIBH-IAGOWNOFSA-N 1 3 316.493 2.819 20 0 DFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528790 302079893 /nfs/dbraw/zinc/07/98/93/302079893.db2.gz GOZHUDNBCLYIEU-LAUBAEHRSA-N 1 3 324.468 2.817 20 0 DFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528790 302079895 /nfs/dbraw/zinc/07/98/95/302079895.db2.gz GOZHUDNBCLYIEU-LAUBAEHRSA-N 1 3 324.468 2.817 20 0 DFADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528790 302079899 /nfs/dbraw/zinc/07/98/99/302079899.db2.gz GOZHUDNBCLYIEU-LAUBAEHRSA-N 1 3 324.468 2.817 20 0 DFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000563571521 302083580 /nfs/dbraw/zinc/08/35/80/302083580.db2.gz BSZQWQNIBFBCIU-IXDOHACOSA-N 1 3 321.534 2.857 20 0 DFADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@](C)(O)C(F)(F)F ZINC000564076638 302117424 /nfs/dbraw/zinc/11/74/24/302117424.db2.gz FFOOLYVYPDHGCK-HNNXBMFYSA-N 1 3 318.383 2.930 20 0 DFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@](C)(O)C(F)(F)F ZINC000564076638 302117426 /nfs/dbraw/zinc/11/74/26/302117426.db2.gz FFOOLYVYPDHGCK-HNNXBMFYSA-N 1 3 318.383 2.930 20 0 DFADHO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)[C@H]1CCCNC1 ZINC000564714015 302152623 /nfs/dbraw/zinc/15/26/23/302152623.db2.gz RRXRVYBJXYNWJB-BQFCYCMXSA-N 1 3 316.493 2.585 20 0 DFADHO CSc1ccc2c(c1)[C@H]([NH2+]CC1(O)CCN(C)CC1)CCC2 ZINC000564729372 302154268 /nfs/dbraw/zinc/15/42/68/302154268.db2.gz OOIKKTYFHWSOMG-QGZVFWFLSA-N 1 3 320.502 2.832 20 0 DFADHO c1cc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc2c1OCO2 ZINC000564823542 302161232 /nfs/dbraw/zinc/16/12/32/302161232.db2.gz DLMUJDXMXAXGDD-GVDBMIGSSA-N 1 3 316.445 2.858 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H](CNCCC(=O)Nc2ccccc2)C1 ZINC000564851702 302164807 /nfs/dbraw/zinc/16/48/07/302164807.db2.gz FJFSMKPQTRVTIF-QGZVFWFLSA-N 1 3 317.477 2.973 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H](CNCCC(=O)Nc2ccccc2)C1 ZINC000564851702 302164809 /nfs/dbraw/zinc/16/48/09/302164809.db2.gz FJFSMKPQTRVTIF-QGZVFWFLSA-N 1 3 317.477 2.973 20 0 DFADHO CCC[C@@H](CC)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000565178665 302202294 /nfs/dbraw/zinc/20/22/94/302202294.db2.gz TXOAIOBAGHOKRN-QGZVFWFLSA-N 1 3 323.525 2.878 20 0 DFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000565652545 302234982 /nfs/dbraw/zinc/23/49/82/302234982.db2.gz XAWWXKDXXRCADO-BRWVUGGUSA-N 1 3 310.869 2.706 20 0 DFADHO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc2c1CCNC2 ZINC000565880692 302246338 /nfs/dbraw/zinc/24/63/38/302246338.db2.gz UDMLFPXJEZBRII-UHFFFAOYSA-N 1 3 318.465 2.574 20 0 DFADHO O=C(CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)NC1CCCCC1 ZINC000566089599 302258714 /nfs/dbraw/zinc/25/87/14/302258714.db2.gz VNWBWSQBECOQQW-KZNAEPCWSA-N 1 3 321.509 2.726 20 0 DFADHO O=C(CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)NC1CCCCC1 ZINC000566089601 302258765 /nfs/dbraw/zinc/25/87/65/302258765.db2.gz VNWBWSQBECOQQW-RCCFBDPRSA-N 1 3 321.509 2.726 20 0 DFADHO Cc1cccc(CCN2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000566155856 302263957 /nfs/dbraw/zinc/26/39/57/302263957.db2.gz LHYHQSWGDUQBMV-UHFFFAOYSA-N 1 3 317.477 2.509 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CO[C@H](C)C2)CC1 ZINC000566219512 302267962 /nfs/dbraw/zinc/26/79/62/302267962.db2.gz DLKSJLPBRWWERZ-FRQCXROJSA-N 1 3 302.462 2.849 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000566967962 302325966 /nfs/dbraw/zinc/32/59/66/302325966.db2.gz ZUYYMSHZKQSNPG-RDJZCZTQSA-N 1 3 324.428 2.551 20 0 DFADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000567063074 302333178 /nfs/dbraw/zinc/33/31/78/302333178.db2.gz NXVWFTXRGDKJJV-OAHLLOKOSA-N 1 3 318.465 2.648 20 0 DFADHO CCOc1c(OC)cc(CN2CCC(CC[NH3+])CC2)cc1OC ZINC000568007211 302408934 /nfs/dbraw/zinc/40/89/34/302408934.db2.gz CNFYBGAQPMNVCU-UHFFFAOYSA-N 1 3 322.449 2.663 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCOc2ccc(Br)cc2)C1 ZINC000568247592 302435137 /nfs/dbraw/zinc/43/51/37/302435137.db2.gz QXNVIJJSYCGFRC-QWHCGFSZSA-N 1 3 313.239 2.687 20 0 DFADHO CC(C)C[C@@H](CNC(=O)[C@@H](N)C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000570160029 302558800 /nfs/dbraw/zinc/55/88/00/302558800.db2.gz UOEPXNHVGOJHRU-SZMVWBNQSA-N 1 3 319.493 2.851 20 0 DFADHO COc1ccccc1OCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000571669401 302627803 /nfs/dbraw/zinc/62/78/03/302627803.db2.gz LCZSHEVNKFFNPA-IXDOHACOSA-N 1 3 318.461 2.974 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCCCC[NH2+]1)c1ccsc1 ZINC000572123280 302644540 /nfs/dbraw/zinc/64/45/40/302644540.db2.gz HFWWBAZFAWVHPQ-HZPDHXFCSA-N 1 3 323.506 2.779 20 0 DFADHO C[NH+](C)CCOCCN[C@H]1CCCOc2ccc(Cl)cc21 ZINC000572708133 302677508 /nfs/dbraw/zinc/67/75/08/302677508.db2.gz PMBHZQKEARKGLX-HNNXBMFYSA-N 1 3 312.841 2.722 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000181616436 316065207 /nfs/dbraw/zinc/06/52/07/316065207.db2.gz WHIHQPXGKCRYKE-YYIAUSFCSA-N 1 3 312.498 2.669 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000182341439 316097462 /nfs/dbraw/zinc/09/74/62/316097462.db2.gz DRRGERUKNCKPCL-LJQANCHMSA-N 1 3 319.468 2.819 20 0 DFADHO C[C@H](NCCN1CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686671 316190263 /nfs/dbraw/zinc/19/02/63/316190263.db2.gz WUECUVXKHWAMCQ-ROUUACIJSA-N 1 3 307.526 2.961 20 0 DFADHO C[C@H](NCCN1CCC(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686671 316190267 /nfs/dbraw/zinc/19/02/67/316190267.db2.gz WUECUVXKHWAMCQ-ROUUACIJSA-N 1 3 307.526 2.961 20 0 DFADHO CCOc1c(Cl)cc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000414789863 316657923 /nfs/dbraw/zinc/65/79/23/316657923.db2.gz FXKYUABOJBKFJS-OCCSQVGLSA-N 1 3 312.841 2.964 20 0 DFADHO COC1([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CCCC1 ZINC000421844935 316774474 /nfs/dbraw/zinc/77/44/74/316774474.db2.gz PCIKPIGVBQKPGS-ULQDDVLXSA-N 1 3 312.498 2.813 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450376140 317087822 /nfs/dbraw/zinc/08/78/22/317087822.db2.gz ZTGPEJOMBZMOGC-IVEQORNPSA-N 1 3 302.462 2.867 20 0 DFADHO CC(C)[C@H](Cn1cccn1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000453148496 317165820 /nfs/dbraw/zinc/16/58/20/317165820.db2.gz ZCIRDKMEXMXCMP-SFHVURJKSA-N 1 3 304.482 2.904 20 0 DFADHO CC(C)[C@H](Cn1cccn1)NC1CC[NH+](C2CCCC2)CC1 ZINC000453148496 317165822 /nfs/dbraw/zinc/16/58/22/317165822.db2.gz ZCIRDKMEXMXCMP-SFHVURJKSA-N 1 3 304.482 2.904 20 0 DFADHO Cc1ccc(C[C@H](CO)NC2CC[NH+](C(C)C)CC2)cc1C ZINC000453450440 317184546 /nfs/dbraw/zinc/18/45/46/317184546.db2.gz QXHYLVYQBSABLP-LJQANCHMSA-N 1 3 304.478 2.669 20 0 DFADHO C[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCCC[C@H]1C ZINC000459364743 317322092 /nfs/dbraw/zinc/32/20/92/317322092.db2.gz AIBYFJUGZMFOKC-IAGOWNOFSA-N 1 3 316.493 2.903 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488411488 317390628 /nfs/dbraw/zinc/39/06/28/317390628.db2.gz AIPXHMNPSOIEPT-CVEARBPZSA-N 1 3 313.555 2.522 20 0 DFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000488420572 317391557 /nfs/dbraw/zinc/39/15/57/317391557.db2.gz WQMITKBMFNWGPN-QFBILLFUSA-N 1 3 301.478 2.570 20 0 DFADHO CC(C)C[C@@H](CNC(=O)C1(N)CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000572758519 318002743 /nfs/dbraw/zinc/00/27/43/318002743.db2.gz NEBHXNMVRYXVRU-WBVHZDCISA-N 1 3 317.477 2.750 20 0 DFADHO C[C@@H](CNC(=O)c1ccccc1CN(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000572787438 318004007 /nfs/dbraw/zinc/00/40/07/318004007.db2.gz UHJRHLNEQCHJPS-CVEARBPZSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@@H](CNC(=O)c1ccccc1CN(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000572787438 318004009 /nfs/dbraw/zinc/00/40/09/318004009.db2.gz UHJRHLNEQCHJPS-CVEARBPZSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)N1CC[C@@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000574544397 318024040 /nfs/dbraw/zinc/02/40/40/318024040.db2.gz PSMPPKNOELRQSA-AWEZNQCLSA-N 1 3 318.490 2.969 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc2c(c1)OCO2 ZINC000574799925 318041303 /nfs/dbraw/zinc/04/13/03/318041303.db2.gz VZVLDAIIESUDOL-ZBFHGGJFSA-N 1 3 304.434 2.858 20 0 DFADHO CC(C)[C@@H](NCCOCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000575867769 318088476 /nfs/dbraw/zinc/08/84/76/318088476.db2.gz ZPOYAEUKFXTQOC-MRXNPFEDSA-N 1 3 300.393 2.830 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000576292761 318117066 /nfs/dbraw/zinc/11/70/66/318117066.db2.gz YPJJHTAHDYSGFW-STQMWFEESA-N 1 3 302.340 2.944 20 0 DFADHO C[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)C1=CCN(C)CC1 ZINC000576698241 318143849 /nfs/dbraw/zinc/14/38/49/318143849.db2.gz ZPUVHIJJUAGLBU-ZDUSSCGKSA-N 1 3 321.852 2.909 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCCNC1 ZINC000576726021 318146432 /nfs/dbraw/zinc/14/64/32/318146432.db2.gz ZQAOBCHFFPNTOU-ZBFHGGJFSA-N 1 3 303.450 2.698 20 0 DFADHO Cc1ccccc1OC[C@@H](O)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000577276114 318182475 /nfs/dbraw/zinc/18/24/75/318182475.db2.gz RMCDFJAFRKZNFP-MSOLQXFVSA-N 1 3 320.477 2.589 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@@H]2COc3cc(F)ccc3C2)[C@H]2CCC[C@@H]21 ZINC000577530547 318200219 /nfs/dbraw/zinc/20/02/19/318200219.db2.gz KCGHGYAVLQRCMF-YVSFHVDLSA-N 1 3 304.409 2.592 20 0 DFADHO C[N@H+]1CC[C@H](N[C@@H]2COc3cc(F)ccc3C2)[C@H]2CCC[C@@H]21 ZINC000577530547 318200222 /nfs/dbraw/zinc/20/02/22/318200222.db2.gz KCGHGYAVLQRCMF-YVSFHVDLSA-N 1 3 304.409 2.592 20 0 DFADHO COc1cc2c(cc1CN1CCC3(CC[NH2+]C3)CC1)O[C@@H](C)C2 ZINC000577730395 318213027 /nfs/dbraw/zinc/21/30/27/318213027.db2.gz PGINZZMIJFJNHF-AWEZNQCLSA-N 1 3 316.445 2.594 20 0 DFADHO C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@H]1CCCNC1 ZINC000578433960 318260361 /nfs/dbraw/zinc/26/03/61/318260361.db2.gz RPSCRDDDPNMZFA-HIFRSBDPSA-N 1 3 321.431 2.629 20 0 DFADHO C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC000578568991 318270251 /nfs/dbraw/zinc/27/02/51/318270251.db2.gz FOMKHHTYOBGXGG-CRAIPNDOSA-N 1 3 305.466 2.526 20 0 DFADHO COC[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000578637799 318274826 /nfs/dbraw/zinc/27/48/26/318274826.db2.gz ISNCIYCNNQUYBB-XYJFISCASA-N 1 3 304.434 2.503 20 0 DFADHO CC1CCC(O)(CNCc2ccccc2OCC[NH+](C)C)CC1 ZINC000578758919 318283505 /nfs/dbraw/zinc/28/35/05/318283505.db2.gz FMEXJANERZYRNA-UHFFFAOYSA-N 1 3 320.477 2.658 20 0 DFADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000578759195 318283686 /nfs/dbraw/zinc/28/36/86/318283686.db2.gz XDJQCEZWLVHSNN-KRWDZBQOSA-N 1 3 320.477 2.587 20 0 DFADHO COc1cc(OC)c(C[C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000578882402 318292752 /nfs/dbraw/zinc/29/27/52/318292752.db2.gz KQPLDXODAYALQL-BFHYXJOUSA-N 1 3 322.449 2.503 20 0 DFADHO Cn1ncc2ccc(C[NH2+]C3CCN(C(C)(C)C)CC3)cc21 ZINC000579064988 318304084 /nfs/dbraw/zinc/30/40/84/318304084.db2.gz ZVBZXHUJKXAXEJ-UHFFFAOYSA-N 1 3 300.450 2.926 20 0 DFADHO C[C@H](NCCOc1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000579342001 318323643 /nfs/dbraw/zinc/32/36/43/318323643.db2.gz IUTXGXIBFBSBRS-RYUDHWBXSA-N 1 3 300.805 2.836 20 0 DFADHO C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)[C@H]1CCCNC1 ZINC000579341989 318323696 /nfs/dbraw/zinc/32/36/96/318323696.db2.gz IKMRMUKRLQQZCG-SJORKVTESA-N 1 3 302.462 2.713 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCCNC2)c(C)c1 ZINC000579928544 318363861 /nfs/dbraw/zinc/36/38/61/318363861.db2.gz LCWJRCBLUVYINN-JKSUJKDBSA-N 1 3 303.450 2.752 20 0 DFADHO O=C(NCCCCC[NH+]1CCCCC1)C1CCN(C2CC2)CC1 ZINC000192525747 323242916 /nfs/dbraw/zinc/24/29/16/323242916.db2.gz PUBJXCAKRZPNFB-UHFFFAOYSA-N 1 3 321.509 2.633 20 0 DFADHO CCOC(=O)[C@]1(C(C)C)CCN(CCC[NH+]2CCCCC2)C1 ZINC000194876488 323274429 /nfs/dbraw/zinc/27/44/29/323274429.db2.gz XIHZKRQTZQUJRA-GOSISDBHSA-N 1 3 310.482 2.774 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381753642 323295947 /nfs/dbraw/zinc/29/59/47/323295947.db2.gz CMKBTOMMRCJRCF-SXLOBPIMSA-N 1 3 315.505 2.828 20 0 DFADHO C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000386573009 323319867 /nfs/dbraw/zinc/31/98/67/323319867.db2.gz MHHPGCXAJBCADQ-WDSOQIARSA-N 1 3 301.478 2.771 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CNCc2ccccc21 ZINC000390913346 323343595 /nfs/dbraw/zinc/34/35/95/323343595.db2.gz ZSWMDLXHXAROBY-QAPCUYQASA-N 1 3 317.477 2.500 20 0 DFADHO C[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)CN1CCCCC1 ZINC000396377271 323353283 /nfs/dbraw/zinc/35/32/83/323353283.db2.gz UDYNUQOIBMLJGK-NFOMZHRRSA-N 1 3 322.415 2.934 20 0 DFADHO C[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccoc1 ZINC000397502702 323355398 /nfs/dbraw/zinc/35/53/98/323355398.db2.gz GGMLSGDNFCTWQX-INIZCTEOSA-N 1 3 314.429 2.957 20 0 DFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccccc1CN(C)C ZINC000580835623 323441320 /nfs/dbraw/zinc/44/13/20/323441320.db2.gz JZZVKOPVAQYGKH-HNNXBMFYSA-N 1 3 317.477 2.551 20 0 DFADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)CN2CCC(C)CC2)cc1 ZINC000583036027 323784666 /nfs/dbraw/zinc/78/46/66/323784666.db2.gz VITGEQJSCKBIAS-HNNXBMFYSA-N 1 3 318.465 2.648 20 0 DFADHO CN1CCC(C[NH2+][C@H]2CCCC23CC3)(N2CCCCC2)CC1 ZINC000584005227 323949831 /nfs/dbraw/zinc/94/98/31/323949831.db2.gz LWAYNCONYMXBEU-KRWDZBQOSA-N 1 3 305.510 2.859 20 0 DFADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H](O)c1ccccc1 ZINC000297369864 533813163 /nfs/dbraw/zinc/81/31/63/533813163.db2.gz HNUYKUPLDHCYGL-KXBFYZLASA-N 1 3 311.429 2.762 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(c2ccc(F)cc2F)CC1)CN(C)C ZINC000293694175 534054442 /nfs/dbraw/zinc/05/44/42/534054442.db2.gz NXFVKVALZBSARG-ZDUSSCGKSA-N 1 3 311.420 2.721 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000154534736 521679672 /nfs/dbraw/zinc/67/96/72/521679672.db2.gz XPYLZVRPXJXHAC-QGZVFWFLSA-N 1 3 321.513 2.532 20 0 DFADHO CC[C@H](CSc1ccc(Cl)cc1)NC[C@@H](O)C[NH+](C)C ZINC000154372913 522287371 /nfs/dbraw/zinc/28/73/71/522287371.db2.gz WNHCRCQKCABGMI-ZIAGYGMSSA-N 1 3 316.898 2.723 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccccc1OC ZINC000154316361 522584336 /nfs/dbraw/zinc/58/43/36/522584336.db2.gz VYJBVIMQGFDOSU-SFHVURJKSA-N 1 3 319.493 2.764 20 0 DFADHO [NH3+]CC[C@@H]1CCCCN1CCCc1nc(-c2cccs2)no1 ZINC000315694858 534648567 /nfs/dbraw/zinc/64/85/67/534648567.db2.gz XHMVCXBGAITCEV-ZDUSSCGKSA-N 1 3 320.462 2.934 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000366352794 523820883 /nfs/dbraw/zinc/82/08/83/523820883.db2.gz GAILRDMKFTUKFN-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO NC1(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC000366350069 527127211 /nfs/dbraw/zinc/12/72/11/527127211.db2.gz YYHPAJDUVYVBIJ-OAHLLOKOSA-N 1 3 307.482 2.561 20 0 DFADHO NC1(C(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC000366350069 527127216 /nfs/dbraw/zinc/12/72/16/527127216.db2.gz YYHPAJDUVYVBIJ-OAHLLOKOSA-N 1 3 307.482 2.561 20 0 DFADHO O=C(NC1CCCCC1)C1CC[NH+](CCCN2CCCC2)CC1 ZINC000371178121 527512286 /nfs/dbraw/zinc/51/22/86/527512286.db2.gz RIHCTLHMSHJSTQ-UHFFFAOYSA-N 1 3 321.509 2.633 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@H](C)C1 ZINC000294986240 527883164 /nfs/dbraw/zinc/88/31/64/527883164.db2.gz HAUTXYJZAQAFQL-YPMHNXCESA-N 1 3 301.356 2.920 20 0 DFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H](C)NC1CC1 ZINC000295662002 528126971 /nfs/dbraw/zinc/12/69/71/528126971.db2.gz JKKVCVCYPFFZCY-AWEZNQCLSA-N 1 3 323.506 2.559 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@]1(CC)CC[NH2+]C1)c1ccccc1 ZINC000320491461 528277086 /nfs/dbraw/zinc/27/70/86/528277086.db2.gz VUKVVFYTYXZRHJ-MJGOQNOKSA-N 1 3 317.477 2.575 20 0 DFADHO CCCCN(C)C[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297459969 528360465 /nfs/dbraw/zinc/36/04/65/528360465.db2.gz QAUDNNXNULIKNL-INIZCTEOSA-N 1 3 304.482 2.760 20 0 DFADHO CC(C)C[C@H](CN(C)C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000315870396 528502999 /nfs/dbraw/zinc/50/29/99/528502999.db2.gz NEQITTYOOSASEL-QGZVFWFLSA-N 1 3 304.482 2.616 20 0 DFADHO CCC[NH2+][C@@H](C)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000294684988 528545417 /nfs/dbraw/zinc/54/54/17/528545417.db2.gz AGFFGLZLQZLLGI-HNNXBMFYSA-N 1 3 303.450 2.999 20 0 DFADHO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000261696296 535373142 /nfs/dbraw/zinc/37/31/42/535373142.db2.gz JQQWJRDDINMQHZ-FGTMMUONSA-N 1 3 321.509 2.534 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000261653062 535459627 /nfs/dbraw/zinc/45/96/27/535459627.db2.gz FKZSJQFPPSWMAZ-UHFFFAOYSA-N 1 3 322.449 2.534 20 0 DFADHO C[NH2+][C@H](C)Cc1noc([C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000261773199 536405913 /nfs/dbraw/zinc/40/59/13/536405913.db2.gz NINLKSZHESULEN-ZBFHGGJFSA-N 1 3 314.433 2.600 20 0 DFADHO COC[C@H]1CCCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681084717 545593801 /nfs/dbraw/zinc/59/38/01/545593801.db2.gz ZYIMINQXGJOIKV-SFHVURJKSA-N 1 3 320.477 2.876 20 0 DFADHO CN1CCC[C@H]1[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000683848382 546108072 /nfs/dbraw/zinc/10/80/72/546108072.db2.gz OWLVIJZNBBLWQB-DLBZAZTESA-N 1 3 321.509 2.584 20 0 DFADHO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCCN(C)C)c2)C1 ZINC000684371122 546202084 /nfs/dbraw/zinc/20/20/84/546202084.db2.gz LBWZOIBMNSOPCO-IAGOWNOFSA-N 1 3 306.450 2.674 20 0 DFADHO CO[C@H]1CCC[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)C1 ZINC000684375711 546203963 /nfs/dbraw/zinc/20/39/63/546203963.db2.gz AEBVRJODSGRCAZ-MJGOQNOKSA-N 1 3 320.477 2.717 20 0 DFADHO c1cc(N2CCN(CCCCC3CCOCC3)CC2)cc[nH+]1 ZINC000685002152 546316883 /nfs/dbraw/zinc/31/68/83/546316883.db2.gz XIEBYEVNKLQAHE-UHFFFAOYSA-N 1 3 303.450 2.801 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+](C)C2CCC(CO)CC2)cc1 ZINC000685468312 546357178 /nfs/dbraw/zinc/35/71/78/546357178.db2.gz KMIKMHQOBPPNKL-UHFFFAOYSA-N 1 3 320.477 2.610 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+](C)C2CCC(CO)CC2)cc1 ZINC000685468312 546357183 /nfs/dbraw/zinc/35/71/83/546357183.db2.gz KMIKMHQOBPPNKL-UHFFFAOYSA-N 1 3 320.477 2.610 20 0 DFADHO CN(C)CCN(C(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237113628 282088479 /nfs/dbraw/zinc/08/84/79/282088479.db2.gz HQGWBJCPYPYZQA-GOSISDBHSA-N 1 3 311.429 2.671 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459266357 299070154 /nfs/dbraw/zinc/07/01/54/299070154.db2.gz POIWDOKIDCPWNM-OAHLLOKOSA-N 1 3 318.465 2.602 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459266357 299070156 /nfs/dbraw/zinc/07/01/56/299070156.db2.gz POIWDOKIDCPWNM-OAHLLOKOSA-N 1 3 318.465 2.602 20 0 DFADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278435639 214151856 /nfs/dbraw/zinc/15/18/56/214151856.db2.gz HDUXAQDXUXJLMV-HOTGVXAUSA-N 1 3 318.461 2.773 20 0 DFADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278435639 214151858 /nfs/dbraw/zinc/15/18/58/214151858.db2.gz HDUXAQDXUXJLMV-HOTGVXAUSA-N 1 3 318.461 2.773 20 0 DFADHO Clc1nc2ccccn2c1CNCC1CC[NH+](C2CC2)CC1 ZINC000278472314 214175860 /nfs/dbraw/zinc/17/58/60/214175860.db2.gz HJVSVLWPUWWMBO-UHFFFAOYSA-N 1 3 318.852 2.952 20 0 DFADHO CC1(C)[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000278629305 214287722 /nfs/dbraw/zinc/28/77/22/214287722.db2.gz GUYVCRLCRPWAPO-KSZLIROESA-N 1 3 315.461 2.701 20 0 DFADHO CN(C)CCc1ccccc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000278666127 214311658 /nfs/dbraw/zinc/31/16/58/214311658.db2.gz CFNDESNIVUSSGN-UHFFFAOYSA-N 1 3 315.461 2.604 20 0 DFADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(N2CCOC2=O)cc1 ZINC000181296606 199278104 /nfs/dbraw/zinc/27/81/04/199278104.db2.gz FVJIYMIMZZVPIQ-HOCLYGCPSA-N 1 3 317.433 2.778 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1cnn(C)c1 ZINC000309696087 231100914 /nfs/dbraw/zinc/10/09/14/231100914.db2.gz DZORIRUKZMBUEA-SJLPKXTDSA-N 1 3 312.461 2.983 20 0 DFADHO Cc1nccn1[C@H]1CCCN([C@@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905708 398348445 /nfs/dbraw/zinc/34/84/45/398348445.db2.gz GXUUTXHFZXLTKB-RDJZCZTQSA-N 1 3 320.481 2.862 20 0 DFADHO CC[C@@H](CO)N1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302061275 529510197 /nfs/dbraw/zinc/51/01/97/529510197.db2.gz CJPZCFMJNGPIMQ-INIZCTEOSA-N 1 3 313.445 2.745 20 0 DFADHO CC(C)C[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236727856 398363296 /nfs/dbraw/zinc/36/32/96/398363296.db2.gz WSXFYXVPQRJTQT-GOSISDBHSA-N 1 3 317.477 2.662 20 0 DFADHO COc1cccc([C@H](CNC2CC[NH+](C(C)C)CC2)N(C)C)c1 ZINC000237328090 398369428 /nfs/dbraw/zinc/36/94/28/398369428.db2.gz OKGNWKCVEUYASD-IBGZPJMESA-N 1 3 319.493 2.760 20 0 DFADHO COc1cccc([C@H](C[NH2+]C2CCN(C(C)C)CC2)N(C)C)c1 ZINC000237328090 398369431 /nfs/dbraw/zinc/36/94/31/398369431.db2.gz OKGNWKCVEUYASD-IBGZPJMESA-N 1 3 319.493 2.760 20 0 DFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CNC2CC2)cc1 ZINC000237526675 398371349 /nfs/dbraw/zinc/37/13/49/398371349.db2.gz VJLRIFKBZBXSSM-AWEZNQCLSA-N 1 3 301.434 2.752 20 0 DFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CNC2CC2)cc1 ZINC000237526675 398371351 /nfs/dbraw/zinc/37/13/51/398371351.db2.gz VJLRIFKBZBXSSM-AWEZNQCLSA-N 1 3 301.434 2.752 20 0 DFADHO CCC[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028355 185278910 /nfs/dbraw/zinc/27/89/10/185278910.db2.gz WWICYPMTMBTJCJ-INIZCTEOSA-N 1 3 317.477 2.790 20 0 DFADHO COCCOc1cccc(CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000092380986 185314824 /nfs/dbraw/zinc/31/48/24/185314824.db2.gz FDOPNUIPTXJEKO-UHFFFAOYSA-N 1 3 320.477 2.876 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCc2cncn2C)CC1 ZINC000459377580 299091193 /nfs/dbraw/zinc/09/11/93/299091193.db2.gz YHJQKVWHCVVEDQ-KRWDZBQOSA-N 1 3 318.509 2.939 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCc2cncn2C)CC1 ZINC000459377580 299091198 /nfs/dbraw/zinc/09/11/98/299091198.db2.gz YHJQKVWHCVVEDQ-KRWDZBQOSA-N 1 3 318.509 2.939 20 0 DFADHO C[C@H]1CCC[C@H](C[NH2+]C2CCN(C3CCN(C)CC3)CC2)C1 ZINC000092564481 185326419 /nfs/dbraw/zinc/32/64/19/185326419.db2.gz VYUAFTVUVMYTEV-IRXDYDNUSA-N 1 3 307.526 2.961 20 0 DFADHO CN(C)[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277344919 398455104 /nfs/dbraw/zinc/45/51/04/398455104.db2.gz WGCFTUNCLLLZKZ-HNNXBMFYSA-N 1 3 321.421 2.780 20 0 DFADHO CN(C)[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277344919 398455107 /nfs/dbraw/zinc/45/51/07/398455107.db2.gz WGCFTUNCLLLZKZ-HNNXBMFYSA-N 1 3 321.421 2.780 20 0 DFADHO Fc1ccc2c(c1)[C@H](NC1CCN(c3cc[nH+]cc3)CC1)CO2 ZINC000459474400 299115419 /nfs/dbraw/zinc/11/54/19/299115419.db2.gz DTNFUVOBCVEXGP-QGZVFWFLSA-N 1 3 313.376 2.913 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)[C@H]1SC ZINC000459480565 299117822 /nfs/dbraw/zinc/11/78/22/299117822.db2.gz LWMKNYWZNUWGSA-QKPAOTATSA-N 1 3 300.512 2.750 20 0 DFADHO C[C@H](CN1CCCCCC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459498423 299121689 /nfs/dbraw/zinc/12/16/89/299121689.db2.gz LEDPUEIFIICCRN-QGZVFWFLSA-N 1 3 316.493 2.905 20 0 DFADHO Oc1cccc2c1C[C@H]([NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000459514721 299123081 /nfs/dbraw/zinc/12/30/81/299123081.db2.gz UJCSKEVNHLRMAB-MRXNPFEDSA-N 1 3 309.413 2.513 20 0 DFADHO C[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000272705139 210108972 /nfs/dbraw/zinc/10/89/72/210108972.db2.gz UAYMNQAZOVREFG-NXWXRZEISA-N 1 3 302.462 2.648 20 0 DFADHO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000068426032 398503029 /nfs/dbraw/zinc/50/30/29/398503029.db2.gz FMGGPCYOGACZSL-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(C(C)(C)C)c2)C[C@@H](C)O1 ZINC000067452596 282478036 /nfs/dbraw/zinc/47/80/36/282478036.db2.gz HOAQWUAORLWLQL-HZPDHXFCSA-N 1 3 322.497 2.617 20 0 DFADHO CC1(C)C[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)CCO1 ZINC000459595430 299143550 /nfs/dbraw/zinc/14/35/50/299143550.db2.gz MTGPUCDPMKOCLQ-OAHLLOKOSA-N 1 3 303.450 2.845 20 0 DFADHO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000272620902 210020930 /nfs/dbraw/zinc/02/09/30/210020930.db2.gz YGCPONLMJIQDKU-BHNDVYRESA-N 1 3 300.446 2.664 20 0 DFADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272620902 210020935 /nfs/dbraw/zinc/02/09/35/210020935.db2.gz YGCPONLMJIQDKU-BHNDVYRESA-N 1 3 300.446 2.664 20 0 DFADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272620902 210020938 /nfs/dbraw/zinc/02/09/38/210020938.db2.gz YGCPONLMJIQDKU-BHNDVYRESA-N 1 3 300.446 2.664 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)cc1OC ZINC000320271773 398546318 /nfs/dbraw/zinc/54/63/18/398546318.db2.gz UFJZIWOKKGWGSI-DOTOQJQBSA-N 1 3 320.477 2.955 20 0 DFADHO COCCC[NH+]1CCC(N[C@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000279744298 215109483 /nfs/dbraw/zinc/10/94/83/215109483.db2.gz PHFJOJVUOVCDNF-VQIMIIECSA-N 1 3 320.477 2.853 20 0 DFADHO Cc1cccc(CCC[NH+]2CCC(N(C)CCCO)CC2)c1 ZINC000272607879 210005915 /nfs/dbraw/zinc/00/59/15/210005915.db2.gz WJQLPEGLVGPLTF-UHFFFAOYSA-N 1 3 304.478 2.706 20 0 DFADHO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)CS1 ZINC000277343056 213459262 /nfs/dbraw/zinc/45/92/62/213459262.db2.gz VFMVTUQMUQDZSY-CVEARBPZSA-N 1 3 323.506 2.642 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)[C@@H]1SC ZINC000597257792 398609382 /nfs/dbraw/zinc/60/93/82/398609382.db2.gz WIEGFJVCRHDQRD-NXOAAHMSSA-N 1 3 312.523 2.607 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@@H]1SC ZINC000597257792 398609384 /nfs/dbraw/zinc/60/93/84/398609384.db2.gz WIEGFJVCRHDQRD-NXOAAHMSSA-N 1 3 312.523 2.607 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)[C@@H]1SC ZINC000597257792 398609386 /nfs/dbraw/zinc/60/93/86/398609386.db2.gz WIEGFJVCRHDQRD-NXOAAHMSSA-N 1 3 312.523 2.607 20 0 DFADHO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(OCCN(C)C)cc1 ZINC000164014881 186146052 /nfs/dbraw/zinc/14/60/52/186146052.db2.gz MHHKSZMBKKHZDT-RHSMWYFYSA-N 1 3 308.466 2.685 20 0 DFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc1 ZINC000164080016 186148262 /nfs/dbraw/zinc/14/82/62/186148262.db2.gz QBFGNBLOEJQGEA-MRXNPFEDSA-N 1 3 305.466 2.518 20 0 DFADHO CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000163937031 186143122 /nfs/dbraw/zinc/14/31/22/186143122.db2.gz DKPBXZSLYSOBQP-VKJFTORMSA-N 1 3 308.466 2.685 20 0 DFADHO CN1CCC[C@H]1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179725350 186210869 /nfs/dbraw/zinc/21/08/69/186210869.db2.gz ZGHJGTSVOKWNAU-QFBILLFUSA-N 1 3 316.445 2.983 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(OCCN(C)C)cc1 ZINC000188041226 186248251 /nfs/dbraw/zinc/24/82/51/186248251.db2.gz HTACPYMTRKDKFY-SZVBFZGTSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@H](CCNC(=O)C1(N)CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000237455358 186292272 /nfs/dbraw/zinc/29/22/72/186292272.db2.gz IEVZNNMTTDDRSP-MRXNPFEDSA-N 1 3 317.477 2.675 20 0 DFADHO C[C@H](CCNC(=O)C1(N)CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000237455358 186292274 /nfs/dbraw/zinc/29/22/74/186292274.db2.gz IEVZNNMTTDDRSP-MRXNPFEDSA-N 1 3 317.477 2.675 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2cnn(Cc3ccccc3)c2)C1 ZINC000459724933 299172817 /nfs/dbraw/zinc/17/28/17/299172817.db2.gz FIMSUOROXOLOAQ-SFHVURJKSA-N 1 3 312.461 2.753 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2cnn(Cc3ccccc3)c2)C1 ZINC000459724933 299172821 /nfs/dbraw/zinc/17/28/21/299172821.db2.gz FIMSUOROXOLOAQ-SFHVURJKSA-N 1 3 312.461 2.753 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000268758660 186381837 /nfs/dbraw/zinc/38/18/37/186381837.db2.gz GBTWHCWLMLXMPD-NUJGCVRESA-N 1 3 316.493 2.890 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[C@H]1CN ZINC000414804826 295820935 /nfs/dbraw/zinc/82/09/35/295820935.db2.gz PBXNEZZITCLYQO-XHSDSOJGSA-N 1 3 306.450 2.742 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000459734874 299176894 /nfs/dbraw/zinc/17/68/94/299176894.db2.gz OSTPDSOJVIMWLK-CYBMUJFWSA-N 1 3 324.852 2.933 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000459734874 299176895 /nfs/dbraw/zinc/17/68/95/299176895.db2.gz OSTPDSOJVIMWLK-CYBMUJFWSA-N 1 3 324.852 2.933 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414849737 295825755 /nfs/dbraw/zinc/82/57/55/295825755.db2.gz YLCDAJNYGLYTCU-LSDHHAIUSA-N 1 3 305.466 2.972 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000172047219 198030385 /nfs/dbraw/zinc/03/03/85/198030385.db2.gz HJLNSHYUFDRZMP-MRXNPFEDSA-N 1 3 318.465 2.554 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000172047219 198030387 /nfs/dbraw/zinc/03/03/87/198030387.db2.gz HJLNSHYUFDRZMP-MRXNPFEDSA-N 1 3 318.465 2.554 20 0 DFADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000277210148 213370025 /nfs/dbraw/zinc/37/00/25/213370025.db2.gz NDTYAPKKYLEKNK-INIZCTEOSA-N 1 3 307.413 2.570 20 0 DFADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000277210148 213370027 /nfs/dbraw/zinc/37/00/27/213370027.db2.gz NDTYAPKKYLEKNK-INIZCTEOSA-N 1 3 307.413 2.570 20 0 DFADHO COc1ccc(CNC[C@H](C)C[NH3+])cc1OCc1ccccc1 ZINC000414886398 295830225 /nfs/dbraw/zinc/83/02/25/295830225.db2.gz YABZYMTZXSCHJR-OAHLLOKOSA-N 1 3 314.429 2.959 20 0 DFADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1CC[NH2+]C1 ZINC000414916230 295834446 /nfs/dbraw/zinc/83/44/46/295834446.db2.gz PEAVQLMDOVGRJZ-HUUCEWRRSA-N 1 3 303.450 2.726 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)[C@H](C)C1 ZINC000173364138 198207685 /nfs/dbraw/zinc/20/76/85/198207685.db2.gz PKXHOLKDMFCHDO-PBHICJAKSA-N 1 3 316.424 2.831 20 0 DFADHO C[C@@H](NCCc1ccccc1OC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000415078880 295855286 /nfs/dbraw/zinc/85/52/86/295855286.db2.gz HBZPNEMUTPIEPI-DGCLKSJQSA-N 1 3 302.340 2.715 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000415087628 295856511 /nfs/dbraw/zinc/85/65/11/295856511.db2.gz WGYMMVXCXREZLI-OIISXLGYSA-N 1 3 306.425 2.887 20 0 DFADHO c1cn(Cc2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)cn1 ZINC000415091671 295856712 /nfs/dbraw/zinc/85/67/12/295856712.db2.gz ZOOTZJMTIIDIDC-XUVXKRRUSA-N 1 3 324.472 2.942 20 0 DFADHO Cc1cc(C)c(C[NH2+]CCCN2CCCN(C)CC2)cc1C ZINC000105477049 398693484 /nfs/dbraw/zinc/69/34/84/398693484.db2.gz NCVOFCDTOUXRTH-UHFFFAOYSA-N 1 3 303.494 2.729 20 0 DFADHO C[C@H](N[C@H]1CCCN(c2ccccc2Cl)C1)[C@H]1CC[NH2+]C1 ZINC000415090810 295856886 /nfs/dbraw/zinc/85/68/86/295856886.db2.gz ZQIJZSGEBUBFDR-KKUMJFAQSA-N 1 3 307.869 2.896 20 0 DFADHO CCN1CCN(c2ccc(N[C@@H](C)[C@H]3CC[NH2+]C3)c(C)c2)CC1 ZINC000415111438 295859476 /nfs/dbraw/zinc/85/94/76/295859476.db2.gz BZFGUFOKHAIRPT-IRXDYDNUSA-N 1 3 316.493 2.547 20 0 DFADHO C[C@@H]1CCC[C@H]1[NH2+]CC1(N)CCN(Cc2ccccc2)CC1 ZINC000415132674 295862754 /nfs/dbraw/zinc/86/27/54/295862754.db2.gz LLJRFMBBQOWAJS-SJLPKXTDSA-N 1 3 301.478 2.758 20 0 DFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC000415131058 295862567 /nfs/dbraw/zinc/86/25/67/295862567.db2.gz YKNBJHIZQQLEEF-AXHCFYFUSA-N 1 3 300.446 2.918 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCCOc2cc(F)ccc21 ZINC000182113495 199388619 /nfs/dbraw/zinc/38/86/19/199388619.db2.gz VGPRTELPUVEIMF-RDJZCZTQSA-N 1 3 324.440 2.986 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccsc1 ZINC000174625955 198361967 /nfs/dbraw/zinc/36/19/67/198361967.db2.gz ZMJWFUJHRBGSFJ-MRXNPFEDSA-N 1 3 323.506 2.589 20 0 DFADHO Cc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1F ZINC000415137203 295863619 /nfs/dbraw/zinc/86/36/19/295863619.db2.gz XYFLJNFYJHCQOL-MSOLQXFVSA-N 1 3 306.425 2.852 20 0 DFADHO CN1CCCN(CCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129739792 283026880 /nfs/dbraw/zinc/02/68/80/283026880.db2.gz AUSHVGANJJFQNA-LSDHHAIUSA-N 1 3 321.431 2.725 20 0 DFADHO CNCc1ccccc1NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000415901413 295899895 /nfs/dbraw/zinc/89/98/95/295899895.db2.gz MYZICYIGEKBHHI-OAHLLOKOSA-N 1 3 318.465 2.650 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C[C@@H]1C ZINC000591282623 398745209 /nfs/dbraw/zinc/74/52/09/398745209.db2.gz HUUABTLMQYOZSP-CAOSSQGBSA-N 1 3 308.466 2.619 20 0 DFADHO CCCN(CC(=O)Nc1ccccc1C)CC1CC[NH2+]CC1 ZINC000236971958 283106117 /nfs/dbraw/zinc/10/61/17/283106117.db2.gz RDQBTGMWVBBPNJ-UHFFFAOYSA-N 1 3 303.450 2.645 20 0 DFADHO CCc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1C ZINC000133466567 283151860 /nfs/dbraw/zinc/15/18/60/283151860.db2.gz AELMXKDEKGFRGA-UHFFFAOYSA-N 1 3 320.481 2.515 20 0 DFADHO CCN1CCC(NC(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000047933121 398765253 /nfs/dbraw/zinc/76/52/53/398765253.db2.gz YGLOHJJSUBOBLX-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)CC(C)C)c1ccccc1 ZINC000236827210 202028498 /nfs/dbraw/zinc/02/84/98/202028498.db2.gz HUSXUXHDHHJDGQ-IRXDYDNUSA-N 1 3 305.466 2.559 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@@H](N[C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000591578217 398772891 /nfs/dbraw/zinc/77/28/91/398772891.db2.gz AHBNMQMOCIFTSL-BMGDILEWSA-N 1 3 316.445 2.900 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000591578218 398773209 /nfs/dbraw/zinc/77/32/09/398773209.db2.gz AHBNMQMOCIFTSL-OLMNPRSZSA-N 1 3 316.445 2.900 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000236875924 202048246 /nfs/dbraw/zinc/04/82/46/202048246.db2.gz KEOQLXIXJXUSKX-GOSISDBHSA-N 1 3 303.494 2.797 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccsc1 ZINC000236885032 202050744 /nfs/dbraw/zinc/05/07/44/202050744.db2.gz GWALBDDQXDMJMC-NUEKZKHPSA-N 1 3 323.506 2.765 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000236928926 202076464 /nfs/dbraw/zinc/07/64/64/202076464.db2.gz IZELLNBJMADMGN-HZPDHXFCSA-N 1 3 303.450 2.984 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000236948019 202088940 /nfs/dbraw/zinc/08/89/40/202088940.db2.gz RDPDXFVYGXHMCA-PBHICJAKSA-N 1 3 305.466 2.518 20 0 DFADHO CCC[NH+]1CCC(NC[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC000121597819 398788227 /nfs/dbraw/zinc/78/82/27/398788227.db2.gz ROIMFJISJVMYIU-SFHVURJKSA-N 1 3 307.457 2.892 20 0 DFADHO CCCN1CCC([NH2+]C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC000121597819 398788228 /nfs/dbraw/zinc/78/82/28/398788228.db2.gz ROIMFJISJVMYIU-SFHVURJKSA-N 1 3 307.457 2.892 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237065514 202141158 /nfs/dbraw/zinc/14/11/58/202141158.db2.gz MKMRHEZIZFUJDS-ALOPSCKCSA-N 1 3 315.461 2.916 20 0 DFADHO CC(C)CN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000123131137 398796626 /nfs/dbraw/zinc/79/66/26/398796626.db2.gz YWFUHPPXSNTRBR-UHFFFAOYSA-N 1 3 305.422 2.847 20 0 DFADHO CC(C)C[NH+]1CCC(NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000123131137 398796627 /nfs/dbraw/zinc/79/66/27/398796627.db2.gz YWFUHPPXSNTRBR-UHFFFAOYSA-N 1 3 305.422 2.847 20 0 DFADHO CC(C)[C@@H](c1nc(-c2ccc(CN(C)C)cc2)no1)[C@@H](C)[NH3+] ZINC000416398792 295946741 /nfs/dbraw/zinc/94/67/41/295946741.db2.gz FUFDNJGIUUDZQI-IUODEOHRSA-N 1 3 302.422 2.885 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151322621 283281360 /nfs/dbraw/zinc/28/13/60/283281360.db2.gz SWAPUSNEEBBGRG-APWZRJJASA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@@H+]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151322621 283281364 /nfs/dbraw/zinc/28/13/64/283281364.db2.gz SWAPUSNEEBBGRG-APWZRJJASA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@H+]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151322621 283281366 /nfs/dbraw/zinc/28/13/66/283281366.db2.gz SWAPUSNEEBBGRG-APWZRJJASA-N 1 3 312.461 2.751 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000594495898 398809580 /nfs/dbraw/zinc/80/95/80/398809580.db2.gz FEDMNVCEPMNQLW-FDQGKXFDSA-N 1 3 316.445 2.923 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000594495898 398809581 /nfs/dbraw/zinc/80/95/81/398809581.db2.gz FEDMNVCEPMNQLW-FDQGKXFDSA-N 1 3 316.445 2.923 20 0 DFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H]1CCCO1 ZINC000179391213 199026959 /nfs/dbraw/zinc/02/69/59/199026959.db2.gz KRIMSAXNFQKPOV-SFHVURJKSA-N 1 3 303.450 2.799 20 0 DFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H]1CCCO1 ZINC000179391213 199026960 /nfs/dbraw/zinc/02/69/60/199026960.db2.gz KRIMSAXNFQKPOV-SFHVURJKSA-N 1 3 303.450 2.799 20 0 DFADHO CC(C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000594510520 398812523 /nfs/dbraw/zinc/81/25/23/398812523.db2.gz AFNFLQNAHQSKRZ-XHSDSOJGSA-N 1 3 310.482 2.817 20 0 DFADHO CC(C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000594510520 398812525 /nfs/dbraw/zinc/81/25/25/398812525.db2.gz AFNFLQNAHQSKRZ-XHSDSOJGSA-N 1 3 310.482 2.817 20 0 DFADHO CN(C/C=C/C[N@H+](C)C[C@@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000126006125 398810838 /nfs/dbraw/zinc/81/08/38/398810838.db2.gz MUANJHOPPBUWCP-ZBKUBXTQSA-N 1 3 310.482 2.544 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)[C@@H]1C ZINC000354327354 291122176 /nfs/dbraw/zinc/12/21/76/291122176.db2.gz GUTGRZGKNMFCRG-NCOADZHNSA-N 1 3 310.482 2.674 20 0 DFADHO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000179882391 199091634 /nfs/dbraw/zinc/09/16/34/199091634.db2.gz GDQKSTKHNFHBOU-CHWSQXEVSA-N 1 3 318.417 2.621 20 0 DFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NC[C@H]2CCCO2)C3)cc1 ZINC000180104640 199117721 /nfs/dbraw/zinc/11/77/21/199117721.db2.gz ZIVJNZVFJWCHRS-XVLXNVKGSA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(NC[C@H]2CCCO2)C3)cc1 ZINC000180104640 199117723 /nfs/dbraw/zinc/11/77/23/199117723.db2.gz ZIVJNZVFJWCHRS-XVLXNVKGSA-N 1 3 300.446 2.951 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccccc1F ZINC000180109217 199118281 /nfs/dbraw/zinc/11/82/81/199118281.db2.gz MOKSUSMSOYBLTK-GOSISDBHSA-N 1 3 307.457 2.894 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000180109504 199118761 /nfs/dbraw/zinc/11/87/61/199118761.db2.gz NVWVXTZITRVWEF-PXNSSMCTSA-N 1 3 315.505 2.846 20 0 DFADHO CCC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180139136 199122039 /nfs/dbraw/zinc/12/20/39/199122039.db2.gz NDHVIYILBLJWHH-XVLXNVKGSA-N 1 3 302.462 2.933 20 0 DFADHO CCC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180139136 199122041 /nfs/dbraw/zinc/12/20/41/199122041.db2.gz NDHVIYILBLJWHH-XVLXNVKGSA-N 1 3 302.462 2.933 20 0 DFADHO COCC[C@@H](C)[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180162871 199124840 /nfs/dbraw/zinc/12/48/40/199124840.db2.gz TWIBGGAABZRWFV-BVBHFADKSA-N 1 3 302.462 2.912 20 0 DFADHO CCC[C@]1(C)CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000076145534 398843618 /nfs/dbraw/zinc/84/36/18/398843618.db2.gz FWRVVKOEJYUOEH-LJQANCHMSA-N 1 3 323.525 2.878 20 0 DFADHO CC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000130320714 398844135 /nfs/dbraw/zinc/84/41/35/398844135.db2.gz RRKSAPWGIXHVFE-RVKKMQEKSA-N 1 3 317.477 2.518 20 0 DFADHO CC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000130320714 398844138 /nfs/dbraw/zinc/84/41/38/398844138.db2.gz RRKSAPWGIXHVFE-RVKKMQEKSA-N 1 3 317.477 2.518 20 0 DFADHO CC(C)(C)OC(=O)C1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000594993073 398887991 /nfs/dbraw/zinc/88/79/91/398887991.db2.gz ADMVDZYHAVZFCB-GJZGRUSLSA-N 1 3 308.466 2.715 20 0 DFADHO CC(C)(C)OC(=O)C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000594993073 398887992 /nfs/dbraw/zinc/88/79/92/398887992.db2.gz ADMVDZYHAVZFCB-GJZGRUSLSA-N 1 3 308.466 2.715 20 0 DFADHO C[C@H](CSCCF)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000595019669 398893428 /nfs/dbraw/zinc/89/34/28/398893428.db2.gz PBOCNVQTFDSPBK-RBSFLKMASA-N 1 3 306.491 2.557 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000294719308 283398420 /nfs/dbraw/zinc/39/84/20/283398420.db2.gz BRVZHXWITNZJPK-SJLPKXTDSA-N 1 3 317.477 2.636 20 0 DFADHO CCCC[N@H+](C)CC1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000152323046 398930517 /nfs/dbraw/zinc/93/05/17/398930517.db2.gz SOLOIYVWPBARLE-SFHVURJKSA-N 1 3 312.498 2.626 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000152323046 398930522 /nfs/dbraw/zinc/93/05/22/398930522.db2.gz SOLOIYVWPBARLE-SFHVURJKSA-N 1 3 312.498 2.626 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417325292 296010122 /nfs/dbraw/zinc/01/01/22/296010122.db2.gz QMMKIECWWOVMLY-YESZJQIVSA-N 1 3 321.534 2.857 20 0 DFADHO C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000417391924 296016275 /nfs/dbraw/zinc/01/62/75/296016275.db2.gz AZADCZJJKDAKDO-CENDIDJXSA-N 1 3 314.473 2.790 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417391924 296016276 /nfs/dbraw/zinc/01/62/76/296016276.db2.gz AZADCZJJKDAKDO-CENDIDJXSA-N 1 3 314.473 2.790 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417391924 296016277 /nfs/dbraw/zinc/01/62/77/296016277.db2.gz AZADCZJJKDAKDO-CENDIDJXSA-N 1 3 314.473 2.790 20 0 DFADHO COCCc1nc(C)c([C@H](C)NCC2=CC[N@H+](C)CC2)s1 ZINC000271896501 209305671 /nfs/dbraw/zinc/30/56/71/209305671.db2.gz UHZAOUPBDSNXST-LBPRGKRZSA-N 1 3 309.479 2.553 20 0 DFADHO COCCc1nc(C)c([C@H](C)NCC2=CC[N@@H+](C)CC2)s1 ZINC000271896501 209305676 /nfs/dbraw/zinc/30/56/76/209305676.db2.gz UHZAOUPBDSNXST-LBPRGKRZSA-N 1 3 309.479 2.553 20 0 DFADHO COCCc1nc(C)c([C@@H](C)NCC2=CC[N@H+](C)CC2)s1 ZINC000271896499 209305048 /nfs/dbraw/zinc/30/50/48/209305048.db2.gz UHZAOUPBDSNXST-GFCCVEGCSA-N 1 3 309.479 2.553 20 0 DFADHO COCCc1nc(C)c([C@@H](C)NCC2=CC[N@@H+](C)CC2)s1 ZINC000271896499 209305051 /nfs/dbraw/zinc/30/50/51/209305051.db2.gz UHZAOUPBDSNXST-GFCCVEGCSA-N 1 3 309.479 2.553 20 0 DFADHO C[N@@H+]1CC[C@H]2CCN(CCCc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC000193310924 201027203 /nfs/dbraw/zinc/02/72/03/201027203.db2.gz NQGCXDINDADFAD-FUHWJXTLSA-N 1 3 300.446 2.580 20 0 DFADHO C[N@H+]1CC[C@H]2CCN(CCCc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC000193310924 201027206 /nfs/dbraw/zinc/02/72/06/201027206.db2.gz NQGCXDINDADFAD-FUHWJXTLSA-N 1 3 300.446 2.580 20 0 DFADHO Nc1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)ccn1 ZINC000193445622 201051818 /nfs/dbraw/zinc/05/18/18/201051818.db2.gz DHODQLNPRBVTKK-UHFFFAOYSA-N 1 3 302.466 2.752 20 0 DFADHO COC(=O)c1cccc(CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000056525364 398977486 /nfs/dbraw/zinc/97/74/86/398977486.db2.gz MPRUIQJTAYONAZ-UHFFFAOYSA-N 1 3 304.434 2.637 20 0 DFADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@@H](C)c1nc2ccccc2s1 ZINC000447594097 297309942 /nfs/dbraw/zinc/30/99/42/297309942.db2.gz WWTQRXYVPHKUJW-ZIAGYGMSSA-N 1 3 321.490 2.956 20 0 DFADHO CC(C)(C(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@H](N)c1ccccc1 ZINC000417800395 296052331 /nfs/dbraw/zinc/05/23/31/296052331.db2.gz SOGCASGBLSWAMM-DLBZAZTESA-N 1 3 317.477 2.736 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2C(=O)N(C)C)C[C@@H]1C ZINC000417796557 296051861 /nfs/dbraw/zinc/05/18/61/296051861.db2.gz SKJSCPZQCLXNOG-DOTOQJQBSA-N 1 3 317.477 2.693 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2C(=O)N(C)C)C[C@@H]1C ZINC000417796557 296051862 /nfs/dbraw/zinc/05/18/62/296051862.db2.gz SKJSCPZQCLXNOG-DOTOQJQBSA-N 1 3 317.477 2.693 20 0 DFADHO CCc1ccccc1[C@H](N)CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000417825963 296055288 /nfs/dbraw/zinc/05/52/88/296055288.db2.gz CXUPDOJUNJNSNR-QGZVFWFLSA-N 1 3 317.477 2.664 20 0 DFADHO CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000475127095 299344044 /nfs/dbraw/zinc/34/40/44/299344044.db2.gz AURBVZXAIGUEND-DLBZAZTESA-N 1 3 319.493 2.820 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000091285071 193031030 /nfs/dbraw/zinc/03/10/30/193031030.db2.gz TVALHRHSMZYLJH-IBGZPJMESA-N 1 3 301.478 2.755 20 0 DFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC(C)(C)CCC[NH3+])cc1 ZINC000418349573 296087305 /nfs/dbraw/zinc/08/73/05/296087305.db2.gz KMTRLKFMCYXLAR-INIZCTEOSA-N 1 3 320.481 2.627 20 0 DFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418359735 296088340 /nfs/dbraw/zinc/08/83/40/296088340.db2.gz SHBMJFPKMLNVCQ-IAGOWNOFSA-N 1 3 320.481 2.627 20 0 DFADHO CCOc1cncc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000621727655 399051122 /nfs/dbraw/zinc/05/11/22/399051122.db2.gz LOUCZVWNOMPRCT-KRWDZBQOSA-N 1 3 303.450 2.644 20 0 DFADHO Cc1nn(-c2ccccc2)c(C)c1CNCC1=CC[N@H+](C)CC1 ZINC000271776892 209205590 /nfs/dbraw/zinc/20/55/90/209205590.db2.gz CQEUMHXSBCVWOT-UHFFFAOYSA-N 1 3 310.445 2.841 20 0 DFADHO Cc1nn(-c2ccccc2)c(C)c1CNCC1=CC[N@@H+](C)CC1 ZINC000271776892 209205593 /nfs/dbraw/zinc/20/55/93/209205593.db2.gz CQEUMHXSBCVWOT-UHFFFAOYSA-N 1 3 310.445 2.841 20 0 DFADHO CN(C)Cc1cccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000479420383 299376794 /nfs/dbraw/zinc/37/67/94/299376794.db2.gz XTBAGXLHKXGCIR-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO CN(C)Cc1cccc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000479420383 299376798 /nfs/dbraw/zinc/37/67/98/299376798.db2.gz XTBAGXLHKXGCIR-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000479445265 299377654 /nfs/dbraw/zinc/37/76/54/299377654.db2.gz KZBGKOCPPHPSEB-KRWDZBQOSA-N 1 3 305.466 2.531 20 0 DFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccc(NC(N)=O)cc1 ZINC000367755645 299386155 /nfs/dbraw/zinc/38/61/55/299386155.db2.gz PYPDHMFROUQSLZ-KKBVYLPWSA-N 1 3 316.449 2.701 20 0 DFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccc(NC(N)=O)cc1 ZINC000367755645 299386158 /nfs/dbraw/zinc/38/61/58/299386158.db2.gz PYPDHMFROUQSLZ-KKBVYLPWSA-N 1 3 316.449 2.701 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000274327797 296119253 /nfs/dbraw/zinc/11/92/53/296119253.db2.gz YZOFYWODVWKXEZ-OAHLLOKOSA-N 1 3 320.477 2.971 20 0 DFADHO C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CSCCS1 ZINC000253036310 202872483 /nfs/dbraw/zinc/87/24/83/202872483.db2.gz XEBIQWKTSITSEJ-BARDWOONSA-N 1 3 300.537 2.735 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000261725360 203103086 /nfs/dbraw/zinc/10/30/86/203103086.db2.gz MJDGFTRENPEDNT-MAUKXSAKSA-N 1 3 317.477 2.654 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccsc1 ZINC000261874543 203140956 /nfs/dbraw/zinc/14/09/56/203140956.db2.gz YHZLOAORWGFAJJ-FVQBIDKESA-N 1 3 323.506 2.622 20 0 DFADHO CCC[C@@](C)(N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000262095432 203197344 /nfs/dbraw/zinc/19/73/44/203197344.db2.gz BNVRURBJTHKWQY-CRAIPNDOSA-N 1 3 305.466 2.531 20 0 DFADHO CCC[C@@](C)(N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000262095432 203197348 /nfs/dbraw/zinc/19/73/48/203197348.db2.gz BNVRURBJTHKWQY-CRAIPNDOSA-N 1 3 305.466 2.531 20 0 DFADHO Cc1cccnc1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000093170963 193210831 /nfs/dbraw/zinc/21/08/31/193210831.db2.gz LPZGCICKHSUFIN-IAGOWNOFSA-N 1 3 317.477 2.711 20 0 DFADHO C[C@H]([NH2+]C1(CNC(=O)C(C)(C)N)CCCC1)c1ccccc1 ZINC000262677015 203379082 /nfs/dbraw/zinc/37/90/82/203379082.db2.gz SVNRIUINERXMOB-AWEZNQCLSA-N 1 3 303.450 2.504 20 0 DFADHO CCC[C@@](C)(N)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000262690868 203381898 /nfs/dbraw/zinc/38/18/98/203381898.db2.gz AJWCGUWPJVKVPZ-RDTXWAMCSA-N 1 3 305.466 2.750 20 0 DFADHO CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000262717034 203392108 /nfs/dbraw/zinc/39/21/08/203392108.db2.gz VZBLHMPUNXJVHF-HKUYNNGSSA-N 1 3 317.477 2.766 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2cncs2)CC1 ZINC000093769402 193302453 /nfs/dbraw/zinc/30/24/53/193302453.db2.gz UHWJHKFONBTIPN-UHFFFAOYSA-N 1 3 311.495 2.714 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cncs2)CC1 ZINC000093769402 193302455 /nfs/dbraw/zinc/30/24/55/193302455.db2.gz UHWJHKFONBTIPN-UHFFFAOYSA-N 1 3 311.495 2.714 20 0 DFADHO C[C@H](NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000282445870 217001092 /nfs/dbraw/zinc/00/10/92/217001092.db2.gz UUJCTRCOVNDPHP-ZDUSSCGKSA-N 1 3 311.420 2.641 20 0 DFADHO C[C@H](NCCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000282445870 217001094 /nfs/dbraw/zinc/00/10/94/217001094.db2.gz UUJCTRCOVNDPHP-ZDUSSCGKSA-N 1 3 311.420 2.641 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)[C@H]1C ZINC000596058070 399157885 /nfs/dbraw/zinc/15/78/85/399157885.db2.gz BXWVKOQSMNTXJV-DKIMLUQUSA-N 1 3 322.493 2.676 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)[C@@H]1C ZINC000596058072 399157975 /nfs/dbraw/zinc/15/79/75/399157975.db2.gz BXWVKOQSMNTXJV-UBDQQSCGSA-N 1 3 322.493 2.676 20 0 DFADHO CCS[C@H]1CC[C@H]([N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420294533 296170423 /nfs/dbraw/zinc/17/04/23/296170423.db2.gz AZUAWFYBLXJIJI-XSLAGTTESA-N 1 3 322.518 2.523 20 0 DFADHO CCS[C@H]1CC[C@H]([N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420294533 296170425 /nfs/dbraw/zinc/17/04/25/296170425.db2.gz AZUAWFYBLXJIJI-XSLAGTTESA-N 1 3 322.518 2.523 20 0 DFADHO CCS[C@H]1CC[C@H](N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420294533 296170426 /nfs/dbraw/zinc/17/04/26/296170426.db2.gz AZUAWFYBLXJIJI-XSLAGTTESA-N 1 3 322.518 2.523 20 0 DFADHO c1ccc2c(c1)cccc2C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000420294897 296170646 /nfs/dbraw/zinc/17/06/46/296170646.db2.gz BLTCPJFCIQMQOJ-UHFFFAOYSA-N 1 3 323.484 2.924 20 0 DFADHO FC(F)(F)C1(C(F)(F)F)CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420296460 296170854 /nfs/dbraw/zinc/17/08/54/296170854.db2.gz DPXIGIZDNPYTBV-VIFPVBQESA-N 1 3 304.278 2.803 20 0 DFADHO Cc1cc(C)cc(NC(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000420302170 296171641 /nfs/dbraw/zinc/17/16/41/296171641.db2.gz BGSZKCBPFQYYNM-JKSUJKDBSA-N 1 3 303.450 2.691 20 0 DFADHO C[NH2+]CCC1CCN(Cc2cc(C(=O)OC)sc2C)CC1 ZINC000420302647 296171721 /nfs/dbraw/zinc/17/17/21/296171721.db2.gz GHFWPZVMUCZGPS-UHFFFAOYSA-N 1 3 310.463 2.665 20 0 DFADHO C[N@H+](CCC1CCCCC1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420304493 296172192 /nfs/dbraw/zinc/17/21/92/296172192.db2.gz OPDIYKXGFGHBPG-OALUTQOASA-N 1 3 304.478 2.820 20 0 DFADHO C[N@@H+](CCC1CCCCC1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420304493 296172193 /nfs/dbraw/zinc/17/21/93/296172193.db2.gz OPDIYKXGFGHBPG-OALUTQOASA-N 1 3 304.478 2.820 20 0 DFADHO CN(CCC1CCCCC1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420304493 296172194 /nfs/dbraw/zinc/17/21/94/296172194.db2.gz OPDIYKXGFGHBPG-OALUTQOASA-N 1 3 304.478 2.820 20 0 DFADHO C[C@H](C[N@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1)c1ccccc1 ZINC000420302585 296171800 /nfs/dbraw/zinc/17/18/00/296171800.db2.gz MSBHYMTXLBCUEU-UXPWSPDFSA-N 1 3 312.457 2.653 20 0 DFADHO C[C@H](C[N@@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1)c1ccccc1 ZINC000420302585 296171801 /nfs/dbraw/zinc/17/18/01/296171801.db2.gz MSBHYMTXLBCUEU-UXPWSPDFSA-N 1 3 312.457 2.653 20 0 DFADHO C[C@H](CN(C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000420302585 296171802 /nfs/dbraw/zinc/17/18/02/296171802.db2.gz MSBHYMTXLBCUEU-UXPWSPDFSA-N 1 3 312.457 2.653 20 0 DFADHO Cc1cc(C)cc(NC(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000420302169 296171928 /nfs/dbraw/zinc/17/19/28/296171928.db2.gz BGSZKCBPFQYYNM-HZPDHXFCSA-N 1 3 303.450 2.691 20 0 DFADHO CN(CCC(=O)Nc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000420308525 296172814 /nfs/dbraw/zinc/17/28/14/296172814.db2.gz KIPKRMSGJQWNBE-HNNXBMFYSA-N 1 3 309.841 2.743 20 0 DFADHO Clc1ccc(CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)s1 ZINC000420307938 296173070 /nfs/dbraw/zinc/17/30/70/296173070.db2.gz RSJADSHKSWCPEL-CYBMUJFWSA-N 1 3 313.898 2.519 20 0 DFADHO COc1c(C)cnc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420319389 296174337 /nfs/dbraw/zinc/17/43/37/296174337.db2.gz ABFNLFOBIQVIBZ-HOTGVXAUSA-N 1 3 303.450 2.529 20 0 DFADHO CN(C)Cc1cccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000607385152 399164226 /nfs/dbraw/zinc/16/42/26/399164226.db2.gz YVVGXWBRCLVILS-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO CN(C)Cc1cccc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000607385152 399164228 /nfs/dbraw/zinc/16/42/28/399164228.db2.gz YVVGXWBRCLVILS-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO [NH3+]C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)CC12CCOCC2 ZINC000420321265 296174875 /nfs/dbraw/zinc/17/48/75/296174875.db2.gz COZYGRMVVREVNG-RHSMWYFYSA-N 1 3 304.409 2.500 20 0 DFADHO CC(=O)Nc1cccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420340081 296177357 /nfs/dbraw/zinc/17/73/57/296177357.db2.gz RVFFRNGGJKXXKD-SFHVURJKSA-N 1 3 301.434 2.609 20 0 DFADHO COC(=O)c1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)s1 ZINC000420338904 296177401 /nfs/dbraw/zinc/17/74/01/296177401.db2.gz YGYGHTWLWNTGHF-KGLIPLIRSA-N 1 3 322.474 2.665 20 0 DFADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420335080 296176761 /nfs/dbraw/zinc/17/67/61/296176761.db2.gz JWMRVHWRVWRSPD-CRAIPNDOSA-N 1 3 321.509 2.630 20 0 DFADHO CCc1ccc(NC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420347381 296178475 /nfs/dbraw/zinc/17/84/75/296178475.db2.gz YILFXYXRAZWWKS-OIISXLGYSA-N 1 3 315.461 2.507 20 0 DFADHO Fc1ccccc1-c1cnc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000420347387 296178509 /nfs/dbraw/zinc/17/85/09/296178509.db2.gz YLLVSWPYFLNGPS-OKILXGFUSA-N 1 3 315.392 2.912 20 0 DFADHO CCc1cccc(NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420346578 296178528 /nfs/dbraw/zinc/17/85/28/296178528.db2.gz YTYMQXKAOPOWBS-IAGOWNOFSA-N 1 3 315.461 2.509 20 0 DFADHO CC(C)(C)[C@@H](C[NH3+])NCCCc1nc(-c2ccccc2)no1 ZINC000420353929 296178757 /nfs/dbraw/zinc/17/87/57/296178757.db2.gz CKVXCLXOWZDKDS-CQSZACIVSA-N 1 3 302.422 2.632 20 0 DFADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)Nc1ccccc1Cl ZINC000420356369 296179098 /nfs/dbraw/zinc/17/90/98/296179098.db2.gz GHKDRAWOHXSVLK-AWEZNQCLSA-N 1 3 309.841 2.646 20 0 DFADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000420356369 296179099 /nfs/dbraw/zinc/17/90/99/296179099.db2.gz GHKDRAWOHXSVLK-AWEZNQCLSA-N 1 3 309.841 2.646 20 0 DFADHO CN(C)[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000297605078 227357296 /nfs/dbraw/zinc/35/72/96/227357296.db2.gz KFMAEEAAXPUERT-HXUWFJFHSA-N 1 3 324.472 2.943 20 0 DFADHO COc1cccc(NC(=O)CCN[C@H](C[NH3+])C2CCCCC2)c1 ZINC000420365778 296180721 /nfs/dbraw/zinc/18/07/21/296180721.db2.gz LONQCACXJHUDBA-QGZVFWFLSA-N 1 3 319.449 2.521 20 0 DFADHO C[C@@H](c1ccsc1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420362009 296180351 /nfs/dbraw/zinc/18/03/51/296180351.db2.gz AAXISLIREWVMRN-JKSUJKDBSA-N 1 3 307.507 2.816 20 0 DFADHO [NH3+]CCOCCN1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000420363171 296180404 /nfs/dbraw/zinc/18/04/04/296180404.db2.gz PCUWJYMORCZZKL-UHFFFAOYSA-N 1 3 316.367 2.860 20 0 DFADHO NC[C@@H]1C[N@H+](CCCOc2cccc3ccccc32)CCCO1 ZINC000420383851 296183891 /nfs/dbraw/zinc/18/38/91/296183891.db2.gz FWJVQUONFZUVPC-QGZVFWFLSA-N 1 3 314.429 2.658 20 0 DFADHO NC[C@@H]1C[N@@H+](CCCOc2cccc3ccccc32)CCCO1 ZINC000420383851 296183892 /nfs/dbraw/zinc/18/38/92/296183892.db2.gz FWJVQUONFZUVPC-QGZVFWFLSA-N 1 3 314.429 2.658 20 0 DFADHO COc1ccc(OCCCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420393500 296185343 /nfs/dbraw/zinc/18/53/43/296185343.db2.gz JSIGIOUSQLHRIV-LPHOPBHVSA-N 1 3 318.461 2.928 20 0 DFADHO COc1ccc(OCCCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420393499 296185352 /nfs/dbraw/zinc/18/53/52/296185352.db2.gz JSIGIOUSQLHRIV-APWZRJJASA-N 1 3 318.461 2.928 20 0 DFADHO COc1ccc(OCCCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420393502 296185444 /nfs/dbraw/zinc/18/54/44/296185444.db2.gz JSIGIOUSQLHRIV-VQIMIIECSA-N 1 3 318.461 2.928 20 0 DFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCSc3ccccc3)CC2)C1 ZINC000420396850 296185635 /nfs/dbraw/zinc/18/56/35/296185635.db2.gz WMYSSPUEHBQLBR-AEFFLSMTSA-N 1 3 320.502 2.997 20 0 DFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCSc3ccccc3)CC2)C1 ZINC000420396851 296185657 /nfs/dbraw/zinc/18/56/57/296185657.db2.gz WMYSSPUEHBQLBR-FUHWJXTLSA-N 1 3 320.502 2.997 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000342732717 284396107 /nfs/dbraw/zinc/39/61/07/284396107.db2.gz LCNIASWXWUMKOH-ZOBUZTSGSA-N 1 3 317.477 2.620 20 0 DFADHO Cc1ncc(C[NH2+]C[C@H]2CCN(C3CC3)C2)n1-c1ccccc1 ZINC000081292618 399223415 /nfs/dbraw/zinc/22/34/15/399223415.db2.gz ZUFLGFWQXIUQIR-MRXNPFEDSA-N 1 3 310.445 2.755 20 0 DFADHO CC[NH+]1CCC(CCNCc2nn(C)c3ccccc23)CC1 ZINC000608062103 399229304 /nfs/dbraw/zinc/22/93/04/399229304.db2.gz TZCOTCVASPIJJB-UHFFFAOYSA-N 1 3 300.450 2.785 20 0 DFADHO CSC1(CNCc2ccc(C(F)F)nc2)CC[NH+](C)CC1 ZINC000601125808 399233914 /nfs/dbraw/zinc/23/39/14/399233914.db2.gz VCLRRCYINGXLJS-UHFFFAOYSA-N 1 3 315.433 2.936 20 0 DFADHO CSC1(C[NH2+]Cc2ccc(C(F)F)nc2)CCN(C)CC1 ZINC000601125808 399233918 /nfs/dbraw/zinc/23/39/18/399233918.db2.gz VCLRRCYINGXLJS-UHFFFAOYSA-N 1 3 315.433 2.936 20 0 DFADHO CC[NH+]1CCC(CCNCc2cn3cc(C)ccc3n2)CC1 ZINC000283884670 217797609 /nfs/dbraw/zinc/79/76/09/217797609.db2.gz JIELNNCORYVCHL-UHFFFAOYSA-N 1 3 300.450 2.854 20 0 DFADHO CCc1ccc(CN2CCCN(C3CC[NH+](CC)CC3)CC2)o1 ZINC000421365714 296248886 /nfs/dbraw/zinc/24/88/86/296248886.db2.gz BYXGEDJLCNUNEL-UHFFFAOYSA-N 1 3 319.493 2.834 20 0 DFADHO CCc1ccc(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)o1 ZINC000421365714 296248887 /nfs/dbraw/zinc/24/88/87/296248887.db2.gz BYXGEDJLCNUNEL-UHFFFAOYSA-N 1 3 319.493 2.834 20 0 DFADHO CCc1ccc(CN2CCC[N@H+](C3CCN(CC)CC3)CC2)o1 ZINC000421365714 296248888 /nfs/dbraw/zinc/24/88/88/296248888.db2.gz BYXGEDJLCNUNEL-UHFFFAOYSA-N 1 3 319.493 2.834 20 0 DFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccoc3C)CC2)CC1 ZINC000421376480 296250247 /nfs/dbraw/zinc/25/02/47/296250247.db2.gz QNBXDAJZCWIMRP-UHFFFAOYSA-N 1 3 305.466 2.580 20 0 DFADHO CCN1CCC([N@H+]2CCCN(Cc3ccoc3C)CC2)CC1 ZINC000421376480 296250249 /nfs/dbraw/zinc/25/02/49/296250249.db2.gz QNBXDAJZCWIMRP-UHFFFAOYSA-N 1 3 305.466 2.580 20 0 DFADHO CC[NH+]1CCC(N2CCCN(Cc3ccoc3C)CC2)CC1 ZINC000421376480 296250251 /nfs/dbraw/zinc/25/02/51/296250251.db2.gz QNBXDAJZCWIMRP-UHFFFAOYSA-N 1 3 305.466 2.580 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000623053284 399319586 /nfs/dbraw/zinc/31/95/86/399319586.db2.gz AHTBZRUBIZOVSE-INIZCTEOSA-N 1 3 316.449 2.544 20 0 DFADHO CN(C)Cc1cccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000623057867 399321093 /nfs/dbraw/zinc/32/10/93/399321093.db2.gz JJRUTEHDSYOVII-KRWDZBQOSA-N 1 3 318.465 2.777 20 0 DFADHO Cc1oc2ccccc2c1C[NH2+]CCCN(C)CCN(C)C ZINC000623088128 399324930 /nfs/dbraw/zinc/32/49/30/399324930.db2.gz XLZPYHRGJIUBMU-UHFFFAOYSA-N 1 3 303.450 2.714 20 0 DFADHO COc1ccc([C@@H](NCCOCC[NH+](C)C)C(C)C)c(F)c1 ZINC000421842676 296277357 /nfs/dbraw/zinc/27/73/57/296277357.db2.gz OKFFDBBANWDJNV-KRWDZBQOSA-N 1 3 312.429 2.699 20 0 DFADHO CCCCOc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000284419210 218019858 /nfs/dbraw/zinc/01/98/58/218019858.db2.gz QRYXDAMHJFUVQC-INIZCTEOSA-N 1 3 320.477 2.973 20 0 DFADHO CN(C)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363187 399372810 /nfs/dbraw/zinc/37/28/10/399372810.db2.gz FBEAKYVIFVHKHT-IRXDYDNUSA-N 1 3 307.457 2.891 20 0 DFADHO CN(C)[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363187 399372813 /nfs/dbraw/zinc/37/28/13/399372813.db2.gz FBEAKYVIFVHKHT-IRXDYDNUSA-N 1 3 307.457 2.891 20 0 DFADHO CN(C)[C@@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363187 399372817 /nfs/dbraw/zinc/37/28/17/399372817.db2.gz FBEAKYVIFVHKHT-IRXDYDNUSA-N 1 3 307.457 2.891 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)c1ccccc1 ZINC000106429012 194213296 /nfs/dbraw/zinc/21/32/96/194213296.db2.gz GUVWJGJUHGYDKX-MSOLQXFVSA-N 1 3 319.493 2.772 20 0 DFADHO CN1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)CC1(C)C ZINC000623398994 399380382 /nfs/dbraw/zinc/38/03/82/399380382.db2.gz VIWDXNPRSAPQDB-OAHLLOKOSA-N 1 3 304.434 2.810 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC000106459175 194217609 /nfs/dbraw/zinc/21/76/09/194217609.db2.gz XZTNFNXSPZSGPL-SFHVURJKSA-N 1 3 319.493 2.731 20 0 DFADHO C[N@@H+]1CC[C@@H](NCCc2csc(N3CCCC3)n2)CC1(C)C ZINC000623423297 399385904 /nfs/dbraw/zinc/38/59/04/399385904.db2.gz AVLVTQRMCBVAJE-CQSZACIVSA-N 1 3 322.522 2.748 20 0 DFADHO C[N@H+]1CC[C@@H](NCCc2csc(N3CCCC3)n2)CC1(C)C ZINC000623423297 399385908 /nfs/dbraw/zinc/38/59/08/399385908.db2.gz AVLVTQRMCBVAJE-CQSZACIVSA-N 1 3 322.522 2.748 20 0 DFADHO COc1ccc(C(=O)CC[N@@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000285339637 218388584 /nfs/dbraw/zinc/38/85/84/218388584.db2.gz PDSWLZQYPXPBRZ-INIZCTEOSA-N 1 3 304.434 2.684 20 0 DFADHO COc1ccc(C(=O)CC[N@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000285339637 218388585 /nfs/dbraw/zinc/38/85/85/218388585.db2.gz PDSWLZQYPXPBRZ-INIZCTEOSA-N 1 3 304.434 2.684 20 0 DFADHO [NH3+]C[C@@H]1CN(Cc2cccc(C3CC3)c2)CC12CCOCC2 ZINC000422557626 296311976 /nfs/dbraw/zinc/31/19/76/296311976.db2.gz WTRIOMVRUDYPJI-GOSISDBHSA-N 1 3 300.446 2.751 20 0 DFADHO COCCOc1ccc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000422561264 296312807 /nfs/dbraw/zinc/31/28/07/296312807.db2.gz KFVHNBNJYOOCHX-ZOBUZTSGSA-N 1 3 306.450 2.517 20 0 DFADHO CCC[NH+]1CCC(N[C@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000268853088 207020802 /nfs/dbraw/zinc/02/08/02/207020802.db2.gz CBTFZTCZKNJJOA-KRWDZBQOSA-N 1 3 315.461 2.535 20 0 DFADHO CCC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OC)cc1 ZINC000268858260 207027054 /nfs/dbraw/zinc/02/70/54/207027054.db2.gz RNVAXRBJDNAPAI-SJLPKXTDSA-N 1 3 306.450 2.583 20 0 DFADHO c1[nH]nc2cccc(C[NH2+]CC3CCN(c4ccncc4)CC3)c12 ZINC000623482468 399398798 /nfs/dbraw/zinc/39/87/98/399398798.db2.gz UNIQWRDJQGCKQT-UHFFFAOYSA-N 1 3 321.428 2.964 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cccc(OC)c3)C2)[C@@H](C)C1 ZINC000268880700 207050397 /nfs/dbraw/zinc/05/03/97/207050397.db2.gz WOTKATQJYDLQDX-BXWFABGCSA-N 1 3 317.477 2.594 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3cccc(OC)c3)C2)[C@@H](C)C1 ZINC000268880700 207050398 /nfs/dbraw/zinc/05/03/98/207050398.db2.gz WOTKATQJYDLQDX-BXWFABGCSA-N 1 3 317.477 2.594 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(COC2CCOCC2)c1 ZINC000422703253 296318449 /nfs/dbraw/zinc/31/84/49/296318449.db2.gz HHBCCKIAHAUTJA-HUUCEWRRSA-N 1 3 306.450 2.598 20 0 DFADHO CCCCN(C)CCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422706641 296319336 /nfs/dbraw/zinc/31/93/36/296319336.db2.gz FQLMHVWFMVQQEK-RBUKOAKNSA-N 1 3 319.493 2.810 20 0 DFADHO C[C@H](C[NH2+][C@H](C)[C@H]1CCCCN1)N1CCc2sccc2C1 ZINC000422711311 296320127 /nfs/dbraw/zinc/32/01/27/296320127.db2.gz GWYQWRAUYRUKIO-IIAWOOMASA-N 1 3 307.507 2.615 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCCN1)N1CCc2sccc2C1 ZINC000422711309 296320217 /nfs/dbraw/zinc/32/02/17/296320217.db2.gz GWYQWRAUYRUKIO-DZKIICNBSA-N 1 3 307.507 2.615 20 0 DFADHO C[N@@H+]1CCC[C@H]2CN(CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000268940855 207104438 /nfs/dbraw/zinc/10/44/38/207104438.db2.gz AGRSXTSRTLDIFH-ZWKOTPCHSA-N 1 3 300.446 2.580 20 0 DFADHO C[N@H+]1CCC[C@H]2CN(CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000268940855 207104442 /nfs/dbraw/zinc/10/44/42/207104442.db2.gz AGRSXTSRTLDIFH-ZWKOTPCHSA-N 1 3 300.446 2.580 20 0 DFADHO CN1CCC[C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000268940855 207104446 /nfs/dbraw/zinc/10/44/46/207104446.db2.gz AGRSXTSRTLDIFH-ZWKOTPCHSA-N 1 3 300.446 2.580 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000268940855 207104449 /nfs/dbraw/zinc/10/44/49/207104449.db2.gz AGRSXTSRTLDIFH-ZWKOTPCHSA-N 1 3 300.446 2.580 20 0 DFADHO C[N@@H+]1CCC[C@H]2CN(CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000268940854 207104565 /nfs/dbraw/zinc/10/45/65/207104565.db2.gz AGRSXTSRTLDIFH-ROUUACIJSA-N 1 3 300.446 2.580 20 0 DFADHO C[N@H+]1CCC[C@H]2CN(CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000268940854 207104567 /nfs/dbraw/zinc/10/45/67/207104567.db2.gz AGRSXTSRTLDIFH-ROUUACIJSA-N 1 3 300.446 2.580 20 0 DFADHO CN1CCC[C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000268940854 207104570 /nfs/dbraw/zinc/10/45/70/207104570.db2.gz AGRSXTSRTLDIFH-ROUUACIJSA-N 1 3 300.446 2.580 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000268940854 207104574 /nfs/dbraw/zinc/10/45/74/207104574.db2.gz AGRSXTSRTLDIFH-ROUUACIJSA-N 1 3 300.446 2.580 20 0 DFADHO C[N@@H+]1CC[C@@H](NC[C@@H](CO)c2ccc(Cl)cc2)CC1(C)C ZINC000623525247 399408294 /nfs/dbraw/zinc/40/82/94/399408294.db2.gz CTOPGBUEBVMTQB-GOEBONIOSA-N 1 3 310.869 2.878 20 0 DFADHO C[N@H+]1CC[C@@H](NC[C@@H](CO)c2ccc(Cl)cc2)CC1(C)C ZINC000623525247 399408296 /nfs/dbraw/zinc/40/82/96/399408296.db2.gz CTOPGBUEBVMTQB-GOEBONIOSA-N 1 3 310.869 2.878 20 0 DFADHO Cc1cc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc(N2CCCC2)n1 ZINC000623527993 399408803 /nfs/dbraw/zinc/40/88/03/399408803.db2.gz SIEVRLCQUGKNAS-QGZVFWFLSA-N 1 3 316.493 2.953 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCC(=O)NC1CCCCC1 ZINC000422715495 296320619 /nfs/dbraw/zinc/32/06/19/296320619.db2.gz MIWFVOHQUGJBLV-RDJZCZTQSA-N 1 3 309.498 2.726 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422714456 296320625 /nfs/dbraw/zinc/32/06/25/296320625.db2.gz RARAVYOFGVOOBV-NCXUSEDFSA-N 1 3 319.468 2.939 20 0 DFADHO Fc1ccc(CN2CCC([NH2+][C@H]3CCCNCC3)CC2)cc1 ZINC000422724191 296321686 /nfs/dbraw/zinc/32/16/86/296321686.db2.gz UVICAYGFLJDOJQ-KRWDZBQOSA-N 1 3 305.441 2.522 20 0 DFADHO C[C@H](NC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422724106 296321746 /nfs/dbraw/zinc/32/17/46/296321746.db2.gz ULLVTVUZDQNKPM-KBXCAEBGSA-N 1 3 305.441 2.520 20 0 DFADHO Cc1[nH]c2ccc(CN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])cc2c1C ZINC000422721809 296321880 /nfs/dbraw/zinc/32/18/80/296321880.db2.gz OIXZHEMROUWYJD-OAUYIBNBSA-N 1 3 301.434 2.627 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1ccc(Cl)cc1Cl ZINC000422726302 296322016 /nfs/dbraw/zinc/32/20/16/296322016.db2.gz DKPSQQGEPVWMDH-VZJVUDMVSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422726302 296322017 /nfs/dbraw/zinc/32/20/17/296322017.db2.gz DKPSQQGEPVWMDH-VZJVUDMVSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1ccc(Cl)cc1Cl ZINC000422726301 296322172 /nfs/dbraw/zinc/32/21/72/296322172.db2.gz DKPSQQGEPVWMDH-PSOPSSQASA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422726301 296322174 /nfs/dbraw/zinc/32/21/74/296322174.db2.gz DKPSQQGEPVWMDH-PSOPSSQASA-N 1 3 317.260 2.878 20 0 DFADHO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000602288434 399419261 /nfs/dbraw/zinc/41/92/61/399419261.db2.gz YIZGSVBZHUSEAE-QAPCUYQASA-N 1 3 308.466 2.514 20 0 DFADHO Clc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422727393 296322538 /nfs/dbraw/zinc/32/25/38/296322538.db2.gz CFQFPSAUQQXJRR-YESZJQIVSA-N 1 3 308.853 2.629 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422727818 296322606 /nfs/dbraw/zinc/32/26/06/296322606.db2.gz HZBSUTNMYXAPQI-INDMIFKZSA-N 1 3 319.468 2.939 20 0 DFADHO C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1cnccc1N ZINC000422726634 296322639 /nfs/dbraw/zinc/32/26/39/296322639.db2.gz FQKIZRQVLXBCDI-OAHLLOKOSA-N 1 3 310.445 2.809 20 0 DFADHO C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1cnccc1N ZINC000422726634 296322640 /nfs/dbraw/zinc/32/26/40/296322640.db2.gz FQKIZRQVLXBCDI-OAHLLOKOSA-N 1 3 310.445 2.809 20 0 DFADHO C[C@@H](NC[C@@H](c1ccccc1)N1CCC(C)CC1)C1C[NH2+]C1 ZINC000422730426 296322790 /nfs/dbraw/zinc/32/27/90/296322790.db2.gz DXSASQVKVVUYLZ-APWZRJJASA-N 1 3 301.478 2.657 20 0 DFADHO COc1cccc([C@H](C[NH2+][C@@H]2CCCCC[C@H]2N)N(C)C)c1 ZINC000422733762 296323401 /nfs/dbraw/zinc/32/34/01/296323401.db2.gz ROQHDBSFUISVQL-KURKYZTESA-N 1 3 305.466 2.548 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])N(C)C)c1 ZINC000422733762 296323403 /nfs/dbraw/zinc/32/34/03/296323403.db2.gz ROQHDBSFUISVQL-KURKYZTESA-N 1 3 305.466 2.548 20 0 DFADHO CO[C@@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C(C)C ZINC000269011559 207162824 /nfs/dbraw/zinc/16/28/24/207162824.db2.gz XNQLOJZECYAILT-YJBOKZPZSA-N 1 3 308.466 2.949 20 0 DFADHO CN1CCCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000623656294 399436439 /nfs/dbraw/zinc/43/64/39/399436439.db2.gz RKOSUVDQEJMMEX-ZDUSSCGKSA-N 1 3 304.463 2.960 20 0 DFADHO Cn1cc(-c2ccc(C[NH2+]C[C@H]3CCCCN(C)C3)s2)cn1 ZINC000623656934 399436453 /nfs/dbraw/zinc/43/64/53/399436453.db2.gz FYHDGGYFLDDELZ-CQSZACIVSA-N 1 3 318.490 2.970 20 0 DFADHO CN1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000623656293 399436689 /nfs/dbraw/zinc/43/66/89/399436689.db2.gz RKOSUVDQEJMMEX-CYBMUJFWSA-N 1 3 304.463 2.960 20 0 DFADHO COc1cc(C)c(C[NH2+]C[C@@H]2CCCCN(C)C2)cc1OC ZINC000623656059 399436782 /nfs/dbraw/zinc/43/67/82/399436782.db2.gz MAHBPNFRVYHDEI-HNNXBMFYSA-N 1 3 306.450 2.834 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623656544 399436945 /nfs/dbraw/zinc/43/69/45/399436945.db2.gz WNKPQWDWXVMHEJ-YZGWKJHDSA-N 1 3 315.505 2.828 20 0 DFADHO CCCC[C@@H](C[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269186073 207305972 /nfs/dbraw/zinc/30/59/72/207305972.db2.gz HUBNUBPTPQPCLW-SFHVURJKSA-N 1 3 317.477 2.532 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000422736588 296323824 /nfs/dbraw/zinc/32/38/24/296323824.db2.gz YFKMDXPHCGNALQ-RCBQFDQVSA-N 1 3 310.869 2.960 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC(C)(C)c1ccc(Cl)cc1 ZINC000422736588 296323825 /nfs/dbraw/zinc/32/38/25/296323825.db2.gz YFKMDXPHCGNALQ-RCBQFDQVSA-N 1 3 310.869 2.960 20 0 DFADHO C[C@@H](NC[C@H](c1cccs1)N1CCC(C)CC1)C1C[NH2+]C1 ZINC000422739878 296324601 /nfs/dbraw/zinc/32/46/01/296324601.db2.gz AOKYCPSOVJZCSB-GDBMZVCRSA-N 1 3 307.507 2.719 20 0 DFADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CCCCN1 ZINC000269231789 207355677 /nfs/dbraw/zinc/35/56/77/207355677.db2.gz DEODWGSVRMMTOU-GOSISDBHSA-N 1 3 315.461 2.796 20 0 DFADHO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422750011 296326119 /nfs/dbraw/zinc/32/61/19/296326119.db2.gz BVWDHTIVKDCZKS-HZPDHXFCSA-N 1 3 300.450 2.842 20 0 DFADHO COCc1cc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)ccc1F ZINC000422751748 296326600 /nfs/dbraw/zinc/32/66/00/296326600.db2.gz ACGPAENBVVOULX-LBPRGKRZSA-N 1 3 317.408 2.985 20 0 DFADHO c1nc2ccccc2n1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422754949 296327248 /nfs/dbraw/zinc/32/72/48/296327248.db2.gz GKHHJXKKVVRFAZ-BRWVUGGUSA-N 1 3 312.461 2.937 20 0 DFADHO C[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@H]1CCCCO1 ZINC000623866259 399482637 /nfs/dbraw/zinc/48/26/37/399482637.db2.gz PZQKDIKITHCUSX-MAUKXSAKSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@H]1CCCCO1 ZINC000623866362 399482892 /nfs/dbraw/zinc/48/28/92/399482892.db2.gz SKQORIDIGRNRCS-MAUKXSAKSA-N 1 3 306.450 2.674 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422771104 296330409 /nfs/dbraw/zinc/33/04/09/296330409.db2.gz XQHNWCWJMNJELE-WMLDXEAASA-N 1 3 306.425 2.591 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000422769229 296330025 /nfs/dbraw/zinc/33/00/25/296330025.db2.gz VIWCFEPBUJFJGD-DLBZAZTESA-N 1 3 305.441 2.835 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000422771651 296330161 /nfs/dbraw/zinc/33/01/61/296330161.db2.gz XPIZXRXQIRKQDZ-ZGXWSNOMSA-N 1 3 316.489 2.738 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCn1cnc2ccccc21 ZINC000422781429 296331921 /nfs/dbraw/zinc/33/19/21/296331921.db2.gz KNVXCORZDNVMNV-AWEZNQCLSA-N 1 3 323.444 2.939 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000422781641 296332108 /nfs/dbraw/zinc/33/21/08/296332108.db2.gz LZGZOOMMWYASEP-NZSAHSFTSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000422781641 296332109 /nfs/dbraw/zinc/33/21/09/296332109.db2.gz LZGZOOMMWYASEP-NZSAHSFTSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@H](CCC[NH3+])N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422783611 296332237 /nfs/dbraw/zinc/33/22/37/296332237.db2.gz OMGGGBIAKYAYLS-TZMCWYRMSA-N 1 3 309.841 2.552 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1CCCCO1 ZINC000623907698 399491239 /nfs/dbraw/zinc/49/12/39/399491239.db2.gz BDLNJRNRLYNRPB-CRAIPNDOSA-N 1 3 303.450 2.845 20 0 DFADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cnccc1N ZINC000422786492 296332753 /nfs/dbraw/zinc/33/27/53/296332753.db2.gz OZYIXYYPDKFSCF-OAHLLOKOSA-N 1 3 310.445 2.941 20 0 DFADHO Cc1cc(C)cc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422788656 296332906 /nfs/dbraw/zinc/33/29/06/296332906.db2.gz SODMTKKYBNUUAY-CEXWTWQISA-N 1 3 302.462 2.593 20 0 DFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422787847 296332946 /nfs/dbraw/zinc/33/29/46/296332946.db2.gz AGUCPEFRWKQYMV-BGIURUKPSA-N 1 3 324.415 2.815 20 0 DFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCn1cnc2ccccc21 ZINC000422792595 296333634 /nfs/dbraw/zinc/33/36/34/296333634.db2.gz XHLGELDHCXWPRT-VQIMIIECSA-N 1 3 322.456 2.975 20 0 DFADHO Cc1ccccc1O[C@H](C)CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422796793 296334560 /nfs/dbraw/zinc/33/45/60/296334560.db2.gz ZBDWYFGZUMUACT-XMTFNYHQSA-N 1 3 318.461 2.509 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422795476 296334609 /nfs/dbraw/zinc/33/46/09/296334609.db2.gz VRDCSKMZVNRKGH-GRGSLBFTSA-N 1 3 318.461 2.973 20 0 DFADHO CCN(CC)[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422798723 296335193 /nfs/dbraw/zinc/33/51/93/296335193.db2.gz SNRNFOCBMQLADV-IPELMVKDSA-N 1 3 319.493 2.808 20 0 DFADHO CCN(CC)[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422798725 296335272 /nfs/dbraw/zinc/33/52/72/296335272.db2.gz SNRNFOCBMQLADV-LZQZEXGQSA-N 1 3 319.493 2.808 20 0 DFADHO c1ccc2c(c1)CCN(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422802914 296335859 /nfs/dbraw/zinc/33/58/59/296335859.db2.gz HWWYUDYHIITIGX-ZCNNSNEGSA-N 1 3 313.489 2.555 20 0 DFADHO C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@@H]1CCCCN1 ZINC000422815388 296338190 /nfs/dbraw/zinc/33/81/90/296338190.db2.gz BLTFZXNRLGXBHJ-AEFFLSMTSA-N 1 3 312.461 2.594 20 0 DFADHO COc1ccc([C@H](NCCN2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422809973 296337385 /nfs/dbraw/zinc/33/73/85/296337385.db2.gz MVYFKFQJRKJEOM-OALUTQOASA-N 1 3 317.477 2.564 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422819887 296338964 /nfs/dbraw/zinc/33/89/64/296338964.db2.gz JFYMESKPERIKQT-ZFWWWQNUSA-N 1 3 304.434 2.671 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000422818840 296338968 /nfs/dbraw/zinc/33/89/68/296338968.db2.gz LQROWGMJTVSDAJ-PEDHHIEDSA-N 1 3 308.388 2.697 20 0 DFADHO CC(C)(CN[C@@H]1CCCCC[C@H]1[NH3+])c1ccc2c(c1)OCO2 ZINC000422823648 296339545 /nfs/dbraw/zinc/33/95/45/296339545.db2.gz MBKJONUQPSACKY-HUUCEWRRSA-N 1 3 304.434 2.943 20 0 DFADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000422832444 296341318 /nfs/dbraw/zinc/34/13/18/296341318.db2.gz VBPDDGDJQSJVOV-IRXDYDNUSA-N 1 3 306.413 2.995 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CCC[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000422833769 296341727 /nfs/dbraw/zinc/34/17/27/296341727.db2.gz WNZQQVZVJJYQJG-FHWLQOOXSA-N 1 3 301.478 2.849 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422836182 296341982 /nfs/dbraw/zinc/34/19/82/296341982.db2.gz JKXVQIVCBTXOCT-ZOBUZTSGSA-N 1 3 307.507 2.677 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000422844073 296343312 /nfs/dbraw/zinc/34/33/12/296343312.db2.gz KSRGYZURQOOHPE-QGTPRVQTSA-N 1 3 304.478 2.869 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1ccc(C(C)(C)C)cc1 ZINC000422844073 296343313 /nfs/dbraw/zinc/34/33/13/296343313.db2.gz KSRGYZURQOOHPE-QGTPRVQTSA-N 1 3 304.478 2.869 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422845656 296343658 /nfs/dbraw/zinc/34/36/58/296343658.db2.gz OMMXULMVMZLIBE-SJLPKXTDSA-N 1 3 324.428 2.551 20 0 DFADHO CN(C)Cc1ccccc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000422857041 296345686 /nfs/dbraw/zinc/34/56/86/296345686.db2.gz GMRXMUHQNBICIY-UHFFFAOYSA-N 1 3 317.477 2.790 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000422864188 296346787 /nfs/dbraw/zinc/34/67/87/296346787.db2.gz ULXFGYCXUDFYTQ-NVXWUHKLSA-N 1 3 310.445 2.778 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1ccc(F)cc1C(F)(F)F ZINC000422866268 296347070 /nfs/dbraw/zinc/34/70/70/296347070.db2.gz PZJRHEVIMDKUJM-LBPRGKRZSA-N 1 3 308.319 2.688 20 0 DFADHO CSCc1cc(F)ccc1CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422860648 296346341 /nfs/dbraw/zinc/34/63/41/296346341.db2.gz INKWCTXJQSNKRZ-KNXALSJPSA-N 1 3 312.454 2.531 20 0 DFADHO Cc1cc(C)n(-c2ccc(CCN[C@@H](C)[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000422867671 296347366 /nfs/dbraw/zinc/34/73/66/296347366.db2.gz STXYMACRUAWEBG-FUHWJXTLSA-N 1 3 312.461 2.619 20 0 DFADHO CCCC(=O)Nc1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422879466 296349296 /nfs/dbraw/zinc/34/92/96/296349296.db2.gz KOITUKGYGKUOCI-PBHICJAKSA-N 1 3 303.450 2.903 20 0 DFADHO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H](C)C2CNC2)C1 ZINC000422881603 296349921 /nfs/dbraw/zinc/34/99/21/296349921.db2.gz QQPWVPVKWHWEST-ZIAGYGMSSA-N 1 3 307.869 2.672 20 0 DFADHO Clc1ccccc1CN1CCC(CN[C@@H]2CC[NH2+]C2)CC1 ZINC000422882239 296349924 /nfs/dbraw/zinc/34/99/24/296349924.db2.gz RPPGZYKDYYQYJY-MRXNPFEDSA-N 1 3 307.869 2.504 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCN1[C@@H](C)CCC[C@@H]1C ZINC000422883129 296350003 /nfs/dbraw/zinc/35/00/03/296350003.db2.gz BQTDQQDTRLNGIA-DWRORGKVSA-N 1 3 303.494 2.797 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1ccc(OC)cc1C(F)(F)F ZINC000422883270 296350134 /nfs/dbraw/zinc/35/01/34/296350134.db2.gz UOVYFGQWGBBARG-LBPRGKRZSA-N 1 3 320.355 2.558 20 0 DFADHO Cc1ccccc1C1(CN[C@@H](C)[C@H]2CC[NH2+]C2)CCOCC1 ZINC000422883346 296350189 /nfs/dbraw/zinc/35/01/89/296350189.db2.gz UULKZCDPWLLFGP-IRXDYDNUSA-N 1 3 302.462 2.631 20 0 DFADHO FC(F)(F)Oc1ccc(CCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000422887914 296350823 /nfs/dbraw/zinc/35/08/23/296350823.db2.gz BROMFDAWZJSRHL-CYBMUJFWSA-N 1 3 302.340 2.859 20 0 DFADHO FC(F)(F)Oc1ccc(CC[NH2+][C@@H]2CCCNCC2)cc1 ZINC000422887914 296350825 /nfs/dbraw/zinc/35/08/25/296350825.db2.gz BROMFDAWZJSRHL-CYBMUJFWSA-N 1 3 302.340 2.859 20 0 DFADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422902726 296353391 /nfs/dbraw/zinc/35/33/91/296353391.db2.gz VEHVZEKNTQKYSW-DLBZAZTESA-N 1 3 302.466 2.822 20 0 DFADHO COc1ccc(COCCC[NH2+][C@H]2CCNCC[C@H]2C)cc1 ZINC000422902138 296353513 /nfs/dbraw/zinc/35/35/13/296353513.db2.gz DCTHUFCLYCUIRY-QAPCUYQASA-N 1 3 306.450 2.580 20 0 DFADHO CCc1nc(CCN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cs1 ZINC000422897629 296352399 /nfs/dbraw/zinc/35/23/99/296352399.db2.gz CJUOCQDFCXSPIF-CJNGLKHVSA-N 1 3 303.475 2.796 20 0 DFADHO N[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000422897706 296352467 /nfs/dbraw/zinc/35/24/67/296352467.db2.gz KERTYIJJAOQYPX-VQTJNVASSA-N 1 3 322.456 2.780 20 0 DFADHO [NH3+][C@H]1C[C@@H](NC2CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000422897706 296352468 /nfs/dbraw/zinc/35/24/68/296352468.db2.gz KERTYIJJAOQYPX-VQTJNVASSA-N 1 3 322.456 2.780 20 0 DFADHO Fc1cccc(F)c1CN1CCC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000422906520 296354365 /nfs/dbraw/zinc/35/43/65/296354365.db2.gz KBIWJFYWRNJNLR-GJZGRUSLSA-N 1 3 323.431 2.661 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422909706 296354533 /nfs/dbraw/zinc/35/45/33/296354533.db2.gz OUIYMDYOHIZJQA-VHDGCEQUSA-N 1 3 323.868 2.644 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000422909706 296354534 /nfs/dbraw/zinc/35/45/34/296354534.db2.gz OUIYMDYOHIZJQA-VHDGCEQUSA-N 1 3 323.868 2.644 20 0 DFADHO C[C@@H](NCCc1nc2ccccc2n1C(F)F)[C@H]1CC[NH2+]C1 ZINC000422910023 296354635 /nfs/dbraw/zinc/35/46/35/296354635.db2.gz HGJXHXQEKPAYOR-NEPJUHHUSA-N 1 3 308.376 2.562 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422910856 296354997 /nfs/dbraw/zinc/35/49/97/296354997.db2.gz RPWXUGRYWZDVND-MJBXVCDLSA-N 1 3 311.420 2.645 20 0 DFADHO C[C@H](C[C@H](C)N)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422910856 296354998 /nfs/dbraw/zinc/35/49/98/296354998.db2.gz RPWXUGRYWZDVND-MJBXVCDLSA-N 1 3 311.420 2.645 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930518 296356743 /nfs/dbraw/zinc/35/67/43/296356743.db2.gz USTHSOMEOXYUJH-WFASDCNBSA-N 1 3 324.852 2.631 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930518 296356744 /nfs/dbraw/zinc/35/67/44/296356744.db2.gz USTHSOMEOXYUJH-WFASDCNBSA-N 1 3 324.852 2.631 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ccc(Cl)cn1 ZINC000422931029 296356983 /nfs/dbraw/zinc/35/69/83/296356983.db2.gz WQLSXHXPFGOUBG-NSHDSACASA-N 1 3 320.824 2.627 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCOc1ccc(C(C)(C)C)cc1 ZINC000422929769 296356991 /nfs/dbraw/zinc/35/69/91/296356991.db2.gz RMKUMOOUCFHVTB-BMGDILEWSA-N 1 3 320.477 2.705 20 0 DFADHO CC[C@@H]([NH2+]CCOc1cccc(NC(C)=O)c1)[C@H]1CCCCN1 ZINC000422936809 296358078 /nfs/dbraw/zinc/35/80/78/296358078.db2.gz BYWDVUJQANOGSJ-QZTJIDSGSA-N 1 3 319.449 2.534 20 0 DFADHO FC(F)(F)c1ccc(OCCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000422939701 296358291 /nfs/dbraw/zinc/35/82/91/296358291.db2.gz IEQBRMSVOKAGPR-CYBMUJFWSA-N 1 3 302.340 2.816 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422934298 296357731 /nfs/dbraw/zinc/35/77/31/296357731.db2.gz CIRTVVRIVWKJDF-STQMWFEESA-N 1 3 318.490 2.981 20 0 DFADHO CCCCNC(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000422946663 296359328 /nfs/dbraw/zinc/35/93/28/296359328.db2.gz XAEYGXJHOXKWEQ-MSOLQXFVSA-N 1 3 317.477 2.966 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ccc(F)c(F)c1 ZINC000422956789 296360669 /nfs/dbraw/zinc/36/06/69/296360669.db2.gz LYUMUOYCXYFMGJ-LLVKDONJSA-N 1 3 321.371 2.857 20 0 DFADHO CC(C)c1ccccc1OCCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422955564 296360672 /nfs/dbraw/zinc/36/06/72/296360672.db2.gz JNYLCQBKVLDQOO-HYVNUMGLSA-N 1 3 306.450 2.531 20 0 DFADHO Fc1ccc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000422951987 296360065 /nfs/dbraw/zinc/36/00/65/296360065.db2.gz BDZDBENILMQXAA-XYPHTWIQSA-N 1 3 310.388 2.854 20 0 DFADHO CC[C@@H](NCCCN(C(=O)C1CCC1)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000422954191 296360287 /nfs/dbraw/zinc/36/02/87/296360287.db2.gz HFODINYLCUMVEG-MSOLQXFVSA-N 1 3 321.509 2.678 20 0 DFADHO CCN(CC)C(=O)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000422954377 296360410 /nfs/dbraw/zinc/36/04/10/296360410.db2.gz HLSLRGQHYOICMO-GVDBMIGSSA-N 1 3 309.498 2.535 20 0 DFADHO Cc1noc(C)c1[C@H](C)CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422962025 296361276 /nfs/dbraw/zinc/36/12/76/296361276.db2.gz BRUPZQMFVGSTOH-IGCXYCKISA-N 1 3 301.434 2.943 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000422963137 296361707 /nfs/dbraw/zinc/36/17/07/296361707.db2.gz HQAVAGGODPSRMF-ULQDDVLXSA-N 1 3 305.466 2.914 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000422962625 296361810 /nfs/dbraw/zinc/36/18/10/296361810.db2.gz CXNLHWFNPGAYPP-NJAFHUGGSA-N 1 3 304.478 2.766 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000422962625 296361811 /nfs/dbraw/zinc/36/18/11/296361811.db2.gz CXNLHWFNPGAYPP-NJAFHUGGSA-N 1 3 304.478 2.766 20 0 DFADHO CC[C@H](NC1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422965576 296361872 /nfs/dbraw/zinc/36/18/72/296361872.db2.gz LQVJKEASWPMXEH-SNRMKQJTSA-N 1 3 316.493 2.727 20 0 DFADHO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc3c(c2)CNC3)c1 ZINC000347538753 285073212 /nfs/dbraw/zinc/07/32/12/285073212.db2.gz RXVDWNMBBUMBCM-UHFFFAOYSA-N 1 3 309.413 2.912 20 0 DFADHO CC[C@@H](NC1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422965573 296362149 /nfs/dbraw/zinc/36/21/49/296362149.db2.gz LQVJKEASWPMXEH-IPELMVKDSA-N 1 3 316.493 2.727 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccc(NCCOC)cc1)[C@@H]1CCCCN1 ZINC000422971292 296362881 /nfs/dbraw/zinc/36/28/81/296362881.db2.gz YBVZWPFALNWTCE-MSOLQXFVSA-N 1 3 305.466 2.755 20 0 DFADHO CC(C)(CO)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422970738 296363049 /nfs/dbraw/zinc/36/30/49/296363049.db2.gz WUCKICKOBUMJPR-WFFDWFOESA-N 1 3 302.462 2.661 20 0 DFADHO c1cn(-c2ccccc2CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000422966994 296362417 /nfs/dbraw/zinc/36/24/17/296362417.db2.gz OMDQITZBSWOJEJ-RCCFBDPRSA-N 1 3 310.445 2.883 20 0 DFADHO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000422987759 296364187 /nfs/dbraw/zinc/36/41/87/296364187.db2.gz HJSDTIHRQFLRLN-BVBHFADKSA-N 1 3 301.478 2.798 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422985746 296364201 /nfs/dbraw/zinc/36/42/01/296364201.db2.gz ADUAIWAYUWRQFR-OUCADQQQSA-N 1 3 318.383 2.572 20 0 DFADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422985746 296364202 /nfs/dbraw/zinc/36/42/02/296364202.db2.gz ADUAIWAYUWRQFR-OUCADQQQSA-N 1 3 318.383 2.572 20 0 DFADHO CC(C)N1CCC([NH2+][C@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000422996740 296365196 /nfs/dbraw/zinc/36/51/96/296365196.db2.gz UFUPWSBGGRRKDN-OALUTQOASA-N 1 3 301.478 2.942 20 0 DFADHO Cc1cc(C[C@H](C)N[C@H]2CCC[NH2+]CC2)n(-c2ccccc2)n1 ZINC000422994502 296364947 /nfs/dbraw/zinc/36/49/47/296364947.db2.gz HXFXWLPZOXXZFX-RDJZCZTQSA-N 1 3 312.461 2.843 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994771 296364973 /nfs/dbraw/zinc/36/49/73/296364973.db2.gz WDVPZWBODWCLCO-AVGNSLFASA-N 1 3 318.383 2.572 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994771 296364974 /nfs/dbraw/zinc/36/49/74/296364974.db2.gz WDVPZWBODWCLCO-AVGNSLFASA-N 1 3 318.383 2.572 20 0 DFADHO COc1cccc(COCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423002822 296365898 /nfs/dbraw/zinc/36/58/98/296365898.db2.gz JXTNMBLYMKOZPK-QRVBRYPASA-N 1 3 318.461 2.722 20 0 DFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(CCO)CCCCC1 ZINC000423001537 296365986 /nfs/dbraw/zinc/36/59/86/296365986.db2.gz DVJAYUCWECDAKK-SJLPKXTDSA-N 1 3 304.478 2.867 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(COCC(F)(F)F)c1 ZINC000423005342 296366334 /nfs/dbraw/zinc/36/63/34/296366334.db2.gz RNPPSIHZAQMVCH-GJZGRUSLSA-N 1 3 316.367 2.983 20 0 DFADHO CC[C@@H]([NH2+]CCNc1cc(OC)cc(OC)c1)[C@H]1CCCCN1 ZINC000423007479 296366475 /nfs/dbraw/zinc/36/64/75/296366475.db2.gz XUEGRKNOCNKROV-QZTJIDSGSA-N 1 3 321.465 2.626 20 0 DFADHO Cc1cn2c(n1)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423005735 296366872 /nfs/dbraw/zinc/36/68/72/296366872.db2.gz NDCBBALCTHGEJZ-MWDXBVQZSA-N 1 3 302.466 2.579 20 0 DFADHO C[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])c1nc(-c2ccccc2)no1 ZINC000423014038 296367699 /nfs/dbraw/zinc/36/76/99/296367699.db2.gz NXDUQVMZOBXECP-VNQPRFMTSA-N 1 3 314.433 2.947 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)c1nc(-c2ccccc2)no1 ZINC000423014038 296367700 /nfs/dbraw/zinc/36/77/00/296367700.db2.gz NXDUQVMZOBXECP-VNQPRFMTSA-N 1 3 314.433 2.947 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000423014873 296367809 /nfs/dbraw/zinc/36/78/09/296367809.db2.gz PZEIKWGGXFHQRD-NEPJUHHUSA-N 1 3 317.355 2.586 20 0 DFADHO C[C@@H](Cc1cc(Br)ccc1F)N[C@@H](C)C1C[NH2+]C1 ZINC000423013483 296367891 /nfs/dbraw/zinc/36/78/91/296367891.db2.gz MXCVVZBPAGGSCT-UWVGGRQHSA-N 1 3 315.230 2.717 20 0 DFADHO C[C@@H](Cc1cc(Br)ccc1F)[NH2+][C@@H](C)C1CNC1 ZINC000423013483 296367892 /nfs/dbraw/zinc/36/78/92/296367892.db2.gz MXCVVZBPAGGSCT-UWVGGRQHSA-N 1 3 315.230 2.717 20 0 DFADHO CC[C@H](CSC)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423019173 296368334 /nfs/dbraw/zinc/36/83/34/296368334.db2.gz UICKGAAAITZEDN-UKPHBRMFSA-N 1 3 306.475 2.974 20 0 DFADHO COc1ccc(OC)c(CCC[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000423018795 296368568 /nfs/dbraw/zinc/36/85/68/296368568.db2.gz ZTRJGFJGNWQLND-NVXWUHKLSA-N 1 3 306.450 2.744 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H](C)[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000423029172 296369506 /nfs/dbraw/zinc/36/95/06/296369506.db2.gz RUSZUPAWYRBYJR-LPHOPBHVSA-N 1 3 316.493 2.769 20 0 DFADHO COc1ccccc1OC[C@@H](C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423029795 296369514 /nfs/dbraw/zinc/36/95/14/296369514.db2.gz VPLJTBJZNOUMPN-LSVZVQIISA-N 1 3 304.434 2.583 20 0 DFADHO COCC[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000423028566 296369525 /nfs/dbraw/zinc/36/95/25/296369525.db2.gz GSEDGPRVBQPQPB-FSPWUOQZSA-N 1 3 300.402 2.962 20 0 DFADHO CCC[N@H+](C)CC(C)(C)NC(=O)c1cccc(CN(C)C)c1 ZINC000620623615 399546246 /nfs/dbraw/zinc/54/62/46/399546246.db2.gz BOTSNAKHNLHZSU-UHFFFAOYSA-N 1 3 305.466 2.598 20 0 DFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cccc(CN(C)C)c1 ZINC000620623615 399546247 /nfs/dbraw/zinc/54/62/47/399546247.db2.gz BOTSNAKHNLHZSU-UHFFFAOYSA-N 1 3 305.466 2.598 20 0 DFADHO N[C@H]1CCC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423046012 296371580 /nfs/dbraw/zinc/37/15/80/296371580.db2.gz DTTRQEDXZMZAFN-GXTWGEPZSA-N 1 3 308.223 2.900 20 0 DFADHO COc1ccc2c(c1)CCC[C@@H]2CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423046895 296371817 /nfs/dbraw/zinc/37/18/17/296371817.db2.gz GGPJLKIHGHOSTQ-VPSFDDGASA-N 1 3 300.446 2.988 20 0 DFADHO CCC(CC)(CN[C@H](C)C1C[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000423055737 296372746 /nfs/dbraw/zinc/37/27/46/296372746.db2.gz WYQKFTUQLAAMBH-CQSZACIVSA-N 1 3 320.477 2.959 20 0 DFADHO CCC(CC)(C[NH2+][C@H](C)C1CNC1)c1ccc(OC)c(OC)c1 ZINC000423055737 296372748 /nfs/dbraw/zinc/37/27/48/296372748.db2.gz WYQKFTUQLAAMBH-CQSZACIVSA-N 1 3 320.477 2.959 20 0 DFADHO CN1C[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)Cc2ccccc21 ZINC000423059895 296373454 /nfs/dbraw/zinc/37/34/54/296373454.db2.gz NBWFVOUHYAYDGW-GDAAHCPNSA-N 1 3 313.489 2.805 20 0 DFADHO CN1C[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)Cc2ccccc21 ZINC000423059894 296373482 /nfs/dbraw/zinc/37/34/82/296373482.db2.gz NBWFVOUHYAYDGW-DSLXNQLJSA-N 1 3 313.489 2.805 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000423061126 296373615 /nfs/dbraw/zinc/37/36/15/296373615.db2.gz QFMXPGYROXZLHY-DZRGKWQISA-N 1 3 302.462 2.740 20 0 DFADHO Cc1ccccc1C[C@H](CO)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423058461 296373004 /nfs/dbraw/zinc/37/30/04/296373004.db2.gz JNDYMDYURJRFJI-YSTOQKLRSA-N 1 3 316.489 2.799 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000423069053 296374537 /nfs/dbraw/zinc/37/45/37/296374537.db2.gz CYCLVMRPXVGFOU-FZKQIMNGSA-N 1 3 305.466 2.831 20 0 DFADHO Cc1ccccc1[C@@H]([C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000423064660 296374148 /nfs/dbraw/zinc/37/41/48/296374148.db2.gz ZKEMFHJTAMWDQR-RDCJPKHASA-N 1 3 301.478 2.859 20 0 DFADHO CCOC[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000423074494 296375175 /nfs/dbraw/zinc/37/51/75/296375175.db2.gz UVGOMFUMWIAKDE-LNLFQRSKSA-N 1 3 318.461 2.893 20 0 DFADHO CO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C(F)(F)F ZINC000423073656 296375346 /nfs/dbraw/zinc/37/53/46/296375346.db2.gz ROZYIHWYBUWCLL-AAVRWANBSA-N 1 3 308.388 2.854 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCCN1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000624101210 399553871 /nfs/dbraw/zinc/55/38/71/399553871.db2.gz QOFXJAMPHBLNSU-BHIYHBOVSA-N 1 3 301.478 2.581 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423080018 296375983 /nfs/dbraw/zinc/37/59/83/296375983.db2.gz ZDOFTFQUQLJUJT-GDAAHCPNSA-N 1 3 320.452 2.616 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423080018 296375984 /nfs/dbraw/zinc/37/59/84/296375984.db2.gz ZDOFTFQUQLJUJT-GDAAHCPNSA-N 1 3 320.452 2.616 20 0 DFADHO COCCC[C@@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423087191 296376701 /nfs/dbraw/zinc/37/67/01/296376701.db2.gz OZAUHTLSYBKSJM-HTUJPFKRSA-N 1 3 302.462 2.897 20 0 DFADHO CSC1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423088903 296377062 /nfs/dbraw/zinc/37/70/62/296377062.db2.gz RFIFBKYUUZGZIG-ZBFHGGJFSA-N 1 3 304.459 2.728 20 0 DFADHO FC(F)(F)COc1cccc(CC[NH2+]C2CCNCC2)c1 ZINC000423096088 296377950 /nfs/dbraw/zinc/37/79/50/296377950.db2.gz OAKCWGSSZWFBAL-UHFFFAOYSA-N 1 3 302.340 2.512 20 0 DFADHO FC(F)(F)COc1cccc(CCNC2CC[NH2+]CC2)c1 ZINC000423096088 296377951 /nfs/dbraw/zinc/37/79/51/296377951.db2.gz OAKCWGSSZWFBAL-UHFFFAOYSA-N 1 3 302.340 2.512 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1OC ZINC000624119542 399558991 /nfs/dbraw/zinc/55/89/91/399558991.db2.gz DSWHZQHYTZPDTI-DOTOQJQBSA-N 1 3 320.477 2.956 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000624121054 399560172 /nfs/dbraw/zinc/56/01/72/399560172.db2.gz MTGIQYVHBLWCGH-CABCVRRESA-N 1 3 315.461 2.954 20 0 DFADHO COc1cccc(OC(F)(F)F)c1CN[C@@H](C)CCC[NH3+] ZINC000423113517 296379989 /nfs/dbraw/zinc/37/99/89/296379989.db2.gz UKXJLCFIGVXFRD-JTQLQIEISA-N 1 3 306.328 2.811 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000624124154 399562458 /nfs/dbraw/zinc/56/24/58/399562458.db2.gz YPOHPLVPXZGGKJ-STQMWFEESA-N 1 3 303.406 2.916 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@H](C)[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000423131880 296382323 /nfs/dbraw/zinc/38/23/23/296382323.db2.gz TVOFSMKCJRLXRM-AYBZRNKSSA-N 1 3 319.493 2.664 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](CO)C1CCCCC1 ZINC000423129541 296381833 /nfs/dbraw/zinc/38/18/33/296381833.db2.gz FFMCFMZQKXDJQX-KFKAGJAMSA-N 1 3 304.478 2.723 20 0 DFADHO COc1ccc(CCN[C@H](C)C[C@H](C)[NH3+])c(Cl)c1OC ZINC000423129186 296381919 /nfs/dbraw/zinc/38/19/19/296381919.db2.gz DZNGJLIQVAOXCO-WDEREUQCSA-N 1 3 300.830 2.615 20 0 DFADHO COc1ccc(CC[NH2+][C@H](C)C[C@H](C)N)c(Cl)c1OC ZINC000423129186 296381921 /nfs/dbraw/zinc/38/19/21/296381921.db2.gz DZNGJLIQVAOXCO-WDEREUQCSA-N 1 3 300.830 2.615 20 0 DFADHO COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2CN)c(Cl)c1OC ZINC000423133582 296382532 /nfs/dbraw/zinc/38/25/32/296382532.db2.gz KZKOPUKTUNUZSU-OLZOCXBDSA-N 1 3 312.841 2.617 20 0 DFADHO COc1ccc(CCN[C@H]2CCC[C@@H]2C[NH3+])c(Cl)c1OC ZINC000423133582 296382534 /nfs/dbraw/zinc/38/25/34/296382534.db2.gz KZKOPUKTUNUZSU-OLZOCXBDSA-N 1 3 312.841 2.617 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1cccc(C(F)(F)F)n1 ZINC000423134392 296382685 /nfs/dbraw/zinc/38/26/85/296382685.db2.gz RSKOHLQJNIFSPQ-WCQYABFASA-N 1 3 301.356 2.621 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423133374 296382754 /nfs/dbraw/zinc/38/27/54/296382754.db2.gz KDQJAOZTPHVPNO-HOCLYGCPSA-N 1 3 320.506 2.771 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1cnc(SC2CCCC2)nc1 ZINC000423133374 296382756 /nfs/dbraw/zinc/38/27/56/296382756.db2.gz KDQJAOZTPHVPNO-HOCLYGCPSA-N 1 3 320.506 2.771 20 0 DFADHO CC(C)Cc1ccc([C@@H](CNC2CC[NH2+]CC2)N(C)C)cc1 ZINC000423135941 296383142 /nfs/dbraw/zinc/38/31/42/296383142.db2.gz YKRJQJIOTUHBNO-LJQANCHMSA-N 1 3 303.494 2.829 20 0 DFADHO CC(C)Cc1ccc([C@H](CN[C@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000423136790 296383148 /nfs/dbraw/zinc/38/31/48/296383148.db2.gz ZLILBXDAUICZMH-QYZOEREBSA-N 1 3 303.494 2.957 20 0 DFADHO CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2N)N(C)C)cc1 ZINC000423136790 296383149 /nfs/dbraw/zinc/38/31/49/296383149.db2.gz ZLILBXDAUICZMH-QYZOEREBSA-N 1 3 303.494 2.957 20 0 DFADHO c1ccc([C@@H]2C[C@H]2CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423136959 296383194 /nfs/dbraw/zinc/38/31/94/296383194.db2.gz QESGSDPEBKQQPJ-QXCZDIPSSA-N 1 3 300.446 2.537 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000423156030 296386201 /nfs/dbraw/zinc/38/62/01/296386201.db2.gz RORCIZWZKDTCFA-DHSIGJKJSA-N 1 3 305.466 2.951 20 0 DFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000617009084 399568963 /nfs/dbraw/zinc/56/89/63/399568963.db2.gz RXLIVBNIKCZMFY-IAGOWNOFSA-N 1 3 321.509 2.773 20 0 DFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000617009084 399568966 /nfs/dbraw/zinc/56/89/66/399568966.db2.gz RXLIVBNIKCZMFY-IAGOWNOFSA-N 1 3 321.509 2.773 20 0 DFADHO CC(C)(O)C(C)(C)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423162468 296387020 /nfs/dbraw/zinc/38/70/20/296387020.db2.gz PIWPIVNCEWIGOT-HNAYVOBHSA-N 1 3 318.461 2.629 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)C1(O)CCCC1 ZINC000423168332 296387194 /nfs/dbraw/zinc/38/71/94/296387194.db2.gz UJWMTEXSBJXGJW-DOTOQJQBSA-N 1 3 304.478 2.866 20 0 DFADHO Cc1cccnc1CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423159306 296386444 /nfs/dbraw/zinc/38/64/44/296386444.db2.gz XUJAOGZNRFPHSO-ICSRJNTNSA-N 1 3 323.440 2.778 20 0 DFADHO C[NH+]1CCC(CCNCc2cncc(Br)c2)CC1 ZINC000157884406 197223987 /nfs/dbraw/zinc/22/39/87/197223987.db2.gz MJXOROBADRXGKR-UHFFFAOYSA-N 1 3 312.255 2.666 20 0 DFADHO CC(=O)NCCc1ccc([C@H](C)[NH2+]CC2(N)CCCCC2)cc1 ZINC000423184423 296389824 /nfs/dbraw/zinc/38/98/24/296389824.db2.gz SYFCMIBCFUSJLH-HNNXBMFYSA-N 1 3 317.477 2.677 20 0 DFADHO Cc1ccc([C@H](NCCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423193025 296390769 /nfs/dbraw/zinc/39/07/69/296390769.db2.gz WGEFBTFSXHNCSG-OAQYLSRUSA-N 1 3 323.484 2.969 20 0 DFADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OCCN(C)C)cc1 ZINC000423212843 296393043 /nfs/dbraw/zinc/39/30/43/296393043.db2.gz KFVXJSGFKNNUPU-QTXGHNMQSA-N 1 3 317.477 2.561 20 0 DFADHO C[C@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)[C@@H]1CCCNC1 ZINC000423222039 296394088 /nfs/dbraw/zinc/39/40/88/296394088.db2.gz ZHSVJOHPUHYIRR-UONOGXRCSA-N 1 3 323.431 2.911 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423226121 296394472 /nfs/dbraw/zinc/39/44/72/296394472.db2.gz PMSCPBOFSGMRHL-KBPBESRZSA-N 1 3 306.454 2.948 20 0 DFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000620763820 399586401 /nfs/dbraw/zinc/58/64/01/399586401.db2.gz OJZYCJSZQRABFJ-MRXNPFEDSA-N 1 3 318.465 2.600 20 0 DFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000620763820 399586404 /nfs/dbraw/zinc/58/64/04/399586404.db2.gz OJZYCJSZQRABFJ-MRXNPFEDSA-N 1 3 318.465 2.600 20 0 DFADHO COC(=O)CCCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156962651 197152999 /nfs/dbraw/zinc/15/29/99/197152999.db2.gz JJOILZMNCOXNSQ-SJLPKXTDSA-N 1 3 318.461 2.925 20 0 DFADHO COC(=O)CCCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156962651 197153001 /nfs/dbraw/zinc/15/30/01/197153001.db2.gz JJOILZMNCOXNSQ-SJLPKXTDSA-N 1 3 318.461 2.925 20 0 DFADHO COCCOc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423263555 296398140 /nfs/dbraw/zinc/39/81/40/296398140.db2.gz BAHCYHQDEVTVCZ-YXJHDRRASA-N 1 3 306.450 2.880 20 0 DFADHO Cn1cc([C@@H](NCC[C@H]2CCC[NH2+]C2)c2cccc(F)c2)cn1 ZINC000423256757 296397472 /nfs/dbraw/zinc/39/74/72/296397472.db2.gz FWBWMCSQBQCAML-KDOFPFPSSA-N 1 3 316.424 2.628 20 0 DFADHO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000423273961 296399460 /nfs/dbraw/zinc/39/94/60/296399460.db2.gz LGGHNNOFDIOFGK-JDFRZJQESA-N 1 3 316.449 2.749 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423273422 296399471 /nfs/dbraw/zinc/39/94/71/296399471.db2.gz KQHGQNRSCMYTNA-CJNGLKHVSA-N 1 3 306.454 2.850 20 0 DFADHO CC(C)CC[C@@H]1CCC[C@@H]1NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629406044 399595094 /nfs/dbraw/zinc/59/50/94/399595094.db2.gz UFWOWCJYVYGZIR-XIRDDKMYSA-N 1 3 305.470 2.507 20 0 DFADHO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000423273963 296399609 /nfs/dbraw/zinc/39/96/09/296399609.db2.gz LGGHNNOFDIOFGK-QEORTHHSSA-N 1 3 316.449 2.749 20 0 DFADHO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cccc(OCCN(C)C)c1 ZINC000624221465 399602247 /nfs/dbraw/zinc/60/22/47/399602247.db2.gz APWSIIAWIGWJCD-FNHZYXHNSA-N 1 3 318.461 2.845 20 0 DFADHO C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624221465 399602250 /nfs/dbraw/zinc/60/22/50/399602250.db2.gz APWSIIAWIGWJCD-FNHZYXHNSA-N 1 3 318.461 2.845 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CCCNC2)C1 ZINC000423347507 296406901 /nfs/dbraw/zinc/40/69/01/296406901.db2.gz RLPZTYRQRQJSOX-JZXOWHBKSA-N 1 3 310.482 2.868 20 0 DFADHO CC(C)N1CCN(CCC[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC000625653464 399605867 /nfs/dbraw/zinc/60/58/67/399605867.db2.gz KPBLGWFJEKMRES-HOTGVXAUSA-N 1 3 317.468 2.626 20 0 DFADHO c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc2c1CNC2 ZINC000423405651 296412989 /nfs/dbraw/zinc/41/29/89/296412989.db2.gz YFRQNGDREHFRTL-YTQUADARSA-N 1 3 300.446 2.975 20 0 DFADHO C[C@@H](NC(=O)C(C)(C)[C@@H](N)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000423446576 296417259 /nfs/dbraw/zinc/41/72/59/296417259.db2.gz SQMPREFWZIIZNO-ZBFHGGJFSA-N 1 3 319.493 2.805 20 0 DFADHO COC[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)c1cccc(Cl)c1F ZINC000423493136 296421902 /nfs/dbraw/zinc/42/19/02/296421902.db2.gz AVWPGKNAMNDFJX-SUNKGSAMSA-N 1 3 300.805 2.884 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000271603262 209051616 /nfs/dbraw/zinc/05/16/16/209051616.db2.gz ZUWBXNKARRQMAU-HLLBOEOZSA-N 1 3 306.450 2.845 20 0 DFADHO COCCOCc1ccc(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000289528919 221043383 /nfs/dbraw/zinc/04/33/83/221043383.db2.gz BSPPRZQWJPBEBF-OALUTQOASA-N 1 3 320.477 2.812 20 0 DFADHO COCCOCc1ccc(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000289528926 221043392 /nfs/dbraw/zinc/04/33/92/221043392.db2.gz BSPPRZQWJPBEBF-RBUKOAKNSA-N 1 3 320.477 2.812 20 0 DFADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000629512474 399629606 /nfs/dbraw/zinc/62/96/06/399629606.db2.gz AMJRPVGJSLCKIU-QQXKLLMISA-N 1 3 314.473 2.925 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629512924 399630338 /nfs/dbraw/zinc/63/03/38/399630338.db2.gz CZOGNTZJCADSGI-IEAZIUSSSA-N 1 3 324.852 2.545 20 0 DFADHO C[C@H](CCCO)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000294879023 224281446 /nfs/dbraw/zinc/28/14/46/224281446.db2.gz VKFSTEIEUZWLFY-GSEOLPGOSA-N 1 3 316.489 2.895 20 0 DFADHO NC1(C[NH2+][C@H](C[C@H]2CCCO2)c2ccc(F)cc2)CCOCC1 ZINC000629519887 399633719 /nfs/dbraw/zinc/63/37/19/399633719.db2.gz IMRUVGJGBRNCHH-IAGOWNOFSA-N 1 3 322.424 2.533 20 0 DFADHO COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000289891817 221295148 /nfs/dbraw/zinc/29/51/48/221295148.db2.gz WKGRUSZROMFYFJ-XYPWUTKMSA-N 1 3 304.434 2.761 20 0 DFADHO COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000289891817 221295152 /nfs/dbraw/zinc/29/51/52/221295152.db2.gz WKGRUSZROMFYFJ-XYPWUTKMSA-N 1 3 304.434 2.761 20 0 DFADHO C[NH2+]CCOCCN[C@@H](c1ccccc1OC)C1CCCC1 ZINC000629529860 399637563 /nfs/dbraw/zinc/63/75/63/399637563.db2.gz ORXVMIFLJWJMHW-GOSISDBHSA-N 1 3 306.450 2.752 20 0 DFADHO C[NH2+]CCOCCN[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000629529968 399637653 /nfs/dbraw/zinc/63/76/53/399637653.db2.gz RRUIAXGZZRNRSK-IBGZPJMESA-N 1 3 314.429 2.610 20 0 DFADHO C[NH2+]CCOCCN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000629530205 399637315 /nfs/dbraw/zinc/63/73/15/399637315.db2.gz ZIDYRSQDJYEGRS-HNNXBMFYSA-N 1 3 316.367 2.982 20 0 DFADHO [NH3+]CCCOCCN[C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000629534456 399638705 /nfs/dbraw/zinc/63/87/05/399638705.db2.gz AIWVTHQTKPVDFB-GOSISDBHSA-N 1 3 318.461 2.734 20 0 DFADHO Cc1cc([C@H](C)NCCOCCC[NH3+])sc1Br ZINC000629537414 399640439 /nfs/dbraw/zinc/64/04/39/399640439.db2.gz JAHQPCNOYIDILA-JTQLQIEISA-N 1 3 321.284 2.835 20 0 DFADHO [NH3+]CCCOCCN[C@H]1CCSc2ccc(Cl)cc21 ZINC000629537624 399640530 /nfs/dbraw/zinc/64/05/30/399640530.db2.gz KBESIKIBLPVGIB-ZDUSSCGKSA-N 1 3 300.855 2.832 20 0 DFADHO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000629576363 399654106 /nfs/dbraw/zinc/65/41/06/399654106.db2.gz UIMOQFAMMZKVNX-DLBZAZTESA-N 1 3 318.436 2.915 20 0 DFADHO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000629576363 399654110 /nfs/dbraw/zinc/65/41/10/399654110.db2.gz UIMOQFAMMZKVNX-DLBZAZTESA-N 1 3 318.436 2.915 20 0 DFADHO Cc1ccc(SC[C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000629573853 399654121 /nfs/dbraw/zinc/65/41/21/399654121.db2.gz CIFJBWMEDHEPPK-HZPDHXFCSA-N 1 3 308.491 2.522 20 0 DFADHO O[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000629581986 399654591 /nfs/dbraw/zinc/65/45/91/399654591.db2.gz LJGGGAGSZZZHSQ-KBRIMQKVSA-N 1 3 308.853 2.837 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000617344513 399669623 /nfs/dbraw/zinc/66/96/23/399669623.db2.gz KOFWDKPSGHSBSK-DOTOQJQBSA-N 1 3 321.509 2.773 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000617344513 399669625 /nfs/dbraw/zinc/66/96/25/399669625.db2.gz KOFWDKPSGHSBSK-DOTOQJQBSA-N 1 3 321.509 2.773 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)C(=O)N1CCCC1 ZINC000629549597 399643705 /nfs/dbraw/zinc/64/37/05/399643705.db2.gz SKYKEGZJGUVVLV-HZPDHXFCSA-N 1 3 309.498 2.535 20 0 DFADHO CC(C)CC[C@H](NCc1cn([C@H]2CC[NH2+]C2)nn1)C(C)(C)C ZINC000629551831 399645018 /nfs/dbraw/zinc/64/50/18/399645018.db2.gz XGXORBRCELIFSK-HOTGVXAUSA-N 1 3 307.486 2.753 20 0 DFADHO CC(C)(C)[C@@H]1CCCC[C@H]1NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629553785 399647149 /nfs/dbraw/zinc/64/71/49/399647149.db2.gz XSLBHVPFHCNLPA-ARFHVFGLSA-N 1 3 305.470 2.507 20 0 DFADHO C[NH2+]CCOCCN(C)CCOc1c(Cl)cccc1Cl ZINC000629565313 399652214 /nfs/dbraw/zinc/65/22/14/399652214.db2.gz FNINIYHEDORSEY-UHFFFAOYSA-N 1 3 321.248 2.540 20 0 DFADHO C[NH2+]CCOCCN(C)CCSc1ccc(Cl)cc1 ZINC000629567464 399652421 /nfs/dbraw/zinc/65/24/21/399652421.db2.gz OPSQUZHJXOVENU-UHFFFAOYSA-N 1 3 302.871 2.600 20 0 DFADHO C[NH2+]CCOCCN(C)[C@H](C)c1ccc(Br)cc1 ZINC000629572064 399652449 /nfs/dbraw/zinc/65/24/49/399652449.db2.gz VKKMRTKNENOKSP-GFCCVEGCSA-N 1 3 315.255 2.678 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000632517546 399682416 /nfs/dbraw/zinc/68/24/16/399682416.db2.gz MMPDROXXLJFHOJ-OWLYRPNTSA-N 1 3 317.477 2.524 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC[N@H+]1C ZINC000632517546 399682419 /nfs/dbraw/zinc/68/24/19/399682419.db2.gz MMPDROXXLJFHOJ-OWLYRPNTSA-N 1 3 317.477 2.524 20 0 DFADHO C[NH2+]CCOCCN(C)Cc1ccc(C(F)(F)F)c(C)c1 ZINC000629653783 399676482 /nfs/dbraw/zinc/67/64/82/399676482.db2.gz NQRUYEQDTWJZLK-UHFFFAOYSA-N 1 3 304.356 2.682 20 0 DFADHO C[C@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)S1 ZINC000092540361 542548068 /nfs/dbraw/zinc/54/80/68/542548068.db2.gz BZJNHOUJARCTCW-GJZGRUSLSA-N 1 3 308.491 2.953 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC000617502597 399718796 /nfs/dbraw/zinc/71/87/96/399718796.db2.gz VOYSDNQAUQXONA-SZMVWBNQSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC000617502597 399718799 /nfs/dbraw/zinc/71/87/99/399718799.db2.gz VOYSDNQAUQXONA-SZMVWBNQSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1 ZINC000617503607 399720101 /nfs/dbraw/zinc/72/01/01/399720101.db2.gz QLTHIZGYTJOIIF-SJORKVTESA-N 1 3 319.493 2.568 20 0 DFADHO C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1 ZINC000617503607 399720105 /nfs/dbraw/zinc/72/01/05/399720105.db2.gz QLTHIZGYTJOIIF-SJORKVTESA-N 1 3 319.493 2.568 20 0 DFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000423738063 296442748 /nfs/dbraw/zinc/44/27/48/296442748.db2.gz BLEXZUKWWKBXBP-INIZCTEOSA-N 1 3 311.514 2.589 20 0 DFADHO COC[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000368235191 285354312 /nfs/dbraw/zinc/35/43/12/285354312.db2.gz NSRQHBXVQZPWFA-GDAAHCPNSA-N 1 3 302.462 2.912 20 0 DFADHO COC[C@H](C)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000368235191 285354316 /nfs/dbraw/zinc/35/43/16/285354316.db2.gz NSRQHBXVQZPWFA-GDAAHCPNSA-N 1 3 302.462 2.912 20 0 DFADHO COC[C@H](C)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000368235191 285354322 /nfs/dbraw/zinc/35/43/22/285354322.db2.gz NSRQHBXVQZPWFA-GDAAHCPNSA-N 1 3 302.462 2.912 20 0 DFADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)F ZINC000358573120 285355819 /nfs/dbraw/zinc/35/58/19/285355819.db2.gz QSQPFBMBAVODFK-YYIAUSFCSA-N 1 3 324.415 2.503 20 0 DFADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)F ZINC000358573120 285355821 /nfs/dbraw/zinc/35/58/21/285355821.db2.gz QSQPFBMBAVODFK-YYIAUSFCSA-N 1 3 324.415 2.503 20 0 DFADHO O[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C(F)F ZINC000358573120 285355822 /nfs/dbraw/zinc/35/58/22/285355822.db2.gz QSQPFBMBAVODFK-YYIAUSFCSA-N 1 3 324.415 2.503 20 0 DFADHO CN1CC[C@@H](C[N@H+](C)Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000120973610 195274448 /nfs/dbraw/zinc/27/44/48/195274448.db2.gz QQEALXJJGYGFTQ-MRXNPFEDSA-N 1 3 312.417 2.652 20 0 DFADHO CN1CC[C@@H](C[N@@H+](C)Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000120973610 195274451 /nfs/dbraw/zinc/27/44/51/195274451.db2.gz QQEALXJJGYGFTQ-MRXNPFEDSA-N 1 3 312.417 2.652 20 0 DFADHO C[C@H](C[NH2+]C1CCN(c2ccccn2)CC1)CN1CCCCC1 ZINC000121590467 195312078 /nfs/dbraw/zinc/31/20/78/195312078.db2.gz HNTMUDUWPCFVHU-QGZVFWFLSA-N 1 3 316.493 2.762 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000423778315 296446830 /nfs/dbraw/zinc/44/68/30/296446830.db2.gz CRNPVEBUSMHQTQ-RDJZCZTQSA-N 1 3 303.450 2.903 20 0 DFADHO COCCCOc1cccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292826071 533297115 /nfs/dbraw/zinc/29/71/15/533297115.db2.gz QMQYEFAFMRLEHH-IBGZPJMESA-N 1 3 318.461 2.630 20 0 DFADHO COCCCOc1cccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292826071 533297119 /nfs/dbraw/zinc/29/71/19/533297119.db2.gz QMQYEFAFMRLEHH-IBGZPJMESA-N 1 3 318.461 2.630 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121031406 542581983 /nfs/dbraw/zinc/58/19/83/542581983.db2.gz TWNZUBIHPLEVRT-GOSISDBHSA-N 1 3 323.431 2.568 20 0 DFADHO CCCN1CCC([NH2+]CCCN2CCc3ccccc3C2)CC1 ZINC000122752613 542590506 /nfs/dbraw/zinc/59/05/06/542590506.db2.gz GBIRFTJVVIYIQE-UHFFFAOYSA-N 1 3 315.505 2.899 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)CN(C)C1CCC1)c1ccsc1 ZINC000629948662 399764029 /nfs/dbraw/zinc/76/40/29/399764029.db2.gz LNKIWOWGYZDPCJ-INIZCTEOSA-N 1 3 323.506 2.732 20 0 DFADHO CC(C)C[C@@H](N)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000165996185 542750256 /nfs/dbraw/zinc/75/02/56/542750256.db2.gz NIHPARXKHBWQLZ-QGZVFWFLSA-N 1 3 305.466 2.516 20 0 DFADHO CC(C)C[C@@H](N)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000165996185 542750261 /nfs/dbraw/zinc/75/02/61/542750261.db2.gz NIHPARXKHBWQLZ-QGZVFWFLSA-N 1 3 305.466 2.516 20 0 DFADHO CCC[C@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000168662215 542754123 /nfs/dbraw/zinc/75/41/23/542754123.db2.gz ILQWOMWFCIDBRR-WBVHZDCISA-N 1 3 317.477 2.894 20 0 DFADHO Cc1n[nH]cc1[C@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000180151941 542783292 /nfs/dbraw/zinc/78/32/92/542783292.db2.gz OLBCCYUKZRDZHV-ZDUSSCGKSA-N 1 3 302.422 2.509 20 0 DFADHO CCC[N@H+](C)C[C@@H]1CCN(CCN(C)Cc2ccc(F)cc2)C1 ZINC000181730816 542791142 /nfs/dbraw/zinc/79/11/42/542791142.db2.gz KDCOPXVRMGHOJQ-SFHVURJKSA-N 1 3 321.484 2.921 20 0 DFADHO CCC[N@@H+](C)C[C@@H]1CCN(CCN(C)Cc2ccc(F)cc2)C1 ZINC000181730816 542791144 /nfs/dbraw/zinc/79/11/44/542791144.db2.gz KDCOPXVRMGHOJQ-SFHVURJKSA-N 1 3 321.484 2.921 20 0 DFADHO CCc1nn(C)cc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192935147 542855021 /nfs/dbraw/zinc/85/50/21/542855021.db2.gz AQZHABMFSMPJKR-QGZVFWFLSA-N 1 3 312.461 2.594 20 0 DFADHO CCO[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCCC2)C12CCCCC2 ZINC000245927642 542918520 /nfs/dbraw/zinc/91/85/20/542918520.db2.gz RSXKEUNJXKDLNZ-KZNAEPCWSA-N 1 3 324.509 2.551 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000424447624 296510311 /nfs/dbraw/zinc/51/03/11/296510311.db2.gz VZGBYEUJHKMSOI-UHFFFAOYSA-N 1 3 318.465 2.838 20 0 DFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(CC)C1 ZINC000617928288 399838076 /nfs/dbraw/zinc/83/80/76/399838076.db2.gz MVZIYMYNEHGLQH-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(CC)C1 ZINC000617928288 399838079 /nfs/dbraw/zinc/83/80/79/399838079.db2.gz MVZIYMYNEHGLQH-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO CCOC(=O)CCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000604538772 399853664 /nfs/dbraw/zinc/85/36/64/399853664.db2.gz AMTHSBCDEVFGDF-UHFFFAOYSA-N 1 3 310.482 2.918 20 0 DFADHO c1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCOCC2)cc1 ZINC000339074991 543139484 /nfs/dbraw/zinc/13/94/84/543139484.db2.gz OLPATJPZOGZTAC-MOPGFXCFSA-N 1 3 314.473 2.951 20 0 DFADHO c1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCOCC2)cc1 ZINC000339074991 543139488 /nfs/dbraw/zinc/13/94/88/543139488.db2.gz OLPATJPZOGZTAC-MOPGFXCFSA-N 1 3 314.473 2.951 20 0 DFADHO Fc1ccc(N2CC[C@H](CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000339073800 543139870 /nfs/dbraw/zinc/13/98/70/543139870.db2.gz FHLCNCKSJPJQCC-HHXXYDBFSA-N 1 3 317.452 2.868 20 0 DFADHO Fc1ccc(N2CC[C@H](CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000339073800 543139873 /nfs/dbraw/zinc/13/98/73/543139873.db2.gz FHLCNCKSJPJQCC-HHXXYDBFSA-N 1 3 317.452 2.868 20 0 DFADHO Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CCN4CCC[C@@H]4C3)C2)cc1 ZINC000339073800 543139876 /nfs/dbraw/zinc/13/98/76/543139876.db2.gz FHLCNCKSJPJQCC-HHXXYDBFSA-N 1 3 317.452 2.868 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000348081054 543182964 /nfs/dbraw/zinc/18/29/64/543182964.db2.gz HXWBSKQTULKZPS-UXHICEINSA-N 1 3 313.489 2.712 20 0 DFADHO CO[C@]1(C)CCCN([C@@H](C)CC[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348247793 543184020 /nfs/dbraw/zinc/18/40/20/543184020.db2.gz WOXPYJCOCNZRFP-RCCFBDPRSA-N 1 3 312.498 2.767 20 0 DFADHO CO[C@]1(C)CCCN([C@@H](C)CC[N@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348247793 543184024 /nfs/dbraw/zinc/18/40/24/543184024.db2.gz WOXPYJCOCNZRFP-RCCFBDPRSA-N 1 3 312.498 2.767 20 0 DFADHO Cn1cc([C@@H](NC2CCC([NH+](C)C)CC2)c2ccccc2)cn1 ZINC000353667305 543237416 /nfs/dbraw/zinc/23/74/16/543237416.db2.gz CFWZEGBURIBITN-ACBHZAAOSA-N 1 3 312.461 2.972 20 0 DFADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000353676225 543237605 /nfs/dbraw/zinc/23/76/05/543237605.db2.gz WCGTVOYODJAQSU-QYZOEREBSA-N 1 3 302.462 2.777 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](CCCOc2ccc(OC)cc2)C1 ZINC000072858111 145190117 /nfs/dbraw/zinc/19/01/17/145190117.db2.gz SVNOPSDNRJZVRK-INIZCTEOSA-N 1 3 306.450 2.738 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](CCCOc2ccc(OC)cc2)C1 ZINC000072858111 145190120 /nfs/dbraw/zinc/19/01/20/145190120.db2.gz SVNOPSDNRJZVRK-INIZCTEOSA-N 1 3 306.450 2.738 20 0 DFADHO NC1(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCCC1 ZINC000164736435 145226895 /nfs/dbraw/zinc/22/68/95/145226895.db2.gz OGHJXXRXYXUQCT-UHFFFAOYSA-N 1 3 315.461 2.560 20 0 DFADHO NC1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCCCC1 ZINC000165653391 145231083 /nfs/dbraw/zinc/23/10/83/145231083.db2.gz LUUHERHYGAJAMR-UHFFFAOYSA-N 1 3 321.509 2.763 20 0 DFADHO NC1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCCCC1 ZINC000165653391 145231086 /nfs/dbraw/zinc/23/10/86/145231086.db2.gz LUUHERHYGAJAMR-UHFFFAOYSA-N 1 3 321.509 2.763 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000414930185 543327952 /nfs/dbraw/zinc/32/79/52/543327952.db2.gz SPAHTBMKCOAOAT-NUEKZKHPSA-N 1 3 303.450 2.880 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H](N)C2)c1C ZINC000414930185 543327953 /nfs/dbraw/zinc/32/79/53/543327953.db2.gz SPAHTBMKCOAOAT-NUEKZKHPSA-N 1 3 303.450 2.880 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414928533 543328075 /nfs/dbraw/zinc/32/80/75/543328075.db2.gz QDPWYQYDKRJBGP-BZUAXINKSA-N 1 3 306.450 2.884 20 0 DFADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1[C@@H](C)CC[C@@H]1C ZINC000174721232 145388775 /nfs/dbraw/zinc/38/87/75/145388775.db2.gz OAWMSBUWOXVCNZ-NBOOPKSLSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1[C@@H](C)CC[C@@H]1C ZINC000174721232 145388778 /nfs/dbraw/zinc/38/87/78/145388778.db2.gz OAWMSBUWOXVCNZ-NBOOPKSLSA-N 1 3 321.509 2.628 20 0 DFADHO CCOc1cc2nccc(NC3CC[NH2+]CC3)c2cc1OCC ZINC000630549598 399901814 /nfs/dbraw/zinc/90/18/14/399901814.db2.gz OBEPHZSMQMMMTA-UHFFFAOYSA-N 1 3 315.417 2.618 20 0 DFADHO C[C@@H]1C[C@H](NCc2ccc(=O)[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000631085271 399977466 /nfs/dbraw/zinc/97/74/66/399977466.db2.gz JMSOAOTUDCZKNA-CRAIPNDOSA-N 1 3 311.429 2.930 20 0 DFADHO C[C@@H]1C[C@H](NCc2ccc(=O)[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000631085271 399977467 /nfs/dbraw/zinc/97/74/67/399977467.db2.gz JMSOAOTUDCZKNA-CRAIPNDOSA-N 1 3 311.429 2.930 20 0 DFADHO C[C@H]1C[C@@H](NCc2ccc(=O)[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000631085274 399977618 /nfs/dbraw/zinc/97/76/18/399977618.db2.gz JMSOAOTUDCZKNA-YJBOKZPZSA-N 1 3 311.429 2.930 20 0 DFADHO C[C@H]1C[C@@H](NCc2ccc(=O)[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000631085274 399977619 /nfs/dbraw/zinc/97/76/19/399977619.db2.gz JMSOAOTUDCZKNA-YJBOKZPZSA-N 1 3 311.429 2.930 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000634120876 399985207 /nfs/dbraw/zinc/98/52/07/399985207.db2.gz PQMOAEXNCHMJPD-OAGGEKHMSA-N 1 3 309.498 2.581 20 0 DFADHO CC[C@@H]1CCCC[C@H]1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000628121069 399987675 /nfs/dbraw/zinc/98/76/75/399987675.db2.gz PXAPDKPDMVMGCE-MOPGFXCFSA-N 1 3 307.526 2.916 20 0 DFADHO Cc1ccc([C@H](C)C[NH+]2CCC(N(C)C[C@@H](C)O)CC2)cc1 ZINC000628165770 399994602 /nfs/dbraw/zinc/99/46/02/399994602.db2.gz LSENEHQLMFOKTO-IAGOWNOFSA-N 1 3 304.478 2.876 20 0 DFADHO CC[C@@H]1CCCC[C@@H]1C[NH+]1CCN([C@H]2CCCN(C)C2)CC1 ZINC000628167263 399995380 /nfs/dbraw/zinc/99/53/80/399995380.db2.gz INVSSXBRAIBMOS-QRVBRYPASA-N 1 3 307.526 2.915 20 0 DFADHO c1cc(CNCC2CC[NH+](CC3CC3)CC2)n(CC2CCC2)n1 ZINC000631178086 399997062 /nfs/dbraw/zinc/99/70/62/399997062.db2.gz HXZJBDIDDBCWHJ-UHFFFAOYSA-N 1 3 316.493 2.895 20 0 DFADHO CCN1CCN(CCC[NH2+]C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628232791 400005474 /nfs/dbraw/zinc/00/54/74/400005474.db2.gz NTDRRUUTGIDRKJ-SFHVURJKSA-N 1 3 303.494 2.716 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000631258871 400014218 /nfs/dbraw/zinc/01/42/18/400014218.db2.gz DIHJJAYGNWGICZ-HSALFYBXSA-N 1 3 313.489 2.786 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000631258871 400014219 /nfs/dbraw/zinc/01/42/19/400014219.db2.gz DIHJJAYGNWGICZ-HSALFYBXSA-N 1 3 313.489 2.786 20 0 DFADHO COc1cccc2c1OCCC[C@@H]2NCC1=CC[N@H+](C)CC1 ZINC000631605775 400057648 /nfs/dbraw/zinc/05/76/48/400057648.db2.gz GYLKLKDRUXXPGY-INIZCTEOSA-N 1 3 302.418 2.760 20 0 DFADHO COc1cccc2c1OCCC[C@@H]2NCC1=CC[N@@H+](C)CC1 ZINC000631605775 400057650 /nfs/dbraw/zinc/05/76/50/400057650.db2.gz GYLKLKDRUXXPGY-INIZCTEOSA-N 1 3 302.418 2.760 20 0 DFADHO CCN1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667166 400064285 /nfs/dbraw/zinc/06/42/85/400064285.db2.gz LQBNNVGIFBKRPB-PKOBYXMFSA-N 1 3 315.505 2.828 20 0 DFADHO CC(C)[C@H]1C[N@@H+](C2CCN(Cc3ccccc3)CC2)CCN1C ZINC000631792920 400075626 /nfs/dbraw/zinc/07/56/26/400075626.db2.gz PLADGKIYJUTEJV-HXUWFJFHSA-N 1 3 315.505 2.923 20 0 DFADHO CC(C)[C@H]1C[N@H+](C2CCN(Cc3ccccc3)CC2)CCN1C ZINC000631792920 400075627 /nfs/dbraw/zinc/07/56/27/400075627.db2.gz PLADGKIYJUTEJV-HXUWFJFHSA-N 1 3 315.505 2.923 20 0 DFADHO Cc1cc(C)c(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(C)n1 ZINC000631828349 400078116 /nfs/dbraw/zinc/07/81/16/400078116.db2.gz MKUWGEFUPBMBDV-IEBWSBKVSA-N 1 3 317.477 2.725 20 0 DFADHO CCCC[C@H](N)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000236786608 146027694 /nfs/dbraw/zinc/02/76/94/146027694.db2.gz VDRRTYMKUBSXND-SFHVURJKSA-N 1 3 317.477 2.593 20 0 DFADHO C[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000245204111 146063997 /nfs/dbraw/zinc/06/39/97/146063997.db2.gz YUEDSUYLLCLMNJ-OWCLPIDISA-N 1 3 317.477 2.626 20 0 DFADHO CCN(C[C@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1)CC(F)(F)F ZINC000245686983 146092740 /nfs/dbraw/zinc/09/27/40/146092740.db2.gz PTNXZBYJELGRMM-HUUCEWRRSA-N 1 3 321.431 2.677 20 0 DFADHO CCN(C[C@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1)CC(F)(F)F ZINC000245686983 146092744 /nfs/dbraw/zinc/09/27/44/146092744.db2.gz PTNXZBYJELGRMM-HUUCEWRRSA-N 1 3 321.431 2.677 20 0 DFADHO CCOC(=O)CCN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000249372378 146195268 /nfs/dbraw/zinc/19/52/68/146195268.db2.gz PEEQYMVNRAAWJC-MNZLEMJZSA-N 1 3 318.461 2.686 20 0 DFADHO CCOC(=O)CCN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000249372378 146195272 /nfs/dbraw/zinc/19/52/72/146195272.db2.gz PEEQYMVNRAAWJC-MNZLEMJZSA-N 1 3 318.461 2.686 20 0 DFADHO CC1CC[NH+](CCN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000252692340 146221932 /nfs/dbraw/zinc/22/19/32/146221932.db2.gz BFLLMVVMAHLTGP-PKOBYXMFSA-N 1 3 305.510 2.667 20 0 DFADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1Br ZINC000261543286 146237540 /nfs/dbraw/zinc/23/75/40/146237540.db2.gz CTDYBSQEMCFOII-AEJSXWLSSA-N 1 3 301.228 2.844 20 0 DFADHO c1cnn(-c2ccccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000261621393 146248632 /nfs/dbraw/zinc/24/86/32/146248632.db2.gz AYDCMJASPHYTEK-FGTMMUONSA-N 1 3 310.445 2.883 20 0 DFADHO c1ccc(-c2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000261631138 146249692 /nfs/dbraw/zinc/24/96/92/146249692.db2.gz HHXKLIDXEKVANB-OAQYLSRUSA-N 1 3 321.468 2.833 20 0 DFADHO Cc1cccc(N2CCN(CCC3CC[NH2+]CC3)CC2)c1C ZINC000261741709 146269955 /nfs/dbraw/zinc/26/99/55/146269955.db2.gz SEXAAPFWXZVEJH-UHFFFAOYSA-N 1 3 301.478 2.815 20 0 DFADHO COC(=O)c1cccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261782214 146275715 /nfs/dbraw/zinc/27/57/15/146275715.db2.gz FNVAOPLGCSACII-MOPGFXCFSA-N 1 3 324.424 2.648 20 0 DFADHO [NH3+]CC[C@H]1CCCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000261794458 146277925 /nfs/dbraw/zinc/27/79/25/146277925.db2.gz GLUYTXVGEOFDBF-OAHLLOKOSA-N 1 3 316.424 2.631 20 0 DFADHO Cc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261817038 146281487 /nfs/dbraw/zinc/28/14/87/146281487.db2.gz IBDITNVLLNRCGJ-KFKAGJAMSA-N 1 3 310.445 2.565 20 0 DFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@@H](N)c1ccccc1 ZINC000261820229 146283213 /nfs/dbraw/zinc/28/32/13/146283213.db2.gz WMKZSHKMACZLQE-GOSISDBHSA-N 1 3 319.493 2.903 20 0 DFADHO COc1c(C)cnc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1C ZINC000261829607 146284293 /nfs/dbraw/zinc/28/42/93/146284293.db2.gz BJOVYRSKCSJZGO-MRXNPFEDSA-N 1 3 303.450 2.671 20 0 DFADHO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000261907575 146298900 /nfs/dbraw/zinc/29/89/00/146298900.db2.gz HEWGKWQTURGZSW-DOTOQJQBSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000262101987 146333017 /nfs/dbraw/zinc/33/30/17/146333017.db2.gz VROZUGDFFWCRGV-MJGOQNOKSA-N 1 3 301.478 2.582 20 0 DFADHO CCOc1ccc(OCCN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000262111145 146334200 /nfs/dbraw/zinc/33/42/00/146334200.db2.gz JUOYKGRNPJGUPN-JCGIZDLHSA-N 1 3 304.434 2.523 20 0 DFADHO C[NH2+]CCC1CCN(CCOc2ccccc2C(C)=O)CC1 ZINC000262338600 146352798 /nfs/dbraw/zinc/35/27/98/146352798.db2.gz UDMIXPGAYGXLFZ-UHFFFAOYSA-N 1 3 304.434 2.590 20 0 DFADHO C[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])N1CCCC[C@H]1C ZINC000262437185 146360480 /nfs/dbraw/zinc/36/04/80/146360480.db2.gz ULSUREPAFGNAGS-WJPQVJKASA-N 1 3 321.509 2.519 20 0 DFADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@H](C)CCN2)c1 ZINC000262518108 146367052 /nfs/dbraw/zinc/36/70/52/146367052.db2.gz NTLCVYFHLJJCRI-PBHICJAKSA-N 1 3 303.450 2.855 20 0 DFADHO C[NH+](C)CCOC1CCN(Cc2scnc2C2CC2)CC1 ZINC000494979150 543416244 /nfs/dbraw/zinc/41/62/44/543416244.db2.gz LJPKIRIXWPJNMV-UHFFFAOYSA-N 1 3 309.479 2.563 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)N1CCCCC1 ZINC000354809735 147159462 /nfs/dbraw/zinc/15/94/62/147159462.db2.gz IVSZEMXJSAKLOV-MSOLQXFVSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)N1CCCCC1 ZINC000354809735 147159465 /nfs/dbraw/zinc/15/94/65/147159465.db2.gz IVSZEMXJSAKLOV-MSOLQXFVSA-N 1 3 323.525 2.734 20 0 DFADHO COc1cc2c(cc1OC)[C@@H](NC[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000526041098 543428884 /nfs/dbraw/zinc/42/88/84/543428884.db2.gz GNILGZSOPTZGFG-BBRMVZONSA-N 1 3 304.434 2.623 20 0 DFADHO COc1cc2c(cc1OC)[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000526041098 543428887 /nfs/dbraw/zinc/42/88/87/543428887.db2.gz GNILGZSOPTZGFG-BBRMVZONSA-N 1 3 304.434 2.623 20 0 DFADHO COC[C@H](CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000585094109 543460040 /nfs/dbraw/zinc/46/00/40/543460040.db2.gz BJGTVVOVIZOGFM-WDSOQIARSA-N 1 3 320.477 2.633 20 0 DFADHO COC[C@H](CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000585094109 543460042 /nfs/dbraw/zinc/46/00/42/543460042.db2.gz BJGTVVOVIZOGFM-WDSOQIARSA-N 1 3 320.477 2.633 20 0 DFADHO CC(C)(CNCc1cc(C2CC[NH2+]CC2)no1)C1(O)CCCC1 ZINC000425896582 296603175 /nfs/dbraw/zinc/60/31/75/296603175.db2.gz PROOOVVAKKRJLR-UHFFFAOYSA-N 1 3 321.465 2.563 20 0 DFADHO C[C@H]([NH2+]CC1(CCO)CCC1)c1cccc(OCCN(C)C)c1 ZINC000358317074 148326655 /nfs/dbraw/zinc/32/66/55/148326655.db2.gz KASKEKZCDAFOFJ-INIZCTEOSA-N 1 3 320.477 2.830 20 0 DFADHO C[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000358323488 148329503 /nfs/dbraw/zinc/32/95/03/148329503.db2.gz VGOYHBHWYYATTR-MRXNPFEDSA-N 1 3 320.477 2.830 20 0 DFADHO Cc1cc(F)c(CN[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(F)c1 ZINC000643760380 543505387 /nfs/dbraw/zinc/50/53/87/543505387.db2.gz OCVIOWQAHCJDQF-AWEZNQCLSA-N 1 3 323.431 2.531 20 0 DFADHO Cc1cc(F)c(CN[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(F)c1 ZINC000643760380 543505391 /nfs/dbraw/zinc/50/53/91/543505391.db2.gz OCVIOWQAHCJDQF-AWEZNQCLSA-N 1 3 323.431 2.531 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCN4CCC4)[C@H]3C2)cc1 ZINC000358572578 148389407 /nfs/dbraw/zinc/38/94/07/148389407.db2.gz QPHSBMPEPBQUTH-UFYCRDLUSA-N 1 3 313.489 2.582 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCN4CCC4)[C@H]3C2)cc1 ZINC000358572578 148389409 /nfs/dbraw/zinc/38/94/09/148389409.db2.gz QPHSBMPEPBQUTH-UFYCRDLUSA-N 1 3 313.489 2.582 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCN4CCC4)[C@H]3C2)cc1 ZINC000358572578 148389412 /nfs/dbraw/zinc/38/94/12/148389412.db2.gz QPHSBMPEPBQUTH-UFYCRDLUSA-N 1 3 313.489 2.582 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000361067712 149022464 /nfs/dbraw/zinc/02/24/64/149022464.db2.gz JJJOXOGNWUIQOM-DOTOQJQBSA-N 1 3 317.477 2.514 20 0 DFADHO O=C1CCCCN1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000361231141 149061188 /nfs/dbraw/zinc/06/11/88/149061188.db2.gz RZCLKQNNDUUCDQ-UHFFFAOYSA-N 1 3 321.509 2.776 20 0 DFADHO O=C1CCCCN1CCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000361231141 149061191 /nfs/dbraw/zinc/06/11/91/149061191.db2.gz RZCLKQNNDUUCDQ-UHFFFAOYSA-N 1 3 321.509 2.776 20 0 DFADHO Cc1ccccc1[C@@H](C)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361341914 149090116 /nfs/dbraw/zinc/09/01/16/149090116.db2.gz SEHOTYLZYIJFKT-MRXNPFEDSA-N 1 3 317.477 2.588 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000361725888 149202875 /nfs/dbraw/zinc/20/28/75/149202875.db2.gz GLNSDMYWKQIJGG-WMLDXEAASA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCc1nc(C(F)(F)F)cs1 ZINC000361806231 149224608 /nfs/dbraw/zinc/22/46/08/149224608.db2.gz GALIRLNRTSAZFC-VHSXEESVSA-N 1 3 307.385 2.634 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCc1nc(C(F)(F)F)cs1 ZINC000361806231 149224611 /nfs/dbraw/zinc/22/46/11/149224611.db2.gz GALIRLNRTSAZFC-VHSXEESVSA-N 1 3 307.385 2.634 20 0 DFADHO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](CCn2ccnc2)CC1 ZINC000362395852 149296106 /nfs/dbraw/zinc/29/61/06/149296106.db2.gz KWUOUFOOKJWCHR-LJQANCHMSA-N 1 3 312.461 2.870 20 0 DFADHO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](CCn2ccnc2)CC1 ZINC000362395852 149296107 /nfs/dbraw/zinc/29/61/07/149296107.db2.gz KWUOUFOOKJWCHR-LJQANCHMSA-N 1 3 312.461 2.870 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(OCC(F)(F)F)cc3)C[C@H]12 ZINC000351482083 286131568 /nfs/dbraw/zinc/13/15/68/286131568.db2.gz YRPTZAOEFDLTAL-AEGPPILISA-N 1 3 314.351 2.797 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3cccc4ccccc43)C[C@@H]12 ZINC000351488189 286133347 /nfs/dbraw/zinc/13/33/47/286133347.db2.gz DZSMKCVXPUSOQI-KBAYOESNSA-N 1 3 323.440 2.838 20 0 DFADHO Cc1nccn1CCCN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000371205328 150003011 /nfs/dbraw/zinc/00/30/11/150003011.db2.gz QVAXHEDPPPMSMT-LJQANCHMSA-N 1 3 312.461 2.788 20 0 DFADHO Cc1nccn1CCCN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000371205328 150003013 /nfs/dbraw/zinc/00/30/13/150003013.db2.gz QVAXHEDPPPMSMT-LJQANCHMSA-N 1 3 312.461 2.788 20 0 DFADHO C[C@H]1CCCCN1CCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000371586192 150067722 /nfs/dbraw/zinc/06/77/22/150067722.db2.gz WKBABYLBCDJXHH-HNNXBMFYSA-N 1 3 322.522 2.966 20 0 DFADHO C[N@H+](C[C@@H](O)CN[C@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000351571690 286157252 /nfs/dbraw/zinc/15/72/52/286157252.db2.gz AVKXVJIWHPXFJX-RBUKOAKNSA-N 1 3 302.462 2.963 20 0 DFADHO C[N@@H+](C[C@@H](O)CN[C@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000351571690 286157253 /nfs/dbraw/zinc/15/72/53/286157253.db2.gz AVKXVJIWHPXFJX-RBUKOAKNSA-N 1 3 302.462 2.963 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCOc3cc(OC)ccc32)C1 ZINC000371877202 150107101 /nfs/dbraw/zinc/10/71/01/150107101.db2.gz TXIXNKKAEKXWEY-YOEHRIQHSA-N 1 3 304.434 2.840 20 0 DFADHO Cc1cnn(CC2CCN(CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000351598157 286164545 /nfs/dbraw/zinc/16/45/45/286164545.db2.gz MZGGHCTZCTUOMA-SFHVURJKSA-N 1 3 304.482 2.778 20 0 DFADHO Cc1cnn(CC2CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000351598157 286164547 /nfs/dbraw/zinc/16/45/47/286164547.db2.gz MZGGHCTZCTUOMA-SFHVURJKSA-N 1 3 304.482 2.778 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000372781927 150184316 /nfs/dbraw/zinc/18/43/16/150184316.db2.gz PMFCNRKJFFFFID-LNLFQRSKSA-N 1 3 301.478 2.894 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000372781927 150184317 /nfs/dbraw/zinc/18/43/17/150184317.db2.gz PMFCNRKJFFFFID-LNLFQRSKSA-N 1 3 301.478 2.894 20 0 DFADHO CCCC[C@@H](C)[NH2+]Cc1c(C)nn(C)c1N1CCCN(C)CC1 ZINC000372783629 150184556 /nfs/dbraw/zinc/18/45/56/150184556.db2.gz RIUALMMLEATPHL-OAHLLOKOSA-N 1 3 321.513 2.539 20 0 DFADHO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1C ZINC000373002089 150214889 /nfs/dbraw/zinc/21/48/89/150214889.db2.gz ZLVZTDYGOCYOJX-HXUWFJFHSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1C ZINC000373002089 150214892 /nfs/dbraw/zinc/21/48/92/150214892.db2.gz ZLVZTDYGOCYOJX-HXUWFJFHSA-N 1 3 315.505 2.904 20 0 DFADHO COc1ccc(CC[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1O ZINC000373789937 150256928 /nfs/dbraw/zinc/25/69/28/150256928.db2.gz YQUNOEPCGOSUNB-UAGQMJEPSA-N 1 3 318.461 2.938 20 0 DFADHO COc1ccc(CC[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1O ZINC000373789937 150256930 /nfs/dbraw/zinc/25/69/30/150256930.db2.gz YQUNOEPCGOSUNB-UAGQMJEPSA-N 1 3 318.461 2.938 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCN3CCC[C@H]3C2)cc1O ZINC000373789937 150256934 /nfs/dbraw/zinc/25/69/34/150256934.db2.gz YQUNOEPCGOSUNB-UAGQMJEPSA-N 1 3 318.461 2.938 20 0 DFADHO c1cc(CO[C@@H]2CC[N@@H+](CCCN3CCCCC3)C2)ccn1 ZINC000373912584 150277359 /nfs/dbraw/zinc/27/73/59/150277359.db2.gz ORZCUZWDVVGRCG-GOSISDBHSA-N 1 3 303.450 2.549 20 0 DFADHO c1cc(CO[C@@H]2CC[N@H+](CCCN3CCCCC3)C2)ccn1 ZINC000373912584 150277361 /nfs/dbraw/zinc/27/73/61/150277361.db2.gz ORZCUZWDVVGRCG-GOSISDBHSA-N 1 3 303.450 2.549 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccccc1N(C)C ZINC000093946826 286198126 /nfs/dbraw/zinc/19/81/26/286198126.db2.gz VRUMOYJUZJYGME-HOTGVXAUSA-N 1 3 307.482 2.760 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1nc2ccccc2n1C ZINC000091369113 286198272 /nfs/dbraw/zinc/19/82/72/286198272.db2.gz IXAGRPVEMCCDRW-GJZGRUSLSA-N 1 3 318.465 2.581 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N2CCCCC2)C12CCOCC2 ZINC000249010355 286282390 /nfs/dbraw/zinc/28/23/90/286282390.db2.gz OOTRVGDMMUUDFR-RCCFBDPRSA-N 1 3 324.509 2.815 20 0 DFADHO CCO[C@@H]1C[C@@H](NCC[C@H](C)[NH+]2CCCCC2)C12CCOCC2 ZINC000249010355 286282391 /nfs/dbraw/zinc/28/23/91/286282391.db2.gz OOTRVGDMMUUDFR-RCCFBDPRSA-N 1 3 324.509 2.815 20 0 DFADHO C[C@@H]1CC[C@H](c2ccccc2)N(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000352115680 286296223 /nfs/dbraw/zinc/29/62/23/286296223.db2.gz NLYUYNONRPPFLV-AYOQOUSVSA-N 1 3 302.462 2.915 20 0 DFADHO C[C@@H]1CC[C@H](c2ccccc2)N(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352115680 286296225 /nfs/dbraw/zinc/29/62/25/286296225.db2.gz NLYUYNONRPPFLV-AYOQOUSVSA-N 1 3 302.462 2.915 20 0 DFADHO CCOc1cc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)ccc1OC ZINC000246806324 158098727 /nfs/dbraw/zinc/09/87/27/158098727.db2.gz BLJJSPORPVFCQY-GOEBONIOSA-N 1 3 306.450 2.914 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000246809316 158100344 /nfs/dbraw/zinc/10/03/44/158100344.db2.gz AMYDXYHIALEMNV-IMJJTQAJSA-N 1 3 304.434 2.981 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000246809316 158100350 /nfs/dbraw/zinc/10/03/50/158100350.db2.gz AMYDXYHIALEMNV-IMJJTQAJSA-N 1 3 304.434 2.981 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000246917128 158105840 /nfs/dbraw/zinc/10/58/40/158105840.db2.gz FYIPUUHHMYPZEL-ZJIFWQFVSA-N 1 3 306.450 2.781 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000246917128 158105841 /nfs/dbraw/zinc/10/58/41/158105841.db2.gz FYIPUUHHMYPZEL-ZJIFWQFVSA-N 1 3 306.450 2.781 20 0 DFADHO COC(=O)[C@H](C)C[N@H+](CC[C@H]1CCCN1C)Cc1ccccc1 ZINC000247120307 158119033 /nfs/dbraw/zinc/11/90/33/158119033.db2.gz MLHDBDCHMWWXNJ-SJLPKXTDSA-N 1 3 318.461 2.782 20 0 DFADHO COC(=O)[C@H](C)C[N@@H+](CC[C@H]1CCCN1C)Cc1ccccc1 ZINC000247120307 158119036 /nfs/dbraw/zinc/11/90/36/158119036.db2.gz MLHDBDCHMWWXNJ-SJLPKXTDSA-N 1 3 318.461 2.782 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000247439919 158136439 /nfs/dbraw/zinc/13/64/39/158136439.db2.gz WOOJYUUHDRWBRY-AEFFLSMTSA-N 1 3 315.461 2.821 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000247439919 158136443 /nfs/dbraw/zinc/13/64/43/158136443.db2.gz WOOJYUUHDRWBRY-AEFFLSMTSA-N 1 3 315.461 2.821 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000247439919 158136445 /nfs/dbraw/zinc/13/64/45/158136445.db2.gz WOOJYUUHDRWBRY-AEFFLSMTSA-N 1 3 315.461 2.821 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000247439919 158136447 /nfs/dbraw/zinc/13/64/47/158136447.db2.gz WOOJYUUHDRWBRY-AEFFLSMTSA-N 1 3 315.461 2.821 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000247995150 158157456 /nfs/dbraw/zinc/15/74/56/158157456.db2.gz JVPHIVISLZFTGN-HNBVOPMISA-N 1 3 315.505 2.969 20 0 DFADHO CN(CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)Cc1ccc(F)cc1 ZINC000248543386 158182282 /nfs/dbraw/zinc/18/22/82/158182282.db2.gz DANRBUAGTDNIAP-IEBWSBKVSA-N 1 3 319.468 2.674 20 0 DFADHO CN(CCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)Cc1ccc(F)cc1 ZINC000248543386 158182284 /nfs/dbraw/zinc/18/22/84/158182284.db2.gz DANRBUAGTDNIAP-IEBWSBKVSA-N 1 3 319.468 2.674 20 0 DFADHO Cc1cnn(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000248755797 158200300 /nfs/dbraw/zinc/20/03/00/158200300.db2.gz CPQVUAQAXFHDLX-OWZKRDHZSA-N 1 3 324.472 2.977 20 0 DFADHO Cc1cnn(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000248755797 158200303 /nfs/dbraw/zinc/20/03/03/158200303.db2.gz CPQVUAQAXFHDLX-OWZKRDHZSA-N 1 3 324.472 2.977 20 0 DFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H]1CCOC1 ZINC000357027086 158351610 /nfs/dbraw/zinc/35/16/10/158351610.db2.gz SBNKQSNGSCQLHJ-QGZVFWFLSA-N 1 3 303.450 2.656 20 0 DFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H]1CCOC1 ZINC000357027086 158351612 /nfs/dbraw/zinc/35/16/12/158351612.db2.gz SBNKQSNGSCQLHJ-QGZVFWFLSA-N 1 3 303.450 2.656 20 0 DFADHO CC(=O)c1ccccc1OCCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357079651 158361646 /nfs/dbraw/zinc/36/16/46/158361646.db2.gz MNKQODJYBGGXDJ-KRWDZBQOSA-N 1 3 316.445 2.590 20 0 DFADHO CC[N@H+](CCC1CCN(CC(=O)N(C)C(C)C)CC1)CC1CC1 ZINC000357086548 158363000 /nfs/dbraw/zinc/36/30/00/158363000.db2.gz OVUZTESCGQIUFZ-UHFFFAOYSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@@H+](CCC1CCN(CC(=O)N(C)C(C)C)CC1)CC1CC1 ZINC000357086548 158363003 /nfs/dbraw/zinc/36/30/03/158363003.db2.gz OVUZTESCGQIUFZ-UHFFFAOYSA-N 1 3 323.525 2.687 20 0 DFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)c(C)c1 ZINC000358505447 158383135 /nfs/dbraw/zinc/38/31/35/158383135.db2.gz IFBWGAANRDKXNJ-INIZCTEOSA-N 1 3 315.461 2.706 20 0 DFADHO C[C@H](CNC(=O)C[C@H](c1ccccc1)N(C)C)C[NH+]1CCCC1 ZINC000431724895 296847499 /nfs/dbraw/zinc/84/74/99/296847499.db2.gz XGIHTAIIPMTDGJ-SJLPKXTDSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000186321399 287059922 /nfs/dbraw/zinc/05/99/22/287059922.db2.gz FSNRUUGKPDLDJO-NXWXRZEISA-N 1 3 301.478 2.894 20 0 DFADHO C[C@@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000186321399 287059924 /nfs/dbraw/zinc/05/99/24/287059924.db2.gz FSNRUUGKPDLDJO-NXWXRZEISA-N 1 3 301.478 2.894 20 0 DFADHO C[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)CN1CCCCC1 ZINC000054041305 425889087 /nfs/dbraw/zinc/88/90/87/425889087.db2.gz OJGNOHZBJHAEIJ-HNNXBMFYSA-N 1 3 313.449 2.683 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131423864 196168072 /nfs/dbraw/zinc/16/80/72/196168072.db2.gz YSOWXJAAVPVKEH-HLLBOEOZSA-N 1 3 302.466 2.500 20 0 DFADHO COCCCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000133021495 196305286 /nfs/dbraw/zinc/30/52/86/196305286.db2.gz NLVAWLGCSVGKAX-UHFFFAOYSA-N 1 3 319.493 2.733 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(N)CCC1 ZINC000296042312 287275846 /nfs/dbraw/zinc/27/58/46/287275846.db2.gz OCVUFFKIIFKECT-OAHLLOKOSA-N 1 3 315.461 2.559 20 0 DFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(N)CCC1 ZINC000296042312 287275850 /nfs/dbraw/zinc/27/58/50/287275850.db2.gz OCVUFFKIIFKECT-OAHLLOKOSA-N 1 3 315.461 2.559 20 0 DFADHO C[C@@H]1CCCC[C@H]1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000183052870 287307445 /nfs/dbraw/zinc/30/74/45/287307445.db2.gz YIDWBFWTBWPIEA-QYZOEREBSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1CCCC[C@H]1CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000183052870 287307448 /nfs/dbraw/zinc/30/74/48/287307448.db2.gz YIDWBFWTBWPIEA-QYZOEREBSA-N 1 3 307.526 2.915 20 0 DFADHO CCCC[N@H+](C)CC1CCN(Cc2cnn3c2CCC3)CC1 ZINC000667501647 543619513 /nfs/dbraw/zinc/61/95/13/543619513.db2.gz FKYHKYWQSLXXGF-UHFFFAOYSA-N 1 3 304.482 2.773 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(Cc2cnn3c2CCC3)CC1 ZINC000667501647 543619514 /nfs/dbraw/zinc/61/95/14/543619514.db2.gz FKYHKYWQSLXXGF-UHFFFAOYSA-N 1 3 304.482 2.773 20 0 DFADHO CC(C)[NH+](CCCNC(=O)Nc1cccc(CN)c1)C(C)C ZINC000667726621 543667655 /nfs/dbraw/zinc/66/76/55/543667655.db2.gz VBPVHNYBULRICJ-UHFFFAOYSA-N 1 3 306.454 2.776 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc(CN)c2)C1 ZINC000667730960 543668635 /nfs/dbraw/zinc/66/86/35/543668635.db2.gz HWZPJFQAUSQHTM-HNNXBMFYSA-N 1 3 318.465 2.779 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2cccc(CN)c2)C1 ZINC000667730960 543668637 /nfs/dbraw/zinc/66/86/37/543668637.db2.gz HWZPJFQAUSQHTM-HNNXBMFYSA-N 1 3 318.465 2.779 20 0 DFADHO CC[NH+]1CCC(N[C@H](C)COc2ccc(CCOC)cc2)CC1 ZINC000667764025 543675176 /nfs/dbraw/zinc/67/51/76/543675176.db2.gz OUTGHGJEWUQGDZ-MRXNPFEDSA-N 1 3 320.477 2.717 20 0 DFADHO CN(C)[C@H](CC(=O)N(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000667999490 543721212 /nfs/dbraw/zinc/72/12/12/543721212.db2.gz DWIMGPFFMLYKFW-GOSISDBHSA-N 1 3 317.477 2.624 20 0 DFADHO Oc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000668511281 543816261 /nfs/dbraw/zinc/81/62/61/543816261.db2.gz DYSJSPOUTFSFNC-UHFFFAOYSA-N 1 3 311.429 2.789 20 0 DFADHO CN(CC1=CCSC1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000668775009 543865536 /nfs/dbraw/zinc/86/55/36/543865536.db2.gz CXJYDAJIJLEUOL-UHFFFAOYSA-N 1 3 306.475 2.732 20 0 DFADHO NCc1cccc(NC(=O)c2ccccc2CC2CC[NH2+]CC2)c1 ZINC000669508425 543958357 /nfs/dbraw/zinc/95/83/57/543958357.db2.gz WMIJQMUSZDBJFH-UHFFFAOYSA-N 1 3 323.440 2.940 20 0 DFADHO Cc1cnccc1C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000296730283 226171679 /nfs/dbraw/zinc/17/16/79/226171679.db2.gz JNJQENXJQLQWBI-BGYRXZFFSA-N 1 3 307.441 2.954 20 0 DFADHO Cc1cnccc1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000296730283 226171684 /nfs/dbraw/zinc/17/16/84/226171684.db2.gz JNJQENXJQLQWBI-BGYRXZFFSA-N 1 3 307.441 2.954 20 0 DFADHO C[C@@H](C[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C(C)(C)C ZINC000670266951 544031061 /nfs/dbraw/zinc/03/10/61/544031061.db2.gz JJLNGAZHFHKKML-HNNXBMFYSA-N 1 3 319.493 2.750 20 0 DFADHO C[C@H](C[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C(C)(C)C ZINC000670266952 544031427 /nfs/dbraw/zinc/03/14/27/544031427.db2.gz JJLNGAZHFHKKML-OAHLLOKOSA-N 1 3 319.493 2.750 20 0 DFADHO COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000671109048 544056013 /nfs/dbraw/zinc/05/60/13/544056013.db2.gz UWXNYZZAGJTGEY-AEFFLSMTSA-N 1 3 304.478 2.954 20 0 DFADHO CC(C)[C@H](CO)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000672615551 544143489 /nfs/dbraw/zinc/14/34/89/544143489.db2.gz IDNJUAQLKJTLHN-WBVHZDCISA-N 1 3 308.466 2.542 20 0 DFADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000675875128 544341248 /nfs/dbraw/zinc/34/12/48/544341248.db2.gz RGBXPLIWDMCSBQ-WDSOQIARSA-N 1 3 307.526 2.959 20 0 DFADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000675875133 544341416 /nfs/dbraw/zinc/34/14/16/544341416.db2.gz RGBXPLIWDMCSBQ-YTQUADARSA-N 1 3 307.526 2.959 20 0 DFADHO COc1ccc(COCC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000675897702 544342704 /nfs/dbraw/zinc/34/27/04/544342704.db2.gz RQJKSTXUSYOULQ-PKOBYXMFSA-N 1 3 318.461 2.628 20 0 DFADHO COc1ccc(COCC[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000675897702 544342707 /nfs/dbraw/zinc/34/27/07/544342707.db2.gz RQJKSTXUSYOULQ-PKOBYXMFSA-N 1 3 318.461 2.628 20 0 DFADHO CCCN1CCC([NH2+][C@H]2CCOc3cc(OC)ccc32)CC1 ZINC000675902916 544343284 /nfs/dbraw/zinc/34/32/84/544343284.db2.gz MUAVREHBLIELHF-KRWDZBQOSA-N 1 3 304.434 2.983 20 0 DFADHO C[C@@H](CC[N@@H+]1CCCOC(C)(C)C1)N1CCCOC(C)(C)C1 ZINC000676253126 544366027 /nfs/dbraw/zinc/36/60/27/544366027.db2.gz XKVPYSMXSXEMND-INIZCTEOSA-N 1 3 312.498 2.767 20 0 DFADHO C[C@@H](CC[N@H+]1CCCOC(C)(C)C1)N1CCCOC(C)(C)C1 ZINC000676253126 544366029 /nfs/dbraw/zinc/36/60/29/544366029.db2.gz XKVPYSMXSXEMND-INIZCTEOSA-N 1 3 312.498 2.767 20 0 DFADHO C[NH+](C)CCCC1CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000678046359 544587679 /nfs/dbraw/zinc/58/76/79/544587679.db2.gz SLYQCLREIJBPPM-QGZVFWFLSA-N 1 3 318.461 2.880 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000678333587 544652833 /nfs/dbraw/zinc/65/28/33/544652833.db2.gz DRESFXLZYPSFRD-IEBWSBKVSA-N 1 3 318.461 2.628 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000678333587 544652835 /nfs/dbraw/zinc/65/28/35/544652835.db2.gz DRESFXLZYPSFRD-IEBWSBKVSA-N 1 3 318.461 2.628 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000678340898 544654681 /nfs/dbraw/zinc/65/46/81/544654681.db2.gz SDHFYAYQJXKSGW-NUJGCVRESA-N 1 3 300.446 2.969 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000678340898 544654683 /nfs/dbraw/zinc/65/46/83/544654683.db2.gz SDHFYAYQJXKSGW-NUJGCVRESA-N 1 3 300.446 2.969 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000678340898 544654688 /nfs/dbraw/zinc/65/46/88/544654688.db2.gz SDHFYAYQJXKSGW-NUJGCVRESA-N 1 3 300.446 2.969 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(C[C@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000678340898 544654691 /nfs/dbraw/zinc/65/46/91/544654691.db2.gz SDHFYAYQJXKSGW-NUJGCVRESA-N 1 3 300.446 2.969 20 0 DFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)[C@@H]1CCCOC1 ZINC000678465396 544678507 /nfs/dbraw/zinc/67/85/07/544678507.db2.gz RKRZUMJLUNTYJS-GOSISDBHSA-N 1 3 303.450 2.799 20 0 DFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)[C@@H]1CCCOC1 ZINC000678465396 544678510 /nfs/dbraw/zinc/67/85/10/544678510.db2.gz RKRZUMJLUNTYJS-GOSISDBHSA-N 1 3 303.450 2.799 20 0 DFADHO CC(C)[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccnc1 ZINC000678686348 544710505 /nfs/dbraw/zinc/71/05/05/544710505.db2.gz OXLVAIBYSKMEKS-IEBWSBKVSA-N 1 3 316.493 2.537 20 0 DFADHO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000678765871 544716820 /nfs/dbraw/zinc/71/68/20/544716820.db2.gz HLEOJKAXZKHESS-XLIONFOSSA-N 1 3 315.505 2.927 20 0 DFADHO CCSc1ccccc1[C@@H](C)NC1CC[NH+](CCO)CC1 ZINC000679037515 544772911 /nfs/dbraw/zinc/77/29/11/544772911.db2.gz UZBMTMKWEXYZQK-CQSZACIVSA-N 1 3 308.491 2.906 20 0 DFADHO CN(C)CCOc1ccc(CC[NH2+]Cc2ccc(O)cc2)cc1 ZINC000679395284 544848198 /nfs/dbraw/zinc/84/81/98/544848198.db2.gz TYLGIHGTGIQMMI-UHFFFAOYSA-N 1 3 314.429 2.665 20 0 DFADHO CC[NH+](CC)CCCC1CCN(CCn2ccccc2=O)CC1 ZINC000679872919 544920452 /nfs/dbraw/zinc/92/04/52/544920452.db2.gz CARHKOFHPWMAHK-UHFFFAOYSA-N 1 3 319.493 2.682 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000066960872 425907778 /nfs/dbraw/zinc/90/77/78/425907778.db2.gz GSPAZYDOMDXIHU-OAHLLOKOSA-N 1 3 311.514 2.734 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000066960872 425907779 /nfs/dbraw/zinc/90/77/79/425907779.db2.gz GSPAZYDOMDXIHU-OAHLLOKOSA-N 1 3 311.514 2.734 20 0 DFADHO C/C(=C\c1ccccc1)C[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000067122199 425908629 /nfs/dbraw/zinc/90/86/29/425908629.db2.gz RDDPHSHYUSSFPC-WPNIOXTASA-N 1 3 302.462 2.772 20 0 DFADHO COc1ccccc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000067453021 425910559 /nfs/dbraw/zinc/91/05/59/425910559.db2.gz ZLPZGIVXRLCDLN-HZPDHXFCSA-N 1 3 306.450 2.674 20 0 DFADHO CCN(CC)CC(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000067998271 425915487 /nfs/dbraw/zinc/91/54/87/425915487.db2.gz PCUKQCNFQIIEGN-KRWDZBQOSA-N 1 3 305.466 2.528 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000155607450 425921460 /nfs/dbraw/zinc/92/14/60/425921460.db2.gz XZFRAKGKDARLQQ-RDJZCZTQSA-N 1 3 319.518 2.839 20 0 DFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000155781685 425927163 /nfs/dbraw/zinc/92/71/63/425927163.db2.gz IYHIOMJFVVDPIR-HOTGVXAUSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000155781685 425927166 /nfs/dbraw/zinc/92/71/66/425927166.db2.gz IYHIOMJFVVDPIR-HOTGVXAUSA-N 1 3 317.477 2.598 20 0 DFADHO OCCCCC[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000192926154 268054046 /nfs/dbraw/zinc/05/40/46/268054046.db2.gz OMBFXQFRLQQCBP-OTWHNJEPSA-N 1 3 302.462 2.649 20 0 DFADHO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195136863 268127398 /nfs/dbraw/zinc/12/73/98/268127398.db2.gz MAQAEAMHKDQRFM-YJBOKZPZSA-N 1 3 312.461 2.901 20 0 DFADHO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195136854 268127565 /nfs/dbraw/zinc/12/75/65/268127565.db2.gz MAQAEAMHKDQRFM-QAPCUYQASA-N 1 3 312.461 2.901 20 0 DFADHO c1cc(N2CCCC2)ncc1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000268148447 268183066 /nfs/dbraw/zinc/18/30/66/268183066.db2.gz APUWEAYQKRRGJS-UHFFFAOYSA-N 1 3 314.477 2.788 20 0 DFADHO C[C@@H]1[NH2+]CCC[C@H]1NC1CCC2(CC1)c1ccccc1NC2=O ZINC000333289186 268389471 /nfs/dbraw/zinc/38/94/71/268389471.db2.gz OCPZGHSJOLVRFI-VWHBUJHXSA-N 1 3 313.445 2.549 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000333340067 268392712 /nfs/dbraw/zinc/39/27/12/268392712.db2.gz XXJAUKJHMQNUFE-KLZNWCGWSA-N 1 3 309.498 2.580 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000333340069 268392949 /nfs/dbraw/zinc/39/29/49/268392949.db2.gz XXJAUKJHMQNUFE-LJIGWXMPSA-N 1 3 309.498 2.580 20 0 DFADHO CC1CC[NH+](CCCNC(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000069639744 425950409 /nfs/dbraw/zinc/95/04/09/425950409.db2.gz BLVUWHFLPYULNT-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000125095753 425952598 /nfs/dbraw/zinc/95/25/98/425952598.db2.gz QSQMYZLTHZCUTA-ATNYBXOESA-N 1 3 306.450 2.781 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000125095753 425952600 /nfs/dbraw/zinc/95/26/00/425952600.db2.gz QSQMYZLTHZCUTA-ATNYBXOESA-N 1 3 306.450 2.781 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000125478538 425974123 /nfs/dbraw/zinc/97/41/23/425974123.db2.gz MVWRECGOQNZWQC-QAPCUYQASA-N 1 3 321.534 2.890 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000073327409 426025865 /nfs/dbraw/zinc/02/58/65/426025865.db2.gz IPWXLIXTXKZLFK-GOSISDBHSA-N 1 3 321.509 2.584 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C(C)C ZINC000126716058 426033521 /nfs/dbraw/zinc/03/35/21/426033521.db2.gz QEQLRZHMNUMXCL-LJQANCHMSA-N 1 3 303.494 2.958 20 0 DFADHO CC(=O)NC1CCC([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000161857036 426042428 /nfs/dbraw/zinc/04/24/28/426042428.db2.gz HNXSGCRFZLOQMR-VFPGXZCRSA-N 1 3 321.509 2.676 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000161852380 426043033 /nfs/dbraw/zinc/04/30/33/426043033.db2.gz QYJRSLUMKRSRDR-GDBMZVCRSA-N 1 3 304.434 2.668 20 0 DFADHO CC(C)[NH+](CCCNC(=O)c1cccc(CN(C)C)c1)C(C)C ZINC000074333703 426046488 /nfs/dbraw/zinc/04/64/88/426046488.db2.gz MVXQQKWNVXWKJM-UHFFFAOYSA-N 1 3 319.493 2.987 20 0 DFADHO C(CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1)C[NH+]1CCCCC1 ZINC000161984415 426048521 /nfs/dbraw/zinc/04/85/21/426048521.db2.gz KBXLNPIXIHCMAY-IEBWSBKVSA-N 1 3 305.510 2.811 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000163217644 426093938 /nfs/dbraw/zinc/09/39/38/426093938.db2.gz KRDWPMVUCBTEFO-GJZGRUSLSA-N 1 3 317.433 2.636 20 0 DFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000076129459 426101230 /nfs/dbraw/zinc/10/12/30/426101230.db2.gz WOEXDVZIDAPPBC-HNNXBMFYSA-N 1 3 318.465 2.744 20 0 DFADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)c1 ZINC000128296411 426111493 /nfs/dbraw/zinc/11/14/93/426111493.db2.gz MKHJHYWJLVRPGO-GOSISDBHSA-N 1 3 303.494 2.982 20 0 DFADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128329099 426113350 /nfs/dbraw/zinc/11/33/50/426113350.db2.gz ZYOVGJHUYYBULC-FQEVSTJZSA-N 1 3 317.521 2.933 20 0 DFADHO CC1CC[NH+](C[C@H]2CCCN(CCN3CCCCC3)C2)CC1 ZINC000077173390 426121714 /nfs/dbraw/zinc/12/17/14/426121714.db2.gz JGYFFKWWPDWDJV-IBGZPJMESA-N 1 3 307.526 2.916 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OC)cc1F ZINC000165941147 426124664 /nfs/dbraw/zinc/12/46/64/426124664.db2.gz QWXZGJSOBNCKMJ-DZGCQCFKSA-N 1 3 312.429 2.842 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OC)cc1F ZINC000165941395 426124800 /nfs/dbraw/zinc/12/48/00/426124800.db2.gz QWXZGJSOBNCKMJ-UKRRQHHQSA-N 1 3 312.429 2.842 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(F)cc1F ZINC000165965852 426125034 /nfs/dbraw/zinc/12/50/34/426125034.db2.gz XDZKPFAWFGBEGC-OCCSQVGLSA-N 1 3 300.393 2.972 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@]1(CC)CCC[NH2+]1)c1ccccc1 ZINC000128688727 426129182 /nfs/dbraw/zinc/12/91/82/426129182.db2.gz PETJOLUBBVHKNB-MJGOQNOKSA-N 1 3 317.477 2.718 20 0 DFADHO CCC[C@@H](N)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000169090595 426136438 /nfs/dbraw/zinc/13/64/38/426136438.db2.gz PIZQGLDKLQSTNG-MRXNPFEDSA-N 1 3 319.449 2.536 20 0 DFADHO C[C@@H]1C[C@H](NCC2=CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000127762524 426085131 /nfs/dbraw/zinc/08/51/31/426085131.db2.gz XAYKGQKMUMZFIY-VQIMIIECSA-N 1 3 300.446 2.976 20 0 DFADHO C[C@@H]1C[C@H](NCC2=CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000127762524 426085133 /nfs/dbraw/zinc/08/51/33/426085133.db2.gz XAYKGQKMUMZFIY-VQIMIIECSA-N 1 3 300.446 2.976 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000171650487 426202526 /nfs/dbraw/zinc/20/25/26/426202526.db2.gz NSZBOMYSVNCXRZ-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000171650487 426202527 /nfs/dbraw/zinc/20/25/27/426202527.db2.gz NSZBOMYSVNCXRZ-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338328382 268659478 /nfs/dbraw/zinc/65/94/78/268659478.db2.gz RSJFZJULJHHGEI-VQTJNVASSA-N 1 3 316.489 2.887 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338328382 268659479 /nfs/dbraw/zinc/65/94/79/268659479.db2.gz RSJFZJULJHHGEI-VQTJNVASSA-N 1 3 316.489 2.887 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1)C(C)C ZINC000170868182 426156338 /nfs/dbraw/zinc/15/63/38/426156338.db2.gz FFUIWSQQDRKFAL-GOSISDBHSA-N 1 3 317.477 2.693 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1)C(C)C ZINC000170868182 426156339 /nfs/dbraw/zinc/15/63/39/426156339.db2.gz FFUIWSQQDRKFAL-GOSISDBHSA-N 1 3 317.477 2.693 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC000171304227 426182883 /nfs/dbraw/zinc/18/28/83/426182883.db2.gz MVTFOOFEHCOGBT-IYBDPMFKSA-N 1 3 312.498 2.623 20 0 DFADHO O[C@H](CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000134899860 426199579 /nfs/dbraw/zinc/19/95/79/426199579.db2.gz LVKRIKHFMKWDBV-BHIYHBOVSA-N 1 3 300.446 2.669 20 0 DFADHO O[C@H](CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000134899860 426199582 /nfs/dbraw/zinc/19/95/82/426199582.db2.gz LVKRIKHFMKWDBV-BHIYHBOVSA-N 1 3 300.446 2.669 20 0 DFADHO CCC[C@@H](C(=O)NCc1cccc(C[NH+](CC)CC)c1)N(C)C ZINC000136572905 426242345 /nfs/dbraw/zinc/24/23/45/426242345.db2.gz YDFUUXSWNCUNEO-SFHVURJKSA-N 1 3 319.493 2.875 20 0 DFADHO CC[C@@H]1CCCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000150743602 426260828 /nfs/dbraw/zinc/26/08/28/426260828.db2.gz JIHQOEACRYYCBT-QGZVFWFLSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000119114677 426264326 /nfs/dbraw/zinc/26/43/26/426264326.db2.gz YNMRYZJUIQADCK-NEWSRXKRSA-N 1 3 301.478 2.581 20 0 DFADHO Cc1cccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c1C ZINC000150955489 426269507 /nfs/dbraw/zinc/26/95/07/426269507.db2.gz BEUVTZVSLSJVNI-KRWDZBQOSA-N 1 3 303.494 2.980 20 0 DFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000119566215 426297341 /nfs/dbraw/zinc/29/73/41/426297341.db2.gz OABYRMVKAHSGPY-WBVHZDCISA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000119566215 426297343 /nfs/dbraw/zinc/29/73/43/426297343.db2.gz OABYRMVKAHSGPY-WBVHZDCISA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H]([NH2+]CCCN(C)C)c1ccc(OCc2nccn2C)cc1 ZINC000151923143 426318697 /nfs/dbraw/zinc/31/86/97/426318697.db2.gz VJZLMMTUBJMSJB-OAHLLOKOSA-N 1 3 316.449 2.601 20 0 DFADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cnc(C3CC3)s2)CC1 ZINC000121150793 426322269 /nfs/dbraw/zinc/32/22/69/426322269.db2.gz BZXJZUJJTRAZIG-ZDUSSCGKSA-N 1 3 323.506 2.545 20 0 DFADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccncc1 ZINC000090523897 426326989 /nfs/dbraw/zinc/32/69/89/426326989.db2.gz BCQMAWOLGGFCJC-WBAXXEDZSA-N 1 3 303.450 2.500 20 0 DFADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCCO2 ZINC000152380520 426342126 /nfs/dbraw/zinc/34/21/26/426342126.db2.gz MJXLUYAUGBIDDZ-KBXCAEBGSA-N 1 3 316.445 2.983 20 0 DFADHO CCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC1CC1 ZINC000176112793 426352441 /nfs/dbraw/zinc/35/24/41/426352441.db2.gz VGHOUVBXQGFBSZ-GOSISDBHSA-N 1 3 317.477 2.528 20 0 DFADHO CCC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC1CC1 ZINC000176112793 426352443 /nfs/dbraw/zinc/35/24/43/426352443.db2.gz VGHOUVBXQGFBSZ-GOSISDBHSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@@H]([NH2+]Cc1ccccc1OCCN(C)C)C1CCOCC1 ZINC000122408795 426374091 /nfs/dbraw/zinc/37/40/91/426374091.db2.gz SLUMRGJAZXVKQP-OAHLLOKOSA-N 1 3 306.450 2.532 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000154216720 426430233 /nfs/dbraw/zinc/43/02/33/426430233.db2.gz ABFVLCPDWXGEOL-SFHVURJKSA-N 1 3 303.494 2.982 20 0 DFADHO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000123513319 426438427 /nfs/dbraw/zinc/43/84/27/426438427.db2.gz JWLWOLTZGCPRIP-CRAIPNDOSA-N 1 3 308.466 2.685 20 0 DFADHO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000123512863 426438447 /nfs/dbraw/zinc/43/84/47/426438447.db2.gz JWLWOLTZGCPRIP-MAUKXSAKSA-N 1 3 308.466 2.685 20 0 DFADHO C[NH+](C)CCCC1CCN(Cc2cnc3ccccn23)CC1 ZINC000123593896 426442353 /nfs/dbraw/zinc/44/23/53/426442353.db2.gz KFRNSJPHUXFEGR-UHFFFAOYSA-N 1 3 300.450 2.888 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccccc2OC)CC1 ZINC000154480212 426442667 /nfs/dbraw/zinc/44/26/67/426442667.db2.gz YWBFSOGFGPZZNB-QGZVFWFLSA-N 1 3 319.493 2.764 20 0 DFADHO C[C@]1(CN(CCCO)[C@H]2CCCc3ccccc32)CC[NH2+]C1 ZINC000340700970 269001361 /nfs/dbraw/zinc/00/13/61/269001361.db2.gz KDRYUINXRNNZPK-OALUTQOASA-N 1 3 302.462 2.748 20 0 DFADHO CN(CCCc1cc(-c2ccccc2)n[nH]1)C[C@@]1(C)CC[NH2+]C1 ZINC000340712827 269002996 /nfs/dbraw/zinc/00/29/96/269002996.db2.gz SWQJMBCGSDNVEB-IBGZPJMESA-N 1 3 312.461 2.941 20 0 DFADHO COCC[N@H+](C)CCCN[C@@H]1CCCc2cc(OC)ccc21 ZINC000153783224 426406940 /nfs/dbraw/zinc/40/69/40/426406940.db2.gz VZRMKQZAFMHHCR-GOSISDBHSA-N 1 3 306.450 2.631 20 0 DFADHO COCC[N@@H+](C)CCCN[C@@H]1CCCc2cc(OC)ccc21 ZINC000153783224 426406944 /nfs/dbraw/zinc/40/69/44/426406944.db2.gz VZRMKQZAFMHHCR-GOSISDBHSA-N 1 3 306.450 2.631 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000155440759 426472303 /nfs/dbraw/zinc/47/23/03/426472303.db2.gz CDKWBHNNKGYBNK-SMKXDYDZSA-N 1 3 323.431 2.862 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000155440759 426472306 /nfs/dbraw/zinc/47/23/06/426472306.db2.gz CDKWBHNNKGYBNK-SMKXDYDZSA-N 1 3 323.431 2.862 20 0 DFADHO CCOC(=O)N1CC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000186445605 426528754 /nfs/dbraw/zinc/52/87/54/426528754.db2.gz COOSGEMRNPQKOY-MRXNPFEDSA-N 1 3 323.481 2.604 20 0 DFADHO CC(C)OCCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280258432 426533664 /nfs/dbraw/zinc/53/36/64/426533664.db2.gz CGHPCNVVEFVLMP-KDURUIRLSA-N 1 3 302.462 2.865 20 0 DFADHO CC(C)OCCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280258432 426533667 /nfs/dbraw/zinc/53/36/67/426533667.db2.gz CGHPCNVVEFVLMP-KDURUIRLSA-N 1 3 302.462 2.865 20 0 DFADHO OCc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000272498599 426540355 /nfs/dbraw/zinc/54/03/55/426540355.db2.gz NQXOYQPRFCTPEZ-IEBWSBKVSA-N 1 3 300.446 2.628 20 0 DFADHO OCc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000272498599 426540363 /nfs/dbraw/zinc/54/03/63/426540363.db2.gz NQXOYQPRFCTPEZ-IEBWSBKVSA-N 1 3 300.446 2.628 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1)C(C)C ZINC000272511199 426544807 /nfs/dbraw/zinc/54/48/07/426544807.db2.gz GHDHFBZUBDPYHB-HZPDHXFCSA-N 1 3 317.477 2.739 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1)C(C)C ZINC000272511199 426544810 /nfs/dbraw/zinc/54/48/10/426544810.db2.gz GHDHFBZUBDPYHB-HZPDHXFCSA-N 1 3 317.477 2.739 20 0 DFADHO CSCCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177510424 426490659 /nfs/dbraw/zinc/49/06/59/426490659.db2.gz SMZWURPQUHOZJA-HOTGVXAUSA-N 1 3 314.539 2.951 20 0 DFADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1cn[nH]c1 ZINC000272602687 426569619 /nfs/dbraw/zinc/56/96/19/426569619.db2.gz URUICGMQZVVDJR-OYSPMZIOSA-N 1 3 310.445 2.971 20 0 DFADHO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000178114349 426573635 /nfs/dbraw/zinc/57/36/35/426573635.db2.gz CUDYHRCJGYGUDJ-YJBOKZPZSA-N 1 3 308.466 2.685 20 0 DFADHO CC[NH+](CC)CCOCCN(CCCCO)Cc1ccccc1 ZINC000273056605 426583423 /nfs/dbraw/zinc/58/34/23/426583423.db2.gz LMQKUTPXYMFTOY-UHFFFAOYSA-N 1 3 322.493 2.620 20 0 DFADHO CN(CCO)C1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000265256323 426606249 /nfs/dbraw/zinc/60/62/49/426606249.db2.gz ULBHYTRQSHFSLQ-UHFFFAOYSA-N 1 3 312.457 2.771 20 0 DFADHO COCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000289270377 426617878 /nfs/dbraw/zinc/61/78/78/426617878.db2.gz GHHNSVMXOXAXSM-JWTNVVGKSA-N 1 3 318.461 2.769 20 0 DFADHO COCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000289270377 426617883 /nfs/dbraw/zinc/61/78/83/426617883.db2.gz GHHNSVMXOXAXSM-JWTNVVGKSA-N 1 3 318.461 2.769 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000226373056 426619850 /nfs/dbraw/zinc/61/98/50/426619850.db2.gz HPNPMGYHCOGBNM-KOLCDFICSA-N 1 3 303.269 2.770 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1ccc(Br)s1 ZINC000226373056 426619853 /nfs/dbraw/zinc/61/98/53/426619853.db2.gz HPNPMGYHCOGBNM-KOLCDFICSA-N 1 3 303.269 2.770 20 0 DFADHO CC(C)c1nc([C@@H](C)N[C@H](C)CC[NH+]2CCN(C)CC2)cs1 ZINC000186583124 426556967 /nfs/dbraw/zinc/55/69/67/426556967.db2.gz LUCDOTSUPAFRKY-HUUCEWRRSA-N 1 3 324.538 2.943 20 0 DFADHO C[C@H](CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236723747 426679834 /nfs/dbraw/zinc/67/98/34/426679834.db2.gz FSLMCLLMOKPMIM-SOLBZPMBSA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236724108 426680038 /nfs/dbraw/zinc/68/00/38/426680038.db2.gz DDLUMGJIEHVIOV-JQHSSLGASA-N 1 3 317.477 2.529 20 0 DFADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236724108 426680043 /nfs/dbraw/zinc/68/00/43/426680043.db2.gz DDLUMGJIEHVIOV-JQHSSLGASA-N 1 3 317.477 2.529 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000236757999 426685136 /nfs/dbraw/zinc/68/51/36/426685136.db2.gz OCGWGRDSGLABOX-YJBOKZPZSA-N 1 3 317.477 2.703 20 0 DFADHO COCCOc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000178412568 426624469 /nfs/dbraw/zinc/62/44/69/426624469.db2.gz MXKIBJJDBBYKNC-MRXNPFEDSA-N 1 3 306.450 2.848 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCCC1)c1ccc2c(c1)OCCO2 ZINC000178412611 426624739 /nfs/dbraw/zinc/62/47/39/426624739.db2.gz DWUWRXUGXIDGCG-MRXNPFEDSA-N 1 3 304.434 2.984 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1cccc(OCCN(C)C)c1 ZINC000178426312 426626523 /nfs/dbraw/zinc/62/65/23/426626523.db2.gz VSNVBJPOMQTVGV-HZPDHXFCSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCOC1)c1cccc(OCCN(C)C)c1 ZINC000178426300 426627298 /nfs/dbraw/zinc/62/72/98/426627298.db2.gz VSNVBJPOMQTVGV-JKSUJKDBSA-N 1 3 306.450 2.704 20 0 DFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H](N)CC)c1 ZINC000178850102 426707279 /nfs/dbraw/zinc/70/72/79/426707279.db2.gz OAKAMHVUGPSRGT-KRWDZBQOSA-N 1 3 305.466 2.662 20 0 DFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H](N)CC)c1 ZINC000178850102 426707284 /nfs/dbraw/zinc/70/72/84/426707284.db2.gz OAKAMHVUGPSRGT-KRWDZBQOSA-N 1 3 305.466 2.662 20 0 DFADHO CN(C[C@H](O)C(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290192392 426714867 /nfs/dbraw/zinc/71/48/67/426714867.db2.gz GASRYCWVAYZLMQ-ROUUACIJSA-N 1 3 304.478 2.847 20 0 DFADHO CN(C[C@H](O)C(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290192392 426714869 /nfs/dbraw/zinc/71/48/69/426714869.db2.gz GASRYCWVAYZLMQ-ROUUACIJSA-N 1 3 304.478 2.847 20 0 DFADHO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000290112139 426695567 /nfs/dbraw/zinc/69/55/67/426695567.db2.gz ITNOWVALWQYDJI-KXBFYZLASA-N 1 3 320.477 2.829 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCc2cc(F)c(OC)cc21 ZINC000281815792 426771058 /nfs/dbraw/zinc/77/10/58/426771058.db2.gz ZFZYSMBZQBCTAN-YOEHRIQHSA-N 1 3 324.440 2.768 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](c1cncc(F)c1)C1CC1 ZINC000281817807 426772097 /nfs/dbraw/zinc/77/20/97/426772097.db2.gz ZKFSVHSXBFUUBW-IAGOWNOFSA-N 1 3 309.429 2.618 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C(C)(C)C ZINC000290246366 426724918 /nfs/dbraw/zinc/72/49/18/426724918.db2.gz JODXNVVMXKQTOG-QGZVFWFLSA-N 1 3 319.493 2.892 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246165187 426804904 /nfs/dbraw/zinc/80/49/04/426804904.db2.gz AQGHLZZXSGASOA-JZXOWHBKSA-N 1 3 315.461 2.916 20 0 DFADHO Cc1cc([C@H](C)NCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000290733298 426828209 /nfs/dbraw/zinc/82/82/09/426828209.db2.gz PNCYTAQFZDSQOI-AWEZNQCLSA-N 1 3 300.406 2.945 20 0 DFADHO CCN1CCC([NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000274824316 426845126 /nfs/dbraw/zinc/84/51/26/426845126.db2.gz ZFEXLEFKCFGZRF-FQEVSTJZSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC[C@H]1CCCN1C ZINC000246566123 426845243 /nfs/dbraw/zinc/84/52/43/426845243.db2.gz AXWUEFVYPVULAQ-NVXWUHKLSA-N 1 3 313.449 2.744 20 0 DFADHO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[C@H]1CCCN1C ZINC000246566123 426845248 /nfs/dbraw/zinc/84/52/48/426845248.db2.gz AXWUEFVYPVULAQ-NVXWUHKLSA-N 1 3 313.449 2.744 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563554 426792138 /nfs/dbraw/zinc/79/21/38/426792138.db2.gz SLZXGORMCGBFLE-RBUKOAKNSA-N 1 3 314.473 2.970 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563554 426792144 /nfs/dbraw/zinc/79/21/44/426792144.db2.gz SLZXGORMCGBFLE-RBUKOAKNSA-N 1 3 314.473 2.970 20 0 DFADHO C[NH+]1CCC([C@@H]2CCN(Cc3cccc4c3OCO4)C2)CC1 ZINC000290553585 426793755 /nfs/dbraw/zinc/79/37/55/426793755.db2.gz RXODVQBSVAPOKJ-OAHLLOKOSA-N 1 3 302.418 2.579 20 0 DFADHO CSc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000266913528 426794086 /nfs/dbraw/zinc/79/40/86/426794086.db2.gz WXMHQBPPEMIHPV-AWEZNQCLSA-N 1 3 308.491 2.906 20 0 DFADHO CC(C)C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccn1 ZINC000282328243 426883876 /nfs/dbraw/zinc/88/38/76/426883876.db2.gz OAHLHVKHSDOYAY-GOSISDBHSA-N 1 3 318.509 2.784 20 0 DFADHO CSC[C@](C)(O)CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000305127905 426884536 /nfs/dbraw/zinc/88/45/36/426884536.db2.gz LXRXNFNJVYGKGQ-DJIMGWMZSA-N 1 3 314.539 2.733 20 0 DFADHO CSC[C@](C)(O)C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000305127905 426884541 /nfs/dbraw/zinc/88/45/41/426884541.db2.gz LXRXNFNJVYGKGQ-DJIMGWMZSA-N 1 3 314.539 2.733 20 0 DFADHO CC[NH+](CC)CCCC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC000180753649 426885694 /nfs/dbraw/zinc/88/56/94/426885694.db2.gz UIGXVPZXKKXJCU-UHFFFAOYSA-N 1 3 311.514 2.687 20 0 DFADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282345320 426885831 /nfs/dbraw/zinc/88/58/31/426885831.db2.gz PAFAQLGWXYHTAN-IBGZPJMESA-N 1 3 317.521 2.932 20 0 DFADHO CCSc1cccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282357574 426890537 /nfs/dbraw/zinc/89/05/37/426890537.db2.gz NBKPXBMMLHSCMV-UHFFFAOYSA-N 1 3 321.534 2.914 20 0 DFADHO Cc1noc(C)c1C[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000291479133 426891274 /nfs/dbraw/zinc/89/12/74/426891274.db2.gz QOGDQQIGUSRCPM-CYBMUJFWSA-N 1 3 314.433 2.876 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247112586 426905472 /nfs/dbraw/zinc/90/54/72/426905472.db2.gz TYOPSGNJAWNZRL-YFHUEUNASA-N 1 3 301.478 2.756 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247112586 426905478 /nfs/dbraw/zinc/90/54/78/426905478.db2.gz TYOPSGNJAWNZRL-YFHUEUNASA-N 1 3 301.478 2.756 20 0 DFADHO CC(C)Oc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282417401 426905849 /nfs/dbraw/zinc/90/58/49/426905849.db2.gz QOQCZSQWBHAUOM-UHFFFAOYSA-N 1 3 319.493 2.589 20 0 DFADHO C[C@@H]1C[C@H](N[C@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@@H+]1C ZINC000247168637 426909940 /nfs/dbraw/zinc/90/99/40/426909940.db2.gz YHJZYVFFDZJPND-NRXGSXMXSA-N 1 3 316.445 2.981 20 0 DFADHO C[C@@H]1C[C@H](N[C@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@H+]1C ZINC000247168637 426909944 /nfs/dbraw/zinc/90/99/44/426909944.db2.gz YHJZYVFFDZJPND-NRXGSXMXSA-N 1 3 316.445 2.981 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)CN(C)C ZINC000291804124 426994399 /nfs/dbraw/zinc/99/43/99/426994399.db2.gz XOJKIZCGURWZFA-LMMKCTJWSA-N 1 3 303.494 2.827 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000314684205 426930694 /nfs/dbraw/zinc/93/06/94/426930694.db2.gz AMMLDWQWFGDERW-ZIAGYGMSSA-N 1 3 308.388 2.640 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000314684205 426930697 /nfs/dbraw/zinc/93/06/97/426930697.db2.gz AMMLDWQWFGDERW-ZIAGYGMSSA-N 1 3 308.388 2.640 20 0 DFADHO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000292011131 427056596 /nfs/dbraw/zinc/05/65/96/427056596.db2.gz DFYUVHARDQKVNP-GJZGRUSLSA-N 1 3 321.490 2.533 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248455117 427004914 /nfs/dbraw/zinc/00/49/14/427004914.db2.gz HSHYUOHEACEXJJ-IEWDOMPSSA-N 1 3 314.473 2.646 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248455117 427004923 /nfs/dbraw/zinc/00/49/23/427004923.db2.gz HSHYUOHEACEXJJ-IEWDOMPSSA-N 1 3 314.473 2.646 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248455117 427004927 /nfs/dbraw/zinc/00/49/27/427004927.db2.gz HSHYUOHEACEXJJ-IEWDOMPSSA-N 1 3 314.473 2.646 20 0 DFADHO C[C@@H]1CCCC[C@@H]1CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000248508752 427007531 /nfs/dbraw/zinc/00/75/31/427007531.db2.gz YIDWBFWTBWPIEA-GUDVDZBRSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1CCCC[C@@H]1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000248508752 427007537 /nfs/dbraw/zinc/00/75/37/427007537.db2.gz YIDWBFWTBWPIEA-GUDVDZBRSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CCCC1 ZINC000182269475 427044619 /nfs/dbraw/zinc/04/46/19/427044619.db2.gz YSBSZJQPUZGYJH-KXBFYZLASA-N 1 3 302.462 2.922 20 0 DFADHO Cc1cccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1F ZINC000296077754 427069142 /nfs/dbraw/zinc/06/91/42/427069142.db2.gz QIFPOVVPNMOSBY-UHFFFAOYSA-N 1 3 307.457 2.592 20 0 DFADHO C[C@H](CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000338002917 427088366 /nfs/dbraw/zinc/08/83/66/427088366.db2.gz SSDWUOKPPAZSFT-HHARLNAUSA-N 1 3 309.498 2.627 20 0 DFADHO C[C@H](CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000338002917 427088371 /nfs/dbraw/zinc/08/83/71/427088371.db2.gz SSDWUOKPPAZSFT-HHARLNAUSA-N 1 3 309.498 2.627 20 0 DFADHO O[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC[C@@H](C(F)(F)F)C1 ZINC000249209224 427098233 /nfs/dbraw/zinc/09/82/33/427098233.db2.gz XFEMXRRZSYQHTL-APIJFGDWSA-N 1 3 320.399 2.686 20 0 DFADHO O[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC[C@@H](C(F)(F)F)C1 ZINC000249209224 427098240 /nfs/dbraw/zinc/09/82/40/427098240.db2.gz XFEMXRRZSYQHTL-APIJFGDWSA-N 1 3 320.399 2.686 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C)nc2C)[C@@H](C)C1 ZINC000249385583 427109518 /nfs/dbraw/zinc/10/95/18/427109518.db2.gz QZJSSZYPZJIDIM-KXBFYZLASA-N 1 3 319.493 2.925 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(COC)c2)C1 ZINC000249385063 427110338 /nfs/dbraw/zinc/11/03/38/427110338.db2.gz YEYCBOAIATVNRP-HUUCEWRRSA-N 1 3 306.450 2.834 20 0 DFADHO COc1ccc2c(c1)[C@@H](NCCC[NH+]1CCC(O)CC1)CCC2 ZINC000268807776 427121627 /nfs/dbraw/zinc/12/16/27/427121627.db2.gz DADFCPWVHZXXKC-IBGZPJMESA-N 1 3 318.461 2.509 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000268799199 427122010 /nfs/dbraw/zinc/12/20/10/427122010.db2.gz XVZNWRKZQRATAS-CEXWTWQISA-N 1 3 320.452 2.990 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000268799199 427122014 /nfs/dbraw/zinc/12/20/14/427122014.db2.gz XVZNWRKZQRATAS-CEXWTWQISA-N 1 3 320.452 2.990 20 0 DFADHO COc1ccc2c(c1)CCC[C@@H]2NCCC[NH+]1CCC(O)CC1 ZINC000268820651 427127239 /nfs/dbraw/zinc/12/72/39/427127239.db2.gz HJEXQMIAJCWVAH-IBGZPJMESA-N 1 3 318.461 2.509 20 0 DFADHO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000249763427 427144773 /nfs/dbraw/zinc/14/47/73/427144773.db2.gz XZZLFZOWMGYSLY-BDXSIMOUSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000249763427 427144779 /nfs/dbraw/zinc/14/47/79/427144779.db2.gz XZZLFZOWMGYSLY-BDXSIMOUSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@@H]1CC[C@@H](C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)O1 ZINC000190651759 427153143 /nfs/dbraw/zinc/15/31/43/427153143.db2.gz SVBZBWDTWFYUHY-VXNCWWDNSA-N 1 3 324.509 2.765 20 0 DFADHO C1C[C@@H]2C[C@H]([NH2+][C@H]3CCOC4(CCSCC4)C3)CCN2C1 ZINC000251086243 427158166 /nfs/dbraw/zinc/15/81/66/427158166.db2.gz HTSVJADNNBVBQV-OWCLPIDISA-N 1 3 310.507 2.648 20 0 DFADHO C1C[C@@H]2C[C@H](N[C@H]3CCOC4(CCSCC4)C3)CC[N@@H+]2C1 ZINC000251086243 427158172 /nfs/dbraw/zinc/15/81/72/427158172.db2.gz HTSVJADNNBVBQV-OWCLPIDISA-N 1 3 310.507 2.648 20 0 DFADHO C1C[C@@H]2C[C@H](N[C@H]3CCOC4(CCSCC4)C3)CC[N@H+]2C1 ZINC000251086243 427158175 /nfs/dbraw/zinc/15/81/75/427158175.db2.gz HTSVJADNNBVBQV-OWCLPIDISA-N 1 3 310.507 2.648 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc1)C1CC1 ZINC000158266493 271075177 /nfs/dbraw/zinc/07/51/77/271075177.db2.gz UNSAGVCNUYGBNP-LJQANCHMSA-N 1 3 317.477 2.774 20 0 DFADHO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000165135193 271094571 /nfs/dbraw/zinc/09/45/71/271094571.db2.gz HLJWOFGOUQKOBG-JKSUJKDBSA-N 1 3 301.434 2.738 20 0 DFADHO [NH3+]CCCCCCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000237988124 271254347 /nfs/dbraw/zinc/25/43/47/271254347.db2.gz ZWSBUVXZKKSVTC-SFHVURJKSA-N 1 3 317.477 2.849 20 0 DFADHO CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000262314867 271271155 /nfs/dbraw/zinc/27/11/55/271271155.db2.gz PACFBRGSHPANPV-XJKSGUPXSA-N 1 3 309.479 2.519 20 0 DFADHO C[C@H](c1ccccc1F)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000264309068 271272117 /nfs/dbraw/zinc/27/21/17/271272117.db2.gz ZJDQJWVGWJQQFK-LSDHHAIUSA-N 1 3 308.441 2.911 20 0 DFADHO C[C@H]([NH2+]CC1(C)OCCCO1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000277335387 427170240 /nfs/dbraw/zinc/17/02/40/427170240.db2.gz UPKGTVSJFMWRPJ-FUHWJXTLSA-N 1 3 318.461 2.640 20 0 DFADHO C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000296486216 427197115 /nfs/dbraw/zinc/19/71/15/427197115.db2.gz OLEWEPMVOPLLOD-GJZGRUSLSA-N 1 3 308.466 2.827 20 0 DFADHO CC(C)(O)CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285368416 427210569 /nfs/dbraw/zinc/21/05/69/427210569.db2.gz ATPJBSNWTBYEFG-LJQANCHMSA-N 1 3 302.462 2.745 20 0 DFADHO CC(C)(O)CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285368416 427210571 /nfs/dbraw/zinc/21/05/71/427210571.db2.gz ATPJBSNWTBYEFG-LJQANCHMSA-N 1 3 302.462 2.745 20 0 DFADHO CCCN[C@H](C)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000296532414 427212601 /nfs/dbraw/zinc/21/26/01/427212601.db2.gz SRQBRONOJYTGHT-OAHLLOKOSA-N 1 3 321.465 2.734 20 0 DFADHO Cn1c2ccccc2nc1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000285416700 427226039 /nfs/dbraw/zinc/22/60/39/427226039.db2.gz GHRRZMDEXJLVSQ-XYPWUTKMSA-N 1 3 312.461 2.673 20 0 DFADHO Cn1c2ccccc2nc1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000285416700 427226045 /nfs/dbraw/zinc/22/60/45/427226045.db2.gz GHRRZMDEXJLVSQ-XYPWUTKMSA-N 1 3 312.461 2.673 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000183345729 427250667 /nfs/dbraw/zinc/25/06/67/427250667.db2.gz LXXUNFUXYHJLLV-DOTOQJQBSA-N 1 3 306.450 2.847 20 0 DFADHO CN(CCCO)C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338309746 427253298 /nfs/dbraw/zinc/25/32/98/427253298.db2.gz WFCPZUDJPFRIKW-AWEZNQCLSA-N 1 3 304.425 2.591 20 0 DFADHO CN(C)CCN1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000285520901 427260256 /nfs/dbraw/zinc/26/02/56/427260256.db2.gz RSHMBVWPBHDSFH-UHFFFAOYSA-N 1 3 301.434 2.548 20 0 DFADHO C[C@@H]1C[N@H+](CCCNCc2cccc3[nH]ccc32)CCCO1 ZINC000277739081 427303396 /nfs/dbraw/zinc/30/33/96/427303396.db2.gz KARRSUZSFIVDJZ-OAHLLOKOSA-N 1 3 301.434 2.758 20 0 DFADHO C[C@@H]1C[N@@H+](CCCNCc2cccc3[nH]ccc32)CCCO1 ZINC000277739081 427303401 /nfs/dbraw/zinc/30/34/01/427303401.db2.gz KARRSUZSFIVDJZ-OAHLLOKOSA-N 1 3 301.434 2.758 20 0 DFADHO CC[C@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)N(CC)CC ZINC000261678869 427339254 /nfs/dbraw/zinc/33/92/54/427339254.db2.gz HDKMGTGICBKDRS-OAHLLOKOSA-N 1 3 307.413 2.530 20 0 DFADHO COCC(C)(C)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000293333384 427289237 /nfs/dbraw/zinc/28/92/37/427289237.db2.gz GEPRXQOEWOKGJT-HNNXBMFYSA-N 1 3 308.466 2.950 20 0 DFADHO CCO[C@@H]1C[C@H](NCc2cccc(C[NH+](C)C)c2)[C@H]1SC ZINC000297313121 427396400 /nfs/dbraw/zinc/39/64/00/427396400.db2.gz BWXIDTJWAIENJY-GVDBMIGSSA-N 1 3 308.491 2.747 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000262364207 427355769 /nfs/dbraw/zinc/35/57/69/427355769.db2.gz WTMWRTSGWPTUHF-OAHLLOKOSA-N 1 3 303.450 2.857 20 0 DFADHO COc1ccc2c(c1)C[C@@H](NC1CC[NH+](C3CCC3)CC1)CO2 ZINC000297645981 427418216 /nfs/dbraw/zinc/41/82/16/427418216.db2.gz JYUDWCDMFOHIJF-MRXNPFEDSA-N 1 3 316.445 2.605 20 0 DFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc1OC ZINC000293815209 427448366 /nfs/dbraw/zinc/44/83/66/427448366.db2.gz VTJQGOKTGYZFLS-RRFJBIMHSA-N 1 3 308.466 2.983 20 0 DFADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297480 427485060 /nfs/dbraw/zinc/48/50/60/427485060.db2.gz WNHZCXDALLDVPZ-HOTGVXAUSA-N 1 3 313.449 2.650 20 0 DFADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297480 427485067 /nfs/dbraw/zinc/48/50/67/427485067.db2.gz WNHZCXDALLDVPZ-HOTGVXAUSA-N 1 3 313.449 2.650 20 0 DFADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297480 427485077 /nfs/dbraw/zinc/48/50/77/427485077.db2.gz WNHZCXDALLDVPZ-HOTGVXAUSA-N 1 3 313.449 2.650 20 0 DFADHO CC(C)(CCC[NH3+])NC(=O)c1cccc(CN2CCCC2)c1 ZINC000293745732 427422179 /nfs/dbraw/zinc/42/21/79/427422179.db2.gz VLFLAFQOGYYCDJ-UHFFFAOYSA-N 1 3 303.450 2.530 20 0 DFADHO COC(=O)c1csc([C@H](C)NCCC2CC[NH+](C)CC2)c1 ZINC000286087121 427422679 /nfs/dbraw/zinc/42/26/79/427422679.db2.gz MODMTZQPAGLGLN-LBPRGKRZSA-N 1 3 310.463 2.917 20 0 DFADHO CCCCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286089102 427422758 /nfs/dbraw/zinc/42/27/58/427422758.db2.gz STDOSBGQZSJDCW-IBGZPJMESA-N 1 3 301.478 2.679 20 0 DFADHO CCCCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286089102 427422762 /nfs/dbraw/zinc/42/27/62/427422762.db2.gz STDOSBGQZSJDCW-IBGZPJMESA-N 1 3 301.478 2.679 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ccccc2F)C1 ZINC000293749550 427423908 /nfs/dbraw/zinc/42/39/08/427423908.db2.gz RFHKISSROWKPMY-AIANPOQGSA-N 1 3 305.441 2.723 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ccccc2F)C1 ZINC000293749550 427423918 /nfs/dbraw/zinc/42/39/18/427423918.db2.gz RFHKISSROWKPMY-AIANPOQGSA-N 1 3 305.441 2.723 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)[C@H]2C)C1 ZINC000293779568 427431838 /nfs/dbraw/zinc/43/18/38/427431838.db2.gz QBDWMIDZMICMHU-SXLOBPIMSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])N(C)Cc1ccccc1 ZINC000263185994 427432185 /nfs/dbraw/zinc/43/21/85/427432185.db2.gz HHHSNKFXVUFTEJ-HHXXYDBFSA-N 1 3 317.477 2.531 20 0 DFADHO CCN1CCN(CCC[NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000297698079 427432679 /nfs/dbraw/zinc/43/26/79/427432679.db2.gz QGZTZWTWJKMSTP-UHFFFAOYSA-N 1 3 315.505 2.724 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000338689025 427440458 /nfs/dbraw/zinc/44/04/58/427440458.db2.gz BIIIHQYFMQYDJA-RLLQIKCJSA-N 1 3 315.505 2.796 20 0 DFADHO CC(=O)Nc1cccc(C[N@@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000263664944 427533628 /nfs/dbraw/zinc/53/36/28/427533628.db2.gz FICDCBWIDKFWPP-UHFFFAOYSA-N 1 3 303.450 2.950 20 0 DFADHO CC(=O)Nc1cccc(C[N@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000263664944 427533635 /nfs/dbraw/zinc/53/36/35/427533635.db2.gz FICDCBWIDKFWPP-UHFFFAOYSA-N 1 3 303.450 2.950 20 0 DFADHO C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000192536432 427558879 /nfs/dbraw/zinc/55/88/79/427558879.db2.gz DGNUVCQUAIFKPL-NZSAHSFTSA-N 1 3 302.462 2.566 20 0 DFADHO CCOc1cc(C[NH2+]CCCC[NH+](C)C)cc(Cl)c1[O-] ZINC000298299809 427565045 /nfs/dbraw/zinc/56/50/45/427565045.db2.gz HNKHGMDCKBOKQS-UHFFFAOYSA-N 1 3 300.830 2.876 20 0 DFADHO CN(C[C@@H]1CCCCO1)[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC000338937899 427568141 /nfs/dbraw/zinc/56/81/41/427568141.db2.gz CPBRGMWGXPEWID-CEXWTWQISA-N 1 3 324.509 2.911 20 0 DFADHO CN(C[C@@H]1CCCCO1)[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC000338937899 427568147 /nfs/dbraw/zinc/56/81/47/427568147.db2.gz CPBRGMWGXPEWID-CEXWTWQISA-N 1 3 324.509 2.911 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000271538385 427578163 /nfs/dbraw/zinc/57/81/63/427578163.db2.gz YAUIZUDYHBQXBZ-HZPDHXFCSA-N 1 3 316.449 2.563 20 0 DFADHO C[C@H](Cn1cccn1)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000271538385 427578169 /nfs/dbraw/zinc/57/81/69/427578169.db2.gz YAUIZUDYHBQXBZ-HZPDHXFCSA-N 1 3 316.449 2.563 20 0 DFADHO C[C@@H]1[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000287408636 427602682 /nfs/dbraw/zinc/60/26/82/427602682.db2.gz RIHLFEMZNWGQSG-VBSBHUPXSA-N 1 3 313.489 2.866 20 0 DFADHO C[C@@H]1[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000287408636 427602689 /nfs/dbraw/zinc/60/26/89/427602689.db2.gz RIHLFEMZNWGQSG-VBSBHUPXSA-N 1 3 313.489 2.866 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@](C)(O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000185314056 427630987 /nfs/dbraw/zinc/63/09/87/427630987.db2.gz HVLOJKKSLFBSEQ-COXVUDFISA-N 1 3 310.869 2.867 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@](C)(O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000185314056 427630991 /nfs/dbraw/zinc/63/09/91/427630991.db2.gz HVLOJKKSLFBSEQ-COXVUDFISA-N 1 3 310.869 2.867 20 0 DFADHO COCCCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000193041623 427654732 /nfs/dbraw/zinc/65/47/32/427654732.db2.gz PQPLJFLLXDXWSU-AYHJJNSGSA-N 1 3 318.461 2.817 20 0 DFADHO COc1ccccc1C1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339068588 427658450 /nfs/dbraw/zinc/65/84/50/427658450.db2.gz RMIKZEVFRQBBKL-CVEARBPZSA-N 1 3 300.446 2.943 20 0 DFADHO COc1ccccc1C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339068588 427658457 /nfs/dbraw/zinc/65/84/57/427658457.db2.gz RMIKZEVFRQBBKL-CVEARBPZSA-N 1 3 300.446 2.943 20 0 DFADHO CCSc1cccc(C[NH2+]C[C@H](C)N2CCN(CC)CC2)c1 ZINC000185467130 427658636 /nfs/dbraw/zinc/65/86/36/427658636.db2.gz NQEUMFMZRURVOD-INIZCTEOSA-N 1 3 321.534 2.914 20 0 DFADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccncc2OCCN(C)C)C[C@@H]1C ZINC000342427329 272011284 /nfs/dbraw/zinc/01/12/84/272011284.db2.gz MILWBCBADRMQPV-VYDXJSESSA-N 1 3 305.466 2.936 20 0 DFADHO C[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)N1CCCCCC1 ZINC000342925981 272067151 /nfs/dbraw/zinc/06/71/51/272067151.db2.gz NFUFQLNZGZTJCL-MRXNPFEDSA-N 1 3 317.477 2.629 20 0 DFADHO CCN1C[C@H](C)[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000343164546 272092423 /nfs/dbraw/zinc/09/24/23/272092423.db2.gz WHBZKXIFOXTAOJ-FXAWDEMLSA-N 1 3 315.505 2.623 20 0 DFADHO c1ccc([C@@H]2OCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000343335240 272120847 /nfs/dbraw/zinc/12/08/47/272120847.db2.gz HWUKPECPGOSWPY-MKXGPGLRSA-N 1 3 300.446 2.981 20 0 DFADHO c1ccc([C@@H]2OCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000343335240 272120848 /nfs/dbraw/zinc/12/08/48/272120848.db2.gz HWUKPECPGOSWPY-MKXGPGLRSA-N 1 3 300.446 2.981 20 0 DFADHO CC(C)[NH+](CCCNC[C@@H]1CCO[C@@H]1c1ccnn1C)C(C)C ZINC000343351827 272125801 /nfs/dbraw/zinc/12/58/01/272125801.db2.gz DTTNWKFIPFVROO-WMZOPIPTSA-N 1 3 322.497 2.596 20 0 DFADHO C[N@@H+]1CC[C@@](O)(CN[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000343569501 272173627 /nfs/dbraw/zinc/17/36/27/272173627.db2.gz RXIZSXDZZVTMBW-VQTJNVASSA-N 1 3 310.441 2.627 20 0 DFADHO C[N@H+]1CC[C@@](O)(CN[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000343569501 272173628 /nfs/dbraw/zinc/17/36/28/272173628.db2.gz RXIZSXDZZVTMBW-VQTJNVASSA-N 1 3 310.441 2.627 20 0 DFADHO COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1Cl ZINC000295068177 427678332 /nfs/dbraw/zinc/67/83/32/427678332.db2.gz PZUPJMRHHZHWJG-CQSZACIVSA-N 1 3 324.852 2.900 20 0 DFADHO COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1Cl ZINC000295068177 427678337 /nfs/dbraw/zinc/67/83/37/427678337.db2.gz PZUPJMRHHZHWJG-CQSZACIVSA-N 1 3 324.852 2.900 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000343982074 272246823 /nfs/dbraw/zinc/24/68/23/272246823.db2.gz KTBGUTXHEDQGCO-HZPDHXFCSA-N 1 3 305.466 2.936 20 0 DFADHO CN(CCCN(C)Cc1sccc1Cl)CC[NH+](C)C ZINC000344092586 272262186 /nfs/dbraw/zinc/26/21/86/272262186.db2.gz VWRMJJYJUARYMQ-UHFFFAOYSA-N 1 3 303.903 2.717 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000152 272392212 /nfs/dbraw/zinc/39/22/12/272392212.db2.gz IVHOMMKBHUBHSP-MDMSPXHWSA-N 1 3 321.509 2.723 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000152 272392213 /nfs/dbraw/zinc/39/22/13/272392213.db2.gz IVHOMMKBHUBHSP-MDMSPXHWSA-N 1 3 321.509 2.723 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CO)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185755392 427700308 /nfs/dbraw/zinc/70/03/08/427700308.db2.gz WKHAYMOZQBXTQW-YJBOKZPZSA-N 1 3 302.462 2.922 20 0 DFADHO C[N@H+]1CC=C(CNCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000345182855 272423773 /nfs/dbraw/zinc/42/37/73/272423773.db2.gz HHSWHPPSXCFSQZ-UHFFFAOYSA-N 1 3 314.351 2.979 20 0 DFADHO C[N@@H+]1CC=C(CNCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000345182855 272423774 /nfs/dbraw/zinc/42/37/74/272423774.db2.gz HHSWHPPSXCFSQZ-UHFFFAOYSA-N 1 3 314.351 2.979 20 0 DFADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)C1CCN(CC(F)(F)F)CC1 ZINC000339162416 427711333 /nfs/dbraw/zinc/71/13/33/427711333.db2.gz BSBIKBXMLIKPKZ-UKRRQHHQSA-N 1 3 321.431 2.723 20 0 DFADHO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000339339234 427757492 /nfs/dbraw/zinc/75/74/92/427757492.db2.gz DZLWNOULQWAEIB-NVXWUHKLSA-N 1 3 308.466 2.740 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](N)CC1CCCCC1 ZINC000336863069 427765444 /nfs/dbraw/zinc/76/54/44/427765444.db2.gz HSJKAFZDYQQUJN-DOTOQJQBSA-N 1 3 311.514 2.911 20 0 DFADHO COc1ccc(CN(C[C@@H]2CCC[NH2+]C2)[C@H](CO)C(C)C)cc1 ZINC000339431723 427773823 /nfs/dbraw/zinc/77/38/23/427773823.db2.gz UUFWGADDRNARKK-IEBWSBKVSA-N 1 3 320.477 2.514 20 0 DFADHO COc1ccc(C[N@H+](C[C@@H]2CCCNC2)[C@H](CO)C(C)C)cc1 ZINC000339431723 427773825 /nfs/dbraw/zinc/77/38/25/427773825.db2.gz UUFWGADDRNARKK-IEBWSBKVSA-N 1 3 320.477 2.514 20 0 DFADHO COc1ccc(C[N@@H+](C[C@@H]2CCCNC2)[C@H](CO)C(C)C)cc1 ZINC000339431723 427773828 /nfs/dbraw/zinc/77/38/28/427773828.db2.gz UUFWGADDRNARKK-IEBWSBKVSA-N 1 3 320.477 2.514 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC[C@H](C)C1 ZINC000345657206 272512069 /nfs/dbraw/zinc/51/20/69/272512069.db2.gz VFUGDLBLFVBZDF-RCCFBDPRSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC[C@H](C)C1 ZINC000345657206 272512071 /nfs/dbraw/zinc/51/20/71/272512071.db2.gz VFUGDLBLFVBZDF-RCCFBDPRSA-N 1 3 323.525 2.687 20 0 DFADHO Cc1cc(Cl)cc(CNCCN2CCC([NH+](C)C)CC2)c1 ZINC000339293685 427752697 /nfs/dbraw/zinc/75/26/97/427752697.db2.gz PDYUGJDUVDQWJA-UHFFFAOYSA-N 1 3 309.885 2.764 20 0 DFADHO CC[C@H](Cn1cncn1)NCc1cccc(C[NH+](CC)CC)c1 ZINC000340477043 427857888 /nfs/dbraw/zinc/85/78/88/427857888.db2.gz WLMKHVNRXWSFQR-GOSISDBHSA-N 1 3 315.465 2.688 20 0 DFADHO COc1ccc(OCCC[N@H+](C)CCCN2CCCC2)cc1 ZINC000337218811 427817738 /nfs/dbraw/zinc/81/77/38/427817738.db2.gz CDEDBCJFWWAOIG-UHFFFAOYSA-N 1 3 306.450 2.882 20 0 DFADHO COc1ccc(OCCC[N@@H+](C)CCCN2CCCC2)cc1 ZINC000337218811 427817740 /nfs/dbraw/zinc/81/77/40/427817740.db2.gz CDEDBCJFWWAOIG-UHFFFAOYSA-N 1 3 306.450 2.882 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H]2Cc2ccccc2)CC1 ZINC000337257676 427826117 /nfs/dbraw/zinc/82/61/17/427826117.db2.gz UKSDCDGRMYEWPS-HXUWFJFHSA-N 1 3 315.505 2.720 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H]2Cc2ccccc2)CC1 ZINC000337257676 427826120 /nfs/dbraw/zinc/82/61/20/427826120.db2.gz UKSDCDGRMYEWPS-HXUWFJFHSA-N 1 3 315.505 2.720 20 0 DFADHO CCCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCC1 ZINC000345622998 427834809 /nfs/dbraw/zinc/83/48/09/427834809.db2.gz AABUHZNJZBRDQR-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000337311245 427836186 /nfs/dbraw/zinc/83/61/86/427836186.db2.gz CAUHMPZNMVVWJW-ZWKOTPCHSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000337311245 427836190 /nfs/dbraw/zinc/83/61/90/427836190.db2.gz CAUHMPZNMVVWJW-ZWKOTPCHSA-N 1 3 321.509 2.630 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H]1CCCOc2ccccc21 ZINC000349661522 427837783 /nfs/dbraw/zinc/83/77/83/427837783.db2.gz GFVWBMLMDMESJD-KRWDZBQOSA-N 1 3 306.450 2.848 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C[C@@H]1C ZINC000359408051 427839526 /nfs/dbraw/zinc/83/95/26/427839526.db2.gz JWPSYFHWKNUAHZ-FIDHJVLJSA-N 1 3 308.466 2.571 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000345657200 427848706 /nfs/dbraw/zinc/84/87/06/427848706.db2.gz VFUGDLBLFVBZDF-FGTMMUONSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000345657200 427848712 /nfs/dbraw/zinc/84/87/12/427848712.db2.gz VFUGDLBLFVBZDF-FGTMMUONSA-N 1 3 323.525 2.687 20 0 DFADHO CCc1c(C)[nH+]c2ccccc2c1N1CCO[C@H](CN(C)C)C1 ZINC000302055688 427849299 /nfs/dbraw/zinc/84/92/99/427849299.db2.gz QKLGJNYPZXRHBD-OAHLLOKOSA-N 1 3 313.445 2.872 20 0 DFADHO CC[C@H](NCC1(O)CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000359436690 427849501 /nfs/dbraw/zinc/84/95/01/427849501.db2.gz XSMUNYNEWMHFGL-AWEZNQCLSA-N 1 3 314.832 2.977 20 0 DFADHO c1ccc(CN2CCC[C@@H]([NH2+]C[C@H]3CCN(C4CC4)C3)C2)cc1 ZINC000302871495 427882394 /nfs/dbraw/zinc/88/23/94/427882394.db2.gz KSPTZZXKXIIEJF-RTBURBONSA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(CN2CCC[C@@H](NC[C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000302871495 427882411 /nfs/dbraw/zinc/88/24/11/427882411.db2.gz KSPTZZXKXIIEJF-RTBURBONSA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(CN2CCC[C@@H](NC[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000302871495 427882417 /nfs/dbraw/zinc/88/24/17/427882417.db2.gz KSPTZZXKXIIEJF-RTBURBONSA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(CN2CCC[C@H]([NH2+]C[C@H]3CCN(C4CC4)C3)C2)cc1 ZINC000302871494 427882590 /nfs/dbraw/zinc/88/25/90/427882590.db2.gz KSPTZZXKXIIEJF-MOPGFXCFSA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(CN2CCC[C@H](NC[C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000302871494 427882593 /nfs/dbraw/zinc/88/25/93/427882593.db2.gz KSPTZZXKXIIEJF-MOPGFXCFSA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(CN2CCC[C@H](NC[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000302871494 427882597 /nfs/dbraw/zinc/88/25/97/427882597.db2.gz KSPTZZXKXIIEJF-MOPGFXCFSA-N 1 3 313.489 2.725 20 0 DFADHO COc1cc(C)c(C[C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1OC ZINC000337395218 427884023 /nfs/dbraw/zinc/88/40/23/427884023.db2.gz BNTFZVJPKYTMQB-OAHLLOKOSA-N 1 3 318.461 2.795 20 0 DFADHO Cc1cc(C[N@@H+](C)CCCN2CCN(C(C)C)CC2)ccc1F ZINC000337403924 427890455 /nfs/dbraw/zinc/89/04/55/427890455.db2.gz IMIHTQRQBIBQFN-UHFFFAOYSA-N 1 3 321.484 2.982 20 0 DFADHO Cc1cc(C[N@H+](C)CCCN2CCN(C(C)C)CC2)ccc1F ZINC000337403924 427890458 /nfs/dbraw/zinc/89/04/58/427890458.db2.gz IMIHTQRQBIBQFN-UHFFFAOYSA-N 1 3 321.484 2.982 20 0 DFADHO CCC[C@H](C(=O)NC[C@@H]([NH2+][C@H](C)CC)c1ccco1)N(C)C ZINC000359551139 427904533 /nfs/dbraw/zinc/90/45/33/427904533.db2.gz ZMWSGOVNSLUNGG-RBSFLKMASA-N 1 3 309.454 2.555 20 0 DFADHO CCC[C@H](C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1)[NH+](C)C ZINC000359551139 427904537 /nfs/dbraw/zinc/90/45/37/427904537.db2.gz ZMWSGOVNSLUNGG-RBSFLKMASA-N 1 3 309.454 2.555 20 0 DFADHO C[C@H](CC1CCOCC1)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000349971454 427912818 /nfs/dbraw/zinc/91/28/18/427912818.db2.gz JQFRLEONTAYULE-QXCFHYIPSA-N 1 3 324.509 2.623 20 0 DFADHO C[C@H](CC1CCOCC1)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000349971452 427912857 /nfs/dbraw/zinc/91/28/57/427912857.db2.gz JQFRLEONTAYULE-NXWXRZEISA-N 1 3 324.509 2.623 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)CCCC(F)(F)F)CC1 ZINC000359670248 427965692 /nfs/dbraw/zinc/96/56/92/427965692.db2.gz DJAFNAYNNFUNJH-AWEZNQCLSA-N 1 3 309.420 2.725 20 0 DFADHO CCCC[C@H](C)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000337485325 427927480 /nfs/dbraw/zinc/92/74/80/427927480.db2.gz YUCLZOCBAVEVEM-IRXDYDNUSA-N 1 3 311.514 2.687 20 0 DFADHO CCCC[C@H](C)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000337485325 427927486 /nfs/dbraw/zinc/92/74/86/427927486.db2.gz YUCLZOCBAVEVEM-IRXDYDNUSA-N 1 3 311.514 2.687 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccccc2N(C)C)C[C@H](C)O1 ZINC000340175810 427946168 /nfs/dbraw/zinc/94/61/68/427946168.db2.gz QADANHWUCAXMEC-IRXDYDNUSA-N 1 3 319.493 2.732 20 0 DFADHO CCN1CCC([NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000340181206 427947646 /nfs/dbraw/zinc/94/76/46/427947646.db2.gz MWKLCNHYTLPIFA-RTBURBONSA-N 1 3 301.478 2.896 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000340188863 427949552 /nfs/dbraw/zinc/94/95/52/427949552.db2.gz QNRKMVFADNEHJW-NZSAHSFTSA-N 1 3 301.478 2.753 20 0 DFADHO C[C@@H](CN1CCCCC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000359845955 428043835 /nfs/dbraw/zinc/04/38/35/428043835.db2.gz CJILJGOQTIMTJZ-IRXDYDNUSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H](CN1CCCCC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359845955 428043839 /nfs/dbraw/zinc/04/38/39/428043839.db2.gz CJILJGOQTIMTJZ-IRXDYDNUSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](Cc1nc(-c2ccccc2)no1)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000359884528 428059760 /nfs/dbraw/zinc/05/97/60/428059760.db2.gz YMVVXGFJUPMEGB-FMKPAKJESA-N 1 3 314.433 2.740 20 0 DFADHO C[C@H](Cc1nc(-c2ccccc2)no1)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000359884528 428059768 /nfs/dbraw/zinc/05/97/68/428059768.db2.gz YMVVXGFJUPMEGB-FMKPAKJESA-N 1 3 314.433 2.740 20 0 DFADHO C[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(F)c2ccccc21 ZINC000340357740 427998866 /nfs/dbraw/zinc/99/88/66/427998866.db2.gz IDUSFJLXWHYDPE-SCLBCKFNSA-N 1 3 302.393 2.696 20 0 DFADHO C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(F)c2ccccc21 ZINC000340357740 427998868 /nfs/dbraw/zinc/99/88/68/427998868.db2.gz IDUSFJLXWHYDPE-SCLBCKFNSA-N 1 3 302.393 2.696 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000359767866 428010516 /nfs/dbraw/zinc/01/05/16/428010516.db2.gz VYTBORUNSUZFMX-HNNXBMFYSA-N 1 3 305.466 2.598 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000359767866 428010520 /nfs/dbraw/zinc/01/05/20/428010520.db2.gz VYTBORUNSUZFMX-HNNXBMFYSA-N 1 3 305.466 2.598 20 0 DFADHO CCc1noc(C2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)n1 ZINC000369834751 428072363 /nfs/dbraw/zinc/07/23/63/428072363.db2.gz LGFYCBJEVNMUTR-SSHXOBKSSA-N 1 3 318.465 2.875 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCSC2)CC1 ZINC000346217125 428075655 /nfs/dbraw/zinc/07/56/55/428075655.db2.gz XNEBJBPJGGXJCP-QGZVFWFLSA-N 1 3 319.518 2.814 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)N[C@H](C)CN(C)C)cc1)C(C)C ZINC000346221485 428078134 /nfs/dbraw/zinc/07/81/34/428078134.db2.gz LTKCPEBNIVVNKZ-OAHLLOKOSA-N 1 3 305.466 2.597 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)CN(C)C)cc1)C(C)C ZINC000346221485 428078138 /nfs/dbraw/zinc/07/81/38/428078138.db2.gz LTKCPEBNIVVNKZ-OAHLLOKOSA-N 1 3 305.466 2.597 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N(CCN(C)C)C2CC2)cc1 ZINC000356289536 428108308 /nfs/dbraw/zinc/10/83/08/428108308.db2.gz LQUSUHSKHHVWBZ-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO CSc1ccc(CN(C)CCC[N@H+](C)CCN(C)C)s1 ZINC000356348570 428136521 /nfs/dbraw/zinc/13/65/21/428136521.db2.gz VVVCTBTUCJPLAV-UHFFFAOYSA-N 1 3 315.552 2.785 20 0 DFADHO CSc1ccc(CN(C)CCC[N@@H+](C)CCN(C)C)s1 ZINC000356348570 428136524 /nfs/dbraw/zinc/13/65/24/428136524.db2.gz VVVCTBTUCJPLAV-UHFFFAOYSA-N 1 3 315.552 2.785 20 0 DFADHO CCN(CCN1CCCCCC1)C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000346356494 428140047 /nfs/dbraw/zinc/14/00/47/428140047.db2.gz UZJKXJIINGLJHY-INIZCTEOSA-N 1 3 311.514 2.878 20 0 DFADHO Cn1cnc2cc(CN(CCC[NH3+])CC3CCCC3)ccc21 ZINC000352546756 428143850 /nfs/dbraw/zinc/14/38/50/428143850.db2.gz ZUHNTNHRJCMKQL-UHFFFAOYSA-N 1 3 300.450 2.914 20 0 DFADHO Cn1cnc2cc(C[N@H+](CCCN)CC3CCCC3)ccc21 ZINC000352546756 428143854 /nfs/dbraw/zinc/14/38/54/428143854.db2.gz ZUHNTNHRJCMKQL-UHFFFAOYSA-N 1 3 300.450 2.914 20 0 DFADHO Cn1cnc2cc(C[N@@H+](CCCN)CC3CCCC3)ccc21 ZINC000352546756 428143857 /nfs/dbraw/zinc/14/38/57/428143857.db2.gz ZUHNTNHRJCMKQL-UHFFFAOYSA-N 1 3 300.450 2.914 20 0 DFADHO CSC1(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000377540866 428153103 /nfs/dbraw/zinc/15/31/03/428153103.db2.gz KNKLTYPSVMKOMD-HUUCEWRRSA-N 1 3 312.523 2.703 20 0 DFADHO COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc(OC)c1 ZINC000377634277 428179756 /nfs/dbraw/zinc/17/97/56/428179756.db2.gz ZCTMADDVUAPABN-XYPWUTKMSA-N 1 3 304.434 2.761 20 0 DFADHO COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc(OC)c1 ZINC000377634277 428179760 /nfs/dbraw/zinc/17/97/60/428179760.db2.gz ZCTMADDVUAPABN-XYPWUTKMSA-N 1 3 304.434 2.761 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCN(CC(C)C)C2)cn1 ZINC000414097465 428206947 /nfs/dbraw/zinc/20/69/47/428206947.db2.gz JCCQGVWQDSNWIC-FUHWJXTLSA-N 1 3 319.493 2.979 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000414097465 428206951 /nfs/dbraw/zinc/20/69/51/428206951.db2.gz JCCQGVWQDSNWIC-FUHWJXTLSA-N 1 3 319.493 2.979 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000414097465 428206957 /nfs/dbraw/zinc/20/69/57/428206957.db2.gz JCCQGVWQDSNWIC-FUHWJXTLSA-N 1 3 319.493 2.979 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000377723346 428208532 /nfs/dbraw/zinc/20/85/32/428208532.db2.gz NEUZNUPYPRCJBV-SZMVWBNQSA-N 1 3 322.880 2.832 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000377723346 428208536 /nfs/dbraw/zinc/20/85/36/428208536.db2.gz NEUZNUPYPRCJBV-SZMVWBNQSA-N 1 3 322.880 2.832 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000377723346 428208543 /nfs/dbraw/zinc/20/85/43/428208543.db2.gz NEUZNUPYPRCJBV-SZMVWBNQSA-N 1 3 322.880 2.832 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000377723346 428208546 /nfs/dbraw/zinc/20/85/46/428208546.db2.gz NEUZNUPYPRCJBV-SZMVWBNQSA-N 1 3 322.880 2.832 20 0 DFADHO COc1ccc(C[C@@H](C)NC2CC([NH+]3CCCCC3)C2)cn1 ZINC000414152516 428219906 /nfs/dbraw/zinc/21/99/06/428219906.db2.gz QJMFWJAOSLYTDY-ODIFPOPNSA-N 1 3 303.450 2.628 20 0 DFADHO C[NH+](C)C1(CNC(=O)[C@H](C2CC2)N2CCCC2)CCCCCC1 ZINC000352737362 428226205 /nfs/dbraw/zinc/22/62/05/428226205.db2.gz UJTXDKXNNLZEDE-KRWDZBQOSA-N 1 3 321.509 2.632 20 0 DFADHO CCOC1CC(O)(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000370526110 428230191 /nfs/dbraw/zinc/23/01/91/428230191.db2.gz IMUQCFNYOQVIAW-WEOZKBJRSA-N 1 3 324.509 2.549 20 0 DFADHO CCOC1CC(O)(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000370526110 428230194 /nfs/dbraw/zinc/23/01/94/428230194.db2.gz IMUQCFNYOQVIAW-WEOZKBJRSA-N 1 3 324.509 2.549 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000341863267 428232198 /nfs/dbraw/zinc/23/21/98/428232198.db2.gz NGVNSWDRLRJIGB-IXDOHACOSA-N 1 3 311.514 2.876 20 0 DFADHO CC[C@H](C)[C@@H](C)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000356498856 428205060 /nfs/dbraw/zinc/20/50/60/428205060.db2.gz ACQPWVPBVTUEHC-BBWFWOEESA-N 1 3 311.514 2.543 20 0 DFADHO CC[C@H](C)[C@@H](C)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000356498856 428205066 /nfs/dbraw/zinc/20/50/66/428205066.db2.gz ACQPWVPBVTUEHC-BBWFWOEESA-N 1 3 311.514 2.543 20 0 DFADHO Cn1cc(CN2CCC(C[NH3+])CC2)c(-c2ccccc2Cl)n1 ZINC000346670437 428265590 /nfs/dbraw/zinc/26/55/90/428265590.db2.gz UYJHVVHEXNVLLD-UHFFFAOYSA-N 1 3 318.852 2.911 20 0 DFADHO Cc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)s1 ZINC000370712005 428280209 /nfs/dbraw/zinc/28/02/09/428280209.db2.gz YZOYOZMFUZQYTP-RHSMWYFYSA-N 1 3 307.507 2.514 20 0 DFADHO Cc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)s1 ZINC000370712004 428282147 /nfs/dbraw/zinc/28/21/47/428282147.db2.gz YZOYOZMFUZQYTP-PBHICJAKSA-N 1 3 307.507 2.514 20 0 DFADHO Cc1ccccc1CN1CCC([NH2+][C@@H]2CCN(C)C[C@H]2C)CC1 ZINC000360415045 428290014 /nfs/dbraw/zinc/29/00/14/428290014.db2.gz VASHGEKKWPVYML-YLJYHZDGSA-N 1 3 315.505 2.889 20 0 DFADHO CN1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)[C@@H]2CCC[C@H]21 ZINC000370583278 428245603 /nfs/dbraw/zinc/24/56/03/428245603.db2.gz IVRFQTHUKAYLHF-SOUVJXGZSA-N 1 3 309.841 2.576 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOc2ccc(Cl)cn2)[C@@H]2CCC[C@H]21 ZINC000370583278 428245608 /nfs/dbraw/zinc/24/56/08/428245608.db2.gz IVRFQTHUKAYLHF-SOUVJXGZSA-N 1 3 309.841 2.576 20 0 DFADHO C[N@H+]1CC[C@H](NCCOc2ccc(Cl)cn2)[C@@H]2CCC[C@H]21 ZINC000370583278 428245612 /nfs/dbraw/zinc/24/56/12/428245612.db2.gz IVRFQTHUKAYLHF-SOUVJXGZSA-N 1 3 309.841 2.576 20 0 DFADHO C[C@@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1F ZINC000370624819 428257374 /nfs/dbraw/zinc/25/73/74/428257374.db2.gz QBDLXNOYFMJQOT-UKRRQHHQSA-N 1 3 323.431 2.784 20 0 DFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000370637666 428259928 /nfs/dbraw/zinc/25/99/28/428259928.db2.gz VNYHSZXXYMEGEO-AEFFLSMTSA-N 1 3 301.478 2.814 20 0 DFADHO C[C@@H](O)CCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352813494 428260142 /nfs/dbraw/zinc/26/01/42/428260142.db2.gz BTEZGRNWRXFXSJ-MJGOQNOKSA-N 1 3 302.462 2.745 20 0 DFADHO C[C@@H](O)CCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352813494 428260148 /nfs/dbraw/zinc/26/01/48/428260148.db2.gz BTEZGRNWRXFXSJ-MJGOQNOKSA-N 1 3 302.462 2.745 20 0 DFADHO CCN1CC[C@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@H](C)C1 ZINC000378168767 428325522 /nfs/dbraw/zinc/32/55/22/428325522.db2.gz MGUJWKYBKFBHJX-QAPCUYQASA-N 1 3 316.493 2.679 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(OCC(F)F)cc3)C[C@H]21 ZINC000346813222 428327823 /nfs/dbraw/zinc/32/78/23/428327823.db2.gz ADAMEXVPOWTHQE-NUEKZKHPSA-N 1 3 310.388 2.890 20 0 DFADHO Cn1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2cccs2)n1 ZINC000346824061 428331253 /nfs/dbraw/zinc/33/12/53/428331253.db2.gz KWIOQPTWQGRQHE-NWANDNLSSA-N 1 3 316.474 2.708 20 0 DFADHO C[C@@H]1C[C@H](O)CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000414527274 428331338 /nfs/dbraw/zinc/33/13/38/428331338.db2.gz QWCOVMVJADQTJT-AEFFLSMTSA-N 1 3 304.478 2.847 20 0 DFADHO C[C@@H]1C[C@H](O)CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000414527274 428331341 /nfs/dbraw/zinc/33/13/41/428331341.db2.gz QWCOVMVJADQTJT-AEFFLSMTSA-N 1 3 304.478 2.847 20 0 DFADHO Cc1cccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000346833667 428336637 /nfs/dbraw/zinc/33/66/37/428336637.db2.gz MHKNMESRVSTDCX-JQHSSLGASA-N 1 3 310.445 2.944 20 0 DFADHO C[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@H]1CCCOC1 ZINC000356857475 428340144 /nfs/dbraw/zinc/34/01/44/428340144.db2.gz XCEUJDIJXCNMAI-WBVHZDCISA-N 1 3 306.450 2.532 20 0 DFADHO CC[C@H](C)C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414560675 428340502 /nfs/dbraw/zinc/34/05/02/428340502.db2.gz XLJDWOBUHZEFPK-HNNXBMFYSA-N 1 3 317.477 2.520 20 0 DFADHO CCOCc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346844748 428342717 /nfs/dbraw/zinc/34/27/17/428342717.db2.gz JWHIPOSZAJCDDH-RYQLBKOJSA-N 1 3 318.461 2.791 20 0 DFADHO CC(C)CSCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000378248770 428346312 /nfs/dbraw/zinc/34/63/12/428346312.db2.gz ZXGRQFAXQHESDA-YESZJQIVSA-N 1 3 314.539 2.949 20 0 DFADHO CC1(C)CN(C[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000346855563 428347893 /nfs/dbraw/zinc/34/78/93/428347893.db2.gz ODZPGKGGYCTGDC-GOSISDBHSA-N 1 3 301.478 2.582 20 0 DFADHO CC[NH+]1CCC(NC[C@](CC)(C(=O)OC)c2ccccc2)CC1 ZINC000414574974 428348470 /nfs/dbraw/zinc/34/84/70/428348470.db2.gz BNRVNPWGOUGEHC-IBGZPJMESA-N 1 3 318.461 2.581 20 0 DFADHO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1cccc(OCCN(C)C)c1 ZINC000346877016 428354899 /nfs/dbraw/zinc/35/48/99/428354899.db2.gz RONJPKVFPYJJKM-CVEARBPZSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@@H]1C[C@@H](CN2CCNC[C@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000414739236 428390761 /nfs/dbraw/zinc/39/07/61/428390761.db2.gz PWQQDGLNJVBZAG-KEYYUXOJSA-N 1 3 307.869 2.674 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCc4nccn4C3)CC2)C1 ZINC000371482575 428392111 /nfs/dbraw/zinc/39/21/11/428392111.db2.gz YZVTUKNCEDUYRH-BPQIPLTHSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCc4nccn4C3)CC2)C1 ZINC000371482575 428392117 /nfs/dbraw/zinc/39/21/17/428392117.db2.gz YZVTUKNCEDUYRH-BPQIPLTHSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCC[C@H]1CN ZINC000414794903 428414004 /nfs/dbraw/zinc/41/40/04/428414004.db2.gz GDJGWKBMGNUTEL-XUJVJEKNSA-N 1 3 309.841 2.774 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@H]1CCC[C@H]1C[NH3+] ZINC000414794903 428414007 /nfs/dbraw/zinc/41/40/07/428414007.db2.gz GDJGWKBMGNUTEL-XUJVJEKNSA-N 1 3 309.841 2.774 20 0 DFADHO C[C@H](C(=O)NCCCCC[NH+]1CCCC1)N1CCCCCC1 ZINC000357109554 428393230 /nfs/dbraw/zinc/39/32/30/428393230.db2.gz IXWPGRXQBGYXHA-QGZVFWFLSA-N 1 3 309.498 2.633 20 0 DFADHO c1nc([C@@H]2CCCO2)sc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773079 428401036 /nfs/dbraw/zinc/40/10/36/428401036.db2.gz CTYDDMYRJAPCLL-YCPHGPKFSA-N 1 3 321.490 2.816 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NC2CC[NH2+]CC2)cc1Cl ZINC000414785677 428407017 /nfs/dbraw/zinc/40/70/17/428407017.db2.gz VWSREHRPHJSOSQ-GFCCVEGCSA-N 1 3 309.841 2.707 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CCNCC2)cc1Cl ZINC000414785677 428407024 /nfs/dbraw/zinc/40/70/24/428407024.db2.gz VWSREHRPHJSOSQ-GFCCVEGCSA-N 1 3 309.841 2.707 20 0 DFADHO c1[nH]c(-c2ccccc2)nc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789269 428410352 /nfs/dbraw/zinc/41/03/52/428410352.db2.gz YHKNACVJYJHUHW-IAGOWNOFSA-N 1 3 310.445 2.898 20 0 DFADHO COc1cc2c(c(CN3CCC([C@@H](C)[NH3+])CC3)c1)O[C@@H](C)C2 ZINC000347025427 428411656 /nfs/dbraw/zinc/41/16/56/428411656.db2.gz SDTRBBLZWZNQTB-QWHCGFSZSA-N 1 3 304.434 2.578 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000347026994 428412947 /nfs/dbraw/zinc/41/29/47/428412947.db2.gz QNYPSZGVNZKXSZ-QKPAOTATSA-N 1 3 311.514 2.636 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000414794901 428413429 /nfs/dbraw/zinc/41/34/29/428413429.db2.gz GDJGWKBMGNUTEL-LALPHHSUSA-N 1 3 309.841 2.774 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000414794901 428413436 /nfs/dbraw/zinc/41/34/36/428413436.db2.gz GDJGWKBMGNUTEL-LALPHHSUSA-N 1 3 309.841 2.774 20 0 DFADHO CCc1ccccc1NC(=O)CN(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414674782 428371390 /nfs/dbraw/zinc/37/13/90/428371390.db2.gz FDOHMAPNCBTVSJ-CABCVRRESA-N 1 3 303.450 2.507 20 0 DFADHO C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414682801 428373007 /nfs/dbraw/zinc/37/30/07/428373007.db2.gz YYTFGZBWNCGFTP-KGLIPLIRSA-N 1 3 323.868 2.530 20 0 DFADHO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414682801 428373015 /nfs/dbraw/zinc/37/30/15/428373015.db2.gz YYTFGZBWNCGFTP-KGLIPLIRSA-N 1 3 323.868 2.530 20 0 DFADHO Cn1c(CNCC[C@H]2CCC[NH2+]C2)nc2cc(Cl)ccc21 ZINC000414844934 428433529 /nfs/dbraw/zinc/43/35/29/428433529.db2.gz RVIWHELKMLNNSO-GFCCVEGCSA-N 1 3 306.841 2.706 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@@H](N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000414847710 428434000 /nfs/dbraw/zinc/43/40/00/428434000.db2.gz FXZAFIFUGAEEOB-QFHJOOASSA-N 1 3 301.478 2.800 20 0 DFADHO [NH3+]C1(CNC2CCN(Cc3ccncc3)CC2)CCCCCC1 ZINC000414861864 428436809 /nfs/dbraw/zinc/43/68/09/428436809.db2.gz TYYNPVJWTXNKAH-UHFFFAOYSA-N 1 3 316.493 2.687 20 0 DFADHO NC1(C[NH2+]C2CCN(Cc3ccncc3)CC2)CCCCCC1 ZINC000414861864 428436814 /nfs/dbraw/zinc/43/68/14/428436814.db2.gz TYYNPVJWTXNKAH-UHFFFAOYSA-N 1 3 316.493 2.687 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000357221101 428440681 /nfs/dbraw/zinc/44/06/81/428440681.db2.gz QMJFTFXXQSTSFO-KZNAEPCWSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000357221101 428440685 /nfs/dbraw/zinc/44/06/85/428440685.db2.gz QMJFTFXXQSTSFO-KZNAEPCWSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@H]([NH3+])C1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000347094549 428441605 /nfs/dbraw/zinc/44/16/05/428441605.db2.gz HNPQFSQRDVLQRP-LBPRGKRZSA-N 1 3 302.447 2.764 20 0 DFADHO C[C@H](Cc1ccc(Br)c(F)c1)NC[C@@H]([NH3+])C1CC1 ZINC000414883306 428445388 /nfs/dbraw/zinc/44/53/88/428445388.db2.gz DIURWZJNOUKGPD-YMTOWFKASA-N 1 3 315.230 2.846 20 0 DFADHO C[C@H](CC[NH3+])NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414895146 428449173 /nfs/dbraw/zinc/44/91/73/428449173.db2.gz MLEJKEQCOJYIMH-OAHLLOKOSA-N 1 3 321.428 2.761 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379644471 428452400 /nfs/dbraw/zinc/45/24/00/428452400.db2.gz CIAWWLQWKFCLFH-RYQLBKOJSA-N 1 3 317.477 2.529 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379644468 428452419 /nfs/dbraw/zinc/45/24/19/428452419.db2.gz CIAWWLQWKFCLFH-BPQIPLTHSA-N 1 3 317.477 2.529 20 0 DFADHO CC1(C)CC[C@H]([NH2+]C[C@@H](O)CN2CCCC2)c2ccccc21 ZINC000360834574 428457117 /nfs/dbraw/zinc/45/71/17/428457117.db2.gz JBCSYFRGSXSYCJ-QAPCUYQASA-N 1 3 302.462 2.845 20 0 DFADHO COc1ccc2c(c1)CC[N@@H+](CCCN1CCCCC1)CC2 ZINC000372549057 428461772 /nfs/dbraw/zinc/46/17/72/428461772.db2.gz XCCPTQPZYQXWOM-UHFFFAOYSA-N 1 3 302.462 2.972 20 0 DFADHO COc1ccc2c(c1)CC[N@H+](CCCN1CCCCC1)CC2 ZINC000372549057 428461776 /nfs/dbraw/zinc/46/17/76/428461776.db2.gz XCCPTQPZYQXWOM-UHFFFAOYSA-N 1 3 302.462 2.972 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H]2CN)c(C)c1 ZINC000414798473 428415395 /nfs/dbraw/zinc/41/53/95/428415395.db2.gz JGGNCSQPHHJSHV-UXLLHSPISA-N 1 3 303.450 2.738 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000414798473 428415399 /nfs/dbraw/zinc/41/53/99/428415399.db2.gz JGGNCSQPHHJSHV-UXLLHSPISA-N 1 3 303.450 2.738 20 0 DFADHO CC(C)c1ccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])C2CC2)cc1 ZINC000414797365 428415507 /nfs/dbraw/zinc/41/55/07/428415507.db2.gz IOGOOVZVCRNRTM-SUMWQHHRSA-N 1 3 303.450 2.854 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(-n2ccnc2)c(F)c1 ZINC000414804234 428416054 /nfs/dbraw/zinc/41/60/54/428416054.db2.gz OKZCLFURZAXTBG-GDBMZVCRSA-N 1 3 302.397 2.619 20 0 DFADHO C[C@H](Cc1ccc(Br)c(F)c1)NCC[C@H](C)[NH3+] ZINC000414819841 428421689 /nfs/dbraw/zinc/42/16/89/428421689.db2.gz IKAZPCGZDSPURG-VHSXEESVSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[C@H](C)N ZINC000414819841 428421693 /nfs/dbraw/zinc/42/16/93/428421693.db2.gz IKAZPCGZDSPURG-VHSXEESVSA-N 1 3 303.219 2.846 20 0 DFADHO COc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000414814172 428421739 /nfs/dbraw/zinc/42/17/39/428421739.db2.gz ZBKWFCXIZVTWKV-OLZOCXBDSA-N 1 3 314.376 2.904 20 0 DFADHO COc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000414814170 428421868 /nfs/dbraw/zinc/42/18/68/428421868.db2.gz ZBKWFCXIZVTWKV-CHWSQXEVSA-N 1 3 314.376 2.904 20 0 DFADHO COc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc(OC)c1O ZINC000414817805 428421951 /nfs/dbraw/zinc/42/19/51/428421951.db2.gz TXNZNMNYHHCMOF-GFCCVEGCSA-N 1 3 316.401 2.719 20 0 DFADHO CCOC(=O)[C@@H](CC)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378540902 428424038 /nfs/dbraw/zinc/42/40/38/428424038.db2.gz QZXKBEGGMUSTLM-QGZVFWFLSA-N 1 3 319.449 2.572 20 0 DFADHO CSC1(C[NH2+]Cc2cnc3cc(C)ccn23)CCN(C)CC1 ZINC000353193017 428425629 /nfs/dbraw/zinc/42/56/29/428425629.db2.gz NIXJDCICGWPVRH-UHFFFAOYSA-N 1 3 318.490 2.560 20 0 DFADHO CSC1(CNCc2cnc3cc(C)ccn23)CC[NH+](C)CC1 ZINC000353193017 428425633 /nfs/dbraw/zinc/42/56/33/428425633.db2.gz NIXJDCICGWPVRH-UHFFFAOYSA-N 1 3 318.490 2.560 20 0 DFADHO Fc1cc(Br)ccc1CNCC[C@H]1CC[NH2+]C1 ZINC000414829951 428426572 /nfs/dbraw/zinc/42/65/72/428426572.db2.gz LKAAUXDLSPOPPM-SNVBAGLBSA-N 1 3 301.203 2.677 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@H](C[NH3+])CC(C)C ZINC000414835783 428426835 /nfs/dbraw/zinc/42/68/35/428426835.db2.gz HUQLEIGGZSDTSW-HOCLYGCPSA-N 1 3 305.466 2.929 20 0 DFADHO CN(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360758269 428427257 /nfs/dbraw/zinc/42/72/57/428427257.db2.gz GCKRYMIMYZFUFM-LFGUQSLTSA-N 1 3 313.489 2.821 20 0 DFADHO CN(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360758269 428427263 /nfs/dbraw/zinc/42/72/63/428427263.db2.gz GCKRYMIMYZFUFM-LFGUQSLTSA-N 1 3 313.489 2.821 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414829872 428427759 /nfs/dbraw/zinc/42/77/59/428427759.db2.gz BOWVPIVVNKDZIA-GHMZBOCLSA-N 1 3 317.246 2.964 20 0 DFADHO CNC[C@H](C)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414840793 428431402 /nfs/dbraw/zinc/43/14/02/428431402.db2.gz NKIXAMQRYBAQIR-AWEZNQCLSA-N 1 3 309.885 2.750 20 0 DFADHO C[NH2+]C[C@H](C)CNC1CCN(Cc2ccccc2Cl)CC1 ZINC000414840793 428431407 /nfs/dbraw/zinc/43/14/07/428431407.db2.gz NKIXAMQRYBAQIR-AWEZNQCLSA-N 1 3 309.885 2.750 20 0 DFADHO CN1CC=C(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000392201800 428480882 /nfs/dbraw/zinc/48/08/82/428480882.db2.gz JOGUESHMPXDKFH-HOTGVXAUSA-N 1 3 323.481 2.531 20 0 DFADHO Cc1ncc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)n1-c1ccccc1 ZINC000415010773 428488877 /nfs/dbraw/zinc/48/88/77/428488877.db2.gz PVEVPSOEADMXKG-RBUKOAKNSA-N 1 3 310.445 2.658 20 0 DFADHO COc1ccc([C@H](C)C[NH+]2CCC(N(C)C[C@H](C)O)CC2)cc1 ZINC000342919311 428490640 /nfs/dbraw/zinc/49/06/40/428490640.db2.gz UCDJGASLHKXKLE-CVEARBPZSA-N 1 3 320.477 2.576 20 0 DFADHO c1nn(Cc2ccccc2)cc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347200661 428492447 /nfs/dbraw/zinc/49/24/47/428492447.db2.gz JWZDPSOZBFRXGJ-FQEVSTJZSA-N 1 3 324.472 2.895 20 0 DFADHO [NH3+]C[C@H]1CC[C@H](NCc2c(F)cccc2Br)C1 ZINC000415029975 428493630 /nfs/dbraw/zinc/49/36/30/428493630.db2.gz FJDRAXZPWRRCCV-UWVGGRQHSA-N 1 3 301.203 2.805 20 0 DFADHO Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CNCCCO1 ZINC000415046234 428497451 /nfs/dbraw/zinc/49/74/51/428497451.db2.gz URUQTFAHDAYJMG-KMFMINBZSA-N 1 3 308.853 2.944 20 0 DFADHO Clc1ccccc1[C@@H]1CCC[C@@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000415046234 428497463 /nfs/dbraw/zinc/49/74/63/428497463.db2.gz URUQTFAHDAYJMG-KMFMINBZSA-N 1 3 308.853 2.944 20 0 DFADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CNCCCO1 ZINC000415044583 428498207 /nfs/dbraw/zinc/49/82/07/428498207.db2.gz SFXSYKYEYQFFRB-WFASDCNBSA-N 1 3 316.367 2.605 20 0 DFADHO C[C@@H]1C[N@@H+]([C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[C@@]1(C)CN ZINC000415057242 428502642 /nfs/dbraw/zinc/50/26/42/428502642.db2.gz PKTLMSKFYZUZEX-IZBJGVDFSA-N 1 3 315.505 2.956 20 0 DFADHO C[C@@H]1C[N@H+]([C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[C@@]1(C)CN ZINC000415057242 428502647 /nfs/dbraw/zinc/50/26/47/428502647.db2.gz PKTLMSKFYZUZEX-IZBJGVDFSA-N 1 3 315.505 2.956 20 0 DFADHO COc1cccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000415066253 428507791 /nfs/dbraw/zinc/50/77/91/428507791.db2.gz OGFKHZJAIJXMBR-GUYCJALGSA-N 1 3 319.449 2.519 20 0 DFADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000397338211 428509778 /nfs/dbraw/zinc/50/97/78/428509778.db2.gz CLDUSZJNSPYPAX-RDBSUJKOSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1CN ZINC000397338211 428509783 /nfs/dbraw/zinc/50/97/83/428509783.db2.gz CLDUSZJNSPYPAX-RDBSUJKOSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1CN ZINC000397338211 428509794 /nfs/dbraw/zinc/50/97/94/428509794.db2.gz CLDUSZJNSPYPAX-RDBSUJKOSA-N 1 3 323.868 2.974 20 0 DFADHO c1nn(-c2ccccc2)cc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415078765 428513219 /nfs/dbraw/zinc/51/32/19/428513219.db2.gz GYEZOCOROHDESQ-XUVXKRRUSA-N 1 3 324.472 2.925 20 0 DFADHO CC(C)[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000415081283 428513588 /nfs/dbraw/zinc/51/35/88/428513588.db2.gz MOOJNLQGPSAOIV-KBXCAEBGSA-N 1 3 304.434 2.744 20 0 DFADHO CN1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@@H]2CCC[C@@H]21 ZINC000353392373 428517358 /nfs/dbraw/zinc/51/73/58/428517358.db2.gz GIXFAAMXRQXSHF-BPUTZDHNSA-N 1 3 310.388 2.806 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOc2ccc(F)cc2F)[C@@H]2CCC[C@@H]21 ZINC000353392373 428517359 /nfs/dbraw/zinc/51/73/59/428517359.db2.gz GIXFAAMXRQXSHF-BPUTZDHNSA-N 1 3 310.388 2.806 20 0 DFADHO C[N@H+]1CC[C@H](NCCOc2ccc(F)cc2F)[C@@H]2CCC[C@@H]21 ZINC000353392373 428517364 /nfs/dbraw/zinc/51/73/64/428517364.db2.gz GIXFAAMXRQXSHF-BPUTZDHNSA-N 1 3 310.388 2.806 20 0 DFADHO CC(C)C[C@@H](N[C@@H](C)c1ccc(F)cc1)C(=O)NCC[NH+](C)C ZINC000347259209 428518289 /nfs/dbraw/zinc/51/82/89/428518289.db2.gz YIERGCSGNNTZMB-WMLDXEAASA-N 1 3 323.456 2.569 20 0 DFADHO CC(C)(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1(C)C ZINC000415115402 428523927 /nfs/dbraw/zinc/52/39/27/428523927.db2.gz DRPMNHXBODIPHB-CVEARBPZSA-N 1 3 323.525 2.720 20 0 DFADHO CC(C)(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1(C)C ZINC000415115402 428523931 /nfs/dbraw/zinc/52/39/31/428523931.db2.gz DRPMNHXBODIPHB-CVEARBPZSA-N 1 3 323.525 2.720 20 0 DFADHO Cc1nn(C)c(C)c1C[C@H](C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415113813 428524775 /nfs/dbraw/zinc/52/47/75/428524775.db2.gz SQRVFNXRVMCMFX-ZQIUZPCESA-N 1 3 306.498 2.868 20 0 DFADHO CCOc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415121254 428526514 /nfs/dbraw/zinc/52/65/14/428526514.db2.gz HWDZWBSNPBZWLL-MJGOQNOKSA-N 1 3 318.461 2.804 20 0 DFADHO C[C@H]1CCN(Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C[NH3+] ZINC000415123731 428528530 /nfs/dbraw/zinc/52/85/30/428528530.db2.gz JOKRTKNPTAONIW-STQMWFEESA-N 1 3 304.463 2.565 20 0 DFADHO C[C@H](Cc1ccccc1Br)[NH2+]C[C@@H]1CCCNC1 ZINC000415124841 428529059 /nfs/dbraw/zinc/52/90/59/428529059.db2.gz RRDPOEUNSDDMTP-CHWSQXEVSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H](Cc1ccccc1Br)NC[C@@H]1CCC[NH2+]C1 ZINC000415124841 428529063 /nfs/dbraw/zinc/52/90/63/428529063.db2.gz RRDPOEUNSDDMTP-CHWSQXEVSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cn2ccccc2n1 ZINC000415122158 428530318 /nfs/dbraw/zinc/53/03/18/428530318.db2.gz ZYZQNOADOYENOQ-CVEARBPZSA-N 1 3 300.450 2.777 20 0 DFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(-c2ccccc2)cc1 ZINC000391053664 428477290 /nfs/dbraw/zinc/47/72/90/428477290.db2.gz LUHIRSMQJRCXPS-UHFFFAOYSA-N 1 3 309.457 2.691 20 0 DFADHO CC[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)N(CC)CC ZINC000358123509 428583947 /nfs/dbraw/zinc/58/39/47/428583947.db2.gz MVWIQEPVDJLRFK-JFIYKMOQSA-N 1 3 323.525 2.876 20 0 DFADHO CC[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)N(CC)CC ZINC000358123509 428583951 /nfs/dbraw/zinc/58/39/51/428583951.db2.gz MVWIQEPVDJLRFK-JFIYKMOQSA-N 1 3 323.525 2.876 20 0 DFADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)C1(C(=O)OC)CCC1 ZINC000353542950 428585944 /nfs/dbraw/zinc/58/59/44/428585944.db2.gz NXLZRJDDIVEDEA-JKSUJKDBSA-N 1 3 310.482 2.818 20 0 DFADHO COC[C@H](Cc1ccccc1)[NH2+]CCCN1CCC(C)CC1 ZINC000347320968 428545513 /nfs/dbraw/zinc/54/55/13/428545513.db2.gz JSMDMQONQAUZKN-IBGZPJMESA-N 1 3 304.478 2.956 20 0 DFADHO CC(C)[C@H](CN(C)Cc1ccccc1)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400454635 428545530 /nfs/dbraw/zinc/54/55/30/428545530.db2.gz RZRALHZIDPUAQX-NEWSRXKRSA-N 1 3 303.494 2.873 20 0 DFADHO C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000404334427 428564900 /nfs/dbraw/zinc/56/49/00/428564900.db2.gz BNYYXCOVGQISFU-VXIBKDFQSA-N 1 3 301.478 2.579 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000353501361 428568245 /nfs/dbraw/zinc/56/82/45/428568245.db2.gz MOQYKKQJGKLAGK-FUHWJXTLSA-N 1 3 319.493 2.790 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H]2CCN(CC3CCCC3)C2)[C@H]2CCC[C@H]21 ZINC000353515262 428572622 /nfs/dbraw/zinc/57/26/22/428572622.db2.gz DGNLMMDKTKEXMB-AKHDSKFASA-N 1 3 305.510 2.713 20 0 DFADHO CC(C)N1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000361523939 428573410 /nfs/dbraw/zinc/57/34/10/428573410.db2.gz HOZNROKHSZSVMC-KRWDZBQOSA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)N1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000361523939 428573413 /nfs/dbraw/zinc/57/34/13/428573413.db2.gz HOZNROKHSZSVMC-KRWDZBQOSA-N 1 3 321.509 2.584 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@H](CCCO)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000353518516 428574860 /nfs/dbraw/zinc/57/48/60/428574860.db2.gz LFOQXWMPTDHURX-AKHDSKFASA-N 1 3 302.462 2.963 20 0 DFADHO C[N@H+]1CC[C@H](N[C@H](CCCO)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000353518516 428574864 /nfs/dbraw/zinc/57/48/64/428574864.db2.gz LFOQXWMPTDHURX-AKHDSKFASA-N 1 3 302.462 2.963 20 0 DFADHO C[N@H+](CCO)C1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000358028492 428576522 /nfs/dbraw/zinc/57/65/22/428576522.db2.gz XREFRTJDRYLGRP-UHFFFAOYSA-N 1 3 320.521 2.981 20 0 DFADHO C[N@@H+](CCO)C1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000358028492 428576525 /nfs/dbraw/zinc/57/65/25/428576525.db2.gz XREFRTJDRYLGRP-UHFFFAOYSA-N 1 3 320.521 2.981 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)CCc2ccccc2)C[C@@H]1C ZINC000347441579 428579400 /nfs/dbraw/zinc/57/94/00/428579400.db2.gz PCPAZOPTUVCFJF-WDSOQIARSA-N 1 3 304.478 2.785 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)CCc2ccccc2)C[C@@H]1C ZINC000347441579 428579403 /nfs/dbraw/zinc/57/94/03/428579403.db2.gz PCPAZOPTUVCFJF-WDSOQIARSA-N 1 3 304.478 2.785 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)N2CCCN(C(C)C)CC2)c1 ZINC000415907913 428622558 /nfs/dbraw/zinc/62/25/58/428622558.db2.gz OJWXBCYPIVQMLN-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO Cc1ccc(C[C@@H](CO)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000373637424 428624376 /nfs/dbraw/zinc/62/43/76/428624376.db2.gz YZSUKQFWIWUYGE-IBGZPJMESA-N 1 3 316.489 2.895 20 0 DFADHO COc1cccc(COCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000353629465 428630949 /nfs/dbraw/zinc/63/09/49/428630949.db2.gz FZDCIJNGKKMXPV-IPMKNSEASA-N 1 3 318.461 2.674 20 0 DFADHO COc1cccc(COCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353629465 428630957 /nfs/dbraw/zinc/63/09/57/428630957.db2.gz FZDCIJNGKKMXPV-IPMKNSEASA-N 1 3 318.461 2.674 20 0 DFADHO COc1cccc(COCCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353629465 428630965 /nfs/dbraw/zinc/63/09/65/428630965.db2.gz FZDCIJNGKKMXPV-IPMKNSEASA-N 1 3 318.461 2.674 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)NCCN2CCCC[C@@H]2C)c1 ZINC000415939203 428633490 /nfs/dbraw/zinc/63/34/90/428633490.db2.gz YWIOQRPVYUILFA-HNNXBMFYSA-N 1 3 318.465 2.792 20 0 DFADHO COCCC[NH+]1CCC(N[C@H]2CCc3ccc(OC)cc32)CC1 ZINC000159092829 274020212 /nfs/dbraw/zinc/02/02/12/274020212.db2.gz BWBFSBCBNZVREN-IBGZPJMESA-N 1 3 318.461 2.773 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000343934830 428596201 /nfs/dbraw/zinc/59/62/01/428596201.db2.gz OOTFLAQQWRMREK-ZBFHGGJFSA-N 1 3 309.429 2.640 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)C[C@@H]1C ZINC000416000283 428647036 /nfs/dbraw/zinc/64/70/36/428647036.db2.gz WQZPERYIIFWAAT-GUYCJALGSA-N 1 3 316.449 2.626 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)C[C@@H]1C ZINC000416000283 428647043 /nfs/dbraw/zinc/64/70/43/428647043.db2.gz WQZPERYIIFWAAT-GUYCJALGSA-N 1 3 316.449 2.626 20 0 DFADHO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000416017851 428649333 /nfs/dbraw/zinc/64/93/33/428649333.db2.gz WAQRXXISECIFBS-UHFFFAOYSA-N 1 3 316.449 2.630 20 0 DFADHO C(CCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)CC1CCOCC1 ZINC000374155067 428665520 /nfs/dbraw/zinc/66/55/20/428665520.db2.gz AASQGWCNUYWOPP-CEXWTWQISA-N 1 3 306.494 2.999 20 0 DFADHO C(CCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)CC1CCOCC1 ZINC000374155067 428665526 /nfs/dbraw/zinc/66/55/26/428665526.db2.gz AASQGWCNUYWOPP-CEXWTWQISA-N 1 3 306.494 2.999 20 0 DFADHO CO[C@]1(C)CCCN(C[C@@H](C)C[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348230552 428667432 /nfs/dbraw/zinc/66/74/32/428667432.db2.gz HAOZMGHXOLHDOJ-NNZMDNLPSA-N 1 3 312.498 2.624 20 0 DFADHO CO[C@]1(C)CCCN(C[C@@H](C)C[N@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348230552 428667440 /nfs/dbraw/zinc/66/74/40/428667440.db2.gz HAOZMGHXOLHDOJ-NNZMDNLPSA-N 1 3 312.498 2.624 20 0 DFADHO CO[C@]1(C)CCC[N@@H+](C[C@@H](C)CN2CCC[C@](C)(OC)C2)C1 ZINC000348230552 428667441 /nfs/dbraw/zinc/66/74/41/428667441.db2.gz HAOZMGHXOLHDOJ-NNZMDNLPSA-N 1 3 312.498 2.624 20 0 DFADHO CO[C@]1(C)CCC[N@H+](C[C@@H](C)CN2CCC[C@](C)(OC)C2)C1 ZINC000348230552 428667448 /nfs/dbraw/zinc/66/74/48/428667448.db2.gz HAOZMGHXOLHDOJ-NNZMDNLPSA-N 1 3 312.498 2.624 20 0 DFADHO C[C@@H]1CN(C2CCN(c3ccnc4ccccc43)CC2)CCO1 ZINC000362303393 428697443 /nfs/dbraw/zinc/69/74/43/428697443.db2.gz ABJVCOGAACKHRL-OAHLLOKOSA-N 1 3 311.429 2.924 20 0 DFADHO C[C@@H]1C[N@@H+](C2CCN(c3ccnc4ccccc43)CC2)CCO1 ZINC000362303393 428697445 /nfs/dbraw/zinc/69/74/45/428697445.db2.gz ABJVCOGAACKHRL-OAHLLOKOSA-N 1 3 311.429 2.924 20 0 DFADHO C[C@@H]1C[N@H+](C2CCN(c3ccnc4ccccc43)CC2)CCO1 ZINC000362303393 428697451 /nfs/dbraw/zinc/69/74/51/428697451.db2.gz ABJVCOGAACKHRL-OAHLLOKOSA-N 1 3 311.429 2.924 20 0 DFADHO C[C@@H]1CN(C2CCN(c3cc[nH+]c4ccccc43)CC2)CCO1 ZINC000362303393 428697452 /nfs/dbraw/zinc/69/74/52/428697452.db2.gz ABJVCOGAACKHRL-OAHLLOKOSA-N 1 3 311.429 2.924 20 0 DFADHO CN(C)[C@H](CC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000416253135 428702147 /nfs/dbraw/zinc/70/21/47/428702147.db2.gz QNPAYKVNJTYJBB-SJLPKXTDSA-N 1 3 317.477 2.528 20 0 DFADHO CN(C)[C@H](CC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000416253135 428702153 /nfs/dbraw/zinc/70/21/53/428702153.db2.gz QNPAYKVNJTYJBB-SJLPKXTDSA-N 1 3 317.477 2.528 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3CCCF)C2)CC1 ZINC000374616579 428714342 /nfs/dbraw/zinc/71/43/42/428714342.db2.gz AHLFJZQZFDCHSJ-XYJFISCASA-N 1 3 311.489 2.663 20 0 DFADHO CC(C)(C)[C@H]1NC(=O)CC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000353795596 428720132 /nfs/dbraw/zinc/72/01/32/428720132.db2.gz NCNNEURZMNDNSF-ZBFHGGJFSA-N 1 3 309.498 2.532 20 0 DFADHO Cc1nc(CC[N@@H+](C)C2CCN(C3CCOCC3)CC2)cs1 ZINC000362400014 428731766 /nfs/dbraw/zinc/73/17/66/428731766.db2.gz DRDINTLHXSJPBV-UHFFFAOYSA-N 1 3 323.506 2.569 20 0 DFADHO Cc1nc(CC[N@H+](C)C2CCN(C3CCOCC3)CC2)cs1 ZINC000362400014 428731769 /nfs/dbraw/zinc/73/17/69/428731769.db2.gz DRDINTLHXSJPBV-UHFFFAOYSA-N 1 3 323.506 2.569 20 0 DFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000416146433 428677007 /nfs/dbraw/zinc/67/70/07/428677007.db2.gz UTVZSYBHESTXBS-WMZOPIPTSA-N 1 3 317.477 2.528 20 0 DFADHO CC[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000416146433 428677011 /nfs/dbraw/zinc/67/70/11/428677011.db2.gz UTVZSYBHESTXBS-WMZOPIPTSA-N 1 3 317.477 2.528 20 0 DFADHO Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2CCC[NH+]1CCCC1 ZINC000374831040 428761234 /nfs/dbraw/zinc/76/12/34/428761234.db2.gz WCHRXHMWDMOWKT-ALOPSCKCSA-N 1 3 302.466 2.616 20 0 DFADHO COC(=O)[C@H](C)CN(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411172755 428751399 /nfs/dbraw/zinc/75/13/99/428751399.db2.gz MWIJXDHPRDLLFI-MRXNPFEDSA-N 1 3 318.461 2.913 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccccc2N(C)C)C1 ZINC000354078329 428850055 /nfs/dbraw/zinc/85/00/55/428850055.db2.gz PZVVLZXVYQTNNC-GOSISDBHSA-N 1 3 319.493 2.685 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccccc2N(C)C)C1 ZINC000354078330 428850873 /nfs/dbraw/zinc/85/08/73/428850873.db2.gz PZVVLZXVYQTNNC-SFHVURJKSA-N 1 3 319.493 2.685 20 0 DFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1CN(C)C ZINC000362606381 428793971 /nfs/dbraw/zinc/79/39/71/428793971.db2.gz NWRAWGOBDPHUQE-HOTGVXAUSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1CN(C)C ZINC000362606381 428793975 /nfs/dbraw/zinc/79/39/75/428793975.db2.gz NWRAWGOBDPHUQE-HOTGVXAUSA-N 1 3 317.477 2.598 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCOCCOc2ccccc2)[C@@H](C)C1 ZINC000348632264 428799692 /nfs/dbraw/zinc/79/96/92/428799692.db2.gz DFJGFABXWKSDRY-PKOBYXMFSA-N 1 3 320.477 2.744 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCOCCOc2ccccc2)[C@@H](C)C1 ZINC000348632264 428799697 /nfs/dbraw/zinc/79/96/97/428799697.db2.gz DFJGFABXWKSDRY-PKOBYXMFSA-N 1 3 320.477 2.744 20 0 DFADHO CNC(=O)[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)C(C)C ZINC000411470419 428803473 /nfs/dbraw/zinc/80/34/73/428803473.db2.gz OJSGQOOQHTXDPF-SFHVURJKSA-N 1 3 317.477 2.533 20 0 DFADHO CCCNC(=O)CCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000411518630 428812032 /nfs/dbraw/zinc/81/20/32/428812032.db2.gz PVVSJTFJHNAMLV-HZPDHXFCSA-N 1 3 309.498 2.535 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000411516165 428812135 /nfs/dbraw/zinc/81/21/35/428812135.db2.gz JHNOQWDSPVOFFM-HOTGVXAUSA-N 1 3 323.525 2.781 20 0 DFADHO CC(=O)N1CCC([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000359100220 428816775 /nfs/dbraw/zinc/81/67/75/428816775.db2.gz AJNLLFLNQZPNCD-DNVCBOLYSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[NH+]1CCC(N2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC000354025312 428826778 /nfs/dbraw/zinc/82/67/78/428826778.db2.gz BOTUYXDPSYEYPR-GOSISDBHSA-N 1 3 305.510 2.833 20 0 DFADHO CCCN1CCN(c2ccccc2C[N@H+](C)C[C@H](C)OC)CC1 ZINC000348833958 428856078 /nfs/dbraw/zinc/85/60/78/428856078.db2.gz ONNJZOXESXBIOA-KRWDZBQOSA-N 1 3 319.493 2.685 20 0 DFADHO CCCN1CCN(c2ccccc2C[N@@H+](C)C[C@H](C)OC)CC1 ZINC000348833958 428856083 /nfs/dbraw/zinc/85/60/83/428856083.db2.gz ONNJZOXESXBIOA-KRWDZBQOSA-N 1 3 319.493 2.685 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375349572 428860970 /nfs/dbraw/zinc/86/09/70/428860970.db2.gz NQNJRTZCXUIRQA-OAHLLOKOSA-N 1 3 323.431 2.961 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375349572 428860976 /nfs/dbraw/zinc/86/09/76/428860976.db2.gz NQNJRTZCXUIRQA-OAHLLOKOSA-N 1 3 323.431 2.961 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cccc(COC)c2)C1 ZINC000354108285 428866321 /nfs/dbraw/zinc/86/63/21/428866321.db2.gz UMVMEYFDAQOATC-IBGZPJMESA-N 1 3 320.477 2.766 20 0 DFADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(N3CCCC3)nc2)CC1 ZINC000375507932 428901425 /nfs/dbraw/zinc/90/14/25/428901425.db2.gz QULDAKXUPJCDAN-UHFFFAOYSA-N 1 3 314.477 2.742 20 0 DFADHO CN1CCC2(CCC[N@H+]2Cc2ccc(N3CCCC3)nc2)CC1 ZINC000375507932 428901431 /nfs/dbraw/zinc/90/14/31/428901431.db2.gz QULDAKXUPJCDAN-UHFFFAOYSA-N 1 3 314.477 2.742 20 0 DFADHO C[N@H+](C[C@@H](O)CN1C[C@@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984825 428901941 /nfs/dbraw/zinc/90/19/41/428901941.db2.gz NGCDORXRBQWCIQ-MOPGFXCFSA-N 1 3 314.473 2.711 20 0 DFADHO C[N@@H+](C[C@@H](O)CN1C[C@@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984825 428901947 /nfs/dbraw/zinc/90/19/47/428901947.db2.gz NGCDORXRBQWCIQ-MOPGFXCFSA-N 1 3 314.473 2.711 20 0 DFADHO CCc1cccc(F)c1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000349034322 428904734 /nfs/dbraw/zinc/90/47/34/428904734.db2.gz ODMQTEUALKIXCL-UHFFFAOYSA-N 1 3 321.484 2.846 20 0 DFADHO C[C@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)N1CCCCCC1 ZINC000345505073 428914672 /nfs/dbraw/zinc/91/46/72/428914672.db2.gz JLEYIJWQSWLQBE-IXDOHACOSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)N1CCCCCC1 ZINC000345505073 428914678 /nfs/dbraw/zinc/91/46/78/428914678.db2.gz JLEYIJWQSWLQBE-IXDOHACOSA-N 1 3 309.498 2.630 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000349091627 428918725 /nfs/dbraw/zinc/91/87/25/428918725.db2.gz YSIVRRPROGTXKJ-IRXDYDNUSA-N 1 3 311.514 2.734 20 0 DFADHO CC(C)c1nccn1C[C@@H]1CCCN1CCC[NH+]1CCCC1 ZINC000363478683 428927290 /nfs/dbraw/zinc/92/72/90/428927290.db2.gz NAKKQDGGAQKYST-KRWDZBQOSA-N 1 3 304.482 2.957 20 0 DFADHO CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1CCCN1CCCC1 ZINC000363478683 428927297 /nfs/dbraw/zinc/92/72/97/428927297.db2.gz NAKKQDGGAQKYST-KRWDZBQOSA-N 1 3 304.482 2.957 20 0 DFADHO CC(C)c1nccn1C[C@@H]1CCC[N@H+]1CCCN1CCCC1 ZINC000363478683 428927300 /nfs/dbraw/zinc/92/73/00/428927300.db2.gz NAKKQDGGAQKYST-KRWDZBQOSA-N 1 3 304.482 2.957 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)NCC2CCCCC2)C[C@H]1C ZINC000354226266 428927921 /nfs/dbraw/zinc/92/79/21/428927921.db2.gz VXZQTQCOKRJJTO-AEFFLSMTSA-N 1 3 323.525 2.878 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)NCC2CCCCC2)C[C@H]1C ZINC000354226266 428927923 /nfs/dbraw/zinc/92/79/23/428927923.db2.gz VXZQTQCOKRJJTO-AEFFLSMTSA-N 1 3 323.525 2.878 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2CCC)CC1 ZINC000349146217 428929912 /nfs/dbraw/zinc/92/99/12/428929912.db2.gz VQOLPDICSWZSML-SFHVURJKSA-N 1 3 323.525 2.831 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2CCC)CC1 ZINC000349146217 428929916 /nfs/dbraw/zinc/92/99/16/428929916.db2.gz VQOLPDICSWZSML-SFHVURJKSA-N 1 3 323.525 2.831 20 0 DFADHO CCOc1cccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000349149138 428930281 /nfs/dbraw/zinc/93/02/81/428930281.db2.gz LEXUNYCRCJACMI-INIZCTEOSA-N 1 3 303.450 2.644 20 0 DFADHO C[C@@H](C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1 ZINC000375717148 428950767 /nfs/dbraw/zinc/95/07/67/428950767.db2.gz FLCYQZXWTZMUFL-WMZOPIPTSA-N 1 3 301.478 2.548 20 0 DFADHO Cc1cccc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)c1C ZINC000349317899 428961098 /nfs/dbraw/zinc/96/10/98/428961098.db2.gz QRWQKFHCPWRCQV-QGZVFWFLSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1cccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)c1C ZINC000349317899 428961101 /nfs/dbraw/zinc/96/11/01/428961101.db2.gz QRWQKFHCPWRCQV-QGZVFWFLSA-N 1 3 315.505 2.904 20 0 DFADHO c1ccc([C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccncn2)cc1 ZINC000423555607 428970672 /nfs/dbraw/zinc/97/06/72/428970672.db2.gz YDIDKHCMOWLYNC-FAJBIJEISA-N 1 3 308.429 2.544 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000421707663 429020134 /nfs/dbraw/zinc/02/01/34/429020134.db2.gz YAKPWGFVUXKHPJ-SFHVURJKSA-N 1 3 317.477 2.695 20 0 DFADHO CCO[C@H]1COCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000354971435 429023284 /nfs/dbraw/zinc/02/32/84/429023284.db2.gz TYYXSHCYWAWCOW-ROUUACIJSA-N 1 3 310.482 2.567 20 0 DFADHO CCN(CC)CCC[N@H+](CC)C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000349386333 428979319 /nfs/dbraw/zinc/97/93/19/428979319.db2.gz RSQOVUSATLVZND-FUHWJXTLSA-N 1 3 322.497 2.552 20 0 DFADHO CCN(CC)CCC[N@@H+](CC)C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000349386333 428979322 /nfs/dbraw/zinc/97/93/22/428979322.db2.gz RSQOVUSATLVZND-FUHWJXTLSA-N 1 3 322.497 2.552 20 0 DFADHO CCN(CCC[NH+](CC)CC)C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000349386333 428979323 /nfs/dbraw/zinc/97/93/23/428979323.db2.gz RSQOVUSATLVZND-FUHWJXTLSA-N 1 3 322.497 2.552 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)N1CCCCC1 ZINC000354661313 429000735 /nfs/dbraw/zinc/00/07/35/429000735.db2.gz NTXMIMSYLQDTHO-FGTMMUONSA-N 1 3 323.525 2.876 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)N1CCCCC1 ZINC000354661313 429000741 /nfs/dbraw/zinc/00/07/41/429000741.db2.gz NTXMIMSYLQDTHO-FGTMMUONSA-N 1 3 323.525 2.876 20 0 DFADHO COCCN(C)CCOc1cccc(C[NH2+]C2CC(C)(C)C2)c1 ZINC000433175198 429003755 /nfs/dbraw/zinc/00/37/55/429003755.db2.gz OYJQUMVUNAWHNC-UHFFFAOYSA-N 1 3 320.477 2.922 20 0 DFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000423726734 429004627 /nfs/dbraw/zinc/00/46/27/429004627.db2.gz KGGFXYQYEVIRMW-BZUAXINKSA-N 1 3 307.482 2.512 20 0 DFADHO CN(C)Cc1ccc(CNC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000423740838 429007069 /nfs/dbraw/zinc/00/70/69/429007069.db2.gz XHVSYVGVXNJMCV-UHFFFAOYSA-N 1 3 317.477 2.664 20 0 DFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423759964 429011829 /nfs/dbraw/zinc/01/18/29/429011829.db2.gz MMONMHVPKRLCDW-UONOGXRCSA-N 1 3 303.450 2.509 20 0 DFADHO COCCC[C@@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423479224 429094070 /nfs/dbraw/zinc/09/40/70/429094070.db2.gz USGWLTOIXZPMAQ-UWWQBHOKSA-N 1 3 308.441 2.924 20 0 DFADHO Cc1nc2ccccc2nc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357086984 274851348 /nfs/dbraw/zinc/85/13/48/274851348.db2.gz RZQIOJLIOYYFSL-INIZCTEOSA-N 1 3 310.445 2.760 20 0 DFADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccncc1Cl ZINC000421838281 429038961 /nfs/dbraw/zinc/03/89/61/429038961.db2.gz VFFKWOBFSXLQLX-KBPBESRZSA-N 1 3 311.857 2.623 20 0 DFADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccncc1Cl ZINC000421838281 429038965 /nfs/dbraw/zinc/03/89/65/429038965.db2.gz VFFKWOBFSXLQLX-KBPBESRZSA-N 1 3 311.857 2.623 20 0 DFADHO COCCOCc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000423142021 429054439 /nfs/dbraw/zinc/05/44/39/429054439.db2.gz SYWUUGQNIITMIQ-ROUUACIJSA-N 1 3 306.450 2.599 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@@H]1CCc2cccc(Br)c2C1 ZINC000423276417 429056026 /nfs/dbraw/zinc/05/60/26/429056026.db2.gz OKZAABKGCOFOGM-DGCLKSJQSA-N 1 3 311.267 2.752 20 0 DFADHO CNC[C@@H](C)C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423276417 429056032 /nfs/dbraw/zinc/05/60/32/429056032.db2.gz OKZAABKGCOFOGM-DGCLKSJQSA-N 1 3 311.267 2.752 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423283760 429056398 /nfs/dbraw/zinc/05/63/98/429056398.db2.gz WEPXVNXJMKUFKE-JQHSSLGASA-N 1 3 308.441 2.880 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@H]2CN)cc1OC ZINC000423278311 429056480 /nfs/dbraw/zinc/05/64/80/429056480.db2.gz QPFVKWYJZFQENV-BFJAYTPKSA-N 1 3 306.450 2.913 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000423289968 429057360 /nfs/dbraw/zinc/05/73/60/429057360.db2.gz YTOHVULIHOMTOL-CYBMUJFWSA-N 1 3 306.454 2.948 20 0 DFADHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423303806 429059889 /nfs/dbraw/zinc/05/98/89/429059889.db2.gz JOWJHBCIMBIQJQ-UWVGGRQHSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@@H](C[NH3+])CN[C@@H](C)Cc1ccc(F)cc1Br ZINC000423303806 429059894 /nfs/dbraw/zinc/05/98/94/429059894.db2.gz JOWJHBCIMBIQJQ-UWVGGRQHSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(CN(C)C)cc2F)CC[N@@H+]1C ZINC000412555185 429060294 /nfs/dbraw/zinc/06/02/94/429060294.db2.gz BDFXSEMFGGQZFK-JSGCOSHPSA-N 1 3 307.413 2.556 20 0 DFADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(CN(C)C)cc2F)CC[N@H+]1C ZINC000412555185 429060299 /nfs/dbraw/zinc/06/02/99/429060299.db2.gz BDFXSEMFGGQZFK-JSGCOSHPSA-N 1 3 307.413 2.556 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412560114 429062866 /nfs/dbraw/zinc/06/28/66/429062866.db2.gz PDMDOLVYEKFOCR-GFCCVEGCSA-N 1 3 309.429 2.993 20 0 DFADHO [NH3+][C@@H](CN[C@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000423319071 429063114 /nfs/dbraw/zinc/06/31/14/429063114.db2.gz LNVWTKZOXSQBAL-GJZGRUSLSA-N 1 3 309.251 2.633 20 0 DFADHO N[C@H](C[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1)C1CC1 ZINC000423315532 429063227 /nfs/dbraw/zinc/06/32/27/429063227.db2.gz IWTRUQVYSRXNJQ-IXDOHACOSA-N 1 3 308.853 2.757 20 0 DFADHO C[C@@H](Cc1ccc(F)cc1Br)NCC1([NH3+])CCC1 ZINC000423330439 429064901 /nfs/dbraw/zinc/06/49/01/429064901.db2.gz NTIMZKOTQHXCLJ-JTQLQIEISA-N 1 3 315.230 2.990 20 0 DFADHO CC1CC[NH+](CCCCNC(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000423326452 429065887 /nfs/dbraw/zinc/06/58/87/429065887.db2.gz KOAQNDXQHZMQOZ-SFHVURJKSA-N 1 3 323.525 2.912 20 0 DFADHO C[C@H](CNC(=O)[C@@H](N)CC1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000423332804 429067489 /nfs/dbraw/zinc/06/74/89/429067489.db2.gz PKELQWFWOLQJEN-INMHGKMJSA-N 1 3 309.498 2.663 20 0 DFADHO C[C@H](CNC(=O)[C@@H](N)CC1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000423332804 429067492 /nfs/dbraw/zinc/06/74/92/429067492.db2.gz PKELQWFWOLQJEN-INMHGKMJSA-N 1 3 309.498 2.663 20 0 DFADHO COc1cccc(C[C@@H]([NH2+]C[C@]2(C)CCCNC2)C2CC2)c1 ZINC000423347491 429069560 /nfs/dbraw/zinc/06/95/60/429069560.db2.gz RJWIJLFKGLERKV-RTBURBONSA-N 1 3 302.462 2.996 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)NCCN(C)Cc2ccccc2)cc1 ZINC000423356585 429071880 /nfs/dbraw/zinc/07/18/80/429071880.db2.gz QUOLGFUSELQEFH-HNNXBMFYSA-N 1 3 311.429 2.568 20 0 DFADHO COCCC[C@H](C)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423378821 429077015 /nfs/dbraw/zinc/07/70/15/429077015.db2.gz WRBSZVNOEVCSDL-JDFRZJQESA-N 1 3 312.404 2.815 20 0 DFADHO COCCC[C@H](C)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423378822 429077039 /nfs/dbraw/zinc/07/70/39/429077039.db2.gz WRBSZVNOEVCSDL-QEORTHHSSA-N 1 3 312.404 2.815 20 0 DFADHO COCCC[C@H](C)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423378823 429077283 /nfs/dbraw/zinc/07/72/83/429077283.db2.gz WRBSZVNOEVCSDL-RVSPLBMKSA-N 1 3 312.404 2.815 20 0 DFADHO Cc1ccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000423381050 429077630 /nfs/dbraw/zinc/07/76/30/429077630.db2.gz HPVHSMDNZBOTIO-DGCLKSJQSA-N 1 3 321.412 2.543 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CCN1 ZINC000423382254 429077724 /nfs/dbraw/zinc/07/77/24/429077724.db2.gz OTGUPKBTVWHJKK-RWQQGDIJSA-N 1 3 301.478 2.627 20 0 DFADHO COc1cc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc(OC)c1OC ZINC000423388333 429079490 /nfs/dbraw/zinc/07/94/90/429079490.db2.gz NJUSUNLJNCQDRS-FPMFFAJLSA-N 1 3 308.422 2.633 20 0 DFADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423413884 429083849 /nfs/dbraw/zinc/08/38/49/429083849.db2.gz BFJWZKXRAABQHE-HDEZJCGLSA-N 1 3 308.853 2.536 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCCN1C1CC1)[NH+]1CCCCC1 ZINC000434443450 429087046 /nfs/dbraw/zinc/08/70/46/429087046.db2.gz YUZGSBKPJGZKBZ-ROUUACIJSA-N 1 3 321.509 2.630 20 0 DFADHO COc1ccc([C@@H]2CCCC[C@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000423434133 429087501 /nfs/dbraw/zinc/08/75/01/429087501.db2.gz NXNWVRLVXZAUKN-JQONLHTASA-N 1 3 304.409 2.668 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424138619 429098209 /nfs/dbraw/zinc/09/82/09/429098209.db2.gz CSYFDPBMADCZEQ-UWWQBHOKSA-N 1 3 321.509 2.663 20 0 DFADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H]1CNCCCO1 ZINC000423492594 429099959 /nfs/dbraw/zinc/09/99/59/429099959.db2.gz NUSYHFBMOBUMLF-HZSPNIEDSA-N 1 3 319.474 2.756 20 0 DFADHO CN1CC[C@H]([NH2+][C@H](CN)C2CCCC2)C[C@H]1c1ccccc1 ZINC000423506203 429101741 /nfs/dbraw/zinc/10/17/41/429101741.db2.gz OWXZYIGUOVBSPY-OTWHNJEPSA-N 1 3 301.478 2.929 20 0 DFADHO CN1CC[C@@H]2CCN(C(=O)CC[C@@H]([NH3+])CC3CCCCC3)[C@H]2C1 ZINC000424175344 429105500 /nfs/dbraw/zinc/10/55/00/429105500.db2.gz PRPFQPYAWFDBLO-KURKYZTESA-N 1 3 321.509 2.617 20 0 DFADHO N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1Br ZINC000424285962 429119467 /nfs/dbraw/zinc/11/94/67/429119467.db2.gz GMVIIADHCZHCKH-CHWSQXEVSA-N 1 3 313.239 2.687 20 0 DFADHO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](CN)c1ccc(F)cc1 ZINC000424308139 429125192 /nfs/dbraw/zinc/12/51/92/429125192.db2.gz ZFVUDNOVGZIJID-FUHWJXTLSA-N 1 3 316.424 2.538 20 0 DFADHO Cc1nccn1C[C@H]1CCC[N@H+]1C[C@H](CN)c1ccc(F)cc1 ZINC000424308139 429125196 /nfs/dbraw/zinc/12/51/96/429125196.db2.gz ZFVUDNOVGZIJID-FUHWJXTLSA-N 1 3 316.424 2.538 20 0 DFADHO Cc1nccn1C[C@H]1CCCN1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424308139 429125200 /nfs/dbraw/zinc/12/52/00/429125200.db2.gz ZFVUDNOVGZIJID-FUHWJXTLSA-N 1 3 316.424 2.538 20 0 DFADHO CCOC(=O)CC(C)(C)CCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000376515940 429127724 /nfs/dbraw/zinc/12/77/24/429127724.db2.gz WDJNLQLUJTWFTH-ZACQAIPSSA-N 1 3 322.493 2.772 20 0 DFADHO CCOC(=O)CC(C)(C)CCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000376515940 429127728 /nfs/dbraw/zinc/12/77/28/429127728.db2.gz WDJNLQLUJTWFTH-ZACQAIPSSA-N 1 3 322.493 2.772 20 0 DFADHO COc1ccc(C[C@@H](C)N[C@@H]2CCCC[C@H]2[NH3+])c(C)c1OC ZINC000424376454 429132145 /nfs/dbraw/zinc/13/21/45/429132145.db2.gz PFPNTYWILYDMJX-DAXOMENPSA-N 1 3 306.450 2.803 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CCCC[C@H]2[NH3+])c(C)c1OC ZINC000424376452 429132180 /nfs/dbraw/zinc/13/21/80/429132180.db2.gz PFPNTYWILYDMJX-APHBMKBZSA-N 1 3 306.450 2.803 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(NC(=O)NC2CC2)cc1 ZINC000424376838 429132339 /nfs/dbraw/zinc/13/23/39/429132339.db2.gz PYAAIFPFNOGBQL-CSMYWGQOSA-N 1 3 316.449 2.891 20 0 DFADHO C[C@@H]1CC2(CN1Cc1nccn1-c1ccccc1)CC[NH2+]CC2 ZINC000424386969 429132720 /nfs/dbraw/zinc/13/27/20/429132720.db2.gz XVRAQLIDXISWKG-MRXNPFEDSA-N 1 3 310.445 2.836 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000424380300 429133592 /nfs/dbraw/zinc/13/35/92/429133592.db2.gz WSHFFKAJNYWDTI-DJSGYFEHSA-N 1 3 301.434 2.837 20 0 DFADHO C[C@H](C[C@@H](C)[NH2+]CCCN1CCCC1)NC(=O)OC(C)(C)C ZINC000494659625 429139940 /nfs/dbraw/zinc/13/99/40/429139940.db2.gz QMBMEMUFMLMURG-HUUCEWRRSA-N 1 3 313.486 2.754 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(C/C=C/c2ccncc2)C1 ZINC000494958411 429166792 /nfs/dbraw/zinc/16/67/92/429166792.db2.gz VYTMLMKIWGGUOT-QWNKOJSDSA-N 1 3 303.450 2.528 20 0 DFADHO COc1ccc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000436272616 429193207 /nfs/dbraw/zinc/19/32/07/429193207.db2.gz HLGUSYPDRGYWCK-HOTGVXAUSA-N 1 3 305.466 2.938 20 0 DFADHO C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC(N(C)CCO)CC1 ZINC000445278073 429285641 /nfs/dbraw/zinc/28/56/41/429285641.db2.gz XMIAPSFVXAAXJK-HNNXBMFYSA-N 1 3 302.462 2.625 20 0 DFADHO C[N@H+](CC1CCN(c2ccncc2)CC1)C[C@H]1CCC=CO1 ZINC000364765866 429263917 /nfs/dbraw/zinc/26/39/17/429263917.db2.gz YSANUNWEJURWBB-GOSISDBHSA-N 1 3 301.434 2.923 20 0 DFADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)C[C@H]1CCC=CO1 ZINC000364765866 429263919 /nfs/dbraw/zinc/26/39/19/429263919.db2.gz YSANUNWEJURWBB-GOSISDBHSA-N 1 3 301.434 2.923 20 0 DFADHO CCc1cccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000364928754 429268695 /nfs/dbraw/zinc/26/86/95/429268695.db2.gz GIZCYTXVAWGMJG-FXAWDEMLSA-N 1 3 315.505 2.707 20 0 DFADHO Cc1ncsc1CC[N@@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000365479898 429325323 /nfs/dbraw/zinc/32/53/23/429325323.db2.gz GQGCUEJDFKFXFK-UHFFFAOYSA-N 1 3 323.506 2.569 20 0 DFADHO Cc1ncsc1CC[N@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000365479898 429325326 /nfs/dbraw/zinc/32/53/26/429325326.db2.gz GQGCUEJDFKFXFK-UHFFFAOYSA-N 1 3 323.506 2.569 20 0 DFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCCN2C)CC1 ZINC000449102003 429332951 /nfs/dbraw/zinc/33/29/51/429332951.db2.gz HWNZLKQOVBLRMM-FXAWDEMLSA-N 1 3 315.505 2.766 20 0 DFADHO Cc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000449107776 429334971 /nfs/dbraw/zinc/33/49/71/429334971.db2.gz NQXDPFXZOWMPEV-UHFFFAOYSA-N 1 3 307.507 2.705 20 0 DFADHO CN[C@H](CC(C)(C)C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000449117129 429337329 /nfs/dbraw/zinc/33/73/29/429337329.db2.gz NOPIILJKRPWDFT-MRXNPFEDSA-N 1 3 305.466 2.753 20 0 DFADHO CO[C@@H](C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000425427831 429292812 /nfs/dbraw/zinc/29/28/12/429292812.db2.gz VJISGACIGXXIFL-FCEWJHQRSA-N 1 3 324.509 2.623 20 0 DFADHO CC1(c2ccc(F)cc2)CC(NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000365405300 429314010 /nfs/dbraw/zinc/31/40/10/429314010.db2.gz SIIKVAUDLAPWAZ-XBMUEBEBSA-N 1 3 320.452 2.682 20 0 DFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CCN(C)C)c1ccccc1 ZINC000449338620 429392436 /nfs/dbraw/zinc/39/24/36/429392436.db2.gz VYFOYDADHMAMML-INIZCTEOSA-N 1 3 305.466 2.605 20 0 DFADHO CC1CCC(N2CCN(C(=O)C[C@H]3CCCC[C@H]3[NH3+])CC2)CC1 ZINC000449350781 429395706 /nfs/dbraw/zinc/39/57/06/429395706.db2.gz NIUHWJZTCNLOAD-GPQLOAJWSA-N 1 3 321.509 2.617 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000426494047 429398076 /nfs/dbraw/zinc/39/80/76/429398076.db2.gz BAFYVEXLRMXTPL-DLBZAZTESA-N 1 3 311.514 2.734 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000426494047 429398079 /nfs/dbraw/zinc/39/80/79/429398079.db2.gz BAFYVEXLRMXTPL-DLBZAZTESA-N 1 3 311.514 2.734 20 0 DFADHO CC[NH+]1CCN(c2ccccc2CNCc2ccnc(C)c2)CC1 ZINC000449401353 429404345 /nfs/dbraw/zinc/40/43/45/429404345.db2.gz GTZLWKQBFTZVSI-UHFFFAOYSA-N 1 3 324.472 2.822 20 0 DFADHO C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)CN(C)C ZINC000425928384 429352481 /nfs/dbraw/zinc/35/24/81/429352481.db2.gz VHXJBYPSSQKAJB-VOBGVNJCSA-N 1 3 315.505 2.969 20 0 DFADHO Cc1cc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cs1 ZINC000449188310 429353145 /nfs/dbraw/zinc/35/31/45/429353145.db2.gz KMGQJKZZDUAXMN-DLBZAZTESA-N 1 3 308.491 2.914 20 0 DFADHO CN1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C[C@@H]2C1 ZINC000425989346 429357213 /nfs/dbraw/zinc/35/72/13/429357213.db2.gz RSIMBGSDJRFSIM-CALCHBBNSA-N 1 3 300.446 2.784 20 0 DFADHO CN1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C[C@@H]2C1 ZINC000425989346 429357214 /nfs/dbraw/zinc/35/72/14/429357214.db2.gz RSIMBGSDJRFSIM-CALCHBBNSA-N 1 3 300.446 2.784 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCO[C@H]2C)CC1 ZINC000449214898 429359887 /nfs/dbraw/zinc/35/98/87/429359887.db2.gz MPQPMENCLDXKDK-GJYPPUQNSA-N 1 3 302.462 2.849 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CCC1 ZINC000449223116 429361559 /nfs/dbraw/zinc/36/15/59/429361559.db2.gz JGGNNRQMJKTAEB-GOSISDBHSA-N 1 3 317.477 2.646 20 0 DFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC(C)(C)C(N)=O)CC1 ZINC000449222033 429362158 /nfs/dbraw/zinc/36/21/58/429362158.db2.gz VHGXENAOJLRHNJ-UHFFFAOYSA-N 1 3 311.514 2.767 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)[C@H]2CCC[C@@H]21 ZINC000426296008 429381477 /nfs/dbraw/zinc/38/14/77/429381477.db2.gz PBXAPZNLIQUUDP-LMSBXDPUSA-N 1 3 317.452 2.867 20 0 DFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)[C@H]2CCC[C@@H]21 ZINC000426296008 429381481 /nfs/dbraw/zinc/38/14/81/429381481.db2.gz PBXAPZNLIQUUDP-LMSBXDPUSA-N 1 3 317.452 2.867 20 0 DFADHO CN(C)Cc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000365841515 429382959 /nfs/dbraw/zinc/38/29/59/429382959.db2.gz PKDMLCBWRNWEIT-RDJZCZTQSA-N 1 3 301.434 2.561 20 0 DFADHO CN(C)Cc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)cc1 ZINC000365841515 429382963 /nfs/dbraw/zinc/38/29/63/429382963.db2.gz PKDMLCBWRNWEIT-RDJZCZTQSA-N 1 3 301.434 2.561 20 0 DFADHO CN(C)Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000365841514 429383364 /nfs/dbraw/zinc/38/33/64/429383364.db2.gz PKDMLCBWRNWEIT-NVXWUHKLSA-N 1 3 301.434 2.561 20 0 DFADHO CN(C)Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)cc1 ZINC000365841514 429383367 /nfs/dbraw/zinc/38/33/67/429383367.db2.gz PKDMLCBWRNWEIT-NVXWUHKLSA-N 1 3 301.434 2.561 20 0 DFADHO Cc1cccc(CCN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000449326339 429387475 /nfs/dbraw/zinc/38/74/75/429387475.db2.gz UUSSZQAHURVTRK-SFHVURJKSA-N 1 3 315.505 2.638 20 0 DFADHO Cc1cccc(CCN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000449326339 429387478 /nfs/dbraw/zinc/38/74/78/429387478.db2.gz UUSSZQAHURVTRK-SFHVURJKSA-N 1 3 315.505 2.638 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCO[C@@H]2C)CC1 ZINC000449336285 429389417 /nfs/dbraw/zinc/38/94/17/429389417.db2.gz MPQPMENCLDXKDK-GPMSIDNRSA-N 1 3 302.462 2.849 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561612 429448271 /nfs/dbraw/zinc/44/82/71/429448271.db2.gz WDFAVXIGJHOEJD-RJCAOGMDSA-N 1 3 319.424 2.758 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561612 429448275 /nfs/dbraw/zinc/44/82/75/429448275.db2.gz WDFAVXIGJHOEJD-RJCAOGMDSA-N 1 3 319.424 2.758 20 0 DFADHO C[C@H](Cc1cnn(C)c1)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449584099 429456690 /nfs/dbraw/zinc/45/66/90/429456690.db2.gz JJPLZAJIMHPWTD-GPMSIDNRSA-N 1 3 318.509 2.984 20 0 DFADHO C[C@H](Cc1cnn(C)c1)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449584099 429456696 /nfs/dbraw/zinc/45/66/96/429456696.db2.gz JJPLZAJIMHPWTD-GPMSIDNRSA-N 1 3 318.509 2.984 20 0 DFADHO CCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)COC1 ZINC000449601387 429459370 /nfs/dbraw/zinc/45/93/70/429459370.db2.gz RJJIUQGBXYKEEO-IPMKNSEASA-N 1 3 314.473 2.913 20 0 DFADHO CO[C@@H]1COCC[C@@H]1C[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000449449898 429421244 /nfs/dbraw/zinc/42/12/44/429421244.db2.gz AERJTXJTYRWQJX-OGWHTMIXSA-N 1 3 324.509 2.671 20 0 DFADHO CO[C@@H]1COCC[C@@H]1CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449449898 429421247 /nfs/dbraw/zinc/42/12/47/429421247.db2.gz AERJTXJTYRWQJX-OGWHTMIXSA-N 1 3 324.509 2.671 20 0 DFADHO C1CC2(C1)[C@H]([NH2+]C1CCN(C3CCCC3)CC1)[C@@H]1CCO[C@@H]12 ZINC000122115035 275736191 /nfs/dbraw/zinc/73/61/91/275736191.db2.gz YULCEVCKMLNRJC-KSZLIROESA-N 1 3 304.478 2.941 20 0 DFADHO OC[C@]1(CNC2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000519733884 429482860 /nfs/dbraw/zinc/48/28/60/429482860.db2.gz MPDPZVURZVWQTF-VQTJNVASSA-N 1 3 314.473 2.617 20 0 DFADHO C[C@@H]1C[C@@H](O)CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000449767761 429501800 /nfs/dbraw/zinc/50/18/00/429501800.db2.gz QWCOVMVJADQTJT-SJLPKXTDSA-N 1 3 304.478 2.847 20 0 DFADHO C[C@@H]1C[C@@H](O)CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000449767761 429501804 /nfs/dbraw/zinc/50/18/04/429501804.db2.gz QWCOVMVJADQTJT-SJLPKXTDSA-N 1 3 304.478 2.847 20 0 DFADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000366794394 429516028 /nfs/dbraw/zinc/51/60/28/429516028.db2.gz ZPWSKGCRAWQASC-IKGGRYGDSA-N 1 3 304.482 2.768 20 0 DFADHO CCN(CC)C(=[NH2+])NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000366822578 429520525 /nfs/dbraw/zinc/52/05/25/429520525.db2.gz QJJNZKZFUAFVJC-GOSISDBHSA-N 1 3 302.466 2.765 20 0 DFADHO CN1CCC[C@H](C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000521414166 429551342 /nfs/dbraw/zinc/55/13/42/429551342.db2.gz YTJZGJUWBVGUFP-QRQLOZEOSA-N 1 3 301.478 2.753 20 0 DFADHO Cc1cc(C)cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000367032537 429562619 /nfs/dbraw/zinc/56/26/19/429562619.db2.gz ZWYZTBIUHDXZQA-ICSRJNTNSA-N 1 3 315.505 2.761 20 0 DFADHO CCC[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)N(C)C ZINC000367052060 429565222 /nfs/dbraw/zinc/56/52/22/429565222.db2.gz HMFUUCHJPZBINA-LZWOXQAQSA-N 1 3 323.506 2.587 20 0 DFADHO CCC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)N(C)C ZINC000367052060 429565225 /nfs/dbraw/zinc/56/52/25/429565225.db2.gz HMFUUCHJPZBINA-LZWOXQAQSA-N 1 3 323.506 2.587 20 0 DFADHO C[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000429600593 429621017 /nfs/dbraw/zinc/62/10/17/429621017.db2.gz WIRFDMBVILPYKX-KBAYOESNSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@@H]1CC[C@H]([N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000429600594 429621478 /nfs/dbraw/zinc/62/14/78/429621478.db2.gz WIRFDMBVILPYKX-NJAFHUGGSA-N 1 3 317.477 2.526 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)[C@H](C)c2ccccc2)C[C@H]1C ZINC000450466242 429633426 /nfs/dbraw/zinc/63/34/26/429633426.db2.gz IJLUKKSEUOCIBF-FPAYPSAMSA-N 1 3 304.478 2.956 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)[C@H](C)c2ccccc2)C[C@H]1C ZINC000450466242 429633428 /nfs/dbraw/zinc/63/34/28/429633428.db2.gz IJLUKKSEUOCIBF-FPAYPSAMSA-N 1 3 304.478 2.956 20 0 DFADHO CCCc1ccc2[nH+]ccc(N3CCN(C[C@@H](C)O)CC3)c2c1 ZINC000450471115 429636602 /nfs/dbraw/zinc/63/66/02/429636602.db2.gz VLSUAJGQOBHPHD-OAHLLOKOSA-N 1 3 313.445 2.690 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC(COc2ccccn2)CC1 ZINC000367215750 429597867 /nfs/dbraw/zinc/59/78/67/429597867.db2.gz MICZDZWABRFJSU-KRWDZBQOSA-N 1 3 303.450 2.657 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC(COc2ccccn2)CC1 ZINC000367215750 429597873 /nfs/dbraw/zinc/59/78/73/429597873.db2.gz MICZDZWABRFJSU-KRWDZBQOSA-N 1 3 303.450 2.657 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC(COc2ccccn2)CC1 ZINC000367215750 429597879 /nfs/dbraw/zinc/59/78/79/429597879.db2.gz MICZDZWABRFJSU-KRWDZBQOSA-N 1 3 303.450 2.657 20 0 DFADHO CC(C)CC(=O)N1CCC(C[N@@H+]2CCC[C@H](N(C)C)CC2)CC1 ZINC000367252559 429605781 /nfs/dbraw/zinc/60/57/81/429605781.db2.gz NETARAPAVBNLKR-SFHVURJKSA-N 1 3 323.525 2.687 20 0 DFADHO CC(C)CC(=O)N1CCC(C[N@H+]2CCC[C@H](N(C)C)CC2)CC1 ZINC000367252559 429605785 /nfs/dbraw/zinc/60/57/85/429605785.db2.gz NETARAPAVBNLKR-SFHVURJKSA-N 1 3 323.525 2.687 20 0 DFADHO CCC[NH+]1CCC(NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000429422556 429607353 /nfs/dbraw/zinc/60/73/53/429607353.db2.gz ZSNWMWMYHBJVQQ-RTBURBONSA-N 1 3 320.452 2.756 20 0 DFADHO OC[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1c1ccc(F)cc1 ZINC000429407607 429607974 /nfs/dbraw/zinc/60/79/74/429607974.db2.gz JXFMRGPSIDMENA-AKHDSKFASA-N 1 3 318.436 2.508 20 0 DFADHO OC[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccc(F)cc1 ZINC000429407607 429607978 /nfs/dbraw/zinc/60/79/78/429607978.db2.gz JXFMRGPSIDMENA-AKHDSKFASA-N 1 3 318.436 2.508 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000429430557 429608626 /nfs/dbraw/zinc/60/86/26/429608626.db2.gz RYBCDTQAWCKBDL-CSJNCLCHSA-N 1 3 320.452 2.610 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000429430557 429608631 /nfs/dbraw/zinc/60/86/31/429608631.db2.gz RYBCDTQAWCKBDL-CSJNCLCHSA-N 1 3 320.452 2.610 20 0 DFADHO OC[C@H](CC(F)F)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000429453795 429609927 /nfs/dbraw/zinc/60/99/27/429609927.db2.gz RWLPWJIGNWXAQO-LTIDMASMSA-N 1 3 324.415 2.503 20 0 DFADHO OC[C@H](CC(F)F)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000429453795 429609928 /nfs/dbraw/zinc/60/99/28/429609928.db2.gz RWLPWJIGNWXAQO-LTIDMASMSA-N 1 3 324.415 2.503 20 0 DFADHO OC[C@H](CC(F)F)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000429453795 429609932 /nfs/dbraw/zinc/60/99/32/429609932.db2.gz RWLPWJIGNWXAQO-LTIDMASMSA-N 1 3 324.415 2.503 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)[C@H](C)C1 ZINC000429460194 429610029 /nfs/dbraw/zinc/61/00/29/429610029.db2.gz XENYQWQLLOQGNC-FCLVOEFKSA-N 1 3 320.452 2.612 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)[C@H](C)C1 ZINC000429460194 429610033 /nfs/dbraw/zinc/61/00/33/429610033.db2.gz XENYQWQLLOQGNC-FCLVOEFKSA-N 1 3 320.452 2.612 20 0 DFADHO Cc1cccc2c1ncc(C)c2NC[C@@H]1CCC[N@@H+]1CCCO ZINC000450599980 429659305 /nfs/dbraw/zinc/65/93/05/429659305.db2.gz UQCPBQOKKNWUDC-INIZCTEOSA-N 1 3 313.445 2.532 20 0 DFADHO Cc1cccc2c1ncc(C)c2NC[C@@H]1CCC[N@H+]1CCCO ZINC000450599980 429659308 /nfs/dbraw/zinc/65/93/08/429659308.db2.gz UQCPBQOKKNWUDC-INIZCTEOSA-N 1 3 313.445 2.532 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000155621953 276199358 /nfs/dbraw/zinc/19/93/58/276199358.db2.gz BEFSAJUZVKOAHP-NVXWUHKLSA-N 1 3 319.493 2.909 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1F ZINC000367603084 429681581 /nfs/dbraw/zinc/68/15/81/429681581.db2.gz YDYUWZPMVCUIIX-UHOSZYNNSA-N 1 3 319.468 2.850 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1F ZINC000367603084 429681587 /nfs/dbraw/zinc/68/15/87/429681587.db2.gz YDYUWZPMVCUIIX-UHOSZYNNSA-N 1 3 319.468 2.850 20 0 DFADHO CN(C)Cc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)ccc1F ZINC000367603084 429681592 /nfs/dbraw/zinc/68/15/92/429681592.db2.gz YDYUWZPMVCUIIX-UHOSZYNNSA-N 1 3 319.468 2.850 20 0 DFADHO CSc1ccccc1NC(=O)CCN(C)CC(C)(C)C[NH3+] ZINC000430545608 429689053 /nfs/dbraw/zinc/68/90/53/429689053.db2.gz IDBNVHVJULPYOZ-UHFFFAOYSA-N 1 3 309.479 2.654 20 0 DFADHO CSc1ccccc1NC(=O)CC[N@H+](C)CC(C)(C)CN ZINC000430545608 429689056 /nfs/dbraw/zinc/68/90/56/429689056.db2.gz IDBNVHVJULPYOZ-UHFFFAOYSA-N 1 3 309.479 2.654 20 0 DFADHO CSc1ccccc1NC(=O)CC[N@@H+](C)CC(C)(C)CN ZINC000430545608 429689059 /nfs/dbraw/zinc/68/90/59/429689059.db2.gz IDBNVHVJULPYOZ-UHFFFAOYSA-N 1 3 309.479 2.654 20 0 DFADHO Cc1nn(C)c(C)c1CN(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000367687008 429699860 /nfs/dbraw/zinc/69/98/60/429699860.db2.gz MUWCCVPGRIUIRC-UHFFFAOYSA-N 1 3 313.449 2.533 20 0 DFADHO C[N@H+](CCCc1nc(-c2ccccc2)no1)CC(C)(C)CN ZINC000430576343 429695887 /nfs/dbraw/zinc/69/58/87/429695887.db2.gz BIRNGHRGBRCVKM-UHFFFAOYSA-N 1 3 302.422 2.586 20 0 DFADHO C[N@@H+](CCCc1nc(-c2ccccc2)no1)CC(C)(C)CN ZINC000430576343 429695891 /nfs/dbraw/zinc/69/58/91/429695891.db2.gz BIRNGHRGBRCVKM-UHFFFAOYSA-N 1 3 302.422 2.586 20 0 DFADHO CCN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361527791 276366163 /nfs/dbraw/zinc/36/61/63/276366163.db2.gz SXNDEHUGSYKCEX-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO CCN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361527791 276366165 /nfs/dbraw/zinc/36/61/65/276366165.db2.gz SXNDEHUGSYKCEX-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO CC(C)[C@H]([NH3+])CCN(C)CCCc1nc(-c2ccccc2)no1 ZINC000430591527 429697922 /nfs/dbraw/zinc/69/79/22/429697922.db2.gz KIBZBNNAICMGHQ-MRXNPFEDSA-N 1 3 316.449 2.974 20 0 DFADHO CC(C)C(C[NH+]1CCC(CN2CCN(C)CC2)CC1)C(C)C ZINC000367690044 429701819 /nfs/dbraw/zinc/70/18/19/429701819.db2.gz TUJGOLZJTQIODC-UHFFFAOYSA-N 1 3 309.542 2.874 20 0 DFADHO CC[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@H]1CCOC1 ZINC000482436598 429727055 /nfs/dbraw/zinc/72/70/55/429727055.db2.gz IYWKNFMDDTWMDR-AABGKKOBSA-N 1 3 316.489 2.956 20 0 DFADHO CCCN(CCCOc1ccc2c(c1)OCO2)C1CC[NH2+]CC1 ZINC000431097190 429741328 /nfs/dbraw/zinc/74/13/28/429741328.db2.gz CQIZKJPQYADFEZ-UHFFFAOYSA-N 1 3 320.433 2.648 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)C[C@@H]1CCCCC1(F)F ZINC000451041419 429754297 /nfs/dbraw/zinc/75/42/97/429754297.db2.gz NNCCLWNRMXQFNC-HNNXBMFYSA-N 1 3 305.457 2.627 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@@H]1CCCCC1(F)F ZINC000451041419 429754300 /nfs/dbraw/zinc/75/43/00/429754300.db2.gz NNCCLWNRMXQFNC-HNNXBMFYSA-N 1 3 305.457 2.627 20 0 DFADHO Cc1cc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccn1 ZINC000527535942 429758635 /nfs/dbraw/zinc/75/86/35/429758635.db2.gz VXOOENJFKNMWKW-CALCHBBNSA-N 1 3 317.477 2.711 20 0 DFADHO Cc1cc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccn1 ZINC000527535942 429758640 /nfs/dbraw/zinc/75/86/40/429758640.db2.gz VXOOENJFKNMWKW-CALCHBBNSA-N 1 3 317.477 2.711 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000451070360 429761160 /nfs/dbraw/zinc/76/11/60/429761160.db2.gz OLYJJJJCVTVPDI-NEWSRXKRSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000451070360 429761165 /nfs/dbraw/zinc/76/11/65/429761165.db2.gz OLYJJJJCVTVPDI-NEWSRXKRSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@H]1CCCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000431749388 429780448 /nfs/dbraw/zinc/78/04/48/429780448.db2.gz KVAHYJPDPSOMTO-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]1CCCN(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000431749388 429780451 /nfs/dbraw/zinc/78/04/51/429780451.db2.gz KVAHYJPDPSOMTO-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]1CCCN(CCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000431748857 429781626 /nfs/dbraw/zinc/78/16/26/429781626.db2.gz JCLJPVOXPJZHNC-WMZOPIPTSA-N 1 3 317.477 2.528 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)OC)c1 ZINC000527930784 429822798 /nfs/dbraw/zinc/82/27/98/429822798.db2.gz WAHDOBHUHICMNW-YRXWBPOGSA-N 1 3 318.461 2.845 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)OC)c1 ZINC000527930784 429822801 /nfs/dbraw/zinc/82/28/01/429822801.db2.gz WAHDOBHUHICMNW-YRXWBPOGSA-N 1 3 318.461 2.845 20 0 DFADHO OC1CC(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000432427589 429824107 /nfs/dbraw/zinc/82/41/07/429824107.db2.gz ZRIKDVOSAJIWDT-KMMPOOCJSA-N 1 3 314.473 2.648 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CC45CC(C4)CO5)[C@@H]3C2)cc1 ZINC000527982103 429830833 /nfs/dbraw/zinc/83/08/33/429830833.db2.gz QLNPWSLBZAAEJN-YJGITHLRSA-N 1 3 312.457 2.666 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)Cc1ccccc1 ZINC000368375101 429838369 /nfs/dbraw/zinc/83/83/69/429838369.db2.gz RMAIKEZGNLYQHB-PKOBYXMFSA-N 1 3 315.505 2.623 20 0 DFADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CC4COC4)[C@H]3C2)cc1 ZINC000528024951 429839113 /nfs/dbraw/zinc/83/91/13/429839113.db2.gz FHZXYLLGRRPMSX-UFYCRDLUSA-N 1 3 314.473 2.913 20 0 DFADHO c1ccc2c(c1)CC[C@H](NC1CC[NH+](C3CCC3)CC1)CO2 ZINC000493895318 429848686 /nfs/dbraw/zinc/84/86/86/429848686.db2.gz WIFLSYOCKWIANX-KRWDZBQOSA-N 1 3 300.446 2.987 20 0 DFADHO CC1=C[C@H](C)C[C@@H](C[NH+]2CCC(CN3CCN(C)CC3)CC2)C1 ZINC000368219247 429810446 /nfs/dbraw/zinc/81/04/46/429810446.db2.gz AUVWXULWVMCVRC-FXAWDEMLSA-N 1 3 319.537 2.938 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@@H]1CC12CC2 ZINC000527857987 429810546 /nfs/dbraw/zinc/81/05/46/429810546.db2.gz GHBVYLBOCKHCSY-YJBOKZPZSA-N 1 3 302.462 2.948 20 0 DFADHO Cc1cccc2c1ncc(C)c2N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000368965735 429904155 /nfs/dbraw/zinc/90/41/55/429904155.db2.gz VRJANERNWGUMIP-MRXNPFEDSA-N 1 3 313.445 2.745 20 0 DFADHO Cc1cccc2c1ncc(C)c2N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000368965735 429904157 /nfs/dbraw/zinc/90/41/57/429904157.db2.gz VRJANERNWGUMIP-MRXNPFEDSA-N 1 3 313.445 2.745 20 0 DFADHO CC(C)CC[C@@H](O)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000573476591 429955893 /nfs/dbraw/zinc/95/58/93/429955893.db2.gz UTVZSIKZFDZQKC-VQTJNVASSA-N 1 3 318.505 2.938 20 0 DFADHO CC(C)CC[C@@H](O)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000573476591 429955896 /nfs/dbraw/zinc/95/58/96/429955896.db2.gz UTVZSIKZFDZQKC-VQTJNVASSA-N 1 3 318.505 2.938 20 0 DFADHO CC(C)CC[C@@H](O)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000573476591 429955902 /nfs/dbraw/zinc/95/59/02/429955902.db2.gz UTVZSIKZFDZQKC-VQTJNVASSA-N 1 3 318.505 2.938 20 0 DFADHO CN(C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000558348674 429967625 /nfs/dbraw/zinc/96/76/25/429967625.db2.gz CMJKTDNYNVWJEK-MSOLQXFVSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000558348674 429967627 /nfs/dbraw/zinc/96/76/27/429967627.db2.gz CMJKTDNYNVWJEK-MSOLQXFVSA-N 1 3 317.477 2.670 20 0 DFADHO C[NH+]1CCC2(CCN(Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000639760676 429972774 /nfs/dbraw/zinc/97/27/74/429972774.db2.gz ZPFJWADOGQPWMS-UHFFFAOYSA-N 1 3 310.445 2.790 20 0 DFADHO CCN(C(=O)CN1CCC2(C1)CC[NH+](C)CC2)C1CCCCC1 ZINC000639760845 429972871 /nfs/dbraw/zinc/97/28/71/429972871.db2.gz BIBHRECICFRTIU-UHFFFAOYSA-N 1 3 321.509 2.585 20 0 DFADHO CC[C@]1(CN[C@H]2CC[N@H+](C)C[C@H]2C)OCCc2ccccc21 ZINC000558500702 429975291 /nfs/dbraw/zinc/97/52/91/429975291.db2.gz JTUSYJUWPVWSFE-AYOQOUSVSA-N 1 3 302.462 2.794 20 0 DFADHO CC[C@]1(CN[C@H]2CC[N@@H+](C)C[C@H]2C)OCCc2ccccc21 ZINC000558500702 429975293 /nfs/dbraw/zinc/97/52/93/429975293.db2.gz JTUSYJUWPVWSFE-AYOQOUSVSA-N 1 3 302.462 2.794 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCCNC1 ZINC000573792994 429982953 /nfs/dbraw/zinc/98/29/53/429982953.db2.gz CRFKLUOEWKIQLB-JYJNAYRXSA-N 1 3 305.441 2.630 20 0 DFADHO Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H](N(C)C)C2)c(C)c1 ZINC000573437433 429950912 /nfs/dbraw/zinc/95/09/12/429950912.db2.gz AIVPBPAJXYTRKQ-OKZBNKHCSA-N 1 3 320.477 2.506 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccncc1Cl ZINC000529566699 430031915 /nfs/dbraw/zinc/03/19/15/430031915.db2.gz FRRBWHHNZXJANS-INIZCTEOSA-N 1 3 324.900 2.583 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccncc1Cl ZINC000529566699 430031920 /nfs/dbraw/zinc/03/19/20/430031920.db2.gz FRRBWHHNZXJANS-INIZCTEOSA-N 1 3 324.900 2.583 20 0 DFADHO CC(C)[NH+](CCNC(=O)c1ccccc1CN(C)C)C(C)C ZINC000560364550 430036197 /nfs/dbraw/zinc/03/61/97/430036197.db2.gz YABXBCXAOPKGFN-UHFFFAOYSA-N 1 3 305.466 2.597 20 0 DFADHO COCCN(C)CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000574415134 430040248 /nfs/dbraw/zinc/04/02/48/430040248.db2.gz SYQLFIOYRAXBRH-FHWLQOOXSA-N 1 3 319.493 2.556 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCNCC(C)(C)C1)CC2 ZINC000634733617 430092661 /nfs/dbraw/zinc/09/26/61/430092661.db2.gz JRADOPJZRLHDGF-DLBZAZTESA-N 1 3 302.462 2.920 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734004 430093165 /nfs/dbraw/zinc/09/31/65/430093165.db2.gz UNZNLJFJRLSQHZ-BBRMVZONSA-N 1 3 321.440 2.911 20 0 DFADHO COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCN(C(C)C)C1)C2 ZINC000561976899 430103392 /nfs/dbraw/zinc/10/33/92/430103392.db2.gz VVDHWBYHCRHFFB-WBVHZDCISA-N 1 3 302.462 2.872 20 0 DFADHO COc1cccc([C@H](C)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530243008 430108133 /nfs/dbraw/zinc/10/81/33/430108133.db2.gz WFHDIWSTLWHLGX-KXBFYZLASA-N 1 3 318.461 2.847 20 0 DFADHO Cc1ncc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)s1 ZINC000639995381 430050585 /nfs/dbraw/zinc/05/05/85/430050585.db2.gz KRJFATHFHZHBMP-CQSZACIVSA-N 1 3 310.511 2.518 20 0 DFADHO COCC1(NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000560557744 430054899 /nfs/dbraw/zinc/05/48/99/430054899.db2.gz YFFLGDKIIGLFSK-SJLPKXTDSA-N 1 3 324.509 2.815 20 0 DFADHO COCC1([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000560557744 430054903 /nfs/dbraw/zinc/05/49/03/430054903.db2.gz YFFLGDKIIGLFSK-SJLPKXTDSA-N 1 3 324.509 2.815 20 0 DFADHO COCC1(NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000560556372 430055570 /nfs/dbraw/zinc/05/55/70/430055570.db2.gz DHIBDXBJIYEJMU-FUHWJXTLSA-N 1 3 324.509 2.815 20 0 DFADHO COCC1([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000560556372 430055574 /nfs/dbraw/zinc/05/55/74/430055574.db2.gz DHIBDXBJIYEJMU-FUHWJXTLSA-N 1 3 324.509 2.815 20 0 DFADHO O[C@]1(CN[C@H]2C[C@@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634643555 430062619 /nfs/dbraw/zinc/06/26/19/430062619.db2.gz DRBXLUMTVMLBFA-HKBOAZHASA-N 1 3 322.452 2.769 20 0 DFADHO O[C@]1(CN[C@H]2C[C@@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634643555 430062621 /nfs/dbraw/zinc/06/26/21/430062621.db2.gz DRBXLUMTVMLBFA-HKBOAZHASA-N 1 3 322.452 2.769 20 0 DFADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634679348 430074343 /nfs/dbraw/zinc/07/43/43/430074343.db2.gz RMCBUCRODRKQHK-MRXNPFEDSA-N 1 3 306.450 2.674 20 0 DFADHO O[C@]1(CNCC2=CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634715455 430087221 /nfs/dbraw/zinc/08/72/21/430087221.db2.gz CXMVQGWHNDMZMY-IBGZPJMESA-N 1 3 300.446 2.713 20 0 DFADHO O[C@]1(CNCC2=CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715455 430087225 /nfs/dbraw/zinc/08/72/25/430087225.db2.gz CXMVQGWHNDMZMY-IBGZPJMESA-N 1 3 300.446 2.713 20 0 DFADHO COc1ccc(CCC[NH2+][C@@H](C)[C@@H]2CCCNC2)cc1OC ZINC000562747979 430176529 /nfs/dbraw/zinc/17/65/29/430176529.db2.gz DQSVQSRGVRJBIC-GOEBONIOSA-N 1 3 306.450 2.614 20 0 DFADHO C[C@H]([NH3+])C1CCN(Cc2cccc(-c3ccc(N)cc3)n2)CC1 ZINC000634990986 430185267 /nfs/dbraw/zinc/18/52/67/430185267.db2.gz KTENJCQXIGJFPA-AWEZNQCLSA-N 1 3 310.445 2.890 20 0 DFADHO CN1CCCN(CCC[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000128568154 277051612 /nfs/dbraw/zinc/05/16/12/277051612.db2.gz DMNOFFYZULOQQY-LJQANCHMSA-N 1 3 301.478 2.681 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000371322556 277060342 /nfs/dbraw/zinc/06/03/42/277060342.db2.gz ZTQNLSBTTQSAGD-ZWKOTPCHSA-N 1 3 321.509 2.585 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000371322556 277060343 /nfs/dbraw/zinc/06/03/43/277060343.db2.gz ZTQNLSBTTQSAGD-ZWKOTPCHSA-N 1 3 321.509 2.585 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000371322556 277060346 /nfs/dbraw/zinc/06/03/46/277060346.db2.gz ZTQNLSBTTQSAGD-ZWKOTPCHSA-N 1 3 321.509 2.585 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000371322556 277060347 /nfs/dbraw/zinc/06/03/47/277060347.db2.gz ZTQNLSBTTQSAGD-ZWKOTPCHSA-N 1 3 321.509 2.585 20 0 DFADHO NC[C@H]([NH2+]Cc1cccc(-c2ccc(N)cc2)n1)C1CCCC1 ZINC000634995822 430187173 /nfs/dbraw/zinc/18/71/73/430187173.db2.gz POVOJMNDGUJXIW-IBGZPJMESA-N 1 3 310.445 2.938 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635005061 430194427 /nfs/dbraw/zinc/19/44/27/430194427.db2.gz LQMCFOYVHNOHIV-LRQZZLGCSA-N 1 3 309.251 2.803 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635005061 430194431 /nfs/dbraw/zinc/19/44/31/430194431.db2.gz LQMCFOYVHNOHIV-LRQZZLGCSA-N 1 3 309.251 2.803 20 0 DFADHO C[C@H](N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000635001421 430191133 /nfs/dbraw/zinc/19/11/33/430191133.db2.gz RVFAQYBAYYRSEG-LZXBYKIDSA-N 1 3 321.262 2.675 20 0 DFADHO C[C@]1(CN[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[NH2+]C1 ZINC000635001160 430191579 /nfs/dbraw/zinc/19/15/79/430191579.db2.gz IOPCTTAGHVKGBP-JJXSEGSLSA-N 1 3 321.262 2.676 20 0 DFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(F)cc1 ZINC000635007643 430194055 /nfs/dbraw/zinc/19/40/55/430194055.db2.gz FTLQIKZONVFMQP-CYBMUJFWSA-N 1 3 300.381 2.803 20 0 DFADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000581357461 430200704 /nfs/dbraw/zinc/20/07/04/430200704.db2.gz VAEAIIMTKKPBBJ-KFWWJZLASA-N 1 3 300.450 2.862 20 0 DFADHO COc1cccc2c1CC[C@@H]([NH2+]Cc1cccc3c1CCNC3)C2 ZINC000635009577 430195724 /nfs/dbraw/zinc/19/57/24/430195724.db2.gz HUHHJBFSCUJWIS-GOSISDBHSA-N 1 3 322.452 2.988 20 0 DFADHO c1ccc2c(c1)OCCC[C@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010549 430196451 /nfs/dbraw/zinc/19/64/51/430196451.db2.gz SXZWABAWBJHWRX-QGZVFWFLSA-N 1 3 324.428 2.817 20 0 DFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc(F)c1F ZINC000635008451 430196585 /nfs/dbraw/zinc/19/65/85/430196585.db2.gz JXIFMIKAFUCDAV-GFCCVEGCSA-N 1 3 318.371 2.943 20 0 DFADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc2c(c1)OCO2 ZINC000635019554 430198056 /nfs/dbraw/zinc/19/80/56/430198056.db2.gz HWEQEYGJINKQQM-ZDUSSCGKSA-N 1 3 310.397 2.912 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CN(C)CC(C)(C)C ZINC000635323838 430256042 /nfs/dbraw/zinc/25/60/42/430256042.db2.gz DMZHTMMGHMIRKF-INIZCTEOSA-N 1 3 311.514 2.735 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CN(C)CC(C)(C)C ZINC000635323838 430256047 /nfs/dbraw/zinc/25/60/47/430256047.db2.gz DMZHTMMGHMIRKF-INIZCTEOSA-N 1 3 311.514 2.735 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635425758 430276724 /nfs/dbraw/zinc/27/67/24/430276724.db2.gz OHGWVJXTVFOWAE-SFHVURJKSA-N 1 3 321.509 2.582 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635425758 430276728 /nfs/dbraw/zinc/27/67/28/430276728.db2.gz OHGWVJXTVFOWAE-SFHVURJKSA-N 1 3 321.509 2.582 20 0 DFADHO CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635448641 430281706 /nfs/dbraw/zinc/28/17/06/430281706.db2.gz WYRKHPJWZXNAEG-GOSISDBHSA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)CC[C@H](N)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000638068692 430225751 /nfs/dbraw/zinc/22/57/51/430225751.db2.gz WTXDLLKQQVDAHA-ZACQAIPSSA-N 1 3 311.514 2.624 20 0 DFADHO C[C@@H](O)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000542834676 430228028 /nfs/dbraw/zinc/22/80/28/430228028.db2.gz SJVOZGCFDJLRJE-OQIJWPOYSA-N 1 3 302.462 2.648 20 0 DFADHO CCN1CCN(c2ccccc2N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000582295400 430287827 /nfs/dbraw/zinc/28/78/27/430287827.db2.gz HBXUDVRCLQLLJC-SJORKVTESA-N 1 3 316.493 2.629 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@@H]2C)[C@]12CCCO2 ZINC000638302680 430299785 /nfs/dbraw/zinc/29/97/85/430299785.db2.gz KWOYSOWWCRLULH-WNRNVDISSA-N 1 3 310.482 2.567 20 0 DFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCCCN2)C1 ZINC000567985721 430302311 /nfs/dbraw/zinc/30/23/11/430302311.db2.gz NZAGQLHWUKOTGC-JKSUJKDBSA-N 1 3 309.498 2.535 20 0 DFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCCCN2)C1 ZINC000567985721 430302317 /nfs/dbraw/zinc/30/23/17/430302317.db2.gz NZAGQLHWUKOTGC-JKSUJKDBSA-N 1 3 309.498 2.535 20 0 DFADHO COc1cc(C[C@H](C)NC2CC[NH+](CC(C)C)CC2)ccn1 ZINC000638348547 430311170 /nfs/dbraw/zinc/31/11/70/430311170.db2.gz OFGSYPRAGLLASC-HNNXBMFYSA-N 1 3 305.466 2.731 20 0 DFADHO [NH3+][C@@H](CCC(=O)Nc1ccc2c(c1)CNCC2)c1ccccc1 ZINC000568058727 430311278 /nfs/dbraw/zinc/31/12/78/430311278.db2.gz ZUARWLGYAFSGSS-SFHVURJKSA-N 1 3 309.413 2.751 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC[C@@H](O)CC(F)(F)F ZINC000568077367 430314634 /nfs/dbraw/zinc/31/46/34/430314634.db2.gz ORFDLRYLGWYIOP-HNNXBMFYSA-N 1 3 318.383 2.931 20 0 DFADHO C[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2cccn2)c(F)c1 ZINC000568248106 430338328 /nfs/dbraw/zinc/33/83/28/430338328.db2.gz HQYTTWMWEUWPNH-SNPRPXQTSA-N 1 3 302.397 2.932 20 0 DFADHO Cc1ccc2c(c1)CC[C@H]2NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638426067 430338775 /nfs/dbraw/zinc/33/87/75/430338775.db2.gz SFWPUVBJVNSYCS-GOSISDBHSA-N 1 3 302.462 2.807 20 0 DFADHO CN(C)CCOc1ccccc1C[NH2+]CCC1CCOCC1 ZINC000638444854 430344384 /nfs/dbraw/zinc/34/43/84/430344384.db2.gz JYQFZUORQZBHJE-UHFFFAOYSA-N 1 3 306.450 2.533 20 0 DFADHO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000638722468 430416502 /nfs/dbraw/zinc/41/65/02/430416502.db2.gz YEQRHYPKHWTCHS-DOTOQJQBSA-N 1 3 321.509 2.820 20 0 DFADHO C[C@@H](C[C@H]1CCCC(=O)N1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000638722468 430416506 /nfs/dbraw/zinc/41/65/06/430416506.db2.gz YEQRHYPKHWTCHS-DOTOQJQBSA-N 1 3 321.509 2.820 20 0 DFADHO OCc1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000638521830 430366951 /nfs/dbraw/zinc/36/69/51/430366951.db2.gz QEZXNPXHTSLRCA-NRFANRHFSA-N 1 3 324.468 2.833 20 0 DFADHO Cc1cccc2c1CC[C@H]2NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638545853 430373615 /nfs/dbraw/zinc/37/36/15/430373615.db2.gz VYUAYGUDXYFXIH-GOSISDBHSA-N 1 3 302.462 2.807 20 0 DFADHO Cc1cccc2c1CC[C@@H]2NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638545857 430373811 /nfs/dbraw/zinc/37/38/11/430373811.db2.gz VYUAYGUDXYFXIH-SFHVURJKSA-N 1 3 302.462 2.807 20 0 DFADHO C[C@H](NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000568618665 430375485 /nfs/dbraw/zinc/37/54/85/430375485.db2.gz OKXBVZGTCJJOBA-JYJNAYRXSA-N 1 3 307.507 2.863 20 0 DFADHO CSc1ccc([C@H](CN[C@H](C)[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000583257277 430377873 /nfs/dbraw/zinc/37/78/73/430377873.db2.gz XBOCADYFXPHYIV-HFTRVMKXSA-N 1 3 321.534 2.989 20 0 DFADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)[C@@H]1CC2CCC1CC2 ZINC000638587431 430381255 /nfs/dbraw/zinc/38/12/55/430381255.db2.gz CMIUJHUIXROJNK-WIQMORTESA-N 1 3 319.537 2.959 20 0 DFADHO CC[NH+]1CCC(NCCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000568750700 430388259 /nfs/dbraw/zinc/38/82/59/430388259.db2.gz FMRMPUZXWDCWMI-UHFFFAOYSA-N 1 3 309.841 2.743 20 0 DFADHO CCn1c2ccccc2nc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000568761790 430389385 /nfs/dbraw/zinc/38/93/85/430389385.db2.gz IMKWWMXXXJGOBR-HOTGVXAUSA-N 1 3 312.461 2.878 20 0 DFADHO CN(C)CCc1ccccc1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635834212 430390232 /nfs/dbraw/zinc/39/02/32/430390232.db2.gz DDBFYSHMLKNGOP-UHFFFAOYSA-N 1 3 315.461 2.605 20 0 DFADHO COCC[N@H+](C)CC[C@H](NCC1(O)CCCC1)c1ccccc1 ZINC000583495347 430401631 /nfs/dbraw/zinc/40/16/31/430401631.db2.gz ZXLZBWUWZXKSNQ-SFHVURJKSA-N 1 3 320.477 2.591 20 0 DFADHO COCC[N@@H+](C)CC[C@H](NCC1(O)CCCC1)c1ccccc1 ZINC000583495347 430401633 /nfs/dbraw/zinc/40/16/33/430401633.db2.gz ZXLZBWUWZXKSNQ-SFHVURJKSA-N 1 3 320.477 2.591 20 0 DFADHO C[C@@H]1C[C@@H]1c1ccc(CN(C)CCC[N@H+](C)CCN(C)C)o1 ZINC000583532757 430403006 /nfs/dbraw/zinc/40/30/06/430403006.db2.gz QJORPKWGNJWRLH-WBVHZDCISA-N 1 3 307.482 2.718 20 0 DFADHO C[C@@H]1C[C@@H]1c1ccc(CN(C)CCC[N@@H+](C)CCN(C)C)o1 ZINC000583532757 430403010 /nfs/dbraw/zinc/40/30/10/430403010.db2.gz QJORPKWGNJWRLH-WBVHZDCISA-N 1 3 307.482 2.718 20 0 DFADHO C[C@@H]1C[C@@H]1c1ccc(CN(C)CCCN(C)CC[NH+](C)C)o1 ZINC000583532757 430403014 /nfs/dbraw/zinc/40/30/14/430403014.db2.gz QJORPKWGNJWRLH-WBVHZDCISA-N 1 3 307.482 2.718 20 0 DFADHO C[C@H](C(=O)N(C)CCCC[NH+]1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000641662234 430437139 /nfs/dbraw/zinc/43/71/39/430437139.db2.gz ZVJIKIRUWDTENJ-FGTMMUONSA-N 1 3 323.525 2.972 20 0 DFADHO C[C@H](O)[C@](C)(CN[C@@H](C)[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000583928628 430442777 /nfs/dbraw/zinc/44/27/77/430442777.db2.gz MEMMXIPVBVZEHC-CAMMJAKZSA-N 1 3 304.478 2.594 20 0 DFADHO C[C@H](O)[C@](C)(C[NH2+][C@@H](C)[C@H]1CCCNC1)Cc1ccccc1 ZINC000583928628 430442781 /nfs/dbraw/zinc/44/27/81/430442781.db2.gz MEMMXIPVBVZEHC-CAMMJAKZSA-N 1 3 304.478 2.594 20 0 DFADHO C[C@@H]([N@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000548113910 430447748 /nfs/dbraw/zinc/44/77/48/430447748.db2.gz OJPJQCYENZDPIN-WBVHZDCISA-N 1 3 319.493 2.772 20 0 DFADHO C[C@@H]([N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000548113910 430447750 /nfs/dbraw/zinc/44/77/50/430447750.db2.gz OJPJQCYENZDPIN-WBVHZDCISA-N 1 3 319.493 2.772 20 0 DFADHO [NH3+]C[C@@H](NCc1cc(-n2ccnc2)cs1)C1CCCCC1 ZINC000569452049 430455048 /nfs/dbraw/zinc/45/50/48/430455048.db2.gz KJUZUCJTAQEWEX-MRXNPFEDSA-N 1 3 304.463 2.931 20 0 DFADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](N)CCC(C)C)CC1 ZINC000638862285 430458997 /nfs/dbraw/zinc/45/89/97/430458997.db2.gz QWMLYOXQNHGNKV-INIZCTEOSA-N 1 3 309.498 2.617 20 0 DFADHO CC1(C)[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)C[C@@H]1N ZINC000641802810 430476935 /nfs/dbraw/zinc/47/69/35/430476935.db2.gz PHAXOYOGFYKWHE-QWHCGFSZSA-N 1 3 302.340 2.800 20 0 DFADHO C[C@@H]([NH2+]C1CC(n2cccn2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000638973182 430484496 /nfs/dbraw/zinc/48/44/96/430484496.db2.gz YFIDRLXOTSZYTK-RSIVFMTNSA-N 1 3 302.466 2.829 20 0 DFADHO COC[C@H](CN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)OC ZINC000638973160 430485036 /nfs/dbraw/zinc/48/50/36/430485036.db2.gz XZUMQGOZKFXJFT-NZSAHSFTSA-N 1 3 318.461 2.606 20 0 DFADHO COC[C@H](CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)OC ZINC000638973160 430485038 /nfs/dbraw/zinc/48/50/38/430485038.db2.gz XZUMQGOZKFXJFT-NZSAHSFTSA-N 1 3 318.461 2.606 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000638976491 430486036 /nfs/dbraw/zinc/48/60/36/430486036.db2.gz ISTPWMZDCHEGQE-YAJHFMINSA-N 1 3 314.473 2.779 20 0 DFADHO C[C@@H]1CCN(CC[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000569832403 430490078 /nfs/dbraw/zinc/49/00/78/430490078.db2.gz YAGKELRFMASNDV-NEWSRXKRSA-N 1 3 301.478 2.753 20 0 DFADHO C[NH+](C)[C@H]1CCC[C@H](NCCC(=O)Nc2cccc(F)c2)C1 ZINC000569921087 430498718 /nfs/dbraw/zinc/49/87/18/430498718.db2.gz OEPLZPZWEVNIAM-HOCLYGCPSA-N 1 3 307.413 2.617 20 0 DFADHO CN(C)[C@H]1CCC[C@H]([NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000569921087 430498724 /nfs/dbraw/zinc/49/87/24/430498724.db2.gz OEPLZPZWEVNIAM-HOCLYGCPSA-N 1 3 307.413 2.617 20 0 DFADHO C[C@H](C(=O)N1CC[C@H](C[NH3+])c2ccccc21)[C@H](N)c1ccccc1 ZINC000639069614 430510674 /nfs/dbraw/zinc/51/06/74/430510674.db2.gz YUCLZCSIYGSGGZ-GMBSWORKSA-N 1 3 323.440 2.802 20 0 DFADHO N[C@H](CC(=O)N1CC[C@H](C[NH3+])c2ccccc21)c1ccccc1 ZINC000639067651 430511299 /nfs/dbraw/zinc/51/12/99/430511299.db2.gz KFUYZQFCAHSULZ-NVXWUHKLSA-N 1 3 309.413 2.556 20 0 DFADHO C[C@H](C(=O)N1CC[C@@H](C[NH3+])c2ccccc21)N1CCCCCC1 ZINC000639067674 430511385 /nfs/dbraw/zinc/51/13/85/430511385.db2.gz KTWBXLGTFBLFKO-CVEARBPZSA-N 1 3 315.461 2.730 20 0 DFADHO C[C@@H]1CC[C@@H](C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)O1 ZINC000249121635 277775944 /nfs/dbraw/zinc/77/59/44/277775944.db2.gz SVBZBWDTWFYUHY-MTNOOBJLSA-N 1 3 324.509 2.765 20 0 DFADHO CC(C)C[C@H](CNC(=O)[C@@H](N)C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000570160028 430518536 /nfs/dbraw/zinc/51/85/36/430518536.db2.gz UOEPXNHVGOJHRU-NXHRZFHOSA-N 1 3 319.493 2.851 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2cnc(-c3ccccc3)nc2)C1 ZINC000570174922 430521012 /nfs/dbraw/zinc/52/10/12/430521012.db2.gz LHARHTMEHNCAQC-INIZCTEOSA-N 1 3 310.445 2.965 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2cnc(-c3ccccc3)nc2)C1 ZINC000570174922 430521017 /nfs/dbraw/zinc/52/10/17/430521017.db2.gz LHARHTMEHNCAQC-INIZCTEOSA-N 1 3 310.445 2.965 20 0 DFADHO C[C@H]1C[C@@H](CCNCc2cnccn2)C[N@@H+]1Cc1ccccc1 ZINC000570176980 430522016 /nfs/dbraw/zinc/52/20/16/430522016.db2.gz KHAICYOELRTPLM-FUHWJXTLSA-N 1 3 310.445 2.867 20 0 DFADHO C[C@H]1C[C@@H](CCNCc2cnccn2)C[N@H+]1Cc1ccccc1 ZINC000570176980 430522019 /nfs/dbraw/zinc/52/20/19/430522019.db2.gz KHAICYOELRTPLM-FUHWJXTLSA-N 1 3 310.445 2.867 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000642630958 430522969 /nfs/dbraw/zinc/52/29/69/430522969.db2.gz SHQHVKPJJNYCOC-CGTJXYLNSA-N 1 3 315.461 2.929 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000642630958 430522972 /nfs/dbraw/zinc/52/29/72/430522972.db2.gz SHQHVKPJJNYCOC-CGTJXYLNSA-N 1 3 315.461 2.929 20 0 DFADHO CC(C)(O)C[NH+]1CCC(NC[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000639100466 430525074 /nfs/dbraw/zinc/52/50/74/430525074.db2.gz WOWRDJKURGCYIQ-QGZVFWFLSA-N 1 3 324.509 2.693 20 0 DFADHO C[C@@H]1C[C@H](Nc2cccc3c2OCC[C@@H]3N(C)C)CC[N@@H+]1C ZINC000639114626 430530285 /nfs/dbraw/zinc/53/02/85/430530285.db2.gz GMEZFRCLRCFAJY-CPUCHLNUSA-N 1 3 303.450 2.966 20 0 DFADHO C[C@@H]1C[C@H](Nc2cccc3c2OCC[C@@H]3N(C)C)CC[N@H+]1C ZINC000639114626 430530290 /nfs/dbraw/zinc/53/02/90/430530290.db2.gz GMEZFRCLRCFAJY-CPUCHLNUSA-N 1 3 303.450 2.966 20 0 DFADHO c1ccc(C[N@@H+]2C[C@H]3CN(CCC[C@@H]4CCO4)C[C@H]3C2)cc1 ZINC000639120799 430532150 /nfs/dbraw/zinc/53/21/50/430532150.db2.gz USQGATMPHCEWPC-CEXWTWQISA-N 1 3 300.446 2.619 20 0 DFADHO c1ccc(C[N@H+]2C[C@H]3CN(CCC[C@@H]4CCO4)C[C@H]3C2)cc1 ZINC000639120799 430532154 /nfs/dbraw/zinc/53/21/54/430532154.db2.gz USQGATMPHCEWPC-CEXWTWQISA-N 1 3 300.446 2.619 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453309 430602527 /nfs/dbraw/zinc/60/25/27/430602527.db2.gz ZVHJUVHCSURSSX-CPUCHLNUSA-N 1 3 307.869 2.754 20 0 DFADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCCCCN1 ZINC000570572054 430554563 /nfs/dbraw/zinc/55/45/63/430554563.db2.gz XBLQBLXBAVJHSE-GOSISDBHSA-N 1 3 315.461 2.796 20 0 DFADHO CC(C)C1(CNCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000639185853 430561933 /nfs/dbraw/zinc/56/19/33/430561933.db2.gz VQLAZVDNNXZMGE-UHFFFAOYSA-N 1 3 305.466 2.938 20 0 DFADHO COc1ccc2[nH]cc(CC[NH2+][C@@H](C)[C@H]3CCCNC3)c2c1 ZINC000643453868 430602563 /nfs/dbraw/zinc/60/25/63/430602563.db2.gz DQUJNDHBYSFDMU-KBPBESRZSA-N 1 3 301.434 2.697 20 0 DFADHO O=C(C[NH2+]CCC1CCCCC1)NCCN1CCCCCC1 ZINC000552064656 430582759 /nfs/dbraw/zinc/58/27/59/430582759.db2.gz FWDUVQXKUVTWHH-UHFFFAOYSA-N 1 3 309.498 2.539 20 0 DFADHO C[S@@](=O)Cc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000552086431 430583989 /nfs/dbraw/zinc/58/39/89/430583989.db2.gz GXUNUXVZSULOSC-JOCHJYFZSA-N 1 3 320.502 2.529 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000552247700 430592320 /nfs/dbraw/zinc/59/23/20/430592320.db2.gz XVRJBYHZGBUBGE-DLVXIWMQSA-N 1 3 313.489 2.900 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000552247700 430592323 /nfs/dbraw/zinc/59/23/23/430592323.db2.gz XVRJBYHZGBUBGE-DLVXIWMQSA-N 1 3 313.489 2.900 20 0 DFADHO CC[C@H](N)C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000571043171 430598840 /nfs/dbraw/zinc/59/88/40/430598840.db2.gz BOGJPXNQIMTYES-PVAVHDDUSA-N 1 3 305.466 2.605 20 0 DFADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000550700402 430544511 /nfs/dbraw/zinc/54/45/11/430544511.db2.gz HVOUHJSGSMMBNQ-AEFFLSMTSA-N 1 3 302.462 2.948 20 0 DFADHO C[C@H](NC[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000643453200 430602954 /nfs/dbraw/zinc/60/29/54/430602954.db2.gz ONYFTIIQGFRYTN-ZNMIVQPWSA-N 1 3 307.869 2.754 20 0 DFADHO O=c1ccc2c([nH]1)CCC[C@@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000552922573 430603180 /nfs/dbraw/zinc/60/31/80/430603180.db2.gz JWODPEFAUQSTHW-INIZCTEOSA-N 1 3 301.434 2.629 20 0 DFADHO CC[C@@](C)(C[NH2+]CC1CCN(Cc2ccncc2)CC1)OC ZINC000639312206 430605485 /nfs/dbraw/zinc/60/54/85/430605485.db2.gz SVUDHCCPJNJNID-SFHVURJKSA-N 1 3 305.466 2.698 20 0 DFADHO c1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)sn1 ZINC000639310334 430605680 /nfs/dbraw/zinc/60/56/80/430605680.db2.gz FUQHFVWAXVJVOD-UHFFFAOYSA-N 1 3 302.447 2.540 20 0 DFADHO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1C[C@H](N)c3ccccc31)C2 ZINC000643477731 430607179 /nfs/dbraw/zinc/60/71/79/430607179.db2.gz IAMWLYVXGLXWTD-JEBQAFNWSA-N 1 3 310.397 2.733 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000643493627 430608077 /nfs/dbraw/zinc/60/80/77/430608077.db2.gz ZLBIEZSHJSTURP-LTIDMASMSA-N 1 3 320.481 2.541 20 0 DFADHO C[C@@H](NCCc1cc(C(F)(F)F)ccn1)[C@@H]1CCC[NH2+]C1 ZINC000643491030 430608309 /nfs/dbraw/zinc/60/83/09/430608309.db2.gz ROFWGQNYKDXJGS-VXGBXAGGSA-N 1 3 301.356 2.621 20 0 DFADHO CC(C)[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000643521832 430613312 /nfs/dbraw/zinc/61/33/12/430613312.db2.gz CPSCPVWCMDUGFW-XJKSGUPXSA-N 1 3 303.406 2.962 20 0 DFADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1-n1ccnn1 ZINC000643523746 430613357 /nfs/dbraw/zinc/61/33/57/430613357.db2.gz OPVFOQYRCDCQKQ-AWEZNQCLSA-N 1 3 319.412 2.721 20 0 DFADHO CO[C@H](C[NH2+]C[C@H]1CCCN(CC2CC2)C1)Cc1ccccc1 ZINC000639338804 430614233 /nfs/dbraw/zinc/61/42/33/430614233.db2.gz WTBHYLCCVMVQTF-UXHICEINSA-N 1 3 316.489 2.956 20 0 DFADHO CO[C@@H](C[NH2+]C[C@H]1CCCN(CC2CC2)C1)Cc1ccccc1 ZINC000639338807 430614756 /nfs/dbraw/zinc/61/47/56/430614756.db2.gz WTBHYLCCVMVQTF-WOJBJXKFSA-N 1 3 316.489 2.956 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546680 430615681 /nfs/dbraw/zinc/61/56/81/430615681.db2.gz SQSQMFQJGAIRMG-JKSUJKDBSA-N 1 3 315.461 2.692 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546680 430615685 /nfs/dbraw/zinc/61/56/85/430615685.db2.gz SQSQMFQJGAIRMG-JKSUJKDBSA-N 1 3 315.461 2.692 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000639518342 430661041 /nfs/dbraw/zinc/66/10/41/430661041.db2.gz FEGUCVLRAVRLLH-VQIMIIECSA-N 1 3 300.446 2.675 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000639518342 430661044 /nfs/dbraw/zinc/66/10/44/430661044.db2.gz FEGUCVLRAVRLLH-VQIMIIECSA-N 1 3 300.446 2.675 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000639518342 430661048 /nfs/dbraw/zinc/66/10/48/430661048.db2.gz FEGUCVLRAVRLLH-VQIMIIECSA-N 1 3 300.446 2.675 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000639518342 430661050 /nfs/dbraw/zinc/66/10/50/430661050.db2.gz FEGUCVLRAVRLLH-VQIMIIECSA-N 1 3 300.446 2.675 20 0 DFADHO C[C@@H](CCNCCC(=O)Nc1ccccc1)[NH+]1CCCCC1 ZINC000571397619 430625231 /nfs/dbraw/zinc/62/52/31/430625231.db2.gz MHYWFOWVCSRZLX-INIZCTEOSA-N 1 3 303.450 2.869 20 0 DFADHO C[C@@H](CC[NH2+]CCC(=O)Nc1ccccc1)N1CCCCC1 ZINC000571397619 430625234 /nfs/dbraw/zinc/62/52/34/430625234.db2.gz MHYWFOWVCSRZLX-INIZCTEOSA-N 1 3 303.450 2.869 20 0 DFADHO CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000554095005 430627369 /nfs/dbraw/zinc/62/73/69/430627369.db2.gz ASSJIYBFUPLCMD-FUMNGEBKSA-N 1 3 316.489 2.751 20 0 DFADHO CCOc1cc(C[NH2+]C2CC(N(C)C)C2)ccc1OC(F)F ZINC000571940518 430663544 /nfs/dbraw/zinc/66/35/44/430663544.db2.gz XLPYLAJIQPJUBW-UHFFFAOYSA-N 1 3 314.376 2.869 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc3c2CCOC3)[C@H](C)C1 ZINC000639531843 430664219 /nfs/dbraw/zinc/66/42/19/430664219.db2.gz BMZNUDNDEAMKDQ-BEFAXECRSA-N 1 3 302.462 2.921 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc3c2CCOC3)[C@H](C)C1 ZINC000639531843 430664222 /nfs/dbraw/zinc/66/42/22/430664222.db2.gz BMZNUDNDEAMKDQ-BEFAXECRSA-N 1 3 302.462 2.921 20 0 DFADHO C[C@@H](CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000371425602 278242657 /nfs/dbraw/zinc/24/26/57/278242657.db2.gz TXHJRGJJUADSIC-FXAWDEMLSA-N 1 3 315.505 2.890 20 0 DFADHO C[C@@H](CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000371425602 278242658 /nfs/dbraw/zinc/24/26/58/278242658.db2.gz TXHJRGJJUADSIC-FXAWDEMLSA-N 1 3 315.505 2.890 20 0 DFADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000664719786 430729626 /nfs/dbraw/zinc/72/96/26/430729626.db2.gz ZPWMRMDZPSJSQC-HOCLYGCPSA-N 1 3 305.466 2.559 20 0 DFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000664719786 430729633 /nfs/dbraw/zinc/72/96/33/430729633.db2.gz ZPWMRMDZPSJSQC-HOCLYGCPSA-N 1 3 305.466 2.559 20 0 DFADHO C[C@H]1C[C@@H](NCCOCC[NH+](C)C)c2ccsc2S1 ZINC000219312146 278481810 /nfs/dbraw/zinc/48/18/10/278481810.db2.gz KEWXUGRDASNXCO-WCQYABFASA-N 1 3 300.493 2.841 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000644583795 430760873 /nfs/dbraw/zinc/76/08/73/430760873.db2.gz KMSZJLSKWOOXOZ-CABCVRRESA-N 1 3 321.440 2.925 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000644583795 430760875 /nfs/dbraw/zinc/76/08/75/430760875.db2.gz KMSZJLSKWOOXOZ-CABCVRRESA-N 1 3 321.440 2.925 20 0 DFADHO COC1([C@@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)CCC1 ZINC000657910722 430765412 /nfs/dbraw/zinc/76/54/12/430765412.db2.gz WVWQUZIDUCQEGI-OAHLLOKOSA-N 1 3 303.450 2.845 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)ccn1 ZINC000657935670 430771352 /nfs/dbraw/zinc/77/13/52/430771352.db2.gz NLPAQYJBEYVKMM-SOLBZPMBSA-N 1 3 317.477 2.936 20 0 DFADHO COC[C@@H](CC1CCOCC1)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000657972402 430779586 /nfs/dbraw/zinc/77/95/86/430779586.db2.gz GEXWMHGJXIVROV-SJLPKXTDSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@@H](CC1CCOCC1)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000657972402 430779590 /nfs/dbraw/zinc/77/95/90/430779590.db2.gz GEXWMHGJXIVROV-SJLPKXTDSA-N 1 3 312.498 2.672 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648419169 430780899 /nfs/dbraw/zinc/78/08/99/430780899.db2.gz ZZPNUMQBFRIHCB-FQEVSTJZSA-N 1 3 315.505 2.551 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)[C@H]1C[C@H]1C ZINC000658135291 430821238 /nfs/dbraw/zinc/82/12/38/430821238.db2.gz CZLKIXKVHGPKHA-FCLVOEFKSA-N 1 3 302.462 2.777 20 0 DFADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@]1(C)CCCO1 ZINC000658166810 430832805 /nfs/dbraw/zinc/83/28/05/430832805.db2.gz PGSRKMUEHLYTCE-QFBILLFUSA-N 1 3 317.477 2.841 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@]1(C)CCCO1 ZINC000658166806 430833028 /nfs/dbraw/zinc/83/30/28/430833028.db2.gz PGSRKMUEHLYTCE-APWZRJJASA-N 1 3 317.477 2.841 20 0 DFADHO CC[C@H]1C[C@H]([NH2+]Cc2ccccc2OCCN(C)C)CCO1 ZINC000648438097 430787017 /nfs/dbraw/zinc/78/70/17/430787017.db2.gz LECLSNOWTHCYTO-SJORKVTESA-N 1 3 306.450 2.674 20 0 DFADHO C[N@@H+]1C[C@@H](CN[C@@H]2COC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000658041627 430791023 /nfs/dbraw/zinc/79/10/23/430791023.db2.gz DUPCZJBYNHDYDL-SQNIBIBYSA-N 1 3 300.446 2.633 20 0 DFADHO C[N@H+]1C[C@@H](CN[C@@H]2COC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000658041627 430791028 /nfs/dbraw/zinc/79/10/28/430791028.db2.gz DUPCZJBYNHDYDL-SQNIBIBYSA-N 1 3 300.446 2.633 20 0 DFADHO COC[C@@H](CC(C)(C)C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000651720917 430858310 /nfs/dbraw/zinc/85/83/10/430858310.db2.gz OBWMMUNTFRUXQE-IXDOHACOSA-N 1 3 314.514 2.917 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000665234734 430864707 /nfs/dbraw/zinc/86/47/07/430864707.db2.gz JMQWBBDCERURAQ-DZKIICNBSA-N 1 3 307.869 2.883 20 0 DFADHO Cc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000665245235 430866559 /nfs/dbraw/zinc/86/65/59/430866559.db2.gz CILPUGDWXKJZLD-GBESFXJTSA-N 1 3 302.462 2.593 20 0 DFADHO C[C@H]1[C@@H](O)CCCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648723993 430869990 /nfs/dbraw/zinc/86/99/90/430869990.db2.gz LCYMPBNDISHDFH-LPHOPBHVSA-N 1 3 318.461 2.506 20 0 DFADHO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCCOC1 ZINC000665253333 430870464 /nfs/dbraw/zinc/87/04/64/430870464.db2.gz OASCIALIURPWCI-MJXUCMMTSA-N 1 3 324.415 2.815 20 0 DFADHO CO[C@H]1CCC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000665257497 430873421 /nfs/dbraw/zinc/87/34/21/430873421.db2.gz LJRVHJAZJKTORM-WNRNVDISSA-N 1 3 306.425 2.818 20 0 DFADHO Cc1cccnc1CC[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000648736969 430875464 /nfs/dbraw/zinc/87/54/64/430875464.db2.gz AIXJFYSIOHXYPR-UHFFFAOYSA-N 1 3 313.445 2.663 20 0 DFADHO CC[C@H](NCC1(CC(=O)NC)CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000665274982 430879730 /nfs/dbraw/zinc/87/97/30/430879730.db2.gz ADTCTFJKOLLRQA-HOTGVXAUSA-N 1 3 309.498 2.583 20 0 DFADHO COc1ccccc1-c1cc(CNC2CCC([NH3+])CC2)on1 ZINC000665299897 430891662 /nfs/dbraw/zinc/89/16/62/430891662.db2.gz VDURUHZJADBNDC-UHFFFAOYSA-N 1 3 301.390 2.710 20 0 DFADHO CC[N@H+](CCCN[C@@H]1CCC(=O)NC1(C)C)C1CCCCC1 ZINC000651910463 430913490 /nfs/dbraw/zinc/91/34/90/430913490.db2.gz UTZJDSLULBXHIN-MRXNPFEDSA-N 1 3 309.498 2.678 20 0 DFADHO CC[N@@H+](CCCN[C@@H]1CCC(=O)NC1(C)C)C1CCCCC1 ZINC000651910463 430913494 /nfs/dbraw/zinc/91/34/94/430913494.db2.gz UTZJDSLULBXHIN-MRXNPFEDSA-N 1 3 309.498 2.678 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]C[C@]2(O)CCCC2(C)C)cc1 ZINC000645191677 430929089 /nfs/dbraw/zinc/92/90/89/430929089.db2.gz GLQGLFDWPMUVQZ-LJQANCHMSA-N 1 3 320.477 2.658 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCC34CCCC4)C2)CC1 ZINC000645408962 430994316 /nfs/dbraw/zinc/99/43/16/430994316.db2.gz MDGBTQPZLZLJJK-SJLPKXTDSA-N 1 3 305.510 2.857 20 0 DFADHO CN(C/C=C/C[N@H+](C)CC1=CCSC1)CC1=CCSC1 ZINC000662266681 431023826 /nfs/dbraw/zinc/02/38/26/431023826.db2.gz KYVJHNOOOAXZQM-ONEGZZNKSA-N 1 3 310.532 2.753 20 0 DFADHO CN(C/C=C/C[N@@H+](C)CC1=CCSC1)CC1=CCSC1 ZINC000662266681 431023832 /nfs/dbraw/zinc/02/38/32/431023832.db2.gz KYVJHNOOOAXZQM-ONEGZZNKSA-N 1 3 310.532 2.753 20 0 DFADHO CC1(C)CN[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000645780425 431069284 /nfs/dbraw/zinc/06/92/84/431069284.db2.gz KPUBYFNJDXNICE-KRWDZBQOSA-N 1 3 315.461 2.999 20 0 DFADHO [NH3+]CCC[C@H](NC(=O)C[C@@H]1NCc2ccccc21)c1ccccc1 ZINC000659322995 431026610 /nfs/dbraw/zinc/02/66/10/431026610.db2.gz UKEYYVXEHWVEPD-OALUTQOASA-N 1 3 323.440 2.817 20 0 DFADHO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)c1 ZINC000662278256 431031034 /nfs/dbraw/zinc/03/10/34/431031034.db2.gz DBBGCMSOVIKQJM-SJLPKXTDSA-N 1 3 300.446 2.961 20 0 DFADHO Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)c1 ZINC000662278256 431031038 /nfs/dbraw/zinc/03/10/38/431031038.db2.gz DBBGCMSOVIKQJM-SJLPKXTDSA-N 1 3 300.446 2.961 20 0 DFADHO c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c2c(c1)CNCC2 ZINC000662284641 431031762 /nfs/dbraw/zinc/03/17/62/431031762.db2.gz YNPPJHRJBXXPGJ-PKOBYXMFSA-N 1 3 300.446 2.723 20 0 DFADHO c1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c2c(c1)CNCC2 ZINC000662284641 431031766 /nfs/dbraw/zinc/03/17/66/431031766.db2.gz YNPPJHRJBXXPGJ-PKOBYXMFSA-N 1 3 300.446 2.723 20 0 DFADHO FC(F)(F)[C@@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC12CCC2 ZINC000662280828 431032258 /nfs/dbraw/zinc/03/22/58/431032258.db2.gz GCHXACWCUHRCHL-QWHCGFSZSA-N 1 3 318.383 2.562 20 0 DFADHO c1ccc(C[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662283497 431032584 /nfs/dbraw/zinc/03/25/84/431032584.db2.gz UEESQYOLKSTSSU-IPMKNSEASA-N 1 3 314.473 2.899 20 0 DFADHO Clc1ccc([C@@H]([NH2+]C[C@H]2CCC3(CNC3)O2)C2CC2)cc1 ZINC000662283570 431032696 /nfs/dbraw/zinc/03/26/96/431032696.db2.gz VEKWHWRRRFWLPD-CVEARBPZSA-N 1 3 306.837 2.902 20 0 DFADHO Fc1ccccc1C[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662286960 431034286 /nfs/dbraw/zinc/03/42/86/431034286.db2.gz VFQGQVMPMJZWAH-IAGOWNOFSA-N 1 3 318.436 2.744 20 0 DFADHO Fc1ccccc1C[C@H]1CCCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662286960 431034289 /nfs/dbraw/zinc/03/42/89/431034289.db2.gz VFQGQVMPMJZWAH-IAGOWNOFSA-N 1 3 318.436 2.744 20 0 DFADHO C[C@@H](C(=O)NC1CCCCC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290640 431036234 /nfs/dbraw/zinc/03/62/34/431036234.db2.gz HDAQSOLDMPUCHD-RDJZCZTQSA-N 1 3 321.509 2.535 20 0 DFADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297801 431037484 /nfs/dbraw/zinc/03/74/84/431037484.db2.gz RYJBCORMPWHXJW-WMZOPIPTSA-N 1 3 323.525 2.591 20 0 DFADHO CC1(C)CN[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000645780426 431069820 /nfs/dbraw/zinc/06/98/20/431069820.db2.gz KPUBYFNJDXNICE-QGZVFWFLSA-N 1 3 315.461 2.999 20 0 DFADHO CC(C)([NH3+])CCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000649278987 431055593 /nfs/dbraw/zinc/05/55/93/431055593.db2.gz QBAJFMWOILVTBB-CYBMUJFWSA-N 1 3 309.479 2.519 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccsc1 ZINC000649292671 431057503 /nfs/dbraw/zinc/05/75/03/431057503.db2.gz YHZLOAORWGFAJJ-NUEKZKHPSA-N 1 3 323.506 2.622 20 0 DFADHO CCC[N@H+](C[C@H]1CCC2(CNC2)O1)[C@@H]1CCc2ccccc21 ZINC000662252262 431015354 /nfs/dbraw/zinc/01/53/54/431015354.db2.gz NFVSEMOGRPQWBL-SJLPKXTDSA-N 1 3 300.446 2.907 20 0 DFADHO CCC[N@@H+](C[C@H]1CCC2(CNC2)O1)[C@@H]1CCc2ccccc21 ZINC000662252262 431015355 /nfs/dbraw/zinc/01/53/55/431015355.db2.gz NFVSEMOGRPQWBL-SJLPKXTDSA-N 1 3 300.446 2.907 20 0 DFADHO Cc1ccccc1N1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662259322 431018046 /nfs/dbraw/zinc/01/80/46/431018046.db2.gz VBPWBNVIWQAWLG-UHFFFAOYSA-N 1 3 321.468 2.963 20 0 DFADHO CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662258680 431018615 /nfs/dbraw/zinc/01/86/15/431018615.db2.gz YZBMQWPYERKXJW-QZTJIDSGSA-N 1 3 302.462 2.851 20 0 DFADHO CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662258680 431018620 /nfs/dbraw/zinc/01/86/20/431018620.db2.gz YZBMQWPYERKXJW-QZTJIDSGSA-N 1 3 302.462 2.851 20 0 DFADHO Cc1nn(-c2ccc(C)cc2)cc1CNCC1=CC[N@H+](C)CC1 ZINC000655755610 431117738 /nfs/dbraw/zinc/11/77/38/431117738.db2.gz GKXIIYXMDVIECV-UHFFFAOYSA-N 1 3 310.445 2.841 20 0 DFADHO Cc1nn(-c2ccc(C)cc2)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000655755610 431117744 /nfs/dbraw/zinc/11/77/44/431117744.db2.gz GKXIIYXMDVIECV-UHFFFAOYSA-N 1 3 310.445 2.841 20 0 DFADHO Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CC2 ZINC000655762433 431123737 /nfs/dbraw/zinc/12/37/37/431123737.db2.gz FDBUPKNUTSTBSK-SFHVURJKSA-N 1 3 315.505 2.906 20 0 DFADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000662410758 431073776 /nfs/dbraw/zinc/07/37/76/431073776.db2.gz NIFSRQMAHKIQIT-YJBOKZPZSA-N 1 3 319.493 2.937 20 0 DFADHO Cc1ccc([C@@H](CNC(=O)C[C@H]([NH3+])C(C)C)N2CCCC2)cc1 ZINC000645801976 431076422 /nfs/dbraw/zinc/07/64/22/431076422.db2.gz YLINIFGZDRSEEH-ZWKOTPCHSA-N 1 3 317.477 2.622 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662419273 431076601 /nfs/dbraw/zinc/07/66/01/431076601.db2.gz XSDXFYJQMCFFSX-GOSISDBHSA-N 1 3 315.461 2.602 20 0 DFADHO Cc1cc2c(c(C)c1)[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)CC2 ZINC000655687458 431082678 /nfs/dbraw/zinc/08/26/78/431082678.db2.gz POWNZROUQHKCLL-IBGZPJMESA-N 1 3 315.505 2.906 20 0 DFADHO C(CC1CC[NH2+]CC1)CN1CCN(CC2CCCCC2)CC1 ZINC000649411701 431094248 /nfs/dbraw/zinc/09/42/48/431094248.db2.gz UWNPVHAZWNOYEI-UHFFFAOYSA-N 1 3 307.526 2.964 20 0 DFADHO COc1c(C)cnc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000649417993 431096380 /nfs/dbraw/zinc/09/63/80/431096380.db2.gz TXRCBPOYIXRXEL-DLBZAZTESA-N 1 3 317.477 2.919 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000178158691 288102812 /nfs/dbraw/zinc/10/28/12/288102812.db2.gz NDFCZZNXJQTQEK-MDZRGWNJSA-N 1 3 307.526 2.959 20 0 DFADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074139 279098797 /nfs/dbraw/zinc/09/87/97/279098797.db2.gz IFDJPMQIPDLWIU-KRWDZBQOSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000178158714 288105630 /nfs/dbraw/zinc/10/56/30/288105630.db2.gz NDFCZZNXJQTQEK-GPMSIDNRSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000089214962 288101428 /nfs/dbraw/zinc/10/14/28/288101428.db2.gz JQQZQVHHAQELDL-GJYPPUQNSA-N 1 3 316.493 2.616 20 0 DFADHO C[C@@]1(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)CC[NH2+]C1 ZINC000262064548 279159547 /nfs/dbraw/zinc/15/95/47/279159547.db2.gz RMCNLROOCBRXPG-SMDDNHRTSA-N 1 3 316.371 2.608 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000319385456 279247402 /nfs/dbraw/zinc/24/74/02/279247402.db2.gz KJETXUPSDCGFDR-DJIMGWMZSA-N 1 3 301.434 2.620 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000319385456 279247403 /nfs/dbraw/zinc/24/74/03/279247403.db2.gz KJETXUPSDCGFDR-DJIMGWMZSA-N 1 3 301.434 2.620 20 0 DFADHO C[C@H](CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237566679 279340247 /nfs/dbraw/zinc/34/02/47/279340247.db2.gz PHZASWRAAFILFU-XLMAVXFVSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H](CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000237566679 279340251 /nfs/dbraw/zinc/34/02/51/279340251.db2.gz PHZASWRAAFILFU-XLMAVXFVSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H](C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)CN(C)C ZINC000293824172 279348214 /nfs/dbraw/zinc/34/82/14/279348214.db2.gz WFXFLTZEVQNURH-KGLIPLIRSA-N 1 3 318.465 2.819 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)CN1CCCC1 ZINC000366075713 279349434 /nfs/dbraw/zinc/34/94/34/279349434.db2.gz XBIFWCKGSUPACB-IXDOHACOSA-N 1 3 304.482 2.768 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662695970 431164710 /nfs/dbraw/zinc/16/47/10/431164710.db2.gz RNXCZRBZORDBMX-GJZGRUSLSA-N 1 3 321.509 2.521 20 0 DFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000662692858 431165106 /nfs/dbraw/zinc/16/51/06/431165106.db2.gz GZJLAMVBXUJMFG-BBWFWOEESA-N 1 3 309.498 2.521 20 0 DFADHO CC(C)[NH2+]CCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000646071462 431169933 /nfs/dbraw/zinc/16/99/33/431169933.db2.gz NWRIEGGBHWNMQJ-PBHICJAKSA-N 1 3 323.506 2.635 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1[NH2+]CCC1(C)C)c1ccccc1 ZINC000662719458 431174113 /nfs/dbraw/zinc/17/41/13/431174113.db2.gz ZTXPRXGDUBQXKM-HOCLYGCPSA-N 1 3 317.477 2.620 20 0 DFADHO C[NH+](C)[C@H]1C[C@@H](CNCc2csc(-c3ccccn3)n2)C1 ZINC000655827670 431174644 /nfs/dbraw/zinc/17/46/44/431174644.db2.gz XOLCGPYVDUXTLE-XBXGTLAGSA-N 1 3 302.447 2.635 20 0 DFADHO CC(C)CC[NH+]1CCC(CNC(=O)C2(NC3CC3)CCC2)CC1 ZINC000662750396 431182934 /nfs/dbraw/zinc/18/29/34/431182934.db2.gz DGQXJEMCFPBFKQ-UHFFFAOYSA-N 1 3 321.509 2.535 20 0 DFADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)C[C@@H]3CCCN3C)C2)s1 ZINC000649603433 431191959 /nfs/dbraw/zinc/19/19/59/431191959.db2.gz MFQPPZYMSSJMJZ-SJORKVTESA-N 1 3 321.534 2.904 20 0 DFADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)C[C@@H]3CCCN3C)C2)s1 ZINC000649603433 431191963 /nfs/dbraw/zinc/19/19/63/431191963.db2.gz MFQPPZYMSSJMJZ-SJORKVTESA-N 1 3 321.534 2.904 20 0 DFADHO CC(C)C1CCC(N2CCN(C[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000649549980 431153610 /nfs/dbraw/zinc/15/36/10/431153610.db2.gz ZBHDUOWMFOYEFM-CTWPCTMYSA-N 1 3 307.526 2.913 20 0 DFADHO CC(C)C1CCC(N2CCN(C[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000649549980 431153615 /nfs/dbraw/zinc/15/36/15/431153615.db2.gz ZBHDUOWMFOYEFM-CTWPCTMYSA-N 1 3 307.526 2.913 20 0 DFADHO CC(C)C1CCC(N2CCN(C[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000649549979 431153996 /nfs/dbraw/zinc/15/39/96/431153996.db2.gz ZBHDUOWMFOYEFM-ACBHZAAOSA-N 1 3 307.526 2.913 20 0 DFADHO CC(C)C1CCC(N2CCN(C[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000649549979 431154001 /nfs/dbraw/zinc/15/40/01/431154001.db2.gz ZBHDUOWMFOYEFM-ACBHZAAOSA-N 1 3 307.526 2.913 20 0 DFADHO Cc1c([C@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)nnn1-c1ccccc1 ZINC000655805541 431158643 /nfs/dbraw/zinc/15/86/43/431158643.db2.gz ITALNEXJXZHHQG-JLJPHGGASA-N 1 3 313.449 2.567 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663002306 431254403 /nfs/dbraw/zinc/25/44/03/431254403.db2.gz CYFQHXMGGAGLEA-ROUUACIJSA-N 1 3 321.509 2.522 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663002306 431254410 /nfs/dbraw/zinc/25/44/10/431254410.db2.gz CYFQHXMGGAGLEA-ROUUACIJSA-N 1 3 321.509 2.522 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000653152284 431284145 /nfs/dbraw/zinc/28/41/45/431284145.db2.gz HVRLLGYIRJASDK-SJORKVTESA-N 1 3 301.434 2.526 20 0 DFADHO CC(C)[NH2+]CCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646410082 431300377 /nfs/dbraw/zinc/30/03/77/431300377.db2.gz PRFVHELYXMTYIQ-SFHVURJKSA-N 1 3 317.477 2.718 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000656196921 431306629 /nfs/dbraw/zinc/30/66/29/431306629.db2.gz VWABQPJKOWUPLI-YLQAJVPDSA-N 1 3 301.434 2.956 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCC[NH2+]CC1)c1ccsc1 ZINC000653110064 431269719 /nfs/dbraw/zinc/26/97/19/431269719.db2.gz WSAPOBSQAVQRON-HOCLYGCPSA-N 1 3 323.506 2.637 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H]1CCCCO1 ZINC000656276683 431351271 /nfs/dbraw/zinc/35/12/71/431351271.db2.gz IBRSQCAUQVMWDX-QZTJIDSGSA-N 1 3 303.450 2.988 20 0 DFADHO Clc1ccc(-n2cc(CN[C@H]3CC34CC[NH2+]CC4)cn2)cc1 ZINC000666952110 431422779 /nfs/dbraw/zinc/42/27/79/431422779.db2.gz GINPPOVGWVHCAL-INIZCTEOSA-N 1 3 316.836 2.757 20 0 DFADHO Clc1ccc(-n2cc(CN[C@@H]3CC34CC[NH2+]CC4)cn2)cc1 ZINC000666952111 431422995 /nfs/dbraw/zinc/42/29/95/431422995.db2.gz GINPPOVGWVHCAL-MRXNPFEDSA-N 1 3 316.836 2.757 20 0 DFADHO Cn1cncc1CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000656411111 431377938 /nfs/dbraw/zinc/37/79/38/431377938.db2.gz BSYHQHTUWLKOGK-UHFFFAOYSA-N 1 3 304.482 2.551 20 0 DFADHO CC[C@@H](C[NH+]1CCCC1)NCCC(=O)N(C)c1ccccc1 ZINC000663359439 431384587 /nfs/dbraw/zinc/38/45/87/431384587.db2.gz LOOBNUCPXBMUGV-INIZCTEOSA-N 1 3 303.450 2.504 20 0 DFADHO C[C@@H](CCNCCC(=O)N(C)c1ccccc1)[NH+]1CCCCC1 ZINC000663360456 431384888 /nfs/dbraw/zinc/38/48/88/431384888.db2.gz OHXDEQRFJHKAAX-KRWDZBQOSA-N 1 3 317.477 2.894 20 0 DFADHO C[C@@H](CC[NH2+]CCC(=O)N(C)c1ccccc1)N1CCCCC1 ZINC000663360456 431384897 /nfs/dbraw/zinc/38/48/97/431384897.db2.gz OHXDEQRFJHKAAX-KRWDZBQOSA-N 1 3 317.477 2.894 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000666858112 431386226 /nfs/dbraw/zinc/38/62/26/431386226.db2.gz XTBILPBLCGNHBC-GOEBONIOSA-N 1 3 303.450 2.698 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995391 431438549 /nfs/dbraw/zinc/43/85/49/431438549.db2.gz MRKKDIDIJBFNRC-QRQLOZEOSA-N 1 3 313.489 2.771 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@H](C)C1 ZINC000663474684 431439180 /nfs/dbraw/zinc/43/91/80/431439180.db2.gz PGYNGEGSSVQHRY-BXUZGUMPSA-N 1 3 301.356 2.920 20 0 DFADHO CC1(C)C[C@@H](N2CCN(c3cc[nH+]c4ccccc43)CC2)CO1 ZINC000660530771 431475690 /nfs/dbraw/zinc/47/56/90/431475690.db2.gz JZDKDUMTURNWLJ-OAHLLOKOSA-N 1 3 311.429 2.924 20 0 DFADHO CC1(C)C[C@@H]([NH+]2CCN(c3ccnc4ccccc43)CC2)CO1 ZINC000660530771 431475693 /nfs/dbraw/zinc/47/56/93/431475693.db2.gz JZDKDUMTURNWLJ-OAHLLOKOSA-N 1 3 311.429 2.924 20 0 DFADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)[C@H]2CCCO[C@@H]21 ZINC000663471823 431434455 /nfs/dbraw/zinc/43/44/55/431434455.db2.gz YNWYLAJMFXREBE-MLHJIOFPSA-N 1 3 306.494 2.902 20 0 DFADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)[C@@H]2CCCO[C@@H]21 ZINC000663471822 431436470 /nfs/dbraw/zinc/43/64/70/431436470.db2.gz YNWYLAJMFXREBE-FJIDUMEYSA-N 1 3 306.494 2.902 20 0 DFADHO COc1cc(C)nc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656781999 431520467 /nfs/dbraw/zinc/52/04/67/431520467.db2.gz CBMKUXKKEFBADC-INIZCTEOSA-N 1 3 303.450 2.610 20 0 DFADHO CCOc1cccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000656784567 431520892 /nfs/dbraw/zinc/52/08/92/431520892.db2.gz FMEFMVYJKPMSDY-INIZCTEOSA-N 1 3 303.450 2.692 20 0 DFADHO c1cc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c2c(c1)OCCO2 ZINC000656786400 431522182 /nfs/dbraw/zinc/52/21/82/431522182.db2.gz SDJOZHLTXQMEEF-INIZCTEOSA-N 1 3 316.445 2.669 20 0 DFADHO COc1cccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1OC ZINC000656786669 431522245 /nfs/dbraw/zinc/52/22/45/431522245.db2.gz WCPQYULVTYCHPT-MRXNPFEDSA-N 1 3 318.461 2.915 20 0 DFADHO COc1cc(C)c(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c(C)n1 ZINC000656785873 431522336 /nfs/dbraw/zinc/52/23/36/431522336.db2.gz KHNPQRNHQCSHHM-QGZVFWFLSA-N 1 3 317.477 2.919 20 0 DFADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc(OC)c1 ZINC000656785152 431522681 /nfs/dbraw/zinc/52/26/81/431522681.db2.gz JQMDBPQDPWDZKP-KRWDZBQOSA-N 1 3 318.461 2.915 20 0 DFADHO COc1cc(C)c(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c(C)n1 ZINC000656785870 431522930 /nfs/dbraw/zinc/52/29/30/431522930.db2.gz KHNPQRNHQCSHHM-KRWDZBQOSA-N 1 3 317.477 2.919 20 0 DFADHO COc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1OC ZINC000656786642 431523102 /nfs/dbraw/zinc/52/31/02/431523102.db2.gz VJWVXDAOAKOBRH-QGZVFWFLSA-N 1 3 318.461 2.915 20 0 DFADHO COc1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1O ZINC000656784763 431523281 /nfs/dbraw/zinc/52/32/81/431523281.db2.gz HAUCWYLZGMQZIN-MRXNPFEDSA-N 1 3 304.434 2.612 20 0 DFADHO c1cc2c(cc1CNCc1ccc3c(c1)CCCN3)C[NH2+]CC2 ZINC000656787060 431523538 /nfs/dbraw/zinc/52/35/38/431523538.db2.gz SKZCFEJAPYOWCH-UHFFFAOYSA-N 1 3 307.441 2.980 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)NCC1([NH3+])CCCC1 ZINC000656789735 431525412 /nfs/dbraw/zinc/52/54/12/431525412.db2.gz WQVZQAIVFWDGDJ-OAHLLOKOSA-N 1 3 306.450 2.886 20 0 DFADHO CC[C@@H]([NH2+]CC(=O)NC1CCN(CC)CC1)C1CCCCC1 ZINC000663667572 431490647 /nfs/dbraw/zinc/49/06/47/431490647.db2.gz UWENDQGMQQPMJJ-QGZVFWFLSA-N 1 3 309.498 2.535 20 0 DFADHO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647344742 431561047 /nfs/dbraw/zinc/56/10/47/431561047.db2.gz YHPDCRIJVNECBN-BJZITVGISA-N 1 3 312.461 2.725 20 0 DFADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000660659102 431534648 /nfs/dbraw/zinc/53/46/48/431534648.db2.gz MWPCXSGPRNJAIP-LJQANCHMSA-N 1 3 311.429 2.858 20 0 DFADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000660659102 431534651 /nfs/dbraw/zinc/53/46/51/431534651.db2.gz MWPCXSGPRNJAIP-LJQANCHMSA-N 1 3 311.429 2.858 20 0 DFADHO COc1ccc([C@H](CC(C)C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000647284228 431537234 /nfs/dbraw/zinc/53/72/34/431537234.db2.gz IJUGJBMPIMQOKL-MJGOQNOKSA-N 1 3 320.477 2.829 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)N1CCCCC1 ZINC000354783300 280174363 /nfs/dbraw/zinc/17/43/63/280174363.db2.gz FWTDBABPBUPPFE-ZWKOTPCHSA-N 1 3 323.525 2.734 20 0 DFADHO c1cn(-c2csc(CN(C3CC3)C3CC[NH2+]CC3)c2)cn1 ZINC000647482535 431602528 /nfs/dbraw/zinc/60/25/28/431602528.db2.gz NAVLVYKRYSJNNY-UHFFFAOYSA-N 1 3 302.447 2.650 20 0 DFADHO c1cn(-c2csc(C[N@H+](C3CC3)C3CCNCC3)c2)cn1 ZINC000647482535 431602532 /nfs/dbraw/zinc/60/25/32/431602532.db2.gz NAVLVYKRYSJNNY-UHFFFAOYSA-N 1 3 302.447 2.650 20 0 DFADHO c1cn(-c2csc(C[N@@H+](C3CC3)C3CCNCC3)c2)cn1 ZINC000647482535 431602537 /nfs/dbraw/zinc/60/25/37/431602537.db2.gz NAVLVYKRYSJNNY-UHFFFAOYSA-N 1 3 302.447 2.650 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C/C=C\c3ccccc3)C2)C1 ZINC000650706571 431652669 /nfs/dbraw/zinc/65/26/69/431652669.db2.gz NPGSOTCCIONIQN-IBTIYMBQSA-N 1 3 300.446 2.918 20 0 DFADHO COc1ccc(C)cc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706474 431654502 /nfs/dbraw/zinc/65/45/02/431654502.db2.gz LQHKEOLCBNBRAF-VDZJLULYSA-N 1 3 318.461 2.722 20 0 DFADHO COCCOc1cccc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000650710879 431657315 /nfs/dbraw/zinc/65/73/15/431657315.db2.gz BLTTWCBVEFMPBR-QAPCUYQASA-N 1 3 306.450 2.661 20 0 DFADHO COc1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000647544274 431624327 /nfs/dbraw/zinc/62/43/27/431624327.db2.gz YWOOGFMGRBLVND-SJORKVTESA-N 1 3 318.461 2.915 20 0 DFADHO c1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000647544168 431624404 /nfs/dbraw/zinc/62/44/04/431624404.db2.gz XSBYUNKTSWARFZ-JKSUJKDBSA-N 1 3 316.445 2.669 20 0 DFADHO COc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1O ZINC000647543877 431625004 /nfs/dbraw/zinc/62/50/04/431625004.db2.gz TVUJASFXAAUPAE-CVEARBPZSA-N 1 3 304.434 2.612 20 0 DFADHO COc1ccc(OC)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543307 431626051 /nfs/dbraw/zinc/62/60/51/431626051.db2.gz KXFWDWZRHBMNQK-HZPDHXFCSA-N 1 3 318.461 2.915 20 0 DFADHO Cc1cccc2nc(CCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cn21 ZINC000647554268 431630589 /nfs/dbraw/zinc/63/05/89/431630589.db2.gz VOTNTKJLOSGXSU-RCCFBDPRSA-N 1 3 312.461 2.696 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000650741901 431675183 /nfs/dbraw/zinc/67/51/83/431675183.db2.gz NUENTJLUKFAFJW-ZWJWXYIHSA-N 1 3 300.446 2.598 20 0 DFADHO Fc1cc(F)c(F)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1F ZINC000647789590 431687178 /nfs/dbraw/zinc/68/71/78/431687178.db2.gz HQZQDPLYZIWHDZ-LPEHRKFASA-N 1 3 302.315 2.721 20 0 DFADHO c1cn(CCc2ccccc2)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647788713 431687192 /nfs/dbraw/zinc/68/71/92/431687192.db2.gz PDHARZNCYMYXAT-IPMKNSEASA-N 1 3 324.472 2.604 20 0 DFADHO Fc1cccc(OC(F)F)c1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647789318 431687744 /nfs/dbraw/zinc/68/77/44/431687744.db2.gz APFZPFKLDVLQOY-GRYCIOLGSA-N 1 3 314.351 2.905 20 0 DFADHO c1cnc(OC2CCCC2)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647793320 431689275 /nfs/dbraw/zinc/68/92/75/431689275.db2.gz TXZDXZBDBJAVMP-DJIMGWMZSA-N 1 3 315.461 2.881 20 0 DFADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nccn1-c1ccccc1 ZINC000647796781 431690978 /nfs/dbraw/zinc/69/09/78/431690978.db2.gz NSMIJWSJWGUZAX-LUKYLMHMSA-N 1 3 310.445 2.911 20 0 DFADHO C[C@H]([NH2+]CC[C@H]1CSc2ccccc2O1)[C@H]1CCCNC1 ZINC000647801619 431694586 /nfs/dbraw/zinc/69/45/86/431694586.db2.gz ZRZWYHUJDWDORE-KKUMJFAQSA-N 1 3 306.475 2.908 20 0 DFADHO C[C@H](NCC[C@H]1CSc2ccccc2O1)[C@H]1CCC[NH2+]C1 ZINC000647801619 431694591 /nfs/dbraw/zinc/69/45/91/431694591.db2.gz ZRZWYHUJDWDORE-KKUMJFAQSA-N 1 3 306.475 2.908 20 0 DFADHO CC[C@H]1C[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CO1 ZINC000657358480 431698300 /nfs/dbraw/zinc/69/83/00/431698300.db2.gz WYEFDIRWHONPCT-MSOLQXFVSA-N 1 3 318.461 2.818 20 0 DFADHO CC[C@H]1CCCC[N@@H+]1CCNCc1ccnn1-c1ccncc1 ZINC000657359048 431700190 /nfs/dbraw/zinc/70/01/90/431700190.db2.gz QDZKCRWQDPELSE-INIZCTEOSA-N 1 3 313.449 2.621 20 0 DFADHO CC[C@H]1CCCC[N@H+]1CCNCc1ccnn1-c1ccncc1 ZINC000657359048 431700196 /nfs/dbraw/zinc/70/01/96/431700196.db2.gz QDZKCRWQDPELSE-INIZCTEOSA-N 1 3 313.449 2.621 20 0 DFADHO CC[C@H]1CCCCN1CC[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657359048 431700202 /nfs/dbraw/zinc/70/02/02/431700202.db2.gz QDZKCRWQDPELSE-INIZCTEOSA-N 1 3 313.449 2.621 20 0 DFADHO CC[C@H](COC)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000657370574 431705182 /nfs/dbraw/zinc/70/51/82/431705182.db2.gz IYPNGUHFJWPKFM-QGZVFWFLSA-N 1 3 319.493 2.732 20 0 DFADHO CC[C@H](COC)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000657370574 431705185 /nfs/dbraw/zinc/70/51/85/431705185.db2.gz IYPNGUHFJWPKFM-QGZVFWFLSA-N 1 3 319.493 2.732 20 0 DFADHO CC(C)N(C(=O)[C@@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C(C)C ZINC000647975851 431762792 /nfs/dbraw/zinc/76/27/92/431762792.db2.gz GUIDHGNLNSQCNP-SQNIBIBYSA-N 1 3 323.525 2.732 20 0 DFADHO CC[C@H]1c2ccccc2CCN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000647885651 431718015 /nfs/dbraw/zinc/71/80/15/431718015.db2.gz AWZJWFNQFKMUQT-ACRUOGEOSA-N 1 3 324.468 2.927 20 0 DFADHO CC[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000647885651 431718021 /nfs/dbraw/zinc/71/80/21/431718021.db2.gz AWZJWFNQFKMUQT-ACRUOGEOSA-N 1 3 324.468 2.927 20 0 DFADHO CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000647885651 431718023 /nfs/dbraw/zinc/71/80/23/431718023.db2.gz AWZJWFNQFKMUQT-ACRUOGEOSA-N 1 3 324.468 2.927 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(C2CCCC2)CC1 ZINC000647890124 431718562 /nfs/dbraw/zinc/71/85/62/431718562.db2.gz QXYUYDVUASXDEE-PMACEKPBSA-N 1 3 316.489 2.820 20 0 DFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(C2CCCC2)CC1 ZINC000647890124 431718570 /nfs/dbraw/zinc/71/85/70/431718570.db2.gz QXYUYDVUASXDEE-PMACEKPBSA-N 1 3 316.489 2.820 20 0 DFADHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cncc(F)c1 ZINC000657537371 431800708 /nfs/dbraw/zinc/80/07/08/431800708.db2.gz IWHPIFXODMDCPA-CQSZACIVSA-N 1 3 321.440 2.762 20 0 DFADHO CN(CCCC1CC[NH2+]CC1)Cc1cn(C)nc1C(F)(F)F ZINC000647990882 431766386 /nfs/dbraw/zinc/76/63/86/431766386.db2.gz SBVATXOCPFALPZ-UHFFFAOYSA-N 1 3 318.387 2.651 20 0 DFADHO Cc1ccccc1-n1cc(CN(C)CC2CC[NH+](C)CC2)cn1 ZINC000648006557 431775581 /nfs/dbraw/zinc/77/55/81/431775581.db2.gz LGKBRZVKHUQNGB-UHFFFAOYSA-N 1 3 312.461 2.954 20 0 DFADHO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000657596774 431820791 /nfs/dbraw/zinc/82/07/91/431820791.db2.gz YRVKJPXTMHLJCT-MNEFBYGVSA-N 1 3 302.462 2.922 20 0 DFADHO Cc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657594951 431820930 /nfs/dbraw/zinc/82/09/30/431820930.db2.gz LPDHGGUQCMJXEM-KRWDZBQOSA-N 1 3 316.470 2.913 20 0 DFADHO Cc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657594951 431820933 /nfs/dbraw/zinc/82/09/33/431820933.db2.gz LPDHGGUQCMJXEM-KRWDZBQOSA-N 1 3 316.470 2.913 20 0 DFADHO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000657596772 431821031 /nfs/dbraw/zinc/82/10/31/431821031.db2.gz YRVKJPXTMHLJCT-AYOQOUSVSA-N 1 3 302.462 2.922 20 0 DFADHO Cc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657596742 431821264 /nfs/dbraw/zinc/82/12/64/431821264.db2.gz YJYMOWUHBYGWJB-FQEVSTJZSA-N 1 3 310.441 2.851 20 0 DFADHO Cc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657596742 431821268 /nfs/dbraw/zinc/82/12/68/431821268.db2.gz YJYMOWUHBYGWJB-FQEVSTJZSA-N 1 3 310.441 2.851 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)C1 ZINC000657596118 431821506 /nfs/dbraw/zinc/82/15/06/431821506.db2.gz LFEXEGPVKKRVGP-QGZVFWFLSA-N 1 3 324.415 2.921 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000657596770 431821604 /nfs/dbraw/zinc/82/16/04/431821604.db2.gz YRVKJPXTMHLJCT-ATZDWAIDSA-N 1 3 302.462 2.922 20 0 DFADHO Cc1ccc2c(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc(=O)oc2c1 ZINC000261910893 281046489 /nfs/dbraw/zinc/04/64/89/281046489.db2.gz QFLJIFQMOPOSLP-XKQJLSEDSA-N 1 3 312.413 2.661 20 0 DFADHO Cc1cccc2c1CC[C@H]2[NH2+]CCCN1CCCN(C)CC1 ZINC000128266690 281272530 /nfs/dbraw/zinc/27/25/30/281272530.db2.gz UIKPIPCDUUZFKP-LJQANCHMSA-N 1 3 301.478 2.600 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000356103467 282024214 /nfs/dbraw/zinc/02/42/14/282024214.db2.gz VEDZIPYRAAMDFB-HZPDHXFCSA-N 1 3 319.493 2.790 20 0 DFADHO CC1CCC(N2CCN(CC[NH+]3CCC(C)CC3)CC2)CC1 ZINC000153949001 289066799 /nfs/dbraw/zinc/06/67/99/289066799.db2.gz ISFZDIUOADOVLT-UHFFFAOYSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@H](C(=O)N(CCC[NH3+])CC1CCCC1)[C@@H](N)c1ccccc1 ZINC000357352113 289257543 /nfs/dbraw/zinc/25/75/43/289257543.db2.gz LILQGWQVGGAZPU-MAUKXSAKSA-N 1 3 317.477 2.690 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1ccccc1OC(F)F ZINC000234751634 292805702 /nfs/dbraw/zinc/80/57/02/292805702.db2.gz CWNJWYJGTADBBK-VXGBXAGGSA-N 1 3 302.365 2.693 20 0 DFADHO C[C@H]([NH3+])Cc1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000435727526 296971015 /nfs/dbraw/zinc/97/10/15/296971015.db2.gz YUUVOOXQAXJHEO-ZDUSSCGKSA-N 1 3 300.406 2.612 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000234803207 293097161 /nfs/dbraw/zinc/09/71/61/293097161.db2.gz BFVDGIHAESBAJN-AAEUAGOBSA-N 1 3 302.365 2.693 20 0 DFADHO COc1ccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)c(F)c1 ZINC000154348063 295297890 /nfs/dbraw/zinc/29/78/90/295297890.db2.gz SQWOUWXNUMCVDI-HNNXBMFYSA-N 1 3 323.456 2.513 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1F ZINC000154364515 295298685 /nfs/dbraw/zinc/29/86/85/295298685.db2.gz LHFNZNAPNWTEAM-OAHLLOKOSA-N 1 3 323.456 2.513 20 0 DFADHO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000154446015 295300836 /nfs/dbraw/zinc/30/08/36/295300836.db2.gz DHAHCQGPYROVAY-KXBFYZLASA-N 1 3 319.468 2.676 20 0 DFADHO CCCC[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000154544535 295302568 /nfs/dbraw/zinc/30/25/68/295302568.db2.gz SVEGUUIQGZJRGT-KRWDZBQOSA-N 1 3 303.450 2.781 20 0 DFADHO C[C@@H]1C[C@H](C)CN(CC2(C[NH+]3C[C@@H](C)C[C@H](C)C3)COC2)C1 ZINC000157330123 295347137 /nfs/dbraw/zinc/34/71/37/295347137.db2.gz PFQFHBYITXJHGN-XLAORIBOSA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CC2(CN3C[C@@H](C)C[C@H](C)C3)COC2)C1 ZINC000157330123 295347139 /nfs/dbraw/zinc/34/71/39/295347139.db2.gz PFQFHBYITXJHGN-XLAORIBOSA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CC2(CN3C[C@@H](C)C[C@H](C)C3)COC2)C1 ZINC000157330123 295347140 /nfs/dbraw/zinc/34/71/40/295347140.db2.gz PFQFHBYITXJHGN-XLAORIBOSA-N 1 3 308.510 2.959 20 0 DFADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158128972 295358840 /nfs/dbraw/zinc/35/88/40/295358840.db2.gz UNGWTGMXTXNCBG-KGLIPLIRSA-N 1 3 315.461 2.909 20 0 DFADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158128972 295358842 /nfs/dbraw/zinc/35/88/42/295358842.db2.gz UNGWTGMXTXNCBG-KGLIPLIRSA-N 1 3 315.461 2.909 20 0 DFADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000158167481 295359165 /nfs/dbraw/zinc/35/91/65/295359165.db2.gz ATFCVZGTJKZFTK-GJZGRUSLSA-N 1 3 317.433 2.636 20 0 DFADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000158167481 295359168 /nfs/dbraw/zinc/35/91/68/295359168.db2.gz ATFCVZGTJKZFTK-GJZGRUSLSA-N 1 3 317.433 2.636 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3[C@@H]4CCCC[C@@H]4C3(C)C)C2)CC1 ZINC000363749428 295440129 /nfs/dbraw/zinc/44/01/29/295440129.db2.gz KYLBOIBQJILXNE-NQYYFHDYSA-N 1 3 319.537 2.959 20 0 DFADHO CC1(C)CC([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000397591632 295487877 /nfs/dbraw/zinc/48/78/77/295487877.db2.gz MSBWPBLLPOLPOK-UHFFFAOYSA-N 1 3 302.462 2.792 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CC3(O)CCCC3)CC2)C[C@H](C)O1 ZINC000438575945 297099642 /nfs/dbraw/zinc/09/96/42/297099642.db2.gz DNNSEVIRVJKWDV-CALCHBBNSA-N 1 3 324.509 2.503 20 0 DFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439831014 297139692 /nfs/dbraw/zinc/13/96/92/297139692.db2.gz BKTRQRJBHQVFQI-NUJGCVRESA-N 1 3 321.509 2.773 20 0 DFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439831014 297139694 /nfs/dbraw/zinc/13/96/94/297139694.db2.gz BKTRQRJBHQVFQI-NUJGCVRESA-N 1 3 321.509 2.773 20 0 DFADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)cc1 ZINC000442873018 297208815 /nfs/dbraw/zinc/20/88/15/297208815.db2.gz KLLAJLSQHWOBTI-KRWDZBQOSA-N 1 3 307.457 2.892 20 0 DFADHO CCC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccn1 ZINC000442876250 297209163 /nfs/dbraw/zinc/20/91/63/297209163.db2.gz PKBPMXAHVVNBEW-INIZCTEOSA-N 1 3 304.482 2.538 20 0 DFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443058237 297214032 /nfs/dbraw/zinc/21/40/32/297214032.db2.gz MRMCBMOEUCSWDQ-WMZOPIPTSA-N 1 3 317.477 2.657 20 0 DFADHO CSc1cccc(NC(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000443063102 297214291 /nfs/dbraw/zinc/21/42/91/297214291.db2.gz VVALHKWDBHDXMJ-ZIAGYGMSSA-N 1 3 321.490 2.796 20 0 DFADHO C[C@@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443063436 297214354 /nfs/dbraw/zinc/21/43/54/297214354.db2.gz WOWROYZZXFWDGU-ZIAGYGMSSA-N 1 3 323.868 2.578 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1(C)C ZINC000443068373 297214953 /nfs/dbraw/zinc/21/49/53/297214953.db2.gz KNBBBOUUEPJPRL-HUUCEWRRSA-N 1 3 313.555 2.522 20 0 DFADHO [NH3+]CC[C@H]1CCCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000443075140 297215256 /nfs/dbraw/zinc/21/52/56/297215256.db2.gz QYPCDGYSZJWZHV-CJNGLKHVSA-N 1 3 321.852 2.506 20 0 DFADHO c1nc2c(n1[C@H]1CC[N@@H+](CCCN3CCCCC3)C1)CCCC2 ZINC000444630485 297242433 /nfs/dbraw/zinc/24/24/33/297242433.db2.gz OSAHLIHIPQLWDR-KRWDZBQOSA-N 1 3 316.493 2.885 20 0 DFADHO c1nc2c(n1[C@H]1CC[N@H+](CCCN3CCCCC3)C1)CCCC2 ZINC000444630485 297242434 /nfs/dbraw/zinc/24/24/34/297242434.db2.gz OSAHLIHIPQLWDR-KRWDZBQOSA-N 1 3 316.493 2.885 20 0 DFADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CCCC2)c2ccccc21 ZINC000447529897 297306828 /nfs/dbraw/zinc/30/68/28/297306828.db2.gz LKONAVSPYANCIM-SNRMKQJTSA-N 1 3 302.462 2.917 20 0 DFADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCCC2)c2ccccc21 ZINC000447529899 297306862 /nfs/dbraw/zinc/30/68/62/297306862.db2.gz LKONAVSPYANCIM-ZYSHUDEJSA-N 1 3 302.462 2.917 20 0 DFADHO C[NH+](C)CCOCCN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000447599284 297310305 /nfs/dbraw/zinc/31/03/05/297310305.db2.gz JVIYJBCJQWVIIN-OAHLLOKOSA-N 1 3 312.841 2.722 20 0 DFADHO COc1cc(CN2CCC(OCC[NH+](C)C)CC2)ccc1C ZINC000447734617 297314665 /nfs/dbraw/zinc/31/46/65/297314665.db2.gz XPSNWCLVPXBNDT-UHFFFAOYSA-N 1 3 306.450 2.546 20 0 DFADHO CC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N(CC)CC ZINC000448521102 297340759 /nfs/dbraw/zinc/34/07/59/297340759.db2.gz PVKWFECYARSMGL-KBAYOESNSA-N 1 3 321.509 2.582 20 0 DFADHO CC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N(CC)CC ZINC000448521102 297340761 /nfs/dbraw/zinc/34/07/61/297340761.db2.gz PVKWFECYARSMGL-KBAYOESNSA-N 1 3 321.509 2.582 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(C)cc2OC)C1 ZINC000449038992 297396036 /nfs/dbraw/zinc/39/60/36/297396036.db2.gz YGZXUMCJSOMMJX-GOSISDBHSA-N 1 3 320.477 2.936 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@@H](C2CC2)C2CCC2)ccn1 ZINC000453185567 298069642 /nfs/dbraw/zinc/06/96/42/298069642.db2.gz VNIBPHRUJVMXHC-GOSISDBHSA-N 1 3 303.450 2.690 20 0 DFADHO CN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453216188 298071784 /nfs/dbraw/zinc/07/17/84/298071784.db2.gz GJCNVFKABDSKBU-GUDVDZBRSA-N 1 3 301.478 2.581 20 0 DFADHO CN(C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453216188 298071786 /nfs/dbraw/zinc/07/17/86/298071786.db2.gz GJCNVFKABDSKBU-GUDVDZBRSA-N 1 3 301.478 2.581 20 0 DFADHO CN(C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453216188 298071789 /nfs/dbraw/zinc/07/17/89/298071789.db2.gz GJCNVFKABDSKBU-GUDVDZBRSA-N 1 3 301.478 2.581 20 0 DFADHO C[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000357040785 298153113 /nfs/dbraw/zinc/15/31/13/298153113.db2.gz OVNAZHATKHMDJL-MDMSPXHWSA-N 1 3 323.525 2.732 20 0 DFADHO C[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000357040785 298153118 /nfs/dbraw/zinc/15/31/18/298153118.db2.gz OVNAZHATKHMDJL-MDMSPXHWSA-N 1 3 323.525 2.732 20 0 DFADHO CN(C)[C@H]1CCC[N@H+](CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000496140263 300021031 /nfs/dbraw/zinc/02/10/31/300021031.db2.gz HTOMSUAXWOOMLY-HNNXBMFYSA-N 1 3 313.486 2.660 20 0 DFADHO CN(C)[C@H]1CCC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000496140263 300021033 /nfs/dbraw/zinc/02/10/33/300021033.db2.gz HTOMSUAXWOOMLY-HNNXBMFYSA-N 1 3 313.486 2.660 20 0 DFADHO CC(C)(C[NH2+]CCCNC(=O)OC(C)(C)C)CN1CCCC1 ZINC000496699293 300100649 /nfs/dbraw/zinc/10/06/49/300100649.db2.gz IBUZTIBDXPLRTI-UHFFFAOYSA-N 1 3 313.486 2.613 20 0 DFADHO COC(=O)N1CCC([C@H](C)N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000496745283 300107690 /nfs/dbraw/zinc/10/76/90/300107690.db2.gz KXJQNIFJBXKZMN-VUCTXSBTSA-N 1 3 317.433 2.588 20 0 DFADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cccc(N2CCOC2=O)c1 ZINC000496972114 300140453 /nfs/dbraw/zinc/14/04/53/300140453.db2.gz BFSXHUBLADMNDM-QRTARXTBSA-N 1 3 317.433 2.811 20 0 DFADHO COCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000514092361 300259449 /nfs/dbraw/zinc/25/94/49/300259449.db2.gz FAVHWXNCUDXGAS-GBESFXJTSA-N 1 3 302.462 2.913 20 0 DFADHO COCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000514092361 300259452 /nfs/dbraw/zinc/25/94/52/300259452.db2.gz FAVHWXNCUDXGAS-GBESFXJTSA-N 1 3 302.462 2.913 20 0 DFADHO COCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000514092361 300259454 /nfs/dbraw/zinc/25/94/54/300259454.db2.gz FAVHWXNCUDXGAS-GBESFXJTSA-N 1 3 302.462 2.913 20 0 DFADHO C[C@@H](CC[NH2+]C[C@@H](O)Cc1ccc(F)cc1)N1CCCCC1 ZINC000515054992 300287316 /nfs/dbraw/zinc/28/73/16/300287316.db2.gz DXCRPDNQMRMWTQ-YJBOKZPZSA-N 1 3 308.441 2.583 20 0 DFADHO C[C@H]1CCC[N@H+](CCNCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000515964749 300325308 /nfs/dbraw/zinc/32/53/08/300325308.db2.gz OVNOSXCYLOOWSC-AWEZNQCLSA-N 1 3 323.868 2.990 20 0 DFADHO C[C@H]1CCC[N@@H+](CCNCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000515964749 300325312 /nfs/dbraw/zinc/32/53/12/300325312.db2.gz OVNOSXCYLOOWSC-AWEZNQCLSA-N 1 3 323.868 2.990 20 0 DFADHO Cc1cc(C[NH2+]CCc2ccc(OCCN(C)C)cc2)ccn1 ZINC000527655295 300667575 /nfs/dbraw/zinc/66/75/75/300667575.db2.gz AJVMAOPUXSHCCM-UHFFFAOYSA-N 1 3 313.445 2.663 20 0 DFADHO C(c1nc(C2CCCC2)no1)C1CC[NH+](C2CCNCC2)CC1 ZINC000530206771 301028796 /nfs/dbraw/zinc/02/87/96/301028796.db2.gz BLNYMTMDYIKSDA-UHFFFAOYSA-N 1 3 318.465 2.734 20 0 DFADHO C[C@@H]1[C@@H](N[C@@H]2CC[NH2+]C23CCC3)CCCN1Cc1ccccc1 ZINC000530216016 301029668 /nfs/dbraw/zinc/02/96/68/301029668.db2.gz LSFJFBSFSYNOBF-NZSAHSFTSA-N 1 3 313.489 2.914 20 0 DFADHO CC(C)C[N@H+](CCc1ccc(F)cc1)C[C@@H]1CCC2(CNC2)O1 ZINC000530238336 301033341 /nfs/dbraw/zinc/03/33/41/301033341.db2.gz PFICOAJVJJNHAY-SFHVURJKSA-N 1 3 320.452 2.847 20 0 DFADHO CC(C)C[N@@H+](CCc1ccc(F)cc1)C[C@@H]1CCC2(CNC2)O1 ZINC000530238336 301033343 /nfs/dbraw/zinc/03/33/43/301033343.db2.gz PFICOAJVJJNHAY-SFHVURJKSA-N 1 3 320.452 2.847 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCc2cncn2C)CC1 ZINC000530513254 301052961 /nfs/dbraw/zinc/05/29/61/301052961.db2.gz XNWBXZBJWVWOLJ-CRAIPNDOSA-N 1 3 304.482 2.595 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc3[nH]cnc3c2)C[C@H](C)O1 ZINC000530722860 301065194 /nfs/dbraw/zinc/06/51/94/301065194.db2.gz DAPMPMAEHLFJSY-GJZGRUSLSA-N 1 3 316.449 2.542 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc3nc[nH]c3c2)C[C@H](C)O1 ZINC000530722860 301065197 /nfs/dbraw/zinc/06/51/97/301065197.db2.gz DAPMPMAEHLFJSY-GJZGRUSLSA-N 1 3 316.449 2.542 20 0 DFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000531685686 301104191 /nfs/dbraw/zinc/10/41/91/301104191.db2.gz NADSFYCXQYPWHS-CQSZACIVSA-N 1 3 311.420 2.643 20 0 DFADHO Cc1cn2c(n1)[C@H](C[NH2+]C1CCN(CC3CC3)CC1)CCC2 ZINC000531988331 301123963 /nfs/dbraw/zinc/12/39/63/301123963.db2.gz GMPHVPIHASJETE-INIZCTEOSA-N 1 3 302.466 2.533 20 0 DFADHO Cc1cn2c(n1)[C@H](CNC1CC[NH+](CC3CC3)CC1)CCC2 ZINC000531988331 301123965 /nfs/dbraw/zinc/12/39/65/301123965.db2.gz GMPHVPIHASJETE-INIZCTEOSA-N 1 3 302.466 2.533 20 0 DFADHO COc1cc2c(cc1CN1CCC(C[NH+](C)C)CC1)O[C@@H](C)C2 ZINC000534332008 301228827 /nfs/dbraw/zinc/22/88/27/301228827.db2.gz ZNKZPDJLAWUMIE-AWEZNQCLSA-N 1 3 318.461 2.792 20 0 DFADHO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000562772519 302000639 /nfs/dbraw/zinc/00/06/39/302000639.db2.gz FCDOGUNSEZZFNP-UHFFFAOYSA-N 1 3 316.449 2.532 20 0 DFADHO COc1cc2c(cc1CNCCCC[N@H+](C)C1CC1)O[C@H](C)C2 ZINC000562803604 302004032 /nfs/dbraw/zinc/00/40/32/302004032.db2.gz PTDNKPGRJUITBM-CQSZACIVSA-N 1 3 318.461 2.983 20 0 DFADHO COc1cc2c(cc1CNCCCC[N@@H+](C)C1CC1)O[C@H](C)C2 ZINC000562803604 302004034 /nfs/dbraw/zinc/00/40/34/302004034.db2.gz PTDNKPGRJUITBM-CQSZACIVSA-N 1 3 318.461 2.983 20 0 DFADHO C[C@H](NCCc1nc(C(F)(F)F)cs1)[C@@H]1CCC[NH2+]C1 ZINC000562958960 302017992 /nfs/dbraw/zinc/01/79/92/302017992.db2.gz GDISFHLASRJWQC-VHSXEESVSA-N 1 3 307.385 2.682 20 0 DFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H](C)NC)c1 ZINC000563410848 302069032 /nfs/dbraw/zinc/06/90/32/302069032.db2.gz OXDLAOBOSNGUCN-HNNXBMFYSA-N 1 3 305.466 2.533 20 0 DFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H](C)NC)c1 ZINC000563410848 302069035 /nfs/dbraw/zinc/06/90/35/302069035.db2.gz OXDLAOBOSNGUCN-HNNXBMFYSA-N 1 3 305.466 2.533 20 0 DFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)NC)c1 ZINC000563410849 302069214 /nfs/dbraw/zinc/06/92/14/302069214.db2.gz OXDLAOBOSNGUCN-OAHLLOKOSA-N 1 3 305.466 2.533 20 0 DFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)NC)c1 ZINC000563410849 302069217 /nfs/dbraw/zinc/06/92/17/302069217.db2.gz OXDLAOBOSNGUCN-OAHLLOKOSA-N 1 3 305.466 2.533 20 0 DFADHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000563415175 302069707 /nfs/dbraw/zinc/06/97/07/302069707.db2.gz NKQRMZDWYANYCY-BEVDRBHNSA-N 1 3 314.473 2.922 20 0 DFADHO FC(F)(F)COc1ccc(CNCCC[NH+]2CCC2)cc1 ZINC000564099582 302119224 /nfs/dbraw/zinc/11/92/24/302119224.db2.gz MEOZOSAHMSGGQO-UHFFFAOYSA-N 1 3 302.340 2.813 20 0 DFADHO c1c(CN[C@H]2CCCC23CCOCC3)onc1C1CC[NH2+]CC1 ZINC000564320490 302128449 /nfs/dbraw/zinc/12/84/49/302128449.db2.gz PNAQSRHPSKURMZ-KRWDZBQOSA-N 1 3 319.449 2.581 20 0 DFADHO C[C@@H](NCCN1CCc2c(Cl)cccc2C1)[C@H]1CCC[NH2+]C1 ZINC000564826091 302161583 /nfs/dbraw/zinc/16/15/83/302161583.db2.gz AZNIDCAQGFTLLG-CABCVRRESA-N 1 3 321.896 2.676 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000565226737 302210403 /nfs/dbraw/zinc/21/04/03/302210403.db2.gz MQXYWBDYDMGAJO-LSDHHAIUSA-N 1 3 316.474 2.997 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCCc2nc(-c3ccncc3)cs2)C1 ZINC000565226737 302210405 /nfs/dbraw/zinc/21/04/05/302210405.db2.gz MQXYWBDYDMGAJO-LSDHHAIUSA-N 1 3 316.474 2.997 20 0 DFADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@H](O)CC(F)(F)F ZINC000565357862 302220657 /nfs/dbraw/zinc/22/06/57/302220657.db2.gz BCAFQESWCXCUIN-OAHLLOKOSA-N 1 3 318.383 2.930 20 0 DFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H](O)CC(F)(F)F ZINC000565357862 302220658 /nfs/dbraw/zinc/22/06/58/302220658.db2.gz BCAFQESWCXCUIN-OAHLLOKOSA-N 1 3 318.383 2.930 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000565652544 302235013 /nfs/dbraw/zinc/23/50/13/302235013.db2.gz XAWWXKDXXRCADO-BBWFWOEESA-N 1 3 310.869 2.706 20 0 DFADHO C[C@H](NC[C@@H](c1ccc(Cl)cc1)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000566089477 302258444 /nfs/dbraw/zinc/25/84/44/302258444.db2.gz BBSLXHBMROAYCR-LXZKKBNFSA-N 1 3 309.885 2.920 20 0 DFADHO C[C@H](NCc1cc(N(C)C)nc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000566089588 302258538 /nfs/dbraw/zinc/25/85/38/302258538.db2.gz UQWYNCAZRQXCOY-LSDHHAIUSA-N 1 3 312.461 2.779 20 0 DFADHO CC(C)N1CCCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000566200880 302267396 /nfs/dbraw/zinc/26/73/96/302267396.db2.gz IMOFJFXGLDBUGZ-RHSMWYFYSA-N 1 3 303.450 2.585 20 0 DFADHO CC(C)c1nc2n(n1)C[C@H](N[C@H](C)C[C@@H]1CCCCC[NH2+]1)CC2 ZINC000567260341 302345625 /nfs/dbraw/zinc/34/56/25/302345625.db2.gz LLMVCTBTEBPYON-OWCLPIDISA-N 1 3 319.497 2.617 20 0 DFADHO CC(C)OCC[C@@H](O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000567684420 302379539 /nfs/dbraw/zinc/37/95/39/302379539.db2.gz ITOKNDWAXKEKGL-GOSISDBHSA-N 1 3 312.498 2.549 20 0 DFADHO CC(C)OCC[C@@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000567684420 302379540 /nfs/dbraw/zinc/37/95/40/302379540.db2.gz ITOKNDWAXKEKGL-GOSISDBHSA-N 1 3 312.498 2.549 20 0 DFADHO C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC000567857899 302393720 /nfs/dbraw/zinc/39/37/20/302393720.db2.gz PLYMDEHWKHAHQP-RXABAKJHSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000567857899 302393723 /nfs/dbraw/zinc/39/37/23/302393723.db2.gz PLYMDEHWKHAHQP-RXABAKJHSA-N 1 3 300.446 2.949 20 0 DFADHO [NH3+]C[C@H]1CC[C@H](CN[C@@H](c2ccccc2)c2ccncn2)CC1 ZINC000571313388 302613118 /nfs/dbraw/zinc/61/31/18/302613118.db2.gz WZSWKRHZAZFTQE-BXWFABGCSA-N 1 3 310.445 2.921 20 0 DFADHO [NH3+]C1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCCCC1 ZINC000237920881 303355633 /nfs/dbraw/zinc/35/56/33/303355633.db2.gz LCQURGRSKMXJKU-QGZVFWFLSA-N 1 3 315.461 2.601 20 0 DFADHO CC(C)[NH2+]CCC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000167618839 315892030 /nfs/dbraw/zinc/89/20/30/315892030.db2.gz ILLICDSRTSQVMW-HNNXBMFYSA-N 1 3 305.466 2.620 20 0 DFADHO CC(C)CSCCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180960564 316046942 /nfs/dbraw/zinc/04/69/42/316046942.db2.gz AVKHWSSFNYWSOP-UHFFFAOYSA-N 1 3 315.571 2.724 20 0 DFADHO CC(C)CSCCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180960564 316046946 /nfs/dbraw/zinc/04/69/46/316046946.db2.gz AVKHWSSFNYWSOP-UHFFFAOYSA-N 1 3 315.571 2.724 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)CCc1ccccc1 ZINC000182415355 316101261 /nfs/dbraw/zinc/10/12/61/316101261.db2.gz MXAVQSKWJKYEJR-RBUKOAKNSA-N 1 3 304.478 2.786 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)CCc1ccccc1 ZINC000182415355 316101263 /nfs/dbraw/zinc/10/12/63/316101263.db2.gz MXAVQSKWJKYEJR-RBUKOAKNSA-N 1 3 304.478 2.786 20 0 DFADHO Cc1cc(C)c([C@@H](C)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000319119803 316250335 /nfs/dbraw/zinc/25/03/35/316250335.db2.gz UOAABROFKIGCDL-QZTJIDSGSA-N 1 3 301.478 2.652 20 0 DFADHO [NH3+][C@@H](CCC(=O)N1CC[C@@H](N2CCCCC2)C1)c1ccccc1 ZINC000321394262 316256492 /nfs/dbraw/zinc/25/64/92/316256492.db2.gz OZNVQGFJCWYIST-MSOLQXFVSA-N 1 3 315.461 2.553 20 0 DFADHO CC[N@@H+]1CC[C@H](NCc2ccc(NCCOC)cc2)[C@@H](C)C1 ZINC000347308769 316319766 /nfs/dbraw/zinc/31/97/66/316319766.db2.gz JRVZFCZSEWIVFF-YJBOKZPZSA-N 1 3 305.466 2.565 20 0 DFADHO CC[N@H+]1CC[C@H](NCc2ccc(NCCOC)cc2)[C@@H](C)C1 ZINC000347308769 316319769 /nfs/dbraw/zinc/31/97/69/316319769.db2.gz JRVZFCZSEWIVFF-YJBOKZPZSA-N 1 3 305.466 2.565 20 0 DFADHO COC[C@@](C)(CCO)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000411334073 316590560 /nfs/dbraw/zinc/59/05/60/316590560.db2.gz OTTLCVIBBICHER-LJQANCHMSA-N 1 3 320.477 2.550 20 0 DFADHO COc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1OC(F)F ZINC000414792347 316659133 /nfs/dbraw/zinc/65/91/33/316659133.db2.gz CDLFNHXXYJXLEO-CHWSQXEVSA-N 1 3 314.376 2.904 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(OCC(F)(F)F)c1 ZINC000414794831 316660790 /nfs/dbraw/zinc/66/07/90/316660790.db2.gz MGIREYYDDMCENS-JSGCOSHPSA-N 1 3 302.340 2.845 20 0 DFADHO Cc1nn(C)c2ncc(CNCc3ccc([C@H](C)[NH3+])cc3)cc12 ZINC000414802866 316663114 /nfs/dbraw/zinc/66/31/14/316663114.db2.gz BXUCHDWLPPPFAE-LBPRGKRZSA-N 1 3 309.417 2.586 20 0 DFADHO COc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc(Cl)c1OC ZINC000414811801 316665210 /nfs/dbraw/zinc/66/52/10/316665210.db2.gz WOPTVYZGLFPXFK-OCCSQVGLSA-N 1 3 312.841 2.964 20 0 DFADHO CC(C)N1CCCC[C@H]1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000450500326 317099850 /nfs/dbraw/zinc/09/98/50/317099850.db2.gz MWTYQTHWCUUAAJ-FUHWJXTLSA-N 1 3 303.450 2.798 20 0 DFADHO CC(C)N1CCCC[C@H]1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000450500326 317099851 /nfs/dbraw/zinc/09/98/51/317099851.db2.gz MWTYQTHWCUUAAJ-FUHWJXTLSA-N 1 3 303.450 2.798 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCCC[C@H]1C ZINC000459364745 317322135 /nfs/dbraw/zinc/32/21/35/317322135.db2.gz AIBYFJUGZMFOKC-SJORKVTESA-N 1 3 316.493 2.903 20 0 DFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H]3C[C@@H]3C)cc2)CC1 ZINC000488412033 317390935 /nfs/dbraw/zinc/39/09/35/317390935.db2.gz KXXGCFKPCFYZJT-QFBILLFUSA-N 1 3 301.478 2.570 20 0 DFADHO C[C@@H]1C[C@H]1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000488421644 317391726 /nfs/dbraw/zinc/39/17/26/317391726.db2.gz SYSKTQDDQGVIJM-MSOLQXFVSA-N 1 3 301.478 2.834 20 0 DFADHO CC1CC[NH+](C[C@H](O)CN[C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488433107 317392647 /nfs/dbraw/zinc/39/26/47/317392647.db2.gz MXEJCJDZULOEIW-BZUAXINKSA-N 1 3 314.539 2.589 20 0 DFADHO CC(C)C1CC([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000488446678 317394089 /nfs/dbraw/zinc/39/40/89/317394089.db2.gz URMHEFKSEIXBND-UHFFFAOYSA-N 1 3 317.477 2.502 20 0 DFADHO c1cc2c(cccc2N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)[nH]1 ZINC000530230644 317777556 /nfs/dbraw/zinc/77/75/56/317777556.db2.gz BWGMQCPWBIOXQW-INIZCTEOSA-N 1 3 312.461 2.680 20 0 DFADHO CC[NH+]1CCC(CN[C@H](c2cnn(C)c2)c2ccccc2)CC1 ZINC000565519251 317923205 /nfs/dbraw/zinc/92/32/05/317923205.db2.gz PDLWMOBHZRFCSR-IBGZPJMESA-N 1 3 312.461 2.831 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)Cc2ccccc2)C1 ZINC000574512343 318022813 /nfs/dbraw/zinc/02/28/13/318022813.db2.gz LMADPDSPJXGEFZ-RTBURBONSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)Cc2ccccc2)C1 ZINC000574512343 318022814 /nfs/dbraw/zinc/02/28/14/318022814.db2.gz LMADPDSPJXGEFZ-RTBURBONSA-N 1 3 304.478 2.548 20 0 DFADHO C[C@H](CCNC(=O)Nc1ccc2c(c1)CNC2)[NH+]1CCCCC1 ZINC000575775149 318082887 /nfs/dbraw/zinc/08/28/87/318082887.db2.gz AOWWCJSXJUVSDY-CQSZACIVSA-N 1 3 316.449 2.676 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000576000489 318097631 /nfs/dbraw/zinc/09/76/31/318097631.db2.gz BOHJRBXPLUTMFB-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000576000489 318097632 /nfs/dbraw/zinc/09/76/32/318097632.db2.gz BOHJRBXPLUTMFB-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO COc1cncc(/C=C\CCN2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000577949962 318227891 /nfs/dbraw/zinc/22/78/91/318227891.db2.gz MMDLQOAOYOFDSY-DANOYGIBSA-N 1 3 303.450 2.910 20 0 DFADHO COc1cncc(/C=C\CC[N@@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000577949962 318227892 /nfs/dbraw/zinc/22/78/92/318227892.db2.gz MMDLQOAOYOFDSY-DANOYGIBSA-N 1 3 303.450 2.910 20 0 DFADHO COc1cncc(/C=C\CC[N@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000577949962 318227894 /nfs/dbraw/zinc/22/78/94/318227894.db2.gz MMDLQOAOYOFDSY-DANOYGIBSA-N 1 3 303.450 2.910 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000577961385 318229375 /nfs/dbraw/zinc/22/93/75/318229375.db2.gz QQLVARKVAVVQAZ-ZWKOTPCHSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1NCCCC1(C)C)c1cccc(-n2ccnn2)c1 ZINC000578005459 318231622 /nfs/dbraw/zinc/23/16/22/318231622.db2.gz NIFQRQLPUKHKGI-YOEHRIQHSA-N 1 3 313.449 2.696 20 0 DFADHO Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000578759196 318283555 /nfs/dbraw/zinc/28/35/55/318283555.db2.gz XDJQCEZWLVHSNN-QGZVFWFLSA-N 1 3 320.477 2.587 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000579258653 318319267 /nfs/dbraw/zinc/31/92/67/318319267.db2.gz VFVGKIRFKWFAGQ-KKUMJFAQSA-N 1 3 323.868 2.787 20 0 DFADHO CC[NH+](CC)CCOC1CCN(CCc2cccc(C)n2)CC1 ZINC000579704513 318348844 /nfs/dbraw/zinc/34/88/44/318348844.db2.gz DCFFTTAKHKPOAD-UHFFFAOYSA-N 1 3 319.493 2.755 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)CCN(C)C)c1ccc(F)cc1 ZINC000580128420 318377017 /nfs/dbraw/zinc/37/70/17/318377017.db2.gz GPTXRUKAODRTOH-INIZCTEOSA-N 1 3 309.473 2.745 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)CCN(C)C)c1ccc(F)cc1 ZINC000580128420 318377019 /nfs/dbraw/zinc/37/70/19/318377019.db2.gz GPTXRUKAODRTOH-INIZCTEOSA-N 1 3 309.473 2.745 20 0 DFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000387678989 323327373 /nfs/dbraw/zinc/32/73/73/323327373.db2.gz RTHCJJZURKMOPG-KFWWJZLASA-N 1 3 313.486 2.704 20 0 DFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000387678989 323327375 /nfs/dbraw/zinc/32/73/75/323327375.db2.gz RTHCJJZURKMOPG-KFWWJZLASA-N 1 3 313.486 2.704 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000581245739 323495687 /nfs/dbraw/zinc/49/56/87/323495687.db2.gz UWZLZLHNDNQWDZ-HPFXQQBRSA-N 1 3 320.481 2.541 20 0 DFADHO COc1cc2c(cc1CNCCC[C@@H]1CCC[NH2+]1)O[C@@H](C)C2 ZINC000582713717 323723050 /nfs/dbraw/zinc/72/30/50/323723050.db2.gz NYEXPORBVRTDBJ-XJKSGUPXSA-N 1 3 304.434 2.640 20 0 DFADHO Cc1nc2ccccc2n1CCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000584285596 332212805 /nfs/dbraw/zinc/21/28/05/332212805.db2.gz RNGKXCQRHCWTRG-GDBMZVCRSA-N 1 3 300.450 2.713 20 0 DFADHO Cn1ncc2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc21 ZINC000584404630 337319907 /nfs/dbraw/zinc/31/99/07/337319907.db2.gz CUJFYMQPOZTUOC-RCCFBDPRSA-N 1 3 312.461 2.974 20 0 DFADHO CCC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000584670678 337381333 /nfs/dbraw/zinc/38/13/33/337381333.db2.gz LIYMHYHFTBBYOX-KZNAEPCWSA-N 1 3 315.461 2.998 20 0 DFADHO Cc1ccccc1-n1cc(CN2CCC(C[NH+](C)C)CC2)cn1 ZINC000648002081 500986895 /nfs/dbraw/zinc/98/68/95/500986895.db2.gz ZXJHEGDLXZCODZ-UHFFFAOYSA-N 1 3 312.461 2.954 20 0 DFADHO C(C[NH2+]C1CCN(C2CCCCC2)CC1)COC[C@@H]1CCOC1 ZINC000158078682 518390413 /nfs/dbraw/zinc/39/04/13/518390413.db2.gz NWVYOPQZGRCPDK-KRWDZBQOSA-N 1 3 324.509 2.816 20 0 DFADHO C(CNC1CC[NH+](C2CCCCC2)CC1)COC[C@@H]1CCOC1 ZINC000158078682 518390421 /nfs/dbraw/zinc/39/04/21/518390421.db2.gz NWVYOPQZGRCPDK-KRWDZBQOSA-N 1 3 324.509 2.816 20 0 DFADHO CCN(C(=O)CCC[NH2+]C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000368453898 519904179 /nfs/dbraw/zinc/90/41/79/519904179.db2.gz NCBYYDWSATZBEX-FUHWJXTLSA-N 1 3 317.477 2.670 20 0 DFADHO c1nc2ccccc2n1CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000321472023 534536060 /nfs/dbraw/zinc/53/60/60/534536060.db2.gz WDHHLMLYEDJDKN-GVDBMIGSSA-N 1 3 312.461 2.937 20 0 DFADHO CN(C)[C@H](CNC(=O)C[N@H+](C)CC1CCCC1)c1ccccc1 ZINC000158050942 522071932 /nfs/dbraw/zinc/07/19/32/522071932.db2.gz JXJBGGRNQPQZEU-GOSISDBHSA-N 1 3 317.477 2.528 20 0 DFADHO CN(C)[C@H](CNC(=O)C[N@@H+](C)CC1CCCC1)c1ccccc1 ZINC000158050942 522071941 /nfs/dbraw/zinc/07/19/41/522071941.db2.gz JXJBGGRNQPQZEU-GOSISDBHSA-N 1 3 317.477 2.528 20 0 DFADHO CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000163910867 522325408 /nfs/dbraw/zinc/32/54/08/522325408.db2.gz BXTLMLQNYSAWSD-VKJFTORMSA-N 1 3 308.466 2.685 20 0 DFADHO COC1(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCOCC1 ZINC000368438000 522601722 /nfs/dbraw/zinc/60/17/22/522601722.db2.gz ISKWQRGHEOGZTO-SFHVURJKSA-N 1 3 324.509 2.626 20 0 DFADHO COC1(C[N@@H+]2CCC[C@@H](CN3CCC(C)CC3)C2)CCOCC1 ZINC000368438000 522601729 /nfs/dbraw/zinc/60/17/29/522601729.db2.gz ISKWQRGHEOGZTO-SFHVURJKSA-N 1 3 324.509 2.626 20 0 DFADHO COC1(C[N@H+]2CCC[C@@H](CN3CCC(C)CC3)C2)CCOCC1 ZINC000368438000 522601737 /nfs/dbraw/zinc/60/17/37/522601737.db2.gz ISKWQRGHEOGZTO-SFHVURJKSA-N 1 3 324.509 2.626 20 0 DFADHO CC(C)OCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310017775 527964686 /nfs/dbraw/zinc/96/46/86/527964686.db2.gz PFBYBKTZSYKSQF-MOPGFXCFSA-N 1 3 302.462 2.865 20 0 DFADHO CC(C)OCCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310017775 527964693 /nfs/dbraw/zinc/96/46/93/527964693.db2.gz PFBYBKTZSYKSQF-MOPGFXCFSA-N 1 3 302.462 2.865 20 0 DFADHO CC1CC[NH+](CCCNC(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000319001055 528240022 /nfs/dbraw/zinc/24/00/22/528240022.db2.gz MWFPCLFELUTWOQ-KRWDZBQOSA-N 1 3 309.498 2.522 20 0 DFADHO CCCCN(C)C[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297459972 528353462 /nfs/dbraw/zinc/35/34/62/528353462.db2.gz QAUDNNXNULIKNL-MRXNPFEDSA-N 1 3 304.482 2.760 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000319630233 528460285 /nfs/dbraw/zinc/46/02/85/528460285.db2.gz MEWZAVYZYKXDHB-QGZVFWFLSA-N 1 3 309.498 2.665 20 0 DFADHO CC(C)[C@@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000293067132 528625218 /nfs/dbraw/zinc/62/52/18/528625218.db2.gz ZJAMPAKLHXHXSK-SFHVURJKSA-N 1 3 305.466 2.637 20 0 DFADHO CC(C)[C@@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000293067132 528625222 /nfs/dbraw/zinc/62/52/22/528625222.db2.gz ZJAMPAKLHXHXSK-SFHVURJKSA-N 1 3 305.466 2.637 20 0 DFADHO CCCC[C@H](COC)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000305765280 528966672 /nfs/dbraw/zinc/96/66/72/528966672.db2.gz DBYWXPDKMYWNPB-KZNAEPCWSA-N 1 3 312.498 2.549 20 0 DFADHO CCCN(C)CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000358554761 535250825 /nfs/dbraw/zinc/25/08/25/535250825.db2.gz KDSOGAPAEXNEHD-UHFFFAOYSA-N 1 3 317.477 2.631 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358103369 535361749 /nfs/dbraw/zinc/36/17/49/535361749.db2.gz KJWOVWUXCKOLKC-XYJFISCASA-N 1 3 321.509 2.630 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358103369 535361753 /nfs/dbraw/zinc/36/17/53/535361753.db2.gz KJWOVWUXCKOLKC-XYJFISCASA-N 1 3 321.509 2.630 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)CC1CCN(C)CC1)CC(C)C ZINC000362764083 535652061 /nfs/dbraw/zinc/65/20/61/535652061.db2.gz YXBLXVWDFMRTCD-QGZVFWFLSA-N 1 3 311.514 2.591 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000261898722 535653062 /nfs/dbraw/zinc/65/30/62/535653062.db2.gz OQHVQAKPBXOURO-MSOLQXFVSA-N 1 3 317.477 2.718 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000261752568 535677095 /nfs/dbraw/zinc/67/70/95/535677095.db2.gz PCWRJMWYWHFBIG-RYQLBKOJSA-N 1 3 317.477 2.574 20 0 DFADHO COc1ccc(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000261959516 536841158 /nfs/dbraw/zinc/84/11/58/536841158.db2.gz XKRDLBKRHSHSIS-DLBZAZTESA-N 1 3 312.413 2.981 20 0 DFADHO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCCN(C)C)C1 ZINC000684373434 546203400 /nfs/dbraw/zinc/20/34/00/546203400.db2.gz ZNCKTMSEZOIAAP-SJORKVTESA-N 1 3 306.450 2.674 20 0 DFADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)C[C@H](C)O1 ZINC000684931831 546304668 /nfs/dbraw/zinc/30/46/68/546304668.db2.gz YBRAZXACTXAWAM-ALXJQNPVSA-N 1 3 320.477 2.920 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3cccnc32)C[C@@H](C)O1 ZINC000684955323 546307600 /nfs/dbraw/zinc/30/76/00/546307600.db2.gz LCEOIKFROMBFFK-NUJGCVRESA-N 1 3 317.477 2.938 20 0 DFADHO Cc1ccsc1CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457801 546353488 /nfs/dbraw/zinc/35/34/88/546353488.db2.gz OCVLBBJQMKNAQR-INIZCTEOSA-N 1 3 307.507 2.657 20 0 DFADHO Cc1ccsc1CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457801 546353490 /nfs/dbraw/zinc/35/34/90/546353490.db2.gz OCVLBBJQMKNAQR-INIZCTEOSA-N 1 3 307.507 2.657 20 0 DFADHO Cc1ccsc1CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457802 546353869 /nfs/dbraw/zinc/35/38/69/546353869.db2.gz OCVLBBJQMKNAQR-MRXNPFEDSA-N 1 3 307.507 2.657 20 0 DFADHO Cc1ccsc1CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457802 546353872 /nfs/dbraw/zinc/35/38/72/546353872.db2.gz OCVLBBJQMKNAQR-MRXNPFEDSA-N 1 3 307.507 2.657 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)Cc1ccc2cnccc2c1 ZINC000685475796 546359054 /nfs/dbraw/zinc/35/90/54/546359054.db2.gz FGBRIVAUDTVIOX-UHFFFAOYSA-N 1 3 314.477 2.550 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000685475796 546359058 /nfs/dbraw/zinc/35/90/58/546359058.db2.gz FGBRIVAUDTVIOX-UHFFFAOYSA-N 1 3 314.477 2.550 20 0 DFADHO Cc1cccc2c1OC[C@H](N[C@@H]1CC[N@@H+](C)[C@H]3CCC[C@@H]31)C2 ZINC000685665601 546383464 /nfs/dbraw/zinc/38/34/64/546383464.db2.gz KPVKLLOGBQBCRI-TVFCKZIOSA-N 1 3 300.446 2.761 20 0 DFADHO Cc1cccc2c1OC[C@H](N[C@@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)C2 ZINC000685665601 546383465 /nfs/dbraw/zinc/38/34/65/546383465.db2.gz KPVKLLOGBQBCRI-TVFCKZIOSA-N 1 3 300.446 2.761 20 0 DFADHO CC(C)(C)c1ccc(CCNC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000685840485 546397122 /nfs/dbraw/zinc/39/71/22/546397122.db2.gz WWOOIIBRYLIZGU-IBGZPJMESA-N 1 3 318.505 2.963 20 0 DFADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc([S@](C)=O)cc1 ZINC000272876896 210266257 /nfs/dbraw/zinc/26/62/57/210266257.db2.gz BRXWGNXDWLUJKA-HTZUNMPGSA-N 1 3 308.491 2.949 20 0 DFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278435643 214151359 /nfs/dbraw/zinc/15/13/59/214151359.db2.gz HDUXAQDXUXJLMV-JKSUJKDBSA-N 1 3 318.461 2.773 20 0 DFADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278435643 214151362 /nfs/dbraw/zinc/15/13/62/214151362.db2.gz HDUXAQDXUXJLMV-JKSUJKDBSA-N 1 3 318.461 2.773 20 0 DFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278435641 214151766 /nfs/dbraw/zinc/15/17/66/214151766.db2.gz HDUXAQDXUXJLMV-HZPDHXFCSA-N 1 3 318.461 2.773 20 0 DFADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278435641 214151769 /nfs/dbraw/zinc/15/17/69/214151769.db2.gz HDUXAQDXUXJLMV-HZPDHXFCSA-N 1 3 318.461 2.773 20 0 DFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]CCCN2CCCCC2)o1 ZINC000079073948 185154288 /nfs/dbraw/zinc/15/42/88/185154288.db2.gz HMXHSXAPDICQOY-UHFFFAOYSA-N 1 3 302.422 2.944 20 0 DFADHO CC(C)C[C@H](CN(C)C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000236753252 398364148 /nfs/dbraw/zinc/36/41/48/398364148.db2.gz HFXKTWMOHYGHHQ-IAGOWNOFSA-N 1 3 305.466 2.559 20 0 DFADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](N)CC(C)C)cc1 ZINC000236871641 398364489 /nfs/dbraw/zinc/36/44/89/398364489.db2.gz TUDSRPGLWVBBHL-QGZVFWFLSA-N 1 3 321.465 2.719 20 0 DFADHO Brc1ccsc1CNCC[C@H]1CCC[NH2+]C1 ZINC000087575929 185228829 /nfs/dbraw/zinc/22/88/29/185228829.db2.gz MDEMSLLTHBCSNG-SNVBAGLBSA-N 1 3 303.269 2.990 20 0 DFADHO C[C@H]([NH2+]C1(CNC(=O)CNC2CC2)CCCC1)c1ccccc1 ZINC000237525023 398371722 /nfs/dbraw/zinc/37/17/22/398371722.db2.gz NDRBSAXSTHIQTE-HNNXBMFYSA-N 1 3 315.461 2.518 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCC(C)CC2)[C@@H]1SC ZINC000459375912 299090410 /nfs/dbraw/zinc/09/04/10/299090410.db2.gz KTWMZDCVETYJKH-XHSDSOJGSA-N 1 3 300.512 2.607 20 0 DFADHO C[NH+](C)CCC1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000092381285 185314553 /nfs/dbraw/zinc/31/45/53/185314553.db2.gz XHEDPZLKZLRCOU-UHFFFAOYSA-N 1 3 313.449 2.635 20 0 DFADHO CCCC[NH+]1CCC(N[C@@H]2C[C@@H](OCC)[C@H]2SC)CC1 ZINC000459387942 299093415 /nfs/dbraw/zinc/09/34/15/299093415.db2.gz DKXVNNXYNURYDV-OAGGEKHMSA-N 1 3 300.512 2.750 20 0 DFADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@H]2CC=CCC2)CC1 ZINC000092664666 185332284 /nfs/dbraw/zinc/33/22/84/185332284.db2.gz SOBHSGHIFPYWDN-QRVBRYPASA-N 1 3 305.510 2.833 20 0 DFADHO COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)s1 ZINC000092738771 185338040 /nfs/dbraw/zinc/33/80/40/185338040.db2.gz NCSHMCFOMKZTHY-GXTWGEPZSA-N 1 3 323.506 2.775 20 0 DFADHO C[C@H](NCCn1cc(Cl)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459405871 299098333 /nfs/dbraw/zinc/09/83/33/299098333.db2.gz OCPSZYVRVWPDMY-UONOGXRCSA-N 1 3 310.873 2.779 20 0 DFADHO C[C@H](NCCn1cc(Cl)cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459405871 299098336 /nfs/dbraw/zinc/09/83/36/299098336.db2.gz OCPSZYVRVWPDMY-UONOGXRCSA-N 1 3 310.873 2.779 20 0 DFADHO C[C@H]([NH2+]CCn1cc(Cl)cn1)[C@@H]1CCCN(C2CCC2)C1 ZINC000459405871 299098338 /nfs/dbraw/zinc/09/83/38/299098338.db2.gz OCPSZYVRVWPDMY-UONOGXRCSA-N 1 3 310.873 2.779 20 0 DFADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000292895198 529811200 /nfs/dbraw/zinc/81/12/00/529811200.db2.gz ZKJIMMVGCDVPQT-IBGZPJMESA-N 1 3 324.428 2.797 20 0 DFADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000292895198 529811202 /nfs/dbraw/zinc/81/12/02/529811202.db2.gz ZKJIMMVGCDVPQT-IBGZPJMESA-N 1 3 324.428 2.797 20 0 DFADHO CC(C)(C)OC(=O)[C@@H]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000592379376 398418957 /nfs/dbraw/zinc/41/89/57/398418957.db2.gz MNTKZLDTDJXLBL-UGUYLWEFSA-N 1 3 308.466 2.713 20 0 DFADHO CC(C)(C)OC(=O)[C@@H]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000592379376 398418958 /nfs/dbraw/zinc/41/89/58/398418958.db2.gz MNTKZLDTDJXLBL-UGUYLWEFSA-N 1 3 308.466 2.713 20 0 DFADHO C[N@H+](CCCNC(=O)[C@@H]1NCCCC1(C)C)C1CCCCC1 ZINC000319624544 529891288 /nfs/dbraw/zinc/89/12/88/529891288.db2.gz FSJAHEOPKTZIJL-INIZCTEOSA-N 1 3 309.498 2.535 20 0 DFADHO C[N@@H+](CCCNC(=O)[C@@H]1NCCCC1(C)C)C1CCCCC1 ZINC000319624544 529891289 /nfs/dbraw/zinc/89/12/89/529891289.db2.gz FSJAHEOPKTZIJL-INIZCTEOSA-N 1 3 309.498 2.535 20 0 DFADHO COc1ccc(CNC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000459431394 299104744 /nfs/dbraw/zinc/10/47/44/299104744.db2.gz FGXSBDWNMQREJV-UHFFFAOYSA-N 1 3 315.392 2.988 20 0 DFADHO C[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)[NH+]1CCCCCC1 ZINC000025408044 398440895 /nfs/dbraw/zinc/44/08/95/398440895.db2.gz ZISWFZPRJGAMCP-SJLPKXTDSA-N 1 3 317.477 2.670 20 0 DFADHO COC(=O)c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000592492161 398433586 /nfs/dbraw/zinc/43/35/86/398433586.db2.gz SOOLSKXXNNXAAK-ZIAGYGMSSA-N 1 3 322.474 2.746 20 0 DFADHO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459435463 299105869 /nfs/dbraw/zinc/10/58/69/299105869.db2.gz VRNYNQDITHKOIP-IAGOWNOFSA-N 1 3 316.493 2.903 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000294708899 530051029 /nfs/dbraw/zinc/05/10/29/530051029.db2.gz JKHXWXPOIGXBJF-QGZVFWFLSA-N 1 3 322.880 2.707 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)N2CCCCC2)[C@H]1SC ZINC000459480562 299117502 /nfs/dbraw/zinc/11/75/02/299117502.db2.gz LWMKNYWZNUWGSA-CAOSSQGBSA-N 1 3 300.512 2.750 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)CC1CCC(F)(F)CC1 ZINC000459518328 299123731 /nfs/dbraw/zinc/12/37/31/299123731.db2.gz FTVSOUFTWSKLRC-UHFFFAOYSA-N 1 3 305.457 2.627 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)CC1CCC(F)(F)CC1 ZINC000459518328 299123732 /nfs/dbraw/zinc/12/37/32/299123732.db2.gz FTVSOUFTWSKLRC-UHFFFAOYSA-N 1 3 305.457 2.627 20 0 DFADHO C[C@@H]([NH2+]C1CCC(O)CC1)c1cccc(OCCN(C)C)c1 ZINC000090800315 398492608 /nfs/dbraw/zinc/49/26/08/398492608.db2.gz IPBJGPSJTRKDBD-ODIFPOPNSA-N 1 3 306.450 2.581 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1cccc(-c2cnn(C)c2)c1 ZINC000090920329 398497350 /nfs/dbraw/zinc/49/73/50/398497350.db2.gz YPFZWLHXZBSCED-VCBZYWHSSA-N 1 3 312.461 2.905 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cccc(-c2cnn(C)c2)c1 ZINC000090920329 398497354 /nfs/dbraw/zinc/49/73/54/398497354.db2.gz YPFZWLHXZBSCED-VCBZYWHSSA-N 1 3 312.461 2.905 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000068450075 398504747 /nfs/dbraw/zinc/50/47/47/398504747.db2.gz CSDWFHTZNRTISF-GOSISDBHSA-N 1 3 323.525 2.878 20 0 DFADHO CC(C)(C)CC[C@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459532446 299127904 /nfs/dbraw/zinc/12/79/04/299127904.db2.gz RCXGZMCWDIHCPD-MRXNPFEDSA-N 1 3 305.466 2.827 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(OC)cc2C)CC1 ZINC000414077862 295764357 /nfs/dbraw/zinc/76/43/57/295764357.db2.gz ZMTRNRBJUQSMAO-KRWDZBQOSA-N 1 3 319.493 2.682 20 0 DFADHO CCN(CC)CCC[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000286973263 219252222 /nfs/dbraw/zinc/25/22/22/219252222.db2.gz NWNJIJBCUASVFX-OAHLLOKOSA-N 1 3 301.438 2.650 20 0 DFADHO OC1(C[NH2+][C@H]2CCC23CCC3)CCN(Cc2ccccc2)CC1 ZINC000414305114 295786366 /nfs/dbraw/zinc/78/63/66/295786366.db2.gz NERGHNDPCRPCES-SFHVURJKSA-N 1 3 314.473 2.936 20 0 DFADHO C[NH+](C)C(C)(C)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000041903793 398575807 /nfs/dbraw/zinc/57/58/07/398575807.db2.gz OYDBKRWQWCAOLA-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO COc1ccc(COCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000133654218 186003291 /nfs/dbraw/zinc/00/32/91/186003291.db2.gz XQJSLOFJDCDBOI-IIDMSEBBSA-N 1 3 306.450 2.530 20 0 DFADHO COc1ccc(COCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000133654218 186003293 /nfs/dbraw/zinc/00/32/93/186003293.db2.gz XQJSLOFJDCDBOI-IIDMSEBBSA-N 1 3 306.450 2.530 20 0 DFADHO CC[NH+]1CCC(N[C@H](C)c2ccc(CCNC(C)=O)cc2)CC1 ZINC000092720541 398597937 /nfs/dbraw/zinc/59/79/37/398597937.db2.gz DFURFRPWXFPZLR-OAHLLOKOSA-N 1 3 317.477 2.500 20 0 DFADHO COC(=O)c1cc(CNCC2CC[NH+](CC3CC3)CC2)c(C)o1 ZINC000597247679 398606473 /nfs/dbraw/zinc/60/64/73/398606473.db2.gz ALYFMMNJFUAYGN-UHFFFAOYSA-N 1 3 320.433 2.586 20 0 DFADHO CCOC(=O)[C@@]1(C)CCC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000597240510 398602598 /nfs/dbraw/zinc/60/25/98/398602598.db2.gz OOOFSWURMSDAGV-QAPCUYQASA-N 1 3 310.482 2.961 20 0 DFADHO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc(OCCN(C)C)cc1 ZINC000164014540 186145996 /nfs/dbraw/zinc/14/59/96/186145996.db2.gz MHHKSZMBKKHZDT-YOEHRIQHSA-N 1 3 308.466 2.685 20 0 DFADHO COc1cc([C@H](C)NCC2CC[NH+](C3CC3)CC2)c(F)cn1 ZINC000287172989 219359246 /nfs/dbraw/zinc/35/92/46/219359246.db2.gz USGLFWGDPVKTGW-LBPRGKRZSA-N 1 3 307.413 2.754 20 0 DFADHO C[C@H](Cc1ccccc1)CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000182028553 199376739 /nfs/dbraw/zinc/37/67/39/199376739.db2.gz BFJIZMDMYYMROY-LJQANCHMSA-N 1 3 315.505 2.579 20 0 DFADHO CCN(CC)c1ncc(CNCC2CC[NH+](CC)CC2)s1 ZINC000044517758 398647129 /nfs/dbraw/zinc/64/71/29/398647129.db2.gz CHKBZPALPIDRNX-UHFFFAOYSA-N 1 3 310.511 2.811 20 0 DFADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000266860484 186362716 /nfs/dbraw/zinc/36/27/16/186362716.db2.gz KVPCYMUMGMWYNV-SFHVURJKSA-N 1 3 324.472 2.945 20 0 DFADHO CN(C)[C@@H](CNC(=O)CN(C)C1CC(C)(C)C1)c1ccccc1 ZINC000459735309 299176550 /nfs/dbraw/zinc/17/65/50/299176550.db2.gz DWHAIPQBLKNENF-KRWDZBQOSA-N 1 3 317.477 2.526 20 0 DFADHO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC(C)(C)C1 ZINC000459735309 299176553 /nfs/dbraw/zinc/17/65/53/299176553.db2.gz DWHAIPQBLKNENF-KRWDZBQOSA-N 1 3 317.477 2.526 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000414835491 295823880 /nfs/dbraw/zinc/82/38/80/295823880.db2.gz UGHQKZYKNXFWMO-JTUUTPGSSA-N 1 3 315.461 2.893 20 0 DFADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000590787120 398675145 /nfs/dbraw/zinc/67/51/45/398675145.db2.gz XJDZVMFPNFXWKY-KRWDZBQOSA-N 1 3 323.525 2.686 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000590787120 398675149 /nfs/dbraw/zinc/67/51/49/398675149.db2.gz XJDZVMFPNFXWKY-KRWDZBQOSA-N 1 3 323.525 2.686 20 0 DFADHO [NH3+]C[C@H]1CC[C@H](CNCc2ccc(Br)cn2)CC1 ZINC000415017731 295847562 /nfs/dbraw/zinc/84/75/62/295847562.db2.gz AANSFKYTPDBRJJ-HAQNSBGRSA-N 1 3 312.255 2.699 20 0 DFADHO COc1ccc(CCCN[C@H](C)C[C@H]2CCC[NH2+]2)cc1OC ZINC000415077023 295855052 /nfs/dbraw/zinc/85/50/52/295855052.db2.gz DORXXSNKSRLMEJ-GDBMZVCRSA-N 1 3 306.450 2.757 20 0 DFADHO Cc1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1F ZINC000415111229 295859360 /nfs/dbraw/zinc/85/93/60/295859360.db2.gz QJFJVJPOZLGQMW-MSOLQXFVSA-N 1 3 306.425 2.852 20 0 DFADHO COCc1cccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415131659 295862858 /nfs/dbraw/zinc/86/28/58/295862858.db2.gz ZXNCIQWOMMNPCY-MOPGFXCFSA-N 1 3 318.461 2.551 20 0 DFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000236789540 202009899 /nfs/dbraw/zinc/00/98/99/202009899.db2.gz FMIJJUZNSQLZEY-SFHVURJKSA-N 1 3 317.477 2.728 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129250691 283007931 /nfs/dbraw/zinc/00/79/31/283007931.db2.gz KSXMOQJILHDXOI-HIFRSBDPSA-N 1 3 321.431 2.723 20 0 DFADHO CC(C)[C@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)N(C)C ZINC000110767895 398724570 /nfs/dbraw/zinc/72/45/70/398724570.db2.gz REIGLHYNGGNXRH-QGZVFWFLSA-N 1 3 321.465 2.542 20 0 DFADHO CN(C)Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000073411109 191314327 /nfs/dbraw/zinc/31/43/27/191314327.db2.gz MTIAWWDNLAZUDK-UHFFFAOYSA-N 1 3 317.477 2.787 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)CC1CC[NH2+]CC1)c1ccsc1 ZINC000236820319 202025460 /nfs/dbraw/zinc/02/54/60/202025460.db2.gz QPOJFEIHDAGCCA-INIZCTEOSA-N 1 3 323.506 2.637 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccnc2C)[C@H](C)C1 ZINC000115628383 398754268 /nfs/dbraw/zinc/75/42/68/398754268.db2.gz OWUYXKGBAQMJNF-CRAIPNDOSA-N 1 3 305.466 2.617 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H](N[C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000591578219 398773277 /nfs/dbraw/zinc/77/32/77/398773277.db2.gz AHBNMQMOCIFTSL-QGTPRVQTSA-N 1 3 316.445 2.900 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(C3CC3)s2)C[C@H](C)O1 ZINC000134251477 283179114 /nfs/dbraw/zinc/17/91/14/283179114.db2.gz OMAKULVALHFKNE-OKILXGFUSA-N 1 3 323.506 3.000 20 0 DFADHO CC[NH+]1CCC(CCNC(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000236851577 202036946 /nfs/dbraw/zinc/03/69/46/202036946.db2.gz GRVMVOPYLPFSPE-MAUKXSAKSA-N 1 3 317.477 2.561 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000236888731 202054297 /nfs/dbraw/zinc/05/42/97/202054297.db2.gz RDPDXFVYGXHMCA-YOEHRIQHSA-N 1 3 305.466 2.518 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)CC(C)C)c1ccccc1 ZINC000236879315 202049915 /nfs/dbraw/zinc/04/99/15/202049915.db2.gz HUSXUXHDHHJDGQ-DLBZAZTESA-N 1 3 305.466 2.559 20 0 DFADHO CCC[C@@H]1[C@@H](C)CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000464729277 299246321 /nfs/dbraw/zinc/24/63/21/299246321.db2.gz DIJMYPDNDKXXPU-FUHWJXTLSA-N 1 3 323.525 2.876 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000236886887 202052310 /nfs/dbraw/zinc/05/23/10/202052310.db2.gz LNUAXVSODHIPPU-YJBOKZPZSA-N 1 3 317.477 2.805 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236886887 202052313 /nfs/dbraw/zinc/05/23/13/202052313.db2.gz LNUAXVSODHIPPU-YJBOKZPZSA-N 1 3 317.477 2.805 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](N)C(C)(C)C ZINC000236907451 202064480 /nfs/dbraw/zinc/06/44/80/202064480.db2.gz HFMQCORXKWTBIH-MRXNPFEDSA-N 1 3 305.466 2.518 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000236939737 202082543 /nfs/dbraw/zinc/08/25/43/202082543.db2.gz HBYACSIYLUUIBF-UHFFFAOYSA-N 1 3 314.477 2.675 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000236985971 202109027 /nfs/dbraw/zinc/10/90/27/202109027.db2.gz RDPDXFVYGXHMCA-RHSMWYFYSA-N 1 3 305.466 2.518 20 0 DFADHO CN1CCC[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000121226910 398786529 /nfs/dbraw/zinc/78/65/29/398786529.db2.gz GEKHBGJFXYBZJS-GOSISDBHSA-N 1 3 301.478 2.582 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000237048105 202135135 /nfs/dbraw/zinc/13/51/35/202135135.db2.gz KEYMMAIHCBAGNO-YOEHRIQHSA-N 1 3 305.466 2.518 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000237019920 202124954 /nfs/dbraw/zinc/12/49/54/202124954.db2.gz NMGHJRZHYMYACZ-DAYGRLMNSA-N 1 3 317.477 2.702 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000247278080 283209135 /nfs/dbraw/zinc/20/91/35/283209135.db2.gz FUFNWKRXOFPPLP-IRXDYDNUSA-N 1 3 311.514 2.830 20 0 DFADHO CN(C)[C@@H](CC(=O)NC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000416248693 295934317 /nfs/dbraw/zinc/93/43/17/295934317.db2.gz TVULYHNWWLNKIV-KRWDZBQOSA-N 1 3 317.477 2.670 20 0 DFADHO COC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000125609478 398807809 /nfs/dbraw/zinc/80/78/09/398807809.db2.gz HZSUHYLYVNGATJ-PKOBYXMFSA-N 1 3 304.478 2.956 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCOCCOc1ccccc1 ZINC000075860519 398825160 /nfs/dbraw/zinc/82/51/60/398825160.db2.gz DVXBURRLMFJWNV-GOSISDBHSA-N 1 3 320.477 2.888 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCOCCOc1ccccc1 ZINC000075860519 398825163 /nfs/dbraw/zinc/82/51/63/398825163.db2.gz DVXBURRLMFJWNV-GOSISDBHSA-N 1 3 320.477 2.888 20 0 DFADHO COc1cc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)ccc1F ZINC000152893518 283344358 /nfs/dbraw/zinc/34/43/58/283344358.db2.gz GZABLAAEWMCDTK-HNNXBMFYSA-N 1 3 323.456 2.513 20 0 DFADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000594935618 398875680 /nfs/dbraw/zinc/87/56/80/398875680.db2.gz GSAOADOEHDIRFT-IAOVAPTHSA-N 1 3 308.466 2.571 20 0 DFADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000594935618 398875685 /nfs/dbraw/zinc/87/56/85/398875685.db2.gz GSAOADOEHDIRFT-IAOVAPTHSA-N 1 3 308.466 2.571 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000180996267 199238549 /nfs/dbraw/zinc/23/85/49/199238549.db2.gz JJWQNOBJTIOSEJ-APWZRJJASA-N 1 3 300.446 2.699 20 0 DFADHO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000180998708 199238719 /nfs/dbraw/zinc/23/87/19/199238719.db2.gz XWXVHSOJQIRNNM-GJZGRUSLSA-N 1 3 305.466 2.502 20 0 DFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cncc(F)c1 ZINC000178039372 299290242 /nfs/dbraw/zinc/29/02/42/299290242.db2.gz UOVULTHNAVFXGU-ZNMIVQPWSA-N 1 3 309.429 2.761 20 0 DFADHO CC(C)C1CCC(N2CCN(C[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000469972156 299291095 /nfs/dbraw/zinc/29/10/95/299291095.db2.gz JSLMEIMCMIZYCT-VIQWUECVSA-N 1 3 307.526 2.818 20 0 DFADHO C[C@@H](CC[NH2+]C1CCN(CC(F)(F)F)CC1)N1CCCCC1 ZINC000183226674 283454329 /nfs/dbraw/zinc/45/43/29/283454329.db2.gz KWJWZHKZCZIMFD-AWEZNQCLSA-N 1 3 321.431 2.867 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(F)c1 ZINC000187750614 200152973 /nfs/dbraw/zinc/15/29/73/200152973.db2.gz AAOLWGYQFWJTIM-GOSISDBHSA-N 1 3 307.457 2.892 20 0 DFADHO [NH3+]C1(CNC(=O)c2cccc(CN3CCCC3)c2)CCCCC1 ZINC000237779090 202353062 /nfs/dbraw/zinc/35/30/62/202353062.db2.gz UAQRZGVWCHZWMN-UHFFFAOYSA-N 1 3 315.461 2.674 20 0 DFADHO N[C@H](CC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000237850721 202371162 /nfs/dbraw/zinc/37/11/62/202371162.db2.gz KDXXEIFLSNDNMV-GOSISDBHSA-N 1 3 317.477 2.849 20 0 DFADHO NC1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCCC1 ZINC000237885476 202378895 /nfs/dbraw/zinc/37/88/95/202378895.db2.gz XKMIDLKKAHOVAW-KRWDZBQOSA-N 1 3 321.509 2.763 20 0 DFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1ccc(Cl)cc1F ZINC000189331132 200382934 /nfs/dbraw/zinc/38/29/34/200382934.db2.gz NYBMCKKIBGSOOA-OAHLLOKOSA-N 1 3 314.832 2.806 20 0 DFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1ccc(Cl)cc1F ZINC000189331132 200382936 /nfs/dbraw/zinc/38/29/36/200382936.db2.gz NYBMCKKIBGSOOA-OAHLLOKOSA-N 1 3 314.832 2.806 20 0 DFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417333004 296011126 /nfs/dbraw/zinc/01/11/26/296011126.db2.gz PCVNNGBKLPXJLK-OWCLPIDISA-N 1 3 321.534 2.856 20 0 DFADHO CN(C)C1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000417351453 296012861 /nfs/dbraw/zinc/01/28/61/296012861.db2.gz CPTZFKCDMIMEIG-IPMKNSEASA-N 1 3 313.489 2.581 20 0 DFADHO CN(C)C(=O)c1ccccc1CN1CCC(CC[NH+](C)C)CC1 ZINC000417738731 296045708 /nfs/dbraw/zinc/04/57/08/296045708.db2.gz PLKYFVMKJPJLQS-UHFFFAOYSA-N 1 3 317.477 2.552 20 0 DFADHO COC(=O)Cc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000600186658 398995385 /nfs/dbraw/zinc/99/53/85/398995385.db2.gz GMKHHKOTFRJNEM-UHFFFAOYSA-N 1 3 318.461 2.755 20 0 DFADHO COc1cccc(CNCC2=CC[N@H+](C)CC2)c1OC(F)F ZINC000271846960 209264024 /nfs/dbraw/zinc/26/40/24/209264024.db2.gz SBJVPGFCSIZDGL-UHFFFAOYSA-N 1 3 312.360 2.648 20 0 DFADHO COc1cccc(CNCC2=CC[N@@H+](C)CC2)c1OC(F)F ZINC000271846960 209264026 /nfs/dbraw/zinc/26/40/26/209264026.db2.gz SBJVPGFCSIZDGL-UHFFFAOYSA-N 1 3 312.360 2.648 20 0 DFADHO CCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC(C)C ZINC000475016773 299340905 /nfs/dbraw/zinc/34/09/05/299340905.db2.gz IDWLGHMXSQFLLW-GOSISDBHSA-N 1 3 319.493 2.774 20 0 DFADHO CCC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC(C)C ZINC000475016773 299340908 /nfs/dbraw/zinc/34/09/08/299340908.db2.gz IDWLGHMXSQFLLW-GOSISDBHSA-N 1 3 319.493 2.774 20 0 DFADHO CCCCN1CCCC[C@@H]1CNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000475925074 299351129 /nfs/dbraw/zinc/35/11/29/299351129.db2.gz FHMYSUUZLQNAAP-JKSUJKDBSA-N 1 3 311.514 2.924 20 0 DFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418359737 296088284 /nfs/dbraw/zinc/08/82/84/296088284.db2.gz SHBMJFPKMLNVCQ-SJORKVTESA-N 1 3 320.481 2.627 20 0 DFADHO C[C@@H](CC(=O)N1CCCCCC1)NCC(C)(C)C[NH+]1CCCC1 ZINC000477925946 299364201 /nfs/dbraw/zinc/36/42/01/299364201.db2.gz FDVPHYTYYAUFFM-KRWDZBQOSA-N 1 3 323.525 2.879 20 0 DFADHO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477925946 299364204 /nfs/dbraw/zinc/36/42/04/299364204.db2.gz FDVPHYTYYAUFFM-KRWDZBQOSA-N 1 3 323.525 2.879 20 0 DFADHO CCc1ccc([C@@H]([NH2+]CC2(O)CCN(C)CC2)C(C)C)cc1 ZINC000271774229 209202824 /nfs/dbraw/zinc/20/28/24/209202824.db2.gz UUICJJIXJNLBDE-SFHVURJKSA-N 1 3 304.478 2.992 20 0 DFADHO CC(=O)N1CC[C@@H](NCC[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000621763132 399071644 /nfs/dbraw/zinc/07/16/44/399071644.db2.gz RCPBCIRROHTVKG-FUHWJXTLSA-N 1 3 315.461 2.806 20 0 DFADHO CC(=O)N1CC[C@@H](NCC[C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000621763132 399071649 /nfs/dbraw/zinc/07/16/49/399071649.db2.gz RCPBCIRROHTVKG-FUHWJXTLSA-N 1 3 315.461 2.806 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000079655162 399072387 /nfs/dbraw/zinc/07/23/87/399072387.db2.gz OGDBPEIGFHYLKZ-GOSISDBHSA-N 1 3 323.525 2.735 20 0 DFADHO COc1nc(C)cc(C)c1CN(C)CCCC1CC[NH2+]CC1 ZINC000621778680 399075561 /nfs/dbraw/zinc/07/55/61/399075561.db2.gz TYBQTUZWOFIMNX-UHFFFAOYSA-N 1 3 305.466 2.919 20 0 DFADHO CC[C@H](C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)OC ZINC000419218953 296128288 /nfs/dbraw/zinc/12/82/88/296128288.db2.gz SIGDXRYYBBXIHQ-JFIYKMOQSA-N 1 3 312.498 2.623 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000261778964 203114533 /nfs/dbraw/zinc/11/45/33/203114533.db2.gz WRLHUUGZARMRAK-ZBFHGGJFSA-N 1 3 306.450 2.566 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000261880081 203142456 /nfs/dbraw/zinc/14/24/56/203142456.db2.gz RTCPRLWFTZRQEM-HOTGVXAUSA-N 1 3 317.477 2.622 20 0 DFADHO CCC[C@](C)(N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000262092633 203197218 /nfs/dbraw/zinc/19/72/18/203197218.db2.gz AVFWHTHIIORGCR-IBGZPJMESA-N 1 3 317.477 2.532 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262304526 203256169 /nfs/dbraw/zinc/25/61/69/203256169.db2.gz CAKQFVTTZGTAFG-QFBILLFUSA-N 1 3 315.461 2.775 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000600711399 399120265 /nfs/dbraw/zinc/12/02/65/399120265.db2.gz SVVSDTTYWQTBHJ-XHSDSOJGSA-N 1 3 308.466 2.763 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000600711398 399120594 /nfs/dbraw/zinc/12/05/94/399120594.db2.gz SVVSDTTYWQTBHJ-JYJNAYRXSA-N 1 3 308.466 2.763 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000600711397 399120704 /nfs/dbraw/zinc/12/07/04/399120704.db2.gz SVVSDTTYWQTBHJ-HRCADAONSA-N 1 3 308.466 2.763 20 0 DFADHO Cc1cc2ncc([C@@H](C)NCCC3CC[NH+](C)CC3)c(C)n2n1 ZINC000093405338 193245762 /nfs/dbraw/zinc/24/57/62/193245762.db2.gz RHPUOYPZXUXLDC-CQSZACIVSA-N 1 3 315.465 2.729 20 0 DFADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@]1(C)CCCO1 ZINC000340270360 284165586 /nfs/dbraw/zinc/16/55/86/284165586.db2.gz AWDIVFOAYBDWDC-YJBOKZPZSA-N 1 3 303.450 2.845 20 0 DFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(C)(C)N)c1 ZINC000262654197 203367773 /nfs/dbraw/zinc/36/77/73/203367773.db2.gz SXHKERSGPVVOFO-UHFFFAOYSA-N 1 3 305.466 2.662 20 0 DFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(C)(C)N)c1 ZINC000262654197 203367776 /nfs/dbraw/zinc/36/77/76/203367776.db2.gz SXHKERSGPVVOFO-UHFFFAOYSA-N 1 3 305.466 2.662 20 0 DFADHO CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000262717035 203391495 /nfs/dbraw/zinc/39/14/95/203391495.db2.gz VZBLHMPUNXJVHF-IEBWSBKVSA-N 1 3 317.477 2.766 20 0 DFADHO C[C@H]1CN(CCC2CC[NH+](Cc3cccn3C)CC2)C[C@H](C)O1 ZINC000093844461 193317391 /nfs/dbraw/zinc/31/73/91/193317391.db2.gz UXBLKRRZCKNXCH-IRXDYDNUSA-N 1 3 319.493 2.736 20 0 DFADHO COC(=O)c1ccccc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901248 399128125 /nfs/dbraw/zinc/12/81/25/399128125.db2.gz TWNLELBECAIHSD-INIZCTEOSA-N 1 3 316.445 2.685 20 0 DFADHO CCOc1cc2nccc(N3CCC[C@H]([NH3+])C3)c2cc1OCC ZINC000420111241 296158714 /nfs/dbraw/zinc/15/87/14/296158714.db2.gz GIHOQAFHOVIPLI-ZDUSSCGKSA-N 1 3 315.417 2.960 20 0 DFADHO Cc1cc(N2CC[C@H](C[NH3+])C2)c2cc(OC(F)F)ccc2n1 ZINC000420166922 296160204 /nfs/dbraw/zinc/16/02/04/296160204.db2.gz IQUHKBOLOCFSJN-LLVKDONJSA-N 1 3 307.344 2.930 20 0 DFADHO Cc1ccc2nccc(NCCC[NH2+]Cc3cccnc3)c2c1 ZINC000420184419 296161062 /nfs/dbraw/zinc/16/10/62/296161062.db2.gz NNGFEGZCDAPCFJ-UHFFFAOYSA-N 1 3 306.413 2.952 20 0 DFADHO Cc1cc(NC[C@@H]2CC[NH2+]C2)c2cc(OC(F)F)ccc2n1 ZINC000420229309 296163915 /nfs/dbraw/zinc/16/39/15/296163915.db2.gz NPUZGMJCZFLPHD-LLVKDONJSA-N 1 3 307.344 2.588 20 0 DFADHO CCc1cc(NCC2(COC)CC[NH2+]CC2)c2ccccc2n1 ZINC000420238462 296164884 /nfs/dbraw/zinc/16/48/84/296164884.db2.gz JHGDPHBSGHSXEP-UHFFFAOYSA-N 1 3 313.445 2.647 20 0 DFADHO CCCN1CCC([NH2+]Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000061016348 399147430 /nfs/dbraw/zinc/14/74/30/399147430.db2.gz SKRKSMSASQPRBO-UHFFFAOYSA-N 1 3 322.449 2.676 20 0 DFADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccccc2C)CC1 ZINC000264642865 204049805 /nfs/dbraw/zinc/04/98/05/204049805.db2.gz VTJZTUZHQHWEOD-SFHVURJKSA-N 1 3 320.477 2.541 20 0 DFADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccccc2C)CC1 ZINC000264642865 204049810 /nfs/dbraw/zinc/04/98/10/204049810.db2.gz VTJZTUZHQHWEOD-SFHVURJKSA-N 1 3 320.477 2.541 20 0 DFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](C)N ZINC000420273957 296168170 /nfs/dbraw/zinc/16/81/70/296168170.db2.gz OAMVPPPMGHBECE-GOEBONIOSA-N 1 3 319.449 2.616 20 0 DFADHO CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)N ZINC000420273957 296168171 /nfs/dbraw/zinc/16/81/71/296168171.db2.gz OAMVPPPMGHBECE-GOEBONIOSA-N 1 3 319.449 2.616 20 0 DFADHO CCOc1cc2nccc(NC[C@@H]([NH3+])CC)c2cc1OCC ZINC000420266539 296167451 /nfs/dbraw/zinc/16/74/51/296167451.db2.gz QVKKSUUCFJSTBR-LBPRGKRZSA-N 1 3 303.406 2.603 20 0 DFADHO C[C@H](c1ccc(Cl)cc1)N(CCN1CC[NH2+]CC1)C1CC1 ZINC000420295342 296170686 /nfs/dbraw/zinc/17/06/86/296170686.db2.gz AAEOFYGCVIXAAO-CQSZACIVSA-N 1 3 307.869 2.771 20 0 DFADHO COc1cc(CN(C)CC[C@@H]2CC[NH2+]C2)c(SC)cc1OC ZINC000420297121 296170909 /nfs/dbraw/zinc/17/09/09/296170909.db2.gz FNCHXZDYAQZZJD-ZDUSSCGKSA-N 1 3 324.490 2.857 20 0 DFADHO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCN1CCNCC1 ZINC000420297151 296170966 /nfs/dbraw/zinc/17/09/66/296170966.db2.gz FOSMVSBBYXMNCG-RTBURBONSA-N 1 3 301.478 2.550 20 0 DFADHO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCN1CCNCC1 ZINC000420297151 296170967 /nfs/dbraw/zinc/17/09/67/296170967.db2.gz FOSMVSBBYXMNCG-RTBURBONSA-N 1 3 301.478 2.550 20 0 DFADHO COc1ccccc1CN(CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000420297430 296171060 /nfs/dbraw/zinc/17/10/60/296171060.db2.gz DITSJFGLNVVWOF-WMZOPIPTSA-N 1 3 318.461 2.676 20 0 DFADHO CCN(CC[C@@H]1CCC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000420301112 296171701 /nfs/dbraw/zinc/17/17/01/296171701.db2.gz LAWNFWLSFRTKOQ-WMZOPIPTSA-N 1 3 315.461 2.504 20 0 DFADHO CCC[C@@H](CN1CCC([N@H+](C)CCO)CC1)c1ccccc1 ZINC000271739366 209171505 /nfs/dbraw/zinc/17/15/05/209171505.db2.gz QCRSFYIYTHRIJP-SFHVURJKSA-N 1 3 304.478 2.959 20 0 DFADHO CCC[C@@H](CN1CCC([N@@H+](C)CCO)CC1)c1ccccc1 ZINC000271739366 209171508 /nfs/dbraw/zinc/17/15/08/209171508.db2.gz QCRSFYIYTHRIJP-SFHVURJKSA-N 1 3 304.478 2.959 20 0 DFADHO COC(=O)CCC[N@@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000420304599 296172321 /nfs/dbraw/zinc/17/23/21/296172321.db2.gz FDFLAYBHKWDVBG-ROUUACIJSA-N 1 3 318.461 2.612 20 0 DFADHO COC(=O)CCC[N@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000420304599 296172322 /nfs/dbraw/zinc/17/23/22/296172322.db2.gz FDFLAYBHKWDVBG-ROUUACIJSA-N 1 3 318.461 2.612 20 0 DFADHO Cc1cccc(NC(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)c1C ZINC000420317494 296174238 /nfs/dbraw/zinc/17/42/38/296174238.db2.gz UOXJWICVVTUSKE-JKSUJKDBSA-N 1 3 303.450 2.691 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000420322784 296174948 /nfs/dbraw/zinc/17/49/48/296174948.db2.gz FKNCEZOIFWMMIF-SJORKVTESA-N 1 3 324.852 2.547 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000420325842 296175580 /nfs/dbraw/zinc/17/55/80/296175580.db2.gz DKCZZANWCXELRT-CVEARBPZSA-N 1 3 310.388 2.952 20 0 DFADHO CN(CCN1CC[NH2+]CC1)Cc1ccccc1-c1ccccc1 ZINC000420327803 296175973 /nfs/dbraw/zinc/17/59/73/296175973.db2.gz YVJPALIXGNPNEJ-UHFFFAOYSA-N 1 3 309.457 2.691 20 0 DFADHO Cc1ccc(NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000420339548 296177504 /nfs/dbraw/zinc/17/75/04/296177504.db2.gz LZTGAHCPSZEALV-IAGOWNOFSA-N 1 3 315.461 2.563 20 0 DFADHO CC(=O)Nc1cccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420340078 296177520 /nfs/dbraw/zinc/17/75/20/296177520.db2.gz RVFFRNGGJKXXKD-GOSISDBHSA-N 1 3 301.434 2.609 20 0 DFADHO Cc1cc(C)cc(NC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420345050 296178135 /nfs/dbraw/zinc/17/81/35/296178135.db2.gz UZDOYQANIKFKPP-ZACQAIPSSA-N 1 3 315.461 2.562 20 0 DFADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420346846 296178485 /nfs/dbraw/zinc/17/84/85/296178485.db2.gz ZGSXLQRZVGXPSR-KBAYOESNSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)CCC2 ZINC000282490857 217036523 /nfs/dbraw/zinc/03/65/23/217036523.db2.gz XMCUYINEXYWCBW-MRXNPFEDSA-N 1 3 315.505 2.852 20 0 DFADHO COc1ccc([C@@H](C[NH3+])CN(C)C[C@@H](C)c2nccs2)cc1 ZINC000420354742 296179255 /nfs/dbraw/zinc/17/92/55/296179255.db2.gz DFDRADMGTYDFBB-HIFRSBDPSA-N 1 3 319.474 2.930 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+](C)C[C@@H](C)c2nccs2)cc1 ZINC000420354742 296179258 /nfs/dbraw/zinc/17/92/58/296179258.db2.gz DFDRADMGTYDFBB-HIFRSBDPSA-N 1 3 319.474 2.930 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+](C)C[C@@H](C)c2nccs2)cc1 ZINC000420354742 296179261 /nfs/dbraw/zinc/17/92/61/296179261.db2.gz DFDRADMGTYDFBB-HIFRSBDPSA-N 1 3 319.474 2.930 20 0 DFADHO CC[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1(C(=O)OC)CCC1 ZINC000596092556 399170514 /nfs/dbraw/zinc/17/05/14/399170514.db2.gz BLSNMTWCNAGAFK-IAGOWNOFSA-N 1 3 322.493 2.820 20 0 DFADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1(C(=O)OC)CCC1 ZINC000596092557 399171179 /nfs/dbraw/zinc/17/11/79/399171179.db2.gz BLSNMTWCNAGAFK-IRXDYDNUSA-N 1 3 322.493 2.820 20 0 DFADHO C[C@@H](CC(=O)OC(C)(C)C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596096639 399171951 /nfs/dbraw/zinc/17/19/51/399171951.db2.gz WCCFJGSUEMBKOG-HOCLYGCPSA-N 1 3 310.482 2.818 20 0 DFADHO C[C@@H](CC(=O)OC(C)(C)C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096639 399171956 /nfs/dbraw/zinc/17/19/56/399171956.db2.gz WCCFJGSUEMBKOG-HOCLYGCPSA-N 1 3 310.482 2.818 20 0 DFADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000596096639 399171963 /nfs/dbraw/zinc/17/19/63/399171963.db2.gz WCCFJGSUEMBKOG-HOCLYGCPSA-N 1 3 310.482 2.818 20 0 DFADHO C[C@@H](CN(C)CCOCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420368448 296181429 /nfs/dbraw/zinc/18/14/29/296181429.db2.gz WXKIAIOCPGARRJ-NSHDSACASA-N 1 3 321.248 2.668 20 0 DFADHO CC(C)(C)CC(C)(C)[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000342063992 284319756 /nfs/dbraw/zinc/31/97/56/284319756.db2.gz YDKUOHVDBOPHIM-UHFFFAOYSA-N 1 3 309.498 2.534 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOC3CCCCCC3)CC2)C1 ZINC000420384762 296184066 /nfs/dbraw/zinc/18/40/66/296184066.db2.gz GTORBBFFKCETRK-IEBWSBKVSA-N 1 3 324.509 2.944 20 0 DFADHO C[C@@H]1CCN(CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000420395231 296185759 /nfs/dbraw/zinc/18/57/59/296185759.db2.gz DEUWYVKTZMLAOZ-CHWSQXEVSA-N 1 3 309.841 2.585 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000282765147 217234755 /nfs/dbraw/zinc/23/47/55/217234755.db2.gz ZWEAGBKJFCHGRJ-GSEOLPGOSA-N 1 3 324.472 2.772 20 0 DFADHO Cc1ccc(CN(C)C[C@H]2CC[N@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282764861 217234788 /nfs/dbraw/zinc/23/47/88/217234788.db2.gz ITKJHGSEYVIIPZ-INIZCTEOSA-N 1 3 312.461 2.779 20 0 DFADHO Cc1ccc(CN(C)C[C@H]2CC[N@@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282764861 217234789 /nfs/dbraw/zinc/23/47/89/217234789.db2.gz ITKJHGSEYVIIPZ-INIZCTEOSA-N 1 3 312.461 2.779 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000282765149 217235158 /nfs/dbraw/zinc/23/51/58/217235158.db2.gz ZWEAGBKJFCHGRJ-RSPOEFSDSA-N 1 3 324.472 2.772 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000282758642 217229693 /nfs/dbraw/zinc/22/96/93/217229693.db2.gz BIIIHQYFMQYDJA-IHPCNDPISA-N 1 3 315.505 2.796 20 0 DFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)CCn1cccn1 ZINC000081013318 399202872 /nfs/dbraw/zinc/20/28/72/399202872.db2.gz YOIQEIBEUQBFBW-HKUYNNGSSA-N 1 3 312.461 2.726 20 0 DFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)CCn1cccn1 ZINC000081013318 399202876 /nfs/dbraw/zinc/20/28/76/399202876.db2.gz YOIQEIBEUQBFBW-HKUYNNGSSA-N 1 3 312.461 2.726 20 0 DFADHO O[C@H]1C[C@@H](CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000420945213 296216081 /nfs/dbraw/zinc/21/60/81/296216081.db2.gz YQKNZYMJJLGZTK-HAGHYFMRSA-N 1 3 314.473 2.744 20 0 DFADHO O[C@H]1C[C@@H](CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000420945213 296216083 /nfs/dbraw/zinc/21/60/83/296216083.db2.gz YQKNZYMJJLGZTK-HAGHYFMRSA-N 1 3 314.473 2.744 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000101659312 193832276 /nfs/dbraw/zinc/83/22/76/193832276.db2.gz ONFQYKNDOMRXAA-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000618989178 399272902 /nfs/dbraw/zinc/27/29/02/399272902.db2.gz KLZZKWGEJDZNKN-INIZCTEOSA-N 1 3 317.477 2.598 20 0 DFADHO CCc1oc(CNC2CCC([NH+](C)C)CC2)cc1C(=O)OC ZINC000421366622 296248853 /nfs/dbraw/zinc/24/88/53/296248853.db2.gz CUXMKEUXOUVPKA-UHFFFAOYSA-N 1 3 308.422 2.591 20 0 DFADHO Cc1ccccc1-n1cc(CNC2CCC([NH+](C)C)CC2)nn1 ZINC000421371656 296249705 /nfs/dbraw/zinc/24/97/05/296249705.db2.gz KBHXPXCKEWHVTG-UHFFFAOYSA-N 1 3 313.449 2.538 20 0 DFADHO C[NH+]1CCC(C)(CNCc2ccncc2Br)CC1 ZINC000623051849 399319692 /nfs/dbraw/zinc/31/96/92/399319692.db2.gz YTHIZZCTVMNMRE-UHFFFAOYSA-N 1 3 312.255 2.666 20 0 DFADHO CC[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000104346012 194000117 /nfs/dbraw/zinc/00/01/17/194000117.db2.gz HWEXZIBCZPJXIY-INIZCTEOSA-N 1 3 323.525 2.734 20 0 DFADHO COc1cc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC000623341686 399366598 /nfs/dbraw/zinc/36/65/98/399366598.db2.gz NPZMJUWJJZOYPJ-AWEZNQCLSA-N 1 3 322.449 2.675 20 0 DFADHO COCCOc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623356782 399371351 /nfs/dbraw/zinc/37/13/51/399371351.db2.gz HAYNIDUGJZIDDL-INIZCTEOSA-N 1 3 306.450 2.674 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H](N)Cc2ccccc2)[C@H]1C ZINC000602024056 399386508 /nfs/dbraw/zinc/38/65/08/399386508.db2.gz ZOXRSODMAORCMU-DKIMLUQUSA-N 1 3 318.461 2.514 20 0 DFADHO CC(C)[C@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)N(C)C ZINC000109627288 194279228 /nfs/dbraw/zinc/27/92/28/194279228.db2.gz APAZRCAEGXDICS-NVXWUHKLSA-N 1 3 319.493 2.818 20 0 DFADHO CC(C)[C@@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)N(C)C ZINC000109627284 194279276 /nfs/dbraw/zinc/27/92/76/194279276.db2.gz APAZRCAEGXDICS-WBVHZDCISA-N 1 3 319.493 2.818 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cncs1 ZINC000268842166 207008090 /nfs/dbraw/zinc/00/80/90/207008090.db2.gz CYOJZDRBMUFDSL-CQSZACIVSA-N 1 3 319.474 2.977 20 0 DFADHO C[C@@H]1C[C@H](C)N(Cc2cc(-n3ccnc3)cs2)C[C@H]1C[NH3+] ZINC000422562481 296313022 /nfs/dbraw/zinc/31/30/22/296313022.db2.gz QLAICCJLMLRNBH-HZSPNIEDSA-N 1 3 304.463 2.739 20 0 DFADHO COc1ccc([C@H](CCO)[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623476854 399397449 /nfs/dbraw/zinc/39/74/49/399397449.db2.gz RHXNACRXLSQCCZ-WBVHZDCISA-N 1 3 306.450 2.581 20 0 DFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)/C=C\CN(C)C ZINC000492146741 299523733 /nfs/dbraw/zinc/52/37/33/299523733.db2.gz VITYVFNYVRMAPV-YFHOEESVSA-N 1 3 323.506 2.536 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1ccn(-c2ccccc2)n1 ZINC000268887909 207057302 /nfs/dbraw/zinc/05/73/02/207057302.db2.gz XOEAYZZJSPTGQH-GPMSIDNRSA-N 1 3 312.461 2.733 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1ccn(-c2ccccc2)n1 ZINC000268887909 207057305 /nfs/dbraw/zinc/05/73/05/207057305.db2.gz XOEAYZZJSPTGQH-GPMSIDNRSA-N 1 3 312.461 2.733 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422640028 296317319 /nfs/dbraw/zinc/31/73/19/296317319.db2.gz UNYNRRNFOUTDJM-IPYPFGDCSA-N 1 3 321.440 2.768 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000422640028 296317320 /nfs/dbraw/zinc/31/73/20/296317320.db2.gz UNYNRRNFOUTDJM-IPYPFGDCSA-N 1 3 321.440 2.768 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000422640028 296317322 /nfs/dbraw/zinc/31/73/22/296317322.db2.gz UNYNRRNFOUTDJM-IPYPFGDCSA-N 1 3 321.440 2.768 20 0 DFADHO C[C@@H](NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422703002 296318455 /nfs/dbraw/zinc/31/84/55/296318455.db2.gz MBKUKWORVDMOFE-APWZRJJASA-N 1 3 315.505 2.944 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCCCN1 ZINC000422703002 296318456 /nfs/dbraw/zinc/31/84/56/296318456.db2.gz MBKUKWORVDMOFE-APWZRJJASA-N 1 3 315.505 2.944 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422700493 296318471 /nfs/dbraw/zinc/31/84/71/296318471.db2.gz CAVIFFBWVHRCNF-DNVCBOLYSA-N 1 3 319.468 2.768 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1ccccc1OC1CCCC1 ZINC000422691727 296317911 /nfs/dbraw/zinc/31/79/11/296317911.db2.gz IVQOQRWKKNICOI-INIZCTEOSA-N 1 3 306.450 2.852 20 0 DFADHO Fc1ccc(Br)cc1CCN[C@@H]1CCC[NH2+]CC1 ZINC000422700981 296318482 /nfs/dbraw/zinc/31/84/82/296318482.db2.gz HSNUMKUVCYCRQM-CYBMUJFWSA-N 1 3 315.230 2.862 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCCc1cc(Br)ccc1F ZINC000422703873 296319051 /nfs/dbraw/zinc/31/90/51/296319051.db2.gz OBEXNRJEILCRIG-ZJUUUORDSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1cc(Br)ccc1F ZINC000422703873 296319052 /nfs/dbraw/zinc/31/90/52/296319052.db2.gz OBEXNRJEILCRIG-ZJUUUORDSA-N 1 3 303.219 2.846 20 0 DFADHO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268921905 207090215 /nfs/dbraw/zinc/09/02/15/207090215.db2.gz WVSYAZHJONBJFY-MAUKXSAKSA-N 1 3 308.466 2.829 20 0 DFADHO COc1ccc(CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000422700209 296318521 /nfs/dbraw/zinc/31/85/21/296318521.db2.gz BSLQZZXRWKGEOQ-XYPWUTKMSA-N 1 3 304.434 2.509 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1(C)C ZINC000623507237 399403979 /nfs/dbraw/zinc/40/39/79/399403979.db2.gz ADLAYMVASXZOBR-YQVWRLOYSA-N 1 3 320.452 2.754 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1(C)C ZINC000623507237 399403982 /nfs/dbraw/zinc/40/39/82/399403982.db2.gz ADLAYMVASXZOBR-YQVWRLOYSA-N 1 3 320.452 2.754 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000422708392 296319361 /nfs/dbraw/zinc/31/93/61/296319361.db2.gz BYGHLSFKSXDERP-QZTJIDSGSA-N 1 3 315.461 2.559 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422713561 296320073 /nfs/dbraw/zinc/32/00/73/296320073.db2.gz PXCJFDQKCHEKIG-OKZBNKHCSA-N 1 3 320.452 2.850 20 0 DFADHO COc1ccc(CCC[NH2+][C@@H]2CCNCC[C@@H]2C)cc1OC ZINC000422717865 296320918 /nfs/dbraw/zinc/32/09/18/296320918.db2.gz KSVXMNHYQDGOEZ-GOEBONIOSA-N 1 3 306.450 2.614 20 0 DFADHO CC[C@H](NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422724322 296321730 /nfs/dbraw/zinc/32/17/30/296321730.db2.gz VIHOXBZMMABANP-OALUTQOASA-N 1 3 319.468 2.910 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422721052 296321215 /nfs/dbraw/zinc/32/12/15/296321215.db2.gz NHQUZFJFZSQZDH-KDOFPFPSSA-N 1 3 323.431 2.646 20 0 DFADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422725313 296322078 /nfs/dbraw/zinc/32/20/78/296322078.db2.gz XWWYRGQZPGCXKS-CHWSQXEVSA-N 1 3 311.420 2.645 20 0 DFADHO C[C@@H](NC[C@H]1CCCN1Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422734370 296323427 /nfs/dbraw/zinc/32/34/27/296323427.db2.gz CQNYNUHPGGPHCA-BHIYHBOVSA-N 1 3 301.478 2.771 20 0 DFADHO c1csc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)c1 ZINC000422733014 296323462 /nfs/dbraw/zinc/32/34/62/296323462.db2.gz PZTDZVXXOXBQDS-QXULXFAOSA-N 1 3 305.491 2.758 20 0 DFADHO COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000623656809 399436825 /nfs/dbraw/zinc/43/68/25/399436825.db2.gz CGCQNHDIFSNSQV-SJLPKXTDSA-N 1 3 320.477 2.922 20 0 DFADHO COC(=O)c1[nH]c(CNCCCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC000602513762 399465877 /nfs/dbraw/zinc/46/58/77/399465877.db2.gz CPLLFUAPDISHEQ-OAHLLOKOSA-N 1 3 321.465 2.854 20 0 DFADHO COC(=O)c1[nH]c(CNCCCC[N@H+]2CCCC[C@H]2C)cc1C ZINC000602513762 399465879 /nfs/dbraw/zinc/46/58/79/399465879.db2.gz CPLLFUAPDISHEQ-OAHLLOKOSA-N 1 3 321.465 2.854 20 0 DFADHO C[C@H](NC[C@H](c1cccs1)N1CCC(C)CC1)C1C[NH2+]C1 ZINC000422739879 296324395 /nfs/dbraw/zinc/32/43/95/296324395.db2.gz AOKYCPSOVJZCSB-GOEBONIOSA-N 1 3 307.507 2.719 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](c1cccs1)N1CCCC1 ZINC000422735330 296323651 /nfs/dbraw/zinc/32/36/51/296323651.db2.gz VZCJEZSZMRZQDM-JYJNAYRXSA-N 1 3 307.507 2.992 20 0 DFADHO C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H](C)C1CNC1 ZINC000422739527 296323942 /nfs/dbraw/zinc/32/39/42/296323942.db2.gz LQSLUGSIGNJKPT-NEPJUHHUSA-N 1 3 311.267 2.968 20 0 DFADHO C[C@H](CCc1ccc(Br)cc1)N[C@@H](C)C1C[NH2+]C1 ZINC000422739527 296323943 /nfs/dbraw/zinc/32/39/43/296323943.db2.gz LQSLUGSIGNJKPT-NEPJUHHUSA-N 1 3 311.267 2.968 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1ccccc1)N1CCCC1 ZINC000422737262 296324214 /nfs/dbraw/zinc/32/42/14/296324214.db2.gz ZKLJERWRYCLRSO-NZSAHSFTSA-N 1 3 301.478 2.801 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422740771 296324346 /nfs/dbraw/zinc/32/43/46/296324346.db2.gz NEAVPSSHOBPAGI-QFHJOOASSA-N 1 3 301.478 2.942 20 0 DFADHO CC1CCN([C@H](CN[C@@H]2CCC[C@@H]2[NH3+])c2cccs2)CC1 ZINC000422743370 296325002 /nfs/dbraw/zinc/32/50/02/296325002.db2.gz IJOFUHQWEGIMJH-ARFHVFGLSA-N 1 3 307.507 2.991 20 0 DFADHO CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H]2N)c2cccs2)CC1 ZINC000422743370 296325004 /nfs/dbraw/zinc/32/50/04/296325004.db2.gz IJOFUHQWEGIMJH-ARFHVFGLSA-N 1 3 307.507 2.991 20 0 DFADHO CC[C@H](N[C@@H]1CCC[C@@H](C(=O)NC(C)C)C1)[C@H]1CCCC[NH2+]1 ZINC000422748545 296325661 /nfs/dbraw/zinc/32/56/61/296325661.db2.gz UZSXZBMXHNAOCJ-WCXIOVBPSA-N 1 3 309.498 2.580 20 0 DFADHO c1cc2c(s1)CCN(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422744846 296325386 /nfs/dbraw/zinc/32/53/86/296325386.db2.gz WRYKPXXAZVSNRH-BBWFWOEESA-N 1 3 319.518 2.617 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422751963 296326614 /nfs/dbraw/zinc/32/66/14/296326614.db2.gz DJUYKKUMJZPZRA-CRAIPNDOSA-N 1 3 320.452 2.852 20 0 DFADHO Cc1nc2ccccc2n1CCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422756035 296327261 /nfs/dbraw/zinc/32/72/61/296327261.db2.gz KZBGADYVDGGGMV-ZBFHGGJFSA-N 1 3 300.450 2.855 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCN(C)Cc1ccccc1 ZINC000422759291 296328048 /nfs/dbraw/zinc/32/80/48/296328048.db2.gz LBDCOSFQLFFQBU-PXNSSMCTSA-N 1 3 311.473 2.667 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCN(C)Cc1ccccc1 ZINC000422759291 296328050 /nfs/dbraw/zinc/32/80/50/296328050.db2.gz LBDCOSFQLFFQBU-PXNSSMCTSA-N 1 3 311.473 2.667 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](CO)Cc1ccccc1 ZINC000422757074 296327633 /nfs/dbraw/zinc/32/76/33/296327633.db2.gz JIFAPZLNHPQODS-NEWSRXKRSA-N 1 3 304.478 2.738 20 0 DFADHO Cc1ccc([C@H](C)CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422762258 296328723 /nfs/dbraw/zinc/32/87/23/296328723.db2.gz MKJOJEYAQNAWLJ-QXCFHYIPSA-N 1 3 302.462 2.845 20 0 DFADHO COc1ccc([C@H](CN[C@@H](C)C[C@H](C)[NH3+])N2CCCCC2)cc1 ZINC000422769175 296330053 /nfs/dbraw/zinc/33/00/53/296330053.db2.gz UTEZNCGNAQIHTL-BXWFABGCSA-N 1 3 319.493 2.938 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000422770070 296330218 /nfs/dbraw/zinc/33/02/18/296330218.db2.gz WIQKQDUPXPFREY-WFASDCNBSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1ccc(Br)cc1 ZINC000422770070 296330219 /nfs/dbraw/zinc/33/02/19/296330219.db2.gz WIQKQDUPXPFREY-WFASDCNBSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422773606 296330584 /nfs/dbraw/zinc/33/05/84/296330584.db2.gz YYACKFUIQQOUPE-QXCFHYIPSA-N 1 3 313.489 2.948 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000422772417 296330631 /nfs/dbraw/zinc/33/06/31/296330631.db2.gz YIMYQWVJBGLGSC-APWZRJJASA-N 1 3 324.472 2.774 20 0 DFADHO C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)COCC1CCOCC1 ZINC000422791256 296333206 /nfs/dbraw/zinc/33/32/06/296333206.db2.gz VVFBIWYOBIIEQB-OTWHNJEPSA-N 1 3 324.509 2.720 20 0 DFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422787858 296332842 /nfs/dbraw/zinc/33/28/42/296332842.db2.gz AGUCPEFRWKQYMV-DGCUDZEOSA-N 1 3 324.415 2.815 20 0 DFADHO CN(C)C1(C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)CCCC1 ZINC000422791820 296333612 /nfs/dbraw/zinc/33/36/12/296333612.db2.gz VGKLCVATVKCALZ-ROUUACIJSA-N 1 3 301.478 2.944 20 0 DFADHO CCN(CC)[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000422793500 296334022 /nfs/dbraw/zinc/33/40/22/296334022.db2.gz FPROJBNYBBIKQR-RVKKMQEKSA-N 1 3 307.482 2.794 20 0 DFADHO CCN(CC)[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000422797438 296334905 /nfs/dbraw/zinc/33/49/05/296334905.db2.gz MNDCWTLCRJXIHQ-VDZJLULYSA-N 1 3 319.493 2.666 20 0 DFADHO CC[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422801469 296335406 /nfs/dbraw/zinc/33/54/06/296335406.db2.gz BZKJSABIYSSHRS-MNEFBYGVSA-N 1 3 301.478 2.553 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000422805785 296336364 /nfs/dbraw/zinc/33/63/64/296336364.db2.gz JOABGHQIIZPPIG-MJGOQNOKSA-N 1 3 301.478 2.542 20 0 DFADHO COc1ccc([C@@H](NCCN2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422809975 296337176 /nfs/dbraw/zinc/33/71/76/296337176.db2.gz MVYFKFQJRKJEOM-RTBURBONSA-N 1 3 317.477 2.564 20 0 DFADHO CN(C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422811096 296337188 /nfs/dbraw/zinc/33/71/88/296337188.db2.gz TZLNCYDFXTYYJU-IPMKNSEASA-N 1 3 301.478 2.759 20 0 DFADHO CN(C)c1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c2ccccc2n1 ZINC000422806474 296336548 /nfs/dbraw/zinc/33/65/48/296336548.db2.gz KXXUEJFGRACZAV-RHSMWYFYSA-N 1 3 312.461 2.908 20 0 DFADHO CN(C)c1cc(C[NH2+][C@@H]2CCCC[C@@H]2CN)c2ccccc2n1 ZINC000422806474 296336550 /nfs/dbraw/zinc/33/65/50/296336550.db2.gz KXXUEJFGRACZAV-RHSMWYFYSA-N 1 3 312.461 2.908 20 0 DFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1CCc2ccccc21 ZINC000422806559 296336603 /nfs/dbraw/zinc/33/66/03/296336603.db2.gz NPXJJGFSMNPJNO-XLIONFOSSA-N 1 3 323.484 2.987 20 0 DFADHO CC[C@H]([NH2+]CCN1CCc2ccccc2C1)[C@H]1CCCCN1 ZINC000422812649 296337752 /nfs/dbraw/zinc/33/77/52/296337752.db2.gz YCLYXYHYFHNDPD-RBUKOAKNSA-N 1 3 301.478 2.555 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422814513 296338051 /nfs/dbraw/zinc/33/80/51/296338051.db2.gz VFZBGHGTTVAEEM-VVLHAWIVSA-N 1 3 319.493 2.511 20 0 DFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1CCCSC1 ZINC000422815242 296338176 /nfs/dbraw/zinc/33/81/76/296338176.db2.gz BAZJVRSEWRAAMI-UKPHBRMFSA-N 1 3 304.459 2.728 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCN1CCc2ccccc21 ZINC000422812037 296337502 /nfs/dbraw/zinc/33/75/02/296337502.db2.gz WYOWMXLUPMVGRP-OAHLLOKOSA-N 1 3 324.472 2.952 20 0 DFADHO CN(CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422820161 296338972 /nfs/dbraw/zinc/33/89/72/296338972.db2.gz PFMMJFHKKDCCBV-GUDVDZBRSA-N 1 3 319.468 2.768 20 0 DFADHO c1cnn(-c2ccc(CCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)c1 ZINC000422819204 296339074 /nfs/dbraw/zinc/33/90/74/296339074.db2.gz HPXGGGUUBVRDKG-VAMGGRTRSA-N 1 3 324.472 2.925 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422820212 296339153 /nfs/dbraw/zinc/33/91/53/296339153.db2.gz PLUBDIPFEHGQOV-ROUUACIJSA-N 1 3 312.461 2.581 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCc1nccn1Cc1ccccc1 ZINC000422820212 296339155 /nfs/dbraw/zinc/33/91/55/296339155.db2.gz PLUBDIPFEHGQOV-ROUUACIJSA-N 1 3 312.461 2.581 20 0 DFADHO CC[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCN1 ZINC000422820751 296339229 /nfs/dbraw/zinc/33/92/29/296339229.db2.gz SCVXRVTYISSXLW-GJZGRUSLSA-N 1 3 321.431 2.771 20 0 DFADHO C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC000631846252 399507639 /nfs/dbraw/zinc/50/76/39/399507639.db2.gz WXXPFNYYUGVBSM-LIRRHRJNSA-N 1 3 321.428 2.898 20 0 DFADHO C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC000631846252 399507642 /nfs/dbraw/zinc/50/76/42/399507642.db2.gz WXXPFNYYUGVBSM-LIRRHRJNSA-N 1 3 321.428 2.898 20 0 DFADHO c1ccc(NCCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000422831320 296340954 /nfs/dbraw/zinc/34/09/54/296340954.db2.gz DRFUFRYHCIYQDG-BRWVUGGUSA-N 1 3 302.466 2.784 20 0 DFADHO c1ccc(NCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)nc1 ZINC000422831320 296340955 /nfs/dbraw/zinc/34/09/55/296340955.db2.gz DRFUFRYHCIYQDG-BRWVUGGUSA-N 1 3 302.466 2.784 20 0 DFADHO CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC000631846263 399508101 /nfs/dbraw/zinc/50/81/01/399508101.db2.gz XDALDECUCXIOJU-JKSUJKDBSA-N 1 3 319.840 2.788 20 0 DFADHO CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC000631846263 399508107 /nfs/dbraw/zinc/50/81/07/399508107.db2.gz XDALDECUCXIOJU-JKSUJKDBSA-N 1 3 319.840 2.788 20 0 DFADHO CCO[C@H](CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000422833489 296341355 /nfs/dbraw/zinc/34/13/55/296341355.db2.gz YUGCBFAMNOVVHZ-WJFTUGDTSA-N 1 3 324.509 2.719 20 0 DFADHO C[C@H](NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834954 296341668 /nfs/dbraw/zinc/34/16/68/296341668.db2.gz HZWQVDBPUJQBGD-ZOBUZTSGSA-N 1 3 307.507 2.690 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422834614 296341823 /nfs/dbraw/zinc/34/18/23/296341823.db2.gz ZVUJSDLXXACFJK-GOEBONIOSA-N 1 3 318.461 2.713 20 0 DFADHO CCN(CC)[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000422836469 296342142 /nfs/dbraw/zinc/34/21/42/296342142.db2.gz RFHRPANSTWBTTD-QRQLOZEOSA-N 1 3 303.494 2.527 20 0 DFADHO O=C(CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCCCCC1 ZINC000422844084 296343478 /nfs/dbraw/zinc/34/34/78/296343478.db2.gz KTSCAZVWUWIDCB-RCCFBDPRSA-N 1 3 321.509 2.680 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422841417 296342671 /nfs/dbraw/zinc/34/26/71/296342671.db2.gz CYNDZILFAMIEIM-JQFCIGGWSA-N 1 3 306.425 2.589 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2ccc(F)cc2)CCC1 ZINC000422841417 296342672 /nfs/dbraw/zinc/34/26/72/296342672.db2.gz CYNDZILFAMIEIM-JQFCIGGWSA-N 1 3 306.425 2.589 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](C)Oc1ccccc1Br ZINC000422842875 296343069 /nfs/dbraw/zinc/34/30/69/296343069.db2.gz ZJWMGVZLZHCZPM-QJPTWQEYSA-N 1 3 315.255 2.932 20 0 DFADHO Cc1cc(C)n(-c2ccc(CCN[C@H]3CCC[NH2+]CC3)cc2)n1 ZINC000422856551 296345707 /nfs/dbraw/zinc/34/57/07/296345707.db2.gz GGVSXUWXZOFMDH-SFHVURJKSA-N 1 3 312.461 2.763 20 0 DFADHO Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CCCNCC3)cc2)n1 ZINC000422856551 296345708 /nfs/dbraw/zinc/34/57/08/296345708.db2.gz GGVSXUWXZOFMDH-SFHVURJKSA-N 1 3 312.461 2.763 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCNCC[C@H]2C)cc1OC ZINC000422864772 296346871 /nfs/dbraw/zinc/34/68/71/296346871.db2.gz VZHCHQHSXUYIBN-GDBMZVCRSA-N 1 3 320.477 2.959 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000422865551 296347067 /nfs/dbraw/zinc/34/70/67/296347067.db2.gz YMNFWCDNVMJKJL-KVSKMBFKSA-N 1 3 301.478 2.551 20 0 DFADHO CC[C@@H](NC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422857570 296345890 /nfs/dbraw/zinc/34/58/90/296345890.db2.gz HABGCKDOKUCCNT-KGLIPLIRSA-N 1 3 307.404 2.523 20 0 DFADHO C[C@@H]1CCCN(CC[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)C1 ZINC000422860044 296346148 /nfs/dbraw/zinc/34/61/48/296346148.db2.gz KYPYJLGANPPQPC-NZSAHSFTSA-N 1 3 301.478 2.801 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000422859641 296346169 /nfs/dbraw/zinc/34/61/69/296346169.db2.gz KOCYLIPBYKPGCT-QWHCGFSZSA-N 1 3 309.841 2.565 20 0 DFADHO FC(F)(F)CN1CCC(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422859356 296346291 /nfs/dbraw/zinc/34/62/91/296346291.db2.gz JZQUKPYBTBJOPN-SOUVJXGZSA-N 1 3 319.415 2.523 20 0 DFADHO CN(CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000422867693 296347497 /nfs/dbraw/zinc/34/74/97/296347497.db2.gz SZACFWNZVFVLAU-QLFBSQMISA-N 1 3 321.431 2.771 20 0 DFADHO CN(CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)CC(F)(F)F ZINC000422867693 296347499 /nfs/dbraw/zinc/34/74/99/296347499.db2.gz SZACFWNZVFVLAU-QLFBSQMISA-N 1 3 321.431 2.771 20 0 DFADHO Cc1ccccc1C1(CN[C@H]2C[NH2+]CC[C@H]2C)CCOCC1 ZINC000422883637 296350165 /nfs/dbraw/zinc/35/01/65/296350165.db2.gz VIHPRDIBUKXLCB-AEFFLSMTSA-N 1 3 302.462 2.631 20 0 DFADHO CCOc1ccc(C2(CN[C@H]3CCC[C@@H]3[NH3+])CCOCC2)cc1 ZINC000422885964 296350626 /nfs/dbraw/zinc/35/06/26/296350626.db2.gz ZTHOIDQMHBJWJP-ROUUACIJSA-N 1 3 318.461 2.603 20 0 DFADHO COc1cccc(N2CC[C@H](CN[C@@H](C)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422899818 296352817 /nfs/dbraw/zinc/35/28/17/296352817.db2.gz IGZQBYHTSXWDIU-FRQCXROJSA-N 1 3 317.477 2.642 20 0 DFADHO COc1ccc(C)cc1C1(CN[C@@H]2CCC[C@@H]2[NH3+])CCOCC1 ZINC000422902141 296353323 /nfs/dbraw/zinc/35/33/23/296353323.db2.gz TVBWSHZWDXKGNA-DLBZAZTESA-N 1 3 318.461 2.521 20 0 DFADHO COc1ccc(OCCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422894744 296351865 /nfs/dbraw/zinc/35/18/65/296351865.db2.gz DCWJBMGMLUENIB-GUDVDZBRSA-N 1 3 318.461 2.974 20 0 DFADHO Cc1nc(CCN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])sc1C ZINC000422895059 296352271 /nfs/dbraw/zinc/35/22/71/296352271.db2.gz VDJXQVNOLCLLBT-MLGOLLRUSA-N 1 3 303.475 2.851 20 0 DFADHO Cc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422898593 296352476 /nfs/dbraw/zinc/35/24/76/296352476.db2.gz FPXGGJDOGXKWIA-BHIYHBOVSA-N 1 3 314.473 2.773 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903267 296353863 /nfs/dbraw/zinc/35/38/63/296353863.db2.gz FHHWGINRXFXTSJ-IYOUNJFTSA-N 1 3 323.431 2.646 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903267 296353864 /nfs/dbraw/zinc/35/38/64/296353864.db2.gz FHHWGINRXFXTSJ-IYOUNJFTSA-N 1 3 323.431 2.646 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422906547 296354218 /nfs/dbraw/zinc/35/42/18/296354218.db2.gz KFEIXVUJDROQTH-OBJOEFQTSA-N 1 3 311.857 2.643 20 0 DFADHO Fc1cccc(CCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422910456 296354671 /nfs/dbraw/zinc/35/46/71/296354671.db2.gz QNQLUQJTYPTWGA-FGTMMUONSA-N 1 3 306.425 2.505 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1C(C)C ZINC000422921707 296355575 /nfs/dbraw/zinc/35/55/75/296355575.db2.gz QQAVYJDDSZPWBT-YEWWUXTCSA-N 1 3 305.466 2.951 20 0 DFADHO Cc1ccoc1C(=O)NCCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422922331 296355813 /nfs/dbraw/zinc/35/58/13/296355813.db2.gz PZKLCHGMLDTOKP-CVEARBPZSA-N 1 3 321.465 2.608 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1nc2ccccc2n1C(F)F ZINC000422912603 296354968 /nfs/dbraw/zinc/35/49/68/296354968.db2.gz NNSXQYHMOQYGKV-CHWSQXEVSA-N 1 3 322.403 2.952 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422929135 296356608 /nfs/dbraw/zinc/35/66/08/296356608.db2.gz OIXDXBFPLLCSLL-QWHCGFSZSA-N 1 3 302.340 2.845 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1ccccc1OC(F)(F)F ZINC000422929135 296356609 /nfs/dbraw/zinc/35/66/09/296356609.db2.gz OIXDXBFPLLCSLL-QWHCGFSZSA-N 1 3 302.340 2.845 20 0 DFADHO C[C@H](CCCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000422927433 296356640 /nfs/dbraw/zinc/35/66/40/296356640.db2.gz YUPUXVWKTTUXNU-IUODEOHRSA-N 1 3 309.841 2.552 20 0 DFADHO FC(F)(F)COCCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422931088 296356720 /nfs/dbraw/zinc/35/67/20/296356720.db2.gz WXZPDLDRMUSRPT-KBPBESRZSA-N 1 3 302.340 2.648 20 0 DFADHO CC[C@H](NCCCc1ccc2c(c1)OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000422929639 296356788 /nfs/dbraw/zinc/35/67/88/296356788.db2.gz QVQSGHSTBPSQBE-IRXDYDNUSA-N 1 3 318.461 2.901 20 0 DFADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000422929432 296356917 /nfs/dbraw/zinc/35/69/17/296356917.db2.gz PZQSOGHLLKYNNQ-GJZGRUSLSA-N 1 3 324.852 2.903 20 0 DFADHO CSC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CCOCC1 ZINC000422923647 296356192 /nfs/dbraw/zinc/35/61/92/296356192.db2.gz SHOUVUMRQWAFHU-ARFHVFGLSA-N 1 3 312.523 2.799 20 0 DFADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000422929431 296356421 /nfs/dbraw/zinc/35/64/21/296356421.db2.gz PZQSOGHLLKYNNQ-CABCVRRESA-N 1 3 324.852 2.903 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCc1nc(C(C)C)no1 ZINC000422941889 296358551 /nfs/dbraw/zinc/35/85/51/296358551.db2.gz VYEVJHJQXZQQLN-GFCCVEGCSA-N 1 3 317.437 2.639 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1ccc(OC2CCCC2)cc1 ZINC000422935862 296357587 /nfs/dbraw/zinc/35/75/87/296357587.db2.gz AWPHXMDRCGTGLL-INIZCTEOSA-N 1 3 306.450 2.852 20 0 DFADHO CC(C)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422947734 296359229 /nfs/dbraw/zinc/35/92/29/296359229.db2.gz YSJOBVSAFFPOLF-AHRSYUTCSA-N 1 3 315.505 2.799 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000422956239 296360784 /nfs/dbraw/zinc/36/07/84/296360784.db2.gz OVHVXRLDYBLMSP-NVXWUHKLSA-N 1 3 313.445 2.981 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCCOc1cccc2cccnc21 ZINC000422956239 296360785 /nfs/dbraw/zinc/36/07/85/296360785.db2.gz OVHVXRLDYBLMSP-NVXWUHKLSA-N 1 3 313.445 2.981 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOc1ccccc1C(F)(F)F ZINC000422958078 296361028 /nfs/dbraw/zinc/36/10/28/296361028.db2.gz OLTBFTNVIIHZJQ-WCQYABFASA-N 1 3 302.340 2.801 20 0 DFADHO C[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCCCO1 ZINC000624006410 399520872 /nfs/dbraw/zinc/52/08/72/399520872.db2.gz VZPWPCGMMDSHHA-YSHGAJCASA-N 1 3 302.462 2.879 20 0 DFADHO C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCCCO1 ZINC000624006410 399520875 /nfs/dbraw/zinc/52/08/75/399520875.db2.gz VZPWPCGMMDSHHA-YSHGAJCASA-N 1 3 302.462 2.879 20 0 DFADHO CC[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@@H]1CCCCN1 ZINC000422952891 296360211 /nfs/dbraw/zinc/36/02/11/296360211.db2.gz CNYPHQKGJCTLGH-HOTGVXAUSA-N 1 3 323.868 2.580 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(COC2CCOCC2)cc1 ZINC000422960076 296361361 /nfs/dbraw/zinc/36/13/61/296361361.db2.gz AQCARWWQMARYFI-GJZGRUSLSA-N 1 3 306.450 2.598 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(COC2CCOCC2)cc1 ZINC000422960077 296361366 /nfs/dbraw/zinc/36/13/66/296361366.db2.gz AQCARWWQMARYFI-HUUCEWRRSA-N 1 3 306.450 2.598 20 0 DFADHO CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3CN)cc2)n1 ZINC000422957641 296361133 /nfs/dbraw/zinc/36/11/33/296361133.db2.gz NUEWRUZPQCCKGL-JKSUJKDBSA-N 1 3 314.433 2.559 20 0 DFADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCCc3occc32)CC[NH2+]CC1 ZINC000422969060 296362790 /nfs/dbraw/zinc/36/27/90/296362790.db2.gz YOGSYLSQOJKSLQ-DZGCQCFKSA-N 1 3 320.433 2.568 20 0 DFADHO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)[C@H]1CCCCN1 ZINC000422970729 296362970 /nfs/dbraw/zinc/36/29/70/296362970.db2.gz WTTRWQPFFIZOHE-JTDSTZFVSA-N 1 3 316.493 2.727 20 0 DFADHO C[C@@H](NC1CCN([C@@H](C)c2ccncc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422970729 296362971 /nfs/dbraw/zinc/36/29/71/296362971.db2.gz WTTRWQPFFIZOHE-JTDSTZFVSA-N 1 3 316.493 2.727 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(NCCOC)cc1)[C@H]1CCCCN1 ZINC000422971295 296363170 /nfs/dbraw/zinc/36/31/70/296363170.db2.gz YBVZWPFALNWTCE-ZWKOTPCHSA-N 1 3 305.466 2.755 20 0 DFADHO CSc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)ccn1 ZINC000422986811 296364199 /nfs/dbraw/zinc/36/41/99/296364199.db2.gz HKMBQBWJYDFTMP-XJKSGUPXSA-N 1 3 301.459 2.852 20 0 DFADHO c1ccc(CO[C@H]2CCC[C@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422987351 296364403 /nfs/dbraw/zinc/36/44/03/296364403.db2.gz GAMMUHHDMSIUKR-VEHMJYNQSA-N 1 3 300.446 2.997 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000422976443 296363380 /nfs/dbraw/zinc/36/33/80/296363380.db2.gz DEZFZBLVNUNEOB-QWRGUYRKSA-N 1 3 308.813 2.648 20 0 DFADHO C[C@H](CCCC[NH3+])Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422980325 296363770 /nfs/dbraw/zinc/36/37/70/296363770.db2.gz LMXMKXXHMJRVTB-MRXNPFEDSA-N 1 3 319.493 2.820 20 0 DFADHO CC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1CCCCN1 ZINC000422989034 296364541 /nfs/dbraw/zinc/36/45/41/296364541.db2.gz LKOVXCGCROOHDO-RTBURBONSA-N 1 3 316.493 2.808 20 0 DFADHO N[C@H]1CCCCC[C@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422991307 296364702 /nfs/dbraw/zinc/36/47/02/296364702.db2.gz AVLLKGBUYTUFIE-QWHCGFSZSA-N 1 3 317.355 2.729 20 0 DFADHO C[C@H]1CCNC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423002488 296365958 /nfs/dbraw/zinc/36/59/58/296365958.db2.gz JJHJOAVFVMRRAH-WFASDCNBSA-N 1 3 316.367 2.853 20 0 DFADHO CC(C)N1CCC([NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000422996739 296365382 /nfs/dbraw/zinc/36/53/82/296365382.db2.gz UFUPWSBGGRRKDN-MOPGFXCFSA-N 1 3 301.478 2.942 20 0 DFADHO N[C@H]1CCCCC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000422997692 296365660 /nfs/dbraw/zinc/36/56/60/296365660.db2.gz VKBDKSBXNLZXLF-ROUUACIJSA-N 1 3 302.466 2.548 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423014049 296367896 /nfs/dbraw/zinc/36/78/96/296367896.db2.gz NYUBGJBYJBBNOO-ZOBUZTSGSA-N 1 3 305.441 2.902 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCCN(c2ccccc2F)C1 ZINC000423014049 296367897 /nfs/dbraw/zinc/36/78/97/296367897.db2.gz NYUBGJBYJBBNOO-ZOBUZTSGSA-N 1 3 305.441 2.902 20 0 DFADHO CC(C)CSCCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423013238 296367419 /nfs/dbraw/zinc/36/74/19/296367419.db2.gz MIKAUFPOYWNZCP-ARFHVFGLSA-N 1 3 300.512 2.512 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3CO2)[C@H]2CCC[C@@H]21 ZINC000624055693 399537852 /nfs/dbraw/zinc/53/78/52/399537852.db2.gz MRABSRFVGYJZKO-RDGPPVDQSA-N 1 3 300.446 2.590 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3CO2)[C@H]2CCC[C@@H]21 ZINC000624055693 399537856 /nfs/dbraw/zinc/53/78/56/399537856.db2.gz MRABSRFVGYJZKO-RDGPPVDQSA-N 1 3 300.446 2.590 20 0 DFADHO Cc1cccc2c1C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@@H]31)CO2 ZINC000624070617 399543180 /nfs/dbraw/zinc/54/31/80/399543180.db2.gz LFHWPAFYBBHEPZ-BURFUSLBSA-N 1 3 300.446 2.761 20 0 DFADHO Cc1cccc2c1C[C@H](N[C@@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)CO2 ZINC000624070617 399543184 /nfs/dbraw/zinc/54/31/84/399543184.db2.gz LFHWPAFYBBHEPZ-BURFUSLBSA-N 1 3 300.446 2.761 20 0 DFADHO Fc1ccc([C@@H]2C[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000423033790 296370344 /nfs/dbraw/zinc/37/03/44/296370344.db2.gz GYBDAXBBFZDBCF-VTEPJNGRSA-N 1 3 304.409 2.918 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1N1CCCCC1 ZINC000423041995 296371111 /nfs/dbraw/zinc/37/11/11/296371111.db2.gz KCLKCYKIIULZMP-RYQLBKOJSA-N 1 3 317.477 2.519 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NCC1(C[NH+](C)C)CCCC1 ZINC000423039682 296370593 /nfs/dbraw/zinc/37/05/93/296370593.db2.gz QYDIGDSHWHLMEL-AWEZNQCLSA-N 1 3 304.482 2.621 20 0 DFADHO CCC(CC)(CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C(=O)OC ZINC000423039324 296370674 /nfs/dbraw/zinc/37/06/74/296370674.db2.gz QIHZVGKHOUCPEY-HRCADAONSA-N 1 3 310.482 2.866 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC1(CCOCc2ccccc2)CC1 ZINC000423046096 296371763 /nfs/dbraw/zinc/37/17/63/296371763.db2.gz DCXWACNAPIUKHD-AEFFLSMTSA-N 1 3 302.462 2.961 20 0 DFADHO CN(C)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423050025 296372033 /nfs/dbraw/zinc/37/20/33/296372033.db2.gz LBKYWULSYRZNOE-SOUVJXGZSA-N 1 3 315.383 2.778 20 0 DFADHO CN(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1N)c1cccc(C(F)(F)F)c1 ZINC000423050025 296372035 /nfs/dbraw/zinc/37/20/35/296372035.db2.gz LBKYWULSYRZNOE-SOUVJXGZSA-N 1 3 315.383 2.778 20 0 DFADHO C[C@H](N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C)[C@@H]1CC[NH2+]C1 ZINC000423053375 296372474 /nfs/dbraw/zinc/37/24/74/296372474.db2.gz RUMLZZJADGGSJW-HPBDAGMYSA-N 1 3 302.462 2.958 20 0 DFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423053075 296372569 /nfs/dbraw/zinc/37/25/69/296372569.db2.gz RZRALHZIDPUAQX-YTQUADARSA-N 1 3 303.494 2.873 20 0 DFADHO Cn1cc([C@@H](NC2CCC([NH3+])CC2)c2ccc(F)cc2)cn1 ZINC000423052296 296372576 /nfs/dbraw/zinc/37/25/76/296372576.db2.gz PMXLQLRTCYKIJC-JCYILVPMSA-N 1 3 302.397 2.508 20 0 DFADHO Cn1cc(CC[NH2+][C@H]2CCCC[C@@H]2CN)c2ccc(F)cc21 ZINC000423049321 296372179 /nfs/dbraw/zinc/37/21/79/296372179.db2.gz JOENLDBRTOVDOE-DYVFJYSZSA-N 1 3 303.425 2.967 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000423057966 296373174 /nfs/dbraw/zinc/37/31/74/296373174.db2.gz BDBRNRHABVZYFL-JCGIZDLHSA-N 1 3 308.441 2.880 20 0 DFADHO C[C@H](NC[C@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423059362 296373196 /nfs/dbraw/zinc/37/31/96/296373196.db2.gz FKIDQLCDZVIJQG-ZYSHUDEJSA-N 1 3 301.478 2.627 20 0 DFADHO CC(C)n1ncc2c1C[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC2 ZINC000423069551 296374435 /nfs/dbraw/zinc/37/44/35/296374435.db2.gz DUYKKBRBNXUMQE-VSZNYVQBSA-N 1 3 316.493 2.832 20 0 DFADHO CC[C@@H](C)N(CC)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000616976478 399551879 /nfs/dbraw/zinc/55/18/79/399551879.db2.gz QXNKYKJOEAGCGG-MRXNPFEDSA-N 1 3 323.525 2.830 20 0 DFADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423071721 296375020 /nfs/dbraw/zinc/37/50/20/296375020.db2.gz IBZNYAUGQZAOOE-CADBVGFASA-N 1 3 320.452 2.630 20 0 DFADHO C[C@](CO)(CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423077232 296375715 /nfs/dbraw/zinc/37/57/15/296375715.db2.gz LSKOCAQKPBQZQF-IYWMVGAKSA-N 1 3 316.489 2.738 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCCCOc1ccc(C(F)(F)F)cn1 ZINC000423082488 296375933 /nfs/dbraw/zinc/37/59/33/296375933.db2.gz WYYDYDPSZLINCJ-GHMZBOCLSA-N 1 3 305.344 2.585 20 0 DFADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423082488 296375934 /nfs/dbraw/zinc/37/59/34/296375934.db2.gz WYYDYDPSZLINCJ-GHMZBOCLSA-N 1 3 305.344 2.585 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000423084526 296376406 /nfs/dbraw/zinc/37/64/06/296376406.db2.gz IFQXEHGVODQMHC-SZMVWBNQSA-N 1 3 303.494 2.655 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1N(C)CCCC1(C)C ZINC000423084526 296376407 /nfs/dbraw/zinc/37/64/07/296376407.db2.gz IFQXEHGVODQMHC-SZMVWBNQSA-N 1 3 303.494 2.655 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000616994076 399557630 /nfs/dbraw/zinc/55/76/30/399557630.db2.gz UDZCWIUGYPZMCF-IRXDYDNUSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000616994076 399557632 /nfs/dbraw/zinc/55/76/32/399557632.db2.gz UDZCWIUGYPZMCF-IRXDYDNUSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H](NCCc1cccc(OCC(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000423099894 296378271 /nfs/dbraw/zinc/37/82/71/296378271.db2.gz UOHPCSLJFUFJNX-OCCSQVGLSA-N 1 3 316.367 2.758 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000423099799 296378276 /nfs/dbraw/zinc/37/82/76/296378276.db2.gz MLZPFIHVOHOVIH-CJNGLKHVSA-N 1 3 305.466 2.688 20 0 DFADHO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423101450 296378683 /nfs/dbraw/zinc/37/86/83/296378683.db2.gz CXZRHNGPMWLEQL-RXABAKJHSA-N 1 3 302.462 2.925 20 0 DFADHO c1csc(N2CCC(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000423108113 296379273 /nfs/dbraw/zinc/37/92/73/296379273.db2.gz SSYLZFCIMWLYMF-OWCLPIDISA-N 1 3 320.506 2.622 20 0 DFADHO COCCCOc1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423107062 296378917 /nfs/dbraw/zinc/37/89/17/296378917.db2.gz PFDHNNJHKQNEKW-MAUKXSAKSA-N 1 3 306.450 2.580 20 0 DFADHO CCOc1ccc(CN[C@H](CCC[NH3+])COC)cc1Cl ZINC000423106684 296378933 /nfs/dbraw/zinc/37/89/33/296378933.db2.gz ORXKKFDVWXIVOB-CYBMUJFWSA-N 1 3 300.830 2.582 20 0 DFADHO CCc1noc(C2CCC([NH2+]C[C@H]3CCCCN(C)C3)CC2)n1 ZINC000624122633 399560850 /nfs/dbraw/zinc/56/08/50/399560850.db2.gz XDWJQPRNHKJCCI-QQFBHYJXSA-N 1 3 320.481 2.980 20 0 DFADHO CN1CCCC[C@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000624121348 399560932 /nfs/dbraw/zinc/56/09/32/399560932.db2.gz UGLFJLPRNGRVLT-IYXRBSQSSA-N 1 3 308.388 2.544 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccccc1-n1ccnn1 ZINC000624123410 399561306 /nfs/dbraw/zinc/56/13/06/399561306.db2.gz LNVFLHMMKDXCKJ-CVEARBPZSA-N 1 3 313.449 2.650 20 0 DFADHO COCCCOc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423114060 296379994 /nfs/dbraw/zinc/37/99/94/296379994.db2.gz ZVGMRBHWJDFUHP-SJLPKXTDSA-N 1 3 306.450 2.709 20 0 DFADHO Cc1noc(C2CCC([NH2+]C[C@H]3CCCCN(C)C3)CC2)n1 ZINC000624124093 399562721 /nfs/dbraw/zinc/56/27/21/399562721.db2.gz XEBVNVKHSUNUSV-QQFBHYJXSA-N 1 3 306.454 2.726 20 0 DFADHO Cc1cc(C[NH2+][C@H]2CCCCC[C@H]2N)cc(N2CCCC2)n1 ZINC000423120900 296380848 /nfs/dbraw/zinc/38/08/48/296380848.db2.gz HTRNIIUYUCFSQU-SJORKVTESA-N 1 3 302.466 2.740 20 0 DFADHO c1ccc2c(c1)CC1(CCOCC1)[C@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000423131138 296382236 /nfs/dbraw/zinc/38/22/36/296382236.db2.gz ZHDRYOGVASRLIP-AEFFLSMTSA-N 1 3 300.446 2.812 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000423130830 296382266 /nfs/dbraw/zinc/38/22/66/296382266.db2.gz SFNIUBSAVPSKKH-NEWSRXKRSA-N 1 3 319.493 2.794 20 0 DFADHO CC(C)c1nnc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000423128534 296381767 /nfs/dbraw/zinc/38/17/67/296381767.db2.gz KVWNLMCPFYJGOS-BFHYXJOUSA-N 1 3 308.495 2.714 20 0 DFADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423128572 296381980 /nfs/dbraw/zinc/38/19/80/296381980.db2.gz LCFRSDXXZCVPDS-WSIUPNEHSA-N 1 3 318.436 2.818 20 0 DFADHO CCc1ccc([C@H](CNC2CC[NH2+]CC2)N(CC)CC)cc1 ZINC000423136233 296383052 /nfs/dbraw/zinc/38/30/52/296383052.db2.gz UYJBDNLICMHKJH-IBGZPJMESA-N 1 3 303.494 2.974 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCCc1cnc(SC2CCCC2)nc1 ZINC000423137282 296383071 /nfs/dbraw/zinc/38/30/71/296383071.db2.gz QNIXLYXPJKHOOB-STQMWFEESA-N 1 3 308.495 2.769 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423137282 296383073 /nfs/dbraw/zinc/38/30/73/296383073.db2.gz QNIXLYXPJKHOOB-STQMWFEESA-N 1 3 308.495 2.769 20 0 DFADHO CCc1ccc([C@@H](CNC2CC[NH2+]CC2)N(CC)CC)cc1 ZINC000423136234 296383202 /nfs/dbraw/zinc/38/32/02/296383202.db2.gz UYJBDNLICMHKJH-LJQANCHMSA-N 1 3 303.494 2.974 20 0 DFADHO CSc1ccc([C@H](CN[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000423143153 296384098 /nfs/dbraw/zinc/38/40/98/296384098.db2.gz CLZRXAPKQXKWGO-RDJZCZTQSA-N 1 3 307.507 2.743 20 0 DFADHO CSc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)N(C)C)cc1 ZINC000423142924 296384247 /nfs/dbraw/zinc/38/42/47/296384247.db2.gz BQMWPMPDLUZPKV-WBAXXEDZSA-N 1 3 321.534 2.989 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423145843 296384637 /nfs/dbraw/zinc/38/46/37/296384637.db2.gz MUULHQCFUXSQBI-QMHOLRBPSA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423145843 296384639 /nfs/dbraw/zinc/38/46/39/296384639.db2.gz MUULHQCFUXSQBI-QMHOLRBPSA-N 1 3 308.853 2.928 20 0 DFADHO FC1(F)CCCC[C@@H]1CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423147829 296385145 /nfs/dbraw/zinc/38/51/45/296385145.db2.gz SWACNIJVSGHFQN-KBUPBQIOSA-N 1 3 302.409 2.559 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000423156836 296386178 /nfs/dbraw/zinc/38/61/78/296386178.db2.gz LSTXGLIAZWLYTP-GBBGEASQSA-N 1 3 302.462 2.912 20 0 DFADHO CO[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)Cc1ccccc1 ZINC000423157025 296386193 /nfs/dbraw/zinc/38/61/93/296386193.db2.gz MEZOUAHLFJKKDC-RDTXWAMCSA-N 1 3 313.445 2.757 20 0 DFADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000617009083 399569353 /nfs/dbraw/zinc/56/93/53/399569353.db2.gz RXLIVBNIKCZMFY-DLBZAZTESA-N 1 3 321.509 2.773 20 0 DFADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000617009083 399569358 /nfs/dbraw/zinc/56/93/58/399569358.db2.gz RXLIVBNIKCZMFY-DLBZAZTESA-N 1 3 321.509 2.773 20 0 DFADHO C[NH+](C)[C@@H](CC(=O)NC[C@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000617009390 399570428 /nfs/dbraw/zinc/57/04/28/399570428.db2.gz XZWHIZVMYLAITB-SJORKVTESA-N 1 3 317.477 2.668 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@](C)(O)c1ccccc1Cl ZINC000157559085 197197543 /nfs/dbraw/zinc/19/75/43/197197543.db2.gz LRWJQFVKDUXVDY-OMNBBPDLSA-N 1 3 310.869 2.866 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@](C)(O)c1ccccc1Cl ZINC000157559085 197197545 /nfs/dbraw/zinc/19/75/45/197197545.db2.gz LRWJQFVKDUXVDY-OMNBBPDLSA-N 1 3 310.869 2.866 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCNCC2)c2ccccc21 ZINC000423191061 296390451 /nfs/dbraw/zinc/39/04/51/296390451.db2.gz UCUUPSGZWQZQDR-SJORKVTESA-N 1 3 302.418 2.510 20 0 DFADHO Brc1ccc2c(c1)CC[C@@H]([NH2+]C1CCNCC1)C2 ZINC000423187779 296390136 /nfs/dbraw/zinc/39/01/36/296390136.db2.gz PNCARKKTAVAAMU-OAHLLOKOSA-N 1 3 309.251 2.648 20 0 DFADHO Brc1ccc2c(c1)CC[C@@H](NC1CC[NH2+]CC1)C2 ZINC000423187779 296390137 /nfs/dbraw/zinc/39/01/37/296390137.db2.gz PNCARKKTAVAAMU-OAHLLOKOSA-N 1 3 309.251 2.648 20 0 DFADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423200130 296391998 /nfs/dbraw/zinc/39/19/98/296391998.db2.gz DKFDTPPVVPPLMT-NSHDSACASA-N 1 3 302.249 2.549 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCNC2)C1 ZINC000423221932 296394040 /nfs/dbraw/zinc/39/40/40/296394040.db2.gz YSMGAVQBFZHXDG-TWMKSMIVSA-N 1 3 310.482 2.866 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@@H](NC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423216965 296393472 /nfs/dbraw/zinc/39/34/72/296393472.db2.gz STGHYHAUNOLJAD-BMGDILEWSA-N 1 3 316.445 2.757 20 0 DFADHO Fc1ccc(N2CCC([NH2+]C[C@@H]3CCCNC3)CC2)c(F)c1 ZINC000423216053 296393487 /nfs/dbraw/zinc/39/34/87/296393487.db2.gz RHVMIDHBIYKGCQ-CYBMUJFWSA-N 1 3 309.404 2.523 20 0 DFADHO COc1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1Br ZINC000423222728 296394423 /nfs/dbraw/zinc/39/44/23/296394423.db2.gz CHBRVBNSKBGEKO-UWVGGRQHSA-N 1 3 301.228 2.846 20 0 DFADHO COC[C@@H](NCC[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423242667 296396175 /nfs/dbraw/zinc/39/61/75/296396175.db2.gz FNECHHLXOQAFFP-SWLSCSKDSA-N 1 3 316.367 2.982 20 0 DFADHO CC(C)[C@@H]([NH3+])CN[C@@H]1CCc2cccc(Br)c2C1 ZINC000423263307 296398202 /nfs/dbraw/zinc/39/82/02/296398202.db2.gz AVHNUZQJXVETFS-DOMZBBRYSA-N 1 3 311.267 2.879 20 0 DFADHO CC(C)[C@H]([NH3+])CN[C@@H]1CCc2cccc(Br)c2C1 ZINC000423263308 296398343 /nfs/dbraw/zinc/39/83/43/296398343.db2.gz AVHNUZQJXVETFS-IUODEOHRSA-N 1 3 311.267 2.879 20 0 DFADHO COc1cc(F)c([C@@H](C)NCC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423258936 296397743 /nfs/dbraw/zinc/39/77/43/296397743.db2.gz NDSZCCIJRNXTGN-OLZOCXBDSA-N 1 3 310.413 2.883 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@H](C)Cc1ccc(F)cc1Br ZINC000423270709 296399273 /nfs/dbraw/zinc/39/92/73/296399273.db2.gz IDKDIQMYZSDRKP-GHMZBOCLSA-N 1 3 317.246 2.964 20 0 DFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000423266889 296398647 /nfs/dbraw/zinc/39/86/47/296398647.db2.gz DWOTVROQHUMRDZ-KPFFTGBYSA-N 1 3 315.505 2.799 20 0 DFADHO CN1CCC(O)(C[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000271474005 208940834 /nfs/dbraw/zinc/94/08/34/208940834.db2.gz HKBRYOXAPTZEIP-UHFFFAOYSA-N 1 3 324.468 2.865 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423279176 296400268 /nfs/dbraw/zinc/40/02/68/296400268.db2.gz RPKURSGBFKOQIN-LRDDRELGSA-N 1 3 309.404 2.651 20 0 DFADHO COCC[C@@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000156087698 197085637 /nfs/dbraw/zinc/08/56/37/197085637.db2.gz OIRZOMYVKDNWOD-GOSISDBHSA-N 1 3 319.493 2.603 20 0 DFADHO C[C@@]1(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCCNC1 ZINC000423326922 296404857 /nfs/dbraw/zinc/40/48/57/296404857.db2.gz KTRYNYJESCLOEV-GOSISDBHSA-N 1 3 323.431 2.913 20 0 DFADHO O[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000624217625 399601516 /nfs/dbraw/zinc/60/15/16/399601516.db2.gz ASCNVVWGXRSWEU-SWBPCFCJSA-N 1 3 314.473 2.648 20 0 DFADHO CCN1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000347882886 285223477 /nfs/dbraw/zinc/22/34/77/285223477.db2.gz VGPMJNZYIZOSMM-SXLOBPIMSA-N 1 3 315.505 2.971 20 0 DFADHO FC(F)(F)c1cnc2c(c1)[C@@H](NCC1=CC[NH2+]CC1)CCC2 ZINC000423347145 296406946 /nfs/dbraw/zinc/40/69/46/296406946.db2.gz QDZXQNBOISRDMK-AWEZNQCLSA-N 1 3 311.351 2.987 20 0 DFADHO COC(=O)c1ccc(CN2CCC3(C2)CC[NH+](C)CC3)c(F)c1 ZINC000602877695 399612301 /nfs/dbraw/zinc/61/23/01/399612301.db2.gz KHMJVXVZCRMNQC-UHFFFAOYSA-N 1 3 320.408 2.530 20 0 DFADHO COC(=O)c1oc([C@H](C)N2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC000602877033 399612732 /nfs/dbraw/zinc/61/27/32/399612732.db2.gz KHBSHCFTUYKMIY-AWEZNQCLSA-N 1 3 320.433 2.853 20 0 DFADHO COc1ccc([C@H]2CCCC[C@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000423456677 296418098 /nfs/dbraw/zinc/41/80/98/296418098.db2.gz NXNWVRLVXZAUKN-CNKGYHKASA-N 1 3 304.409 2.668 20 0 DFADHO C[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)c1ncc(Br)cc1F ZINC000423494077 296421957 /nfs/dbraw/zinc/42/19/57/296421957.db2.gz CTGCRQVJNMVZIJ-IQJOONFLSA-N 1 3 316.218 2.761 20 0 DFADHO CC(C)[C@H]1C[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)CCO1 ZINC000423524225 296425913 /nfs/dbraw/zinc/42/59/13/296425913.db2.gz JBNPJGMMNICJQE-IUSBLUBVSA-N 1 3 306.494 2.933 20 0 DFADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423525308 296426417 /nfs/dbraw/zinc/42/64/17/296426417.db2.gz KIWNRZSDYWPGMZ-HWZUTKJVSA-N 1 3 306.494 2.935 20 0 DFADHO COC[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000423547165 296428825 /nfs/dbraw/zinc/42/88/25/296428825.db2.gz PQYKIAOWDIRPDG-ZJOBFFGXSA-N 1 3 310.388 2.630 20 0 DFADHO C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271563410 209016018 /nfs/dbraw/zinc/01/60/18/209016018.db2.gz URRACCQKELRODR-KGLIPLIRSA-N 1 3 302.422 2.762 20 0 DFADHO c1n[nH]cc1CC[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000289650013 221129543 /nfs/dbraw/zinc/12/95/43/221129543.db2.gz GEDHBVFKXTWFHJ-ZCNNSNEGSA-N 1 3 324.472 2.843 20 0 DFADHO C[C@H](CCCO)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000294879018 224282173 /nfs/dbraw/zinc/28/21/73/224282173.db2.gz VKFSTEIEUZWLFY-BTHPGYMESA-N 1 3 316.489 2.895 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000289798005 221233268 /nfs/dbraw/zinc/23/32/68/221233268.db2.gz YYXGQAPDGFNPOZ-OKZBNKHCSA-N 1 3 317.477 2.574 20 0 DFADHO CCc1ncc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)s1 ZINC000084018244 542505373 /nfs/dbraw/zinc/50/53/73/542505373.db2.gz BKWSZZXUKKCNQB-ZIAGYGMSSA-N 1 3 311.495 2.685 20 0 DFADHO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000624309793 399635309 /nfs/dbraw/zinc/63/53/09/399635309.db2.gz XXLXKVCHNFUEKO-RKVPGOIHSA-N 1 3 306.450 2.703 20 0 DFADHO CC[C@@H](NCCOCC[NH2+]C)c1cc(Cl)ccc1OC ZINC000629528994 399636156 /nfs/dbraw/zinc/63/61/56/399636156.db2.gz ORLBNBIPXDRDLW-CQSZACIVSA-N 1 3 300.830 2.625 20 0 DFADHO C[NH2+]CCOCCN[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000629528491 399636333 /nfs/dbraw/zinc/63/63/33/399636333.db2.gz ALOWUVHXYNOTFO-AWEZNQCLSA-N 1 3 302.418 2.735 20 0 DFADHO C[NH2+]CCOCCN[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000629528492 399636744 /nfs/dbraw/zinc/63/67/44/399636744.db2.gz ALOWUVHXYNOTFO-CQSZACIVSA-N 1 3 302.418 2.735 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000629528318 399636795 /nfs/dbraw/zinc/63/67/95/399636795.db2.gz WFWYWSZDAJYFRV-QXCFHYIPSA-N 1 3 301.478 2.770 20 0 DFADHO C[NH2+]CCOCCN[C@H](c1ccccc1OC)C1CCCC1 ZINC000629529861 399637991 /nfs/dbraw/zinc/63/79/91/399637991.db2.gz ORXVMIFLJWJMHW-SFHVURJKSA-N 1 3 306.450 2.752 20 0 DFADHO C[NH2+]CCOCCN[C@@H](C)c1cc(C)c(Br)s1 ZINC000629530870 399638090 /nfs/dbraw/zinc/63/80/90/399638090.db2.gz TXVQQSYPJRDRKS-JTQLQIEISA-N 1 3 321.284 2.706 20 0 DFADHO Nc1ncccc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000294948689 224331654 /nfs/dbraw/zinc/33/16/54/224331654.db2.gz LXHQLSIDELDXGW-UHFFFAOYSA-N 1 3 302.466 2.752 20 0 DFADHO CC[C@@H](NCCOCCC[NH3+])c1cc(Cl)ccc1OC ZINC000629534527 399638894 /nfs/dbraw/zinc/63/88/94/399638894.db2.gz AMTCVZCBSCJREM-CQSZACIVSA-N 1 3 300.830 2.755 20 0 DFADHO [NH3+]CCCOCCN[C@H]1CCSc2c(Cl)cccc21 ZINC000629541988 399641880 /nfs/dbraw/zinc/64/18/80/399641880.db2.gz VVIQMHYKCINGDP-ZDUSSCGKSA-N 1 3 300.855 2.832 20 0 DFADHO Cc1ccc(C2(CNC[C@H](O)C[NH+]3CCCC3)CCC2)cc1C ZINC000629578923 399653964 /nfs/dbraw/zinc/65/39/64/399653964.db2.gz HKPBXSZXDTVOIN-IBGZPJMESA-N 1 3 316.489 2.771 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@H]1NC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000629610231 399663317 /nfs/dbraw/zinc/66/33/17/399663317.db2.gz UZBHOOMCDXGSTL-HLAWJBBLSA-N 1 3 324.468 2.933 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@H]1NC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000629610231 399663321 /nfs/dbraw/zinc/66/33/21/399663321.db2.gz UZBHOOMCDXGSTL-HLAWJBBLSA-N 1 3 324.468 2.933 20 0 DFADHO CCC[C@@H](NCc1cn([C@@H]2CC[NH2+]C2)nn1)C1CCCCC1 ZINC000629553672 399646367 /nfs/dbraw/zinc/64/63/67/399646367.db2.gz WUZCYTCFYABFBO-IAGOWNOFSA-N 1 3 305.470 2.651 20 0 DFADHO CCC[C@@H](NCc1cn([C@H]2CC[NH2+]C2)nn1)C1CCCCC1 ZINC000629553671 399646480 /nfs/dbraw/zinc/64/64/80/399646480.db2.gz WUZCYTCFYABFBO-DLBZAZTESA-N 1 3 305.470 2.651 20 0 DFADHO O[C@H](CNCC1(c2ccc(Cl)cc2)CCC1)C[NH+]1CCCC1 ZINC000629558591 399647876 /nfs/dbraw/zinc/64/78/76/399647876.db2.gz DBAVDSNRCINGFG-QGZVFWFLSA-N 1 3 322.880 2.808 20 0 DFADHO Cc1[nH]c2c(cc(C)cc2C[NH2+]C[C@H](O)CN2CCCC2)c1C ZINC000629559916 399649466 /nfs/dbraw/zinc/64/94/66/399649466.db2.gz UVBPCBDMFMRDQD-KRWDZBQOSA-N 1 3 315.461 2.639 20 0 DFADHO C[NH2+]CCOCCN(C)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000629571311 399652594 /nfs/dbraw/zinc/65/25/94/399652594.db2.gz KSNPHRVJOAJONG-GFCCVEGCSA-N 1 3 320.355 2.814 20 0 DFADHO C[NH2+]Cc1cccc(-c2ccccc2CN2CCN(C)CC2)c1 ZINC000629735145 399708212 /nfs/dbraw/zinc/70/82/12/399708212.db2.gz JZQYLARQZPOZPJ-UHFFFAOYSA-N 1 3 309.457 2.820 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN(C)C[C@@H](C)C2CCCCC2)CC1 ZINC000625986858 399709824 /nfs/dbraw/zinc/70/98/24/399709824.db2.gz WHTWIPRNESPEIH-MRXNPFEDSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2nc3c(s2)CCC3)C[C@H](C)O1 ZINC000093066167 542551368 /nfs/dbraw/zinc/55/13/68/542551368.db2.gz COGANLHVGMXQTM-KBPBESRZSA-N 1 3 323.506 2.611 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(C)CCCCCC1 ZINC000617506511 399719878 /nfs/dbraw/zinc/71/98/78/399719878.db2.gz QEHNWSBNBQOTBU-INIZCTEOSA-N 1 3 311.514 2.735 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(C)CCCCCC1 ZINC000617506511 399719881 /nfs/dbraw/zinc/71/98/81/399719881.db2.gz QEHNWSBNBQOTBU-INIZCTEOSA-N 1 3 311.514 2.735 20 0 DFADHO CN(C)Cc1ccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000348100226 285348937 /nfs/dbraw/zinc/34/89/37/285348937.db2.gz FNTPZHOPAUIKFJ-LSDHHAIUSA-N 1 3 316.367 2.948 20 0 DFADHO C[C@H](NCCC[NH+]1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000348102435 285350257 /nfs/dbraw/zinc/35/02/57/285350257.db2.gz KOKAOCUJVCDEQK-INIZCTEOSA-N 1 3 313.449 2.794 20 0 DFADHO CN(C)C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423768789 296445447 /nfs/dbraw/zinc/44/54/47/296445447.db2.gz FRNULFFAIMRSIO-HZPDHXFCSA-N 1 3 323.868 2.591 20 0 DFADHO CCN1CCC[C@@H]1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000121715028 195333994 /nfs/dbraw/zinc/33/39/94/195333994.db2.gz ZMUGGMRSTMQLGN-HXUWFJFHSA-N 1 3 315.505 2.767 20 0 DFADHO C[C@@H](C(=O)NCc1ccccc1CN(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000121985125 195385532 /nfs/dbraw/zinc/38/55/32/195385532.db2.gz GQOQFAROCPIVAU-XHSDSOJGSA-N 1 3 317.477 2.626 20 0 DFADHO C[C@@H](C(=O)NCc1ccccc1CN(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000121985125 195385535 /nfs/dbraw/zinc/38/55/35/195385535.db2.gz GQOQFAROCPIVAU-XHSDSOJGSA-N 1 3 317.477 2.626 20 0 DFADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123478807 195586273 /nfs/dbraw/zinc/58/62/73/195586273.db2.gz GADVIPKRWWPECU-HNNXBMFYSA-N 1 3 311.514 2.734 20 0 DFADHO CCN(CCn1cc(C)cn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062645 399741705 /nfs/dbraw/zinc/74/17/05/399741705.db2.gz ZXLFKBKBXOWRGA-UHFFFAOYSA-N 1 3 300.450 2.775 20 0 DFADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc2c(c1)OCCO2 ZINC000295921296 533341522 /nfs/dbraw/zinc/34/15/22/533341522.db2.gz JWKGRKLNKGLWGD-OHRKKDJYSA-N 1 3 302.418 2.734 20 0 DFADHO CO[C@]1(C)C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1(C)C ZINC000297334676 533374070 /nfs/dbraw/zinc/37/40/70/533374070.db2.gz DAUQDWSZWTWKSN-SJLPKXTDSA-N 1 3 303.450 2.844 20 0 DFADHO c1cc(N2CCC([NH2+]CCN3CCCCCC3)CC2)ccn1 ZINC000298261673 285442617 /nfs/dbraw/zinc/44/26/17/285442617.db2.gz FQTFVBNLTKOVMG-UHFFFAOYSA-N 1 3 302.466 2.516 20 0 DFADHO C[C@@H]([NH2+]CCN1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272442929 130031496 /nfs/dbraw/zinc/03/14/96/130031496.db2.gz ITYHTARTBMEXLV-UYAOXDASSA-N 1 3 315.505 2.973 20 0 DFADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000629961024 399770471 /nfs/dbraw/zinc/77/04/71/399770471.db2.gz GSARFIJDXXMNNO-DLBZAZTESA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000629961024 399770473 /nfs/dbraw/zinc/77/04/73/399770473.db2.gz GSARFIJDXXMNNO-DLBZAZTESA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(OCCN(C)C)cc1 ZINC000131911953 542640112 /nfs/dbraw/zinc/64/01/12/542640112.db2.gz CFMZWXBMSYMHFX-NVXWUHKLSA-N 1 3 306.450 2.847 20 0 DFADHO C/C=C\C[C@@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000626162675 399782057 /nfs/dbraw/zinc/78/20/57/399782057.db2.gz XPQXQYBRTHZFJJ-VGOKWCNXSA-N 1 3 321.509 2.654 20 0 DFADHO Cc1cccn2cc(CCNC3CC[NH+](CC4CC4)CC3)nc12 ZINC000156294913 542700733 /nfs/dbraw/zinc/70/07/33/542700733.db2.gz XOBCLVQHACXULD-UHFFFAOYSA-N 1 3 312.461 2.649 20 0 DFADHO CN(CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000166251631 542750407 /nfs/dbraw/zinc/75/04/07/542750407.db2.gz VTOXNQPJIUBDRA-JKSUJKDBSA-N 1 3 305.441 2.868 20 0 DFADHO CN(CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000166251631 542750413 /nfs/dbraw/zinc/75/04/13/542750413.db2.gz VTOXNQPJIUBDRA-JKSUJKDBSA-N 1 3 305.441 2.868 20 0 DFADHO Cc1cc2c(cc1C)[C@H]([NH2+]CC1(O)CCN(C)CC1)CCS2 ZINC000275275700 292010141 /nfs/dbraw/zinc/01/01/41/292010141.db2.gz CPBPEHPDTCMGSU-MRXNPFEDSA-N 1 3 320.502 2.887 20 0 DFADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(OCCN(C)C)cc1 ZINC000178310323 542776119 /nfs/dbraw/zinc/77/61/19/542776119.db2.gz XYMZXYBWFGAHHV-PILAGYSTSA-N 1 3 304.434 2.598 20 0 DFADHO C[C@@H]1C[C@H](Nc2ccccc2CN2CCC(O)CC2)CC[N@@H+]1C ZINC000182249507 542793870 /nfs/dbraw/zinc/79/38/70/542793870.db2.gz MKYYUHNWEZNMTI-NVXWUHKLSA-N 1 3 317.477 2.538 20 0 DFADHO C[C@@H]1C[C@H](Nc2ccccc2CN2CCC(O)CC2)CC[N@H+]1C ZINC000182249507 542793872 /nfs/dbraw/zinc/79/38/72/542793872.db2.gz MKYYUHNWEZNMTI-NVXWUHKLSA-N 1 3 317.477 2.538 20 0 DFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)cc1 ZINC000273138678 542971768 /nfs/dbraw/zinc/97/17/68/542971768.db2.gz CUEVRQUZVXWLKY-QGZVFWFLSA-N 1 3 317.477 2.646 20 0 DFADHO C[C@@H]1C[N@H+](CCCN[C@@H]2CCc3ccc(F)cc32)CCCO1 ZINC000278444799 542982274 /nfs/dbraw/zinc/98/22/74/542982274.db2.gz HUYOHVUEWMIQKR-RDTXWAMCSA-N 1 3 306.425 2.904 20 0 DFADHO C[C@@H]1C[N@@H+](CCCN[C@@H]2CCc3ccc(F)cc32)CCCO1 ZINC000278444799 542982277 /nfs/dbraw/zinc/98/22/77/542982277.db2.gz HUYOHVUEWMIQKR-RDTXWAMCSA-N 1 3 306.425 2.904 20 0 DFADHO CSc1ccc(OCC[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292162945 543015328 /nfs/dbraw/zinc/01/53/28/543015328.db2.gz OUVGHFAQWYKHQR-KRWDZBQOSA-N 1 3 306.475 2.815 20 0 DFADHO CSc1ccc(OCC[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292162945 543015331 /nfs/dbraw/zinc/01/53/31/543015331.db2.gz OUVGHFAQWYKHQR-KRWDZBQOSA-N 1 3 306.475 2.815 20 0 DFADHO C[C@H](C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1)N(C)C ZINC000449228169 297425819 /nfs/dbraw/zinc/42/58/19/297425819.db2.gz XREOXJBQZOONQW-IAGOWNOFSA-N 1 3 303.494 2.622 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000321587629 543086112 /nfs/dbraw/zinc/08/61/12/543086112.db2.gz WINZATVMULRDOI-FGTMMUONSA-N 1 3 317.477 2.561 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccnc2C)[C@@H](C)C1 ZINC000604418272 399845779 /nfs/dbraw/zinc/84/57/79/399845779.db2.gz OWUYXKGBAQMJNF-YJBOKZPZSA-N 1 3 305.466 2.617 20 0 DFADHO c1ccc(CCOCCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339070200 543140539 /nfs/dbraw/zinc/14/05/39/543140539.db2.gz ZKGXFBCVNYCIGR-OALUTQOASA-N 1 3 302.462 2.852 20 0 DFADHO c1ccc(CCOCCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339070200 543140543 /nfs/dbraw/zinc/14/05/43/543140543.db2.gz ZKGXFBCVNYCIGR-OALUTQOASA-N 1 3 302.462 2.852 20 0 DFADHO CC(C)[C@@H]1CC[C@@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000343945637 543169852 /nfs/dbraw/zinc/16/98/52/543169852.db2.gz WJKMMNPGVQYWMN-IRXDYDNUSA-N 1 3 305.466 2.936 20 0 DFADHO CN1CCC(C[NH2+][C@H]2CC[C@@H]2C2CC2)(N2CCCCC2)CC1 ZINC000348102591 543183054 /nfs/dbraw/zinc/18/30/54/543183054.db2.gz NYLLZDIKUGTNRY-MSOLQXFVSA-N 1 3 305.510 2.715 20 0 DFADHO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000353628857 543237069 /nfs/dbraw/zinc/23/70/69/543237069.db2.gz CNBYNPOHANALIR-ZWKOTPCHSA-N 1 3 317.477 2.502 20 0 DFADHO C[C@H](NCc1ccn(Cc2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000389959363 543305398 /nfs/dbraw/zinc/30/53/98/543305398.db2.gz GPMSPQZODVRGSG-INIZCTEOSA-N 1 3 312.461 2.751 20 0 DFADHO C[C@@H](CO[C@H]1CCOC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000166380433 145234310 /nfs/dbraw/zinc/23/43/10/145234310.db2.gz LFKIERCUDHZWLM-YJBOKZPZSA-N 1 3 310.482 2.567 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(F)c(Br)c2)C1 ZINC000414930684 543328172 /nfs/dbraw/zinc/32/81/72/543328172.db2.gz TYINEXYNMQPOSV-MNOVXSKESA-N 1 3 301.203 2.948 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000414931394 543328376 /nfs/dbraw/zinc/32/83/76/543328376.db2.gz UMQWTCOQCJQNKH-RYUDHWBXSA-N 1 3 306.360 2.714 20 0 DFADHO COc1ccccc1N1CCC([NH2+]CC2=CCN(C)CC2)CC1 ZINC000631107455 399982131 /nfs/dbraw/zinc/98/21/31/399982131.db2.gz AXVJYRHNSQNSQK-UHFFFAOYSA-N 1 3 315.461 2.516 20 0 DFADHO COc1cc(F)cc(OC)c1CNCC1(C)CC[NH+](C)CC1 ZINC000631109973 399982540 /nfs/dbraw/zinc/98/25/40/399982540.db2.gz UVENOTKSCLFQTE-UHFFFAOYSA-N 1 3 310.413 2.664 20 0 DFADHO CC[C@@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)N(CC)CC ZINC000633944231 399963623 /nfs/dbraw/zinc/96/36/23/399963623.db2.gz NXXNSSGUDACQDQ-INIZCTEOSA-N 1 3 309.498 2.584 20 0 DFADHO Cc1scc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c1C ZINC000631090612 399978937 /nfs/dbraw/zinc/97/89/37/399978937.db2.gz HMFAQXDSAAYSFW-IRXDYDNUSA-N 1 3 308.491 2.832 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000634120875 399985200 /nfs/dbraw/zinc/98/52/00/399985200.db2.gz PQMOAEXNCHMJPD-JYJNAYRXSA-N 1 3 309.498 2.581 20 0 DFADHO C[N@H+](CCCCNCc1ccncc1Br)C1CC1 ZINC000631154500 399991685 /nfs/dbraw/zinc/99/16/85/399991685.db2.gz CBGDSXLQDUVLDJ-UHFFFAOYSA-N 1 3 312.255 2.808 20 0 DFADHO C[N@@H+](CCCCNCc1ccncc1Br)C1CC1 ZINC000631154500 399991687 /nfs/dbraw/zinc/99/16/87/399991687.db2.gz CBGDSXLQDUVLDJ-UHFFFAOYSA-N 1 3 312.255 2.808 20 0 DFADHO Cc1ccc([C@H](C)CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000628167607 399995184 /nfs/dbraw/zinc/99/51/84/399995184.db2.gz SSZXABGIRKGKNT-UYAOXDASSA-N 1 3 315.505 2.810 20 0 DFADHO Cc1ccc([C@H](C)CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000628167607 399995185 /nfs/dbraw/zinc/99/51/85/399995185.db2.gz SSZXABGIRKGKNT-UYAOXDASSA-N 1 3 315.505 2.810 20 0 DFADHO COc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000631566135 400052002 /nfs/dbraw/zinc/05/20/02/400052002.db2.gz LQYCFQYJOHRDAV-RHSMWYFYSA-N 1 3 316.445 2.983 20 0 DFADHO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CC1(O)CCN(C)CC1 ZINC000631580583 400054503 /nfs/dbraw/zinc/05/45/03/400054503.db2.gz AZIAQWQTDKIKNU-HNNXBMFYSA-N 1 3 315.461 2.535 20 0 DFADHO C[C@H]1C[C@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000631655714 400062775 /nfs/dbraw/zinc/06/27/75/400062775.db2.gz WNPDFAMKCRACET-AADNMHCOSA-N 1 3 310.388 2.867 20 0 DFADHO C[C@H]1C[C@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000631655714 400062776 /nfs/dbraw/zinc/06/27/76/400062776.db2.gz WNPDFAMKCRACET-AADNMHCOSA-N 1 3 310.388 2.867 20 0 DFADHO OC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000631669667 400064686 /nfs/dbraw/zinc/06/46/86/400064686.db2.gz JGYNCLVJVAUWGX-CENDIDJXSA-N 1 3 314.473 2.648 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@@H](O)C(F)F)CC1 ZINC000631696886 400067854 /nfs/dbraw/zinc/06/78/54/400067854.db2.gz ILRRNUIPJRJVHW-BPLDGKMQSA-N 1 3 304.425 2.635 20 0 DFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000631696886 400067855 /nfs/dbraw/zinc/06/78/55/400067855.db2.gz ILRRNUIPJRJVHW-BPLDGKMQSA-N 1 3 304.425 2.635 20 0 DFADHO C[C@H]1CN(Cc2ccc(OCc3cccnc3)cc2)C[C@H]1C[NH3+] ZINC000631839375 400079007 /nfs/dbraw/zinc/07/90/07/400079007.db2.gz FRFFGFJNIYDJKX-MAUKXSAKSA-N 1 3 311.429 2.687 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000237082309 146036112 /nfs/dbraw/zinc/03/61/12/146036112.db2.gz UAHOPXGORQZKTK-MAUKXSAKSA-N 1 3 317.477 2.662 20 0 DFADHO CCC[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245710386 146096828 /nfs/dbraw/zinc/09/68/28/146096828.db2.gz NDHVIYILBLJWHH-FCGDIQPGSA-N 1 3 302.462 2.933 20 0 DFADHO CCC[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245710386 146096831 /nfs/dbraw/zinc/09/68/31/146096831.db2.gz NDHVIYILBLJWHH-FCGDIQPGSA-N 1 3 302.462 2.933 20 0 DFADHO CN1CCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245731236 146098578 /nfs/dbraw/zinc/09/85/78/146098578.db2.gz QGKRXWPERKMZBT-YRPNKDGESA-N 1 3 313.489 2.866 20 0 DFADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000245745786 146099902 /nfs/dbraw/zinc/09/99/02/146099902.db2.gz MRYSHNDXXNEZOT-RVKKMQEKSA-N 1 3 320.477 2.928 20 0 DFADHO C[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000247363963 146167786 /nfs/dbraw/zinc/16/77/86/146167786.db2.gz MTQUGIPSIXHTBX-BRWVUGGUSA-N 1 3 321.509 2.725 20 0 DFADHO C[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000247363963 146167789 /nfs/dbraw/zinc/16/77/89/146167789.db2.gz MTQUGIPSIXHTBX-BRWVUGGUSA-N 1 3 321.509 2.725 20 0 DFADHO OCCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000250095557 146210119 /nfs/dbraw/zinc/21/01/19/146210119.db2.gz QSOUVRMGXCVXPX-CEXWTWQISA-N 1 3 314.473 2.649 20 0 DFADHO CCN(C/C=C\C[N@H+](CC)C[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000255888547 146234977 /nfs/dbraw/zinc/23/49/77/146234977.db2.gz OTQQIHSDVNGQOU-SPCWZHTESA-N 1 3 310.482 2.544 20 0 DFADHO CCN(C/C=C\C[N@@H+](CC)C[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000255888547 146234980 /nfs/dbraw/zinc/23/49/80/146234980.db2.gz OTQQIHSDVNGQOU-SPCWZHTESA-N 1 3 310.482 2.544 20 0 DFADHO CCN(C/C=C\C[N@H+](CC)C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000255888547 146234983 /nfs/dbraw/zinc/23/49/83/146234983.db2.gz OTQQIHSDVNGQOU-SPCWZHTESA-N 1 3 310.482 2.544 20 0 DFADHO CCN(C/C=C\C[N@@H+](CC)C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000255888547 146234987 /nfs/dbraw/zinc/23/49/87/146234987.db2.gz OTQQIHSDVNGQOU-SPCWZHTESA-N 1 3 310.482 2.544 20 0 DFADHO C[C@@H]1C[C@H](CN2CCN(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC000261594669 146244371 /nfs/dbraw/zinc/24/43/71/146244371.db2.gz AZFBEUBLRLDXED-HUUCEWRRSA-N 1 3 307.869 2.850 20 0 DFADHO CCC1(C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CCOCC1 ZINC000261603208 146245189 /nfs/dbraw/zinc/24/51/89/146245189.db2.gz AOPLZSLMOXDIAD-MSOLQXFVSA-N 1 3 302.462 2.868 20 0 DFADHO CCC1(C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CCOCC1 ZINC000261603208 146245194 /nfs/dbraw/zinc/24/51/94/146245194.db2.gz AOPLZSLMOXDIAD-MSOLQXFVSA-N 1 3 302.462 2.868 20 0 DFADHO CCCN(Cc1cc(OC)c(OC)cc1C)C1CC[NH2+]CC1 ZINC000261673948 146258369 /nfs/dbraw/zinc/25/83/69/146258369.db2.gz LUCGKZDVBPCWMG-UHFFFAOYSA-N 1 3 306.450 2.976 20 0 DFADHO CCC[N@H+](Cc1cc(OC)c(OC)cc1C)C1CCNCC1 ZINC000261673948 146258370 /nfs/dbraw/zinc/25/83/70/146258370.db2.gz LUCGKZDVBPCWMG-UHFFFAOYSA-N 1 3 306.450 2.976 20 0 DFADHO CCC[N@@H+](Cc1cc(OC)c(OC)cc1C)C1CCNCC1 ZINC000261673948 146258373 /nfs/dbraw/zinc/25/83/73/146258373.db2.gz LUCGKZDVBPCWMG-UHFFFAOYSA-N 1 3 306.450 2.976 20 0 DFADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000261738290 146268070 /nfs/dbraw/zinc/26/80/70/146268070.db2.gz NQSAUFXYDKTMIZ-HUUCEWRRSA-N 1 3 319.424 2.708 20 0 DFADHO C[C@]1(CN2CCN(Cc3ccccc3)C(C)(C)C2)CC[NH2+]C1 ZINC000261911247 146300752 /nfs/dbraw/zinc/30/07/52/146300752.db2.gz YHFHZLHHOKVALY-IBGZPJMESA-N 1 3 301.478 2.582 20 0 DFADHO CC[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261954902 146309153 /nfs/dbraw/zinc/30/91/53/146309153.db2.gz OLOLVOMQUFAIRX-RBUKOAKNSA-N 1 3 301.478 2.582 20 0 DFADHO C[C@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccccc1Cl ZINC000261980811 146314946 /nfs/dbraw/zinc/31/49/46/146314946.db2.gz RHFQXEITOGOAOB-KBPBESRZSA-N 1 3 323.868 2.578 20 0 DFADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000261985459 146317211 /nfs/dbraw/zinc/31/72/11/146317211.db2.gz JTUKNINUCCRPBH-CVEARBPZSA-N 1 3 317.477 2.574 20 0 DFADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000261985462 146318009 /nfs/dbraw/zinc/31/80/09/146318009.db2.gz JTUKNINUCCRPBH-HZPDHXFCSA-N 1 3 317.477 2.574 20 0 DFADHO c1ccc(CCOC2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000262006560 146321347 /nfs/dbraw/zinc/32/13/47/146321347.db2.gz URWLDNAZAXJFGD-GOSISDBHSA-N 1 3 302.462 2.710 20 0 DFADHO c1ccc(CCOC2CC[NH+](C[C@@H]3CCCNC3)CC2)cc1 ZINC000262006560 146321352 /nfs/dbraw/zinc/32/13/52/146321352.db2.gz URWLDNAZAXJFGD-GOSISDBHSA-N 1 3 302.462 2.710 20 0 DFADHO Cc1ccc(CN2CCC[C@H]([C@H](C)[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000262052675 146326945 /nfs/dbraw/zinc/32/69/45/146326945.db2.gz ZTXLJFSFASGOTE-HOTGVXAUSA-N 1 3 312.461 2.955 20 0 DFADHO CCN(CC1CCN(c2ccccn2)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000262115829 146335340 /nfs/dbraw/zinc/33/53/40/146335340.db2.gz WXPYEHZRKOSKKJ-IBGZPJMESA-N 1 3 316.493 2.620 20 0 DFADHO CCCOc1ccc(OCCN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000262560881 146371313 /nfs/dbraw/zinc/37/13/13/146371313.db2.gz VLLFYPTWBQUWIB-QGTPRVQTSA-N 1 3 304.434 2.523 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2scnc2C2CC2)C[C@H](C)O1 ZINC000486940866 543400249 /nfs/dbraw/zinc/40/02/49/543400249.db2.gz PPBLCTLYMJFXBM-OKILXGFUSA-N 1 3 323.506 3.000 20 0 DFADHO COC(=O)C(C)(C)CCNCc1cccc(C[NH+]2CCCC2)c1 ZINC000354582340 147087135 /nfs/dbraw/zinc/08/71/35/147087135.db2.gz HIZKJUNYSODKHR-UHFFFAOYSA-N 1 3 318.461 2.961 20 0 DFADHO C[C@@](CO)(CNC1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000514982082 543422353 /nfs/dbraw/zinc/42/23/53/543422353.db2.gz HTKBVGGZLSVGCG-FQEVSTJZSA-N 1 3 316.489 2.692 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000354924282 147197588 /nfs/dbraw/zinc/19/75/88/147197588.db2.gz WOPWNEKLDWXGSZ-KRWDZBQOSA-N 1 3 321.509 2.728 20 0 DFADHO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000354924282 147197591 /nfs/dbraw/zinc/19/75/91/147197591.db2.gz WOPWNEKLDWXGSZ-KRWDZBQOSA-N 1 3 321.509 2.728 20 0 DFADHO CC[NH+](CC)CC1CCN(Cc2cnc3n[nH]c(C)c3c2)CC1 ZINC000350144577 286010238 /nfs/dbraw/zinc/01/02/38/286010238.db2.gz UAAHLMYKKDJPJZ-UHFFFAOYSA-N 1 3 315.465 2.820 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(CCOc2cccc(C)c2)C1 ZINC000350229305 286020121 /nfs/dbraw/zinc/02/01/21/286020121.db2.gz YQLZHKHWTKEDRU-IBGZPJMESA-N 1 3 320.477 2.807 20 0 DFADHO Cc1ccc(F)c(CCNCc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425897683 296603453 /nfs/dbraw/zinc/60/34/53/296603453.db2.gz VQLKJJAGIGYWHP-UHFFFAOYSA-N 1 3 317.408 2.921 20 0 DFADHO c1cc2cc(CCNCc3cc(C4CC[NH2+]CC4)no3)ccc2[nH]1 ZINC000425897246 296603273 /nfs/dbraw/zinc/60/32/73/296603273.db2.gz SLQGTSJTZHWBHG-UHFFFAOYSA-N 1 3 324.428 2.955 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1ncc(Cl)cc1Cl ZINC000358283640 148318833 /nfs/dbraw/zinc/31/88/33/148318833.db2.gz GLVNJPFCUIWIQX-ZWNOBZJWSA-N 1 3 318.248 2.697 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1ncc(Cl)cc1Cl ZINC000358283640 148318837 /nfs/dbraw/zinc/31/88/37/148318837.db2.gz GLVNJPFCUIWIQX-ZWNOBZJWSA-N 1 3 318.248 2.697 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(C3CCCCC3)CC2)C1 ZINC000660010314 543524429 /nfs/dbraw/zinc/52/44/29/543524429.db2.gz JHRQTOTVWRRFNJ-QZTJIDSGSA-N 1 3 307.526 2.915 20 0 DFADHO Cn1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c(C(F)F)n1 ZINC000361117392 149032054 /nfs/dbraw/zinc/03/20/54/149032054.db2.gz JMSVDPWBZBNWPF-ZDUSSCGKSA-N 1 3 312.408 2.521 20 0 DFADHO [NH2+]=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N1CCCCC1 ZINC000361803941 149224828 /nfs/dbraw/zinc/22/48/28/149224828.db2.gz NBQNXNLXZOUKFP-GOSISDBHSA-N 1 3 314.477 2.909 20 0 DFADHO COc1ccc(CN2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)nc1 ZINC000361988588 149271573 /nfs/dbraw/zinc/27/15/73/149271573.db2.gz XCPZLFDMFGBDEI-OAHLLOKOSA-N 1 3 315.461 2.787 20 0 DFADHO COc1ccc(CN2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)nc1 ZINC000361988588 149271575 /nfs/dbraw/zinc/27/15/75/149271575.db2.gz XCPZLFDMFGBDEI-OAHLLOKOSA-N 1 3 315.461 2.787 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362393652 149296196 /nfs/dbraw/zinc/29/61/96/149296196.db2.gz UHYHHGAMUNIFEW-OAHLLOKOSA-N 1 3 321.440 2.736 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362393652 149296198 /nfs/dbraw/zinc/29/61/98/149296198.db2.gz UHYHHGAMUNIFEW-OAHLLOKOSA-N 1 3 321.440 2.736 20 0 DFADHO Cc1cc(C)n(-c2ccc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2)n1 ZINC000351479510 286130673 /nfs/dbraw/zinc/13/06/73/286130673.db2.gz RIZIOUGDKFODCM-QXAKKESOSA-N 1 3 310.445 2.658 20 0 DFADHO Cc1nc(C[C@H]2CCC[N@@H+](CC[C@@H]3CCCCN3C)C2)no1 ZINC000351545327 286149371 /nfs/dbraw/zinc/14/93/71/286149371.db2.gz OWTPDHKGCIYNLX-CVEARBPZSA-N 1 3 306.454 2.507 20 0 DFADHO Cc1nc(C[C@H]2CCC[N@H+](CC[C@@H]3CCCCN3C)C2)no1 ZINC000351545327 286149373 /nfs/dbraw/zinc/14/93/73/286149373.db2.gz OWTPDHKGCIYNLX-CVEARBPZSA-N 1 3 306.454 2.507 20 0 DFADHO C[N@H+](C[C@@H](O)CN1CCC[C@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591434 286162726 /nfs/dbraw/zinc/16/27/26/286162726.db2.gz FBGQTSQTMDJNDJ-HNAYVOBHSA-N 1 3 320.452 2.850 20 0 DFADHO C[N@@H+](C[C@@H](O)CN1CCC[C@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591434 286162729 /nfs/dbraw/zinc/16/27/29/286162729.db2.gz FBGQTSQTMDJNDJ-HNAYVOBHSA-N 1 3 320.452 2.850 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2CCc2ccccc2)CCN1C ZINC000372060086 150130407 /nfs/dbraw/zinc/13/04/07/150130407.db2.gz OUIVEBJLMIKVFL-MISYRCLQSA-N 1 3 315.505 2.766 20 0 DFADHO CN1CC[C@@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1cccs1 ZINC000372098240 150136999 /nfs/dbraw/zinc/13/69/99/150136999.db2.gz HXPZTXPAAJOXBR-WMLDXEAASA-N 1 3 323.506 2.766 20 0 DFADHO C[C@@H]([NH2+]CCc1cnccn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372355313 150166433 /nfs/dbraw/zinc/16/64/33/150166433.db2.gz LOTQDJORXWGBDV-AEFFLSMTSA-N 1 3 310.445 2.519 20 0 DFADHO C[C@@H](NCCc1cnccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372355313 150166434 /nfs/dbraw/zinc/16/64/34/150166434.db2.gz LOTQDJORXWGBDV-AEFFLSMTSA-N 1 3 310.445 2.519 20 0 DFADHO C[C@@H](NCCc1cnccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372355313 150166436 /nfs/dbraw/zinc/16/64/36/150166436.db2.gz LOTQDJORXWGBDV-AEFFLSMTSA-N 1 3 310.445 2.519 20 0 DFADHO CCc1ccccc1CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372459879 150175404 /nfs/dbraw/zinc/17/54/04/150175404.db2.gz KESUPVNLQCGNSV-HXUWFJFHSA-N 1 3 315.505 2.849 20 0 DFADHO CCc1ccccc1CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372459879 150175406 /nfs/dbraw/zinc/17/54/06/150175406.db2.gz KESUPVNLQCGNSV-HXUWFJFHSA-N 1 3 315.505 2.849 20 0 DFADHO Cc1sccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000351699655 286197261 /nfs/dbraw/zinc/19/72/61/286197261.db2.gz CJJARDYLIWRLMI-RHSMWYFYSA-N 1 3 307.507 2.514 20 0 DFADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000351779658 286216781 /nfs/dbraw/zinc/21/67/81/286216781.db2.gz CFGOZUWLPKICST-IXDOHACOSA-N 1 3 309.498 2.582 20 0 DFADHO CC[C@@H](C)CCC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000351805890 286222840 /nfs/dbraw/zinc/22/28/40/286222840.db2.gz DCEIUHOCQSGYGR-IAGOWNOFSA-N 1 3 311.514 2.687 20 0 DFADHO CC[C@@H](C)CCC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000351805890 286222842 /nfs/dbraw/zinc/22/28/42/286222842.db2.gz DCEIUHOCQSGYGR-IAGOWNOFSA-N 1 3 311.514 2.687 20 0 DFADHO CCOC(=O)C1(C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000351914768 286243327 /nfs/dbraw/zinc/24/33/27/286243327.db2.gz DRENRJIZLAOZMJ-NVXWUHKLSA-N 1 3 322.493 2.962 20 0 DFADHO Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000352114299 286295617 /nfs/dbraw/zinc/29/56/17/286295617.db2.gz WKZQFGGJVAYDEW-OAHLLOKOSA-N 1 3 310.445 2.661 20 0 DFADHO Cn1nccc1-c1ccccc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000352114299 286295621 /nfs/dbraw/zinc/29/56/21/286295621.db2.gz WKZQFGGJVAYDEW-OAHLLOKOSA-N 1 3 310.445 2.661 20 0 DFADHO Cn1nccc1-c1ccccc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000352114299 286295622 /nfs/dbraw/zinc/29/56/22/286295622.db2.gz WKZQFGGJVAYDEW-OAHLLOKOSA-N 1 3 310.445 2.661 20 0 DFADHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)C1(C(=O)OC)CCC1 ZINC000353339173 286617658 /nfs/dbraw/zinc/61/76/58/286617658.db2.gz VRFCUIQNHUBARL-HZPDHXFCSA-N 1 3 310.482 2.820 20 0 DFADHO CC(C)O[C@H]1C[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1(C)C ZINC000185227698 158049737 /nfs/dbraw/zinc/04/97/37/158049737.db2.gz ZMORAMHFOUEOQC-SZMVWBNQSA-N 1 3 324.509 2.669 20 0 DFADHO Cc1ncsc1CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246836787 158102194 /nfs/dbraw/zinc/10/21/94/158102194.db2.gz OMENHNSESDFHCT-HOCLYGCPSA-N 1 3 305.491 2.943 20 0 DFADHO Cc1ncsc1CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246836787 158102197 /nfs/dbraw/zinc/10/21/97/158102197.db2.gz OMENHNSESDFHCT-HOCLYGCPSA-N 1 3 305.491 2.943 20 0 DFADHO OCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000248446499 158177408 /nfs/dbraw/zinc/17/74/08/158177408.db2.gz COZZQGNWKIMAEB-IPMKNSEASA-N 1 3 314.473 2.649 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000343934827 158223832 /nfs/dbraw/zinc/22/38/32/158223832.db2.gz OOTFLAQQWRMREK-GDBMZVCRSA-N 1 3 309.429 2.640 20 0 DFADHO CCCN1CC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356871720 158317524 /nfs/dbraw/zinc/31/75/24/158317524.db2.gz OVVYGLYFZAAZIQ-CQSZACIVSA-N 1 3 321.431 2.725 20 0 DFADHO c1nn(-c2ccccc2)cc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357042678 158355110 /nfs/dbraw/zinc/35/51/10/158355110.db2.gz FTUCHPJZJCQCBT-GOSISDBHSA-N 1 3 310.445 2.694 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000357704124 158365522 /nfs/dbraw/zinc/36/55/22/158365522.db2.gz UGKWHNROKRVKLX-QGZVFWFLSA-N 1 3 320.477 2.623 20 0 DFADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496514180 300073756 /nfs/dbraw/zinc/07/37/56/300073756.db2.gz QNCQAYULRLBABF-RRFJBIMHSA-N 1 3 313.486 2.562 20 0 DFADHO C[C@@H](NC[C@H](C)C[NH+](C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496514180 300073759 /nfs/dbraw/zinc/07/37/59/300073759.db2.gz QNCQAYULRLBABF-RRFJBIMHSA-N 1 3 313.486 2.562 20 0 DFADHO [NH3+]CC1CCN(CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000430609147 296799876 /nfs/dbraw/zinc/79/98/76/296799876.db2.gz GYMOUNRJPCQMRM-UHFFFAOYSA-N 1 3 302.340 2.755 20 0 DFADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC([C@@H](C)[NH3+])CC1 ZINC000430952093 296814467 /nfs/dbraw/zinc/81/44/67/296814467.db2.gz XTISBFDCEULKHR-CRAIPNDOSA-N 1 3 317.477 2.655 20 0 DFADHO C[C@@H](O)CN(C[C@H]1CCC[NH2+]C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000261886935 287084476 /nfs/dbraw/zinc/08/44/76/287084476.db2.gz XBFWXKYDNYCSQH-INMHGKMJSA-N 1 3 324.896 2.953 20 0 DFADHO C[C@@H](O)C[N@H+](C[C@H]1CCCNC1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000261886935 287084481 /nfs/dbraw/zinc/08/44/81/287084481.db2.gz XBFWXKYDNYCSQH-INMHGKMJSA-N 1 3 324.896 2.953 20 0 DFADHO C[C@@H](O)C[N@@H+](C[C@H]1CCCNC1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000261886935 287084483 /nfs/dbraw/zinc/08/44/83/287084483.db2.gz XBFWXKYDNYCSQH-INMHGKMJSA-N 1 3 324.896 2.953 20 0 DFADHO C[C@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)N(C)C1CC1 ZINC000130728998 196104107 /nfs/dbraw/zinc/10/41/07/196104107.db2.gz YUAYXRVERHOGKT-CVEARBPZSA-N 1 3 319.493 2.760 20 0 DFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCS[C@@H](C)C2)CC1 ZINC000131394627 196165149 /nfs/dbraw/zinc/16/51/49/196165149.db2.gz LHOJVRLODHRNAC-INIZCTEOSA-N 1 3 319.518 2.766 20 0 DFADHO CCN1CCN(c2ccccc2C[N@H+]2CCS[C@@H](C)C2)CC1 ZINC000131394627 196165151 /nfs/dbraw/zinc/16/51/51/196165151.db2.gz LHOJVRLODHRNAC-INIZCTEOSA-N 1 3 319.518 2.766 20 0 DFADHO C[C@@H]1C[C@@H](N(C)CCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000131782775 196198886 /nfs/dbraw/zinc/19/88/86/196198886.db2.gz SAPYDSBSJNRROV-MJGOQNOKSA-N 1 3 312.461 2.868 20 0 DFADHO C[C@@H]1C[C@@H](N(C)CCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000131782775 196198888 /nfs/dbraw/zinc/19/88/88/196198888.db2.gz SAPYDSBSJNRROV-MJGOQNOKSA-N 1 3 312.461 2.868 20 0 DFADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCNC1 ZINC000132094208 196226078 /nfs/dbraw/zinc/22/60/78/196226078.db2.gz CFQPNFVOIAFCOI-JSGCOSHPSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H](Cc1ccc(Br)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000132094208 196226080 /nfs/dbraw/zinc/22/60/80/196226080.db2.gz CFQPNFVOIAFCOI-JSGCOSHPSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000353659756 287266636 /nfs/dbraw/zinc/26/66/36/287266636.db2.gz QOUOZBUCFVLJKB-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000353659756 287266639 /nfs/dbraw/zinc/26/66/39/287266639.db2.gz QOUOZBUCFVLJKB-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cc1ccccc1 ZINC000132168903 196232741 /nfs/dbraw/zinc/23/27/41/196232741.db2.gz HCXQCRZAYDWNOV-IBGZPJMESA-N 1 3 302.462 2.587 20 0 DFADHO CC[C@@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000133302303 196329094 /nfs/dbraw/zinc/32/90/94/196329094.db2.gz AMYDXYHIALEMNV-FVQBIDKESA-N 1 3 304.434 2.981 20 0 DFADHO CC[C@@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000133302303 196329097 /nfs/dbraw/zinc/32/90/97/196329097.db2.gz AMYDXYHIALEMNV-FVQBIDKESA-N 1 3 304.434 2.981 20 0 DFADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000368051551 287283776 /nfs/dbraw/zinc/28/37/76/287283776.db2.gz NPRUBKIBVFYDCJ-KZNAEPCWSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000368051551 287283778 /nfs/dbraw/zinc/28/37/78/287283778.db2.gz NPRUBKIBVFYDCJ-KZNAEPCWSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000246118473 287298037 /nfs/dbraw/zinc/29/80/37/287298037.db2.gz UTYVVQKTHSEEFR-BPQIPLTHSA-N 1 3 317.477 2.574 20 0 DFADHO COCCc1ccc(OC[C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000667860206 543693578 /nfs/dbraw/zinc/69/35/78/543693578.db2.gz JETMYSCKAVGVIO-FUHWJXTLSA-N 1 3 320.477 2.574 20 0 DFADHO COCCc1ccc(OC[C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000667860206 543693580 /nfs/dbraw/zinc/69/35/80/543693580.db2.gz JETMYSCKAVGVIO-FUHWJXTLSA-N 1 3 320.477 2.574 20 0 DFADHO C[N@H+](CCCNC(=O)Nc1cccc(CN)c1)C1CCCCC1 ZINC000667732182 543669386 /nfs/dbraw/zinc/66/93/86/543669386.db2.gz FCZZWFQKGWSDSA-UHFFFAOYSA-N 1 3 318.465 2.921 20 0 DFADHO C[N@@H+](CCCNC(=O)Nc1cccc(CN)c1)C1CCCCC1 ZINC000667732182 543669388 /nfs/dbraw/zinc/66/93/88/543669388.db2.gz FCZZWFQKGWSDSA-UHFFFAOYSA-N 1 3 318.465 2.921 20 0 DFADHO COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000668188415 543762852 /nfs/dbraw/zinc/76/28/52/543762852.db2.gz HQDOUXKRGYYVOP-LPHOPBHVSA-N 1 3 318.461 2.628 20 0 DFADHO COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000668188415 543762855 /nfs/dbraw/zinc/76/28/55/543762855.db2.gz HQDOUXKRGYYVOP-LPHOPBHVSA-N 1 3 318.461 2.628 20 0 DFADHO CC(C)(C)N1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000668459624 543809885 /nfs/dbraw/zinc/80/98/85/543809885.db2.gz WWPDPNBUVUIMDX-MRXNPFEDSA-N 1 3 302.466 2.513 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000671309026 544067034 /nfs/dbraw/zinc/06/70/34/544067034.db2.gz GDUPGUBRDSBKKK-RBUKOAKNSA-N 1 3 318.461 2.770 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000671309026 544067037 /nfs/dbraw/zinc/06/70/37/544067037.db2.gz GDUPGUBRDSBKKK-RBUKOAKNSA-N 1 3 318.461 2.770 20 0 DFADHO C[N@@H+]1CC[C@H](NCCN2CCCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000671743971 544105267 /nfs/dbraw/zinc/10/52/67/544105267.db2.gz KAVARJIRPOMHFU-CMKODMSKSA-N 1 3 313.489 2.902 20 0 DFADHO C[N@H+]1CC[C@H](NCCN2CCCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000671743971 544105269 /nfs/dbraw/zinc/10/52/69/544105269.db2.gz KAVARJIRPOMHFU-CMKODMSKSA-N 1 3 313.489 2.902 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671750354 544106642 /nfs/dbraw/zinc/10/66/42/544106642.db2.gz SQJDRIMKCUPUQC-OCCSQVGLSA-N 1 3 321.421 2.541 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671760566 544108099 /nfs/dbraw/zinc/10/80/99/544108099.db2.gz HYZGDRNXGACSBP-CYBMUJFWSA-N 1 3 321.421 2.542 20 0 DFADHO CN(C)Cc1ccccc1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000672741898 544149837 /nfs/dbraw/zinc/14/98/37/544149837.db2.gz LVXGJMUMFBAMAN-INIZCTEOSA-N 1 3 303.450 2.951 20 0 DFADHO CN(C)Cc1ccccc1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000672741898 544149840 /nfs/dbraw/zinc/14/98/40/544149840.db2.gz LVXGJMUMFBAMAN-INIZCTEOSA-N 1 3 303.450 2.951 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H]2CCCSC2)cc1 ZINC000673616144 544187062 /nfs/dbraw/zinc/18/70/62/544187062.db2.gz ARTBUHHVHUHCOV-INIZCTEOSA-N 1 3 308.491 2.860 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)c1 ZINC000290581128 221759467 /nfs/dbraw/zinc/75/94/67/221759467.db2.gz NUAUKQHNAIKVGM-IRXDYDNUSA-N 1 3 303.450 2.629 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)C1CCCC1 ZINC000674087750 544219160 /nfs/dbraw/zinc/21/91/60/544219160.db2.gz AIUKIBXDWMCJSM-FUHWJXTLSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)C1CCCC1 ZINC000674087750 544219162 /nfs/dbraw/zinc/21/91/62/544219162.db2.gz AIUKIBXDWMCJSM-FUHWJXTLSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H](Cc1ccncc1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000674089713 544219262 /nfs/dbraw/zinc/21/92/62/544219262.db2.gz ZRDSMDMLXSCUIL-INIZCTEOSA-N 1 3 313.445 2.743 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]CC2(CO)CCCCC2)cc1 ZINC000674375023 544237132 /nfs/dbraw/zinc/23/71/32/544237132.db2.gz BPEAJJKXHWHFPJ-UHFFFAOYSA-N 1 3 320.477 2.659 20 0 DFADHO CCc1nc(C)c([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)s1 ZINC000442864370 297208418 /nfs/dbraw/zinc/20/84/18/297208418.db2.gz CUKFLVSRLZSNQC-CYBMUJFWSA-N 1 3 324.538 2.691 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H](Cc2nccn2C)c2ccccc2)CC[N@@H+]1C ZINC000675920413 544344183 /nfs/dbraw/zinc/34/41/83/544344183.db2.gz KHGDRDNNNFCQQN-NXHRZFHOSA-N 1 3 312.461 2.776 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H](Cc2nccn2C)c2ccccc2)CC[N@H+]1C ZINC000675920413 544344185 /nfs/dbraw/zinc/34/41/85/544344185.db2.gz KHGDRDNNNFCQQN-NXHRZFHOSA-N 1 3 312.461 2.776 20 0 DFADHO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000676571143 544386185 /nfs/dbraw/zinc/38/61/85/544386185.db2.gz AMIGIJKMGUNWDU-SJLPKXTDSA-N 1 3 306.450 2.674 20 0 DFADHO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000676571144 544386225 /nfs/dbraw/zinc/38/62/25/544386225.db2.gz AMIGIJKMGUNWDU-WMZOPIPTSA-N 1 3 306.450 2.674 20 0 DFADHO COc1ccccc1OCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677242383 544457669 /nfs/dbraw/zinc/45/76/69/544457669.db2.gz ZMNZEIIKKAAOJE-HOTGVXAUSA-N 1 3 304.434 2.681 20 0 DFADHO COc1ccccc1OCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677242383 544457666 /nfs/dbraw/zinc/45/76/66/544457666.db2.gz ZMNZEIIKKAAOJE-HOTGVXAUSA-N 1 3 304.434 2.681 20 0 DFADHO C[N@@H+]1CCC[C@H](N2CCN(C[C@@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000678259081 544635166 /nfs/dbraw/zinc/63/51/66/544635166.db2.gz YPYTUFNPRRRALY-SLFFLAALSA-N 1 3 313.489 2.502 20 0 DFADHO C[N@H+]1CCC[C@H](N2CCN(C[C@@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000678259081 544635169 /nfs/dbraw/zinc/63/51/69/544635169.db2.gz YPYTUFNPRRRALY-SLFFLAALSA-N 1 3 313.489 2.502 20 0 DFADHO C[NH2+]CCC1CCN(Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000435381911 296958921 /nfs/dbraw/zinc/95/89/21/296958921.db2.gz YPEFUHHGBLKOCT-UHFFFAOYSA-N 1 3 302.422 2.800 20 0 DFADHO c1ccc2c(c1)OCC[C@H]2CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678277065 544641709 /nfs/dbraw/zinc/64/17/09/544641709.db2.gz PVBHLNMVGMQROD-SJORKVTESA-N 1 3 300.446 2.970 20 0 DFADHO c1ccc2c(c1)OCC[C@H]2C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000678277065 544641712 /nfs/dbraw/zinc/64/17/12/544641712.db2.gz PVBHLNMVGMQROD-SJORKVTESA-N 1 3 300.446 2.970 20 0 DFADHO c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000678277065 544641714 /nfs/dbraw/zinc/64/17/14/544641714.db2.gz PVBHLNMVGMQROD-SJORKVTESA-N 1 3 300.446 2.970 20 0 DFADHO Cc1cccc2c1[nH+]cc(C)c2N1CCN(CCO)C(C)(C)C1 ZINC000302550337 230293180 /nfs/dbraw/zinc/29/31/80/230293180.db2.gz QDIHEUZZBQYFID-UHFFFAOYSA-N 1 3 313.445 2.745 20 0 DFADHO Cc1cc(N(C)C2CCN(CCc3ccccn3)CC2)cc[nH+]1 ZINC000302656356 230335238 /nfs/dbraw/zinc/33/52/38/230335238.db2.gz ACRXTZFYWBKLSD-UHFFFAOYSA-N 1 3 310.445 2.928 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)N(CC)CC)CC1 ZINC000066960708 425907861 /nfs/dbraw/zinc/90/78/61/425907861.db2.gz VXOSFGYFOJUBRW-INIZCTEOSA-N 1 3 311.514 2.687 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)N(CC)CC)CC1 ZINC000066960708 425907862 /nfs/dbraw/zinc/90/78/62/425907862.db2.gz VXOSFGYFOJUBRW-INIZCTEOSA-N 1 3 311.514 2.687 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000155607553 425921364 /nfs/dbraw/zinc/92/13/64/425921364.db2.gz XZFRAKGKDARLQQ-WBVHZDCISA-N 1 3 319.518 2.839 20 0 DFADHO CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(C)C ZINC000124603545 425928818 /nfs/dbraw/zinc/92/88/18/425928818.db2.gz RDMBFPZVSKZFNR-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC[C@@H]1CCCN1C ZINC000124730435 425935241 /nfs/dbraw/zinc/93/52/41/425935241.db2.gz AXWUEFVYPVULAQ-WBVHZDCISA-N 1 3 313.449 2.744 20 0 DFADHO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000124730435 425935243 /nfs/dbraw/zinc/93/52/43/425935243.db2.gz AXWUEFVYPVULAQ-WBVHZDCISA-N 1 3 313.449 2.744 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000192666113 268044734 /nfs/dbraw/zinc/04/47/34/268044734.db2.gz IVTVORKWAHWPHQ-QGZVFWFLSA-N 1 3 305.466 2.664 20 0 DFADHO CCSCC[C@@H](C)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192771555 268048434 /nfs/dbraw/zinc/04/84/34/268048434.db2.gz HFNJLQHHOUROOD-QGZVFWFLSA-N 1 3 315.571 2.866 20 0 DFADHO CCSCC[C@@H](C)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192771555 268048436 /nfs/dbraw/zinc/04/84/36/268048436.db2.gz HFNJLQHHOUROOD-QGZVFWFLSA-N 1 3 315.571 2.866 20 0 DFADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000236943039 268152554 /nfs/dbraw/zinc/15/25/54/268152554.db2.gz KGINKHUPNQRKQA-NXHRZFHOSA-N 1 3 317.477 2.531 20 0 DFADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000237039113 268153546 /nfs/dbraw/zinc/15/35/46/268153546.db2.gz FKFUHUTYGVAARQ-MSOLQXFVSA-N 1 3 317.477 2.662 20 0 DFADHO CN(C)Cc1cccc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000237060565 268154163 /nfs/dbraw/zinc/15/41/63/268154163.db2.gz FQIKOSSGGUSLQO-DLBZAZTESA-N 1 3 303.450 2.984 20 0 DFADHO C[C@@H]1C[C@@H](NCCc2nc(-c3ccncc3)cs2)CC[N@@H+]1C ZINC000271520302 268249748 /nfs/dbraw/zinc/24/97/48/268249748.db2.gz QDGHUNVNTCRRRE-HIFRSBDPSA-N 1 3 316.474 2.820 20 0 DFADHO C[C@@H]1C[C@@H](NCCc2nc(-c3ccncc3)cs2)CC[N@H+]1C ZINC000271520302 268249750 /nfs/dbraw/zinc/24/97/50/268249750.db2.gz QDGHUNVNTCRRRE-HIFRSBDPSA-N 1 3 316.474 2.820 20 0 DFADHO C[C@H](CCNC[C@H](O)CC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000307935313 268334656 /nfs/dbraw/zinc/33/46/56/268334656.db2.gz DRVKMASVQNXIFG-UKRRQHHQSA-N 1 3 318.383 2.800 20 0 DFADHO C[C@H](CCNC[C@H](O)CC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000307935313 268334657 /nfs/dbraw/zinc/33/46/57/268334657.db2.gz DRVKMASVQNXIFG-UKRRQHHQSA-N 1 3 318.383 2.800 20 0 DFADHO CCC[C@H](CC)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000125908838 425995995 /nfs/dbraw/zinc/99/59/95/425995995.db2.gz RPXJHKANKRKUMJ-KRWDZBQOSA-N 1 3 305.466 2.646 20 0 DFADHO CCCCNC(=O)[C@H]1CC[C@H](C)N(CCC[NH+]2CCCCC2)C1 ZINC000125005610 425949576 /nfs/dbraw/zinc/94/95/76/425949576.db2.gz UGLVYIRWNYVDOH-ROUUACIJSA-N 1 3 323.525 2.879 20 0 DFADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000158889021 425950297 /nfs/dbraw/zinc/95/02/97/425950297.db2.gz YFZGNUNFOZFGOZ-WMLDXEAASA-N 1 3 303.450 2.855 20 0 DFADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000158889021 425950299 /nfs/dbraw/zinc/95/02/99/425950299.db2.gz YFZGNUNFOZFGOZ-WMLDXEAASA-N 1 3 303.450 2.855 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CC[C@@H]2CCOC2=O)CC1 ZINC000158976364 425950857 /nfs/dbraw/zinc/95/08/57/425950857.db2.gz YDTPKDKEJARDJA-FUHWJXTLSA-N 1 3 322.493 2.916 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CC[C@@H]2CCOC2=O)CC1 ZINC000158976364 425950860 /nfs/dbraw/zinc/95/08/60/425950860.db2.gz YDTPKDKEJARDJA-FUHWJXTLSA-N 1 3 322.493 2.916 20 0 DFADHO C[C@](O)(CN1CCC(CCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC000337172836 268466670 /nfs/dbraw/zinc/46/66/70/268466670.db2.gz FXJNZMCJWUZGRQ-HNNXBMFYSA-N 1 3 322.415 2.888 20 0 DFADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)Nc1cccc(Cl)c1 ZINC000070149956 425968888 /nfs/dbraw/zinc/96/88/88/425968888.db2.gz HVMZLJOPKCNXQH-HNNXBMFYSA-N 1 3 309.841 2.872 20 0 DFADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)Nc1ccccc1Cl ZINC000070149708 425968970 /nfs/dbraw/zinc/96/89/70/425968970.db2.gz IDLWCLNHZQLDQP-ZDUSSCGKSA-N 1 3 309.841 2.872 20 0 DFADHO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126654460 426029581 /nfs/dbraw/zinc/02/95/81/426029581.db2.gz FVRGPQHLKHCLSC-IAGOWNOFSA-N 1 3 303.494 2.958 20 0 DFADHO CCC[C@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)N(C)C ZINC000126862990 426039710 /nfs/dbraw/zinc/03/97/10/426039710.db2.gz XZNVIYLWOIYTDO-SJLPKXTDSA-N 1 3 319.493 2.744 20 0 DFADHO CCC[C@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000126862990 426039712 /nfs/dbraw/zinc/03/97/12/426039712.db2.gz XZNVIYLWOIYTDO-SJLPKXTDSA-N 1 3 319.493 2.744 20 0 DFADHO CCCN1CCC([N@H+](C)Cc2cccc(C(=O)OC)c2)CC1 ZINC000111241176 426040680 /nfs/dbraw/zinc/04/06/80/426040680.db2.gz WPLLNPUYGOPANN-UHFFFAOYSA-N 1 3 304.434 2.779 20 0 DFADHO CCCN1CCC([N@@H+](C)Cc2cccc(C(=O)OC)c2)CC1 ZINC000111241176 426040682 /nfs/dbraw/zinc/04/06/82/426040682.db2.gz WPLLNPUYGOPANN-UHFFFAOYSA-N 1 3 304.434 2.779 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000161872599 426042445 /nfs/dbraw/zinc/04/24/45/426042445.db2.gz QAMNNOVQIGJWBA-YCPHGPKFSA-N 1 3 304.434 2.666 20 0 DFADHO CC(=O)NC1CCC([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000161857468 426042983 /nfs/dbraw/zinc/04/29/83/426042983.db2.gz HNXSGCRFZLOQMR-SEEUUAMPSA-N 1 3 321.509 2.676 20 0 DFADHO COCCNc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000127086998 426050780 /nfs/dbraw/zinc/05/07/80/426050780.db2.gz HMBLZWLUMOKWCD-IIDMSEBBSA-N 1 3 305.466 2.563 20 0 DFADHO COCCNc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000127086998 426050783 /nfs/dbraw/zinc/05/07/83/426050783.db2.gz HMBLZWLUMOKWCD-IIDMSEBBSA-N 1 3 305.466 2.563 20 0 DFADHO COCCNc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000127087248 426050929 /nfs/dbraw/zinc/05/09/29/426050929.db2.gz HMBLZWLUMOKWCD-RVKKMQEKSA-N 1 3 305.466 2.563 20 0 DFADHO COCCNc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000127087248 426050931 /nfs/dbraw/zinc/05/09/31/426050931.db2.gz HMBLZWLUMOKWCD-RVKKMQEKSA-N 1 3 305.466 2.563 20 0 DFADHO C(CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)C[NH+]1CCCCC1 ZINC000162161721 426053873 /nfs/dbraw/zinc/05/38/73/426053873.db2.gz DKQTUJYWFYCVLG-INIZCTEOSA-N 1 3 317.481 2.738 20 0 DFADHO COc1cccc([C@@H](C)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000126469195 426020373 /nfs/dbraw/zinc/02/03/73/426020373.db2.gz PGWVRBZEQNNHRF-MRXNPFEDSA-N 1 3 319.493 2.714 20 0 DFADHO COc1cccc([C@@H](C)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000126469195 426020376 /nfs/dbraw/zinc/02/03/76/426020376.db2.gz PGWVRBZEQNNHRF-MRXNPFEDSA-N 1 3 319.493 2.714 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000075859932 426088539 /nfs/dbraw/zinc/08/85/39/426088539.db2.gz APHXSJGVZWJPDE-KRWDZBQOSA-N 1 3 321.440 2.961 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000075859932 426088543 /nfs/dbraw/zinc/08/85/43/426088543.db2.gz APHXSJGVZWJPDE-KRWDZBQOSA-N 1 3 321.440 2.961 20 0 DFADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCc3cnn(C)c3)CC2)C1 ZINC000127858145 426090303 /nfs/dbraw/zinc/09/03/03/426090303.db2.gz PCRVICWZHWGNEA-YJBOKZPZSA-N 1 3 304.482 2.595 20 0 DFADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCc3cnn(C)c3)CC2)C1 ZINC000127858145 426090306 /nfs/dbraw/zinc/09/03/06/426090306.db2.gz PCRVICWZHWGNEA-YJBOKZPZSA-N 1 3 304.482 2.595 20 0 DFADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCc2cnn(C)c2)CC1 ZINC000127932361 426093512 /nfs/dbraw/zinc/09/35/12/426093512.db2.gz RIXXJNZZBGCDJK-MAUKXSAKSA-N 1 3 304.482 2.595 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000163228783 426093638 /nfs/dbraw/zinc/09/36/38/426093638.db2.gz CRHSPTZXUMDRRK-GJZGRUSLSA-N 1 3 317.433 2.636 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000163234834 426094339 /nfs/dbraw/zinc/09/43/39/426094339.db2.gz WCGFCDCZVMAXAB-KBPBESRZSA-N 1 3 315.461 2.909 20 0 DFADHO Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@@H]3CCCN3C)C2)n1 ZINC000163461653 426101014 /nfs/dbraw/zinc/10/10/14/426101014.db2.gz AXDYKRBAGZXKHG-IRXDYDNUSA-N 1 3 302.466 2.608 20 0 DFADHO Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCCN3C)C2)n1 ZINC000163461653 426101017 /nfs/dbraw/zinc/10/10/17/426101017.db2.gz AXDYKRBAGZXKHG-IRXDYDNUSA-N 1 3 302.466 2.608 20 0 DFADHO Cc1cccc(NC[C@@H]2CCN(CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000163461653 426101019 /nfs/dbraw/zinc/10/10/19/426101019.db2.gz AXDYKRBAGZXKHG-IRXDYDNUSA-N 1 3 302.466 2.608 20 0 DFADHO Cc1cccc(NC[C@@H]2CCN(CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000163461653 426101021 /nfs/dbraw/zinc/10/10/21/426101021.db2.gz AXDYKRBAGZXKHG-IRXDYDNUSA-N 1 3 302.466 2.608 20 0 DFADHO C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)CN1CCCC1 ZINC000165334616 426121691 /nfs/dbraw/zinc/12/16/91/426121691.db2.gz AAMNFSJJSVUFTK-CVEARBPZSA-N 1 3 313.449 2.650 20 0 DFADHO COC[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C(C)C ZINC000165329803 426122205 /nfs/dbraw/zinc/12/22/05/426122205.db2.gz IDLCDQKPUQEHLV-RTBURBONSA-N 1 3 304.478 2.812 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCOC1 ZINC000165298893 426122445 /nfs/dbraw/zinc/12/24/45/426122445.db2.gz NADBBPJWJOTMEA-NZSAHSFTSA-N 1 3 302.462 2.566 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(F)cc1 ZINC000128570223 426123909 /nfs/dbraw/zinc/12/39/09/426123909.db2.gz TWSXYLILALGJLT-SFHVURJKSA-N 1 3 307.457 2.894 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000166352383 426126731 /nfs/dbraw/zinc/12/67/31/426126731.db2.gz PJKHYMALLWUQMU-JZXOWHBKSA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000166352383 426126734 /nfs/dbraw/zinc/12/67/34/426126734.db2.gz PJKHYMALLWUQMU-JZXOWHBKSA-N 1 3 317.477 2.559 20 0 DFADHO CCN1CCN(CCC[NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000127589048 426075596 /nfs/dbraw/zinc/07/55/96/426075596.db2.gz DNLQQMOECBIENY-MRXNPFEDSA-N 1 3 307.457 2.546 20 0 DFADHO Cc1ccn(-c2ccccc2CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000127677854 426080046 /nfs/dbraw/zinc/08/00/46/426080046.db2.gz ROIGBNSOMXBDKS-YXJHDRRASA-N 1 3 312.461 2.999 20 0 DFADHO Cc1ccn(-c2ccccc2CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000127677854 426080048 /nfs/dbraw/zinc/08/00/48/426080048.db2.gz ROIGBNSOMXBDKS-YXJHDRRASA-N 1 3 312.461 2.999 20 0 DFADHO CCN(C)C(=O)CC[N@H+](C)C1CCN(C2CCC(C)CC2)CC1 ZINC000130289094 426154025 /nfs/dbraw/zinc/15/40/25/426154025.db2.gz AWPDSGABPXTUPM-UHFFFAOYSA-N 1 3 323.525 2.830 20 0 DFADHO CCN(C)C(=O)CC[N@@H+](C)C1CCN(C2CCC(C)CC2)CC1 ZINC000130289094 426154026 /nfs/dbraw/zinc/15/40/26/426154026.db2.gz AWPDSGABPXTUPM-UHFFFAOYSA-N 1 3 323.525 2.830 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@]1(CC)CCC[NH2+]1)c1ccsc1 ZINC000134568196 426188575 /nfs/dbraw/zinc/18/85/75/426188575.db2.gz IBQOUXGHVSLDOX-WBVHZDCISA-N 1 3 323.506 2.779 20 0 DFADHO CC[C@]1(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000134595319 426189473 /nfs/dbraw/zinc/18/94/73/426189473.db2.gz FLWXGMCIKIHNQI-HNAYVOBHSA-N 1 3 317.477 2.764 20 0 DFADHO CC[C@@]1(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000134595335 426190017 /nfs/dbraw/zinc/19/00/17/426190017.db2.gz FLWXGMCIKIHNQI-KXBFYZLASA-N 1 3 317.477 2.764 20 0 DFADHO O[C@@H](CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000134899878 426199762 /nfs/dbraw/zinc/19/97/62/426199762.db2.gz LVKRIKHFMKWDBV-QRQLOZEOSA-N 1 3 300.446 2.669 20 0 DFADHO O[C@@H](CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000134899878 426199763 /nfs/dbraw/zinc/19/97/63/426199763.db2.gz LVKRIKHFMKWDBV-QRQLOZEOSA-N 1 3 300.446 2.669 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CCN1C ZINC000119101538 426262272 /nfs/dbraw/zinc/26/22/72/426262272.db2.gz XVZXXVMGTVPMBD-NEWSRXKRSA-N 1 3 301.478 2.723 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CCN1C ZINC000119101341 426262735 /nfs/dbraw/zinc/26/27/35/426262735.db2.gz XVZXXVMGTVPMBD-QRQLOZEOSA-N 1 3 301.478 2.723 20 0 DFADHO Cc1cccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c1C ZINC000150955440 426269618 /nfs/dbraw/zinc/26/96/18/426269618.db2.gz BEUVTZVSLSJVNI-QGZVFWFLSA-N 1 3 303.494 2.980 20 0 DFADHO C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)C(C)(C)C[NH+](C)C ZINC000119268775 426273374 /nfs/dbraw/zinc/27/33/74/426273374.db2.gz CVYKULADLXWTNB-CQSZACIVSA-N 1 3 320.481 2.846 20 0 DFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](N)c1ccccc1 ZINC000119583497 426298635 /nfs/dbraw/zinc/29/86/35/426298635.db2.gz PETLTVKEKJJKBN-MSOLQXFVSA-N 1 3 317.477 2.847 20 0 DFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](N)c1ccccc1 ZINC000119583497 426298638 /nfs/dbraw/zinc/29/86/38/426298638.db2.gz PETLTVKEKJJKBN-MSOLQXFVSA-N 1 3 317.477 2.847 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)N(C)C ZINC000151547140 426300996 /nfs/dbraw/zinc/30/09/96/426300996.db2.gz PGSBRMBXXDZTPM-QZTJIDSGSA-N 1 3 323.525 2.543 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1nc2c(s1)CCCC2 ZINC000089667506 426301538 /nfs/dbraw/zinc/30/15/38/426301538.db2.gz OOKCQJOXKQSVPZ-IPYPFGDCSA-N 1 3 307.507 2.883 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1nc2c(s1)CCCC2 ZINC000089667506 426301540 /nfs/dbraw/zinc/30/15/40/426301540.db2.gz OOKCQJOXKQSVPZ-IPYPFGDCSA-N 1 3 307.507 2.883 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000121234461 426327807 /nfs/dbraw/zinc/32/78/07/426327807.db2.gz WOVZUGXDNJEFTM-FUHIMQAGSA-N 1 3 315.505 2.969 20 0 DFADHO CCC[NH+](CCC)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000175872132 426335241 /nfs/dbraw/zinc/33/52/41/426335241.db2.gz ISXGZVHOUZYBHV-KRWDZBQOSA-N 1 3 305.466 2.528 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000122829786 426397828 /nfs/dbraw/zinc/39/78/28/426397828.db2.gz VZPLBBDPJQJQSF-ZNMIVQPWSA-N 1 3 313.486 2.608 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000122829786 426397830 /nfs/dbraw/zinc/39/78/30/426397830.db2.gz VZPLBBDPJQJQSF-ZNMIVQPWSA-N 1 3 313.486 2.608 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000153652675 426398303 /nfs/dbraw/zinc/39/83/03/426398303.db2.gz WHQOIFBNODZXPS-JKIFEVAISA-N 1 3 316.424 2.830 20 0 DFADHO CC[C@@H](NCCC[N@H+](C)CCOC)c1ccc2c(c1)CCO2 ZINC000153755953 426404018 /nfs/dbraw/zinc/40/40/18/426404018.db2.gz RWFUFXUGUQRKFS-QGZVFWFLSA-N 1 3 306.450 2.631 20 0 DFADHO CC[C@@H](NCCC[N@@H+](C)CCOC)c1ccc2c(c1)CCO2 ZINC000153755953 426404021 /nfs/dbraw/zinc/40/40/21/426404021.db2.gz RWFUFXUGUQRKFS-QGZVFWFLSA-N 1 3 306.450 2.631 20 0 DFADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCCO2 ZINC000152380700 426341730 /nfs/dbraw/zinc/34/17/30/426341730.db2.gz MJXLUYAUGBIDDZ-RDTXWAMCSA-N 1 3 316.445 2.983 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000122159441 426361946 /nfs/dbraw/zinc/36/19/46/426361946.db2.gz OANSUNDQWSSHDC-YJBOKZPZSA-N 1 3 315.461 2.624 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)N(C)C ZINC000153832185 426409527 /nfs/dbraw/zinc/40/95/27/426409527.db2.gz VVAFHRYXJOCZCM-SFHVURJKSA-N 1 3 323.525 2.687 20 0 DFADHO C[NH+](C)CCCC1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000123288884 426424999 /nfs/dbraw/zinc/42/49/99/426424999.db2.gz IFIZMDKFUXUUSZ-UHFFFAOYSA-N 1 3 313.486 2.565 20 0 DFADHO CC(C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000340469542 268978700 /nfs/dbraw/zinc/97/87/00/268978700.db2.gz KMLPBMKGNLTKRY-SFHVURJKSA-N 1 3 302.462 2.913 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000154262017 426432173 /nfs/dbraw/zinc/43/21/73/426432173.db2.gz NSGTWKDOMFAMRL-SFHVURJKSA-N 1 3 303.494 2.982 20 0 DFADHO CNC(=O)c1cccc(CN2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123564150 426440656 /nfs/dbraw/zinc/44/06/56/426440656.db2.gz WKTMOLAZUTXSOW-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000123584586 426441933 /nfs/dbraw/zinc/44/19/33/426441933.db2.gz VLNQQCVIKDRWGE-CRAIPNDOSA-N 1 3 308.466 2.685 20 0 DFADHO C[C@@]1(CN(CCCO)[C@H]2CCCc3ccccc32)CC[NH2+]C1 ZINC000340700971 269001134 /nfs/dbraw/zinc/00/11/34/269001134.db2.gz KDRYUINXRNNZPK-RBUKOAKNSA-N 1 3 302.462 2.748 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCCCC1 ZINC000341000022 269035721 /nfs/dbraw/zinc/03/57/21/269035721.db2.gz HIABYDDTUOPNIC-QZTJIDSGSA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000341068938 269038039 /nfs/dbraw/zinc/03/80/39/269038039.db2.gz ZDKLSLWNFQGTPO-QFBILLFUSA-N 1 3 304.478 2.992 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cccc(OC)c2)CC1 ZINC000177213199 426455881 /nfs/dbraw/zinc/45/58/81/426455881.db2.gz ITRUXNQWCMKPTO-KRWDZBQOSA-N 1 3 319.493 2.764 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cccc(OC)c2)CC1 ZINC000177213217 426456005 /nfs/dbraw/zinc/45/60/05/426456005.db2.gz ITRUXNQWCMKPTO-QGZVFWFLSA-N 1 3 319.493 2.764 20 0 DFADHO COc1cccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000177351957 426471520 /nfs/dbraw/zinc/47/15/20/426471520.db2.gz QPAMSPYIDCSVAJ-CVEARBPZSA-N 1 3 318.461 2.847 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(COC)c2)C1 ZINC000124171153 426473895 /nfs/dbraw/zinc/47/38/95/426473895.db2.gz YEYCBOAIATVNRP-GJZGRUSLSA-N 1 3 306.450 2.834 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000124167257 426474000 /nfs/dbraw/zinc/47/40/00/426474000.db2.gz YNDVWOWOSZUSLX-RBUKOAKNSA-N 1 3 301.478 2.582 20 0 DFADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000124167257 426474001 /nfs/dbraw/zinc/47/40/01/426474001.db2.gz YNDVWOWOSZUSLX-RBUKOAKNSA-N 1 3 301.478 2.582 20 0 DFADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000124167257 426474002 /nfs/dbraw/zinc/47/40/02/426474002.db2.gz YNDVWOWOSZUSLX-RBUKOAKNSA-N 1 3 301.478 2.582 20 0 DFADHO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000124381598 426482849 /nfs/dbraw/zinc/48/28/49/426482849.db2.gz HZKHQUCHEIXNPG-ZIAGYGMSSA-N 1 3 304.434 2.839 20 0 DFADHO C[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000101648905 426485626 /nfs/dbraw/zinc/48/56/26/426485626.db2.gz AIDROUOLONDNSG-ZNMIVQPWSA-N 1 3 309.498 2.627 20 0 DFADHO C[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)N1[C@H](C)CC[C@H]1C ZINC000101639519 426485744 /nfs/dbraw/zinc/48/57/44/426485744.db2.gz HOSVSTHAZHXAHR-OAGGEKHMSA-N 1 3 317.477 2.626 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272395603 426515528 /nfs/dbraw/zinc/51/55/28/426515528.db2.gz DGPPHVKTBMFAJU-AZUAARDMSA-N 1 3 315.505 2.973 20 0 DFADHO C[C@@H]1OCC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272456129 426529822 /nfs/dbraw/zinc/52/98/22/426529822.db2.gz XCNQNKFNMJDUGX-UJCHZGTJSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@@H]1OCC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272456129 426529827 /nfs/dbraw/zinc/52/98/27/426529827.db2.gz XCNQNKFNMJDUGX-UJCHZGTJSA-N 1 3 300.446 2.949 20 0 DFADHO Cc1nnc(CC[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)[nH]1 ZINC000272523761 426546883 /nfs/dbraw/zinc/54/68/83/426546883.db2.gz IFUMESRSQIXNPI-LBPRGKRZSA-N 1 3 310.405 2.501 20 0 DFADHO C[NH+]1CCC(C)(CNCc2c(Cl)nc3ccccn32)CC1 ZINC000272537037 426550898 /nfs/dbraw/zinc/55/08/98/426550898.db2.gz KQPOIJRLUBJJKQ-UHFFFAOYSA-N 1 3 306.841 2.809 20 0 DFADHO CCN(CC)CC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272365338 426506028 /nfs/dbraw/zinc/50/60/28/426506028.db2.gz OBBSNNPJHVJEHH-PKOBYXMFSA-N 1 3 303.494 2.828 20 0 DFADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1cn[nH]c1 ZINC000272602685 426570316 /nfs/dbraw/zinc/57/03/16/426570316.db2.gz URUICGMQZVVDJR-IAAVTCLWSA-N 1 3 310.445 2.971 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)NC1CC[NH+](CC2CCCC2)CC1 ZINC000178159989 426579974 /nfs/dbraw/zinc/57/99/74/426579974.db2.gz USZKOMLMHJPQBV-INIZCTEOSA-N 1 3 323.525 2.878 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000178159989 426579978 /nfs/dbraw/zinc/57/99/78/426579978.db2.gz USZKOMLMHJPQBV-INIZCTEOSA-N 1 3 323.525 2.878 20 0 DFADHO COc1cc(C[NH2+]C2CCN(C3CCC3)CC2)cc(OC)c1O ZINC000289156547 426595188 /nfs/dbraw/zinc/59/51/88/426595188.db2.gz DHQYKEBKVFHIGQ-UHFFFAOYSA-N 1 3 320.433 2.516 20 0 DFADHO C[C@H]1CN(CC2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)C[C@H](C)O1 ZINC000186927893 426609408 /nfs/dbraw/zinc/60/94/08/426609408.db2.gz GKHGVYZBVCBQIK-BQFCYCMXSA-N 1 3 324.509 2.765 20 0 DFADHO c1ccc2c(c1)[nH+]ccc2N1CCN(C[C@H]2CCCCO2)CC1 ZINC000289389532 426646138 /nfs/dbraw/zinc/64/61/38/426646138.db2.gz QTCPHMZWEILXCQ-MRXNPFEDSA-N 1 3 311.429 2.926 20 0 DFADHO Cc1cccc(C)c1C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000289398978 426648099 /nfs/dbraw/zinc/64/80/99/426648099.db2.gz GFTRFEFYTWVQRI-UHFFFAOYSA-N 1 3 315.505 2.763 20 0 DFADHO CCc1ccc([C@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)N(C)C)cc1 ZINC000236980638 426686667 /nfs/dbraw/zinc/68/66/67/426686667.db2.gz WYNFWSHFZKKBKM-PKOBYXMFSA-N 1 3 317.477 2.500 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000178411628 426624685 /nfs/dbraw/zinc/62/46/85/426624685.db2.gz GTESIJVMIBZILV-CQSZACIVSA-N 1 3 301.434 2.708 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000290134146 426700976 /nfs/dbraw/zinc/70/09/76/426700976.db2.gz MAMFKOSCDSVLNW-NVXWUHKLSA-N 1 3 303.450 2.629 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000290274253 426730069 /nfs/dbraw/zinc/73/00/69/426730069.db2.gz YTOQLVXHKZZRQA-OIISXLGYSA-N 1 3 317.477 2.620 20 0 DFADHO Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@H]3CCCN3C)C2)n1 ZINC000245575647 426752327 /nfs/dbraw/zinc/75/23/27/426752327.db2.gz AXDYKRBAGZXKHG-IAGOWNOFSA-N 1 3 302.466 2.608 20 0 DFADHO Cc1cccc(NC[C@H]2CC[N@H+](CC[C@H]3CCCN3C)C2)n1 ZINC000245575647 426752332 /nfs/dbraw/zinc/75/23/32/426752332.db2.gz AXDYKRBAGZXKHG-IAGOWNOFSA-N 1 3 302.466 2.608 20 0 DFADHO Cc1cccc(NC[C@H]2CCN(CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000245575647 426752335 /nfs/dbraw/zinc/75/23/35/426752335.db2.gz AXDYKRBAGZXKHG-IAGOWNOFSA-N 1 3 302.466 2.608 20 0 DFADHO Cc1cccc(NC[C@H]2CCN(CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000245575647 426752340 /nfs/dbraw/zinc/75/23/40/426752340.db2.gz AXDYKRBAGZXKHG-IAGOWNOFSA-N 1 3 302.466 2.608 20 0 DFADHO CC(C)[C@@H](CO)N(CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000245704243 426765029 /nfs/dbraw/zinc/76/50/29/426765029.db2.gz RVHFJGRQJGGJHM-RTBURBONSA-N 1 3 304.478 2.990 20 0 DFADHO CC(C)[C@@H](CO)N(CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000245704243 426765032 /nfs/dbraw/zinc/76/50/32/426765032.db2.gz RVHFJGRQJGGJHM-RTBURBONSA-N 1 3 304.478 2.990 20 0 DFADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000290679908 426817932 /nfs/dbraw/zinc/81/79/32/426817932.db2.gz HRXFRWYECGELJL-UOVPBQLFSA-N 1 3 317.477 2.524 20 0 DFADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000290679908 426817935 /nfs/dbraw/zinc/81/79/35/426817935.db2.gz HRXFRWYECGELJL-UOVPBQLFSA-N 1 3 317.477 2.524 20 0 DFADHO COc1c(Br)cccc1CNCCCC[NH+](C)C ZINC000274728954 426826584 /nfs/dbraw/zinc/82/65/84/426826584.db2.gz AMPGQBFBABAAKS-UHFFFAOYSA-N 1 3 315.255 2.889 20 0 DFADHO CCn1nccc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000180039093 426830290 /nfs/dbraw/zinc/83/02/90/426830290.db2.gz QAURUDHDFNPGKT-UHFFFAOYSA-N 1 3 304.482 2.991 20 0 DFADHO CC(C)[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180148802 426838652 /nfs/dbraw/zinc/83/86/52/426838652.db2.gz QUJGJYCYXJYEOA-XVLXNVKGSA-N 1 3 302.462 2.789 20 0 DFADHO CC(C)[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180148802 426838655 /nfs/dbraw/zinc/83/86/55/426838655.db2.gz QUJGJYCYXJYEOA-XVLXNVKGSA-N 1 3 302.462 2.789 20 0 DFADHO CCc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282145462 426838866 /nfs/dbraw/zinc/83/88/66/426838866.db2.gz CJBVZEHLDOCCRN-INIZCTEOSA-N 1 3 303.494 2.926 20 0 DFADHO c1ccc2c(c1)nccc2N1CCC(C[NH+]2CCOCC2)CC1 ZINC000267187025 426839401 /nfs/dbraw/zinc/83/94/01/426839401.db2.gz GOWXTEQGSQEKDD-UHFFFAOYSA-N 1 3 311.429 2.783 20 0 DFADHO C[NH2+]Cc1ccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)cc1 ZINC000295188893 426855873 /nfs/dbraw/zinc/85/58/73/426855873.db2.gz IPLVYEBDTPZYII-QGZVFWFLSA-N 1 3 303.450 2.855 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CCCc3ccccc32)CC1(C)C ZINC000282255634 426865295 /nfs/dbraw/zinc/86/52/95/426865295.db2.gz JSEJTQWHMDNLRN-SFHVURJKSA-N 1 3 301.478 2.680 20 0 DFADHO Cc1cc(C)cc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282349998 426890120 /nfs/dbraw/zinc/89/01/20/426890120.db2.gz PEUPBKCLVRRTHC-KRWDZBQOSA-N 1 3 303.494 2.980 20 0 DFADHO CC(C)c1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282380040 426896080 /nfs/dbraw/zinc/89/60/80/426896080.db2.gz OKTCWBIWVSGMMA-UHFFFAOYSA-N 1 3 303.494 2.926 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@H](C)C2 ZINC000282397566 426901074 /nfs/dbraw/zinc/90/10/74/426901074.db2.gz RLWPLWAPKIEHDT-VQIMIIECSA-N 1 3 315.505 2.844 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000247995160 426970295 /nfs/dbraw/zinc/97/02/95/426970295.db2.gz JVPHIVISLZFTGN-LFGUQSLTSA-N 1 3 315.505 2.969 20 0 DFADHO COc1ccc([C@@H](C)NCCCC[N@@H+]2CCC[C@H]2CO)c(F)c1 ZINC000247991364 426970909 /nfs/dbraw/zinc/97/09/09/426970909.db2.gz JLNRNVBVMQOZHZ-CABCVRRESA-N 1 3 324.440 2.722 20 0 DFADHO COc1ccc([C@@H](C)NCCCC[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000247991364 426970914 /nfs/dbraw/zinc/97/09/14/426970914.db2.gz JLNRNVBVMQOZHZ-CABCVRRESA-N 1 3 324.440 2.722 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(C(=O)C(C)(C)C)CC1 ZINC000321967269 426972266 /nfs/dbraw/zinc/97/22/66/426972266.db2.gz NPYVBLHXVGVOEL-RDJZCZTQSA-N 1 3 323.525 2.924 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@@]2(O)CCc3ccccc32)CC1 ZINC000181670655 426972697 /nfs/dbraw/zinc/97/26/97/426972697.db2.gz ITNWLOLANWUWJC-IBGZPJMESA-N 1 3 302.462 2.673 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@]2(O)CCc3ccccc32)CC1 ZINC000181670633 426973614 /nfs/dbraw/zinc/97/36/14/426973614.db2.gz ITNWLOLANWUWJC-LJQANCHMSA-N 1 3 302.462 2.673 20 0 DFADHO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000291623089 426932202 /nfs/dbraw/zinc/93/22/02/426932202.db2.gz HBFCNFCVKXARMC-BEFAXECRSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)CN1CCCCC1 ZINC000315598340 426938702 /nfs/dbraw/zinc/93/87/02/426938702.db2.gz PEKSFNXCSRAJLK-MCIONIFRSA-N 1 3 308.388 2.808 20 0 DFADHO c1cc(N2CCC(C[NH2+][C@@H]3CCOC4(CCC4)C3)CC2)ccn1 ZINC000295557355 427004800 /nfs/dbraw/zinc/00/48/00/427004800.db2.gz YWCKTJFMABFUMQ-QGZVFWFLSA-N 1 3 315.461 2.989 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248455112 427004855 /nfs/dbraw/zinc/00/48/55/427004855.db2.gz HSHYUOHEACEXJJ-BRIYLRKRSA-N 1 3 314.473 2.646 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248455112 427004861 /nfs/dbraw/zinc/00/48/61/427004861.db2.gz HSHYUOHEACEXJJ-BRIYLRKRSA-N 1 3 314.473 2.646 20 0 DFADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248455112 427004867 /nfs/dbraw/zinc/00/48/67/427004867.db2.gz HSHYUOHEACEXJJ-BRIYLRKRSA-N 1 3 314.473 2.646 20 0 DFADHO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)[C@@H]1CCCN(C2CCC2)C1 ZINC000248553650 427014223 /nfs/dbraw/zinc/01/42/23/427014223.db2.gz HMFHDOJPXZBETO-YDGZCJQPSA-N 1 3 314.473 2.887 20 0 DFADHO C[C@H](NC[C@@H](O)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248592998 427018006 /nfs/dbraw/zinc/01/80/06/427018006.db2.gz RULDFLQLFMDPOL-QRFRQXIXSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@H](NC[C@@H](O)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248592998 427018015 /nfs/dbraw/zinc/01/80/15/427018015.db2.gz RULDFLQLFMDPOL-QRFRQXIXSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000248592998 427018023 /nfs/dbraw/zinc/01/80/23/427018023.db2.gz RULDFLQLFMDPOL-QRFRQXIXSA-N 1 3 316.489 2.833 20 0 DFADHO O[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000182414031 427071445 /nfs/dbraw/zinc/07/14/45/427071445.db2.gz LTJZAKCUCRPPCO-UXHICEINSA-N 1 3 316.489 2.788 20 0 DFADHO O[C@@H](CCc1ccccc1)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000182414031 427071453 /nfs/dbraw/zinc/07/14/53/427071453.db2.gz LTJZAKCUCRPPCO-UXHICEINSA-N 1 3 316.489 2.788 20 0 DFADHO CC[C@@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)N(C)C ZINC000268709507 427098537 /nfs/dbraw/zinc/09/85/37/427098537.db2.gz CREKEQRFRKJYNA-ZBFHGGJFSA-N 1 3 305.466 2.572 20 0 DFADHO C[C@H](C(=O)NCCC[NH+]1CCCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000338029771 427099854 /nfs/dbraw/zinc/09/98/54/427099854.db2.gz OYLFRQURXYACRH-IXDOHACOSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CC[C@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000249274612 427100969 /nfs/dbraw/zinc/10/09/69/427100969.db2.gz JTFUIEIKABOBRH-ZIFCJYIRSA-N 1 3 324.509 2.767 20 0 DFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000338046830 427110915 /nfs/dbraw/zinc/11/09/15/427110915.db2.gz LNRWEJUEUQZZMR-MULDDASSSA-N 1 3 323.525 2.730 20 0 DFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000338046830 427110919 /nfs/dbraw/zinc/11/09/19/427110919.db2.gz LNRWEJUEUQZZMR-MULDDASSSA-N 1 3 323.525 2.730 20 0 DFADHO COCC[N@H+](C)CCCN[C@H](C)c1cccc(OC(F)F)c1 ZINC000268809907 427125742 /nfs/dbraw/zinc/12/57/42/427125742.db2.gz KNYHITGYSKASLE-CYBMUJFWSA-N 1 3 316.392 2.907 20 0 DFADHO COCC[N@@H+](C)CCCN[C@H](C)c1cccc(OC(F)F)c1 ZINC000268809907 427125744 /nfs/dbraw/zinc/12/57/44/427125744.db2.gz KNYHITGYSKASLE-CYBMUJFWSA-N 1 3 316.392 2.907 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000292034487 427063848 /nfs/dbraw/zinc/06/38/48/427063848.db2.gz HFXJWOYVUYVPEB-NVXWUHKLSA-N 1 3 317.477 2.764 20 0 DFADHO C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000296295564 427141069 /nfs/dbraw/zinc/14/10/69/427141069.db2.gz FPZZMDILQSFGQD-GJZGRUSLSA-N 1 3 308.466 2.827 20 0 DFADHO CCC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OC)cc1 ZINC000268981758 427142474 /nfs/dbraw/zinc/14/24/74/427142474.db2.gz KTWSLVFOTFPXLR-KRWDZBQOSA-N 1 3 306.450 2.583 20 0 DFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000249747251 427142806 /nfs/dbraw/zinc/14/28/06/427142806.db2.gz OHDAABJCWFXIJV-CVEARBPZSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000249747251 427142810 /nfs/dbraw/zinc/14/28/10/427142810.db2.gz OHDAABJCWFXIJV-CVEARBPZSA-N 1 3 317.477 2.598 20 0 DFADHO C[C@H](CCCO)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000296327543 427150186 /nfs/dbraw/zinc/15/01/86/427150186.db2.gz HCPSQJNIKMLDAH-HZPDHXFCSA-N 1 3 308.466 2.686 20 0 DFADHO CC(C)[NH+](CCCNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)C(C)C ZINC000174097685 271126720 /nfs/dbraw/zinc/12/67/20/271126720.db2.gz CUXOCBVJEXLEFE-ULQDDVLXSA-N 1 3 311.514 2.873 20 0 DFADHO [NH3+]Cc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000237987667 271254471 /nfs/dbraw/zinc/25/44/71/271254471.db2.gz SCNBBDJGZVZISH-LJQANCHMSA-N 1 3 323.440 2.712 20 0 DFADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)c2ccccc2F)CC1 ZINC000264309064 271272581 /nfs/dbraw/zinc/27/25/81/271272581.db2.gz ZJDQJWVGWJQQFK-GJZGRUSLSA-N 1 3 308.441 2.911 20 0 DFADHO CN(CCc1ccc2c(c1)CCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285617924 271342125 /nfs/dbraw/zinc/34/21/25/271342125.db2.gz WIDUGFIMBVUFNS-JWTNVVGKSA-N 1 3 300.446 2.721 20 0 DFADHO CN(CCc1ccc2c(c1)CCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285617924 271342127 /nfs/dbraw/zinc/34/21/27/271342127.db2.gz WIDUGFIMBVUFNS-JWTNVVGKSA-N 1 3 300.446 2.721 20 0 DFADHO C(N[C@@H]1CCCCC12CCCC2)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333643934 271383141 /nfs/dbraw/zinc/38/31/41/271383141.db2.gz XSOOMRZUBZJWDB-OAHLLOKOSA-N 1 3 317.481 2.864 20 0 DFADHO c1ccc(C[C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)c2cccnc2)nc1 ZINC000338195009 427186724 /nfs/dbraw/zinc/18/67/24/427186724.db2.gz KDGTZMVSVCFIOW-JXFKEZNVSA-N 1 3 322.456 2.834 20 0 DFADHO CCOCC[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183130037 427207145 /nfs/dbraw/zinc/20/71/45/427207145.db2.gz AOALRBVAGMHLFR-FHWLQOOXSA-N 1 3 302.462 2.913 20 0 DFADHO CCOCCN[C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130037 427207148 /nfs/dbraw/zinc/20/71/48/427207148.db2.gz AOALRBVAGMHLFR-FHWLQOOXSA-N 1 3 302.462 2.913 20 0 DFADHO CCOCCN[C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130037 427207154 /nfs/dbraw/zinc/20/71/54/427207154.db2.gz AOALRBVAGMHLFR-FHWLQOOXSA-N 1 3 302.462 2.913 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000253554258 427214913 /nfs/dbraw/zinc/21/49/13/427214913.db2.gz AZUZUBOHKMQSDS-CRAIPNDOSA-N 1 3 311.429 2.857 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000253554258 427214917 /nfs/dbraw/zinc/21/49/17/427214917.db2.gz AZUZUBOHKMQSDS-CRAIPNDOSA-N 1 3 311.429 2.857 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@@H]1CCCC(F)(F)C1 ZINC000338284017 427235017 /nfs/dbraw/zinc/23/50/17/427235017.db2.gz JBYROFVWVCECCE-FPCVCCKLSA-N 1 3 316.436 2.995 20 0 DFADHO Cc1sccc1CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000293215965 427249360 /nfs/dbraw/zinc/24/93/60/427249360.db2.gz JOWQKNZNYYFEGP-SFHVURJKSA-N 1 3 316.470 2.913 20 0 DFADHO Cc1sccc1CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000293215965 427249364 /nfs/dbraw/zinc/24/93/64/427249364.db2.gz JOWQKNZNYYFEGP-SFHVURJKSA-N 1 3 316.470 2.913 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCOCC1)c1cccc(OCCN(C)C)c1 ZINC000183350137 427250335 /nfs/dbraw/zinc/25/03/35/427250335.db2.gz NHPXMXANJKGGDH-RDJZCZTQSA-N 1 3 306.450 2.847 20 0 DFADHO Cn1cc(CC[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cn1 ZINC000285643784 427299568 /nfs/dbraw/zinc/29/95/68/427299568.db2.gz RXDDNUIXOQFWEQ-FQEVSTJZSA-N 1 3 324.472 2.561 20 0 DFADHO Cn1cc(CC[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cn1 ZINC000285643784 427299574 /nfs/dbraw/zinc/29/95/74/427299574.db2.gz RXDDNUIXOQFWEQ-FQEVSTJZSA-N 1 3 324.472 2.561 20 0 DFADHO Cc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1Cl ZINC000277731134 427299744 /nfs/dbraw/zinc/29/97/44/427299744.db2.gz OSOTXGPWYLVBJE-UHFFFAOYSA-N 1 3 310.869 2.973 20 0 DFADHO CC(C)[C@@H](O)CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000293363400 427300278 /nfs/dbraw/zinc/30/02/78/427300278.db2.gz ONLWHPSZOBVGRS-OALUTQOASA-N 1 3 302.462 2.601 20 0 DFADHO CC(C)[C@@H](O)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000293363400 427300283 /nfs/dbraw/zinc/30/02/83/427300283.db2.gz ONLWHPSZOBVGRS-OALUTQOASA-N 1 3 302.462 2.601 20 0 DFADHO CN(CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000277825917 427332216 /nfs/dbraw/zinc/33/22/16/427332216.db2.gz LFQLXJBYRPZCIN-CYBMUJFWSA-N 1 3 309.841 2.552 20 0 DFADHO CN(CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000277825917 427332221 /nfs/dbraw/zinc/33/22/21/427332221.db2.gz LFQLXJBYRPZCIN-CYBMUJFWSA-N 1 3 309.841 2.552 20 0 DFADHO C[C@H](C[C@H]1COCCN1)[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000261949431 427347010 /nfs/dbraw/zinc/34/70/10/427347010.db2.gz WBVHBAGDCQXKLX-MSOLQXFVSA-N 1 3 323.525 2.532 20 0 DFADHO C[C@H](C[C@H]1COCCN1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000261949431 427347014 /nfs/dbraw/zinc/34/70/14/427347014.db2.gz WBVHBAGDCQXKLX-MSOLQXFVSA-N 1 3 323.525 2.532 20 0 DFADHO NC1(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCCCC1 ZINC000262983776 427389752 /nfs/dbraw/zinc/38/97/52/427389752.db2.gz NMQKPJKLOAFTDG-UHFFFAOYSA-N 1 3 315.339 2.764 20 0 DFADHO CCc1nc(C)c(CNC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000297407538 427401074 /nfs/dbraw/zinc/40/10/74/427401074.db2.gz LAYVPAMTAZGURV-UHFFFAOYSA-N 1 3 300.406 2.699 20 0 DFADHO CC(C)OCCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000184172948 427409309 /nfs/dbraw/zinc/40/93/09/427409309.db2.gz HMHSIHPQBHSNSD-UHFFFAOYSA-N 1 3 319.493 2.732 20 0 DFADHO FC(F)(F)c1ccnc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000293711885 427413694 /nfs/dbraw/zinc/41/36/94/427413694.db2.gz MWMLCVWTXVBKQC-CABCVRRESA-N 1 3 313.367 2.859 20 0 DFADHO FC(F)(F)c1ccnc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000293711885 427413702 /nfs/dbraw/zinc/41/37/02/427413702.db2.gz MWMLCVWTXVBKQC-CABCVRRESA-N 1 3 313.367 2.859 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000293718553 427414515 /nfs/dbraw/zinc/41/45/15/427414515.db2.gz PKHRMYUTDAQWHY-HUUCEWRRSA-N 1 3 305.466 2.753 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)NC[C@@H](C)C[NH+](C)C ZINC000293718553 427414517 /nfs/dbraw/zinc/41/45/17/427414517.db2.gz PKHRMYUTDAQWHY-HUUCEWRRSA-N 1 3 305.466 2.753 20 0 DFADHO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN(C)C(C)C ZINC000183913306 427357451 /nfs/dbraw/zinc/35/74/51/427357451.db2.gz TYJZKSQRSLIXLI-GOSISDBHSA-N 1 3 319.493 2.599 20 0 DFADHO COC(=O)c1coc([C@H](C)NCCCCC[NH+]2CCCC2)c1 ZINC000293564823 427365296 /nfs/dbraw/zinc/36/52/96/427365296.db2.gz AVIHHRLOFKLMJS-AWEZNQCLSA-N 1 3 308.422 2.983 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000285903156 427368535 /nfs/dbraw/zinc/36/85/35/427368535.db2.gz BKIPTAKWOGOBON-LZQZEXGQSA-N 1 3 320.452 2.871 20 0 DFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CCCCCC[NH3+] ZINC000286175499 427446630 /nfs/dbraw/zinc/44/66/30/427446630.db2.gz RCNJKZZWOXZHKK-UHFFFAOYSA-N 1 3 323.456 2.625 20 0 DFADHO CCC[C@](C)(N)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000263250070 427447310 /nfs/dbraw/zinc/44/73/10/427447310.db2.gz JGZDRLSGBONASK-SFHVURJKSA-N 1 3 305.466 2.661 20 0 DFADHO CCC[C@](C)(N)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000263250070 427447318 /nfs/dbraw/zinc/44/73/18/427447318.db2.gz JGZDRLSGBONASK-SFHVURJKSA-N 1 3 305.466 2.661 20 0 DFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccno1 ZINC000271405290 427526275 /nfs/dbraw/zinc/52/62/75/427526275.db2.gz XTXAOOYQIQJGPW-UHFFFAOYSA-N 1 3 300.406 2.808 20 0 DFADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000298195978 427530480 /nfs/dbraw/zinc/53/04/80/427530480.db2.gz CRAVJRLNVGLDCK-DOMZBBRYSA-N 1 3 316.367 2.813 20 0 DFADHO C[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(OCCN(C)C)cc1 ZINC000271454710 427543511 /nfs/dbraw/zinc/54/35/11/427543511.db2.gz GPCDTYGANXYFKT-JKSUJKDBSA-N 1 3 308.466 2.686 20 0 DFADHO O[C@@H](Cc1ccc(F)cc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000338911328 427553110 /nfs/dbraw/zinc/55/31/10/427553110.db2.gz JXBLUCPEIZHCGE-IBGZPJMESA-N 1 3 320.452 2.537 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000263958785 427622015 /nfs/dbraw/zinc/62/20/15/427622015.db2.gz QULDVUDJAOSGNH-UHFFFAOYSA-N 1 3 319.493 2.990 20 0 DFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cccnc1 ZINC000271488651 427557083 /nfs/dbraw/zinc/55/70/83/427557083.db2.gz KEEXELJQVPMDFI-BMGDILEWSA-N 1 3 303.450 2.500 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc3c(C)nn(C)c3s2)C1 ZINC000287259554 427562031 /nfs/dbraw/zinc/56/20/31/427562031.db2.gz AIULONCJUKTLAJ-QWHCGFSZSA-N 1 3 306.479 2.936 20 0 DFADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cc3c(C)nn(C)c3s2)C1 ZINC000287259554 427562035 /nfs/dbraw/zinc/56/20/35/427562035.db2.gz AIULONCJUKTLAJ-QWHCGFSZSA-N 1 3 306.479 2.936 20 0 DFADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2cc3c(C)nn(C)c3s2)C1 ZINC000287259554 427562040 /nfs/dbraw/zinc/56/20/40/427562040.db2.gz AIULONCJUKTLAJ-QWHCGFSZSA-N 1 3 306.479 2.936 20 0 DFADHO CCOCCN(C)Cc1ccc(C[N@H+](C)CCOCC)cc1 ZINC000271519764 427568294 /nfs/dbraw/zinc/56/82/94/427568294.db2.gz VQBKBUQTCJWZQZ-UHFFFAOYSA-N 1 3 308.466 2.623 20 0 DFADHO CCOCCN(C)Cc1ccc(C[N@@H+](C)CCOCC)cc1 ZINC000271519764 427568301 /nfs/dbraw/zinc/56/83/01/427568301.db2.gz VQBKBUQTCJWZQZ-UHFFFAOYSA-N 1 3 308.466 2.623 20 0 DFADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc2c(c1)CC(=O)N2C ZINC000271826976 427588359 /nfs/dbraw/zinc/58/83/59/427588359.db2.gz OUXGGCPUQUOUSA-PBHICJAKSA-N 1 3 315.461 2.731 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1=CCN(C)CC1 ZINC000271913561 427595905 /nfs/dbraw/zinc/59/59/05/427595905.db2.gz YKNLZTKNIMRYPT-CQSZACIVSA-N 1 3 302.418 2.588 20 0 DFADHO C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)N(C)Cc1ccccc1 ZINC000192851517 427623930 /nfs/dbraw/zinc/62/39/30/427623930.db2.gz VBAPCTFMVRYCJD-BPIHKTFHSA-N 1 3 301.478 2.722 20 0 DFADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)Cc1ccccc1 ZINC000192851517 427623935 /nfs/dbraw/zinc/62/39/35/427623935.db2.gz VBAPCTFMVRYCJD-BPIHKTFHSA-N 1 3 301.478 2.722 20 0 DFADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)Cc1ccccc1 ZINC000192851517 427623937 /nfs/dbraw/zinc/62/39/37/427623937.db2.gz VBAPCTFMVRYCJD-BPIHKTFHSA-N 1 3 301.478 2.722 20 0 DFADHO Cc1cnn(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000192969206 427644735 /nfs/dbraw/zinc/64/47/35/427644735.db2.gz CPQVUAQAXFHDLX-IHWFROFDSA-N 1 3 324.472 2.977 20 0 DFADHO Cc1cnn(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000192969206 427644741 /nfs/dbraw/zinc/64/47/41/427644741.db2.gz CPQVUAQAXFHDLX-IHWFROFDSA-N 1 3 324.472 2.977 20 0 DFADHO C[C@H]1C[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)CC(C)(C)C1 ZINC000333554741 427647625 /nfs/dbraw/zinc/64/76/25/427647625.db2.gz JZHWLSUMCLBIPY-GXTWGEPZSA-N 1 3 305.470 2.576 20 0 DFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cccc(CN(C)C)c1 ZINC000185423959 427652083 /nfs/dbraw/zinc/65/20/83/427652083.db2.gz ZUJOPRFLPDCUJX-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@H](NCc1ccncc1OCCC[NH+](C)C)[C@H]1CC1(C)C ZINC000342410387 272007164 /nfs/dbraw/zinc/00/71/64/272007164.db2.gz AXFDSRDNQSIBAA-GOEBONIOSA-N 1 3 305.466 2.936 20 0 DFADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccncc1OCCN(C)C ZINC000342413693 272007493 /nfs/dbraw/zinc/00/74/93/272007493.db2.gz IWTMZBCFNXLBOV-GDBMZVCRSA-N 1 3 305.466 2.936 20 0 DFADHO CC(C)[C@H](C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)N1CCCCC1 ZINC000342749296 272049628 /nfs/dbraw/zinc/04/96/28/272049628.db2.gz YSGWLNHASVJWIP-KZNAEPCWSA-N 1 3 321.509 2.582 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000342787922 272053454 /nfs/dbraw/zinc/05/34/54/272053454.db2.gz OEDXRMQZDCTKKR-KRWDZBQOSA-N 1 3 309.498 2.585 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC000342787922 272053455 /nfs/dbraw/zinc/05/34/55/272053455.db2.gz OEDXRMQZDCTKKR-KRWDZBQOSA-N 1 3 309.498 2.585 20 0 DFADHO Cc1cccc(C)c1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000342928048 272066839 /nfs/dbraw/zinc/06/68/39/272066839.db2.gz PMNWLHRIMBMBTJ-NZSAHSFTSA-N 1 3 302.462 2.987 20 0 DFADHO C[C@H]([NH2+]CC1=CCCOC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272218235 427675962 /nfs/dbraw/zinc/67/59/62/427675962.db2.gz RMJYHPVYMQDUOI-LPHOPBHVSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@H](NCC1=CCCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272218235 427675966 /nfs/dbraw/zinc/67/59/66/427675966.db2.gz RMJYHPVYMQDUOI-LPHOPBHVSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@H](NCC1=CCCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272218235 427675972 /nfs/dbraw/zinc/67/59/72/427675972.db2.gz RMJYHPVYMQDUOI-LPHOPBHVSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CCN(C3CCN(C)CC3)[C@H](C)C2)C1 ZINC000343720479 272208041 /nfs/dbraw/zinc/20/80/41/272208041.db2.gz VFRVHNIEIONIPF-KZNAEPCWSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCC[C@@H](C[N@H+]2CCN(C3CCN(C)CC3)[C@H](C)C2)C1 ZINC000343720479 272208043 /nfs/dbraw/zinc/20/80/43/272208043.db2.gz VFRVHNIEIONIPF-KZNAEPCWSA-N 1 3 307.526 2.913 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000343985923 272247200 /nfs/dbraw/zinc/24/72/00/272247200.db2.gz MXCBZIOLQPRONO-CGTJXYLNSA-N 1 3 303.450 2.690 20 0 DFADHO CCC[N@@H+](CCc1ccccc1F)CCN1CCN(CC)CC1 ZINC000344121159 272267486 /nfs/dbraw/zinc/26/74/86/272267486.db2.gz DOYPVTZRZHYSDM-UHFFFAOYSA-N 1 3 321.484 2.718 20 0 DFADHO CCC[N@H+](CCc1ccccc1F)CCN1CCN(CC)CC1 ZINC000344121159 272267488 /nfs/dbraw/zinc/26/74/88/272267488.db2.gz DOYPVTZRZHYSDM-UHFFFAOYSA-N 1 3 321.484 2.718 20 0 DFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1cc(F)ccc1C ZINC000344121951 272267856 /nfs/dbraw/zinc/26/78/56/272267856.db2.gz FMGGLLJDLPFZDW-UHFFFAOYSA-N 1 3 321.484 2.984 20 0 DFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1cc(F)ccc1C ZINC000344121951 272267857 /nfs/dbraw/zinc/26/78/57/272267857.db2.gz FMGGLLJDLPFZDW-UHFFFAOYSA-N 1 3 321.484 2.984 20 0 DFADHO CCC[N@@H+](CCc1ccccc1)CCN1CCN(CC)CC1 ZINC000344124504 272269175 /nfs/dbraw/zinc/26/91/75/272269175.db2.gz GBHXZWQATMATGN-UHFFFAOYSA-N 1 3 303.494 2.579 20 0 DFADHO CCC[N@H+](CCc1ccccc1)CCN1CCN(CC)CC1 ZINC000344124504 272269176 /nfs/dbraw/zinc/26/91/76/272269176.db2.gz GBHXZWQATMATGN-UHFFFAOYSA-N 1 3 303.494 2.579 20 0 DFADHO C[C@H]([NH2+]C1CCN(C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272270103 427690847 /nfs/dbraw/zinc/69/08/47/427690847.db2.gz BCZCWBDVRREMFY-FUHWJXTLSA-N 1 3 301.478 2.581 20 0 DFADHO CO[C@H](c1ccccc1)[C@@H](C)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000279609520 427713022 /nfs/dbraw/zinc/71/30/22/427713022.db2.gz XFRVBZGETSUNNF-SCTDSRPQSA-N 1 3 320.477 2.853 20 0 DFADHO CO[C@H](c1ccccc1)[C@@H](C)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000279609520 427713028 /nfs/dbraw/zinc/71/30/28/427713028.db2.gz XFRVBZGETSUNNF-SCTDSRPQSA-N 1 3 320.477 2.853 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C[C@H](O)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000287921921 427717385 /nfs/dbraw/zinc/71/73/85/427717385.db2.gz WDEJOYGGUMWLPD-XOKHGSTOSA-N 1 3 310.869 2.658 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C[C@H](O)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000287921921 427717388 /nfs/dbraw/zinc/71/73/88/427717388.db2.gz WDEJOYGGUMWLPD-XOKHGSTOSA-N 1 3 310.869 2.658 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CC1CCCCC1 ZINC000336862349 427765025 /nfs/dbraw/zinc/76/50/25/427765025.db2.gz DRHAJLZXRAHZHL-WBVHZDCISA-N 1 3 309.498 2.665 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CC1CCCCC1 ZINC000336862349 427765026 /nfs/dbraw/zinc/76/50/26/427765026.db2.gz DRHAJLZXRAHZHL-WBVHZDCISA-N 1 3 309.498 2.665 20 0 DFADHO Cc1noc(CCCN2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000336871912 427769014 /nfs/dbraw/zinc/76/90/14/427769014.db2.gz OBZXQJFYKBNPPK-UHFFFAOYSA-N 1 3 320.481 2.899 20 0 DFADHO CCN(CCCN1CC[C@]2(C1)CCC[N@H+](C)C2)CC(F)(F)F ZINC000339427688 427772432 /nfs/dbraw/zinc/77/24/32/427772432.db2.gz JGNAOOPJYNZONK-OAHLLOKOSA-N 1 3 321.431 2.678 20 0 DFADHO CCN(CCCN1CC[C@]2(C1)CCC[N@@H+](C)C2)CC(F)(F)F ZINC000339427688 427772435 /nfs/dbraw/zinc/77/24/35/427772435.db2.gz JGNAOOPJYNZONK-OAHLLOKOSA-N 1 3 321.431 2.678 20 0 DFADHO COc1ccc(OCCCN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000339433232 427773421 /nfs/dbraw/zinc/77/34/21/427773421.db2.gz CTWCPXFYNWKADH-IBGZPJMESA-N 1 3 318.461 2.882 20 0 DFADHO COc1ccc(OCCCN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000339433232 427773424 /nfs/dbraw/zinc/77/34/24/427773424.db2.gz CTWCPXFYNWKADH-IBGZPJMESA-N 1 3 318.461 2.882 20 0 DFADHO COc1cc2nccc(N3C[C@@H](C)[C@H]([NH+](C)C)C3)c2cc1OC ZINC000299029093 427741022 /nfs/dbraw/zinc/74/10/22/427741022.db2.gz TUTQDZHTWROJQG-MLGOLLRUSA-N 1 3 315.417 2.638 20 0 DFADHO CC1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000339263737 427744767 /nfs/dbraw/zinc/74/47/67/427744767.db2.gz JZMHEJLXTUGHRT-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO CC1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000339263737 427744770 /nfs/dbraw/zinc/74/47/70/427744770.db2.gz JZMHEJLXTUGHRT-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO COc1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1Br ZINC000336699262 427749305 /nfs/dbraw/zinc/74/93/05/427749305.db2.gz JJBBYDTZYUYSRT-UWVGGRQHSA-N 1 3 301.228 2.703 20 0 DFADHO CC(C)[C@@H](Cn1cccn1)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000340472563 427857485 /nfs/dbraw/zinc/85/74/85/427857485.db2.gz DMHYPZSNXPKASF-KZNAEPCWSA-N 1 3 306.498 2.865 20 0 DFADHO CC(C)[C@@H](Cn1cccn1)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000340472563 427857490 /nfs/dbraw/zinc/85/74/90/427857490.db2.gz DMHYPZSNXPKASF-KZNAEPCWSA-N 1 3 306.498 2.865 20 0 DFADHO CCc1cc(N2CCN(C[C@@H](C)O)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301802689 427825425 /nfs/dbraw/zinc/82/54/25/427825425.db2.gz UAKOTIYPPOLMQP-LSDHHAIUSA-N 1 3 313.445 2.689 20 0 DFADHO CN(C)c1ccccc1C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000339845791 427847945 /nfs/dbraw/zinc/84/79/45/427847945.db2.gz JAHOGKPYFSSLIK-QGZVFWFLSA-N 1 3 301.478 2.916 20 0 DFADHO CN(C)c1ccccc1C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000339845791 427847951 /nfs/dbraw/zinc/84/79/51/427847951.db2.gz JAHOGKPYFSSLIK-QGZVFWFLSA-N 1 3 301.478 2.916 20 0 DFADHO C[NH+]1CCC(C)(CN[C@H](c2ccccc2)c2cncnc2)CC1 ZINC000349716748 427850393 /nfs/dbraw/zinc/85/03/93/427850393.db2.gz AJLCXGQXTPELAC-GOSISDBHSA-N 1 3 310.445 2.888 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)CC1 ZINC000337353549 427860494 /nfs/dbraw/zinc/86/04/94/427860494.db2.gz AIHPSYVAIMWABY-HNNXBMFYSA-N 1 3 321.431 2.677 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](CC(F)(F)F)C2)CC1 ZINC000337353549 427860500 /nfs/dbraw/zinc/86/05/00/427860500.db2.gz AIHPSYVAIMWABY-HNNXBMFYSA-N 1 3 321.431 2.677 20 0 DFADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000340517975 427873195 /nfs/dbraw/zinc/87/31/95/427873195.db2.gz OZWVFRDXBJXSTR-IGKNDFSCSA-N 1 3 306.494 2.902 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000340517975 427873201 /nfs/dbraw/zinc/87/32/01/427873201.db2.gz OZWVFRDXBJXSTR-IGKNDFSCSA-N 1 3 306.494 2.902 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000340517975 427873203 /nfs/dbraw/zinc/87/32/03/427873203.db2.gz OZWVFRDXBJXSTR-IGKNDFSCSA-N 1 3 306.494 2.902 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)CC(C)C ZINC000345730922 427878927 /nfs/dbraw/zinc/87/89/27/427878927.db2.gz ZZRSWHCJGCJRAP-BBWFWOEESA-N 1 3 311.514 2.732 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)CC(C)C ZINC000345730924 427879815 /nfs/dbraw/zinc/87/98/15/427879815.db2.gz ZZRSWHCJGCJRAP-ULQDDVLXSA-N 1 3 311.514 2.732 20 0 DFADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)N1CCCCC1 ZINC000345759659 427892681 /nfs/dbraw/zinc/89/26/81/427892681.db2.gz ZHUTUNYFQLHIDC-QZTJIDSGSA-N 1 3 323.525 2.878 20 0 DFADHO CC[C@H](C)N[C@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)c1ccco1 ZINC000359543515 427902590 /nfs/dbraw/zinc/90/25/90/427902590.db2.gz NCBKGMBKJLSYFO-SOUVJXGZSA-N 1 3 323.481 2.992 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1CCCCC1 ZINC000346621461 272660649 /nfs/dbraw/zinc/66/06/49/272660649.db2.gz LZCWDUAFBXTXGS-SFHVURJKSA-N 1 3 323.525 2.831 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1CCCCC1 ZINC000346621461 272660652 /nfs/dbraw/zinc/66/06/52/272660652.db2.gz LZCWDUAFBXTXGS-SFHVURJKSA-N 1 3 323.525 2.831 20 0 DFADHO CCC[C@H](C(=O)NC[C@H]([NH2+][C@H](C)CC)c1ccco1)N(C)C ZINC000359551138 427904613 /nfs/dbraw/zinc/90/46/13/427904613.db2.gz ZMWSGOVNSLUNGG-QLFBSQMISA-N 1 3 309.454 2.555 20 0 DFADHO CCC[C@H](C(=O)NC[C@H](N[C@H](C)CC)c1ccco1)[NH+](C)C ZINC000359551138 427904616 /nfs/dbraw/zinc/90/46/16/427904616.db2.gz ZMWSGOVNSLUNGG-QLFBSQMISA-N 1 3 309.454 2.555 20 0 DFADHO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(CC[NH+](C)C)CC1 ZINC000340636858 427911653 /nfs/dbraw/zinc/91/16/53/427911653.db2.gz ZHTPIGAZEHJDNX-ZACQAIPSSA-N 1 3 323.525 2.543 20 0 DFADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)[C@]1(C)CCCO1 ZINC000340212680 427956322 /nfs/dbraw/zinc/95/63/22/427956322.db2.gz IZVFGBZUAHCAME-YJBOKZPZSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)CCN1C ZINC000340262698 427971050 /nfs/dbraw/zinc/97/10/50/427971050.db2.gz ZVHDSLNOBZWRGE-YSHGAJCASA-N 1 3 301.478 2.894 20 0 DFADHO C[NH+](C)C1CCN(CCNCc2ccsc2Cl)CC1 ZINC000359735387 427995995 /nfs/dbraw/zinc/99/59/95/427995995.db2.gz XWGLMOMMLCKJMZ-UHFFFAOYSA-N 1 3 301.887 2.517 20 0 DFADHO CCC[NH+]1CCC(N(C)C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000413205264 427991373 /nfs/dbraw/zinc/99/13/73/427991373.db2.gz AUYKHHUJXLMRGT-XHSDSOJGSA-N 1 3 309.498 2.581 20 0 DFADHO CCc1nn(C)c(CC)c1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347194263 272744422 /nfs/dbraw/zinc/74/44/22/272744422.db2.gz GQNRSGBCKIALFP-QGZVFWFLSA-N 1 3 304.482 2.509 20 0 DFADHO CN1CC[C@H]([NH2+]CCCN2CCCC2)C[C@H]1c1ccccc1 ZINC000340183133 427948471 /nfs/dbraw/zinc/94/84/71/427948471.db2.gz VFULALGSNKKQKB-OALUTQOASA-N 1 3 301.478 2.897 20 0 DFADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)c1ccc(F)cc1 ZINC000305068451 427950965 /nfs/dbraw/zinc/95/09/65/427950965.db2.gz JZJMBNMOXLWBSJ-SFHVURJKSA-N 1 3 306.425 2.856 20 0 DFADHO C[C@@H]1C[N@H+](C/C=C/c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000369767852 428057313 /nfs/dbraw/zinc/05/73/13/428057313.db2.gz UWYJDVFHZKYBDF-NVLKRUCJSA-N 1 3 313.489 2.658 20 0 DFADHO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000369767852 428057319 /nfs/dbraw/zinc/05/73/19/428057319.db2.gz UWYJDVFHZKYBDF-NVLKRUCJSA-N 1 3 313.489 2.658 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1cccc(OCCN(C)C)c1 ZINC000359876563 428057685 /nfs/dbraw/zinc/05/76/85/428057685.db2.gz OOISVLNURQOEGA-GDIGMMSISA-N 1 3 318.461 2.845 20 0 DFADHO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1cccc(OCCN(C)C)c1 ZINC000359876575 428058643 /nfs/dbraw/zinc/05/86/43/428058643.db2.gz OOISVLNURQOEGA-ZOCIIQOWSA-N 1 3 318.461 2.845 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000346186087 428058873 /nfs/dbraw/zinc/05/88/73/428058873.db2.gz HHXFKNBCIAHBAF-CVEARBPZSA-N 1 3 317.481 2.736 20 0 DFADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000346186087 428058876 /nfs/dbraw/zinc/05/88/76/428058876.db2.gz HHXFKNBCIAHBAF-CVEARBPZSA-N 1 3 317.481 2.736 20 0 DFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N2CCCCC2)C1)[NH+]1CCCCC1 ZINC000341188179 428007319 /nfs/dbraw/zinc/00/73/19/428007319.db2.gz LLJPWQMOFIHSRS-MSOLQXFVSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C)[C@H]2c2ccccc2)CCN1C ZINC000369851614 428076171 /nfs/dbraw/zinc/07/61/71/428076171.db2.gz KFIOUIATGOGDEN-LULLPPNCSA-N 1 3 301.478 2.752 20 0 DFADHO CC(C)[C@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)N(C)C ZINC000341522948 428090625 /nfs/dbraw/zinc/09/06/25/428090625.db2.gz HHDCEWMLIIFXCG-GOSISDBHSA-N 1 3 317.477 2.848 20 0 DFADHO CC(C)[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)N(C)C ZINC000341522948 428090631 /nfs/dbraw/zinc/09/06/31/428090631.db2.gz HHDCEWMLIIFXCG-GOSISDBHSA-N 1 3 317.477 2.848 20 0 DFADHO c1ccc(C[N@H+]2CCC[C@H](CNCC3=CCCOC3)C2)cc1 ZINC000359991330 428108124 /nfs/dbraw/zinc/10/81/24/428108124.db2.gz DHIKHBAJFAZJDS-GOSISDBHSA-N 1 3 300.446 2.835 20 0 DFADHO c1ccc(C[N@@H+]2CCC[C@H](CNCC3=CCCOC3)C2)cc1 ZINC000359991330 428108127 /nfs/dbraw/zinc/10/81/27/428108127.db2.gz DHIKHBAJFAZJDS-GOSISDBHSA-N 1 3 300.446 2.835 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000346288101 428109328 /nfs/dbraw/zinc/10/93/28/428109328.db2.gz PBTHXAWPCZHUQN-ROUUACIJSA-N 1 3 317.477 2.614 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000351859708 428113346 /nfs/dbraw/zinc/11/33/46/428113346.db2.gz GWVKFFCAFKDHCK-QAPCUYQASA-N 1 3 311.429 2.830 20 0 DFADHO CCC[NH+]1CCC(N(C)CCc2ccc3c(c2)OCCO3)CC1 ZINC000360017844 428119917 /nfs/dbraw/zinc/11/99/17/428119917.db2.gz SEGJFQVGSHBNPL-UHFFFAOYSA-N 1 3 318.461 2.807 20 0 DFADHO CCN(CCN1CCCCCC1)C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000346356495 428140950 /nfs/dbraw/zinc/14/09/50/428140950.db2.gz UZJKXJIINGLJHY-MRXNPFEDSA-N 1 3 311.514 2.878 20 0 DFADHO CC(=O)Nc1ccc(CN(CCC[NH3+])CC2CCCC2)cc1 ZINC000352540284 428141268 /nfs/dbraw/zinc/14/12/68/428141268.db2.gz JDLXMNJVSMVREP-UHFFFAOYSA-N 1 3 303.450 2.986 20 0 DFADHO CC(=O)Nc1ccc(C[N@H+](CCCN)CC2CCCC2)cc1 ZINC000352540284 428141272 /nfs/dbraw/zinc/14/12/72/428141272.db2.gz JDLXMNJVSMVREP-UHFFFAOYSA-N 1 3 303.450 2.986 20 0 DFADHO CC(=O)Nc1ccc(C[N@@H+](CCCN)CC2CCCC2)cc1 ZINC000352540284 428141278 /nfs/dbraw/zinc/14/12/78/428141278.db2.gz JDLXMNJVSMVREP-UHFFFAOYSA-N 1 3 303.450 2.986 20 0 DFADHO CN1CC[C@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1cccs1 ZINC000370160085 428147362 /nfs/dbraw/zinc/14/73/62/428147362.db2.gz FNLRGJMJXBCGQC-HIFRSBDPSA-N 1 3 306.479 2.751 20 0 DFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000341739638 428174554 /nfs/dbraw/zinc/17/45/54/428174554.db2.gz BDEFFAUKQDTYQO-MAUKXSAKSA-N 1 3 315.461 2.809 20 0 DFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000341739638 428174558 /nfs/dbraw/zinc/17/45/58/428174558.db2.gz BDEFFAUKQDTYQO-MAUKXSAKSA-N 1 3 315.461 2.809 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCN(CC(C)C)C2)cn1 ZINC000414097467 428205971 /nfs/dbraw/zinc/20/59/71/428205971.db2.gz JCCQGVWQDSNWIC-SJLPKXTDSA-N 1 3 319.493 2.979 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000414097467 428205972 /nfs/dbraw/zinc/20/59/72/428205972.db2.gz JCCQGVWQDSNWIC-SJLPKXTDSA-N 1 3 319.493 2.979 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000414097467 428205975 /nfs/dbraw/zinc/20/59/75/428205975.db2.gz JCCQGVWQDSNWIC-SJLPKXTDSA-N 1 3 319.493 2.979 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000360212741 428206434 /nfs/dbraw/zinc/20/64/34/428206434.db2.gz KTTWKJIBGMJAJM-DLBZAZTESA-N 1 3 323.456 2.711 20 0 DFADHO C[C@H](CCC1CC1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000346552244 428216120 /nfs/dbraw/zinc/21/61/20/428216120.db2.gz FDIVGLAPGMSSIE-QGZVFWFLSA-N 1 3 316.493 2.762 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000356528274 428219352 /nfs/dbraw/zinc/21/93/52/428219352.db2.gz BIZQMTNAVUXEAX-HZPDHXFCSA-N 1 3 319.493 2.790 20 0 DFADHO C[N@H+](CC[C@H]1CCCO1)CC1CCN(c2ccncc2)CC1 ZINC000346590268 428232230 /nfs/dbraw/zinc/23/22/30/428232230.db2.gz YARWUDBVLRNQSU-GOSISDBHSA-N 1 3 303.450 2.799 20 0 DFADHO C[N@@H+](CC[C@H]1CCCO1)CC1CCN(c2ccncc2)CC1 ZINC000346590268 428232234 /nfs/dbraw/zinc/23/22/34/428232234.db2.gz YARWUDBVLRNQSU-GOSISDBHSA-N 1 3 303.450 2.799 20 0 DFADHO CCc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000352756157 428234620 /nfs/dbraw/zinc/23/46/20/428234620.db2.gz OLYMGXDHVDAREU-HZPDHXFCSA-N 1 3 305.466 2.623 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(CC)nc2)[C@H](C)C1 ZINC000352760031 428234673 /nfs/dbraw/zinc/23/46/73/428234673.db2.gz NCTFNWQEUPYDPY-APWZRJJASA-N 1 3 319.493 2.871 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(CC)nc2)[C@@H](C)C1 ZINC000352760033 428235784 /nfs/dbraw/zinc/23/57/84/428235784.db2.gz NCTFNWQEUPYDPY-QFBILLFUSA-N 1 3 319.493 2.871 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@H]1C[C@H]1C ZINC000414076702 428199079 /nfs/dbraw/zinc/19/90/79/428199079.db2.gz QIALKSYJXPOFAA-MDZRGWNJSA-N 1 3 301.478 2.568 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]CCCN2CCCC[C@H]2C)cn1 ZINC000414075182 428199112 /nfs/dbraw/zinc/19/91/12/428199112.db2.gz XKUNWCLJLAFYAC-JKSUJKDBSA-N 1 3 305.466 2.875 20 0 DFADHO COc1ccc(C[C@H](C)NCCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000414075182 428199115 /nfs/dbraw/zinc/19/91/15/428199115.db2.gz XKUNWCLJLAFYAC-JKSUJKDBSA-N 1 3 305.466 2.875 20 0 DFADHO COc1ccc(C[C@H](C)NCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000414075182 428199119 /nfs/dbraw/zinc/19/91/19/428199119.db2.gz XKUNWCLJLAFYAC-JKSUJKDBSA-N 1 3 305.466 2.875 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@@H](C(C)C)[NH+]2CCCC2)cn1 ZINC000414075257 428199668 /nfs/dbraw/zinc/19/96/68/428199668.db2.gz XNEMSQLFKZHOMZ-RDJZCZTQSA-N 1 3 305.466 2.731 20 0 DFADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000414347453 428265760 /nfs/dbraw/zinc/26/57/60/428265760.db2.gz QZUUIDOFWBHLMA-YSTOQKLRSA-N 1 3 313.489 2.866 20 0 DFADHO CCN1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414347453 428265766 /nfs/dbraw/zinc/26/57/66/428265766.db2.gz QZUUIDOFWBHLMA-YSTOQKLRSA-N 1 3 313.489 2.866 20 0 DFADHO CCN1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414347453 428265769 /nfs/dbraw/zinc/26/57/69/428265769.db2.gz QZUUIDOFWBHLMA-YSTOQKLRSA-N 1 3 313.489 2.866 20 0 DFADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000414346636 428265879 /nfs/dbraw/zinc/26/58/79/428265879.db2.gz MJDSGICUMXVKAY-QGZVFWFLSA-N 1 3 305.441 2.868 20 0 DFADHO COc1ccccc1/C=C/CN1CCC(OCCC[NH3+])CC1 ZINC000346677688 428268114 /nfs/dbraw/zinc/26/81/14/428268114.db2.gz KXHDKKMNOHUGIG-QPJJXVBHSA-N 1 3 304.434 2.538 20 0 DFADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(C[NH3+])CC1 ZINC000346681332 428269947 /nfs/dbraw/zinc/26/99/47/428269947.db2.gz DITQRGQDSIUYEU-UHFFFAOYSA-N 1 3 316.424 2.799 20 0 DFADHO CC(C)Oc1ccccc1CN1CCC(OCCC[NH3+])CC1 ZINC000346692703 428276655 /nfs/dbraw/zinc/27/66/55/428276655.db2.gz IJUZWFIBTIOTDC-UHFFFAOYSA-N 1 3 306.450 2.804 20 0 DFADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OCC(F)(F)F)cc1 ZINC000346694080 428277552 /nfs/dbraw/zinc/27/75/52/428277552.db2.gz RTVTYJGTRXBMFV-AAEUAGOBSA-N 1 3 302.340 2.797 20 0 DFADHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ccc1F ZINC000370708320 428282113 /nfs/dbraw/zinc/28/21/13/428282113.db2.gz PMHMXNCDONEFRL-VQIMIIECSA-N 1 3 319.468 2.592 20 0 DFADHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ccc1F ZINC000370708320 428282116 /nfs/dbraw/zinc/28/21/16/428282116.db2.gz PMHMXNCDONEFRL-VQIMIIECSA-N 1 3 319.468 2.592 20 0 DFADHO CCN1CCC([NH2+]C[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000346741904 428297591 /nfs/dbraw/zinc/29/75/91/428297591.db2.gz SWXJXGLXJZMVJE-QGZVFWFLSA-N 1 3 305.466 2.881 20 0 DFADHO CCC[NH+]1CCC(N[C@H]2CCc3cn(C(C)C)nc3C2)CC1 ZINC000341879383 428241647 /nfs/dbraw/zinc/24/16/47/428241647.db2.gz UNMCWUZVCFTEAM-KRWDZBQOSA-N 1 3 304.482 2.785 20 0 DFADHO COCCOc1cccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000377840134 428242068 /nfs/dbraw/zinc/24/20/68/428242068.db2.gz POYAIGGWTLJFBP-MJGOQNOKSA-N 1 3 318.461 2.628 20 0 DFADHO COCCOc1cccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000377840134 428242073 /nfs/dbraw/zinc/24/20/73/428242073.db2.gz POYAIGGWTLJFBP-MJGOQNOKSA-N 1 3 318.461 2.628 20 0 DFADHO COCCOc1cccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000377840133 428243577 /nfs/dbraw/zinc/24/35/77/428243577.db2.gz POYAIGGWTLJFBP-IEBWSBKVSA-N 1 3 318.461 2.628 20 0 DFADHO COCCOc1cccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000377840133 428243582 /nfs/dbraw/zinc/24/35/82/428243582.db2.gz POYAIGGWTLJFBP-IEBWSBKVSA-N 1 3 318.461 2.628 20 0 DFADHO CC[C@@H]1CC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414310348 428258805 /nfs/dbraw/zinc/25/88/05/428258805.db2.gz SWCLKPIHPBLPCL-QZTJIDSGSA-N 1 3 302.462 2.792 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCCc4sccc43)C2)CC1 ZINC000370638883 428259388 /nfs/dbraw/zinc/25/93/88/428259388.db2.gz ZZJCFEBCAFABLZ-PBHICJAKSA-N 1 3 319.518 2.884 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ncc(CN(C)C)s1 ZINC000352814091 428259601 /nfs/dbraw/zinc/25/96/01/428259601.db2.gz KPQMYIWFSFZQTG-OAHLLOKOSA-N 1 3 324.538 2.949 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ncc(CN(C)C)s1 ZINC000352814091 428259606 /nfs/dbraw/zinc/25/96/06/428259606.db2.gz KPQMYIWFSFZQTG-OAHLLOKOSA-N 1 3 324.538 2.949 20 0 DFADHO CC(C)[C@@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414324237 428261918 /nfs/dbraw/zinc/26/19/18/428261918.db2.gz KJOBSVPBVDCWEY-OAHLLOKOSA-N 1 3 317.477 2.518 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000370879055 428313950 /nfs/dbraw/zinc/31/39/50/428313950.db2.gz LAMKOGNFAKQSRG-YQVWRLOYSA-N 1 3 305.510 2.810 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000370879055 428313953 /nfs/dbraw/zinc/31/39/53/428313953.db2.gz LAMKOGNFAKQSRG-YQVWRLOYSA-N 1 3 305.510 2.810 20 0 DFADHO CO[C@H]1c2ccccc2C[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000414498950 428322662 /nfs/dbraw/zinc/32/26/62/428322662.db2.gz XKKIVDHIDGNULE-UXHICEINSA-N 1 3 323.440 2.952 20 0 DFADHO CCCN(C)CC(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000356900778 428355652 /nfs/dbraw/zinc/35/56/52/428355652.db2.gz ZHDAQCJGTDVAIS-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO CCCN(C)CC(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000356900778 428355657 /nfs/dbraw/zinc/35/56/57/428355657.db2.gz ZHDAQCJGTDVAIS-UHFFFAOYSA-N 1 3 323.525 2.689 20 0 DFADHO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000352972784 428330424 /nfs/dbraw/zinc/33/04/24/428330424.db2.gz YMWMHKZCAFYWJD-QGZVKYPTSA-N 1 3 315.505 2.827 20 0 DFADHO COCCCOc1cccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000346826687 428333719 /nfs/dbraw/zinc/33/37/19/428333719.db2.gz MAMGBGLPXPSRQI-UHOSZYNNSA-N 1 3 318.461 2.661 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(Oc4cnccn4)cc3)C[C@H]21 ZINC000346839747 428339612 /nfs/dbraw/zinc/33/96/12/428339612.db2.gz SVUSKJODPMJGPB-KBAYOESNSA-N 1 3 324.428 2.828 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3c[nH]nc3-c3cccs3)C[C@H]21 ZINC000346840333 428341446 /nfs/dbraw/zinc/34/14/46/428341446.db2.gz ZXNBWLMIBYDNKD-IACUBPJLSA-N 1 3 302.447 2.697 20 0 DFADHO CC(C)[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000356872856 428342823 /nfs/dbraw/zinc/34/28/23/428342823.db2.gz PNAPAPPLOAJKHT-OKYOBFRVSA-N 1 3 302.462 2.504 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(OCc4ccccn4)c3)C[C@@H]12 ZINC000346854230 428347091 /nfs/dbraw/zinc/34/70/91/428347091.db2.gz TZMKRQZENQVNRB-PWIZWCRZSA-N 1 3 323.440 2.830 20 0 DFADHO CC(C)N(CC(=O)Nc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414737817 428391130 /nfs/dbraw/zinc/39/11/30/428391130.db2.gz OLERBICWQSGLMU-HUUCEWRRSA-N 1 3 321.440 2.863 20 0 DFADHO CC(C)N(CC(=O)Nc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414737820 428391545 /nfs/dbraw/zinc/39/15/45/428391545.db2.gz OLERBICWQSGLMU-LSDHHAIUSA-N 1 3 321.440 2.863 20 0 DFADHO CC(C)C[C@@H](N)C[N@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000414750874 428391895 /nfs/dbraw/zinc/39/18/95/428391895.db2.gz YZQVPRQOILCNNF-IAGOWNOFSA-N 1 3 308.466 2.510 20 0 DFADHO CC(C)C[C@@H](N)C[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000414750874 428391907 /nfs/dbraw/zinc/39/19/07/428391907.db2.gz YZQVPRQOILCNNF-IAGOWNOFSA-N 1 3 308.466 2.510 20 0 DFADHO CCc1cc(OC)ccc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414776601 428404415 /nfs/dbraw/zinc/40/44/15/428404415.db2.gz NIOQJSCPFPDOLN-MOPGFXCFSA-N 1 3 318.461 2.586 20 0 DFADHO CC(C)Oc1ccccc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414775852 428404950 /nfs/dbraw/zinc/40/49/50/428404950.db2.gz CGYXHIDKGHBZQA-MJGOQNOKSA-N 1 3 318.461 2.802 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000347005896 428405070 /nfs/dbraw/zinc/40/50/70/428405070.db2.gz CGDLVHVTDUSASD-UHFFFAOYSA-N 1 3 315.465 2.834 20 0 DFADHO C[C@H](CCc1ccccc1)C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414784104 428407617 /nfs/dbraw/zinc/40/76/17/428407617.db2.gz QUBZYKVLJLFSPL-IEBWSBKVSA-N 1 3 316.489 2.943 20 0 DFADHO C[C@H](CCc1ccccc1)C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414784104 428407620 /nfs/dbraw/zinc/40/76/20/428407620.db2.gz QUBZYKVLJLFSPL-IEBWSBKVSA-N 1 3 316.489 2.943 20 0 DFADHO COc1ccc(OC)c(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786699 428411031 /nfs/dbraw/zinc/41/10/31/428411031.db2.gz UTBATBKSSCSWEW-LSDHHAIUSA-N 1 3 304.434 2.525 20 0 DFADHO CC(C)Oc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000414795435 428411855 /nfs/dbraw/zinc/41/18/55/428411855.db2.gz WUJFTBQXAACQOJ-MOPGFXCFSA-N 1 3 318.461 2.802 20 0 DFADHO COc1ccc(CN2CCCN(CC[NH2+]C(C)(C)C)CC2)cc1 ZINC000414664006 428366935 /nfs/dbraw/zinc/36/69/35/428366935.db2.gz CAVAOPSZFLOVKR-UHFFFAOYSA-N 1 3 319.493 2.591 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cnc(-c2ccncc2)s1 ZINC000414793533 428413405 /nfs/dbraw/zinc/41/34/05/428413405.db2.gz DPCCSIUXSRTUQX-UKRRQHHQSA-N 1 3 302.447 2.812 20 0 DFADHO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414681381 428373470 /nfs/dbraw/zinc/37/34/70/428373470.db2.gz VYHURAVXBKYJGP-WMZOPIPTSA-N 1 3 317.477 2.657 20 0 DFADHO CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414681381 428373477 /nfs/dbraw/zinc/37/34/77/428373477.db2.gz VYHURAVXBKYJGP-WMZOPIPTSA-N 1 3 317.477 2.657 20 0 DFADHO C[C@@H]1C[C@H](CN2CCN(Cc3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC000414681092 428373568 /nfs/dbraw/zinc/37/35/68/428373568.db2.gz OKIBUNNEQOQFAJ-NVXWUHKLSA-N 1 3 321.896 2.846 20 0 DFADHO CC[C@H](c1ccccc1)[N@H+](CC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414681379 428373755 /nfs/dbraw/zinc/37/37/55/428373755.db2.gz VYHURAVXBKYJGP-SJLPKXTDSA-N 1 3 317.477 2.657 20 0 DFADHO CC[C@H](c1ccccc1)[N@@H+](CC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414681379 428373761 /nfs/dbraw/zinc/37/37/61/428373761.db2.gz VYHURAVXBKYJGP-SJLPKXTDSA-N 1 3 317.477 2.657 20 0 DFADHO Cc1cc(C)n(C[C@H]2CCCCN2CC[C@H]2CCC[N@H+]2C)n1 ZINC000371205843 428378280 /nfs/dbraw/zinc/37/82/80/428378280.db2.gz VMJJALJREMXLAV-QZTJIDSGSA-N 1 3 304.482 2.839 20 0 DFADHO Cc1cc(C)n(C[C@H]2CCCCN2CC[C@H]2CCC[N@@H+]2C)n1 ZINC000371205843 428378283 /nfs/dbraw/zinc/37/82/83/428378283.db2.gz VMJJALJREMXLAV-QZTJIDSGSA-N 1 3 304.482 2.839 20 0 DFADHO CCC1CCC([N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C2CC2)CC1 ZINC000414694628 428379098 /nfs/dbraw/zinc/37/90/98/428379098.db2.gz DLIWEYNRFKVJBO-AQFXKWCLSA-N 1 3 321.509 2.617 20 0 DFADHO CCC1CCC([N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C2CC2)CC1 ZINC000414694628 428379102 /nfs/dbraw/zinc/37/91/02/428379102.db2.gz DLIWEYNRFKVJBO-AQFXKWCLSA-N 1 3 321.509 2.617 20 0 DFADHO CCCCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)CCC ZINC000414700822 428379322 /nfs/dbraw/zinc/37/93/22/428379322.db2.gz ZVPXLEXMQLAASE-DLBZAZTESA-N 1 3 311.514 2.865 20 0 DFADHO CCCCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)CCC ZINC000414700822 428379326 /nfs/dbraw/zinc/37/93/26/428379326.db2.gz ZVPXLEXMQLAASE-DLBZAZTESA-N 1 3 311.514 2.865 20 0 DFADHO Cc1ccc(CCN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371295588 428380565 /nfs/dbraw/zinc/38/05/65/428380565.db2.gz SRRJBLBZCWWKMD-CEXWTWQISA-N 1 3 302.462 2.721 20 0 DFADHO CCc1ccc([C@H](C)NCC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000357075261 428380696 /nfs/dbraw/zinc/38/06/96/428380696.db2.gz VSRJMVOJOSDTCH-HNNXBMFYSA-N 1 3 317.477 2.500 20 0 DFADHO C[C@@H]1C[C@H](CN(C)[C@H]2CCCN(c3ccccc3)C2=O)CC[NH2+]1 ZINC000414710138 428383798 /nfs/dbraw/zinc/38/37/98/428383798.db2.gz RLZITUIHTGZTMV-NUJGCVRESA-N 1 3 315.461 2.502 20 0 DFADHO C[C@H](c1ccsc1)N1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414714857 428383824 /nfs/dbraw/zinc/38/38/24/428383824.db2.gz QLAYUEOWCFUBLD-BZUAXINKSA-N 1 3 307.507 2.815 20 0 DFADHO C[C@@H]1C[C@H](CN(C)[C@@H]2CCCN(c3ccccc3)C2=O)CC[NH2+]1 ZINC000414710134 428384214 /nfs/dbraw/zinc/38/42/14/428384214.db2.gz RLZITUIHTGZTMV-JFIYKMOQSA-N 1 3 315.461 2.502 20 0 DFADHO C[C@@H]1C[C@H](CN2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)CC[NH2+]1 ZINC000414715949 428385989 /nfs/dbraw/zinc/38/59/89/428385989.db2.gz WINCYHSHUWGTQR-FSZRXZPDSA-N 1 3 306.425 2.976 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000414853004 428434018 /nfs/dbraw/zinc/43/40/18/428434018.db2.gz KKQGFXNBNAMRBZ-BBWFWOEESA-N 1 3 317.477 2.998 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1C ZINC000414860078 428436506 /nfs/dbraw/zinc/43/65/06/428436506.db2.gz VEVWXGSTLLSXJR-BHYGNILZSA-N 1 3 317.477 2.998 20 0 DFADHO NC1(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CCC1 ZINC000414875597 428440900 /nfs/dbraw/zinc/44/09/00/428440900.db2.gz CEOQUEVOQJOBBK-UHFFFAOYSA-N 1 3 306.413 2.997 20 0 DFADHO CC(C)N(C)CC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000357229658 428445409 /nfs/dbraw/zinc/44/54/09/428445409.db2.gz IHWHLZFJQONBFP-MJGOQNOKSA-N 1 3 303.494 2.827 20 0 DFADHO COc1ccc(CC[C@@H](C)[NH2+]C[C@]2(C)CCCNC2)cc1O ZINC000414899246 428449577 /nfs/dbraw/zinc/44/95/77/428449577.db2.gz CIUIDACSYLBBMW-RDTXWAMCSA-N 1 3 306.450 2.701 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000414902363 428451638 /nfs/dbraw/zinc/45/16/38/428451638.db2.gz HFMUECPDORAXIN-BHIYHBOVSA-N 1 3 301.478 2.801 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000414902213 428452149 /nfs/dbraw/zinc/45/21/49/428452149.db2.gz GWDDRAPWMQJBNM-DNVCBOLYSA-N 1 3 317.477 2.945 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000414902213 428452153 /nfs/dbraw/zinc/45/21/53/428452153.db2.gz GWDDRAPWMQJBNM-DNVCBOLYSA-N 1 3 317.477 2.945 20 0 DFADHO Clc1ccccc1CN1CCC(NC[C@H]2CC[NH2+]C2)CC1 ZINC000414916220 428457072 /nfs/dbraw/zinc/45/70/72/428457072.db2.gz PBVRMETUWGLHDL-AWEZNQCLSA-N 1 3 307.869 2.504 20 0 DFADHO Cc1csc(N2CCC(NC[C@@H]3[NH2+]CCCC3(C)C)CC2)n1 ZINC000414921081 428457953 /nfs/dbraw/zinc/45/79/53/428457953.db2.gz ARJSAPJEFGTQOO-HNNXBMFYSA-N 1 3 322.522 2.788 20 0 DFADHO CC1(C)CCCN[C@@H]1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000414927598 428460489 /nfs/dbraw/zinc/46/04/89/428460489.db2.gz MIQIGNGYMYWLIM-CQSZACIVSA-N 1 3 321.431 2.771 20 0 DFADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCN(CCC(F)(F)F)CC1 ZINC000414927598 428460494 /nfs/dbraw/zinc/46/04/94/428460494.db2.gz MIQIGNGYMYWLIM-CQSZACIVSA-N 1 3 321.431 2.771 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C[C@H]2C)c1C ZINC000414934549 428461873 /nfs/dbraw/zinc/46/18/73/428461873.db2.gz FDWRCTYUCVUSCX-YCPHGPKFSA-N 1 3 303.450 2.608 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCNC[C@H]2C)c1C ZINC000414934549 428461877 /nfs/dbraw/zinc/46/18/77/428461877.db2.gz FDWRCTYUCVUSCX-YCPHGPKFSA-N 1 3 303.450 2.608 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414936876 428463128 /nfs/dbraw/zinc/46/31/28/428463128.db2.gz HCCMGRFALIIINR-IJEWVQPXSA-N 1 3 303.450 2.554 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414936876 428463137 /nfs/dbraw/zinc/46/31/37/428463137.db2.gz HCCMGRFALIIINR-IJEWVQPXSA-N 1 3 303.450 2.554 20 0 DFADHO COC[C@@]1(C[NH2+][C@H](C)Cc2ccccc2SC)CCCN1 ZINC000414944666 428465018 /nfs/dbraw/zinc/46/50/18/428465018.db2.gz OIJJWAWDEMGQMG-PBHICJAKSA-N 1 3 308.491 2.698 20 0 DFADHO CC1([NH2+]Cc2ccc(OCc3ccncc3)cc2)CCNCC1 ZINC000414944130 428466540 /nfs/dbraw/zinc/46/65/40/428466540.db2.gz OXLQWXOHPAQORY-UHFFFAOYSA-N 1 3 311.429 2.892 20 0 DFADHO COc1ccc(C[NH2+][C@@H](C)CN)cc1OCc1ccccc1 ZINC000414942672 428467240 /nfs/dbraw/zinc/46/72/40/428467240.db2.gz KMFJMCSXBNVRCJ-AWEZNQCLSA-N 1 3 300.402 2.711 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(F)c(Br)c1 ZINC000414797219 428415878 /nfs/dbraw/zinc/41/58/78/428415878.db2.gz OVDWKWSETMIEBH-MFKMUULPSA-N 1 3 301.203 2.805 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CC2CCN(C)CC2)C1 ZINC000347035410 428416425 /nfs/dbraw/zinc/41/64/25/428416425.db2.gz UQLMSCUSZBQGCE-HOTGVXAUSA-N 1 3 323.525 2.591 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414810987 428417751 /nfs/dbraw/zinc/41/77/51/428417751.db2.gz VULNFTWGWBNWPI-ZMSDIMECSA-N 1 3 303.450 2.819 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414810987 428417757 /nfs/dbraw/zinc/41/77/57/428417757.db2.gz VULNFTWGWBNWPI-ZMSDIMECSA-N 1 3 303.450 2.819 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[C@H]1CN ZINC000414804820 428418135 /nfs/dbraw/zinc/41/81/35/428418135.db2.gz PBXNEZZITCLYQO-ARFHVFGLSA-N 1 3 306.450 2.742 20 0 DFADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)CC(=O)N2CCCCCC2)cc1 ZINC000414809940 428419186 /nfs/dbraw/zinc/41/91/86/428419186.db2.gz HITZJAKHSILKIW-HOTGVXAUSA-N 1 3 317.477 2.977 20 0 DFADHO Cc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1-n1cncn1 ZINC000414813235 428421677 /nfs/dbraw/zinc/42/16/77/428421677.db2.gz SXAILQPDAMWPCD-OAHLLOKOSA-N 1 3 321.428 2.885 20 0 DFADHO C[C@H](CC(=O)N1CCCCCC1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414830047 428427003 /nfs/dbraw/zinc/42/70/03/428427003.db2.gz AKGHXUFIBGXUAE-NVXWUHKLSA-N 1 3 309.498 2.665 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414836996 428431385 /nfs/dbraw/zinc/43/13/85/428431385.db2.gz VHWIMURDDCHURF-KBPBESRZSA-N 1 3 323.868 2.955 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCNC2)c(Cl)c1 ZINC000414836996 428431390 /nfs/dbraw/zinc/43/13/90/428431390.db2.gz VHWIMURDDCHURF-KBPBESRZSA-N 1 3 323.868 2.955 20 0 DFADHO Cc1nc(COc2ccc(C[NH2+][C@H](C)[C@H](C)N)cc2)cs1 ZINC000415019153 428491846 /nfs/dbraw/zinc/49/18/46/428491846.db2.gz ROKAOKXDJHXKAR-NWDGAFQWSA-N 1 3 305.447 2.856 20 0 DFADHO COCCOc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000347203921 428492420 /nfs/dbraw/zinc/49/24/20/428492420.db2.gz LAOJDPGYEQXFNE-IBGZPJMESA-N 1 3 318.461 2.676 20 0 DFADHO [NH3+]C[C@@H]1CC[C@@H](NCc2cc(Br)ccc2F)C1 ZINC000415029133 428492906 /nfs/dbraw/zinc/49/29/06/428492906.db2.gz DIPFABGEGAUDMH-BXKDBHETSA-N 1 3 301.203 2.805 20 0 DFADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CNCCCO1 ZINC000415029381 428493869 /nfs/dbraw/zinc/49/38/69/428493869.db2.gz AWFKKVRTURFDMR-SWLSCSKDSA-N 1 3 316.367 2.605 20 0 DFADHO c1cn(-c2ccc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)cn1 ZINC000415035639 428494974 /nfs/dbraw/zinc/49/49/74/428494974.db2.gz DXYSCHHNODEASE-HKUYNNGSSA-N 1 3 310.445 2.836 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000347216157 428495370 /nfs/dbraw/zinc/49/53/70/428495370.db2.gz RBUZNYLPMIQXIZ-UHFFFAOYSA-N 1 3 316.424 2.833 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@H](C[NH3+])C1CCCC1 ZINC000415044260 428497875 /nfs/dbraw/zinc/49/78/75/428497875.db2.gz BOHNAUSXCKSNHZ-MLGOLLRUSA-N 1 3 307.413 2.650 20 0 DFADHO Clc1ccccc1C1(C[NH2+]C[C@H]2CCCNC2)CCOCC1 ZINC000415075361 428509059 /nfs/dbraw/zinc/50/90/59/428509059.db2.gz DUWPZGFDWABHHZ-HNNXBMFYSA-N 1 3 322.880 2.977 20 0 DFADHO Clc1ccccc1C1(CNC[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000415075361 428509065 /nfs/dbraw/zinc/50/90/65/428509065.db2.gz DUWPZGFDWABHHZ-HNNXBMFYSA-N 1 3 322.880 2.977 20 0 DFADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000397349821 428509559 /nfs/dbraw/zinc/50/95/59/428509559.db2.gz HYYPDHZWVYYPMQ-MGPQQGTHSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1CN ZINC000397349821 428509563 /nfs/dbraw/zinc/50/95/63/428509563.db2.gz HYYPDHZWVYYPMQ-MGPQQGTHSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1CN ZINC000397349821 428509569 /nfs/dbraw/zinc/50/95/69/428509569.db2.gz HYYPDHZWVYYPMQ-MGPQQGTHSA-N 1 3 323.868 2.974 20 0 DFADHO CC1CCN([C@@H](CN[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000415074899 428509931 /nfs/dbraw/zinc/50/99/31/428509931.db2.gz AYWBFNBJAYSYEH-CVEARBPZSA-N 1 3 307.507 2.863 20 0 DFADHO CC(C)[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000415081287 428512000 /nfs/dbraw/zinc/51/20/00/428512000.db2.gz MOOJNLQGPSAOIV-KSSFIOAISA-N 1 3 304.434 2.744 20 0 DFADHO COc1ccc(F)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000360964246 428515517 /nfs/dbraw/zinc/51/55/17/428515517.db2.gz OQUPNOJOPNJXGK-HUUCEWRRSA-N 1 3 324.440 2.813 20 0 DFADHO CC(C)CC(=O)N1CCC(N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000415085777 428516469 /nfs/dbraw/zinc/51/64/69/428516469.db2.gz QUZBRVMGWQKPEV-WMZOPIPTSA-N 1 3 323.525 2.924 20 0 DFADHO CC1CCN([C@@H](CNC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000415084477 428516515 /nfs/dbraw/zinc/51/65/15/428516515.db2.gz OOPSTEMETAYAQG-INIZCTEOSA-N 1 3 307.507 2.863 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN[C@H]1C ZINC000398113435 428517060 /nfs/dbraw/zinc/51/70/60/428517060.db2.gz DVDTXPIMNNXKQT-NEPXVJNWSA-N 1 3 301.478 2.627 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000415094670 428518145 /nfs/dbraw/zinc/51/81/45/428518145.db2.gz FJNVYOQYFFRUDL-NZSAHSFTSA-N 1 3 304.478 2.799 20 0 DFADHO C[C@H](N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000398026302 428518835 /nfs/dbraw/zinc/51/88/35/428518835.db2.gz MBFOMZVZAUHZIA-JFRXWTBNSA-N 1 3 301.478 2.770 20 0 DFADHO CCC[NH+]1CCC(CNCc2cn(C)nc2C(F)F)CC1 ZINC000360975289 428522933 /nfs/dbraw/zinc/52/29/33/428522933.db2.gz NQVDIDLJWQNMPN-UHFFFAOYSA-N 1 3 300.397 2.569 20 0 DFADHO CCOc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415118707 428525799 /nfs/dbraw/zinc/52/57/99/428525799.db2.gz DVXGFLBJGQIEFV-RTBURBONSA-N 1 3 318.461 2.804 20 0 DFADHO Cc1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1F ZINC000415121228 428527780 /nfs/dbraw/zinc/52/77/80/428527780.db2.gz HSYVLDKUSOWZTE-SJLPKXTDSA-N 1 3 306.425 2.852 20 0 DFADHO COc1ccc2c(c1)OC[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000415117615 428527945 /nfs/dbraw/zinc/52/79/45/428527945.db2.gz VTDUQVYXABDFMG-VDHUWJSZSA-N 1 3 316.445 2.509 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1cn2ccccc2n1 ZINC000415122164 428529960 /nfs/dbraw/zinc/52/99/60/428529960.db2.gz ZYZQNOADOYENOQ-JKSUJKDBSA-N 1 3 300.450 2.777 20 0 DFADHO C[C@H](NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000390551565 428472461 /nfs/dbraw/zinc/47/24/61/428472461.db2.gz CQNYNUHPGGPHCA-YTQUADARSA-N 1 3 301.478 2.771 20 0 DFADHO CC[C@@H](N)C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414975272 428478570 /nfs/dbraw/zinc/47/85/70/428478570.db2.gz FZAWMLYBGHJZFN-GFCCVEGCSA-N 1 3 312.339 2.718 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353530478 428581852 /nfs/dbraw/zinc/58/18/52/428581852.db2.gz SRBUXTNPPDOTMP-VQHPVUNQSA-N 1 3 318.461 2.925 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353530478 428581860 /nfs/dbraw/zinc/58/18/60/428581860.db2.gz SRBUXTNPPDOTMP-VQHPVUNQSA-N 1 3 318.461 2.925 20 0 DFADHO CSc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000353541885 428584723 /nfs/dbraw/zinc/58/47/23/428584723.db2.gz JOKSOCBHMJTFPI-UHFFFAOYSA-N 1 3 308.491 2.951 20 0 DFADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3)C2)nn1 ZINC000415128530 428532278 /nfs/dbraw/zinc/53/22/78/428532278.db2.gz OGKXNIZCJNRGRW-LJQANCHMSA-N 1 3 321.428 2.727 20 0 DFADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc4ccccc4c3)C2)nn1 ZINC000415128530 428532283 /nfs/dbraw/zinc/53/22/83/428532283.db2.gz OGKXNIZCJNRGRW-LJQANCHMSA-N 1 3 321.428 2.727 20 0 DFADHO COCc1cccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415131662 428532494 /nfs/dbraw/zinc/53/24/94/428532494.db2.gz ZXNCIQWOMMNPCY-OALUTQOASA-N 1 3 318.461 2.551 20 0 DFADHO Cc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1F ZINC000415137205 428534582 /nfs/dbraw/zinc/53/45/82/428534582.db2.gz XYFLJNFYJHCQOL-ROUUACIJSA-N 1 3 306.425 2.852 20 0 DFADHO CC(C)c1ccc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000415138213 428535613 /nfs/dbraw/zinc/53/56/13/428535613.db2.gz YOZHTYQEGZMRCG-SFHVURJKSA-N 1 3 313.449 2.697 20 0 DFADHO CC(C)c1ccc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000415138213 428535620 /nfs/dbraw/zinc/53/56/20/428535620.db2.gz YOZHTYQEGZMRCG-SFHVURJKSA-N 1 3 313.449 2.697 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000353438785 428536194 /nfs/dbraw/zinc/53/61/94/428536194.db2.gz VULKAKCOXXNUQI-WJFTUGDTSA-N 1 3 301.478 2.752 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000353438785 428536197 /nfs/dbraw/zinc/53/61/97/428536197.db2.gz VULKAKCOXXNUQI-WJFTUGDTSA-N 1 3 301.478 2.752 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000353438785 428536202 /nfs/dbraw/zinc/53/62/02/428536202.db2.gz VULKAKCOXXNUQI-WJFTUGDTSA-N 1 3 301.478 2.752 20 0 DFADHO Cc1ccccc1-c1cccc(CN2CCC(O)(C[NH3+])CC2)c1 ZINC000415146606 428536724 /nfs/dbraw/zinc/53/67/24/428536724.db2.gz YTMJHDLUMACZDI-UHFFFAOYSA-N 1 3 310.441 2.948 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H]2CCC[C@@H]21 ZINC000353439351 428538156 /nfs/dbraw/zinc/53/81/56/428538156.db2.gz WRSLWCZLDRNOTQ-UFYCRDLUSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)[C@@H]2CCC[C@@H]21 ZINC000353439351 428538161 /nfs/dbraw/zinc/53/81/61/428538161.db2.gz WRSLWCZLDRNOTQ-UFYCRDLUSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)[C@@H]2CCC[C@@H]21 ZINC000353439351 428538168 /nfs/dbraw/zinc/53/81/68/428538168.db2.gz WRSLWCZLDRNOTQ-UFYCRDLUSA-N 1 3 324.472 2.894 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccsc1 ZINC000353449746 428538856 /nfs/dbraw/zinc/53/88/56/428538856.db2.gz SFWZOGTYMAJWSR-WCXIOVBPSA-N 1 3 307.507 2.813 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccsc1 ZINC000353449746 428538859 /nfs/dbraw/zinc/53/88/59/428538859.db2.gz SFWZOGTYMAJWSR-WCXIOVBPSA-N 1 3 307.507 2.813 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)c1ccsc1 ZINC000353449746 428538863 /nfs/dbraw/zinc/53/88/63/428538863.db2.gz SFWZOGTYMAJWSR-WCXIOVBPSA-N 1 3 307.507 2.813 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000373285047 428540891 /nfs/dbraw/zinc/54/08/91/428540891.db2.gz NHTUEYCIHINZKD-KRWDZBQOSA-N 1 3 320.452 2.679 20 0 DFADHO CC(C)[C@H](CN(C)Cc1ccccc1)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400454641 428545566 /nfs/dbraw/zinc/54/55/66/428545566.db2.gz RZRALHZIDPUAQX-WDSOQIARSA-N 1 3 303.494 2.873 20 0 DFADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C)CN(C)C ZINC000400449739 428545722 /nfs/dbraw/zinc/54/57/22/428545722.db2.gz QNCQAYULRLBABF-ILXRZTDVSA-N 1 3 313.486 2.562 20 0 DFADHO C[C@H](CN[C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C)C[NH+](C)C ZINC000400449739 428545725 /nfs/dbraw/zinc/54/57/25/428545725.db2.gz QNCQAYULRLBABF-ILXRZTDVSA-N 1 3 313.486 2.562 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353454988 428545856 /nfs/dbraw/zinc/54/58/56/428545856.db2.gz NBWYLIVALMNSSD-AKHDSKFASA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353454988 428545860 /nfs/dbraw/zinc/54/58/60/428545860.db2.gz NBWYLIVALMNSSD-AKHDSKFASA-N 1 3 319.468 2.891 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353454988 428545864 /nfs/dbraw/zinc/54/58/64/428545864.db2.gz NBWYLIVALMNSSD-AKHDSKFASA-N 1 3 319.468 2.891 20 0 DFADHO Brc1ccccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400979150 428550321 /nfs/dbraw/zinc/55/03/21/428550321.db2.gz HTDCQMVOJHAYEY-IACUBPJLSA-N 1 3 309.251 2.927 20 0 DFADHO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)C1(c2ccccc2)CCCC1 ZINC000343520208 428553538 /nfs/dbraw/zinc/55/35/38/428553538.db2.gz CXZICGHSFOXGGZ-PKOBYXMFSA-N 1 3 316.489 2.933 20 0 DFADHO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000373392968 428564767 /nfs/dbraw/zinc/56/47/67/428564767.db2.gz KNAWYTMPEMHQNM-KZNAEPCWSA-N 1 3 307.526 2.959 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000353501363 428568078 /nfs/dbraw/zinc/56/80/78/428568078.db2.gz MOQYKKQJGKLAGK-WMZOPIPTSA-N 1 3 319.493 2.790 20 0 DFADHO CCOc1ccccc1OCCN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404399312 428570066 /nfs/dbraw/zinc/57/00/66/428570066.db2.gz QBKXFLBRISRFQU-HZPDHXFCSA-N 1 3 306.450 2.913 20 0 DFADHO CC(C)C[C@@H](CNC(=O)[C@@H](C(C)C)N1CCCCC1)[NH+](C)C ZINC000358047350 428577277 /nfs/dbraw/zinc/57/72/77/428577277.db2.gz QQTKSTQOODLIJP-DLBZAZTESA-N 1 3 311.514 2.589 20 0 DFADHO CC(C)Oc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000361884782 428603505 /nfs/dbraw/zinc/60/35/05/428603505.db2.gz FVCZQEWIHKJDOJ-HNNXBMFYSA-N 1 3 306.450 2.581 20 0 DFADHO CCN(CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)CCC(F)(F)F ZINC000353608009 428619422 /nfs/dbraw/zinc/61/94/22/428619422.db2.gz QUOHMZNVIKGBBM-RRFJBIMHSA-N 1 3 321.431 2.723 20 0 DFADHO CCN(CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)CCC(F)(F)F ZINC000353608009 428619425 /nfs/dbraw/zinc/61/94/25/428619425.db2.gz QUOHMZNVIKGBBM-RRFJBIMHSA-N 1 3 321.431 2.723 20 0 DFADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000344299962 428629443 /nfs/dbraw/zinc/62/94/43/428629443.db2.gz GNBVUZINDIFWDU-HNNXBMFYSA-N 1 3 313.445 2.726 20 0 DFADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000344299962 428629445 /nfs/dbraw/zinc/62/94/45/428629445.db2.gz GNBVUZINDIFWDU-HNNXBMFYSA-N 1 3 313.445 2.726 20 0 DFADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000344302006 428629581 /nfs/dbraw/zinc/62/95/81/428629581.db2.gz VKJGFHHWQLKSBM-XDNAFOTISA-N 1 3 306.494 2.902 20 0 DFADHO CCCCn1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c(C)n1 ZINC000353628792 428631601 /nfs/dbraw/zinc/63/16/01/428631601.db2.gz BWAZIROJPFGQDL-RCCFBDPRSA-N 1 3 304.482 2.954 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)NCCN2CCC(C)CC2)c1 ZINC000415936665 428631715 /nfs/dbraw/zinc/63/17/15/428631715.db2.gz UHDXKFVJFTXKRI-UHFFFAOYSA-N 1 3 318.465 2.650 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cccc(CNC)c1 ZINC000415939042 428632980 /nfs/dbraw/zinc/63/29/80/428632980.db2.gz ZRZOEGAJLNWHSV-CQSZACIVSA-N 1 3 306.454 2.648 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cccc(CNC)c1 ZINC000415939042 428632986 /nfs/dbraw/zinc/63/29/86/428632986.db2.gz ZRZOEGAJLNWHSV-CQSZACIVSA-N 1 3 306.454 2.648 20 0 DFADHO COCC[N@H+](C)CCCN[C@H]1CCCc2ccc(OC)cc21 ZINC000268837112 274022635 /nfs/dbraw/zinc/02/26/35/274022635.db2.gz SJJBWELDOSJWLU-SFHVURJKSA-N 1 3 306.450 2.631 20 0 DFADHO COCC[N@@H+](C)CCCN[C@H]1CCCc2ccc(OC)cc21 ZINC000268837112 274022636 /nfs/dbraw/zinc/02/26/36/274022636.db2.gz SJJBWELDOSJWLU-SFHVURJKSA-N 1 3 306.450 2.631 20 0 DFADHO C[N@@H+]1CC[C@H](NCCNc2ccc3ccccc3n2)[C@@H]2CCC[C@@H]21 ZINC000353647232 428636564 /nfs/dbraw/zinc/63/65/64/428636564.db2.gz QZHVPNOTLKDBGF-WDSOQIARSA-N 1 3 324.472 3.109 20 0 DFADHO C[N@H+]1CC[C@H](NCCNc2ccc3ccccc3n2)[C@@H]2CCC[C@@H]21 ZINC000353647232 428636571 /nfs/dbraw/zinc/63/65/71/428636571.db2.gz QZHVPNOTLKDBGF-WDSOQIARSA-N 1 3 324.472 3.109 20 0 DFADHO C[NH2+]Cc1ccc(NC(=O)N(CCN(C)C)C2CCCC2)cc1 ZINC000415974610 428640268 /nfs/dbraw/zinc/64/02/68/428640268.db2.gz RDQMTDKXLLLFBY-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO CC[C@]1(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CC[NH2+]C1 ZINC000362158195 428641515 /nfs/dbraw/zinc/64/15/15/428641515.db2.gz CXAUARVAYOHDKA-KXBFYZLASA-N 1 3 317.477 2.622 20 0 DFADHO C[N@@H+]1CC[C@H](NCCNc2ccc3ccccc3n2)[C@@H]2CCC[C@H]21 ZINC000353647233 428635855 /nfs/dbraw/zinc/63/58/55/428635855.db2.gz QZHVPNOTLKDBGF-YTQUADARSA-N 1 3 324.472 3.109 20 0 DFADHO C[N@H+]1CC[C@H](NCCNc2ccc3ccccc3n2)[C@@H]2CCC[C@H]21 ZINC000353647233 428635857 /nfs/dbraw/zinc/63/58/57/428635857.db2.gz QZHVPNOTLKDBGF-YTQUADARSA-N 1 3 324.472 3.109 20 0 DFADHO CC[N@H+](CCC1CCN([C@H](C)C(=O)N(C)C)CC1)CC(C)C ZINC000358742471 428654786 /nfs/dbraw/zinc/65/47/86/428654786.db2.gz FFZXFQZODLPBTJ-MRXNPFEDSA-N 1 3 311.514 2.543 20 0 DFADHO CC[N@@H+](CCC1CCN([C@H](C)C(=O)N(C)C)CC1)CC(C)C ZINC000358742471 428654789 /nfs/dbraw/zinc/65/47/89/428654789.db2.gz FFZXFQZODLPBTJ-MRXNPFEDSA-N 1 3 311.514 2.543 20 0 DFADHO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C)[C@@H]3CCC[C@@H]31)CCO2 ZINC000353680452 428656025 /nfs/dbraw/zinc/65/60/25/428656025.db2.gz JTEUCXXDNVCZRE-VDHUWJSZSA-N 1 3 316.445 2.981 20 0 DFADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000091333215 274246716 /nfs/dbraw/zinc/24/67/16/274246716.db2.gz SZFBVFFMRXVSBY-CQSZACIVSA-N 1 3 300.450 2.956 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000353658295 274355495 /nfs/dbraw/zinc/35/54/95/274355495.db2.gz KWLVRWFZNKVSEM-BPQIPLTHSA-N 1 3 324.472 2.767 20 0 DFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000353764410 428704522 /nfs/dbraw/zinc/70/45/22/428704522.db2.gz XYBRFDRVFUMHQM-QZTJIDSGSA-N 1 3 321.509 2.632 20 0 DFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000353764410 428704527 /nfs/dbraw/zinc/70/45/27/428704527.db2.gz XYBRFDRVFUMHQM-QZTJIDSGSA-N 1 3 321.509 2.632 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](CO)c2ccccc2Cl)[C@@H](C)C1 ZINC000348403401 428732975 /nfs/dbraw/zinc/73/29/75/428732975.db2.gz LVGGUHNOEFFESI-ZQIUZPCESA-N 1 3 310.869 2.736 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](CO)c2ccccc2Cl)[C@@H](C)C1 ZINC000348403401 428732981 /nfs/dbraw/zinc/73/29/81/428732981.db2.gz LVGGUHNOEFFESI-ZQIUZPCESA-N 1 3 310.869 2.736 20 0 DFADHO CC[N@H+](CCNC(=O)C[C@H](c1ccccc1)N(C)C)C(C)C ZINC000416155448 428679306 /nfs/dbraw/zinc/67/93/06/428679306.db2.gz DGSLQYBBNIMFMI-QGZVFWFLSA-N 1 3 305.466 2.526 20 0 DFADHO CC[N@@H+](CCNC(=O)C[C@H](c1ccccc1)N(C)C)C(C)C ZINC000416155448 428679311 /nfs/dbraw/zinc/67/93/11/428679311.db2.gz DGSLQYBBNIMFMI-QGZVFWFLSA-N 1 3 305.466 2.526 20 0 DFADHO CCCCNC(=O)C1([NH2+]CC[C@@H]2CCCN2C)CCCCC1 ZINC000348257336 428681733 /nfs/dbraw/zinc/68/17/33/428681733.db2.gz RNYAJELVCCEXEW-INIZCTEOSA-N 1 3 309.498 2.680 20 0 DFADHO CC[C@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)N(CC)CC ZINC000344648565 428688155 /nfs/dbraw/zinc/68/81/55/428688155.db2.gz DGJSZNMGKXTANU-SJORKVTESA-N 1 3 311.514 2.734 20 0 DFADHO CC(C)(C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)CN1CCCC1 ZINC000348273672 428690552 /nfs/dbraw/zinc/69/05/52/428690552.db2.gz AUANRQANXAMCNA-CHWSQXEVSA-N 1 3 308.388 2.808 20 0 DFADHO Clc1ccc(CCNC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000362297724 428694809 /nfs/dbraw/zinc/69/48/09/428694809.db2.gz DDEJBWBUJDYWSA-INIZCTEOSA-N 1 3 322.880 2.973 20 0 DFADHO CCS[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000348476027 428755171 /nfs/dbraw/zinc/75/51/71/428755171.db2.gz FVJYGYYBQIECBN-DLBZAZTESA-N 1 3 313.555 2.666 20 0 DFADHO CN1CC=C(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000345171277 428782044 /nfs/dbraw/zinc/78/20/44/428782044.db2.gz VHMGRSGEYNPIPQ-UHFFFAOYSA-N 1 3 314.351 2.979 20 0 DFADHO CC(C)SCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000374911257 428783980 /nfs/dbraw/zinc/78/39/80/428783980.db2.gz KVKNLXPLDZYXKM-IYBDPMFKSA-N 1 3 314.539 2.949 20 0 DFADHO CC(C)(C)[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411368629 428784662 /nfs/dbraw/zinc/78/46/62/428784662.db2.gz OPXGQJNSTMNAFQ-QGZVFWFLSA-N 1 3 317.477 2.662 20 0 DFADHO CSc1cc2c(cc1CNCC1=CC[N@H+](C)CC1)OCCO2 ZINC000345173764 428784879 /nfs/dbraw/zinc/78/48/79/428784879.db2.gz MOCHGYBUNIKPNP-UHFFFAOYSA-N 1 3 320.458 2.531 20 0 DFADHO CSc1cc2c(cc1CNCC1=CC[N@@H+](C)CC1)OCCO2 ZINC000345173764 428784882 /nfs/dbraw/zinc/78/48/82/428784882.db2.gz MOCHGYBUNIKPNP-UHFFFAOYSA-N 1 3 320.458 2.531 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCN2CCCC[C@H]2C)[C@@H]1C ZINC000353944126 428789195 /nfs/dbraw/zinc/78/91/95/428789195.db2.gz JSYKXTKZKRVNBD-NCOADZHNSA-N 1 3 310.482 2.818 20 0 DFADHO CCOC[C@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000375305094 428848168 /nfs/dbraw/zinc/84/81/68/428848168.db2.gz YVQGTTSQKVBGGS-HNNXBMFYSA-N 1 3 306.450 2.674 20 0 DFADHO CC[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)N(CC)CC ZINC000345206716 428798798 /nfs/dbraw/zinc/79/87/98/428798798.db2.gz JBPJPCJWAFXFHX-GOSISDBHSA-N 1 3 323.525 2.878 20 0 DFADHO Cc1cc(CC[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)on1 ZINC000353978369 428803197 /nfs/dbraw/zinc/80/31/97/428803197.db2.gz KOYUODLJUURXKB-OAHLLOKOSA-N 1 3 317.433 2.817 20 0 DFADHO C[C@@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@H]1O ZINC000411562759 428817478 /nfs/dbraw/zinc/81/74/78/428817478.db2.gz BYISKQJHJBYHEL-VQIMIIECSA-N 1 3 302.462 2.875 20 0 DFADHO CC[C@H]1CCCC[C@H]1N(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411599729 428822122 /nfs/dbraw/zinc/82/21/22/428822122.db2.gz COJQVPOITCRGDG-FUHWJXTLSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)[C@H]1CO ZINC000411620002 428825497 /nfs/dbraw/zinc/82/54/97/428825497.db2.gz PJIDKLZSVOEUPN-LPHOPBHVSA-N 1 3 302.462 2.875 20 0 DFADHO C[C@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)[C@H]1CO ZINC000411620002 428825503 /nfs/dbraw/zinc/82/55/03/428825503.db2.gz PJIDKLZSVOEUPN-LPHOPBHVSA-N 1 3 302.462 2.875 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000359117265 428825791 /nfs/dbraw/zinc/82/57/91/428825791.db2.gz SFRMQAJNIVDHAN-RLLQIKCJSA-N 1 3 315.505 2.971 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccccc1OC ZINC000349059966 428909040 /nfs/dbraw/zinc/90/90/40/428909040.db2.gz CWSFDMVWNSJGKG-GOSISDBHSA-N 1 3 319.493 2.543 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccccc1OC ZINC000349059966 428909045 /nfs/dbraw/zinc/90/90/45/428909045.db2.gz CWSFDMVWNSJGKG-GOSISDBHSA-N 1 3 319.493 2.543 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CCCCCF)CC2)C[C@@H](C)O1 ZINC000375393125 428871754 /nfs/dbraw/zinc/87/17/54/428871754.db2.gz XLXCWLAVRJXZRW-HZPDHXFCSA-N 1 3 300.462 2.947 20 0 DFADHO C[N@@H+]1CCC[C@H](CNCCOCC(F)F)[C@H]1c1ccccc1 ZINC000375450313 428886289 /nfs/dbraw/zinc/88/62/89/428886289.db2.gz XDTSKYZIPPBQDU-NVXWUHKLSA-N 1 3 312.404 2.941 20 0 DFADHO C[N@H+]1CCC[C@H](CNCCOCC(F)F)[C@H]1c1ccccc1 ZINC000375450313 428886294 /nfs/dbraw/zinc/88/62/94/428886294.db2.gz XDTSKYZIPPBQDU-NVXWUHKLSA-N 1 3 312.404 2.941 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN(C)C)cc2)[C@H]1C ZINC000354163307 428895155 /nfs/dbraw/zinc/89/51/55/428895155.db2.gz MFFXYURNEIKNEG-WBAXXEDZSA-N 1 3 318.461 2.816 20 0 DFADHO C[C@H]1OCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354174345 428898695 /nfs/dbraw/zinc/89/86/95/428898695.db2.gz XCNQNKFNMJDUGX-IPFAQRCESA-N 1 3 300.446 2.949 20 0 DFADHO C[C@H]1OCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354174345 428898700 /nfs/dbraw/zinc/89/87/00/428898700.db2.gz XCNQNKFNMJDUGX-IPFAQRCESA-N 1 3 300.446 2.949 20 0 DFADHO Cn1c2ccccc2nc1CCN(CCC[NH3+])Cc1ccccc1 ZINC000359290175 428905331 /nfs/dbraw/zinc/90/53/31/428905331.db2.gz QYYPQKDVAPFCIM-UHFFFAOYSA-N 1 3 322.456 2.967 20 0 DFADHO Cc1ccc(-c2ccc(CNCCOCC[NH+](C)C)o2)cc1 ZINC000354191298 428906098 /nfs/dbraw/zinc/90/60/98/428906098.db2.gz MSPWBLCDKCKDRM-UHFFFAOYSA-N 1 3 302.418 2.923 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000354226433 428926904 /nfs/dbraw/zinc/92/69/04/428926904.db2.gz WDCNXBVJWAEHNP-WMLDXEAASA-N 1 3 321.440 2.959 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000354226433 428926908 /nfs/dbraw/zinc/92/69/08/428926908.db2.gz WDCNXBVJWAEHNP-WMLDXEAASA-N 1 3 321.440 2.959 20 0 DFADHO CCN1CC[C@H]([N@H+](C)Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000354226709 428929192 /nfs/dbraw/zinc/92/91/92/428929192.db2.gz XMZSOFFQTOSARS-KSSFIOAISA-N 1 3 303.450 2.950 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000354226709 428929197 /nfs/dbraw/zinc/92/91/97/428929197.db2.gz XMZSOFFQTOSARS-KSSFIOAISA-N 1 3 303.450 2.950 20 0 DFADHO Cc1cc(C(F)(F)F)ccc1CNCCOCC[NH+](C)C ZINC000349218280 428941041 /nfs/dbraw/zinc/94/10/41/428941041.db2.gz OXLMJDADZPBLSF-UHFFFAOYSA-N 1 3 304.356 2.682 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000359373103 428945435 /nfs/dbraw/zinc/94/54/35/428945435.db2.gz UFDKIWBOUAEGSM-QRQLOZEOSA-N 1 3 301.478 2.753 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000359373103 428945440 /nfs/dbraw/zinc/94/54/40/428945440.db2.gz UFDKIWBOUAEGSM-QRQLOZEOSA-N 1 3 301.478 2.753 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000359373103 428945446 /nfs/dbraw/zinc/94/54/46/428945446.db2.gz UFDKIWBOUAEGSM-QRQLOZEOSA-N 1 3 301.478 2.753 20 0 DFADHO C[C@@H]1CCC[C@H](CCN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000363615488 428956348 /nfs/dbraw/zinc/95/63/48/428956348.db2.gz JLBILFIDQWDEKV-GUDVDZBRSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1CCC[C@H](CCN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000363615488 428956351 /nfs/dbraw/zinc/95/63/51/428956351.db2.gz JLBILFIDQWDEKV-GUDVDZBRSA-N 1 3 307.526 2.915 20 0 DFADHO COCCSCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000375734644 428956555 /nfs/dbraw/zinc/95/65/55/428956555.db2.gz XHOTWNLAHRZKIA-DOTOQJQBSA-N 1 3 312.523 2.705 20 0 DFADHO COCCSCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000375734644 428956559 /nfs/dbraw/zinc/95/65/59/428956559.db2.gz XHOTWNLAHRZKIA-DOTOQJQBSA-N 1 3 312.523 2.705 20 0 DFADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CCN2CCC1CC2 ZINC000349295919 428956700 /nfs/dbraw/zinc/95/67/00/428956700.db2.gz KZEBJJWVNDVCNP-UHFFFAOYSA-N 1 3 315.505 2.925 20 0 DFADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCN2CCC1CC2 ZINC000349295919 428956705 /nfs/dbraw/zinc/95/67/05/428956705.db2.gz KZEBJJWVNDVCNP-UHFFFAOYSA-N 1 3 315.505 2.925 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)[C@@H]1C ZINC000354327358 428969720 /nfs/dbraw/zinc/96/97/20/428969720.db2.gz GUTGRZGKNMFCRG-QZWWFDLISA-N 1 3 310.482 2.674 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)C[C@H]2CCC[NH2+]CC2)c1 ZINC000423779698 429017729 /nfs/dbraw/zinc/01/77/29/429017729.db2.gz FSFDRIAOSFHWHZ-HNNXBMFYSA-N 1 3 303.450 2.775 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCCC1)N1CCCCC1 ZINC000354571800 428999077 /nfs/dbraw/zinc/99/90/77/428999077.db2.gz GDWUZSWKNJZURP-MSOLQXFVSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423728455 429004211 /nfs/dbraw/zinc/00/42/11/429004211.db2.gz MSDVUUYQMADBGR-YVSFHVDLSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423728455 429004214 /nfs/dbraw/zinc/00/42/14/429004214.db2.gz MSDVUUYQMADBGR-YVSFHVDLSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000423726744 429004913 /nfs/dbraw/zinc/00/49/13/429004913.db2.gz KGGFXYQYEVIRMW-XHSDSOJGSA-N 1 3 307.482 2.512 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000423726744 429004921 /nfs/dbraw/zinc/00/49/21/429004921.db2.gz KGGFXYQYEVIRMW-XHSDSOJGSA-N 1 3 307.482 2.512 20 0 DFADHO CN[C@H](CC(C)(C)C)C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423721889 429005848 /nfs/dbraw/zinc/00/58/48/429005848.db2.gz CJNBJTRRKNGYTP-YYIAUSFCSA-N 1 3 323.525 2.874 20 0 DFADHO CN[C@H](CC(C)(C)C)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423721889 429005853 /nfs/dbraw/zinc/00/58/53/429005853.db2.gz CJNBJTRRKNGYTP-YYIAUSFCSA-N 1 3 323.525 2.874 20 0 DFADHO CC(C)CN(C(=O)c1ccc([C@H](C)[NH3+])cc1)C1CCN(C)CC1 ZINC000423737433 429007047 /nfs/dbraw/zinc/00/70/47/429007047.db2.gz APOUDSVGORQEGC-HNNXBMFYSA-N 1 3 317.477 2.899 20 0 DFADHO CCc1ccc([C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375897130 429012016 /nfs/dbraw/zinc/01/20/16/429012016.db2.gz DJEKRPFJFNDABN-WJFTUGDTSA-N 1 3 302.462 2.745 20 0 DFADHO CCc1ccc([C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375897130 429012022 /nfs/dbraw/zinc/01/20/22/429012022.db2.gz DJEKRPFJFNDABN-WJFTUGDTSA-N 1 3 302.462 2.745 20 0 DFADHO COCC[NH+]1CCC(NCc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000349602005 429012846 /nfs/dbraw/zinc/01/28/46/429012846.db2.gz USBNFXYGGHNHFC-UHFFFAOYSA-N 1 3 315.461 2.985 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)[C@H](C)N ZINC000423457156 429091115 /nfs/dbraw/zinc/09/11/15/429091115.db2.gz FNSSKCKTIVSCIH-JOAULVNJSA-N 1 3 301.203 2.901 20 0 DFADHO C[C@@H]([NH3+])[C@H](C)N[C@H](C)Cc1ccc(F)cc1Br ZINC000423464213 429092987 /nfs/dbraw/zinc/09/29/87/429092987.db2.gz LYDQKCJNZCBSMR-BBBLOLIVSA-N 1 3 303.219 2.845 20 0 DFADHO COC[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C(C)C ZINC000423474326 429094145 /nfs/dbraw/zinc/09/41/45/429094145.db2.gz ONZQVGJXMWLGLU-CGTJXYLNSA-N 1 3 308.441 2.779 20 0 DFADHO COC[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C(C)C ZINC000423474326 429094152 /nfs/dbraw/zinc/09/41/52/429094152.db2.gz ONZQVGJXMWLGLU-CGTJXYLNSA-N 1 3 308.441 2.779 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](CC(C)(C)C)C2)CC1 ZINC000452081159 429052129 /nfs/dbraw/zinc/05/21/29/429052129.db2.gz PWCXFMDHAOCLJJ-MRXNPFEDSA-N 1 3 323.525 2.734 20 0 DFADHO FC(F)(F)[C@H]1C[C@@H]([NH2+]CCNC2CCCCCC2)CCO1 ZINC000423280544 429055896 /nfs/dbraw/zinc/05/58/96/429055896.db2.gz SWGLMQOIYDDSPC-UONOGXRCSA-N 1 3 308.388 2.998 20 0 DFADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423283336 429056185 /nfs/dbraw/zinc/05/61/85/429056185.db2.gz XATNFWNPTLTRIG-YOEHRIQHSA-N 1 3 316.449 2.633 20 0 DFADHO c1cncc(-c2cnccc2NC2CC[NH+](CC3CC3)CC2)c1 ZINC000376100468 429057229 /nfs/dbraw/zinc/05/72/29/429057229.db2.gz AXKCYRSUXSVXOQ-UHFFFAOYSA-N 1 3 308.429 2.852 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](N)C(C)C)c2ccccc21 ZINC000423284057 429057311 /nfs/dbraw/zinc/05/73/11/429057311.db2.gz XNBVXJHIAAPEOS-IXDOHACOSA-N 1 3 304.434 2.741 20 0 DFADHO CCC(N)(CC)C[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000423289105 429058602 /nfs/dbraw/zinc/05/86/02/429058602.db2.gz WFCYTVOEEZLZID-OAHLLOKOSA-N 1 3 305.466 2.691 20 0 DFADHO C[C@H](CN)C[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000423303804 429061528 /nfs/dbraw/zinc/06/15/28/429061528.db2.gz JOWJHBCIMBIQJQ-NXEZZACHSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@H](C[NH3+])CN[C@H](C)Cc1ccc(F)cc1Br ZINC000423303804 429061531 /nfs/dbraw/zinc/06/15/31/429061531.db2.gz JOWJHBCIMBIQJQ-NXEZZACHSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423320382 429063639 /nfs/dbraw/zinc/06/36/39/429063639.db2.gz GEZQIFYHNFBUST-AWEZNQCLSA-N 1 3 314.433 2.531 20 0 DFADHO [NH3+][C@@H](CN[C@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000423334592 429067057 /nfs/dbraw/zinc/06/70/57/429067057.db2.gz WTKQOIDDWUBVAF-WFASDCNBSA-N 1 3 309.251 2.633 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1)c1ccsc1 ZINC000423332786 429067449 /nfs/dbraw/zinc/06/74/49/429067449.db2.gz RDGZLDIUMTYBOK-CWRNSKLLSA-N 1 3 323.506 2.635 20 0 DFADHO CC(C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)C(F)(F)F ZINC000423978353 429069354 /nfs/dbraw/zinc/06/93/54/429069354.db2.gz LUVFFFUNBJFZHS-SSDOTTSWSA-N 1 3 307.341 2.747 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423349807 429070481 /nfs/dbraw/zinc/07/04/81/429070481.db2.gz XNUPUZLZKLNDLC-CQSZACIVSA-N 1 3 316.449 2.787 20 0 DFADHO CC(C)[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000423361626 429072712 /nfs/dbraw/zinc/07/27/12/429072712.db2.gz AKCIEMOIJVTGMI-GHJWDPDVSA-N 1 3 303.406 2.818 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1 ZINC000423365775 429074486 /nfs/dbraw/zinc/07/44/86/429074486.db2.gz PSGASNYWUBHJFV-QLFBSQMISA-N 1 3 303.450 2.557 20 0 DFADHO C[NH+](C)CCc1ccc(NC(=O)[C@H]2NCCCC2(C)C)cc1 ZINC000423372879 429075012 /nfs/dbraw/zinc/07/50/12/429075012.db2.gz HILYDLPAKNIMOT-MRXNPFEDSA-N 1 3 303.450 2.507 20 0 DFADHO COCCOCC[N@@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000376202731 429075588 /nfs/dbraw/zinc/07/55/88/429075588.db2.gz DYLGVUXHOBAAPW-IBGZPJMESA-N 1 3 320.477 2.636 20 0 DFADHO COCCOCC[N@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000376202731 429075593 /nfs/dbraw/zinc/07/55/93/429075593.db2.gz DYLGVUXHOBAAPW-IBGZPJMESA-N 1 3 320.477 2.636 20 0 DFADHO CCOC(=O)C1(C)CCC(NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423377242 429077484 /nfs/dbraw/zinc/07/74/84/429077484.db2.gz FCJZCFDOWDWNIA-CSLYMUCUSA-N 1 3 310.482 2.866 20 0 DFADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@H]2C)cc1 ZINC000423401454 429080727 /nfs/dbraw/zinc/08/07/27/429080727.db2.gz QWPUARVYXOZWPL-KEYYUXOJSA-N 1 3 318.465 2.865 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCNC[C@H]2C)cc1OC ZINC000423407429 429080899 /nfs/dbraw/zinc/08/08/99/429080899.db2.gz VTSKGGZUOKVCIZ-YCPHGPKFSA-N 1 3 306.450 2.531 20 0 DFADHO COc1cc(C)c(C[C@H](C)N[C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000423407429 429080904 /nfs/dbraw/zinc/08/09/04/429080904.db2.gz VTSKGGZUOKVCIZ-YCPHGPKFSA-N 1 3 306.450 2.531 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000423419295 429085726 /nfs/dbraw/zinc/08/57/26/429085726.db2.gz VOYQBPHXOFKBOD-ZWKOTPCHSA-N 1 3 321.509 2.665 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000423419295 429085731 /nfs/dbraw/zinc/08/57/31/429085731.db2.gz VOYQBPHXOFKBOD-ZWKOTPCHSA-N 1 3 321.509 2.665 20 0 DFADHO Clc1ccccc1C[C@@H]([NH2+]C[C@H]1CNCCCO1)C1CC1 ZINC000423496728 429098194 /nfs/dbraw/zinc/09/81/94/429098194.db2.gz XKFJDVBSEPISLR-NVXWUHKLSA-N 1 3 308.853 2.629 20 0 DFADHO Clc1ccccc1C[C@@H](NC[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000423496728 429098195 /nfs/dbraw/zinc/09/81/95/429098195.db2.gz XKFJDVBSEPISLR-NVXWUHKLSA-N 1 3 308.853 2.629 20 0 DFADHO CCN1CCC[C@@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424156193 429100172 /nfs/dbraw/zinc/10/01/72/429100172.db2.gz NZJPULVYHDPODL-DLBZAZTESA-N 1 3 309.498 2.665 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)C1 ZINC000423506506 429101195 /nfs/dbraw/zinc/10/11/95/429101195.db2.gz HWMWKTUQTWYHHA-AKHDSKFASA-N 1 3 324.472 2.792 20 0 DFADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1(C)C ZINC000423517799 429105428 /nfs/dbraw/zinc/10/54/28/429105428.db2.gz BXOASPCLFOVNQK-UVJYYNGJSA-N 1 3 306.494 2.789 20 0 DFADHO CO[C@@H]1[C@H](C)[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000423517799 429105430 /nfs/dbraw/zinc/10/54/30/429105430.db2.gz BXOASPCLFOVNQK-UVJYYNGJSA-N 1 3 306.494 2.789 20 0 DFADHO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1(C)C ZINC000423517796 429105896 /nfs/dbraw/zinc/10/58/96/429105896.db2.gz BXOASPCLFOVNQK-UUNQGPLZSA-N 1 3 306.494 2.789 20 0 DFADHO CO[C@@H]1[C@@H](C)[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000423517796 429105902 /nfs/dbraw/zinc/10/59/02/429105902.db2.gz BXOASPCLFOVNQK-UUNQGPLZSA-N 1 3 306.494 2.789 20 0 DFADHO CCc1ccccc1[C@H](N)C[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000423515952 429106245 /nfs/dbraw/zinc/10/62/45/429106245.db2.gz XRJADEZHRVPQJV-CWFSZBLJSA-N 1 3 311.473 2.797 20 0 DFADHO CC1(C)[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)[C@H]2CCO[C@@H]21 ZINC000423522833 429108653 /nfs/dbraw/zinc/10/86/53/429108653.db2.gz HRUUDFQHFMJDQY-AYLMVFLFSA-N 1 3 304.478 2.543 20 0 DFADHO CC1(C)[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@H]2CCO[C@@H]21 ZINC000423522833 429108658 /nfs/dbraw/zinc/10/86/58/429108658.db2.gz HRUUDFQHFMJDQY-AYLMVFLFSA-N 1 3 304.478 2.543 20 0 DFADHO C[C@H]1CC2(CN1Cc1ccn(-c3ccccc3)n1)CC[NH2+]CC2 ZINC000424291405 429121784 /nfs/dbraw/zinc/12/17/84/429121784.db2.gz NUNMSSMHKPGMAH-INIZCTEOSA-N 1 3 310.445 2.836 20 0 DFADHO Cc1cccc(C)c1NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300571 429122768 /nfs/dbraw/zinc/12/27/68/429122768.db2.gz WUBJYEGXZGHULV-INIZCTEOSA-N 1 3 315.461 2.706 20 0 DFADHO CC(C)CCN(CCC(C)C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424333734 429128171 /nfs/dbraw/zinc/12/81/71/429128171.db2.gz MRCUYWYVQLRHRX-IAGOWNOFSA-N 1 3 311.514 2.767 20 0 DFADHO C[C@H]1CC2(CN1Cc1cnn(Cc3ccccc3)c1)CC[NH2+]CC2 ZINC000424371277 429132389 /nfs/dbraw/zinc/13/23/89/429132389.db2.gz DIRVPHRZYXCPDO-KRWDZBQOSA-N 1 3 324.472 2.895 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2C2CCCCC2)CN1C1CC1 ZINC000435749091 429162340 /nfs/dbraw/zinc/16/23/40/429162340.db2.gz RDDLEQULLCYBKM-JTDSTZFVSA-N 1 3 305.510 2.998 20 0 DFADHO C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)CN1C1CC1 ZINC000435749091 429162345 /nfs/dbraw/zinc/16/23/45/429162345.db2.gz RDDLEQULLCYBKM-JTDSTZFVSA-N 1 3 305.510 2.998 20 0 DFADHO C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+]2C2CCCCC2)CN1C1CC1 ZINC000435749091 429162348 /nfs/dbraw/zinc/16/23/48/429162348.db2.gz RDDLEQULLCYBKM-JTDSTZFVSA-N 1 3 305.510 2.998 20 0 DFADHO OCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000279612125 275046143 /nfs/dbraw/zinc/04/61/43/275046143.db2.gz QZGQBOJMUJVGIK-IPMKNSEASA-N 1 3 302.462 2.649 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@H]1C ZINC000495095918 429179469 /nfs/dbraw/zinc/17/94/69/429179469.db2.gz YQZSIGFKHHEZJS-VCBZYWHSSA-N 1 3 302.462 2.777 20 0 DFADHO CC(C)[C@@](C)(O)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000364352800 429188800 /nfs/dbraw/zinc/18/88/00/429188800.db2.gz LKLNPYSADPGZKV-SFHVURJKSA-N 1 3 305.466 2.637 20 0 DFADHO CC(C)[C@@](C)(O)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000364352800 429188802 /nfs/dbraw/zinc/18/88/02/429188802.db2.gz LKLNPYSADPGZKV-SFHVURJKSA-N 1 3 305.466 2.637 20 0 DFADHO CCN1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436278292 429194467 /nfs/dbraw/zinc/19/44/67/429194467.db2.gz CHVPPMOFKAKPJD-ZDUSSCGKSA-N 1 3 304.463 2.960 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495428747 429207715 /nfs/dbraw/zinc/20/77/15/429207715.db2.gz BCFGYWBWJYYQKE-UONOGXRCSA-N 1 3 313.486 2.752 20 0 DFADHO C[NH+](C)[C@@H]1CCC[C@H](NCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495428747 429207717 /nfs/dbraw/zinc/20/77/17/429207717.db2.gz BCFGYWBWJYYQKE-UONOGXRCSA-N 1 3 313.486 2.752 20 0 DFADHO CC[N@@H+]1CC[C@@H](NC2CC(O)(Cc3cccc(F)c3)C2)[C@@H](C)C1 ZINC000364482661 429212031 /nfs/dbraw/zinc/21/20/31/429212031.db2.gz JHLDAPCFUJEMBI-YUCBAPQESA-N 1 3 320.452 2.582 20 0 DFADHO CC[N@H+]1CC[C@@H](NC2CC(O)(Cc3cccc(F)c3)C2)[C@@H](C)C1 ZINC000364482661 429212035 /nfs/dbraw/zinc/21/20/35/429212035.db2.gz JHLDAPCFUJEMBI-YUCBAPQESA-N 1 3 320.452 2.582 20 0 DFADHO CN(C[C@@H](O)C1CCCCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000364489486 429212803 /nfs/dbraw/zinc/21/28/03/429212803.db2.gz FUKHAZSSIUAQSC-LJQANCHMSA-N 1 3 324.509 2.503 20 0 DFADHO CC[C@@H](C(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[NH+](CC)CC ZINC000488888669 429205446 /nfs/dbraw/zinc/20/54/46/429205446.db2.gz IXZCOBKWSQJFQM-SJORKVTESA-N 1 3 323.456 2.665 20 0 DFADHO CC(=O)N1CCC([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000359100226 275447868 /nfs/dbraw/zinc/44/78/68/275447868.db2.gz AJNLLFLNQZPNCD-KXBFYZLASA-N 1 3 321.509 2.630 20 0 DFADHO CN(CCC[NH+](C)C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495713283 429252726 /nfs/dbraw/zinc/25/27/26/429252726.db2.gz WUFPCALZVQSZHK-UHFFFAOYSA-N 1 3 313.486 2.517 20 0 DFADHO OC[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCCN1CCCCC1 ZINC000365267195 429290949 /nfs/dbraw/zinc/29/09/49/429290949.db2.gz NMWJYEPLEIIHJE-IEBWSBKVSA-N 1 3 302.462 2.748 20 0 DFADHO CC(C)C[C@H](N)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000361727756 275597512 /nfs/dbraw/zinc/59/75/12/275597512.db2.gz MBHWCKGCLTTZCL-KRWDZBQOSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@](O)(CNCc1cc(C2CC[NH2+]CC2)no1)C1CCCCC1 ZINC000425896710 429351264 /nfs/dbraw/zinc/35/12/64/429351264.db2.gz QEKCPBXROPQVJK-SFHVURJKSA-N 1 3 321.465 2.563 20 0 DFADHO c1c(CNCCCNc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425904277 429351875 /nfs/dbraw/zinc/35/18/75/429351875.db2.gz XYOKAKZVWDQTFS-UHFFFAOYSA-N 1 3 314.433 2.733 20 0 DFADHO Cc1cc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cs1 ZINC000449188311 429352105 /nfs/dbraw/zinc/35/21/05/429352105.db2.gz KMGQJKZZDUAXMN-IAGOWNOFSA-N 1 3 308.491 2.914 20 0 DFADHO CCN(CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)CCC(F)(F)F ZINC000426052899 429363076 /nfs/dbraw/zinc/36/30/76/429363076.db2.gz ULUVABFTQQFMBC-MELADBBJSA-N 1 3 309.420 2.579 20 0 DFADHO CCN(CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)CCC(F)(F)F ZINC000426052899 429363080 /nfs/dbraw/zinc/36/30/80/429363080.db2.gz ULUVABFTQQFMBC-MELADBBJSA-N 1 3 309.420 2.579 20 0 DFADHO C[C@H](Cc1ccoc1)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000449235067 429363693 /nfs/dbraw/zinc/36/36/93/429363693.db2.gz SOMCFDMGEVCUMN-BEFAXECRSA-N 1 3 314.429 2.567 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000449256015 429367340 /nfs/dbraw/zinc/36/73/40/429367340.db2.gz BMQRKJBKAJAYLN-AYOQOUSVSA-N 1 3 316.489 2.831 20 0 DFADHO C[C@H](C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)CN(C)C ZINC000491596466 429378515 /nfs/dbraw/zinc/37/85/15/429378515.db2.gz KOYZHKOIGDCENH-CQSZACIVSA-N 1 3 306.450 2.929 20 0 DFADHO Cc1cc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cs1 ZINC000449323896 429387394 /nfs/dbraw/zinc/38/73/94/429387394.db2.gz BMRZQLJSUYETQC-UHFFFAOYSA-N 1 3 307.507 2.516 20 0 DFADHO COc1cc2c(cc1CNCC[C@@H]1CCC[N@H+](C)C1)O[C@H](C)C2 ZINC000518924318 429440095 /nfs/dbraw/zinc/44/00/95/429440095.db2.gz CIYNBORRGXRONJ-CABCVRRESA-N 1 3 318.461 2.840 20 0 DFADHO COc1cc2c(cc1CNCC[C@@H]1CCC[N@@H+](C)C1)O[C@H](C)C2 ZINC000518924318 429440099 /nfs/dbraw/zinc/44/00/99/429440099.db2.gz CIYNBORRGXRONJ-CABCVRRESA-N 1 3 318.461 2.840 20 0 DFADHO COc1cc2c(cc1CNC(C)(C)CCC[NH+](C)C)OCO2 ZINC000449529201 429445978 /nfs/dbraw/zinc/44/59/78/429445978.db2.gz VNGXOTUFWVMDGN-UHFFFAOYSA-N 1 3 308.422 2.634 20 0 DFADHO C[C@@H](Cc1cnn(C)c1)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449584100 429455465 /nfs/dbraw/zinc/45/54/65/429455465.db2.gz JJPLZAJIMHPWTD-JTDSTZFVSA-N 1 3 318.509 2.984 20 0 DFADHO C[C@@H](Cc1cnn(C)c1)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449584100 429455469 /nfs/dbraw/zinc/45/54/69/429455469.db2.gz JJPLZAJIMHPWTD-JTDSTZFVSA-N 1 3 318.509 2.984 20 0 DFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](SC)C2)CC1 ZINC000449444849 429420653 /nfs/dbraw/zinc/42/06/53/429420653.db2.gz DWFAKDZIXQVSMI-QGZVFWFLSA-N 1 3 319.518 2.766 20 0 DFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](SC)C2)CC1 ZINC000449444849 429420659 /nfs/dbraw/zinc/42/06/59/429420659.db2.gz DWFAKDZIXQVSMI-QGZVFWFLSA-N 1 3 319.518 2.766 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@@H](C)[C@H]2CCCNC2)cc1OC ZINC000520761890 429527543 /nfs/dbraw/zinc/52/75/43/429527543.db2.gz ONOLFFXNRWEULB-GJZGRUSLSA-N 1 3 320.477 2.959 20 0 DFADHO COc1ccc(C(C)(C)CN[C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000520761890 429527549 /nfs/dbraw/zinc/52/75/49/429527549.db2.gz ONOLFFXNRWEULB-GJZGRUSLSA-N 1 3 320.477 2.959 20 0 DFADHO C[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)N1CCCCCC1 ZINC000519676257 429477987 /nfs/dbraw/zinc/47/79/87/429477987.db2.gz HVJFVOPAWCYNCR-HNNXBMFYSA-N 1 3 303.450 2.951 20 0 DFADHO O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000449735026 429491579 /nfs/dbraw/zinc/49/15/79/429491579.db2.gz FPXBIJQOPIUBCJ-PXTPFGJHSA-N 1 3 314.473 2.648 20 0 DFADHO CC(C)(C)CC(C)(C)N1CCC([NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC1 ZINC000449753347 429497241 /nfs/dbraw/zinc/49/72/41/429497241.db2.gz IQDDTSCIGYSTFW-GOEBONIOSA-N 1 3 323.525 2.909 20 0 DFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CC[C@H](C(N)=O)C2)CC1 ZINC000449753347 429497246 /nfs/dbraw/zinc/49/72/46/429497246.db2.gz IQDDTSCIGYSTFW-GOEBONIOSA-N 1 3 323.525 2.909 20 0 DFADHO Cc1nn(-c2ccncc2)cc1CNC(C)(C)C[NH+]1CCCC1 ZINC000449774585 429505712 /nfs/dbraw/zinc/50/57/12/429505712.db2.gz OXCHUNGFQRXHGT-UHFFFAOYSA-N 1 3 313.449 2.540 20 0 DFADHO Cc1nn(-c2ccncc2)cc1C[NH2+]C(C)(C)CN1CCCC1 ZINC000449774585 429505715 /nfs/dbraw/zinc/50/57/15/429505715.db2.gz OXCHUNGFQRXHGT-UHFFFAOYSA-N 1 3 313.449 2.540 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)c1 ZINC000366977102 429550488 /nfs/dbraw/zinc/55/04/88/429550488.db2.gz LJZXIVGZBNXVGD-WMZOPIPTSA-N 1 3 315.461 2.870 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)c1 ZINC000366977102 429550491 /nfs/dbraw/zinc/55/04/91/429550491.db2.gz LJZXIVGZBNXVGD-WMZOPIPTSA-N 1 3 315.461 2.870 20 0 DFADHO Cc1ccc(NC(=O)CCNCC[C@H](C)[NH+]2CCCCC2)nc1 ZINC000521614227 429559007 /nfs/dbraw/zinc/55/90/07/429559007.db2.gz CUIPJYMFUXXHFL-INIZCTEOSA-N 1 3 318.465 2.573 20 0 DFADHO Cc1ccc(NC(=O)CC[NH2+]CC[C@H](C)N2CCCCC2)nc1 ZINC000521614227 429559011 /nfs/dbraw/zinc/55/90/11/429559011.db2.gz CUIPJYMFUXXHFL-INIZCTEOSA-N 1 3 318.465 2.573 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCc2ccnn2C)CC1 ZINC000367119759 429581792 /nfs/dbraw/zinc/58/17/92/429581792.db2.gz CADSJZJWRDNKAR-KRWDZBQOSA-N 1 3 318.509 2.939 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCc2ccnn2C)CC1 ZINC000367119759 429581796 /nfs/dbraw/zinc/58/17/96/429581796.db2.gz CADSJZJWRDNKAR-KRWDZBQOSA-N 1 3 318.509 2.939 20 0 DFADHO C[C@H](NC1CC1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000521252594 429544947 /nfs/dbraw/zinc/54/49/47/429544947.db2.gz KSKOELNWBDMTDK-HOTGVXAUSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](NC1CC1)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000521252594 429544951 /nfs/dbraw/zinc/54/49/51/429544951.db2.gz KSKOELNWBDMTDK-HOTGVXAUSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)Cn1cc(CN2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000366953642 429547094 /nfs/dbraw/zinc/54/70/94/429547094.db2.gz OKIAAHKLPTZGOX-UHFFFAOYSA-N 1 3 304.482 2.847 20 0 DFADHO Cc1nccn1-c1ccc([C@H](C)[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000367328094 429623156 /nfs/dbraw/zinc/62/31/56/429623156.db2.gz WGTYSANAZHOCTC-JCGIZDLHSA-N 1 3 310.445 2.735 20 0 DFADHO Cc1nccn1-c1ccc([C@H](C)[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000367328094 429623162 /nfs/dbraw/zinc/62/31/62/429623162.db2.gz WGTYSANAZHOCTC-JCGIZDLHSA-N 1 3 310.445 2.735 20 0 DFADHO Cc1nccn1-c1ccc([C@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000367328094 429623163 /nfs/dbraw/zinc/62/31/63/429623163.db2.gz WGTYSANAZHOCTC-JCGIZDLHSA-N 1 3 310.445 2.735 20 0 DFADHO Cc1nccn1-c1ccc([C@H](C)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000367328094 429623166 /nfs/dbraw/zinc/62/31/66/429623166.db2.gz WGTYSANAZHOCTC-JCGIZDLHSA-N 1 3 310.445 2.735 20 0 DFADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450463781 429633267 /nfs/dbraw/zinc/63/32/67/429633267.db2.gz SAZDGQOLVGESAR-LNLFQRSKSA-N 1 3 304.478 2.815 20 0 DFADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450463781 429633270 /nfs/dbraw/zinc/63/32/70/429633270.db2.gz SAZDGQOLVGESAR-LNLFQRSKSA-N 1 3 304.478 2.815 20 0 DFADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000450463779 429633952 /nfs/dbraw/zinc/63/39/52/429633952.db2.gz SAZDGQOLVGESAR-AOIWGVFYSA-N 1 3 304.478 2.815 20 0 DFADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000450463779 429633954 /nfs/dbraw/zinc/63/39/54/429633954.db2.gz SAZDGQOLVGESAR-AOIWGVFYSA-N 1 3 304.478 2.815 20 0 DFADHO COC1(C[C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CCC1 ZINC000429402010 429607423 /nfs/dbraw/zinc/60/74/23/429607423.db2.gz HWGROQISZXWJJE-ULQDDVLXSA-N 1 3 312.498 2.813 20 0 DFADHO C[N@@H+]1CCC[C@H](CNCC[C@@H]2CCOC2=O)[C@H]1c1ccccc1 ZINC000367490285 429659270 /nfs/dbraw/zinc/65/92/70/429659270.db2.gz RVQJZVOMAKQXOG-KZNAEPCWSA-N 1 3 316.445 2.612 20 0 DFADHO C[N@H+]1CCC[C@H](CNCC[C@@H]2CCOC2=O)[C@H]1c1ccccc1 ZINC000367490285 429659277 /nfs/dbraw/zinc/65/92/77/429659277.db2.gz RVQJZVOMAKQXOG-KZNAEPCWSA-N 1 3 316.445 2.612 20 0 DFADHO CCOC1CC(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000367553181 429669351 /nfs/dbraw/zinc/66/93/51/429669351.db2.gz LSPAILLDPWVDTI-XYCLOBBJSA-N 1 3 324.509 2.623 20 0 DFADHO CCN(CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000268895307 276132407 /nfs/dbraw/zinc/13/24/07/276132407.db2.gz ZUVPCYTYIWSCPY-XLIONFOSSA-N 1 3 315.505 2.971 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000155622052 276197070 /nfs/dbraw/zinc/19/70/70/276197070.db2.gz BEFSAJUZVKOAHP-RDJZCZTQSA-N 1 3 319.493 2.909 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2cc(F)cc3c2OCOC3)[C@@H](C)C1 ZINC000247047366 276228999 /nfs/dbraw/zinc/22/89/99/276228999.db2.gz OOBVYWZZHLLPNP-GUYCJALGSA-N 1 3 322.424 2.555 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2cc(F)cc3c2OCOC3)[C@@H](C)C1 ZINC000247047366 276229000 /nfs/dbraw/zinc/22/90/00/276229000.db2.gz OOBVYWZZHLLPNP-GUYCJALGSA-N 1 3 322.424 2.555 20 0 DFADHO CSc1ccccc1NC(=O)CCN[C@](C)(C[NH3+])C(C)C ZINC000430544798 429690022 /nfs/dbraw/zinc/69/00/22/429690022.db2.gz GTUXRZCVDBYJFB-MRXNPFEDSA-N 1 3 309.479 2.700 20 0 DFADHO COc1ccc(COCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1 ZINC000367612607 429685654 /nfs/dbraw/zinc/68/56/54/429685654.db2.gz DMBSDRVIGPZMKT-QRVBRYPASA-N 1 3 318.461 2.674 20 0 DFADHO COc1ccc(COCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367612607 429685657 /nfs/dbraw/zinc/68/56/57/429685657.db2.gz DMBSDRVIGPZMKT-QRVBRYPASA-N 1 3 318.461 2.674 20 0 DFADHO COc1ccc(COCCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367612607 429685661 /nfs/dbraw/zinc/68/56/61/429685661.db2.gz DMBSDRVIGPZMKT-QRVBRYPASA-N 1 3 318.461 2.674 20 0 DFADHO CC[N@H+](C)C[C@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000271257394 276308195 /nfs/dbraw/zinc/30/81/95/276308195.db2.gz HNKQEPZMTJAWNK-MOPGFXCFSA-N 1 3 301.478 2.535 20 0 DFADHO CC[N@@H+](C)C[C@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000271257394 276308196 /nfs/dbraw/zinc/30/81/96/276308196.db2.gz HNKQEPZMTJAWNK-MOPGFXCFSA-N 1 3 301.478 2.535 20 0 DFADHO CN(CCCCC(F)(F)F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367684432 429699336 /nfs/dbraw/zinc/69/93/36/429699336.db2.gz NYBZZQAPWIMUFV-OAHLLOKOSA-N 1 3 321.431 2.819 20 0 DFADHO CN(CCCCC(F)(F)F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367684432 429699339 /nfs/dbraw/zinc/69/93/39/429699339.db2.gz NYBZZQAPWIMUFV-OAHLLOKOSA-N 1 3 321.431 2.819 20 0 DFADHO CN1CCC(N2CC[C@@H]([N@H+](C)CCCCC(F)(F)F)C2)CC1 ZINC000367684432 429699344 /nfs/dbraw/zinc/69/93/44/429699344.db2.gz NYBZZQAPWIMUFV-OAHLLOKOSA-N 1 3 321.431 2.819 20 0 DFADHO CN1CCC(N2CC[C@@H]([N@@H+](C)CCCCC(F)(F)F)C2)CC1 ZINC000367684432 429699347 /nfs/dbraw/zinc/69/93/47/429699347.db2.gz NYBZZQAPWIMUFV-OAHLLOKOSA-N 1 3 321.431 2.819 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000245920733 276361687 /nfs/dbraw/zinc/36/16/87/276361687.db2.gz TXJSLPRYNXDJIK-IAGOWNOFSA-N 1 3 309.498 2.632 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000245920733 276361688 /nfs/dbraw/zinc/36/16/88/276361688.db2.gz TXJSLPRYNXDJIK-IAGOWNOFSA-N 1 3 309.498 2.632 20 0 DFADHO CCC[C@@H](NC(=O)[C@H](C)N1CCC(C[NH3+])CC1)c1ccccc1 ZINC000430611986 429701279 /nfs/dbraw/zinc/70/12/79/429701279.db2.gz QJAFBYQOINWBPP-MAUKXSAKSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@H](N)c1ccccc1 ZINC000430894316 429721753 /nfs/dbraw/zinc/72/17/53/429721753.db2.gz MKVWXEHDEHSVGE-DFGXFYAUSA-N 1 3 317.477 2.702 20 0 DFADHO C[C@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@H](N)c1ccccc1 ZINC000430894316 429721756 /nfs/dbraw/zinc/72/17/56/429721756.db2.gz MKVWXEHDEHSVGE-DFGXFYAUSA-N 1 3 317.477 2.702 20 0 DFADHO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000430917426 429723090 /nfs/dbraw/zinc/72/30/90/429723090.db2.gz DDZUBNSSLLRQEM-HRCADAONSA-N 1 3 317.477 2.620 20 0 DFADHO C[C@@H]1CN(CCC(=O)Nc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000430964946 429731398 /nfs/dbraw/zinc/73/13/98/429731398.db2.gz JUTKUYVGHXVAJG-PBHICJAKSA-N 1 3 311.429 2.838 20 0 DFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430965841 429732400 /nfs/dbraw/zinc/73/24/00/429732400.db2.gz MTPOMUAJMVDDQY-UHFFFAOYSA-N 1 3 304.482 2.830 20 0 DFADHO CN(C[C@H]1Cc2ccccc21)C1CC[NH+](C2CCOCC2)CC1 ZINC000367869723 429732781 /nfs/dbraw/zinc/73/27/81/429732781.db2.gz YBJFUDUFPZLIEL-QGZVFWFLSA-N 1 3 314.473 2.902 20 0 DFADHO COCCOc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000368135806 429796302 /nfs/dbraw/zinc/79/63/02/429796302.db2.gz RPTFQEDEMWZKTH-MJGOQNOKSA-N 1 3 318.461 2.628 20 0 DFADHO COCCOc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000368135806 429796305 /nfs/dbraw/zinc/79/63/05/429796305.db2.gz RPTFQEDEMWZKTH-MJGOQNOKSA-N 1 3 318.461 2.628 20 0 DFADHO Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000367958557 429752785 /nfs/dbraw/zinc/75/27/85/429752785.db2.gz DPNPLVBLPOKZSY-PKOBYXMFSA-N 1 3 310.445 2.672 20 0 DFADHO Cc1n[nH]cc1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000367958557 429752789 /nfs/dbraw/zinc/75/27/89/429752789.db2.gz DPNPLVBLPOKZSY-PKOBYXMFSA-N 1 3 310.445 2.672 20 0 DFADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(CCN(C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057265 429758221 /nfs/dbraw/zinc/75/82/21/429758221.db2.gz CQVBNHWJIBYGDM-HBFSDRIKSA-N 1 3 315.505 2.781 20 0 DFADHO C[C@H]1C[C@@H]1[N@H+]1CCN(CCN(C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057265 429758225 /nfs/dbraw/zinc/75/82/25/429758225.db2.gz CQVBNHWJIBYGDM-HBFSDRIKSA-N 1 3 315.505 2.781 20 0 DFADHO CN(C)C[C@@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000431596908 429772148 /nfs/dbraw/zinc/77/21/48/429772148.db2.gz QVRZLEKTUUSEFZ-QZTJIDSGSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)C[C@@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000431596908 429772152 /nfs/dbraw/zinc/77/21/52/429772152.db2.gz QVRZLEKTUUSEFZ-QZTJIDSGSA-N 1 3 317.477 2.670 20 0 DFADHO C[NH+](C)CCOCCNCc1cnc(-c2ccccc2F)s1 ZINC000451156232 429778122 /nfs/dbraw/zinc/77/81/22/429778122.db2.gz QYTSPQBDDKLLOP-UHFFFAOYSA-N 1 3 323.437 2.617 20 0 DFADHO C[C@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)[C@@H]1C[C@H]1C1CC1 ZINC000527687893 429779555 /nfs/dbraw/zinc/77/95/55/429779555.db2.gz NVVDHWKHKMFUAO-JQFCIGGWSA-N 1 3 303.450 2.546 20 0 DFADHO C[C@@H]1CCCCN1CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431745475 429780655 /nfs/dbraw/zinc/78/06/55/429780655.db2.gz QSQZPGYXOAJYJS-AEFFLSMTSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)c1ccncc1CNC[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000368281338 429824148 /nfs/dbraw/zinc/82/41/48/429824148.db2.gz BJARFKWBDHQZMR-PXNSSMCTSA-N 1 3 324.472 2.930 20 0 DFADHO CN(C)c1ccncc1CNC[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000368281338 429824153 /nfs/dbraw/zinc/82/41/53/429824153.db2.gz BJARFKWBDHQZMR-PXNSSMCTSA-N 1 3 324.472 2.930 20 0 DFADHO CN1CCCN(CCC[NH2+]C2CC(c3cccc(F)c3)C2)CC1 ZINC000368354194 429836838 /nfs/dbraw/zinc/83/68/38/429836838.db2.gz NNYLAVOZMYYTLW-UHFFFAOYSA-N 1 3 319.468 2.689 20 0 DFADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CC4COC4)[C@H]3C2)cc1 ZINC000528024949 429838568 /nfs/dbraw/zinc/83/85/68/429838568.db2.gz FHZXYLLGRRPMSX-SLFFLAALSA-N 1 3 314.473 2.913 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)Cc1ccccc1 ZINC000368375098 429839417 /nfs/dbraw/zinc/83/94/17/429839417.db2.gz RMAIKEZGNLYQHB-HKUYNNGSSA-N 1 3 315.505 2.623 20 0 DFADHO CN(CCN1CC[NH+](CC2(C)CCC2)CC1)Cc1ccccc1 ZINC000432833979 429845102 /nfs/dbraw/zinc/84/51/02/429845102.db2.gz ZRFDHOHMZQUOJN-UHFFFAOYSA-N 1 3 315.505 2.926 20 0 DFADHO CCN(C(=O)[C@H](C)[C@H](C)[NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000493953588 429851377 /nfs/dbraw/zinc/85/13/77/429851377.db2.gz VJXBRWRMHQFYFE-CVYDXHPNSA-N 1 3 317.477 2.654 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000368534679 429863208 /nfs/dbraw/zinc/86/32/08/429863208.db2.gz OTKJQCOWOBBWTE-ZBFHGGJFSA-N 1 3 308.466 2.715 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000368534679 429863211 /nfs/dbraw/zinc/86/32/11/429863211.db2.gz OTKJQCOWOBBWTE-ZBFHGGJFSA-N 1 3 308.466 2.715 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CC12CC2 ZINC000527848524 429810204 /nfs/dbraw/zinc/81/02/04/429810204.db2.gz KKOIUZJRQAVUEG-QFBILLFUSA-N 1 3 313.489 2.712 20 0 DFADHO C[NH+](C)CCCC1CCN(Cc2cc(CO)ccc2F)CC1 ZINC000528427909 429887500 /nfs/dbraw/zinc/88/75/00/429887500.db2.gz ANFWHUJYERCIEQ-UHFFFAOYSA-N 1 3 308.441 2.872 20 0 DFADHO CCc1nn(C)c(CC)c1CN1CCCC12CC[NH+](C)CC2 ZINC000368967145 429905263 /nfs/dbraw/zinc/90/52/63/429905263.db2.gz VJTXKXQONQKUTK-UHFFFAOYSA-N 1 3 304.482 2.605 20 0 DFADHO CCc1nn(C)c(CC)c1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000368967145 429905265 /nfs/dbraw/zinc/90/52/65/429905265.db2.gz VJTXKXQONQKUTK-UHFFFAOYSA-N 1 3 304.482 2.605 20 0 DFADHO CCc1nn(C)c(CC)c1C[N@H+]1CCCC12CCN(C)CC2 ZINC000368967145 429905266 /nfs/dbraw/zinc/90/52/66/429905266.db2.gz VJTXKXQONQKUTK-UHFFFAOYSA-N 1 3 304.482 2.605 20 0 DFADHO COCC1([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000573124517 429928112 /nfs/dbraw/zinc/92/81/12/429928112.db2.gz RHVPDQWGYFNDHN-RCCFBDPRSA-N 1 3 300.446 2.666 20 0 DFADHO COCC1(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000573124517 429928116 /nfs/dbraw/zinc/92/81/16/429928116.db2.gz RHVPDQWGYFNDHN-RCCFBDPRSA-N 1 3 300.446 2.666 20 0 DFADHO COCC1(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000573124517 429928121 /nfs/dbraw/zinc/92/81/21/429928121.db2.gz RHVPDQWGYFNDHN-RCCFBDPRSA-N 1 3 300.446 2.666 20 0 DFADHO CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639761598 429972083 /nfs/dbraw/zinc/97/20/83/429972083.db2.gz GQJHAXUIIPATFJ-IRXDYDNUSA-N 1 3 321.509 2.584 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639791225 429982853 /nfs/dbraw/zinc/98/28/53/429982853.db2.gz JHNZZGIGHOTIHW-SJORKVTESA-N 1 3 310.445 2.903 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639791225 429982856 /nfs/dbraw/zinc/98/28/56/429982856.db2.gz JHNZZGIGHOTIHW-SJORKVTESA-N 1 3 310.445 2.903 20 0 DFADHO CO[C@H](C[N@@H+]1CCCN(c2ccncc2)CC1)c1ccccc1 ZINC000639684482 429945747 /nfs/dbraw/zinc/94/57/47/429945747.db2.gz VNMWQLZLBHCIQT-LJQANCHMSA-N 1 3 311.429 2.981 20 0 DFADHO CO[C@H](C[N@H+]1CCCN(c2ccncc2)CC1)c1ccccc1 ZINC000639684482 429945751 /nfs/dbraw/zinc/94/57/51/429945751.db2.gz VNMWQLZLBHCIQT-LJQANCHMSA-N 1 3 311.429 2.981 20 0 DFADHO Cc1nsc(C)c1CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683521 429945933 /nfs/dbraw/zinc/94/59/33/429945933.db2.gz JAEKZOYVPDPJOB-UHFFFAOYSA-N 1 3 302.447 2.867 20 0 DFADHO CN(C)c1ccccc1C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683426 429946585 /nfs/dbraw/zinc/94/65/85/429946585.db2.gz YUCHHXUFEZXKPL-UHFFFAOYSA-N 1 3 310.445 2.860 20 0 DFADHO CN(C)c1ccccc1C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683426 429946588 /nfs/dbraw/zinc/94/65/88/429946588.db2.gz YUCHHXUFEZXKPL-UHFFFAOYSA-N 1 3 310.445 2.860 20 0 DFADHO CN(C)CCOc1ccccc1C[NH2+][C@H]1CCC12CCOCC2 ZINC000374294139 276763579 /nfs/dbraw/zinc/76/35/79/276763579.db2.gz JMFCUAAFWFWSGZ-SFHVURJKSA-N 1 3 318.461 2.676 20 0 DFADHO CSC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000574444304 430042423 /nfs/dbraw/zinc/04/24/23/430042423.db2.gz XDWJKTMMIKGKOW-QAPCUYQASA-N 1 3 322.518 2.875 20 0 DFADHO CSC[C@@H](O)CNCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000574444304 430042427 /nfs/dbraw/zinc/04/24/27/430042427.db2.gz XDWJKTMMIKGKOW-QAPCUYQASA-N 1 3 322.518 2.875 20 0 DFADHO Cc1nccn1CCCCN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982634 430044489 /nfs/dbraw/zinc/04/44/89/430044489.db2.gz RVHGRZAWDCBSPC-UHFFFAOYSA-N 1 3 304.482 2.922 20 0 DFADHO C[C@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000573912450 429993099 /nfs/dbraw/zinc/99/30/99/429993099.db2.gz ROADHLSFWQJURV-DZKIICNBSA-N 1 3 307.869 2.896 20 0 DFADHO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CCCNC1 ZINC000573912450 429993102 /nfs/dbraw/zinc/99/31/02/429993102.db2.gz ROADHLSFWQJURV-DZKIICNBSA-N 1 3 307.869 2.896 20 0 DFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CC(F)(F)C1 ZINC000529540058 430023054 /nfs/dbraw/zinc/02/30/54/430023054.db2.gz DSXVASAKTWVHIO-CXAGYDPISA-N 1 3 324.415 2.777 20 0 DFADHO COc1cccc2c1CC[C@H]([NH2+][C@H]1CCNCC(C)(C)C1)C2 ZINC000634733958 430093556 /nfs/dbraw/zinc/09/35/56/430093556.db2.gz SQHVGPPTBGDYHU-HOTGVXAUSA-N 1 3 302.462 2.920 20 0 DFADHO Cc1nn(C)c2sc([C@H](C)NC[C@@H]3CCC[N@H+](C)C3)cc12 ZINC000562042116 430106905 /nfs/dbraw/zinc/10/69/05/430106905.db2.gz UKRYOXXERPAUAH-STQMWFEESA-N 1 3 306.479 2.936 20 0 DFADHO Cc1nn(C)c2sc([C@H](C)NC[C@@H]3CCC[N@@H+](C)C3)cc12 ZINC000562042116 430106909 /nfs/dbraw/zinc/10/69/09/430106909.db2.gz UKRYOXXERPAUAH-STQMWFEESA-N 1 3 306.479 2.936 20 0 DFADHO C[C@H]1C[C@@H](CN2CCc3nc(C(C)(C)C)ncc3C2)CC[NH2+]1 ZINC000530241211 430107420 /nfs/dbraw/zinc/10/74/20/430107420.db2.gz DNELDEQWIWTQEN-KBPBESRZSA-N 1 3 302.466 2.520 20 0 DFADHO C[NH+](C)Cc1ccccc1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000562096826 430109207 /nfs/dbraw/zinc/10/92/07/430109207.db2.gz WKRUUKNLUMSEBD-QGZVFWFLSA-N 1 3 301.434 2.561 20 0 DFADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCc3cncn3C)CC2)C1 ZINC000530355012 430112411 /nfs/dbraw/zinc/11/24/11/430112411.db2.gz SZDWLYBPDDKPOW-RDJZCZTQSA-N 1 3 304.482 2.595 20 0 DFADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCc3cncn3C)CC2)C1 ZINC000530355012 430112414 /nfs/dbraw/zinc/11/24/14/430112414.db2.gz SZDWLYBPDDKPOW-RDJZCZTQSA-N 1 3 304.482 2.595 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCc3cncn3C)CC2)C1 ZINC000530355013 430112911 /nfs/dbraw/zinc/11/29/11/430112911.db2.gz SZDWLYBPDDKPOW-WBVHZDCISA-N 1 3 304.482 2.595 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCc3cncn3C)CC2)C1 ZINC000530355013 430112914 /nfs/dbraw/zinc/11/29/14/430112914.db2.gz SZDWLYBPDDKPOW-WBVHZDCISA-N 1 3 304.482 2.595 20 0 DFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000560598035 430057072 /nfs/dbraw/zinc/05/70/72/430057072.db2.gz QCTNXSTYURCRFY-FUHWJXTLSA-N 1 3 317.477 2.670 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccsc1 ZINC000561146921 430078247 /nfs/dbraw/zinc/07/82/47/430078247.db2.gz XLRLUTJBSYELJK-ZBFHGGJFSA-N 1 3 323.506 2.589 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccsc1 ZINC000561146921 430078250 /nfs/dbraw/zinc/07/82/50/430078250.db2.gz XLRLUTJBSYELJK-ZBFHGGJFSA-N 1 3 323.506 2.589 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccsc1 ZINC000561146921 430078254 /nfs/dbraw/zinc/07/82/54/430078254.db2.gz XLRLUTJBSYELJK-ZBFHGGJFSA-N 1 3 323.506 2.589 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccsc1 ZINC000561146921 430078257 /nfs/dbraw/zinc/07/82/57/430078257.db2.gz XLRLUTJBSYELJK-ZBFHGGJFSA-N 1 3 323.506 2.589 20 0 DFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1cn2cc(Cl)ccc2n1 ZINC000562747971 430176935 /nfs/dbraw/zinc/17/69/35/430176935.db2.gz CQURVRCLGXVXFJ-MTICYGMRSA-N 1 3 304.825 2.593 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000269066723 277001167 /nfs/dbraw/zinc/00/11/67/277001167.db2.gz ZACWZHRSNNRAJZ-MRXNPFEDSA-N 1 3 317.477 2.677 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289166114 277032431 /nfs/dbraw/zinc/03/24/31/277032431.db2.gz HJFILDHZKXIMDG-KRWDZBQOSA-N 1 3 313.445 2.592 20 0 DFADHO C[C@@H]([NH3+])C1CCN(Cc2cccc(-c3ccc(N)cc3)n2)CC1 ZINC000634990987 430185771 /nfs/dbraw/zinc/18/57/71/430185771.db2.gz KTENJCQXIGJFPA-CQSZACIVSA-N 1 3 310.445 2.890 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)C1 ZINC000634997054 430187455 /nfs/dbraw/zinc/18/74/55/430187455.db2.gz BTWSYKHMRNEHKX-UZZFALLVSA-N 1 3 321.262 2.947 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)C1 ZINC000634997054 430187459 /nfs/dbraw/zinc/18/74/59/430187459.db2.gz BTWSYKHMRNEHKX-UZZFALLVSA-N 1 3 321.262 2.947 20 0 DFADHO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](n3cc(CN)nn3)C2)s1 ZINC000635000315 430188760 /nfs/dbraw/zinc/18/87/60/430188760.db2.gz LTLKXZVYHKGRLI-CYBMUJFWSA-N 1 3 319.478 2.543 20 0 DFADHO CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](n3cc(CN)nn3)C2)s1 ZINC000635000315 430188765 /nfs/dbraw/zinc/18/87/65/430188765.db2.gz LTLKXZVYHKGRLI-CYBMUJFWSA-N 1 3 319.478 2.543 20 0 DFADHO C[C@H]1CN(Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000634998843 430189908 /nfs/dbraw/zinc/18/99/08/430189908.db2.gz LSGJKIYXWXVAHC-DZGCQCFKSA-N 1 3 324.428 2.860 20 0 DFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc(F)c1 ZINC000635007077 430193258 /nfs/dbraw/zinc/19/32/58/430193258.db2.gz DRUPWQMZZIZADT-CYBMUJFWSA-N 1 3 300.381 2.803 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000367601820 277172100 /nfs/dbraw/zinc/17/21/00/277172100.db2.gz PRPQCXNFNJCABU-NXOAAHMSSA-N 1 3 308.853 2.836 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H](O)c2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000367601820 277172101 /nfs/dbraw/zinc/17/21/01/277172101.db2.gz PRPQCXNFNJCABU-NXOAAHMSSA-N 1 3 308.853 2.836 20 0 DFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cc(F)ccc1F ZINC000635008801 430195502 /nfs/dbraw/zinc/19/55/02/430195502.db2.gz KQYOXBPUBYXBNW-GFCCVEGCSA-N 1 3 318.371 2.943 20 0 DFADHO CC(C)[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccnc1 ZINC000635010782 430195530 /nfs/dbraw/zinc/19/55/30/430195530.db2.gz VMSVTQJWTWVQQL-GOSISDBHSA-N 1 3 311.433 2.695 20 0 DFADHO C[C@H]1Cc2ccccc2[C@@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010270 430195772 /nfs/dbraw/zinc/19/57/72/430195772.db2.gz RLHNRCBGDIXFQC-IFXJQAMLSA-N 1 3 308.429 2.837 20 0 DFADHO C[C@H](Cc1ccsc1)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635011290 430196353 /nfs/dbraw/zinc/19/63/53/430196353.db2.gz YUMVPGOOCKWZSM-CYBMUJFWSA-N 1 3 302.447 2.596 20 0 DFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc2c(c1)CCO2 ZINC000635011293 430196431 /nfs/dbraw/zinc/19/64/31/430196431.db2.gz YVXVXPMNCNBKSF-CQSZACIVSA-N 1 3 324.428 2.599 20 0 DFADHO Cc1ccc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(C)n1 ZINC000635008784 430196796 /nfs/dbraw/zinc/19/67/96/430196796.db2.gz KLELOIKIDKCEMK-HNNXBMFYSA-N 1 3 311.433 2.676 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000296727933 277333103 /nfs/dbraw/zinc/33/31/03/277333103.db2.gz IGEQMCRGTOPPCK-QRVBRYPASA-N 1 3 302.462 2.660 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000296727933 277333105 /nfs/dbraw/zinc/33/31/05/277333105.db2.gz IGEQMCRGTOPPCK-QRVBRYPASA-N 1 3 302.462 2.660 20 0 DFADHO CO[C@H](Cc1ccccc1)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000296727933 277333106 /nfs/dbraw/zinc/33/31/06/277333106.db2.gz IGEQMCRGTOPPCK-QRVBRYPASA-N 1 3 302.462 2.660 20 0 DFADHO CO[C@H](Cc1ccccc1)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000296727933 277333108 /nfs/dbraw/zinc/33/31/08/277333108.db2.gz IGEQMCRGTOPPCK-QRVBRYPASA-N 1 3 302.462 2.660 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](N)CCC(C)C)CC1 ZINC000638066398 430224733 /nfs/dbraw/zinc/22/47/33/430224733.db2.gz ICGGBDHWBVKRED-KRWDZBQOSA-N 1 3 311.514 2.720 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](N)CCC(C)C)CC1 ZINC000638066398 430224735 /nfs/dbraw/zinc/22/47/35/430224735.db2.gz ICGGBDHWBVKRED-KRWDZBQOSA-N 1 3 311.514 2.720 20 0 DFADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248818323 277397359 /nfs/dbraw/zinc/39/73/59/277397359.db2.gz VKJGFHHWQLKSBM-ZJPYXAASSA-N 1 3 306.494 2.902 20 0 DFADHO CC(C)CC[C@H](N)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000638126478 430243794 /nfs/dbraw/zinc/24/37/94/430243794.db2.gz VYLCBVBRHGKGTB-KRWDZBQOSA-N 1 3 309.498 2.663 20 0 DFADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2c2ccccc2)c2ccccc21 ZINC000581878498 430246167 /nfs/dbraw/zinc/24/61/67/430246167.db2.gz JPSZDTAGGKVTNS-DMUMMCEESA-N 1 3 321.424 2.741 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](N[C@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000581894977 430249037 /nfs/dbraw/zinc/24/90/37/430249037.db2.gz NYERHODYCPDGSV-RKVPGOIHSA-N 1 3 302.418 2.768 20 0 DFADHO [NH3+]C1CCC(Nc2cccc(CN3CCC(CO)CC3)c2)CC1 ZINC000581938010 430252861 /nfs/dbraw/zinc/25/28/61/430252861.db2.gz VEWGZIYJZFIRCB-UHFFFAOYSA-N 1 3 317.477 2.573 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC000635188001 430225742 /nfs/dbraw/zinc/22/57/42/430225742.db2.gz GCVXDFGWJAWUSE-QGZVFWFLSA-N 1 3 317.477 2.528 20 0 DFADHO CC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000638076742 430227611 /nfs/dbraw/zinc/22/76/11/430227611.db2.gz MYQYVUZGZSKKND-FUHWJXTLSA-N 1 3 317.477 2.574 20 0 DFADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccncc1OCCN(C)C ZINC000581630790 430227638 /nfs/dbraw/zinc/22/76/38/430227638.db2.gz CXNNXYLDUNUGOZ-IRXDYDNUSA-N 1 3 305.466 2.936 20 0 DFADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccn(C)n1 ZINC000544570510 430286894 /nfs/dbraw/zinc/28/68/94/430286894.db2.gz XNZQZPQDSCUOLA-KRWDZBQOSA-N 1 3 313.449 2.772 20 0 DFADHO c1ccc(N2CC[C@H](C[NH2+]CCCN3CCCCC3)C2)cc1 ZINC000638306608 430298904 /nfs/dbraw/zinc/29/89/04/430298904.db2.gz FFSNCBRCLSXYQE-GOSISDBHSA-N 1 3 301.478 2.979 20 0 DFADHO CC[NH+](CC)Cc1ccc(CNC[C@H](OC)[C@@H]2CCOC2)cc1 ZINC000638306277 430298990 /nfs/dbraw/zinc/29/89/90/430298990.db2.gz BLTTZLXRMLWKPO-MOPGFXCFSA-N 1 3 320.477 2.670 20 0 DFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000582481325 430302839 /nfs/dbraw/zinc/30/28/39/430302839.db2.gz ROOGETIIULKGEM-MAUKXSAKSA-N 1 3 317.477 2.655 20 0 DFADHO CC(C)CN(C(=O)CN(C)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000635558758 430306853 /nfs/dbraw/zinc/30/68/53/430306853.db2.gz NLZQRTJQTIANCE-UHFFFAOYSA-N 1 3 311.514 2.543 20 0 DFADHO COc1cc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)sn1 ZINC000638372524 430320982 /nfs/dbraw/zinc/32/09/82/430320982.db2.gz XFOSXDAQDDFMEY-KBPBESRZSA-N 1 3 311.495 2.999 20 0 DFADHO CO[C@@](C)(C[NH2+]Cc1cccc(OCCN(C)C)c1)C1CC1 ZINC000638381086 430323987 /nfs/dbraw/zinc/32/39/87/430323987.db2.gz GNPSUYBDTMERPC-SFHVURJKSA-N 1 3 306.450 2.532 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCc2nc(-c3ccncc3)cs2)C1 ZINC000582735974 430329902 /nfs/dbraw/zinc/32/99/02/430329902.db2.gz QTUMVAHBQMJIRU-KBPBESRZSA-N 1 3 302.447 2.607 20 0 DFADHO COCCOCCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638417391 430335500 /nfs/dbraw/zinc/33/55/00/430335500.db2.gz FTMOBQCYSQBZFU-PKOBYXMFSA-N 1 3 318.461 2.607 20 0 DFADHO COCCOCCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638417391 430335505 /nfs/dbraw/zinc/33/55/05/430335505.db2.gz FTMOBQCYSQBZFU-PKOBYXMFSA-N 1 3 318.461 2.607 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](C)C(C)C)CC2)CC1 ZINC000582794632 430336519 /nfs/dbraw/zinc/33/65/19/430336519.db2.gz FXOGFOWAKJGACF-MRXNPFEDSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2cccn2)c(F)c1 ZINC000568248108 430338487 /nfs/dbraw/zinc/33/84/87/430338487.db2.gz HQYTTWMWEUWPNH-YUELXQCFSA-N 1 3 302.397 2.932 20 0 DFADHO C[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)Sc1ccccc1 ZINC000638704362 430414410 /nfs/dbraw/zinc/41/44/10/430414410.db2.gz HAPKHKOURLSWAA-OAHLLOKOSA-N 1 3 322.518 2.992 20 0 DFADHO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000638722469 430416333 /nfs/dbraw/zinc/41/63/33/430416333.db2.gz YEQRHYPKHWTCHS-NVXWUHKLSA-N 1 3 321.509 2.820 20 0 DFADHO C[C@H](C[C@H]1CCCC(=O)N1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000638722469 430416337 /nfs/dbraw/zinc/41/63/37/430416337.db2.gz YEQRHYPKHWTCHS-NVXWUHKLSA-N 1 3 321.509 2.820 20 0 DFADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000638722471 430417042 /nfs/dbraw/zinc/41/70/42/430417042.db2.gz YEQRHYPKHWTCHS-WBVHZDCISA-N 1 3 321.509 2.820 20 0 DFADHO C[C@H](C[C@@H]1CCCC(=O)N1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000638722471 430417047 /nfs/dbraw/zinc/41/70/47/430417047.db2.gz YEQRHYPKHWTCHS-WBVHZDCISA-N 1 3 321.509 2.820 20 0 DFADHO CC(C)C[C@@H]1CCC[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000568501082 430362915 /nfs/dbraw/zinc/36/29/15/430362915.db2.gz CSYXRJPWZHESKX-HOCLYGCPSA-N 1 3 319.497 2.966 20 0 DFADHO OCc1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000638521831 430366152 /nfs/dbraw/zinc/36/61/52/430366152.db2.gz QEZXNPXHTSLRCA-OAQYLSRUSA-N 1 3 324.468 2.833 20 0 DFADHO Cn1cc(CCCNC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cn1 ZINC000638522589 430366459 /nfs/dbraw/zinc/36/64/59/430366459.db2.gz TZMKLYPGSGWTKU-IBGZPJMESA-N 1 3 318.509 2.987 20 0 DFADHO Cn1cc(CCCNC[C@@H]2CCC[N@H+]2CC2CCCCC2)cn1 ZINC000638522589 430366464 /nfs/dbraw/zinc/36/64/64/430366464.db2.gz TZMKLYPGSGWTKU-IBGZPJMESA-N 1 3 318.509 2.987 20 0 DFADHO C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635752701 430366800 /nfs/dbraw/zinc/36/68/00/430366800.db2.gz MDPKHDIDEYSZRX-GOSISDBHSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]([NH3+])CCC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000193302876 277597155 /nfs/dbraw/zinc/59/71/55/277597155.db2.gz LKEUCXBUTCSDFD-SJLPKXTDSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@H]1CC1(F)F ZINC000638721436 430417491 /nfs/dbraw/zinc/41/74/91/430417491.db2.gz ZKUHACIGMNJGTK-CXAGYDPISA-N 1 3 324.415 2.777 20 0 DFADHO NCc1cccc2c1N(C(=O)CC[C@H]([NH3+])c1ccccc1)CCC2 ZINC000638551786 430374997 /nfs/dbraw/zinc/37/49/97/430374997.db2.gz XOAYFUMIMBISTN-SFHVURJKSA-N 1 3 323.440 2.905 20 0 DFADHO COc1cc(C[C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)ccn1 ZINC000638566313 430377707 /nfs/dbraw/zinc/37/77/07/430377707.db2.gz HCNIYSGIOYGDLP-DOTOQJQBSA-N 1 3 305.466 2.731 20 0 DFADHO COc1cc(C[C@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)ccn1 ZINC000638566313 430377712 /nfs/dbraw/zinc/37/77/12/430377712.db2.gz HCNIYSGIOYGDLP-DOTOQJQBSA-N 1 3 305.466 2.731 20 0 DFADHO COc1cc(C[C@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)ccn1 ZINC000638566313 430377717 /nfs/dbraw/zinc/37/77/17/430377717.db2.gz HCNIYSGIOYGDLP-DOTOQJQBSA-N 1 3 305.466 2.731 20 0 DFADHO C[NH+]1CCC(CCNCc2ccccc2OCCCCO)CC1 ZINC000638566895 430378820 /nfs/dbraw/zinc/37/88/20/430378820.db2.gz QUOXASHWJKTLPG-UHFFFAOYSA-N 1 3 320.477 2.659 20 0 DFADHO C[C@H](Cc1ccsc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000583899357 430439085 /nfs/dbraw/zinc/43/90/85/430439085.db2.gz MGLCCYFEBITGFR-OAHLLOKOSA-N 1 3 309.523 2.637 20 0 DFADHO C[C@H](Cc1ccsc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000583899357 430439088 /nfs/dbraw/zinc/43/90/88/430439088.db2.gz MGLCCYFEBITGFR-OAHLLOKOSA-N 1 3 309.523 2.637 20 0 DFADHO C[C@H](N[C@@H]1CCCN(c2cccc(F)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000583928699 430442806 /nfs/dbraw/zinc/44/28/06/430442806.db2.gz ZYHVCIMKPYRDKY-YQQAZPJKSA-N 1 3 305.441 2.772 20 0 DFADHO Nc1cnccc1C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000641714044 430450157 /nfs/dbraw/zinc/45/01/57/430450157.db2.gz WMBIISVGCYNLLT-UHFFFAOYSA-N 1 3 316.474 2.727 20 0 DFADHO CC[NH+](CC)CC[C@H](CO)N[C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000641769416 430467271 /nfs/dbraw/zinc/46/72/71/430467271.db2.gz BEAPPALERDMSPG-QXAKKESOSA-N 1 3 319.493 2.790 20 0 DFADHO C[C@@H](CN1CCCCC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548389083 430468640 /nfs/dbraw/zinc/46/86/40/430468640.db2.gz DZMMBCGLXHHEAR-INIZCTEOSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H](CN1CCCCC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548389083 430468644 /nfs/dbraw/zinc/46/86/44/430468644.db2.gz DZMMBCGLXHHEAR-INIZCTEOSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H](C(=O)N(C)C(C)(C)C[NH+]1CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000584339894 430474229 /nfs/dbraw/zinc/47/42/29/430474229.db2.gz HUQIPISRLOAWMF-XHSDSOJGSA-N 1 3 309.498 2.581 20 0 DFADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000641802596 430475808 /nfs/dbraw/zinc/47/58/08/430475808.db2.gz NIBPLJBVNIVZNE-CHWSQXEVSA-N 1 3 313.239 2.543 20 0 DFADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOc1ccccc1Br ZINC000641802491 430475864 /nfs/dbraw/zinc/47/58/64/430475864.db2.gz LUFSADYWECOHGI-STQMWFEESA-N 1 3 313.239 2.543 20 0 DFADHO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cccc(CN(C)C)c1 ZINC000548454425 430477376 /nfs/dbraw/zinc/47/73/76/430477376.db2.gz OSONWPKFQILYKT-GOSISDBHSA-N 1 3 317.477 2.695 20 0 DFADHO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cccc(CN(C)C)c1 ZINC000548454425 430477380 /nfs/dbraw/zinc/47/73/80/430477380.db2.gz OSONWPKFQILYKT-GOSISDBHSA-N 1 3 317.477 2.695 20 0 DFADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000641808936 430479774 /nfs/dbraw/zinc/47/97/74/430479774.db2.gz VCLPGSPQPBLOFO-SJORKVTESA-N 1 3 311.429 2.884 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCCCNC1 ZINC000583740555 430423761 /nfs/dbraw/zinc/42/37/61/430423761.db2.gz YGEHTAPCOQMLPA-WFASDCNBSA-N 1 3 309.841 2.789 20 0 DFADHO CC(C)[C@@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)N1CCCCC1 ZINC000361396962 277720521 /nfs/dbraw/zinc/72/05/21/277720521.db2.gz IWIYGTALLJTXGB-KRWDZBQOSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@@H]([NH2+]Cc1c[nH]c2ncncc12)[C@H]1CCCN(C2CCC2)C1 ZINC000638970671 430483648 /nfs/dbraw/zinc/48/36/48/430483648.db2.gz MVRSTXKNVQPFLV-KGLIPLIRSA-N 1 3 313.449 2.652 20 0 DFADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000638969362 430483873 /nfs/dbraw/zinc/48/38/73/430483873.db2.gz GKTWMSFVAORVBW-NCOADZHNSA-N 1 3 321.509 2.676 20 0 DFADHO CN(C)C[C@H]1CCCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000569910559 430497119 /nfs/dbraw/zinc/49/71/19/430497119.db2.gz RMILDQXHHCNDMW-QZTJIDSGSA-N 1 3 317.477 2.622 20 0 DFADHO C[NH+](C)[C@H]1CCC[C@@H](NCCC(=O)Nc2cccc(F)c2)C1 ZINC000569921090 430498376 /nfs/dbraw/zinc/49/83/76/430498376.db2.gz OEPLZPZWEVNIAM-ZBFHGGJFSA-N 1 3 307.413 2.617 20 0 DFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000569921090 430498380 /nfs/dbraw/zinc/49/83/80/430498380.db2.gz OEPLZPZWEVNIAM-ZBFHGGJFSA-N 1 3 307.413 2.617 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN1CCCC[C@@H]1CCc1ccccc1 ZINC000569937771 430499125 /nfs/dbraw/zinc/49/91/25/430499125.db2.gz NNHPYVCZRZTXOM-RTBURBONSA-N 1 3 304.478 2.786 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@@H]1CCc1ccccc1 ZINC000569937771 430499128 /nfs/dbraw/zinc/49/91/28/430499128.db2.gz NNHPYVCZRZTXOM-RTBURBONSA-N 1 3 304.478 2.786 20 0 DFADHO CCc1[nH+]c2ccccc2c(N2CCO[C@@H](CN(C)C)C2)c1C ZINC000548782025 430500523 /nfs/dbraw/zinc/50/05/23/430500523.db2.gz XPMKJVPDPGXNAW-HNNXBMFYSA-N 1 3 313.445 2.872 20 0 DFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH3+])c2ccccc21)N(CC)CC ZINC000639068619 430510770 /nfs/dbraw/zinc/51/07/70/430510770.db2.gz YDZCXQATDLJTSZ-GOEBONIOSA-N 1 3 303.450 2.586 20 0 DFADHO c1cc(CCCN2CC[C@@]3(C2)CCC[NH2+]C3)cc2c1OCC2 ZINC000570092970 430513775 /nfs/dbraw/zinc/51/37/75/430513775.db2.gz BZDWEXXQPQHLIK-IBGZPJMESA-N 1 3 300.446 2.630 20 0 DFADHO c1cc(CCC[N@@H+]2CC[C@@]3(C2)CCCNC3)cc2c1OCC2 ZINC000570092970 430513779 /nfs/dbraw/zinc/51/37/79/430513779.db2.gz BZDWEXXQPQHLIK-IBGZPJMESA-N 1 3 300.446 2.630 20 0 DFADHO c1cc(CCC[N@H+]2CC[C@@]3(C2)CCCNC3)cc2c1OCC2 ZINC000570092970 430513784 /nfs/dbraw/zinc/51/37/84/430513784.db2.gz BZDWEXXQPQHLIK-IBGZPJMESA-N 1 3 300.446 2.630 20 0 DFADHO O[C@@H](CCc1ccccc1)CNC1CC[NH+](C2CCC2)CC1 ZINC000570155662 430518635 /nfs/dbraw/zinc/51/86/35/430518635.db2.gz PXKSSZIVXXTTDW-IBGZPJMESA-N 1 3 302.462 2.587 20 0 DFADHO O[C@H](CCc1ccccc1)CNC1CC[NH+](C2CCC2)CC1 ZINC000570155663 430519196 /nfs/dbraw/zinc/51/91/96/430519196.db2.gz PXKSSZIVXXTTDW-LJQANCHMSA-N 1 3 302.462 2.587 20 0 DFADHO CC[NH+](CC)CC1CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000642643675 430523463 /nfs/dbraw/zinc/52/34/63/430523463.db2.gz UCHNHRSOQXPBRQ-QGZVFWFLSA-N 1 3 318.461 2.880 20 0 DFADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106187 430526351 /nfs/dbraw/zinc/52/63/51/430526351.db2.gz WXDHGZMETXSQEI-ROUUACIJSA-N 1 3 301.478 2.929 20 0 DFADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106187 430526355 /nfs/dbraw/zinc/52/63/55/430526355.db2.gz WXDHGZMETXSQEI-ROUUACIJSA-N 1 3 301.478 2.929 20 0 DFADHO C[NH+](C)[C@H]1CCCN(C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106187 430526360 /nfs/dbraw/zinc/52/63/60/430526360.db2.gz WXDHGZMETXSQEI-ROUUACIJSA-N 1 3 301.478 2.929 20 0 DFADHO c1ccc(C[N@@H+]2C[C@H]3CN(CCC[C@H]4CCO4)C[C@H]3C2)cc1 ZINC000639120808 430531918 /nfs/dbraw/zinc/53/19/18/430531918.db2.gz USQGATMPHCEWPC-OTWHNJEPSA-N 1 3 300.446 2.619 20 0 DFADHO c1ccc(C[N@H+]2C[C@H]3CN(CCC[C@H]4CCO4)C[C@H]3C2)cc1 ZINC000639120808 430531919 /nfs/dbraw/zinc/53/19/19/430531919.db2.gz USQGATMPHCEWPC-OTWHNJEPSA-N 1 3 300.446 2.619 20 0 DFADHO COc1cc(C[C@H](C)NC2CC([NH+]3CCCCC3)C2)ccn1 ZINC000639124819 430534309 /nfs/dbraw/zinc/53/43/09/430534309.db2.gz MOYLTBHWULAGFD-OOHWJJMZSA-N 1 3 303.450 2.628 20 0 DFADHO C[C@@H](CN(C)C)[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639168827 430551481 /nfs/dbraw/zinc/55/14/81/430551481.db2.gz VLJJYXQOZDTTSI-KVSKMBFKSA-N 1 3 301.478 2.894 20 0 DFADHO COc1cccc2c1OC[C@H]([NH2+][C@H]1C[C@@H](N)c3ccccc31)C2 ZINC000643451956 430600876 /nfs/dbraw/zinc/60/08/76/430600876.db2.gz CVVWAMSBXZUXSA-XYPHTWIQSA-N 1 3 310.397 2.733 20 0 DFADHO CCN(Cc1c[nH]c2ncncc12)Cc1ccc(C[NH+](C)C)cc1 ZINC000639172427 430554162 /nfs/dbraw/zinc/55/41/62/430554162.db2.gz LPUGDPJDNNTOOR-UHFFFAOYSA-N 1 3 323.444 2.993 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639178948 430557655 /nfs/dbraw/zinc/55/76/55/430557655.db2.gz PVAUKOLACXXNGK-NLWGTHIKSA-N 1 3 313.489 2.929 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639178948 430557657 /nfs/dbraw/zinc/55/76/57/430557657.db2.gz PVAUKOLACXXNGK-NLWGTHIKSA-N 1 3 313.489 2.929 20 0 DFADHO COc1ccc(COCCN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000643441036 430601070 /nfs/dbraw/zinc/60/10/70/430601070.db2.gz OBLNZWQBNJCDJX-INMHGKMJSA-N 1 3 306.450 2.517 20 0 DFADHO CN(C)Cc1cccc(NC(=O)C[C@H]([NH3+])Cc2ccccc2)c1 ZINC000570687073 430568122 /nfs/dbraw/zinc/56/81/22/430568122.db2.gz RZTRJKNQNSTXCN-QGZVFWFLSA-N 1 3 311.429 2.647 20 0 DFADHO C[C@@H](C[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)N(C)C ZINC000639233937 430582335 /nfs/dbraw/zinc/58/23/35/430582335.db2.gz YZRAWBIDCTYJJM-KVSKMBFKSA-N 1 3 301.478 2.894 20 0 DFADHO C[S@](=O)Cc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000552086432 430583347 /nfs/dbraw/zinc/58/33/47/430583347.db2.gz GXUNUXVZSULOSC-QFIPXVFZSA-N 1 3 320.502 2.529 20 0 DFADHO Clc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCNCC3)C2)cc1 ZINC000643453244 430602231 /nfs/dbraw/zinc/60/22/31/430602231.db2.gz SZGDJXGCSCFGMO-GDBMZVCRSA-N 1 3 307.869 2.898 20 0 DFADHO CC[C@H](N)C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000571043173 430599276 /nfs/dbraw/zinc/59/92/76/430599276.db2.gz BOGJPXNQIMTYES-XIRDDKMYSA-N 1 3 305.466 2.605 20 0 DFADHO CC(C)Oc1ccc2nccc(N3CCO[C@@H]([C@@H](C)[NH3+])C3)c2c1 ZINC000643018376 430542544 /nfs/dbraw/zinc/54/25/44/430542544.db2.gz ZXRUNXJVQHYGCJ-FZKQIMNGSA-N 1 3 315.417 2.574 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]C2CCC3(CCCO3)CC2)C[C@@H](C)O1 ZINC000364948762 277889157 /nfs/dbraw/zinc/88/91/57/277889157.db2.gz FUEZOLCGXRXNEL-YYZRRKBYSA-N 1 3 324.509 2.957 20 0 DFADHO C[C@H](N[C@@H](CN1CCCCC1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000643451909 430600736 /nfs/dbraw/zinc/60/07/36/430600736.db2.gz WJRARYRVLBZWRV-WDSOQIARSA-N 1 3 301.478 2.801 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)N2CCCC2)c1 ZINC000571821145 430654951 /nfs/dbraw/zinc/65/49/51/430654951.db2.gz NIMAUVMKMUTQFX-SCTDSRPQSA-N 1 3 317.477 2.692 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCc2cnccn2)CC1 ZINC000639518256 430660286 /nfs/dbraw/zinc/66/02/86/430660286.db2.gz CXVPCDXCCCWMGP-KRWDZBQOSA-N 1 3 316.493 2.996 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCc2cnccn2)CC1 ZINC000639518256 430660287 /nfs/dbraw/zinc/66/02/87/430660287.db2.gz CXVPCDXCCCWMGP-KRWDZBQOSA-N 1 3 316.493 2.996 20 0 DFADHO N[C@H]1CCCCC[C@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000643459661 430603775 /nfs/dbraw/zinc/60/37/75/430603775.db2.gz LOAYRXGBDBNZHY-ZWKOTPCHSA-N 1 3 312.461 2.724 20 0 DFADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1nccn1Cc1ccccc1 ZINC000643459661 430603779 /nfs/dbraw/zinc/60/37/79/430603779.db2.gz LOAYRXGBDBNZHY-ZWKOTPCHSA-N 1 3 312.461 2.724 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000643459659 430604901 /nfs/dbraw/zinc/60/49/01/430604901.db2.gz LOAYRXGBDBNZHY-QZTJIDSGSA-N 1 3 312.461 2.724 20 0 DFADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1nccn1Cc1ccccc1 ZINC000643459659 430604904 /nfs/dbraw/zinc/60/49/04/430604904.db2.gz LOAYRXGBDBNZHY-QZTJIDSGSA-N 1 3 312.461 2.724 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1ccnc(Oc2ccccc2)c1 ZINC000643459806 430604963 /nfs/dbraw/zinc/60/49/63/430604963.db2.gz MJYADBTVRSMURF-MRXNPFEDSA-N 1 3 315.417 2.717 20 0 DFADHO CC[C@H](C)[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)OC ZINC000639310778 430605601 /nfs/dbraw/zinc/60/56/01/430605601.db2.gz HFLTYZLCXABYMS-LPHOPBHVSA-N 1 3 319.493 2.944 20 0 DFADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000643512057 430611282 /nfs/dbraw/zinc/61/12/82/430611282.db2.gz FMWLZKWXZNDSJT-MAZHCROVSA-N 1 3 301.434 2.739 20 0 DFADHO C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643520919 430611311 /nfs/dbraw/zinc/61/13/11/430611311.db2.gz CYDRFCSKOFGXJO-BFQNTYOBSA-N 1 3 301.434 2.565 20 0 DFADHO CC(C)[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000643521829 430612579 /nfs/dbraw/zinc/61/25/79/430612579.db2.gz CPSCPVWCMDUGFW-BBRMVZONSA-N 1 3 303.406 2.962 20 0 DFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCCNCC2)cc1OC ZINC000643522781 430613180 /nfs/dbraw/zinc/61/31/80/430613180.db2.gz SMBZXEKETXDDIA-FMKPAKJESA-N 1 3 306.450 2.928 20 0 DFADHO COc1cc([C@H](C)N[C@@H]2CC23CC[NH2+]CC3)cc(OC)c1OC ZINC000643534052 430613600 /nfs/dbraw/zinc/61/36/00/430613600.db2.gz KIQWUQMWMYNKEJ-BLLLJJGKSA-N 1 3 320.433 2.505 20 0 DFADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1cc(-c2ccccc2)nn1C ZINC000643536934 430615018 /nfs/dbraw/zinc/61/50/18/430615018.db2.gz YWKIQHINFXZAGZ-KBXCAEBGSA-N 1 3 310.445 2.880 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCc2cnc(SC3CCCC3)nc2)C1 ZINC000572257318 430678825 /nfs/dbraw/zinc/67/88/25/430678825.db2.gz MGQCKMCVLQGSFB-CABCVRRESA-N 1 3 320.506 2.913 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C1 ZINC000572257318 430678827 /nfs/dbraw/zinc/67/88/27/430678827.db2.gz MGQCKMCVLQGSFB-CABCVRRESA-N 1 3 320.506 2.913 20 0 DFADHO C[C@H](C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)N1CCCCCC1 ZINC000357774837 278152054 /nfs/dbraw/zinc/15/20/54/278152054.db2.gz ZNGLYXQOMDMWHX-IXDOHACOSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)N1CCCCCC1 ZINC000357774837 278152056 /nfs/dbraw/zinc/15/20/56/278152056.db2.gz ZNGLYXQOMDMWHX-IXDOHACOSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])N(C)Cc1ccccc1 ZINC000296108978 278197875 /nfs/dbraw/zinc/19/78/75/278197875.db2.gz SGCAPMGFBOHWGA-NXHRZFHOSA-N 1 3 317.477 2.531 20 0 DFADHO C[C@@H](C(=O)NC1CCCCC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374173159 278206047 /nfs/dbraw/zinc/20/60/47/278206047.db2.gz HCKASYPORZFIPG-INIZCTEOSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000278158462 278365263 /nfs/dbraw/zinc/36/52/63/278365263.db2.gz ATJZPWONMPATNF-RYRKJORJSA-N 1 3 312.461 2.981 20 0 DFADHO CSc1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000657751368 430724735 /nfs/dbraw/zinc/72/47/35/430724735.db2.gz HQODMCJFCWQDKZ-ZDUSSCGKSA-N 1 3 312.504 2.813 20 0 DFADHO c1n[nH]cc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657772079 430733372 /nfs/dbraw/zinc/73/33/72/430733372.db2.gz RCSKKNLJDKZKFI-SFHVURJKSA-N 1 3 310.445 2.802 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H](C3CC3)C3CCCC3)C2)CC1 ZINC000651228286 430743660 /nfs/dbraw/zinc/74/36/60/430743660.db2.gz JXEXYSMLDHYNJP-IEBWSBKVSA-N 1 3 305.510 2.713 20 0 DFADHO CC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccsc1 ZINC000651228313 430744418 /nfs/dbraw/zinc/74/44/18/430744418.db2.gz OYYZQPSQNVTSLD-NVXWUHKLSA-N 1 3 307.507 2.957 20 0 DFADHO COC[C@@H](CC1CCOCC1)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000657828271 430745569 /nfs/dbraw/zinc/74/55/69/430745569.db2.gz RDLNAQQRUMSQFV-LJQANCHMSA-N 1 3 320.477 2.670 20 0 DFADHO CN(C)CCOc1ccccc1C[NH2+]C1CC(CF)(CF)C1 ZINC000657862659 430754422 /nfs/dbraw/zinc/75/44/22/430754422.db2.gz PPUCSWDZRZJFKR-UHFFFAOYSA-N 1 3 312.404 2.804 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000644583798 430761180 /nfs/dbraw/zinc/76/11/80/430761180.db2.gz KMSZJLSKWOOXOZ-LSDHHAIUSA-N 1 3 321.440 2.925 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000644583798 430761184 /nfs/dbraw/zinc/76/11/84/430761184.db2.gz KMSZJLSKWOOXOZ-LSDHHAIUSA-N 1 3 321.440 2.925 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cc2cnccc2o1 ZINC000657901290 430763327 /nfs/dbraw/zinc/76/33/27/430763327.db2.gz BHTHXBGMBSMLSW-DZGCQCFKSA-N 1 3 305.422 2.835 20 0 DFADHO C[N@H+](C[C@@H](O)CN[C@H]1C[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000644637033 430776283 /nfs/dbraw/zinc/77/62/83/430776283.db2.gz DOJGKQNLHUJGNH-QRTARXTBSA-N 1 3 308.853 2.631 20 0 DFADHO C[N@@H+](C[C@@H](O)CN[C@H]1C[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000644637033 430776288 /nfs/dbraw/zinc/77/62/88/430776288.db2.gz DOJGKQNLHUJGNH-QRTARXTBSA-N 1 3 308.853 2.631 20 0 DFADHO Cc1c([C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)cnn1C(C)C ZINC000658108697 430815702 /nfs/dbraw/zinc/81/57/02/430815702.db2.gz QVOJOKAVAPEVMD-JKSUJKDBSA-N 1 3 323.529 2.695 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@]1(C)CCCO1 ZINC000658166812 430833565 /nfs/dbraw/zinc/83/35/65/430833565.db2.gz PGSRKMUEHLYTCE-VQIMIIECSA-N 1 3 317.477 2.841 20 0 DFADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CCOC1 ZINC000658166785 430833731 /nfs/dbraw/zinc/83/37/31/430833731.db2.gz OVIDCAHKMWPPRP-MOPGFXCFSA-N 1 3 317.477 2.698 20 0 DFADHO CN(C)Cc1ccc(F)c(-c2cncc([C@@H]3OCC[C@H]3[NH3+])c2)c1 ZINC000665196213 430851050 /nfs/dbraw/zinc/85/10/50/430851050.db2.gz GPDYIKPDNUGGKD-MSOLQXFVSA-N 1 3 315.392 2.738 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1noc2ccccc12 ZINC000665232534 430864842 /nfs/dbraw/zinc/86/48/42/430864842.db2.gz OOXTUQISYFHUFN-KBXCAEBGSA-N 1 3 309.413 2.918 20 0 DFADHO C[C@H]1[C@@H]([NH2+]CC2(N)CCCC2)CCCN1Cc1ccccc1 ZINC000665247005 430867864 /nfs/dbraw/zinc/86/78/64/430867864.db2.gz SXUOURINBSFMJT-WMZOPIPTSA-N 1 3 301.478 2.901 20 0 DFADHO C[C@H]1[C@@H](NCC2([NH3+])CCCC2)CCCN1Cc1ccccc1 ZINC000665247005 430867866 /nfs/dbraw/zinc/86/78/66/430867866.db2.gz SXUOURINBSFMJT-WMZOPIPTSA-N 1 3 301.478 2.901 20 0 DFADHO C[C@H](CCCCO)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253136 430870603 /nfs/dbraw/zinc/87/06/03/430870603.db2.gz HWELABXLZNZYOV-SUYBPPKGSA-N 1 3 312.404 2.551 20 0 DFADHO C[C@H]1[C@H](O)CCCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648723994 430871754 /nfs/dbraw/zinc/87/17/54/430871754.db2.gz LCYMPBNDISHDFH-QFBILLFUSA-N 1 3 318.461 2.506 20 0 DFADHO CO[C@H]1CCC[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000665257498 430872852 /nfs/dbraw/zinc/87/28/52/430872852.db2.gz LJRVHJAZJKTORM-XMTFNYHQSA-N 1 3 306.425 2.818 20 0 DFADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)[C@H]2C[C@@H]2C)cc1F ZINC000665259769 430872890 /nfs/dbraw/zinc/87/28/90/430872890.db2.gz PEJKWMQTDIPUPW-QGGCBUBRSA-N 1 3 306.425 2.914 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000648730262 430873542 /nfs/dbraw/zinc/87/35/42/430873542.db2.gz OZKVURSTYDOSST-RHSMWYFYSA-N 1 3 303.450 2.807 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000648730262 430873550 /nfs/dbraw/zinc/87/35/50/430873550.db2.gz OZKVURSTYDOSST-RHSMWYFYSA-N 1 3 303.450 2.807 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294428 430889515 /nfs/dbraw/zinc/88/95/15/430889515.db2.gz OQEIVUMCMKHTIG-OTWHNJEPSA-N 1 3 318.461 2.599 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccc(COC[C@H]3CCCO3)c2)C1 ZINC000665294637 430889529 /nfs/dbraw/zinc/88/95/29/430889529.db2.gz SLKJKLVWIYTXOX-GUDVDZBRSA-N 1 3 318.461 2.742 20 0 DFADHO c1ccc([C@H]2CC[C@H]2N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000665273711 430878679 /nfs/dbraw/zinc/87/86/79/430878679.db2.gz CELMQTGYGGTQJE-RHQZKXFESA-N 1 3 300.446 2.679 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000658337946 430879419 /nfs/dbraw/zinc/87/94/19/430879419.db2.gz BLTOVRHKLUTGGU-RXABAKJHSA-N 1 3 302.462 2.613 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000658337946 430879420 /nfs/dbraw/zinc/87/94/20/430879420.db2.gz BLTOVRHKLUTGGU-RXABAKJHSA-N 1 3 302.462 2.613 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299916 430890674 /nfs/dbraw/zinc/89/06/74/430890674.db2.gz VILFNBNLIUCBCB-YOEHRIQHSA-N 1 3 316.493 2.621 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299916 430890678 /nfs/dbraw/zinc/89/06/78/430890678.db2.gz VILFNBNLIUCBCB-YOEHRIQHSA-N 1 3 316.493 2.621 20 0 DFADHO [NH3+]CC1CCC(N[C@@H]2CCc3ccccc3-n3ccnc32)CC1 ZINC000665299880 430891393 /nfs/dbraw/zinc/89/13/93/430891393.db2.gz UYHLKSWJIQWFIW-BDVYOWHSSA-N 1 3 310.445 2.967 20 0 DFADHO CCC(CC)Nc1ccncc1NC(=O)CC1CC[NH+](C)CC1 ZINC000655098600 430895283 /nfs/dbraw/zinc/89/52/83/430895283.db2.gz CBXLNWNRPIEWLN-UHFFFAOYSA-N 1 3 318.465 2.774 20 0 DFADHO CC(C)(CNCc1cc(C2CC[NH2+]CC2)no1)[C@@H]1CCCCO1 ZINC000645075923 430897085 /nfs/dbraw/zinc/89/70/85/430897085.db2.gz YWZNNXXASVQMFN-KRWDZBQOSA-N 1 3 321.465 2.827 20 0 DFADHO Cc1cc(F)ccc1[C@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000363589143 278702795 /nfs/dbraw/zinc/70/27/95/278702795.db2.gz KQSOJHRWVFDTCC-LJQANCHMSA-N 1 3 320.452 2.975 20 0 DFADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)N1CCCCC1 ZINC000648845266 430910743 /nfs/dbraw/zinc/91/07/43/430910743.db2.gz QBPDIVMGIAVWGG-AEFFLSMTSA-N 1 3 323.525 2.686 20 0 DFADHO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc(OCCN(C)C)cc2)C1 ZINC000648872457 430922960 /nfs/dbraw/zinc/92/29/60/430922960.db2.gz BTDHYBCNFWTYAR-SFHVURJKSA-N 1 3 319.493 2.542 20 0 DFADHO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(OCCN(C)C)cc2)C1 ZINC000648872457 430922966 /nfs/dbraw/zinc/92/29/66/430922966.db2.gz BTDHYBCNFWTYAR-SFHVURJKSA-N 1 3 319.493 2.542 20 0 DFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000648907500 430932414 /nfs/dbraw/zinc/93/24/14/430932414.db2.gz BEFOLZSYAFWRKP-FUHWJXTLSA-N 1 3 321.509 2.773 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](C3CCC3)C2)CC1 ZINC000662041516 430935064 /nfs/dbraw/zinc/93/50/64/430935064.db2.gz BRMBIWARYDGDDG-IBGZPJMESA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](C3CCC3)C2)CC1 ZINC000662041516 430935071 /nfs/dbraw/zinc/93/50/71/430935071.db2.gz BRMBIWARYDGDDG-IBGZPJMESA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)CC1([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000662072368 430947983 /nfs/dbraw/zinc/94/79/83/430947983.db2.gz RCVXWDBXRLFLID-QGZVFWFLSA-N 1 3 317.477 2.574 20 0 DFADHO CCCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000648996656 430962961 /nfs/dbraw/zinc/96/29/61/430962961.db2.gz XLRDWZBSOCKJRE-MSOLQXFVSA-N 1 3 317.477 2.622 20 0 DFADHO Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662257923 431019556 /nfs/dbraw/zinc/01/95/56/431019556.db2.gz RILADUXQLAKZOA-QZTJIDSGSA-N 1 3 300.446 2.523 20 0 DFADHO Cc1ccc(C[C@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662257923 431019561 /nfs/dbraw/zinc/01/95/61/431019561.db2.gz RILADUXQLAKZOA-QZTJIDSGSA-N 1 3 300.446 2.523 20 0 DFADHO c1ccc([C@@H]2CC[C@@H](CN3CCN([C@@H]4CC[NH2+]C4)CC3)C2)cc1 ZINC000662272360 431026755 /nfs/dbraw/zinc/02/67/55/431026755.db2.gz FGUPEFQMCRUJKM-MISYRCLQSA-N 1 3 313.489 2.550 20 0 DFADHO NC[C@H]1C[N@H+](CC[C@H]2CCc3ccccc32)CC12CCOCC2 ZINC000662272642 431028556 /nfs/dbraw/zinc/02/85/56/431028556.db2.gz GNLQVJLCDDHAIB-MSOLQXFVSA-N 1 3 314.473 2.794 20 0 DFADHO NC[C@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CC12CCOCC2 ZINC000662272642 431028560 /nfs/dbraw/zinc/02/85/60/431028560.db2.gz GNLQVJLCDDHAIB-MSOLQXFVSA-N 1 3 314.473 2.794 20 0 DFADHO C[C@@H]1CCCN(CCc2nc(-c3ccccc3)no2)[C@H]1CC[NH3+] ZINC000652355199 431029560 /nfs/dbraw/zinc/02/95/60/431029560.db2.gz QUCIVOOZCCGHCZ-ZBFHGGJFSA-N 1 3 314.433 2.728 20 0 DFADHO Fc1ccc(OC(F)F)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000662274773 431029709 /nfs/dbraw/zinc/02/97/09/431029709.db2.gz WYOPNRNNZWTANV-TXEJJXNPSA-N 1 3 314.351 2.859 20 0 DFADHO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)c1 ZINC000662277066 431030923 /nfs/dbraw/zinc/03/09/23/431030923.db2.gz DBBGCMSOVIKQJM-AEFFLSMTSA-N 1 3 300.446 2.961 20 0 DFADHO Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)c1 ZINC000662277066 431030936 /nfs/dbraw/zinc/03/09/36/431030936.db2.gz DBBGCMSOVIKQJM-AEFFLSMTSA-N 1 3 300.446 2.961 20 0 DFADHO Cc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(C)n1 ZINC000652364146 431032580 /nfs/dbraw/zinc/03/25/80/431032580.db2.gz ZLZVKNQIUIXLLL-KZNAEPCWSA-N 1 3 303.450 2.559 20 0 DFADHO FC(F)(F)[C@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC12CCC2 ZINC000662280829 431032899 /nfs/dbraw/zinc/03/28/99/431032899.db2.gz GCHXACWCUHRCHL-STQMWFEESA-N 1 3 318.383 2.562 20 0 DFADHO COc1ccc(-c2cc(CN3CCC(CC[NH3+])CC3)on2)cc1 ZINC000662283899 431032981 /nfs/dbraw/zinc/03/29/81/431032981.db2.gz LCIPJIMQODMZAT-UHFFFAOYSA-N 1 3 315.417 2.911 20 0 DFADHO CC(C)C[C@@H](C)N(C)C(=O)CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290997 431035862 /nfs/dbraw/zinc/03/58/62/431035862.db2.gz AZKZOQAJOYNIOB-AEFFLSMTSA-N 1 3 323.525 2.591 20 0 DFADHO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662294886 431036304 /nfs/dbraw/zinc/03/63/04/431036304.db2.gz GJZVCWAKAODJHR-DLBZAZTESA-N 1 3 300.446 2.961 20 0 DFADHO Cc1cccc(C)c1[C@H]1CCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662294886 431036308 /nfs/dbraw/zinc/03/63/08/431036308.db2.gz GJZVCWAKAODJHR-DLBZAZTESA-N 1 3 300.446 2.961 20 0 DFADHO C[C@@H](C(=O)NC1CCCCC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298029 431039011 /nfs/dbraw/zinc/03/90/11/431039011.db2.gz UEGVHVHOXPJIOL-DOTOQJQBSA-N 1 3 321.509 2.535 20 0 DFADHO CC[C@@H]1CCCCN1C(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313337 431043686 /nfs/dbraw/zinc/04/36/86/431043686.db2.gz KMJLDNFBCUDSIG-BRWVUGGUSA-N 1 3 309.498 2.617 20 0 DFADHO CC[C@@H](NC)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000662388381 431069824 /nfs/dbraw/zinc/06/98/24/431069824.db2.gz NUOVIZFPDHRLFR-RHSMWYFYSA-N 1 3 303.450 2.998 20 0 DFADHO CC[C@@H](NC)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000662388381 431069830 /nfs/dbraw/zinc/06/98/30/431069830.db2.gz NUOVIZFPDHRLFR-RHSMWYFYSA-N 1 3 303.450 2.998 20 0 DFADHO CCc1ccc2nccc(N3CC[NH+](C(C)(C)CO)CC3)c2c1 ZINC000649277918 431054657 /nfs/dbraw/zinc/05/46/57/431054657.db2.gz KYCCLSCMRTUIGL-UHFFFAOYSA-N 1 3 313.445 2.690 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccsc1 ZINC000649292670 431058593 /nfs/dbraw/zinc/05/85/93/431058593.db2.gz YHZLOAORWGFAJJ-CWRNSKLLSA-N 1 3 323.506 2.622 20 0 DFADHO CN(Cc1ccc2c(c1)OCCO2)Cc1cccc2c1CC[NH2+]C2 ZINC000662248521 431013025 /nfs/dbraw/zinc/01/30/25/431013025.db2.gz FANJEVLIKKUISH-UHFFFAOYSA-N 1 3 324.424 2.736 20 0 DFADHO CN(CCOc1ccc(F)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662248952 431013647 /nfs/dbraw/zinc/01/36/47/431013647.db2.gz MKUSVWZPTDQLOG-UHFFFAOYSA-N 1 3 314.404 2.982 20 0 DFADHO COc1cc(CN(C)Cc2cccc3c2CC[NH2+]C3)ccc1O ZINC000662248510 431013712 /nfs/dbraw/zinc/01/37/12/431013712.db2.gz DLORGRKDMHRREX-UHFFFAOYSA-N 1 3 312.413 2.679 20 0 DFADHO C[C@@H]1SCCN(C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H]1c1ccccc1 ZINC000662254976 431015168 /nfs/dbraw/zinc/01/51/68/431015168.db2.gz NDDBVYOZPUSBGL-UAGQMJEPSA-N 1 3 318.486 2.686 20 0 DFADHO Cc1ccc(C[C@H]2CCC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256147 431015262 /nfs/dbraw/zinc/01/52/62/431015262.db2.gz HDZAXVIJGNBRJS-MOPGFXCFSA-N 1 3 314.473 2.771 20 0 DFADHO Cc1ccc(C[C@H]2CCC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256147 431015266 /nfs/dbraw/zinc/01/52/66/431015266.db2.gz HDZAXVIJGNBRJS-MOPGFXCFSA-N 1 3 314.473 2.771 20 0 DFADHO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662249926 431015398 /nfs/dbraw/zinc/01/53/98/431015398.db2.gz VLICTKVZKJHBQI-QAPCUYQASA-N 1 3 300.446 2.808 20 0 DFADHO C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662249926 431015399 /nfs/dbraw/zinc/01/53/99/431015399.db2.gz VLICTKVZKJHBQI-QAPCUYQASA-N 1 3 300.446 2.808 20 0 DFADHO c1cc(C[N@@H+]2CCCC3(CCOCC3)C2)c2c(c1)CNCC2 ZINC000662254722 431015473 /nfs/dbraw/zinc/01/54/73/431015473.db2.gz KEIBRUCPQBEYFL-UHFFFAOYSA-N 1 3 300.446 2.725 20 0 DFADHO c1cc(C[N@H+]2CCCC3(CCOCC3)C2)c2c(c1)CNCC2 ZINC000662254722 431015476 /nfs/dbraw/zinc/01/54/76/431015476.db2.gz KEIBRUCPQBEYFL-UHFFFAOYSA-N 1 3 300.446 2.725 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662258041 431017712 /nfs/dbraw/zinc/01/77/12/431017712.db2.gz WHKYVLRIFQGJJM-BBWFWOEESA-N 1 3 300.446 2.694 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662258041 431017718 /nfs/dbraw/zinc/01/77/18/431017718.db2.gz WHKYVLRIFQGJJM-BBWFWOEESA-N 1 3 300.446 2.694 20 0 DFADHO O[C@H](CN[C@H]1CCc2cccc(Cl)c2C1)C[NH+]1CCCCC1 ZINC000666085006 431112246 /nfs/dbraw/zinc/11/22/46/431112246.db2.gz PYGWVCYVCBLECH-JKSUJKDBSA-N 1 3 322.880 2.634 20 0 DFADHO Cc1cncc(CCN2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000649486395 431117645 /nfs/dbraw/zinc/11/76/45/431117645.db2.gz KQEIKPXTASCJPS-UHFFFAOYSA-N 1 3 316.493 2.916 20 0 DFADHO CC(C)O[C@@H]1CCN(C/C=C\C[N@@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000645944792 431124039 /nfs/dbraw/zinc/12/40/39/431124039.db2.gz DZCOTOVYVOOAIG-OSFIAYCASA-N 1 3 310.482 2.541 20 0 DFADHO CC(C)O[C@@H]1CCN(C/C=C\C[N@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000645944792 431124045 /nfs/dbraw/zinc/12/40/45/431124045.db2.gz DZCOTOVYVOOAIG-OSFIAYCASA-N 1 3 310.482 2.541 20 0 DFADHO CC(C)[NH2+]CC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000662401383 431070952 /nfs/dbraw/zinc/07/09/52/431070952.db2.gz SZYVYSVXDBGSTN-GOSISDBHSA-N 1 3 317.477 2.574 20 0 DFADHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000662401654 431071807 /nfs/dbraw/zinc/07/18/07/431071807.db2.gz ZBVWTPGQXXRHNY-MSOLQXFVSA-N 1 3 317.477 2.574 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)c1cccc2c1CNC2 ZINC000662442040 431081286 /nfs/dbraw/zinc/08/12/86/431081286.db2.gz IEWKTUFHZMHHJK-UHFFFAOYSA-N 1 3 303.450 2.532 20 0 DFADHO CCCN(CCN1CCCCCC1)C(=O)NCC1([NH3+])CCCC1 ZINC000659577049 431092010 /nfs/dbraw/zinc/09/20/10/431092010.db2.gz HUNUXCCUISSSCY-UHFFFAOYSA-N 1 3 324.513 2.556 20 0 DFADHO CCN1C[C@@H](CN(C)CCC2CC[NH2+]CC2)Oc2ccccc21 ZINC000649411342 431094444 /nfs/dbraw/zinc/09/44/44/431094444.db2.gz KHGPHMZDWRCQIG-QGZVFWFLSA-N 1 3 317.477 2.595 20 0 DFADHO C[C@@H](c1cccnc1)N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000649414593 431096571 /nfs/dbraw/zinc/09/65/71/431096571.db2.gz KFVKXVZHOUCLQV-KRWDZBQOSA-N 1 3 316.493 2.540 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)c2ccccc21 ZINC000289301310 278986998 /nfs/dbraw/zinc/98/69/98/278986998.db2.gz SEDZQZFCDHXOCE-BEFAXECRSA-N 1 3 301.478 2.851 20 0 DFADHO Cc1nc(C)c([C@@H](C)NCCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000178070632 279079192 /nfs/dbraw/zinc/07/91/92/279079192.db2.gz ZYFHLIZFJYRLBW-IUODEOHRSA-N 1 3 311.495 2.647 20 0 DFADHO Cc1nc(C)c([C@@H](C)NCCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000178070632 279079194 /nfs/dbraw/zinc/07/91/94/279079194.db2.gz ZYFHLIZFJYRLBW-IUODEOHRSA-N 1 3 311.495 2.647 20 0 DFADHO CC(C)C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccn1 ZINC000282328244 279192762 /nfs/dbraw/zinc/19/27/62/279192762.db2.gz OAHLHVKHSDOYAY-SFHVURJKSA-N 1 3 318.509 2.784 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363918570 279247126 /nfs/dbraw/zinc/24/71/26/279247126.db2.gz CZJIQDQEQHCVKD-COXVUDFISA-N 1 3 319.424 2.759 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363918570 279247128 /nfs/dbraw/zinc/24/71/28/279247128.db2.gz CZJIQDQEQHCVKD-COXVUDFISA-N 1 3 319.424 2.759 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662683415 431162955 /nfs/dbraw/zinc/16/29/55/431162955.db2.gz NTFZSPDBUODYPP-IYBDPMFKSA-N 1 3 321.509 2.535 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662683415 431162960 /nfs/dbraw/zinc/16/29/60/431162960.db2.gz NTFZSPDBUODYPP-IYBDPMFKSA-N 1 3 321.509 2.535 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2NCc3ccccc32)C[C@@H]1C ZINC000662743834 431182237 /nfs/dbraw/zinc/18/22/37/431182237.db2.gz VMBYEZPQHHFKEV-ZVZYQTTQSA-N 1 3 315.461 2.552 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2NCc3ccccc32)C[C@@H]1C ZINC000662743834 431182246 /nfs/dbraw/zinc/18/22/46/431182246.db2.gz VMBYEZPQHHFKEV-ZVZYQTTQSA-N 1 3 315.461 2.552 20 0 DFADHO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000655844783 431184191 /nfs/dbraw/zinc/18/41/91/431184191.db2.gz XBBZJSTWDLBHQB-MRXNPFEDSA-N 1 3 313.445 2.743 20 0 DFADHO CO[C@H](C[NH+]1CCC(OCCN(C)C)CC1)C1CCCCC1 ZINC000659919461 431187550 /nfs/dbraw/zinc/18/75/50/431187550.db2.gz HSSPWBLJMAXSQQ-GOSISDBHSA-N 1 3 312.498 2.624 20 0 DFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662788609 431194440 /nfs/dbraw/zinc/19/44/40/431194440.db2.gz PDBBXZINXNPYAW-BZUAXINKSA-N 1 3 319.493 2.512 20 0 DFADHO CC1CCN([C@H](CNC(=O)CC2([NH3+])CC2)c2cccs2)CC1 ZINC000662662600 431154268 /nfs/dbraw/zinc/15/42/68/431154268.db2.gz HWWPRZYNMQHEOH-CQSZACIVSA-N 1 3 321.490 2.519 20 0 DFADHO COc1cc(F)c([C@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000655806306 431156931 /nfs/dbraw/zinc/15/69/31/431156931.db2.gz UTIPHRLGHFVDJW-RWMBFGLXSA-N 1 3 310.413 2.834 20 0 DFADHO Cc1c([C@@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)nnn1-c1ccccc1 ZINC000655805542 431158314 /nfs/dbraw/zinc/15/83/14/431158314.db2.gz ITALNEXJXZHHQG-UNEWFSDZSA-N 1 3 313.449 2.567 20 0 DFADHO C[C@H]1C[C@@H](N(C)C(=O)CCCC[NH3+])CCN1Cc1ccccc1 ZINC000646046042 431158718 /nfs/dbraw/zinc/15/87/18/431158718.db2.gz AKZZPWPNDGQBTM-WMZOPIPTSA-N 1 3 317.477 2.627 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CC[N@H+](C[C@@H]2CCCN2C)C1 ZINC000649622793 431202285 /nfs/dbraw/zinc/20/22/85/431202285.db2.gz UWYKVESXIKDOEZ-HKUYNNGSSA-N 1 3 301.478 2.535 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CC[N@@H+](C[C@@H]2CCCN2C)C1 ZINC000649622793 431202290 /nfs/dbraw/zinc/20/22/90/431202290.db2.gz UWYKVESXIKDOEZ-HKUYNNGSSA-N 1 3 301.478 2.535 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CC[N@H+](C[C@H]2CCCN2C)C1 ZINC000649622796 431202341 /nfs/dbraw/zinc/20/23/41/431202341.db2.gz UWYKVESXIKDOEZ-PKOBYXMFSA-N 1 3 301.478 2.535 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CC[N@@H+](C[C@H]2CCCN2C)C1 ZINC000649622796 431202347 /nfs/dbraw/zinc/20/23/47/431202347.db2.gz UWYKVESXIKDOEZ-PKOBYXMFSA-N 1 3 301.478 2.535 20 0 DFADHO CCC[NH+]1CCC(N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000666353042 431202738 /nfs/dbraw/zinc/20/27/38/431202738.db2.gz QMDLBORNYOGXTC-MOPGFXCFSA-N 1 3 301.478 2.896 20 0 DFADHO CCCN1CCC([NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000666353042 431202746 /nfs/dbraw/zinc/20/27/46/431202746.db2.gz QMDLBORNYOGXTC-MOPGFXCFSA-N 1 3 301.478 2.896 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000655910572 431213294 /nfs/dbraw/zinc/21/32/94/431213294.db2.gz YQRHNRKBJCATPR-DLBZAZTESA-N 1 3 316.449 2.592 20 0 DFADHO [NH3+][C@H](CCC(=O)N[C@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000662839006 431215186 /nfs/dbraw/zinc/21/51/86/431215186.db2.gz OJLLCCNOXGWLJZ-FGTMMUONSA-N 1 3 315.461 2.600 20 0 DFADHO C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1CCC[NH3+] ZINC000662892702 431230641 /nfs/dbraw/zinc/23/06/41/431230641.db2.gz GXJCDLUSMGIZPG-CRAIPNDOSA-N 1 3 317.477 2.728 20 0 DFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC1([NH3+])CCC1 ZINC000646254041 431241123 /nfs/dbraw/zinc/24/11/23/431241123.db2.gz KUWWOSLGXZHCBD-UHFFFAOYSA-N 1 3 323.868 2.502 20 0 DFADHO CC[C@H](CC(F)F)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000660118796 431278634 /nfs/dbraw/zinc/27/86/34/431278634.db2.gz WYVUVLXXNLUJDP-KBUPBQIOSA-N 1 3 304.425 2.851 20 0 DFADHO Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCOCC1 ZINC000656197401 431305996 /nfs/dbraw/zinc/30/59/96/431305996.db2.gz HDHOKNHYWIJRQP-DLBZAZTESA-N 1 3 302.462 2.903 20 0 DFADHO CCN(CC)C(=O)c1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000656197126 431306342 /nfs/dbraw/zinc/30/63/42/431306342.db2.gz GPKUMDCGGHSLHO-IRXDYDNUSA-N 1 3 303.450 2.528 20 0 DFADHO CCCCC[N@H+](CCNC(=O)C1(N)CCC1)Cc1ccccc1 ZINC000653200816 431307273 /nfs/dbraw/zinc/30/72/73/431307273.db2.gz QYPSITROJFFMGZ-UHFFFAOYSA-N 1 3 317.477 2.676 20 0 DFADHO CCCCC[N@@H+](CCNC(=O)C1(N)CCC1)Cc1ccccc1 ZINC000653200816 431307278 /nfs/dbraw/zinc/30/72/78/431307278.db2.gz QYPSITROJFFMGZ-UHFFFAOYSA-N 1 3 317.477 2.676 20 0 DFADHO C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000653214301 431315981 /nfs/dbraw/zinc/31/59/81/431315981.db2.gz OWGQNUKBJNXZCZ-GOSISDBHSA-N 1 3 317.477 2.533 20 0 DFADHO C[C@@H]1C[C@H](CN2CCN(c3ccccc3F)C[C@H]2C)CC[NH2+]1 ZINC000666699154 431328338 /nfs/dbraw/zinc/32/83/38/431328338.db2.gz XJFYLDRQGAYARJ-BZUAXINKSA-N 1 3 305.441 2.724 20 0 DFADHO CCC[C@@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653252964 431337738 /nfs/dbraw/zinc/33/77/38/431337738.db2.gz APPIGXXUSAVIRG-MRXNPFEDSA-N 1 3 321.490 2.940 20 0 DFADHO C[C@H](NCCO[C@H]1CC1(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256401 431345051 /nfs/dbraw/zinc/34/50/51/431345051.db2.gz LUATZTFUKBPLSK-YDHLFZDLSA-N 1 3 302.409 2.653 20 0 DFADHO C[C@H](NCCO[C@H]1CC1(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256401 431345058 /nfs/dbraw/zinc/34/50/58/431345058.db2.gz LUATZTFUKBPLSK-YDHLFZDLSA-N 1 3 302.409 2.653 20 0 DFADHO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)[C@H]1CCCN(C2CCC2)C1 ZINC000660256401 431345063 /nfs/dbraw/zinc/34/50/63/431345063.db2.gz LUATZTFUKBPLSK-YDHLFZDLSA-N 1 3 302.409 2.653 20 0 DFADHO CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000656274836 431349298 /nfs/dbraw/zinc/34/92/98/431349298.db2.gz NPFUTYVOLXGMIY-JCNLHEQBSA-N 1 3 303.450 2.986 20 0 DFADHO COc1cccc(CN[C@H]2CC23CC[NH2+]CC3)c1OC(F)F ZINC000666950957 431420644 /nfs/dbraw/zinc/42/06/44/431420644.db2.gz SWTSUHWFRUPFCG-ZDUSSCGKSA-N 1 3 312.360 2.528 20 0 DFADHO CN(C(=O)CCNCC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000663361547 431385103 /nfs/dbraw/zinc/38/51/03/431385103.db2.gz NXZJNYRCCPWBSL-UHFFFAOYSA-N 1 3 317.477 2.751 20 0 DFADHO CN(C(=O)CC[NH2+]CC(C)(C)CN1CCCC1)c1ccccc1 ZINC000663361547 431385110 /nfs/dbraw/zinc/38/51/10/431385110.db2.gz NXZJNYRCCPWBSL-UHFFFAOYSA-N 1 3 317.477 2.751 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000666857861 431386366 /nfs/dbraw/zinc/38/63/66/431386366.db2.gz MULBTHSWHHDXPN-TZMCWYRMSA-N 1 3 309.841 2.789 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)cc1O ZINC000666993778 431438721 /nfs/dbraw/zinc/43/87/21/431438721.db2.gz IXXHSTRRXSKJPM-HOCLYGCPSA-N 1 3 318.461 2.986 20 0 DFADHO CCN1CCN(c2cccc(N[C@H](C)[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000667030920 431451426 /nfs/dbraw/zinc/45/14/26/431451426.db2.gz BVTFQBCYEUMMEW-SJORKVTESA-N 1 3 316.493 2.629 20 0 DFADHO FCCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000663463283 431427893 /nfs/dbraw/zinc/42/78/93/431427893.db2.gz ZDCLKNHOVDOBIA-NNZMDNLPSA-N 1 3 306.425 2.758 20 0 DFADHO FCCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000663463283 431427899 /nfs/dbraw/zinc/42/78/99/431427899.db2.gz ZDCLKNHOVDOBIA-NNZMDNLPSA-N 1 3 306.425 2.758 20 0 DFADHO COc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)n1 ZINC000663468773 431434668 /nfs/dbraw/zinc/43/46/68/431434668.db2.gz MRWNXFAIERBOCK-NVXWUHKLSA-N 1 3 317.477 2.733 20 0 DFADHO COc1cccc(C[C@@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663468773 431434675 /nfs/dbraw/zinc/43/46/75/431434675.db2.gz MRWNXFAIERBOCK-NVXWUHKLSA-N 1 3 317.477 2.733 20 0 DFADHO COc1cccc(C[C@@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663468773 431434683 /nfs/dbraw/zinc/43/46/83/431434683.db2.gz MRWNXFAIERBOCK-NVXWUHKLSA-N 1 3 317.477 2.733 20 0 DFADHO CCc1ccc([C@H]2CC[N@H+](C[C@H](O)CN(C)C(C)C)C2)cc1 ZINC000660623493 431519218 /nfs/dbraw/zinc/51/92/18/431519218.db2.gz NSLWETRGKQWHCG-RBUKOAKNSA-N 1 3 304.478 2.739 20 0 DFADHO CCc1ccc([C@H]2CC[N@@H+](C[C@H](O)CN(C)C(C)C)C2)cc1 ZINC000660623493 431519224 /nfs/dbraw/zinc/51/92/24/431519224.db2.gz NSLWETRGKQWHCG-RBUKOAKNSA-N 1 3 304.478 2.739 20 0 DFADHO c1cc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c2c(c1)OCCO2 ZINC000656786401 431521638 /nfs/dbraw/zinc/52/16/38/431521638.db2.gz SDJOZHLTXQMEEF-MRXNPFEDSA-N 1 3 316.445 2.669 20 0 DFADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc(OC)c1 ZINC000656785153 431523512 /nfs/dbraw/zinc/52/35/12/431523512.db2.gz JQMDBPQDPWDZKP-QGZVFWFLSA-N 1 3 318.461 2.915 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000656700350 431486319 /nfs/dbraw/zinc/48/63/19/431486319.db2.gz HRHLOXAZFZAGOT-QZTJIDSGSA-N 1 3 308.441 2.534 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000656700350 431486321 /nfs/dbraw/zinc/48/63/21/431486321.db2.gz HRHLOXAZFZAGOT-QZTJIDSGSA-N 1 3 308.441 2.534 20 0 DFADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000660665889 431538539 /nfs/dbraw/zinc/53/85/39/431538539.db2.gz YVRANEMKSALUQC-IBGZPJMESA-N 1 3 310.445 2.790 20 0 DFADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000660665889 431538543 /nfs/dbraw/zinc/53/85/43/431538543.db2.gz YVRANEMKSALUQC-IBGZPJMESA-N 1 3 310.445 2.790 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH+]1CCCCC1)N1CCCCC1 ZINC000354571805 280174015 /nfs/dbraw/zinc/17/40/15/280174015.db2.gz GDWUZSWKNJZURP-ZWKOTPCHSA-N 1 3 323.525 2.735 20 0 DFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)N1CCCCC1 ZINC000354736544 280177882 /nfs/dbraw/zinc/17/78/82/280177882.db2.gz SOHVPCPWOQZONQ-FGTMMUONSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)N1CCCCC1 ZINC000354736544 280177883 /nfs/dbraw/zinc/17/78/83/280177883.db2.gz SOHVPCPWOQZONQ-FGTMMUONSA-N 1 3 323.525 2.734 20 0 DFADHO Cc1c(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cnn1C ZINC000377338417 280226026 /nfs/dbraw/zinc/22/60/26/280226026.db2.gz XKNZMTRHQVLVOH-UYAOXDASSA-N 1 3 324.472 2.682 20 0 DFADHO Cc1c(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cnn1C ZINC000377338417 280226029 /nfs/dbraw/zinc/22/60/29/280226029.db2.gz XKNZMTRHQVLVOH-UYAOXDASSA-N 1 3 324.472 2.682 20 0 DFADHO Cc1c[nH+]ccc1NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000359440802 280281542 /nfs/dbraw/zinc/28/15/42/280281542.db2.gz SDSQQDXSLQZDLZ-FQEVSTJZSA-N 1 3 324.472 2.603 20 0 DFADHO c1cc(CCCN(C2CC2)C2CC[NH2+]CC2)cc2c1OCC2 ZINC000647482625 431601746 /nfs/dbraw/zinc/60/17/46/431601746.db2.gz UTOWCGOYWGQYSE-UHFFFAOYSA-N 1 3 300.446 2.771 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C/C=C/c3ccccc3)C2)C1 ZINC000650706572 431653559 /nfs/dbraw/zinc/65/35/59/431653559.db2.gz NPGSOTCCIONIQN-JBRQLDPCSA-N 1 3 300.446 2.918 20 0 DFADHO COc1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1F ZINC000650706419 431653866 /nfs/dbraw/zinc/65/38/66/431653866.db2.gz JXZFKOHXNWXECM-RLFYNMQTSA-N 1 3 322.424 2.553 20 0 DFADHO Cc1cc(F)ccc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705914 431654636 /nfs/dbraw/zinc/65/46/36/431654636.db2.gz AFCZMQXJBMPISU-CGTJXYLNSA-N 1 3 306.425 2.852 20 0 DFADHO [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccc(OCC(F)F)cc1)C2 ZINC000650709151 431655769 /nfs/dbraw/zinc/65/57/69/431655769.db2.gz GFNKTOMFGVQPDP-YOEHRIQHSA-N 1 3 310.388 2.891 20 0 DFADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC000650709151 431655774 /nfs/dbraw/zinc/65/57/74/431655774.db2.gz GFNKTOMFGVQPDP-YOEHRIQHSA-N 1 3 310.388 2.891 20 0 DFADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC000650709151 431655779 /nfs/dbraw/zinc/65/57/79/431655779.db2.gz GFNKTOMFGVQPDP-YOEHRIQHSA-N 1 3 310.388 2.891 20 0 DFADHO C[C@@H]1CCCN(Cc2cc(-n3ccnc3)cs2)[C@@H]1CC[NH3+] ZINC000650711110 431658045 /nfs/dbraw/zinc/65/80/45/431658045.db2.gz ITZVOTVNMQJBSG-CZUORRHYSA-N 1 3 304.463 2.883 20 0 DFADHO C[C@@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)[C@@H]1CCN ZINC000650711110 431658048 /nfs/dbraw/zinc/65/80/48/431658048.db2.gz ITZVOTVNMQJBSG-CZUORRHYSA-N 1 3 304.463 2.883 20 0 DFADHO C[C@@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)[C@@H]1CCN ZINC000650711110 431658053 /nfs/dbraw/zinc/65/80/53/431658053.db2.gz ITZVOTVNMQJBSG-CZUORRHYSA-N 1 3 304.463 2.883 20 0 DFADHO Cc1ccccc1CN1CCCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000647513945 431610982 /nfs/dbraw/zinc/61/09/82/431610982.db2.gz WMYBFDPYPFCBGE-GOSISDBHSA-N 1 3 301.478 2.502 20 0 DFADHO Cc1cn2c(CNCC[C@@H]3CCC[N@@H+](C)C3)c(C)nc2s1 ZINC000657189391 431622541 /nfs/dbraw/zinc/62/25/41/431622541.db2.gz PPIBCPOAGHPFBL-AWEZNQCLSA-N 1 3 306.479 2.834 20 0 DFADHO Cc1cn2c(CNCC[C@@H]3CCC[N@H+](C)C3)c(C)nc2s1 ZINC000657189391 431622546 /nfs/dbraw/zinc/62/25/46/431622546.db2.gz PPIBCPOAGHPFBL-AWEZNQCLSA-N 1 3 306.479 2.834 20 0 DFADHO Cc1ccc2ncc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543325 431624586 /nfs/dbraw/zinc/62/45/86/431624586.db2.gz LALCVKDDOLLADN-DLBZAZTESA-N 1 3 312.461 2.854 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2nccc3ccccc32)CC1 ZINC000647545180 431625116 /nfs/dbraw/zinc/62/51/16/431625116.db2.gz NOURPKALNWFNGR-MJGOQNOKSA-N 1 3 311.429 2.563 20 0 DFADHO COc1cc(C)nc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542868 431626238 /nfs/dbraw/zinc/62/62/38/431626238.db2.gz DCDPQQBORFXGNT-JKSUJKDBSA-N 1 3 303.450 2.610 20 0 DFADHO FC(F)(F)c1csc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647550475 431628023 /nfs/dbraw/zinc/62/80/23/431628023.db2.gz RUYSCPFSUBBSLH-KXUCPTDWSA-N 1 3 305.369 2.640 20 0 DFADHO Cc1cccc2nc(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cn21 ZINC000647554265 431631156 /nfs/dbraw/zinc/63/11/56/431631156.db2.gz VOTNTKJLOSGXSU-KSZLIROESA-N 1 3 312.461 2.696 20 0 DFADHO COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000657308467 431664664 /nfs/dbraw/zinc/66/46/64/431664664.db2.gz ZRQSEFGLEIGFNT-DOTOQJQBSA-N 1 3 318.461 2.674 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cnn3c2CCC3)C1 ZINC000657312913 431669336 /nfs/dbraw/zinc/66/93/36/431669336.db2.gz MCYZHWSOXVHYKG-HZPDHXFCSA-N 1 3 304.482 2.677 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)NCc1ccc(C[NH3+])cc1F ZINC000650751853 431680861 /nfs/dbraw/zinc/68/08/61/431680861.db2.gz COYWCABOYCOGQI-ZDUSSCGKSA-N 1 3 315.392 2.791 20 0 DFADHO C[NH2+]Cc1ccccc1CN[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000650755723 431682498 /nfs/dbraw/zinc/68/24/98/431682498.db2.gz LHFIIJZGOQWYMN-KRWDZBQOSA-N 1 3 313.449 2.935 20 0 DFADHO Cc1c([C@@H](C)NCCC2CC[NH2+]CC2)nnn1-c1ccccc1 ZINC000650763482 431684283 /nfs/dbraw/zinc/68/42/83/431684283.db2.gz AYKVMLDFZVPIHR-CQSZACIVSA-N 1 3 313.449 2.616 20 0 DFADHO Fc1cc(F)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1F ZINC000647795254 431690117 /nfs/dbraw/zinc/69/01/17/431690117.db2.gz MKSPGVLSNWPRBV-OPRDCNLKSA-N 1 3 302.315 2.721 20 0 DFADHO c1ccc2c(c1)O[C@@H](CCNC1C[C@H]3CC[C@@H](C1)[NH2+]3)CS2 ZINC000647800700 431691391 /nfs/dbraw/zinc/69/13/91/431691391.db2.gz JFVZUCFWCKICKF-IXXDHKBRSA-N 1 3 304.459 2.802 20 0 DFADHO c1ccc([C@H]2C[C@@H]2CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000647801169 431692085 /nfs/dbraw/zinc/69/20/85/431692085.db2.gz QESGSDPEBKQQPJ-FVVUREQNSA-N 1 3 300.446 2.537 20 0 DFADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)Nc1cc(F)cc(F)c1 ZINC000647815147 431696970 /nfs/dbraw/zinc/69/69/70/431696970.db2.gz QZXAXAORHSXPGN-UHFFFAOYSA-N 1 3 323.387 2.510 20 0 DFADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)Nc1cc(F)cc(F)c1 ZINC000647815147 431696975 /nfs/dbraw/zinc/69/69/75/431696975.db2.gz QZXAXAORHSXPGN-UHFFFAOYSA-N 1 3 323.387 2.510 20 0 DFADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)Nc1cc(F)cc(F)c1 ZINC000647815147 431696980 /nfs/dbraw/zinc/69/69/80/431696980.db2.gz QZXAXAORHSXPGN-UHFFFAOYSA-N 1 3 323.387 2.510 20 0 DFADHO C[NH2+]Cc1ccccc1CNCc1ccc(OC)c(OC)c1 ZINC000650718870 431662817 /nfs/dbraw/zinc/66/28/17/431662817.db2.gz ZKFLVYQASBNYAC-UHFFFAOYSA-N 1 3 300.402 2.713 20 0 DFADHO C[C@@H](CC(=O)N1CCCCCC1)NCc1ccc(C[NH3+])cc1F ZINC000650717523 431663316 /nfs/dbraw/zinc/66/33/16/431663316.db2.gz DAGVDMJLSYTDMV-AWEZNQCLSA-N 1 3 321.440 2.555 20 0 DFADHO CCN(CCOCc1ccc(OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000647913345 431726814 /nfs/dbraw/zinc/72/68/14/431726814.db2.gz ZWZYLEKILNSBQV-QGZVFWFLSA-N 1 3 306.450 2.676 20 0 DFADHO CC[C@@H](C)[N@H+](CC)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000661103127 431731706 /nfs/dbraw/zinc/73/17/06/431731706.db2.gz DUENINGGLUCXQU-WBVHZDCISA-N 1 3 305.466 2.526 20 0 DFADHO CC[C@@H](C)[N@@H+](CC)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000661103127 431731710 /nfs/dbraw/zinc/73/17/10/431731710.db2.gz DUENINGGLUCXQU-WBVHZDCISA-N 1 3 305.466 2.526 20 0 DFADHO CCc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000664314424 431733616 /nfs/dbraw/zinc/73/36/16/431733616.db2.gz KMMWLTGKXXDFJR-HNNXBMFYSA-N 1 3 320.481 2.643 20 0 DFADHO CCc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000664314424 431733623 /nfs/dbraw/zinc/73/36/23/431733623.db2.gz KMMWLTGKXXDFJR-HNNXBMFYSA-N 1 3 320.481 2.643 20 0 DFADHO Cn1ncc(C(F)(F)F)c1CNC1CCC(C[NH+](C)C)CC1 ZINC000657414960 431734893 /nfs/dbraw/zinc/73/48/93/431734893.db2.gz XEXMHTPANOMTFL-UHFFFAOYSA-N 1 3 318.387 2.649 20 0 DFADHO CC[N@H+](CCCN(C)C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648035672 431794253 /nfs/dbraw/zinc/79/42/53/431794253.db2.gz LLGYIUBOEZADOZ-UHFFFAOYSA-N 1 3 304.438 2.762 20 0 DFADHO CC[N@@H+](CCCN(C)C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648035672 431794260 /nfs/dbraw/zinc/79/42/60/431794260.db2.gz LLGYIUBOEZADOZ-UHFFFAOYSA-N 1 3 304.438 2.762 20 0 DFADHO COCC1([NH2+]Cc2ccc(OCCN(C)C)cc2)CCCC1 ZINC000657546820 431805552 /nfs/dbraw/zinc/80/55/52/431805552.db2.gz FWBBUDNGHJRFCN-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000657573680 431814820 /nfs/dbraw/zinc/81/48/20/431814820.db2.gz OMAYQHDSEDUCGJ-YQQAZPJKSA-N 1 3 307.482 2.765 20 0 DFADHO CCCN(C[C@H]1CC[NH2+]C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000647991220 431767706 /nfs/dbraw/zinc/76/77/06/431767706.db2.gz MEHNBGWUHQMALR-HOTGVXAUSA-N 1 3 303.450 2.725 20 0 DFADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cccs3)cc2)C1 ZINC000657596387 431821585 /nfs/dbraw/zinc/82/15/85/431821585.db2.gz VWUYROUTXXMJGM-INIZCTEOSA-N 1 3 302.443 2.605 20 0 DFADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cccs3)cc2)C1 ZINC000657596387 431821588 /nfs/dbraw/zinc/82/15/88/431821588.db2.gz VWUYROUTXXMJGM-INIZCTEOSA-N 1 3 302.443 2.605 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)C1 ZINC000657596091 431821896 /nfs/dbraw/zinc/82/18/96/431821896.db2.gz LFEXEGPVKKRVGP-KRWDZBQOSA-N 1 3 324.415 2.921 20 0 DFADHO Cc1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000657595410 431822191 /nfs/dbraw/zinc/82/21/91/431822191.db2.gz IEENLUIGMGMOFV-GOSISDBHSA-N 1 3 316.470 2.913 20 0 DFADHO Cc1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000657595410 431822197 /nfs/dbraw/zinc/82/21/97/431822197.db2.gz IEENLUIGMGMOFV-GOSISDBHSA-N 1 3 316.470 2.913 20 0 DFADHO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)O1 ZINC000657662621 431833765 /nfs/dbraw/zinc/83/37/65/431833765.db2.gz DKHBPRKISPJWCG-CRAIPNDOSA-N 1 3 306.450 2.674 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000299272640 282010842 /nfs/dbraw/zinc/01/08/42/282010842.db2.gz UXDQVNFLNYBQHF-HOCLYGCPSA-N 1 3 305.466 2.572 20 0 DFADHO C[NH+](C)[C@@H](CNC(=O)CN1CCC(C)(C)CC1)c1ccccc1 ZINC000354803829 289277274 /nfs/dbraw/zinc/27/72/74/289277274.db2.gz FUZYXHYUDSGCKF-KRWDZBQOSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@H](c1ccccc1)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367117330 290252220 /nfs/dbraw/zinc/25/22/20/290252220.db2.gz NZDDJPBTGHXGFK-VQIMIIECSA-N 1 3 301.478 2.848 20 0 DFADHO C[C@H](c1ccccc1)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367117330 290252222 /nfs/dbraw/zinc/25/22/22/290252222.db2.gz NZDDJPBTGHXGFK-VQIMIIECSA-N 1 3 301.478 2.848 20 0 DFADHO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000360289785 290336372 /nfs/dbraw/zinc/33/63/72/290336372.db2.gz BIUAPEINPNNIIB-YOEHRIQHSA-N 1 3 321.509 2.534 20 0 DFADHO CCc1ccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000154348977 295297885 /nfs/dbraw/zinc/29/78/85/295297885.db2.gz BTLDLMGHIFGPDJ-QGZVFWFLSA-N 1 3 303.494 2.927 20 0 DFADHO CCOc1ccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000154435807 295300473 /nfs/dbraw/zinc/30/04/73/295300473.db2.gz QJACZRGKSFJTGW-QGZVFWFLSA-N 1 3 319.493 2.764 20 0 DFADHO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000156754538 295340475 /nfs/dbraw/zinc/34/04/75/295340475.db2.gz QASRKOZOKKCXEU-KRWDZBQOSA-N 1 3 321.509 2.630 20 0 DFADHO CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000156754538 295340477 /nfs/dbraw/zinc/34/04/77/295340477.db2.gz QASRKOZOKKCXEU-KRWDZBQOSA-N 1 3 321.509 2.630 20 0 DFADHO c1cc(-c2ccc(CN3CCC(C[NH+]4CCCC4)CC3)o2)n[nH]1 ZINC000363770724 295442268 /nfs/dbraw/zinc/44/22/68/295442268.db2.gz WHCSDNULXDWZLB-UHFFFAOYSA-N 1 3 314.433 2.978 20 0 DFADHO CC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1 ZINC000370623966 295461360 /nfs/dbraw/zinc/46/13/60/295461360.db2.gz DZPZLVOEBXHHIR-HKUYNNGSSA-N 1 3 301.478 2.896 20 0 DFADHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CC1 ZINC000397498125 295487856 /nfs/dbraw/zinc/48/78/56/295487856.db2.gz SHLHPEBGTDLMEL-SFHVURJKSA-N 1 3 302.462 2.792 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412560103 295634097 /nfs/dbraw/zinc/63/40/97/295634097.db2.gz PBNHEPIPAKTJRJ-MRXNPFEDSA-N 1 3 309.429 2.993 20 0 DFADHO c1ccc(CCN2CC[C@@H](C[NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000438218151 297085079 /nfs/dbraw/zinc/08/50/79/297085079.db2.gz XWWOCRHVKHWNAE-MOPGFXCFSA-N 1 3 302.462 2.567 20 0 DFADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000439829236 297139360 /nfs/dbraw/zinc/13/93/60/297139360.db2.gz GAEBQTDSYVQTDI-MAUKXSAKSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000439829236 297139361 /nfs/dbraw/zinc/13/93/61/297139361.db2.gz GAEBQTDSYVQTDI-MAUKXSAKSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000439829230 297139440 /nfs/dbraw/zinc/13/94/40/297139440.db2.gz GAEBQTDSYVQTDI-CRAIPNDOSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000439829230 297139441 /nfs/dbraw/zinc/13/94/41/297139441.db2.gz GAEBQTDSYVQTDI-CRAIPNDOSA-N 1 3 319.493 2.527 20 0 DFADHO C[N@H+](CCNC(=O)[C@H]1CCCN1C1CCCC1)C1CCCCC1 ZINC000440116451 297144686 /nfs/dbraw/zinc/14/46/86/297144686.db2.gz FCNXOIDZVGIVCI-GOSISDBHSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@@H+](CCNC(=O)[C@H]1CCCN1C1CCCC1)C1CCCCC1 ZINC000440116451 297144687 /nfs/dbraw/zinc/14/46/87/297144687.db2.gz FCNXOIDZVGIVCI-GOSISDBHSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C(C)(C)c1ccccc1 ZINC000442878477 297209287 /nfs/dbraw/zinc/20/92/87/297209287.db2.gz YZQBPUHZJQGMBF-QGZVFWFLSA-N 1 3 317.521 2.968 20 0 DFADHO C[C@H](CCCC(F)(F)F)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442877484 297209356 /nfs/dbraw/zinc/20/93/56/297209356.db2.gz URLQZPSBLREVIE-CYBMUJFWSA-N 1 3 309.420 2.723 20 0 DFADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442887949 297209783 /nfs/dbraw/zinc/20/97/83/297209783.db2.gz CFPSREDOGRWDSV-RDTXWAMCSA-N 1 3 319.468 2.675 20 0 DFADHO COc1cc2c(c(CN3CCC[C@H](CC[NH3+])C3)c1)O[C@@H](C)C2 ZINC000442922969 297211024 /nfs/dbraw/zinc/21/10/24/297211024.db2.gz LRTNAJXYKYWLPG-UONOGXRCSA-N 1 3 304.434 2.579 20 0 DFADHO [NH3+]CC[C@H]1CCCN(Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000443055733 297213602 /nfs/dbraw/zinc/21/36/02/297213602.db2.gz BMOYRRYDZMLSNZ-MRXNPFEDSA-N 1 3 324.472 2.922 20 0 DFADHO Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443057048 297213822 /nfs/dbraw/zinc/21/38/22/297213822.db2.gz FDXRERKLRGHBGF-CVEARBPZSA-N 1 3 303.450 2.691 20 0 DFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000443059890 297213928 /nfs/dbraw/zinc/21/39/28/297213928.db2.gz NSKOZGIEXGMHPF-ULQDDVLXSA-N 1 3 317.477 2.622 20 0 DFADHO Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000443062691 297214253 /nfs/dbraw/zinc/21/42/53/297214253.db2.gz UZXKYCUBZUIFBG-SJORKVTESA-N 1 3 317.477 3.000 20 0 DFADHO Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)c(C)c1 ZINC000443062688 297214280 /nfs/dbraw/zinc/21/42/80/297214280.db2.gz UZXKYCUBZUIFBG-DLBZAZTESA-N 1 3 317.477 3.000 20 0 DFADHO C[C@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443063427 297214523 /nfs/dbraw/zinc/21/45/23/297214523.db2.gz WOWROYZZXFWDGU-KBPBESRZSA-N 1 3 323.868 2.578 20 0 DFADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@H](CC[NH3+])C1 ZINC000443066088 297214925 /nfs/dbraw/zinc/21/49/25/297214925.db2.gz DIXKBSLIFNHMIG-ZIAGYGMSSA-N 1 3 300.406 2.858 20 0 DFADHO CC(C)c1ccc(CC[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000443070105 297214938 /nfs/dbraw/zinc/21/49/38/297214938.db2.gz OBLIYKKAMIJCST-UHFFFAOYSA-N 1 3 317.521 2.968 20 0 DFADHO CCc1ccccc1CCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000444663869 297243768 /nfs/dbraw/zinc/24/37/68/297243768.db2.gz PNVBHWKLGOEJHE-UHFFFAOYSA-N 1 3 317.521 2.749 20 0 DFADHO CCc1ccccc1CCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000444663869 297243770 /nfs/dbraw/zinc/24/37/70/297243770.db2.gz PNVBHWKLGOEJHE-UHFFFAOYSA-N 1 3 317.521 2.749 20 0 DFADHO CC[N@H+](CC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCCC[C@@H]1C ZINC000444670164 297244297 /nfs/dbraw/zinc/24/42/97/297244297.db2.gz FIIUEDKABDVIHX-YJBOKZPZSA-N 1 3 321.509 2.630 20 0 DFADHO CC[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCCC[C@@H]1C ZINC000444670164 297244299 /nfs/dbraw/zinc/24/42/99/297244299.db2.gz FIIUEDKABDVIHX-YJBOKZPZSA-N 1 3 321.509 2.630 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000447541604 297307723 /nfs/dbraw/zinc/30/77/23/297307723.db2.gz MOKFWKQCXJRIFX-INIZCTEOSA-N 1 3 307.482 2.965 20 0 DFADHO C[C@H](CCc1ccc(Cl)s1)[NH2+]CCOCCN(C)C ZINC000447602040 297310262 /nfs/dbraw/zinc/31/02/62/297310262.db2.gz SETIHMKKECBCPV-GFCCVEGCSA-N 1 3 304.887 2.890 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(C)c(OC)c2)C1 ZINC000447727918 297314865 /nfs/dbraw/zinc/31/48/65/297314865.db2.gz CULXKNXDQYOUKU-GOSISDBHSA-N 1 3 320.477 2.936 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCCO2)CC1 ZINC000449064006 297399340 /nfs/dbraw/zinc/39/93/40/297399340.db2.gz OFOBPPJUQFTNSU-LPHOPBHVSA-N 1 3 302.462 2.851 20 0 DFADHO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C12CCC2 ZINC000453068779 298059138 /nfs/dbraw/zinc/05/91/38/298059138.db2.gz SRMFMNVXAHCEHI-MSOLQXFVSA-N 1 3 318.461 2.674 20 0 DFADHO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000453073585 298059748 /nfs/dbraw/zinc/05/97/48/298059748.db2.gz FMDKDUGCNWMIDK-SFHVURJKSA-N 1 3 300.450 2.759 20 0 DFADHO COC1([C@@H](C)NCCC[NH+](C(C)C)C(C)C)CCOCC1 ZINC000453115524 298063260 /nfs/dbraw/zinc/06/32/60/298063260.db2.gz IDFYHGJZUYXQHE-MRXNPFEDSA-N 1 3 300.487 2.669 20 0 DFADHO CC[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000453175122 298068560 /nfs/dbraw/zinc/06/85/60/298068560.db2.gz LGYFJCOINIARSH-KRWDZBQOSA-N 1 3 314.433 2.658 20 0 DFADHO C[N@@H+]1CC[C@@](O)(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453192364 298070204 /nfs/dbraw/zinc/07/02/04/298070204.db2.gz GKZCHOFCBZVUBS-IAGOWNOFSA-N 1 3 308.853 2.837 20 0 DFADHO C[N@H+]1CC[C@@](O)(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453192364 298070206 /nfs/dbraw/zinc/07/02/06/298070206.db2.gz GKZCHOFCBZVUBS-IAGOWNOFSA-N 1 3 308.853 2.837 20 0 DFADHO O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000453625930 298106532 /nfs/dbraw/zinc/10/65/32/298106532.db2.gz FPXBIJQOPIUBCJ-OBKDMQGPSA-N 1 3 314.473 2.648 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000497089567 300159635 /nfs/dbraw/zinc/15/96/35/300159635.db2.gz NHKWEUNPRPXYBN-VXGQWTEUSA-N 1 3 311.470 2.505 20 0 DFADHO C[NH+](C)[C@@H]1CCC[C@H](NC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000497089567 300159636 /nfs/dbraw/zinc/15/96/36/300159636.db2.gz NHKWEUNPRPXYBN-VXGQWTEUSA-N 1 3 311.470 2.505 20 0 DFADHO CN1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000514614767 300262510 /nfs/dbraw/zinc/26/25/10/300262510.db2.gz JULHCAFRHFQNAS-OMNBBPDLSA-N 1 3 309.404 2.570 20 0 DFADHO C[C@@H](NCCc1nc2ccccc2n1C(F)F)[C@@H]1CCC[NH2+]C1 ZINC000514667612 300265343 /nfs/dbraw/zinc/26/53/43/300265343.db2.gz AITUUPRQHRTBNH-CHWSQXEVSA-N 1 3 322.403 2.952 20 0 DFADHO [NH3+][C@@H](CCC(=O)N1CC[C@H](N2CCCC2)C1)CC1CCCCC1 ZINC000515057245 300287918 /nfs/dbraw/zinc/28/79/18/300287918.db2.gz WOEFIRUGHSXBJY-ROUUACIJSA-N 1 3 321.509 2.761 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCOCC(F)(F)F ZINC000515232708 300296587 /nfs/dbraw/zinc/29/65/87/300296587.db2.gz FXWXZBZBXSVNOG-GXTWGEPZSA-N 1 3 304.356 2.504 20 0 DFADHO C[C@@H](C[NH2+]C[C@H](O)Cc1cccc(Cl)c1)CN1CCCCC1 ZINC000516275110 300337902 /nfs/dbraw/zinc/33/79/02/300337902.db2.gz GYPGXYDXNRDSME-MAUKXSAKSA-N 1 3 324.896 2.955 20 0 DFADHO C[C@H](C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)CN1CCCCC1 ZINC000516275111 300337943 /nfs/dbraw/zinc/33/79/43/300337943.db2.gz GYPGXYDXNRDSME-QAPCUYQASA-N 1 3 324.896 2.955 20 0 DFADHO C[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])c1nc(-c2ccccc2)no1 ZINC000516450508 300342679 /nfs/dbraw/zinc/34/26/79/300342679.db2.gz XOOTWIKPMADSRQ-YUELXQCFSA-N 1 3 300.406 2.557 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)c1nc(-c2ccccc2)no1 ZINC000516450508 300342682 /nfs/dbraw/zinc/34/26/82/300342682.db2.gz XOOTWIKPMADSRQ-YUELXQCFSA-N 1 3 300.406 2.557 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C3CCCC3)CC2)CC1 ZINC000516661455 300354805 /nfs/dbraw/zinc/35/48/05/300354805.db2.gz PJTABPNDMUJSMR-UHFFFAOYSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)no1 ZINC000516861497 300364191 /nfs/dbraw/zinc/36/41/91/300364191.db2.gz QHWKOUNODQQUCN-YCPHGPKFSA-N 1 3 314.433 2.818 20 0 DFADHO OC1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000517553751 300399197 /nfs/dbraw/zinc/39/91/97/300399197.db2.gz RLCSSWNNMVAFNW-APWZRJJASA-N 1 3 316.445 2.527 20 0 DFADHO CO[C@@H](CN1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000530218383 301030411 /nfs/dbraw/zinc/03/04/11/301030411.db2.gz FSUCFHGFFXTSDK-WMZOPIPTSA-N 1 3 306.425 2.835 20 0 DFADHO CCC(F)(F)C(C)(C)CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000530219514 301031052 /nfs/dbraw/zinc/03/10/52/301031052.db2.gz QAWBHZLFQHEFMM-BFHYXJOUSA-N 1 3 304.425 2.805 20 0 DFADHO C[C@H]1CCN(CC[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000531729117 301106381 /nfs/dbraw/zinc/10/63/81/301106381.db2.gz ZHSFCDCZWFZVCN-SFHVURJKSA-N 1 3 315.505 2.625 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531728387 301106567 /nfs/dbraw/zinc/10/65/67/301106567.db2.gz FUBMZUFXJFGNQG-HOTGVXAUSA-N 1 3 317.477 2.898 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)NCC[N@H+]1CC[C@H](C)C1 ZINC000531728387 301106570 /nfs/dbraw/zinc/10/65/70/301106570.db2.gz FUBMZUFXJFGNQG-HOTGVXAUSA-N 1 3 317.477 2.898 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@H]1CCCCC1(C)C ZINC000532790657 301172007 /nfs/dbraw/zinc/17/20/07/301172007.db2.gz VMZRHRKOQLWBOD-MRXNPFEDSA-N 1 3 311.514 2.545 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000534315753 301227692 /nfs/dbraw/zinc/22/76/92/301227692.db2.gz VEQNCOBPPAHTKY-HZPDHXFCSA-N 1 3 310.482 2.915 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000534315753 301227693 /nfs/dbraw/zinc/22/76/93/301227693.db2.gz VEQNCOBPPAHTKY-HZPDHXFCSA-N 1 3 310.482 2.915 20 0 DFADHO Cc1[nH]nc2ncc(CN3CCC(C[N@@H+](C)C(C)C)CC3)cc12 ZINC000535815219 301262666 /nfs/dbraw/zinc/26/26/66/301262666.db2.gz HHBLEDBDKHKBIJ-UHFFFAOYSA-N 1 3 315.465 2.819 20 0 DFADHO Cc1[nH]nc2ncc(CN3CCC(C[N@H+](C)C(C)C)CC3)cc12 ZINC000535815219 301262668 /nfs/dbraw/zinc/26/26/68/301262668.db2.gz HHBLEDBDKHKBIJ-UHFFFAOYSA-N 1 3 315.465 2.819 20 0 DFADHO Cc1nn(-c2ccncc2)cc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000541536845 301388882 /nfs/dbraw/zinc/38/88/82/301388882.db2.gz RBSGREKAERIPKJ-UHFFFAOYSA-N 1 3 322.416 2.678 20 0 DFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000549041313 301627733 /nfs/dbraw/zinc/62/77/33/301627733.db2.gz UBIIQZXPIINDDF-QXAKKESOSA-N 1 3 302.462 2.948 20 0 DFADHO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc(OCCN(C)C)c1 ZINC000560908064 301918087 /nfs/dbraw/zinc/91/80/87/301918087.db2.gz IPBJGPSJTRKDBD-DJIMGWMZSA-N 1 3 306.450 2.581 20 0 DFADHO c1cc(N2CCC(C[NH2+]Cc3ccc4c(n3)CCC4)CC2)ccn1 ZINC000563111458 302038590 /nfs/dbraw/zinc/03/85/90/302038590.db2.gz HMEUXDYVJSLQRG-UHFFFAOYSA-N 1 3 322.456 2.972 20 0 DFADHO CCN1CCN(c2ccc(N[C@H]3CCC[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000563425025 302071544 /nfs/dbraw/zinc/07/15/44/302071544.db2.gz ODYXVDSKGFRIBH-IRXDYDNUSA-N 1 3 316.493 2.819 20 0 DFADHO CCc1ccccc1[C@@H](N)CNC1CC[NH+](CC2CC2)CC1 ZINC000563446005 302073613 /nfs/dbraw/zinc/07/36/13/302073613.db2.gz ARXMHSPAWFULMP-IBGZPJMESA-N 1 3 301.478 2.713 20 0 DFADHO C[C@@H](NCCc1nc(-c2ccccn2)cs1)[C@@H]1CCC[NH2+]C1 ZINC000563446118 302073656 /nfs/dbraw/zinc/07/36/56/302073656.db2.gz WBHNJSKKDCOLEK-ZIAGYGMSSA-N 1 3 316.474 2.725 20 0 DFADHO C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)[C@@H]1CCCNC1 ZINC000563446118 302073658 /nfs/dbraw/zinc/07/36/58/302073658.db2.gz WBHNJSKKDCOLEK-ZIAGYGMSSA-N 1 3 316.474 2.725 20 0 DFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000563571522 302083458 /nfs/dbraw/zinc/08/34/58/302083458.db2.gz BSZQWQNIBFBCIU-YESZJQIVSA-N 1 3 321.534 2.857 20 0 DFADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000564714024 302152685 /nfs/dbraw/zinc/15/26/85/302152685.db2.gz RRXRVYBJXYNWJB-JZXOWHBKSA-N 1 3 316.493 2.585 20 0 DFADHO C[C@H](NCCN1CCc2c(Cl)cccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000564826094 302161514 /nfs/dbraw/zinc/16/15/14/302161514.db2.gz AZNIDCAQGFTLLG-LSDHHAIUSA-N 1 3 321.896 2.676 20 0 DFADHO c1cc(OCCN2CCCCC2)ccc1OCC[C@@H]1CC[NH2+]C1 ZINC000564840914 302163034 /nfs/dbraw/zinc/16/30/34/302163034.db2.gz YLQBVJYQEQOYMM-KRWDZBQOSA-N 1 3 318.461 2.930 20 0 DFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000564846887 302163409 /nfs/dbraw/zinc/16/34/09/302163409.db2.gz UUOSPROQJAUFQH-OALUTQOASA-N 1 3 304.478 2.690 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)CCc2ccccc2)C1 ZINC000564846887 302163413 /nfs/dbraw/zinc/16/34/13/302163413.db2.gz UUOSPROQJAUFQH-OALUTQOASA-N 1 3 304.478 2.690 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)CCc2ccccc2)C1 ZINC000564846887 302163416 /nfs/dbraw/zinc/16/34/16/302163416.db2.gz UUOSPROQJAUFQH-OALUTQOASA-N 1 3 304.478 2.690 20 0 DFADHO CC(C)C[N@@H+]1CC[C@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC000564847817 302163549 /nfs/dbraw/zinc/16/35/49/302163549.db2.gz BXOHLHVRVWSYJT-OAHLLOKOSA-N 1 3 321.440 2.722 20 0 DFADHO CC(C)C[N@H+]1CC[C@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC000564847817 302163550 /nfs/dbraw/zinc/16/35/50/302163550.db2.gz BXOHLHVRVWSYJT-OAHLLOKOSA-N 1 3 321.440 2.722 20 0 DFADHO CC(C)[NH+](CCCNC(=O)[C@@H](C)[C@H](N)c1ccccc1)C(C)C ZINC000564924699 302173980 /nfs/dbraw/zinc/17/39/80/302173980.db2.gz NYINMWYERLXTHC-WMZOPIPTSA-N 1 3 319.493 2.948 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000565299137 302216379 /nfs/dbraw/zinc/21/63/79/302216379.db2.gz HATMCVSZFMXENL-AWEZNQCLSA-N 1 3 319.424 2.703 20 0 DFADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)N(C)C)cc1 ZINC000566011857 302253326 /nfs/dbraw/zinc/25/33/26/302253326.db2.gz IIHPFVDHQWAFDK-ZWKOTPCHSA-N 1 3 317.477 2.500 20 0 DFADHO CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000566014772 302253635 /nfs/dbraw/zinc/25/36/35/302253635.db2.gz SCLGMHCHAKTLFY-UHFFFAOYSA-N 1 3 310.397 2.693 20 0 DFADHO Cc1cc(C)n(-c2ccccc2CN[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000566056383 302256049 /nfs/dbraw/zinc/25/60/49/302256049.db2.gz XYNFBWZNALXXSI-DLBZAZTESA-N 1 3 312.461 2.967 20 0 DFADHO C[C@@H](C[NH2+]C[C@H](O)CCc1ccccc1)CN1CCCCC1 ZINC000566106372 302259794 /nfs/dbraw/zinc/25/97/94/302259794.db2.gz NSZAWUCLZNBWQE-PKOBYXMFSA-N 1 3 304.478 2.692 20 0 DFADHO C[C@@H](CNC[C@H](O)CCc1ccccc1)C[NH+]1CCCCC1 ZINC000566106372 302259796 /nfs/dbraw/zinc/25/97/96/302259796.db2.gz NSZAWUCLZNBWQE-PKOBYXMFSA-N 1 3 304.478 2.692 20 0 DFADHO CC(C)N1CCCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000566200882 302267444 /nfs/dbraw/zinc/26/74/44/302267444.db2.gz IMOFJFXGLDBUGZ-YOEHRIQHSA-N 1 3 303.450 2.585 20 0 DFADHO CCc1cccc(CNCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000566918537 302322914 /nfs/dbraw/zinc/32/29/14/302322914.db2.gz MWCLIBPTFVPCCS-UHFFFAOYSA-N 1 3 313.445 2.874 20 0 DFADHO CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)CN1CCCC1)CCC2 ZINC000567269539 302346532 /nfs/dbraw/zinc/34/65/32/302346532.db2.gz KOSWDBPWTSHMTL-CRAIPNDOSA-N 1 3 320.502 2.832 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000567280652 302347401 /nfs/dbraw/zinc/34/74/01/302347401.db2.gz MWULUDWDAXLJKQ-LJQANCHMSA-N 1 3 316.493 2.551 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccc(COC3CCOCC3)c2)C1 ZINC000567915076 302398390 /nfs/dbraw/zinc/39/83/90/302398390.db2.gz GFZZWIQCDQGYKB-QZTJIDSGSA-N 1 3 318.461 2.742 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000573776926 302722427 /nfs/dbraw/zinc/72/24/27/302722427.db2.gz CQMFDTDVFNVAPY-HOTGVXAUSA-N 1 3 313.555 2.524 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CCCNC1 ZINC000574307560 302752183 /nfs/dbraw/zinc/75/21/83/302752183.db2.gz ISQNBPNVJHMJMG-HRCADAONSA-N 1 3 305.441 2.630 20 0 DFADHO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000321067982 316255977 /nfs/dbraw/zinc/25/59/77/316255977.db2.gz BZXCFMJAFLVPAQ-GOSISDBHSA-N 1 3 309.413 2.574 20 0 DFADHO C[NH+](C)CCOC1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000353523974 316532677 /nfs/dbraw/zinc/53/26/77/316532677.db2.gz YWVVZWJBJRFCRC-ARJAWSKDSA-N 1 3 306.425 2.882 20 0 DFADHO CO[C@@](C)([C@H](C)[NH2+]C1CCN(c2ccncc2)CC1)C1CC1 ZINC000414498667 316611187 /nfs/dbraw/zinc/61/11/87/316611187.db2.gz INBARJHBXKTIHM-KSSFIOAISA-N 1 3 303.450 2.844 20 0 DFADHO COc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000414785901 316655862 /nfs/dbraw/zinc/65/58/62/316655862.db2.gz ABUXOHOHNLGDKB-WCQYABFASA-N 1 3 313.239 2.675 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(OCc2ccccn2)cc1 ZINC000414792578 316659322 /nfs/dbraw/zinc/65/93/22/316659322.db2.gz CJHRXBVRLDMIEV-VQIMIIECSA-N 1 3 311.429 2.878 20 0 DFADHO CCOc1cc(CN[C@@H]2CCC[C@H]2C[NH3+])cc(Cl)c1OC ZINC000414801796 316663354 /nfs/dbraw/zinc/66/33/54/316663354.db2.gz UVKGALCMBWHYGJ-GXTWGEPZSA-N 1 3 312.841 2.964 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414811045 316664869 /nfs/dbraw/zinc/66/48/69/316664869.db2.gz VZFUKIZCTARTSI-FVQBIDKESA-N 1 3 304.434 2.844 20 0 DFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426404168 316816525 /nfs/dbraw/zinc/81/65/25/316816525.db2.gz HMEWRFUHZMULLN-IAGOWNOFSA-N 1 3 323.525 2.878 20 0 DFADHO COC[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C1CCCC1 ZINC000446740824 317021342 /nfs/dbraw/zinc/02/13/42/317021342.db2.gz HSKIRWYFYHKDEK-LJQANCHMSA-N 1 3 320.477 2.922 20 0 DFADHO Cn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453104353 317163036 /nfs/dbraw/zinc/16/30/36/317163036.db2.gz ZHQIZBORIDMNON-ZCNNSNEGSA-N 1 3 324.472 2.953 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccncc1 ZINC000453106439 317163489 /nfs/dbraw/zinc/16/34/89/317163489.db2.gz DKMPIQNVPFEWIV-MAUKXSAKSA-N 1 3 303.450 2.623 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453200010 317167957 /nfs/dbraw/zinc/16/79/57/317167957.db2.gz UDHFERSWYVFDIH-UXHICEINSA-N 1 3 314.473 2.922 20 0 DFADHO C[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000453386858 317181922 /nfs/dbraw/zinc/18/19/22/317181922.db2.gz WBQJWUTVLTZAHL-WMLDXEAASA-N 1 3 306.450 2.703 20 0 DFADHO CCC1(C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)COC1 ZINC000453385645 317182484 /nfs/dbraw/zinc/18/24/84/317182484.db2.gz UZEXQTDSQIIELC-HNNXBMFYSA-N 1 3 306.450 2.704 20 0 DFADHO Cc1cnc(CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000453394841 317182843 /nfs/dbraw/zinc/18/28/43/317182843.db2.gz HJGVBZYSJOJSLH-PKOBYXMFSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cnc(CCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000453394841 317182847 /nfs/dbraw/zinc/18/28/47/317182847.db2.gz HJGVBZYSJOJSLH-PKOBYXMFSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1cnc(CCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000453394841 317182851 /nfs/dbraw/zinc/18/28/51/317182851.db2.gz HJGVBZYSJOJSLH-PKOBYXMFSA-N 1 3 324.472 2.828 20 0 DFADHO CCCC[N@H+](C)CC1CCN(CCn2cc(Cl)cn2)CC1 ZINC000459300686 317314790 /nfs/dbraw/zinc/31/47/90/317314790.db2.gz KPSQVPBBCYUBLB-UHFFFAOYSA-N 1 3 312.889 2.980 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(CCn2cc(Cl)cn2)CC1 ZINC000459300686 317314794 /nfs/dbraw/zinc/31/47/94/317314794.db2.gz KPSQVPBBCYUBLB-UHFFFAOYSA-N 1 3 312.889 2.980 20 0 DFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000488420573 317391793 /nfs/dbraw/zinc/39/17/93/317391793.db2.gz WQMITKBMFNWGPN-VQIMIIECSA-N 1 3 301.478 2.570 20 0 DFADHO c1cc2c(cccc2N2CCN(CCC3CC[NH2+]CC3)CC2)[nH]1 ZINC000530231511 317777630 /nfs/dbraw/zinc/77/76/30/317777630.db2.gz IKTCVYRHKLZAQC-UHFFFAOYSA-N 1 3 312.461 2.680 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC000572066961 318000106 /nfs/dbraw/zinc/00/01/06/318000106.db2.gz JJWRWQQOEVOYQB-IRXDYDNUSA-N 1 3 323.525 2.593 20 0 DFADHO CC(C)C[N@@H+]1CC[C@H](CNCCC(=O)Nc2ccccc2)C1 ZINC000572751415 318002350 /nfs/dbraw/zinc/00/23/50/318002350.db2.gz HFUZMACKYZROSV-MRXNPFEDSA-N 1 3 303.450 2.583 20 0 DFADHO CC(C)C[N@H+]1CC[C@H](CNCCC(=O)Nc2ccccc2)C1 ZINC000572751415 318002353 /nfs/dbraw/zinc/00/23/53/318002353.db2.gz HFUZMACKYZROSV-MRXNPFEDSA-N 1 3 303.450 2.583 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1CN(C)C ZINC000572973745 318009856 /nfs/dbraw/zinc/00/98/56/318009856.db2.gz AMHFMXJUYUJJFA-HNNXBMFYSA-N 1 3 303.450 2.951 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1CN(C)C ZINC000572973745 318009859 /nfs/dbraw/zinc/00/98/59/318009859.db2.gz AMHFMXJUYUJJFA-HNNXBMFYSA-N 1 3 303.450 2.951 20 0 DFADHO CCCN(CCN1CCCCCC1)C(=O)CCCC[NH+](C)C ZINC000574733293 318036721 /nfs/dbraw/zinc/03/67/21/318036721.db2.gz YJFOXDVUYFNDBC-UHFFFAOYSA-N 1 3 311.514 2.833 20 0 DFADHO C[C@@H](CC[NH+](C)C)NC[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000575917061 318091554 /nfs/dbraw/zinc/09/15/54/318091554.db2.gz HHZHFYHAUWJXQS-SWLSCSKDSA-N 1 3 318.383 2.539 20 0 DFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000575984661 318096022 /nfs/dbraw/zinc/09/60/22/318096022.db2.gz BRLASLJXOJMYOF-WBVHZDCISA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000575984661 318096023 /nfs/dbraw/zinc/09/60/23/318096023.db2.gz BRLASLJXOJMYOF-WBVHZDCISA-N 1 3 317.477 2.559 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@@H]2COc3cc(F)ccc3C2)[C@@H]2CCC[C@H]21 ZINC000577530544 318200038 /nfs/dbraw/zinc/20/00/38/318200038.db2.gz KCGHGYAVLQRCMF-LUKYLMHMSA-N 1 3 304.409 2.592 20 0 DFADHO C[N@H+]1CC[C@H](N[C@@H]2COc3cc(F)ccc3C2)[C@@H]2CCC[C@H]21 ZINC000577530544 318200041 /nfs/dbraw/zinc/20/00/41/318200041.db2.gz KCGHGYAVLQRCMF-LUKYLMHMSA-N 1 3 304.409 2.592 20 0 DFADHO CC1(C)[C@H](O)C[C@H]1NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000577961383 318229478 /nfs/dbraw/zinc/22/94/78/318229478.db2.gz QQLVARKVAVVQAZ-QZTJIDSGSA-N 1 3 302.462 2.922 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)c(C)c1 ZINC000578045054 318234521 /nfs/dbraw/zinc/23/45/21/318234521.db2.gz PRGXUSKMJQFPRR-QGZVFWFLSA-N 1 3 319.493 2.682 20 0 DFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)[N@@H+]1CCCC[C@H]1C ZINC000578728039 318280815 /nfs/dbraw/zinc/28/08/15/318280815.db2.gz WSTVETUAIOCIJS-ZIAGYGMSSA-N 1 3 316.449 2.674 20 0 DFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)[N@H+]1CCCC[C@H]1C ZINC000578728039 318280817 /nfs/dbraw/zinc/28/08/17/318280817.db2.gz WSTVETUAIOCIJS-ZIAGYGMSSA-N 1 3 316.449 2.674 20 0 DFADHO C[C@@H]1C[C@@H](NC[C@H](O)Cc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000578998267 318300741 /nfs/dbraw/zinc/30/07/41/318300741.db2.gz QHENVBZZMZUVOG-UIAACRFSSA-N 1 3 312.457 2.816 20 0 DFADHO C[C@@H]1C[C@@H](NC[C@H](O)Cc2ccc3ccccc3c2)CC[N@H+]1C ZINC000578998267 318300742 /nfs/dbraw/zinc/30/07/42/318300742.db2.gz QHENVBZZMZUVOG-UIAACRFSSA-N 1 3 312.457 2.816 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000579258652 318319031 /nfs/dbraw/zinc/31/90/31/318319031.db2.gz VFVGKIRFKWFAGQ-KFWWJZLASA-N 1 3 323.868 2.787 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000579495326 318335658 /nfs/dbraw/zinc/33/56/58/318335658.db2.gz WUVDITORCCXUQB-HOCLYGCPSA-N 1 3 313.401 2.891 20 0 DFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@@H](c1ccccc1)c1ccncn1 ZINC000579825558 318356892 /nfs/dbraw/zinc/35/68/92/318356892.db2.gz NSVOBBXVDGSAAO-QIUZIFDCSA-N 1 3 308.429 2.672 20 0 DFADHO c1ccc(CN2CC[C@@H]([NH2+]CCCN3CCC3)CC23CC3)cc1 ZINC000579852126 318358894 /nfs/dbraw/zinc/35/88/94/318358894.db2.gz CAWAPMNPWLGPEB-LJQANCHMSA-N 1 3 313.489 2.869 20 0 DFADHO C[C@@H]1C[N@@H+](C2CCN(Cc3ccccc3)CC2)C[C@@]1(C)CN ZINC000380934363 323292606 /nfs/dbraw/zinc/29/26/06/323292606.db2.gz ILOLHCKISKIWOR-VQIMIIECSA-N 1 3 301.478 2.568 20 0 DFADHO C[C@@H]1C[N@H+](C2CCN(Cc3ccccc3)CC2)C[C@@]1(C)CN ZINC000380934363 323292609 /nfs/dbraw/zinc/29/26/09/323292609.db2.gz ILOLHCKISKIWOR-VQIMIIECSA-N 1 3 301.478 2.568 20 0 DFADHO C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@H]1CCCCN1 ZINC000386534706 323319124 /nfs/dbraw/zinc/31/91/24/323319124.db2.gz BLCOHHLRFVAFPG-VQIMIIECSA-N 1 3 301.478 2.771 20 0 DFADHO CN(CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000386870335 323321274 /nfs/dbraw/zinc/32/12/74/323321274.db2.gz KSICQLZDDBXMDB-QRVBRYPASA-N 1 3 301.478 2.629 20 0 DFADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000391723560 323346043 /nfs/dbraw/zinc/34/60/43/323346043.db2.gz FBJGETMAVPUDMR-CABCVRRESA-N 1 3 319.449 2.603 20 0 DFADHO C[C@H]1C[C@H]([NH2+]CCCCN2CCN(C)CC2)c2ccccc21 ZINC000581215611 323491868 /nfs/dbraw/zinc/49/18/68/323491868.db2.gz VIWMKHXFIWKNTE-LPHOPBHVSA-N 1 3 301.478 2.852 20 0 DFADHO CC[NH2+]CCCN[C@H]1CCc2cccc(Br)c2C1 ZINC000581601912 323547009 /nfs/dbraw/zinc/54/70/09/323547009.db2.gz XUMUHULXAJEZKU-ZDUSSCGKSA-N 1 3 311.267 2.896 20 0 DFADHO COc1ccccc1N1CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000583451364 323858483 /nfs/dbraw/zinc/85/84/83/323858483.db2.gz SJGIWUISSJBZPD-HOCLYGCPSA-N 1 3 303.450 2.524 20 0 DFADHO c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)CNCC2 ZINC000584475159 337346275 /nfs/dbraw/zinc/34/62/75/337346275.db2.gz WELYHAHGEUPDJQ-IEBWSBKVSA-N 1 3 300.446 2.723 20 0 DFADHO c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)CNCC2 ZINC000584475159 337346276 /nfs/dbraw/zinc/34/62/76/337346276.db2.gz WELYHAHGEUPDJQ-IEBWSBKVSA-N 1 3 300.446 2.723 20 0 DFADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cncc(Br)c1 ZINC000584480654 337348874 /nfs/dbraw/zinc/34/88/74/337348874.db2.gz JIULAXFXIHCXPH-LLVKDONJSA-N 1 3 310.239 2.757 20 0 DFADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cncc(Br)c1 ZINC000584480654 337348875 /nfs/dbraw/zinc/34/88/75/337348875.db2.gz JIULAXFXIHCXPH-LLVKDONJSA-N 1 3 310.239 2.757 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4OCC[C@@H]43)CC2)ccn1 ZINC000297320344 534468632 /nfs/dbraw/zinc/46/86/32/534468632.db2.gz CFUYKNRXOHUPHW-KURKYZTESA-N 1 3 301.434 2.598 20 0 DFADHO CCC[C@](C)(N)C(=O)NC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000365006408 521274771 /nfs/dbraw/zinc/27/47/71/521274771.db2.gz FJKZHVISKSMAPC-AYBZRNKSSA-N 1 3 317.477 2.531 20 0 DFADHO CCC[C@](C)(N)C(=O)NC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000365006408 521274781 /nfs/dbraw/zinc/27/47/81/521274781.db2.gz FJKZHVISKSMAPC-AYBZRNKSSA-N 1 3 317.477 2.531 20 0 DFADHO CCOC(CN1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1)OCC ZINC000364915351 521631390 /nfs/dbraw/zinc/63/13/90/521631390.db2.gz OARQTTKSVBAIFU-OAHLLOKOSA-N 1 3 310.482 2.582 20 0 DFADHO CCOC(CN1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1)OCC ZINC000364915351 521631393 /nfs/dbraw/zinc/63/13/93/521631393.db2.gz OARQTTKSVBAIFU-OAHLLOKOSA-N 1 3 310.482 2.582 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC(C)C ZINC000361213550 521653489 /nfs/dbraw/zinc/65/34/89/521653489.db2.gz QWLCYTPHUOYVFZ-IRXDYDNUSA-N 1 3 311.514 2.543 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC(C)C ZINC000361213550 521653490 /nfs/dbraw/zinc/65/34/90/521653490.db2.gz QWLCYTPHUOYVFZ-IRXDYDNUSA-N 1 3 311.514 2.543 20 0 DFADHO [NH3+]CCCOC1CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000316388041 534617751 /nfs/dbraw/zinc/61/77/51/534617751.db2.gz FDTLMYMZJACEKN-UHFFFAOYSA-N 1 3 314.376 2.618 20 0 DFADHO Cc1cccc(CC[C@H](C)[NH2+]CCCN2CCCN(C)CC2)c1 ZINC000128385934 524365388 /nfs/dbraw/zinc/36/53/88/524365388.db2.gz CFCTYCGIJGLFFD-IBGZPJMESA-N 1 3 317.521 2.933 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1)C(C)C ZINC000299610122 528774569 /nfs/dbraw/zinc/77/45/69/528774569.db2.gz OJMFUXPOFSVAMM-OAHLLOKOSA-N 1 3 305.466 2.597 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1)C(C)C ZINC000299610122 528774571 /nfs/dbraw/zinc/77/45/71/528774571.db2.gz OJMFUXPOFSVAMM-OAHLLOKOSA-N 1 3 305.466 2.597 20 0 DFADHO CCCC[C@H](N)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000236818038 535046640 /nfs/dbraw/zinc/04/66/40/535046640.db2.gz RBIVDVDXNGNDKZ-KRWDZBQOSA-N 1 3 305.466 2.662 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362925369 535163088 /nfs/dbraw/zinc/16/30/88/535163088.db2.gz SXHWBOKONDRTQJ-UHFFFAOYSA-N 1 3 319.424 2.632 20 0 DFADHO CCC[NH+]1CCC(CNC(=O)c2ccccc2CN(C)C)CC1 ZINC000362697361 535352922 /nfs/dbraw/zinc/35/29/22/535352922.db2.gz KBFBDLGSKLYDTM-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO CN(C)Cc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000237052582 536011305 /nfs/dbraw/zinc/01/13/05/536011305.db2.gz GSTUDZAFKTVDJP-UHFFFAOYSA-N 1 3 311.420 2.567 20 0 DFADHO CN(C)Cc1ccccc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000362863402 536039727 /nfs/dbraw/zinc/03/97/27/536039727.db2.gz MPYKDHKSPBYZNE-QGZVFWFLSA-N 1 3 317.477 2.695 20 0 DFADHO CN(C)Cc1ccccc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000362863402 536039730 /nfs/dbraw/zinc/03/97/30/536039730.db2.gz MPYKDHKSPBYZNE-QGZVFWFLSA-N 1 3 317.477 2.695 20 0 DFADHO COc1cc(C)c(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000262065362 536573365 /nfs/dbraw/zinc/57/33/65/536573365.db2.gz FLHYNFFXVFSACV-BPUTZDHNSA-N 1 3 304.434 2.571 20 0 DFADHO COc1cc(CN2CCC[C@@H](CC[NH3+])C2)ccc1OC(F)F ZINC000261846352 536749748 /nfs/dbraw/zinc/74/97/48/536749748.db2.gz DCDITCUBBFIOOE-LBPRGKRZSA-N 1 3 314.376 2.857 20 0 DFADHO Cc1ccc2nccc(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000680620468 545519858 /nfs/dbraw/zinc/51/98/58/545519858.db2.gz HQBBJGMWQYIYFN-MOPGFXCFSA-N 1 3 311.429 2.579 20 0 DFADHO C[NH+](C)CCOCCNCc1c(Cl)ccc2cccnc21 ZINC000682615813 545884487 /nfs/dbraw/zinc/88/44/87/545884487.db2.gz LYNXLKIFXYNRCE-UHFFFAOYSA-N 1 3 307.825 2.556 20 0 DFADHO CN1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000683690285 546075659 /nfs/dbraw/zinc/07/56/59/546075659.db2.gz GHSWXHAGRUUNRO-HAGHYFMRSA-N 1 3 313.489 2.866 20 0 DFADHO CN1CCC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683690285 546075664 /nfs/dbraw/zinc/07/56/64/546075664.db2.gz GHSWXHAGRUUNRO-HAGHYFMRSA-N 1 3 313.489 2.866 20 0 DFADHO CN1CCC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683690285 546075667 /nfs/dbraw/zinc/07/56/67/546075667.db2.gz GHSWXHAGRUUNRO-HAGHYFMRSA-N 1 3 313.489 2.866 20 0 DFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc2ccccc2[nH]1 ZINC000685454749 546352703 /nfs/dbraw/zinc/35/27/03/546352703.db2.gz CXJALRVTVQYEAY-UHFFFAOYSA-N 1 3 314.477 2.626 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(F)nc2C)[C@H](C)C1 ZINC000278312517 214083720 /nfs/dbraw/zinc/08/37/20/214083720.db2.gz DCVSOSKBMYQKGL-RHSMWYFYSA-N 1 3 323.456 2.756 20 0 DFADHO COc1ccc2c(c1)[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)CC2 ZINC000278579780 214252032 /nfs/dbraw/zinc/25/20/32/214252032.db2.gz PZFBSIINQYHCJC-DNVCBOLYSA-N 1 3 318.461 2.773 20 0 DFADHO COc1ccc2c(c1)[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000278579780 214252033 /nfs/dbraw/zinc/25/20/33/214252033.db2.gz PZFBSIINQYHCJC-DNVCBOLYSA-N 1 3 318.461 2.773 20 0 DFADHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000309857392 231107709 /nfs/dbraw/zinc/10/77/09/231107709.db2.gz LTOCTTDOJOJTSE-RACLHMPKSA-N 1 3 314.473 2.912 20 0 DFADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000318516670 231170732 /nfs/dbraw/zinc/17/07/32/231170732.db2.gz ZQZYLVAIFKYZPJ-GFCCVEGCSA-N 1 3 320.355 2.814 20 0 DFADHO Cc1cc(C)cc(OCCCN2CCC(OCCC[NH3+])CC2)c1 ZINC000321469609 231203146 /nfs/dbraw/zinc/20/31/46/231203146.db2.gz FFKIWHJCXOSBSZ-UHFFFAOYSA-N 1 3 320.477 2.902 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2nc3cc(F)ccc3n2C)[C@H](C)C1 ZINC000090043825 185279443 /nfs/dbraw/zinc/27/94/43/185279443.db2.gz RXXVIEMKHJKTKI-UKRRQHHQSA-N 1 3 318.440 2.575 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2nc3cc(F)ccc3n2C)[C@H](C)C1 ZINC000090043825 185279444 /nfs/dbraw/zinc/27/94/44/185279444.db2.gz RXXVIEMKHJKTKI-UKRRQHHQSA-N 1 3 318.440 2.575 20 0 DFADHO COCCC[N@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000092537249 185324478 /nfs/dbraw/zinc/32/44/78/185324478.db2.gz CLTZUSKMXFPRPT-UHFFFAOYSA-N 1 3 319.493 2.685 20 0 DFADHO COCCC[N@@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000092537249 185324479 /nfs/dbraw/zinc/32/44/79/185324479.db2.gz CLTZUSKMXFPRPT-UHFFFAOYSA-N 1 3 319.493 2.685 20 0 DFADHO COCCCN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000092537249 185324480 /nfs/dbraw/zinc/32/44/80/185324480.db2.gz CLTZUSKMXFPRPT-UHFFFAOYSA-N 1 3 319.493 2.685 20 0 DFADHO C[N@H+](CCCCCO)CCC1CCN(c2ccncc2)CC1 ZINC000092820896 185343792 /nfs/dbraw/zinc/34/37/92/185343792.db2.gz NVNOAOLJFRWLAK-UHFFFAOYSA-N 1 3 305.466 2.783 20 0 DFADHO C[N@@H+](CCCCCO)CCC1CCN(c2ccncc2)CC1 ZINC000092820896 185343793 /nfs/dbraw/zinc/34/37/93/185343793.db2.gz NVNOAOLJFRWLAK-UHFFFAOYSA-N 1 3 305.466 2.783 20 0 DFADHO Cn1cc([C@H]([NH2+]C2CCC(O)CC2)c2cccc(F)c2)cn1 ZINC000095427046 185361898 /nfs/dbraw/zinc/36/18/98/185361898.db2.gz RWAPEPJAJZUJCU-OFLPRAFFSA-N 1 3 303.381 2.542 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000584714331 398401216 /nfs/dbraw/zinc/40/12/16/398401216.db2.gz ISTWSXUFQYFEQO-DYVFJYSZSA-N 1 3 302.466 2.516 20 0 DFADHO CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000592403878 398422829 /nfs/dbraw/zinc/42/28/29/398422829.db2.gz ORUZMVCBRVYCNF-WBVHZDCISA-N 1 3 322.493 2.961 20 0 DFADHO C[C@@H]1CCC[C@H](C)N1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459435462 299106070 /nfs/dbraw/zinc/10/60/70/299106070.db2.gz VRNYNQDITHKOIP-CALCHBBNSA-N 1 3 316.493 2.903 20 0 DFADHO CN(CC1([NH+](C)C)CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459445834 299108997 /nfs/dbraw/zinc/10/89/97/299108997.db2.gz NOISVHVSCZFSGP-SFHVURJKSA-N 1 3 301.478 2.677 20 0 DFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459455699 299110101 /nfs/dbraw/zinc/11/01/01/299110101.db2.gz DEGIYJJULJTGML-MISYRCLQSA-N 1 3 313.489 2.820 20 0 DFADHO C[N@@H+]1CCC[C@]2(CCN(C[C@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043498 530065100 /nfs/dbraw/zinc/06/51/00/530065100.db2.gz SOTMEHQCTUPZNR-MSOLQXFVSA-N 1 3 322.880 2.661 20 0 DFADHO C[N@H+]1CCC[C@]2(CCN(C[C@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043498 530065101 /nfs/dbraw/zinc/06/51/01/530065101.db2.gz SOTMEHQCTUPZNR-MSOLQXFVSA-N 1 3 322.880 2.661 20 0 DFADHO CC(C)[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CC1 ZINC000090038858 398474226 /nfs/dbraw/zinc/47/42/26/398474226.db2.gz QWGVWKMRZUJVTP-SFHVURJKSA-N 1 3 317.477 2.502 20 0 DFADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000302907810 398496104 /nfs/dbraw/zinc/49/61/04/398496104.db2.gz YAPGZLFIAGRORG-VQTJNVASSA-N 1 3 315.505 2.971 20 0 DFADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000302907810 398496107 /nfs/dbraw/zinc/49/61/07/398496107.db2.gz YAPGZLFIAGRORG-VQTJNVASSA-N 1 3 315.505 2.971 20 0 DFADHO COc1ccccc1OC[C@H](C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090937568 398496433 /nfs/dbraw/zinc/49/64/33/398496433.db2.gz FYQASLQRXSLKNB-IXDOHACOSA-N 1 3 318.461 2.927 20 0 DFADHO COc1ccccc1OC[C@H](C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090937568 398496439 /nfs/dbraw/zinc/49/64/39/398496439.db2.gz FYQASLQRXSLKNB-IXDOHACOSA-N 1 3 318.461 2.927 20 0 DFADHO COc1ccccc1OC[C@H](C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090937566 398496605 /nfs/dbraw/zinc/49/66/05/398496605.db2.gz FYQASLQRXSLKNB-BRWVUGGUSA-N 1 3 318.461 2.927 20 0 DFADHO COc1ccccc1OC[C@H](C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090937566 398496607 /nfs/dbraw/zinc/49/66/07/398496607.db2.gz FYQASLQRXSLKNB-BRWVUGGUSA-N 1 3 318.461 2.927 20 0 DFADHO C[C@H](NC1CC[NH+](C2CC2)CC1)[C@H]1OCCc2sccc21 ZINC000459556730 299133507 /nfs/dbraw/zinc/13/35/07/299133507.db2.gz KGJOYWLHSXBUNM-YVEFUNNKSA-N 1 3 306.475 2.967 20 0 DFADHO COCC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCC1 ZINC000459563401 299135255 /nfs/dbraw/zinc/13/52/55/299135255.db2.gz QEVPGEAKCXFODP-UHFFFAOYSA-N 1 3 303.450 2.847 20 0 DFADHO CC(C)[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccnc1 ZINC000091343597 398526644 /nfs/dbraw/zinc/52/66/44/398526644.db2.gz VSSMFIZORVMKQX-QFBILLFUSA-N 1 3 317.477 2.869 20 0 DFADHO CCCOc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1 ZINC000316440465 398531967 /nfs/dbraw/zinc/53/19/67/398531967.db2.gz MTAICMUAXSTLEG-UHFFFAOYSA-N 1 3 306.450 2.805 20 0 DFADHO CC[NH+](CC)CCCN1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000279720667 215091894 /nfs/dbraw/zinc/09/18/94/215091894.db2.gz LQQRUTXNWYEETE-LJQANCHMSA-N 1 3 318.509 2.567 20 0 DFADHO COC(=O)c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1Cl ZINC000597051658 398556616 /nfs/dbraw/zinc/55/66/16/398556616.db2.gz WJGSRTFMNSAIDR-CYBMUJFWSA-N 1 3 322.836 2.701 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1ccc(OCCN(C)C)cc1 ZINC000414342559 295790086 /nfs/dbraw/zinc/79/00/86/295790086.db2.gz PZLHYAKWEQOLIJ-LZLYRXPVSA-N 1 3 320.477 2.829 20 0 DFADHO CN(C/C=C\C[N@H+](C)C[C@@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000340171849 398578782 /nfs/dbraw/zinc/57/87/82/398578782.db2.gz MUANJHOPPBUWCP-SLXDBMQSSA-N 1 3 310.482 2.544 20 0 DFADHO CN(C/C=C\C[N@@H+](C)C[C@@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000340171849 398578788 /nfs/dbraw/zinc/57/87/88/398578788.db2.gz MUANJHOPPBUWCP-SLXDBMQSSA-N 1 3 310.482 2.544 20 0 DFADHO Cc1occc1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000414378673 295795017 /nfs/dbraw/zinc/79/50/17/295795017.db2.gz HHTLNIVIZBNZKZ-GJZGRUSLSA-N 1 3 306.450 2.909 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130446958 185968786 /nfs/dbraw/zinc/96/87/86/185968786.db2.gz DLMOLWGICKBKIF-ICSRJNTNSA-N 1 3 315.505 2.938 20 0 DFADHO CC[NH+]1CCC(CNCc2ccc(Br)cn2)CC1 ZINC000070396568 398594010 /nfs/dbraw/zinc/59/40/10/398594010.db2.gz CLYQURKBZZHSSA-UHFFFAOYSA-N 1 3 312.255 2.666 20 0 DFADHO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1cccc(OCCN(C)C)c1 ZINC000164042212 186147268 /nfs/dbraw/zinc/14/72/68/186147268.db2.gz ZQOLATLOUVHHJE-PBHICJAKSA-N 1 3 308.466 2.685 20 0 DFADHO OCCCC[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000194226174 186270376 /nfs/dbraw/zinc/27/03/76/186270376.db2.gz WIJMHSOQMFLVGN-OTWHNJEPSA-N 1 3 302.462 2.649 20 0 DFADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CCOC3(C)C)cc2)CC1 ZINC000294088745 282713556 /nfs/dbraw/zinc/71/35/56/282713556.db2.gz IUPBSOGEFGKUBF-GOSISDBHSA-N 1 3 318.461 2.817 20 0 DFADHO CCN(CC)c1ncc(CNCC[C@H]2CCC[N@H+](C)C2)s1 ZINC000459732061 299175417 /nfs/dbraw/zinc/17/54/17/299175417.db2.gz LZTXTJTXXWIIGY-CQSZACIVSA-N 1 3 310.511 2.811 20 0 DFADHO CCN(CC)c1ncc(CNCC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000459732061 299175419 /nfs/dbraw/zinc/17/54/19/299175419.db2.gz LZTXTJTXXWIIGY-CQSZACIVSA-N 1 3 310.511 2.811 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2coc3ccccc23)CC1 ZINC000414774323 295820817 /nfs/dbraw/zinc/82/08/17/295820817.db2.gz AYVPJBHZGQRKFR-AEFFLSMTSA-N 1 3 300.402 2.761 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(Br)cn2)C1 ZINC000459737433 299177161 /nfs/dbraw/zinc/17/71/61/299177161.db2.gz RFWCNUSTIUKODV-LBPRGKRZSA-N 1 3 312.255 2.666 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(Br)cn2)C1 ZINC000459737433 299177164 /nfs/dbraw/zinc/17/71/64/299177164.db2.gz RFWCNUSTIUKODV-LBPRGKRZSA-N 1 3 312.255 2.666 20 0 DFADHO CC(C)C[C@H](CN)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414832053 295823567 /nfs/dbraw/zinc/82/35/67/295823567.db2.gz DDIXITLEEMVGCH-LJQANCHMSA-N 1 3 321.484 2.796 20 0 DFADHO c1ccc([C@H]2C[C@H]([NH2+]CCCNCc3cccnc3)CCN2)cc1 ZINC000414857576 295827171 /nfs/dbraw/zinc/82/71/71/295827171.db2.gz FBARIDWTJXCFDX-WOJBJXKFSA-N 1 3 324.472 2.644 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2cnc([C@@H]3CCCO3)s2)C1 ZINC000459744042 299180170 /nfs/dbraw/zinc/18/01/70/299180170.db2.gz XPFQQAPOKPFJJC-ZFWWWQNUSA-N 1 3 309.479 2.816 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2cnc([C@@H]3CCCO3)s2)C1 ZINC000459744042 299180172 /nfs/dbraw/zinc/18/01/72/299180172.db2.gz XPFQQAPOKPFJJC-ZFWWWQNUSA-N 1 3 309.479 2.816 20 0 DFADHO C[C@H](C[NH3+])CNCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414874131 295828885 /nfs/dbraw/zinc/82/88/85/295828885.db2.gz IDFCURKKOOCFSZ-OAHLLOKOSA-N 1 3 321.428 2.619 20 0 DFADHO C[C@@H](CC[NH3+])NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414898744 295832037 /nfs/dbraw/zinc/83/20/37/295832037.db2.gz TXERQJQUMRJAMB-NSHDSACASA-N 1 3 312.339 2.718 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCNCC2(C)C)cc1F ZINC000414974589 295843164 /nfs/dbraw/zinc/84/31/64/295843164.db2.gz NRZBYBZUIOCPDG-SUMWQHHRSA-N 1 3 308.441 2.991 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CNCCC3(F)F)CC2)C1 ZINC000414991133 295844590 /nfs/dbraw/zinc/84/45/90/295844590.db2.gz AJUAGSUUMYUDCJ-KBMXLJTQSA-N 1 3 315.452 2.616 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000072859243 191242904 /nfs/dbraw/zinc/24/29/04/191242904.db2.gz FGZUJLBZGMMADS-AWEZNQCLSA-N 1 3 323.868 2.942 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000072859243 191242908 /nfs/dbraw/zinc/24/29/08/191242908.db2.gz FGZUJLBZGMMADS-AWEZNQCLSA-N 1 3 323.868 2.942 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2cnc(C(F)(F)F)s2)C1 ZINC000459794937 299195035 /nfs/dbraw/zinc/19/50/35/299195035.db2.gz VBOAZXLLAAUXRA-JTQLQIEISA-N 1 3 307.385 2.983 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2cnc(C(F)(F)F)s2)C1 ZINC000459794937 299195036 /nfs/dbraw/zinc/19/50/36/299195036.db2.gz VBOAZXLLAAUXRA-JTQLQIEISA-N 1 3 307.385 2.983 20 0 DFADHO COc1ccccc1N1CCC(N[C@@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000415077536 295855086 /nfs/dbraw/zinc/85/50/86/295855086.db2.gz FKAMPNGUKNVJAN-DOTOQJQBSA-N 1 3 317.477 2.784 20 0 DFADHO CC(C)[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000415081289 295855694 /nfs/dbraw/zinc/85/56/94/295855694.db2.gz MOOJNLQGPSAOIV-RDTXWAMCSA-N 1 3 304.434 2.744 20 0 DFADHO COCc1cccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000174315788 198318760 /nfs/dbraw/zinc/31/87/60/198318760.db2.gz ZFOHJYLACICPTO-IRXDYDNUSA-N 1 3 320.477 2.812 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000174411291 198332061 /nfs/dbraw/zinc/33/20/61/198332061.db2.gz RZLRLITVQLTMQL-CRAIPNDOSA-N 1 3 317.477 2.646 20 0 DFADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000130597210 283053692 /nfs/dbraw/zinc/05/36/92/283053692.db2.gz HZNUDVYNUMJMMR-KRWDZBQOSA-N 1 3 319.518 2.766 20 0 DFADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000130597210 283053698 /nfs/dbraw/zinc/05/36/98/283053698.db2.gz HZNUDVYNUMJMMR-KRWDZBQOSA-N 1 3 319.518 2.766 20 0 DFADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000130597002 283053665 /nfs/dbraw/zinc/05/36/65/283053665.db2.gz HZNUDVYNUMJMMR-QGZVFWFLSA-N 1 3 319.518 2.766 20 0 DFADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000130597002 283053670 /nfs/dbraw/zinc/05/36/70/283053670.db2.gz HZNUDVYNUMJMMR-QGZVFWFLSA-N 1 3 319.518 2.766 20 0 DFADHO CCN(Cc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1)C1CC1 ZINC000131111745 283072185 /nfs/dbraw/zinc/07/21/85/283072185.db2.gz KTZAJUQARKQESA-SFHVURJKSA-N 1 3 315.461 2.624 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000415946142 295905576 /nfs/dbraw/zinc/90/55/76/295905576.db2.gz STFXCAULEZJVBE-HNNXBMFYSA-N 1 3 318.465 2.792 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)C[C@H](N)c1ccccc1)CC(C)C ZINC000236825185 202027903 /nfs/dbraw/zinc/02/79/03/202027903.db2.gz YMZXUJDFVGSZMY-MSOLQXFVSA-N 1 3 319.493 2.949 20 0 DFADHO CC(C)CN(CCN(C)C)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416152030 295925009 /nfs/dbraw/zinc/92/50/09/295925009.db2.gz UNPIQLSLOAPASL-GOSISDBHSA-N 1 3 319.493 2.726 20 0 DFADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1 ZINC000236871504 202044500 /nfs/dbraw/zinc/04/45/00/202044500.db2.gz TUDSRPGLWVBBHL-KRWDZBQOSA-N 1 3 321.465 2.719 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccsc1 ZINC000236879078 202049126 /nfs/dbraw/zinc/04/91/26/202049126.db2.gz DBIJHGIRONGSQK-ZIAGYGMSSA-N 1 3 311.495 2.621 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000236913767 202067995 /nfs/dbraw/zinc/06/79/95/202067995.db2.gz QAUWXQXRHZCIEI-SUMWQHHRSA-N 1 3 316.449 2.515 20 0 DFADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000236935823 202080661 /nfs/dbraw/zinc/08/06/61/202080661.db2.gz RLTALRHSJVRQFD-YUELXQCFSA-N 1 3 311.495 2.621 20 0 DFADHO CC[C@@]1(C(=O)N2CCCN(CC3CCCCC3)CC2)CCC[NH2+]1 ZINC000134577455 283192975 /nfs/dbraw/zinc/19/29/75/283192975.db2.gz DTFIBWMINNJROL-IBGZPJMESA-N 1 3 321.509 2.633 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000236940756 202082104 /nfs/dbraw/zinc/08/21/04/202082104.db2.gz ZALVROPWCZQSRI-SJLPKXTDSA-N 1 3 319.493 2.910 20 0 DFADHO CCc1ccc([C@@H](CNC(=O)[C@]2(CC)CCC[NH2+]2)N(C)C)cc1 ZINC000134553945 283192080 /nfs/dbraw/zinc/19/20/80/283192080.db2.gz ZXBYDMWDKASEKY-MJGOQNOKSA-N 1 3 317.477 2.500 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000236971901 202102031 /nfs/dbraw/zinc/10/20/31/202102031.db2.gz FHLCBRWGDNTPPD-GOSISDBHSA-N 1 3 317.477 2.662 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000236983571 202107952 /nfs/dbraw/zinc/10/79/52/202107952.db2.gz KEYMMAIHCBAGNO-RHSMWYFYSA-N 1 3 305.466 2.518 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CCCC12CCN(C)CC2 ZINC000372840159 283209186 /nfs/dbraw/zinc/20/91/86/283209186.db2.gz VKOFJRLAADLKCM-UHFFFAOYSA-N 1 3 323.525 2.975 20 0 DFADHO C[NH+](C)[C@H](CNC(=O)C[C@H](N)c1ccccc1)C1CCCCC1 ZINC000237192792 202182911 /nfs/dbraw/zinc/18/29/11/202182911.db2.gz QMPUFTRTQIHCBF-ZWKOTPCHSA-N 1 3 317.477 2.703 20 0 DFADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)Cn2cccn2)cc1 ZINC000137966735 283255788 /nfs/dbraw/zinc/25/57/88/283255788.db2.gz BHHIMLAESVRKQM-MRXNPFEDSA-N 1 3 300.450 2.903 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000151330147 283281307 /nfs/dbraw/zinc/28/13/07/283281307.db2.gz WFKFVUFHWANSGD-GPMSIDNRSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1cccc(Cn2ccnc2)c1 ZINC000151330147 283281309 /nfs/dbraw/zinc/28/13/09/283281309.db2.gz WFKFVUFHWANSGD-GPMSIDNRSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cccc(Cn2ccnc2)c1 ZINC000151330147 283281312 /nfs/dbraw/zinc/28/13/12/283281312.db2.gz WFKFVUFHWANSGD-GPMSIDNRSA-N 1 3 312.461 2.750 20 0 DFADHO CCC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(C)C ZINC000179280823 199009272 /nfs/dbraw/zinc/00/92/72/199009272.db2.gz XVTNSUMKRURLNQ-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C)C[C@@H]1C)Cc1ccccc1 ZINC000151726002 283294329 /nfs/dbraw/zinc/29/43/29/283294329.db2.gz KOPGFZBUEQWKOH-YSIASYRMSA-N 1 3 317.521 2.869 20 0 DFADHO COC(=O)c1cc(CNCCCCC[NH+]2CCCC2)c(C)o1 ZINC000594609096 398831131 /nfs/dbraw/zinc/83/11/31/398831131.db2.gz FSHQEEBFFSCYFL-UHFFFAOYSA-N 1 3 308.422 2.730 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@@H](C)C2 ZINC000180078171 199115202 /nfs/dbraw/zinc/11/52/02/199115202.db2.gz RXUSROOQZHDMNW-OXJNMPFZSA-N 1 3 315.505 2.844 20 0 DFADHO CCC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180139118 199121874 /nfs/dbraw/zinc/12/18/74/199121874.db2.gz NDHVIYILBLJWHH-IPQPSQTFSA-N 1 3 302.462 2.933 20 0 DFADHO CCC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180139118 199121876 /nfs/dbraw/zinc/12/18/76/199121876.db2.gz NDHVIYILBLJWHH-IPQPSQTFSA-N 1 3 302.462 2.933 20 0 DFADHO COCC[C@H](C)[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180162858 199125483 /nfs/dbraw/zinc/12/54/83/199125483.db2.gz TWIBGGAABZRWFV-WNHJNPCNSA-N 1 3 302.462 2.912 20 0 DFADHO CCOC(=O)c1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000594736827 398852678 /nfs/dbraw/zinc/85/26/78/398852678.db2.gz WNRMVDHUTRVZQD-HNNXBMFYSA-N 1 3 320.433 2.668 20 0 DFADHO C[C@@H](CC(=O)N(CCN(C)C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000237308558 202225993 /nfs/dbraw/zinc/22/59/93/202225993.db2.gz BEVGQHALLJLQPH-IRXDYDNUSA-N 1 3 317.477 2.607 20 0 DFADHO CC(C)[NH+]1CCC(NCCc2nc3c(cccc3F)n2C)CC1 ZINC000180463011 199161894 /nfs/dbraw/zinc/16/18/94/199161894.db2.gz MNEYGGOUKQYWFI-UHFFFAOYSA-N 1 3 318.440 2.717 20 0 DFADHO CC[N@H+](CCCN[C@H](C)[C@H]1C[C@@H]1C(=O)OC)C1CCCCC1 ZINC000594944685 398878297 /nfs/dbraw/zinc/87/82/97/398878297.db2.gz BCLCFDXBWCIUOW-OIISXLGYSA-N 1 3 310.482 2.818 20 0 DFADHO CC[N@@H+](CCCN[C@H](C)[C@H]1C[C@@H]1C(=O)OC)C1CCCCC1 ZINC000594944685 398878300 /nfs/dbraw/zinc/87/83/00/398878300.db2.gz BCLCFDXBWCIUOW-OIISXLGYSA-N 1 3 310.482 2.818 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000468551770 299280370 /nfs/dbraw/zinc/28/03/70/299280370.db2.gz FBLRNHOXRLGQKV-RBUKOAKNSA-N 1 3 316.489 2.834 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)CC1(C)C ZINC000598974060 398901045 /nfs/dbraw/zinc/90/10/45/398901045.db2.gz LGIYASWIYGTXPF-KKSFZXQISA-N 1 3 308.491 2.528 20 0 DFADHO CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCCCN(C)C2)c1C ZINC000598995205 398905077 /nfs/dbraw/zinc/90/50/77/398905077.db2.gz VXVKLHYBMNATRL-HNNXBMFYSA-N 1 3 321.465 2.630 20 0 DFADHO C[C@@H](CCNC(=O)C1(N)CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000237559087 202282638 /nfs/dbraw/zinc/28/26/38/202282638.db2.gz IEVZNNMTTDDRSP-INIZCTEOSA-N 1 3 317.477 2.675 20 0 DFADHO C[C@@H](CCNC(=O)C1(N)CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000237559087 202282642 /nfs/dbraw/zinc/28/26/42/202282642.db2.gz IEVZNNMTTDDRSP-INIZCTEOSA-N 1 3 317.477 2.675 20 0 DFADHO C[C@@H]1CCC[C@@](CNC(=O)C[C@@H](N)c2ccccc2)([NH+](C)C)C1 ZINC000237597665 202298754 /nfs/dbraw/zinc/29/87/54/202298754.db2.gz ZDKZKBXNQRVTDX-SZVBFZGTSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@]1(C(=O)Nc2cccc(CN3CCCCC3)c2)CC[NH2+]C1 ZINC000237623812 202308424 /nfs/dbraw/zinc/30/84/24/202308424.db2.gz OKGPZHNKIVVKQW-SFHVURJKSA-N 1 3 301.434 2.611 20 0 DFADHO CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000188667080 200283921 /nfs/dbraw/zinc/28/39/21/200283921.db2.gz JKESBSOVORLJMF-YDZRNGNQSA-N 1 3 302.462 2.648 20 0 DFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309939 296008906 /nfs/dbraw/zinc/00/89/06/296008906.db2.gz GQALTIIZUATCRW-BHYGNILZSA-N 1 3 321.534 2.856 20 0 DFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1ccc(Cl)cc1F ZINC000189331157 200382756 /nfs/dbraw/zinc/38/27/56/200382756.db2.gz NYBMCKKIBGSOOA-HNNXBMFYSA-N 1 3 314.832 2.806 20 0 DFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1ccc(Cl)cc1F ZINC000189331157 200382758 /nfs/dbraw/zinc/38/27/58/200382758.db2.gz NYBMCKKIBGSOOA-HNNXBMFYSA-N 1 3 314.832 2.806 20 0 DFADHO O[C@H]1CC[C@@H](C[NH2+][C@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000189329888 200382910 /nfs/dbraw/zinc/38/29/10/200382910.db2.gz GKESKQXWQQGAHL-OBKDMQGPSA-N 1 3 314.473 2.648 20 0 DFADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000192100617 296021725 /nfs/dbraw/zinc/02/17/25/296021725.db2.gz DIRNCPWXEYFZOT-JFIYKMOQSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000271870447 209282319 /nfs/dbraw/zinc/28/23/19/209282319.db2.gz MONNNRRYVZIXFM-INIZCTEOSA-N 1 3 304.478 2.789 20 0 DFADHO c1ccc(CCN2CC[C@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000194374327 201212207 /nfs/dbraw/zinc/21/22/07/201212207.db2.gz XJXYSKAVSGEFJY-MOPGFXCFSA-N 1 3 300.446 2.833 20 0 DFADHO c1ccc(CC[N@@H+]2CC[C@H](CNC[C@@H]3CCC=CO3)C2)cc1 ZINC000194374327 201212208 /nfs/dbraw/zinc/21/22/08/201212208.db2.gz XJXYSKAVSGEFJY-MOPGFXCFSA-N 1 3 300.446 2.833 20 0 DFADHO c1ccc(CC[N@H+]2CC[C@H](CNC[C@@H]3CCC=CO3)C2)cc1 ZINC000194374327 201212213 /nfs/dbraw/zinc/21/22/13/201212213.db2.gz XJXYSKAVSGEFJY-MOPGFXCFSA-N 1 3 300.446 2.833 20 0 DFADHO CN1CC=C(C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000271860010 209275885 /nfs/dbraw/zinc/27/58/85/209275885.db2.gz KEPUBSTWRHFBOJ-UHFFFAOYSA-N 1 3 313.489 2.545 20 0 DFADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1=CCN(C)CC1 ZINC000271833227 209253193 /nfs/dbraw/zinc/25/31/93/209253193.db2.gz FEYSDCBWFJMYAB-KRWDZBQOSA-N 1 3 318.461 2.876 20 0 DFADHO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475033367 299341199 /nfs/dbraw/zinc/34/11/99/299341199.db2.gz JHWIGIZVYNBEFC-JQHSSLGASA-N 1 3 317.477 2.526 20 0 DFADHO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475033367 299341203 /nfs/dbraw/zinc/34/12/03/299341203.db2.gz JHWIGIZVYNBEFC-JQHSSLGASA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000475154699 299344820 /nfs/dbraw/zinc/34/48/20/299344820.db2.gz FEIGDCRUICGJPD-MSOLQXFVSA-N 1 3 321.509 2.534 20 0 DFADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599587177 399022092 /nfs/dbraw/zinc/02/20/92/399022092.db2.gz DMLGAPWUPMMBKG-OWCLPIDISA-N 1 3 310.482 2.770 20 0 DFADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599587177 399022096 /nfs/dbraw/zinc/02/20/96/399022096.db2.gz DMLGAPWUPMMBKG-OWCLPIDISA-N 1 3 310.482 2.770 20 0 DFADHO C[C@@H]1C[N@H+](CC[C@H]2CCCN2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599587176 399022471 /nfs/dbraw/zinc/02/24/71/399022471.db2.gz DMLGAPWUPMMBKG-OAGGEKHMSA-N 1 3 310.482 2.770 20 0 DFADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599587176 399022475 /nfs/dbraw/zinc/02/24/75/399022475.db2.gz DMLGAPWUPMMBKG-OAGGEKHMSA-N 1 3 310.482 2.770 20 0 DFADHO CC(=O)N1CC[C@@H](NCC[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000621763133 399071466 /nfs/dbraw/zinc/07/14/66/399071466.db2.gz RCPBCIRROHTVKG-SJLPKXTDSA-N 1 3 315.461 2.806 20 0 DFADHO CC(=O)N1CC[C@@H](NCC[C@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000621763133 399071471 /nfs/dbraw/zinc/07/14/71/399071471.db2.gz RCPBCIRROHTVKG-SJLPKXTDSA-N 1 3 315.461 2.806 20 0 DFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(NC(N)=O)cc1 ZINC000367755647 299386053 /nfs/dbraw/zinc/38/60/53/299386053.db2.gz PYPDHMFROUQSLZ-WBQNTZJQSA-N 1 3 316.449 2.701 20 0 DFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(NC(N)=O)cc1 ZINC000367755647 299386055 /nfs/dbraw/zinc/38/60/55/299386055.db2.gz PYPDHMFROUQSLZ-WBQNTZJQSA-N 1 3 316.449 2.701 20 0 DFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccc(NC(N)=O)cc1 ZINC000367755646 299386894 /nfs/dbraw/zinc/38/68/94/299386894.db2.gz PYPDHMFROUQSLZ-SJWGOKEGSA-N 1 3 316.449 2.701 20 0 DFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccc(NC(N)=O)cc1 ZINC000367755646 299386895 /nfs/dbraw/zinc/38/68/95/299386895.db2.gz PYPDHMFROUQSLZ-SJWGOKEGSA-N 1 3 316.449 2.701 20 0 DFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Cl)cn1 ZINC000274861346 296122044 /nfs/dbraw/zinc/12/20/44/296122044.db2.gz CYMAKXALPJSOIU-UKRRQHHQSA-N 1 3 311.857 2.623 20 0 DFADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cn1 ZINC000274861346 296122047 /nfs/dbraw/zinc/12/20/47/296122047.db2.gz CYMAKXALPJSOIU-UKRRQHHQSA-N 1 3 311.857 2.623 20 0 DFADHO CC[C@H](C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1)OC ZINC000419218960 296128300 /nfs/dbraw/zinc/12/83/00/296128300.db2.gz SIGDXRYYBBXIHQ-XYJFISCASA-N 1 3 312.498 2.623 20 0 DFADHO Cc1ccc(C[NH2+]CC2=CCN(C)CC2)c(-c2ccnn2C)c1 ZINC000338456614 284115300 /nfs/dbraw/zinc/11/53/00/284115300.db2.gz LQLHBZODNJZIOD-UHFFFAOYSA-N 1 3 310.445 2.747 20 0 DFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000262675486 203377587 /nfs/dbraw/zinc/37/75/87/203377587.db2.gz RRDZCLMARPOORL-BQFCYCMXSA-N 1 3 317.477 2.513 20 0 DFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000262675486 203377590 /nfs/dbraw/zinc/37/75/90/203377590.db2.gz RRDZCLMARPOORL-BQFCYCMXSA-N 1 3 317.477 2.513 20 0 DFADHO C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[C@H](N)c1ccccc1 ZINC000262681440 203380034 /nfs/dbraw/zinc/38/00/34/203380034.db2.gz XKMGCYIECDJXHE-JQHSSLGASA-N 1 3 317.477 2.655 20 0 DFADHO C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[C@H](N)c1ccccc1 ZINC000262681440 203380038 /nfs/dbraw/zinc/38/00/38/203380038.db2.gz XKMGCYIECDJXHE-JQHSSLGASA-N 1 3 317.477 2.655 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CNCC2CC2)cc1 ZINC000262680835 203380653 /nfs/dbraw/zinc/38/06/53/203380653.db2.gz XCWNYIOQJUVLDN-OAHLLOKOSA-N 1 3 315.461 2.999 20 0 DFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CNCC2CC2)cc1 ZINC000262680835 203380656 /nfs/dbraw/zinc/38/06/56/203380656.db2.gz XCWNYIOQJUVLDN-OAHLLOKOSA-N 1 3 315.461 2.999 20 0 DFADHO C[C@H]1CN(CCC2CC[NH+](Cc3cc[nH]c3)CC2)C[C@H](C)O1 ZINC000093844353 193318078 /nfs/dbraw/zinc/31/80/78/193318078.db2.gz GIBXYZQRPMCOEM-HOTGVXAUSA-N 1 3 305.466 2.726 20 0 DFADHO CSc1ccc([C@H](C[NH2+][C@@H]2CCN(C)C[C@@H]2C)N(C)C)cc1 ZINC000340530702 284189326 /nfs/dbraw/zinc/18/93/26/284189326.db2.gz GDQIDPGKYVXMJO-QGTPRVQTSA-N 1 3 321.534 2.941 20 0 DFADHO CSc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000340530702 284189329 /nfs/dbraw/zinc/18/93/29/284189329.db2.gz GDQIDPGKYVXMJO-QGTPRVQTSA-N 1 3 321.534 2.941 20 0 DFADHO CSc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000340530702 284189334 /nfs/dbraw/zinc/18/93/34/284189334.db2.gz GDQIDPGKYVXMJO-QGTPRVQTSA-N 1 3 321.534 2.941 20 0 DFADHO CSC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274964650 212046903 /nfs/dbraw/zinc/04/69/03/212046903.db2.gz XFKATDJSDFTTNO-CGTJXYLNSA-N 1 3 322.518 2.601 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000263989394 203667922 /nfs/dbraw/zinc/66/79/22/203667922.db2.gz FTUKMMZIXAZYMJ-SFHVURJKSA-N 1 3 317.477 2.695 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000263989394 203667925 /nfs/dbraw/zinc/66/79/25/203667925.db2.gz FTUKMMZIXAZYMJ-SFHVURJKSA-N 1 3 317.477 2.695 20 0 DFADHO Cc1cc(N2CCC[NH2+]CC2)c2cc(OC(F)F)ccc2n1 ZINC000420156402 296159876 /nfs/dbraw/zinc/15/98/76/296159876.db2.gz GIKSGONYUXSZQE-UHFFFAOYSA-N 1 3 307.344 2.944 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnn(C(C)C)c2)[C@H](C)C1 ZINC000341007978 284227975 /nfs/dbraw/zinc/22/79/75/284227975.db2.gz JSECZKNANLVNPL-SJLPKXTDSA-N 1 3 322.497 2.691 20 0 DFADHO CCCc1cc(N2CC[C@H](N3CC[NH2+]CC3)C2)c2ccccc2n1 ZINC000420257391 296166240 /nfs/dbraw/zinc/16/62/40/296166240.db2.gz WGKXSXBZAQNFKD-KRWDZBQOSA-N 1 3 324.472 2.671 20 0 DFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H](C)N ZINC000420273958 296168105 /nfs/dbraw/zinc/16/81/05/296168105.db2.gz OAMVPPPMGHBECE-HOCLYGCPSA-N 1 3 319.449 2.616 20 0 DFADHO CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)N ZINC000420273958 296168106 /nfs/dbraw/zinc/16/81/06/296168106.db2.gz OAMVPPPMGHBECE-HOCLYGCPSA-N 1 3 319.449 2.616 20 0 DFADHO Cc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)c2cc(OC(F)F)ccc2n1 ZINC000420278065 296168399 /nfs/dbraw/zinc/16/83/99/296168399.db2.gz NSESHMDCVVZBGP-ZANVPECISA-N 1 3 307.344 2.928 20 0 DFADHO c1ccc([C@@H]2c3ccccc3CCN2CCN2CC[NH2+]CC2)cc1 ZINC000420295748 296170573 /nfs/dbraw/zinc/17/05/73/296170573.db2.gz COVFFHZQZNUZEX-OAQYLSRUSA-N 1 3 321.468 2.539 20 0 DFADHO Cc1ccccc1[C@H]1CC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420299483 296171259 /nfs/dbraw/zinc/17/12/59/296171259.db2.gz ITVMVORHQAAGDC-JBACZVJFSA-N 1 3 324.468 2.715 20 0 DFADHO Cc1ccccc1[C@H]1CC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420299483 296171261 /nfs/dbraw/zinc/17/12/61/296171261.db2.gz ITVMVORHQAAGDC-JBACZVJFSA-N 1 3 324.468 2.715 20 0 DFADHO Cc1ccccc1[C@H]1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299483 296171262 /nfs/dbraw/zinc/17/12/62/296171262.db2.gz ITVMVORHQAAGDC-JBACZVJFSA-N 1 3 324.468 2.715 20 0 DFADHO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420294529 296170708 /nfs/dbraw/zinc/17/07/08/296170708.db2.gz AZUAWFYBLXJIJI-BDXSIMOUSA-N 1 3 322.518 2.523 20 0 DFADHO CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420294529 296170709 /nfs/dbraw/zinc/17/07/09/296170709.db2.gz AZUAWFYBLXJIJI-BDXSIMOUSA-N 1 3 322.518 2.523 20 0 DFADHO CCS[C@@H]1CC[C@@H](N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420294529 296170710 /nfs/dbraw/zinc/17/07/10/296170710.db2.gz AZUAWFYBLXJIJI-BDXSIMOUSA-N 1 3 322.518 2.523 20 0 DFADHO CCOc1ccccc1NC(=O)CCN(C)CC[C@H]([NH3+])C(C)C ZINC000420295355 296170714 /nfs/dbraw/zinc/17/07/14/296170714.db2.gz VHWOYCNRTCOQBR-HNNXBMFYSA-N 1 3 321.465 2.719 20 0 DFADHO COc1cc(CN(C)CC[C@H]2CC[NH2+]C2)c(SC)cc1OC ZINC000420297119 296170870 /nfs/dbraw/zinc/17/08/70/296170870.db2.gz FNCHXZDYAQZZJD-CYBMUJFWSA-N 1 3 324.490 2.857 20 0 DFADHO COc1ccc([C@H](C[NH3+])CN2CCS[C@@H](C(C)C)C2)cc1 ZINC000420296419 296170957 /nfs/dbraw/zinc/17/09/57/296170957.db2.gz DMVZGNGGBFWMGO-NVXWUHKLSA-N 1 3 308.491 2.811 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2CCS[C@@H](C(C)C)C2)cc1 ZINC000420296419 296170958 /nfs/dbraw/zinc/17/09/58/296170958.db2.gz DMVZGNGGBFWMGO-NVXWUHKLSA-N 1 3 308.491 2.811 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2CCS[C@@H](C(C)C)C2)cc1 ZINC000420296419 296170959 /nfs/dbraw/zinc/17/09/59/296170959.db2.gz DMVZGNGGBFWMGO-NVXWUHKLSA-N 1 3 308.491 2.811 20 0 DFADHO COc1ccc([C@@H](C[NH3+])CN2CCS[C@@H](C(C)C)C2)cc1 ZINC000420296417 296170987 /nfs/dbraw/zinc/17/09/87/296170987.db2.gz DMVZGNGGBFWMGO-DOTOQJQBSA-N 1 3 308.491 2.811 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCS[C@@H](C(C)C)C2)cc1 ZINC000420296417 296170988 /nfs/dbraw/zinc/17/09/88/296170988.db2.gz DMVZGNGGBFWMGO-DOTOQJQBSA-N 1 3 308.491 2.811 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2CCS[C@@H](C(C)C)C2)cc1 ZINC000420296417 296170989 /nfs/dbraw/zinc/17/09/89/296170989.db2.gz DMVZGNGGBFWMGO-DOTOQJQBSA-N 1 3 308.491 2.811 20 0 DFADHO CC(C)[C@H](c1ccccc1Cl)N(C)CCN1CC[NH2+]CC1 ZINC000420300386 296171149 /nfs/dbraw/zinc/17/11/49/296171149.db2.gz KFYPCUOJOSFPRL-QGZVFWFLSA-N 1 3 309.885 2.874 20 0 DFADHO Fc1cccc(CN(CC[C@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420303923 296172073 /nfs/dbraw/zinc/17/20/73/296172073.db2.gz NYKQSEBBAYMMMA-CRAIPNDOSA-N 1 3 306.425 2.806 20 0 DFADHO COc1ccc([C@H](C[NH3+])CN2CCC(OCC3CC3)CC2)cc1 ZINC000420300709 296171831 /nfs/dbraw/zinc/17/18/31/296171831.db2.gz KJTLMLNUTGQYKT-QGZVFWFLSA-N 1 3 318.461 2.629 20 0 DFADHO COc1ccc([C@H](CN)C[NH+]2CCC(OCC3CC3)CC2)cc1 ZINC000420300709 296171832 /nfs/dbraw/zinc/17/18/32/296171832.db2.gz KJTLMLNUTGQYKT-QGZVFWFLSA-N 1 3 318.461 2.629 20 0 DFADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420311808 296173355 /nfs/dbraw/zinc/17/33/55/296173355.db2.gz HVZMQWSEXHCGCF-HNNXBMFYSA-N 1 3 309.841 2.872 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000420313481 296173794 /nfs/dbraw/zinc/17/37/94/296173794.db2.gz UCEFFYLGBFHJGJ-AXAPSJFSSA-N 1 3 312.816 2.917 20 0 DFADHO c1ccc2c(c1)cccc2[C@@H]1CCC[N@H+]1CCN1CCNCC1 ZINC000420320012 296174452 /nfs/dbraw/zinc/17/44/52/296174452.db2.gz PZUHRKRZSWKWMH-FQEVSTJZSA-N 1 3 309.457 2.882 20 0 DFADHO c1ccc2c(c1)cccc2[C@@H]1CCC[N@@H+]1CCN1CCNCC1 ZINC000420320012 296174453 /nfs/dbraw/zinc/17/44/53/296174453.db2.gz PZUHRKRZSWKWMH-FQEVSTJZSA-N 1 3 309.457 2.882 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000420318367 296174504 /nfs/dbraw/zinc/17/45/04/296174504.db2.gz OOQQQJGDODMNIL-BZSNNMDCSA-N 1 3 316.470 2.816 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000420318367 296174506 /nfs/dbraw/zinc/17/45/06/296174506.db2.gz OOQQQJGDODMNIL-BZSNNMDCSA-N 1 3 316.470 2.816 20 0 DFADHO CCc1ccc(C[N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420318771 296174553 /nfs/dbraw/zinc/17/45/53/296174553.db2.gz OVVZLWXHUSZKCU-PMACEKPBSA-N 1 3 312.457 2.612 20 0 DFADHO CCc1ccc(C[N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420318771 296174554 /nfs/dbraw/zinc/17/45/54/296174554.db2.gz OVVZLWXHUSZKCU-PMACEKPBSA-N 1 3 312.457 2.612 20 0 DFADHO Cc1cccc(NC(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)c1C ZINC000420317493 296174142 /nfs/dbraw/zinc/17/41/42/296174142.db2.gz UOXJWICVVTUSKE-HZPDHXFCSA-N 1 3 303.450 2.691 20 0 DFADHO CC[C@@H](c1ccc(F)cc1)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323657 296175131 /nfs/dbraw/zinc/17/51/31/296175131.db2.gz GPLJAPFUVCABAR-WBVHZDCISA-N 1 3 306.425 2.964 20 0 DFADHO CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000420321402 296174890 /nfs/dbraw/zinc/17/48/90/296174890.db2.gz ZZYSQGJVXIISEQ-LSDHHAIUSA-N 1 3 303.450 2.637 20 0 DFADHO NC[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420328755 296176243 /nfs/dbraw/zinc/17/62/43/296176243.db2.gz MYOXTHYLSKDAEI-MRXNPFEDSA-N 1 3 322.880 2.960 20 0 DFADHO NC[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420328755 296176245 /nfs/dbraw/zinc/17/62/45/296176245.db2.gz MYOXTHYLSKDAEI-MRXNPFEDSA-N 1 3 322.880 2.960 20 0 DFADHO c1ccc(OCCOCCN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420331182 296176389 /nfs/dbraw/zinc/17/63/89/296176389.db2.gz BSOLOESLWGEMSJ-IBGZPJMESA-N 1 3 318.461 2.546 20 0 DFADHO FC(F)(F)c1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000420331624 296176414 /nfs/dbraw/zinc/17/64/14/296176414.db2.gz RAZYCSCLZNZZFB-STQMWFEESA-N 1 3 313.367 2.922 20 0 DFADHO CC(C)N(CCC[NH3+])C[C@H](O)COc1cccc2ccccc21 ZINC000420327293 296175685 /nfs/dbraw/zinc/17/56/85/296175685.db2.gz YEEYDLMLZQQRGQ-KRWDZBQOSA-N 1 3 316.445 2.639 20 0 DFADHO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420338039 296177161 /nfs/dbraw/zinc/17/71/61/296177161.db2.gz NPSVJZZTUCYHLJ-CWRNSKLLSA-N 1 3 312.417 2.729 20 0 DFADHO Cc1cc(C)cc(NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420339006 296177367 /nfs/dbraw/zinc/17/73/67/296177367.db2.gz LJXCDZZEXPVSHG-SJORKVTESA-N 1 3 315.461 2.563 20 0 DFADHO Cc1ccc(NC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000420347824 296178301 /nfs/dbraw/zinc/17/83/01/296178301.db2.gz ZJTIPDFOTFVOIE-ZACQAIPSSA-N 1 3 315.461 2.562 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000341974127 284301956 /nfs/dbraw/zinc/30/19/56/284301956.db2.gz VALJFWUZACXQJG-MRXNPFEDSA-N 1 3 317.477 2.533 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000341974126 284302028 /nfs/dbraw/zinc/30/20/28/284302028.db2.gz VALJFWUZACXQJG-INIZCTEOSA-N 1 3 317.477 2.533 20 0 DFADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)Nc1ccc(Cl)cc1 ZINC000420366437 296181294 /nfs/dbraw/zinc/18/12/94/296181294.db2.gz RCCPDYMWQMBNKZ-CQSZACIVSA-N 1 3 309.841 2.646 20 0 DFADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000420366437 296181295 /nfs/dbraw/zinc/18/12/95/296181295.db2.gz RCCPDYMWQMBNKZ-CQSZACIVSA-N 1 3 309.841 2.646 20 0 DFADHO COc1ccc([C@@H](C[NH3+])CN(C)CCc2ncc(C)s2)cc1 ZINC000420368395 296181031 /nfs/dbraw/zinc/18/10/31/296181031.db2.gz WUPNUMIWIWKTLI-HNNXBMFYSA-N 1 3 319.474 2.677 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+](C)CCc2ncc(C)s2)cc1 ZINC000420368395 296181033 /nfs/dbraw/zinc/18/10/33/296181033.db2.gz WUPNUMIWIWKTLI-HNNXBMFYSA-N 1 3 319.474 2.677 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+](C)CCc2ncc(C)s2)cc1 ZINC000420368395 296181034 /nfs/dbraw/zinc/18/10/34/296181034.db2.gz WUPNUMIWIWKTLI-HNNXBMFYSA-N 1 3 319.474 2.677 20 0 DFADHO [NH3+]C[C@H](NCCC(=O)Nc1ccccc1F)C1CCCCC1 ZINC000420368648 296181526 /nfs/dbraw/zinc/18/15/26/296181526.db2.gz NWFOKMCTHKAWRD-INIZCTEOSA-N 1 3 307.413 2.652 20 0 DFADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)Nc1cccc(Cl)c1 ZINC000420369945 296181681 /nfs/dbraw/zinc/18/16/81/296181681.db2.gz VJRQHKNKLNYTPQ-AWEZNQCLSA-N 1 3 309.841 2.646 20 0 DFADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000420369945 296181682 /nfs/dbraw/zinc/18/16/82/296181682.db2.gz VJRQHKNKLNYTPQ-AWEZNQCLSA-N 1 3 309.841 2.646 20 0 DFADHO NC[C@@H]1C[N@H+](CCCSc2ccccc2Cl)CCCO1 ZINC000420384214 296183865 /nfs/dbraw/zinc/18/38/65/296183865.db2.gz GDWFNOSCPWJJHX-CYBMUJFWSA-N 1 3 314.882 2.872 20 0 DFADHO NC[C@@H]1C[N@@H+](CCCSc2ccccc2Cl)CCCO1 ZINC000420384214 296183866 /nfs/dbraw/zinc/18/38/66/296183866.db2.gz GDWFNOSCPWJJHX-CYBMUJFWSA-N 1 3 314.882 2.872 20 0 DFADHO COc1cc2nccc(N(C)C[C@@H]3CCC[N@@H+]3C)c2cc1OC ZINC000420628643 296193854 /nfs/dbraw/zinc/19/38/54/296193854.db2.gz BIMFECPPOLOZKF-ZDUSSCGKSA-N 1 3 315.417 2.782 20 0 DFADHO COc1cc2nccc(N(C)C[C@@H]3CCC[N@H+]3C)c2cc1OC ZINC000420628643 296193855 /nfs/dbraw/zinc/19/38/55/296193855.db2.gz BIMFECPPOLOZKF-ZDUSSCGKSA-N 1 3 315.417 2.782 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000288398155 220132048 /nfs/dbraw/zinc/13/20/48/220132048.db2.gz YOXZSWQTRCSMHL-CJNGLKHVSA-N 1 3 323.456 2.711 20 0 DFADHO CCN(CCC[NH+]1CCCC1)C(=O)c1ccccc1CN(C)C ZINC000487302017 299456578 /nfs/dbraw/zinc/45/65/78/299456578.db2.gz IXWQITJULCLZAK-UHFFFAOYSA-N 1 3 317.477 2.696 20 0 DFADHO C[C@@H](c1ccncc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000608750908 399292753 /nfs/dbraw/zinc/29/27/53/399292753.db2.gz IJCSZAYJKOVTJJ-INIZCTEOSA-N 1 3 303.450 2.719 20 0 DFADHO CN(C)CCN(C)CCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000623087830 399324757 /nfs/dbraw/zinc/32/47/57/399324757.db2.gz KIXRBCYBBTXCFD-UHFFFAOYSA-N 1 3 323.447 2.828 20 0 DFADHO CCc1noc(CC)c1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000294083532 223840791 /nfs/dbraw/zinc/84/07/91/223840791.db2.gz ALKJBDGQUXVJBZ-UHFFFAOYSA-N 1 3 314.433 2.953 20 0 DFADHO CC1(C)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000284449716 218032321 /nfs/dbraw/zinc/03/23/21/218032321.db2.gz SLNXRSJVABZHPA-SFHVURJKSA-N 1 3 302.462 2.922 20 0 DFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000105441880 194104022 /nfs/dbraw/zinc/10/40/22/194104022.db2.gz CUQJNJBNMUQMGF-RYRKJORJSA-N 1 3 319.493 2.766 20 0 DFADHO C[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2sccc2C1 ZINC000623347624 399368981 /nfs/dbraw/zinc/36/89/81/399368981.db2.gz GEAZEJPFWRCMEX-HOCLYGCPSA-N 1 3 321.534 2.957 20 0 DFADHO C[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2sccc2C1 ZINC000623347624 399368985 /nfs/dbraw/zinc/36/89/85/399368985.db2.gz GEAZEJPFWRCMEX-HOCLYGCPSA-N 1 3 321.534 2.957 20 0 DFADHO CN(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623370439 399374425 /nfs/dbraw/zinc/37/44/25/399374425.db2.gz KAVVDHMBBCFDEJ-ZWKOTPCHSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)C[C@@H](Cc1ccccc1)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623370439 399374426 /nfs/dbraw/zinc/37/44/26/399374426.db2.gz KAVVDHMBBCFDEJ-ZWKOTPCHSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)C[C@@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623370439 399374427 /nfs/dbraw/zinc/37/44/27/399374427.db2.gz KAVVDHMBBCFDEJ-ZWKOTPCHSA-N 1 3 303.494 2.622 20 0 DFADHO CC[C@H]([NH2+]CC[C@H](N)Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000602018358 399385222 /nfs/dbraw/zinc/38/52/22/399385222.db2.gz AOAXATATUWUHAG-IRXDYDNUSA-N 1 3 318.461 2.658 20 0 DFADHO CC[C@H](NCC[C@H]([NH3+])Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000602018358 399385227 /nfs/dbraw/zinc/38/52/27/399385227.db2.gz AOAXATATUWUHAG-IRXDYDNUSA-N 1 3 318.461 2.658 20 0 DFADHO Cn1c(CCN[C@@H]2CC[N@H+](C)C(C)(C)C2)nc2cc(F)ccc21 ZINC000623425935 399386751 /nfs/dbraw/zinc/38/67/51/399386751.db2.gz VIVIYEAZLZJEHI-CQSZACIVSA-N 1 3 318.440 2.717 20 0 DFADHO Cn1c(CCN[C@@H]2CC[N@@H+](C)C(C)(C)C2)nc2cc(F)ccc21 ZINC000623425935 399386754 /nfs/dbraw/zinc/38/67/54/399386754.db2.gz VIVIYEAZLZJEHI-CQSZACIVSA-N 1 3 318.440 2.717 20 0 DFADHO C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)N(C)C1CC1 ZINC000268835004 207000686 /nfs/dbraw/zinc/00/06/86/207000686.db2.gz AWJVHINBUGDYNN-FUHIMQAGSA-N 1 3 315.505 2.969 20 0 DFADHO COc1cc(NCCN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc(OC)c1 ZINC000623470634 399396643 /nfs/dbraw/zinc/39/66/43/399396643.db2.gz UKJVLQVNNOWUTB-CQSZACIVSA-N 1 3 321.465 2.578 20 0 DFADHO COc1cc(NCCN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1 ZINC000623470634 399396647 /nfs/dbraw/zinc/39/66/47/399396647.db2.gz UKJVLQVNNOWUTB-CQSZACIVSA-N 1 3 321.465 2.578 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1ccn(-c2ccccc2)n1 ZINC000268887915 207057199 /nfs/dbraw/zinc/05/71/99/207057199.db2.gz XOEAYZZJSPTGQH-MDZRGWNJSA-N 1 3 312.461 2.733 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1ccn(-c2ccccc2)n1 ZINC000268887915 207057203 /nfs/dbraw/zinc/05/72/03/207057203.db2.gz XOEAYZZJSPTGQH-MDZRGWNJSA-N 1 3 312.461 2.733 20 0 DFADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)[C@@H](C)OC)CC2)cc1 ZINC000268879311 207048639 /nfs/dbraw/zinc/04/86/39/207048639.db2.gz FGNGNUNVUMEYGG-HZPDHXFCSA-N 1 3 320.477 2.920 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623484968 399399801 /nfs/dbraw/zinc/39/98/01/399399801.db2.gz JBMAHAJTQGCWRQ-AEFFLSMTSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623484968 399399802 /nfs/dbraw/zinc/39/98/02/399399802.db2.gz JBMAHAJTQGCWRQ-AEFFLSMTSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623484968 399399804 /nfs/dbraw/zinc/39/98/04/399399804.db2.gz JBMAHAJTQGCWRQ-AEFFLSMTSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cccc(OCCN(C)C)c1 ZINC000268895627 207064347 /nfs/dbraw/zinc/06/43/47/207064347.db2.gz PAXTXTXBISOWJQ-JCGIZDLHSA-N 1 3 306.450 2.581 20 0 DFADHO CC(C)(CN[C@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422705521 296319138 /nfs/dbraw/zinc/31/91/38/296319138.db2.gz RTZIQLXVFQURII-SFHVURJKSA-N 1 3 301.478 2.555 20 0 DFADHO C[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])N1CCc2sccc2C1 ZINC000422707589 296319261 /nfs/dbraw/zinc/31/92/61/296319261.db2.gz AMYNXHBRSBOMAF-KBMXLJTQSA-N 1 3 307.507 2.744 20 0 DFADHO CCCCN(C)CCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422706640 296319287 /nfs/dbraw/zinc/31/92/87/296319287.db2.gz FQLMHVWFMVQQEK-OALUTQOASA-N 1 3 319.493 2.810 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422706944 296319355 /nfs/dbraw/zinc/31/93/55/296319355.db2.gz VHWIGAOGXURHNZ-FZMZJTMJSA-N 1 3 315.230 2.848 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1cc(Br)ccc1F ZINC000422706944 296319356 /nfs/dbraw/zinc/31/93/56/296319356.db2.gz VHWIGAOGXURHNZ-FZMZJTMJSA-N 1 3 315.230 2.848 20 0 DFADHO CC(=O)Nc1ccc(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422708692 296319418 /nfs/dbraw/zinc/31/94/18/296319418.db2.gz CGPFMUFUPKHYOW-OALUTQOASA-N 1 3 309.413 2.922 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422714449 296320493 /nfs/dbraw/zinc/32/04/93/296320493.db2.gz RARAVYOFGVOOBV-FCGDIQPGSA-N 1 3 319.468 2.939 20 0 DFADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422709776 296319939 /nfs/dbraw/zinc/31/99/39/296319939.db2.gz FBGBEHRQFQJEBT-OQIJWPOYSA-N 1 3 302.462 2.927 20 0 DFADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422712919 296320000 /nfs/dbraw/zinc/32/00/00/296320000.db2.gz IXSWWVUTXAQXJO-OQIJWPOYSA-N 1 3 313.489 2.948 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)N1CCc2ccccc2C1 ZINC000422711887 296320081 /nfs/dbraw/zinc/32/00/81/296320081.db2.gz HQFAORKSQWIOKK-HHXXYDBFSA-N 1 3 301.478 2.540 20 0 DFADHO C[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422711887 296320083 /nfs/dbraw/zinc/32/00/83/296320083.db2.gz HQFAORKSQWIOKK-HHXXYDBFSA-N 1 3 301.478 2.540 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc2c(c1)CCCC2 ZINC000268955445 207119296 /nfs/dbraw/zinc/11/92/96/207119296.db2.gz DIRGUNFOXOZEAB-HNNXBMFYSA-N 1 3 302.462 2.673 20 0 DFADHO Cn1c2ccccc2cc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1=O ZINC000623530743 399409742 /nfs/dbraw/zinc/40/97/42/399409742.db2.gz LPJHTIPPXIMBPL-INIZCTEOSA-N 1 3 313.445 2.501 20 0 DFADHO CCC(CC)C(=O)N1CCC(N[C@@H](CC)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422723526 296321825 /nfs/dbraw/zinc/32/18/25/296321825.db2.gz RRYSJUPAIKZZGB-ROUUACIJSA-N 1 3 323.525 2.924 20 0 DFADHO CN(C)C[C@H](Cc1ccccc1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422719951 296321303 /nfs/dbraw/zinc/32/13/03/296321303.db2.gz RSBONDJPZRHGDJ-DBVUQKKJSA-N 1 3 309.457 2.894 20 0 DFADHO C[C@H](C[C@H](C)N)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422725315 296322185 /nfs/dbraw/zinc/32/21/85/296322185.db2.gz XWWYRGQZPGCXKS-QWHCGFSZSA-N 1 3 311.420 2.645 20 0 DFADHO C[C@H](NC[C@@H](c1ccccc1)N1CCC(C)CC1)C1C[NH2+]C1 ZINC000422730427 296322926 /nfs/dbraw/zinc/32/29/26/296322926.db2.gz DXSASQVKVVUYLZ-LPHOPBHVSA-N 1 3 301.478 2.657 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+](C)Cc1cccc2nsnc21 ZINC000268985594 207144554 /nfs/dbraw/zinc/14/45/54/207144554.db2.gz FOGUISQLLIOVJA-CQSZACIVSA-N 1 3 304.463 2.998 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+](C)Cc1cccc2nsnc21 ZINC000268985594 207144556 /nfs/dbraw/zinc/14/45/56/207144556.db2.gz FOGUISQLLIOVJA-CQSZACIVSA-N 1 3 304.463 2.998 20 0 DFADHO CCc1ccc([C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000422729473 296322775 /nfs/dbraw/zinc/32/27/75/296322775.db2.gz IDWGLGIKUQBFEL-QYZOEREBSA-N 1 3 303.494 2.959 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1cccs1)N1CCCC1 ZINC000422731444 296323088 /nfs/dbraw/zinc/32/30/88/296323088.db2.gz LRVWARKICLOGSJ-OAGGEKHMSA-N 1 3 307.507 2.863 20 0 DFADHO COc1cccc([C@H](C[NH2+][C@H]2CCCCC[C@@H]2N)N(C)C)c1 ZINC000422733760 296323500 /nfs/dbraw/zinc/32/35/00/296323500.db2.gz ROQHDBSFUISVQL-BZSNNMDCSA-N 1 3 305.466 2.548 20 0 DFADHO COc1cccc([C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])N(C)C)c1 ZINC000422733760 296323502 /nfs/dbraw/zinc/32/35/02/296323502.db2.gz ROQHDBSFUISVQL-BZSNNMDCSA-N 1 3 305.466 2.548 20 0 DFADHO Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2CCCCN(C)C2)o1 ZINC000623656822 399436428 /nfs/dbraw/zinc/43/64/28/399436428.db2.gz CPHAVEWISYNDTF-OAHLLOKOSA-N 1 3 316.449 2.810 20 0 DFADHO COC(=O)c1oc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000611140167 399438187 /nfs/dbraw/zinc/43/81/87/399438187.db2.gz RPXRYTDLUSTOEP-OAHLLOKOSA-N 1 3 320.433 2.538 20 0 DFADHO Cn1cc(C[NH2+]C[C@@H]2CCCCN(C)C2)c(-c2cccs2)n1 ZINC000623657730 399438247 /nfs/dbraw/zinc/43/82/47/399438247.db2.gz XQDBKTVQOVXMNV-AWEZNQCLSA-N 1 3 318.490 2.970 20 0 DFADHO COC(=O)c1oc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000611140166 399438274 /nfs/dbraw/zinc/43/82/74/399438274.db2.gz RPXRYTDLUSTOEP-HNNXBMFYSA-N 1 3 320.433 2.538 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000269073040 207222084 /nfs/dbraw/zinc/22/20/84/207222084.db2.gz NDBCLUADJPFNPN-ZBFHGGJFSA-N 1 3 324.465 2.711 20 0 DFADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000063195090 184277572 /nfs/dbraw/zinc/27/75/72/184277572.db2.gz DAQLWBOAZSDVJU-WFASDCNBSA-N 1 3 309.841 2.870 20 0 DFADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000063195090 184277573 /nfs/dbraw/zinc/27/75/73/184277573.db2.gz DAQLWBOAZSDVJU-WFASDCNBSA-N 1 3 309.841 2.870 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000269138759 207269425 /nfs/dbraw/zinc/26/94/25/207269425.db2.gz YQOYSQAYSABZDX-RBUKOAKNSA-N 1 3 302.462 2.916 20 0 DFADHO CCOC(=O)c1ccc(CNCCCC[N@@H+]2CCC[C@H](C)C2)[nH]1 ZINC000602513259 399464954 /nfs/dbraw/zinc/46/49/54/399464954.db2.gz FJOJKIAVLPIMFQ-HNNXBMFYSA-N 1 3 321.465 2.793 20 0 DFADHO CCOC(=O)c1ccc(CNCCCC[N@H+]2CCC[C@H](C)C2)[nH]1 ZINC000602513259 399464957 /nfs/dbraw/zinc/46/49/57/399464957.db2.gz FJOJKIAVLPIMFQ-HNNXBMFYSA-N 1 3 321.465 2.793 20 0 DFADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)[nH]c1C ZINC000602513298 399465055 /nfs/dbraw/zinc/46/50/55/399465055.db2.gz FRIIEQZCELHOLM-CQSZACIVSA-N 1 3 321.465 2.711 20 0 DFADHO COC(=O)c1cc(CNCCCC[N@H+]2CCC[C@@H](C)C2)[nH]c1C ZINC000602513298 399465056 /nfs/dbraw/zinc/46/50/56/399465056.db2.gz FRIIEQZCELHOLM-CQSZACIVSA-N 1 3 321.465 2.711 20 0 DFADHO COc1ccc([C@H](NC[C@@H](C)N(C)C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422732685 296323545 /nfs/dbraw/zinc/32/35/45/296323545.db2.gz AGZUIQWGJOUJIN-CCKFTAQKSA-N 1 3 317.477 2.561 20 0 DFADHO CCN1CCC[C@H](N[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000422738524 296323980 /nfs/dbraw/zinc/32/39/80/296323980.db2.gz JOBAXRSLEQYDAQ-YTQUADARSA-N 1 3 317.477 2.562 20 0 DFADHO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000422737453 296324188 /nfs/dbraw/zinc/32/41/88/296324188.db2.gz IGMJSXCYDMCAMP-RSJGLCBASA-N 1 3 321.509 2.534 20 0 DFADHO COc1ccccc1[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])N1CCCC1 ZINC000422748586 296325782 /nfs/dbraw/zinc/32/57/82/296325782.db2.gz VEZJIGUZQNOSTF-NJAFHUGGSA-N 1 3 317.477 2.549 20 0 DFADHO c1cc2c(s1)CCN(CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422744868 296325253 /nfs/dbraw/zinc/32/52/53/296325253.db2.gz WRYKPXXAZVSNRH-GVDBMIGSSA-N 1 3 319.518 2.617 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422759738 296328156 /nfs/dbraw/zinc/32/81/56/296328156.db2.gz LGJWPLYDWFEUQJ-RCBQFDQVSA-N 1 3 312.454 2.650 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422756678 296327670 /nfs/dbraw/zinc/32/76/70/296327670.db2.gz HVQAUGSHTDECFX-OKZBNKHCSA-N 1 3 320.452 2.850 20 0 DFADHO CC[C@H](N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422761523 296328487 /nfs/dbraw/zinc/32/84/87/296328487.db2.gz MVQDVGBLZMHTKV-CEXWTWQISA-N 1 3 301.478 2.771 20 0 DFADHO COc1ccc([C@@H](CN[C@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000422760596 296328492 /nfs/dbraw/zinc/32/84/92/296328492.db2.gz QILPCFNZKBMEMK-PKOBYXMFSA-N 1 3 317.477 2.564 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422762354 296328775 /nfs/dbraw/zinc/32/87/75/296328775.db2.gz NRBQXNSBKGLZIX-AVGNSLFASA-N 1 3 313.392 2.582 20 0 DFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000358179050 296328794 /nfs/dbraw/zinc/32/87/94/296328794.db2.gz QVZBLAZDISFRGS-IDMDMSBLSA-N 1 3 321.509 2.663 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC2CCC(C(N)=O)CC2)CC1 ZINC000358179050 296328796 /nfs/dbraw/zinc/32/87/96/296328796.db2.gz QVZBLAZDISFRGS-IDMDMSBLSA-N 1 3 321.509 2.663 20 0 DFADHO COc1ccc([C@H](CN[C@H](C)C[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000422764194 296329279 /nfs/dbraw/zinc/32/92/79/296329279.db2.gz UWFDYSJMYDWVRX-DAYGRLMNSA-N 1 3 305.466 2.548 20 0 DFADHO CC[C@H]([NH2+]C1CCN(c2cccc(C)n2)CC1)[C@H]1CCCCN1 ZINC000422764757 296329446 /nfs/dbraw/zinc/32/94/46/296329446.db2.gz QFMXKJFBLGZBHB-ZWKOTPCHSA-N 1 3 316.493 2.869 20 0 DFADHO CC[C@H](NC1CCN(c2cccc(C)n2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422764757 296329447 /nfs/dbraw/zinc/32/94/47/296329447.db2.gz QFMXKJFBLGZBHB-ZWKOTPCHSA-N 1 3 316.493 2.869 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000422769231 296329912 /nfs/dbraw/zinc/32/99/12/296329912.db2.gz VIWCFEPBUJFJGD-IRXDYDNUSA-N 1 3 305.441 2.835 20 0 DFADHO c1ccc(SCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422768744 296330109 /nfs/dbraw/zinc/33/01/09/296330109.db2.gz NZZVFJUCHAWJAP-IXDOHACOSA-N 1 3 306.475 2.525 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422771102 296330292 /nfs/dbraw/zinc/33/02/92/296330292.db2.gz XQHNWCWJMNJELE-PBHICJAKSA-N 1 3 306.425 2.591 20 0 DFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCn1cnc2ccccc21 ZINC000422772829 296330658 /nfs/dbraw/zinc/33/06/58/296330658.db2.gz ZQMRWHUBDQWGHJ-CRAIPNDOSA-N 1 3 308.429 2.584 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000422773206 296330661 /nfs/dbraw/zinc/33/06/61/296330661.db2.gz ZLVVCIDBQLBQAH-UAGQMJEPSA-N 1 3 317.502 2.899 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](c1cccs1)N(C)C ZINC000422773206 296330662 /nfs/dbraw/zinc/33/06/62/296330662.db2.gz ZLVVCIDBQLBQAH-UAGQMJEPSA-N 1 3 317.502 2.899 20 0 DFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)N1CCC(C)CC1 ZINC000422779811 296331594 /nfs/dbraw/zinc/33/15/94/296331594.db2.gz IXMGZEAADJSNKX-ZHALLVOQSA-N 1 3 303.494 2.655 20 0 DFADHO C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N)N1CCC(C)CC1 ZINC000422779797 296331735 /nfs/dbraw/zinc/33/17/35/296331735.db2.gz IXMGZEAADJSNKX-AOIWGVFYSA-N 1 3 303.494 2.655 20 0 DFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422787862 296333032 /nfs/dbraw/zinc/33/30/32/296333032.db2.gz AGUCPEFRWKQYMV-ZYRRHWMLSA-N 1 3 324.415 2.815 20 0 DFADHO CCN(CC)[C@H](CN[C@H](C)C[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000422793496 296333617 /nfs/dbraw/zinc/33/36/17/296333617.db2.gz FPROJBNYBBIKQR-HDMKZQKVSA-N 1 3 307.482 2.794 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000422794833 296334090 /nfs/dbraw/zinc/33/40/90/296334090.db2.gz GYVQVPZKBZWIDT-IEBWSBKVSA-N 1 3 319.493 2.810 20 0 DFADHO Cc1nc(-c2ccc(CCN[C@@H](C)C3C[NH2+]C3)s2)cs1 ZINC000422794865 296334201 /nfs/dbraw/zinc/33/42/01/296334201.db2.gz HCEYLYXMKLIMFU-JTQLQIEISA-N 1 3 307.488 2.920 20 0 DFADHO Cc1nc(-c2ccc(CC[NH2+][C@@H](C)C3CNC3)s2)cs1 ZINC000422794865 296334202 /nfs/dbraw/zinc/33/42/02/296334202.db2.gz HCEYLYXMKLIMFU-JTQLQIEISA-N 1 3 307.488 2.920 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000422802447 296335495 /nfs/dbraw/zinc/33/54/95/296335495.db2.gz BMMASVNHRUGLEM-ASUPZPJHSA-N 1 3 308.388 2.697 20 0 DFADHO CC(C)C(=O)Nc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422798421 296334911 /nfs/dbraw/zinc/33/49/11/296334911.db2.gz QZXGIAZIIGYQPF-WBVHZDCISA-N 1 3 303.450 2.888 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000422797253 296334952 /nfs/dbraw/zinc/33/49/52/296334952.db2.gz LRWOZHABEDEBOU-ZLKJLUDKSA-N 1 3 302.340 2.547 20 0 DFADHO CCN(CC)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422798724 296335287 /nfs/dbraw/zinc/33/52/87/296335287.db2.gz SNRNFOCBMQLADV-KFKAGJAMSA-N 1 3 319.493 2.808 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422803029 296335869 /nfs/dbraw/zinc/33/58/69/296335869.db2.gz CHKGXAIMZKEERF-CGTJXYLNSA-N 1 3 302.462 2.840 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1cc(Cl)ccc1OC(F)F ZINC000422809019 296336933 /nfs/dbraw/zinc/33/69/33/296336933.db2.gz LRUCRKNGFIIHEC-LBPRGKRZSA-N 1 3 322.783 2.785 20 0 DFADHO CCN(CC)C(=O)c1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422807271 296336685 /nfs/dbraw/zinc/33/66/85/296336685.db2.gz JPPFGFSDERBZOM-ROUUACIJSA-N 1 3 317.477 2.776 20 0 DFADHO CCN(CC)C(=O)c1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422807269 296336745 /nfs/dbraw/zinc/33/67/45/296336745.db2.gz JPPFGFSDERBZOM-MSOLQXFVSA-N 1 3 317.477 2.776 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCN1CCc2ccccc2C1 ZINC000422812924 296337520 /nfs/dbraw/zinc/33/75/20/296337520.db2.gz YJZHYQXQWYIYGA-UWJYYQICSA-N 1 3 323.484 2.593 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CCc2ccccc2C1 ZINC000422812924 296337521 /nfs/dbraw/zinc/33/75/21/296337521.db2.gz YJZHYQXQWYIYGA-UWJYYQICSA-N 1 3 323.484 2.593 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422817249 296338824 /nfs/dbraw/zinc/33/88/24/296338824.db2.gz HCIFEJWVMBANEQ-DZGCQCFKSA-N 1 3 321.431 2.629 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422817254 296338836 /nfs/dbraw/zinc/33/88/36/296338836.db2.gz HCIFEJWVMBANEQ-UKRRQHHQSA-N 1 3 321.431 2.629 20 0 DFADHO c1cnn(-c2ccc(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000422819206 296339046 /nfs/dbraw/zinc/33/90/46/296339046.db2.gz HPXGGGUUBVRDKG-ZCNNSNEGSA-N 1 3 324.472 2.925 20 0 DFADHO c1cnn(-c2ccc(CCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000422819203 296339064 /nfs/dbraw/zinc/33/90/64/296339064.db2.gz HPXGGGUUBVRDKG-AQNXPRMDSA-N 1 3 324.472 2.925 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422819886 296339206 /nfs/dbraw/zinc/33/92/06/296339206.db2.gz JFYMESKPERIKQT-UKRRQHHQSA-N 1 3 304.434 2.671 20 0 DFADHO CC(C)(CN[C@H]1CCCCC[C@H]1[NH3+])c1ccc2c(c1)OCO2 ZINC000422823646 296339549 /nfs/dbraw/zinc/33/95/49/296339549.db2.gz MBKJONUQPSACKY-CABCVRRESA-N 1 3 304.434 2.943 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(COCC(F)(F)F)cc1 ZINC000422826655 296340003 /nfs/dbraw/zinc/34/00/03/296340003.db2.gz RGHGLWHZVVWDTG-HUUCEWRRSA-N 1 3 316.367 2.983 20 0 DFADHO c1ccc(NCCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000422831323 296341157 /nfs/dbraw/zinc/34/11/57/296341157.db2.gz DRFUFRYHCIYQDG-YESZJQIVSA-N 1 3 302.466 2.784 20 0 DFADHO c1ccc(NCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)nc1 ZINC000422831323 296341158 /nfs/dbraw/zinc/34/11/58/296341158.db2.gz DRFUFRYHCIYQDG-YESZJQIVSA-N 1 3 302.466 2.784 20 0 DFADHO Cc1ccc([C@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422826728 296340280 /nfs/dbraw/zinc/34/02/80/296340280.db2.gz LYLIHVUDRVMDNV-UHOSZYNNSA-N 1 3 301.478 2.862 20 0 DFADHO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC000631846251 399508034 /nfs/dbraw/zinc/50/80/34/399508034.db2.gz WXXPFNYYUGVBSM-KUHUBIRLSA-N 1 3 321.428 2.898 20 0 DFADHO C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC000631846251 399508039 /nfs/dbraw/zinc/50/80/39/399508039.db2.gz WXXPFNYYUGVBSM-KUHUBIRLSA-N 1 3 321.428 2.898 20 0 DFADHO C[C@@H](NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834949 296341884 /nfs/dbraw/zinc/34/18/84/296341884.db2.gz HZWQVDBPUJQBGD-VYDXJSESSA-N 1 3 307.507 2.690 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422834616 296341911 /nfs/dbraw/zinc/34/19/11/296341911.db2.gz ZVUJSDLXXACFJK-ZBFHGGJFSA-N 1 3 318.461 2.713 20 0 DFADHO COc1ccccc1N1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000422841034 296342717 /nfs/dbraw/zinc/34/27/17/296342717.db2.gz VBRKYLKKMSWUAY-WBVHZDCISA-N 1 3 317.477 2.771 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422843093 296343133 /nfs/dbraw/zinc/34/31/33/296343133.db2.gz GYWHTQXBAALMAZ-WMZOPIPTSA-N 1 3 302.462 2.842 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC(=O)NCc1ccccc1 ZINC000422848472 296344222 /nfs/dbraw/zinc/34/42/22/296344222.db2.gz TYALUZWGDDTHGU-SJLPKXTDSA-N 1 3 317.477 2.593 20 0 DFADHO C[C@H](CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422853346 296345352 /nfs/dbraw/zinc/34/53/52/296345352.db2.gz SAODVYHIFGUDME-OQIJWPOYSA-N 1 3 302.462 2.927 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000422859643 296346264 /nfs/dbraw/zinc/34/62/64/296346264.db2.gz KOCYLIPBYKPGCT-STQMWFEESA-N 1 3 309.841 2.565 20 0 DFADHO COCc1cccc(OCC2(C[N@@H+]3C[C@H](N)C[C@H]3C)CCC2)c1 ZINC000631860927 399511736 /nfs/dbraw/zinc/51/17/36/399511736.db2.gz ROSKPQRGWIAEBU-NVXWUHKLSA-N 1 3 318.461 2.804 20 0 DFADHO COCc1cccc(OCC2(C[N@H+]3C[C@H](N)C[C@H]3C)CCC2)c1 ZINC000631860927 399511739 /nfs/dbraw/zinc/51/17/39/399511739.db2.gz ROSKPQRGWIAEBU-NVXWUHKLSA-N 1 3 318.461 2.804 20 0 DFADHO CC[C@H](N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422879651 296349326 /nfs/dbraw/zinc/34/93/26/296349326.db2.gz VVJPCLYEIAVLRK-BVBHFADKSA-N 1 3 301.478 2.770 20 0 DFADHO C[C@H](N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422873756 296348518 /nfs/dbraw/zinc/34/85/18/296348518.db2.gz MBFOMZVZAUHZIA-CAMMJAKZSA-N 1 3 301.478 2.770 20 0 DFADHO C[C@H]1C[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)CN1Cc1ccccc1 ZINC000422875573 296348806 /nfs/dbraw/zinc/34/88/06/296348806.db2.gz PFRLDJJEACABJC-JFRXWTBNSA-N 1 3 301.478 2.627 20 0 DFADHO Cc1ccccc1C1(C[NH2+][C@H]2CCCNCC2)CCOCC1 ZINC000422883224 296350074 /nfs/dbraw/zinc/35/00/74/296350074.db2.gz UMTUURXGHVSYQV-KRWDZBQOSA-N 1 3 302.462 2.775 20 0 DFADHO Cc1ccccc1C1(CN[C@H]2CCC[NH2+]CC2)CCOCC1 ZINC000422883224 296350076 /nfs/dbraw/zinc/35/00/76/296350076.db2.gz UMTUURXGHVSYQV-KRWDZBQOSA-N 1 3 302.462 2.775 20 0 DFADHO Cc1nc(C)c(CCN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])s1 ZINC000422885596 296350524 /nfs/dbraw/zinc/35/05/24/296350524.db2.gz HCTOTYNRRIBMEI-WBMJQRKESA-N 1 3 303.475 2.851 20 0 DFADHO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+][C@H](C)C2CNC2)C1 ZINC000422881601 296349861 /nfs/dbraw/zinc/34/98/61/296349861.db2.gz QQPWVPVKWHWEST-KGLIPLIRSA-N 1 3 307.869 2.672 20 0 DFADHO Cc1nc(C)c(CCN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])s1 ZINC000422885595 296350672 /nfs/dbraw/zinc/35/06/72/296350672.db2.gz HCTOTYNRRIBMEI-MLGOLLRUSA-N 1 3 303.475 2.851 20 0 DFADHO CC1CCN(c2ccc(CN[C@@H]3CCC[C@@H]3C[NH3+])cn2)CC1 ZINC000422886952 296350921 /nfs/dbraw/zinc/35/09/21/296350921.db2.gz AENJUKGZJKSHJP-IAGOWNOFSA-N 1 3 302.466 2.535 20 0 DFADHO COc1cccc(N2CC[C@H](CN[C@@H](C)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422899816 296352723 /nfs/dbraw/zinc/35/27/23/296352723.db2.gz IGZQBYHTSXWDIU-FCEWJHQRSA-N 1 3 317.477 2.642 20 0 DFADHO C[C@@H](NC[C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422902672 296353474 /nfs/dbraw/zinc/35/34/74/296353474.db2.gz UXUMDLNGNJFPSF-RKVPGOIHSA-N 1 3 305.441 2.772 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1nc(-c2ccncc2)cs1 ZINC000422914593 296355336 /nfs/dbraw/zinc/35/53/36/296355336.db2.gz UVZWDZMJSMKGGS-ZFWWWQNUSA-N 1 3 316.474 2.725 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422910855 296355083 /nfs/dbraw/zinc/35/50/83/296355083.db2.gz RPWXUGRYWZDVND-MELADBBJSA-N 1 3 311.420 2.645 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422910855 296355085 /nfs/dbraw/zinc/35/50/85/296355085.db2.gz RPWXUGRYWZDVND-MELADBBJSA-N 1 3 311.420 2.645 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930128 296356794 /nfs/dbraw/zinc/35/67/94/296356794.db2.gz SGWVJIRYORXFPE-HIFRSBDPSA-N 1 3 324.852 2.761 20 0 DFADHO CC[C@@H](NCCCc1ccc2c(c1)OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000422929640 296356818 /nfs/dbraw/zinc/35/68/18/296356818.db2.gz QVQSGHSTBPSQBE-SJORKVTESA-N 1 3 318.461 2.901 20 0 DFADHO Cc1cccc(NCCN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000422924105 296356218 /nfs/dbraw/zinc/35/62/18/296356218.db2.gz XQPYIRXIVWSOHT-MSOLQXFVSA-N 1 3 310.445 2.885 20 0 DFADHO CC(C)c1noc(CCC[NH2+][C@H]2C[C@@H](N)c3ccccc32)n1 ZINC000422938094 296358056 /nfs/dbraw/zinc/35/80/56/296358056.db2.gz PIOYIXUIUMBWIR-CABCVRRESA-N 1 3 300.406 2.860 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000422942524 296358696 /nfs/dbraw/zinc/35/86/96/296358696.db2.gz KPHIHPOFWAVPPC-IUODEOHRSA-N 1 3 309.841 2.646 20 0 DFADHO Fc1ccc(CCN[C@H]2CCC[NH2+]CC2)cc1Br ZINC000422943267 296358759 /nfs/dbraw/zinc/35/87/59/296358759.db2.gz XUJOYLJJQXTSDH-LBPRGKRZSA-N 1 3 315.230 2.862 20 0 DFADHO Fc1ccc(CC[NH2+][C@H]2CCCNCC2)cc1Br ZINC000422943267 296358761 /nfs/dbraw/zinc/35/87/61/296358761.db2.gz XUJOYLJJQXTSDH-LBPRGKRZSA-N 1 3 315.230 2.862 20 0 DFADHO Clc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000422946998 296359204 /nfs/dbraw/zinc/35/92/04/296359204.db2.gz XPFSDGNKQKDPNB-MELADBBJSA-N 1 3 314.882 2.691 20 0 DFADHO COc1ccc(OCCC[N@@H+]2CCC[C@@H]3CNCC[C@H]32)cc1 ZINC000631887298 399519842 /nfs/dbraw/zinc/51/98/42/399519842.db2.gz QDYPAQLGTYDTNW-CRAIPNDOSA-N 1 3 304.434 2.538 20 0 DFADHO COc1ccc(OCCC[N@H+]2CCC[C@@H]3CNCC[C@H]32)cc1 ZINC000631887298 399519846 /nfs/dbraw/zinc/51/98/46/399519846.db2.gz QDYPAQLGTYDTNW-CRAIPNDOSA-N 1 3 304.434 2.538 20 0 DFADHO COc1ccc(OCCC[N@@H+]2CCC[C@@H]3CNCC[C@@H]32)cc1 ZINC000631887303 399519972 /nfs/dbraw/zinc/51/99/72/399519972.db2.gz QDYPAQLGTYDTNW-QAPCUYQASA-N 1 3 304.434 2.538 20 0 DFADHO COc1ccc(OCCC[N@H+]2CCC[C@@H]3CNCC[C@@H]32)cc1 ZINC000631887303 399519973 /nfs/dbraw/zinc/51/99/73/399519973.db2.gz QDYPAQLGTYDTNW-QAPCUYQASA-N 1 3 304.434 2.538 20 0 DFADHO Fc1ccc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000422951986 296359990 /nfs/dbraw/zinc/35/99/90/296359990.db2.gz BDZDBENILMQXAA-XKQJLSEDSA-N 1 3 310.388 2.854 20 0 DFADHO C[C@H](Nc1cccc(CN2CCSCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422958941 296361063 /nfs/dbraw/zinc/36/10/63/296361063.db2.gz ZPUSFXFEAQQBIB-YOEHRIQHSA-N 1 3 305.491 2.788 20 0 DFADHO CCc1noc(-c2ccc(CCN[C@H](C)C[C@H](C)[NH3+])cc2)n1 ZINC000422960533 296361322 /nfs/dbraw/zinc/36/13/22/296361322.db2.gz WUNILGXVGJLMQR-QWHCGFSZSA-N 1 3 302.422 2.557 20 0 DFADHO CCc1noc(-c2ccc(CC[NH2+][C@H](C)C[C@H](C)N)cc2)n1 ZINC000422960533 296361323 /nfs/dbraw/zinc/36/13/23/296361323.db2.gz WUNILGXVGJLMQR-QWHCGFSZSA-N 1 3 302.422 2.557 20 0 DFADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2ccc(C)o2)CC[NH2+]CC1 ZINC000422961912 296361497 /nfs/dbraw/zinc/36/14/97/296361497.db2.gz DFWFRTXWTPHKMR-KGLIPLIRSA-N 1 3 308.422 2.560 20 0 DFADHO CC[C@H](C[NH2+][C@H]1CCN[C@H](c2ccccc2)C1)N1CCCC1 ZINC000422961370 296361507 /nfs/dbraw/zinc/36/15/07/296361507.db2.gz BLUNGACYFYDSOG-OTWHNJEPSA-N 1 3 301.478 2.944 20 0 DFADHO c1ccc(C2CC(N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422962996 296361605 /nfs/dbraw/zinc/36/16/05/296361605.db2.gz DYMZFOOMRASONM-ADXGEFSYSA-N 1 3 300.446 2.679 20 0 DFADHO c1cn2c(n1)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CCC2 ZINC000422963686 296361814 /nfs/dbraw/zinc/36/18/14/296361814.db2.gz GKHZFKZWEXXBFZ-MWDXBVQZSA-N 1 3 302.466 2.661 20 0 DFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccccc1-n1ccnc1 ZINC000422965369 296362120 /nfs/dbraw/zinc/36/21/20/296362120.db2.gz KXEXSGHXMQVEFR-APWZRJJASA-N 1 3 320.440 2.920 20 0 DFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000422965369 296362121 /nfs/dbraw/zinc/36/21/21/296362121.db2.gz KXEXSGHXMQVEFR-APWZRJJASA-N 1 3 320.440 2.920 20 0 DFADHO Brc1cccc(NCCN[C@H]2CCC[NH2+]CC2)c1 ZINC000422967374 296362800 /nfs/dbraw/zinc/36/28/00/296362800.db2.gz SVPNNYSIZSINLK-ZDUSSCGKSA-N 1 3 312.255 2.593 20 0 DFADHO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]1CCCCN1 ZINC000422970723 296363006 /nfs/dbraw/zinc/36/30/06/296363006.db2.gz WTTRWQPFFIZOHE-BXWFABGCSA-N 1 3 316.493 2.727 20 0 DFADHO C[C@H](NC1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422970723 296363007 /nfs/dbraw/zinc/36/30/07/296363007.db2.gz WTTRWQPFFIZOHE-BXWFABGCSA-N 1 3 316.493 2.727 20 0 DFADHO Oc1ccccc1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422975734 296363370 /nfs/dbraw/zinc/36/33/70/296363370.db2.gz UAOMGIKCRWGBME-FXAWDEMLSA-N 1 3 324.424 2.780 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000422976445 296363501 /nfs/dbraw/zinc/36/35/01/296363501.db2.gz DEZFZBLVNUNEOB-WDEREUQCSA-N 1 3 308.813 2.648 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](CCO)C1CCCCC1 ZINC000422990089 296364564 /nfs/dbraw/zinc/36/45/64/296364564.db2.gz BMLKPEZSLQPZKW-KDOFPFPSSA-N 1 3 305.466 2.831 20 0 DFADHO Cn1nnc2cc(CN3CCC(CCC[NH+](C)C)CC3)ccc21 ZINC000347572331 285084074 /nfs/dbraw/zinc/08/40/74/285084074.db2.gz SQPCCODPOMFJQK-UHFFFAOYSA-N 1 3 315.465 2.522 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994773 296364941 /nfs/dbraw/zinc/36/49/41/296364941.db2.gz WDVPZWBODWCLCO-XQQFMLRXSA-N 1 3 318.383 2.572 20 0 DFADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994773 296364942 /nfs/dbraw/zinc/36/49/42/296364942.db2.gz WDVPZWBODWCLCO-XQQFMLRXSA-N 1 3 318.383 2.572 20 0 DFADHO C[C@H]1CCNC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423002486 296365787 /nfs/dbraw/zinc/36/57/87/296365787.db2.gz JJHJOAVFVMRRAH-SWLSCSKDSA-N 1 3 316.367 2.853 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(COCC(F)(F)F)c1 ZINC000423005343 296366234 /nfs/dbraw/zinc/36/62/34/296366234.db2.gz RNPPSIHZAQMVCH-HUUCEWRRSA-N 1 3 316.367 2.983 20 0 DFADHO CC1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000423017869 296368045 /nfs/dbraw/zinc/36/80/45/296368045.db2.gz PRJMLAFKRYUCHX-GBESFXJTSA-N 1 3 314.473 2.538 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000423012821 296367342 /nfs/dbraw/zinc/36/73/42/296367342.db2.gz LNWHJWRAQAXNCZ-YSSFQJQWSA-N 1 3 324.472 2.945 20 0 DFADHO CC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCO1 ZINC000423011237 296367405 /nfs/dbraw/zinc/36/74/05/296367405.db2.gz IIFWWSPWJAHWPZ-QFHJOOASSA-N 1 3 316.445 2.790 20 0 DFADHO Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000423021999 296369003 /nfs/dbraw/zinc/36/90/03/296369003.db2.gz DINVRLWNXWIQIC-OTWHNJEPSA-N 1 3 317.477 2.626 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)[C@@H]1CCCCN1 ZINC000423018342 296368565 /nfs/dbraw/zinc/36/85/65/296368565.db2.gz YOYLKJLXUOWGTK-UXLLHSPISA-N 1 3 305.441 2.915 20 0 DFADHO CCC(CC)(CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C(=O)OC ZINC000423039323 296370582 /nfs/dbraw/zinc/37/05/82/296370582.db2.gz QIHZVGKHOUCPEY-BZUAXINKSA-N 1 3 310.482 2.866 20 0 DFADHO C[C@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CC[NH2+]C1 ZINC000423038626 296370611 /nfs/dbraw/zinc/37/06/11/296370611.db2.gz DDZPNOPBFVTUOJ-AVGNSLFASA-N 1 3 311.832 2.645 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423048171 296371510 /nfs/dbraw/zinc/37/15/10/296371510.db2.gz HSTAIUBEOFGQJE-CXAGYDPISA-N 1 3 303.425 2.838 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423050023 296371879 /nfs/dbraw/zinc/37/18/79/296371879.db2.gz LBKYWULSYRZNOE-RBSFLKMASA-N 1 3 315.383 2.778 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1N)c1cccc(C(F)(F)F)c1 ZINC000423050023 296371880 /nfs/dbraw/zinc/37/18/80/296371880.db2.gz LBKYWULSYRZNOE-RBSFLKMASA-N 1 3 315.383 2.778 20 0 DFADHO Cc1ccccc1C[C@H](CO)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423056140 296372918 /nfs/dbraw/zinc/37/29/18/296372918.db2.gz FDMPPQSVWZWFBQ-YTQUADARSA-N 1 3 304.478 2.799 20 0 DFADHO C[C@H](NC[C@@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423059357 296373262 /nfs/dbraw/zinc/37/32/62/296373262.db2.gz FKIDQLCDZVIJQG-IPELMVKDSA-N 1 3 301.478 2.627 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000423061129 296373633 /nfs/dbraw/zinc/37/36/33/296373633.db2.gz QFMXPGYROXZLHY-UJCHZGTJSA-N 1 3 302.462 2.740 20 0 DFADHO C[C@H](NCCc1cn(C)c2cc(Cl)ccc12)[C@H]1CC[NH2+]C1 ZINC000423063262 296373957 /nfs/dbraw/zinc/37/39/57/296373957.db2.gz OKRMHNNIGIFCIS-STQMWFEESA-N 1 3 305.853 2.962 20 0 DFADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423071722 296374835 /nfs/dbraw/zinc/37/48/35/296374835.db2.gz IBZNYAUGQZAOOE-INDMIFKZSA-N 1 3 320.452 2.630 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423083338 296376276 /nfs/dbraw/zinc/37/62/76/296376276.db2.gz FVNHFBSIGPPRKL-PPIXQQLYSA-N 1 3 306.425 2.804 20 0 DFADHO C[C@@H](O)[C@](C)(CN[C@H]1CC[NH2+]CC[C@H]1C)Cc1ccccc1 ZINC000423080464 296375855 /nfs/dbraw/zinc/37/58/55/296375855.db2.gz SOXDXFKZRPQZGX-FPAYPSAMSA-N 1 3 304.478 2.594 20 0 DFADHO C[C@@H](O)[C@](C)(C[NH2+][C@H]1CCNCC[C@H]1C)Cc1ccccc1 ZINC000423080464 296375857 /nfs/dbraw/zinc/37/58/57/296375857.db2.gz SOXDXFKZRPQZGX-FPAYPSAMSA-N 1 3 304.478 2.594 20 0 DFADHO Cc1cccc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423087018 296376704 /nfs/dbraw/zinc/37/67/04/296376704.db2.gz OPJOTUMFVYVVPS-UYAOXDASSA-N 1 3 323.440 2.778 20 0 DFADHO COCCCOc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000423099978 296378257 /nfs/dbraw/zinc/37/82/57/296378257.db2.gz GAYBOIPHENKINQ-ZWKOTPCHSA-N 1 3 306.450 2.852 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423102511 296378498 /nfs/dbraw/zinc/37/84/98/296378498.db2.gz WXWVIPGHGPZFCA-ZFWWWQNUSA-N 1 3 316.367 2.887 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423102508 296378539 /nfs/dbraw/zinc/37/85/39/296378539.db2.gz WXWVIPGHGPZFCA-DZGCQCFKSA-N 1 3 316.367 2.887 20 0 DFADHO Cc1ccccc1[C@H]1C[C@H](N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423106352 296379113 /nfs/dbraw/zinc/37/91/13/296379113.db2.gz RKCMMFDBWDNLKX-FLFBIERCSA-N 1 3 314.473 2.988 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NC1CC(c2cccc(Cl)c2)C1 ZINC000423113059 296380191 /nfs/dbraw/zinc/38/01/91/296380191.db2.gz YGHIFXGHUUQSSO-KDXVEUHBSA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000423113059 296380194 /nfs/dbraw/zinc/38/01/94/296380194.db2.gz YGHIFXGHUUQSSO-KDXVEUHBSA-N 1 3 308.853 2.928 20 0 DFADHO Cc1cc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc(N2CCCC2)n1 ZINC000423120899 296380613 /nfs/dbraw/zinc/38/06/13/296380613.db2.gz HTRNIIUYUCFSQU-IRXDYDNUSA-N 1 3 302.466 2.740 20 0 DFADHO CC(C)Cc1ccc([C@H](CNC2CC[NH2+]CC2)N(C)C)cc1 ZINC000423135939 296383091 /nfs/dbraw/zinc/38/30/91/296383091.db2.gz YKRJQJIOTUHBNO-IBGZPJMESA-N 1 3 303.494 2.829 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000423130832 296382391 /nfs/dbraw/zinc/38/23/91/296382391.db2.gz SFNIUBSAVPSKKH-UHOSZYNNSA-N 1 3 319.493 2.794 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423140694 296383768 /nfs/dbraw/zinc/38/37/68/296383768.db2.gz ZEIDKPJUFABWMX-RISCZKNCSA-N 1 3 301.356 2.750 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCc1cc(C(F)(F)F)ccn1 ZINC000423140694 296383769 /nfs/dbraw/zinc/38/37/69/296383769.db2.gz ZEIDKPJUFABWMX-RISCZKNCSA-N 1 3 301.356 2.750 20 0 DFADHO COCCOCc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000423142022 296383966 /nfs/dbraw/zinc/38/39/66/296383966.db2.gz SYWUUGQNIITMIQ-ZWKOTPCHSA-N 1 3 306.450 2.599 20 0 DFADHO Cc1cccc2c1OC[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423141392 296383736 /nfs/dbraw/zinc/38/37/36/296383736.db2.gz PQPZPZFLKUVYCQ-VSZNYVQBSA-N 1 3 300.446 2.809 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423140999 296383740 /nfs/dbraw/zinc/38/37/40/296383740.db2.gz NLBSPXATIPQEDZ-ZOBUZTSGSA-N 1 3 305.441 2.759 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000423147203 296384960 /nfs/dbraw/zinc/38/49/60/296384960.db2.gz CCYIRLFQYYWBEP-XHDPSFHLSA-N 1 3 300.805 2.965 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423147203 296384962 /nfs/dbraw/zinc/38/49/62/296384962.db2.gz CCYIRLFQYYWBEP-XHDPSFHLSA-N 1 3 300.805 2.965 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000423146678 296384623 /nfs/dbraw/zinc/38/46/23/296384623.db2.gz PYBPKVBHTHJHRV-NVULLMEXSA-N 1 3 310.388 2.684 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000423146679 296384696 /nfs/dbraw/zinc/38/46/96/296384696.db2.gz PYBPKVBHTHJHRV-NZTWZVSQSA-N 1 3 310.388 2.684 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000423146677 296384833 /nfs/dbraw/zinc/38/48/33/296384833.db2.gz PYBPKVBHTHJHRV-LIQONPQNSA-N 1 3 310.388 2.684 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000423152475 296385568 /nfs/dbraw/zinc/38/55/68/296385568.db2.gz FGFPGYCVHUYJFX-ABAIWWIYSA-N 1 3 300.805 2.836 20 0 DFADHO CSc1ccc([C@H](CN[C@@H](C)[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000423147637 296385158 /nfs/dbraw/zinc/38/51/58/296385158.db2.gz SLWGFOFHFIALKI-LXZKKBNFSA-N 1 3 307.507 2.599 20 0 DFADHO CO[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423156642 296386235 /nfs/dbraw/zinc/38/62/35/296386235.db2.gz LJAWIBFZCAEFKF-CADBVGFASA-N 1 3 302.462 2.754 20 0 DFADHO CC[C@H](C)[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)OC ZINC000423154782 296385749 /nfs/dbraw/zinc/38/57/49/296385749.db2.gz IJQHOZPMYOLMEO-QNDJGXFYSA-N 1 3 318.461 2.893 20 0 DFADHO Cc1ccc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000423160983 296386421 /nfs/dbraw/zinc/38/64/21/296386421.db2.gz IGBWUOKJOUIKDR-UYAOXDASSA-N 1 3 323.440 2.778 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423172196 296387719 /nfs/dbraw/zinc/38/77/19/296387719.db2.gz RTBQNWNDIRUAED-MTLGCJRHSA-N 1 3 312.816 2.677 20 0 DFADHO c1coc([C@@H]2C[C@H]2N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423173834 296388176 /nfs/dbraw/zinc/38/81/76/296388176.db2.gz AGCYKOWODWLACA-OAFZBRQQSA-N 1 3 310.397 2.981 20 0 DFADHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423181287 296388827 /nfs/dbraw/zinc/38/88/27/296388827.db2.gz OQFXVSGZOOLQCT-LBPRGKRZSA-N 1 3 316.276 2.939 20 0 DFADHO CC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H](O)C(C)C ZINC000423191948 296390492 /nfs/dbraw/zinc/39/04/92/296390492.db2.gz UFXSPQGGGSSSBT-NBMJBFSESA-N 1 3 318.461 2.627 20 0 DFADHO CCc1c2cc(C)ccc2oc1[C@H](C)NCCN1CC[NH2+]CC1 ZINC000423201723 296391860 /nfs/dbraw/zinc/39/18/60/296391860.db2.gz JESCQXJZLYLHQF-HNNXBMFYSA-N 1 3 315.461 2.859 20 0 DFADHO Fc1ccc([C@H](C[C@@H]2CCOC2)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423210596 296392731 /nfs/dbraw/zinc/39/27/31/296392731.db2.gz KBRJHDWLDGAJRB-DAYGRLMNSA-N 1 3 306.425 2.883 20 0 DFADHO Fc1ccc([C@H](C[C@H]2CCOC2)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000423210599 296392861 /nfs/dbraw/zinc/39/28/61/296392861.db2.gz KBRJHDWLDGAJRB-VKJFTORMSA-N 1 3 306.425 2.883 20 0 DFADHO Cc1nn(C)c2sc([C@H](C)N[C@H](C)[C@H]3CCC[NH2+]C3)cc12 ZINC000423211837 296392955 /nfs/dbraw/zinc/39/29/55/296392955.db2.gz HJUFGJJMVFORAP-WXHSDQCUSA-N 1 3 306.479 2.982 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000423222002 296394025 /nfs/dbraw/zinc/39/40/25/296394025.db2.gz ZBNFZLZVTDKFCH-UWWQBHOKSA-N 1 3 308.441 2.751 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423222002 296394026 /nfs/dbraw/zinc/39/40/26/296394026.db2.gz ZBNFZLZVTDKFCH-UWWQBHOKSA-N 1 3 308.441 2.751 20 0 DFADHO C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)[C@H]1CCCNC1 ZINC000423222038 296393974 /nfs/dbraw/zinc/39/39/74/296393974.db2.gz ZHSVJOHPUHYIRR-KGLIPLIRSA-N 1 3 323.431 2.911 20 0 DFADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC1([NH3+])CCOCC1 ZINC000629387996 399591004 /nfs/dbraw/zinc/59/10/04/399591004.db2.gz LTKPDTFBLGTNKO-LBPRGKRZSA-N 1 3 316.367 2.734 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000245886376 285194810 /nfs/dbraw/zinc/19/48/10/285194810.db2.gz CXUBIUBGQFROIJ-KZNAEPCWSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000423259512 296397701 /nfs/dbraw/zinc/39/77/01/296397701.db2.gz FCKGVNPNBLNCPY-QAPCUYQASA-N 1 3 317.477 2.925 20 0 DFADHO C[C@H]1CC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CN1 ZINC000629395732 399593048 /nfs/dbraw/zinc/59/30/48/399593048.db2.gz QLPXMIJYFHFRSH-HNAYVOBHSA-N 1 3 319.468 2.563 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@H]1CCc2cc(Br)ccc2C1 ZINC000423270705 296399319 /nfs/dbraw/zinc/39/93/19/296399319.db2.gz IDHYYVFDQPDMEE-ABAIWWIYSA-N 1 3 311.267 2.752 20 0 DFADHO CNC[C@@H](C)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423270705 296399320 /nfs/dbraw/zinc/39/93/20/296399320.db2.gz IDHYYVFDQPDMEE-ABAIWWIYSA-N 1 3 311.267 2.752 20 0 DFADHO [NH3+]CCCOCCNCc1c(OC(F)F)ccc2ccccc21 ZINC000629398008 399594166 /nfs/dbraw/zinc/59/41/66/399594166.db2.gz JINYWMDBQZNZBD-UHFFFAOYSA-N 1 3 324.371 2.896 20 0 DFADHO C[C@@H](CN)C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423299309 296402008 /nfs/dbraw/zinc/40/20/08/296402008.db2.gz BRNKLDYFDQJSPM-XHDPSFHLSA-N 1 3 311.267 2.955 20 0 DFADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000423299484 296401896 /nfs/dbraw/zinc/40/18/96/296401896.db2.gz BVMPALPTVWYNHI-KRWDZBQOSA-N 1 3 309.498 2.521 20 0 DFADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423318151 296403814 /nfs/dbraw/zinc/40/38/14/296403814.db2.gz CQPIZCOYSWNCLT-SJORKVTESA-N 1 3 319.493 2.805 20 0 DFADHO C[NH+](C)Cc1cccc(CNC(=O)[C@H](N)CC2CCCCC2)c1 ZINC000423336736 296406114 /nfs/dbraw/zinc/40/61/14/296406114.db2.gz YCALJYPNNUBSKD-GOSISDBHSA-N 1 3 317.477 2.662 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000423365997 296408835 /nfs/dbraw/zinc/40/88/35/296408835.db2.gz BIXWRAJJDZPFHQ-ZFWWWQNUSA-N 1 3 309.404 2.793 20 0 DFADHO CCCN1CCC([N@H+](C)CCOc2cccc(OC)c2)CC1 ZINC000154923289 197005727 /nfs/dbraw/zinc/00/57/27/197005727.db2.gz QAXWZTFAKJGNIX-UHFFFAOYSA-N 1 3 306.450 2.880 20 0 DFADHO CCCN1CCC([N@@H+](C)CCOc2cccc(OC)c2)CC1 ZINC000154923289 197005729 /nfs/dbraw/zinc/00/57/29/197005729.db2.gz QAXWZTFAKJGNIX-UHFFFAOYSA-N 1 3 306.450 2.880 20 0 DFADHO Cc1ccc([C@H](CCn2cncn2)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423382962 296411090 /nfs/dbraw/zinc/41/10/90/296411090.db2.gz KCPWNTDBYWJFFE-BZSNNMDCSA-N 1 3 313.449 2.577 20 0 DFADHO CC(C)C[C@H](C)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000347905932 285235578 /nfs/dbraw/zinc/23/55/78/285235578.db2.gz IPZLHNWGQIISOZ-SFHVURJKSA-N 1 3 318.509 2.866 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(OC)cc2)CC1 ZINC000154528964 196971891 /nfs/dbraw/zinc/97/18/91/196971891.db2.gz FXMPKJGDFKWODW-QGZVFWFLSA-N 1 3 319.493 2.764 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423407639 296413555 /nfs/dbraw/zinc/41/35/55/296413555.db2.gz WEDSDTQKGXMZCV-RLCCDNCMSA-N 1 3 323.278 2.894 20 0 DFADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCCO[C@H]2c2cn[nH]c2)CC1 ZINC000624240650 399610548 /nfs/dbraw/zinc/61/05/48/399610548.db2.gz PVBVVHHAKKSJKJ-WMLDXEAASA-N 1 3 320.481 2.730 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)CC1 ZINC000624240650 399610551 /nfs/dbraw/zinc/61/05/51/399610551.db2.gz PVBVVHHAKKSJKJ-WMLDXEAASA-N 1 3 320.481 2.730 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000357221100 285248309 /nfs/dbraw/zinc/24/83/09/285248309.db2.gz QMJFTFXXQSTSFO-FGTMMUONSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000357221100 285248312 /nfs/dbraw/zinc/24/83/12/285248312.db2.gz QMJFTFXXQSTSFO-FGTMMUONSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@H](NCCC(=O)N1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347940096 285258683 /nfs/dbraw/zinc/25/86/83/285258683.db2.gz XENLFRSMQURWND-IRXDYDNUSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](NCCC(=O)N1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347940096 285258686 /nfs/dbraw/zinc/25/86/86/285258686.db2.gz XENLFRSMQURWND-IRXDYDNUSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]([NH2+]CCC(=O)N1CCCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000347940096 285258688 /nfs/dbraw/zinc/25/86/88/285258688.db2.gz XENLFRSMQURWND-IRXDYDNUSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000120419085 195163122 /nfs/dbraw/zinc/16/31/22/195163122.db2.gz KMTUJKNTJIFCAB-OAHLLOKOSA-N 1 3 304.434 2.984 20 0 DFADHO c1ccc([C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cncnc2)cc1 ZINC000423541400 296428187 /nfs/dbraw/zinc/42/81/87/296428187.db2.gz KUJPWXZSJDNPAK-DKKFBQAASA-N 1 3 308.429 2.544 20 0 DFADHO CO[C@H](C)CN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000289617785 221106762 /nfs/dbraw/zinc/10/67/62/221106762.db2.gz LKROMPVUUOUFSP-MRXNPFEDSA-N 1 3 319.493 2.684 20 0 DFADHO c1n[nH]cc1CC[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000289650006 221129529 /nfs/dbraw/zinc/12/95/29/221129529.db2.gz GEDHBVFKXTWFHJ-UFYCRDLUSA-N 1 3 324.472 2.843 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000629528316 399636372 /nfs/dbraw/zinc/63/63/72/399636372.db2.gz WFWYWSZDAJYFRV-DSLXNQLJSA-N 1 3 301.478 2.770 20 0 DFADHO Cc1ccc(OC(F)F)c([C@@H](C)NCCOCCC[NH3+])c1 ZINC000629536165 399639131 /nfs/dbraw/zinc/63/91/31/399639131.db2.gz GACFXAAWBSHVLA-GFCCVEGCSA-N 1 3 302.365 2.612 20 0 DFADHO O[C@@H](CN[C@H]1C[C@H](c2ccccc2Cl)C1)C[NH+]1CCCC1 ZINC000629580229 399653805 /nfs/dbraw/zinc/65/38/05/399653805.db2.gz OALNAKQGVKZSGY-KKUMJFAQSA-N 1 3 308.853 2.632 20 0 DFADHO O[C@H](CN[C@H]1C[C@H](c2ccc(Cl)cc2)C1)C[NH+]1CCCC1 ZINC000629579370 399654256 /nfs/dbraw/zinc/65/42/56/399654256.db2.gz TUSPPLPSTXTWHH-DJIMGWMZSA-N 1 3 308.853 2.632 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCN(c3ccc(Cl)cc3F)C2)C1 ZINC000629544643 399642978 /nfs/dbraw/zinc/64/29/78/399642978.db2.gz JTAUJSUPNOZEDD-RDBSUJKOSA-N 1 3 311.832 2.917 20 0 DFADHO Fc1cc(Cl)ccc1N1CC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000629547469 399643882 /nfs/dbraw/zinc/64/38/82/399643882.db2.gz TUSFMGWAWQIPLU-KBPBESRZSA-N 1 3 311.832 2.790 20 0 DFADHO CC(C)(C)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000617347384 399672672 /nfs/dbraw/zinc/67/26/72/399672672.db2.gz LMCLSNPEPIMQJG-HOTGVXAUSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000617347384 399672673 /nfs/dbraw/zinc/67/26/73/399672673.db2.gz LMCLSNPEPIMQJG-HOTGVXAUSA-N 1 3 321.509 2.630 20 0 DFADHO [NH3+]C1(CNCCCc2c(F)cccc2Cl)CCOCC1 ZINC000629655687 399677621 /nfs/dbraw/zinc/67/76/21/399677621.db2.gz XVDMTYCVSNCKKX-UHFFFAOYSA-N 1 3 300.805 2.509 20 0 DFADHO Fc1ccc(/C=C\CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000629672632 399684995 /nfs/dbraw/zinc/68/49/95/399684995.db2.gz NQGONVVWXCXZBE-COLJXDCZSA-N 1 3 318.436 2.929 20 0 DFADHO C[NH2+]CCOCCN(C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000629653046 399676401 /nfs/dbraw/zinc/67/64/01/399676401.db2.gz LGFPRCHDVKJPNC-UHFFFAOYSA-N 1 3 322.783 2.609 20 0 DFADHO Cc1nccnc1CC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000294976210 224353231 /nfs/dbraw/zinc/35/32/31/224353231.db2.gz KHRHECGUYJOJFQ-LPHOPBHVSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1nccnc1CCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294976210 224353232 /nfs/dbraw/zinc/35/32/32/224353232.db2.gz KHRHECGUYJOJFQ-LPHOPBHVSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1nccnc1CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294976210 224353235 /nfs/dbraw/zinc/35/32/35/224353235.db2.gz KHRHECGUYJOJFQ-LPHOPBHVSA-N 1 3 324.472 2.828 20 0 DFADHO CN(Cc1ccc(OCC[NH+](C)C)cc1)C[C@H]1CCCCO1 ZINC000092427467 542547520 /nfs/dbraw/zinc/54/75/20/542547520.db2.gz GCSZXIRVUJKQEA-GOSISDBHSA-N 1 3 306.450 2.628 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000617505569 399720776 /nfs/dbraw/zinc/72/07/76/399720776.db2.gz IKTHDHZHPURHLI-SZMVWBNQSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000617505569 399720778 /nfs/dbraw/zinc/72/07/78/399720778.db2.gz IKTHDHZHPURHLI-SZMVWBNQSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000617503612 399720814 /nfs/dbraw/zinc/72/08/14/399720814.db2.gz QPUAAOULUJNXBM-ULQDDVLXSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000617503612 399720816 /nfs/dbraw/zinc/72/08/16/399720816.db2.gz QPUAAOULUJNXBM-ULQDDVLXSA-N 1 3 323.525 2.591 20 0 DFADHO CCCOc1cc(C[N@H+](C)C[C@@H]2CCN(C)C2)ccc1OC ZINC000121020348 195282010 /nfs/dbraw/zinc/28/20/10/195282010.db2.gz FKGUYYQKJAFBAD-MRXNPFEDSA-N 1 3 306.450 2.868 20 0 DFADHO CCCOc1cc(C[N@@H+](C)C[C@@H]2CCN(C)C2)ccc1OC ZINC000121020348 195282013 /nfs/dbraw/zinc/28/20/13/195282013.db2.gz FKGUYYQKJAFBAD-MRXNPFEDSA-N 1 3 306.450 2.868 20 0 DFADHO C[NH+](C)CCC1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000121641752 195321549 /nfs/dbraw/zinc/32/15/49/195321549.db2.gz FBKLEVILNKRJBU-UHFFFAOYSA-N 1 3 304.434 2.622 20 0 DFADHO CCC(O)(CC)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000121887309 195369265 /nfs/dbraw/zinc/36/92/65/195369265.db2.gz NEZISQHTRFUAPE-HNNXBMFYSA-N 1 3 308.466 2.829 20 0 DFADHO CCC(O)(CC)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000121905309 195372064 /nfs/dbraw/zinc/37/20/64/195372064.db2.gz UFTMOARPQGFMJY-OAHLLOKOSA-N 1 3 308.466 2.829 20 0 DFADHO COC[C@H](CC(C)C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000358035328 285371397 /nfs/dbraw/zinc/37/13/97/285371397.db2.gz IHNZRJBXYYACKJ-BBWFWOEESA-N 1 3 300.487 2.527 20 0 DFADHO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000348133402 285372252 /nfs/dbraw/zinc/37/22/52/285372252.db2.gz LLFGCWBBJDYINR-MRXNPFEDSA-N 1 3 319.493 2.750 20 0 DFADHO CCN(CCOC[C@@H]1CCCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062539 399741288 /nfs/dbraw/zinc/74/12/88/399741288.db2.gz WFMXIPVTTOOBMC-IBGZPJMESA-N 1 3 320.477 2.766 20 0 DFADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@@H](O)COC(C)(C)C ZINC000626062370 399741429 /nfs/dbraw/zinc/74/14/29/399741429.db2.gz PZJWUNYWESNEIG-GOSISDBHSA-N 1 3 322.493 2.746 20 0 DFADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@@H](O)COC(C)(C)C ZINC000626062370 399741434 /nfs/dbraw/zinc/74/14/34/399741434.db2.gz PZJWUNYWESNEIG-GOSISDBHSA-N 1 3 322.493 2.746 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)c2ccccc2)C1 ZINC000348161879 285390480 /nfs/dbraw/zinc/39/04/80/285390480.db2.gz APGKBIWEIGGFPF-GOSISDBHSA-N 1 3 318.461 2.692 20 0 DFADHO CCN(CCO[C@@H]1CC1(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063730 399742747 /nfs/dbraw/zinc/74/27/47/399742747.db2.gz NWCCSNRISKJUNM-MRXNPFEDSA-N 1 3 312.404 2.994 20 0 DFADHO CC[C@H](C)CCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000617641054 399765838 /nfs/dbraw/zinc/76/58/38/399765838.db2.gz JIXBUUWZGFDAMV-INIZCTEOSA-N 1 3 323.525 2.735 20 0 DFADHO CCCN1CCC([NH2+]Cc2cccc(Cn3cccn3)c2)CC1 ZINC000129367475 542623661 /nfs/dbraw/zinc/62/36/61/542623661.db2.gz GVZKPOSFYVBHBH-UHFFFAOYSA-N 1 3 312.461 2.895 20 0 DFADHO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(OCCN(C)C)cc1 ZINC000131911590 542639789 /nfs/dbraw/zinc/63/97/89/542639789.db2.gz CFMZWXBMSYMHFX-WBVHZDCISA-N 1 3 306.450 2.847 20 0 DFADHO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1cccc(OCCN(C)C)c1 ZINC000131937801 542639838 /nfs/dbraw/zinc/63/98/38/542639838.db2.gz QTYRFWDDKYQKDM-RDJZCZTQSA-N 1 3 306.450 2.847 20 0 DFADHO CN1CCC[N@H+](CCCNCc2cccc(Cl)c2F)CC1 ZINC000133962693 542648170 /nfs/dbraw/zinc/64/81/70/542648170.db2.gz JUIPMKOTBUTZLT-UHFFFAOYSA-N 1 3 313.848 2.596 20 0 DFADHO CN1CCC[N@@H+](CCCNCc2cccc(Cl)c2F)CC1 ZINC000133962693 542648174 /nfs/dbraw/zinc/64/81/74/542648174.db2.gz JUIPMKOTBUTZLT-UHFFFAOYSA-N 1 3 313.848 2.596 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000154502626 542689564 /nfs/dbraw/zinc/68/95/64/542689564.db2.gz BZPJVVSNJXXFLJ-IBGZPJMESA-N 1 3 319.468 2.820 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166232708 542750240 /nfs/dbraw/zinc/75/02/40/542750240.db2.gz ZNXRIXXTNGPFSW-KZNAEPCWSA-N 1 3 305.441 2.645 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166232708 542750243 /nfs/dbraw/zinc/75/02/43/542750243.db2.gz ZNXRIXXTNGPFSW-KZNAEPCWSA-N 1 3 305.441 2.645 20 0 DFADHO C[C@H](CCNC(=O)c1cccc(CN2CCCCC2)c1)[NH+](C)C ZINC000617762439 399793801 /nfs/dbraw/zinc/79/38/01/399793801.db2.gz PACALDIHHLRPEM-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)ccn1 ZINC000348423500 285538945 /nfs/dbraw/zinc/53/89/45/285538945.db2.gz VGGNSEQBQOHDNH-CVEARBPZSA-N 1 3 305.466 2.936 20 0 DFADHO CCCC[N@H+](C)CC1CCN(Cc2cn(C)nc2CC)CC1 ZINC000179685230 542781266 /nfs/dbraw/zinc/78/12/66/542781266.db2.gz QHFNAYMOYWFVHW-UHFFFAOYSA-N 1 3 306.498 2.926 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(Cc2cn(C)nc2CC)CC1 ZINC000179685230 542781269 /nfs/dbraw/zinc/78/12/69/542781269.db2.gz QHFNAYMOYWFVHW-UHFFFAOYSA-N 1 3 306.498 2.926 20 0 DFADHO CC1([NH+]2CCCC2)CCN(C(=O)Nc2cccc(CN)c2)CC1 ZINC000632948667 399804717 /nfs/dbraw/zinc/80/47/17/399804717.db2.gz KNOLHAMDUGMUEZ-UHFFFAOYSA-N 1 3 316.449 2.628 20 0 DFADHO C[C@@H]1C[C@H](NCCc2nc(-c3ccccn3)cs2)CC[N@@H+]1C ZINC000181009757 542787200 /nfs/dbraw/zinc/78/72/00/542787200.db2.gz NGMXWDDMOXEJFW-ZIAGYGMSSA-N 1 3 316.474 2.820 20 0 DFADHO C[C@@H]1C[C@H](NCCc2nc(-c3ccccn3)cs2)CC[N@H+]1C ZINC000181009757 542787201 /nfs/dbraw/zinc/78/72/01/542787201.db2.gz NGMXWDDMOXEJFW-ZIAGYGMSSA-N 1 3 316.474 2.820 20 0 DFADHO CCC[NH+]1CCC(NCCc2nc3cc(F)ccc3n2C)CC1 ZINC000183290595 542799505 /nfs/dbraw/zinc/79/95/05/542799505.db2.gz HWZIBWYCGDAODD-UHFFFAOYSA-N 1 3 318.440 2.719 20 0 DFADHO c1nc2ccccn2c1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192924617 542854999 /nfs/dbraw/zinc/85/49/99/542854999.db2.gz SAYJZYSZGDMNGK-SFHVURJKSA-N 1 3 320.440 2.946 20 0 DFADHO CC(C)C[C@H](C[NH3+])CC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000321724735 543086590 /nfs/dbraw/zinc/08/65/90/543086590.db2.gz WYKWJIMEKQFBTN-HNNXBMFYSA-N 1 3 321.465 2.577 20 0 DFADHO Cc1nc2ccccc2n1CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070258 543139805 /nfs/dbraw/zinc/13/98/05/543139805.db2.gz ZWVREICJEOJFQJ-IRXDYDNUSA-N 1 3 312.461 2.951 20 0 DFADHO Cc1nc2ccccc2n1CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070258 543139807 /nfs/dbraw/zinc/13/98/07/543139807.db2.gz ZWVREICJEOJFQJ-IRXDYDNUSA-N 1 3 312.461 2.951 20 0 DFADHO Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000339070258 543139810 /nfs/dbraw/zinc/13/98/10/543139810.db2.gz ZWVREICJEOJFQJ-IRXDYDNUSA-N 1 3 312.461 2.951 20 0 DFADHO c1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCOCC2)cc1 ZINC000339074992 543140553 /nfs/dbraw/zinc/14/05/53/543140553.db2.gz OLPATJPZOGZTAC-OALUTQOASA-N 1 3 314.473 2.951 20 0 DFADHO c1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CCOCC2)cc1 ZINC000339074992 543140557 /nfs/dbraw/zinc/14/05/57/543140557.db2.gz OLPATJPZOGZTAC-OALUTQOASA-N 1 3 314.473 2.951 20 0 DFADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000353495487 543236000 /nfs/dbraw/zinc/23/60/00/543236000.db2.gz HWUZNBNZNCLNKD-OALUTQOASA-N 1 3 316.493 2.618 20 0 DFADHO C1CCC(N2CCC([NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)C1 ZINC000358315295 543266610 /nfs/dbraw/zinc/26/66/10/543266610.db2.gz GYTWERAJJRVYKT-KRWDZBQOSA-N 1 3 322.493 2.711 20 0 DFADHO c1ccc(N2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000391333314 543308683 /nfs/dbraw/zinc/30/86/83/543308683.db2.gz BMFJTGIWUBOWFO-UHFFFAOYSA-N 1 3 307.441 2.655 20 0 DFADHO OC1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCN(Cc2ccccc2)CC1 ZINC000397519574 543310679 /nfs/dbraw/zinc/31/06/79/543310679.db2.gz UHZJGBACSLESOX-CEXWTWQISA-N 1 3 314.473 2.792 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1c(C)nn(CC)c1C ZINC000166033740 145233374 /nfs/dbraw/zinc/23/33/74/145233374.db2.gz VEFGIVWPJUOAIZ-CZUORRHYSA-N 1 3 310.486 2.527 20 0 DFADHO NCCC[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000415088615 543328593 /nfs/dbraw/zinc/32/85/93/543328593.db2.gz WINBMXPHIIGBEY-UHFFFAOYSA-N 1 3 316.276 2.896 20 0 DFADHO CCOc1cc2nccc(N3C[C@H]([NH3+])C[C@H]3C)c2cc1OCC ZINC000630559009 399903185 /nfs/dbraw/zinc/90/31/85/399903185.db2.gz NUNIVHOOTGOWFD-CHWSQXEVSA-N 1 3 315.417 2.958 20 0 DFADHO CCC1([NH+]2CCCC2)CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000633958300 399965959 /nfs/dbraw/zinc/96/59/59/399965959.db2.gz VFRZEOIVANOAEL-UHFFFAOYSA-N 1 3 321.509 2.585 20 0 DFADHO COc1cc(F)cc(OC)c1CNCCC1CC[NH+](C)CC1 ZINC000631064199 399972676 /nfs/dbraw/zinc/97/26/76/399972676.db2.gz KVCMFQOUHMZRQB-UHFFFAOYSA-N 1 3 310.413 2.664 20 0 DFADHO CCC[NH+]1CCC(CNCc2ccnn2CC2CCC2)CC1 ZINC000631065866 399973050 /nfs/dbraw/zinc/97/30/50/399973050.db2.gz VFMLVSGMEJZQPC-UHFFFAOYSA-N 1 3 304.482 2.895 20 0 DFADHO Cc1ccc([C@@H](C)C[NH+]2CCC(N(C)C[C@H](C)O)CC2)cc1 ZINC000628165771 399994654 /nfs/dbraw/zinc/99/46/54/399994654.db2.gz LSENEHQLMFOKTO-IRXDYDNUSA-N 1 3 304.478 2.876 20 0 DFADHO COc1cncc(CNCC2CC[NH+](CC3CC3)CC2)c1C ZINC000631179582 399997457 /nfs/dbraw/zinc/99/74/57/399997457.db2.gz VFLIXZILBBAJKD-UHFFFAOYSA-N 1 3 303.450 2.610 20 0 DFADHO C[NH+](C)CCCOc1cnccc1CNC[C@]1(C)CCCS1 ZINC000628282594 400013119 /nfs/dbraw/zinc/01/31/19/400013119.db2.gz LKEMTDDNTFQLSE-KRWDZBQOSA-N 1 3 323.506 2.787 20 0 DFADHO C[C@]1(C[NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CCCS1 ZINC000628337990 400022296 /nfs/dbraw/zinc/02/22/96/400022296.db2.gz XABIZXJDNGBUBL-QZTJIDSGSA-N 1 3 320.502 2.629 20 0 DFADHO COc1ccc2c(c1)CC[C@H]2NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000631621796 400058881 /nfs/dbraw/zinc/05/88/81/400058881.db2.gz LDTACJZPJURTPT-DNVCBOLYSA-N 1 3 318.461 2.773 20 0 DFADHO COc1ccc2c(c1)CC[C@H]2NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000631621796 400058882 /nfs/dbraw/zinc/05/88/82/400058882.db2.gz LDTACJZPJURTPT-DNVCBOLYSA-N 1 3 318.461 2.773 20 0 DFADHO C[C@H]1C[C@@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000631655715 400062813 /nfs/dbraw/zinc/06/28/13/400062813.db2.gz WNPDFAMKCRACET-BHADISHBSA-N 1 3 310.388 2.867 20 0 DFADHO C[C@H]1C[C@@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000631655715 400062814 /nfs/dbraw/zinc/06/28/14/400062814.db2.gz WNPDFAMKCRACET-BHADISHBSA-N 1 3 310.388 2.867 20 0 DFADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2C2CCCC2)CCCCC1 ZINC000628965477 400066754 /nfs/dbraw/zinc/06/67/54/400066754.db2.gz YJOGSFDYCSVOLF-QGZVFWFLSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000631700931 400068406 /nfs/dbraw/zinc/06/84/06/400068406.db2.gz LMCNHMOPDHFFGO-FSZRXZPDSA-N 1 3 306.450 2.844 20 0 DFADHO Cc1cc(C)c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(C)n1 ZINC000631830224 400078272 /nfs/dbraw/zinc/07/82/72/400078272.db2.gz MPPQDGXGFAVNES-SFHVURJKSA-N 1 3 317.477 2.597 20 0 DFADHO C[C@H]1CN(Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC000631840904 400079085 /nfs/dbraw/zinc/07/90/85/400079085.db2.gz VZOBJEVXDROQAK-YJBOKZPZSA-N 1 3 311.429 2.687 20 0 DFADHO CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000236764860 146026278 /nfs/dbraw/zinc/02/62/78/146026278.db2.gz XWSXFRRQTBGNFJ-CABCVRRESA-N 1 3 311.495 2.765 20 0 DFADHO CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)OCCO1 ZINC000245639594 146090366 /nfs/dbraw/zinc/09/03/66/146090366.db2.gz ALUDZGIUVBJIAP-BCDXTJNWSA-N 1 3 316.445 2.535 20 0 DFADHO CC(C)O[C@@H]1C[C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C1(C)C ZINC000248947941 146178698 /nfs/dbraw/zinc/17/86/98/146178698.db2.gz ZMORAMHFOUEOQC-KBAYOESNSA-N 1 3 324.509 2.669 20 0 DFADHO c1ccc(CCN2CC[C@H](C[NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000249050811 146184563 /nfs/dbraw/zinc/18/45/63/146184563.db2.gz XJXYSKAVSGEFJY-RTBURBONSA-N 1 3 300.446 2.833 20 0 DFADHO c1ccc(CC[N@@H+]2CC[C@H](CNC[C@H]3CCC=CO3)C2)cc1 ZINC000249050811 146184566 /nfs/dbraw/zinc/18/45/66/146184566.db2.gz XJXYSKAVSGEFJY-RTBURBONSA-N 1 3 300.446 2.833 20 0 DFADHO c1ccc(CC[N@H+]2CC[C@H](CNC[C@H]3CCC=CO3)C2)cc1 ZINC000249050811 146184572 /nfs/dbraw/zinc/18/45/72/146184572.db2.gz XJXYSKAVSGEFJY-RTBURBONSA-N 1 3 300.446 2.833 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@H](O)C(F)F ZINC000453272094 543371718 /nfs/dbraw/zinc/37/17/18/543371718.db2.gz RXTTXWHQEKTZFW-UGUYLWEFSA-N 1 3 312.404 2.816 20 0 DFADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@H](O)C(F)F ZINC000453272094 543371721 /nfs/dbraw/zinc/37/17/21/543371721.db2.gz RXTTXWHQEKTZFW-UGUYLWEFSA-N 1 3 312.404 2.816 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000252695975 146222110 /nfs/dbraw/zinc/22/21/10/146222110.db2.gz AZXZTMMQXRTYOE-AOIWGVFYSA-N 1 3 303.494 2.827 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000252695975 146222112 /nfs/dbraw/zinc/22/21/12/146222112.db2.gz AZXZTMMQXRTYOE-AOIWGVFYSA-N 1 3 303.494 2.827 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000252695975 146222115 /nfs/dbraw/zinc/22/21/15/146222115.db2.gz AZXZTMMQXRTYOE-AOIWGVFYSA-N 1 3 303.494 2.827 20 0 DFADHO c1ccc(CN2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261546037 146239644 /nfs/dbraw/zinc/23/96/44/146239644.db2.gz KPSBTPMYNTZFPN-MTQWCTHYSA-N 1 3 313.489 2.771 20 0 DFADHO C[C@@H]1C[C@H](CN2CCN(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC000261594995 146243946 /nfs/dbraw/zinc/24/39/46/146243946.db2.gz CBVWXAZIYDLULJ-HUUCEWRRSA-N 1 3 307.869 2.850 20 0 DFADHO COc1cc(C)c(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1OC ZINC000261798459 146279151 /nfs/dbraw/zinc/27/91/51/146279151.db2.gz UOWWIVPYGCCMBA-KRWDZBQOSA-N 1 3 318.461 2.976 20 0 DFADHO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000261929635 146303853 /nfs/dbraw/zinc/30/38/53/146303853.db2.gz LKJRHZVGGIBABO-IRXDYDNUSA-N 1 3 312.461 2.809 20 0 DFADHO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000261929635 146303854 /nfs/dbraw/zinc/30/38/54/146303854.db2.gz LKJRHZVGGIBABO-IRXDYDNUSA-N 1 3 312.461 2.809 20 0 DFADHO Cc1nc2ccccc2n1C[C@@H]1CCCN1C[C@H]1CCC[NH2+]C1 ZINC000261929635 146303855 /nfs/dbraw/zinc/30/38/55/146303855.db2.gz LKJRHZVGGIBABO-IRXDYDNUSA-N 1 3 312.461 2.809 20 0 DFADHO COc1cccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1OC ZINC000261931501 146304259 /nfs/dbraw/zinc/30/42/59/146304259.db2.gz JOEQGLCKLIINDB-MRXNPFEDSA-N 1 3 304.434 2.668 20 0 DFADHO C[C@]1(CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC[NH2+]C1 ZINC000261977868 146313808 /nfs/dbraw/zinc/31/38/08/146313808.db2.gz IXLUWVNNPMVQIA-SQNIBIBYSA-N 1 3 306.425 2.713 20 0 DFADHO COc1cc(CN2CCC3(C2)CC[NH2+]CC3)cc(Cl)c1OC ZINC000261981853 146314852 /nfs/dbraw/zinc/31/48/52/146314852.db2.gz JHKMKZRMKWKWHA-UHFFFAOYSA-N 1 3 324.852 2.933 20 0 DFADHO COc1ccc2nc(CN3CCC4(C3)CC[NH2+]CC4)sc2c1 ZINC000262047070 146327544 /nfs/dbraw/zinc/32/75/44/146327544.db2.gz PTUQNZAZYBKODK-UHFFFAOYSA-N 1 3 317.458 2.880 20 0 DFADHO C[C@H]([NH3+])C1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000262104091 146334189 /nfs/dbraw/zinc/33/41/89/146334189.db2.gz JHXQKAJVJLGANZ-KXBFYZLASA-N 1 3 318.461 2.804 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3cccc(Cl)c3)C[C@@H]21 ZINC000262344634 146352263 /nfs/dbraw/zinc/35/22/63/146352263.db2.gz UPQNJXWBOZWNJV-UHOFOFEASA-N 1 3 321.852 2.728 20 0 DFADHO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CC1(O)CCN(C)CC1 ZINC000349823855 285948922 /nfs/dbraw/zinc/94/89/22/285948922.db2.gz WMVRURZKWGYPBI-KRWDZBQOSA-N 1 3 302.462 2.727 20 0 DFADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2scnc2C2CC2)CC1 ZINC000494937364 543416618 /nfs/dbraw/zinc/41/66/18/543416618.db2.gz LRKOLQQOYKYEDV-ZDUSSCGKSA-N 1 3 323.506 2.545 20 0 DFADHO CCCCN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000354807031 147158475 /nfs/dbraw/zinc/15/84/75/147158475.db2.gz NQWMJERYEXCNHD-SFHVURJKSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000516673027 543424178 /nfs/dbraw/zinc/42/41/78/543424178.db2.gz IBWXOBVZHAUXEL-MOPGFXCFSA-N 1 3 302.462 2.948 20 0 DFADHO CCCC(O)(CCC)CNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425893172 296602972 /nfs/dbraw/zinc/60/29/72/296602972.db2.gz BIPLREPGSUALKL-UHFFFAOYSA-N 1 3 309.454 2.563 20 0 DFADHO COC1CCC(CCNCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425896104 296603493 /nfs/dbraw/zinc/60/34/93/296603493.db2.gz MTOXMPZNTDGSMH-UHFFFAOYSA-N 1 3 321.465 2.827 20 0 DFADHO CCOCCC1(CNCc2cc(C3CC[NH2+]CC3)no2)CCC1 ZINC000425900615 296603686 /nfs/dbraw/zinc/60/36/86/296603686.db2.gz OIBIWVKLTNKGGU-UHFFFAOYSA-N 1 3 321.465 2.828 20 0 DFADHO c1[nH]c2ccccc2c1CCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425899689 296603854 /nfs/dbraw/zinc/60/38/54/296603854.db2.gz LTMXTSRMTWSZPX-UHFFFAOYSA-N 1 3 324.428 2.955 20 0 DFADHO CC[NH+](CC)CCOCCNCc1ccc(F)c2cccnc12 ZINC000350359532 286031350 /nfs/dbraw/zinc/03/13/50/286031350.db2.gz SKAOPNLRTHJDGF-UHFFFAOYSA-N 1 3 319.424 2.822 20 0 DFADHO Cc1cnc(CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000358363217 148343110 /nfs/dbraw/zinc/34/31/10/148343110.db2.gz GKJCZWDYBHJGAK-MJGOQNOKSA-N 1 3 324.472 2.970 20 0 DFADHO Cc1cnc(CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000358363217 148343111 /nfs/dbraw/zinc/34/31/11/148343111.db2.gz GKJCZWDYBHJGAK-MJGOQNOKSA-N 1 3 324.472 2.970 20 0 DFADHO Cc1cnc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000358363221 148343363 /nfs/dbraw/zinc/34/33/63/148343363.db2.gz GKJCZWDYBHJGAK-PKOBYXMFSA-N 1 3 324.472 2.970 20 0 DFADHO Cc1cnc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000358363221 148343367 /nfs/dbraw/zinc/34/33/67/148343367.db2.gz GKJCZWDYBHJGAK-PKOBYXMFSA-N 1 3 324.472 2.970 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361030784 149012057 /nfs/dbraw/zinc/01/20/57/149012057.db2.gz LQORDIONKPNZNO-GTAWCEEGSA-N 1 3 313.489 2.723 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361030784 149012060 /nfs/dbraw/zinc/01/20/60/149012060.db2.gz LQORDIONKPNZNO-GTAWCEEGSA-N 1 3 313.489 2.723 20 0 DFADHO COc1ccc(F)cc1CNCC1(SC)CC[NH+](C)CC1 ZINC000361145770 149039449 /nfs/dbraw/zinc/03/94/49/149039449.db2.gz ODDSSYQNIHHXHZ-UHFFFAOYSA-N 1 3 312.454 2.751 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000361395521 149104674 /nfs/dbraw/zinc/10/46/74/149104674.db2.gz OTMFVEOYVHWXSD-RTBURBONSA-N 1 3 303.494 2.605 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000361395521 149104677 /nfs/dbraw/zinc/10/46/77/149104677.db2.gz OTMFVEOYVHWXSD-RTBURBONSA-N 1 3 303.494 2.605 20 0 DFADHO CCCCNC(=[NH2+])NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000361803511 149224656 /nfs/dbraw/zinc/22/46/56/149224656.db2.gz JZTSGIKMTDKCKU-QGZVFWFLSA-N 1 3 302.466 2.813 20 0 DFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1(C)CC1 ZINC000361968810 149266912 /nfs/dbraw/zinc/26/69/12/149266912.db2.gz REDXIANXHUJKGV-OAHLLOKOSA-N 1 3 302.462 2.922 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362393651 149296264 /nfs/dbraw/zinc/29/62/64/149296264.db2.gz UHYHHGAMUNIFEW-HNNXBMFYSA-N 1 3 321.440 2.736 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362393651 149296266 /nfs/dbraw/zinc/29/62/66/149296266.db2.gz UHYHHGAMUNIFEW-HNNXBMFYSA-N 1 3 321.440 2.736 20 0 DFADHO Cc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000362637912 149330142 /nfs/dbraw/zinc/33/01/42/149330142.db2.gz GKSDCLQPRUWDED-KRWDZBQOSA-N 1 3 301.478 2.595 20 0 DFADHO Cc1ccccc1CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362720213 149350470 /nfs/dbraw/zinc/35/04/70/149350470.db2.gz TZBJYGQLYOPBIN-IBGZPJMESA-N 1 3 301.478 2.595 20 0 DFADHO Cc1ccccc1CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000362720213 149350472 /nfs/dbraw/zinc/35/04/72/149350472.db2.gz TZBJYGQLYOPBIN-IBGZPJMESA-N 1 3 301.478 2.595 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3ccccc3C(F)(F)F)C[C@@H]12 ZINC000351475824 286129337 /nfs/dbraw/zinc/12/93/37/286129337.db2.gz JKIQXZDGTSQEQN-YRGRVCCFSA-N 1 3 314.351 2.753 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3cccc4ccccc43)C[C@H]12 ZINC000351488190 286133155 /nfs/dbraw/zinc/13/31/55/286133155.db2.gz DZSMKCVXPUSOQI-RYQLBKOJSA-N 1 3 323.440 2.838 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3cccc4ccccc43)C[C@H]12 ZINC000351488187 286133364 /nfs/dbraw/zinc/13/33/64/286133364.db2.gz DZSMKCVXPUSOQI-BPQIPLTHSA-N 1 3 323.440 2.838 20 0 DFADHO C[N@H+](C[C@@H](O)CN1CCCC[C@H]1Cc1ccccc1)C1CC1 ZINC000351493281 286134784 /nfs/dbraw/zinc/13/47/84/286134784.db2.gz VFPPJOVIDRKTLQ-RBUKOAKNSA-N 1 3 302.462 2.539 20 0 DFADHO C[N@@H+](C[C@@H](O)CN1CCCC[C@H]1Cc1ccccc1)C1CC1 ZINC000351493281 286134786 /nfs/dbraw/zinc/13/47/86/286134786.db2.gz VFPPJOVIDRKTLQ-RBUKOAKNSA-N 1 3 302.462 2.539 20 0 DFADHO CCc1ccc([C@@H](NC[C@@H](O)C[N@H+](C)C2CC2)C(C)C)cc1 ZINC000351539559 286147431 /nfs/dbraw/zinc/14/74/31/286147431.db2.gz UPZGAEJTPQOORO-MOPGFXCFSA-N 1 3 304.478 2.991 20 0 DFADHO CCc1ccc([C@@H](NC[C@@H](O)C[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000351539559 286147432 /nfs/dbraw/zinc/14/74/32/286147432.db2.gz UPZGAEJTPQOORO-MOPGFXCFSA-N 1 3 304.478 2.991 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3CCCCCC[C@H]32)CC1 ZINC000371208182 150004165 /nfs/dbraw/zinc/00/41/65/150004165.db2.gz HBIKFXLIKFTZQE-FUHWJXTLSA-N 1 3 321.509 2.630 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CCc4cnccn4)[C@@H]3C2)cc1 ZINC000371665298 150077403 /nfs/dbraw/zinc/07/74/03/150077403.db2.gz LSBZPLLZCAQDBI-SXLOBPIMSA-N 1 3 322.456 2.519 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCCc4cnccn4)[C@@H]3C2)cc1 ZINC000371665298 150077404 /nfs/dbraw/zinc/07/74/04/150077404.db2.gz LSBZPLLZCAQDBI-SXLOBPIMSA-N 1 3 322.456 2.519 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCCc4cnccn4)[C@@H]3C2)cc1 ZINC000371665298 150077408 /nfs/dbraw/zinc/07/74/08/150077408.db2.gz LSBZPLLZCAQDBI-SXLOBPIMSA-N 1 3 322.456 2.519 20 0 DFADHO COc1ccc(CC[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1O ZINC000373789936 150257521 /nfs/dbraw/zinc/25/75/21/150257521.db2.gz YQUNOEPCGOSUNB-BHYGNILZSA-N 1 3 318.461 2.938 20 0 DFADHO COc1ccc(CC[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1O ZINC000373789936 150257523 /nfs/dbraw/zinc/25/75/23/150257523.db2.gz YQUNOEPCGOSUNB-BHYGNILZSA-N 1 3 318.461 2.938 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCN3CCC[C@@H]3C2)cc1O ZINC000373789936 150257525 /nfs/dbraw/zinc/25/75/25/150257525.db2.gz YQUNOEPCGOSUNB-BHYGNILZSA-N 1 3 318.461 2.938 20 0 DFADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000374321965 150343919 /nfs/dbraw/zinc/34/39/19/150343919.db2.gz AYCXUNZRQUOVNO-UHFFFAOYSA-N 1 3 310.445 2.933 20 0 DFADHO CN1CCC2(CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000374321965 150343923 /nfs/dbraw/zinc/34/39/23/150343923.db2.gz AYCXUNZRQUOVNO-UHFFFAOYSA-N 1 3 310.445 2.933 20 0 DFADHO COc1ccc(C(=O)CCN2CCC(C[NH+](C)C)CC2)cc1 ZINC000351858276 286233513 /nfs/dbraw/zinc/23/35/13/286233513.db2.gz VKZRXIHFIDSNKY-UHFFFAOYSA-N 1 3 304.434 2.542 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2nc3c(cccc3F)n2C)[C@@H](C)C1 ZINC000246578005 158095983 /nfs/dbraw/zinc/09/59/83/158095983.db2.gz YKMWETCHGFRWJE-ZFWWWQNUSA-N 1 3 318.440 2.575 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2nc3c(cccc3F)n2C)[C@@H](C)C1 ZINC000246578005 158095985 /nfs/dbraw/zinc/09/59/85/158095985.db2.gz YKMWETCHGFRWJE-ZFWWWQNUSA-N 1 3 318.440 2.575 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000247124362 158119851 /nfs/dbraw/zinc/11/98/51/158119851.db2.gz PXNDSVJQSVFXCS-NYTXWWLZSA-N 1 3 322.884 2.632 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000247124362 158119853 /nfs/dbraw/zinc/11/98/53/158119853.db2.gz PXNDSVJQSVFXCS-NYTXWWLZSA-N 1 3 322.884 2.632 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000247987767 158154805 /nfs/dbraw/zinc/15/48/05/158154805.db2.gz IZTBVOJDZCALAA-RLLQIKCJSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccc(OCCN(C)C)cc1 ZINC000248145990 158161558 /nfs/dbraw/zinc/16/15/58/158161558.db2.gz QEABYMIPAOKDKQ-HRCADAONSA-N 1 3 308.466 2.685 20 0 DFADHO COC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248198592 158164904 /nfs/dbraw/zinc/16/49/04/158164904.db2.gz XWUKTVQMEXXRHM-ROUUACIJSA-N 1 3 316.445 2.536 20 0 DFADHO COC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248198592 158164907 /nfs/dbraw/zinc/16/49/07/158164907.db2.gz XWUKTVQMEXXRHM-ROUUACIJSA-N 1 3 316.445 2.536 20 0 DFADHO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000248391010 158170157 /nfs/dbraw/zinc/17/01/57/158170157.db2.gz BSAUCOLVGGGOKL-SPYBWZPUSA-N 1 3 312.461 2.999 20 0 DFADHO Cc1cnn(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000248755793 158200734 /nfs/dbraw/zinc/20/07/34/158200734.db2.gz CPQVUAQAXFHDLX-ACDBMABISA-N 1 3 324.472 2.977 20 0 DFADHO Cc1cnn(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000248755793 158200736 /nfs/dbraw/zinc/20/07/36/158200736.db2.gz CPQVUAQAXFHDLX-ACDBMABISA-N 1 3 324.472 2.977 20 0 DFADHO CC(C)N(C)c1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000357068219 158360704 /nfs/dbraw/zinc/36/07/04/158360704.db2.gz DMDVAUMIEUOCOQ-SFHVURJKSA-N 1 3 316.493 2.748 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000374497741 158775938 /nfs/dbraw/zinc/77/59/38/158775938.db2.gz RUFATZVCNMPUNC-GDIGMMSISA-N 1 3 318.461 2.845 20 0 DFADHO CC[C@@H](C(=O)N[C@H](CN(C)C)c1ccccc1)[NH+](CC)CC ZINC000274166421 286745293 /nfs/dbraw/zinc/74/52/93/286745293.db2.gz NACHQDDISFEPJA-SJORKVTESA-N 1 3 305.466 2.526 20 0 DFADHO C[C@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)N(C)C1CC1 ZINC000130849202 196115657 /nfs/dbraw/zinc/11/56/57/196115657.db2.gz JGQPMSNOCXHGNP-QGZVFWFLSA-N 1 3 315.505 2.766 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131423217 196167232 /nfs/dbraw/zinc/16/72/32/196167232.db2.gz YSOWXJAAVPVKEH-INMHGKMJSA-N 1 3 302.466 2.500 20 0 DFADHO CCC[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N(C)C ZINC000133863797 196341410 /nfs/dbraw/zinc/34/14/10/196341410.db2.gz OWOJNKIPFRDCRE-QZTJIDSGSA-N 1 3 323.525 2.831 20 0 DFADHO COc1ccccc1CCN(C)Cc1ccnn1-c1ccncc1 ZINC000667599963 543639133 /nfs/dbraw/zinc/63/91/33/543639133.db2.gz GKVZUIHWEXSYGD-UHFFFAOYSA-N 1 3 322.412 2.950 20 0 DFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000667847708 543691535 /nfs/dbraw/zinc/69/15/35/543691535.db2.gz UBIIQZXPIINDDF-NZSAHSFTSA-N 1 3 302.462 2.948 20 0 DFADHO CCC(CC)[C@@H](CNC(=O)Nc1cccc(CN)c1)[NH+](C)C ZINC000667727790 543667830 /nfs/dbraw/zinc/66/78/30/543667830.db2.gz JMSQTUJFAGTUJN-MRXNPFEDSA-N 1 3 306.454 2.633 20 0 DFADHO C[N@H+](CCNC(=O)Nc1cccc(CN)c1)C1CCCCC1 ZINC000667736875 543670674 /nfs/dbraw/zinc/67/06/74/543670674.db2.gz VPZCKYJBFNKWDK-UHFFFAOYSA-N 1 3 304.438 2.531 20 0 DFADHO C[N@@H+](CCNC(=O)Nc1cccc(CN)c1)C1CCCCC1 ZINC000667736875 543670676 /nfs/dbraw/zinc/67/06/76/543670676.db2.gz VPZCKYJBFNKWDK-UHFFFAOYSA-N 1 3 304.438 2.531 20 0 DFADHO c1cc(C[NH+]2CCCC2)ccc1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000667769851 543676080 /nfs/dbraw/zinc/67/60/80/543676080.db2.gz HVJUQXGWOXIKGY-RTBURBONSA-N 1 3 300.446 2.940 20 0 DFADHO c1cc(CN[C@H]2CO[C@@H](C3CC3)C2)cc(C[NH+]2CCCC2)c1 ZINC000667927823 543704980 /nfs/dbraw/zinc/70/49/80/543704980.db2.gz GTQXPRLANQJVCG-RTBURBONSA-N 1 3 300.446 2.940 20 0 DFADHO CC(C)(C)N1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000668459623 543809725 /nfs/dbraw/zinc/80/97/25/543809725.db2.gz WWPDPNBUVUIMDX-INIZCTEOSA-N 1 3 302.466 2.513 20 0 DFADHO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000671742061 544105301 /nfs/dbraw/zinc/10/53/01/544105301.db2.gz WTENCXZTZVTJDU-UXHICEINSA-N 1 3 315.505 2.958 20 0 DFADHO COC(=O)CCC[NH+]1CCC(Nc2cc(C)cc(C)n2)CC1 ZINC000291262175 222267742 /nfs/dbraw/zinc/26/77/42/222267742.db2.gz SJAXMTBEPOVIRE-UHFFFAOYSA-N 1 3 305.422 2.528 20 0 DFADHO CN(C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291259342 222264328 /nfs/dbraw/zinc/26/43/28/222264328.db2.gz WTZXQRDOOPXXGV-DOMZBBRYSA-N 1 3 316.367 2.622 20 0 DFADHO CN(C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291259342 222264331 /nfs/dbraw/zinc/26/43/31/222264331.db2.gz WTZXQRDOOPXXGV-DOMZBBRYSA-N 1 3 316.367 2.622 20 0 DFADHO C[C@@H](C[NH2+]Cc1ccc(OCCN(C)C)cc1)c1ccncc1 ZINC000674070065 544217361 /nfs/dbraw/zinc/21/73/61/544217361.db2.gz LXUYKNTYRPYZJN-INIZCTEOSA-N 1 3 313.445 2.915 20 0 DFADHO Cc1nccc([C@H]2CCC[N@@H+](CC[C@@H]3CCCCN3C)C2)n1 ZINC000675492838 544316000 /nfs/dbraw/zinc/31/60/00/544316000.db2.gz GNNORRIFVHCRSM-IRXDYDNUSA-N 1 3 302.466 2.839 20 0 DFADHO Cc1nccc([C@H]2CCC[N@H+](CC[C@@H]3CCCCN3C)C2)n1 ZINC000675492838 544316002 /nfs/dbraw/zinc/31/60/02/544316002.db2.gz GNNORRIFVHCRSM-IRXDYDNUSA-N 1 3 302.466 2.839 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4c3cccc4F)C2)CC1 ZINC000675871521 544341138 /nfs/dbraw/zinc/34/11/38/544341138.db2.gz FLSZNBCIFXBRQZ-IFXJQAMLSA-N 1 3 317.452 2.571 20 0 DFADHO C[C@@H](CCc1ccsc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442871755 297208899 /nfs/dbraw/zinc/20/88/99/297208899.db2.gz GNZVGTKZRGJLGD-HNNXBMFYSA-N 1 3 309.523 2.685 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000677804307 544543163 /nfs/dbraw/zinc/54/31/63/544543163.db2.gz FBHQKDFGUGHOAP-AEFFLSMTSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@H](CO)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000678044270 544587044 /nfs/dbraw/zinc/58/70/44/544587044.db2.gz NVABFELHZMEBIU-YTQUADARSA-N 1 3 302.462 2.601 20 0 DFADHO C[C@H](CO)CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000678044270 544587049 /nfs/dbraw/zinc/58/70/49/544587049.db2.gz NVABFELHZMEBIU-YTQUADARSA-N 1 3 302.462 2.601 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+]C[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000678074873 544594866 /nfs/dbraw/zinc/59/48/66/544594866.db2.gz UAJVCSAMOWHPOQ-WSTZPKSXSA-N 1 3 313.489 2.548 20 0 DFADHO c1ccc2c(c1)OCC[C@H]2CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678277064 544641082 /nfs/dbraw/zinc/64/10/82/544641082.db2.gz PVBHLNMVGMQROD-IRXDYDNUSA-N 1 3 300.446 2.970 20 0 DFADHO c1ccc2c(c1)OCC[C@H]2C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000678277064 544641085 /nfs/dbraw/zinc/64/10/85/544641085.db2.gz PVBHLNMVGMQROD-IRXDYDNUSA-N 1 3 300.446 2.970 20 0 DFADHO c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000678277064 544641087 /nfs/dbraw/zinc/64/10/87/544641087.db2.gz PVBHLNMVGMQROD-IRXDYDNUSA-N 1 3 300.446 2.970 20 0 DFADHO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000678733790 544714586 /nfs/dbraw/zinc/71/45/86/544714586.db2.gz QNSXPOYRQPIXRI-WMZOPIPTSA-N 1 3 306.450 2.532 20 0 DFADHO C[C@@H]1C[C@@H](Nc2cccc(CN3CCC(O)CC3)c2)CC[N@@H+]1C ZINC000679053039 544775200 /nfs/dbraw/zinc/77/52/00/544775200.db2.gz XPZBIWLJSQHXKX-QAPCUYQASA-N 1 3 317.477 2.538 20 0 DFADHO C[C@@H]1C[C@@H](Nc2cccc(CN3CCC(O)CC3)c2)CC[N@H+]1C ZINC000679053039 544775204 /nfs/dbraw/zinc/77/52/04/544775204.db2.gz XPZBIWLJSQHXKX-QAPCUYQASA-N 1 3 317.477 2.538 20 0 DFADHO C[C@H]1C[C@H](Nc2cccc(CN3CCC(O)CC3)c2)CC[N@@H+]1C ZINC000679053037 544775349 /nfs/dbraw/zinc/77/53/49/544775349.db2.gz XPZBIWLJSQHXKX-MAUKXSAKSA-N 1 3 317.477 2.538 20 0 DFADHO C[C@H]1C[C@H](Nc2cccc(CN3CCC(O)CC3)c2)CC[N@H+]1C ZINC000679053037 544775351 /nfs/dbraw/zinc/77/53/51/544775351.db2.gz XPZBIWLJSQHXKX-MAUKXSAKSA-N 1 3 317.477 2.538 20 0 DFADHO CCN1C[C@H](C)[C@H](NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000679076092 544780188 /nfs/dbraw/zinc/78/01/88/544780188.db2.gz QNOUFIPPVSCPKY-PBWTXFEYSA-N 1 3 307.526 2.959 20 0 DFADHO CC[C@@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1ccccc1OC ZINC000155723230 425924815 /nfs/dbraw/zinc/92/48/15/425924815.db2.gz NIVGDDMGGDCQRI-FUHWJXTLSA-N 1 3 319.493 2.762 20 0 DFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)N(C)C ZINC000155777557 425926456 /nfs/dbraw/zinc/92/64/56/425926456.db2.gz UFNXXUIIVLTWDU-WMZOPIPTSA-N 1 3 319.493 2.599 20 0 DFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000155777557 425926460 /nfs/dbraw/zinc/92/64/60/425926460.db2.gz UFNXXUIIVLTWDU-WMZOPIPTSA-N 1 3 319.493 2.599 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cnn(C(C)C)c1C ZINC000191333977 267996637 /nfs/dbraw/zinc/99/66/37/267996637.db2.gz OJZOMVLAVPGYQB-ZBFHGGJFSA-N 1 3 310.486 2.780 20 0 DFADHO CCCN(CCN[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000222408739 268141379 /nfs/dbraw/zinc/14/13/79/268141379.db2.gz JCVVCPPRYMBUSH-GJZGRUSLSA-N 1 3 313.486 2.706 20 0 DFADHO CCCN(CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000222408739 268141381 /nfs/dbraw/zinc/14/13/81/268141381.db2.gz JCVVCPPRYMBUSH-GJZGRUSLSA-N 1 3 313.486 2.706 20 0 DFADHO C[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000280939842 268270351 /nfs/dbraw/zinc/27/03/51/268270351.db2.gz ISJYUGDBFLQYQW-YJBOKZPZSA-N 1 3 320.477 2.829 20 0 DFADHO CCN1CCCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298557526 268315267 /nfs/dbraw/zinc/31/52/67/268315267.db2.gz VMJVOQZRJVKRAY-GOSISDBHSA-N 1 3 302.466 2.514 20 0 DFADHO CC[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000300225908 268322062 /nfs/dbraw/zinc/32/20/62/268322062.db2.gz UCLFYFKDEYITNL-KBUPBQIOSA-N 1 3 313.486 2.608 20 0 DFADHO CC[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000300225908 268322064 /nfs/dbraw/zinc/32/20/64/268322064.db2.gz UCLFYFKDEYITNL-KBUPBQIOSA-N 1 3 313.486 2.608 20 0 DFADHO CCOC(=O)N1CCC(N[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000316478621 268344446 /nfs/dbraw/zinc/34/44/46/268344446.db2.gz ZARPMXUVIYIQJQ-GOEBONIOSA-N 1 3 311.470 2.508 20 0 DFADHO CC1(C)Cc2cccc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)c2O1 ZINC000319317078 268346407 /nfs/dbraw/zinc/34/64/07/268346407.db2.gz YVQQWRSYNTUAEW-IYBDPMFKSA-N 1 3 300.446 2.832 20 0 DFADHO CCc1noc(C2CCC([NH2+][C@H]3CCCC[C@@H]3CN)CC2)n1 ZINC000333145258 268377978 /nfs/dbraw/zinc/37/79/78/268377978.db2.gz LRJLYJHDIDQQFX-JYVUQVBGSA-N 1 3 306.454 2.765 20 0 DFADHO COc1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1Br ZINC000336699243 268433073 /nfs/dbraw/zinc/43/30/73/268433073.db2.gz JJBBYDTZYUYSRT-NXEZZACHSA-N 1 3 301.228 2.703 20 0 DFADHO CCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000336896262 268450982 /nfs/dbraw/zinc/45/09/82/268450982.db2.gz NULOFTDVTDMVAH-WDSOQIARSA-N 1 3 301.478 2.581 20 0 DFADHO CC(C)Oc1ccc([C@@H](O)CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000125366421 425968565 /nfs/dbraw/zinc/96/85/65/425968565.db2.gz FATWSBOYLLBNSH-HFTRVMKXSA-N 1 3 306.450 2.580 20 0 DFADHO CC(C)Oc1ccc([C@@H](O)CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000125366421 425968567 /nfs/dbraw/zinc/96/85/67/425968567.db2.gz FATWSBOYLLBNSH-HFTRVMKXSA-N 1 3 306.450 2.580 20 0 DFADHO [NH3+]CC[C@H]1CCCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000070170770 425969009 /nfs/dbraw/zinc/96/90/09/425969009.db2.gz QQUIZBHUSVFKFK-GFCCVEGCSA-N 1 3 310.825 2.672 20 0 DFADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)Nc1cccc(Cl)c1 ZINC000070149955 425969164 /nfs/dbraw/zinc/96/91/64/425969164.db2.gz HVMZLJOPKCNXQH-OAHLLOKOSA-N 1 3 309.841 2.872 20 0 DFADHO CC[NH+](CC)CCOc1ccccc1CNCC1=CCCOC1 ZINC000126541681 426024987 /nfs/dbraw/zinc/02/49/87/426024987.db2.gz STRSUYJREXLOMN-UHFFFAOYSA-N 1 3 318.461 2.844 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC000161593330 426030841 /nfs/dbraw/zinc/03/08/41/426030841.db2.gz XGRHAFKBAZGUTK-RSPOEFSDSA-N 1 3 313.489 2.866 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC000161593330 426030844 /nfs/dbraw/zinc/03/08/44/426030844.db2.gz XGRHAFKBAZGUTK-RSPOEFSDSA-N 1 3 313.489 2.866 20 0 DFADHO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126654710 426031006 /nfs/dbraw/zinc/03/10/06/426031006.db2.gz FVRGPQHLKHCLSC-DLBZAZTESA-N 1 3 303.494 2.958 20 0 DFADHO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cn1 ZINC000126825993 426038494 /nfs/dbraw/zinc/03/84/94/426038494.db2.gz ZVIDYTMUFFDBTN-ZMSDIMECSA-N 1 3 304.482 2.746 20 0 DFADHO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cn1 ZINC000126825592 426038898 /nfs/dbraw/zinc/03/88/98/426038898.db2.gz ZVIDYTMUFFDBTN-YQQAZPJKSA-N 1 3 304.482 2.746 20 0 DFADHO CCC[C@@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)N(C)C ZINC000126863272 426039648 /nfs/dbraw/zinc/03/96/48/426039648.db2.gz XZNVIYLWOIYTDO-WMZOPIPTSA-N 1 3 319.493 2.744 20 0 DFADHO CCC[C@@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000126863272 426039650 /nfs/dbraw/zinc/03/96/50/426039650.db2.gz XZNVIYLWOIYTDO-WMZOPIPTSA-N 1 3 319.493 2.744 20 0 DFADHO CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)N(C)C ZINC000108450524 426017099 /nfs/dbraw/zinc/01/70/99/426017099.db2.gz IVOYEJIKBPJILP-SFHVURJKSA-N 1 3 317.477 2.850 20 0 DFADHO COc1cccc([C@H](C)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000126468952 426020319 /nfs/dbraw/zinc/02/03/19/426020319.db2.gz PGWVRBZEQNNHRF-INIZCTEOSA-N 1 3 319.493 2.714 20 0 DFADHO COc1cccc([C@H](C)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000126468952 426020322 /nfs/dbraw/zinc/02/03/22/426020322.db2.gz PGWVRBZEQNNHRF-INIZCTEOSA-N 1 3 319.493 2.714 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000075860161 426088921 /nfs/dbraw/zinc/08/89/21/426088921.db2.gz RWTYBCVBOUTJHF-HNNXBMFYSA-N 1 3 321.440 2.961 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1ccccc1F ZINC000075860161 426088924 /nfs/dbraw/zinc/08/89/24/426088924.db2.gz RWTYBCVBOUTJHF-HNNXBMFYSA-N 1 3 321.440 2.961 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCc3cnn(C)c3)CC2)C1 ZINC000127857894 426090001 /nfs/dbraw/zinc/09/00/01/426090001.db2.gz PCRVICWZHWGNEA-QAPCUYQASA-N 1 3 304.482 2.595 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCc3cnn(C)c3)CC2)C1 ZINC000127857894 426090004 /nfs/dbraw/zinc/09/00/04/426090004.db2.gz PCRVICWZHWGNEA-QAPCUYQASA-N 1 3 304.482 2.595 20 0 DFADHO CCC[NH+]1CCC(NCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000164070336 426111926 /nfs/dbraw/zinc/11/19/26/426111926.db2.gz CMBGKBXGJJOODM-UHFFFAOYSA-N 1 3 313.486 2.754 20 0 DFADHO CCN1CC[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000076458389 426112298 /nfs/dbraw/zinc/11/22/98/426112298.db2.gz CHNCJTOESAIWKP-SFHVURJKSA-N 1 3 301.478 2.582 20 0 DFADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCN(C)CC1)CC2 ZINC000128506214 426120364 /nfs/dbraw/zinc/12/03/64/426120364.db2.gz QHNIGKQYQBXMDS-LJQANCHMSA-N 1 3 301.478 2.600 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000165926547 426124780 /nfs/dbraw/zinc/12/47/80/426124780.db2.gz JUYWWLCILRWDAA-KDOFPFPSSA-N 1 3 321.465 2.652 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000167619373 426133346 /nfs/dbraw/zinc/13/33/46/426133346.db2.gz UAGVIAFIGMEPAQ-PVAVHDDUSA-N 1 3 317.477 2.750 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)cc1 ZINC000127580959 426074217 /nfs/dbraw/zinc/07/42/17/426074217.db2.gz ZEFYJYBYXCTEIU-HNNXBMFYSA-N 1 3 307.457 2.545 20 0 DFADHO C[C@@H]1C[C@@H](NCC2=CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000127762918 426084799 /nfs/dbraw/zinc/08/47/99/426084799.db2.gz XAYKGQKMUMZFIY-APWZRJJASA-N 1 3 300.446 2.976 20 0 DFADHO C[C@@H]1C[C@@H](NCC2=CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000127762918 426084803 /nfs/dbraw/zinc/08/48/03/426084803.db2.gz XAYKGQKMUMZFIY-APWZRJJASA-N 1 3 300.446 2.976 20 0 DFADHO CCC[C@H](C(=O)NCc1cccc(C[NH+](CC)CC)c1)N(C)C ZINC000136572947 426242215 /nfs/dbraw/zinc/24/22/15/426242215.db2.gz YDFUUXSWNCUNEO-GOSISDBHSA-N 1 3 319.493 2.875 20 0 DFADHO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1CCCCCC1 ZINC000118773585 426244216 /nfs/dbraw/zinc/24/42/16/426244216.db2.gz AWPIJLDLTXAIJP-QZTJIDSGSA-N 1 3 323.525 2.879 20 0 DFADHO C[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1CCCCCC1 ZINC000118773585 426244219 /nfs/dbraw/zinc/24/42/19/426244219.db2.gz AWPIJLDLTXAIJP-QZTJIDSGSA-N 1 3 323.525 2.879 20 0 DFADHO CC(C)[NH+]1CCC(C(=O)N[C@H](CN(C)C)c2ccccc2)CC1 ZINC000173722702 426246171 /nfs/dbraw/zinc/24/61/71/426246171.db2.gz QGRDTWYKIPPUEZ-GOSISDBHSA-N 1 3 317.477 2.526 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000150960294 426269412 /nfs/dbraw/zinc/26/94/12/426269412.db2.gz DZUCEGXQRWECSF-QGZVFWFLSA-N 1 3 319.518 2.839 20 0 DFADHO CC(C)C[C@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000119256298 426271998 /nfs/dbraw/zinc/27/19/98/426271998.db2.gz GGIBHRFTWKDYPH-QGZVFWFLSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000119444362 426288766 /nfs/dbraw/zinc/28/87/66/426288766.db2.gz JTFUWGZYRICGLO-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000119444362 426288768 /nfs/dbraw/zinc/28/87/68/426288768.db2.gz JTFUWGZYRICGLO-FUHWJXTLSA-N 1 3 321.509 2.632 20 0 DFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)N(C)C ZINC000151474950 426297779 /nfs/dbraw/zinc/29/77/79/426297779.db2.gz UFNXXUIIVLTWDU-FUHWJXTLSA-N 1 3 319.493 2.599 20 0 DFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000151474950 426297782 /nfs/dbraw/zinc/29/77/82/426297782.db2.gz UFNXXUIIVLTWDU-FUHWJXTLSA-N 1 3 319.493 2.599 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1nc2c(cccc2F)n1C ZINC000089674465 426301468 /nfs/dbraw/zinc/30/14/68/426301468.db2.gz ASDIOSLNOCNBNM-IPYPFGDCSA-N 1 3 318.440 2.573 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1nc2c(cccc2F)n1C ZINC000089674465 426301470 /nfs/dbraw/zinc/30/14/70/426301470.db2.gz ASDIOSLNOCNBNM-IPYPFGDCSA-N 1 3 318.440 2.573 20 0 DFADHO COC(=O)c1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1F ZINC000151574158 426302930 /nfs/dbraw/zinc/30/29/30/426302930.db2.gz YZXWZNZQOQDXEO-UHFFFAOYSA-N 1 3 322.424 2.776 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)N(C)C)c1 ZINC000121231940 426327277 /nfs/dbraw/zinc/32/72/77/426327277.db2.gz PVHPHNNCYTUWBV-OHQAAIJDSA-N 1 3 319.493 2.616 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)N(C)C)c1 ZINC000121231940 426327278 /nfs/dbraw/zinc/32/72/78/426327278.db2.gz PVHPHNNCYTUWBV-OHQAAIJDSA-N 1 3 319.493 2.616 20 0 DFADHO COc1cccc([C@H](C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)N(C)C)c1 ZINC000121231940 426327282 /nfs/dbraw/zinc/32/72/82/426327282.db2.gz PVHPHNNCYTUWBV-OHQAAIJDSA-N 1 3 319.493 2.616 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000119357087 426281637 /nfs/dbraw/zinc/28/16/37/426281637.db2.gz SYYMTHKVXFCEKQ-GOSISDBHSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000119357087 426281642 /nfs/dbraw/zinc/28/16/42/426281642.db2.gz SYYMTHKVXFCEKQ-GOSISDBHSA-N 1 3 317.477 2.598 20 0 DFADHO CCCCNC(=O)[C@@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121744121 426352238 /nfs/dbraw/zinc/35/22/38/426352238.db2.gz HQEDHXPDXQYCEN-QGZVFWFLSA-N 1 3 323.525 2.879 20 0 DFADHO C[C@@H]1CCC[C@@H](CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000092796437 426352745 /nfs/dbraw/zinc/35/27/45/426352745.db2.gz ZGAPTDHKWBDIKK-QRVBRYPASA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1CCC[C@@H](CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000092796437 426352748 /nfs/dbraw/zinc/35/27/48/426352748.db2.gz ZGAPTDHKWBDIKK-QRVBRYPASA-N 1 3 307.526 2.915 20 0 DFADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cccc(OCCN(C)C)c1 ZINC000152871895 426358919 /nfs/dbraw/zinc/35/89/19/426358919.db2.gz ODWZVIGGCGQRSF-MPGHIAIKSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCc3ccccc3C2)CCN1C ZINC000122758675 426392265 /nfs/dbraw/zinc/39/22/65/426392265.db2.gz GGOASSOBZMNHJR-VQIMIIECSA-N 1 3 301.478 2.507 20 0 DFADHO C[C@H]1C[C@H](NCc2cc(N(C)C)nc3ccccc23)CC[N@@H+]1C ZINC000154446021 426440134 /nfs/dbraw/zinc/44/01/34/426440134.db2.gz ODDMOTGIXNMWFN-GOEBONIOSA-N 1 3 312.461 2.873 20 0 DFADHO C[C@H]1C[C@H](NCc2cc(N(C)C)nc3ccccc23)CC[N@H+]1C ZINC000154446021 426440137 /nfs/dbraw/zinc/44/01/37/426440137.db2.gz ODDMOTGIXNMWFN-GOEBONIOSA-N 1 3 312.461 2.873 20 0 DFADHO CCN(Cc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1)C1CC1 ZINC000341329928 269071235 /nfs/dbraw/zinc/07/12/35/269071235.db2.gz UNVMCUVSXHDKQA-OAHLLOKOSA-N 1 3 317.477 2.598 20 0 DFADHO COc1cccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000177351942 426471105 /nfs/dbraw/zinc/47/11/05/426471105.db2.gz QPAMSPYIDCSVAJ-HOTGVXAUSA-N 1 3 318.461 2.847 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000124152845 426472380 /nfs/dbraw/zinc/47/23/80/426472380.db2.gz VTSODIWNQJSNBT-GJZGRUSLSA-N 1 3 304.434 2.840 20 0 DFADHO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000186410508 426523623 /nfs/dbraw/zinc/52/36/23/426523623.db2.gz BBVUIOGKCVWYRL-HNNXBMFYSA-N 1 3 317.477 2.646 20 0 DFADHO COc1ccc(CNCC2(C)CC[NH+](C)CC2)c(OC)c1OC ZINC000272596557 426569733 /nfs/dbraw/zinc/56/97/33/426569733.db2.gz RRYPYGCEGXJRIS-UHFFFAOYSA-N 1 3 322.449 2.534 20 0 DFADHO CC(C)[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000272738145 426571119 /nfs/dbraw/zinc/57/11/19/426571119.db2.gz KKOUZDBHCNUJAU-MRXNPFEDSA-N 1 3 312.404 2.708 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000178158702 426578408 /nfs/dbraw/zinc/57/84/08/426578408.db2.gz NDFCZZNXJQTQEK-GJYPPUQNSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)CCO)c1cccc(OCCN(C)C)c1 ZINC000178163431 426580003 /nfs/dbraw/zinc/58/00/03/426580003.db2.gz DISCZYRYMUIRBS-HNNXBMFYSA-N 1 3 308.466 2.686 20 0 DFADHO COc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1C ZINC000273119204 426596817 /nfs/dbraw/zinc/59/68/17/426596817.db2.gz XSVJCIOPYDGQQW-OAHLLOKOSA-N 1 3 306.450 2.501 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280354006 426556779 /nfs/dbraw/zinc/55/67/79/426556779.db2.gz SQBDGUQKKNRNQL-LJQANCHMSA-N 1 3 316.493 2.538 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000273284878 426635063 /nfs/dbraw/zinc/63/50/63/426635063.db2.gz XEOWUMZUCNGZQQ-AWEZNQCLSA-N 1 3 305.466 2.531 20 0 DFADHO CCCOc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000178522976 426647217 /nfs/dbraw/zinc/64/72/17/426647217.db2.gz PLDXUJUAVAMHSD-MRXNPFEDSA-N 1 3 320.477 2.973 20 0 DFADHO C[NH+]1CCC(C)(CNCc2ccc(Br)o2)CC1 ZINC000234316002 426655626 /nfs/dbraw/zinc/65/56/26/426655626.db2.gz PWJXFVMSZVYSSA-UHFFFAOYSA-N 1 3 301.228 2.864 20 0 DFADHO c1ccc2c(c1)C[C@H]1CN(CCC[NH+]3CCCCC3)CCCN21 ZINC000289586706 426668794 /nfs/dbraw/zinc/66/87/94/426668794.db2.gz WVIXTIGGLREUKA-IBGZPJMESA-N 1 3 313.489 2.999 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000236763787 426683856 /nfs/dbraw/zinc/68/38/56/426683856.db2.gz VBGZLLWFJHBSHL-QAPCUYQASA-N 1 3 317.477 2.518 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000236763787 426683860 /nfs/dbraw/zinc/68/38/60/426683860.db2.gz VBGZLLWFJHBSHL-QAPCUYQASA-N 1 3 317.477 2.518 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000236767706 426685090 /nfs/dbraw/zinc/68/50/90/426685090.db2.gz ZFFZQPYGPMZDFI-YJBOKZPZSA-N 1 3 317.477 2.518 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000236767706 426685095 /nfs/dbraw/zinc/68/50/95/426685095.db2.gz ZFFZQPYGPMZDFI-YJBOKZPZSA-N 1 3 317.477 2.518 20 0 DFADHO C[C@H]1C[C@@H](NCC2=CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000187741828 426688629 /nfs/dbraw/zinc/68/86/29/426688629.db2.gz QEPRSXNKBZYTJX-HOCLYGCPSA-N 1 3 323.481 2.626 20 0 DFADHO C[C@H]1C[C@@H](NCC2=CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000187741828 426688633 /nfs/dbraw/zinc/68/86/33/426688633.db2.gz QEPRSXNKBZYTJX-HOCLYGCPSA-N 1 3 323.481 2.626 20 0 DFADHO C[NH+]1CCC(O)(CNCc2cccc(Cl)c2Cl)CC1 ZINC000265886007 426705659 /nfs/dbraw/zinc/70/56/59/426705659.db2.gz PPQWCONAQYIMGD-UHFFFAOYSA-N 1 3 303.233 2.540 20 0 DFADHO c1cn(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000245737303 426767027 /nfs/dbraw/zinc/76/70/27/426767027.db2.gz QZNVZVAGKPDTTM-REPLKXPHSA-N 1 3 310.445 2.668 20 0 DFADHO c1cn(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245737303 426767032 /nfs/dbraw/zinc/76/70/32/426767032.db2.gz QZNVZVAGKPDTTM-REPLKXPHSA-N 1 3 310.445 2.668 20 0 DFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCCOC2)C3)cc1 ZINC000245731100 426768208 /nfs/dbraw/zinc/76/82/08/426768208.db2.gz QEIXJLQUGJNOCV-AKHDSKFASA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCCOC2)C3)cc1 ZINC000245731100 426768214 /nfs/dbraw/zinc/76/82/14/426768214.db2.gz QEIXJLQUGJNOCV-AKHDSKFASA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCCOC2)C3)cc1 ZINC000245731102 426768560 /nfs/dbraw/zinc/76/85/60/426768560.db2.gz QEIXJLQUGJNOCV-CADBVGFASA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCCOC2)C3)cc1 ZINC000245731102 426768564 /nfs/dbraw/zinc/76/85/64/426768564.db2.gz QEIXJLQUGJNOCV-CADBVGFASA-N 1 3 300.446 2.951 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](c1cncc(F)c1)C1CC1 ZINC000281817808 426773011 /nfs/dbraw/zinc/77/30/11/426773011.db2.gz ZKFSVHSXBFUUBW-IRXDYDNUSA-N 1 3 309.429 2.618 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)NCc1ccc2c(c1)CNC2 ZINC000188753899 426785479 /nfs/dbraw/zinc/78/54/79/426785479.db2.gz ZRRWTIYQNXRMRM-UHFFFAOYSA-N 1 3 317.477 2.808 20 0 DFADHO CC(C)N(C)C[C@@H](C)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000290274031 426730673 /nfs/dbraw/zinc/73/06/73/426730673.db2.gz WNKWJMKDIRVBKM-QGZVFWFLSA-N 1 3 303.494 2.969 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000290274256 426731250 /nfs/dbraw/zinc/73/12/50/426731250.db2.gz YTOQLVXHKZZRQA-XIRDDKMYSA-N 1 3 317.477 2.620 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)c1 ZINC000290581129 426797827 /nfs/dbraw/zinc/79/78/27/426797827.db2.gz NUAUKQHNAIKVGM-SJORKVTESA-N 1 3 303.450 2.629 20 0 DFADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccncc1 ZINC000246276270 426815804 /nfs/dbraw/zinc/81/58/04/426815804.db2.gz BCQMAWOLGGFCJC-JCGIZDLHSA-N 1 3 303.450 2.500 20 0 DFADHO CCC(C)(C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000274689707 426817934 /nfs/dbraw/zinc/81/79/34/426817934.db2.gz ZSBGNDSZSBMPFV-MRXNPFEDSA-N 1 3 305.466 2.526 20 0 DFADHO CCC(C)(C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000274689707 426817939 /nfs/dbraw/zinc/81/79/39/426817939.db2.gz ZSBGNDSZSBMPFV-MRXNPFEDSA-N 1 3 305.466 2.526 20 0 DFADHO Cn1ccc(CNCc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000267134214 426829436 /nfs/dbraw/zinc/82/94/36/426829436.db2.gz WGARENMNWYNZAF-UHFFFAOYSA-N 1 3 301.434 2.645 20 0 DFADHO COC(C)(C)C[NH2+][C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180170676 426840976 /nfs/dbraw/zinc/84/09/76/426840976.db2.gz VBDSXHNZKJDUCY-SQNIBIBYSA-N 1 3 302.462 2.912 20 0 DFADHO Cc1cccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1C ZINC000282156190 426841405 /nfs/dbraw/zinc/84/14/05/426841405.db2.gz DCAUSIAURRYDGR-KRWDZBQOSA-N 1 3 303.494 2.980 20 0 DFADHO C[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])N1CCC(C)CC1 ZINC000246544860 426844105 /nfs/dbraw/zinc/84/41/05/426844105.db2.gz SOMXIKGBCNREDA-BRWVUGGUSA-N 1 3 309.498 2.521 20 0 DFADHO Cc1ccccc1C[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000282193568 426847979 /nfs/dbraw/zinc/84/79/79/426847979.db2.gz BQQRUDRTPGXQQS-UHFFFAOYSA-N 1 3 303.494 2.843 20 0 DFADHO Cc1ccccc1C[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000282193568 426847987 /nfs/dbraw/zinc/84/79/87/426847987.db2.gz BQQRUDRTPGXQQS-UHFFFAOYSA-N 1 3 303.494 2.843 20 0 DFADHO CC(C)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000282194029 426851127 /nfs/dbraw/zinc/85/11/27/426851127.db2.gz GKIVFIOLYBPWLU-SFHVURJKSA-N 1 3 303.494 2.999 20 0 DFADHO CN1CCN(CC[NH2+]C2CC(c3ccccc3)C2)CC1(C)C ZINC000282203404 426851972 /nfs/dbraw/zinc/85/19/72/426851972.db2.gz GWJQFJSEJUUONS-UHFFFAOYSA-N 1 3 301.478 2.548 20 0 DFADHO C[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000275800590 426921378 /nfs/dbraw/zinc/92/13/78/426921378.db2.gz YIMCWGRMMFSJTN-INIZCTEOSA-N 1 3 319.493 2.762 20 0 DFADHO C[C@@H](CCc1ccccc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282236212 426860504 /nfs/dbraw/zinc/86/05/04/426860504.db2.gz IUSXJDPWEQMXGP-KRWDZBQOSA-N 1 3 303.494 2.623 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246827566 426869775 /nfs/dbraw/zinc/86/97/75/426869775.db2.gz AYHHDINUKGWZQJ-UONOGXRCSA-N 1 3 313.486 2.610 20 0 DFADHO CC[N@H+]1CC[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246827566 426869778 /nfs/dbraw/zinc/86/97/78/426869778.db2.gz AYHHDINUKGWZQJ-UONOGXRCSA-N 1 3 313.486 2.610 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3OC)C2)[C@H](C)C1 ZINC000246870379 426875864 /nfs/dbraw/zinc/87/58/64/426875864.db2.gz CZBAVRJXOMXGON-IKGGRYGDSA-N 1 3 317.477 2.594 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3OC)C2)[C@H](C)C1 ZINC000246870379 426875869 /nfs/dbraw/zinc/87/58/69/426875869.db2.gz CZBAVRJXOMXGON-IKGGRYGDSA-N 1 3 317.477 2.594 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(OCCN(C)C)cc1 ZINC000305106344 426880374 /nfs/dbraw/zinc/88/03/74/426880374.db2.gz DDENMNBBNKOYIB-VDZJLULYSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@@H](C[NH+]1CCC(N(C)CCCO)CC1)c1ccc(F)cc1 ZINC000275648008 426886435 /nfs/dbraw/zinc/88/64/35/426886435.db2.gz BPPDLUGAJOMRON-HNNXBMFYSA-N 1 3 308.441 2.708 20 0 DFADHO c1ncc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[nH]1 ZINC000291463069 426888748 /nfs/dbraw/zinc/88/87/48/426888748.db2.gz NVTJMJTVEVBNMH-UHFFFAOYSA-N 1 3 310.445 2.898 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCN2c3ccccc3C[C@H]2C)[C@@H](C)C1 ZINC000246992902 426889075 /nfs/dbraw/zinc/88/90/75/426889075.db2.gz KWGNQSMKHMVUNA-JZXOWHBKSA-N 1 3 301.478 2.758 20 0 DFADHO CC[N@H+]1CC[C@H](NCCN2c3ccccc3C[C@H]2C)[C@@H](C)C1 ZINC000246992902 426889086 /nfs/dbraw/zinc/88/90/86/426889086.db2.gz KWGNQSMKHMVUNA-JZXOWHBKSA-N 1 3 301.478 2.758 20 0 DFADHO CC(C)Oc1ccccc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282363319 426892876 /nfs/dbraw/zinc/89/28/76/426892876.db2.gz NKFSVAJZIPHAIO-UHFFFAOYSA-N 1 3 319.493 2.589 20 0 DFADHO COc1cc(C[NH2+]C[C@H](C)CN(C)C)ccc1OC(F)F ZINC000291692449 426954441 /nfs/dbraw/zinc/95/44/41/426954441.db2.gz JCUHOXUMOSYRON-NSHDSACASA-N 1 3 302.365 2.584 20 0 DFADHO CN(C)CCOCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000318813552 426959468 /nfs/dbraw/zinc/95/94/68/426959468.db2.gz IYYUHFATUYYTHT-KRWDZBQOSA-N 1 3 301.434 2.713 20 0 DFADHO Cc1ccc(C[NH2+]C[C@H](C)CN(C)C)c(-c2cnn(C)c2)c1 ZINC000291739135 426971112 /nfs/dbraw/zinc/97/11/12/426971112.db2.gz OTWCYFCVZWRFDR-HNNXBMFYSA-N 1 3 300.450 2.683 20 0 DFADHO Cc1ccc(CNC[C@H](C)C[NH+](C)C)c(-c2cnn(C)c2)c1 ZINC000291739135 426971116 /nfs/dbraw/zinc/97/11/16/426971116.db2.gz OTWCYFCVZWRFDR-HNNXBMFYSA-N 1 3 300.450 2.683 20 0 DFADHO O[C@@H](CN1CCC(CCC[NH+]2CCCC2)CC1)CC(F)(F)F ZINC000189743506 426939900 /nfs/dbraw/zinc/93/99/00/426939900.db2.gz ZQCMFVUAHCWLPU-OAHLLOKOSA-N 1 3 322.415 2.888 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)CCC(C)(C)[NH3+])c1ccccc1 ZINC000315936517 426940305 /nfs/dbraw/zinc/94/03/05/426940305.db2.gz IHYHLTKNGOZAMM-INIZCTEOSA-N 1 3 305.466 2.703 20 0 DFADHO C[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[C@@H]1O ZINC000190056689 427010577 /nfs/dbraw/zinc/01/05/77/427010577.db2.gz VXMSVTMMXLLFKO-AEFFLSMTSA-N 1 3 304.478 2.847 20 0 DFADHO C[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1O ZINC000190056689 427010584 /nfs/dbraw/zinc/01/05/84/427010584.db2.gz VXMSVTMMXLLFKO-AEFFLSMTSA-N 1 3 304.478 2.847 20 0 DFADHO C[C@H]1CCCC[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000248590519 427019829 /nfs/dbraw/zinc/01/98/29/427019829.db2.gz ZFGNFAVPTREZIK-FUHWJXTLSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@H]1CCCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000248590519 427019838 /nfs/dbraw/zinc/01/98/38/427019838.db2.gz ZFGNFAVPTREZIK-FUHWJXTLSA-N 1 3 317.477 2.528 20 0 DFADHO O[C@H](CCc1ccccc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000182243791 427037077 /nfs/dbraw/zinc/03/70/77/427037077.db2.gz ZGRBVFMQLKIXHL-HXUWFJFHSA-N 1 3 316.489 2.788 20 0 DFADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)[C@@]2(CC)CCC[NH2+]2)C1 ZINC000248755853 427039462 /nfs/dbraw/zinc/03/94/62/427039462.db2.gz VDCYCJBNDJONGZ-CRAIPNDOSA-N 1 3 309.498 2.535 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@H](CNc2ccccn2)C1 ZINC000268545126 427049692 /nfs/dbraw/zinc/04/96/92/427049692.db2.gz LYQOLZHNHOIXEJ-SJORKVTESA-N 1 3 302.466 2.690 20 0 DFADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@H](CNc2ccccn2)C1 ZINC000268545126 427049698 /nfs/dbraw/zinc/04/96/98/427049698.db2.gz LYQOLZHNHOIXEJ-SJORKVTESA-N 1 3 302.466 2.690 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000292037740 427066231 /nfs/dbraw/zinc/06/62/31/427066231.db2.gz XKLAWFDDXSXQKR-UHFFFAOYSA-N 1 3 303.450 2.727 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337989183 427076173 /nfs/dbraw/zinc/07/61/73/427076173.db2.gz LGQCLGGZLPKILB-ZWKOTPCHSA-N 1 3 313.505 2.912 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCCc2ccc(O)cc21 ZINC000283916461 427099009 /nfs/dbraw/zinc/09/90/09/427099009.db2.gz DODSDIPLUAQZNJ-FUHWJXTLSA-N 1 3 306.450 2.716 20 0 DFADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000268718059 427099831 /nfs/dbraw/zinc/09/98/31/427099831.db2.gz JSTTVPKYFFAWEJ-AWEZNQCLSA-N 1 3 306.450 2.977 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000268802786 427122622 /nfs/dbraw/zinc/12/26/22/427122622.db2.gz HXFRMGPBLKINQV-HZPDHXFCSA-N 1 3 317.477 2.533 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000268802786 427122627 /nfs/dbraw/zinc/12/26/27/427122627.db2.gz HXFRMGPBLKINQV-HZPDHXFCSA-N 1 3 317.477 2.533 20 0 DFADHO C[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1CCCCCC1 ZINC000175113942 271148153 /nfs/dbraw/zinc/14/81/53/271148153.db2.gz FHOPDZIVJTVTNJ-CQSZACIVSA-N 1 3 309.498 2.676 20 0 DFADHO CCC[NH+]1CCC(NC[C@@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC000227716556 271238622 /nfs/dbraw/zinc/23/86/22/271238622.db2.gz KNEFTWIXICAOOF-CQSZACIVSA-N 1 3 313.486 2.754 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C1(C[NH3+])CCCC1)c1ccsc1 ZINC000236873517 271240938 /nfs/dbraw/zinc/24/09/38/271240938.db2.gz VVNDSWZTBHZJMH-OAHLLOKOSA-N 1 3 323.506 2.766 20 0 DFADHO [NH3+]CC1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCCC1 ZINC000238053053 271255941 /nfs/dbraw/zinc/25/59/41/271255941.db2.gz MWJGVLXNMFQXND-CQSZACIVSA-N 1 3 321.490 2.520 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCc2c1c(F)ccc2F ZINC000269883830 271288033 /nfs/dbraw/zinc/28/80/33/271288033.db2.gz BEKZNYRYECDVOC-BLLLJJGKSA-N 1 3 312.404 2.899 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000338174829 427171169 /nfs/dbraw/zinc/17/11/69/427171169.db2.gz LERIVKATDKTZPT-INIZCTEOSA-N 1 3 317.477 2.695 20 0 DFADHO CC(C)c1nc([C@@H]2CCCN(CC[C@H]3CCC[NH2+]C3)C2)no1 ZINC000333639031 271381844 /nfs/dbraw/zinc/38/18/44/271381844.db2.gz HVWBWCNWFZXPLD-HUUCEWRRSA-N 1 3 306.454 2.762 20 0 DFADHO C[C@H]1C[C@H](CCNCc2cncn2C)C[N@@H+]1Cc1ccccc1 ZINC000338196216 427185179 /nfs/dbraw/zinc/18/51/79/427185179.db2.gz NIBNKRDOLYRWHK-WMZOPIPTSA-N 1 3 312.461 2.810 20 0 DFADHO C[C@H]1C[C@H](CCNCc2cncn2C)C[N@H+]1Cc1ccccc1 ZINC000338196216 427185186 /nfs/dbraw/zinc/18/51/86/427185186.db2.gz NIBNKRDOLYRWHK-WMZOPIPTSA-N 1 3 312.461 2.810 20 0 DFADHO C[C@@H]1C[C@H](CCNCc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000338201053 427188645 /nfs/dbraw/zinc/18/86/45/427188645.db2.gz YFASCWTWAFDBIR-AEFFLSMTSA-N 1 3 312.461 2.810 20 0 DFADHO C[C@@H]1C[C@H](CCNCc2cnn(C)c2)C[N@H+]1Cc1ccccc1 ZINC000338201053 427188651 /nfs/dbraw/zinc/18/86/51/427188651.db2.gz YFASCWTWAFDBIR-AEFFLSMTSA-N 1 3 312.461 2.810 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000292549663 427192604 /nfs/dbraw/zinc/19/26/04/427192604.db2.gz SLJVVCJXCFHJAM-DOTOQJQBSA-N 1 3 317.477 2.750 20 0 DFADHO C[C@@H](CO)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183132058 427207473 /nfs/dbraw/zinc/20/74/73/427207473.db2.gz GGAVIIJAEMBEMR-XGXHKWSGSA-N 1 3 302.462 2.505 20 0 DFADHO CCOCC[NH2+][C@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183130073 427207494 /nfs/dbraw/zinc/20/74/94/427207494.db2.gz AOALRBVAGMHLFR-QYZOEREBSA-N 1 3 302.462 2.913 20 0 DFADHO CCOCCN[C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130073 427207499 /nfs/dbraw/zinc/20/74/99/427207499.db2.gz AOALRBVAGMHLFR-QYZOEREBSA-N 1 3 302.462 2.913 20 0 DFADHO CCOCCN[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130073 427207506 /nfs/dbraw/zinc/20/75/06/427207506.db2.gz AOALRBVAGMHLFR-QYZOEREBSA-N 1 3 302.462 2.913 20 0 DFADHO C[C@@H](O)CC[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183142284 427211126 /nfs/dbraw/zinc/21/11/26/427211126.db2.gz SJVOZGCFDJLRJE-BVBHFADKSA-N 1 3 302.462 2.648 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183192655 427220522 /nfs/dbraw/zinc/22/05/22/427220522.db2.gz NHPLMEHOGVAICF-GVDBMIGSSA-N 1 3 323.525 2.876 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183192655 427220527 /nfs/dbraw/zinc/22/05/27/427220527.db2.gz NHPLMEHOGVAICF-GVDBMIGSSA-N 1 3 323.525 2.876 20 0 DFADHO CCN(CC)C(=O)C[C@H](C)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183192655 427220532 /nfs/dbraw/zinc/22/05/32/427220532.db2.gz NHPLMEHOGVAICF-GVDBMIGSSA-N 1 3 323.525 2.876 20 0 DFADHO C[NH+](C)C1(CNC(=O)C[C@H](N)c2ccccc2)CCCCCC1 ZINC000269535465 427221754 /nfs/dbraw/zinc/22/17/54/427221754.db2.gz YHTSOJVNDJMDFR-KRWDZBQOSA-N 1 3 317.477 2.847 20 0 DFADHO CC[NH+](CC)CCCN1CCCN(Cc2ccccc2)CC1 ZINC000338265384 427224244 /nfs/dbraw/zinc/22/42/44/427224244.db2.gz VXUIOJKNAXVIDU-UHFFFAOYSA-N 1 3 303.494 2.926 20 0 DFADHO CSc1ccc([C@H](CNC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000293292394 427275460 /nfs/dbraw/zinc/27/54/60/427275460.db2.gz DICHGYWYNUHSBQ-KRWDZBQOSA-N 1 3 307.507 2.695 20 0 DFADHO CCOC(=O)CC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285655057 427301131 /nfs/dbraw/zinc/30/11/31/427301131.db2.gz SPPWMKBOUGSABW-IBGZPJMESA-N 1 3 316.445 2.538 20 0 DFADHO CCOC(=O)CC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285655057 427301132 /nfs/dbraw/zinc/30/11/32/427301132.db2.gz SPPWMKBOUGSABW-IBGZPJMESA-N 1 3 316.445 2.538 20 0 DFADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(OC)c(OC)c1C ZINC000285676685 427306810 /nfs/dbraw/zinc/30/68/10/427306810.db2.gz NQYUUWFCWQFHBJ-OAHLLOKOSA-N 1 3 324.465 2.631 20 0 DFADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(OC)c(OC)c1C ZINC000285676685 427306816 /nfs/dbraw/zinc/30/68/16/427306816.db2.gz NQYUUWFCWQFHBJ-OAHLLOKOSA-N 1 3 324.465 2.631 20 0 DFADHO C[C@H](Cc1cccc(Cl)c1)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000338429140 427317087 /nfs/dbraw/zinc/31/70/87/427317087.db2.gz DHXVMERSEAEWAI-QAPCUYQASA-N 1 3 324.896 2.953 20 0 DFADHO Cc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000338444057 427325473 /nfs/dbraw/zinc/32/54/73/427325473.db2.gz LSAWSJRSWIEAAU-RDJZCZTQSA-N 1 3 312.461 2.968 20 0 DFADHO Cc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000338444057 427325479 /nfs/dbraw/zinc/32/54/79/427325479.db2.gz LSAWSJRSWIEAAU-RDJZCZTQSA-N 1 3 312.461 2.968 20 0 DFADHO C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261722166 427339697 /nfs/dbraw/zinc/33/96/97/427339697.db2.gz GBEPZGAFMYCOBV-HKUYNNGSSA-N 1 3 301.478 2.582 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293497092 427344040 /nfs/dbraw/zinc/34/40/40/427344040.db2.gz SHCOIXBWARLHRJ-INIZCTEOSA-N 1 3 317.477 2.915 20 0 DFADHO NC[C@@H](NC(=O)C1([NH3+])CCCCC1)c1ccc2ccccc2c1 ZINC000262789026 427372459 /nfs/dbraw/zinc/37/24/59/427372459.db2.gz NLMNYCHZLIRYAO-QGZVFWFLSA-N 1 3 311.429 2.617 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](OC)c2ccccc2)C1 ZINC000338549513 427374456 /nfs/dbraw/zinc/37/44/56/427374456.db2.gz RRQOQEFNCRZPPN-RTBURBONSA-N 1 3 320.477 2.807 20 0 DFADHO COC(=O)C(C)(C)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000338563026 427383188 /nfs/dbraw/zinc/38/31/88/427383188.db2.gz HGXCWCDKBIJTOJ-GOEBONIOSA-N 1 3 308.466 2.524 20 0 DFADHO COC(=O)C(C)(C)CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000338563026 427383189 /nfs/dbraw/zinc/38/31/89/427383189.db2.gz HGXCWCDKBIJTOJ-GOEBONIOSA-N 1 3 308.466 2.524 20 0 DFADHO CS[C@H]1CCCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191589816 427384773 /nfs/dbraw/zinc/38/47/73/427384773.db2.gz JOMKOVVDWQSJLS-KRWDZBQOSA-N 1 3 313.555 2.620 20 0 DFADHO CS[C@H]1CCCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191589816 427384784 /nfs/dbraw/zinc/38/47/84/427384784.db2.gz JOMKOVVDWQSJLS-KRWDZBQOSA-N 1 3 313.555 2.620 20 0 DFADHO CCC[C@@](C)(N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000263073103 427407912 /nfs/dbraw/zinc/40/79/12/427407912.db2.gz ZXTGHIZMBRKLRR-CYBMUJFWSA-N 1 3 303.328 2.620 20 0 DFADHO C[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1cscn1 ZINC000271146023 427415793 /nfs/dbraw/zinc/41/57/93/427415793.db2.gz PKQUVLUXSKDHRX-CQSZACIVSA-N 1 3 319.474 2.977 20 0 DFADHO CN(CC1CC[NH2+]CC1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000262303499 427355059 /nfs/dbraw/zinc/35/50/59/427355059.db2.gz XVUXUAWFNNRKKQ-SFHVURJKSA-N 1 3 316.424 2.580 20 0 DFADHO C[C@@H](CCO)CC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000297225228 427365986 /nfs/dbraw/zinc/36/59/86/427365986.db2.gz HMWHRQCIVOPABJ-CVEARBPZSA-N 1 3 308.466 2.686 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)CN(C)C ZINC000293824169 427450263 /nfs/dbraw/zinc/45/02/63/427450263.db2.gz WFXFLTZEVQNURH-KBPBESRZSA-N 1 3 318.465 2.819 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000192037988 427467826 /nfs/dbraw/zinc/46/78/26/427467826.db2.gz RCTJKCJZHFLLBV-QGZVFWFLSA-N 1 3 312.461 2.954 20 0 DFADHO Cc1cc(-n2ccnc2)ccc1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000192037988 427467833 /nfs/dbraw/zinc/46/78/33/427467833.db2.gz RCTJKCJZHFLLBV-QGZVFWFLSA-N 1 3 312.461 2.954 20 0 DFADHO CC(C)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271284199 427481962 /nfs/dbraw/zinc/48/19/62/427481962.db2.gz OOKCKZXCRWIULF-LJQANCHMSA-N 1 3 301.478 2.535 20 0 DFADHO CC(C)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271284199 427481968 /nfs/dbraw/zinc/48/19/68/427481968.db2.gz OOKCKZXCRWIULF-LJQANCHMSA-N 1 3 301.478 2.535 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccnc(N)c1 ZINC000278871989 427484438 /nfs/dbraw/zinc/48/44/38/427484438.db2.gz OEMSPDADHQYDKV-QAPCUYQASA-N 1 3 310.445 2.664 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccnc(N)c1 ZINC000278871989 427484445 /nfs/dbraw/zinc/48/44/45/427484445.db2.gz OEMSPDADHQYDKV-QAPCUYQASA-N 1 3 310.445 2.664 20 0 DFADHO C[C@H]1C[N@H+](CCCN[C@@H]2CCc3cc(F)ccc32)CCCO1 ZINC000278363083 427429903 /nfs/dbraw/zinc/42/99/03/427429903.db2.gz BLWYNIWRVGCSTN-KBXCAEBGSA-N 1 3 306.425 2.904 20 0 DFADHO C[C@H]1C[N@@H+](CCCN[C@@H]2CCc3cc(F)ccc32)CCCO1 ZINC000278363083 427429910 /nfs/dbraw/zinc/42/99/10/427429910.db2.gz BLWYNIWRVGCSTN-KBXCAEBGSA-N 1 3 306.425 2.904 20 0 DFADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc2c(c1)CCCC2 ZINC000341033208 271771215 /nfs/dbraw/zinc/77/12/15/271771215.db2.gz KMSQMHLBGXMDNC-BEFAXECRSA-N 1 3 302.462 2.673 20 0 DFADHO CC(C)[C@@H](O)C(C)(C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297740283 427442102 /nfs/dbraw/zinc/44/21/02/427442102.db2.gz SYEUHWOODMENRN-QGZVFWFLSA-N 1 3 305.466 2.683 20 0 DFADHO CC(C)Cc1cccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000286176511 427447301 /nfs/dbraw/zinc/44/73/01/427447301.db2.gz QQYSPTBXLZBSDD-INIZCTEOSA-N 1 3 304.478 2.992 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC1([C@@H](O)c2ccccc2)CC1 ZINC000271479736 427554514 /nfs/dbraw/zinc/55/45/14/427554514.db2.gz IUXKNURTFXUUKC-AHCXZYCDSA-N 1 3 302.462 2.819 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC1([C@@H](O)c2ccccc2)CC1 ZINC000271479736 427554519 /nfs/dbraw/zinc/55/45/19/427554519.db2.gz IUXKNURTFXUUKC-AHCXZYCDSA-N 1 3 302.462 2.819 20 0 DFADHO c1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CCN(c4ccncc4)CC3)[C@H]21 ZINC000298019100 427501930 /nfs/dbraw/zinc/50/19/30/427501930.db2.gz DLSLPOFMMZPBCS-XUVXKRRUSA-N 1 3 305.425 2.978 20 0 DFADHO c1ccc(N2CC[C@@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000294121041 427554685 /nfs/dbraw/zinc/55/46/85/427554685.db2.gz DQBLXWKMBRKETE-GOSISDBHSA-N 1 3 322.456 2.919 20 0 DFADHO C[C@H](CN1CCC[C@H](C)C1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298233395 427541199 /nfs/dbraw/zinc/54/11/99/427541199.db2.gz BMVBLQNSDKCBEP-DLBZAZTESA-N 1 3 316.493 2.760 20 0 DFADHO Cc1cccc2nc(CNC3CCN(c4cc[nH+]cc4)CC3)cn21 ZINC000298231866 427542781 /nfs/dbraw/zinc/54/27/81/427542781.db2.gz BKKMWJIPANPYSI-UHFFFAOYSA-N 1 3 321.428 2.796 20 0 DFADHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2cccc(F)c2)CC1 ZINC000263757853 427560527 /nfs/dbraw/zinc/56/05/27/427560527.db2.gz XQKLGDJXSLNCLM-UHFFFAOYSA-N 1 3 321.440 2.959 20 0 DFADHO CN(C)[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccco1 ZINC000298345156 427577851 /nfs/dbraw/zinc/57/78/51/427577851.db2.gz JKYCDWVVAXISBL-QGZVFWFLSA-N 1 3 314.433 2.536 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000287335764 427580610 /nfs/dbraw/zinc/58/06/10/427580610.db2.gz MQVDOLPGWFWASM-OKYOBFRVSA-N 1 3 300.446 2.666 20 0 DFADHO CC(C)N1CCN(CCC[N@H+](C)CCCc2ccccc2)CC1 ZINC000192721296 427595286 /nfs/dbraw/zinc/59/52/86/427595286.db2.gz DBXJEOHHWCLUTG-UHFFFAOYSA-N 1 3 317.521 2.967 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+](C)CCCc2ccccc2)CC1 ZINC000192721296 427595295 /nfs/dbraw/zinc/59/52/95/427595295.db2.gz DBXJEOHHWCLUTG-UHFFFAOYSA-N 1 3 317.521 2.967 20 0 DFADHO CC[C@@H](O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000339008968 427623625 /nfs/dbraw/zinc/62/36/25/427623625.db2.gz DOGLRPMVCKUDJR-RTBURBONSA-N 1 3 302.462 2.745 20 0 DFADHO CC[C@@H](O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000339008968 427623632 /nfs/dbraw/zinc/62/36/32/427623632.db2.gz DOGLRPMVCKUDJR-RTBURBONSA-N 1 3 302.462 2.745 20 0 DFADHO CC(C)N1CCN(CCC[N@H+](C)CCc2ccccc2)CC1 ZINC000192722898 427596997 /nfs/dbraw/zinc/59/69/97/427596997.db2.gz CUPPWGZPYQLZBL-UHFFFAOYSA-N 1 3 303.494 2.577 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+](C)CCc2ccccc2)CC1 ZINC000192722898 427597001 /nfs/dbraw/zinc/59/70/01/427597001.db2.gz CUPPWGZPYQLZBL-UHFFFAOYSA-N 1 3 303.494 2.577 20 0 DFADHO Cc1ccc([C@@H](O)C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000294247265 427597642 /nfs/dbraw/zinc/59/76/42/427597642.db2.gz PSMWHMNIHXHSAR-IBGZPJMESA-N 1 3 311.429 2.682 20 0 DFADHO CC(C)N1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000294269265 427606420 /nfs/dbraw/zinc/60/64/20/427606420.db2.gz ROVASZQKPAAJBU-UHFFFAOYSA-N 1 3 302.466 2.513 20 0 DFADHO Cc1cccc2c(N[C@H](C)CN3CCN(C)CC3)c(C)c[nH+]c12 ZINC000185302239 427628636 /nfs/dbraw/zinc/62/86/36/427628636.db2.gz FQGGWADVICERJI-MRXNPFEDSA-N 1 3 312.461 2.899 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC[C@](C)(O)c1cccc(Cl)c1 ZINC000185309151 427629462 /nfs/dbraw/zinc/62/94/62/427629462.db2.gz NJHNSADWEJUFBN-GFOFROLCSA-N 1 3 310.869 2.866 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC[C@](C)(O)c1cccc(Cl)c1 ZINC000185309151 427629469 /nfs/dbraw/zinc/62/94/69/427629469.db2.gz NJHNSADWEJUFBN-GFOFROLCSA-N 1 3 310.869 2.866 20 0 DFADHO C[C@](O)(C[NH2+]C1CCN(c2ccncc2)CC1)c1cccs1 ZINC000294339937 427630788 /nfs/dbraw/zinc/63/07/88/427630788.db2.gz YIVMTDRJSPSRHS-KRWDZBQOSA-N 1 3 317.458 2.609 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287550493 427635192 /nfs/dbraw/zinc/63/51/92/427635192.db2.gz AQYLWWUHHPEZAK-DOTOQJQBSA-N 1 3 310.869 2.517 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287550493 427635199 /nfs/dbraw/zinc/63/51/99/427635199.db2.gz AQYLWWUHHPEZAK-DOTOQJQBSA-N 1 3 310.869 2.517 20 0 DFADHO CN(C)Cc1ccccc1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000185354076 427640387 /nfs/dbraw/zinc/64/03/87/427640387.db2.gz IEEQHZAJQPXPCF-UHFFFAOYSA-N 1 3 317.477 2.664 20 0 DFADHO C[C@@H]1C[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)CC(C)(C)C1 ZINC000333554743 427647847 /nfs/dbraw/zinc/64/78/47/427647847.db2.gz JZHWLSUMCLBIPY-OCCSQVGLSA-N 1 3 305.470 2.576 20 0 DFADHO C(N[C@H]1CCCC12CCCCC2)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333559871 427648165 /nfs/dbraw/zinc/64/81/65/427648165.db2.gz KTSUGKVYFQZFAY-HNNXBMFYSA-N 1 3 317.481 2.864 20 0 DFADHO CCN1CCN(CCC[NH2+]Cc2sccc2Cl)CC1 ZINC000193003336 427650122 /nfs/dbraw/zinc/65/01/22/427650122.db2.gz XRIUTMABEDPKNY-UHFFFAOYSA-N 1 3 301.887 2.519 20 0 DFADHO C[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)[C@@H]1CCCC[C@H]1C ZINC000333576717 427651739 /nfs/dbraw/zinc/65/17/39/427651739.db2.gz NFIHSRMNLPDRNZ-VNHYZAJKSA-N 1 3 305.470 2.576 20 0 DFADHO Cc1nn(C)c2sc([C@H](C)[NH2+]CC3=CCN(C)CC3)cc12 ZINC000287610423 427652504 /nfs/dbraw/zinc/65/25/04/427652504.db2.gz JDMNIQBJUPBEHS-LBPRGKRZSA-N 1 3 304.463 2.856 20 0 DFADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccncc1OCCN(C)C ZINC000342413697 272007478 /nfs/dbraw/zinc/00/74/78/272007478.db2.gz IWTMZBCFNXLBOV-ZBFHGGJFSA-N 1 3 305.466 2.936 20 0 DFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)N1CCCCCC1)CC2 ZINC000342561505 272024523 /nfs/dbraw/zinc/02/45/23/272024523.db2.gz BEFWRSKVXIAZCR-KURKYZTESA-N 1 3 321.509 2.725 20 0 DFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)N1CCCCCC1)CC2 ZINC000342561505 272024524 /nfs/dbraw/zinc/02/45/24/272024524.db2.gz BEFWRSKVXIAZCR-KURKYZTESA-N 1 3 321.509 2.725 20 0 DFADHO Cn1cc(CN2CCC(C[NH+](C)C)CC2)c(-c2ccccc2)n1 ZINC000342679086 272040770 /nfs/dbraw/zinc/04/07/70/272040770.db2.gz DLIAQNRDTXGWCX-UHFFFAOYSA-N 1 3 312.461 2.861 20 0 DFADHO CCC1CC([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1 ZINC000342689220 272042496 /nfs/dbraw/zinc/04/24/96/272042496.db2.gz NGLCRIZWFLUENH-UHFFFAOYSA-N 1 3 302.462 2.922 20 0 DFADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)N1CCCCC1 ZINC000342749292 272049926 /nfs/dbraw/zinc/04/99/26/272049926.db2.gz YSGWLNHASVJWIP-FGTMMUONSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000193128163 427669435 /nfs/dbraw/zinc/66/94/35/427669435.db2.gz KMGIPUJUUVDUKY-MAUKXSAKSA-N 1 3 307.526 2.959 20 0 DFADHO C[NH+](C)C1CCN(CCNCc2sccc2Cl)CC1 ZINC000193138636 427671853 /nfs/dbraw/zinc/67/18/53/427671853.db2.gz HIRQVUZQHRQRNF-UHFFFAOYSA-N 1 3 301.887 2.517 20 0 DFADHO CCC[C@@H](C)NC(=O)[C@H](C)N1CCC(C[NH+](CC)CC)CC1 ZINC000343573120 272173026 /nfs/dbraw/zinc/17/30/26/272173026.db2.gz AWEGAPGNLPKTPP-CVEARBPZSA-N 1 3 311.514 2.734 20 0 DFADHO C[N@@H+]1CC[C@](O)(CN[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000343569499 272173368 /nfs/dbraw/zinc/17/33/68/272173368.db2.gz RXIZSXDZZVTMBW-UXHICEINSA-N 1 3 310.441 2.627 20 0 DFADHO C[N@H+]1CC[C@](O)(CN[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000343569499 272173370 /nfs/dbraw/zinc/17/33/70/272173370.db2.gz RXIZSXDZZVTMBW-UXHICEINSA-N 1 3 310.441 2.627 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](C)COC)CC1 ZINC000343857998 272230226 /nfs/dbraw/zinc/23/02/26/272230226.db2.gz AAYHFABRJHUQFB-KRWDZBQOSA-N 1 3 319.493 2.591 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](C)COC)CC1 ZINC000343858004 272230785 /nfs/dbraw/zinc/23/07/85/272230785.db2.gz AAYHFABRJHUQFB-QGZVFWFLSA-N 1 3 319.493 2.591 20 0 DFADHO C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343891621 272233115 /nfs/dbraw/zinc/23/31/15/272233115.db2.gz YVSKKWSJOIWMFQ-MDZRGWNJSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343891621 272233117 /nfs/dbraw/zinc/23/31/17/272233117.db2.gz YVSKKWSJOIWMFQ-MDZRGWNJSA-N 1 3 319.468 2.845 20 0 DFADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccncc2OCCN(C)C)[C@H](C)C1 ZINC000343948325 272242632 /nfs/dbraw/zinc/24/26/32/272242632.db2.gz XYDHIUNJYYNANH-BFYDXBDKSA-N 1 3 305.466 2.936 20 0 DFADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccncc2OCCN(C)C)[C@@H](C)C1 ZINC000343948326 272242716 /nfs/dbraw/zinc/24/27/16/272242716.db2.gz XYDHIUNJYYNANH-HLLBOEOZSA-N 1 3 305.466 2.936 20 0 DFADHO C[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)CN1CCCC1 ZINC000193272276 427680748 /nfs/dbraw/zinc/68/07/48/427680748.db2.gz UWZGCIGAHRQECO-INIZCTEOSA-N 1 3 302.462 2.876 20 0 DFADHO C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)N1CCCCCC1 ZINC000344027204 272251209 /nfs/dbraw/zinc/25/12/09/272251209.db2.gz DOWXYDBREICHOR-AOIWGVFYSA-N 1 3 323.525 2.878 20 0 DFADHO C/C(=C/c1ccccc1)C[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000344222007 272290318 /nfs/dbraw/zinc/29/03/18/272290318.db2.gz RDDPHSHYUSSFPC-LYPXWFNGSA-N 1 3 302.462 2.772 20 0 DFADHO C[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)N1CCCCCC1 ZINC000344740258 272364211 /nfs/dbraw/zinc/36/42/11/272364211.db2.gz LCSPAAIDYCLGOZ-IAGOWNOFSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)N1CCCCCC1 ZINC000344740258 272364214 /nfs/dbraw/zinc/36/42/14/272364214.db2.gz LCSPAAIDYCLGOZ-IAGOWNOFSA-N 1 3 321.509 2.584 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295103113 427693537 /nfs/dbraw/zinc/69/35/37/427693537.db2.gz VGOLUDVCXXGYIU-XYTVBORESA-N 1 3 315.461 2.927 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295103113 427693541 /nfs/dbraw/zinc/69/35/41/427693541.db2.gz VGOLUDVCXXGYIU-XYTVBORESA-N 1 3 315.461 2.927 20 0 DFADHO COCC[N@H+](C)CCCN[C@@H](C)c1cc2c(C)nn(C)c2s1 ZINC000287864803 427706463 /nfs/dbraw/zinc/70/64/63/427706463.db2.gz XQEUJNQDBXEKIW-ZDUSSCGKSA-N 1 3 324.494 2.562 20 0 DFADHO COCC[N@@H+](C)CCCN[C@@H](C)c1cc2c(C)nn(C)c2s1 ZINC000287864803 427706468 /nfs/dbraw/zinc/70/64/68/427706468.db2.gz XQEUJNQDBXEKIW-ZDUSSCGKSA-N 1 3 324.494 2.562 20 0 DFADHO CCN(CC)CCC[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000339163659 427711879 /nfs/dbraw/zinc/71/18/79/427711879.db2.gz DSUHLHOTMFQMLT-AWEZNQCLSA-N 1 3 323.447 2.971 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000339175332 427718085 /nfs/dbraw/zinc/71/80/85/427718085.db2.gz XCPVFNWSSBZAEV-DLBZAZTESA-N 1 3 310.482 2.964 20 0 DFADHO COC(=O)[C@H]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000193883649 427721017 /nfs/dbraw/zinc/72/10/17/427721017.db2.gz AXLOVYAPFWOGTD-GOEBONIOSA-N 1 3 308.466 2.715 20 0 DFADHO COC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000193883649 427721022 /nfs/dbraw/zinc/72/10/22/427721022.db2.gz AXLOVYAPFWOGTD-GOEBONIOSA-N 1 3 308.466 2.715 20 0 DFADHO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000339339236 427756580 /nfs/dbraw/zinc/75/65/80/427756580.db2.gz DZLWNOULQWAEIB-WBVHZDCISA-N 1 3 308.466 2.740 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)CC1CCCCC1 ZINC000336862347 427765156 /nfs/dbraw/zinc/76/51/56/427765156.db2.gz DRHAJLZXRAHZHL-NVXWUHKLSA-N 1 3 309.498 2.665 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)CC1CCCCC1 ZINC000336862347 427765157 /nfs/dbraw/zinc/76/51/57/427765157.db2.gz DRHAJLZXRAHZHL-NVXWUHKLSA-N 1 3 309.498 2.665 20 0 DFADHO C[C@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)N1CCCCCC1 ZINC000339199817 427728259 /nfs/dbraw/zinc/72/82/59/427728259.db2.gz BSDPZCVFSOKNAN-QGZVFWFLSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)N1CCCCCC1 ZINC000339199817 427728261 /nfs/dbraw/zinc/72/82/61/427728261.db2.gz BSDPZCVFSOKNAN-QGZVFWFLSA-N 1 3 321.509 2.585 20 0 DFADHO NC[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000337044392 427791752 /nfs/dbraw/zinc/79/17/52/427791752.db2.gz DQJKPVVOBKKLCL-HUUCEWRRSA-N 1 3 316.367 2.630 20 0 DFADHO NC[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000337044392 427791753 /nfs/dbraw/zinc/79/17/53/427791753.db2.gz DQJKPVVOBKKLCL-HUUCEWRRSA-N 1 3 316.367 2.630 20 0 DFADHO [NH3+]C[C@@H]1CN(CCCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000337044392 427791754 /nfs/dbraw/zinc/79/17/54/427791754.db2.gz DQJKPVVOBKKLCL-HUUCEWRRSA-N 1 3 316.367 2.630 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@@]1(C)CCCO1 ZINC000340479139 427858374 /nfs/dbraw/zinc/85/83/74/427858374.db2.gz WIPLZLSJZNWYFE-VQIMIIECSA-N 1 3 320.477 2.717 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@]1(C)CCCO1 ZINC000340479136 427858667 /nfs/dbraw/zinc/85/86/67/427858667.db2.gz WIPLZLSJZNWYFE-APWZRJJASA-N 1 3 320.477 2.717 20 0 DFADHO CC(C)OC[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000337321643 427843738 /nfs/dbraw/zinc/84/37/38/427843738.db2.gz ZOYYTHCKJYASJT-QFBILLFUSA-N 1 3 320.477 2.546 20 0 DFADHO CC(C)OC[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000337321643 427843741 /nfs/dbraw/zinc/84/37/41/427843741.db2.gz ZOYYTHCKJYASJT-QFBILLFUSA-N 1 3 320.477 2.546 20 0 DFADHO c1ccc(CN2CC[C@@H](N3CCC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000355686046 427847868 /nfs/dbraw/zinc/84/78/68/427847868.db2.gz YSMQEZNTXVTMAI-VQTJNVASSA-N 1 3 313.489 2.821 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCCOC1 ZINC000355747837 427872566 /nfs/dbraw/zinc/87/25/66/427872566.db2.gz WVNFYOACAVLGAX-DOTOQJQBSA-N 1 3 306.450 2.532 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@H]1CCCOC1 ZINC000355747839 427873191 /nfs/dbraw/zinc/87/31/91/427873191.db2.gz WVNFYOACAVLGAX-RDJZCZTQSA-N 1 3 306.450 2.532 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)CC(C)C ZINC000345730925 427879454 /nfs/dbraw/zinc/87/94/54/427879454.db2.gz ZZRSWHCJGCJRAP-ZACQAIPSSA-N 1 3 311.514 2.732 20 0 DFADHO CC[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N(CC)CC ZINC000345808978 427915563 /nfs/dbraw/zinc/91/55/63/427915563.db2.gz SYLCJXNFENRSID-HZPDHXFCSA-N 1 3 311.514 2.734 20 0 DFADHO CC[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N(CC)CC ZINC000345808978 427915569 /nfs/dbraw/zinc/91/55/69/427915569.db2.gz SYLCJXNFENRSID-HZPDHXFCSA-N 1 3 311.514 2.734 20 0 DFADHO CC(C)COCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000337469784 427920744 /nfs/dbraw/zinc/92/07/44/427920744.db2.gz OUYJZKYBDXPISJ-KDURUIRLSA-N 1 3 302.462 2.723 20 0 DFADHO CC(C)COCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000337469784 427920745 /nfs/dbraw/zinc/92/07/45/427920745.db2.gz OUYJZKYBDXPISJ-KDURUIRLSA-N 1 3 302.462 2.723 20 0 DFADHO CCN(CC[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340223303 427958790 /nfs/dbraw/zinc/95/87/90/427958790.db2.gz QLNDKMYAUNTWAY-HKUYNNGSSA-N 1 3 301.478 2.896 20 0 DFADHO CC1(C)CN(C[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000346855565 272695264 /nfs/dbraw/zinc/69/52/64/272695264.db2.gz ODZPGKGGYCTGDC-SFHVURJKSA-N 1 3 301.478 2.582 20 0 DFADHO CCN1CCC[C@@H]1C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340180313 427947980 /nfs/dbraw/zinc/94/79/80/427947980.db2.gz HKNXPBOQXHJMFQ-OTWHNJEPSA-N 1 3 301.478 2.896 20 0 DFADHO CC[C@@H](C(=O)NC[C@H](c1ccccc1)N(C)C)[NH+](CC)CC ZINC000345925559 427953053 /nfs/dbraw/zinc/95/30/53/427953053.db2.gz DCUSRHKZIQFCSO-DLBZAZTESA-N 1 3 305.466 2.526 20 0 DFADHO COC(=O)c1cccc(CN2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000369721490 428044459 /nfs/dbraw/zinc/04/44/59/428044459.db2.gz NDPOHQKLVYZQNR-UHFFFAOYSA-N 1 3 316.445 2.781 20 0 DFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC1CCN(CC(F)F)CC1 ZINC000341371201 428051207 /nfs/dbraw/zinc/05/12/07/428051207.db2.gz SEAQMNTUYSFXJX-MRXNPFEDSA-N 1 3 317.468 2.816 20 0 DFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC1CCN(CC(F)F)CC1 ZINC000341371201 428051213 /nfs/dbraw/zinc/05/12/13/428051213.db2.gz SEAQMNTUYSFXJX-MRXNPFEDSA-N 1 3 317.468 2.816 20 0 DFADHO CCCN1CCN(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000369776761 428060258 /nfs/dbraw/zinc/06/02/58/428060258.db2.gz CZNVYQMIKDVFTA-GOSISDBHSA-N 1 3 305.510 2.835 20 0 DFADHO C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(F)c2ccccc21 ZINC000340357741 427998202 /nfs/dbraw/zinc/99/82/02/427998202.db2.gz IDUSFJLXWHYDPE-UGSOOPFHSA-N 1 3 302.393 2.696 20 0 DFADHO C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(F)c2ccccc21 ZINC000340357741 427998210 /nfs/dbraw/zinc/99/82/10/427998210.db2.gz IDUSFJLXWHYDPE-UGSOOPFHSA-N 1 3 302.393 2.696 20 0 DFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N(CC)CC ZINC000359788169 428019122 /nfs/dbraw/zinc/01/91/22/428019122.db2.gz DNZKUGUNDDWFKO-SJORKVTESA-N 1 3 309.498 2.584 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C)[C@H]2c2ccccc2)CCN1C ZINC000369851616 428075754 /nfs/dbraw/zinc/07/57/54/428075754.db2.gz KFIOUIATGOGDEN-OWYHZJEWSA-N 1 3 301.478 2.752 20 0 DFADHO COC(=O)CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000377195769 428080467 /nfs/dbraw/zinc/08/04/67/428080467.db2.gz GCUCDGQLWDWHHY-UHFFFAOYSA-N 1 3 316.445 2.538 20 0 DFADHO COC(=O)CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377195769 428080471 /nfs/dbraw/zinc/08/04/71/428080471.db2.gz GCUCDGQLWDWHHY-UHFFFAOYSA-N 1 3 316.445 2.538 20 0 DFADHO CCOCCOCc1cccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000359944981 428087771 /nfs/dbraw/zinc/08/77/71/428087771.db2.gz WJJDVDGCPVTGJO-QFBILLFUSA-N 1 3 320.477 2.670 20 0 DFADHO CCOCCOCc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000359944981 428087778 /nfs/dbraw/zinc/08/77/78/428087778.db2.gz WJJDVDGCPVTGJO-QFBILLFUSA-N 1 3 320.477 2.670 20 0 DFADHO CCN(C)c1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cn1 ZINC000359963146 428096110 /nfs/dbraw/zinc/09/61/10/428096110.db2.gz JHOAYQIXDMEVRZ-UHFFFAOYSA-N 1 3 302.466 2.644 20 0 DFADHO COC1(C[NH2+]Cc2cccc(OCCN(C)C)c2)CCCC1 ZINC000359970188 428098913 /nfs/dbraw/zinc/09/89/13/428098913.db2.gz LDHUUVDANZJPQO-UHFFFAOYSA-N 1 3 306.450 2.676 20 0 DFADHO COC(C)(C)CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000346279712 428106920 /nfs/dbraw/zinc/10/69/20/428106920.db2.gz NJCSUVYLZAXGMY-HZPDHXFCSA-N 1 3 312.498 2.623 20 0 DFADHO Cc1c(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cnn1C ZINC000377338415 428108302 /nfs/dbraw/zinc/10/83/02/428108302.db2.gz XKNZMTRHQVLVOH-ICSRJNTNSA-N 1 3 324.472 2.682 20 0 DFADHO Cc1c(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cnn1C ZINC000377338415 428108305 /nfs/dbraw/zinc/10/83/05/428108305.db2.gz XKNZMTRHQVLVOH-ICSRJNTNSA-N 1 3 324.472 2.682 20 0 DFADHO C[C@@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(C)(C)n1cncn1 ZINC000377394065 428120052 /nfs/dbraw/zinc/12/00/52/428120052.db2.gz SRVCSUKEHKLKLK-WBVHZDCISA-N 1 3 319.497 2.788 20 0 DFADHO C[C@@H](NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(C)(C)n1cncn1 ZINC000377394065 428120056 /nfs/dbraw/zinc/12/00/56/428120056.db2.gz SRVCSUKEHKLKLK-WBVHZDCISA-N 1 3 319.497 2.788 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000360027745 428126453 /nfs/dbraw/zinc/12/64/53/428126453.db2.gz OEDUBXUFULEGOL-WBVHZDCISA-N 1 3 318.461 2.805 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000360027745 428126457 /nfs/dbraw/zinc/12/64/57/428126457.db2.gz OEDUBXUFULEGOL-WBVHZDCISA-N 1 3 318.461 2.805 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)CN(C)C)cc1 ZINC000346202384 428066622 /nfs/dbraw/zinc/06/66/22/428066622.db2.gz UKLFZGYKAKPBQO-OAHLLOKOSA-N 1 3 305.466 2.598 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)CN(C)C)cc1 ZINC000346202384 428066626 /nfs/dbraw/zinc/06/66/26/428066626.db2.gz UKLFZGYKAKPBQO-OAHLLOKOSA-N 1 3 305.466 2.598 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000360040343 428131442 /nfs/dbraw/zinc/13/14/42/428131442.db2.gz UHYJHXGWALZUCE-LSTHTHJFSA-N 1 3 315.505 2.827 20 0 DFADHO CCN(C)c1ccc(CN(CCC[NH3+])CC2CCCC2)cn1 ZINC000352534380 428139535 /nfs/dbraw/zinc/13/95/35/428139535.db2.gz FZAKBJOMJJGNAK-UHFFFAOYSA-N 1 3 304.482 2.879 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000360058617 428139847 /nfs/dbraw/zinc/13/98/47/428139847.db2.gz XWFSMHJNJVNDEX-KRWDZBQOSA-N 1 3 304.478 2.786 20 0 DFADHO COc1cc(CN2CCCC3(CC[NH+](C)CC3)C2)ccc1O ZINC000370151272 428143623 /nfs/dbraw/zinc/14/36/23/428143623.db2.gz ORIIESQSPWEBOM-UHFFFAOYSA-N 1 3 304.434 2.709 20 0 DFADHO c1ccc2c(c1)CC[C@@]1(CC[N@@H+](CCCN3CCCC3)C1)O2 ZINC000377659762 428185831 /nfs/dbraw/zinc/18/58/31/428185831.db2.gz PWUOERYNXPBMBW-IBGZPJMESA-N 1 3 300.446 2.942 20 0 DFADHO c1ccc2c(c1)CC[C@@]1(CC[N@H+](CCCN3CCCC3)C1)O2 ZINC000377659762 428185834 /nfs/dbraw/zinc/18/58/34/428185834.db2.gz PWUOERYNXPBMBW-IBGZPJMESA-N 1 3 300.446 2.942 20 0 DFADHO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)s1 ZINC000377623479 428176772 /nfs/dbraw/zinc/17/67/72/428176772.db2.gz FAXDQIZSYSQLKS-INIZCTEOSA-N 1 3 307.507 2.657 20 0 DFADHO Cc1ccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)s1 ZINC000377623479 428176774 /nfs/dbraw/zinc/17/67/74/428176774.db2.gz FAXDQIZSYSQLKS-INIZCTEOSA-N 1 3 307.507 2.657 20 0 DFADHO CC(C)NC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000360138540 428177355 /nfs/dbraw/zinc/17/73/55/428177355.db2.gz FTNOUPSNVMSOQX-WMLDXEAASA-N 1 3 318.465 2.646 20 0 DFADHO CC(C)NC(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000360138540 428177362 /nfs/dbraw/zinc/17/73/62/428177362.db2.gz FTNOUPSNVMSOQX-WMLDXEAASA-N 1 3 318.465 2.646 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCN(CC(C)C)C2)cn1 ZINC000414097464 428206647 /nfs/dbraw/zinc/20/66/47/428206647.db2.gz JCCQGVWQDSNWIC-AEFFLSMTSA-N 1 3 319.493 2.979 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000414097464 428206651 /nfs/dbraw/zinc/20/66/51/428206651.db2.gz JCCQGVWQDSNWIC-AEFFLSMTSA-N 1 3 319.493 2.979 20 0 DFADHO COc1ccc(C[C@@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000414097464 428206666 /nfs/dbraw/zinc/20/66/66/428206666.db2.gz JCCQGVWQDSNWIC-AEFFLSMTSA-N 1 3 319.493 2.979 20 0 DFADHO CC[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@@H]1C[C@@H]1C ZINC000414111705 428208221 /nfs/dbraw/zinc/20/82/21/428208221.db2.gz MSQUNYKGYVWFOT-KSZLIROESA-N 1 3 307.526 2.961 20 0 DFADHO CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)[C@@H]1C[C@H]1C ZINC000414105359 428209255 /nfs/dbraw/zinc/20/92/55/428209255.db2.gz GPYGQUFAKRPGJP-FDPIWHGQSA-N 1 3 302.462 2.777 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)cn1 ZINC000414124919 428210428 /nfs/dbraw/zinc/21/04/28/428210428.db2.gz CKLYCCNTVAMJQM-CVEARBPZSA-N 1 3 305.466 2.875 20 0 DFADHO COc1ccc(C[C@@H](C)NCC[C@H](C)[NH+]2CCCCC2)cn1 ZINC000414124919 428210431 /nfs/dbraw/zinc/21/04/31/428210431.db2.gz CKLYCCNTVAMJQM-CVEARBPZSA-N 1 3 305.466 2.875 20 0 DFADHO Cc1cc2ncc([C@H](C)NCC[C@H]3CCC[N@H+](C)C3)c(C)n2n1 ZINC000414169644 428222295 /nfs/dbraw/zinc/22/22/95/428222295.db2.gz BFZUEDBUUUUVJF-GOEBONIOSA-N 1 3 315.465 2.729 20 0 DFADHO Cc1cc2ncc([C@H](C)NCC[C@H]3CCC[N@@H+](C)C3)c(C)n2n1 ZINC000414169644 428222302 /nfs/dbraw/zinc/22/23/02/428222302.db2.gz BFZUEDBUUUUVJF-GOEBONIOSA-N 1 3 315.465 2.729 20 0 DFADHO CCOC1CC(O)(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000370526111 428231416 /nfs/dbraw/zinc/23/14/16/428231416.db2.gz IMUQCFNYOQVIAW-ZTRSQXPZSA-N 1 3 324.509 2.549 20 0 DFADHO CCOC1CC(O)(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000370526111 428231423 /nfs/dbraw/zinc/23/14/23/428231423.db2.gz IMUQCFNYOQVIAW-ZTRSQXPZSA-N 1 3 324.509 2.549 20 0 DFADHO CCc1cccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000346609900 428237501 /nfs/dbraw/zinc/23/75/01/428237501.db2.gz KKGDZSUUMPDXDN-QGZVFWFLSA-N 1 3 315.505 2.849 20 0 DFADHO CCc1cccc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000346609900 428237505 /nfs/dbraw/zinc/23/75/05/428237505.db2.gz KKGDZSUUMPDXDN-QGZVFWFLSA-N 1 3 315.505 2.849 20 0 DFADHO CCc1cccc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000346609900 428237508 /nfs/dbraw/zinc/23/75/08/428237508.db2.gz KKGDZSUUMPDXDN-QGZVFWFLSA-N 1 3 315.505 2.849 20 0 DFADHO C[C@H]1C[C@H](NCCc2cnccn2)CC[N@@H+]1Cc1ccccc1 ZINC000341875336 428239339 /nfs/dbraw/zinc/23/93/39/428239339.db2.gz LFYKZRFTVJHXFG-FUHWJXTLSA-N 1 3 310.445 2.662 20 0 DFADHO C[C@H]1C[C@H](NCCc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC000341875336 428239346 /nfs/dbraw/zinc/23/93/46/428239346.db2.gz LFYKZRFTVJHXFG-FUHWJXTLSA-N 1 3 310.445 2.662 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cn1 ZINC000414074787 428198574 /nfs/dbraw/zinc/19/85/74/428198574.db2.gz OOJSFZLLLUAAJN-CVEARBPZSA-N 1 3 305.466 2.733 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC000414074787 428198579 /nfs/dbraw/zinc/19/85/79/428198579.db2.gz OOJSFZLLLUAAJN-CVEARBPZSA-N 1 3 305.466 2.733 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccc(OCCN(C)C)cc1 ZINC000414342561 428263648 /nfs/dbraw/zinc/26/36/48/428263648.db2.gz PZLHYAKWEQOLIJ-XYJFISCASA-N 1 3 320.477 2.829 20 0 DFADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1cccc(OCc2ccccn2)c1 ZINC000346693181 428277272 /nfs/dbraw/zinc/27/72/72/428277272.db2.gz LFHJBKKWOIZOLX-DOTOQJQBSA-N 1 3 311.429 2.830 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000352855614 428280753 /nfs/dbraw/zinc/28/07/53/428280753.db2.gz TVYBCNJZKCPXFF-IEBWSBKVSA-N 1 3 307.526 2.986 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCC1CCCC1 ZINC000346617458 428243193 /nfs/dbraw/zinc/24/31/93/428243193.db2.gz HFIJRYSLYFVUOM-GOSISDBHSA-N 1 3 323.525 2.831 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCC1CCCC1 ZINC000346617458 428243201 /nfs/dbraw/zinc/24/32/01/428243201.db2.gz HFIJRYSLYFVUOM-GOSISDBHSA-N 1 3 323.525 2.831 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1CCCCC1 ZINC000346621460 428244164 /nfs/dbraw/zinc/24/41/64/428244164.db2.gz LZCWDUAFBXTXGS-GOSISDBHSA-N 1 3 323.525 2.831 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1CCCCC1 ZINC000346621460 428244170 /nfs/dbraw/zinc/24/41/70/428244170.db2.gz LZCWDUAFBXTXGS-GOSISDBHSA-N 1 3 323.525 2.831 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000370627519 428256820 /nfs/dbraw/zinc/25/68/20/428256820.db2.gz CDKWBHNNKGYBNK-LNCBFAARSA-N 1 3 323.431 2.862 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000370627519 428256827 /nfs/dbraw/zinc/25/68/27/428256827.db2.gz CDKWBHNNKGYBNK-LNCBFAARSA-N 1 3 323.431 2.862 20 0 DFADHO Cc1ccc(CNCC2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000414315604 428258336 /nfs/dbraw/zinc/25/83/36/428258336.db2.gz GPYXMHOJGQZUTE-UHFFFAOYSA-N 1 3 316.474 2.848 20 0 DFADHO COc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370635748 428259764 /nfs/dbraw/zinc/25/97/64/428259764.db2.gz PTKDVXHJHUBLRX-RDJZCZTQSA-N 1 3 317.477 2.514 20 0 DFADHO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370637197 428260281 /nfs/dbraw/zinc/26/02/81/428260281.db2.gz UDTOJMNIGLIIJD-AEFFLSMTSA-N 1 3 301.478 2.814 20 0 DFADHO CCC(CC)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414330740 428261357 /nfs/dbraw/zinc/26/13/57/428261357.db2.gz SINGZUAMIGSZPD-UHFFFAOYSA-N 1 3 317.477 2.662 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H](C)CCOC)CC1 ZINC000414489891 428318701 /nfs/dbraw/zinc/31/87/01/428318701.db2.gz ZYDQDHOGYBOMFB-KRWDZBQOSA-N 1 3 319.493 2.591 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000414502814 428321224 /nfs/dbraw/zinc/32/12/24/428321224.db2.gz VDMQOICCOFIFIF-WBVHZDCISA-N 1 3 319.518 2.812 20 0 DFADHO CCN1CC[C@@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@H](C)C1 ZINC000378168761 428325609 /nfs/dbraw/zinc/32/56/09/428325609.db2.gz MGUJWKYBKFBHJX-CRAIPNDOSA-N 1 3 316.493 2.679 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]21 ZINC000346823942 428330914 /nfs/dbraw/zinc/33/09/14/428330914.db2.gz KEERQLXTSXHVIZ-RRQGHBQHSA-N 1 3 314.408 2.775 20 0 DFADHO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC(C)(C)N ZINC000346830105 428333934 /nfs/dbraw/zinc/33/39/34/428333934.db2.gz JLOUXUHYMHYZMF-UHFFFAOYSA-N 1 3 304.413 2.818 20 0 DFADHO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC(C)(C)N ZINC000346830105 428333940 /nfs/dbraw/zinc/33/39/40/428333940.db2.gz JLOUXUHYMHYZMF-UHFFFAOYSA-N 1 3 304.413 2.818 20 0 DFADHO CN(CCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCC[NH2+]C1 ZINC000346829512 428334579 /nfs/dbraw/zinc/33/45/79/428334579.db2.gz VKUASZRDRNFVLH-INIZCTEOSA-N 1 3 312.461 2.941 20 0 DFADHO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCCNC1 ZINC000346829512 428334586 /nfs/dbraw/zinc/33/45/86/428334586.db2.gz VKUASZRDRNFVLH-INIZCTEOSA-N 1 3 312.461 2.941 20 0 DFADHO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCCNC1 ZINC000346829512 428334589 /nfs/dbraw/zinc/33/45/89/428334589.db2.gz VKUASZRDRNFVLH-INIZCTEOSA-N 1 3 312.461 2.941 20 0 DFADHO C[C@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)CN1CCCC1 ZINC000356840456 428334618 /nfs/dbraw/zinc/33/46/18/428334618.db2.gz FMDVQYFCMWIOSS-CQSZACIVSA-N 1 3 321.431 2.725 20 0 DFADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1CCCOC1 ZINC000356874474 428342126 /nfs/dbraw/zinc/34/21/26/428342126.db2.gz QHHBAAFCGGOJLH-RDJZCZTQSA-N 1 3 303.450 2.703 20 0 DFADHO CCOc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346841266 428342327 /nfs/dbraw/zinc/34/23/27/428342327.db2.gz GYXDZZWTTKLMLP-ARFHVFGLSA-N 1 3 304.434 2.653 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000356884917 428347099 /nfs/dbraw/zinc/34/70/99/428347099.db2.gz PSGKREULUCALMY-CABCVRRESA-N 1 3 300.406 2.654 20 0 DFADHO CC[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000356884919 428348624 /nfs/dbraw/zinc/34/86/24/428348624.db2.gz PSGKREULUCALMY-HUUCEWRRSA-N 1 3 300.406 2.654 20 0 DFADHO CC(C)c1cccc(NC(=[NH2+])NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000360572436 428353869 /nfs/dbraw/zinc/35/38/69/428353869.db2.gz KHHSRUXFIYYZIC-IRXDYDNUSA-N 1 3 316.449 2.609 20 0 DFADHO C[C@@H](c1ccc(F)cc1)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371426854 428388575 /nfs/dbraw/zinc/38/85/75/428388575.db2.gz ZHPDZFIZOWFFPF-KXBFYZLASA-N 1 3 319.468 2.987 20 0 DFADHO C[C@@H](c1ccc(F)cc1)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371426854 428388581 /nfs/dbraw/zinc/38/85/81/428388581.db2.gz ZHPDZFIZOWFFPF-KXBFYZLASA-N 1 3 319.468 2.987 20 0 DFADHO Cc1ncsc1CN(C)C[C@@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414742937 428390963 /nfs/dbraw/zinc/39/09/63/428390963.db2.gz MRPXEYLSFYUCSW-HNNXBMFYSA-N 1 3 324.538 2.593 20 0 DFADHO COc1ccc(C[N@H+](C[C@@H](N)CC(C)C)[C@H](CO)C(C)C)cc1 ZINC000414757109 428395168 /nfs/dbraw/zinc/39/51/68/428395168.db2.gz KVTHNBKJUVMUAE-PKOBYXMFSA-N 1 3 322.493 2.888 20 0 DFADHO COc1ccc(C[N@@H+](C[C@@H](N)CC(C)C)[C@H](CO)C(C)C)cc1 ZINC000414757109 428395174 /nfs/dbraw/zinc/39/51/74/428395174.db2.gz KVTHNBKJUVMUAE-PKOBYXMFSA-N 1 3 322.493 2.888 20 0 DFADHO CCc1ccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000378437706 428395627 /nfs/dbraw/zinc/39/56/27/428395627.db2.gz XYYYKCJRSBSJKM-FQEVSTJZSA-N 1 3 315.505 2.849 20 0 DFADHO CCc1ccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000378437706 428395632 /nfs/dbraw/zinc/39/56/32/428395632.db2.gz XYYYKCJRSBSJKM-FQEVSTJZSA-N 1 3 315.505 2.849 20 0 DFADHO C[C@H](c1ccccc1)N(C)C(=O)CN(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414764713 428398016 /nfs/dbraw/zinc/39/80/16/428398016.db2.gz OUFZBHXEKBYLMW-BRWVUGGUSA-N 1 3 317.477 2.526 20 0 DFADHO [NH3+]C[C@@H]1CN(C/C=C\c2ccc(F)cc2)CC12CCOCC2 ZINC000414773729 428401076 /nfs/dbraw/zinc/40/10/76/428401076.db2.gz DULMABGVLVTDJC-STOZHHMFSA-N 1 3 304.409 2.526 20 0 DFADHO c1ccc(OCC2CC2)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414774576 428401141 /nfs/dbraw/zinc/40/11/41/428401141.db2.gz YKWANDCTSSRAOB-CALCHBBNSA-N 1 3 300.446 2.907 20 0 DFADHO [NH3+]C[C@H]1CN(CCSCc2ccccc2)CC12CCOCC2 ZINC000414790481 428414283 /nfs/dbraw/zinc/41/42/83/428414283.db2.gz ZXEVQIMCCXHNCX-KRWDZBQOSA-N 1 3 320.502 2.607 20 0 DFADHO NC[C@H]1C[N@H+](CCSCc2ccccc2)CC12CCOCC2 ZINC000414790481 428414288 /nfs/dbraw/zinc/41/42/88/428414288.db2.gz ZXEVQIMCCXHNCX-KRWDZBQOSA-N 1 3 320.502 2.607 20 0 DFADHO CCN(CC)c1ncc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414778563 428403659 /nfs/dbraw/zinc/40/36/59/428403659.db2.gz JCMGGNQXVUGYGD-CABCVRRESA-N 1 3 322.522 2.811 20 0 DFADHO NC[C@H]1C[N@@H+](CCSCc2ccccc2)CC12CCOCC2 ZINC000414790481 428414293 /nfs/dbraw/zinc/41/42/93/428414293.db2.gz ZXEVQIMCCXHNCX-KRWDZBQOSA-N 1 3 320.502 2.607 20 0 DFADHO C[C@@H](CC[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000414775724 428404974 /nfs/dbraw/zinc/40/49/74/428404974.db2.gz GNGDJFPAYZTOCO-FUHWJXTLSA-N 1 3 302.462 2.868 20 0 DFADHO C[C@@H](CC[N@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000414775724 428404977 /nfs/dbraw/zinc/40/49/77/428404977.db2.gz GNGDJFPAYZTOCO-FUHWJXTLSA-N 1 3 302.462 2.868 20 0 DFADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC1CC[NH2+]CC1 ZINC000414784883 428407327 /nfs/dbraw/zinc/40/73/27/428407327.db2.gz UDWUSLJKQLHHGS-CQSZACIVSA-N 1 3 303.450 2.869 20 0 DFADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CCNCC1 ZINC000414784883 428407335 /nfs/dbraw/zinc/40/73/35/428407335.db2.gz UDWUSLJKQLHHGS-CQSZACIVSA-N 1 3 303.450 2.869 20 0 DFADHO C[C@@H](CCc1ccccc1)C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414784110 428408298 /nfs/dbraw/zinc/40/82/98/428408298.db2.gz QUBZYKVLJLFSPL-PKOBYXMFSA-N 1 3 316.489 2.943 20 0 DFADHO C[C@@H](CCc1ccccc1)C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414784110 428408302 /nfs/dbraw/zinc/40/83/02/428408302.db2.gz QUBZYKVLJLFSPL-PKOBYXMFSA-N 1 3 316.489 2.943 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(OCc2ccncc2)cc1 ZINC000414788669 428409587 /nfs/dbraw/zinc/40/95/87/428409587.db2.gz DSOUVMDYBUXRHZ-MJGOQNOKSA-N 1 3 311.429 2.878 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000414788816 428410283 /nfs/dbraw/zinc/41/02/83/428410283.db2.gz NJQBHKZALDKAND-MNSDHWDNSA-N 1 3 304.409 2.667 20 0 DFADHO c1cn(-c2ccccc2)nc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787741 428410706 /nfs/dbraw/zinc/41/07/06/428410706.db2.gz VXWFQVAMNWDGGE-IRXDYDNUSA-N 1 3 310.445 2.694 20 0 DFADHO CC[C@@H](C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000414786292 428411184 /nfs/dbraw/zinc/41/11/84/428411184.db2.gz UMRZBGBLBPWKOV-WMZOPIPTSA-N 1 3 302.462 2.868 20 0 DFADHO CC[C@@H](C[N@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000414786292 428411190 /nfs/dbraw/zinc/41/11/90/428411190.db2.gz UMRZBGBLBPWKOV-WMZOPIPTSA-N 1 3 302.462 2.868 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000347026995 428412468 /nfs/dbraw/zinc/41/24/68/428412468.db2.gz QNYPSZGVNZKXSZ-XUWVNRHRSA-N 1 3 311.514 2.636 20 0 DFADHO COc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000414790099 428412768 /nfs/dbraw/zinc/41/27/68/428412768.db2.gz ZLEDZNBCYRDCIR-GJZGRUSLSA-N 1 3 304.434 2.525 20 0 DFADHO CCCN1CCC([NH2+][C@H](CC(=O)N(C)C)c2ccccc2)CC1 ZINC000360582832 428357189 /nfs/dbraw/zinc/35/71/89/428357189.db2.gz QWVRZOHCDICOPF-GOSISDBHSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@H]1C[C@@H](CN(C)Cc2ccc(Br)o2)CC[NH2+]1 ZINC000414683232 428373053 /nfs/dbraw/zinc/37/30/53/428373053.db2.gz ZRFFZFLHJUJRAQ-QWRGUYRKSA-N 1 3 301.228 2.862 20 0 DFADHO Cc1cccc(C)c1NC(=O)CN(C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414680125 428373972 /nfs/dbraw/zinc/37/39/72/428373972.db2.gz SQPZRDHHCJXAAI-HOTGVXAUSA-N 1 3 303.450 2.562 20 0 DFADHO C[C@@H]1C[C@@H](CN2CCCC[C@H]2c2nnc3n2CCCC3)CC[NH2+]1 ZINC000414690483 428376341 /nfs/dbraw/zinc/37/63/41/428376341.db2.gz IDXSDSILHSAVJW-PMPSAXMXSA-N 1 3 317.481 2.530 20 0 DFADHO CCN(CC(=O)Nc1c(C)cccc1C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414713063 428383838 /nfs/dbraw/zinc/38/38/38/428383838.db2.gz UVGUAIDDQQVXAU-IRXDYDNUSA-N 1 3 317.477 2.952 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000414853012 428433780 /nfs/dbraw/zinc/43/37/80/428433780.db2.gz KKQGFXNBNAMRBZ-YESZJQIVSA-N 1 3 317.477 2.998 20 0 DFADHO C[N@H+](CCCN1CCCC1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000347076173 428433727 /nfs/dbraw/zinc/43/37/27/428433727.db2.gz BGDKVUUWGJAMDJ-KRWDZBQOSA-N 1 3 310.869 2.661 20 0 DFADHO C[N@@H+](CCCN1CCCC1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000347076173 428433731 /nfs/dbraw/zinc/43/37/31/428433731.db2.gz BGDKVUUWGJAMDJ-KRWDZBQOSA-N 1 3 310.869 2.661 20 0 DFADHO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC1(N)CCCCCC1 ZINC000414858978 428436838 /nfs/dbraw/zinc/43/68/38/428436838.db2.gz LSSUMYSEEIUXEA-INIZCTEOSA-N 1 3 309.498 2.809 20 0 DFADHO Cn1cc(C[NH2+]CC2(N)CCC2)c(-c2ccccc2Cl)n1 ZINC000414879213 428440382 /nfs/dbraw/zinc/44/03/82/428440382.db2.gz IDRGATYTWBIRDN-UHFFFAOYSA-N 1 3 304.825 2.712 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414951858 428470227 /nfs/dbraw/zinc/47/02/27/428470227.db2.gz QFCQDHIMUPWEPF-LALPHHSUSA-N 1 3 309.841 2.787 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414951858 428470233 /nfs/dbraw/zinc/47/02/33/428470233.db2.gz QFCQDHIMUPWEPF-LALPHHSUSA-N 1 3 309.841 2.787 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414902354 428451733 /nfs/dbraw/zinc/45/17/33/428451733.db2.gz HFHPHXAURHFPES-QWHCGFSZSA-N 1 3 309.841 2.565 20 0 DFADHO COc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1OC(F)F ZINC000414924314 428459171 /nfs/dbraw/zinc/45/91/71/428459171.db2.gz JTDBRDKYPCLGPY-RYUDHWBXSA-N 1 3 300.349 2.656 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000414924246 428461201 /nfs/dbraw/zinc/46/12/01/428461201.db2.gz IMPLCBNKHAHOTI-IMJJTQAJSA-N 1 3 306.450 2.613 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)N[C@H]1CCC[NH2+][C@@H]1C ZINC000414936671 428462848 /nfs/dbraw/zinc/46/28/48/428462848.db2.gz DBVFCUBNAPPEBF-BMFZPTHFSA-N 1 3 306.450 2.755 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000388063070 428465194 /nfs/dbraw/zinc/46/51/94/428465194.db2.gz MLVKLFOINZDWMO-DOTOQJQBSA-N 1 3 303.450 2.842 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414947970 428465499 /nfs/dbraw/zinc/46/54/99/428465499.db2.gz LPLPTYHYFVJCCZ-BMFZPTHFSA-N 1 3 306.450 2.755 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414947970 428465506 /nfs/dbraw/zinc/46/55/06/428465506.db2.gz LPLPTYHYFVJCCZ-BMFZPTHFSA-N 1 3 306.450 2.755 20 0 DFADHO C[C@H]1CNCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414946120 428466400 /nfs/dbraw/zinc/46/64/00/428466400.db2.gz SPZUXTLLFBJBGR-KBXCAEBGSA-N 1 3 321.896 2.892 20 0 DFADHO C[C@H]1CNCC[C@H]1[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414948999 428467778 /nfs/dbraw/zinc/46/77/78/428467778.db2.gz ZGMXFEWYBXZTQL-KBXCAEBGSA-N 1 3 321.896 2.892 20 0 DFADHO COc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc2c1OCO2 ZINC000414802478 428415218 /nfs/dbraw/zinc/41/52/18/428415218.db2.gz BRFADLVMZTZEAB-GFCCVEGCSA-N 1 3 314.385 2.733 20 0 DFADHO [NH3+]C[C@@H](NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000414797230 428416587 /nfs/dbraw/zinc/41/65/87/428416587.db2.gz IKKPYGKRTGXRKT-QGZVFWFLSA-N 1 3 307.869 2.631 20 0 DFADHO FC(F)(F)CN1CCC([NH2+]CCNC2CCCCCC2)CC1 ZINC000414801476 428417008 /nfs/dbraw/zinc/41/70/08/428417008.db2.gz HCAIARSVYNHLCI-UHFFFAOYSA-N 1 3 321.431 2.915 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000414804822 428419324 /nfs/dbraw/zinc/41/93/24/428419324.db2.gz PBXNEZZITCLYQO-BZUAXINKSA-N 1 3 306.450 2.742 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414810986 428419758 /nfs/dbraw/zinc/41/97/58/428419758.db2.gz VULNFTWGWBNWPI-YQQAZPJKSA-N 1 3 303.450 2.819 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414810986 428419764 /nfs/dbraw/zinc/41/97/64/428419764.db2.gz VULNFTWGWBNWPI-YQQAZPJKSA-N 1 3 303.450 2.819 20 0 DFADHO C[NH2+]CC1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000347041405 428419897 /nfs/dbraw/zinc/41/98/97/428419897.db2.gz KUDGEEXBWCYYPW-UHFFFAOYSA-N 1 3 312.417 2.700 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cnc(-c2ccccn2)s1 ZINC000414812164 428420074 /nfs/dbraw/zinc/42/00/74/428420074.db2.gz WZGNFQHRVANNKO-GXTWGEPZSA-N 1 3 302.447 2.812 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000360863041 428469776 /nfs/dbraw/zinc/46/97/76/428469776.db2.gz YQIQNLJNNWRWAO-RLLQIKCJSA-N 1 3 315.505 2.971 20 0 DFADHO Cc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1-n1cncn1 ZINC000414813234 428420967 /nfs/dbraw/zinc/42/09/67/428420967.db2.gz SXAILQPDAMWPCD-HNNXBMFYSA-N 1 3 321.428 2.885 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)NC[C@H]1CCC[NH2+]C1 ZINC000414826898 428424806 /nfs/dbraw/zinc/42/48/06/428424806.db2.gz JXYREXZNOCAZNN-GJZGRUSLSA-N 1 3 303.450 2.555 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000414826898 428424814 /nfs/dbraw/zinc/42/48/14/428424814.db2.gz JXYREXZNOCAZNN-GJZGRUSLSA-N 1 3 303.450 2.555 20 0 DFADHO C[C@@H]([NH3+])CCNCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414822603 428424979 /nfs/dbraw/zinc/42/49/79/428424979.db2.gz NEWYSZFKTJCMBE-CQSZACIVSA-N 1 3 313.449 2.887 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1(N)CCCCC1 ZINC000414837892 428429861 /nfs/dbraw/zinc/42/98/61/428429861.db2.gz HHNLLOBCATXBNO-WMZOPIPTSA-N 1 3 301.478 2.758 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCC1([NH3+])CCCCC1 ZINC000414837892 428429871 /nfs/dbraw/zinc/42/98/71/428429871.db2.gz HHNLLOBCATXBNO-WMZOPIPTSA-N 1 3 301.478 2.758 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414838518 428430650 /nfs/dbraw/zinc/43/06/50/428430650.db2.gz WYVCYCTXAYOTQN-UONOGXRCSA-N 1 3 323.868 2.955 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCNC2)cc1Cl ZINC000414838518 428430654 /nfs/dbraw/zinc/43/06/54/428430654.db2.gz WYVCYCTXAYOTQN-UONOGXRCSA-N 1 3 323.868 2.955 20 0 DFADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000392201804 428480316 /nfs/dbraw/zinc/48/03/16/428480316.db2.gz JOGUESHMPXDKFH-JKSUJKDBSA-N 1 3 323.481 2.531 20 0 DFADHO CC[C@@H]([NH3+])CN[C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414996246 428482689 /nfs/dbraw/zinc/48/26/89/428482689.db2.gz XGVKHYUUHJILPG-GXSJLCMTSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@H](Cc1ccc(Br)c(F)c1)N[C@H](C)[C@H](C)[NH3+] ZINC000415004827 428484925 /nfs/dbraw/zinc/48/49/25/428484925.db2.gz AGLORDCIDWWMDE-KXUCPTDWSA-N 1 3 303.219 2.845 20 0 DFADHO CC[NH+](CC)CCOC1CCN(Cc2ncccc2C)CC1 ZINC000357329379 428487656 /nfs/dbraw/zinc/48/76/56/428487656.db2.gz DOMCFBYBUVKGJH-UHFFFAOYSA-N 1 3 305.466 2.713 20 0 DFADHO CC(C)C[C@H](N[C@@H](C)c1cccc(F)c1)C(=O)NCC[NH+](C)C ZINC000347193882 428489980 /nfs/dbraw/zinc/48/99/80/428489980.db2.gz JKUIMPXYDLZRNW-YOEHRIQHSA-N 1 3 323.456 2.569 20 0 DFADHO Cc1nc(COc2ccc(C[NH2+][C@H](C)[C@@H](C)N)cc2)cs1 ZINC000415019157 428490862 /nfs/dbraw/zinc/49/08/62/428490862.db2.gz ROKAOKXDJHXKAR-VXGBXAGGSA-N 1 3 305.447 2.856 20 0 DFADHO CC[C@H]([NH2+]C[C@H](C)CN1CCCCC1)C1(C(=O)OC)CCC1 ZINC000353339172 428491843 /nfs/dbraw/zinc/49/18/43/428491843.db2.gz VRFCUIQNHUBARL-HOTGVXAUSA-N 1 3 310.482 2.820 20 0 DFADHO c1ccc(CC(Cc2ccccc2)[NH2+]C[C@@H]2CNCCCO2)cc1 ZINC000415031368 428493013 /nfs/dbraw/zinc/49/30/13/428493013.db2.gz DWCNTLLLSKVVPD-NRFANRHFSA-N 1 3 324.468 2.809 20 0 DFADHO c1ccc(CC(Cc2ccccc2)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415031368 428493016 /nfs/dbraw/zinc/49/30/16/428493016.db2.gz DWCNTLLLSKVVPD-NRFANRHFSA-N 1 3 324.468 2.809 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000347205574 428494249 /nfs/dbraw/zinc/49/42/49/428494249.db2.gz LUBNBRJVSOCDFJ-UHFFFAOYSA-N 1 3 312.461 2.753 20 0 DFADHO c1cn(-c2ccc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)cn1 ZINC000415035641 428495291 /nfs/dbraw/zinc/49/52/91/428495291.db2.gz DXYSCHHNODEASE-MJGOQNOKSA-N 1 3 310.445 2.836 20 0 DFADHO CC(=O)Nc1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415036697 428495824 /nfs/dbraw/zinc/49/58/24/428495824.db2.gz GCNRHWRLTDZIAS-FUHWJXTLSA-N 1 3 301.434 2.609 20 0 DFADHO c1cn(-c2ccc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)cn1 ZINC000415035640 428496007 /nfs/dbraw/zinc/49/60/07/428496007.db2.gz DXYSCHHNODEASE-IEBWSBKVSA-N 1 3 310.445 2.836 20 0 DFADHO CC(C)C[C@H]([NH2+][C@H](C)C1CCCCC1)C(=O)NCCN(C)C ZINC000347231842 428503825 /nfs/dbraw/zinc/50/38/25/428503825.db2.gz PMLGJLAJXWRUOF-WBVHZDCISA-N 1 3 311.514 2.637 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1C[C@H]1C ZINC000397555553 428511513 /nfs/dbraw/zinc/51/15/13/428511513.db2.gz LGVMNTSVDNHYNC-SOLBZPMBSA-N 1 3 302.462 2.648 20 0 DFADHO COCc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1F ZINC000353386189 428513877 /nfs/dbraw/zinc/51/38/77/428513877.db2.gz LPVFAOHKCFETMI-KBAYOESNSA-N 1 3 306.425 2.935 20 0 DFADHO COCc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1F ZINC000353386189 428513884 /nfs/dbraw/zinc/51/38/84/428513884.db2.gz LPVFAOHKCFETMI-KBAYOESNSA-N 1 3 306.425 2.935 20 0 DFADHO COCc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)ccc1F ZINC000353386189 428513893 /nfs/dbraw/zinc/51/38/93/428513893.db2.gz LPVFAOHKCFETMI-KBAYOESNSA-N 1 3 306.425 2.935 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccccc2)C(C)C)CC1 ZINC000357394190 428515193 /nfs/dbraw/zinc/51/51/93/428515193.db2.gz ZKBYCOSZYOOLGT-LJQANCHMSA-N 1 3 317.477 2.574 20 0 DFADHO COc1ccc(C(C)(C)CNC[C@@H]([NH3+])CC(C)C)cc1OC ZINC000415085215 428516710 /nfs/dbraw/zinc/51/67/10/428516710.db2.gz SCIPZQRGKUAPQN-HNNXBMFYSA-N 1 3 308.466 2.944 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000415094669 428518771 /nfs/dbraw/zinc/51/87/71/428518771.db2.gz FJNVYOQYFFRUDL-BHIYHBOVSA-N 1 3 304.478 2.799 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H]2CCC[C@H]21 ZINC000353402460 428522503 /nfs/dbraw/zinc/52/25/03/428522503.db2.gz JACXNCVHVAXUKE-SLFFLAALSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)[C@@H]2CCC[C@H]21 ZINC000353402460 428522506 /nfs/dbraw/zinc/52/25/06/428522506.db2.gz JACXNCVHVAXUKE-SLFFLAALSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)[C@@H]2CCC[C@H]21 ZINC000353402460 428522513 /nfs/dbraw/zinc/52/25/13/428522513.db2.gz JACXNCVHVAXUKE-SLFFLAALSA-N 1 3 324.472 2.894 20 0 DFADHO C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358110576 428580524 /nfs/dbraw/zinc/58/05/24/428580524.db2.gz KNCBUJHRUZGCQF-YVSFHVDLSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358110576 428580528 /nfs/dbraw/zinc/58/05/28/428580528.db2.gz KNCBUJHRUZGCQF-YVSFHVDLSA-N 1 3 321.509 2.628 20 0 DFADHO Cc1cc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)ccc1Cl ZINC000415133718 428532542 /nfs/dbraw/zinc/53/25/42/428532542.db2.gz CWRJJYIKPOCYTQ-WBVHZDCISA-N 1 3 320.864 2.849 20 0 DFADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc4ccccc4c3)C2)nn1 ZINC000415128529 428532663 /nfs/dbraw/zinc/53/26/63/428532663.db2.gz OGKXNIZCJNRGRW-IBGZPJMESA-N 1 3 321.428 2.727 20 0 DFADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc4ccccc4c3)C2)nn1 ZINC000415128529 428532666 /nfs/dbraw/zinc/53/26/66/428532666.db2.gz OGKXNIZCJNRGRW-IBGZPJMESA-N 1 3 321.428 2.727 20 0 DFADHO CC(C)[C@H](CN(C)Cc1ccccc1)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400454637 428545663 /nfs/dbraw/zinc/54/56/63/428545663.db2.gz RZRALHZIDPUAQX-QRQLOZEOSA-N 1 3 303.494 2.873 20 0 DFADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000357774835 428562490 /nfs/dbraw/zinc/56/24/90/428562490.db2.gz ZNGLYXQOMDMWHX-BRWVUGGUSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@H+]1CCCC[C@H]1C ZINC000357774835 428562494 /nfs/dbraw/zinc/56/24/94/428562494.db2.gz ZNGLYXQOMDMWHX-BRWVUGGUSA-N 1 3 309.498 2.630 20 0 DFADHO CC(CN(C(C)C)[C@@H]1CCOC1)C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000361409489 428565031 /nfs/dbraw/zinc/56/50/31/428565031.db2.gz WDTRFMAUCTVLCF-QZTJIDSGSA-N 1 3 312.498 2.621 20 0 DFADHO CC(CN(C(C)C)[C@@H]1CCOC1)C[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000361409489 428565037 /nfs/dbraw/zinc/56/50/37/428565037.db2.gz WDTRFMAUCTVLCF-QZTJIDSGSA-N 1 3 312.498 2.621 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC1CCN(Cc2ccncc2)CC1 ZINC000353501409 428567005 /nfs/dbraw/zinc/56/70/05/428567005.db2.gz ZARGMXVMXJCLLK-KRWDZBQOSA-N 1 3 318.509 2.756 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC1CCN(Cc2ccncc2)CC1 ZINC000353501409 428567009 /nfs/dbraw/zinc/56/70/09/428567009.db2.gz ZARGMXVMXJCLLK-KRWDZBQOSA-N 1 3 318.509 2.756 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccsc1C ZINC000353501459 428568613 /nfs/dbraw/zinc/56/86/13/428568613.db2.gz IPBVBBYQIUPSBV-QGZVFWFLSA-N 1 3 309.523 2.904 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccsc1C ZINC000353501459 428568619 /nfs/dbraw/zinc/56/86/19/428568619.db2.gz IPBVBBYQIUPSBV-QGZVFWFLSA-N 1 3 309.523 2.904 20 0 DFADHO OC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CC1 ZINC000353509011 428570704 /nfs/dbraw/zinc/57/07/04/428570704.db2.gz IICYVWGMVHHIJI-VNTMZGSJSA-N 1 3 314.473 2.505 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2cccc(-n3ccnc3)c2)[C@@H]2CCC[C@@H]21 ZINC000353521581 428575082 /nfs/dbraw/zinc/57/50/82/428575082.db2.gz QFJBQZPJWJNYTJ-FHWLQOOXSA-N 1 3 310.445 2.835 20 0 DFADHO C[N@H+]1CC[C@H](NCc2cccc(-n3ccnc3)c2)[C@@H]2CCC[C@@H]21 ZINC000353521581 428575086 /nfs/dbraw/zinc/57/50/86/428575086.db2.gz QFJBQZPJWJNYTJ-FHWLQOOXSA-N 1 3 310.445 2.835 20 0 DFADHO Cc1sccc1CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000353520638 428575690 /nfs/dbraw/zinc/57/56/90/428575690.db2.gz OEAIKHCQRRBTDV-CQSZACIVSA-N 1 3 307.507 2.657 20 0 DFADHO Cc1sccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000353520638 428575694 /nfs/dbraw/zinc/57/56/94/428575694.db2.gz OEAIKHCQRRBTDV-CQSZACIVSA-N 1 3 307.507 2.657 20 0 DFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000361838330 428598971 /nfs/dbraw/zinc/59/89/71/428598971.db2.gz SIBDEWJIUHUHBU-NCOADZHNSA-N 1 3 309.498 2.628 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccccc1CCN(C)C ZINC000415569869 428599423 /nfs/dbraw/zinc/59/94/23/428599423.db2.gz LLHQKVSWAVNDSO-YOEHRIQHSA-N 1 3 318.465 2.524 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000361973953 428608391 /nfs/dbraw/zinc/60/83/91/428608391.db2.gz ZSPDAIPPYUHSOR-DNVCBOLYSA-N 1 3 305.510 2.856 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344038033 428615709 /nfs/dbraw/zinc/61/57/09/428615709.db2.gz YYIFGDNIOGNVIE-OAHLLOKOSA-N 1 3 323.481 2.727 20 0 DFADHO c1cc(CCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000373603311 428617396 /nfs/dbraw/zinc/61/73/96/428617396.db2.gz IUVMYYYWWNXFRJ-QZTJIDSGSA-N 1 3 300.446 2.771 20 0 DFADHO c1cc(CCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000373603311 428617401 /nfs/dbraw/zinc/61/74/01/428617401.db2.gz IUVMYYYWWNXFRJ-QZTJIDSGSA-N 1 3 300.446 2.771 20 0 DFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415900564 428619235 /nfs/dbraw/zinc/61/92/35/428619235.db2.gz UBIBYENDJACOBP-CQSZACIVSA-N 1 3 318.465 2.574 20 0 DFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415900564 428619237 /nfs/dbraw/zinc/61/92/37/428619237.db2.gz UBIBYENDJACOBP-CQSZACIVSA-N 1 3 318.465 2.574 20 0 DFADHO CSC1(CN[C@H](C)c2cnn(C(C)C)c2)CC[NH+](C)CC1 ZINC000353610502 428621368 /nfs/dbraw/zinc/62/13/68/428621368.db2.gz NDSPPNLTKRJWAC-CQSZACIVSA-N 1 3 310.511 2.942 20 0 DFADHO CSC1(C[NH2+][C@H](C)c2cnn(C(C)C)c2)CCN(C)CC1 ZINC000353610502 428621372 /nfs/dbraw/zinc/62/13/72/428621372.db2.gz NDSPPNLTKRJWAC-CQSZACIVSA-N 1 3 310.511 2.942 20 0 DFADHO CCc1cccc(F)c1CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000353615798 428623581 /nfs/dbraw/zinc/62/35/81/428623581.db2.gz LWLWGANYVXJWPS-HNNXBMFYSA-N 1 3 322.468 2.913 20 0 DFADHO COc1ccc(CN2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cn1 ZINC000362107078 428623720 /nfs/dbraw/zinc/62/37/20/428623720.db2.gz SRGVFSQKTFBCPQ-MRXNPFEDSA-N 1 3 315.461 2.787 20 0 DFADHO COc1ccc(CN2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)cn1 ZINC000362107078 428623723 /nfs/dbraw/zinc/62/37/23/428623723.db2.gz SRGVFSQKTFBCPQ-MRXNPFEDSA-N 1 3 315.461 2.787 20 0 DFADHO CNCc1cccc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000415934270 428631331 /nfs/dbraw/zinc/63/13/31/428631331.db2.gz RHPOKVWPNIWZCI-HNNXBMFYSA-N 1 3 318.465 2.792 20 0 DFADHO Cc1ncc(CN2CC[C@H](Nc3cc[nH+]cc3C)[C@H](C)C2)s1 ZINC000373517499 428595958 /nfs/dbraw/zinc/59/59/58/428595958.db2.gz DALYNJZZLYKKDR-DYVFJYSZSA-N 1 3 316.474 2.899 20 0 DFADHO COC[C@H](Cc1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000360494147 274049604 /nfs/dbraw/zinc/04/96/04/274049604.db2.gz CAVBHLPTEVPQPQ-SFHVURJKSA-N 1 3 302.462 2.851 20 0 DFADHO CC1CC[NH+](CC2CCN(C[C@@H](O)CC(F)(F)F)CC2)CC1 ZINC000373724117 428639436 /nfs/dbraw/zinc/63/94/36/428639436.db2.gz BNLCGRKOXXRUFX-HNNXBMFYSA-N 1 3 322.415 2.744 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000415956783 428635332 /nfs/dbraw/zinc/63/53/32/428635332.db2.gz OQVJLMYAMOPQIP-GDBMZVCRSA-N 1 3 318.465 2.743 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)CO2 ZINC000297115493 274126719 /nfs/dbraw/zinc/12/67/19/274126719.db2.gz YHKWIBKGPBWCJD-INIZCTEOSA-N 1 3 318.461 2.851 20 0 DFADHO O=C(NCCC[NH2+]C1CCCCC1)Nc1ccc2c(c1)CNC2 ZINC000415996729 428645265 /nfs/dbraw/zinc/64/52/65/428645265.db2.gz NOLZASPOYOHYRM-UHFFFAOYSA-N 1 3 316.449 2.724 20 0 DFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000416001900 428646428 /nfs/dbraw/zinc/64/64/28/428646428.db2.gz CNMXUJQMCNVJQK-CYBMUJFWSA-N 1 3 304.438 2.532 20 0 DFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000416001900 428646433 /nfs/dbraw/zinc/64/64/33/428646433.db2.gz CNMXUJQMCNVJQK-CYBMUJFWSA-N 1 3 304.438 2.532 20 0 DFADHO CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000353666187 428646914 /nfs/dbraw/zinc/64/69/14/428646914.db2.gz YNCTXAZUQUNDPX-LXZKKBNFSA-N 1 3 323.506 2.765 20 0 DFADHO CC[N@H+](CCC1CCN([C@@H]2CCCCNC2=O)CC1)CC(C)C ZINC000358739072 428651820 /nfs/dbraw/zinc/65/18/20/428651820.db2.gz DXJMWOXDEAUACE-GOSISDBHSA-N 1 3 323.525 2.735 20 0 DFADHO CC[N@@H+](CCC1CCN([C@@H]2CCCCNC2=O)CC1)CC(C)C ZINC000358739072 428651827 /nfs/dbraw/zinc/65/18/27/428651827.db2.gz DXJMWOXDEAUACE-GOSISDBHSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccncc1 ZINC000090523896 274244427 /nfs/dbraw/zinc/24/44/27/274244427.db2.gz BCQMAWOLGGFCJC-OLMNPRSZSA-N 1 3 303.450 2.500 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000362252238 428676440 /nfs/dbraw/zinc/67/64/40/428676440.db2.gz WIAPZLNKQFAEHL-HZPDHXFCSA-N 1 3 310.482 2.915 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000362252238 428676446 /nfs/dbraw/zinc/67/64/46/428676446.db2.gz WIAPZLNKQFAEHL-HZPDHXFCSA-N 1 3 310.482 2.915 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000358774968 428669346 /nfs/dbraw/zinc/66/93/46/428669346.db2.gz OEAHSGFGNKTALJ-JLSDUUJJSA-N 1 3 316.493 2.900 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000358774968 428669352 /nfs/dbraw/zinc/66/93/52/428669352.db2.gz OEAHSGFGNKTALJ-JLSDUUJJSA-N 1 3 316.493 2.900 20 0 DFADHO CC[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)N(CC)CC ZINC000344540911 428673784 /nfs/dbraw/zinc/67/37/84/428673784.db2.gz KQVCYRNFSMUCAH-DLBZAZTESA-N 1 3 311.514 2.878 20 0 DFADHO CC[C@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)N(CC)CC ZINC000344540911 428673791 /nfs/dbraw/zinc/67/37/91/428673791.db2.gz KQVCYRNFSMUCAH-DLBZAZTESA-N 1 3 311.514 2.878 20 0 DFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000353764412 428704777 /nfs/dbraw/zinc/70/47/77/428704777.db2.gz XYBRFDRVFUMHQM-ZWKOTPCHSA-N 1 3 321.509 2.632 20 0 DFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000353764412 428704783 /nfs/dbraw/zinc/70/47/83/428704783.db2.gz XYBRFDRVFUMHQM-ZWKOTPCHSA-N 1 3 321.509 2.632 20 0 DFADHO Cc1ncc(CNC2CCC([NH+]3CCC(C)CC3)CC2)cn1 ZINC000344846345 428713441 /nfs/dbraw/zinc/71/34/41/428713441.db2.gz LPPWBYZPSDBASO-UHFFFAOYSA-N 1 3 302.466 2.918 20 0 DFADHO CCCC[C@@H](N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000353725486 428677389 /nfs/dbraw/zinc/67/73/89/428677389.db2.gz AIKHSRFOKSEUTF-QGZVFWFLSA-N 1 3 303.450 2.781 20 0 DFADHO CC(C)[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)N1CCCCC1 ZINC000358809696 428685940 /nfs/dbraw/zinc/68/59/40/428685940.db2.gz FDCKLTUEXFFAEE-KRWDZBQOSA-N 1 3 323.525 2.878 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2coc3ccccc23)CC1 ZINC000344629610 428686296 /nfs/dbraw/zinc/68/62/96/428686296.db2.gz LHCIPOWDLJTJPI-UHFFFAOYSA-N 1 3 302.418 2.758 20 0 DFADHO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000353940077 428786221 /nfs/dbraw/zinc/78/62/21/428786221.db2.gz ACZQGEYHGIUIIN-PKOBYXMFSA-N 1 3 320.477 2.922 20 0 DFADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000353941249 428787337 /nfs/dbraw/zinc/78/73/37/428787337.db2.gz FTNNBRLSJNTRGQ-HKUYNNGSSA-N 1 3 320.477 2.922 20 0 DFADHO Cc1cc(CC[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)on1 ZINC000353946704 428788482 /nfs/dbraw/zinc/78/84/82/428788482.db2.gz JBFXGQVMGWBXIY-OAHLLOKOSA-N 1 3 317.433 2.817 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@@H](O)CC(F)(F)F ZINC000348412118 428735860 /nfs/dbraw/zinc/73/58/60/428735860.db2.gz ZPYYHNNXYXHUPW-MELADBBJSA-N 1 3 310.404 2.790 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000348412118 428735864 /nfs/dbraw/zinc/73/58/64/428735864.db2.gz ZPYYHNNXYXHUPW-MELADBBJSA-N 1 3 310.404 2.790 20 0 DFADHO CC(CCN1CCOC(C)(C)C1)CC[N@@H+]1CCOC(C)(C)C1 ZINC000411126265 428742791 /nfs/dbraw/zinc/74/27/91/428742791.db2.gz MTGCVVGQKDWUCA-UHFFFAOYSA-N 1 3 312.498 2.624 20 0 DFADHO CC(CCN1C[C@H](C)OC[C@@H]1C)CC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000411145832 428744618 /nfs/dbraw/zinc/74/46/18/428744618.db2.gz MGWQDQBCPPKQLN-XSLAGTTESA-N 1 3 312.498 2.621 20 0 DFADHO CC(CCN1C[C@H](C)OC[C@@H]1C)CC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000411145832 428744622 /nfs/dbraw/zinc/74/46/22/428744622.db2.gz MGWQDQBCPPKQLN-XSLAGTTESA-N 1 3 312.498 2.621 20 0 DFADHO CC[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000411452619 428799481 /nfs/dbraw/zinc/79/94/81/428799481.db2.gz HBGGOIFOUFEHKS-SFHVURJKSA-N 1 3 317.477 2.716 20 0 DFADHO Cc1ccc([C@@H](C)NCC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000411462534 428803493 /nfs/dbraw/zinc/80/34/93/428803493.db2.gz QWQXHIFQUUALBD-MRXNPFEDSA-N 1 3 317.477 2.635 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCC(C)(C)C ZINC000348639497 428805249 /nfs/dbraw/zinc/80/52/49/428805249.db2.gz YTRJXFXOELEDPK-INIZCTEOSA-N 1 3 311.514 2.687 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCC(C)(C)C ZINC000348639497 428805253 /nfs/dbraw/zinc/80/52/53/428805253.db2.gz YTRJXFXOELEDPK-INIZCTEOSA-N 1 3 311.514 2.687 20 0 DFADHO C[C@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)[C@@H]1CO ZINC000411620004 428824284 /nfs/dbraw/zinc/82/42/84/428824284.db2.gz PJIDKLZSVOEUPN-QFBILLFUSA-N 1 3 302.462 2.875 20 0 DFADHO C[C@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)[C@@H]1CO ZINC000411620004 428824292 /nfs/dbraw/zinc/82/42/92/428824292.db2.gz PJIDKLZSVOEUPN-QFBILLFUSA-N 1 3 302.462 2.875 20 0 DFADHO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000411655147 428834226 /nfs/dbraw/zinc/83/42/26/428834226.db2.gz IRJNUZVFKSSLAE-VQIMIIECSA-N 1 3 302.462 2.875 20 0 DFADHO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000411655147 428834230 /nfs/dbraw/zinc/83/42/30/428834230.db2.gz IRJNUZVFKSSLAE-VQIMIIECSA-N 1 3 302.462 2.875 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccccc1OC ZINC000349059967 428909205 /nfs/dbraw/zinc/90/92/05/428909205.db2.gz CWSFDMVWNSJGKG-SFHVURJKSA-N 1 3 319.493 2.543 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccccc1OC ZINC000349059967 428909210 /nfs/dbraw/zinc/90/92/10/428909210.db2.gz CWSFDMVWNSJGKG-SFHVURJKSA-N 1 3 319.493 2.543 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(C)ccc2OC)C1 ZINC000354088908 428854877 /nfs/dbraw/zinc/85/48/77/428854877.db2.gz WBYDYRUCMJGZTM-SFHVURJKSA-N 1 3 320.477 2.936 20 0 DFADHO C[C@H]([NH2+][C@H]1CCc2nccn2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000375377633 428866350 /nfs/dbraw/zinc/86/63/50/428866350.db2.gz GLRNIQQWDHZSLZ-WDSOQIARSA-N 1 3 324.472 2.698 20 0 DFADHO c1cn(CCN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000363152588 428868589 /nfs/dbraw/zinc/86/85/89/428868589.db2.gz YSWASGPONQGYLK-FQEVSTJZSA-N 1 3 324.472 2.871 20 0 DFADHO c1cn(CCN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000363152588 428868593 /nfs/dbraw/zinc/86/85/93/428868593.db2.gz YSWASGPONQGYLK-FQEVSTJZSA-N 1 3 324.472 2.871 20 0 DFADHO CC1(C)C[C@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CO1 ZINC000417893146 428870922 /nfs/dbraw/zinc/87/09/22/428870922.db2.gz DVZLZNCQJVWEIS-ROUUACIJSA-N 1 3 302.462 2.708 20 0 DFADHO CC1(C)C[C@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000417893146 428870929 /nfs/dbraw/zinc/87/09/29/428870929.db2.gz DVZLZNCQJVWEIS-ROUUACIJSA-N 1 3 302.462 2.708 20 0 DFADHO C[C@H]1C[C@H](O)CN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411877064 428875276 /nfs/dbraw/zinc/87/52/76/428875276.db2.gz QFSAQXXRKDBYHR-LPHOPBHVSA-N 1 3 302.462 2.875 20 0 DFADHO C[C@H]1C[C@H](O)CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411877935 428876710 /nfs/dbraw/zinc/87/67/10/428876710.db2.gz QXEUBRNLTQXFCW-LPHOPBHVSA-N 1 3 302.462 2.875 20 0 DFADHO CN(C)C(=O)c1ccccc1CNCCCCC[NH+]1CCCC1 ZINC000418065385 428877893 /nfs/dbraw/zinc/87/78/93/428877893.db2.gz LMMLIBSYHNUDAK-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO Cn1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)c(C(C)(C)C)n1 ZINC000354177212 428898670 /nfs/dbraw/zinc/89/86/70/428898670.db2.gz ONSCNEXESZWEKC-GOSISDBHSA-N 1 3 304.482 2.635 20 0 DFADHO Cn1cc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)c(C(C)(C)C)n1 ZINC000354177212 428898673 /nfs/dbraw/zinc/89/86/73/428898673.db2.gz ONSCNEXESZWEKC-GOSISDBHSA-N 1 3 304.482 2.635 20 0 DFADHO COCCOc1cccc(CN2CCCC23CC[NH+](C)CC3)c1 ZINC000375504460 428901718 /nfs/dbraw/zinc/90/17/18/428901718.db2.gz CWQQFTKWQYCZPB-UHFFFAOYSA-N 1 3 318.461 2.772 20 0 DFADHO COCCOc1cccc(C[N@@H+]2CCCC23CCN(C)CC3)c1 ZINC000375504460 428901725 /nfs/dbraw/zinc/90/17/25/428901725.db2.gz CWQQFTKWQYCZPB-UHFFFAOYSA-N 1 3 318.461 2.772 20 0 DFADHO COCCOc1cccc(C[N@H+]2CCCC23CCN(C)CC3)c1 ZINC000375504460 428901731 /nfs/dbraw/zinc/90/17/31/428901731.db2.gz CWQQFTKWQYCZPB-UHFFFAOYSA-N 1 3 318.461 2.772 20 0 DFADHO CCOC(=O)CC[N@@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000363437843 428914392 /nfs/dbraw/zinc/91/43/92/428914392.db2.gz YATTUCATZAMFKV-SFHVURJKSA-N 1 3 318.461 2.926 20 0 DFADHO CCOC(=O)CC[N@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000363437843 428914397 /nfs/dbraw/zinc/91/43/97/428914397.db2.gz YATTUCATZAMFKV-SFHVURJKSA-N 1 3 318.461 2.926 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000349091622 428919467 /nfs/dbraw/zinc/91/94/67/428919467.db2.gz YSIVRRPROGTXKJ-DLBZAZTESA-N 1 3 311.514 2.734 20 0 DFADHO Cc1cc([C@@H]([NH2+]CC2(O)CCN(C)CC2)C2CC2)ccc1F ZINC000359323612 428920263 /nfs/dbraw/zinc/92/02/63/428920263.db2.gz PQBCGTXLFKGZSI-KRWDZBQOSA-N 1 3 306.425 2.632 20 0 DFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@H](C)N1CCCCCC1 ZINC000359322119 428921488 /nfs/dbraw/zinc/92/14/88/428921488.db2.gz NCCPRPCLPVDCMR-IRXDYDNUSA-N 1 3 309.498 2.632 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000349115840 428922905 /nfs/dbraw/zinc/92/29/05/428922905.db2.gz DZISJCGOOBIXAO-KZNAEPCWSA-N 1 3 323.525 2.735 20 0 DFADHO CC(C)c1nccn1C[C@H]1CCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000363480347 428927038 /nfs/dbraw/zinc/92/70/38/428927038.db2.gz XIZSPMWSTLYNSC-DLBZAZTESA-N 1 3 304.482 2.955 20 0 DFADHO CC(C)c1nccn1C[C@H]1CCCN1CC[C@@H]1CCC[N@H+]1C ZINC000363480347 428927044 /nfs/dbraw/zinc/92/70/44/428927044.db2.gz XIZSPMWSTLYNSC-DLBZAZTESA-N 1 3 304.482 2.955 20 0 DFADHO c1nc([C@H]2CCC[N@@H+](CCN3CCCCC3)C2)n2c1CCCC2 ZINC000375698599 428945431 /nfs/dbraw/zinc/94/54/31/428945431.db2.gz TWRJHNSPEUVUQF-KRWDZBQOSA-N 1 3 316.493 2.885 20 0 DFADHO c1nc([C@H]2CCC[N@H+](CCN3CCCCC3)C2)n2c1CCCC2 ZINC000375698599 428945437 /nfs/dbraw/zinc/94/54/37/428945437.db2.gz TWRJHNSPEUVUQF-KRWDZBQOSA-N 1 3 316.493 2.885 20 0 DFADHO CN1CCCN(CCC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000359377265 428946116 /nfs/dbraw/zinc/94/61/16/428946116.db2.gz YGMTWSBRYLUNPM-IBGZPJMESA-N 1 3 319.468 2.894 20 0 DFADHO CC(=O)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c2ccccc21 ZINC000375720959 428952915 /nfs/dbraw/zinc/95/29/15/428952915.db2.gz UGFVASDQHDESEC-MMNRESRNSA-N 1 3 313.445 2.699 20 0 DFADHO CC(=O)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c2ccccc21 ZINC000375720960 428954575 /nfs/dbraw/zinc/95/45/75/428954575.db2.gz UGFVASDQHDESEC-YCXXCVGLSA-N 1 3 313.445 2.699 20 0 DFADHO COCCSCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000375734663 428956632 /nfs/dbraw/zinc/95/66/32/428956632.db2.gz XHOTWNLAHRZKIA-WBVHZDCISA-N 1 3 312.523 2.705 20 0 DFADHO COCCSCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000375734663 428956636 /nfs/dbraw/zinc/95/66/36/428956636.db2.gz XHOTWNLAHRZKIA-WBVHZDCISA-N 1 3 312.523 2.705 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC000433349447 429027947 /nfs/dbraw/zinc/02/79/47/429027947.db2.gz CBLREUFQNXVTJW-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000433376663 429029867 /nfs/dbraw/zinc/02/98/67/429029867.db2.gz JXSRCANCDIHOFD-ZWKOTPCHSA-N 1 3 321.509 2.726 20 0 DFADHO CC(C)[C@@H](C(=O)Nc1cc(CN)cc(C(F)(F)F)c1)[C@@H](C)[NH3+] ZINC000423624027 428986045 /nfs/dbraw/zinc/98/60/45/428986045.db2.gz PESXJAVSJBXRJU-NOZJJQNGSA-N 1 3 317.355 2.722 20 0 DFADHO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000375855236 428999412 /nfs/dbraw/zinc/99/94/12/428999412.db2.gz ZSZVNAMDGWPUFD-KSZLIROESA-N 1 3 316.493 2.890 20 0 DFADHO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000375855236 428999420 /nfs/dbraw/zinc/99/94/20/428999420.db2.gz ZSZVNAMDGWPUFD-KSZLIROESA-N 1 3 316.493 2.890 20 0 DFADHO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cn1 ZINC000375855236 428999427 /nfs/dbraw/zinc/99/94/27/428999427.db2.gz ZSZVNAMDGWPUFD-KSZLIROESA-N 1 3 316.493 2.890 20 0 DFADHO Cc1ccnc(NC[C@H]2CC[N@@H+](CC[C@H]3CCCCN3C)C2)c1 ZINC000375868825 429002237 /nfs/dbraw/zinc/00/22/37/429002237.db2.gz HAIWKCDTHTUCSA-QZTJIDSGSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1ccnc(NC[C@H]2CC[N@H+](CC[C@H]3CCCCN3C)C2)c1 ZINC000375868825 429002239 /nfs/dbraw/zinc/00/22/39/429002239.db2.gz HAIWKCDTHTUCSA-QZTJIDSGSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1ccnc(NC[C@H]2CCN(CC[C@H]3CCCC[N@H+]3C)C2)c1 ZINC000375868825 429002242 /nfs/dbraw/zinc/00/22/42/429002242.db2.gz HAIWKCDTHTUCSA-QZTJIDSGSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1ccnc(NC[C@H]2CCN(CC[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000375868825 429002247 /nfs/dbraw/zinc/00/22/47/429002247.db2.gz HAIWKCDTHTUCSA-QZTJIDSGSA-N 1 3 316.493 2.998 20 0 DFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1(N)CCCCC1 ZINC000423748378 429007085 /nfs/dbraw/zinc/00/70/85/429007085.db2.gz UIGJUKPFMCMPQR-UHFFFAOYSA-N 1 3 317.477 2.758 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000423749123 429009390 /nfs/dbraw/zinc/00/93/90/429009390.db2.gz VJKHDSNUOQRHRN-IBGZPJMESA-N 1 3 317.477 2.629 20 0 DFADHO Cc1cc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)c2ccccc2[nH+]1 ZINC000375907159 429014486 /nfs/dbraw/zinc/01/44/86/429014486.db2.gz RNEINNVNGJEQOZ-MJGOQNOKSA-N 1 3 311.429 2.579 20 0 DFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H](N)CC1CCCCC1 ZINC000423453030 429090674 /nfs/dbraw/zinc/09/06/74/429090674.db2.gz ZXQGOIOHRXUNOD-IAGOWNOFSA-N 1 3 309.498 2.617 20 0 DFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H](N)CC1CCCCC1 ZINC000423453030 429090678 /nfs/dbraw/zinc/09/06/78/429090678.db2.gz ZXQGOIOHRXUNOD-IAGOWNOFSA-N 1 3 309.498 2.617 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](C)O1 ZINC000423463356 429093346 /nfs/dbraw/zinc/09/33/46/429093346.db2.gz FTIQRCQLSYSUOC-OGSMBTDCSA-N 1 3 306.425 2.674 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@@H](C)O1 ZINC000423463356 429093351 /nfs/dbraw/zinc/09/33/51/429093351.db2.gz FTIQRCQLSYSUOC-OGSMBTDCSA-N 1 3 306.425 2.674 20 0 DFADHO Cn1cc([C@H](NCCC[C@@H]2CCC[NH2+]2)c2cccc(F)c2)cn1 ZINC000423488371 429095992 /nfs/dbraw/zinc/09/59/92/429095992.db2.gz VKTXSQDJDLFUQU-ZWKOTPCHSA-N 1 3 316.424 2.770 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@@H]2CN)cc1OC ZINC000423278312 429055815 /nfs/dbraw/zinc/05/58/15/429055815.db2.gz QPFVKWYJZFQENV-CLWVCHIJSA-N 1 3 306.450 2.913 20 0 DFADHO CCc1ccccc1[C@H](N)CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423935826 429059923 /nfs/dbraw/zinc/05/99/23/429059923.db2.gz BLXRTXDKWSJMRU-FZKQIMNGSA-N 1 3 311.429 2.699 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000423305012 429060604 /nfs/dbraw/zinc/06/06/04/429060604.db2.gz ZYCIFNDUVJUHET-KBXCAEBGSA-N 1 3 311.429 2.739 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000423305013 429061445 /nfs/dbraw/zinc/06/14/45/429061445.db2.gz ZYCIFNDUVJUHET-KDOFPFPSSA-N 1 3 311.429 2.739 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1NCCCC1(C)C ZINC000423321051 429063960 /nfs/dbraw/zinc/06/39/60/429063960.db2.gz FXMSKWXDGPDQMQ-JKSUJKDBSA-N 1 3 309.498 2.535 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1NCCCC1(C)C ZINC000423321051 429063966 /nfs/dbraw/zinc/06/39/66/429063966.db2.gz FXMSKWXDGPDQMQ-JKSUJKDBSA-N 1 3 309.498 2.535 20 0 DFADHO Cc1c([C@H](C)NCC2=CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000423330570 429064800 /nfs/dbraw/zinc/06/48/00/429064800.db2.gz CDJXGACWPZVUQF-ZDUSSCGKSA-N 1 3 314.408 2.890 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423323518 429065846 /nfs/dbraw/zinc/06/58/46/429065846.db2.gz HZMRQHGFJTWWEU-FUHWJXTLSA-N 1 3 323.525 2.912 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423323518 429065850 /nfs/dbraw/zinc/06/58/50/429065850.db2.gz HZMRQHGFJTWWEU-FUHWJXTLSA-N 1 3 323.525 2.912 20 0 DFADHO Cc1c([C@@H](C)NCCCC[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000423337474 429067214 /nfs/dbraw/zinc/06/72/14/429067214.db2.gz RAPPQNKOMKIXOH-LLVKDONJSA-N 1 3 307.829 2.619 20 0 DFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H](N)C3CCC3)cc2)C1 ZINC000423341354 429067711 /nfs/dbraw/zinc/06/77/11/429067711.db2.gz UFSFLZBROHOUDQ-KBXCAEBGSA-N 1 3 315.461 2.984 20 0 DFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H](N)C3CCC3)cc2)C1 ZINC000423341354 429067715 /nfs/dbraw/zinc/06/77/15/429067715.db2.gz UFSFLZBROHOUDQ-KBXCAEBGSA-N 1 3 315.461 2.984 20 0 DFADHO CCC[NH+]1CCC(CNC(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000423343413 429069539 /nfs/dbraw/zinc/06/95/39/429069539.db2.gz DLLRKLLTTCKJHK-KRWDZBQOSA-N 1 3 309.498 2.522 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CCCNC2)C1 ZINC000423347508 429070040 /nfs/dbraw/zinc/07/00/40/429070040.db2.gz RLPZTYRQRQJSOX-LZLYRXPVSA-N 1 3 310.482 2.868 20 0 DFADHO C[C@H](Cc1ccc(F)cc1Br)NC[C@@H]1CC[NH2+]C1 ZINC000423345619 429070274 /nfs/dbraw/zinc/07/02/74/429070274.db2.gz PHAZWQZSUBVJMT-GHMZBOCLSA-N 1 3 315.230 2.718 20 0 DFADHO COc1cccc(C[C@H]([NH2+]C[C@@]2(C)CCCNC2)C2CC2)c1 ZINC000423347489 429070401 /nfs/dbraw/zinc/07/04/01/429070401.db2.gz RJWIJLFKGLERKV-OALUTQOASA-N 1 3 302.462 2.996 20 0 DFADHO C[C@H]1[C@H](NCC[C@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000423355331 429071180 /nfs/dbraw/zinc/07/11/80/429071180.db2.gz IAZLEAXBXYLEQV-QXAKKESOSA-N 1 3 301.478 2.771 20 0 DFADHO Fc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H]2CCCOCC2)cc1F ZINC000423361065 429073026 /nfs/dbraw/zinc/07/30/26/429073026.db2.gz GOGHITKGNUSSOO-GRDNDAEWSA-N 1 3 310.388 2.569 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000423365994 429074359 /nfs/dbraw/zinc/07/43/59/429074359.db2.gz BIXWRAJJDZPFHQ-UKRRQHHQSA-N 1 3 309.404 2.793 20 0 DFADHO Cn1nccc1[C@@H]1CCC[C@H](NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000423380196 429076911 /nfs/dbraw/zinc/07/69/11/429076911.db2.gz HARKEFAYVSDYQY-HLLBOEOZSA-N 1 3 304.482 2.814 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)c2ccccc21 ZINC000423391987 429078685 /nfs/dbraw/zinc/07/86/85/429078685.db2.gz XGBNAOGMIXEFOT-DTDBQYNISA-N 1 3 316.445 2.898 20 0 DFADHO COCC1(CN[C@@H](c2ncc[nH]2)C2CCCCC2)CC[NH2+]CC1 ZINC000423396888 429079795 /nfs/dbraw/zinc/07/97/95/429079795.db2.gz BQNCKZINBAKKCH-MRXNPFEDSA-N 1 3 320.481 2.637 20 0 DFADHO CC[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423395406 429079816 /nfs/dbraw/zinc/07/98/16/429079816.db2.gz SNQWKDLQKOKECW-HUUCEWRRSA-N 1 3 315.383 2.563 20 0 DFADHO c1ccc2c(c1)CCN[C@@H]2CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423421138 429085925 /nfs/dbraw/zinc/08/59/25/429085925.db2.gz JVBYOTVKHHWWJE-MTQWCTHYSA-N 1 3 313.489 2.774 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000423448012 429088765 /nfs/dbraw/zinc/08/87/65/429088765.db2.gz POYPHQWWFQWSME-IHRRRGAJSA-N 1 3 306.454 2.947 20 0 DFADHO CCOc1ccccc1OCCN(CC)[C@@H]1CCC[NH2+]CC1 ZINC000435625649 429155145 /nfs/dbraw/zinc/15/51/45/429155145.db2.gz IIHGRCUZFVTQFA-MRXNPFEDSA-N 1 3 306.450 2.928 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CNCCCO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423493962 429098617 /nfs/dbraw/zinc/09/86/17/429098617.db2.gz RLMUTWHGUOZGFX-ZDEQEGDKSA-N 1 3 314.882 2.862 20 0 DFADHO C[C@H](NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423493962 429098620 /nfs/dbraw/zinc/09/86/20/429098620.db2.gz RLMUTWHGUOZGFX-ZDEQEGDKSA-N 1 3 314.882 2.862 20 0 DFADHO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CNCCCO1 ZINC000423494668 429098887 /nfs/dbraw/zinc/09/88/87/429098887.db2.gz SOHIRFLAMVHJCB-GXTWGEPZSA-N 1 3 316.367 2.605 20 0 DFADHO FC1(F)Oc2ccc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2O1 ZINC000424139456 429098949 /nfs/dbraw/zinc/09/89/49/429098949.db2.gz VHXARTNAMDDCFL-GFCCVEGCSA-N 1 3 310.344 2.582 20 0 DFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000452347297 429099201 /nfs/dbraw/zinc/09/92/01/429099201.db2.gz ZJJCZLKMCYOLQO-SFHVURJKSA-N 1 3 323.525 2.734 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc1 ZINC000434671486 429104026 /nfs/dbraw/zinc/10/40/26/429104026.db2.gz UWMMNSWYRRYAKT-CVEARBPZSA-N 1 3 317.477 2.741 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc1 ZINC000434671486 429104029 /nfs/dbraw/zinc/10/40/29/429104029.db2.gz UWMMNSWYRRYAKT-CVEARBPZSA-N 1 3 317.477 2.741 20 0 DFADHO CN1CC[NH2+]C[C@H]1CN[C@H]1CCCc2c3ccccc3sc21 ZINC000423510594 429104117 /nfs/dbraw/zinc/10/41/17/429104117.db2.gz JWAAXBHJUCJILF-BBRMVZONSA-N 1 3 315.486 2.772 20 0 DFADHO c1ccc([C@@H]2CNC[C@H]2[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000423525659 429109322 /nfs/dbraw/zinc/10/93/22/429109322.db2.gz KUKCJPIUTYDLDW-UHZRXMQZSA-N 1 3 314.473 2.927 20 0 DFADHO COC(=O)CC1CC([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000424277588 429118138 /nfs/dbraw/zinc/11/81/38/429118138.db2.gz HATDXZAHLKMOSY-YHNBSYBMSA-N 1 3 308.466 2.571 20 0 DFADHO CN1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C2(CCCCC2)C1 ZINC000424279058 429119692 /nfs/dbraw/zinc/11/96/92/429119692.db2.gz FHZXRVMYGGMJRI-QGZVFWFLSA-N 1 3 319.468 2.818 20 0 DFADHO CN1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)C2(CCCCC2)C1 ZINC000424279057 429120244 /nfs/dbraw/zinc/12/02/44/429120244.db2.gz FHZXRVMYGGMJRI-KRWDZBQOSA-N 1 3 319.468 2.818 20 0 DFADHO CCc1ccccc1NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424288586 429121821 /nfs/dbraw/zinc/12/18/21/429121821.db2.gz KSJYTGQKPNMFSA-HNNXBMFYSA-N 1 3 315.461 2.652 20 0 DFADHO C[C@@H]1CC2(CN1Cc1cnn(-c3ccccc3)c1)CC[NH2+]CC2 ZINC000424301085 429122357 /nfs/dbraw/zinc/12/23/57/429122357.db2.gz WYQHFCZQIIBYBX-MRXNPFEDSA-N 1 3 310.445 2.836 20 0 DFADHO CCc1ccccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000376496443 429122379 /nfs/dbraw/zinc/12/23/79/429122379.db2.gz XKCVQNOVAOZABS-FXAWDEMLSA-N 1 3 315.505 2.707 20 0 DFADHO N[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000424299892 429123121 /nfs/dbraw/zinc/12/31/21/429123121.db2.gz WDFNMRVMZYKTRE-ZIAGYGMSSA-N 1 3 313.239 2.687 20 0 DFADHO CCCCN(CCCC)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424300563 429123444 /nfs/dbraw/zinc/12/34/44/429123444.db2.gz WSXGMSYABDJARH-QGZVFWFLSA-N 1 3 323.525 2.879 20 0 DFADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2N)CCN1Cc1ccccc1 ZINC000424367892 429131271 /nfs/dbraw/zinc/13/12/71/429131271.db2.gz OINSZJKNADNPGO-JCHJZTRSSA-N 1 3 301.478 2.899 20 0 DFADHO CCC[NH+]1CCC(CNC(=O)Nc2cc(C)cc(CN)c2)CC1 ZINC000424433086 429141351 /nfs/dbraw/zinc/14/13/51/429141351.db2.gz ICMFEXXDCVNAAV-UHFFFAOYSA-N 1 3 318.465 2.697 20 0 DFADHO C[C@@H](Cc1ccccc1)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000364330100 429183565 /nfs/dbraw/zinc/18/35/65/429183565.db2.gz UFQMNXWGJFTQKN-ICSRJNTNSA-N 1 3 315.505 2.577 20 0 DFADHO C[C@@H](Cc1ccccc1)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000364330100 429183567 /nfs/dbraw/zinc/18/35/67/429183567.db2.gz UFQMNXWGJFTQKN-ICSRJNTNSA-N 1 3 315.505 2.577 20 0 DFADHO CN(C[C@H](O)C1CCCCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000364489485 429212842 /nfs/dbraw/zinc/21/28/42/429212842.db2.gz FUKHAZSSIUAQSC-IBGZPJMESA-N 1 3 324.509 2.503 20 0 DFADHO C[C@H]1C[C@H](C[NH3+])CN1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000442767325 429234380 /nfs/dbraw/zinc/23/43/80/429234380.db2.gz YJTNDEOVZWVLPP-NWDGAFQWSA-N 1 3 320.824 2.602 20 0 DFADHO c1cc2c(cc1C[NH2+]C[C@H]1CCN(C3CC3)C1)OCCCCO2 ZINC000449073511 429324754 /nfs/dbraw/zinc/32/47/54/429324754.db2.gz IVPCRGJKGCMGQZ-MRXNPFEDSA-N 1 3 316.445 2.812 20 0 DFADHO CCC[C@@H](CN1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000491132402 429327878 /nfs/dbraw/zinc/32/78/78/429327878.db2.gz IQBMHOPQBXAJOC-OALUTQOASA-N 1 3 301.478 2.550 20 0 DFADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000449092235 429328467 /nfs/dbraw/zinc/32/84/67/429328467.db2.gz SQLAYZSIHFVQMP-QGZVFWFLSA-N 1 3 318.461 2.818 20 0 DFADHO COC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC000365507258 429331359 /nfs/dbraw/zinc/33/13/59/429331359.db2.gz YGWMENNPZQIYCE-FUHWJXTLSA-N 1 3 322.493 2.962 20 0 DFADHO COC(=O)[C@H]1CC[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000365507258 429331363 /nfs/dbraw/zinc/33/13/63/429331363.db2.gz YGWMENNPZQIYCE-FUHWJXTLSA-N 1 3 322.493 2.962 20 0 DFADHO COc1cc(F)cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000449103654 429332699 /nfs/dbraw/zinc/33/26/99/429332699.db2.gz RLEGTFOLWHBVNX-GASCZTMLSA-N 1 3 324.440 2.813 20 0 DFADHO COc1ccc(CCN[C@H]2CCC[C@H]([NH3+])C2)c(Cl)c1OC ZINC000517758088 429397205 /nfs/dbraw/zinc/39/72/05/429397205.db2.gz YNMLJKBXYZFYNG-STQMWFEESA-N 1 3 312.841 2.759 20 0 DFADHO COc1ccc(CC[NH2+][C@H]2CCC[C@H](N)C2)c(Cl)c1OC ZINC000517758088 429397210 /nfs/dbraw/zinc/39/72/10/429397210.db2.gz YNMLJKBXYZFYNG-STQMWFEESA-N 1 3 312.841 2.759 20 0 DFADHO C[C@@H]([NH2+]CC1=CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449405441 429405963 /nfs/dbraw/zinc/40/59/63/429405963.db2.gz YMPRRBMTWLQGCC-VQIMIIECSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@@H](NCC1=CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449405441 429405967 /nfs/dbraw/zinc/40/59/67/429405967.db2.gz YMPRRBMTWLQGCC-VQIMIIECSA-N 1 3 300.446 2.833 20 0 DFADHO C[C@@H](NCC1=CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449405441 429405972 /nfs/dbraw/zinc/40/59/72/429405972.db2.gz YMPRRBMTWLQGCC-VQIMIIECSA-N 1 3 300.446 2.833 20 0 DFADHO CC(C)N1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000457118315 429408432 /nfs/dbraw/zinc/40/84/32/429408432.db2.gz MPNWKDUJNCCITD-WMZOPIPTSA-N 1 3 321.509 2.582 20 0 DFADHO CC(C)N1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000457118315 429408437 /nfs/dbraw/zinc/40/84/37/429408437.db2.gz MPNWKDUJNCCITD-WMZOPIPTSA-N 1 3 321.509 2.582 20 0 DFADHO Cn1cc(C[NH2+]CC2=CCN(C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449252980 429366595 /nfs/dbraw/zinc/36/65/95/429366595.db2.gz SFBWQPZWHDBCNS-UHFFFAOYSA-N 1 3 314.408 2.578 20 0 DFADHO Cn1cc(CNCC2=CC[N@H+](C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449252980 429366597 /nfs/dbraw/zinc/36/65/97/429366597.db2.gz SFBWQPZWHDBCNS-UHFFFAOYSA-N 1 3 314.408 2.578 20 0 DFADHO Cn1cc(CNCC2=CC[N@@H+](C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449252980 429366601 /nfs/dbraw/zinc/36/66/01/429366601.db2.gz SFBWQPZWHDBCNS-UHFFFAOYSA-N 1 3 314.408 2.578 20 0 DFADHO C[C@H](C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)CN(C)C ZINC000491591754 429377199 /nfs/dbraw/zinc/37/71/99/429377199.db2.gz OABLCYSNWJBRTQ-QAPCUYQASA-N 1 3 306.450 2.532 20 0 DFADHO CC1(C)CCC[N@@H+]1CCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000457058816 429388799 /nfs/dbraw/zinc/38/87/99/429388799.db2.gz PYOHUOMMXCCTTL-KRWDZBQOSA-N 1 3 321.509 2.774 20 0 DFADHO CC1(C)CCC[N@H+]1CCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000457058816 429388804 /nfs/dbraw/zinc/38/88/04/429388804.db2.gz PYOHUOMMXCCTTL-KRWDZBQOSA-N 1 3 321.509 2.774 20 0 DFADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000449520095 429442743 /nfs/dbraw/zinc/44/27/43/429442743.db2.gz FEKYIYSVXOYFOS-RBUKOAKNSA-N 1 3 315.505 2.781 20 0 DFADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000449520095 429442748 /nfs/dbraw/zinc/44/27/48/429442748.db2.gz FEKYIYSVXOYFOS-RBUKOAKNSA-N 1 3 315.505 2.781 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1)C1CC1 ZINC000449722336 429488390 /nfs/dbraw/zinc/48/83/90/429488390.db2.gz KPJZHPOGGLTHHZ-DOTOQJQBSA-N 1 3 315.461 2.528 20 0 DFADHO O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000449735028 429491747 /nfs/dbraw/zinc/49/17/47/429491747.db2.gz FPXBIJQOPIUBCJ-WKWVNEEDSA-N 1 3 314.473 2.648 20 0 DFADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000519818346 429491977 /nfs/dbraw/zinc/49/19/77/429491977.db2.gz GXLGGIHKTPDAAQ-WMZOPIPTSA-N 1 3 304.478 2.863 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)C2CCC2)CC1 ZINC000449739971 429493013 /nfs/dbraw/zinc/49/30/13/429493013.db2.gz NALKLKRYNFTZPD-JXFKEZNVSA-N 1 3 316.489 2.833 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000524156123 429621330 /nfs/dbraw/zinc/62/13/30/429621330.db2.gz KYTDKZNUHXXCNA-CALCHBBNSA-N 1 3 323.525 2.828 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000524156123 429621332 /nfs/dbraw/zinc/62/13/32/429621332.db2.gz KYTDKZNUHXXCNA-CALCHBBNSA-N 1 3 323.525 2.828 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000450561260 429648625 /nfs/dbraw/zinc/64/86/25/429648625.db2.gz GXKOTHYEMZXSQC-FPAYPSAMSA-N 1 3 304.478 2.813 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000450561260 429648629 /nfs/dbraw/zinc/64/86/29/429648629.db2.gz GXKOTHYEMZXSQC-FPAYPSAMSA-N 1 3 304.478 2.813 20 0 DFADHO COC(=O)c1oc(CN2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000367199210 429595598 /nfs/dbraw/zinc/59/55/98/429595598.db2.gz IWGIUWMJMATYJP-UHFFFAOYSA-N 1 3 320.433 2.682 20 0 DFADHO CCc1cc(NCC2([NH+]3CCC(OC)CC3)CCCC2)ccn1 ZINC000450325202 429599754 /nfs/dbraw/zinc/59/97/54/429599754.db2.gz SPWJLJICTYGNFR-UHFFFAOYSA-N 1 3 317.477 2.901 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000429430558 429607762 /nfs/dbraw/zinc/60/77/62/429607762.db2.gz RYBCDTQAWCKBDL-CUDZTTRCSA-N 1 3 320.452 2.610 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000429430558 429607764 /nfs/dbraw/zinc/60/77/64/429607764.db2.gz RYBCDTQAWCKBDL-CUDZTTRCSA-N 1 3 320.452 2.610 20 0 DFADHO Cc1nccn1CCCCN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429409128 429608070 /nfs/dbraw/zinc/60/80/70/429608070.db2.gz OACCFTUNGRFMGO-MRXNPFEDSA-N 1 3 304.482 2.778 20 0 DFADHO Cc1nccn1CCCCN1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000429409128 429608074 /nfs/dbraw/zinc/60/80/74/429608074.db2.gz OACCFTUNGRFMGO-MRXNPFEDSA-N 1 3 304.482 2.778 20 0 DFADHO Cc1nccn1CCCC[N@H+]1CCN(C2CCC2)C[C@H](C)C1 ZINC000429409128 429608078 /nfs/dbraw/zinc/60/80/78/429608078.db2.gz OACCFTUNGRFMGO-MRXNPFEDSA-N 1 3 304.482 2.778 20 0 DFADHO Cc1nccn1CCCC[N@@H+]1CCN(C2CCC2)C[C@H](C)C1 ZINC000429409128 429608081 /nfs/dbraw/zinc/60/80/81/429608081.db2.gz OACCFTUNGRFMGO-MRXNPFEDSA-N 1 3 304.482 2.778 20 0 DFADHO OC[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1c1ccc(F)cc1 ZINC000429407613 429608735 /nfs/dbraw/zinc/60/87/35/429608735.db2.gz JXFMRGPSIDMENA-YDZRNGNQSA-N 1 3 318.436 2.508 20 0 DFADHO OC[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccc(F)cc1 ZINC000429407613 429608740 /nfs/dbraw/zinc/60/87/40/429608740.db2.gz JXFMRGPSIDMENA-YDZRNGNQSA-N 1 3 318.436 2.508 20 0 DFADHO C[N@H+](CC[C@@H]1CCOC1)[C@H]1CCCN(CC[C@@H]2CCOC2)CC1 ZINC000450613007 429660835 /nfs/dbraw/zinc/66/08/35/429660835.db2.gz LUYKAQDMQAHANE-QRVBRYPASA-N 1 3 324.509 2.626 20 0 DFADHO C[N@@H+](CC[C@@H]1CCOC1)[C@H]1CCCN(CC[C@@H]2CCOC2)CC1 ZINC000450613007 429660840 /nfs/dbraw/zinc/66/08/40/429660840.db2.gz LUYKAQDMQAHANE-QRVBRYPASA-N 1 3 324.509 2.626 20 0 DFADHO CC(C)[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)N1CCCCC1 ZINC000354325202 276012654 /nfs/dbraw/zinc/01/26/54/276012654.db2.gz SXTAAXKATHRBGY-GOSISDBHSA-N 1 3 323.525 2.735 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C)[C@H]2c2ccccc2)[C@H](C)C1 ZINC000369849760 276229408 /nfs/dbraw/zinc/22/94/08/276229408.db2.gz CZRUFKMMAWWMOC-GTAWCEEGSA-N 1 3 315.505 2.999 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@H](C)C1 ZINC000167473386 276230520 /nfs/dbraw/zinc/23/05/20/276230520.db2.gz NZDDAHPSMDWEQE-CPUCHLNUSA-N 1 3 323.431 2.863 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@H](C)C1 ZINC000167473386 276230521 /nfs/dbraw/zinc/23/05/21/276230521.db2.gz NZDDAHPSMDWEQE-CPUCHLNUSA-N 1 3 323.431 2.863 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430552745 429690155 /nfs/dbraw/zinc/69/01/55/429690155.db2.gz KOEGACFXGPYZCM-UONOGXRCSA-N 1 3 307.413 2.522 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367606441 429685107 /nfs/dbraw/zinc/68/51/07/429685107.db2.gz KATHSVPRGHYXMV-AXUOBQJMSA-N 1 3 318.461 2.925 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367606441 429685110 /nfs/dbraw/zinc/68/51/10/429685110.db2.gz KATHSVPRGHYXMV-AXUOBQJMSA-N 1 3 318.461 2.925 20 0 DFADHO C[C@@](C[NH3+])(NCCC(=O)Nc1ccc(Cl)cc1F)C1CC1 ZINC000430590452 429698639 /nfs/dbraw/zinc/69/86/39/429698639.db2.gz KZPPIVQZFZSPBV-HNNXBMFYSA-N 1 3 313.804 2.525 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cnc(-c2ccco2)s1 ZINC000193142709 276335411 /nfs/dbraw/zinc/33/54/11/276335411.db2.gz HIYUQCMYPVOHCI-ZDUSSCGKSA-N 1 3 323.462 2.850 20 0 DFADHO CCN(CCC1CC[NH2+]CC1)CC(=O)Nc1c(C)cccc1C ZINC000359229656 276343033 /nfs/dbraw/zinc/34/30/33/276343033.db2.gz YMWPXXYQPMSSRE-UHFFFAOYSA-N 1 3 317.477 2.954 20 0 DFADHO Cc1[nH+]c2ccccc2c(N2C[C@@H](C)N(CCO)[C@@H](C)C2)c1C ZINC000450787022 429699819 /nfs/dbraw/zinc/69/98/19/429699819.db2.gz BGSFEZHKDYBNFU-OKILXGFUSA-N 1 3 313.445 2.743 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCc2c1c(F)ccc2F ZINC000269883839 276357916 /nfs/dbraw/zinc/35/79/16/276357916.db2.gz BEKZNYRYECDVOC-WBMJQRKESA-N 1 3 312.404 2.899 20 0 DFADHO CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000367689731 429701610 /nfs/dbraw/zinc/70/16/10/429701610.db2.gz RZZAKSGVHQCPEF-INIZCTEOSA-N 1 3 318.509 2.709 20 0 DFADHO CCc1nn(C)c(CC)c1C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000367689731 429701614 /nfs/dbraw/zinc/70/16/14/429701614.db2.gz RZZAKSGVHQCPEF-INIZCTEOSA-N 1 3 318.509 2.709 20 0 DFADHO COc1cc2c(c(CN3CCC4(CC[NH2+]C4)CC3)c1)O[C@@H](C)C2 ZINC000430918540 429722565 /nfs/dbraw/zinc/72/25/65/429722565.db2.gz HTGCYFKQCIGPRS-AWEZNQCLSA-N 1 3 316.445 2.594 20 0 DFADHO Fc1ccccc1-c1n[nH]cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430928274 429724632 /nfs/dbraw/zinc/72/46/32/429724632.db2.gz LAEHCIWSQJRCRI-UHFFFAOYSA-N 1 3 314.408 2.791 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000367872067 429732659 /nfs/dbraw/zinc/73/26/59/429732659.db2.gz WPAUZWDOOGOGAU-ROUUACIJSA-N 1 3 306.425 2.593 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000367872067 429732661 /nfs/dbraw/zinc/73/26/61/429732661.db2.gz WPAUZWDOOGOGAU-ROUUACIJSA-N 1 3 306.425 2.593 20 0 DFADHO CCOc1cc(CNCC2CC[NH+](C)CC2)c(F)cc1OC ZINC000527653098 429773126 /nfs/dbraw/zinc/77/31/26/429773126.db2.gz JMJGQXLQOMQIGF-UHFFFAOYSA-N 1 3 310.413 2.664 20 0 DFADHO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C)c1 ZINC000368050208 429774915 /nfs/dbraw/zinc/77/49/15/429774915.db2.gz DNFBUFYSIALEKM-HXUWFJFHSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C)c1 ZINC000368050208 429774918 /nfs/dbraw/zinc/77/49/18/429774918.db2.gz DNFBUFYSIALEKM-HXUWFJFHSA-N 1 3 315.505 2.904 20 0 DFADHO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1)CN(C)C ZINC000451171347 429779878 /nfs/dbraw/zinc/77/98/78/429779878.db2.gz ISAKERSXAXALKA-CYBMUJFWSA-N 1 3 304.413 2.514 20 0 DFADHO C[C@H]1CCCN(CCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000431748855 429780427 /nfs/dbraw/zinc/78/04/27/429780427.db2.gz JCLJPVOXPJZHNC-FUHWJXTLSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527692316 429780889 /nfs/dbraw/zinc/78/08/89/429780889.db2.gz SBFFKQFNKAFFPU-DSYPUSFNSA-N 1 3 314.473 2.777 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@]2(C)COc3ccccc3O2)[C@H]2CCC[C@@H]21 ZINC000527935536 429823708 /nfs/dbraw/zinc/82/37/08/429823708.db2.gz ZWIMAWLIZAPSOV-PASDCYSWSA-N 1 3 316.445 2.679 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@]2(C)COc3ccccc3O2)[C@H]2CCC[C@@H]21 ZINC000527935536 429823710 /nfs/dbraw/zinc/82/37/10/429823710.db2.gz ZWIMAWLIZAPSOV-PASDCYSWSA-N 1 3 316.445 2.679 20 0 DFADHO CN1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)[C@H]2CCC[C@H]21 ZINC000527952046 429827275 /nfs/dbraw/zinc/82/72/75/429827275.db2.gz SRXFDEVIUNSMJU-ZSYWTGECSA-N 1 3 305.510 2.856 20 0 DFADHO c1ccc(COC2CC(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000493888959 429846180 /nfs/dbraw/zinc/84/61/80/429846180.db2.gz QTOREDBQUQSQIC-GMNCBBECSA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(COC2CC(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000493888959 429846183 /nfs/dbraw/zinc/84/61/83/429846183.db2.gz QTOREDBQUQSQIC-GMNCBBECSA-N 1 3 300.446 2.951 20 0 DFADHO CCN(C(=O)[C@H](C)[C@H](C)[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000493953591 429851468 /nfs/dbraw/zinc/85/14/68/429851468.db2.gz VJXBRWRMHQFYFE-MUQADHOPSA-N 1 3 317.477 2.654 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)N1CCCCC1 ZINC000368460647 429852587 /nfs/dbraw/zinc/85/25/87/429852587.db2.gz AUEFYGXNSAYEJI-KRWDZBQOSA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)N1CCCCC1 ZINC000368460647 429852591 /nfs/dbraw/zinc/85/25/91/429852591.db2.gz AUEFYGXNSAYEJI-KRWDZBQOSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@@H]1CC12CC2 ZINC000527868561 429811946 /nfs/dbraw/zinc/81/19/46/429811946.db2.gz KTWSNRMJAOISQB-KXBFYZLASA-N 1 3 314.473 2.922 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000528512750 429895564 /nfs/dbraw/zinc/89/55/64/429895564.db2.gz NFUQFHJHFJHENZ-MOPGFXCFSA-N 1 3 320.452 2.801 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000528512750 429895565 /nfs/dbraw/zinc/89/55/65/429895565.db2.gz NFUQFHJHFJHENZ-MOPGFXCFSA-N 1 3 320.452 2.801 20 0 DFADHO CO[C@@H](C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1)c1ccc(F)cc1 ZINC000528519705 429896498 /nfs/dbraw/zinc/89/64/98/429896498.db2.gz VTFZTBWIRHDPDK-ROUUACIJSA-N 1 3 306.425 2.931 20 0 DFADHO CO[C@@H](C[N@H+]1CCC[C@@]2(CCN(C)C2)C1)c1ccc(F)cc1 ZINC000528519705 429896500 /nfs/dbraw/zinc/89/65/00/429896500.db2.gz VTFZTBWIRHDPDK-ROUUACIJSA-N 1 3 306.425 2.931 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C)C3(CCC3)C2)CC1 ZINC000369197308 429918967 /nfs/dbraw/zinc/91/89/67/429918967.db2.gz IDZFSSJBNXIZDL-SFHVURJKSA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C)C3(CCC3)C2)CC1 ZINC000369197308 429918968 /nfs/dbraw/zinc/91/89/68/429918968.db2.gz IDZFSSJBNXIZDL-SFHVURJKSA-N 1 3 307.526 2.915 20 0 DFADHO CCc1noc(-c2ccc(CCN[C@H]3CCC[C@@H]([NH3+])C3)cc2)n1 ZINC000573505694 429958084 /nfs/dbraw/zinc/95/80/84/429958084.db2.gz LEIXWBREKSFMHN-CVEARBPZSA-N 1 3 314.433 2.701 20 0 DFADHO CCc1noc(-c2ccc(CC[NH2+][C@H]3CCC[C@@H](N)C3)cc2)n1 ZINC000573505694 429958088 /nfs/dbraw/zinc/95/80/88/429958088.db2.gz LEIXWBREKSFMHN-CVEARBPZSA-N 1 3 314.433 2.701 20 0 DFADHO CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C(C)(C)C ZINC000639748378 429967656 /nfs/dbraw/zinc/96/76/56/429967656.db2.gz ZNGVYLTVVOLSKD-RTBURBONSA-N 1 3 315.505 2.923 20 0 DFADHO CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C(C)(C)C ZINC000639748378 429967658 /nfs/dbraw/zinc/96/76/58/429967658.db2.gz ZNGVYLTVVOLSKD-RTBURBONSA-N 1 3 315.505 2.923 20 0 DFADHO C[NH+]1CCC2(CCN(Cc3cncn3Cc3ccccc3)C2)CC1 ZINC000639755081 429969911 /nfs/dbraw/zinc/96/99/11/429969911.db2.gz FBQWFVAEQCKDNQ-UHFFFAOYSA-N 1 3 324.472 2.849 20 0 DFADHO CC(C)N1CC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000558419615 429971745 /nfs/dbraw/zinc/97/17/45/429971745.db2.gz SGMLBTWPKHDWGJ-QGZVFWFLSA-N 1 3 302.462 2.874 20 0 DFADHO CSC1(CNCc2cccc(F)c2F)CC[NH+](C)CC1 ZINC000558492608 429974774 /nfs/dbraw/zinc/97/47/74/429974774.db2.gz BPESLIUSFPNPFT-UHFFFAOYSA-N 1 3 300.418 2.882 20 0 DFADHO Fc1ccc(OCCN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639682580 429944821 /nfs/dbraw/zinc/94/48/21/429944821.db2.gz YWXAZWYASJSPDQ-UHFFFAOYSA-N 1 3 315.392 2.812 20 0 DFADHO Cc1nc(C)c(CN2CCCN(c3cc[nH+]cc3)CC2)s1 ZINC000639683423 429946518 /nfs/dbraw/zinc/94/65/18/429946518.db2.gz YSGSGGUTGKQIET-UHFFFAOYSA-N 1 3 302.447 2.867 20 0 DFADHO COCc1cccc(CN2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639703680 429953244 /nfs/dbraw/zinc/95/32/44/429953244.db2.gz KWJPIZKHAAKANY-UHFFFAOYSA-N 1 3 311.429 2.940 20 0 DFADHO COc1nc2ccccc2cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000574084559 430009711 /nfs/dbraw/zinc/00/97/11/430009711.db2.gz NYFSSEQDWXKHRB-IYBDPMFKSA-N 1 3 311.429 2.675 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000530220931 430106026 /nfs/dbraw/zinc/10/60/26/430106026.db2.gz KQQYHZKVSOUBDV-QRQLOZEOSA-N 1 3 320.452 2.847 20 0 DFADHO Fc1ccc2c(c1)[C@H](N1CCC(CO[C@H]3CC[NH2+]C3)CC1)CC2 ZINC000530239145 430107476 /nfs/dbraw/zinc/10/74/76/430107476.db2.gz DKRVPEDKQWDQTN-PKOBYXMFSA-N 1 3 318.436 2.904 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCNC23CCC3)cc1F ZINC000530245123 430107739 /nfs/dbraw/zinc/10/77/39/430107739.db2.gz UMZNCTGMTUEZLF-SUMWQHHRSA-N 1 3 306.425 2.887 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000560598036 430057126 /nfs/dbraw/zinc/05/71/26/430057126.db2.gz QCTNXSTYURCRFY-SJLPKXTDSA-N 1 3 317.477 2.670 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)CN1CC[C@H](C)C1)c1ccsc1 ZINC000561146919 430078169 /nfs/dbraw/zinc/07/81/69/430078169.db2.gz XLRLUTJBSYELJK-HOCLYGCPSA-N 1 3 323.506 2.589 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccsc1 ZINC000561146919 430078171 /nfs/dbraw/zinc/07/81/71/430078171.db2.gz XLRLUTJBSYELJK-HOCLYGCPSA-N 1 3 323.506 2.589 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccsc1 ZINC000561146919 430078175 /nfs/dbraw/zinc/07/81/75/430078175.db2.gz XLRLUTJBSYELJK-HOCLYGCPSA-N 1 3 323.506 2.589 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)CN1CC[C@H](C)C1)c1ccsc1 ZINC000561146919 430078179 /nfs/dbraw/zinc/07/81/79/430078179.db2.gz XLRLUTJBSYELJK-HOCLYGCPSA-N 1 3 323.506 2.589 20 0 DFADHO C[NH+](C)CC1CCN([C@@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000637907179 430168386 /nfs/dbraw/zinc/16/83/86/430168386.db2.gz HTYOFZPYHSOGOK-MRXNPFEDSA-N 1 3 305.470 2.700 20 0 DFADHO C[NH+](C)CC1CCN([C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000637907179 430168389 /nfs/dbraw/zinc/16/83/89/430168389.db2.gz HTYOFZPYHSOGOK-MRXNPFEDSA-N 1 3 305.470 2.700 20 0 DFADHO C[NH+]1CCC2(CCCN(Cc3cccc4c3OCCO4)C2)CC1 ZINC000369702804 277036814 /nfs/dbraw/zinc/03/68/14/277036814.db2.gz KKUQYBBAZFFYMT-UHFFFAOYSA-N 1 3 316.445 2.766 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000360420292 277060281 /nfs/dbraw/zinc/06/02/81/277060281.db2.gz WBQIAJDGQQXJAJ-QGZVFWFLSA-N 1 3 300.446 2.992 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000581200396 430189176 /nfs/dbraw/zinc/18/91/76/430189176.db2.gz GNOZKCFEXFEFPG-ZWKOTPCHSA-N 1 3 308.441 2.535 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000581200396 430189179 /nfs/dbraw/zinc/18/91/79/430189179.db2.gz GNOZKCFEXFEFPG-ZWKOTPCHSA-N 1 3 308.441 2.535 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000635003314 430191294 /nfs/dbraw/zinc/19/12/94/430191294.db2.gz HYJVNGBTNFWTCR-BTQADYBMSA-N 1 3 321.262 2.804 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000635003314 430191295 /nfs/dbraw/zinc/19/12/95/430191295.db2.gz HYJVNGBTNFWTCR-BTQADYBMSA-N 1 3 321.262 2.804 20 0 DFADHO COC(=O)[C@H]1CC[C@@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000365308437 277132186 /nfs/dbraw/zinc/13/21/86/277132186.db2.gz QGKJZBQFMFDFIU-ONIAQPFYSA-N 1 3 322.493 2.961 20 0 DFADHO COC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000365308437 277132188 /nfs/dbraw/zinc/13/21/88/277132188.db2.gz QGKJZBQFMFDFIU-ONIAQPFYSA-N 1 3 322.493 2.961 20 0 DFADHO C[C@@]1(c2ccccc2)CC[C@H](N2CCC([NH2+]CCO)CC2)C1 ZINC000635002480 430191974 /nfs/dbraw/zinc/19/19/74/430191974.db2.gz SAONTERJWWAISE-RBUKOAKNSA-N 1 3 302.462 2.543 20 0 DFADHO CC1(C)[C@H]([NH2+]Cc2cccc3c2CCNC3)[C@H]2CCCO[C@H]21 ZINC000635007604 430193028 /nfs/dbraw/zinc/19/30/28/430193028.db2.gz FEGYWRYDTQDKJR-KZNAEPCWSA-N 1 3 300.446 2.626 20 0 DFADHO CC(C)n1ccc(C[C@H](C)NCC[C@H]([NH3+])Cc2ccccc2)n1 ZINC000635008157 430193468 /nfs/dbraw/zinc/19/34/68/430193468.db2.gz QVRGJGXOIZCUAJ-WMZOPIPTSA-N 1 3 314.477 2.945 20 0 DFADHO CC(C)n1ccc(C[C@H](C)[NH2+]CC[C@H](N)Cc2ccccc2)n1 ZINC000635008157 430193470 /nfs/dbraw/zinc/19/34/70/430193470.db2.gz QVRGJGXOIZCUAJ-WMZOPIPTSA-N 1 3 314.477 2.945 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@@H](C)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000635010798 430195401 /nfs/dbraw/zinc/19/54/01/430195401.db2.gz BJLNDSAKKLPQPG-WDSOQIARSA-N 1 3 301.478 2.547 20 0 DFADHO C[C@H](CCC(F)(F)F)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008873 430195849 /nfs/dbraw/zinc/19/58/49/430195849.db2.gz LDHAGFNMDBGIAK-LLVKDONJSA-N 1 3 302.344 2.634 20 0 DFADHO COc1ccccc1[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010627 430196640 /nfs/dbraw/zinc/19/66/40/430196640.db2.gz UEEXTKFHRASAKZ-CQSZACIVSA-N 1 3 312.417 2.673 20 0 DFADHO NC[C@H]1c2ccccc2CCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000581312601 430197695 /nfs/dbraw/zinc/19/76/95/430197695.db2.gz YGNYTBQNJQNEEF-MOPGFXCFSA-N 1 3 323.440 2.551 20 0 DFADHO NC[C@@H]1c2ccccc2CCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000581312604 430197994 /nfs/dbraw/zinc/19/79/94/430197994.db2.gz YGNYTBQNJQNEEF-RTBURBONSA-N 1 3 323.440 2.551 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCn1ccc(C(F)(F)F)n1 ZINC000635014432 430198305 /nfs/dbraw/zinc/19/83/05/430198305.db2.gz ULIDUUHKGRVHTI-OLZOCXBDSA-N 1 3 318.387 2.802 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](N)CCC(C)C)c1 ZINC000638064641 430222988 /nfs/dbraw/zinc/22/29/88/430222988.db2.gz MOTVIXNIGKOIFV-SFHVURJKSA-N 1 3 319.493 2.908 20 0 DFADHO CN(C)CCOC1CC[NH+](CC(C)(C)Oc2ccccc2)CC1 ZINC000638061906 430224663 /nfs/dbraw/zinc/22/46/63/430224663.db2.gz NEUOWURJNVVYPI-UHFFFAOYSA-N 1 3 320.477 2.887 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638133943 430247614 /nfs/dbraw/zinc/24/76/14/430247614.db2.gz LTDZBZNCGSHYJO-MSOLQXFVSA-N 1 3 301.478 2.787 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638133943 430247616 /nfs/dbraw/zinc/24/76/16/430247616.db2.gz LTDZBZNCGSHYJO-MSOLQXFVSA-N 1 3 301.478 2.787 20 0 DFADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638133943 430247621 /nfs/dbraw/zinc/24/76/21/430247621.db2.gz LTDZBZNCGSHYJO-MSOLQXFVSA-N 1 3 301.478 2.787 20 0 DFADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638133943 430247624 /nfs/dbraw/zinc/24/76/24/430247624.db2.gz LTDZBZNCGSHYJO-MSOLQXFVSA-N 1 3 301.478 2.787 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCN(c4ccccc4)C3)CC[C@H]21 ZINC000638176455 430261284 /nfs/dbraw/zinc/26/12/84/430261284.db2.gz DTKQPCGIDTUCIA-NLWGTHIKSA-N 1 3 313.489 2.929 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)CC[C@H]21 ZINC000638176455 430261287 /nfs/dbraw/zinc/26/12/87/430261287.db2.gz DTKQPCGIDTUCIA-NLWGTHIKSA-N 1 3 313.489 2.929 20 0 DFADHO CSC1(CN[C@@H](C)c2cn3ccccc3n2)CC[NH+](C)CC1 ZINC000566475665 430264333 /nfs/dbraw/zinc/26/43/33/430264333.db2.gz NUARSBGAAUYAFS-AWEZNQCLSA-N 1 3 318.490 2.812 20 0 DFADHO [NH3+][C@H]1CCC[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000566480985 430265774 /nfs/dbraw/zinc/26/57/74/430265774.db2.gz DFJKWDIQZIMMFP-HKUYNNGSSA-N 1 3 317.477 2.573 20 0 DFADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)N1CCCC1 ZINC000566481870 430265861 /nfs/dbraw/zinc/26/58/61/430265861.db2.gz GXWBUSJBPBQJMJ-NUJGCVRESA-N 1 3 317.477 2.692 20 0 DFADHO C[NH+](C)CC1(C(=O)N2CCCN(C(C)(C)C)CC2)CCCCC1 ZINC000566655153 430269465 /nfs/dbraw/zinc/26/94/65/430269465.db2.gz MGJZUUAEBAOVPU-UHFFFAOYSA-N 1 3 323.525 2.831 20 0 DFADHO CN[C@@H](C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000582132213 430271243 /nfs/dbraw/zinc/27/12/43/430271243.db2.gz FATHLKIOBYKSKA-AWEZNQCLSA-N 1 3 303.450 2.998 20 0 DFADHO CN[C@@H](C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000582132213 430271247 /nfs/dbraw/zinc/27/12/47/430271247.db2.gz FATHLKIOBYKSKA-AWEZNQCLSA-N 1 3 303.450 2.998 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000567179972 430279846 /nfs/dbraw/zinc/27/98/46/430279846.db2.gz ZWHLHWXWPUMAFV-STQMWFEESA-N 1 3 310.825 2.513 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000567179972 430279849 /nfs/dbraw/zinc/27/98/49/430279849.db2.gz ZWHLHWXWPUMAFV-STQMWFEESA-N 1 3 310.825 2.513 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2c3ccccc3CC23CCOCC3)C1 ZINC000581618232 430227341 /nfs/dbraw/zinc/22/73/41/430227341.db2.gz VFDCECDFBCLRLA-RYRKJORJSA-N 1 3 300.446 2.940 20 0 DFADHO CCO[C@@H]1C[C@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666449 430230385 /nfs/dbraw/zinc/23/03/85/430230385.db2.gz DSUZNJZLPMYZRW-RCCFBDPRSA-N 1 3 300.446 2.951 20 0 DFADHO CCO[C@@H]1C[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666449 430230387 /nfs/dbraw/zinc/23/03/87/430230387.db2.gz DSUZNJZLPMYZRW-RCCFBDPRSA-N 1 3 300.446 2.951 20 0 DFADHO CCO[C@@H]1C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666446 430230534 /nfs/dbraw/zinc/23/05/34/430230534.db2.gz DSUZNJZLPMYZRW-FGTMMUONSA-N 1 3 300.446 2.951 20 0 DFADHO CCO[C@@H]1C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666446 430230539 /nfs/dbraw/zinc/23/05/39/430230539.db2.gz DSUZNJZLPMYZRW-FGTMMUONSA-N 1 3 300.446 2.951 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000638086988 430233322 /nfs/dbraw/zinc/23/33/22/430233322.db2.gz YSSJKXVBCQOBKO-KSZLIROESA-N 1 3 323.525 2.863 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000638086988 430233324 /nfs/dbraw/zinc/23/33/24/430233324.db2.gz YSSJKXVBCQOBKO-KSZLIROESA-N 1 3 323.525 2.863 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC000635253565 430239503 /nfs/dbraw/zinc/23/95/03/430239503.db2.gz JSVCKDXEPYCSOP-UHFFFAOYSA-N 1 3 303.450 2.809 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CS1 ZINC000638274428 430291396 /nfs/dbraw/zinc/29/13/96/430291396.db2.gz OLECZUIDNIZLPG-PBHICJAKSA-N 1 3 320.502 2.627 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000582369545 430293427 /nfs/dbraw/zinc/29/34/27/430293427.db2.gz OQKIQPDVJOGDAF-IYBDPMFKSA-N 1 3 321.509 2.582 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000582414442 430297676 /nfs/dbraw/zinc/29/76/76/430297676.db2.gz OFROCXQDYWWFHI-SJORKVTESA-N 1 3 302.466 2.822 20 0 DFADHO CC[NH+](CC)Cc1ccc(CNC[C@@H](OC)[C@H]2CCOC2)cc1 ZINC000638306279 430298859 /nfs/dbraw/zinc/29/88/59/430298859.db2.gz BLTTZLXRMLWKPO-RBUKOAKNSA-N 1 3 320.477 2.670 20 0 DFADHO c1[nH]c2ncncc2c1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000638307406 430300505 /nfs/dbraw/zinc/30/05/05/430300505.db2.gz DOOFDPMXUGCUSQ-UHFFFAOYSA-N 1 3 321.428 2.795 20 0 DFADHO CC(C)(O)C[NH+]1CCC(N[C@H](c2ccccc2)C2CC2)CC1 ZINC000638320441 430303793 /nfs/dbraw/zinc/30/37/93/430303793.db2.gz MCAGCCNDROVXEL-GOSISDBHSA-N 1 3 302.462 2.963 20 0 DFADHO CCn1cc(C2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)cn1 ZINC000568050159 430309074 /nfs/dbraw/zinc/30/90/74/430309074.db2.gz OOLGEKYJNCAIPA-UHFFFAOYSA-N 1 3 324.472 2.928 20 0 DFADHO C[C@H](C[NH2+]C[C@@H]1CCN(c2ccccc2)C1)CN1CCCC1 ZINC000638386779 430325777 /nfs/dbraw/zinc/32/57/77/430325777.db2.gz OZBVCAJECILZOI-MSOLQXFVSA-N 1 3 301.478 2.834 20 0 DFADHO COc1cc2c(cc1CNCCC[C@H]1CCC[NH2+]1)O[C@@H](C)C2 ZINC000582713714 430326778 /nfs/dbraw/zinc/32/67/78/430326778.db2.gz NYEXPORBVRTDBJ-BBRMVZONSA-N 1 3 304.434 2.640 20 0 DFADHO C[C@H](CO)[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638411612 430332964 /nfs/dbraw/zinc/33/29/64/430332964.db2.gz CSNHNOLLYNMCJV-VQIMIIECSA-N 1 3 304.478 2.895 20 0 DFADHO C[C@H](CO)NC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638411612 430332966 /nfs/dbraw/zinc/33/29/66/430332966.db2.gz CSNHNOLLYNMCJV-VQIMIIECSA-N 1 3 304.478 2.895 20 0 DFADHO C[C@H](CO)NC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638411612 430332970 /nfs/dbraw/zinc/33/29/70/430332970.db2.gz CSNHNOLLYNMCJV-VQIMIIECSA-N 1 3 304.478 2.895 20 0 DFADHO CN(CC(=O)NC1CC[NH+](C2CCCCC2)CC1)CC(C)(C)C ZINC000635641172 430333642 /nfs/dbraw/zinc/33/36/42/430333642.db2.gz RJOIAYLNCXUATM-UHFFFAOYSA-N 1 3 323.525 2.878 20 0 DFADHO CN(C)C1CC([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000568240094 430337994 /nfs/dbraw/zinc/33/79/94/430337994.db2.gz XNFRCBGUBZGWBW-VIQWUECVSA-N 1 3 313.489 2.866 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000568255728 430340341 /nfs/dbraw/zinc/34/03/41/430340341.db2.gz YSOKHDTWKGDCEV-GOOCMWNKSA-N 1 3 319.424 2.678 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000568255728 430340342 /nfs/dbraw/zinc/34/03/42/430340342.db2.gz YSOKHDTWKGDCEV-GOOCMWNKSA-N 1 3 319.424 2.678 20 0 DFADHO CC(C)C[C@H](CN(C)C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000546015800 430341948 /nfs/dbraw/zinc/34/19/48/430341948.db2.gz WUMZCIVHFLOLCJ-MRXNPFEDSA-N 1 3 311.514 2.734 20 0 DFADHO CC(C)C[C@H](CN(C)C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546015800 430341952 /nfs/dbraw/zinc/34/19/52/430341952.db2.gz WUMZCIVHFLOLCJ-MRXNPFEDSA-N 1 3 311.514 2.734 20 0 DFADHO CC[C@H]1CCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568412378 430356890 /nfs/dbraw/zinc/35/68/90/430356890.db2.gz SJOLVOVTXRUINI-KRWDZBQOSA-N 1 3 321.509 2.584 20 0 DFADHO CO[C@](C)(C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000638521277 430366193 /nfs/dbraw/zinc/36/61/93/430366193.db2.gz FBPUQDMFUZGSMM-AZUAARDMSA-N 1 3 316.489 2.956 20 0 DFADHO c1ccc(CCN2CC[C@@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000638522093 430367692 /nfs/dbraw/zinc/36/76/92/430367692.db2.gz XAVLUODCPKGBTJ-OALUTQOASA-N 1 3 302.462 2.710 20 0 DFADHO C[C@H](NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568618657 430376131 /nfs/dbraw/zinc/37/61/31/430376131.db2.gz OKXBVZGTCJJOBA-ARFHVFGLSA-N 1 3 307.507 2.863 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000583257116 430377831 /nfs/dbraw/zinc/37/78/31/430377831.db2.gz HBNDEKZUQUTRNM-HPFXQQBRSA-N 1 3 320.481 2.541 20 0 DFADHO COc1cc(C[C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)ccn1 ZINC000638566376 430377915 /nfs/dbraw/zinc/37/79/15/430377915.db2.gz HCNIYSGIOYGDLP-WBVHZDCISA-N 1 3 305.466 2.731 20 0 DFADHO COc1cc(C[C@@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccn1 ZINC000638566376 430377920 /nfs/dbraw/zinc/37/79/20/430377920.db2.gz HCNIYSGIOYGDLP-WBVHZDCISA-N 1 3 305.466 2.731 20 0 DFADHO COc1cc(C[C@@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)ccn1 ZINC000638566376 430377922 /nfs/dbraw/zinc/37/79/22/430377922.db2.gz HCNIYSGIOYGDLP-WBVHZDCISA-N 1 3 305.466 2.731 20 0 DFADHO CO[C@H](CNCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@@H]1CCOC1 ZINC000638602842 430387190 /nfs/dbraw/zinc/38/71/90/430387190.db2.gz WTGPMFPHMGOYNP-CGTJXYLNSA-N 1 3 320.477 2.757 20 0 DFADHO Cc1ccccc1O[C@@H](C)CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638691630 430411143 /nfs/dbraw/zinc/41/11/43/430411143.db2.gz ZXZCOVXMSPCMHO-INIZCTEOSA-N 1 3 320.477 2.587 20 0 DFADHO C[C@@H](O)C[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638796839 430436467 /nfs/dbraw/zinc/43/64/67/430436467.db2.gz MSNOCJZTECTOEX-APWZRJJASA-N 1 3 304.478 2.895 20 0 DFADHO C[C@@H](O)CNC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638796839 430436472 /nfs/dbraw/zinc/43/64/72/430436472.db2.gz MSNOCJZTECTOEX-APWZRJJASA-N 1 3 304.478 2.895 20 0 DFADHO C[C@@H](O)CNC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638796839 430436476 /nfs/dbraw/zinc/43/64/76/430436476.db2.gz MSNOCJZTECTOEX-APWZRJJASA-N 1 3 304.478 2.895 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)CCN1C ZINC000548060384 430444770 /nfs/dbraw/zinc/44/47/70/430444770.db2.gz WGHYGWIDVNSQDB-WBVHZDCISA-N 1 3 309.498 2.582 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CCN1C ZINC000548060384 430444773 /nfs/dbraw/zinc/44/47/73/430444773.db2.gz WGHYGWIDVNSQDB-WBVHZDCISA-N 1 3 309.498 2.582 20 0 DFADHO OCc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cc1 ZINC000638836521 430449436 /nfs/dbraw/zinc/44/94/36/430449436.db2.gz HIVXFKAIJQSXNR-UHFFFAOYSA-N 1 3 311.429 2.580 20 0 DFADHO CO[C@@](C)(C[NH2+]CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000638836596 430450377 /nfs/dbraw/zinc/45/03/77/430450377.db2.gz JAVAJRAFSGOGLS-SFHVURJKSA-N 1 3 303.450 2.703 20 0 DFADHO Nc1cnccc1C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000641713168 430450708 /nfs/dbraw/zinc/45/07/08/430450708.db2.gz QBXKZNQFMVAHKK-QGZVFWFLSA-N 1 3 310.445 2.666 20 0 DFADHO CC[C@@H](C)[C@@H](C[NH2+]CC1CCN(c2ccncc2)CC1)OC ZINC000638836338 430450729 /nfs/dbraw/zinc/45/07/29/430450729.db2.gz FHKNTAQOJFKLLQ-CRAIPNDOSA-N 1 3 305.466 2.949 20 0 DFADHO C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852287 430455439 /nfs/dbraw/zinc/45/54/39/430455439.db2.gz XBYUYBQOTOSBHD-SJLPKXTDSA-N 1 3 317.477 2.675 20 0 DFADHO CC1([NH+]2CCCC2)CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000638859143 430457959 /nfs/dbraw/zinc/45/79/59/430457959.db2.gz ITFLICBKJWYNBD-QGZVFWFLSA-N 1 3 315.461 2.553 20 0 DFADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOc1ccccc1Br ZINC000641802489 430476979 /nfs/dbraw/zinc/47/69/79/430476979.db2.gz LUFSADYWECOHGI-OLZOCXBDSA-N 1 3 313.239 2.543 20 0 DFADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000569680111 430477476 /nfs/dbraw/zinc/47/74/76/430477476.db2.gz XWERFESBYZJTKJ-WMZOPIPTSA-N 1 3 317.477 2.892 20 0 DFADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000569680111 430477477 /nfs/dbraw/zinc/47/74/77/430477477.db2.gz XWERFESBYZJTKJ-WMZOPIPTSA-N 1 3 317.477 2.892 20 0 DFADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000641806406 430478742 /nfs/dbraw/zinc/47/87/42/430478742.db2.gz RRIACEAYZCWLFB-CHWSQXEVSA-N 1 3 313.239 2.543 20 0 DFADHO OCCCN(Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583698229 430420907 /nfs/dbraw/zinc/42/09/07/430420907.db2.gz RBBLNGUUBQNLHR-UHFFFAOYSA-N 1 3 310.441 2.717 20 0 DFADHO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@H](C)N1CCCCCC1 ZINC000547798650 430423542 /nfs/dbraw/zinc/42/35/42/430423542.db2.gz NVLNEGHLWSEEKW-DLBZAZTESA-N 1 3 309.498 2.584 20 0 DFADHO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H](C)N1CCCCCC1 ZINC000547798650 430423543 /nfs/dbraw/zinc/42/35/43/430423543.db2.gz NVLNEGHLWSEEKW-DLBZAZTESA-N 1 3 309.498 2.584 20 0 DFADHO CCCc1nc(C)c(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)o1 ZINC000641821562 430482545 /nfs/dbraw/zinc/48/25/45/430482545.db2.gz LOXSYYXQUPEYRU-OAGGEKHMSA-N 1 3 321.465 2.796 20 0 DFADHO CCCc1nc(C)c(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)o1 ZINC000641821561 430483225 /nfs/dbraw/zinc/48/32/25/430483225.db2.gz LOXSYYXQUPEYRU-BZUAXINKSA-N 1 3 321.465 2.796 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000638975294 430486973 /nfs/dbraw/zinc/48/69/73/430486973.db2.gz JESNXUXTTLZLIC-WBVHZDCISA-N 1 3 317.477 2.655 20 0 DFADHO C[C@@H]1CCN(CC[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000569832404 430489634 /nfs/dbraw/zinc/48/96/34/430489634.db2.gz YAGKELRFMASNDV-NZSAHSFTSA-N 1 3 301.478 2.753 20 0 DFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)c1 ZINC000639024536 430495687 /nfs/dbraw/zinc/49/56/87/430495687.db2.gz PVLSGMHXCVRQRR-MRXNPFEDSA-N 1 3 323.440 2.526 20 0 DFADHO C[C@@H]1CCCc2ccccc2[C@@H]1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000570202043 430522213 /nfs/dbraw/zinc/52/22/13/430522213.db2.gz AZCXCNRBYFYLRA-DKSSEZFCSA-N 1 3 302.462 2.745 20 0 DFADHO C[C@@H]1CCCc2ccccc2[C@@H]1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000570202043 430522216 /nfs/dbraw/zinc/52/22/16/430522216.db2.gz AZCXCNRBYFYLRA-DKSSEZFCSA-N 1 3 302.462 2.745 20 0 DFADHO CC(C)(O)C[NH+]1CCC(NC[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000639100465 430523996 /nfs/dbraw/zinc/52/39/96/430523996.db2.gz WOWRDJKURGCYIQ-KRWDZBQOSA-N 1 3 324.509 2.693 20 0 DFADHO COc1cccc(OC)c1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639176856 430556580 /nfs/dbraw/zinc/55/65/80/430556580.db2.gz LWBUZMKRWJEAGR-INIZCTEOSA-N 1 3 318.461 2.868 20 0 DFADHO CN1CCCC[C@H]1CC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000551526133 430556570 /nfs/dbraw/zinc/55/65/70/430556570.db2.gz DGASFYQZFKZJBT-KRWDZBQOSA-N 1 3 302.466 2.832 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639178949 430559167 /nfs/dbraw/zinc/55/91/67/430559167.db2.gz PVAUKOLACXXNGK-QWFCFKBJSA-N 1 3 313.489 2.929 20 0 DFADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639178949 430559168 /nfs/dbraw/zinc/55/91/68/430559168.db2.gz PVAUKOLACXXNGK-QWFCFKBJSA-N 1 3 313.489 2.929 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]2CN(C)CC[C@H]21 ZINC000639180274 430559348 /nfs/dbraw/zinc/55/93/48/430559348.db2.gz WDOONZKUVDOURU-IPMKNSEASA-N 1 3 302.462 2.660 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]2CN(C)CC[C@H]21 ZINC000639180274 430559350 /nfs/dbraw/zinc/55/93/50/430559350.db2.gz WDOONZKUVDOURU-IPMKNSEASA-N 1 3 302.462 2.660 20 0 DFADHO C[C@H](NCc1ccncc1OCCC[NH+](C)C)[C@H]1CC1(F)F ZINC000639185144 430562096 /nfs/dbraw/zinc/56/20/96/430562096.db2.gz HGQIBVFLONKPQS-GXTWGEPZSA-N 1 3 313.392 2.545 20 0 DFADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1cccc2c1CCNC2 ZINC000570675164 430566592 /nfs/dbraw/zinc/56/65/92/430566592.db2.gz RZDHYRVDQGRFDK-HOTGVXAUSA-N 1 3 301.434 2.569 20 0 DFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000551894989 430568417 /nfs/dbraw/zinc/56/84/17/430568417.db2.gz VYLVZEWCHAPTTL-IEBWSBKVSA-N 1 3 317.477 2.528 20 0 DFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000551894989 430568421 /nfs/dbraw/zinc/56/84/21/430568421.db2.gz VYLVZEWCHAPTTL-IEBWSBKVSA-N 1 3 317.477 2.528 20 0 DFADHO O=C(CC[NH2+]C1CC(N2CCCCC2)C1)Nc1ccccc1 ZINC000570836274 430582114 /nfs/dbraw/zinc/58/21/14/430582114.db2.gz DPKCPCGYPFULGT-UHFFFAOYSA-N 1 3 301.434 2.622 20 0 DFADHO CN(C)CCOc1cccc(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000552070764 430582463 /nfs/dbraw/zinc/58/24/63/430582463.db2.gz CXRHKIMVMABYNK-GUDVDZBRSA-N 1 3 317.477 2.912 20 0 DFADHO CN(C)CCOc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000552070764 430582468 /nfs/dbraw/zinc/58/24/68/430582468.db2.gz CXRHKIMVMABYNK-GUDVDZBRSA-N 1 3 317.477 2.912 20 0 DFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000570867469 430584960 /nfs/dbraw/zinc/58/49/60/430584960.db2.gz KBNCQNKLYADNBU-AWEZNQCLSA-N 1 3 316.449 2.532 20 0 DFADHO C[C@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccncc1Cl ZINC000643346176 430588293 /nfs/dbraw/zinc/58/82/93/430588293.db2.gz GTIWAWFKASKGQK-UONOGXRCSA-N 1 3 322.884 2.554 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000552247702 430592792 /nfs/dbraw/zinc/59/27/92/430592792.db2.gz XVRJBYHZGBUBGE-QEEHTWDDSA-N 1 3 313.489 2.900 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000552247702 430592796 /nfs/dbraw/zinc/59/27/96/430592796.db2.gz XVRJBYHZGBUBGE-QEEHTWDDSA-N 1 3 313.489 2.900 20 0 DFADHO CN1CCCN(CCC[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000643369260 430593740 /nfs/dbraw/zinc/59/37/40/430593740.db2.gz VTYPDQLHBHJHHW-UHFFFAOYSA-N 1 3 301.478 2.681 20 0 DFADHO Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H](N)C3)cc2)n1 ZINC000570984960 430594511 /nfs/dbraw/zinc/59/45/11/430594511.db2.gz ADDMSNYRQJAIID-QZTJIDSGSA-N 1 3 312.461 2.891 20 0 DFADHO Cc1cc(C)n(-c2ccc(CCN[C@@H]3CCC[C@@H]([NH3+])C3)cc2)n1 ZINC000570984960 430594514 /nfs/dbraw/zinc/59/45/14/430594514.db2.gz ADDMSNYRQJAIID-QZTJIDSGSA-N 1 3 312.461 2.891 20 0 DFADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H]2COc3ccccc3C2)C1 ZINC000550700403 430544834 /nfs/dbraw/zinc/54/48/34/430544834.db2.gz HVOUHJSGSMMBNQ-FUHWJXTLSA-N 1 3 302.462 2.948 20 0 DFADHO C[C@H](C(=O)Nc1ccccc1CN(C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000554727475 430651773 /nfs/dbraw/zinc/65/17/73/430651773.db2.gz DAZFLODWGIGSRG-RBSFLKMASA-N 1 3 303.450 2.948 20 0 DFADHO Cc1ccc(CNC[C@H]2CCC[N@H+](C)C2)c(-c2ccnn2C)c1 ZINC000554919314 430655732 /nfs/dbraw/zinc/65/57/32/430655732.db2.gz UKPTWVZJLOPAMD-MRXNPFEDSA-N 1 3 312.461 2.827 20 0 DFADHO Cc1ccc(CNC[C@H]2CCC[N@@H+](C)C2)c(-c2ccnn2C)c1 ZINC000554919314 430655733 /nfs/dbraw/zinc/65/57/33/430655733.db2.gz UKPTWVZJLOPAMD-MRXNPFEDSA-N 1 3 312.461 2.827 20 0 DFADHO C[C@H](NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643454231 430602839 /nfs/dbraw/zinc/60/28/39/430602839.db2.gz OEQNMJLBAWHCNZ-QXAKKESOSA-N 1 3 301.478 2.801 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457545 430603565 /nfs/dbraw/zinc/60/35/65/430603565.db2.gz KXABGFSRFZEBLP-KNXALSJPSA-N 1 3 321.852 2.706 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462705 430604561 /nfs/dbraw/zinc/60/45/61/430604561.db2.gz BLEDJBFXAOOBEP-XNRPHZJLSA-N 1 3 309.404 2.521 20 0 DFADHO FC(F)(F)[C@@H]1CC([NH2+][C@@H]2CCNC2)C[C@@H](C(F)(F)F)C1 ZINC000643458704 430604779 /nfs/dbraw/zinc/60/47/79/430604779.db2.gz RRNWXOURPJGJEA-XHNCKOQMSA-N 1 3 304.278 2.847 20 0 DFADHO CCOC1CC(C[NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000639311946 430606715 /nfs/dbraw/zinc/60/67/15/430606715.db2.gz RGMXIVCBJNUQLR-UHFFFAOYSA-N 1 3 317.477 2.698 20 0 DFADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc2[nH]c(=O)oc2c1 ZINC000643523813 430612542 /nfs/dbraw/zinc/61/25/42/430612542.db2.gz VJOQLCYPWKPTOM-NSHDSACASA-N 1 3 309.369 2.987 20 0 DFADHO c1c2c(nn1-c1ccccc1)CCC[C@H]2N[C@@H]1CC12CC[NH2+]CC2 ZINC000643536664 430614809 /nfs/dbraw/zinc/61/48/09/430614809.db2.gz UJKAUXKJCDRVLY-IEBWSBKVSA-N 1 3 322.456 2.981 20 0 DFADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1ccc(-n2cncn2)cc1 ZINC000643545890 430616166 /nfs/dbraw/zinc/61/61/66/430616166.db2.gz DXIJZQMCKNFYGS-HOCLYGCPSA-N 1 3 311.433 2.593 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546850 430616225 /nfs/dbraw/zinc/61/62/25/430616225.db2.gz VWHSGNCDPRQBMS-NVXWUHKLSA-N 1 3 315.461 2.976 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)c1 ZINC000643546850 430616228 /nfs/dbraw/zinc/61/62/28/430616228.db2.gz VWHSGNCDPRQBMS-NVXWUHKLSA-N 1 3 315.461 2.976 20 0 DFADHO Cc1cnn([C@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)c1 ZINC000571411108 430626342 /nfs/dbraw/zinc/62/63/42/430626342.db2.gz RTJZGJQSGBPYTG-IBGZPJMESA-N 1 3 310.445 2.674 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)CNCC1(C[NH+](C)C)CCCC1 ZINC000571517056 430632835 /nfs/dbraw/zinc/63/28/35/430632835.db2.gz BBTRERRUUPLKSW-AEFFLSMTSA-N 1 3 304.478 2.863 20 0 DFADHO O[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC/C=C\c2ccc(Cl)cc2)C1 ZINC000643960277 430644311 /nfs/dbraw/zinc/64/43/11/430644311.db2.gz QWHHHPLXGLJRHX-FRTIVUNVSA-N 1 3 320.864 2.931 20 0 DFADHO O[C@H]1CC[N@H+]([C@H]2CCC[C@H]2NC/C=C\c2ccc(Cl)cc2)C1 ZINC000643960277 430644313 /nfs/dbraw/zinc/64/43/13/430644313.db2.gz QWHHHPLXGLJRHX-FRTIVUNVSA-N 1 3 320.864 2.931 20 0 DFADHO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)[C@@H]1CCCNC1 ZINC000572111564 430671898 /nfs/dbraw/zinc/67/18/98/430671898.db2.gz DPBJGGJGRJACFD-JQHSSLGASA-N 1 3 304.478 2.766 20 0 DFADHO C[C@H](NC[C@@H](c1ccccc1)C(C)(C)CO)[C@@H]1CCC[NH2+]C1 ZINC000572111564 430671901 /nfs/dbraw/zinc/67/19/01/430671901.db2.gz DPBJGGJGRJACFD-JQHSSLGASA-N 1 3 304.478 2.766 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000572392069 430685671 /nfs/dbraw/zinc/68/56/71/430685671.db2.gz HKGAZYYLNKCIIJ-IKGGRYGDSA-N 1 3 323.525 2.911 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000261584738 278219533 /nfs/dbraw/zinc/21/95/33/278219533.db2.gz SOOWNLMSKUIZPI-LALPHHSUSA-N 1 3 311.267 2.968 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000261584738 278219536 /nfs/dbraw/zinc/21/95/36/278219536.db2.gz SOOWNLMSKUIZPI-LALPHHSUSA-N 1 3 311.267 2.968 20 0 DFADHO CC(C)(C[NH2+][C@H]1CCC[C@@H](N)C1)c1ccc2c(c1)OCCO2 ZINC000572662480 430694469 /nfs/dbraw/zinc/69/44/69/430694469.db2.gz NSMAZHVIQNZDRL-CABCVRRESA-N 1 3 304.434 2.595 20 0 DFADHO CC(C)(CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000572662480 430694470 /nfs/dbraw/zinc/69/44/70/430694470.db2.gz NSMAZHVIQNZDRL-CABCVRRESA-N 1 3 304.434 2.595 20 0 DFADHO CC(C)(C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H](N)c1ccccc1 ZINC000648187452 430704254 /nfs/dbraw/zinc/70/42/54/430704254.db2.gz QJDVIOGTIUFJDZ-JKSUJKDBSA-N 1 3 315.461 2.504 20 0 DFADHO CC(C)CCn1cccc1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751881 430726215 /nfs/dbraw/zinc/72/62/15/430726215.db2.gz VEIQNKRJBFPVJR-IBGZPJMESA-N 1 3 319.493 2.877 20 0 DFADHO CC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccsc1 ZINC000651228315 430744524 /nfs/dbraw/zinc/74/45/24/430744524.db2.gz OYYZQPSQNVTSLD-WBVHZDCISA-N 1 3 307.507 2.957 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](C)C(C)(C)C(F)F)CC1 ZINC000657833700 430747634 /nfs/dbraw/zinc/74/76/34/430747634.db2.gz BRWOHAXWZFDIJD-CQSZACIVSA-N 1 3 305.457 2.674 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657832303 430748159 /nfs/dbraw/zinc/74/81/59/430748159.db2.gz BZQITJMGCQITQP-HNNXBMFYSA-N 1 3 316.449 2.506 20 0 DFADHO CC[C@@H](C[NH+]1CCCC1)NCCC(=O)Nc1cccc(F)c1 ZINC000644569546 430756585 /nfs/dbraw/zinc/75/65/85/430756585.db2.gz XECBSPGNSMNFJR-HNNXBMFYSA-N 1 3 307.413 2.618 20 0 DFADHO CC(C)[NH+]1CCC(O)(CN[C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657907249 430764723 /nfs/dbraw/zinc/76/47/23/430764723.db2.gz HNXYHSFVGSAAQI-AWEZNQCLSA-N 1 3 317.433 2.714 20 0 DFADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1cc2cnccc2o1 ZINC000658106240 430813523 /nfs/dbraw/zinc/81/35/23/430813523.db2.gz GRXCSCFJNXRMTG-LSDHHAIUSA-N 1 3 318.465 2.750 20 0 DFADHO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658135962 430821473 /nfs/dbraw/zinc/82/14/73/430821473.db2.gz FXTBNZGOGBGGMH-KXBFYZLASA-N 1 3 302.462 2.922 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)C1 ZINC000658137153 430824183 /nfs/dbraw/zinc/82/41/83/430824183.db2.gz JBPZBOJLFPTPRG-WJFTUGDTSA-N 1 3 300.446 2.531 20 0 DFADHO Cc1ccc(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000665117686 430827075 /nfs/dbraw/zinc/82/70/75/430827075.db2.gz DWRKTGKMBMOMCA-INIZCTEOSA-N 1 3 320.481 2.697 20 0 DFADHO Cc1ccc(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000665117686 430827080 /nfs/dbraw/zinc/82/70/80/430827080.db2.gz DWRKTGKMBMOMCA-INIZCTEOSA-N 1 3 320.481 2.697 20 0 DFADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCOC1 ZINC000658167293 430833622 /nfs/dbraw/zinc/83/36/22/430833622.db2.gz RKIBHPIWQWNYJW-QFBILLFUSA-N 1 3 317.477 2.698 20 0 DFADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CCCSCC1 ZINC000658014486 430787806 /nfs/dbraw/zinc/78/78/06/430787806.db2.gz VOGWYTYBUYAYBV-INIZCTEOSA-N 1 3 323.506 2.787 20 0 DFADHO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc(OCCN(C)C)c1 ZINC000658058026 430795784 /nfs/dbraw/zinc/79/57/84/430795784.db2.gz LCZZZWBLBFJWAJ-GDBMZVCRSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(OCCN(C)C)cc1 ZINC000658057937 430796650 /nfs/dbraw/zinc/79/66/50/430796650.db2.gz KDRGQWZZYBEFHA-HOCLYGCPSA-N 1 3 306.450 2.845 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648496094 430807487 /nfs/dbraw/zinc/80/74/87/430807487.db2.gz MABPBCUMRSYWRX-FQEVSTJZSA-N 1 3 315.505 2.551 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCc2cccc(COC[C@H]3CCCO3)c2)C1 ZINC000665294636 430888834 /nfs/dbraw/zinc/88/88/34/430888834.db2.gz SLKJKLVWIYTXOX-CEXWTWQISA-N 1 3 318.461 2.742 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCc2cccc(COC[C@@H]3CCCO3)c2)C1 ZINC000665294639 430889029 /nfs/dbraw/zinc/88/90/29/430889029.db2.gz SLKJKLVWIYTXOX-QYZOEREBSA-N 1 3 318.461 2.742 20 0 DFADHO COC[C@@H](CC(C)(C)C)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000651719627 430858082 /nfs/dbraw/zinc/85/80/82/430858082.db2.gz ZSHFLBADLLWJBA-DOTOQJQBSA-N 1 3 312.498 2.528 20 0 DFADHO Nc1cccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665232197 430861928 /nfs/dbraw/zinc/86/19/28/430861928.db2.gz HUQXLUZGQUDGBF-MJGOQNOKSA-N 1 3 309.413 2.614 20 0 DFADHO CC(C)(C)N1CC[C@H]([NH2+][C@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000665236594 430863505 /nfs/dbraw/zinc/86/35/05/430863505.db2.gz QJONQZHZQNLTNK-BZSNNMDCSA-N 1 3 301.478 2.942 20 0 DFADHO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)C1 ZINC000665236595 430864130 /nfs/dbraw/zinc/86/41/30/430864130.db2.gz QJONQZHZQNLTNK-FGTMMUONSA-N 1 3 301.478 2.942 20 0 DFADHO Cc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000665245237 430865974 /nfs/dbraw/zinc/86/59/74/430865974.db2.gz CILPUGDWXKJZLD-IPMKNSEASA-N 1 3 302.462 2.593 20 0 DFADHO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@H]1CCCOC1 ZINC000665254175 430871361 /nfs/dbraw/zinc/87/13/61/430871361.db2.gz JFYWGFUYEMOLGC-OXXUSNJHSA-N 1 3 306.425 2.676 20 0 DFADHO COCc1csc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000665263644 430875734 /nfs/dbraw/zinc/87/57/34/430875734.db2.gz QWCCPTNXYUANLN-NSHDSACASA-N 1 3 305.447 2.907 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@H]2CCN2Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000658349383 430883228 /nfs/dbraw/zinc/88/32/28/430883228.db2.gz SVZPXQYWQNXAJT-MUGJNUQGSA-N 1 3 313.489 2.723 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@H]2CCN2Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000658349383 430883230 /nfs/dbraw/zinc/88/32/30/430883230.db2.gz SVZPXQYWQNXAJT-MUGJNUQGSA-N 1 3 313.489 2.723 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294194 430888763 /nfs/dbraw/zinc/88/87/63/430888763.db2.gz JYVBQVLMEGZQBC-DAYGRLMNSA-N 1 3 306.450 2.598 20 0 DFADHO CCc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000665175450 430844228 /nfs/dbraw/zinc/84/42/28/430844228.db2.gz FILGIXYESSDNRB-HNNXBMFYSA-N 1 3 320.481 2.643 20 0 DFADHO CCc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000665175450 430844233 /nfs/dbraw/zinc/84/42/33/430844233.db2.gz FILGIXYESSDNRB-HNNXBMFYSA-N 1 3 320.481 2.643 20 0 DFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000648907502 430931871 /nfs/dbraw/zinc/93/18/71/430931871.db2.gz BEFOLZSYAFWRKP-WMZOPIPTSA-N 1 3 321.509 2.773 20 0 DFADHO C[C@@H]1[C@H](C(=O)N(CCN2CCCCCC2)C2CCC2)CC[N@@H+]1C ZINC000648904764 430932431 /nfs/dbraw/zinc/93/24/31/430932431.db2.gz QWHMDOAGWPIWIP-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H]1[C@H](C(=O)N(CCN2CCCCCC2)C2CCC2)CC[N@H+]1C ZINC000648904764 430932434 /nfs/dbraw/zinc/93/24/34/430932434.db2.gz QWHMDOAGWPIWIP-SJLPKXTDSA-N 1 3 321.509 2.584 20 0 DFADHO Cn1nc(CNCCCCC[NH+]2CCCC2)c2ccccc21 ZINC000645199557 430933778 /nfs/dbraw/zinc/93/37/78/430933778.db2.gz QBHUGOILJKNMIN-UHFFFAOYSA-N 1 3 300.450 2.929 20 0 DFADHO OC[C@H](CCF)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000652020147 430938338 /nfs/dbraw/zinc/93/83/38/430938338.db2.gz MJNZOLLHVRDHGX-CADBVGFASA-N 1 3 320.452 2.597 20 0 DFADHO OC[C@H](CCF)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000652020147 430938343 /nfs/dbraw/zinc/93/83/43/430938343.db2.gz MJNZOLLHVRDHGX-CADBVGFASA-N 1 3 320.452 2.597 20 0 DFADHO OC[C@H](CCF)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000652020147 430938345 /nfs/dbraw/zinc/93/83/45/430938345.db2.gz MJNZOLLHVRDHGX-CADBVGFASA-N 1 3 320.452 2.597 20 0 DFADHO CC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652201150 430985309 /nfs/dbraw/zinc/98/53/09/430985309.db2.gz XCCVYNPRVQBFLH-DZGCQCFKSA-N 1 3 324.465 2.951 20 0 DFADHO CCO[C@H]1C[C@H](NCCC[N@H+](C)CC(C)C)C12CCOCC2 ZINC000652221906 430991500 /nfs/dbraw/zinc/99/15/00/430991500.db2.gz ACBWZBBADXIMHX-IRXDYDNUSA-N 1 3 312.498 2.528 20 0 DFADHO CCO[C@H]1C[C@H](NCCC[N@@H+](C)CC(C)C)C12CCOCC2 ZINC000652221906 430991503 /nfs/dbraw/zinc/99/15/03/430991503.db2.gz ACBWZBBADXIMHX-IRXDYDNUSA-N 1 3 312.498 2.528 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCCC34CCCC4)C2)CC1 ZINC000645408965 430994444 /nfs/dbraw/zinc/99/44/44/430994444.db2.gz MDGBTQPZLZLJJK-WMZOPIPTSA-N 1 3 305.510 2.857 20 0 DFADHO CCN1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)C[C@H]1C ZINC000665708723 431010511 /nfs/dbraw/zinc/01/05/11/431010511.db2.gz IDGDJBGWJZAPTQ-CYBMUJFWSA-N 1 3 315.417 2.782 20 0 DFADHO c1ccc(C(NC[C@@H]2CCC3(C[NH2+]C3)O2)c2ccccc2)cc1 ZINC000662258571 431020372 /nfs/dbraw/zinc/02/03/72/431020372.db2.gz KKIWEKZGHSFAJG-SFHVURJKSA-N 1 3 308.425 2.887 20 0 DFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3ccc4c(c3)CNC4)cc21 ZINC000659313066 431021883 /nfs/dbraw/zinc/02/18/83/431021883.db2.gz LUWGLWYBTCBMRA-HNNXBMFYSA-N 1 3 321.424 2.921 20 0 DFADHO COc1ccc([C@@H](CN)C[NH+]2CCC3(CC3(F)F)CC2)cc1 ZINC000652353238 431029335 /nfs/dbraw/zinc/02/93/35/431029335.db2.gz WEVPAKHOOMXVHL-AWEZNQCLSA-N 1 3 310.388 2.859 20 0 DFADHO c1cc(C[NH+]2CCC(C3CCOCC3)CC2)c2c(c1)CNCC2 ZINC000662282588 431032189 /nfs/dbraw/zinc/03/21/89/431032189.db2.gz HOAAKZHGDAESME-UHFFFAOYSA-N 1 3 314.473 2.971 20 0 DFADHO FC(F)(F)[C@@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC12CCC2 ZINC000662280826 431033621 /nfs/dbraw/zinc/03/36/21/431033621.db2.gz GCHXACWCUHRCHL-CHWSQXEVSA-N 1 3 318.383 2.562 20 0 DFADHO COc1cccc(SCCN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000662283851 431033740 /nfs/dbraw/zinc/03/37/40/431033740.db2.gz CZACZYWBJGSCBL-YOEHRIQHSA-N 1 3 306.475 2.848 20 0 DFADHO COc1cccc(SCC[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000662283851 431033742 /nfs/dbraw/zinc/03/37/42/431033742.db2.gz CZACZYWBJGSCBL-YOEHRIQHSA-N 1 3 306.475 2.848 20 0 DFADHO COc1cccc(SCC[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000662283851 431033746 /nfs/dbraw/zinc/03/37/46/431033746.db2.gz CZACZYWBJGSCBL-YOEHRIQHSA-N 1 3 306.475 2.848 20 0 DFADHO Cc1cccc2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)cn21 ZINC000662292699 431036430 /nfs/dbraw/zinc/03/64/30/431036430.db2.gz HTEIRLVSKWDFNG-KRWDZBQOSA-N 1 3 312.461 2.854 20 0 DFADHO C[C@@H](C(=O)Nc1ccccc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295783 431037466 /nfs/dbraw/zinc/03/74/66/431037466.db2.gz UDSPATCBLKRBID-DOTOQJQBSA-N 1 3 315.461 2.725 20 0 DFADHO C[C@H](C(=O)Nc1ccccc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295784 431038996 /nfs/dbraw/zinc/03/89/96/431038996.db2.gz UDSPATCBLKRBID-NVXWUHKLSA-N 1 3 315.461 2.725 20 0 DFADHO C[NH+](C)CCC[C@H]1CN(C[C@H]2CCc3ccccc3C2)CCO1 ZINC000662325876 431046472 /nfs/dbraw/zinc/04/64/72/431046472.db2.gz RWYBDMRUTFLBCU-PXNSSMCTSA-N 1 3 316.489 2.834 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCNCC2(C)C)cc1 ZINC000649273388 431052627 /nfs/dbraw/zinc/05/26/27/431052627.db2.gz HMJUFZCBLQBQMO-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCNCC2(C)C)cc1 ZINC000649273388 431052631 /nfs/dbraw/zinc/05/26/31/431052631.db2.gz HMJUFZCBLQBQMO-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000649322173 431067484 /nfs/dbraw/zinc/06/74/84/431067484.db2.gz CUDYYGUAMSKDLN-OOHWJJMZSA-N 1 3 317.477 2.750 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000655444647 431013003 /nfs/dbraw/zinc/01/30/03/431013003.db2.gz LTSVFRKICXAZMC-PKOBYXMFSA-N 1 3 315.461 2.857 20 0 DFADHO COc1ccc2c(c1)CN(Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662252909 431015893 /nfs/dbraw/zinc/01/58/93/431015893.db2.gz DEUZCARARZQRMR-UHFFFAOYSA-N 1 3 308.425 2.899 20 0 DFADHO C[N@H+](CCCOc1cccc(Cl)c1)C[C@@H]1CCC2(CNC2)O1 ZINC000662252000 431016051 /nfs/dbraw/zinc/01/60/51/431016051.db2.gz HRCDNFCNAOUNPV-INIZCTEOSA-N 1 3 324.852 2.562 20 0 DFADHO C[N@@H+](CCCOc1cccc(Cl)c1)C[C@@H]1CCC2(CNC2)O1 ZINC000662252000 431016053 /nfs/dbraw/zinc/01/60/53/431016053.db2.gz HRCDNFCNAOUNPV-INIZCTEOSA-N 1 3 324.852 2.562 20 0 DFADHO Cc1ccc(C[C@@H]2CCC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256149 431016399 /nfs/dbraw/zinc/01/63/99/431016399.db2.gz HDZAXVIJGNBRJS-RBUKOAKNSA-N 1 3 314.473 2.771 20 0 DFADHO Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256149 431016402 /nfs/dbraw/zinc/01/64/02/431016402.db2.gz HDZAXVIJGNBRJS-RBUKOAKNSA-N 1 3 314.473 2.771 20 0 DFADHO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC3(CNC3)O2)C12CCCCC2 ZINC000662255723 431017192 /nfs/dbraw/zinc/01/71/92/431017192.db2.gz DPZQMHRLBWTBNX-YESZJQIVSA-N 1 3 322.493 2.567 20 0 DFADHO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC3(CNC3)O2)C12CCCCC2 ZINC000662255723 431017197 /nfs/dbraw/zinc/01/71/97/431017197.db2.gz DPZQMHRLBWTBNX-YESZJQIVSA-N 1 3 322.493 2.567 20 0 DFADHO CCC[N@H+](CCc1cccc(F)c1)C[C@@H]1CCC2(CNC2)O1 ZINC000662254382 431017322 /nfs/dbraw/zinc/01/73/22/431017322.db2.gz HULKHMZHDLAXKK-KRWDZBQOSA-N 1 3 306.425 2.601 20 0 DFADHO CCC[N@@H+](CCc1cccc(F)c1)C[C@@H]1CCC2(CNC2)O1 ZINC000662254382 431017324 /nfs/dbraw/zinc/01/73/24/431017324.db2.gz HULKHMZHDLAXKK-KRWDZBQOSA-N 1 3 306.425 2.601 20 0 DFADHO c1ccc(SC[C@@H]2CC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256350 431018288 /nfs/dbraw/zinc/01/82/88/431018288.db2.gz IMJLILDXSCJXNX-CVEARBPZSA-N 1 3 318.486 2.622 20 0 DFADHO c1ccc(SC[C@@H]2CC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256350 431018293 /nfs/dbraw/zinc/01/82/93/431018293.db2.gz IMJLILDXSCJXNX-CVEARBPZSA-N 1 3 318.486 2.622 20 0 DFADHO CCCCN(Cc1ccccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257401 431018976 /nfs/dbraw/zinc/01/89/76/431018976.db2.gz NTEZPIBYQGCSJC-MRXNPFEDSA-N 1 3 306.425 2.949 20 0 DFADHO Fc1ccc([C@H]([NH2+]C[C@H]2CCC3(CNC3)O2)C2CCC2)cc1 ZINC000662259492 431019236 /nfs/dbraw/zinc/01/92/36/431019236.db2.gz YFZBWILPGNUAGH-IAGOWNOFSA-N 1 3 304.409 2.778 20 0 DFADHO Cc1ccc(CN(C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1C ZINC000662258131 431019307 /nfs/dbraw/zinc/01/93/07/431019307.db2.gz XFAOSXXIJMGSQC-GOSISDBHSA-N 1 3 300.446 2.789 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(C2CCN(C)CC2)CC1)[C@@H]1CC1(C)C ZINC000666086539 431111883 /nfs/dbraw/zinc/11/18/83/431111883.db2.gz DPZFBPGOQMKGJR-ZWKOTPCHSA-N 1 3 307.526 2.959 20 0 DFADHO Cc1ccc(C[NH+](C)C)cc1NC1CCN([C@H]2CCOC2)CC1 ZINC000655752181 431117098 /nfs/dbraw/zinc/11/70/98/431117098.db2.gz NFNPNZWVXAKXMJ-SFHVURJKSA-N 1 3 317.477 2.722 20 0 DFADHO CCC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccnc1 ZINC000368330019 278946500 /nfs/dbraw/zinc/94/65/00/278946500.db2.gz VIOBXJIFWIRYCZ-HKUYNNGSSA-N 1 3 316.493 2.681 20 0 DFADHO C[NH+](C)C1(CNC(=O)C[C@H]2NCc3ccccc32)CCCCC1 ZINC000662442323 431082362 /nfs/dbraw/zinc/08/23/62/431082362.db2.gz KRFYWYRSTHROOZ-QGZVFWFLSA-N 1 3 315.461 2.602 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662458459 431086574 /nfs/dbraw/zinc/08/65/74/431086574.db2.gz MKWZTHVWMWORHJ-AEFFLSMTSA-N 1 3 315.461 2.602 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662458459 431086579 /nfs/dbraw/zinc/08/65/79/431086579.db2.gz MKWZTHVWMWORHJ-AEFFLSMTSA-N 1 3 315.461 2.602 20 0 DFADHO CO[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655696945 431087685 /nfs/dbraw/zinc/08/76/85/431087685.db2.gz CUVUJSMSWBLPBT-RBUKOAKNSA-N 1 3 318.461 2.607 20 0 DFADHO CCN1C[C@H](CN(C)CC[C@@H]2CCC[NH2+]C2)Oc2ccccc21 ZINC000649411425 431093899 /nfs/dbraw/zinc/09/38/99/431093899.db2.gz WPNHOYXTYUTGBA-IRXDYDNUSA-N 1 3 317.477 2.595 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)c1cccc2c1CNC2)CC(C)C ZINC000662493722 431097870 /nfs/dbraw/zinc/09/78/70/431097870.db2.gz QASVHJBLSFVAGM-INIZCTEOSA-N 1 3 317.477 2.776 20 0 DFADHO CC[C@@H](NC)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000662509131 431101711 /nfs/dbraw/zinc/10/17/11/431101711.db2.gz BMZOSAYFYAISSK-GOSISDBHSA-N 1 3 317.477 2.898 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000662594456 431127605 /nfs/dbraw/zinc/12/76/05/431127605.db2.gz SSXIUSDRKVLYDU-JKSUJKDBSA-N 1 3 309.498 2.521 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000662594456 431127610 /nfs/dbraw/zinc/12/76/10/431127610.db2.gz SSXIUSDRKVLYDU-JKSUJKDBSA-N 1 3 309.498 2.521 20 0 DFADHO Cc1nc(C)c([C@H](C)NCCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000178070645 279079407 /nfs/dbraw/zinc/07/94/07/279079407.db2.gz ZYFHLIZFJYRLBW-SWLSCSKDSA-N 1 3 311.495 2.647 20 0 DFADHO Cc1nc(C)c([C@H](C)NCCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000178070645 279079409 /nfs/dbraw/zinc/07/94/09/279079409.db2.gz ZYFHLIZFJYRLBW-SWLSCSKDSA-N 1 3 311.495 2.647 20 0 DFADHO Cn1ccnc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666237870 431163601 /nfs/dbraw/zinc/16/36/01/431163601.db2.gz JXNWZLDABHFCDR-UHFFFAOYSA-N 1 3 300.406 2.507 20 0 DFADHO Cn1c2ccc(Cl)cc2nc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826025 431171398 /nfs/dbraw/zinc/17/13/98/431171398.db2.gz CVGWVMAGZCSKBQ-BJHJDKERSA-N 1 3 306.841 2.657 20 0 DFADHO Cc1cncc(CCN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000649583682 431174004 /nfs/dbraw/zinc/17/40/04/431174004.db2.gz WAZDFJOYVOEUMC-HOTGVXAUSA-N 1 3 302.466 2.570 20 0 DFADHO Cc1cncc(CCN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000649583682 431174014 /nfs/dbraw/zinc/17/40/14/431174014.db2.gz WAZDFJOYVOEUMC-HOTGVXAUSA-N 1 3 302.466 2.570 20 0 DFADHO Cc1cncc(CC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)n1 ZINC000649583682 431174021 /nfs/dbraw/zinc/17/40/21/431174021.db2.gz WAZDFJOYVOEUMC-HOTGVXAUSA-N 1 3 302.466 2.570 20 0 DFADHO CN(CCN1CC[NH+](CCC2CCC2)CC1)Cc1ccccc1 ZINC000659911433 431182372 /nfs/dbraw/zinc/18/23/72/431182372.db2.gz GFNVUDSNFIDKTN-UHFFFAOYSA-N 1 3 315.505 2.926 20 0 DFADHO Cc1ccccc1C1CC[NH+](C[C@H](O)CN(C)C(C)C)CC1 ZINC000659907226 431183035 /nfs/dbraw/zinc/18/30/35/431183035.db2.gz XQAZGUSKOQGYFP-GOSISDBHSA-N 1 3 304.478 2.876 20 0 DFADHO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000655851597 431186686 /nfs/dbraw/zinc/18/66/86/431186686.db2.gz ZIBPASFQNQGMCM-MXASKKJJSA-N 1 3 316.445 2.981 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000659920437 431186916 /nfs/dbraw/zinc/18/69/16/431186916.db2.gz LLRQBALKFRDLAQ-GOSISDBHSA-N 1 3 322.468 2.781 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H]3CCCO3)C2)s1 ZINC000649604447 431192162 /nfs/dbraw/zinc/19/21/62/431192162.db2.gz FKNMJVLBEJQBTA-CVEARBPZSA-N 1 3 308.491 2.989 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H]3CCCO3)C2)s1 ZINC000649604447 431192166 /nfs/dbraw/zinc/19/21/66/431192166.db2.gz FKNMJVLBEJQBTA-CVEARBPZSA-N 1 3 308.491 2.989 20 0 DFADHO c1cc2c(cc1CN1CCC[C@H](OC3CCC3)C1)C[NH2+]CC2 ZINC000655945937 431225301 /nfs/dbraw/zinc/22/53/01/431225301.db2.gz IBHBJUOBOBBUAW-IBGZPJMESA-N 1 3 300.446 2.866 20 0 DFADHO C[NH+](C)CCOc1ccc(CN[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000666484060 431248257 /nfs/dbraw/zinc/24/82/57/431248257.db2.gz GMKPSXFGTSGPIY-IAGOWNOFSA-N 1 3 300.402 2.866 20 0 DFADHO CC(C)N(C)C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000660066381 431254881 /nfs/dbraw/zinc/25/48/81/431254881.db2.gz ZHZCXQOZSWZEKY-QZTJIDSGSA-N 1 3 308.441 2.958 20 0 DFADHO [NH3+]C1(CC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CCC1 ZINC000646408756 431300107 /nfs/dbraw/zinc/30/01/07/431300107.db2.gz GMKQSXQKMMSFCB-KRWDZBQOSA-N 1 3 315.461 2.601 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000656196029 431302162 /nfs/dbraw/zinc/30/21/62/431302162.db2.gz UHTKTSFOUAEFSB-BFHYXJOUSA-N 1 3 309.404 2.651 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000656197917 431305038 /nfs/dbraw/zinc/30/50/38/431305038.db2.gz DMUIXBZSOLSNIN-IAGOWNOFSA-N 1 3 316.493 2.899 20 0 DFADHO Cc1cc(C[C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)n(-c2ccccc2)n1 ZINC000656198191 431305085 /nfs/dbraw/zinc/30/50/85/431305085.db2.gz MIBFUZXVPSNGKW-USXIJHARSA-N 1 3 312.461 2.971 20 0 DFADHO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H](N)C2)n(-c2ccccc2)n1 ZINC000656198191 431305089 /nfs/dbraw/zinc/30/50/89/431305089.db2.gz MIBFUZXVPSNGKW-USXIJHARSA-N 1 3 312.461 2.971 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)C[C@H](C)O1 ZINC000186927873 288153177 /nfs/dbraw/zinc/15/31/77/288153177.db2.gz GKHGVYZBVCBQIK-JZXOWHBKSA-N 1 3 324.509 2.765 20 0 DFADHO COc1cc2nccc(N3CCC[C@@H](CC[NH3+])C3)c2cc1OC ZINC000663238673 431336969 /nfs/dbraw/zinc/33/69/69/431336969.db2.gz COWHZUXRWCMDBF-ZDUSSCGKSA-N 1 3 315.417 2.817 20 0 DFADHO Cc1cnc(CC[NH2+]C2CCN(c3ccncc3)CC2)c(C)c1 ZINC000656269065 431346984 /nfs/dbraw/zinc/34/69/84/431346984.db2.gz KTBVIQMELHAMQX-UHFFFAOYSA-N 1 3 310.445 2.895 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@]1(C)Cc1ccccc1 ZINC000660291150 431361794 /nfs/dbraw/zinc/36/17/94/431361794.db2.gz VLWGRKDKHFPANM-RBUKOAKNSA-N 1 3 304.478 2.785 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@]1(C)Cc1ccccc1 ZINC000660291150 431361800 /nfs/dbraw/zinc/36/18/00/431361800.db2.gz VLWGRKDKHFPANM-RBUKOAKNSA-N 1 3 304.478 2.785 20 0 DFADHO COc1cc(CN[C@H]2CC23CC[NH2+]CC3)cc(Cl)c1OC ZINC000666950902 431420138 /nfs/dbraw/zinc/42/01/38/431420138.db2.gz PSOFVRZFVRAYFQ-AWEZNQCLSA-N 1 3 310.825 2.589 20 0 DFADHO Fc1cccc(N2CCCC2)c1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666950992 431420823 /nfs/dbraw/zinc/42/08/23/431420823.db2.gz VSBGWEPLXUCCON-KRWDZBQOSA-N 1 3 303.425 2.658 20 0 DFADHO Cc1nn(-c2cccc(F)c2)cc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666955350 431423035 /nfs/dbraw/zinc/42/30/35/431423035.db2.gz BEKTUGCMKICCID-KRWDZBQOSA-N 1 3 314.408 2.552 20 0 DFADHO CCCCN1CCC([NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000663359532 431385719 /nfs/dbraw/zinc/38/57/19/431385719.db2.gz IDMWSKDBDKQVDP-UHFFFAOYSA-N 1 3 317.477 2.894 20 0 DFADHO CCCC[NH+]1CCC(NCCC(=O)N(C)c2ccccc2)CC1 ZINC000663359532 431385724 /nfs/dbraw/zinc/38/57/24/431385724.db2.gz IDMWSKDBDKQVDP-UHFFFAOYSA-N 1 3 317.477 2.894 20 0 DFADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000646754453 431386428 /nfs/dbraw/zinc/38/64/28/431386428.db2.gz LEAJDIFLOJUZEQ-SFHVURJKSA-N 1 3 323.525 2.734 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000666858113 431386669 /nfs/dbraw/zinc/38/66/69/431386669.db2.gz XTBILPBLCGNHBC-HOCLYGCPSA-N 1 3 303.450 2.698 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000367597605 279761650 /nfs/dbraw/zinc/76/16/50/279761650.db2.gz BXZHUZQHYUPXSC-DLBZAZTESA-N 1 3 322.497 2.978 20 0 DFADHO OC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)CCC1 ZINC000663368827 431389224 /nfs/dbraw/zinc/38/92/24/431389224.db2.gz OVYUXISNKKLEFQ-GOSISDBHSA-N 1 3 314.473 2.793 20 0 DFADHO CCC[C@H](N)c1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656469013 431397196 /nfs/dbraw/zinc/39/71/96/431397196.db2.gz YMMOTPFXSLXTMK-SJORKVTESA-N 1 3 313.449 2.600 20 0 DFADHO CCC[C@H](N)c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656469013 431397205 /nfs/dbraw/zinc/39/72/05/431397205.db2.gz YMMOTPFXSLXTMK-SJORKVTESA-N 1 3 313.449 2.600 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3c(n2)CCC3)C[C@@H](C)O1 ZINC000656493477 431408890 /nfs/dbraw/zinc/40/88/90/431408890.db2.gz CEYGMTDBFLVVOS-HZPDHXFCSA-N 1 3 317.477 2.549 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000656499146 431409173 /nfs/dbraw/zinc/40/91/73/431409173.db2.gz UAJVCSAMOWHPOQ-BJLQDIEVSA-N 1 3 313.489 2.548 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995389 431438484 /nfs/dbraw/zinc/43/84/84/431438484.db2.gz MRKKDIDIJBFNRC-NEWSRXKRSA-N 1 3 313.489 2.771 20 0 DFADHO C[C@@H]1C[NH2+]CC[C@H]1CN1CCNC[C@H]1c1cccc(Cl)c1 ZINC000663493818 431442368 /nfs/dbraw/zinc/44/23/68/431442368.db2.gz KKPXUWQKYQVNFI-KMFMINBZSA-N 1 3 307.869 2.532 20 0 DFADHO CC[NH2+]Cc1cccc(NCc2nc3c(s2)CNCC3)c1 ZINC000663493733 431443799 /nfs/dbraw/zinc/44/37/99/431443799.db2.gz IZRRSAICAHHTAP-UHFFFAOYSA-N 1 3 302.447 2.510 20 0 DFADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC12CC(C1)CN2 ZINC000663499192 431445734 /nfs/dbraw/zinc/44/57/34/431445734.db2.gz BWFYTTGVHQSNRE-ZOODHJKOSA-N 1 3 309.251 2.722 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NCC[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000663504280 431447402 /nfs/dbraw/zinc/44/74/02/431447402.db2.gz YCBFENGMAGWOQG-HZPDHXFCSA-N 1 3 305.466 2.984 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN2CCCCC2)C12CCOCC2 ZINC000186261246 279816090 /nfs/dbraw/zinc/81/60/90/279816090.db2.gz MZYWNSMZTYJAON-KZNAEPCWSA-N 1 3 324.509 2.672 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cn1 ZINC000663465979 431433118 /nfs/dbraw/zinc/43/31/18/431433118.db2.gz MMKMZCRNDAQIEQ-YJBOKZPZSA-N 1 3 317.477 2.733 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663465979 431433124 /nfs/dbraw/zinc/43/31/24/431433124.db2.gz MMKMZCRNDAQIEQ-YJBOKZPZSA-N 1 3 317.477 2.733 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663465979 431433130 /nfs/dbraw/zinc/43/31/30/431433130.db2.gz MMKMZCRNDAQIEQ-YJBOKZPZSA-N 1 3 317.477 2.733 20 0 DFADHO COc1ccc(OC)c(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656784740 431521114 /nfs/dbraw/zinc/52/11/14/431521114.db2.gz GTLCAWWMHALOIY-INIZCTEOSA-N 1 3 318.461 2.915 20 0 DFADHO COc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1O ZINC000656785534 431522081 /nfs/dbraw/zinc/52/20/81/431522081.db2.gz LMQXZIGJXBQKKB-INIZCTEOSA-N 1 3 304.434 2.612 20 0 DFADHO Cn1cnc2cc(CN3CCC([C@H]4CCC[NH2+]C4)CC3)ccc21 ZINC000656787301 431522105 /nfs/dbraw/zinc/52/21/05/431522105.db2.gz WWTUQGKILXOZGC-KRWDZBQOSA-N 1 3 312.461 2.785 20 0 DFADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC[C@@H]2CCSC2)cc1 ZINC000656790253 431525954 /nfs/dbraw/zinc/52/59/54/431525954.db2.gz MDDMRJBBCCAFKE-WBAXXEDZSA-N 1 3 320.502 2.874 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)CN1C1CC1 ZINC000647248770 431527232 /nfs/dbraw/zinc/52/72/32/431527232.db2.gz BQRMRHRQAUTDKT-UIXUWTQFSA-N 1 3 313.489 2.547 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@@H]1CCc1ccccc1 ZINC000656701535 431486063 /nfs/dbraw/zinc/48/60/63/431486063.db2.gz XCWPJXFHTGEXJX-MOPGFXCFSA-N 1 3 304.478 2.785 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1CCc1ccccc1 ZINC000656701535 431486069 /nfs/dbraw/zinc/48/60/69/431486069.db2.gz XCWPJXFHTGEXJX-MOPGFXCFSA-N 1 3 304.478 2.785 20 0 DFADHO CC(C)N1CCC([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)CC1 ZINC000647343511 431559340 /nfs/dbraw/zinc/55/93/40/431559340.db2.gz TZCPSSPRUNKWFJ-QUCCMNQESA-N 1 3 315.505 2.794 20 0 DFADHO CN(C)Cc1ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000653845257 431551236 /nfs/dbraw/zinc/55/12/36/431551236.db2.gz BSWQOOJHUMTUSM-UHFFFAOYSA-N 1 3 305.466 2.598 20 0 DFADHO C[C@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)c2ccsc2S1 ZINC000268986272 280009531 /nfs/dbraw/zinc/00/95/31/280009531.db2.gz LPCJADMPBVQNCW-AAEUAGOBSA-N 1 3 312.504 2.720 20 0 DFADHO CC(C)[C@H](C(=O)NCCC[NH+]1CCCCCC1)N1CCCCC1 ZINC000354317359 280170376 /nfs/dbraw/zinc/17/03/76/280170376.db2.gz GAHQESNMCCBYGL-GOSISDBHSA-N 1 3 323.525 2.879 20 0 DFADHO COC1CCC([NH2+]Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000657080774 431594609 /nfs/dbraw/zinc/59/46/09/431594609.db2.gz CZCIZOVRVUWMNK-UHFFFAOYSA-N 1 3 306.450 2.674 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cc(F)cc(F)c3)C2)C1 ZINC000650707400 431654481 /nfs/dbraw/zinc/65/44/81/431654481.db2.gz FEJZDPRBCLSXFG-IAOVAPTHSA-N 1 3 310.388 2.683 20 0 DFADHO C[C@H]1CCCN(Cc2cc(-n3ccnc3)cs2)[C@@H]1CC[NH3+] ZINC000650711111 431657392 /nfs/dbraw/zinc/65/73/92/431657392.db2.gz ITZVOTVNMQJBSG-XJKSGUPXSA-N 1 3 304.463 2.883 20 0 DFADHO C[C@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)[C@@H]1CCN ZINC000650711111 431657397 /nfs/dbraw/zinc/65/73/97/431657397.db2.gz ITZVOTVNMQJBSG-XJKSGUPXSA-N 1 3 304.463 2.883 20 0 DFADHO C[C@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)[C@@H]1CCN ZINC000650711111 431657398 /nfs/dbraw/zinc/65/73/98/431657398.db2.gz ITZVOTVNMQJBSG-XJKSGUPXSA-N 1 3 304.463 2.883 20 0 DFADHO COc1ccc(OC(F)F)c(CNCCC2(C[NH3+])CC2)c1 ZINC000650712682 431660572 /nfs/dbraw/zinc/66/05/72/431660572.db2.gz PCXHMCYNCYRMJQ-UHFFFAOYSA-N 1 3 300.349 2.515 20 0 DFADHO C(c1nc2c(s1)CCCC2)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545730 431624210 /nfs/dbraw/zinc/62/42/10/431624210.db2.gz JVLFVCOXNRGAIB-KGLIPLIRSA-N 1 3 305.491 2.843 20 0 DFADHO FC(F)(F)c1csc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647550477 431628839 /nfs/dbraw/zinc/62/88/39/431628839.db2.gz RUYSCPFSUBBSLH-OPRDCNLKSA-N 1 3 305.369 2.640 20 0 DFADHO Cc1nc(C)c(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723234 431664261 /nfs/dbraw/zinc/66/42/61/431664261.db2.gz JXZLKMAQSRVQLS-RRFJBIMHSA-N 1 3 309.479 2.621 20 0 DFADHO C[C@@H](CNCc1ccnn1-c1ccncc1)[N@@H+]1CCCC[C@@H]1C ZINC000657308956 431664380 /nfs/dbraw/zinc/66/43/80/431664380.db2.gz ZYJZCQPWFXTBPV-HOTGVXAUSA-N 1 3 313.449 2.620 20 0 DFADHO C[C@@H](CNCc1ccnn1-c1ccncc1)[N@H+]1CCCC[C@@H]1C ZINC000657308956 431664386 /nfs/dbraw/zinc/66/43/86/431664386.db2.gz ZYJZCQPWFXTBPV-HOTGVXAUSA-N 1 3 313.449 2.620 20 0 DFADHO C[C@@H](C[NH2+]Cc1ccnn1-c1ccncc1)N1CCCC[C@@H]1C ZINC000657308956 431664393 /nfs/dbraw/zinc/66/43/93/431664393.db2.gz ZYJZCQPWFXTBPV-HOTGVXAUSA-N 1 3 313.449 2.620 20 0 DFADHO CCc1ncc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723336 431666254 /nfs/dbraw/zinc/66/62/54/431666254.db2.gz LUBUNKUCPJYZAG-BPLDGKMQSA-N 1 3 309.479 2.566 20 0 DFADHO COCc1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650724138 431669176 /nfs/dbraw/zinc/66/91/76/431669176.db2.gz YQOOQCVMCPSADF-OTWHNJEPSA-N 1 3 318.461 2.694 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2ccccc2F)CCC1 ZINC000650740751 431674924 /nfs/dbraw/zinc/67/49/24/431674924.db2.gz PZJUBQSHAOQYCD-ZQIUZPCESA-N 1 3 306.425 2.589 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740751 431674926 /nfs/dbraw/zinc/67/49/26/431674926.db2.gz PZJUBQSHAOQYCD-ZQIUZPCESA-N 1 3 306.425 2.589 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000650741899 431675397 /nfs/dbraw/zinc/67/53/97/431675397.db2.gz NUENTJLUKFAFJW-NTZUZEMLSA-N 1 3 300.446 2.598 20 0 DFADHO C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657325978 431676737 /nfs/dbraw/zinc/67/67/37/431676737.db2.gz QJKLRNDALCAANR-HUUCEWRRSA-N 1 3 304.482 2.675 20 0 DFADHO c1cc([C@@H]2C[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CCO2)ccn1 ZINC000650752348 431680794 /nfs/dbraw/zinc/68/07/94/431680794.db2.gz PKLRRSRWVFOABV-FQBWVUSXSA-N 1 3 315.461 2.812 20 0 DFADHO C[NH2+]Cc1ccccc1CN[C@@H](C)CC(=O)Nc1ccccc1 ZINC000650759059 431681841 /nfs/dbraw/zinc/68/18/41/431681841.db2.gz CDGBOGGAAAVVPS-HNNXBMFYSA-N 1 3 311.429 2.913 20 0 DFADHO Cc1c(Br)cncc1C[NH2+][C@H](C)CCN(C)C ZINC000657335988 431683168 /nfs/dbraw/zinc/68/31/68/431683168.db2.gz VXLVUUMNHWDXAD-SNVBAGLBSA-N 1 3 300.244 2.582 20 0 DFADHO Cn1cc([C@H](NCCC2CC[NH2+]CC2)c2cccc(F)c2)cn1 ZINC000650762546 431683863 /nfs/dbraw/zinc/68/38/63/431683863.db2.gz DOGIHKGQGJORGF-GOSISDBHSA-N 1 3 316.424 2.628 20 0 DFADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000657337467 431683891 /nfs/dbraw/zinc/68/38/91/431683891.db2.gz VSVROEZJAXHPTB-SJLPKXTDSA-N 1 3 320.477 2.922 20 0 DFADHO C[C@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCCNC1 ZINC000650760895 431685931 /nfs/dbraw/zinc/68/59/31/431685931.db2.gz OIWPVCVACKIKKH-AAEUAGOBSA-N 1 3 312.360 2.528 20 0 DFADHO C[C@H](NCCc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCC[NH2+]C1 ZINC000650760895 431685937 /nfs/dbraw/zinc/68/59/37/431685937.db2.gz OIWPVCVACKIKKH-AAEUAGOBSA-N 1 3 312.360 2.528 20 0 DFADHO Fc1cc(F)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1F ZINC000647795253 431690212 /nfs/dbraw/zinc/69/02/12/431690212.db2.gz MKSPGVLSNWPRBV-LPEHRKFASA-N 1 3 302.315 2.721 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccnc(C(F)(F)F)c1 ZINC000664194789 431690552 /nfs/dbraw/zinc/69/05/52/431690552.db2.gz HPGFRSCNTUDBON-LBPRGKRZSA-N 1 3 318.387 2.784 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccnc(C(F)(F)F)c1 ZINC000664194789 431690555 /nfs/dbraw/zinc/69/05/55/431690555.db2.gz HPGFRSCNTUDBON-LBPRGKRZSA-N 1 3 318.387 2.784 20 0 DFADHO c1ccc2c(c1)O[C@H](CCNC1C[C@H]3CC[C@@H](C1)[NH2+]3)CS2 ZINC000647800701 431692096 /nfs/dbraw/zinc/69/20/96/431692096.db2.gz JFVZUCFWCKICKF-IZGVIRRGSA-N 1 3 304.459 2.802 20 0 DFADHO Cc1cccc2nc(CCN[C@H](Cc3ccccc3)[C@H](C)[NH3+])cn21 ZINC000647804588 431693712 /nfs/dbraw/zinc/69/37/12/431693712.db2.gz VCUVZDMXNGVFDZ-QFBILLFUSA-N 1 3 322.456 2.733 20 0 DFADHO Cc1cccc2nc(CCN[C@@H](Cc3ccccc3)[C@H](C)[NH3+])cn21 ZINC000647804587 431693942 /nfs/dbraw/zinc/69/39/42/431693942.db2.gz VCUVZDMXNGVFDZ-LPHOPBHVSA-N 1 3 322.456 2.733 20 0 DFADHO CN1CCC(O)(C[NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC000657372586 431709666 /nfs/dbraw/zinc/70/96/66/431709666.db2.gz UNZFJJDCECZDQD-UHFFFAOYSA-N 1 3 302.462 2.891 20 0 DFADHO O=C(CCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCC1CCCCC1 ZINC000647903456 431724528 /nfs/dbraw/zinc/72/45/28/431724528.db2.gz JKHRMFNMONCGAT-ZWKOTPCHSA-N 1 3 321.509 2.537 20 0 DFADHO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CO1 ZINC000657460524 431765270 /nfs/dbraw/zinc/76/52/70/431765270.db2.gz ZRDYZJGKYBSVOC-SJORKVTESA-N 1 3 318.461 2.817 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000647965077 431755276 /nfs/dbraw/zinc/75/52/76/431755276.db2.gz FVJISMNJBLTEAE-IAGOWNOFSA-N 1 3 322.518 2.802 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000647965077 431755281 /nfs/dbraw/zinc/75/52/81/431755281.db2.gz FVJISMNJBLTEAE-IAGOWNOFSA-N 1 3 322.518 2.802 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000647964665 431755971 /nfs/dbraw/zinc/75/59/71/431755971.db2.gz SZYMETKXGBPZTG-SFHVURJKSA-N 1 3 308.441 2.739 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000647964665 431755977 /nfs/dbraw/zinc/75/59/77/431755977.db2.gz SZYMETKXGBPZTG-SFHVURJKSA-N 1 3 308.441 2.739 20 0 DFADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NC1CCCCCC1 ZINC000647975270 431761517 /nfs/dbraw/zinc/76/15/17/431761517.db2.gz TYYQAXMLQZJDPP-IRXDYDNUSA-N 1 3 321.509 2.537 20 0 DFADHO c1cc(CN(C[C@H]2CC[NH2+]C2)C2CCCC2)cc2c1OCO2 ZINC000647872651 431714029 /nfs/dbraw/zinc/71/40/29/431714029.db2.gz NVMMDCDBZQUJPL-HNNXBMFYSA-N 1 3 302.418 2.769 20 0 DFADHO COc1ccc(CCC2CCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647874360 431714647 /nfs/dbraw/zinc/71/46/47/431714647.db2.gz NFVWOMYVVOCGGC-SFHVURJKSA-N 1 3 302.462 2.949 20 0 DFADHO CN(CCCC1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000647884471 431719495 /nfs/dbraw/zinc/71/94/95/431719495.db2.gz UJMKUYYNJMWYTB-SFHVURJKSA-N 1 3 315.461 2.504 20 0 DFADHO O=C(CCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCC1CCCCC1 ZINC000647903454 431723366 /nfs/dbraw/zinc/72/33/66/431723366.db2.gz JKHRMFNMONCGAT-QZTJIDSGSA-N 1 3 321.509 2.537 20 0 DFADHO CCC[C@H]1CN(C[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000647990903 431767368 /nfs/dbraw/zinc/76/73/68/431767368.db2.gz UDNGWFRFFJGLHN-OALUTQOASA-N 1 3 301.478 2.582 20 0 DFADHO Cc1ccc(-c2nn(C)cc2CN2CCC(C[NH+](C)C)CC2)o1 ZINC000648001813 431772488 /nfs/dbraw/zinc/77/24/88/431772488.db2.gz LNLJCFRYJHKMBS-UHFFFAOYSA-N 1 3 316.449 2.762 20 0 DFADHO CCC(C)(C)[C@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000661230543 431787389 /nfs/dbraw/zinc/78/73/89/431787389.db2.gz CORTYXGKNMMBBT-DOTOQJQBSA-N 1 3 319.493 2.820 20 0 DFADHO CN(C)C[C@@H](NC(=O)CCC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000648154111 431826557 /nfs/dbraw/zinc/82/65/57/431826557.db2.gz ZITAHDNRDKCKKS-CQSZACIVSA-N 1 3 311.857 2.576 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@H](C)C2 ZINC000282397547 281092012 /nfs/dbraw/zinc/09/20/12/281092012.db2.gz RLWPLWAPKIEHDT-APWZRJJASA-N 1 3 315.505 2.844 20 0 DFADHO CCc1ccc([C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000292127448 281425872 /nfs/dbraw/zinc/42/58/72/281425872.db2.gz RCZDAVCWFWBAPS-ROUUACIJSA-N 1 3 317.477 2.500 20 0 DFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418577517 289152805 /nfs/dbraw/zinc/15/28/05/289152805.db2.gz IHURBCVUNNDSAN-IRXDYDNUSA-N 1 3 324.513 2.554 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292367124 290048235 /nfs/dbraw/zinc/04/82/35/290048235.db2.gz YZINGKAUQPOXHP-JCGIZDLHSA-N 1 3 317.477 2.912 20 0 DFADHO C[C@@H](C[NH+]1CCC(OCCN(C)C)CC1)c1ccc(F)cc1 ZINC000438116841 297080921 /nfs/dbraw/zinc/08/09/21/297080921.db2.gz NSBVPQRZYYXXOF-HNNXBMFYSA-N 1 3 308.441 2.972 20 0 DFADHO COc1ccc(CC[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1O ZINC000373789939 295121990 /nfs/dbraw/zinc/12/19/90/295121990.db2.gz YQUNOEPCGOSUNB-XIRDDKMYSA-N 1 3 318.461 2.938 20 0 DFADHO COc1ccc(CC[C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1O ZINC000373789939 295121992 /nfs/dbraw/zinc/12/19/92/295121992.db2.gz YQUNOEPCGOSUNB-XIRDDKMYSA-N 1 3 318.461 2.938 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCN3CCC[C@H]3C2)cc1O ZINC000373789939 295121994 /nfs/dbraw/zinc/12/19/94/295121994.db2.gz YQUNOEPCGOSUNB-XIRDDKMYSA-N 1 3 318.461 2.938 20 0 DFADHO CCc1ccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000154349050 295298216 /nfs/dbraw/zinc/29/82/16/295298216.db2.gz BTLDLMGHIFGPDJ-KRWDZBQOSA-N 1 3 303.494 2.927 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000154426110 295300146 /nfs/dbraw/zinc/30/01/46/295300146.db2.gz KPSOCHMYAIZGAU-GOSISDBHSA-N 1 3 321.896 2.945 20 0 DFADHO CC1(C)CC(NC(=O)[C@H]2CCCN2C2CCCC2)CC(C)(C)[NH2+]1 ZINC000440156089 297146038 /nfs/dbraw/zinc/14/60/38/297146038.db2.gz NWMVHVONQUZARV-MRXNPFEDSA-N 1 3 321.509 2.819 20 0 DFADHO CCc1nc(C)c([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)s1 ZINC000442864371 297208523 /nfs/dbraw/zinc/20/85/23/297208523.db2.gz CUKFLVSRLZSNQC-ZDUSSCGKSA-N 1 3 324.538 2.691 20 0 DFADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(OC)c1 ZINC000442860743 297208534 /nfs/dbraw/zinc/20/85/34/297208534.db2.gz CNRAKPPXYOHFLW-GOSISDBHSA-N 1 3 319.493 2.762 20 0 DFADHO CCc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)s1 ZINC000442878682 297209048 /nfs/dbraw/zinc/20/90/48/297209048.db2.gz UJXDKPSLBYLIHG-CQSZACIVSA-N 1 3 309.523 2.987 20 0 DFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000443059891 297214011 /nfs/dbraw/zinc/21/40/11/297214011.db2.gz NSKOZGIEXGMHPF-YESZJQIVSA-N 1 3 317.477 2.622 20 0 DFADHO CC(C)[C@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443058437 297214016 /nfs/dbraw/zinc/21/40/16/297214016.db2.gz ADHLTNHNOOPUIS-APWZRJJASA-N 1 3 317.477 2.561 20 0 DFADHO CSc1cccc(NC(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443063100 297214375 /nfs/dbraw/zinc/21/43/75/297214375.db2.gz VVALHKWDBHDXMJ-KGLIPLIRSA-N 1 3 321.490 2.796 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1(C)C ZINC000443068375 297214873 /nfs/dbraw/zinc/21/48/73/297214873.db2.gz KNBBBOUUEPJPRL-LSDHHAIUSA-N 1 3 313.555 2.522 20 0 DFADHO CC[NH+]1CCC(NCCN2CCc3c(Cl)cccc3C2)CC1 ZINC000443091444 297215458 /nfs/dbraw/zinc/21/54/58/297215458.db2.gz YECMPNAYKNIQLT-UHFFFAOYSA-N 1 3 321.896 2.772 20 0 DFADHO Cc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c(C)o1 ZINC000447572497 297308966 /nfs/dbraw/zinc/30/89/66/297308966.db2.gz CGMNZKIVDMMLFN-MORSLUCNSA-N 1 3 306.450 2.925 20 0 DFADHO CC[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N(CC)CC ZINC000448521101 297340809 /nfs/dbraw/zinc/34/08/09/297340809.db2.gz PVKWFECYARSMGL-JQHSSLGASA-N 1 3 321.509 2.582 20 0 DFADHO CC[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N(CC)CC ZINC000448521101 297340811 /nfs/dbraw/zinc/34/08/11/297340811.db2.gz PVKWFECYARSMGL-JQHSSLGASA-N 1 3 321.509 2.582 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CC3CC(F)(F)C3)CC2)C[C@@H](C)O1 ZINC000450340407 297615402 /nfs/dbraw/zinc/61/54/02/297615402.db2.gz FLJVERLCNLKFKL-ZIAGYGMSSA-N 1 3 316.436 2.853 20 0 DFADHO CN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453053758 298057739 /nfs/dbraw/zinc/05/77/39/298057739.db2.gz GRAQDHYUEMCKSR-XUVXKRRUSA-N 1 3 315.505 2.971 20 0 DFADHO CO[C@H]1C[C@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C12CCC2 ZINC000453068781 298059228 /nfs/dbraw/zinc/05/92/28/298059228.db2.gz SRMFMNVXAHCEHI-ROUUACIJSA-N 1 3 318.461 2.674 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453098885 298061633 /nfs/dbraw/zinc/06/16/33/298061633.db2.gz XJJXTUWKSXEQTA-LJQANCHMSA-N 1 3 307.526 2.963 20 0 DFADHO O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453625927 298106795 /nfs/dbraw/zinc/10/67/95/298106795.db2.gz FPXBIJQOPIUBCJ-IVDHNXQLSA-N 1 3 314.473 2.648 20 0 DFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000454356698 298160968 /nfs/dbraw/zinc/16/09/68/298160968.db2.gz NPVPOXKMANRYOG-QGZVFWFLSA-N 1 3 318.465 2.695 20 0 DFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000454356698 298160971 /nfs/dbraw/zinc/16/09/71/298160971.db2.gz NPVPOXKMANRYOG-QGZVFWFLSA-N 1 3 318.465 2.695 20 0 DFADHO COC(=O)Nc1ccc(CCN[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000496135399 300020179 /nfs/dbraw/zinc/02/01/79/300020179.db2.gz VVVZYKXEUHHVFY-HZPDHXFCSA-N 1 3 305.422 2.657 20 0 DFADHO CC[C@H](CN[C@@H]1CC[N@H+](CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000497157760 300170503 /nfs/dbraw/zinc/17/05/03/300170503.db2.gz DNXRTLZBULUUBK-RBSFLKMASA-N 1 3 313.486 2.610 20 0 DFADHO CC[C@H](CN[C@@H]1CC[N@@H+](CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000497157760 300170505 /nfs/dbraw/zinc/17/05/05/300170505.db2.gz DNXRTLZBULUUBK-RBSFLKMASA-N 1 3 313.486 2.610 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@H]1CCCOC1 ZINC000507489789 300236469 /nfs/dbraw/zinc/23/64/69/300236469.db2.gz YFQSDNRHMQFEPK-IHPCNDPISA-N 1 3 316.489 2.956 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000507489792 300236522 /nfs/dbraw/zinc/23/65/22/300236522.db2.gz YFQSDNRHMQFEPK-YSIASYRMSA-N 1 3 316.489 2.956 20 0 DFADHO C[C@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C(C)(C)C1 ZINC000354849831 300240698 /nfs/dbraw/zinc/24/06/98/300240698.db2.gz MAQCTGBHWFYAID-WBVHZDCISA-N 1 3 317.477 2.526 20 0 DFADHO C[C@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C(C)(C)C1 ZINC000354849831 300240702 /nfs/dbraw/zinc/24/07/02/300240702.db2.gz MAQCTGBHWFYAID-WBVHZDCISA-N 1 3 317.477 2.526 20 0 DFADHO C[C@H]1C[C@H]([NH3+])CCN1CCC(=O)Nc1cccc2ccccc21 ZINC000514612102 300262683 /nfs/dbraw/zinc/26/26/83/300262683.db2.gz JTVWEUKZQYHQEW-GOEBONIOSA-N 1 3 311.429 2.980 20 0 DFADHO CCC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000514855818 300275654 /nfs/dbraw/zinc/27/56/54/300275654.db2.gz CHTOGIPJWNTRMP-AWEZNQCLSA-N 1 3 323.868 2.990 20 0 DFADHO CCC[N@H+]1CC[C@@H](CNCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000514855818 300275656 /nfs/dbraw/zinc/27/56/56/300275656.db2.gz CHTOGIPJWNTRMP-AWEZNQCLSA-N 1 3 323.868 2.990 20 0 DFADHO CCCN1CC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000514855818 300275658 /nfs/dbraw/zinc/27/56/58/300275658.db2.gz CHTOGIPJWNTRMP-AWEZNQCLSA-N 1 3 323.868 2.990 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000515311554 300300454 /nfs/dbraw/zinc/30/04/54/300300454.db2.gz NMDAMPPGSVJKND-WMZOPIPTSA-N 1 3 305.441 2.650 20 0 DFADHO CCN(CC)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000515413258 300305650 /nfs/dbraw/zinc/30/56/50/300305650.db2.gz QOAXOKUHKCRNSP-SXLOBPIMSA-N 1 3 317.521 2.917 20 0 DFADHO c1cc(N2CCC([NH2+]CCc3cnc(C4CC4)nc3)CC2)ccn1 ZINC000516254620 300336796 /nfs/dbraw/zinc/33/67/96/300336796.db2.gz SZANFBZJHOLRPJ-UHFFFAOYSA-N 1 3 323.444 2.550 20 0 DFADHO CN(Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccc2c(c1)OCCO2 ZINC000516300783 300338640 /nfs/dbraw/zinc/33/86/40/300338640.db2.gz IJHGGHMVNLOIAL-UHFFFAOYSA-N 1 3 324.424 2.736 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(NC(=O)c3ccncc3)cc2)C1 ZINC000516937590 300370824 /nfs/dbraw/zinc/37/08/24/300370824.db2.gz LHEKLOBOLRUQDL-FUHWJXTLSA-N 1 3 324.428 2.693 20 0 DFADHO C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCCNC1 ZINC000517553657 300399153 /nfs/dbraw/zinc/39/91/53/300399153.db2.gz FKQVDCPTYZVNGP-DOTOQJQBSA-N 1 3 319.468 2.768 20 0 DFADHO Fc1ccc(N2CCC([NH2+][C@H]3CCNC34CCC4)CC2)c(F)c1 ZINC000530177836 301025962 /nfs/dbraw/zinc/02/59/62/301025962.db2.gz ILZRJNDWNRJHKX-KRWDZBQOSA-N 1 3 321.415 2.808 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1cccc2c1OC(F)(F)O2 ZINC000530216209 301029729 /nfs/dbraw/zinc/02/97/29/301029729.db2.gz OAVPBOIGHUSTCT-AAEUAGOBSA-N 1 3 312.360 2.528 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530216209 301029731 /nfs/dbraw/zinc/02/97/31/301029731.db2.gz OAVPBOIGHUSTCT-AAEUAGOBSA-N 1 3 312.360 2.528 20 0 DFADHO Cc1ccc(-c2ccccc2CN2CCN(C)CC2)cc1C[NH3+] ZINC000530247865 301033640 /nfs/dbraw/zinc/03/36/40/301033640.db2.gz CSNPCNWAUIOFGM-UHFFFAOYSA-N 1 3 309.457 2.868 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000530272197 301037605 /nfs/dbraw/zinc/03/76/05/301037605.db2.gz GKAIWHVDZGJSTO-FUHWJXTLSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000530272197 301037609 /nfs/dbraw/zinc/03/76/09/301037609.db2.gz GKAIWHVDZGJSTO-FUHWJXTLSA-N 1 3 321.509 2.774 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000531687252 301104093 /nfs/dbraw/zinc/10/40/93/301104093.db2.gz WJFIWXBSKFIUGD-QGZVFWFLSA-N 1 3 319.493 2.682 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000531691841 301104235 /nfs/dbraw/zinc/10/42/35/301104235.db2.gz QOIQKLGIWPFRDY-GOSISDBHSA-N 1 3 321.896 2.943 20 0 DFADHO C[C@@H]1CCN(CC[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000531729111 301106427 /nfs/dbraw/zinc/10/64/27/301106427.db2.gz ZHSFCDCZWFZVCN-GOSISDBHSA-N 1 3 315.505 2.625 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000532239083 301139101 /nfs/dbraw/zinc/13/91/01/301139101.db2.gz MCLHNCGXBYFDRY-HOTGVXAUSA-N 1 3 303.450 2.644 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NCC[N@H+]2CC[C@H](C)C2)c1 ZINC000532239083 301139102 /nfs/dbraw/zinc/13/91/02/301139102.db2.gz MCLHNCGXBYFDRY-HOTGVXAUSA-N 1 3 303.450 2.644 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000532239084 301139172 /nfs/dbraw/zinc/13/91/72/301139172.db2.gz MCLHNCGXBYFDRY-HZPDHXFCSA-N 1 3 303.450 2.644 20 0 DFADHO Cc1cccc(NC(=O)C[C@@H](C)NCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000532239084 301139173 /nfs/dbraw/zinc/13/91/73/301139173.db2.gz MCLHNCGXBYFDRY-HZPDHXFCSA-N 1 3 303.450 2.644 20 0 DFADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532505382 301156866 /nfs/dbraw/zinc/15/68/66/301156866.db2.gz DFFGKRUMMWLPIW-KGLIPLIRSA-N 1 3 301.434 2.564 20 0 DFADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532505382 301156867 /nfs/dbraw/zinc/15/68/67/301156867.db2.gz DFFGKRUMMWLPIW-KGLIPLIRSA-N 1 3 301.434 2.564 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000534309149 301226666 /nfs/dbraw/zinc/22/66/66/301226666.db2.gz OXBSBIPTZDEWBZ-CYBMUJFWSA-N 1 3 321.465 2.862 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000534315754 301227581 /nfs/dbraw/zinc/22/75/81/301227581.db2.gz VEQNCOBPPAHTKY-JKSUJKDBSA-N 1 3 310.482 2.915 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000534315754 301227583 /nfs/dbraw/zinc/22/75/83/301227583.db2.gz VEQNCOBPPAHTKY-JKSUJKDBSA-N 1 3 310.482 2.915 20 0 DFADHO CC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccc1F ZINC000538709365 301328780 /nfs/dbraw/zinc/32/87/80/301328780.db2.gz SZTRCWVTMGQYNW-SFHVURJKSA-N 1 3 307.457 2.894 20 0 DFADHO CCC1CCC([NH2+]CC(=O)NCCN2CCCCCC2)CC1 ZINC000556890331 301818818 /nfs/dbraw/zinc/81/88/18/301818818.db2.gz XKGNRTIWMWKKCI-UHFFFAOYSA-N 1 3 309.498 2.537 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000562960439 302018834 /nfs/dbraw/zinc/01/88/34/302018834.db2.gz XXENWZIUQSSERO-GJZGRUSLSA-N 1 3 316.474 2.855 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCc1nc(-c2ccncc2)cs1 ZINC000562960439 302018836 /nfs/dbraw/zinc/01/88/36/302018836.db2.gz XXENWZIUQSSERO-GJZGRUSLSA-N 1 3 316.474 2.855 20 0 DFADHO CC1CC[NH+](C2CCC(NC[C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC000562997247 302023329 /nfs/dbraw/zinc/02/33/29/302023329.db2.gz RBWWQRNLKFXTGR-YMAMQOFZSA-N 1 3 322.415 2.932 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCc2ncc(C)cc2C)C1 ZINC000563042792 302030246 /nfs/dbraw/zinc/03/02/46/302030246.db2.gz ARHBXVNHZOSRQU-GOSISDBHSA-N 1 3 319.493 2.674 20 0 DFADHO CC(C)C[C@@H](CNC(=O)[C@H](N)C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000563074928 302034447 /nfs/dbraw/zinc/03/44/47/302034447.db2.gz UOEPXNHVGOJHRU-RYQLBKOJSA-N 1 3 319.493 2.851 20 0 DFADHO CC1CC[NH+](C[C@H]2CCCN(CCCc3cncn3C)C2)CC1 ZINC000563355944 302066187 /nfs/dbraw/zinc/06/61/87/302066187.db2.gz OKAVBIVOMVTSAY-SFHVURJKSA-N 1 3 318.509 2.797 20 0 DFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000563507032 302078267 /nfs/dbraw/zinc/07/82/67/302078267.db2.gz BLCGJNRHJQYMQD-UHFFFAOYSA-N 1 3 316.449 2.628 20 0 DFADHO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000563507032 302078268 /nfs/dbraw/zinc/07/82/68/302078268.db2.gz BLCGJNRHJQYMQD-UHFFFAOYSA-N 1 3 316.449 2.628 20 0 DFADHO Cc1ccc(OC[C@@H](O)C[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC000564077807 302117234 /nfs/dbraw/zinc/11/72/34/302117234.db2.gz WEWSYXODXGAVCB-MSOLQXFVSA-N 1 3 320.477 2.589 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@H]1CCCNC1 ZINC000564823383 302161340 /nfs/dbraw/zinc/16/13/40/302161340.db2.gz PNDRAMXIOPEARS-AEFFLSMTSA-N 1 3 301.478 2.881 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000564826618 302161776 /nfs/dbraw/zinc/16/17/76/302161776.db2.gz YZWCOCCVLNMAQC-IGNZVWTISA-N 1 3 303.450 2.705 20 0 DFADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@@H](O)CCc2ccccc2)C1 ZINC000564850276 302164162 /nfs/dbraw/zinc/16/41/62/302164162.db2.gz RUSAMNFJPDSPCM-MOPGFXCFSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)C[N@H+]1CC[C@H](CNC[C@@H](O)CCc2ccccc2)C1 ZINC000564850276 302164164 /nfs/dbraw/zinc/16/41/64/302164164.db2.gz RUSAMNFJPDSPCM-MOPGFXCFSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)CN1CC[C@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000564850276 302164167 /nfs/dbraw/zinc/16/41/67/302164167.db2.gz RUSAMNFJPDSPCM-MOPGFXCFSA-N 1 3 304.478 2.548 20 0 DFADHO CCC[C@H](CC)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000565178638 302202396 /nfs/dbraw/zinc/20/23/96/302202396.db2.gz TXOAIOBAGHOKRN-KRWDZBQOSA-N 1 3 323.525 2.878 20 0 DFADHO CCO[C@H]1C[C@H](NCC2([NH3+])CCCCCC2)C12CCOCC2 ZINC000565827637 302243871 /nfs/dbraw/zinc/24/38/71/302243871.db2.gz QZQCYTAFOUCEOT-HOTGVXAUSA-N 1 3 310.482 2.602 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000565827556 302244017 /nfs/dbraw/zinc/24/40/17/302244017.db2.gz BIXYFYZUJJPSMX-WMLDXEAASA-N 1 3 303.450 2.849 20 0 DFADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000565887590 302247084 /nfs/dbraw/zinc/24/70/84/302247084.db2.gz WQCZLTBAUMROQB-YQVWRLOYSA-N 1 3 304.478 2.719 20 0 DFADHO CC(C)C[N@H+]1CC[C@H](CNC[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000565887590 302247088 /nfs/dbraw/zinc/24/70/88/302247088.db2.gz WQCZLTBAUMROQB-YQVWRLOYSA-N 1 3 304.478 2.719 20 0 DFADHO C[C@H](CNC[C@H](O)[C@H](C)c1ccccc1)C[NH+]1CCCCC1 ZINC000566107371 302260284 /nfs/dbraw/zinc/26/02/84/302260284.db2.gz JRQWUXYGEFLMPV-LMMKCTJWSA-N 1 3 304.478 2.863 20 0 DFADHO C[C@H](C[NH2+]C[C@H](O)[C@H](C)c1ccccc1)CN1CCCCC1 ZINC000566107371 302260287 /nfs/dbraw/zinc/26/02/87/302260287.db2.gz JRQWUXYGEFLMPV-LMMKCTJWSA-N 1 3 304.478 2.863 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](O)CCc2ccccc2)C1 ZINC000566114536 302260449 /nfs/dbraw/zinc/26/04/49/302260449.db2.gz IZPINZIHWADANS-PMACEKPBSA-N 1 3 318.505 2.938 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](O)CCc2ccccc2)C1 ZINC000566114536 302260451 /nfs/dbraw/zinc/26/04/51/302260451.db2.gz IZPINZIHWADANS-PMACEKPBSA-N 1 3 318.505 2.938 20 0 DFADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000566114536 302260454 /nfs/dbraw/zinc/26/04/54/302260454.db2.gz IZPINZIHWADANS-PMACEKPBSA-N 1 3 318.505 2.938 20 0 DFADHO CCOc1ccc(OCCN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000566242028 302269572 /nfs/dbraw/zinc/26/95/72/302269572.db2.gz DYOAYOVFGQVJFT-KRWDZBQOSA-N 1 3 318.461 2.786 20 0 DFADHO Cc1ncc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1C ZINC000566926755 302323497 /nfs/dbraw/zinc/32/34/97/302323497.db2.gz PCZVCEPHQQCPMB-RHSMWYFYSA-N 1 3 318.490 2.963 20 0 DFADHO Cc1ncc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1C ZINC000566926755 302323498 /nfs/dbraw/zinc/32/34/98/302323498.db2.gz PCZVCEPHQQCPMB-RHSMWYFYSA-N 1 3 318.490 2.963 20 0 DFADHO Cc1ncc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)n1C ZINC000566926755 302323499 /nfs/dbraw/zinc/32/34/99/302323499.db2.gz PCZVCEPHQQCPMB-RHSMWYFYSA-N 1 3 318.490 2.963 20 0 DFADHO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@]1(C)CCCNC1 ZINC000567471856 302361451 /nfs/dbraw/zinc/36/14/51/302361451.db2.gz PRGSIXTVFSKWHR-KBXCAEBGSA-N 1 3 300.450 2.863 20 0 DFADHO CCn1nc(C)c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)c1C ZINC000567647640 302375751 /nfs/dbraw/zinc/37/57/51/302375751.db2.gz CQDXFVHIEJKLCI-ACJLOTCBSA-N 1 3 300.450 2.568 20 0 DFADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCCCCN1 ZINC000568397905 302447550 /nfs/dbraw/zinc/44/75/50/302447550.db2.gz GAYNQSBAEFXMHT-SFHVURJKSA-N 1 3 315.461 2.796 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCCNC1 ZINC000573792989 302723581 /nfs/dbraw/zinc/72/35/81/302723581.db2.gz CRFKLUOEWKIQLB-ARFHVFGLSA-N 1 3 305.441 2.630 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCCNC1 ZINC000573792996 302723630 /nfs/dbraw/zinc/72/36/30/302723630.db2.gz CRFKLUOEWKIQLB-XHSDSOJGSA-N 1 3 305.441 2.630 20 0 DFADHO [NH3+]C1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CCCCC1 ZINC000237924656 303355523 /nfs/dbraw/zinc/35/55/23/303355523.db2.gz FIFYUPTZFOEVHY-AWEZNQCLSA-N 1 3 321.490 2.663 20 0 DFADHO COC[C@@H](NCCC[N@H+](C)C1CCCCC1)C1CCOCC1 ZINC000187722251 316212896 /nfs/dbraw/zinc/21/28/96/316212896.db2.gz PDANEQIVQZVQCX-GOSISDBHSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@@H](NCCC[N@@H+](C)C1CCCCC1)C1CCOCC1 ZINC000187722251 316212898 /nfs/dbraw/zinc/21/28/98/316212898.db2.gz PDANEQIVQZVQCX-GOSISDBHSA-N 1 3 312.498 2.672 20 0 DFADHO COC[C@@H]([NH2+]CCCN(C)C1CCCCC1)C1CCOCC1 ZINC000187722251 316212900 /nfs/dbraw/zinc/21/29/00/316212900.db2.gz PDANEQIVQZVQCX-GOSISDBHSA-N 1 3 312.498 2.672 20 0 DFADHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000318833431 316249965 /nfs/dbraw/zinc/24/99/65/316249965.db2.gz XYWWUFMNUPYQFF-KRWDZBQOSA-N 1 3 301.478 2.975 20 0 DFADHO C[NH+](C)Cc1ccc(NC(=O)[C@H](N)CC2CCCCC2)cc1 ZINC000319585194 316251367 /nfs/dbraw/zinc/25/13/67/316251367.db2.gz STEMOINLFQPZRJ-QGZVFWFLSA-N 1 3 303.450 2.984 20 0 DFADHO [NH3+][C@@H](CCC(=O)N1CC[C@H](N2CCCCC2)C1)c1ccccc1 ZINC000321394264 316256429 /nfs/dbraw/zinc/25/64/29/316256429.db2.gz OZNVQGFJCWYIST-ROUUACIJSA-N 1 3 315.461 2.553 20 0 DFADHO CN1CC[C@@H](c2nc(-c3ccccc3C[NH+]3CCCC3)no2)C1 ZINC000349925230 316370974 /nfs/dbraw/zinc/37/09/74/316370974.db2.gz CACNRGSPQBEUSO-OAHLLOKOSA-N 1 3 312.417 2.752 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000414502812 316612871 /nfs/dbraw/zinc/61/28/71/316612871.db2.gz VDMQOICCOFIFIF-NVXWUHKLSA-N 1 3 319.518 2.812 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@@H]2CN)cc1O ZINC000414806441 316663359 /nfs/dbraw/zinc/66/33/59/316663359.db2.gz QHQGDRKHSCXGNS-IMJJTQAJSA-N 1 3 306.450 2.829 20 0 DFADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCOCCN(C)C ZINC000421834548 316772026 /nfs/dbraw/zinc/77/20/26/316772026.db2.gz CHYJKVAVGZSMER-LBPRGKRZSA-N 1 3 302.821 2.578 20 0 DFADHO C[N@H+](CCCCNCc1ccc(Br)cn1)C1CC1 ZINC000453595020 317192645 /nfs/dbraw/zinc/19/26/45/317192645.db2.gz JRKIFKXDQVJLPW-UHFFFAOYSA-N 1 3 312.255 2.808 20 0 DFADHO C[N@@H+](CCCCNCc1ccc(Br)cn1)C1CC1 ZINC000453595020 317192648 /nfs/dbraw/zinc/19/26/48/317192648.db2.gz JRKIFKXDQVJLPW-UHFFFAOYSA-N 1 3 312.255 2.808 20 0 DFADHO COc1cccc([C@@H](C)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530243005 317778311 /nfs/dbraw/zinc/77/83/11/317778311.db2.gz WFHDIWSTLWHLGX-DNVCBOLYSA-N 1 3 318.461 2.847 20 0 DFADHO COc1cccc([C@@H](C)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530243004 317778442 /nfs/dbraw/zinc/77/84/42/317778442.db2.gz WFHDIWSTLWHLGX-BEFAXECRSA-N 1 3 318.461 2.847 20 0 DFADHO C[C@@H]1CCC[N@H+](CCNCCC(=O)Nc2cccc(Cl)c2)C1 ZINC000574711346 318035476 /nfs/dbraw/zinc/03/54/76/318035476.db2.gz NHVQVWHIWHKBOD-CQSZACIVSA-N 1 3 323.868 2.990 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCNCCC(=O)Nc2cccc(Cl)c2)C1 ZINC000574711346 318035478 /nfs/dbraw/zinc/03/54/78/318035478.db2.gz NHVQVWHIWHKBOD-CQSZACIVSA-N 1 3 323.868 2.990 20 0 DFADHO COc1ccc(C[C@H](C)CN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000575059146 318060078 /nfs/dbraw/zinc/06/00/78/318060078.db2.gz HWVKVNPNJILHJN-CWRNSKLLSA-N 1 3 306.425 2.554 20 0 DFADHO C[C@@H](CCc1ccco1)[NH2+]Cc1ccncc1OCCN(C)C ZINC000575158086 318067585 /nfs/dbraw/zinc/06/75/85/318067585.db2.gz UMPBMVQYHYPARE-HNNXBMFYSA-N 1 3 317.433 2.726 20 0 DFADHO C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)[C@H]1CCCNC1 ZINC000576695371 318143591 /nfs/dbraw/zinc/14/35/91/318143591.db2.gz MAHSDHWIXDFYRP-KBPBESRZSA-N 1 3 303.425 2.838 20 0 DFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)[NH+]1CCC(C)CC1 ZINC000576728651 318146291 /nfs/dbraw/zinc/14/62/91/318146291.db2.gz REZMXYIDVFPKEN-AWEZNQCLSA-N 1 3 316.449 2.532 20 0 DFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000577364546 318188075 /nfs/dbraw/zinc/18/80/75/318188075.db2.gz JJMVQMJVUOFRMD-KRWDZBQOSA-N 1 3 316.449 2.676 20 0 DFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000577364546 318188077 /nfs/dbraw/zinc/18/80/77/318188077.db2.gz JJMVQMJVUOFRMD-KRWDZBQOSA-N 1 3 316.449 2.676 20 0 DFADHO COCC[C@H]1CCCC[N@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000577499211 318197559 /nfs/dbraw/zinc/19/75/59/318197559.db2.gz PQKQEPKYBODUFQ-MRXNPFEDSA-N 1 3 302.462 2.971 20 0 DFADHO COCC[C@H]1CCCC[N@@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000577499211 318197560 /nfs/dbraw/zinc/19/75/60/318197560.db2.gz PQKQEPKYBODUFQ-MRXNPFEDSA-N 1 3 302.462 2.971 20 0 DFADHO CN(C)Cc1ccccc1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000577784935 318216779 /nfs/dbraw/zinc/21/67/79/318216779.db2.gz MCJAJGFRZQBCPX-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO CN(C)Cc1ccccc1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000577784935 318216780 /nfs/dbraw/zinc/21/67/80/318216780.db2.gz MCJAJGFRZQBCPX-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO COc1ccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)c(C)c1 ZINC000578045053 318234337 /nfs/dbraw/zinc/23/43/37/318234337.db2.gz PRGXUSKMJQFPRR-KRWDZBQOSA-N 1 3 319.493 2.682 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000578232248 318246956 /nfs/dbraw/zinc/24/69/56/318246956.db2.gz MVSHZASUQCKIRB-HKUYNNGSSA-N 1 3 322.468 2.687 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000578232248 318246958 /nfs/dbraw/zinc/24/69/58/318246958.db2.gz MVSHZASUQCKIRB-HKUYNNGSSA-N 1 3 322.468 2.687 20 0 DFADHO COc1cc(F)c(CNCC2(C)CC[NH+](C)CC2)cc1OC ZINC000578754518 318283048 /nfs/dbraw/zinc/28/30/48/318283048.db2.gz ARLLHESMCSGSLM-UHFFFAOYSA-N 1 3 310.413 2.664 20 0 DFADHO NC[C@H]([NH2+][C@H]1CCN[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000578858301 318290169 /nfs/dbraw/zinc/29/01/69/318290169.db2.gz IABLDBMDVVYPKV-FHWLQOOXSA-N 1 3 301.478 2.977 20 0 DFADHO CCc1cccc(OCCN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000579123810 318309135 /nfs/dbraw/zinc/30/91/35/318309135.db2.gz WNNZUHIZRNJWJC-SFHVURJKSA-N 1 3 302.462 2.949 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(NC(=O)C2CCC2)c1 ZINC000579580773 318340118 /nfs/dbraw/zinc/34/01/18/318340118.db2.gz HUYXQHKKEBCZCO-DOTOQJQBSA-N 1 3 301.434 2.642 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCCNC2)c(C)c1 ZINC000579928542 318363773 /nfs/dbraw/zinc/36/37/73/318363773.db2.gz LCWJRCBLUVYINN-HOTGVXAUSA-N 1 3 303.450 2.752 20 0 DFADHO Brc1ccsc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000379839688 323290561 /nfs/dbraw/zinc/29/05/61/323290561.db2.gz GEROPTDBIATLFP-PHIMTYICSA-N 1 3 315.280 2.942 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381753635 323294987 /nfs/dbraw/zinc/29/49/87/323294987.db2.gz CMKBTOMMRCJRCF-DFQSSKMNSA-N 1 3 315.505 2.828 20 0 DFADHO CCCN(CCN[C@H]1CC[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000382842209 323303399 /nfs/dbraw/zinc/30/33/99/323303399.db2.gz WFLKPCIRMMRURK-CABCVRRESA-N 1 3 313.486 2.563 20 0 DFADHO CCCN(CCN[C@H]1CC[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000382842209 323303402 /nfs/dbraw/zinc/30/34/02/323303402.db2.gz WFLKPCIRMMRURK-CABCVRRESA-N 1 3 313.486 2.563 20 0 DFADHO Brc1csc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000384041756 323305507 /nfs/dbraw/zinc/30/55/07/323305507.db2.gz QIIAJDPWQLJLAE-PHIMTYICSA-N 1 3 315.280 2.942 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000389787633 323337014 /nfs/dbraw/zinc/33/70/14/323337014.db2.gz NBHPZSXGXOVXFL-OWYHZJEWSA-N 1 3 301.478 2.614 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000389849840 323338756 /nfs/dbraw/zinc/33/87/56/323338756.db2.gz UKWYNRNXZZTZJM-PANBIXPWSA-N 1 3 313.489 2.722 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Cl)c(F)c1 ZINC000397648174 323355099 /nfs/dbraw/zinc/35/50/99/323355099.db2.gz VXGZCKVQAXETOP-NSHDSACASA-N 1 3 300.805 2.586 20 0 DFADHO NC[C@H]1c2ccccc2CCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000581312602 323505518 /nfs/dbraw/zinc/50/55/18/323505518.db2.gz YGNYTBQNJQNEEF-OALUTQOASA-N 1 3 323.440 2.551 20 0 DFADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000581357462 323511101 /nfs/dbraw/zinc/51/11/01/323511101.db2.gz VAEAIIMTKKPBBJ-QLFBSQMISA-N 1 3 300.450 2.862 20 0 DFADHO Cn1cc(-c2ccc(CN[C@H]3CCCC[C@@H]3C[NH3+])s2)cn1 ZINC000581595441 323545495 /nfs/dbraw/zinc/54/54/95/323545495.db2.gz AZUYDKQQLJHSJO-DOMZBBRYSA-N 1 3 304.463 2.756 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NCc2ccc(C[NH3+])cc2)c1 ZINC000583145266 323804053 /nfs/dbraw/zinc/80/40/53/323804053.db2.gz FWHRIZXXFAYNHD-HNNXBMFYSA-N 1 3 311.429 2.961 20 0 DFADHO Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000584285598 332212825 /nfs/dbraw/zinc/21/28/25/332212825.db2.gz RNGKXCQRHCWTRG-HOCLYGCPSA-N 1 3 300.450 2.713 20 0 DFADHO Cn1ncc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc21 ZINC000584404628 337319898 /nfs/dbraw/zinc/31/98/98/337319898.db2.gz CUJFYMQPOZTUOC-KZNAEPCWSA-N 1 3 312.461 2.974 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000584468552 337344658 /nfs/dbraw/zinc/34/46/58/337344658.db2.gz XHGADTKJGJJYSH-KKUMJFAQSA-N 1 3 320.481 2.541 20 0 DFADHO COc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1OC(F)F ZINC000414924313 518152514 /nfs/dbraw/zinc/15/25/14/518152514.db2.gz JTDBRDKYPCLGPY-NWDGAFQWSA-N 1 3 300.349 2.656 20 0 DFADHO C(C[NH2+]C1CCN(C2CCCCC2)CC1)COC[C@H]1CCCO1 ZINC000163462303 518391857 /nfs/dbraw/zinc/39/18/57/518391857.db2.gz QUMRODQCMVTIJL-LJQANCHMSA-N 1 3 324.509 2.959 20 0 DFADHO C(CNC1CC[NH+](C2CCCCC2)CC1)COC[C@H]1CCCO1 ZINC000163462303 518391864 /nfs/dbraw/zinc/39/18/64/518391864.db2.gz QUMRODQCMVTIJL-LJQANCHMSA-N 1 3 324.509 2.959 20 0 DFADHO CC(C)c1ccc([C@@H](N)CNC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000154523226 519839293 /nfs/dbraw/zinc/83/92/93/519839293.db2.gz ZEYMDFMXJHYWEJ-SFHVURJKSA-N 1 3 317.477 2.706 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H]3CCO[C@H](C4CC4)C3)CC2)ccn1 ZINC000297611491 534469564 /nfs/dbraw/zinc/46/95/64/534469564.db2.gz KPGRIRWHBFIWGH-AEFFLSMTSA-N 1 3 301.434 2.598 20 0 DFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(CN(C)C)c1 ZINC000156435863 523024267 /nfs/dbraw/zinc/02/42/67/523024267.db2.gz LVOPQHFTZUGAEH-SFHVURJKSA-N 1 3 317.477 2.743 20 0 DFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(CN(C)C)c1 ZINC000156435863 523024279 /nfs/dbraw/zinc/02/42/79/523024279.db2.gz LVOPQHFTZUGAEH-SFHVURJKSA-N 1 3 317.477 2.743 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000367614689 523989054 /nfs/dbraw/zinc/98/90/54/523989054.db2.gz IUQWOHRZBXVVSU-SQNIBIBYSA-N 1 3 314.477 2.644 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc(N3CCCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000367614689 523989057 /nfs/dbraw/zinc/98/90/57/523989057.db2.gz IUQWOHRZBXVVSU-SQNIBIBYSA-N 1 3 314.477 2.644 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000367614689 523989058 /nfs/dbraw/zinc/98/90/58/523989058.db2.gz IUQWOHRZBXVVSU-SQNIBIBYSA-N 1 3 314.477 2.644 20 0 DFADHO Cc1cccc(CC[C@@H](C)[NH2+]CCCN2CCCN(C)CC2)c1 ZINC000128385697 524365975 /nfs/dbraw/zinc/36/59/75/524365975.db2.gz CFCTYCGIJGLFFD-LJQANCHMSA-N 1 3 317.521 2.933 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(OCCN(C)C)cc1 ZINC000163308075 525482005 /nfs/dbraw/zinc/48/20/05/525482005.db2.gz OIKDPYJRFPBDAX-NUJGCVRESA-N 1 3 320.477 2.829 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc(OCCN(C)C)cc1 ZINC000163308336 525500289 /nfs/dbraw/zinc/50/02/89/525500289.db2.gz OIKDPYJRFPBDAX-RYRKJORJSA-N 1 3 320.477 2.829 20 0 DFADHO Fc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cn1 ZINC000189175308 526336930 /nfs/dbraw/zinc/33/69/30/526336930.db2.gz RZYAOFBUTQMPSE-UHFFFAOYSA-N 1 3 300.381 2.622 20 0 DFADHO CCN1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000328297751 527886595 /nfs/dbraw/zinc/88/65/95/527886595.db2.gz WQVCEHPNWLUWGJ-LWYYNNOASA-N 1 3 313.489 2.581 20 0 DFADHO CC(C)CNC(=[NH2+])NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000309661884 528030755 /nfs/dbraw/zinc/03/07/55/528030755.db2.gz MQBSTKGBKISVET-SFHVURJKSA-N 1 3 302.466 2.669 20 0 DFADHO CC1(C)Cc2cccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2O1 ZINC000262135737 534956951 /nfs/dbraw/zinc/95/69/51/534956951.db2.gz LXFIAUNRDHWWOW-USXIJHARSA-N 1 3 300.446 2.959 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C12CCOCC2 ZINC000249034910 535409129 /nfs/dbraw/zinc/40/91/29/535409129.db2.gz TXBQMSOKKWMWIX-KZNAEPCWSA-N 1 3 324.509 2.671 20 0 DFADHO CC[NH2+]CC1CCN(CCOc2ccccc2OCC)CC1 ZINC000262068249 535458642 /nfs/dbraw/zinc/45/86/42/535458642.db2.gz FUATUSCFMCZZDI-UHFFFAOYSA-N 1 3 306.450 2.786 20 0 DFADHO CCC[C@@](C)(N)C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000262136650 535528580 /nfs/dbraw/zinc/52/85/80/535528580.db2.gz OASODSNIUYLWAR-PKOBYXMFSA-N 1 3 319.493 2.573 20 0 DFADHO CN(C)CCOc1cccc(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000261668950 535913268 /nfs/dbraw/zinc/91/32/68/535913268.db2.gz HAPOHUNFOXXFFV-GUDVDZBRSA-N 1 3 317.477 2.960 20 0 DFADHO CN(C)Cc1cccc(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000361401078 536025146 /nfs/dbraw/zinc/02/51/46/536025146.db2.gz VFMFIOOIEBTFOV-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO CN1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000683690292 546075560 /nfs/dbraw/zinc/07/55/60/546075560.db2.gz GHSWXHAGRUUNRO-YSTOQKLRSA-N 1 3 313.489 2.866 20 0 DFADHO CN1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683690292 546075563 /nfs/dbraw/zinc/07/55/63/546075563.db2.gz GHSWXHAGRUUNRO-YSTOQKLRSA-N 1 3 313.489 2.866 20 0 DFADHO CN1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683690292 546075566 /nfs/dbraw/zinc/07/55/66/546075566.db2.gz GHSWXHAGRUUNRO-YSTOQKLRSA-N 1 3 313.489 2.866 20 0 DFADHO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000684149279 546158854 /nfs/dbraw/zinc/15/88/54/546158854.db2.gz WPZAFDGKTZWLBY-WMZOPIPTSA-N 1 3 320.477 2.752 20 0 DFADHO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000684149279 546158857 /nfs/dbraw/zinc/15/88/57/546158857.db2.gz WPZAFDGKTZWLBY-WMZOPIPTSA-N 1 3 320.477 2.752 20 0 DFADHO CO[C@@H](C)CN(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685447467 546351551 /nfs/dbraw/zinc/35/15/51/546351551.db2.gz BAPBTQURRUCSDQ-INIZCTEOSA-N 1 3 306.450 2.628 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@]2(C)CCCO)cc1 ZINC000685463806 546355081 /nfs/dbraw/zinc/35/50/81/546355081.db2.gz BMVKCBNXSFTRDQ-LJQANCHMSA-N 1 3 320.477 2.754 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@]2(C)CCCO)cc1 ZINC000685463806 546355085 /nfs/dbraw/zinc/35/50/85/546355085.db2.gz BMVKCBNXSFTRDQ-LJQANCHMSA-N 1 3 320.477 2.754 20 0 DFADHO CCc1nc2ccccc2c(N2CCC([NH2+]CCO)CC2)c1C ZINC000685913516 546408575 /nfs/dbraw/zinc/40/85/75/546408575.db2.gz FNHDTBCGMVWTMF-UHFFFAOYSA-N 1 3 313.445 2.656 20 0 DFADHO C[NH+](C)CCOCCN[C@@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000353595357 282108075 /nfs/dbraw/zinc/10/80/75/282108075.db2.gz JQZZRRGWLQWWJQ-ROUUACIJSA-N 1 3 324.440 2.604 20 0 DFADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278435637 214152013 /nfs/dbraw/zinc/15/20/13/214152013.db2.gz HDUXAQDXUXJLMV-CVEARBPZSA-N 1 3 318.461 2.773 20 0 DFADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278435637 214152014 /nfs/dbraw/zinc/15/20/14/214152014.db2.gz HDUXAQDXUXJLMV-CVEARBPZSA-N 1 3 318.461 2.773 20 0 DFADHO COc1cccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000278463782 214170602 /nfs/dbraw/zinc/17/06/02/214170602.db2.gz JFTIWMCTUJHPCM-HZPDHXFCSA-N 1 3 306.450 2.847 20 0 DFADHO COc1cccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000278463782 214170604 /nfs/dbraw/zinc/17/06/04/214170604.db2.gz JFTIWMCTUJHPCM-HZPDHXFCSA-N 1 3 306.450 2.847 20 0 DFADHO CN(C)CCOc1ccc(CC[NH2+]C[C@@H]2CCSC2)cc1 ZINC000278531786 214216798 /nfs/dbraw/zinc/21/67/98/214216798.db2.gz RTRSNZDYGQWEJA-INIZCTEOSA-N 1 3 308.491 2.512 20 0 DFADHO CCN(CC)[C@@H](C)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000078880628 185121999 /nfs/dbraw/zinc/12/19/99/185121999.db2.gz VDNVYBCNGGOJNP-KRWDZBQOSA-N 1 3 303.494 2.971 20 0 DFADHO C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N(C)C ZINC000278624042 214283041 /nfs/dbraw/zinc/28/30/41/214283041.db2.gz GLBOTTQYLKHEDJ-OWYHZJEWSA-N 1 3 301.478 2.722 20 0 DFADHO Cc1nccn1[C@@H]1CCCN([C@@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905706 398348352 /nfs/dbraw/zinc/34/83/52/398348352.db2.gz GXUUTXHFZXLTKB-DOTOQJQBSA-N 1 3 320.481 2.862 20 0 DFADHO CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000066124833 398357952 /nfs/dbraw/zinc/35/79/52/398357952.db2.gz NOSBEWQGSRXLIS-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000066124833 398357954 /nfs/dbraw/zinc/35/79/54/398357954.db2.gz NOSBEWQGSRXLIS-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO Cc1nccn1[C@@H]1CCCN([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906430 398349560 /nfs/dbraw/zinc/34/95/60/398349560.db2.gz OFYKQWSGQXNCAV-DOTOQJQBSA-N 1 3 318.465 2.620 20 0 DFADHO Cc1ccn2c(CN3CCC(CC[NH+](C)C)CC3)cnc2c1 ZINC000092381091 185314806 /nfs/dbraw/zinc/31/48/06/185314806.db2.gz NPHOACMFFOSBRP-UHFFFAOYSA-N 1 3 300.450 2.806 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2sc(CCOC)nc2C)C1 ZINC000092739767 185337969 /nfs/dbraw/zinc/33/79/69/185337969.db2.gz RQYJVYBRSQEGGZ-JSGCOSHPSA-N 1 3 311.495 2.633 20 0 DFADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@H](O)Cc1ccc(F)cc1 ZINC000292852390 529931763 /nfs/dbraw/zinc/93/17/63/529931763.db2.gz QSGUXISTZOETBJ-QZTJIDSGSA-N 1 3 308.441 2.535 20 0 DFADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@H](O)Cc1ccc(F)cc1 ZINC000292852390 529931764 /nfs/dbraw/zinc/93/17/64/529931764.db2.gz QSGUXISTZOETBJ-QZTJIDSGSA-N 1 3 308.441 2.535 20 0 DFADHO C[C@@H](C(=O)NC[C@H](c1ccccc1)N(C)C)[NH+]1CCCCCC1 ZINC000025408047 398440773 /nfs/dbraw/zinc/44/07/73/398440773.db2.gz ZISWFZPRJGAMCP-FUHWJXTLSA-N 1 3 317.477 2.670 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@@H]1SC ZINC000459434214 299105580 /nfs/dbraw/zinc/10/55/80/299105580.db2.gz HJIGLBNMBVUZQM-ZACQAIPSSA-N 1 3 312.523 2.892 20 0 DFADHO CC1(C)[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000459435281 299106504 /nfs/dbraw/zinc/10/65/04/299106504.db2.gz XJTJGMFJPKJQMI-RCCFBDPRSA-N 1 3 315.461 2.844 20 0 DFADHO Cn1c2ccccc2nc1CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090050154 398476380 /nfs/dbraw/zinc/47/63/80/398476380.db2.gz REULPLBSXZOQOR-JKSUJKDBSA-N 1 3 312.461 2.722 20 0 DFADHO Cn1c2ccccc2nc1CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090050154 398476382 /nfs/dbraw/zinc/47/63/82/398476382.db2.gz REULPLBSXZOQOR-JKSUJKDBSA-N 1 3 312.461 2.722 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1cccc(-c2cnn(C)c2)c1 ZINC000090920328 398497566 /nfs/dbraw/zinc/49/75/66/398497566.db2.gz YPFZWLHXZBSCED-CLCXKQKWSA-N 1 3 312.461 2.905 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cccc(-c2cnn(C)c2)c1 ZINC000090920328 398497570 /nfs/dbraw/zinc/49/75/70/398497570.db2.gz YPFZWLHXZBSCED-CLCXKQKWSA-N 1 3 312.461 2.905 20 0 DFADHO CN1CCN(CC[NH2+]C2CC(C)(c3ccccc3)C2)CC1(C)C ZINC000459528746 299126720 /nfs/dbraw/zinc/12/67/20/299126720.db2.gz LLZIEVFYYHULFY-UHFFFAOYSA-N 1 3 315.505 2.722 20 0 DFADHO FC(F)O[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459528450 299126743 /nfs/dbraw/zinc/12/67/43/299126743.db2.gz CFIZEDLPHZSYPZ-HUUCEWRRSA-N 1 3 311.376 2.800 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cncc(C)c2)[C@H](C)C1 ZINC000181834268 199358939 /nfs/dbraw/zinc/35/89/39/199358939.db2.gz RZPKWAIMSBLXCG-AEFFLSMTSA-N 1 3 305.466 2.617 20 0 DFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@H]1C[C@H]1C ZINC000414116830 295768878 /nfs/dbraw/zinc/76/88/78/295768878.db2.gz RMCWCIFIWJTVMH-CLCXKQKWSA-N 1 3 302.462 2.777 20 0 DFADHO CC[C@H]([NH2+]Cc1ccncc1OCCN(C)C)[C@H]1CC1(C)C ZINC000414165580 295773497 /nfs/dbraw/zinc/77/34/97/295773497.db2.gz PXEKOQBPJNOMDG-CVEARBPZSA-N 1 3 305.466 2.936 20 0 DFADHO CCOC(=O)c1ccc(CNCC2CC[NH+](CC3CC3)CC2)o1 ZINC000597248478 398606457 /nfs/dbraw/zinc/60/64/57/398606457.db2.gz XKIRSABNQFNFCK-UHFFFAOYSA-N 1 3 320.433 2.668 20 0 DFADHO OCCCC[NH2+][C@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000194226193 186270563 /nfs/dbraw/zinc/27/05/63/186270563.db2.gz WIJMHSOQMFLVGN-QRVBRYPASA-N 1 3 302.462 2.649 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(OCCN(C)C)cc1 ZINC000188041247 186248630 /nfs/dbraw/zinc/24/86/30/186248630.db2.gz HTACPYMTRKDKFY-WDYCEAGBSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@@H]1C[C@@H](NC(=O)CCCCCC[NH3+])CN1Cc1ccccc1 ZINC000237507007 186298775 /nfs/dbraw/zinc/29/87/75/186298775.db2.gz UXZZMEKYUTWUKY-SJLPKXTDSA-N 1 3 317.477 2.675 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414857134 295827051 /nfs/dbraw/zinc/82/70/51/295827051.db2.gz OYFITJZTHZDWGO-MCIONIFRSA-N 1 3 307.413 2.521 20 0 DFADHO C[C@@H](C[NH3+])CNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414870202 295828649 /nfs/dbraw/zinc/82/86/49/295828649.db2.gz BNCFJFZYRAEIKR-NSHDSACASA-N 1 3 312.339 2.576 20 0 DFADHO CSC1(CNCc2cc3cnccc3o2)CC[NH+](C)CC1 ZINC000593630078 398664100 /nfs/dbraw/zinc/66/41/00/398664100.db2.gz IRMJFBSTOIPYIX-UHFFFAOYSA-N 1 3 305.447 2.745 20 0 DFADHO Cc1nc(COc2ccc(CN[C@H](C)CC[NH3+])cc2)cs1 ZINC000414898868 295832034 /nfs/dbraw/zinc/83/20/34/295832034.db2.gz UEXSHQITGPYVKA-GFCCVEGCSA-N 1 3 305.447 2.857 20 0 DFADHO C[C@H](CC[NH3+])NCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414901099 295832301 /nfs/dbraw/zinc/83/23/01/295832301.db2.gz WUNBYQBTWGCMDK-SNVBAGLBSA-N 1 3 312.339 2.922 20 0 DFADHO CC1(CNCc2c(F)cccc2N2CCCC2)CC[NH2+]CC1 ZINC000414900475 295832307 /nfs/dbraw/zinc/83/23/07/295832307.db2.gz HMFWUDOCBJVFLO-UHFFFAOYSA-N 1 3 305.441 2.905 20 0 DFADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000590786828 398673926 /nfs/dbraw/zinc/67/39/26/398673926.db2.gz OAMSBUJZJXIPIR-KRWDZBQOSA-N 1 3 323.525 2.830 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000590786828 398673928 /nfs/dbraw/zinc/67/39/28/398673928.db2.gz OAMSBUJZJXIPIR-KRWDZBQOSA-N 1 3 323.525 2.830 20 0 DFADHO Cn1c2ccc(Cl)cc2nc1CNC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414994873 295845059 /nfs/dbraw/zinc/84/50/59/295845059.db2.gz DXSCVJVTESRERD-DGCLKSJQSA-N 1 3 306.841 2.834 20 0 DFADHO CCC[NH+]1CCC(NCCn2c(C)nc3ccccc32)CC1 ZINC000102546547 398678538 /nfs/dbraw/zinc/67/85/38/398678538.db2.gz ALZMXIPIKOMMRC-UHFFFAOYSA-N 1 3 300.450 2.809 20 0 DFADHO C[C@H](CCC[NH3+])NCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000415021158 295847849 /nfs/dbraw/zinc/84/78/49/295847849.db2.gz JYYUYPFMXSSCPF-SNVBAGLBSA-N 1 3 314.355 2.809 20 0 DFADHO CCOC(=O)CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000173490337 198220394 /nfs/dbraw/zinc/22/03/94/198220394.db2.gz SWKCTRSRFGAUIX-AEFFLSMTSA-N 1 3 318.461 2.925 20 0 DFADHO CCOC(=O)CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000173490337 198220395 /nfs/dbraw/zinc/22/03/95/198220395.db2.gz SWKCTRSRFGAUIX-AEFFLSMTSA-N 1 3 318.461 2.925 20 0 DFADHO C[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1)[C@@H]1CC[NH2+]C1 ZINC000415090811 295856768 /nfs/dbraw/zinc/85/67/68/295856768.db2.gz ZQIJZSGEBUBFDR-RRFJBIMHSA-N 1 3 307.869 2.896 20 0 DFADHO C[C@]1(CNCCc2ccccc2OC(F)(F)F)CC[NH2+]C1 ZINC000415089325 295856440 /nfs/dbraw/zinc/85/64/40/295856440.db2.gz WFCQHXRUDSPZMO-CQSZACIVSA-N 1 3 302.340 2.717 20 0 DFADHO Fc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173953233 198271824 /nfs/dbraw/zinc/27/18/24/198271824.db2.gz AGJIBXHHVZTFTK-UHFFFAOYSA-N 1 3 306.425 2.903 20 0 DFADHO C[C@H](NCCCc1nc(-c2ccncc2)cs1)[C@@H]1CC[NH2+]C1 ZINC000415084385 295855937 /nfs/dbraw/zinc/85/59/37/295855937.db2.gz PAXNCELXSJYALV-DZGCQCFKSA-N 1 3 316.474 2.725 20 0 DFADHO Cc1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1F ZINC000415111238 295859500 /nfs/dbraw/zinc/85/95/00/295859500.db2.gz QJFJVJPOZLGQMW-ROUUACIJSA-N 1 3 306.425 2.852 20 0 DFADHO COCc1cccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000174315847 198318686 /nfs/dbraw/zinc/31/86/86/198318686.db2.gz ZFOHJYLACICPTO-IAGOWNOFSA-N 1 3 320.477 2.812 20 0 DFADHO Clc1ccc(-c2ccc(CNCCN3CC[NH2+]CC3)o2)cc1 ZINC000106950874 398701265 /nfs/dbraw/zinc/70/12/65/398701265.db2.gz AYPMEKPAVFJXDY-UHFFFAOYSA-N 1 3 319.836 2.595 20 0 DFADHO Cc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1F ZINC000415121219 295860941 /nfs/dbraw/zinc/86/09/41/295860941.db2.gz HRUDVRZOGSVMMT-WMZOPIPTSA-N 1 3 306.425 2.852 20 0 DFADHO [NH3+]CC1(O)CCN(Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000415144619 295864467 /nfs/dbraw/zinc/86/44/67/295864467.db2.gz UXIMGFLRYGGWFP-UHFFFAOYSA-N 1 3 320.433 2.840 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000174772385 198382200 /nfs/dbraw/zinc/38/22/00/198382200.db2.gz DJOXYJKVXMNMMN-CRAIPNDOSA-N 1 3 306.450 2.736 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000174772385 198382202 /nfs/dbraw/zinc/38/22/02/198382202.db2.gz DJOXYJKVXMNMMN-CRAIPNDOSA-N 1 3 306.450 2.736 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000236758298 201996075 /nfs/dbraw/zinc/99/60/75/201996075.db2.gz OCGWGRDSGLABOX-QAPCUYQASA-N 1 3 317.477 2.703 20 0 DFADHO CCC(CC)(C[NH3+])NC(=O)c1cccc(CN2CCCC2)c1 ZINC000236804234 202017884 /nfs/dbraw/zinc/01/78/84/202017884.db2.gz YHQAGHNHLOFWGE-UHFFFAOYSA-N 1 3 303.450 2.530 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129278644 283008872 /nfs/dbraw/zinc/00/88/72/283008872.db2.gz WVUKVMGNLSSCPN-LSDHHAIUSA-N 1 3 321.431 2.725 20 0 DFADHO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000415994136 295909718 /nfs/dbraw/zinc/90/97/18/295909718.db2.gz HAPFRYKTKVTVJP-UHFFFAOYSA-N 1 3 316.449 2.628 20 0 DFADHO O=C(NCCCCC[NH+]1CCCC1)Nc1ccc2c(c1)CNC2 ZINC000416020899 295912085 /nfs/dbraw/zinc/91/20/85/295912085.db2.gz YCUAOIFYUGSMLV-UHFFFAOYSA-N 1 3 316.449 2.677 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](N)c1ccccc1)CC(C)C ZINC000236823688 202027329 /nfs/dbraw/zinc/02/73/29/202027329.db2.gz YMZXUJDFVGSZMY-QZTJIDSGSA-N 1 3 319.493 2.949 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)c1ccsc1 ZINC000236827339 202028102 /nfs/dbraw/zinc/02/81/02/202028102.db2.gz OONBABNIHFNMSO-GJZGRUSLSA-N 1 3 311.495 2.621 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000236880731 202049324 /nfs/dbraw/zinc/04/93/24/202049324.db2.gz DBQTYNSWFNEIHO-KZNAEPCWSA-N 1 3 317.477 2.703 20 0 DFADHO CC[NH+](CC)Cc1ccc(CNC(=O)C2(N)CCCCC2)cc1 ZINC000236916898 202070322 /nfs/dbraw/zinc/07/03/22/202070322.db2.gz MCJFBJGQEWKLQJ-UHFFFAOYSA-N 1 3 317.477 2.806 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000237043050 202132018 /nfs/dbraw/zinc/13/20/18/202132018.db2.gz QRLOKGSBZVYCIA-XYJFISCASA-N 1 3 323.525 2.863 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000237043050 202132021 /nfs/dbraw/zinc/13/20/21/202132021.db2.gz QRLOKGSBZVYCIA-XYJFISCASA-N 1 3 323.525 2.863 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000237084969 202148626 /nfs/dbraw/zinc/14/86/26/202148626.db2.gz LUSUVNZPGMJHRE-MAUKXSAKSA-N 1 3 317.477 2.662 20 0 DFADHO CC(C)OC(=O)CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000075625728 398814006 /nfs/dbraw/zinc/81/40/06/398814006.db2.gz BSDYMOFPZROCNE-UHFFFAOYSA-N 1 3 310.482 2.916 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)CN(C)C)CCC2 ZINC000594524482 398816346 /nfs/dbraw/zinc/81/63/46/398816346.db2.gz QPAMCJBAUHFLFG-GUYCJALGSA-N 1 3 304.434 2.638 20 0 DFADHO COC[C@@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000180180686 199127463 /nfs/dbraw/zinc/12/74/63/199127463.db2.gz SAEUNOXVGQXAMS-VNTMZGSJSA-N 1 3 314.473 2.912 20 0 DFADHO COC[C@H]([NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000180180704 199127771 /nfs/dbraw/zinc/12/77/71/199127771.db2.gz SAEUNOXVGQXAMS-MUGJNUQGSA-N 1 3 314.473 2.912 20 0 DFADHO COc1cc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)ccc1F ZINC000152833666 283341702 /nfs/dbraw/zinc/34/17/02/283341702.db2.gz BIVSBBDISDJTJA-CQSZACIVSA-N 1 3 323.456 2.511 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000152892244 283343930 /nfs/dbraw/zinc/34/39/30/283343930.db2.gz MXEHXWGFFGLVAO-OAHLLOKOSA-N 1 3 323.456 2.513 20 0 DFADHO C[NH+]1CCC(N2CCC(NC(=O)C3(C)CCCCC3)CC2)CC1 ZINC000131507977 398851472 /nfs/dbraw/zinc/85/14/72/398851472.db2.gz BXNAQMPZRCIHAQ-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]CCCc2nccs2)cc1 ZINC000076892312 398874193 /nfs/dbraw/zinc/87/41/93/398874193.db2.gz AJELGQTXMNWUTK-UHFFFAOYSA-N 1 3 319.474 2.806 20 0 DFADHO CC[NH+]1CCC(CNC(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000139382403 398882940 /nfs/dbraw/zinc/88/29/40/398882940.db2.gz DMGIRINUKWUESO-UHFFFAOYSA-N 1 3 318.465 2.602 20 0 DFADHO CC(C)(C)OC(=O)C1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000594993072 398887951 /nfs/dbraw/zinc/88/79/51/398887951.db2.gz ADMVDZYHAVZFCB-CABCVRRESA-N 1 3 308.466 2.715 20 0 DFADHO CC(C)(C)OC(=O)C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000594993072 398887953 /nfs/dbraw/zinc/88/79/53/398887953.db2.gz ADMVDZYHAVZFCB-CABCVRRESA-N 1 3 308.466 2.715 20 0 DFADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)C1CCSCC1 ZINC000187101119 299290838 /nfs/dbraw/zinc/29/08/38/299290838.db2.gz FYKVXWGFWMCCDS-JYJNAYRXSA-N 1 3 314.539 2.997 20 0 DFADHO COC(=O)CC1CCC([NH2+]C[C@@H](C)CN2CCCCC2)CC1 ZINC000599023135 398909378 /nfs/dbraw/zinc/90/93/78/398909378.db2.gz BTBHCYWLAIESCG-KLAILNCOSA-N 1 3 310.482 2.820 20 0 DFADHO C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000370633506 295999942 /nfs/dbraw/zinc/99/99/42/295999942.db2.gz HHUBBTRWZMMKBF-GJZGRUSLSA-N 1 3 313.555 2.665 20 0 DFADHO CN(C[C@H](O)C[N@H+](C)C[C@H]1CC=CCC1)C[C@@H]1CC=CCC1 ZINC000447302070 297300013 /nfs/dbraw/zinc/30/00/13/297300013.db2.gz OHPXUUDSOFCCOO-BWTSREIZSA-N 1 3 306.494 2.924 20 0 DFADHO CN(C[C@H](O)C[N@@H+](C)C[C@H]1CC=CCC1)C[C@@H]1CC=CCC1 ZINC000447302070 297300015 /nfs/dbraw/zinc/30/00/15/297300015.db2.gz OHPXUUDSOFCCOO-BWTSREIZSA-N 1 3 306.494 2.924 20 0 DFADHO CN(C)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000417353030 296013120 /nfs/dbraw/zinc/01/31/20/296013120.db2.gz HUFLRYCNFIYIJO-LDLYASANSA-N 1 3 313.489 2.866 20 0 DFADHO CN(C)C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000417353030 296013121 /nfs/dbraw/zinc/01/31/21/296013121.db2.gz HUFLRYCNFIYIJO-LDLYASANSA-N 1 3 313.489 2.866 20 0 DFADHO CN(C)C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000417353030 296013122 /nfs/dbraw/zinc/01/31/22/296013122.db2.gz HUFLRYCNFIYIJO-LDLYASANSA-N 1 3 313.489 2.866 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000417399574 296017015 /nfs/dbraw/zinc/01/70/15/296017015.db2.gz ILNOOIMMGNRGGH-UHZRXMQZSA-N 1 3 314.473 2.933 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000417399574 296017016 /nfs/dbraw/zinc/01/70/16/296017016.db2.gz ILNOOIMMGNRGGH-UHZRXMQZSA-N 1 3 314.473 2.933 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000417399572 296016915 /nfs/dbraw/zinc/01/69/15/296016915.db2.gz ILNOOIMMGNRGGH-UEDWAMCQSA-N 1 3 314.473 2.933 20 0 DFADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000417399572 296016916 /nfs/dbraw/zinc/01/69/16/296016916.db2.gz ILNOOIMMGNRGGH-UEDWAMCQSA-N 1 3 314.473 2.933 20 0 DFADHO C[C@@H]([NH3+])CCC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000193302857 296017495 /nfs/dbraw/zinc/01/74/95/296017495.db2.gz LKEUCXBUTCSDFD-AEFFLSMTSA-N 1 3 317.477 2.703 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000271910441 209316457 /nfs/dbraw/zinc/31/64/57/209316457.db2.gz XWLJELNJLWKBKB-HNNXBMFYSA-N 1 3 315.461 2.818 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000275924893 212584574 /nfs/dbraw/zinc/58/45/74/212584574.db2.gz WOVOBJFDARIDQQ-QZTJIDSGSA-N 1 3 302.462 2.543 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2=CCN(C)CC2)c1C ZINC000271894444 209302653 /nfs/dbraw/zinc/30/26/53/209302653.db2.gz SYEOCRXCWLYNKP-HNNXBMFYSA-N 1 3 315.461 2.872 20 0 DFADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC(CC[NH+](C)C)CC1 ZINC000056523453 398976484 /nfs/dbraw/zinc/97/64/84/398976484.db2.gz MMBLGZIHAGURCF-INIZCTEOSA-N 1 3 323.525 2.830 20 0 DFADHO CCN1CCN(CCC[NH2+]CCSCc2ccccc2)CC1 ZINC000193916021 201145544 /nfs/dbraw/zinc/14/55/44/201145544.db2.gz ARUIXGCRCWDFHD-UHFFFAOYSA-N 1 3 321.534 2.537 20 0 DFADHO COc1cc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)ccc1C ZINC000194322572 201201286 /nfs/dbraw/zinc/20/12/86/201201286.db2.gz CTOHZWXWKKMBGZ-KRWDZBQOSA-N 1 3 318.461 2.594 20 0 DFADHO O=C(Nc1cccc(CN2CCCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000195186338 201354828 /nfs/dbraw/zinc/35/48/28/201354828.db2.gz BQSISSBATHZJKT-MRXNPFEDSA-N 1 3 301.434 2.611 20 0 DFADHO CCOc1ccc(CNCC2=CC[N@H+](C)CC2)cc1OCC ZINC000271847176 209264650 /nfs/dbraw/zinc/26/46/50/209264650.db2.gz HBVHTQZFMXLEKA-UHFFFAOYSA-N 1 3 304.434 2.836 20 0 DFADHO CCOc1ccc(CNCC2=CC[N@@H+](C)CC2)cc1OCC ZINC000271847176 209264653 /nfs/dbraw/zinc/26/46/53/209264653.db2.gz HBVHTQZFMXLEKA-UHFFFAOYSA-N 1 3 304.434 2.836 20 0 DFADHO C[N@H+]1CC=C(CNCc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000271837695 209256614 /nfs/dbraw/zinc/25/66/14/209256614.db2.gz QETIUZCREJYSMY-UHFFFAOYSA-N 1 3 316.836 2.877 20 0 DFADHO C[N@@H+]1CC=C(CNCc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000271837695 209256615 /nfs/dbraw/zinc/25/66/15/209256615.db2.gz QETIUZCREJYSMY-UHFFFAOYSA-N 1 3 316.836 2.877 20 0 DFADHO COc1cc(C)c([C@H](C)[NH2+]CC2=CCN(C)CC2)cc1OC ZINC000271829858 209249315 /nfs/dbraw/zinc/24/93/15/209249315.db2.gz DTRKFBLKQFZELN-AWEZNQCLSA-N 1 3 304.434 2.925 20 0 DFADHO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000249031300 283761887 /nfs/dbraw/zinc/76/18/87/283761887.db2.gz LPILFVKFZVGHBD-QILLFSRXSA-N 1 3 306.450 2.845 20 0 DFADHO CC(C)[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccccc1 ZINC000091283694 193030238 /nfs/dbraw/zinc/03/02/38/193030238.db2.gz YHHNGSORLUBCMK-IBGZPJMESA-N 1 3 303.494 2.999 20 0 DFADHO CCC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccnc1 ZINC000368330024 283937023 /nfs/dbraw/zinc/93/70/23/283937023.db2.gz VIOBXJIFWIRYCZ-MJGOQNOKSA-N 1 3 316.493 2.681 20 0 DFADHO CCN(CC)CCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC000595735072 399062130 /nfs/dbraw/zinc/06/21/30/399062130.db2.gz VKANTFAMCQMWEM-ULQDDVLXSA-N 1 3 310.482 2.772 20 0 DFADHO CCN(CC)CCC[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC000595735072 399062131 /nfs/dbraw/zinc/06/21/31/399062131.db2.gz VKANTFAMCQMWEM-ULQDDVLXSA-N 1 3 310.482 2.772 20 0 DFADHO CCc1ccc([C@H](C[NH2+][C@H]2CCN(C)C[C@H]2C)N(C)C)cc1 ZINC000479856834 299384501 /nfs/dbraw/zinc/38/45/01/299384501.db2.gz ZQUSJUIYOXUYFG-MNEFBYGVSA-N 1 3 303.494 2.782 20 0 DFADHO CCc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000479856834 299384503 /nfs/dbraw/zinc/38/45/03/299384503.db2.gz ZQUSJUIYOXUYFG-MNEFBYGVSA-N 1 3 303.494 2.782 20 0 DFADHO CCc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000479856834 299384510 /nfs/dbraw/zinc/38/45/10/299384510.db2.gz ZQUSJUIYOXUYFG-MNEFBYGVSA-N 1 3 303.494 2.782 20 0 DFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cn1 ZINC000271287888 296122274 /nfs/dbraw/zinc/12/22/74/296122274.db2.gz DLOLXAWMSMEJRA-RBSFLKMASA-N 1 3 309.429 2.761 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)CC1 ZINC000337508676 284076864 /nfs/dbraw/zinc/07/68/64/284076864.db2.gz HJWUXYFUTTVXNX-LJQANCHMSA-N 1 3 313.489 2.856 20 0 DFADHO N[C@@H](CC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000261713399 203099618 /nfs/dbraw/zinc/09/96/18/203099618.db2.gz LIENFFURFPLFHP-SFHVURJKSA-N 1 3 315.461 2.553 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000262096700 203197057 /nfs/dbraw/zinc/19/70/57/203197057.db2.gz DPTPVSLBNXKFBB-MAUKXSAKSA-N 1 3 317.477 2.662 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000262096700 203197060 /nfs/dbraw/zinc/19/70/60/203197060.db2.gz DPTPVSLBNXKFBB-MAUKXSAKSA-N 1 3 317.477 2.662 20 0 DFADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262101425 203199678 /nfs/dbraw/zinc/19/96/78/203199678.db2.gz DDLUMGJIEHVIOV-NJAFHUGGSA-N 1 3 317.477 2.529 20 0 DFADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262101425 203199681 /nfs/dbraw/zinc/19/96/81/203199681.db2.gz DDLUMGJIEHVIOV-NJAFHUGGSA-N 1 3 317.477 2.529 20 0 DFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)C1(N)CCCCC1)c1ccccc1 ZINC000262642130 203361654 /nfs/dbraw/zinc/36/16/54/203361654.db2.gz LGPWVPUXDUQCQE-OAHLLOKOSA-N 1 3 317.477 2.894 20 0 DFADHO C[C@@H]([NH2+]C1(CNC(=O)C(C)(C)N)CCCC1)c1ccccc1 ZINC000262677016 203377373 /nfs/dbraw/zinc/37/73/73/203377373.db2.gz SVNRIUINERXMOB-CQSZACIVSA-N 1 3 303.450 2.504 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000093660154 193285046 /nfs/dbraw/zinc/28/50/46/193285046.db2.gz CAALWVJBPFGKJH-KRWDZBQOSA-N 1 3 313.449 2.574 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000093660154 193285048 /nfs/dbraw/zinc/28/50/48/193285048.db2.gz CAALWVJBPFGKJH-KRWDZBQOSA-N 1 3 313.449 2.574 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cc[nH]c3)CC2)C[C@@H](C)O1 ZINC000093844354 193317330 /nfs/dbraw/zinc/31/73/30/193317330.db2.gz GIBXYZQRPMCOEM-HZPDHXFCSA-N 1 3 305.466 2.726 20 0 DFADHO COC(=O)c1ccccc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901249 399128021 /nfs/dbraw/zinc/12/80/21/399128021.db2.gz TWNLELBECAIHSD-MRXNPFEDSA-N 1 3 316.445 2.685 20 0 DFADHO COC(=O)c1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000595901646 399129366 /nfs/dbraw/zinc/12/93/66/399129366.db2.gz ZMKBMAMPHGTHMK-CQSZACIVSA-N 1 3 322.474 2.746 20 0 DFADHO CCOC(=O)c1[nH]c(C)c(CN2CCC(C[NH+](C)C)CC2)c1C ZINC000600109570 399137814 /nfs/dbraw/zinc/13/78/14/399137814.db2.gz MKIATFGHOPPKAI-UHFFFAOYSA-N 1 3 321.465 2.582 20 0 DFADHO CCOc1cc2nccc(N3CC[NH2+]C[C@@H]3C)c2cc1OCC ZINC000420178428 296160580 /nfs/dbraw/zinc/16/05/80/296160580.db2.gz UKAAFCDOXOGVKX-ZDUSSCGKSA-N 1 3 315.417 2.830 20 0 DFADHO CC(C)Oc1ccc2nccc(N[C@@H](CC[NH3+])C(F)F)c2c1 ZINC000420255803 296166283 /nfs/dbraw/zinc/16/62/83/296166283.db2.gz BVURLOHEEKGFCP-HNNXBMFYSA-N 1 3 309.360 2.838 20 0 DFADHO CCCc1ccc2nccc(N3CCN([C@H]4CC[NH2+]C4)CC3)c2c1 ZINC000420267835 296167368 /nfs/dbraw/zinc/16/73/68/296167368.db2.gz WZEIILYNPBHZCL-KRWDZBQOSA-N 1 3 324.472 2.671 20 0 DFADHO C[NH+](C)CCCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000264838107 204197135 /nfs/dbraw/zinc/19/71/35/204197135.db2.gz AEAGEGRUKQUWKJ-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO CC(C)N(CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(F)cc1 ZINC000420299409 296171452 /nfs/dbraw/zinc/17/14/52/296171452.db2.gz GLIPKRLJMBAFQU-OAHLLOKOSA-N 1 3 321.440 2.864 20 0 DFADHO CCCN(CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1 ZINC000420302533 296171947 /nfs/dbraw/zinc/17/19/47/296171947.db2.gz MMXANDCPLJCVHH-CQSZACIVSA-N 1 3 323.868 2.990 20 0 DFADHO Brc1cccc2c1CN(CC[C@H]1CC[NH2+]C1)CC2 ZINC000420306561 296172465 /nfs/dbraw/zinc/17/24/65/296172465.db2.gz QKZMYPQEAUNZHG-GFCCVEGCSA-N 1 3 309.251 2.807 20 0 DFADHO CCOC(=O)CC[N@@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000420314810 296173632 /nfs/dbraw/zinc/17/36/32/296173632.db2.gz QVTVSEBKBOHBMK-ROUUACIJSA-N 1 3 318.461 2.612 20 0 DFADHO CCOC(=O)CC[N@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000420314810 296173633 /nfs/dbraw/zinc/17/36/33/296173633.db2.gz QVTVSEBKBOHBMK-ROUUACIJSA-N 1 3 318.461 2.612 20 0 DFADHO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420315120 296173739 /nfs/dbraw/zinc/17/37/39/296173739.db2.gz ZRLRVCVQJLECSW-FIRPJDEBSA-N 1 3 324.468 2.795 20 0 DFADHO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420315120 296173740 /nfs/dbraw/zinc/17/37/40/296173740.db2.gz ZRLRVCVQJLECSW-FIRPJDEBSA-N 1 3 324.468 2.795 20 0 DFADHO CCN(CCN1CC[NH2+]CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000420322288 296174722 /nfs/dbraw/zinc/17/47/22/296174722.db2.gz SKEHMPRFPOBUED-HNNXBMFYSA-N 1 3 301.434 2.721 20 0 DFADHO CSc1ccccc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420323272 296175343 /nfs/dbraw/zinc/17/53/43/296175343.db2.gz BFWFGOVVJBTQMY-WBVHZDCISA-N 1 3 306.475 2.737 20 0 DFADHO CSc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000271735134 209166898 /nfs/dbraw/zinc/16/68/98/209166898.db2.gz UZQQTWPYMDAHNC-UHFFFAOYSA-N 1 3 321.534 2.866 20 0 DFADHO CC(C)CCC[C@H](C)NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335897 296177113 /nfs/dbraw/zinc/17/71/13/296177113.db2.gz IANLZZKOLVBYLM-KSZLIROESA-N 1 3 323.525 2.639 20 0 DFADHO NC[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CC12CCOCC2 ZINC000420336663 296177028 /nfs/dbraw/zinc/17/70/28/296177028.db2.gz WCCLJPQBJKGJPK-SJLPKXTDSA-N 1 3 300.446 2.751 20 0 DFADHO NC[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CC12CCOCC2 ZINC000420336663 296177029 /nfs/dbraw/zinc/17/70/29/296177029.db2.gz WCCLJPQBJKGJPK-SJLPKXTDSA-N 1 3 300.446 2.751 20 0 DFADHO COc1cccc(OCCN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420343055 296177708 /nfs/dbraw/zinc/17/77/08/296177708.db2.gz YLEVUAHUGJUMJX-SFHVURJKSA-N 1 3 304.434 2.538 20 0 DFADHO CCc1ccc(NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420343904 296177732 /nfs/dbraw/zinc/17/77/32/296177732.db2.gz RRIGSBAQUKIVKB-DLBZAZTESA-N 1 3 315.461 2.509 20 0 DFADHO COc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(C)c1OC ZINC000342090610 284324716 /nfs/dbraw/zinc/32/47/16/284324716.db2.gz VZSKQEOTKZTXDR-CQSZACIVSA-N 1 3 304.434 2.586 20 0 DFADHO CSc1ccccc1NC(=O)CCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420395608 296185731 /nfs/dbraw/zinc/18/57/31/296185731.db2.gz DODIFRURUGGBAR-KGLIPLIRSA-N 1 3 321.490 2.654 20 0 DFADHO Cc1cccc(OCCN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420395911 296185774 /nfs/dbraw/zinc/18/57/74/296185774.db2.gz UURAAAOVKAYFEK-IEBWSBKVSA-N 1 3 318.461 2.592 20 0 DFADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NCC1CCCCC1 ZINC000420395054 296185893 /nfs/dbraw/zinc/18/58/93/296185893.db2.gz KQGOFKQUOAHLOW-ZWKOTPCHSA-N 1 3 321.509 2.537 20 0 DFADHO [NH3+]CCOCCN[C@H](Cc1ccccc1)c1ccccc1F ZINC000420415230 296187795 /nfs/dbraw/zinc/18/77/95/296187795.db2.gz UWYOXMAKTPKMOH-GOSISDBHSA-N 1 3 302.393 2.674 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000288398162 220131960 /nfs/dbraw/zinc/13/19/60/220131960.db2.gz YOXZSWQTRCSMHL-XJKSGUPXSA-N 1 3 323.456 2.711 20 0 DFADHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@@H]1CC1(C)C ZINC000487290627 299455919 /nfs/dbraw/zinc/45/59/19/299455919.db2.gz CNEPYADFFNWKCA-SJORKVTESA-N 1 3 307.526 2.961 20 0 DFADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc(C)c3)CC2)CC1 ZINC000421004401 296223682 /nfs/dbraw/zinc/22/36/82/296223682.db2.gz IEAKZZSWQXZSIG-UHFFFAOYSA-N 1 3 315.505 2.987 20 0 DFADHO CCN1CCC([N@H+]2CCCN(Cc3cccc(C)c3)CC2)CC1 ZINC000421004401 296223684 /nfs/dbraw/zinc/22/36/84/296223684.db2.gz IEAKZZSWQXZSIG-UHFFFAOYSA-N 1 3 315.505 2.987 20 0 DFADHO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CC[C@H]2CCCN2C)C1 ZINC000421028421 296228173 /nfs/dbraw/zinc/22/81/73/296228173.db2.gz UOLHOBGZEVGAHG-BZUAXINKSA-N 1 3 310.482 2.770 20 0 DFADHO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000421028421 296228174 /nfs/dbraw/zinc/22/81/74/296228174.db2.gz UOLHOBGZEVGAHG-BZUAXINKSA-N 1 3 310.482 2.770 20 0 DFADHO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CC[C@H]2CCCN2C)C1 ZINC000421028823 296228449 /nfs/dbraw/zinc/22/84/49/296228449.db2.gz UOLHOBGZEVGAHG-OWCLPIDISA-N 1 3 310.482 2.770 20 0 DFADHO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000421028823 296228450 /nfs/dbraw/zinc/22/84/50/296228450.db2.gz UOLHOBGZEVGAHG-OWCLPIDISA-N 1 3 310.482 2.770 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3c(c2)ncn3C)[C@H](C)C1 ZINC000271882570 209292445 /nfs/dbraw/zinc/29/24/45/209292445.db2.gz VMLKWHQZMUEKPZ-PBHICJAKSA-N 1 3 300.450 2.735 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3c(c2)ncn3C)[C@H](C)C1 ZINC000271882570 209292448 /nfs/dbraw/zinc/29/24/48/209292448.db2.gz VMLKWHQZMUEKPZ-PBHICJAKSA-N 1 3 300.450 2.735 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C)nc(C)c2)[C@@H](C)C1 ZINC000421879459 296278582 /nfs/dbraw/zinc/27/85/82/296278582.db2.gz NEWDAWXDVLQENE-KXBFYZLASA-N 1 3 319.493 2.925 20 0 DFADHO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000284560495 218078405 /nfs/dbraw/zinc/07/84/05/218078405.db2.gz YGXRCASFFPYNIJ-SFHVURJKSA-N 1 3 302.462 2.922 20 0 DFADHO CN(C)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623335824 399365106 /nfs/dbraw/zinc/36/51/06/399365106.db2.gz GLTLEEACZNAIRF-ZWKOTPCHSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623335824 399365109 /nfs/dbraw/zinc/36/51/09/399365109.db2.gz GLTLEEACZNAIRF-ZWKOTPCHSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)[C@@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)Cc1ccccc1 ZINC000623335824 399365112 /nfs/dbraw/zinc/36/51/12/399365112.db2.gz GLTLEEACZNAIRF-ZWKOTPCHSA-N 1 3 303.494 2.622 20 0 DFADHO C[N@@H+]1CC[C@H](NCCc2cnn(-c3ccccc3)c2)CC1(C)C ZINC000623352503 399369405 /nfs/dbraw/zinc/36/94/05/399369405.db2.gz DJKQYPCSOSRCDS-KRWDZBQOSA-N 1 3 312.461 2.877 20 0 DFADHO C[N@H+]1CC[C@H](NCCc2cnn(-c3ccccc3)c2)CC1(C)C ZINC000623352503 399369407 /nfs/dbraw/zinc/36/94/07/399369407.db2.gz DJKQYPCSOSRCDS-KRWDZBQOSA-N 1 3 312.461 2.877 20 0 DFADHO C[N@@H+]1CC[C@@H](NCCc2cnn(-c3ccccc3)c2)CC1(C)C ZINC000623352504 399369765 /nfs/dbraw/zinc/36/97/65/399369765.db2.gz DJKQYPCSOSRCDS-QGZVFWFLSA-N 1 3 312.461 2.877 20 0 DFADHO C[N@H+]1CC[C@@H](NCCc2cnn(-c3ccccc3)c2)CC1(C)C ZINC000623352504 399369767 /nfs/dbraw/zinc/36/97/67/399369767.db2.gz DJKQYPCSOSRCDS-QGZVFWFLSA-N 1 3 312.461 2.877 20 0 DFADHO COc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1OC1CC1 ZINC000623356474 399370990 /nfs/dbraw/zinc/37/09/90/399370990.db2.gz SELGQVUGPCYMLT-HNNXBMFYSA-N 1 3 316.445 2.810 20 0 DFADHO C[C@@H](NCCCC[NH+](C)C)c1cc(Br)ncc1F ZINC000273813791 211081102 /nfs/dbraw/zinc/08/11/02/211081102.db2.gz BLHUPYWPRQPYDS-SNVBAGLBSA-N 1 3 318.234 2.976 20 0 DFADHO CCSCC[NH2+]Cc1ccccc1CN1CCN(CC)CC1 ZINC000273803293 211071417 /nfs/dbraw/zinc/07/14/17/211071417.db2.gz VXUVJUOWDPPCHO-UHFFFAOYSA-N 1 3 321.534 2.667 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623380516 399376144 /nfs/dbraw/zinc/37/61/44/399376144.db2.gz BSQSXXFCBSCQEH-WBVHZDCISA-N 1 3 301.478 2.900 20 0 DFADHO C[C@@H]1Cc2ccccc2N1CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623380516 399376145 /nfs/dbraw/zinc/37/61/45/399376145.db2.gz BSQSXXFCBSCQEH-WBVHZDCISA-N 1 3 301.478 2.900 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)CC1(C)C ZINC000623370874 399374058 /nfs/dbraw/zinc/37/40/58/399374058.db2.gz CBKSRWRFEQKLTO-SFHVURJKSA-N 1 3 312.461 2.894 20 0 DFADHO CN(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623370438 399374444 /nfs/dbraw/zinc/37/44/44/399374444.db2.gz KAVVDHMBBCFDEJ-ROUUACIJSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)C[C@H](Cc1ccccc1)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623370438 399374445 /nfs/dbraw/zinc/37/44/45/399374445.db2.gz KAVVDHMBBCFDEJ-ROUUACIJSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)C[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623370438 399374446 /nfs/dbraw/zinc/37/44/46/399374446.db2.gz KAVVDHMBBCFDEJ-ROUUACIJSA-N 1 3 303.494 2.622 20 0 DFADHO C[N@@H+]1CC[C@@H](NCCN2CCCc3ccccc32)CC1(C)C ZINC000623381278 399376558 /nfs/dbraw/zinc/37/65/58/399376558.db2.gz KXPUBPIIQGKGHZ-QGZVFWFLSA-N 1 3 301.478 2.902 20 0 DFADHO C[N@H+]1CC[C@@H](NCCN2CCCc3ccccc32)CC1(C)C ZINC000623381278 399376561 /nfs/dbraw/zinc/37/65/61/399376561.db2.gz KXPUBPIIQGKGHZ-QGZVFWFLSA-N 1 3 301.478 2.902 20 0 DFADHO COC(=O)c1ccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)n1C ZINC000602004040 399380529 /nfs/dbraw/zinc/38/05/29/399380529.db2.gz JQEIHMKLHFPWCM-HNNXBMFYSA-N 1 3 321.465 2.556 20 0 DFADHO COC(=O)c1ccc(CNCCCC[N@H+]2CCCC[C@@H]2C)n1C ZINC000602004040 399380532 /nfs/dbraw/zinc/38/05/32/399380532.db2.gz JQEIHMKLHFPWCM-HNNXBMFYSA-N 1 3 321.465 2.556 20 0 DFADHO Cn1c(CCN[C@@H]2CC[N@H+](C)C(C)(C)C2)nc2c1cccc2F ZINC000623419004 399384916 /nfs/dbraw/zinc/38/49/16/399384916.db2.gz OSSIVKVPBCLKBS-CYBMUJFWSA-N 1 3 318.440 2.717 20 0 DFADHO Cn1c(CCN[C@@H]2CC[N@@H+](C)C(C)(C)C2)nc2c1cccc2F ZINC000623419004 399384919 /nfs/dbraw/zinc/38/49/19/399384919.db2.gz OSSIVKVPBCLKBS-CYBMUJFWSA-N 1 3 318.440 2.717 20 0 DFADHO CCOC(=O)C1CCC([NH2+]Cc2cccc3c2CCNC3)CC1 ZINC000602019559 399386305 /nfs/dbraw/zinc/38/63/05/399386305.db2.gz GQVABAHBDQNXML-UHFFFAOYSA-N 1 3 316.445 2.544 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cccc(OCCN(C)C)c1 ZINC000268851684 207018249 /nfs/dbraw/zinc/01/82/49/207018249.db2.gz WKJTXWCBTSPRKM-JKSUJKDBSA-N 1 3 316.449 2.563 20 0 DFADHO CCC[C@](C)(O)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000268860839 207028066 /nfs/dbraw/zinc/02/80/66/207028066.db2.gz GCAWFHNFLGOYGH-QAPCUYQASA-N 1 3 308.466 2.829 20 0 DFADHO CN1CC[C@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475525 399397699 /nfs/dbraw/zinc/39/76/99/399397699.db2.gz PZAZQMUGPCOEAE-OKZBNKHCSA-N 1 3 301.478 2.894 20 0 DFADHO CN1CC[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475525 399397700 /nfs/dbraw/zinc/39/77/00/399397700.db2.gz PZAZQMUGPCOEAE-OKZBNKHCSA-N 1 3 301.478 2.894 20 0 DFADHO CN1CC[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475525 399397702 /nfs/dbraw/zinc/39/77/02/399397702.db2.gz PZAZQMUGPCOEAE-OKZBNKHCSA-N 1 3 301.478 2.894 20 0 DFADHO CCN(CC)C(=O)C[C@@H](C)NCc1cccc(C[N@H+](C)CC)c1 ZINC000268899743 207069881 /nfs/dbraw/zinc/06/98/81/207069881.db2.gz MCPUUCSZIMEXTP-MRXNPFEDSA-N 1 3 319.493 2.875 20 0 DFADHO CCN(CC)C(=O)C[C@@H](C)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000268899743 207069885 /nfs/dbraw/zinc/06/98/85/207069885.db2.gz MCPUUCSZIMEXTP-MRXNPFEDSA-N 1 3 319.493 2.875 20 0 DFADHO Cc1cccc2oc(CCN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)nc21 ZINC000268916853 207082312 /nfs/dbraw/zinc/08/23/12/207082312.db2.gz JEAFCGQNSAVOQN-RRFJBIMHSA-N 1 3 301.434 2.997 20 0 DFADHO Cc1cccc2oc(CCN[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)nc21 ZINC000268916853 207082315 /nfs/dbraw/zinc/08/23/15/207082315.db2.gz JEAFCGQNSAVOQN-RRFJBIMHSA-N 1 3 301.434 2.997 20 0 DFADHO COCCC[C@@H](C)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000268914947 207083505 /nfs/dbraw/zinc/08/35/05/207083505.db2.gz UWWYQSXHQYOURT-MRXNPFEDSA-N 1 3 308.466 2.574 20 0 DFADHO CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268921908 207089489 /nfs/dbraw/zinc/08/94/89/207089489.db2.gz WVSYAZHJONBJFY-QAPCUYQASA-N 1 3 308.466 2.829 20 0 DFADHO CC[C@@H](NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422702572 296318562 /nfs/dbraw/zinc/31/85/62/296318562.db2.gz LBWSIDXHQQTZMK-MOPGFXCFSA-N 1 3 315.505 2.944 20 0 DFADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1F ZINC000268929650 207095004 /nfs/dbraw/zinc/09/50/04/207095004.db2.gz QIZKNDCRPYBYOJ-DZGCQCFKSA-N 1 3 312.404 2.852 20 0 DFADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1F ZINC000268929650 207095009 /nfs/dbraw/zinc/09/50/09/207095009.db2.gz QIZKNDCRPYBYOJ-DZGCQCFKSA-N 1 3 312.404 2.852 20 0 DFADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])N1CCCCC1 ZINC000422704994 296318818 /nfs/dbraw/zinc/31/88/18/296318818.db2.gz BCJZGUXWJQHVFI-KSZLIROESA-N 1 3 317.477 2.692 20 0 DFADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)N1CCCCC1 ZINC000422704994 296318819 /nfs/dbraw/zinc/31/88/19/296318819.db2.gz BCJZGUXWJQHVFI-KSZLIROESA-N 1 3 317.477 2.692 20 0 DFADHO CCN(CC[NH2+][C@H]1CCN(C)C(C)(C)C1)CCC(F)(F)F ZINC000623506791 399404002 /nfs/dbraw/zinc/40/40/02/399404002.db2.gz HXUSZMRSQNYLOT-ZDUSSCGKSA-N 1 3 309.420 2.723 20 0 DFADHO CCN(CCN[C@H]1CC[N@H+](C)C(C)(C)C1)CCC(F)(F)F ZINC000623506791 399404005 /nfs/dbraw/zinc/40/40/05/399404005.db2.gz HXUSZMRSQNYLOT-ZDUSSCGKSA-N 1 3 309.420 2.723 20 0 DFADHO CCN(CCN[C@H]1CC[N@@H+](C)C(C)(C)C1)CCC(F)(F)F ZINC000623506791 399404007 /nfs/dbraw/zinc/40/40/07/399404007.db2.gz HXUSZMRSQNYLOT-ZDUSSCGKSA-N 1 3 309.420 2.723 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1cc(Br)ccc1F ZINC000422703869 296318880 /nfs/dbraw/zinc/31/88/80/296318880.db2.gz OBEXNRJEILCRIG-NXEZZACHSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1cc(Br)ccc1F ZINC000422703869 296318882 /nfs/dbraw/zinc/31/88/82/296318882.db2.gz OBEXNRJEILCRIG-NXEZZACHSA-N 1 3 303.219 2.846 20 0 DFADHO C[N@@H+]1CC[C@@H](NC[C@H](CO)c2ccc(Cl)cc2)CC1(C)C ZINC000623525246 399408404 /nfs/dbraw/zinc/40/84/04/399408404.db2.gz CTOPGBUEBVMTQB-GDBMZVCRSA-N 1 3 310.869 2.878 20 0 DFADHO C[N@H+]1CC[C@@H](NC[C@H](CO)c2ccc(Cl)cc2)CC1(C)C ZINC000623525246 399408406 /nfs/dbraw/zinc/40/84/06/399408406.db2.gz CTOPGBUEBVMTQB-GDBMZVCRSA-N 1 3 310.869 2.878 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)N1CCc2sccc2C1 ZINC000422709120 296319928 /nfs/dbraw/zinc/31/99/28/296319928.db2.gz CUGLOVJQAQAQHI-IJEWVQPXSA-N 1 3 307.507 2.602 20 0 DFADHO C[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])N1CCc2sccc2C1 ZINC000422709120 296319929 /nfs/dbraw/zinc/31/99/29/296319929.db2.gz CUGLOVJQAQAQHI-IJEWVQPXSA-N 1 3 307.507 2.602 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000422717091 296320976 /nfs/dbraw/zinc/32/09/76/296320976.db2.gz VJOIERZLHZWAFG-CABCVRRESA-N 1 3 304.482 2.621 20 0 DFADHO CCC(CC)[C@H](O)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422718880 296320834 /nfs/dbraw/zinc/32/08/34/296320834.db2.gz XXYMUPYPIALSBP-SCTDSRPQSA-N 1 3 318.461 2.629 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422721051 296321340 /nfs/dbraw/zinc/32/13/40/296321340.db2.gz NHQUZFJFZSQZDH-KBXCAEBGSA-N 1 3 323.431 2.646 20 0 DFADHO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCCCN1 ZINC000422725012 296322269 /nfs/dbraw/zinc/32/22/69/296322269.db2.gz XIGIDLOJJXVVEY-BEFAXECRSA-N 1 3 319.468 2.910 20 0 DFADHO C[C@@H](NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422725012 296322270 /nfs/dbraw/zinc/32/22/70/296322270.db2.gz XIGIDLOJJXVVEY-BEFAXECRSA-N 1 3 319.468 2.910 20 0 DFADHO C[C@@H](NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422734373 296323376 /nfs/dbraw/zinc/32/33/76/296323376.db2.gz CQNYNUHPGGPHCA-QRQLOZEOSA-N 1 3 301.478 2.771 20 0 DFADHO CCOC(=O)CC[C@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000611036224 399430044 /nfs/dbraw/zinc/43/00/44/399430044.db2.gz FIFILSUULAGNGS-SJORKVTESA-N 1 3 310.482 2.916 20 0 DFADHO CCOC(=O)CC[C@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000611036224 399430045 /nfs/dbraw/zinc/43/00/45/399430045.db2.gz FIFILSUULAGNGS-SJORKVTESA-N 1 3 310.482 2.916 20 0 DFADHO Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CCCCN(C)C3)s2)cn1 ZINC000623656933 399436391 /nfs/dbraw/zinc/43/63/91/399436391.db2.gz FYHDGGYFLDDELZ-AWEZNQCLSA-N 1 3 318.490 2.970 20 0 DFADHO CN1CCCC[C@H](C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000623655830 399437014 /nfs/dbraw/zinc/43/70/14/399437014.db2.gz GSVGXOFVSJLFLQ-MRXNPFEDSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623655643 399437385 /nfs/dbraw/zinc/43/73/85/399437385.db2.gz AZOAMXRMCGLOAM-HZPDHXFCSA-N 1 3 303.450 2.725 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623655643 399437388 /nfs/dbraw/zinc/43/73/88/399437388.db2.gz AZOAMXRMCGLOAM-HZPDHXFCSA-N 1 3 303.450 2.725 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623655643 399437390 /nfs/dbraw/zinc/43/73/90/399437390.db2.gz AZOAMXRMCGLOAM-HZPDHXFCSA-N 1 3 303.450 2.725 20 0 DFADHO C[C@H]1CN(C(C)(C)CNc2cc[nH+]c3ccccc23)C[C@H](C)O1 ZINC000346588646 284905129 /nfs/dbraw/zinc/90/51/29/284905129.db2.gz AXBRSZMSNGWRLG-GJZGRUSLSA-N 1 3 313.445 2.956 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000269073038 207221031 /nfs/dbraw/zinc/22/10/31/207221031.db2.gz NDBCLUADJPFNPN-GOEBONIOSA-N 1 3 324.465 2.711 20 0 DFADHO COC(=O)C(C)(C)[C@@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000611322970 399462321 /nfs/dbraw/zinc/46/23/21/399462321.db2.gz ILVCBTGNVQPSPZ-CVEARBPZSA-N 1 3 310.482 2.772 20 0 DFADHO COC(=O)C(C)(C)[C@@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000611322970 399462323 /nfs/dbraw/zinc/46/23/23/399462323.db2.gz ILVCBTGNVQPSPZ-CVEARBPZSA-N 1 3 310.482 2.772 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137068 207268634 /nfs/dbraw/zinc/26/86/34/207268634.db2.gz UHXCYVJMQQWIHV-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137068 207268639 /nfs/dbraw/zinc/26/86/39/207268639.db2.gz UHXCYVJMQQWIHV-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137068 207268643 /nfs/dbraw/zinc/26/86/43/207268643.db2.gz UHXCYVJMQQWIHV-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137068 207268645 /nfs/dbraw/zinc/26/86/45/207268645.db2.gz UHXCYVJMQQWIHV-PKOBYXMFSA-N 1 3 310.445 2.788 20 0 DFADHO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000422737449 296323989 /nfs/dbraw/zinc/32/39/89/296323989.db2.gz IGMJSXCYDMCAMP-DISONHOPSA-N 1 3 321.509 2.534 20 0 DFADHO C[C@H](N[C@H]1CCN([C@@H](C)c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422740770 296324497 /nfs/dbraw/zinc/32/44/97/296324497.db2.gz NEAVPSSHOBPAGI-PBWTXFEYSA-N 1 3 301.478 2.942 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000422737261 296324168 /nfs/dbraw/zinc/32/41/68/296324168.db2.gz ZKLJERWRYCLRSO-NEWSRXKRSA-N 1 3 301.478 2.801 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1ccccc1C(F)(F)F ZINC000422743579 296324828 /nfs/dbraw/zinc/32/48/28/296324828.db2.gz UHEOUOOEGBUNQF-NJZAAPMLSA-N 1 3 316.367 2.590 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000422743579 296324829 /nfs/dbraw/zinc/32/48/29/296324829.db2.gz UHEOUOOEGBUNQF-NJZAAPMLSA-N 1 3 316.367 2.590 20 0 DFADHO CC[C@H](N[C@@H]1CCC[C@H](C(=O)NC(C)C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422748546 296325721 /nfs/dbraw/zinc/32/57/21/296325721.db2.gz UZSXZBMXHNAOCJ-YVSFHVDLSA-N 1 3 309.498 2.580 20 0 DFADHO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422752425 296326793 /nfs/dbraw/zinc/32/67/93/296326793.db2.gz GYYGTMGGXZQFOD-GOEBONIOSA-N 1 3 300.450 2.713 20 0 DFADHO C[C@H](NCCCc1ccc(Br)cc1F)C1C[NH2+]C1 ZINC000422753989 296326799 /nfs/dbraw/zinc/32/67/99/296326799.db2.gz FPNOPCNHHYIIDF-JTQLQIEISA-N 1 3 315.230 2.718 20 0 DFADHO C[C@H]([NH2+]CCCc1ccc(Br)cc1F)C1CNC1 ZINC000422753989 296326800 /nfs/dbraw/zinc/32/68/00/296326800.db2.gz FPNOPCNHHYIIDF-JTQLQIEISA-N 1 3 315.230 2.718 20 0 DFADHO c1ccc(SCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422750394 296326190 /nfs/dbraw/zinc/32/61/90/296326190.db2.gz DATQBZOXVYZIES-KZNAEPCWSA-N 1 3 320.502 2.916 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(C(F)(F)F)c1 ZINC000422751767 296326443 /nfs/dbraw/zinc/32/64/43/296326443.db2.gz CWRLEDOUXGMOSO-LEWSCRJBSA-N 1 3 302.340 2.547 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000422753598 296326875 /nfs/dbraw/zinc/32/68/75/296326875.db2.gz IRSUIOXNDIKSJZ-PWIZWCRZSA-N 1 3 311.473 2.837 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](c1ccccc1)N(C)C ZINC000422753598 296326876 /nfs/dbraw/zinc/32/68/76/296326876.db2.gz IRSUIOXNDIKSJZ-PWIZWCRZSA-N 1 3 311.473 2.837 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422759729 296328212 /nfs/dbraw/zinc/32/82/12/296328212.db2.gz LGJWPLYDWFEUQJ-APHBMKBZSA-N 1 3 312.454 2.650 20 0 DFADHO Cc1ccc(SCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422757429 296327593 /nfs/dbraw/zinc/32/75/93/296327593.db2.gz CXPMJBCNPHFYOP-RCCFBDPRSA-N 1 3 320.502 2.834 20 0 DFADHO Fc1cccc(C2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422756362 296327827 /nfs/dbraw/zinc/32/78/27/296327827.db2.gz CFMVPGHHNNOVSY-RCCFBDPRSA-N 1 3 318.436 2.604 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422756674 296327841 /nfs/dbraw/zinc/32/78/41/296327841.db2.gz HVQAUGSHTDECFX-FGTMMUONSA-N 1 3 320.452 2.850 20 0 DFADHO COc1ccc([C@H](CN[C@H](C)C[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000422764196 296329159 /nfs/dbraw/zinc/32/91/59/296329159.db2.gz UWFDYSJMYDWVRX-RKVPGOIHSA-N 1 3 305.466 2.548 20 0 DFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CC1(N(C)C)CCCCC1 ZINC000422767150 296329743 /nfs/dbraw/zinc/32/97/43/296329743.db2.gz YERGWPKUCSBTKQ-AEFFLSMTSA-N 1 3 303.494 2.799 20 0 DFADHO COc1ccc([C@H](C)CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)cc1 ZINC000422776075 296330993 /nfs/dbraw/zinc/33/09/93/296330993.db2.gz CCANNDZMOVBZGV-IDCJVQTKSA-N 1 3 306.450 2.531 20 0 DFADHO Clc1ccccc1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422775678 296331138 /nfs/dbraw/zinc/33/11/38/296331138.db2.gz BCWCBAUWOMVAAT-DJIMGWMZSA-N 1 3 308.853 2.629 20 0 DFADHO CC(C)CCOCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422779816 296331449 /nfs/dbraw/zinc/33/14/49/296331449.db2.gz JFNIBRONXHBEEH-IEBWSBKVSA-N 1 3 318.461 2.895 20 0 DFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000422788357 296332897 /nfs/dbraw/zinc/33/28/97/296332897.db2.gz NDAIOHMWACXYBN-NRSFXHEJSA-N 1 3 320.502 2.914 20 0 DFADHO Cc1csc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000623915412 399493317 /nfs/dbraw/zinc/49/33/17/399493317.db2.gz FVVRYHBDTWULKF-ZNMIVQPWSA-N 1 3 311.495 2.992 20 0 DFADHO C[C@H](NCC1(c2ccccc2Br)CC1)C1C[NH2+]C1 ZINC000422788695 296332991 /nfs/dbraw/zinc/33/29/91/296332991.db2.gz SSNUPEULFFNXHV-NSHDSACASA-N 1 3 309.251 2.678 20 0 DFADHO C[C@H]([NH2+]CC1(c2ccccc2Br)CC1)C1CNC1 ZINC000422788695 296332993 /nfs/dbraw/zinc/33/29/93/296332993.db2.gz SSNUPEULFFNXHV-NSHDSACASA-N 1 3 309.251 2.678 20 0 DFADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000422787700 296333006 /nfs/dbraw/zinc/33/30/06/296333006.db2.gz UXUBORPLOIKAQM-KZNAEPCWSA-N 1 3 318.461 2.757 20 0 DFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000422788358 296333053 /nfs/dbraw/zinc/33/30/53/296333053.db2.gz NDAIOHMWACXYBN-VDHUWJSZSA-N 1 3 320.502 2.914 20 0 DFADHO CO[C@@H]1CCCC[C@@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422795432 296334517 /nfs/dbraw/zinc/33/45/17/296334517.db2.gz VOILQYITEMMRJQ-DKKFBQAASA-N 1 3 316.445 2.790 20 0 DFADHO C[C@@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCCCN1 ZINC000422795750 296334549 /nfs/dbraw/zinc/33/45/49/296334549.db2.gz WOMBRDFTTZKICW-KDOFPFPSSA-N 1 3 316.424 2.674 20 0 DFADHO C[C@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCCCN1 ZINC000422795751 296334570 /nfs/dbraw/zinc/33/45/70/296334570.db2.gz WOMBRDFTTZKICW-KSSFIOAISA-N 1 3 316.424 2.674 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000422802448 296335510 /nfs/dbraw/zinc/33/55/10/296335510.db2.gz BMMASVNHRUGLEM-FDZXDKCCSA-N 1 3 308.388 2.697 20 0 DFADHO CC[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422801471 296335587 /nfs/dbraw/zinc/33/55/87/296335587.db2.gz BZKJSABIYSSHRS-ZYSHUDEJSA-N 1 3 301.478 2.553 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422796880 296334883 /nfs/dbraw/zinc/33/48/83/296334883.db2.gz ZIJRRAMNBQAOLT-GRGSLBFTSA-N 1 3 318.461 2.973 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(OC)c1 ZINC000422797256 296334921 /nfs/dbraw/zinc/33/49/21/296334921.db2.gz LSAJRYRQZCPWON-BHIYHBOVSA-N 1 3 319.493 2.795 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1nc(C(F)(F)F)cs1 ZINC000422801669 296335419 /nfs/dbraw/zinc/33/54/19/296335419.db2.gz CJIDZCOZWORQDC-UWVGGRQHSA-N 1 3 307.385 2.682 20 0 DFADHO c1ccc2c(c1)CCC[C@@H]2CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422805327 296336235 /nfs/dbraw/zinc/33/62/35/296336235.db2.gz LXFWBFZBUQAWRI-VBSBHUPXSA-N 1 3 314.473 2.853 20 0 DFADHO CCc1ccc([C@@H](CC(C)C)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000623960600 399504510 /nfs/dbraw/zinc/50/45/10/399504510.db2.gz BDVAWTMASJKTIX-MOPGFXCFSA-N 1 3 304.478 2.992 20 0 DFADHO CCc1ccc([C@@H](CC(C)C)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000623960600 399504512 /nfs/dbraw/zinc/50/45/12/399504512.db2.gz BDVAWTMASJKTIX-MOPGFXCFSA-N 1 3 304.478 2.992 20 0 DFADHO CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])ccc2NC1=O ZINC000422809905 296336971 /nfs/dbraw/zinc/33/69/71/296336971.db2.gz MOZKBMOMFHAXNO-ASHKBJFXSA-N 1 3 305.422 2.573 20 0 DFADHO CCc1ccc([C@H](CC(C)C)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000623960602 399504471 /nfs/dbraw/zinc/50/44/71/399504471.db2.gz BDVAWTMASJKTIX-RBUKOAKNSA-N 1 3 304.478 2.992 20 0 DFADHO CCc1ccc([C@H](CC(C)C)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000623960602 399504473 /nfs/dbraw/zinc/50/44/73/399504473.db2.gz BDVAWTMASJKTIX-RBUKOAKNSA-N 1 3 304.478 2.992 20 0 DFADHO CC[C@H]([NH2+]CCN1CCc2ccccc2C1)[C@@H]1CCCCN1 ZINC000422812648 296337507 /nfs/dbraw/zinc/33/75/07/296337507.db2.gz YCLYXYHYFHNDPD-OALUTQOASA-N 1 3 301.478 2.555 20 0 DFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCN1CCc2ccccc2C1 ZINC000422812921 296337573 /nfs/dbraw/zinc/33/75/73/296337573.db2.gz YJZHYQXQWYIYGA-DYESRHJHSA-N 1 3 323.484 2.593 20 0 DFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CCc2ccccc2C1 ZINC000422812921 296337574 /nfs/dbraw/zinc/33/75/74/296337574.db2.gz YJZHYQXQWYIYGA-DYESRHJHSA-N 1 3 323.484 2.593 20 0 DFADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000422815327 296338354 /nfs/dbraw/zinc/33/83/54/296338354.db2.gz XKHWFGFUYTWQID-NEPJUHHUSA-N 1 3 313.401 2.989 20 0 DFADHO C[C@@H](NCCC1CCN(CC(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000422817738 296338687 /nfs/dbraw/zinc/33/86/87/296338687.db2.gz IDSXOGLIBYEXIP-UKRRQHHQSA-N 1 3 321.431 2.771 20 0 DFADHO C[C@@H](CCCC[NH3+])NCc1cccnc1OCC(F)(F)F ZINC000422822507 296339455 /nfs/dbraw/zinc/33/94/55/296339455.db2.gz BAYJQJFCELEDHD-NSHDSACASA-N 1 3 305.344 2.630 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422821257 296339475 /nfs/dbraw/zinc/33/94/75/296339475.db2.gz VGHPSBRVKVIVOA-CABCVRRESA-N 1 3 321.431 2.758 20 0 DFADHO Cc1ccc([C@H](CN[C@@H](C)[C@@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000422826672 296340030 /nfs/dbraw/zinc/34/00/30/296340030.db2.gz LRUZYFCXLFENGC-UHOSZYNNSA-N 1 3 301.478 2.720 20 0 DFADHO COC(=O)c1csc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000602661060 399507285 /nfs/dbraw/zinc/50/72/85/399507285.db2.gz CBSRQQCBVIEUFQ-AWEZNQCLSA-N 1 3 322.474 2.698 20 0 DFADHO Cc1ccc([C@@H](CN[C@H](C)[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422826723 296340417 /nfs/dbraw/zinc/34/04/17/296340417.db2.gz LYLIHVUDRVMDNV-BHIYHBOVSA-N 1 3 301.478 2.862 20 0 DFADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000422832442 296341287 /nfs/dbraw/zinc/34/12/87/296341287.db2.gz VBPDDGDJQSJVOV-DLBZAZTESA-N 1 3 306.413 2.995 20 0 DFADHO c1nc2ccccc2n1Cc1ccc(C[NH2+]C2CCNCC2)cc1 ZINC000422834861 296341777 /nfs/dbraw/zinc/34/17/77/296341777.db2.gz XPYDWAULFAKTKZ-UHFFFAOYSA-N 1 3 320.440 2.926 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000422844074 296343306 /nfs/dbraw/zinc/34/33/06/296343306.db2.gz KSRGYZURQOOHPE-WBAXXEDZSA-N 1 3 304.478 2.869 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1ccc(C(C)(C)C)cc1 ZINC000422844074 296343307 /nfs/dbraw/zinc/34/33/07/296343307.db2.gz KSRGYZURQOOHPE-WBAXXEDZSA-N 1 3 304.478 2.869 20 0 DFADHO N[C@H]1CCCCC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422844086 296343395 /nfs/dbraw/zinc/34/33/95/296343395.db2.gz KTUPTJDIHXDOAR-HOTGVXAUSA-N 1 3 311.539 2.598 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCC(=O)NCc1ccccc1 ZINC000422848473 296344142 /nfs/dbraw/zinc/34/41/42/296344142.db2.gz TYALUZWGDDTHGU-WMZOPIPTSA-N 1 3 317.477 2.593 20 0 DFADHO CCOCCOCc1cccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422858529 296346020 /nfs/dbraw/zinc/34/60/20/296346020.db2.gz IWUCVOGPFMXSJA-LPHOPBHVSA-N 1 3 320.477 2.717 20 0 DFADHO CCOCCOCc1cccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422860252 296346132 /nfs/dbraw/zinc/34/61/32/296346132.db2.gz LFABNLUXQLCLBN-MOPGFXCFSA-N 1 3 320.477 2.847 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1ccc(F)cc1C(F)(F)F ZINC000422866267 296347133 /nfs/dbraw/zinc/34/71/33/296347133.db2.gz PZJRHEVIMDKUJM-GFCCVEGCSA-N 1 3 308.319 2.688 20 0 DFADHO CC(=O)Nc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)c1 ZINC000422866317 296347213 /nfs/dbraw/zinc/34/72/13/296347213.db2.gz QEGWQYJFSFOUKI-IFXJQAMLSA-N 1 3 311.429 2.693 20 0 DFADHO C[C@H](N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422873759 296348468 /nfs/dbraw/zinc/34/84/68/296348468.db2.gz MBFOMZVZAUHZIA-PBWTXFEYSA-N 1 3 301.478 2.770 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CC[C@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000347392389 285028558 /nfs/dbraw/zinc/02/85/58/285028558.db2.gz LCDJNMKAGBCWCY-ZHALLVOQSA-N 1 3 324.509 2.767 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)N2CCCC2)o1 ZINC000422881158 296349934 /nfs/dbraw/zinc/34/99/34/296349934.db2.gz PQAPLZVNNJJCHR-XIRDDKMYSA-N 1 3 305.466 2.703 20 0 DFADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422879468 296349422 /nfs/dbraw/zinc/34/94/22/296349422.db2.gz KOITUKGYGKUOCI-WMLDXEAASA-N 1 3 303.450 2.903 20 0 DFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC[C@@H]1CCCS1 ZINC000422881801 296349866 /nfs/dbraw/zinc/34/98/66/296349866.db2.gz ZBRFKPZPECTCML-YSVLISHTSA-N 1 3 304.459 2.728 20 0 DFADHO CC[C@H](NCc1ccc(OCCN(C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422896408 296352159 /nfs/dbraw/zinc/35/21/59/296352159.db2.gz IDZTUHWSRTVDLO-OALUTQOASA-N 1 3 319.493 2.637 20 0 DFADHO CC[C@H](NC1CCC(C[NH3+])CC1)c1nnc2n1CCCCC2 ZINC000422907242 296354452 /nfs/dbraw/zinc/35/44/52/296354452.db2.gz LFBUAYDEEHHQLC-NRXISQOPSA-N 1 3 305.470 2.563 20 0 DFADHO Fc1cccc(CCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422910457 296354581 /nfs/dbraw/zinc/35/45/81/296354581.db2.gz QNQLUQJTYPTWGA-KZNAEPCWSA-N 1 3 306.425 2.505 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422909703 296354602 /nfs/dbraw/zinc/35/46/02/296354602.db2.gz OUIYMDYOHIZJQA-AEGPPILISA-N 1 3 323.868 2.644 20 0 DFADHO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000422909703 296354603 /nfs/dbraw/zinc/35/46/03/296354603.db2.gz OUIYMDYOHIZJQA-AEGPPILISA-N 1 3 323.868 2.644 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422926755 296356096 /nfs/dbraw/zinc/35/60/96/296356096.db2.gz DVGSTILNHRGYAK-SZMVWBNQSA-N 1 3 302.462 2.741 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422910853 296355014 /nfs/dbraw/zinc/35/50/14/296355014.db2.gz RPWXUGRYWZDVND-BFHYXJOUSA-N 1 3 311.420 2.645 20 0 DFADHO C[C@H](C[C@H](C)N)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422910853 296355015 /nfs/dbraw/zinc/35/50/15/296355015.db2.gz RPWXUGRYWZDVND-BFHYXJOUSA-N 1 3 311.420 2.645 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1nc2ccccc2n1C(F)F ZINC000422912605 296355070 /nfs/dbraw/zinc/35/50/70/296355070.db2.gz NNSXQYHMOQYGKV-QWHCGFSZSA-N 1 3 322.403 2.952 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930127 296356889 /nfs/dbraw/zinc/35/68/89/296356889.db2.gz SGWVJIRYORXFPE-DZGCQCFKSA-N 1 3 324.852 2.761 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOc1cccc(C(F)(F)F)c1 ZINC000422929937 296356972 /nfs/dbraw/zinc/35/69/72/296356972.db2.gz ALFGFFMZQKVFGF-RISCZKNCSA-N 1 3 302.340 2.801 20 0 DFADHO CC(C)c1noc(CCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422938088 296357944 /nfs/dbraw/zinc/35/79/44/296357944.db2.gz PHSDJCODTIENNO-KFWWJZLASA-N 1 3 306.454 2.636 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOc1cccc2ccccc21 ZINC000422936603 296358087 /nfs/dbraw/zinc/35/80/87/296358087.db2.gz FJJJMIALOOKZKK-WBAXXEDZSA-N 1 3 314.429 2.561 20 0 DFADHO CC(C)[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000422935690 296357482 /nfs/dbraw/zinc/35/74/82/296357482.db2.gz HKQKJQLOFFYEKG-POAQFYNOSA-N 1 3 315.505 2.657 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422935056 296357583 /nfs/dbraw/zinc/35/75/83/296357583.db2.gz KJMXQVZWJUXIHO-RISCZKNCSA-N 1 3 315.230 2.848 20 0 DFADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422934295 296357743 /nfs/dbraw/zinc/35/77/43/296357743.db2.gz CIRTVVRIVWKJDF-CHWSQXEVSA-N 1 3 318.490 2.981 20 0 DFADHO C[C@H](Cc1ccc(F)c(Br)c1)N[C@H](C)C1C[NH2+]C1 ZINC000422945820 296358901 /nfs/dbraw/zinc/35/89/01/296358901.db2.gz VHHWEVHZVZXAKS-NXEZZACHSA-N 1 3 315.230 2.717 20 0 DFADHO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H](C)C1CNC1 ZINC000422945820 296358903 /nfs/dbraw/zinc/35/89/03/296358903.db2.gz VHHWEVHZVZXAKS-NXEZZACHSA-N 1 3 315.230 2.717 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(OC2CCCC2)cc1 ZINC000422948504 296359579 /nfs/dbraw/zinc/35/95/79/296359579.db2.gz SBAYLJVGUTXGAO-GDIGMMSISA-N 1 3 318.461 2.850 20 0 DFADHO C[C@@H](NCC1(c2ccc(Cl)cc2)CCOCC1)C1C[NH2+]C1 ZINC000422949390 296359731 /nfs/dbraw/zinc/35/97/31/296359731.db2.gz TYSCTIYCKWUSOH-CYBMUJFWSA-N 1 3 308.853 2.586 20 0 DFADHO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C1CNC1 ZINC000422949390 296359732 /nfs/dbraw/zinc/35/97/32/296359732.db2.gz TYSCTIYCKWUSOH-CYBMUJFWSA-N 1 3 308.853 2.586 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCCOc1ccc(Br)cc1 ZINC000422948229 296359746 /nfs/dbraw/zinc/35/97/46/296359746.db2.gz RNNSVSKBMAPJOD-QWRGUYRKSA-N 1 3 301.228 2.543 20 0 DFADHO CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3CN)cc2)n1 ZINC000422957640 296360939 /nfs/dbraw/zinc/36/09/39/296360939.db2.gz NUEWRUZPQCCKGL-HZPDHXFCSA-N 1 3 314.433 2.559 20 0 DFADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000422953709 296360363 /nfs/dbraw/zinc/36/03/63/296360363.db2.gz GGMPMNSOEJDEPC-ROUUACIJSA-N 1 3 315.461 2.559 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(COC2CCOCC2)cc1 ZINC000422960078 296361439 /nfs/dbraw/zinc/36/14/39/296361439.db2.gz AQCARWWQMARYFI-LSDHHAIUSA-N 1 3 306.450 2.598 20 0 DFADHO CC(C)(CO)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422970737 296362899 /nfs/dbraw/zinc/36/28/99/296362899.db2.gz WUCKICKOBUMJPR-UJJTZGENSA-N 1 3 302.462 2.661 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1ccnc(OC2CCCCC2)c1 ZINC000422970489 296362950 /nfs/dbraw/zinc/36/29/50/296362950.db2.gz GJAPFXKWZIFXRL-INIZCTEOSA-N 1 3 321.465 2.637 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCCNc1cccc(Br)c1 ZINC000422966690 296362211 /nfs/dbraw/zinc/36/22/11/296362211.db2.gz RSLYDQMYHOBHAQ-WDEREUQCSA-N 1 3 300.244 2.576 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccccc1-n1ccnc1 ZINC000422965370 296362271 /nfs/dbraw/zinc/36/22/71/296362271.db2.gz KXEXSGHXMQVEFR-LPHOPBHVSA-N 1 3 320.440 2.920 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000422965370 296362273 /nfs/dbraw/zinc/36/22/73/296362273.db2.gz KXEXSGHXMQVEFR-LPHOPBHVSA-N 1 3 320.440 2.920 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422985745 296364368 /nfs/dbraw/zinc/36/43/68/296364368.db2.gz ADUAIWAYUWRQFR-OBJOEFQTSA-N 1 3 318.383 2.572 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422985745 296364371 /nfs/dbraw/zinc/36/43/71/296364371.db2.gz ADUAIWAYUWRQFR-OBJOEFQTSA-N 1 3 318.383 2.572 20 0 DFADHO CSc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)ccn1 ZINC000422986809 296364389 /nfs/dbraw/zinc/36/43/89/296364389.db2.gz HKMBQBWJYDFTMP-CJNGLKHVSA-N 1 3 301.459 2.852 20 0 DFADHO CCCOc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)cn1 ZINC000422972674 296363480 /nfs/dbraw/zinc/36/34/80/296363480.db2.gz AGOAFELSILHCQG-CRAIPNDOSA-N 1 3 313.445 2.919 20 0 DFADHO Cc1cc(C[C@H](C)N[C@H](C)[C@@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000422995580 296365121 /nfs/dbraw/zinc/36/51/21/296365121.db2.gz KKSCRQFUYFINFC-USXIJHARSA-N 1 3 312.461 2.699 20 0 DFADHO Cc1cc(C)c(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422997143 296365147 /nfs/dbraw/zinc/36/51/47/296365147.db2.gz AOVIRLLQXWNPBE-SLFFLAALSA-N 1 3 316.489 2.901 20 0 DFADHO COCCCOc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)c1 ZINC000423000696 296365935 /nfs/dbraw/zinc/36/59/35/296365935.db2.gz HEEGOWNBAPYADQ-ZWKOTPCHSA-N 1 3 306.450 2.852 20 0 DFADHO COCCCOc1cccc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423001033 296366025 /nfs/dbraw/zinc/36/60/25/296366025.db2.gz HJZDRPMDUTVRJR-WMZOPIPTSA-N 1 3 306.450 2.709 20 0 DFADHO CCC(CC)(CO)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423003219 296366225 /nfs/dbraw/zinc/36/62/25/296366225.db2.gz LBVFVSSZHHADPF-LPHOPBHVSA-N 1 3 318.461 2.631 20 0 DFADHO Cc1cn2c(n1)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423005734 296366637 /nfs/dbraw/zinc/36/66/37/296366637.db2.gz NDCBBALCTHGEJZ-LUKYLMHMSA-N 1 3 302.466 2.579 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000423008591 296366905 /nfs/dbraw/zinc/36/69/05/296366905.db2.gz AMMRMXDSJZUZBD-INMHGKMJSA-N 1 3 305.441 2.772 20 0 DFADHO Cc1nn(C)c(C)c1CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423015186 296367734 /nfs/dbraw/zinc/36/77/34/296367734.db2.gz KEQNMYYOUILKHT-GUDVDZBRSA-N 1 3 318.509 2.870 20 0 DFADHO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000423015186 296367736 /nfs/dbraw/zinc/36/77/36/296367736.db2.gz KEQNMYYOUILKHT-GUDVDZBRSA-N 1 3 318.509 2.870 20 0 DFADHO COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000423025901 296369356 /nfs/dbraw/zinc/36/93/56/296369356.db2.gz PKWKVYHLLRJMAS-PMPSAXMXSA-N 1 3 306.450 2.817 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000423018087 296368677 /nfs/dbraw/zinc/36/86/77/296368677.db2.gz QFBDCEWAAFDDIU-UONOGXRCSA-N 1 3 305.466 2.688 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H]3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000423021584 296368729 /nfs/dbraw/zinc/36/87/29/296368729.db2.gz CKEFAQWUELGMOM-APWZRJJASA-N 1 3 316.493 2.756 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H]3CCC[C@@H]3[NH3+])c2)CC1 ZINC000423021542 296368829 /nfs/dbraw/zinc/36/88/29/296368829.db2.gz CDKDULSUVOEEKG-ROUUACIJSA-N 1 3 302.466 2.509 20 0 DFADHO Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000423022000 296368928 /nfs/dbraw/zinc/36/89/28/296368928.db2.gz DINVRLWNXWIQIC-QRVBRYPASA-N 1 3 317.477 2.626 20 0 DFADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCCO1 ZINC000423044953 296371290 /nfs/dbraw/zinc/37/12/90/296371290.db2.gz RMRSFCLJHNSBML-RUENVJTFSA-N 1 3 316.445 2.790 20 0 DFADHO COC[C@H](CCC[NH3+])NCc1ccccc1N1CCCCC1 ZINC000423048487 296371582 /nfs/dbraw/zinc/37/15/82/296371582.db2.gz WMYUNQMWLVPCOD-KRWDZBQOSA-N 1 3 305.466 2.520 20 0 DFADHO Cn1cc(CC[NH2+][C@H]2CCCC[C@H]2CN)c2ccc(F)cc21 ZINC000423049322 296372161 /nfs/dbraw/zinc/37/21/61/296372161.db2.gz JOENLDBRTOVDOE-GUYCJALGSA-N 1 3 303.425 2.967 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000423057965 296373012 /nfs/dbraw/zinc/37/30/12/296373012.db2.gz BDBRNRHABVZYFL-BMGDILEWSA-N 1 3 308.441 2.880 20 0 DFADHO C[C@H](NC[C@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423059358 296373033 /nfs/dbraw/zinc/37/30/33/296373033.db2.gz FKIDQLCDZVIJQG-KFKAGJAMSA-N 1 3 301.478 2.627 20 0 DFADHO C[C@H](CCCC[NH3+])N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000423057724 296373093 /nfs/dbraw/zinc/37/30/93/296373093.db2.gz ZUIGLKSOBGDCEP-DYVFJYSZSA-N 1 3 304.413 2.756 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000423069052 296374485 /nfs/dbraw/zinc/37/44/85/296374485.db2.gz CYCLVMRPXVGFOU-ACJLOTCBSA-N 1 3 305.466 2.831 20 0 DFADHO FC(F)(F)c1ccccc1N1CC[C@H]([NH2+]C2CCNCC2)C1 ZINC000423067344 296374508 /nfs/dbraw/zinc/37/45/08/296374508.db2.gz ZCEKYWPYOYERPX-ZDUSSCGKSA-N 1 3 313.367 2.626 20 0 DFADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000423063359 296373938 /nfs/dbraw/zinc/37/39/38/296373938.db2.gz WEAYDILMYPVYQL-MSOLQXFVSA-N 1 3 321.896 2.948 20 0 DFADHO C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCCCN1C1CC1 ZINC000423075255 296375249 /nfs/dbraw/zinc/37/52/49/296375249.db2.gz OCNHKTWDAPMVQM-OKYOBFRVSA-N 1 3 305.510 2.904 20 0 DFADHO COC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159090304 197326226 /nfs/dbraw/zinc/32/62/26/197326226.db2.gz XWUKTVQMEXXRHM-QZTJIDSGSA-N 1 3 316.445 2.536 20 0 DFADHO COC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159090304 197326227 /nfs/dbraw/zinc/32/62/27/197326227.db2.gz XWUKTVQMEXXRHM-QZTJIDSGSA-N 1 3 316.445 2.536 20 0 DFADHO C[C@H](O)[C@](C)(C[NH2+][C@@H]1CCCC[C@H]1CN)Cc1ccccc1 ZINC000423078500 296375638 /nfs/dbraw/zinc/37/56/38/296375638.db2.gz OQTOTMFXLZTEHP-KANFNMMFSA-N 1 3 304.478 2.723 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000423089357 296377068 /nfs/dbraw/zinc/37/70/68/296377068.db2.gz UXPSUVLCWKJFQI-ZIFCJYIRSA-N 1 3 301.478 2.881 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1ccc(-c2ccco2)cc1F ZINC000423082574 296376454 /nfs/dbraw/zinc/37/64/54/296376454.db2.gz DLUDTLSTOBFNEY-OAHLLOKOSA-N 1 3 306.381 2.929 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423100291 296378293 /nfs/dbraw/zinc/37/82/93/296378293.db2.gz VBAUKSBFAGKZEZ-OGUSLDPUSA-N 1 3 310.388 2.553 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423100291 296378294 /nfs/dbraw/zinc/37/82/94/296378294.db2.gz VBAUKSBFAGKZEZ-OGUSLDPUSA-N 1 3 310.388 2.553 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423100290 296378348 /nfs/dbraw/zinc/37/83/48/296378348.db2.gz VBAUKSBFAGKZEZ-CWKGXVCISA-N 1 3 310.388 2.553 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423100290 296378349 /nfs/dbraw/zinc/37/83/49/296378349.db2.gz VBAUKSBFAGKZEZ-CWKGXVCISA-N 1 3 310.388 2.553 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1OC ZINC000624119543 399559188 /nfs/dbraw/zinc/55/91/88/399559188.db2.gz DSWHZQHYTZPDTI-NVXWUHKLSA-N 1 3 320.477 2.956 20 0 DFADHO COCCCOc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423114058 296379972 /nfs/dbraw/zinc/37/99/72/296379972.db2.gz ZVGMRBHWJDFUHP-AEFFLSMTSA-N 1 3 306.450 2.709 20 0 DFADHO CC(C)Cc1ccc([C@H](CN[C@@H](C)C2C[NH2+]C2)N(C)C)cc1 ZINC000423118512 296380836 /nfs/dbraw/zinc/38/08/36/296380836.db2.gz AXKAZMPLHBZCAL-KXBFYZLASA-N 1 3 303.494 2.685 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423123800 296381269 /nfs/dbraw/zinc/38/12/69/296381269.db2.gz FHUPMYOLJNHBSC-WCQYABFASA-N 1 3 301.356 2.750 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCc1cccc(C(F)(F)F)n1 ZINC000423123800 296381270 /nfs/dbraw/zinc/38/12/70/296381270.db2.gz FHUPMYOLJNHBSC-WCQYABFASA-N 1 3 301.356 2.750 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423123799 296381292 /nfs/dbraw/zinc/38/12/92/296381292.db2.gz FHUPMYOLJNHBSC-DGCLKSJQSA-N 1 3 301.356 2.750 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCc1cccc(C(F)(F)F)n1 ZINC000423123799 296381294 /nfs/dbraw/zinc/38/12/94/296381294.db2.gz FHUPMYOLJNHBSC-DGCLKSJQSA-N 1 3 301.356 2.750 20 0 DFADHO CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)c2ccccc21 ZINC000624124096 399562998 /nfs/dbraw/zinc/56/29/98/399562998.db2.gz XEFPGQBHCFXCRZ-SJLPKXTDSA-N 1 3 315.461 2.806 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1nnc(C(C)C)s1 ZINC000423123152 296381136 /nfs/dbraw/zinc/38/11/36/296381136.db2.gz DHYIWOKVLVMNTK-LLVKDONJSA-N 1 3 319.478 2.717 20 0 DFADHO OC[C@]1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423129373 296382035 /nfs/dbraw/zinc/38/20/35/296382035.db2.gz WYYAUDIHTVZFLX-LASHMREHSA-N 1 3 314.473 2.663 20 0 DFADHO CC(C)c1nnc(CC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)s1 ZINC000423137406 296382904 /nfs/dbraw/zinc/38/29/04/296382904.db2.gz WLKVQLKAZDRPKQ-ZIAGYGMSSA-N 1 3 302.447 2.938 20 0 DFADHO CC(C)c1nnc(CC[NH2+][C@H]2C[C@@H](N)c3ccccc32)s1 ZINC000423137404 296383227 /nfs/dbraw/zinc/38/32/27/296383227.db2.gz WLKVQLKAZDRPKQ-KGLIPLIRSA-N 1 3 302.447 2.938 20 0 DFADHO Cc1cccc2c1OC[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423141394 296383937 /nfs/dbraw/zinc/38/39/37/296383937.db2.gz PQPZPZFLKUVYCQ-ZJPYXAASSA-N 1 3 300.446 2.809 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](O)Cc1cccc(F)c1 ZINC000423142418 296384407 /nfs/dbraw/zinc/38/44/07/296384407.db2.gz AKIZMVHXDSUQGL-ZTFGCOKTSA-N 1 3 308.441 2.630 20 0 DFADHO FC1(F)CCCC[C@@H]1CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423147828 296385166 /nfs/dbraw/zinc/38/51/66/296385166.db2.gz SWACNIJVSGHFQN-CBBWQLFWSA-N 1 3 302.409 2.559 20 0 DFADHO c1ccc2c(c1)CC[C@@H]2CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423150001 296385346 /nfs/dbraw/zinc/38/53/46/296385346.db2.gz YJVBXCKXVCRYFR-BTHPGYMESA-N 1 3 314.473 2.853 20 0 DFADHO Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[C@H](N)c3ccccc32)cc1C ZINC000423157355 296386148 /nfs/dbraw/zinc/38/61/48/296386148.db2.gz ANNTUHGEHZYZGO-UXPWSPDFSA-N 1 3 310.441 2.941 20 0 DFADHO Cc1cccnc1CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423159308 296386600 /nfs/dbraw/zinc/38/66/00/296386600.db2.gz XUJAOGZNRFPHSO-UYAOXDASSA-N 1 3 323.440 2.778 20 0 DFADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000423174468 296388236 /nfs/dbraw/zinc/38/82/36/296388236.db2.gz ATGYFBVZWQGELP-GFCCVEGCSA-N 1 3 316.276 2.939 20 0 DFADHO C[C@H](Cc1cn(C)c2ccc(F)cc12)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000423196312 296391184 /nfs/dbraw/zinc/39/11/84/296391184.db2.gz ZIINASUCNQLJKF-MCIONIFRSA-N 1 3 303.425 2.836 20 0 DFADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OCCN(C)C)c1 ZINC000423206795 296392435 /nfs/dbraw/zinc/39/24/35/296392435.db2.gz DAIUIUIHMMEBKD-QTXGHNMQSA-N 1 3 317.477 2.561 20 0 DFADHO CCc1c2cc(C)ccc2oc1[C@@H](C)NCCN1CC[NH2+]CC1 ZINC000423201724 296391922 /nfs/dbraw/zinc/39/19/22/296391922.db2.gz JESCQXJZLYLHQF-OAHLLOKOSA-N 1 3 315.461 2.859 20 0 DFADHO CC(C)c1cccc2c1OCCC[C@H]2NCCN1CC[NH2+]CC1 ZINC000423201507 296392040 /nfs/dbraw/zinc/39/20/40/296392040.db2.gz IPUBGCXIWOUMFD-GOSISDBHSA-N 1 3 317.477 2.519 20 0 DFADHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1ncc(Br)s1 ZINC000423241607 296396083 /nfs/dbraw/zinc/39/60/83/296396083.db2.gz DKTINBYLORPTHE-DTWKUNHWSA-N 1 3 304.257 2.556 20 0 DFADHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(I)cc1 ZINC000423242114 296396435 /nfs/dbraw/zinc/39/64/35/296396435.db2.gz YNGQULXAINSEAI-UWVGGRQHSA-N 1 3 318.202 2.679 20 0 DFADHO C[C@@H](NCC[C@H]1CC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423247715 296396852 /nfs/dbraw/zinc/39/68/52/296396852.db2.gz LPMCHYAOCQWGMT-VXGBXAGGSA-N 1 3 306.841 2.877 20 0 DFADHO Cn1cc([C@H](NCC[C@H]2CCC[NH2+]C2)c2cccc(F)c2)cn1 ZINC000423256759 296397306 /nfs/dbraw/zinc/39/73/06/296397306.db2.gz FWBWMCSQBQCAML-RDTXWAMCSA-N 1 3 316.424 2.628 20 0 DFADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1ncc(Br)s1 ZINC000423260958 296397871 /nfs/dbraw/zinc/39/78/71/296397871.db2.gz QYUXHJPWRQRGGL-UWVGGRQHSA-N 1 3 318.284 2.946 20 0 DFADHO Cc1c([C@@H](C)NCC[C@@H]2CCC[NH2+]C2)nnn1-c1ccccc1 ZINC000423264769 296398508 /nfs/dbraw/zinc/39/85/08/296398508.db2.gz YYVGLWYKDNPTGV-ZBFHGGJFSA-N 1 3 313.449 2.616 20 0 DFADHO [NH3+]CCCOCCNCc1ccc(Cl)c(Br)c1 ZINC000629400017 399593915 /nfs/dbraw/zinc/59/39/15/399593915.db2.gz ODKCJNIDQUQKRN-UHFFFAOYSA-N 1 3 321.646 2.558 20 0 DFADHO Clc1ccccc1C[C@H](NC[C@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000423337555 296406117 /nfs/dbraw/zinc/40/61/17/296406117.db2.gz KHDCGTMPUXEIBS-RRQGHBQHSA-N 1 3 308.853 2.629 20 0 DFADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423335825 296405574 /nfs/dbraw/zinc/40/55/74/296405574.db2.gz XKGDGUFQMLXVRX-IRXDYDNUSA-N 1 3 317.477 2.655 20 0 DFADHO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000624221893 399602647 /nfs/dbraw/zinc/60/26/47/399602647.db2.gz KLFVKCVWCWNNOA-YJLNNSPDSA-N 1 3 318.461 2.845 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1 ZINC000423368741 296409416 /nfs/dbraw/zinc/40/94/16/296409416.db2.gz FLSDVUBLWLPPMX-KFWWJZLASA-N 1 3 303.450 2.699 20 0 DFADHO Cc1csc(CC[NH2+]C2CCN(c3ccncc3)CC2)n1 ZINC000063132686 542455705 /nfs/dbraw/zinc/45/57/05/542455705.db2.gz GOTOGOHORCGIPU-UHFFFAOYSA-N 1 3 302.447 2.648 20 0 DFADHO COCC1CCC([NH2+]CC2(N)C3CC4CC(C3)CC2C4)CC1 ZINC000423533620 296427179 /nfs/dbraw/zinc/42/71/79/296427179.db2.gz YAJIVUYXFVNXJA-UHFFFAOYSA-N 1 3 306.494 2.935 20 0 DFADHO C[C@@H](NCc1ccc[nH]c1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000624258392 399617640 /nfs/dbraw/zinc/61/76/40/399617640.db2.gz IQNSECFSPWKCAL-CQSZACIVSA-N 1 3 315.417 2.578 20 0 DFADHO C[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cn[nH]c1 ZINC000271563408 209015169 /nfs/dbraw/zinc/01/51/69/209015169.db2.gz URRACCQKELRODR-KBPBESRZSA-N 1 3 302.422 2.762 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(F)c(CN(C)C)c1 ZINC000120898404 195260583 /nfs/dbraw/zinc/26/05/83/195260583.db2.gz JBSALKWBDHBDMB-HBUWYVDXSA-N 1 3 307.457 2.706 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(F)c(CN(C)C)c1 ZINC000120898404 195260585 /nfs/dbraw/zinc/26/05/85/195260585.db2.gz JBSALKWBDHBDMB-HBUWYVDXSA-N 1 3 307.457 2.706 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000120898404 195260587 /nfs/dbraw/zinc/26/05/87/195260587.db2.gz JBSALKWBDHBDMB-HBUWYVDXSA-N 1 3 307.457 2.706 20 0 DFADHO O[C@H](CN1CCC[C@@H](C2CC2)C1)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344052859 285302235 /nfs/dbraw/zinc/30/22/35/285302235.db2.gz INCLPPQNQYUYRX-REPLKXPHSA-N 1 3 306.494 2.591 20 0 DFADHO O[C@H](CN1CCC[C@@H](C2CC2)C1)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344052859 285302236 /nfs/dbraw/zinc/30/22/36/285302236.db2.gz INCLPPQNQYUYRX-REPLKXPHSA-N 1 3 306.494 2.591 20 0 DFADHO O[C@@H](CN1CCC[C@H](C2CC2)C1)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344052859 285302238 /nfs/dbraw/zinc/30/22/38/285302238.db2.gz INCLPPQNQYUYRX-REPLKXPHSA-N 1 3 306.494 2.591 20 0 DFADHO O[C@@H](CN1CCC[C@H](C2CC2)C1)C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344052859 285302239 /nfs/dbraw/zinc/30/22/39/285302239.db2.gz INCLPPQNQYUYRX-REPLKXPHSA-N 1 3 306.494 2.591 20 0 DFADHO FC(F)CN1CCC[C@@H]1CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000629518173 399633001 /nfs/dbraw/zinc/63/30/01/399633001.db2.gz FLYMPLHPVJFKFP-BRWVUGGUSA-N 1 3 323.431 2.799 20 0 DFADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000629524676 399635284 /nfs/dbraw/zinc/63/52/84/399635284.db2.gz SRXXBZLDJIGGPU-NSHDSACASA-N 1 3 302.340 2.864 20 0 DFADHO C[NH2+]CCOCCN[C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000629529457 399636663 /nfs/dbraw/zinc/63/66/63/399636663.db2.gz CZEGTUFHHHXJHB-GOSISDBHSA-N 1 3 318.461 2.605 20 0 DFADHO C[NH2+]CCOCCN[C@H]1CCSc2c(Cl)cccc21 ZINC000629528595 399636907 /nfs/dbraw/zinc/63/69/07/399636907.db2.gz DLGXPRXGFQCLGE-ZDUSSCGKSA-N 1 3 300.855 2.703 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)nc2)C1 ZINC000289951592 221337664 /nfs/dbraw/zinc/33/76/64/221337664.db2.gz WOMCLDNRKBNZGY-NEPJUHHUSA-N 1 3 312.255 2.837 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000289957019 221341013 /nfs/dbraw/zinc/34/10/13/221341013.db2.gz MPEPGYLLOVHISA-OWCLPIDISA-N 1 3 323.506 2.635 20 0 DFADHO Cc1ccc(OC(F)F)c([C@H](C)NCCOCCC[NH3+])c1 ZINC000629536191 399639075 /nfs/dbraw/zinc/63/90/75/399639075.db2.gz GACFXAAWBSHVLA-LBPRGKRZSA-N 1 3 302.365 2.612 20 0 DFADHO C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000294946837 224331251 /nfs/dbraw/zinc/33/12/51/224331251.db2.gz FEHNVBDVAYPTKQ-NXHRZFHOSA-N 1 3 304.503 2.892 20 0 DFADHO C[C@H](NCCOCCC[NH3+])c1ccccc1OC(F)(F)F ZINC000629534475 399638835 /nfs/dbraw/zinc/63/88/35/399638835.db2.gz AIZOQSRFXFOPFW-NSHDSACASA-N 1 3 306.328 2.601 20 0 DFADHO CC(C)(NC[C@@H]1CCC2(C[NH2+]C2)O1)c1nc2ccccc2s1 ZINC000629543743 399641148 /nfs/dbraw/zinc/64/11/48/399641148.db2.gz ATVXJFWGMKUDAA-LBPRGKRZSA-N 1 3 317.458 2.642 20 0 DFADHO [NH3+]CCCOCCN[C@@H]1CCSc2c(Cl)cccc21 ZINC000629541987 399641169 /nfs/dbraw/zinc/64/11/69/399641169.db2.gz VVIQMHYKCINGDP-CYBMUJFWSA-N 1 3 300.855 2.832 20 0 DFADHO O[C@@H](CN[C@H]1C[C@H](c2ccc(Cl)cc2)C1)C[NH+]1CCCC1 ZINC000629579559 399653467 /nfs/dbraw/zinc/65/34/67/399653467.db2.gz TUSPPLPSTXTWHH-XIRDDKMYSA-N 1 3 308.853 2.632 20 0 DFADHO O[C@H](CNC[C@@H]1CCC[C@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000629579512 399654080 /nfs/dbraw/zinc/65/40/80/399654080.db2.gz FGMQPELFBMTYKY-OTWHNJEPSA-N 1 3 302.462 2.617 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000617344515 399670023 /nfs/dbraw/zinc/67/00/23/399670023.db2.gz KOFWDKPSGHSBSK-RDJZCZTQSA-N 1 3 321.509 2.773 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000617344515 399670028 /nfs/dbraw/zinc/67/00/28/399670028.db2.gz KOFWDKPSGHSBSK-RDJZCZTQSA-N 1 3 321.509 2.773 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)C(=O)N1CCCC1 ZINC000629549596 399644380 /nfs/dbraw/zinc/64/43/80/399644380.db2.gz SKYKEGZJGUVVLV-HOTGVXAUSA-N 1 3 309.498 2.535 20 0 DFADHO CC(C)CC[C@@H]1CC[C@@H](NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000629549768 399645663 /nfs/dbraw/zinc/64/56/63/399645663.db2.gz LHAQFLOMLWURJR-INMHGKMJSA-N 1 3 305.470 2.507 20 0 DFADHO O[C@H](CNCC1(c2cccs2)CCCCC1)C[NH+]1CCCC1 ZINC000629564040 399650915 /nfs/dbraw/zinc/65/09/15/399650915.db2.gz JQJIFYGOAQFBMQ-MRXNPFEDSA-N 1 3 322.518 2.996 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000632517547 399681748 /nfs/dbraw/zinc/68/17/48/399681748.db2.gz MMPDROXXLJFHOJ-SPUZQDLCSA-N 1 3 317.477 2.524 20 0 DFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC[N@H+]1C ZINC000632517547 399681755 /nfs/dbraw/zinc/68/17/55/399681755.db2.gz MMPDROXXLJFHOJ-SPUZQDLCSA-N 1 3 317.477 2.524 20 0 DFADHO CN(C)CCOc1cccc(-c2nc3c(s2)C[C@@H]([NH3+])CC3)c1 ZINC000629701684 399695088 /nfs/dbraw/zinc/69/50/88/399695088.db2.gz XYSYZINGIWSEIA-ZDUSSCGKSA-N 1 3 317.458 2.567 20 0 DFADHO CN1CCN(Cc2ccccc2-c2cccc([C@@H]3C[C@H]3[NH3+])c2)CC1 ZINC000629735373 399707560 /nfs/dbraw/zinc/70/75/60/399707560.db2.gz UBPNWEOJZDYZST-LEWJYISDSA-N 1 3 321.468 2.916 20 0 DFADHO CN1CCN(Cc2ccccc2-c2ccc3c(c2)CC[NH2+]C3)CC1 ZINC000629735446 399707716 /nfs/dbraw/zinc/70/77/16/399707716.db2.gz XFNYFBXRPKHVJP-UHFFFAOYSA-N 1 3 321.468 2.747 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000294977720 224354053 /nfs/dbraw/zinc/35/40/53/224354053.db2.gz GGWHNGPRXSXWRJ-ZSYWTGECSA-N 1 3 300.446 2.666 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000294977720 224354055 /nfs/dbraw/zinc/35/40/55/224354055.db2.gz GGWHNGPRXSXWRJ-ZSYWTGECSA-N 1 3 300.446 2.666 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000294977720 224354057 /nfs/dbraw/zinc/35/40/57/224354057.db2.gz GGWHNGPRXSXWRJ-ZSYWTGECSA-N 1 3 300.446 2.666 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cnc(C)s2)CC1 ZINC000090402650 542535671 /nfs/dbraw/zinc/53/56/71/542535671.db2.gz SJFPHRSVRQLZAY-AWEZNQCLSA-N 1 3 310.511 2.520 20 0 DFADHO C[NH+](C)CCOc1ccc(CN2CCSC(C)(C)C2)cc1 ZINC000093504298 542553342 /nfs/dbraw/zinc/55/33/42/542553342.db2.gz NICKEQNCGQOYAH-UHFFFAOYSA-N 1 3 308.491 2.954 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2nc3c(s2)CCC3)C[C@@H](C)O1 ZINC000093066168 542551182 /nfs/dbraw/zinc/55/11/82/542551182.db2.gz COGANLHVGMXQTM-ZIAGYGMSSA-N 1 3 323.506 2.611 20 0 DFADHO CCC[C@H]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507953 399720172 /nfs/dbraw/zinc/72/01/72/399720172.db2.gz PNYCXBKDWLOQRK-ULQDDVLXSA-N 1 3 311.514 2.591 20 0 DFADHO CCC[C@H]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507953 399720176 /nfs/dbraw/zinc/72/01/76/399720176.db2.gz PNYCXBKDWLOQRK-ULQDDVLXSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCCC1(C)C ZINC000617507123 399720628 /nfs/dbraw/zinc/72/06/28/399720628.db2.gz JCMVWFUGGGGDKL-JKSUJKDBSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCCC1(C)C ZINC000617507123 399720631 /nfs/dbraw/zinc/72/06/31/399720631.db2.gz JCMVWFUGGGGDKL-JKSUJKDBSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C1CCC1)C1CCC1 ZINC000617507597 399720890 /nfs/dbraw/zinc/72/08/90/399720890.db2.gz BPJKZYJDXRPYBZ-HNNXBMFYSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C1CCC1)C1CCC1 ZINC000617507597 399720893 /nfs/dbraw/zinc/72/08/93/399720893.db2.gz BPJKZYJDXRPYBZ-HNNXBMFYSA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCCC1(C)C ZINC000617507122 399720354 /nfs/dbraw/zinc/72/03/54/399720354.db2.gz JCMVWFUGGGGDKL-HOTGVXAUSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCCC1(C)C ZINC000617507122 399720360 /nfs/dbraw/zinc/72/03/60/399720360.db2.gz JCMVWFUGGGGDKL-HOTGVXAUSA-N 1 3 311.514 2.591 20 0 DFADHO COC(=O)c1ccc([C@H](C)N2CCC(CC[NH+](C)C)CC2)o1 ZINC000121658680 195325124 /nfs/dbraw/zinc/32/51/24/195325124.db2.gz CTMQOAFRWWNFSY-ZDUSSCGKSA-N 1 3 308.422 2.791 20 0 DFADHO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000348124687 285365886 /nfs/dbraw/zinc/36/58/86/285365886.db2.gz NLFJVMWZJXTCDZ-IEBWSBKVSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123532273 195592806 /nfs/dbraw/zinc/59/28/06/195592806.db2.gz VSFMWFZQUKTPTC-IRXDYDNUSA-N 1 3 323.525 2.830 20 0 DFADHO CC(C)C[C@H](C)C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000348133401 285372234 /nfs/dbraw/zinc/37/22/34/285372234.db2.gz LLFGCWBBJDYINR-INIZCTEOSA-N 1 3 319.493 2.750 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccnc(C)c2)CC1 ZINC000621271947 399740389 /nfs/dbraw/zinc/74/03/89/399740389.db2.gz YYKJOCPBEMRXBT-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccnc(C)c2)CC1 ZINC000621271947 399740392 /nfs/dbraw/zinc/74/03/92/399740392.db2.gz YYKJOCPBEMRXBT-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO CC[N@H+](CCc1cncn1C)Cc1ccc(CN(C)C)cc1 ZINC000626062852 399741414 /nfs/dbraw/zinc/74/14/14/399741414.db2.gz JHAHCUVFNILMKX-UHFFFAOYSA-N 1 3 300.450 2.546 20 0 DFADHO CC[N@@H+](CCc1cncn1C)Cc1ccc(CN(C)C)cc1 ZINC000626062852 399741418 /nfs/dbraw/zinc/74/14/18/399741418.db2.gz JHAHCUVFNILMKX-UHFFFAOYSA-N 1 3 300.450 2.546 20 0 DFADHO CC[N@H+](CCc1ccnn1C)Cc1ccc(CN(C)C)cc1 ZINC000626063332 399742379 /nfs/dbraw/zinc/74/23/79/399742379.db2.gz ZRGBTKBSWCVSLS-UHFFFAOYSA-N 1 3 300.450 2.546 20 0 DFADHO CC[N@@H+](CCc1ccnn1C)Cc1ccc(CN(C)C)cc1 ZINC000626063332 399742383 /nfs/dbraw/zinc/74/23/83/399742383.db2.gz ZRGBTKBSWCVSLS-UHFFFAOYSA-N 1 3 300.450 2.546 20 0 DFADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@@H](OC)[C@@H]1CCOC1 ZINC000626063938 399742906 /nfs/dbraw/zinc/74/29/06/399742906.db2.gz WAFIXKXYQHIJGN-RTBURBONSA-N 1 3 320.477 2.622 20 0 DFADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@@H](OC)[C@@H]1CCOC1 ZINC000626063938 399742909 /nfs/dbraw/zinc/74/29/09/399742909.db2.gz WAFIXKXYQHIJGN-RTBURBONSA-N 1 3 320.477 2.622 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121055348 542582401 /nfs/dbraw/zinc/58/24/01/542582401.db2.gz SNAMXIPTPMVRQH-GOSISDBHSA-N 1 3 323.431 2.569 20 0 DFADHO COc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000309664805 533669141 /nfs/dbraw/zinc/66/91/41/533669141.db2.gz OOQJYIWJTIHUFM-SFHVURJKSA-N 1 3 311.429 2.702 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCc2c1cc(F)cc2F ZINC000121529016 542585046 /nfs/dbraw/zinc/58/50/46/542585046.db2.gz DLHFASCDZJPJHB-GUYCJALGSA-N 1 3 312.404 2.899 20 0 DFADHO C[NH+](C)C1CCN(CCN[C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121501580 542585389 /nfs/dbraw/zinc/58/53/89/542585389.db2.gz YMWMYHAYFRZXCV-GOSISDBHSA-N 1 3 323.431 2.568 20 0 DFADHO C/C=C\C[C@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000626162673 399781637 /nfs/dbraw/zinc/78/16/37/399781637.db2.gz XPQXQYBRTHZFJJ-CHYADLBTSA-N 1 3 321.509 2.654 20 0 DFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)CN(C)C1CCC1)[NH+](C)C ZINC000629990567 399784215 /nfs/dbraw/zinc/78/42/15/399784215.db2.gz CTGCDPNDJIQARQ-KXBFYZLASA-N 1 3 317.477 2.587 20 0 DFADHO C[C@@H](CCNC(=O)c1oc2ccccc2c1CN(C)C)[NH+](C)C ZINC000617752140 399789646 /nfs/dbraw/zinc/78/96/46/399789646.db2.gz KIEHWJGNNVFQNL-ZDUSSCGKSA-N 1 3 317.433 2.564 20 0 DFADHO Cc1nccn1CCCCN1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000162588581 542737580 /nfs/dbraw/zinc/73/75/80/542737580.db2.gz HLOKRRVPYPWMGJ-MRXNPFEDSA-N 1 3 304.482 2.920 20 0 DFADHO Cc1nccn1CCCCN1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000162588581 542737582 /nfs/dbraw/zinc/73/75/82/542737582.db2.gz HLOKRRVPYPWMGJ-MRXNPFEDSA-N 1 3 304.482 2.920 20 0 DFADHO COc1ccc(OCCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166294726 542751423 /nfs/dbraw/zinc/75/14/23/542751423.db2.gz IJOPBUUXKSAXEA-HZPDHXFCSA-N 1 3 304.434 2.681 20 0 DFADHO COc1ccc(OCCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166294726 542751428 /nfs/dbraw/zinc/75/14/28/542751428.db2.gz IJOPBUUXKSAXEA-HZPDHXFCSA-N 1 3 304.434 2.681 20 0 DFADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N(C)Cc1ccccc1 ZINC000166563580 542751504 /nfs/dbraw/zinc/75/15/04/542751504.db2.gz FUVPKSLYIIMZGG-NZSAHSFTSA-N 1 3 301.478 2.723 20 0 DFADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)N(C)Cc1ccccc1 ZINC000166563580 542751509 /nfs/dbraw/zinc/75/15/09/542751509.db2.gz FUVPKSLYIIMZGG-NZSAHSFTSA-N 1 3 301.478 2.723 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)CC1([NH3+])CCC1)c1ccsc1 ZINC000164905377 542747485 /nfs/dbraw/zinc/74/74/85/542747485.db2.gz NDOLQHZODDVSLK-AWEZNQCLSA-N 1 3 309.479 2.519 20 0 DFADHO CC(C)[NH2+]CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000167541381 542753308 /nfs/dbraw/zinc/75/33/08/542753308.db2.gz LWFQCDFMOTZHNJ-AEFFLSMTSA-N 1 3 317.477 2.544 20 0 DFADHO CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)C1CCN(C)CC1 ZINC000424157912 296488824 /nfs/dbraw/zinc/48/88/24/296488824.db2.gz RZEABXMMBBOGLQ-MRXNPFEDSA-N 1 3 309.498 2.617 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)Nc2cc(C)cc(CN)c2)CC1 ZINC000632953063 399807379 /nfs/dbraw/zinc/80/73/79/399807379.db2.gz OZOQPVAROISHDC-UHFFFAOYSA-N 1 3 318.465 2.792 20 0 DFADHO CC1CCN([C@@H](CNC(=O)CC(C)(C)[NH3+])c2cccs2)CC1 ZINC000236720221 542896916 /nfs/dbraw/zinc/89/69/16/542896916.db2.gz ZUNWGPJKROXDEF-AWEZNQCLSA-N 1 3 323.506 2.765 20 0 DFADHO Cc1cc(NC(=O)CC(C)(C)[NH3+])ccc1OCCN1CCCC1 ZINC000237744338 542905722 /nfs/dbraw/zinc/90/57/22/542905722.db2.gz XSNFCHZFTPHIGO-UHFFFAOYSA-N 1 3 319.449 2.536 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2c[nH]nc2C)[C@@H](C)C1 ZINC000245882431 542918142 /nfs/dbraw/zinc/91/81/42/542918142.db2.gz BGKLGOIHXNFPHI-VBQJREDUSA-N 1 3 308.470 2.506 20 0 DFADHO CN[C@@H](CC(C)(C)C)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000449194709 297421168 /nfs/dbraw/zinc/42/11/68/297421168.db2.gz XXFMLNKBIUKXCQ-LBPRGKRZSA-N 1 3 324.494 2.573 20 0 DFADHO Cc1cccc(C)c1OCCN1CCC(OCCC[NH3+])CC1 ZINC000348749013 285657683 /nfs/dbraw/zinc/65/76/83/285657683.db2.gz MCQPYPLHBRJSSW-UHFFFAOYSA-N 1 3 306.450 2.512 20 0 DFADHO COc1cc2c(cc1OC)CN(CCCC1CC[NH2+]CC1)CC2 ZINC000320432860 543082309 /nfs/dbraw/zinc/08/23/09/543082309.db2.gz VEQRTKYIKSEZEA-UHFFFAOYSA-N 1 3 318.461 2.842 20 0 DFADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000321977570 543087355 /nfs/dbraw/zinc/08/73/55/543087355.db2.gz BXXGYHZAMQQNDQ-HNNXBMFYSA-N 1 3 321.465 2.706 20 0 DFADHO COc1ccc(CCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000339069790 543140015 /nfs/dbraw/zinc/14/00/15/543140015.db2.gz LIZDMCSWEQLGCI-IRXDYDNUSA-N 1 3 318.461 2.853 20 0 DFADHO COc1ccc(CCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000339069790 543140017 /nfs/dbraw/zinc/14/00/17/543140017.db2.gz LIZDMCSWEQLGCI-IRXDYDNUSA-N 1 3 318.461 2.853 20 0 DFADHO COc1ccc(OCCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339074055 543140504 /nfs/dbraw/zinc/14/05/04/543140504.db2.gz IJOPBUUXKSAXEA-CVEARBPZSA-N 1 3 304.434 2.681 20 0 DFADHO COc1ccc(OCCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339074055 543140507 /nfs/dbraw/zinc/14/05/07/543140507.db2.gz IJOPBUUXKSAXEA-CVEARBPZSA-N 1 3 304.434 2.681 20 0 DFADHO CC(C)C([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)C ZINC000681217195 545612794 /nfs/dbraw/zinc/61/27/94/545612794.db2.gz OOVZQPJNYXBIDV-QGZVFWFLSA-N 1 3 319.493 2.676 20 0 DFADHO C[C@H](CC[N@H+](C)CC[C@H]1CCCO1)N(C)CC[C@H]1CCCO1 ZINC000342592227 543163403 /nfs/dbraw/zinc/16/34/03/543163403.db2.gz NWZKLVKQWVQUSR-KZNAEPCWSA-N 1 3 312.498 2.767 20 0 DFADHO C[C@H](CC[N@@H+](C)CC[C@H]1CCCO1)N(C)CC[C@H]1CCCO1 ZINC000342592227 543163406 /nfs/dbraw/zinc/16/34/06/543163406.db2.gz NWZKLVKQWVQUSR-KZNAEPCWSA-N 1 3 312.498 2.767 20 0 DFADHO CCN(C[C@H]1CCCO1)[C@@H](C)CC[N@H+](CC)C[C@H]1CCCO1 ZINC000343606528 543168164 /nfs/dbraw/zinc/16/81/64/543168164.db2.gz XLNKJEYRXOCXPH-RCCFBDPRSA-N 1 3 312.498 2.767 20 0 DFADHO CCN(C[C@H]1CCCO1)[C@@H](C)CC[N@@H+](CC)C[C@H]1CCCO1 ZINC000343606528 543168166 /nfs/dbraw/zinc/16/81/66/543168166.db2.gz XLNKJEYRXOCXPH-RCCFBDPRSA-N 1 3 312.498 2.767 20 0 DFADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CC[C@@H]1C1CC1 ZINC000343993153 543170238 /nfs/dbraw/zinc/17/02/38/543170238.db2.gz ROIVPGZAQWLEFA-SJORKVTESA-N 1 3 303.450 2.690 20 0 DFADHO CCC[C@H](C)CCC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000625249688 399867662 /nfs/dbraw/zinc/86/76/62/399867662.db2.gz ZVSBGLRDUCXQMB-INIZCTEOSA-N 1 3 311.514 2.593 20 0 DFADHO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000353628855 543237172 /nfs/dbraw/zinc/23/71/72/543237172.db2.gz CNBYNPOHANALIR-QZTJIDSGSA-N 1 3 317.477 2.502 20 0 DFADHO COc1cc2c(cc1OC)[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000358758338 543269205 /nfs/dbraw/zinc/26/92/05/543269205.db2.gz SELUSGCKKRCWIK-XNRPHZJLSA-N 1 3 304.434 2.763 20 0 DFADHO COc1cc2c(cc1OC)[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000358758338 543269207 /nfs/dbraw/zinc/26/92/07/543269207.db2.gz SELUSGCKKRCWIK-XNRPHZJLSA-N 1 3 304.434 2.763 20 0 DFADHO C[C@@H](NCc1ccn(Cc2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000389959369 543305142 /nfs/dbraw/zinc/30/51/42/543305142.db2.gz GPMSPQZODVRGSG-MRXNPFEDSA-N 1 3 312.461 2.751 20 0 DFADHO CC(C)[C@H](O)CC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000165358835 145229936 /nfs/dbraw/zinc/22/99/36/145229936.db2.gz YONPGNAWZPVPAT-CRAIPNDOSA-N 1 3 308.466 2.685 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N(CC)C1CCN(C)CC1 ZINC000627619079 399947758 /nfs/dbraw/zinc/94/77/58/399947758.db2.gz RZOJRQSOOVKGBP-UHFFFAOYSA-N 1 3 311.514 2.831 20 0 DFADHO CC[C@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)N(CC)CC ZINC000633944232 399963458 /nfs/dbraw/zinc/96/34/58/399963458.db2.gz NXXNSSGUDACQDQ-MRXNPFEDSA-N 1 3 309.498 2.584 20 0 DFADHO Cc1scc(C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c1C ZINC000631070452 399974060 /nfs/dbraw/zinc/97/40/60/399974060.db2.gz ZCIKQXFGAJOFFD-MRXNPFEDSA-N 1 3 307.507 2.623 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000628544332 400039544 /nfs/dbraw/zinc/03/95/44/400039544.db2.gz DLXBOLRBHRAUMO-ZBFHGGJFSA-N 1 3 309.498 2.676 20 0 DFADHO c1cc(CNCC2CC[NH+](C3CC3)CC2)n(CC2CCC2)n1 ZINC000631119666 399984227 /nfs/dbraw/zinc/98/42/27/399984227.db2.gz DGYKZDUZTKROCU-UHFFFAOYSA-N 1 3 302.466 2.647 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)[C@@H](C)O1 ZINC000631195707 400000848 /nfs/dbraw/zinc/00/08/48/400000848.db2.gz ZXMPXWDZNOOJRZ-SGFSRKTBSA-N 1 3 302.462 2.910 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)O1 ZINC000631195707 400000849 /nfs/dbraw/zinc/00/08/49/400000849.db2.gz ZXMPXWDZNOOJRZ-SGFSRKTBSA-N 1 3 302.462 2.910 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)O1 ZINC000631195707 400000850 /nfs/dbraw/zinc/00/08/50/400000850.db2.gz ZXMPXWDZNOOJRZ-SGFSRKTBSA-N 1 3 302.462 2.910 20 0 DFADHO Cc1ccc([C@H](C)C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000628214881 400002999 /nfs/dbraw/zinc/00/29/99/400002999.db2.gz QIYPKZNECNFXPH-IEBWSBKVSA-N 1 3 315.505 2.857 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000631655717 400062616 /nfs/dbraw/zinc/06/26/16/400062616.db2.gz WNPDFAMKCRACET-KVPRVUCYSA-N 1 3 310.388 2.867 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000631655717 400062618 /nfs/dbraw/zinc/06/26/18/400062618.db2.gz WNPDFAMKCRACET-KVPRVUCYSA-N 1 3 310.388 2.867 20 0 DFADHO CCN1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667160 400064414 /nfs/dbraw/zinc/06/44/14/400064414.db2.gz LQBNNVGIFBKRPB-HKUYNNGSSA-N 1 3 315.505 2.828 20 0 DFADHO C[N@H+](CCC(=O)NC[C@@H]1CCN1C1CCCC1)C1CCCCC1 ZINC000628965034 400066740 /nfs/dbraw/zinc/06/67/40/400066740.db2.gz SZLDKRJTMKIYNZ-SFHVURJKSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@@H+](CCC(=O)NC[C@@H]1CCN1C1CCCC1)C1CCCCC1 ZINC000628965034 400066742 /nfs/dbraw/zinc/06/67/42/400066742.db2.gz SZLDKRJTMKIYNZ-SFHVURJKSA-N 1 3 321.509 2.774 20 0 DFADHO CN1CC[C@H]([NH+]2CCN(c3cccc(F)c3)CC2)CC1(C)C ZINC000631790268 400075305 /nfs/dbraw/zinc/07/53/05/400075305.db2.gz KVQLIDLJJNVKKV-KRWDZBQOSA-N 1 3 305.441 2.821 20 0 DFADHO Cc1cc(C)c(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(C)n1 ZINC000631828322 400078107 /nfs/dbraw/zinc/07/81/07/400078107.db2.gz LPULEUUONVSMSC-OALUTQOASA-N 1 3 317.477 2.725 20 0 DFADHO C[C@H](NCCOCC[NH+](C)C)c1ccccc1OC(F)F ZINC000219317570 146000526 /nfs/dbraw/zinc/00/05/26/146000526.db2.gz KRFFZJGYSBHKOH-LBPRGKRZSA-N 1 3 302.365 2.517 20 0 DFADHO CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236843568 146030696 /nfs/dbraw/zinc/03/06/96/146030696.db2.gz HVCBFGWCFIJDNI-SZMVWBNQSA-N 1 3 317.477 2.673 20 0 DFADHO CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236843568 146030699 /nfs/dbraw/zinc/03/06/99/146030699.db2.gz HVCBFGWCFIJDNI-SZMVWBNQSA-N 1 3 317.477 2.673 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)c1ccsc1 ZINC000236886762 146031418 /nfs/dbraw/zinc/03/14/18/146031418.db2.gz DCFKCTBMTBIKIS-WBVHZDCISA-N 1 3 323.506 2.779 20 0 DFADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000245566412 146083323 /nfs/dbraw/zinc/08/33/23/146083323.db2.gz SOBHSGHIFPYWDN-GUDVDZBRSA-N 1 3 305.510 2.833 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000245586604 146085381 /nfs/dbraw/zinc/08/53/81/146085381.db2.gz DYISIGCXXRQRDV-MOPGFXCFSA-N 1 3 302.462 2.804 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000245586604 146085382 /nfs/dbraw/zinc/08/53/82/146085382.db2.gz DYISIGCXXRQRDV-MOPGFXCFSA-N 1 3 302.462 2.804 20 0 DFADHO O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000249038460 146184836 /nfs/dbraw/zinc/18/48/36/146184836.db2.gz GKESKQXWQQGAHL-OMQSBVIBSA-N 1 3 314.473 2.648 20 0 DFADHO C[C@@H](O)C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000249060143 146185718 /nfs/dbraw/zinc/18/57/18/146185718.db2.gz ZRNFHBDEFNISKE-YARHPZGWSA-N 1 3 302.462 2.756 20 0 DFADHO C[C@@H](O)C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000249060143 146185721 /nfs/dbraw/zinc/18/57/21/146185721.db2.gz ZRNFHBDEFNISKE-YARHPZGWSA-N 1 3 302.462 2.756 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CCN1C ZINC000249158051 146190316 /nfs/dbraw/zinc/19/03/16/146190316.db2.gz XQICSZKVXIJUAK-QRQLOZEOSA-N 1 3 301.478 2.581 20 0 DFADHO CCN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261556874 146240933 /nfs/dbraw/zinc/24/09/33/146240933.db2.gz WKXSYEJVGDTXQD-RBUKOAKNSA-N 1 3 301.478 2.582 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(OC(F)(F)F)cc3)C[C@@H]12 ZINC000261716340 146264767 /nfs/dbraw/zinc/26/47/67/146264767.db2.gz PPEGQQJAQXDAFX-IACUBPJLSA-N 1 3 300.324 2.754 20 0 DFADHO CC(C)(C)c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)s1 ZINC000261731760 146268043 /nfs/dbraw/zinc/26/80/43/146268043.db2.gz RIDUFKZXSRFJPE-CQSZACIVSA-N 1 3 307.507 2.525 20 0 DFADHO C[NH2+]CCC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000261751364 146270320 /nfs/dbraw/zinc/27/03/20/146270320.db2.gz CDZVKLHSJCWVDB-UHFFFAOYSA-N 1 3 304.463 2.960 20 0 DFADHO C[C@H]1C[C@@H](c2nc(-c3ccc(CN(C)C)cc3)no2)CC[NH2+]1 ZINC000261793781 146277561 /nfs/dbraw/zinc/27/75/61/146277561.db2.gz ORNYCAMNANNWRC-WFASDCNBSA-N 1 3 300.406 2.654 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000261813567 146281890 /nfs/dbraw/zinc/28/18/90/146281890.db2.gz AEAZWKUWRSAYOG-ILXRZTDVSA-N 1 3 321.431 2.771 20 0 DFADHO C[C@H]([NH3+])C1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000261989879 146316824 /nfs/dbraw/zinc/31/68/24/146316824.db2.gz SFNRELSWPWKZFX-AWEZNQCLSA-N 1 3 316.424 2.630 20 0 DFADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000261985463 146317711 /nfs/dbraw/zinc/31/77/11/146317711.db2.gz JTUKNINUCCRPBH-JKSUJKDBSA-N 1 3 317.477 2.574 20 0 DFADHO CCN(C)c1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000261999405 146318764 /nfs/dbraw/zinc/31/87/64/146318764.db2.gz TYLPKAOOJHWYJP-KRWDZBQOSA-N 1 3 302.466 2.502 20 0 DFADHO C[NH2+]CCC1CCN(Cc2cc(OC)c(OC)cc2C)CC1 ZINC000262015684 146322161 /nfs/dbraw/zinc/32/21/61/146322161.db2.gz WYBFLWBFXGXIMC-UHFFFAOYSA-N 1 3 306.450 2.834 20 0 DFADHO CCC[N@H+](Cc1ccc2c(c1)sc(=O)n2C)C1CCNCC1 ZINC000262020238 146323796 /nfs/dbraw/zinc/32/37/96/146323796.db2.gz WAVBZHCJGGXHKF-UHFFFAOYSA-N 1 3 319.474 2.564 20 0 DFADHO CCC[N@@H+](Cc1ccc2c(c1)sc(=O)n2C)C1CCNCC1 ZINC000262020238 146323799 /nfs/dbraw/zinc/32/37/99/146323799.db2.gz WAVBZHCJGGXHKF-UHFFFAOYSA-N 1 3 319.474 2.564 20 0 DFADHO CCC[C@@](C)(N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000262095158 146333418 /nfs/dbraw/zinc/33/34/18/146333418.db2.gz BHCGPSPJMLXYTM-GOSISDBHSA-N 1 3 309.498 2.619 20 0 DFADHO CCC[C@@](C)(N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000262095158 146333421 /nfs/dbraw/zinc/33/34/21/146333421.db2.gz BHCGPSPJMLXYTM-GOSISDBHSA-N 1 3 309.498 2.619 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3ccccc3Cl)C[C@H]21 ZINC000262099672 146333597 /nfs/dbraw/zinc/33/35/97/146333597.db2.gz ISSDVUPJBCMQMZ-UMVBOHGHSA-N 1 3 321.852 2.728 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3cccc(Cl)c3)C[C@@H]21 ZINC000262344636 146352667 /nfs/dbraw/zinc/35/26/67/146352667.db2.gz UPQNJXWBOZWNJV-VBNZEHGJSA-N 1 3 321.852 2.728 20 0 DFADHO CN(CCO)C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000354393713 147020427 /nfs/dbraw/zinc/02/04/27/147020427.db2.gz OSVIQPMDQNJQST-UHFFFAOYSA-N 1 3 310.869 2.661 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)N1CCCCC1 ZINC000354809736 147159565 /nfs/dbraw/zinc/15/95/65/147159565.db2.gz IVSZEMXJSAKLOV-QZTJIDSGSA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)N1CCCCC1 ZINC000354809736 147159568 /nfs/dbraw/zinc/15/95/68/147159568.db2.gz IVSZEMXJSAKLOV-QZTJIDSGSA-N 1 3 323.525 2.734 20 0 DFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000516673029 543424250 /nfs/dbraw/zinc/42/42/50/543424250.db2.gz IBWXOBVZHAUXEL-RBUKOAKNSA-N 1 3 302.462 2.948 20 0 DFADHO C[C@H](O)CCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000355318657 147262078 /nfs/dbraw/zinc/26/20/78/147262078.db2.gz QMNUARZCBJHISG-INIZCTEOSA-N 1 3 305.466 2.781 20 0 DFADHO C[C@H](O)CCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000355318657 147262082 /nfs/dbraw/zinc/26/20/82/147262082.db2.gz QMNUARZCBJHISG-INIZCTEOSA-N 1 3 305.466 2.781 20 0 DFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000355408922 147303440 /nfs/dbraw/zinc/30/34/40/147303440.db2.gz LARGOHQDHVAGMC-IRXDYDNUSA-N 1 3 311.514 2.686 20 0 DFADHO COc1cc2c(c(CNCC3(C)CC[NH+](C)CC3)c1)O[C@@H](C)C2 ZINC000355780405 147447546 /nfs/dbraw/zinc/44/75/46/147447546.db2.gz WCKSMDPLQPSVCX-AWEZNQCLSA-N 1 3 318.461 2.840 20 0 DFADHO CCc1cccnc1[C@H](C)[NH2+]C[C@@H](C)CN1CCN(CC)CC1 ZINC000356908432 147847908 /nfs/dbraw/zinc/84/79/08/147847908.db2.gz XPGHKGGPJJSYDY-SJORKVTESA-N 1 3 318.509 2.568 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CN1CCC(C[NH+](C)C)CC1 ZINC000350144995 286010635 /nfs/dbraw/zinc/01/06/35/286010635.db2.gz GNPFZFNQXSWHLH-UHFFFAOYSA-N 1 3 312.461 2.954 20 0 DFADHO C[NH+](C)CC1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000350176636 286015233 /nfs/dbraw/zinc/01/52/33/286015233.db2.gz NHLSZLYZGJBGMF-UHFFFAOYSA-N 1 3 316.474 2.979 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000357788816 148122714 /nfs/dbraw/zinc/12/27/14/148122714.db2.gz DBNVKSQLODAJSZ-CXAGYDPISA-N 1 3 317.408 2.953 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000357788816 148122718 /nfs/dbraw/zinc/12/27/18/148122718.db2.gz DBNVKSQLODAJSZ-CXAGYDPISA-N 1 3 317.408 2.953 20 0 DFADHO Cc1cccc(CCCNCc2cc(C3CC[NH2+]CC3)no2)n1 ZINC000425896020 296603217 /nfs/dbraw/zinc/60/32/17/296603217.db2.gz MOZUQSBZFIQFBK-UHFFFAOYSA-N 1 3 314.433 2.567 20 0 DFADHO CC(C)c1ccc2c(c1)[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)CCC2 ZINC000358251560 148303124 /nfs/dbraw/zinc/30/31/24/148303124.db2.gz KRLXCTWLCMVXBS-OALUTQOASA-N 1 3 302.462 2.844 20 0 DFADHO CC(C)c1ccc2c(c1)[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)CCC2 ZINC000358251560 148303128 /nfs/dbraw/zinc/30/31/28/148303128.db2.gz KRLXCTWLCMVXBS-OALUTQOASA-N 1 3 302.462 2.844 20 0 DFADHO CCCN(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000358569317 148388236 /nfs/dbraw/zinc/38/82/36/148388236.db2.gz VPGZMJBGSUNYDA-KRWDZBQOSA-N 1 3 305.466 2.528 20 0 DFADHO CCN1CCN(c2ccccc2C[N@H+](CC)C[C@H](C)OC)CC1 ZINC000361018333 149008575 /nfs/dbraw/zinc/00/85/75/149008575.db2.gz RWHUFMLOFCPWBP-KRWDZBQOSA-N 1 3 319.493 2.685 20 0 DFADHO CCN1CCN(c2ccccc2C[N@@H+](CC)C[C@H](C)OC)CC1 ZINC000361018333 149008576 /nfs/dbraw/zinc/00/85/76/149008576.db2.gz RWHUFMLOFCPWBP-KRWDZBQOSA-N 1 3 319.493 2.685 20 0 DFADHO CC(C)[NH+]1CCC(Nc2cccc(CN3CC[C@H](O)C3)c2)CC1 ZINC000361044166 149016560 /nfs/dbraw/zinc/01/65/60/149016560.db2.gz KJVRIRKDSYUIMH-IBGZPJMESA-N 1 3 317.477 2.538 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc(OCCN(C)C)c1 ZINC000361075565 149023060 /nfs/dbraw/zinc/02/30/60/149023060.db2.gz HJKMDUJVOSWSLY-WBVHZDCISA-N 1 3 317.477 2.514 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@@H](C[NH3+])c3ccccc3)n2)cc1 ZINC000350781508 286087259 /nfs/dbraw/zinc/08/72/59/286087259.db2.gz GIDMUMDRRZTSBM-KRWDZBQOSA-N 1 3 322.412 2.889 20 0 DFADHO Cc1nn(C(C)C)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000361887211 149246419 /nfs/dbraw/zinc/24/64/19/149246419.db2.gz CUKNFTYJIMMOEH-IYBDPMFKSA-N 1 3 322.497 2.751 20 0 DFADHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Cl)s1 ZINC000361889450 149247944 /nfs/dbraw/zinc/24/79/44/149247944.db2.gz PZKPFHVLTLVLQX-LLVKDONJSA-N 1 3 302.871 2.899 20 0 DFADHO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000361970013 149267663 /nfs/dbraw/zinc/26/76/63/149267663.db2.gz FEASUMZQBDYZOG-JOMPHRNESA-N 1 3 315.505 2.683 20 0 DFADHO Cc1cc(C)n(-c2ccc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2)n1 ZINC000351479513 286130718 /nfs/dbraw/zinc/13/07/18/286130718.db2.gz RIZIOUGDKFODCM-YTQUADARSA-N 1 3 310.445 2.658 20 0 DFADHO C[N@H+](C[C@H](O)CN1CCCC[C@H]1Cc1ccccc1)C1CC1 ZINC000351493280 286134657 /nfs/dbraw/zinc/13/46/57/286134657.db2.gz VFPPJOVIDRKTLQ-OALUTQOASA-N 1 3 302.462 2.539 20 0 DFADHO C[N@@H+](C[C@H](O)CN1CCCC[C@H]1Cc1ccccc1)C1CC1 ZINC000351493280 286134658 /nfs/dbraw/zinc/13/46/58/286134658.db2.gz VFPPJOVIDRKTLQ-OALUTQOASA-N 1 3 302.462 2.539 20 0 DFADHO Cc1ccc(CCN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371295590 150017357 /nfs/dbraw/zinc/01/73/57/150017357.db2.gz SRRJBLBZCWWKMD-GUDVDZBRSA-N 1 3 302.462 2.721 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2c3ccccc3CC[C@@H]2N(C)C)CC[N@@H+]1C ZINC000371484240 150054440 /nfs/dbraw/zinc/05/44/40/150054440.db2.gz BKJPALUGXNECEZ-JZGRTCEGSA-N 1 3 301.478 2.676 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2c3ccccc3CC[C@@H]2N(C)C)CC[N@H+]1C ZINC000371484240 150054442 /nfs/dbraw/zinc/05/44/42/150054442.db2.gz BKJPALUGXNECEZ-JZGRTCEGSA-N 1 3 301.478 2.676 20 0 DFADHO Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000371723986 150086591 /nfs/dbraw/zinc/08/65/91/150086591.db2.gz OMNIVFAGCGRWOS-PKOBYXMFSA-N 1 3 312.461 2.820 20 0 DFADHO Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000371723985 150086864 /nfs/dbraw/zinc/08/68/64/150086864.db2.gz OMNIVFAGCGRWOS-MJGOQNOKSA-N 1 3 312.461 2.820 20 0 DFADHO Cc1ncc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000351751253 286209776 /nfs/dbraw/zinc/20/97/76/286209776.db2.gz AHWVQIAWHCCTCB-UHFFFAOYSA-N 1 3 311.433 2.528 20 0 DFADHO CC(=O)CC[NH+]1CCC2(CCN(Cc3ccccc3)C2)CC1 ZINC000378302088 150785123 /nfs/dbraw/zinc/78/51/23/150785123.db2.gz TXEYLBOHYOPSMX-UHFFFAOYSA-N 1 3 300.446 2.954 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000351857457 286233177 /nfs/dbraw/zinc/23/31/77/286233177.db2.gz BMALPNVHIOQEDT-WCQYABFASA-N 1 3 320.824 2.602 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000351857458 286233346 /nfs/dbraw/zinc/23/33/46/286233346.db2.gz BMALPNVHIOQEDT-YPMHNXCESA-N 1 3 320.824 2.602 20 0 DFADHO O[C@@H](CNC1CC(c2ccccc2Cl)C1)C[NH+]1CCCC1 ZINC000352221825 286321686 /nfs/dbraw/zinc/32/16/86/286321686.db2.gz OALNAKQGVKZSGY-NRXISQOPSA-N 1 3 308.853 2.632 20 0 DFADHO COc1ccc([C@@H](C)NCC2=CC[N@H+](C)CC2)cc1NC(C)=O ZINC000271841184 286355040 /nfs/dbraw/zinc/35/50/40/286355040.db2.gz GXIRUUJHYKTXCL-CYBMUJFWSA-N 1 3 317.433 2.566 20 0 DFADHO COc1ccc([C@@H](C)NCC2=CC[N@@H+](C)CC2)cc1NC(C)=O ZINC000271841184 286355044 /nfs/dbraw/zinc/35/50/44/286355044.db2.gz GXIRUUJHYKTXCL-CYBMUJFWSA-N 1 3 317.433 2.566 20 0 DFADHO Cc1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)ncn1 ZINC000428291550 296689292 /nfs/dbraw/zinc/68/92/92/296689292.db2.gz BACLGOKDGRSYJZ-UHFFFAOYSA-N 1 3 302.466 2.873 20 0 DFADHO CCC[C@H](NC(C)C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000353160281 286566746 /nfs/dbraw/zinc/56/67/46/286566746.db2.gz YBINRXNSWXBBJM-KRWDZBQOSA-N 1 3 305.466 2.896 20 0 DFADHO Cc1cccc2c1ncc(C)c2NCC1CC[NH+](CCO)CC1 ZINC000185298078 158053193 /nfs/dbraw/zinc/05/31/93/158053193.db2.gz BIFWKVSJRGFYJI-UHFFFAOYSA-N 1 3 313.445 2.968 20 0 DFADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000246809300 158100913 /nfs/dbraw/zinc/10/09/13/158100913.db2.gz AMYDXYHIALEMNV-BPUTZDHNSA-N 1 3 304.434 2.981 20 0 DFADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000246809300 158100914 /nfs/dbraw/zinc/10/09/14/158100914.db2.gz AMYDXYHIALEMNV-BPUTZDHNSA-N 1 3 304.434 2.981 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccco1 ZINC000246917257 158105829 /nfs/dbraw/zinc/10/58/29/158105829.db2.gz GDBNEYIVUFOLKX-YYIAUSFCSA-N 1 3 307.482 2.981 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccco1 ZINC000246917257 158105830 /nfs/dbraw/zinc/10/58/30/158105830.db2.gz GDBNEYIVUFOLKX-YYIAUSFCSA-N 1 3 307.482 2.981 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C)c1ccco1 ZINC000246917257 158105831 /nfs/dbraw/zinc/10/58/31/158105831.db2.gz GDBNEYIVUFOLKX-YYIAUSFCSA-N 1 3 307.482 2.981 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ncccc3Cl)C2)[C@@H](C)C1 ZINC000246945488 158106400 /nfs/dbraw/zinc/10/64/00/158106400.db2.gz HDJSGZZQANSSOY-DZKIICNBSA-N 1 3 322.884 2.634 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ncccc3Cl)C2)[C@@H](C)C1 ZINC000246945488 158106404 /nfs/dbraw/zinc/10/64/04/158106404.db2.gz HDJSGZZQANSSOY-DZKIICNBSA-N 1 3 322.884 2.634 20 0 DFADHO C[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000247381107 158133057 /nfs/dbraw/zinc/13/30/57/158133057.db2.gz UHRBKIQXRTXHQJ-BZUAXINKSA-N 1 3 321.509 2.771 20 0 DFADHO C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248395301 158172058 /nfs/dbraw/zinc/17/20/58/158172058.db2.gz GGAVIIJAEMBEMR-WZGPROSRSA-N 1 3 302.462 2.505 20 0 DFADHO c1cnn(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000248396487 158172317 /nfs/dbraw/zinc/17/23/17/158172317.db2.gz HCZLPAZYDSNBDM-XUVXKRRUSA-N 1 3 324.472 2.773 20 0 DFADHO c1cnn(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248396487 158172320 /nfs/dbraw/zinc/17/23/20/158172320.db2.gz HCZLPAZYDSNBDM-XUVXKRRUSA-N 1 3 324.472 2.773 20 0 DFADHO c1cnn(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248396487 158172321 /nfs/dbraw/zinc/17/23/21/158172321.db2.gz HCZLPAZYDSNBDM-XUVXKRRUSA-N 1 3 324.472 2.773 20 0 DFADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248829424 158203084 /nfs/dbraw/zinc/20/30/84/158203084.db2.gz KYBJVUJHGOXVDX-BSWVEEBUSA-N 1 3 302.462 2.910 20 0 DFADHO CCCN(CCN1CCCCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000356641591 158304579 /nfs/dbraw/zinc/30/45/79/158304579.db2.gz ITAXFRNFZWZFER-ZWKOTPCHSA-N 1 3 323.525 2.831 20 0 DFADHO CCCN(CCN1CCCCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000356641591 158304582 /nfs/dbraw/zinc/30/45/82/158304582.db2.gz ITAXFRNFZWZFER-ZWKOTPCHSA-N 1 3 323.525 2.831 20 0 DFADHO COC(=O)CC1(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000440498649 297154561 /nfs/dbraw/zinc/15/45/61/297154561.db2.gz ZHTJPVQDXSVZLW-GJZGRUSLSA-N 1 3 308.466 2.572 20 0 DFADHO COC(=O)CC1(C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000440498649 297154562 /nfs/dbraw/zinc/15/45/62/297154562.db2.gz ZHTJPVQDXSVZLW-GJZGRUSLSA-N 1 3 308.466 2.572 20 0 DFADHO CCOc1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000357042697 158354562 /nfs/dbraw/zinc/35/45/62/158354562.db2.gz FVDSZOLKOHTDGQ-KRWDZBQOSA-N 1 3 318.461 2.915 20 0 DFADHO Cn1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c(-c2ccccc2)n1 ZINC000357061204 158359488 /nfs/dbraw/zinc/35/94/88/158359488.db2.gz ZRNVBWRKXGQFPQ-GOSISDBHSA-N 1 3 324.472 2.909 20 0 DFADHO CC(C)N(CCOCC[NH3+])Cc1cccc(Br)c1 ZINC000357076461 158360650 /nfs/dbraw/zinc/36/06/50/158360650.db2.gz OUHVOBIACGDCKT-UHFFFAOYSA-N 1 3 315.255 2.635 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000358297850 158369768 /nfs/dbraw/zinc/36/97/68/158369768.db2.gz KKWXCGJQRZBYGO-BFYDXBDKSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000358297852 158370089 /nfs/dbraw/zinc/37/00/89/158370089.db2.gz KKWXCGJQRZBYGO-HLLBOEOZSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@H](CCN(C)C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000358670745 158397485 /nfs/dbraw/zinc/39/74/85/158397485.db2.gz WVOGERNTSWJGKM-LMMKCTJWSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000293824175 287034852 /nfs/dbraw/zinc/03/48/52/287034852.db2.gz WFXFLTZEVQNURH-UONOGXRCSA-N 1 3 318.465 2.819 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)N(C)C ZINC000130947036 196125471 /nfs/dbraw/zinc/12/54/71/196125471.db2.gz SZARULFSLMMPBY-SFHVURJKSA-N 1 3 323.525 2.687 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)N(C)C ZINC000130947036 196125472 /nfs/dbraw/zinc/12/54/72/196125472.db2.gz SZARULFSLMMPBY-SFHVURJKSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(F)c1 ZINC000133091187 196311144 /nfs/dbraw/zinc/31/11/44/196311144.db2.gz FEHNJTWVTSABNZ-HUUCEWRRSA-N 1 3 306.425 2.977 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@H]1CCN(C)C[C@@H]1C)c1ccccc1 ZINC000134021718 196354045 /nfs/dbraw/zinc/35/40/45/196354045.db2.gz ZSASUATUWNNQSX-YTQUADARSA-N 1 3 303.494 2.999 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+]CC2(SC)CC2)CC1 ZINC000433182992 296899295 /nfs/dbraw/zinc/89/92/95/296899295.db2.gz PWCBBPKIRMTPKZ-UHFFFAOYSA-N 1 3 319.518 2.814 20 0 DFADHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667889019 543698027 /nfs/dbraw/zinc/69/80/27/543698027.db2.gz NKQRMZDWYANYCY-XPGWFJOJSA-N 1 3 314.473 2.922 20 0 DFADHO c1cc(CN2CC[C@H](c3cccnc3)C2)n(-c2ccncc2)n1 ZINC000668273143 543781563 /nfs/dbraw/zinc/78/15/63/543781563.db2.gz VAVWVAPGPPJPOO-INIZCTEOSA-N 1 3 305.385 2.652 20 0 DFADHO CC(C)[C@@H](CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668738465 543857388 /nfs/dbraw/zinc/85/73/88/543857388.db2.gz DHUJVBNKFCQVNE-VQTJNVASSA-N 1 3 316.489 2.957 20 0 DFADHO CC(C)[C@@H](CN1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668738465 543857389 /nfs/dbraw/zinc/85/73/89/543857389.db2.gz DHUJVBNKFCQVNE-VQTJNVASSA-N 1 3 316.489 2.957 20 0 DFADHO Fc1ccc2c(c1)C[C@@H]1[C@H](NC3CC[NH+](CC4CC4)CC3)[C@H]21 ZINC000668744430 543859890 /nfs/dbraw/zinc/85/98/90/543859890.db2.gz NCFXILYOVZJMJR-OTWHNJEPSA-N 1 3 300.421 2.928 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(C[C@H](C)[NH3+])[C@@H]2CCCC[C@H]12 ZINC000442664203 297199643 /nfs/dbraw/zinc/19/96/43/297199643.db2.gz LSTWOYKMMMBGOR-OVYBAWALSA-N 1 3 309.498 2.518 20 0 DFADHO COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000671109051 544056155 /nfs/dbraw/zinc/05/61/55/544056155.db2.gz UWXNYZZAGJTGEY-WMZOPIPTSA-N 1 3 304.478 2.954 20 0 DFADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672619020 544143865 /nfs/dbraw/zinc/14/38/65/544143865.db2.gz HYJFQXGLFMEZMG-UAGQMJEPSA-N 1 3 308.853 2.632 20 0 DFADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672619020 544143866 /nfs/dbraw/zinc/14/38/66/544143866.db2.gz HYJFQXGLFMEZMG-UAGQMJEPSA-N 1 3 308.853 2.632 20 0 DFADHO CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000672987681 544163457 /nfs/dbraw/zinc/16/34/57/544163457.db2.gz GZUIGWWYIRJQPV-SQNIBIBYSA-N 1 3 321.509 2.726 20 0 DFADHO CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000672987681 544163459 /nfs/dbraw/zinc/16/34/59/544163459.db2.gz GZUIGWWYIRJQPV-SQNIBIBYSA-N 1 3 321.509 2.726 20 0 DFADHO C[C@H](Cc1ccncc1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000674089714 544219328 /nfs/dbraw/zinc/21/93/28/544219328.db2.gz ZRDSMDMLXSCUIL-MRXNPFEDSA-N 1 3 313.445 2.743 20 0 DFADHO CC[C@@H](CN1CCCC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674094528 544219963 /nfs/dbraw/zinc/21/99/63/544219963.db2.gz OXMCEDLOPLXDJU-IRXDYDNUSA-N 1 3 321.509 2.632 20 0 DFADHO CC[C@@H](CN1CCCC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674094528 544219965 /nfs/dbraw/zinc/21/99/65/544219965.db2.gz OXMCEDLOPLXDJU-IRXDYDNUSA-N 1 3 321.509 2.632 20 0 DFADHO c1n[nH]cc1CC[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000297566246 227311426 /nfs/dbraw/zinc/31/14/26/227311426.db2.gz CMYSXGOYHFODBJ-PMACEKPBSA-N 1 3 324.472 2.939 20 0 DFADHO c1n[nH]cc1CC[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000297566246 227311428 /nfs/dbraw/zinc/31/14/28/227311428.db2.gz CMYSXGOYHFODBJ-PMACEKPBSA-N 1 3 324.472 2.939 20 0 DFADHO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000681389769 545636236 /nfs/dbraw/zinc/63/62/36/545636236.db2.gz UGVKAHYCDZKOOZ-UONOGXRCSA-N 1 3 321.431 2.866 20 0 DFADHO Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000675869805 544340951 /nfs/dbraw/zinc/34/09/51/544340951.db2.gz AVFJSEVTWAPKJA-OXQOHEQNSA-N 1 3 313.489 2.740 20 0 DFADHO CC[C@@H](N[C@H](C)C1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000675804514 544337763 /nfs/dbraw/zinc/33/77/63/544337763.db2.gz BGGZFODUGYIPIB-GDBMZVCRSA-N 1 3 319.497 2.776 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H](Cc2nccn2C)c2ccccc2)CC[N@@H+]1C ZINC000675920410 544344203 /nfs/dbraw/zinc/34/42/03/544344203.db2.gz KHGDRDNNNFCQQN-NJAFHUGGSA-N 1 3 312.461 2.776 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H](Cc2nccn2C)c2ccccc2)CC[N@H+]1C ZINC000675920410 544344204 /nfs/dbraw/zinc/34/42/04/544344204.db2.gz KHGDRDNNNFCQQN-NJAFHUGGSA-N 1 3 312.461 2.776 20 0 DFADHO COc1ccc(C2([NH2+]CC[C@@H]3CCCN3C)CCOCC2)cc1 ZINC000678078742 544595815 /nfs/dbraw/zinc/59/58/15/544595815.db2.gz ATYWBCJEODVESI-KRWDZBQOSA-N 1 3 318.461 2.775 20 0 DFADHO CN1CCC[C@H](N2CC[NH+](C[C@H]3CCCC(C)(C)C3)CC2)C1 ZINC000678259012 544634662 /nfs/dbraw/zinc/63/46/62/544634662.db2.gz VRCNWWVKPMDVIC-ROUUACIJSA-N 1 3 307.526 2.915 20 0 DFADHO CCC[N@H+](Cc1ccc(OCCN(C)C)cc1)CC(C)(C)O ZINC000678238613 544627953 /nfs/dbraw/zinc/62/79/53/544627953.db2.gz AZMYTWOGLLEMTF-UHFFFAOYSA-N 1 3 308.466 2.610 20 0 DFADHO CCC[N@@H+](Cc1ccc(OCCN(C)C)cc1)CC(C)(C)O ZINC000678238613 544627956 /nfs/dbraw/zinc/62/79/56/544627956.db2.gz AZMYTWOGLLEMTF-UHFFFAOYSA-N 1 3 308.466 2.610 20 0 DFADHO CN(C)CCOC1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000678260747 544636729 /nfs/dbraw/zinc/63/67/29/544636729.db2.gz INGHERACAWPHJC-MRXNPFEDSA-N 1 3 318.461 2.595 20 0 DFADHO c1ccc2c(c1)OCC[C@@H]2CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678277060 544641573 /nfs/dbraw/zinc/64/15/73/544641573.db2.gz PVBHLNMVGMQROD-DLBZAZTESA-N 1 3 300.446 2.970 20 0 DFADHO c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000678277060 544641578 /nfs/dbraw/zinc/64/15/78/544641578.db2.gz PVBHLNMVGMQROD-DLBZAZTESA-N 1 3 300.446 2.970 20 0 DFADHO c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000678277060 544641583 /nfs/dbraw/zinc/64/15/83/544641583.db2.gz PVBHLNMVGMQROD-DLBZAZTESA-N 1 3 300.446 2.970 20 0 DFADHO CCc1nc2ccccc2n1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000679024734 544769729 /nfs/dbraw/zinc/76/97/29/544769729.db2.gz JHBRDHSETVJWNO-HOTGVXAUSA-N 1 3 312.461 2.815 20 0 DFADHO CCc1nc2ccccc2n1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000679024734 544769733 /nfs/dbraw/zinc/76/97/33/544769733.db2.gz JHBRDHSETVJWNO-HOTGVXAUSA-N 1 3 312.461 2.815 20 0 DFADHO Cc1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OCCN(C)C)c1 ZINC000679148943 544792361 /nfs/dbraw/zinc/79/23/61/544792361.db2.gz WGFGIRUZRNKDSP-JKSUJKDBSA-N 1 3 305.466 2.830 20 0 DFADHO Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OCCN(C)C)c1 ZINC000679148943 544792364 /nfs/dbraw/zinc/79/23/64/544792364.db2.gz WGFGIRUZRNKDSP-JKSUJKDBSA-N 1 3 305.466 2.830 20 0 DFADHO COC1(C)CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000679423597 544851615 /nfs/dbraw/zinc/85/16/15/544851615.db2.gz XKYCINIHKBIECX-UHFFFAOYSA-N 1 3 306.450 2.628 20 0 DFADHO CC(C)(O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000679721597 544905670 /nfs/dbraw/zinc/90/56/70/544905670.db2.gz PFUUYVPDIUGFAX-FGTMMUONSA-N 1 3 302.462 2.648 20 0 DFADHO CN(C)Cc1cccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000155588861 425921403 /nfs/dbraw/zinc/92/14/03/425921403.db2.gz AEGWJRWJKXSRLM-UHFFFAOYSA-N 1 3 317.477 2.787 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000155609209 425922492 /nfs/dbraw/zinc/92/24/92/425922492.db2.gz FDCYVPQANKLEAT-KGLIPLIRSA-N 1 3 311.420 2.641 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000155638768 425923367 /nfs/dbraw/zinc/92/33/67/425923367.db2.gz SPVUDEIHAQMUCA-DLBZAZTESA-N 1 3 319.493 2.680 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000155684354 425923721 /nfs/dbraw/zinc/92/37/21/425923721.db2.gz XDNUUMUOTLRGAN-WMZOPIPTSA-N 1 3 317.477 2.516 20 0 DFADHO COc1ccc(Br)cc1CNCCCC[NH+](C)C ZINC000045598376 425861562 /nfs/dbraw/zinc/86/15/62/425861562.db2.gz LRTJOHTVPQJJQZ-UHFFFAOYSA-N 1 3 315.255 2.889 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000192925656 268054261 /nfs/dbraw/zinc/05/42/61/268054261.db2.gz FJFVSPBBKFQPAE-OAHLLOKOSA-N 1 3 304.434 2.984 20 0 DFADHO COC(=O)[C@H]1CC[C@@H](NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000193874507 268082577 /nfs/dbraw/zinc/08/25/77/268082577.db2.gz GAXCPGAVMSZHPN-CYGHRXIMSA-N 1 3 322.493 2.961 20 0 DFADHO COC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000193874507 268082579 /nfs/dbraw/zinc/08/25/79/268082579.db2.gz GAXCPGAVMSZHPN-CYGHRXIMSA-N 1 3 322.493 2.961 20 0 DFADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000237039624 268153794 /nfs/dbraw/zinc/15/37/94/268153794.db2.gz FKFUHUTYGVAARQ-ROUUACIJSA-N 1 3 317.477 2.662 20 0 DFADHO COc1ccc(Br)cc1CNCC[C@@H]1CC[NH2+]C1 ZINC000259042509 268168921 /nfs/dbraw/zinc/16/89/21/268168921.db2.gz PTSOATARUPXZPE-NSHDSACASA-N 1 3 313.239 2.547 20 0 DFADHO C[C@H](CC(N)=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000267258825 268180517 /nfs/dbraw/zinc/18/05/17/268180517.db2.gz PUBRSUCDUCTRME-BZUAXINKSA-N 1 3 317.477 2.518 20 0 DFADHO C[C@H]1CN(C2CC2)CC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000298083742 268312907 /nfs/dbraw/zinc/31/29/07/268312907.db2.gz MEIYIVKJVPAAQU-FXAWDEMLSA-N 1 3 313.489 2.677 20 0 DFADHO C[C@H]1CN(C2CC2)CC[N@H+]([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000298083742 268312908 /nfs/dbraw/zinc/31/29/08/268312908.db2.gz MEIYIVKJVPAAQU-FXAWDEMLSA-N 1 3 313.489 2.677 20 0 DFADHO c1ccc(CCN2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000124782418 425937929 /nfs/dbraw/zinc/93/79/29/425937929.db2.gz ORZYSWOWOWKFFB-UHFFFAOYSA-N 1 3 315.505 2.723 20 0 DFADHO C[C@H](N[C@H]1COCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312993089 268337749 /nfs/dbraw/zinc/33/77/49/268337749.db2.gz YVFDSTWNYWZPFJ-SZMVWBNQSA-N 1 3 302.462 2.912 20 0 DFADHO C[C@H](N[C@H]1COCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312993089 268337750 /nfs/dbraw/zinc/33/77/50/268337750.db2.gz YVFDSTWNYWZPFJ-SZMVWBNQSA-N 1 3 302.462 2.912 20 0 DFADHO c1cc(N2CCC([NH2+]CCOCC3CCCC3)CC2)ccn1 ZINC000313262198 268339483 /nfs/dbraw/zinc/33/94/83/268339483.db2.gz BBQQDXXGDVVHJA-UHFFFAOYSA-N 1 3 303.450 2.847 20 0 DFADHO c1sc(-c2ccccn2)nc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320040426 268347300 /nfs/dbraw/zinc/34/73/00/268347300.db2.gz IFBZYYGJYVQLMI-OKILXGFUSA-N 1 3 314.458 2.637 20 0 DFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)o1 ZINC000322593439 268349527 /nfs/dbraw/zinc/34/95/27/268349527.db2.gz KLABUXJRMBNGEZ-GOOCMWNKSA-N 1 3 300.406 2.693 20 0 DFADHO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CCN1CC[NH2+]CC1 ZINC000071148910 425983449 /nfs/dbraw/zinc/98/34/49/425983449.db2.gz OEZLEVRGEIUAGX-LBPRGKRZSA-N 1 3 316.276 2.891 20 0 DFADHO CCN(CC)C(=O)C1([NH2+]CC[C@H]2CCCN2C)CCCCC1 ZINC000125214866 425959182 /nfs/dbraw/zinc/95/91/82/425959182.db2.gz VVWPUXLMBZOACC-MRXNPFEDSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000070174488 425969227 /nfs/dbraw/zinc/96/92/27/425969227.db2.gz YRIHCGOCFSUHCK-OLZOCXBDSA-N 1 3 309.841 2.728 20 0 DFADHO c1ccc(CN2CCC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000161597173 426030870 /nfs/dbraw/zinc/03/08/70/426030870.db2.gz GUKZXMNAOKSLIG-HSALFYBXSA-N 1 3 313.489 2.867 20 0 DFADHO c1ccc(CN2CCC[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000161597173 426030873 /nfs/dbraw/zinc/03/08/73/426030873.db2.gz GUKZXMNAOKSLIG-HSALFYBXSA-N 1 3 313.489 2.867 20 0 DFADHO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126655168 426031399 /nfs/dbraw/zinc/03/13/99/426031399.db2.gz FVRGPQHLKHCLSC-IRXDYDNUSA-N 1 3 303.494 2.958 20 0 DFADHO C[C@@H]([NH2+]CCCn1cccn1)c1ccc(OCCN(C)C)cc1 ZINC000126977843 426045334 /nfs/dbraw/zinc/04/53/34/426045334.db2.gz RUMZFWRIPNAHMV-MRXNPFEDSA-N 1 3 316.449 2.564 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCCOC)cc2)C1 ZINC000163241530 426093091 /nfs/dbraw/zinc/09/30/91/426093091.db2.gz NTSFWCVSBZYTRF-HOTGVXAUSA-N 1 3 306.450 2.704 20 0 DFADHO CC[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C)cc1 ZINC000127971073 426095710 /nfs/dbraw/zinc/09/57/10/426095710.db2.gz VIYSMWFFIOBIBP-ZWKOTPCHSA-N 1 3 317.477 2.623 20 0 DFADHO CC[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C)cc1 ZINC000127971073 426095712 /nfs/dbraw/zinc/09/57/12/426095712.db2.gz VIYSMWFFIOBIBP-ZWKOTPCHSA-N 1 3 317.477 2.623 20 0 DFADHO Cc1cc(C)cc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)c1 ZINC000128237035 426107495 /nfs/dbraw/zinc/10/74/95/426107495.db2.gz TZIPEARWXZIEHI-GOSISDBHSA-N 1 3 303.494 2.982 20 0 DFADHO Cc1ccc(CC[C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128241163 426109211 /nfs/dbraw/zinc/10/92/11/426109211.db2.gz AUWDJYZNUBUHPE-IBGZPJMESA-N 1 3 317.521 2.933 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCOC1 ZINC000165298800 426121845 /nfs/dbraw/zinc/12/18/45/426121845.db2.gz NADBBPJWJOTMEA-YTQUADARSA-N 1 3 302.462 2.566 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)CN1CCCC1 ZINC000165334479 426122348 /nfs/dbraw/zinc/12/23/48/426122348.db2.gz AAMNFSJJSVUFTK-HOTGVXAUSA-N 1 3 313.449 2.650 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cc(F)ccc1F ZINC000165944763 426125091 /nfs/dbraw/zinc/12/50/91/426125091.db2.gz UFGYQDRLLTUIRG-OCCSQVGLSA-N 1 3 300.393 2.972 20 0 DFADHO C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc(OCCN(C)C)c1 ZINC000167045090 426130852 /nfs/dbraw/zinc/13/08/52/426130852.db2.gz DLXBMUOTCOJBCE-MAUKXSAKSA-N 1 3 306.450 2.847 20 0 DFADHO CC(C)[NH2+]CCC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000167792214 426133228 /nfs/dbraw/zinc/13/32/28/426133228.db2.gz YWZIGVIZZVASDK-MRXNPFEDSA-N 1 3 317.477 2.716 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN(C)C2CCCCCC2)CC1 ZINC000114454128 426136619 /nfs/dbraw/zinc/13/66/19/426136619.db2.gz CXZDXCLQDLQQHM-UHFFFAOYSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H](C[NH2+]CCCCN1CCN(C)CC1)c1ccc(F)cc1 ZINC000127589741 426074928 /nfs/dbraw/zinc/07/49/28/426074928.db2.gz NEYZWQLBMURRAX-MRXNPFEDSA-N 1 3 307.457 2.546 20 0 DFADHO CCOC(=O)CCCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075835537 426086135 /nfs/dbraw/zinc/08/61/35/426086135.db2.gz BKZXZOHWWANQGB-QGZVFWFLSA-N 1 3 310.482 2.918 20 0 DFADHO CCOC(=O)CCCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075835537 426086138 /nfs/dbraw/zinc/08/61/38/426086138.db2.gz BKZXZOHWWANQGB-QGZVFWFLSA-N 1 3 310.482 2.918 20 0 DFADHO CCOC(=O)CCCCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835537 426086140 /nfs/dbraw/zinc/08/61/40/426086140.db2.gz BKZXZOHWWANQGB-QGZVFWFLSA-N 1 3 310.482 2.918 20 0 DFADHO CSCC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000171631369 426201406 /nfs/dbraw/zinc/20/14/06/426201406.db2.gz XOBDAZDJSDPMLE-GOSISDBHSA-N 1 3 322.518 2.727 20 0 DFADHO CSCC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000171631369 426201410 /nfs/dbraw/zinc/20/14/10/426201410.db2.gz XOBDAZDJSDPMLE-GOSISDBHSA-N 1 3 322.518 2.727 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C[C@@H]2C)CCN1Cc1ccccc1 ZINC000129609417 426139630 /nfs/dbraw/zinc/13/96/30/426139630.db2.gz LKWZEJBIGSLATK-KVPLUYHFSA-N 1 3 315.505 2.969 20 0 DFADHO Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000132748913 426171786 /nfs/dbraw/zinc/17/17/86/426171786.db2.gz IODRNEYIJUGZIM-IFXJQAMLSA-N 1 3 318.436 2.904 20 0 DFADHO C[C@H]([NH2+]CCc1cccnc1)c1ccc(OCCN(C)C)cc1 ZINC000133452498 426178548 /nfs/dbraw/zinc/17/85/48/426178548.db2.gz YLXHIHUCDZCYIW-INIZCTEOSA-N 1 3 313.445 2.915 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000151042259 426274161 /nfs/dbraw/zinc/27/41/61/426274161.db2.gz AFPGZNNXZCTOLM-VYDXJSESSA-N 1 3 302.466 2.500 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](CCCOCCc2ccccc2)C1 ZINC000173884973 426250135 /nfs/dbraw/zinc/25/01/35/426250135.db2.gz IBABWYOGDYRFCO-LJQANCHMSA-N 1 3 304.478 2.909 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000173884973 426250138 /nfs/dbraw/zinc/25/01/38/426250138.db2.gz IBABWYOGDYRFCO-LJQANCHMSA-N 1 3 304.478 2.909 20 0 DFADHO Cc1ccc([C@@H](CN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000118965585 426252449 /nfs/dbraw/zinc/25/24/49/426252449.db2.gz YRAGCCDGMCXHQU-PBWTXFEYSA-N 1 3 303.494 2.916 20 0 DFADHO Cc1ccc([C@@H](CN[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000118965585 426252451 /nfs/dbraw/zinc/25/24/51/426252451.db2.gz YRAGCCDGMCXHQU-PBWTXFEYSA-N 1 3 303.494 2.916 20 0 DFADHO Cc1ccc([C@@H](C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)N(C)C)cc1 ZINC000118965585 426252453 /nfs/dbraw/zinc/25/24/53/426252453.db2.gz YRAGCCDGMCXHQU-PBWTXFEYSA-N 1 3 303.494 2.916 20 0 DFADHO COCc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000174315728 426253984 /nfs/dbraw/zinc/25/39/84/426253984.db2.gz AXJOONMCWKPEKM-CALCHBBNSA-N 1 3 320.477 2.812 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccccc1OC ZINC000150994666 426271040 /nfs/dbraw/zinc/27/10/40/426271040.db2.gz PZUKCUPXVVCAAW-GOSISDBHSA-N 1 3 319.493 2.762 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000150991540 426271298 /nfs/dbraw/zinc/27/12/98/426271298.db2.gz NBAPRYLIWPXMNU-IBGZPJMESA-N 1 3 301.478 2.680 20 0 DFADHO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000151004959 426272513 /nfs/dbraw/zinc/27/25/13/426272513.db2.gz FLSVHGNAZRDDGG-LIRRHRJNSA-N 1 3 319.468 2.675 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000089427793 426289997 /nfs/dbraw/zinc/28/99/97/426289997.db2.gz NNBLYIIAISSFLI-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO CC(C)(C)CCN1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000119546520 426295465 /nfs/dbraw/zinc/29/54/65/426295465.db2.gz KUUCWDZOJMDYMQ-KRWDZBQOSA-N 1 3 317.477 2.657 20 0 DFADHO CN1CCC[C@@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000121206920 426324936 /nfs/dbraw/zinc/32/49/36/426324936.db2.gz APPYQIAGPPNYQY-IBGZPJMESA-N 1 3 315.505 2.625 20 0 DFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccccc2OC)CC1 ZINC000121213658 426325681 /nfs/dbraw/zinc/32/56/81/426325681.db2.gz YJBAUZDIIFDWEP-IRXDYDNUSA-N 1 3 319.493 2.619 20 0 DFADHO COC[C@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C1CC1 ZINC000090717385 426331475 /nfs/dbraw/zinc/33/14/75/426331475.db2.gz MEMXKUMRWSVJPH-KSSFIOAISA-N 1 3 306.450 2.703 20 0 DFADHO C[C@@H]([NH2+]CCCn1ccnc1)c1cccc(OCCN(C)C)c1 ZINC000151123450 426279799 /nfs/dbraw/zinc/27/97/99/426279799.db2.gz HLYBJUJZCJTPRD-MRXNPFEDSA-N 1 3 316.449 2.564 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@H](C)C1 ZINC000089129693 426280363 /nfs/dbraw/zinc/28/03/63/426280363.db2.gz SAIJACLOQKRIPG-CXAGYDPISA-N 1 3 322.424 2.774 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@H](C)C1 ZINC000089129693 426280365 /nfs/dbraw/zinc/28/03/65/426280365.db2.gz SAIJACLOQKRIPG-CXAGYDPISA-N 1 3 322.424 2.774 20 0 DFADHO CC(C)CNC(=O)[C@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121805346 426354019 /nfs/dbraw/zinc/35/40/19/426354019.db2.gz FEQXHQXOWDZIEA-KRWDZBQOSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@H](N[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccc(NC(N)=O)cc1 ZINC000123049620 426411581 /nfs/dbraw/zinc/41/15/81/426411581.db2.gz KTWNSCDYSKBKOB-LMOYCYGVSA-N 1 3 304.438 2.557 20 0 DFADHO C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccc(NC(N)=O)cc1 ZINC000123049620 426411583 /nfs/dbraw/zinc/41/15/83/426411583.db2.gz KTWNSCDYSKBKOB-LMOYCYGVSA-N 1 3 304.438 2.557 20 0 DFADHO CN(C)C1(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)CCC1 ZINC000340361087 268971378 /nfs/dbraw/zinc/97/13/78/268971378.db2.gz ZSMKGUFYQJCMIJ-QZTJIDSGSA-N 1 3 301.478 2.896 20 0 DFADHO C[C@H](NC1CC[NH+](CCc2ccncc2)CC1)c1ccncc1 ZINC000154142242 426427045 /nfs/dbraw/zinc/42/70/45/426427045.db2.gz IWKHWULTCUMXTI-INIZCTEOSA-N 1 3 310.445 2.834 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3c2cccc3C)CC1 ZINC000154234121 426431790 /nfs/dbraw/zinc/43/17/90/426431790.db2.gz PDYARJFLWOWHFK-LJQANCHMSA-N 1 3 301.478 2.600 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000154265904 426434034 /nfs/dbraw/zinc/43/40/34/426434034.db2.gz QZWUQYUPSYPQBZ-KRWDZBQOSA-N 1 3 319.493 2.682 20 0 DFADHO CC[C@@H]1CCCCN1C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123533759 426439697 /nfs/dbraw/zinc/43/96/97/426439697.db2.gz TWSNSLZIPODXBP-GOSISDBHSA-N 1 3 323.525 2.831 20 0 DFADHO CCCC[C@@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000154559352 426446007 /nfs/dbraw/zinc/44/60/07/426446007.db2.gz WDFJOKQCQRVAPO-IAGOWNOFSA-N 1 3 309.498 2.619 20 0 DFADHO Cc1ccc2nc(CNC3CCC(C[NH+](C)C)CC3)cn2c1 ZINC000341294034 269062271 /nfs/dbraw/zinc/06/22/71/269062271.db2.gz XDVRGNRJHJIHIX-UHFFFAOYSA-N 1 3 300.450 2.853 20 0 DFADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000177229514 426456431 /nfs/dbraw/zinc/45/64/31/426456431.db2.gz GAGZILGEYVEMHI-KRWDZBQOSA-N 1 3 301.478 2.977 20 0 DFADHO CC(C)[NH+]1CCC(N[C@@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000124133048 426471651 /nfs/dbraw/zinc/47/16/51/426471651.db2.gz VNWKTYFTHQFPCK-QGZVFWFLSA-N 1 3 315.461 2.534 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(COC)c2)C1 ZINC000124170872 426473288 /nfs/dbraw/zinc/47/32/88/426473288.db2.gz YEYCBOAIATVNRP-LSDHHAIUSA-N 1 3 306.450 2.834 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000124168255 426473678 /nfs/dbraw/zinc/47/36/78/426473678.db2.gz NTMWTVNGMUTSCV-UONOGXRCSA-N 1 3 322.449 2.705 20 0 DFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(Cl)cc1 ZINC000177383510 426474217 /nfs/dbraw/zinc/47/42/17/426474217.db2.gz TXKPYXDNRRQCNU-UHFFFAOYSA-N 1 3 309.885 2.798 20 0 DFADHO CCC[NH+]1CCC(CNC(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000101516455 426484205 /nfs/dbraw/zinc/48/42/05/426484205.db2.gz CYLJKVRGNWMNAC-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO C[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000101658283 426486007 /nfs/dbraw/zinc/48/60/07/426486007.db2.gz BPZZEQAHCIYSDO-XHSDSOJGSA-N 1 3 309.498 2.628 20 0 DFADHO C[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000101658283 426486008 /nfs/dbraw/zinc/48/60/08/426486008.db2.gz BPZZEQAHCIYSDO-XHSDSOJGSA-N 1 3 309.498 2.628 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(CN(C)C)c2)[C@H]1C ZINC000280161716 426508425 /nfs/dbraw/zinc/50/84/25/426508425.db2.gz FQRBARLHPNCABI-WBAXXEDZSA-N 1 3 318.461 2.816 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272395607 426516134 /nfs/dbraw/zinc/51/61/34/426516134.db2.gz DGPPHVKTBMFAJU-QUCCMNQESA-N 1 3 315.505 2.973 20 0 DFADHO c1ccc(CN2C[C@@H]3C[N@H+](CCc4ccccn4)C[C@@H]3C2)cc1 ZINC000280260475 426533018 /nfs/dbraw/zinc/53/30/18/426533018.db2.gz CIHFIGJWAPBQFZ-KDURUIRLSA-N 1 3 307.441 2.688 20 0 DFADHO c1ccc(CN2C[C@@H]3C[N@@H+](CCc4ccccn4)C[C@@H]3C2)cc1 ZINC000280260475 426533022 /nfs/dbraw/zinc/53/30/22/426533022.db2.gz CIHFIGJWAPBQFZ-KDURUIRLSA-N 1 3 307.441 2.688 20 0 DFADHO Cc1cnn(CCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272469879 426534584 /nfs/dbraw/zinc/53/45/84/426534584.db2.gz LEFKWKRFIOTKDN-HKUYNNGSSA-N 1 3 312.461 2.692 20 0 DFADHO Cc1cnn(CCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272469879 426534588 /nfs/dbraw/zinc/53/45/88/426534588.db2.gz LEFKWKRFIOTKDN-HKUYNNGSSA-N 1 3 312.461 2.692 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CCN1C ZINC000177968750 426547631 /nfs/dbraw/zinc/54/76/31/426547631.db2.gz UUUNHBTVGJRMKJ-XLIONFOSSA-N 1 3 315.505 2.766 20 0 DFADHO CN(C)Cc1ccc(C(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000186200414 426493683 /nfs/dbraw/zinc/49/36/83/426493683.db2.gz CMLRWUGAQYIYHW-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000178256140 426594812 /nfs/dbraw/zinc/59/48/12/426594812.db2.gz NJZAHRNGLFGICT-RCDICMHDSA-N 1 3 320.502 2.949 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)CCN1C ZINC000186878310 426603341 /nfs/dbraw/zinc/60/33/41/426603341.db2.gz WXGHQJMIFOEYKC-AHRSYUTCSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@@H](NCCOCC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562914 426558236 /nfs/dbraw/zinc/55/82/36/426558236.db2.gz UOUSNFBQMNJWLE-VQIMIIECSA-N 1 3 302.462 2.913 20 0 DFADHO C[C@@H](NCCOCC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562914 426558240 /nfs/dbraw/zinc/55/82/40/426558240.db2.gz UOUSNFBQMNJWLE-VQIMIIECSA-N 1 3 302.462 2.913 20 0 DFADHO C[C@H](C[NH+]1CCC(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000289397954 426646866 /nfs/dbraw/zinc/64/68/66/426646866.db2.gz GBQRGWVNIXOCBA-GOSISDBHSA-N 1 3 315.505 2.750 20 0 DFADHO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(OCCN(C)C)cc1 ZINC000187309086 426647795 /nfs/dbraw/zinc/64/77/95/426647795.db2.gz CJMHACVAQXSVFY-JEDBISTDSA-N 1 3 318.461 2.845 20 0 DFADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000280784949 426654232 /nfs/dbraw/zinc/65/42/32/426654232.db2.gz FZSBITXEQFNGGH-KBPBESRZSA-N 1 3 310.869 2.878 20 0 DFADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289486887 426669328 /nfs/dbraw/zinc/66/93/28/426669328.db2.gz YOHSEAMOXSNWAF-ZTFGCOKTSA-N 1 3 323.431 2.784 20 0 DFADHO CC[C@@H](COC)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000178699156 426679098 /nfs/dbraw/zinc/67/90/98/426679098.db2.gz VVANBWDPGCNSSE-SFHVURJKSA-N 1 3 319.493 2.603 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)c2ccccc21 ZINC000289301315 426623125 /nfs/dbraw/zinc/62/31/25/426623125.db2.gz SEDZQZFCDHXOCE-HNAYVOBHSA-N 1 3 301.478 2.851 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1CCC1 ZINC000178414438 426623977 /nfs/dbraw/zinc/62/39/77/426623977.db2.gz LVXJBLRHOJQNKD-MRXNPFEDSA-N 1 3 301.478 2.712 20 0 DFADHO C[C@H](CNC[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000187708606 426686098 /nfs/dbraw/zinc/68/60/98/426686098.db2.gz JTDGSJBXZSKANX-PBHICJAKSA-N 1 3 310.869 2.880 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000290134149 426700009 /nfs/dbraw/zinc/70/00/09/426700009.db2.gz MAMFKOSCDSVLNW-RDJZCZTQSA-N 1 3 303.450 2.629 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2ccccc21 ZINC000290478845 426772770 /nfs/dbraw/zinc/77/27/70/426772770.db2.gz XHZOJTKNXGSNGP-CRAIPNDOSA-N 1 3 301.478 2.851 20 0 DFADHO C[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)N1[C@H](C)CC[C@H]1C ZINC000245973250 426789774 /nfs/dbraw/zinc/78/97/74/426789774.db2.gz WRAAFQLGGVWTBY-BRWVUGGUSA-N 1 3 323.525 2.828 20 0 DFADHO COC(=O)C1(C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000188676282 426777121 /nfs/dbraw/zinc/77/71/21/426777121.db2.gz GYKBEFPXLZPAKZ-ZBFHGGJFSA-N 1 3 308.466 2.572 20 0 DFADHO C[C@H](c1cccnc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266791720 426779293 /nfs/dbraw/zinc/77/92/93/426779293.db2.gz ZVWOJUVVYONODW-MRXNPFEDSA-N 1 3 303.450 2.719 20 0 DFADHO CC1CCC2(CC1)OC[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)O2 ZINC000245565498 426753922 /nfs/dbraw/zinc/75/39/22/426753922.db2.gz PPKNLAVFZBJNNY-KIJWCHNMSA-N 1 3 310.482 2.627 20 0 DFADHO CC1CCC2(CC1)OC[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)O2 ZINC000245565498 426753925 /nfs/dbraw/zinc/75/39/25/426753925.db2.gz PPKNLAVFZBJNNY-KIJWCHNMSA-N 1 3 310.482 2.627 20 0 DFADHO CC(C)N1CCC([NH2+][C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000290410810 426757975 /nfs/dbraw/zinc/75/79/75/426757975.db2.gz UFLDLXWHJSJNHL-QGZVFWFLSA-N 1 3 303.494 2.969 20 0 DFADHO CC(C)[NH+]1CCC(N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000290410810 426757979 /nfs/dbraw/zinc/75/79/79/426757979.db2.gz UFLDLXWHJSJNHL-QGZVFWFLSA-N 1 3 303.494 2.969 20 0 DFADHO COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc(OC)c1O ZINC000290423262 426763156 /nfs/dbraw/zinc/76/31/56/426763156.db2.gz RECFIAJONLKWQD-GOOCMWNKSA-N 1 3 320.433 2.514 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC000246302945 426818248 /nfs/dbraw/zinc/81/82/48/426818248.db2.gz ARRADPMDIJOXLM-ZWKOTPCHSA-N 1 3 323.525 2.735 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC000246302945 426818252 /nfs/dbraw/zinc/81/82/52/426818252.db2.gz ARRADPMDIJOXLM-ZWKOTPCHSA-N 1 3 323.525 2.735 20 0 DFADHO COC1(C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CCC1 ZINC000180196232 426845131 /nfs/dbraw/zinc/84/51/31/426845131.db2.gz YDATUJPKPPNEPA-HNNXBMFYSA-N 1 3 306.450 2.847 20 0 DFADHO Cc1ccn(-c2ccccc2CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000247259863 426919336 /nfs/dbraw/zinc/91/93/36/426919336.db2.gz ROIGBNSOMXBDKS-QGPMSJSTSA-N 1 3 312.461 2.999 20 0 DFADHO Cc1ccn(-c2ccccc2CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000247259863 426919342 /nfs/dbraw/zinc/91/93/42/426919342.db2.gz ROIGBNSOMXBDKS-QGPMSJSTSA-N 1 3 312.461 2.999 20 0 DFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@H](C)c1ccccc1 ZINC000282237968 426859608 /nfs/dbraw/zinc/85/96/08/426859608.db2.gz IYBCASZMQNVFGD-SJORKVTESA-N 1 3 303.494 2.794 20 0 DFADHO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc(OCCN(C)C)c1 ZINC000246838133 426870021 /nfs/dbraw/zinc/87/00/21/426870021.db2.gz BLLOVNKCNNAGKD-JFIYKMOQSA-N 1 3 320.477 2.829 20 0 DFADHO CSC[C@](C)(O)CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000305127747 426884992 /nfs/dbraw/zinc/88/49/92/426884992.db2.gz LUBMQLQFESLRQN-DJIMGWMZSA-N 1 3 314.539 2.733 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000316752929 426948846 /nfs/dbraw/zinc/94/88/46/426948846.db2.gz FENQYDLVHXCORH-IRXDYDNUSA-N 1 3 305.466 2.559 20 0 DFADHO COc1ccc2c(c1)C[C@H](N[C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000317064274 426954953 /nfs/dbraw/zinc/95/49/53/426954953.db2.gz YRSNSZRSAYXDAA-SQNIBIBYSA-N 1 3 300.446 2.769 20 0 DFADHO COc1ccc2c(c1)C[C@H](N[C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000317064274 426954957 /nfs/dbraw/zinc/95/49/57/426954957.db2.gz YRSNSZRSAYXDAA-SQNIBIBYSA-N 1 3 300.446 2.769 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCN3CCC[C@H]3C1)CC2 ZINC000317064274 426954964 /nfs/dbraw/zinc/95/49/64/426954964.db2.gz YRSNSZRSAYXDAA-SQNIBIBYSA-N 1 3 300.446 2.769 20 0 DFADHO C[C@@H]1C[C@H](N[C@H](CN2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000248043562 426974382 /nfs/dbraw/zinc/97/43/82/426974382.db2.gz UIOLLRAPUQZPBS-BHIYHBOVSA-N 1 3 301.478 2.896 20 0 DFADHO C[C@@H]1C[C@H](N[C@H](CN2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000248043562 426974389 /nfs/dbraw/zinc/97/43/89/426974389.db2.gz UIOLLRAPUQZPBS-BHIYHBOVSA-N 1 3 301.478 2.896 20 0 DFADHO Cc1cccc(N2CCN(CCCC3CC[NH2+]CC3)CC2)c1 ZINC000315015789 426935880 /nfs/dbraw/zinc/93/58/80/426935880.db2.gz HNZMPVANARMHEN-UHFFFAOYSA-N 1 3 301.478 2.897 20 0 DFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000291904894 427023627 /nfs/dbraw/zinc/02/36/27/427023627.db2.gz NFFHXNDXDTYBOH-MRXNPFEDSA-N 1 3 317.477 2.741 20 0 DFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000291904894 427023634 /nfs/dbraw/zinc/02/36/34/427023634.db2.gz NFFHXNDXDTYBOH-MRXNPFEDSA-N 1 3 317.477 2.741 20 0 DFADHO O[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000182414054 427073021 /nfs/dbraw/zinc/07/30/21/427073021.db2.gz LTJZAKCUCRPPCO-WOJBJXKFSA-N 1 3 316.489 2.788 20 0 DFADHO O[C@H](CCc1ccccc1)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000182414054 427073026 /nfs/dbraw/zinc/07/30/26/427073026.db2.gz LTJZAKCUCRPPCO-WOJBJXKFSA-N 1 3 316.489 2.788 20 0 DFADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCN2CCCC2)C3)cc1 ZINC000249056824 427082712 /nfs/dbraw/zinc/08/27/12/427082712.db2.gz YWRMREZSYOJVBW-OWZKRDHZSA-N 1 3 313.489 2.867 20 0 DFADHO CN1CCC(N2CCC([NH2+][C@@H]3CC[C@H]3C3CCC3)CC2)CC1 ZINC000338000997 427084246 /nfs/dbraw/zinc/08/42/46/427084246.db2.gz SROZVRXWEJFLMS-RBUKOAKNSA-N 1 3 305.510 2.713 20 0 DFADHO CC[NH+]1CCC(N[C@@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268697850 427093852 /nfs/dbraw/zinc/09/38/52/427093852.db2.gz AFEBDSYFXGSZNC-INIZCTEOSA-N 1 3 317.477 2.658 20 0 DFADHO Cc1ccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])c(CN(C)C)c1 ZINC000296157230 427094223 /nfs/dbraw/zinc/09/42/23/427094223.db2.gz WILHOGWOARLYSZ-GDBMZVCRSA-N 1 3 303.450 2.903 20 0 DFADHO C[C@H]1C[C@H]([NH2+]CC(C)(C)N(C)C)CCN1Cc1ccccc1 ZINC000268701099 427094406 /nfs/dbraw/zinc/09/44/06/427094406.db2.gz FPSVIKRINAQEDY-FUHWJXTLSA-N 1 3 303.494 2.969 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCCc2ccc(O)cc21 ZINC000283916463 427099418 /nfs/dbraw/zinc/09/94/18/427099418.db2.gz DODSDIPLUAQZNJ-SJLPKXTDSA-N 1 3 306.450 2.716 20 0 DFADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719827 427102142 /nfs/dbraw/zinc/10/21/42/427102142.db2.gz NYKITJOEFAYQHA-QRQLOZEOSA-N 1 3 301.478 2.581 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719827 427102146 /nfs/dbraw/zinc/10/21/46/427102146.db2.gz NYKITJOEFAYQHA-QRQLOZEOSA-N 1 3 301.478 2.581 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719827 427102149 /nfs/dbraw/zinc/10/21/49/427102149.db2.gz NYKITJOEFAYQHA-QRQLOZEOSA-N 1 3 301.478 2.581 20 0 DFADHO CCN1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719826 427102518 /nfs/dbraw/zinc/10/25/18/427102518.db2.gz NYKITJOEFAYQHA-NEWSRXKRSA-N 1 3 301.478 2.581 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719826 427102524 /nfs/dbraw/zinc/10/25/24/427102524.db2.gz NYKITJOEFAYQHA-NEWSRXKRSA-N 1 3 301.478 2.581 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719826 427102529 /nfs/dbraw/zinc/10/25/29/427102529.db2.gz NYKITJOEFAYQHA-NEWSRXKRSA-N 1 3 301.478 2.581 20 0 DFADHO CCN(CC)CCC[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000268724553 427103058 /nfs/dbraw/zinc/10/30/58/427103058.db2.gz IVOJMHHRROFPPJ-OAHLLOKOSA-N 1 3 308.466 2.956 20 0 DFADHO CC[NH+](CC)CCCN[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000268724553 427103062 /nfs/dbraw/zinc/10/30/62/427103062.db2.gz IVOJMHHRROFPPJ-OAHLLOKOSA-N 1 3 308.466 2.956 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000268776373 427113086 /nfs/dbraw/zinc/11/30/86/427113086.db2.gz RPPBUSGCHFOSFG-JTDSTZFVSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccccc1Cn1ccnc1 ZINC000268776373 427113094 /nfs/dbraw/zinc/11/30/94/427113094.db2.gz RPPBUSGCHFOSFG-JTDSTZFVSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccccc1Cn1ccnc1 ZINC000268776373 427113097 /nfs/dbraw/zinc/11/30/97/427113097.db2.gz RPPBUSGCHFOSFG-JTDSTZFVSA-N 1 3 312.461 2.750 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000268802787 427122561 /nfs/dbraw/zinc/12/25/61/427122561.db2.gz HXFRMGPBLKINQV-JKSUJKDBSA-N 1 3 317.477 2.533 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000268802787 427122562 /nfs/dbraw/zinc/12/25/62/427122562.db2.gz HXFRMGPBLKINQV-JKSUJKDBSA-N 1 3 317.477 2.533 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000268828870 427132401 /nfs/dbraw/zinc/13/24/01/427132401.db2.gz ZZYSDKHVUJMBHN-NVXWUHKLSA-N 1 3 306.450 2.532 20 0 DFADHO CO[C@H](C)[C@@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000268830259 427132414 /nfs/dbraw/zinc/13/24/14/427132414.db2.gz WCWYWGDNICSJBD-QZTJIDSGSA-N 1 3 319.493 2.602 20 0 DFADHO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000296295562 427139913 /nfs/dbraw/zinc/13/99/13/427139913.db2.gz FPZZMDILQSFGQD-CABCVRRESA-N 1 3 308.466 2.827 20 0 DFADHO CC[C@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000269269872 427157407 /nfs/dbraw/zinc/15/74/07/427157407.db2.gz RUCALALMYOYLAG-ZBFHGGJFSA-N 1 3 303.450 2.504 20 0 DFADHO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC[C@@H]1CCCN1C ZINC000124730234 271028478 /nfs/dbraw/zinc/02/84/78/271028478.db2.gz AXWUEFVYPVULAQ-RDJZCZTQSA-N 1 3 313.449 2.744 20 0 DFADHO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000124730234 271028481 /nfs/dbraw/zinc/02/84/81/271028481.db2.gz AXWUEFVYPVULAQ-RDJZCZTQSA-N 1 3 313.449 2.744 20 0 DFADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000158528882 271075811 /nfs/dbraw/zinc/07/58/11/271075811.db2.gz LWQYLQOBSVKJIO-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000158528882 271075816 /nfs/dbraw/zinc/07/58/16/271075816.db2.gz LWQYLQOBSVKJIO-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000158528882 271075820 /nfs/dbraw/zinc/07/58/20/271075820.db2.gz LWQYLQOBSVKJIO-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000158528882 271075824 /nfs/dbraw/zinc/07/58/24/271075824.db2.gz LWQYLQOBSVKJIO-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)CC2 ZINC000162602520 271085524 /nfs/dbraw/zinc/08/55/24/271085524.db2.gz CIEQWQVUBWLBIU-QAPCUYQASA-N 1 3 302.462 2.874 20 0 DFADHO CCC[NH+]1CCC(NC[C@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC000227716559 271238555 /nfs/dbraw/zinc/23/85/55/271238555.db2.gz KNEFTWIXICAOOF-AWEZNQCLSA-N 1 3 313.486 2.754 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](CN)c1ccccc1)CC(C)C ZINC000236878814 271241508 /nfs/dbraw/zinc/24/15/08/271241508.db2.gz WAXLIQDENLVJOH-ROUUACIJSA-N 1 3 319.493 2.602 20 0 DFADHO [NH3+]CC1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CCCC1 ZINC000238054365 271256023 /nfs/dbraw/zinc/25/60/23/271256023.db2.gz MWJGVLXNMFQXND-AWEZNQCLSA-N 1 3 321.490 2.520 20 0 DFADHO COc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000270538881 271306604 /nfs/dbraw/zinc/30/66/04/271306604.db2.gz WSYXINQSGWDXMM-MRXNPFEDSA-N 1 3 306.425 2.998 20 0 DFADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000296397950 427170065 /nfs/dbraw/zinc/17/00/65/427170065.db2.gz LJKKIHBSTZEIJJ-QGZVFWFLSA-N 1 3 318.461 2.818 20 0 DFADHO CC(C)c1nc([C@@H]2CCCN(CC[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000333639033 271381954 /nfs/dbraw/zinc/38/19/54/271381954.db2.gz HVWBWCNWFZXPLD-LSDHHAIUSA-N 1 3 306.454 2.762 20 0 DFADHO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC1(O)CCN(C)CC1 ZINC000338177805 427175116 /nfs/dbraw/zinc/17/51/16/427175116.db2.gz CFVWGWQQHYKCHD-KAMYIIQDSA-N 1 3 308.853 2.790 20 0 DFADHO CN1CCN(CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1Cc1ccccc1 ZINC000284681270 427197556 /nfs/dbraw/zinc/19/75/56/427197556.db2.gz GXXGDZLXLUWOQN-VQTJNVASSA-N 1 3 315.505 2.720 20 0 DFADHO CN1CCN(CC[C@@H]2CCCC[N@H+]2C)C[C@H]1Cc1ccccc1 ZINC000284681270 427197561 /nfs/dbraw/zinc/19/75/61/427197561.db2.gz GXXGDZLXLUWOQN-VQTJNVASSA-N 1 3 315.505 2.720 20 0 DFADHO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000296486213 427198404 /nfs/dbraw/zinc/19/84/04/427198404.db2.gz OLEWEPMVOPLLOD-CABCVRRESA-N 1 3 308.466 2.827 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000269483448 427207090 /nfs/dbraw/zinc/20/70/90/427207090.db2.gz GLNXRZCKRRCIEV-QGZVFWFLSA-N 1 3 305.466 2.705 20 0 DFADHO CC(C)(O)CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285368414 427209800 /nfs/dbraw/zinc/20/98/00/427209800.db2.gz ATPJBSNWTBYEFG-IBGZPJMESA-N 1 3 302.462 2.745 20 0 DFADHO CC(C)(O)CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285368414 427209805 /nfs/dbraw/zinc/20/98/05/427209805.db2.gz ATPJBSNWTBYEFG-IBGZPJMESA-N 1 3 302.462 2.745 20 0 DFADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1nccn1C ZINC000183160677 427214710 /nfs/dbraw/zinc/21/47/10/427214710.db2.gz RZZGJVNJOJHVKQ-KRWDZBQOSA-N 1 3 313.449 2.772 20 0 DFADHO C[NH+](C)CCc1ccc(NC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000269518747 427215629 /nfs/dbraw/zinc/21/56/29/427215629.db2.gz RJSNSHLVMCSKSY-GOSISDBHSA-N 1 3 311.429 2.819 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@H]1CCCC(F)(F)C1 ZINC000338284020 427234545 /nfs/dbraw/zinc/23/45/45/427234545.db2.gz JBYROFVWVCECCE-ZJIFWQFVSA-N 1 3 316.436 2.995 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293308050 427282928 /nfs/dbraw/zinc/28/29/28/427282928.db2.gz IBUZCZJWFNCNHM-HNNXBMFYSA-N 1 3 303.450 2.525 20 0 DFADHO OCC1(c2ccccc2)CC[NH+](CCCN2CCCCC2)CC1 ZINC000293391317 427309593 /nfs/dbraw/zinc/30/95/93/427309593.db2.gz QNPMKWDMRKZKIV-UHFFFAOYSA-N 1 3 316.489 2.889 20 0 DFADHO COC(=O)CCC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285695116 427314927 /nfs/dbraw/zinc/31/49/27/427314927.db2.gz VONDHESTDMOQFN-IBGZPJMESA-N 1 3 316.445 2.538 20 0 DFADHO COC(=O)CCC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285695116 427314936 /nfs/dbraw/zinc/31/49/36/427314936.db2.gz VONDHESTDMOQFN-IBGZPJMESA-N 1 3 316.445 2.538 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000285744906 427326929 /nfs/dbraw/zinc/32/69/29/427326929.db2.gz RIZZBIQRGBBLIU-GDBMZVCRSA-N 1 3 320.477 2.875 20 0 DFADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000338446157 427327451 /nfs/dbraw/zinc/32/74/51/427327451.db2.gz SEVAHVKKOVIXOE-MAUKXSAKSA-N 1 3 312.461 2.968 20 0 DFADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000338446157 427327458 /nfs/dbraw/zinc/32/74/58/427327458.db2.gz SEVAHVKKOVIXOE-MAUKXSAKSA-N 1 3 312.461 2.968 20 0 DFADHO CN(CCC(=O)Nc1ccc(Cl)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000277825919 427333627 /nfs/dbraw/zinc/33/36/27/427333627.db2.gz LFQLXJBYRPZCIN-ZDUSSCGKSA-N 1 3 309.841 2.552 20 0 DFADHO CN(CCC(=O)Nc1ccc(Cl)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000277825919 427333630 /nfs/dbraw/zinc/33/36/30/427333630.db2.gz LFQLXJBYRPZCIN-ZDUSSCGKSA-N 1 3 309.841 2.552 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCc2c1c(F)ccc2F ZINC000269883836 427296335 /nfs/dbraw/zinc/29/63/35/427296335.db2.gz BEKZNYRYECDVOC-MLGOLLRUSA-N 1 3 312.404 2.899 20 0 DFADHO COCCOc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000293619695 427383834 /nfs/dbraw/zinc/38/38/34/427383834.db2.gz KPZVXOMNEUGSFH-IBGZPJMESA-N 1 3 318.461 2.630 20 0 DFADHO COCCOc1ccccc1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000293619695 427383838 /nfs/dbraw/zinc/38/38/38/427383838.db2.gz KPZVXOMNEUGSFH-IBGZPJMESA-N 1 3 318.461 2.630 20 0 DFADHO CC[C@]1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000262961572 427384788 /nfs/dbraw/zinc/38/47/88/427384788.db2.gz KIACETWPOXWHNT-CQSZACIVSA-N 1 3 315.339 2.635 20 0 DFADHO COC(=O)C(C)(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000338571942 427389883 /nfs/dbraw/zinc/38/98/83/427389883.db2.gz NSAJQMMCEPEJOL-LSDHHAIUSA-N 1 3 310.482 2.818 20 0 DFADHO COC(=O)C(C)(C)CCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338571942 427389890 /nfs/dbraw/zinc/38/98/90/427389890.db2.gz NSAJQMMCEPEJOL-LSDHHAIUSA-N 1 3 310.482 2.818 20 0 DFADHO COC(=O)C(C)(C)CCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338571942 427389897 /nfs/dbraw/zinc/38/98/97/427389897.db2.gz NSAJQMMCEPEJOL-LSDHHAIUSA-N 1 3 310.482 2.818 20 0 DFADHO Cc1ncsc1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297326454 427401620 /nfs/dbraw/zinc/40/16/20/427401620.db2.gz DAMSKLRAACCMJI-UHFFFAOYSA-N 1 3 302.447 2.648 20 0 DFADHO CN(CCN1CC[C@H]([NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000297349601 427402014 /nfs/dbraw/zinc/40/20/14/427402014.db2.gz BINVVHRZMSEOII-IBGZPJMESA-N 1 3 301.478 2.679 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]CC2=CCN(C)CC2)c(C)c1OC ZINC000286014975 427402338 /nfs/dbraw/zinc/40/23/38/427402338.db2.gz IIRJZCGPCQCMRE-CQSZACIVSA-N 1 3 304.434 2.925 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000278788925 427452024 /nfs/dbraw/zinc/45/20/24/427452024.db2.gz YPARTIQMDVFQCJ-RVKKMQEKSA-N 1 3 306.450 2.703 20 0 DFADHO CC(C)C[C@@H](CCO)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297818571 427461122 /nfs/dbraw/zinc/46/11/22/427461122.db2.gz YRDYCBYUUBSEDQ-MRXNPFEDSA-N 1 3 305.466 2.685 20 0 DFADHO C[C@@H]1C[N@H+](CCCN[C@H]2CCc3c2cccc3F)CCCO1 ZINC000278807487 427461591 /nfs/dbraw/zinc/46/15/91/427461591.db2.gz ZOAAQJGAQZRFOS-KDOFPFPSSA-N 1 3 306.425 2.904 20 0 DFADHO C[C@@H]1C[N@@H+](CCCN[C@H]2CCc3c2cccc3F)CCCO1 ZINC000278807487 427461597 /nfs/dbraw/zinc/46/15/97/427461597.db2.gz ZOAAQJGAQZRFOS-KDOFPFPSSA-N 1 3 306.425 2.904 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C4CCCC4)CC3)C2)cc1 ZINC000271284253 427482126 /nfs/dbraw/zinc/48/21/26/427482126.db2.gz OPCNOHNOZZXCED-HXUWFJFHSA-N 1 3 313.489 2.821 20 0 DFADHO c1ccc(C[N@H+]2CC[C@@H](N3CCN(C4CCCC4)CC3)C2)cc1 ZINC000271284253 427482134 /nfs/dbraw/zinc/48/21/34/427482134.db2.gz OPCNOHNOZZXCED-HXUWFJFHSA-N 1 3 313.489 2.821 20 0 DFADHO CC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000293901318 427482424 /nfs/dbraw/zinc/48/24/24/427482424.db2.gz ZPUCCHXTVMXAMY-CADBVGFASA-N 1 3 302.462 2.648 20 0 DFADHO C[C@@H]1C[C@H]1c1ccc(CNCCCC[N@@H+]2CCC[C@H]2CO)o1 ZINC000263164673 427427612 /nfs/dbraw/zinc/42/76/12/427427612.db2.gz PSLRVUXBDZFGFO-HLLBOEOZSA-N 1 3 306.450 2.730 20 0 DFADHO C[C@@H]1C[C@H]1c1ccc(CNCCCC[N@H+]2CCC[C@H]2CO)o1 ZINC000263164673 427427618 /nfs/dbraw/zinc/42/76/18/427427618.db2.gz PSLRVUXBDZFGFO-HLLBOEOZSA-N 1 3 306.450 2.730 20 0 DFADHO C[C@H]1C[C@H](CC[NH2+]C2CCN(c3ccncc3)CC2)CCO1 ZINC000297698010 427432760 /nfs/dbraw/zinc/43/27/60/427432760.db2.gz QFOBWRPLHMJGPC-JKSUJKDBSA-N 1 3 303.450 2.845 20 0 DFADHO C[C@@H](CO)[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000286150683 427437225 /nfs/dbraw/zinc/43/72/25/427437225.db2.gz PJPBJRBHFDTRAX-WZGPROSRSA-N 1 3 302.462 2.648 20 0 DFADHO Cc1cncc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000184361826 427446111 /nfs/dbraw/zinc/44/61/11/427446111.db2.gz NGWQIBHXNXDVSP-CVEARBPZSA-N 1 3 303.450 2.542 20 0 DFADHO CC[N@H+]1C[C@H](N[C@@H](CN(C)C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000338794739 427493422 /nfs/dbraw/zinc/49/34/22/427493422.db2.gz RAQAJNARKJARSN-JQFCIGGWSA-N 1 3 309.885 2.873 20 0 DFADHO CC[N@@H+]1C[C@H](N[C@@H](CN(C)C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000338794739 427493428 /nfs/dbraw/zinc/49/34/28/427493428.db2.gz RAQAJNARKJARSN-JQFCIGGWSA-N 1 3 309.885 2.873 20 0 DFADHO C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CCCC1 ZINC000184687280 427518483 /nfs/dbraw/zinc/51/84/83/427518483.db2.gz IORBWWDVFIKCBP-YJBOKZPZSA-N 1 3 317.477 2.574 20 0 DFADHO Cc1n[nH]cc1CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000271450597 427542214 /nfs/dbraw/zinc/54/22/14/427542214.db2.gz FRTIVNGSVICAMC-CYBMUJFWSA-N 1 3 302.422 2.509 20 0 DFADHO c1ccc(CN2CC[C@H](N3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000271470968 427551700 /nfs/dbraw/zinc/55/17/00/427551700.db2.gz YYBFGNKKVBNROG-PMACEKPBSA-N 1 3 313.489 2.679 20 0 DFADHO CN(C)CCN1CCC([NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000294147721 427563382 /nfs/dbraw/zinc/56/33/82/427563382.db2.gz HDJZLJLNVMJSJJ-UHFFFAOYSA-N 1 3 315.505 2.722 20 0 DFADHO Cn1c2ccccc2nc1CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000271526967 427571448 /nfs/dbraw/zinc/57/14/48/427571448.db2.gz REULPLBSXZOQOR-CVEARBPZSA-N 1 3 312.461 2.722 20 0 DFADHO Cn1c2ccccc2nc1CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000271526967 427571454 /nfs/dbraw/zinc/57/14/54/427571454.db2.gz REULPLBSXZOQOR-CVEARBPZSA-N 1 3 312.461 2.722 20 0 DFADHO C[C@@H](CNC(=O)c1ccc(CN2CCCCC2)cc1)C[NH+](C)C ZINC000294176276 427573553 /nfs/dbraw/zinc/57/35/53/427573553.db2.gz MOODTOWGDBEQRP-INIZCTEOSA-N 1 3 317.477 2.600 20 0 DFADHO CCC(CC)(CC)[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000184987245 427574739 /nfs/dbraw/zinc/57/47/39/427574739.db2.gz RPTGVDSVADUMJT-KRWDZBQOSA-N 1 3 319.493 2.964 20 0 DFADHO Cc1ccc(CN(C)C[C@H]2CC[N@H+](C)C2)c(-c2ccnn2C)c1 ZINC000338951000 427584537 /nfs/dbraw/zinc/58/45/37/427584537.db2.gz BVTVBXTUMINOAE-INIZCTEOSA-N 1 3 312.461 2.779 20 0 DFADHO Cc1ccc(CN(C)C[C@H]2CC[N@@H+](C)C2)c(-c2ccnn2C)c1 ZINC000338951000 427584544 /nfs/dbraw/zinc/58/45/44/427584544.db2.gz BVTVBXTUMINOAE-INIZCTEOSA-N 1 3 312.461 2.779 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)CCN1Cc1ccccc1 ZINC000271912235 427594285 /nfs/dbraw/zinc/59/42/85/427594285.db2.gz YCAGWXHXFWYDGJ-PXNSSMCTSA-N 1 3 313.489 2.891 20 0 DFADHO C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)N1CCc2ccccc2C1 ZINC000192751626 427600571 /nfs/dbraw/zinc/60/05/71/427600571.db2.gz KKXWKHYKICRKMR-MIJOPJBOSA-N 1 3 313.489 2.648 20 0 DFADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCc2ccccc2C1 ZINC000192751626 427600578 /nfs/dbraw/zinc/60/05/78/427600578.db2.gz KKXWKHYKICRKMR-MIJOPJBOSA-N 1 3 313.489 2.648 20 0 DFADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCc2ccccc2C1 ZINC000192751626 427600585 /nfs/dbraw/zinc/60/05/85/427600585.db2.gz KKXWKHYKICRKMR-MIJOPJBOSA-N 1 3 313.489 2.648 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCC[C@H](C)C1 ZINC000298434689 427610845 /nfs/dbraw/zinc/61/08/45/427610845.db2.gz NEVXBUDGECUHQU-IRXDYDNUSA-N 1 3 316.493 2.760 20 0 DFADHO COc1ccc(O[C@@H](C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192909134 427634704 /nfs/dbraw/zinc/63/47/04/427634704.db2.gz FWMCICJGYJQNJH-HNSVSWJLSA-N 1 3 304.434 2.677 20 0 DFADHO COc1ccc(O[C@@H](C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192909134 427634709 /nfs/dbraw/zinc/63/47/09/427634709.db2.gz FWMCICJGYJQNJH-HNSVSWJLSA-N 1 3 304.434 2.677 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccc(-n2ccnn2)c1 ZINC000287558206 427637214 /nfs/dbraw/zinc/63/72/14/427637214.db2.gz GBOQQIKZGJHYKV-UAGQMJEPSA-N 1 3 313.449 2.791 20 0 DFADHO C[C@H](CN1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000192936209 427637694 /nfs/dbraw/zinc/63/76/94/427637694.db2.gz RAEFFFQHTQIVOH-GOSISDBHSA-N 1 3 301.478 2.504 20 0 DFADHO C[C@@H]1CC2(CN1Cc1nc(-c3ccccc3)no1)CC[NH2+]CC2 ZINC000333546146 427644989 /nfs/dbraw/zinc/64/49/89/427644989.db2.gz IRPWGSMYKCYJOH-CQSZACIVSA-N 1 3 312.417 2.701 20 0 DFADHO CCN1CCN(CCC[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193003362 427650099 /nfs/dbraw/zinc/65/00/99/427650099.db2.gz CWRUXWIZEKXKLG-UHFFFAOYSA-N 1 3 301.887 2.519 20 0 DFADHO Cc1ccc2nc(CNC3CCN(c4cc[nH+]cc4)CC3)cn2c1 ZINC000298606927 427656936 /nfs/dbraw/zinc/65/69/36/427656936.db2.gz ZSISAFFIBTXQSY-UHFFFAOYSA-N 1 3 321.428 2.796 20 0 DFADHO CCSc1cccc(C[NH2+]CCCN2CCN(CC)CC2)c1 ZINC000185465662 427657835 /nfs/dbraw/zinc/65/78/35/427657835.db2.gz DAKNMMKIBRYTLO-UHFFFAOYSA-N 1 3 321.534 2.916 20 0 DFADHO C[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCC(C)CC1 ZINC000298484526 427625195 /nfs/dbraw/zinc/62/51/95/427625195.db2.gz PPVQDBDAIDWVQM-KRWDZBQOSA-N 1 3 316.493 2.760 20 0 DFADHO CCC[NH+]1CCC(CN[C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000343511345 272163149 /nfs/dbraw/zinc/16/31/49/272163149.db2.gz NPGFNTDXEMADAR-QGZVFWFLSA-N 1 3 313.449 2.606 20 0 DFADHO CO[C@H](C)CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000295053175 427674946 /nfs/dbraw/zinc/67/49/46/427674946.db2.gz PTLVHFBHZQXCLX-XGXHKWSGSA-N 1 3 302.462 2.912 20 0 DFADHO CC[NH+](CC)CC1CCN([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000343577300 272175148 /nfs/dbraw/zinc/17/51/48/272175148.db2.gz IQYABFZAMJQKSM-QGZVFWFLSA-N 1 3 323.525 2.831 20 0 DFADHO C[C@H](CN[C@H](C)c1cccc(-n2ccnn2)c1)C[NH+]1CCCC1 ZINC000287708800 427675633 /nfs/dbraw/zinc/67/56/33/427675633.db2.gz NZWJNEAVWZNGNS-HZPDHXFCSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@H](C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1)CN1CCCC1 ZINC000287708800 427675639 /nfs/dbraw/zinc/67/56/39/427675639.db2.gz NZWJNEAVWZNGNS-HZPDHXFCSA-N 1 3 313.449 2.650 20 0 DFADHO CC[N@H+]1C[C@H](NCc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000343730874 272209446 /nfs/dbraw/zinc/20/94/46/272209446.db2.gz FGEFFHAMCDQFJA-GUYCJALGSA-N 1 3 316.424 2.750 20 0 DFADHO CC[N@@H+]1C[C@H](NCc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000343730874 272209448 /nfs/dbraw/zinc/20/94/48/272209448.db2.gz FGEFFHAMCDQFJA-GUYCJALGSA-N 1 3 316.424 2.750 20 0 DFADHO CCOc1cc2nccc(N[C@@H](C)C[NH+](C)C)c2cc1OCC ZINC000343785057 272218568 /nfs/dbraw/zinc/21/85/68/272218568.db2.gz FVSVZLJUDHHGSE-ZDUSSCGKSA-N 1 3 317.433 2.816 20 0 DFADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C12CCC2 ZINC000344045748 272252699 /nfs/dbraw/zinc/25/26/99/272252699.db2.gz GSDDCPCHXPZHCS-IECFSIQFSA-N 1 3 324.509 2.669 20 0 DFADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000344070461 272256864 /nfs/dbraw/zinc/25/68/64/272256864.db2.gz SMUYZBZXZMCGJD-BPKGMFCQSA-N 1 3 312.498 2.525 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000344177966 272280318 /nfs/dbraw/zinc/28/03/18/272280318.db2.gz UEQLLKCPJJISPN-DLBZAZTESA-N 1 3 311.514 2.878 20 0 DFADHO C[N@H+]1CC=C(CN[C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000344294595 272306221 /nfs/dbraw/zinc/30/62/21/272306221.db2.gz JEMHBOVTXFCAKP-LJQANCHMSA-N 1 3 308.429 2.612 20 0 DFADHO C[N@@H+]1CC=C(CN[C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000344294595 272306223 /nfs/dbraw/zinc/30/62/23/272306223.db2.gz JEMHBOVTXFCAKP-LJQANCHMSA-N 1 3 308.429 2.612 20 0 DFADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000344307642 272308910 /nfs/dbraw/zinc/30/89/10/272308910.db2.gz XLANDMLUOGKTGQ-CYBMUJFWSA-N 1 3 313.445 2.829 20 0 DFADHO CC[C@H](C(=O)N1CCC(C[NH+](CC)CC)CC1)N(CC)CC ZINC000344832691 272375426 /nfs/dbraw/zinc/37/54/26/272375426.db2.gz SPUXIJTXULWMJP-QGZVFWFLSA-N 1 3 311.514 2.687 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(C)cc(Cl)c2)CC1 ZINC000339185037 427721893 /nfs/dbraw/zinc/72/18/93/427721893.db2.gz VJLVZDYIEYTHPD-HNNXBMFYSA-N 1 3 309.885 2.764 20 0 DFADHO O=C(CC1CC[NH+](CCCN2CCCCC2)CC1)N1CCCC1 ZINC000193471974 427694431 /nfs/dbraw/zinc/69/44/31/427694431.db2.gz SPAAEILTKCMHRX-UHFFFAOYSA-N 1 3 321.509 2.587 20 0 DFADHO C[C@@H](NC[C@H](O)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185743831 427699613 /nfs/dbraw/zinc/69/96/13/427699613.db2.gz RULDFLQLFMDPOL-YVWKXTFCSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@@H](NC[C@H](O)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185743831 427699615 /nfs/dbraw/zinc/69/96/15/427699615.db2.gz RULDFLQLFMDPOL-YVWKXTFCSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185743831 427699623 /nfs/dbraw/zinc/69/96/23/427699623.db2.gz RULDFLQLFMDPOL-YVWKXTFCSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)CC1CCCCC1 ZINC000336862346 427765224 /nfs/dbraw/zinc/76/52/24/427765224.db2.gz DRHAJLZXRAHZHL-DOTOQJQBSA-N 1 3 309.498 2.665 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)CC1CCCCC1 ZINC000336862346 427765226 /nfs/dbraw/zinc/76/52/26/427765226.db2.gz DRHAJLZXRAHZHL-DOTOQJQBSA-N 1 3 309.498 2.665 20 0 DFADHO COc1ccc(CN(C[C@H]2CCC[NH2+]C2)[C@H](CO)C(C)C)cc1 ZINC000339431727 427774092 /nfs/dbraw/zinc/77/40/92/427774092.db2.gz UUFWGADDRNARKK-PKOBYXMFSA-N 1 3 320.477 2.514 20 0 DFADHO COc1ccc(C[N@H+](C[C@H]2CCCNC2)[C@H](CO)C(C)C)cc1 ZINC000339431727 427774095 /nfs/dbraw/zinc/77/40/95/427774095.db2.gz UUFWGADDRNARKK-PKOBYXMFSA-N 1 3 320.477 2.514 20 0 DFADHO COc1ccc(C[N@@H+](C[C@H]2CCCNC2)[C@H](CO)C(C)C)cc1 ZINC000339431727 427774096 /nfs/dbraw/zinc/77/40/96/427774096.db2.gz UUFWGADDRNARKK-PKOBYXMFSA-N 1 3 320.477 2.514 20 0 DFADHO CC[NH+]1CCN(c2ccccc2CN[C@@H]2CCC[C@H]2F)CC1 ZINC000339588468 427797545 /nfs/dbraw/zinc/79/75/45/427797545.db2.gz YYCGINFYBNPBHX-IAGOWNOFSA-N 1 3 305.441 2.809 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)CC1 ZINC000339714156 427816791 /nfs/dbraw/zinc/81/67/91/427816791.db2.gz AYBRYUPFWRXOCX-ROUUACIJSA-N 1 3 307.526 2.913 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)CC1 ZINC000339714156 427816792 /nfs/dbraw/zinc/81/67/92/427816792.db2.gz AYBRYUPFWRXOCX-ROUUACIJSA-N 1 3 307.526 2.913 20 0 DFADHO CCc1cc(N2CCN(C[C@H](C)O)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000301802685 427825485 /nfs/dbraw/zinc/82/54/85/427825485.db2.gz UAKOTIYPPOLMQP-CABCVRRESA-N 1 3 313.445 2.689 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000349656408 427838958 /nfs/dbraw/zinc/83/89/58/427838958.db2.gz PPTSKYDESGRKPV-RCCFBDPRSA-N 1 3 323.525 2.686 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000349656408 427838960 /nfs/dbraw/zinc/83/89/60/427838960.db2.gz PPTSKYDESGRKPV-RCCFBDPRSA-N 1 3 323.525 2.686 20 0 DFADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)c2cccs2)CC1 ZINC000337312147 427839250 /nfs/dbraw/zinc/83/92/50/427839250.db2.gz DNMGKXYPFLGLFS-UHFFFAOYSA-N 1 3 309.523 2.989 20 0 DFADHO CC[C@@H]1C[C@H](C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000355675761 427843824 /nfs/dbraw/zinc/84/38/24/427843824.db2.gz WANNRHCLHMVYMG-XMTFNYHQSA-N 1 3 312.498 2.671 20 0 DFADHO CCCc1cc(N2CCN(C[C@@H](C)O)CC2)c2ccccc2[nH+]1 ZINC000302508020 427853989 /nfs/dbraw/zinc/85/39/89/427853989.db2.gz FHQCWZNUFGWLOU-OAHLLOKOSA-N 1 3 313.445 2.690 20 0 DFADHO CC(C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000340469541 427857113 /nfs/dbraw/zinc/85/71/13/427857113.db2.gz KMLPBMKGNLTKRY-GOSISDBHSA-N 1 3 302.462 2.913 20 0 DFADHO CC(C)CN(CCN(C)C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000340527111 427872824 /nfs/dbraw/zinc/87/28/24/427872824.db2.gz BWFLLXZNJIZGSK-QGZVFWFLSA-N 1 3 323.525 2.687 20 0 DFADHO CC(C)CN(CCN(C)C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000340527111 427872829 /nfs/dbraw/zinc/87/28/29/427872829.db2.gz BWFLLXZNJIZGSK-QGZVFWFLSA-N 1 3 323.525 2.687 20 0 DFADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)N1CCCCC1 ZINC000345759657 427890929 /nfs/dbraw/zinc/89/09/29/427890929.db2.gz ZHUTUNYFQLHIDC-MSOLQXFVSA-N 1 3 323.525 2.878 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337409597 427892666 /nfs/dbraw/zinc/89/26/66/427892666.db2.gz WHJBSJKCTIYADP-CVEARBPZSA-N 1 3 320.477 2.875 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000349938063 427901317 /nfs/dbraw/zinc/90/13/17/427901317.db2.gz UGKRGGFRGBQJPV-AWEZNQCLSA-N 1 3 306.454 2.598 20 0 DFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000349938063 427901325 /nfs/dbraw/zinc/90/13/25/427901325.db2.gz UGKRGGFRGBQJPV-AWEZNQCLSA-N 1 3 306.454 2.598 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000337469178 427920182 /nfs/dbraw/zinc/92/01/82/427920182.db2.gz OPIRZWUTSFKONL-LSDHHAIUSA-N 1 3 321.431 2.675 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000337469178 427920187 /nfs/dbraw/zinc/92/01/87/427920187.db2.gz OPIRZWUTSFKONL-LSDHHAIUSA-N 1 3 321.431 2.675 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(CC)C2)[C@H]1Oc1ccccc1 ZINC000359660900 427959646 /nfs/dbraw/zinc/95/96/46/427959646.db2.gz MMEWTQYUGRGFCM-GDAAHCPNSA-N 1 3 318.461 2.543 20 0 DFADHO C[C@H](CCCC(F)(F)F)[NH2+]CCCN1CCCN(C)CC1 ZINC000359659231 427960954 /nfs/dbraw/zinc/96/09/54/427960954.db2.gz GOEBMCRDBSZKGZ-CQSZACIVSA-N 1 3 309.420 2.725 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000359667053 427965016 /nfs/dbraw/zinc/96/50/16/427965016.db2.gz SHSXDPLVNBCVIR-KRWDZBQOSA-N 1 3 309.498 2.585 20 0 DFADHO CCCN(CCN1CCCC1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000359667053 427965021 /nfs/dbraw/zinc/96/50/21/427965021.db2.gz SHSXDPLVNBCVIR-KRWDZBQOSA-N 1 3 309.498 2.585 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H]2CCc3cn[nH]c3C2)C[C@@H]1c1ccccc1 ZINC000340262555 427969372 /nfs/dbraw/zinc/96/93/72/427969372.db2.gz LNBFOVVVAQRBPI-ZIFCJYIRSA-N 1 3 310.445 2.692 20 0 DFADHO COC1(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCCCC1 ZINC000359700170 427978071 /nfs/dbraw/zinc/97/80/71/427978071.db2.gz MJVNCSVRGPGDGY-ROUUACIJSA-N 1 3 324.509 2.693 20 0 DFADHO C[C@@H]1[C@@H]([NH2+]CC2=CCN(C)CC2)CCCN1Cc1ccccc1 ZINC000340314543 427984309 /nfs/dbraw/zinc/98/43/09/427984309.db2.gz DVJCMEYLKCNNAL-XLIONFOSSA-N 1 3 313.489 2.891 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)[C@@H]1Oc1ccccc1 ZINC000359716203 427986670 /nfs/dbraw/zinc/98/66/70/427986670.db2.gz MLKALXCMCJVTCK-QRVBRYPASA-N 1 3 318.461 2.687 20 0 DFADHO CN1CC[C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340175496 427944776 /nfs/dbraw/zinc/94/47/76/427944776.db2.gz LDADMSDUDJXNRP-QRFRQXIXSA-N 1 3 313.489 2.896 20 0 DFADHO CN1CC[C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340175497 427945830 /nfs/dbraw/zinc/94/58/30/427945830.db2.gz LDADMSDUDJXNRP-XKGZKEIXSA-N 1 3 313.489 2.896 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340364923 428000249 /nfs/dbraw/zinc/00/02/49/428000249.db2.gz GDRJHVYORVLJBL-KBPBESRZSA-N 1 3 302.340 2.948 20 0 DFADHO C[N@H+]1CC[C@H](NCCOC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340364923 428000256 /nfs/dbraw/zinc/00/02/56/428000256.db2.gz GDRJHVYORVLJBL-KBPBESRZSA-N 1 3 302.340 2.948 20 0 DFADHO C[C@H]1CCCCN1CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000360007761 428115675 /nfs/dbraw/zinc/11/56/75/428115675.db2.gz RDAYVHHMNXDLFT-IRXDYDNUSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]1CCCCN1CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000360007761 428115681 /nfs/dbraw/zinc/11/56/81/428115681.db2.gz RDAYVHHMNXDLFT-IRXDYDNUSA-N 1 3 321.509 2.632 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000360016438 428116430 /nfs/dbraw/zinc/11/64/30/428116430.db2.gz MHGAEMMJKQBTSV-WBVHZDCISA-N 1 3 318.461 2.662 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000360016438 428116433 /nfs/dbraw/zinc/11/64/33/428116433.db2.gz MHGAEMMJKQBTSV-WBVHZDCISA-N 1 3 318.461 2.662 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000360016434 428116702 /nfs/dbraw/zinc/11/67/02/428116702.db2.gz MHGAEMMJKQBTSV-DOTOQJQBSA-N 1 3 318.461 2.662 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000360016434 428116705 /nfs/dbraw/zinc/11/67/05/428116705.db2.gz MHGAEMMJKQBTSV-DOTOQJQBSA-N 1 3 318.461 2.662 20 0 DFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)C(C)C)CC1 ZINC000360025019 428123227 /nfs/dbraw/zinc/12/32/27/428123227.db2.gz QTKFHHYRWBIOIP-QGZVFWFLSA-N 1 3 303.494 2.958 20 0 DFADHO CCCNC(=[NH2+])NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000370167567 428150752 /nfs/dbraw/zinc/15/07/52/428150752.db2.gz QZNNQKSOFIBSSC-ZFWWWQNUSA-N 1 3 308.857 2.857 20 0 DFADHO Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000356523051 428217372 /nfs/dbraw/zinc/21/73/72/428217372.db2.gz JMGQIBCESLRYRT-OALUTQOASA-N 1 3 324.472 2.980 20 0 DFADHO Cc1n[nH]c(C)c1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000356523051 428217378 /nfs/dbraw/zinc/21/73/78/428217378.db2.gz JMGQIBCESLRYRT-OALUTQOASA-N 1 3 324.472 2.980 20 0 DFADHO C[C@@H]1C[C@H](C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000352713391 428217576 /nfs/dbraw/zinc/21/75/76/428217576.db2.gz DDRCBIPJYQQRNI-VXIBKDFQSA-N 1 3 324.509 2.623 20 0 DFADHO Cc1cc2ncc([C@H](C)NCC[C@@H]3CCC[N@H+](C)C3)c(C)n2n1 ZINC000414169645 428221159 /nfs/dbraw/zinc/22/11/59/428221159.db2.gz BFZUEDBUUUUVJF-HOCLYGCPSA-N 1 3 315.465 2.729 20 0 DFADHO Cc1cc2ncc([C@H](C)NCC[C@@H]3CCC[N@@H+](C)C3)c(C)n2n1 ZINC000414169645 428221163 /nfs/dbraw/zinc/22/11/63/428221163.db2.gz BFZUEDBUUUUVJF-HOCLYGCPSA-N 1 3 315.465 2.729 20 0 DFADHO C[N@H+](CC[C@@H]1CCCO1)CC1CCN(c2ccncc2)CC1 ZINC000346590270 428231420 /nfs/dbraw/zinc/23/14/20/428231420.db2.gz YARWUDBVLRNQSU-SFHVURJKSA-N 1 3 303.450 2.799 20 0 DFADHO C[N@@H+](CC[C@@H]1CCCO1)CC1CCN(c2ccncc2)CC1 ZINC000346590270 428231425 /nfs/dbraw/zinc/23/14/25/428231425.db2.gz YARWUDBVLRNQSU-SFHVURJKSA-N 1 3 303.450 2.799 20 0 DFADHO C[NH2+]CCC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000346690308 428273173 /nfs/dbraw/zinc/27/31/73/428273173.db2.gz UCLRRWRSJYUYFR-UHFFFAOYSA-N 1 3 302.466 2.503 20 0 DFADHO [NH3+]CC1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000346688798 428273568 /nfs/dbraw/zinc/27/35/68/428273568.db2.gz OOJOAMJOEAJMAM-UHFFFAOYSA-N 1 3 304.825 2.901 20 0 DFADHO [NH3+]CC1CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000346692205 428276944 /nfs/dbraw/zinc/27/69/44/428276944.db2.gz ZTJPTZUFXYOXNR-UHFFFAOYSA-N 1 3 311.429 2.831 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](C1CC1)N(C)C ZINC000360414201 428288285 /nfs/dbraw/zinc/28/82/85/428288285.db2.gz ORYFURPKKPLSBW-AHRSYUTCSA-N 1 3 315.505 2.827 20 0 DFADHO COCCOCc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000342080857 428295626 /nfs/dbraw/zinc/29/56/26/428295626.db2.gz IBIPHFFWGAZLDM-UHFFFAOYSA-N 1 3 320.477 2.812 20 0 DFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000370767477 428296116 /nfs/dbraw/zinc/29/61/16/428296116.db2.gz UGYYJTUKLTXHPO-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO CN1CC[C@H]([NH2+]CCOc2ncccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000370586053 428246198 /nfs/dbraw/zinc/24/61/98/428246198.db2.gz ZXPMRUSUPKEFJF-QEJZJMRPSA-N 1 3 309.841 2.576 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOc2ncccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000370586053 428246201 /nfs/dbraw/zinc/24/62/01/428246201.db2.gz ZXPMRUSUPKEFJF-QEJZJMRPSA-N 1 3 309.841 2.576 20 0 DFADHO C[N@H+]1CC[C@H](NCCOc2ncccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000370586053 428246206 /nfs/dbraw/zinc/24/62/06/428246206.db2.gz ZXPMRUSUPKEFJF-QEJZJMRPSA-N 1 3 309.841 2.576 20 0 DFADHO CN1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)[C@H]2CCC[C@@H]21 ZINC000370583275 428246344 /nfs/dbraw/zinc/24/63/44/428246344.db2.gz IVRFQTHUKAYLHF-ILXRZTDVSA-N 1 3 309.841 2.576 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOc2ccc(Cl)cn2)[C@H]2CCC[C@@H]21 ZINC000370583275 428246348 /nfs/dbraw/zinc/24/63/48/428246348.db2.gz IVRFQTHUKAYLHF-ILXRZTDVSA-N 1 3 309.841 2.576 20 0 DFADHO C[N@H+]1CC[C@H](NCCOc2ccc(Cl)cn2)[C@H]2CCC[C@@H]21 ZINC000370583275 428246352 /nfs/dbraw/zinc/24/63/52/428246352.db2.gz IVRFQTHUKAYLHF-ILXRZTDVSA-N 1 3 309.841 2.576 20 0 DFADHO C[C@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1F ZINC000370624817 428256359 /nfs/dbraw/zinc/25/63/59/428256359.db2.gz QBDLXNOYFMJQOT-DZGCQCFKSA-N 1 3 323.431 2.784 20 0 DFADHO CCC[C@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414322231 428260270 /nfs/dbraw/zinc/26/02/70/428260270.db2.gz GLIBTUYRHUMEMD-HNNXBMFYSA-N 1 3 317.477 2.662 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ncc(CN(C)C)s1 ZINC000352814090 428260387 /nfs/dbraw/zinc/26/03/87/428260387.db2.gz KPQMYIWFSFZQTG-HNNXBMFYSA-N 1 3 324.538 2.949 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ncc(CN(C)C)s1 ZINC000352814090 428260393 /nfs/dbraw/zinc/26/03/93/428260393.db2.gz KPQMYIWFSFZQTG-HNNXBMFYSA-N 1 3 324.538 2.949 20 0 DFADHO N[C@H](CC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000370860672 428310287 /nfs/dbraw/zinc/31/02/87/428310287.db2.gz JNDCWAYUXJEHPT-ZWKOTPCHSA-N 1 3 315.461 2.553 20 0 DFADHO Cn1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2cccs2)n1 ZINC000346824065 428331517 /nfs/dbraw/zinc/33/15/17/428331517.db2.gz KWIOQPTWQGRQHE-QEJZJMRPSA-N 1 3 316.474 2.708 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]21 ZINC000346823065 428332808 /nfs/dbraw/zinc/33/28/08/428332808.db2.gz KEERQLXTSXHVIZ-IAOVAPTHSA-N 1 3 314.408 2.775 20 0 DFADHO C[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@@H]1CCCOC1 ZINC000356857468 428340382 /nfs/dbraw/zinc/34/03/82/428340382.db2.gz XCEUJDIJXCNMAI-NVXWUHKLSA-N 1 3 306.450 2.532 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000356884918 428347695 /nfs/dbraw/zinc/34/76/95/428347695.db2.gz PSGKREULUCALMY-GJZGRUSLSA-N 1 3 300.406 2.654 20 0 DFADHO c1cn2c(n1)CC[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000371479210 428392810 /nfs/dbraw/zinc/39/28/10/428392810.db2.gz DWLUXMVGZBHALI-INIZCTEOSA-N 1 3 302.466 2.585 20 0 DFADHO c1cn2c(n1)CC[C@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000371479210 428392816 /nfs/dbraw/zinc/39/28/16/428392816.db2.gz DWLUXMVGZBHALI-INIZCTEOSA-N 1 3 302.466 2.585 20 0 DFADHO C[C@@H](C(=O)NCCCCC[NH+]1CCCC1)N1CCCCCC1 ZINC000357109545 428393064 /nfs/dbraw/zinc/39/30/64/428393064.db2.gz IXWPGRXQBGYXHA-KRWDZBQOSA-N 1 3 309.498 2.633 20 0 DFADHO c1cn2c(n1)CC[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000371479211 428393317 /nfs/dbraw/zinc/39/33/17/428393317.db2.gz DWLUXMVGZBHALI-MRXNPFEDSA-N 1 3 302.466 2.585 20 0 DFADHO c1cn2c(n1)CC[C@@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000371479211 428393320 /nfs/dbraw/zinc/39/33/20/428393320.db2.gz DWLUXMVGZBHALI-MRXNPFEDSA-N 1 3 302.466 2.585 20 0 DFADHO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414751211 428393671 /nfs/dbraw/zinc/39/36/71/428393671.db2.gz AAMGUXZLMNCWPH-FZCLSBEQSA-N 1 3 316.445 2.753 20 0 DFADHO CN(C)Cc1cccc(C(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000357114566 428395253 /nfs/dbraw/zinc/39/52/53/428395253.db2.gz XJHZFZPQWQNFFN-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414764716 428398518 /nfs/dbraw/zinc/39/85/18/428398518.db2.gz OUFZBHXEKBYLMW-IXDOHACOSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@H](C[NH3+])C1CC1 ZINC000414792018 428414178 /nfs/dbraw/zinc/41/41/78/428414178.db2.gz BUVFQRKUMQLYOU-CXAGYDPISA-N 1 3 303.450 2.854 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000360690263 428400304 /nfs/dbraw/zinc/40/03/04/428400304.db2.gz MVWRECGOQNZWQC-CRAIPNDOSA-N 1 3 321.534 2.890 20 0 DFADHO c1cc(-c2n[nH]cc2CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414774624 428400418 /nfs/dbraw/zinc/40/04/18/428400418.db2.gz FMZVKKUSAIMANY-UONOGXRCSA-N 1 3 316.474 2.960 20 0 DFADHO C[C@H]([NH3+])C1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000346996985 428401640 /nfs/dbraw/zinc/40/16/40/428401640.db2.gz BXKQZDBCKVWMOS-JTQLQIEISA-N 1 3 302.340 2.986 20 0 DFADHO C[C@H](CC[N@@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000414775723 428403059 /nfs/dbraw/zinc/40/30/59/428403059.db2.gz GNGDJFPAYZTOCO-AEFFLSMTSA-N 1 3 302.462 2.868 20 0 DFADHO C[C@H](CC[N@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccccc1 ZINC000414775723 428403065 /nfs/dbraw/zinc/40/30/65/428403065.db2.gz GNGDJFPAYZTOCO-AEFFLSMTSA-N 1 3 302.462 2.868 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000347004598 428404719 /nfs/dbraw/zinc/40/47/19/428404719.db2.gz AESLUZHYBNDRCQ-UHFFFAOYSA-N 1 3 312.461 2.909 20 0 DFADHO CC(C)c1ccc(NC(=O)C[C@@H](C)NC2CC[NH2+]CC2)cc1 ZINC000414783269 428406113 /nfs/dbraw/zinc/40/61/13/428406113.db2.gz QJOKISKBJPPKRR-CQSZACIVSA-N 1 3 303.450 2.869 20 0 DFADHO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C2CCNCC2)cc1 ZINC000414783269 428406119 /nfs/dbraw/zinc/40/61/19/428406119.db2.gz QJOKISKBJPPKRR-CQSZACIVSA-N 1 3 303.450 2.869 20 0 DFADHO CC[NH2+]CC1CCN(Cc2ccccc2OCCOC)CC1 ZINC000347010087 428408916 /nfs/dbraw/zinc/40/89/16/428408916.db2.gz FUXLLIUHGSWLOG-UHFFFAOYSA-N 1 3 306.450 2.533 20 0 DFADHO [NH3+]C[C@H]1CN(Cc2ccc(C(F)F)cc2)CC12CCOCC2 ZINC000414788886 428409410 /nfs/dbraw/zinc/40/94/10/428409410.db2.gz XLRWSTIRDPGGDQ-HNNXBMFYSA-N 1 3 310.388 2.812 20 0 DFADHO COc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000414790103 428414483 /nfs/dbraw/zinc/41/44/83/428414483.db2.gz ZLEDZNBCYRDCIR-LSDHHAIUSA-N 1 3 304.434 2.525 20 0 DFADHO COc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1Br ZINC000414785900 428410930 /nfs/dbraw/zinc/41/09/30/428410930.db2.gz ABUXOHOHNLGDKB-DGCLKSJQSA-N 1 3 313.239 2.675 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(OCC(F)(F)F)c1 ZINC000414794830 428413263 /nfs/dbraw/zinc/41/32/63/428413263.db2.gz MGIREYYDDMCENS-GXTWGEPZSA-N 1 3 302.340 2.845 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(Oc2cnccn2)cc1 ZINC000414792959 428413298 /nfs/dbraw/zinc/41/32/98/428413298.db2.gz CUFUQGKDVXBWRP-WBVHZDCISA-N 1 3 312.417 2.876 20 0 DFADHO C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414682808 428372632 /nfs/dbraw/zinc/37/26/32/428372632.db2.gz YYTFGZBWNCGFTP-ZIAGYGMSSA-N 1 3 323.868 2.530 20 0 DFADHO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414682808 428372635 /nfs/dbraw/zinc/37/26/35/428372635.db2.gz YYTFGZBWNCGFTP-ZIAGYGMSSA-N 1 3 323.868 2.530 20 0 DFADHO C[C@H]1C[C@H](CN2CCN(Cc3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC000414681091 428373389 /nfs/dbraw/zinc/37/33/89/428373389.db2.gz OKIBUNNEQOQFAJ-DOTOQJQBSA-N 1 3 321.896 2.846 20 0 DFADHO COc1cc(C)c(CN2CCC([C@H]3CC[NH2+]C3)CC2)c(C)n1 ZINC000357071133 428380436 /nfs/dbraw/zinc/38/04/36/428380436.db2.gz GHVMLHQWCSQVPA-INIZCTEOSA-N 1 3 303.450 2.529 20 0 DFADHO c1cnn(-c2ccc(CNCCC[NH2+]Cc3cccnc3)cc2)c1 ZINC000414878107 428441260 /nfs/dbraw/zinc/44/12/60/428441260.db2.gz NJIUNGWRVRFGEG-UHFFFAOYSA-N 1 3 321.428 2.537 20 0 DFADHO C[C@H](Cc1ccc(Br)c(F)c1)NC[C@H]([NH3+])C1CC1 ZINC000414883303 428443454 /nfs/dbraw/zinc/44/34/54/428443454.db2.gz DIURWZJNOUKGPD-OTYXRUKQSA-N 1 3 315.230 2.846 20 0 DFADHO C[C@@H](Cc1ccc(Br)c(F)c1)NC[C@@H]([NH3+])C1CC1 ZINC000414883301 428444183 /nfs/dbraw/zinc/44/41/83/428444183.db2.gz DIURWZJNOUKGPD-LKFCYVNXSA-N 1 3 315.230 2.846 20 0 DFADHO NC1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CCC1 ZINC000414881671 428444372 /nfs/dbraw/zinc/44/43/72/428444372.db2.gz SNKRAVCEFGCFDD-UHFFFAOYSA-N 1 3 307.869 2.775 20 0 DFADHO [NH3+]C1(CNC2CCN(Cc3ccccc3Cl)CC2)CCC1 ZINC000414881671 428444378 /nfs/dbraw/zinc/44/43/78/428444378.db2.gz SNKRAVCEFGCFDD-UHFFFAOYSA-N 1 3 307.869 2.775 20 0 DFADHO COCCCOc1cccc(CN2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000347098507 428445539 /nfs/dbraw/zinc/44/55/39/428445539.db2.gz IVWIIALROXFMRB-OAHLLOKOSA-N 1 3 306.450 2.661 20 0 DFADHO CC[NH2+]CC1CCN(Cc2ccc(OCC)c(OC)c2)CC1 ZINC000347151366 428470351 /nfs/dbraw/zinc/47/03/51/428470351.db2.gz ATJPKXAACOTCOA-UHFFFAOYSA-N 1 3 306.450 2.915 20 0 DFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000357228516 428445775 /nfs/dbraw/zinc/44/57/75/428445775.db2.gz XZDHZEWKLVEKSV-YOEHRIQHSA-N 1 3 323.506 2.589 20 0 DFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000357228516 428445778 /nfs/dbraw/zinc/44/57/78/428445778.db2.gz XZDHZEWKLVEKSV-YOEHRIQHSA-N 1 3 323.506 2.589 20 0 DFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000357228510 428446771 /nfs/dbraw/zinc/44/67/71/428446771.db2.gz XZDHZEWKLVEKSV-PBHICJAKSA-N 1 3 323.506 2.589 20 0 DFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000357228510 428446777 /nfs/dbraw/zinc/44/67/77/428446777.db2.gz XZDHZEWKLVEKSV-PBHICJAKSA-N 1 3 323.506 2.589 20 0 DFADHO N[C@@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000414888002 428447043 /nfs/dbraw/zinc/44/70/43/428447043.db2.gz JMCHUFZOGIDAQU-KRWDZBQOSA-N 1 3 307.869 2.631 20 0 DFADHO [NH3+][C@@H](CNC1CCN(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000414888002 428447048 /nfs/dbraw/zinc/44/70/48/428447048.db2.gz JMCHUFZOGIDAQU-KRWDZBQOSA-N 1 3 307.869 2.631 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000353254461 428452088 /nfs/dbraw/zinc/45/20/88/428452088.db2.gz NXBLRCMGZJDDCR-IEZWGBDMSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@H]([NH3+])C1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000347117841 428453555 /nfs/dbraw/zinc/45/35/55/428453555.db2.gz XFOCDOLSCHDXMI-LBPRGKRZSA-N 1 3 302.397 2.775 20 0 DFADHO C[NH2+]CC1CCN(Cc2cn(C)nc2-c2cccs2)CC1 ZINC000347117660 428454091 /nfs/dbraw/zinc/45/40/91/428454091.db2.gz WXQINKBANIMPTN-UHFFFAOYSA-N 1 3 304.463 2.580 20 0 DFADHO CCC[C@H](NCC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000357256287 428456472 /nfs/dbraw/zinc/45/64/72/428456472.db2.gz KGGRFXGSAJTELU-SFHVURJKSA-N 1 3 317.477 2.718 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1F)NC[C@H]1CC[NH2+]C1 ZINC000414918402 428456529 /nfs/dbraw/zinc/45/65/29/428456529.db2.gz UDENQJNBCWEXBJ-MNOVXSKESA-N 1 3 315.230 2.718 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000414800137 428415345 /nfs/dbraw/zinc/41/53/45/428415345.db2.gz RVAHKBRZLIRYGM-JSGCOSHPSA-N 1 3 310.825 2.718 20 0 DFADHO c1ccc(N2CCC([NH2+]CCNC3CCCCCC3)CC2)nc1 ZINC000414797586 428416891 /nfs/dbraw/zinc/41/68/91/428416891.db2.gz BHIANMLQSDGPTL-UHFFFAOYSA-N 1 3 316.493 2.952 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H](C[NH3+])C1CC1 ZINC000414812026 428418336 /nfs/dbraw/zinc/41/83/36/428418336.db2.gz OYEPEBJHZVMIHE-NHYWBVRUSA-N 1 3 309.841 2.692 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])C2CC2)cc1Cl ZINC000414812198 428418513 /nfs/dbraw/zinc/41/85/13/428418513.db2.gz XCGNQIKUHWTRGU-NHYWBVRUSA-N 1 3 309.841 2.692 20 0 DFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000347045959 428422643 /nfs/dbraw/zinc/42/26/43/428422643.db2.gz GTVPQSVSPMSTRP-NXHRZFHOSA-N 1 3 322.880 2.660 20 0 DFADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000347045959 428422647 /nfs/dbraw/zinc/42/26/47/428422647.db2.gz GTVPQSVSPMSTRP-NXHRZFHOSA-N 1 3 322.880 2.660 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000347045959 428422653 /nfs/dbraw/zinc/42/26/53/428422653.db2.gz GTVPQSVSPMSTRP-NXHRZFHOSA-N 1 3 322.880 2.660 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000347045959 428422657 /nfs/dbraw/zinc/42/26/57/428422657.db2.gz GTVPQSVSPMSTRP-NXHRZFHOSA-N 1 3 322.880 2.660 20 0 DFADHO C[C@@H]([NH3+])CCN[C@H](C)Cc1ccc(Br)cc1F ZINC000414825184 428423877 /nfs/dbraw/zinc/42/38/77/428423877.db2.gz SBWZKOILDDPERT-NXEZZACHSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@@H](N)CC[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000414825184 428423879 /nfs/dbraw/zinc/42/38/79/428423879.db2.gz SBWZKOILDDPERT-NXEZZACHSA-N 1 3 303.219 2.846 20 0 DFADHO CN(C[C@@H](O)Cc1cccc(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000347048031 428424391 /nfs/dbraw/zinc/42/43/91/428424391.db2.gz HRWRFZGNRXRIAQ-WBVHZDCISA-N 1 3 310.869 2.517 20 0 DFADHO CN(C[C@@H](O)Cc1cccc(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000347048031 428424396 /nfs/dbraw/zinc/42/43/96/428424396.db2.gz HRWRFZGNRXRIAQ-WBVHZDCISA-N 1 3 310.869 2.517 20 0 DFADHO C[C@H]([NH3+])CCNCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414826472 428425407 /nfs/dbraw/zinc/42/54/07/428425407.db2.gz VZUXVTFARKHLDW-JTQLQIEISA-N 1 3 312.339 2.922 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)N[C@@H](C[NH3+])CC(C)C ZINC000414835781 428426526 /nfs/dbraw/zinc/42/65/26/428426526.db2.gz HUQLEIGGZSDTSW-GDBMZVCRSA-N 1 3 305.466 2.929 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC1(N)CCCCC1 ZINC000414836077 428427585 /nfs/dbraw/zinc/42/75/85/428427585.db2.gz FFVRBIBZXDSHKM-CYBMUJFWSA-N 1 3 307.413 2.794 20 0 DFADHO [NH3+]C1(CNC2CCN(CCC(F)(F)F)CC2)CCCCC1 ZINC000414850543 428431974 /nfs/dbraw/zinc/43/19/74/428431974.db2.gz ZJKKNMYIDQZRHI-UHFFFAOYSA-N 1 3 307.404 2.654 20 0 DFADHO NC1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CCCCC1 ZINC000414850543 428431979 /nfs/dbraw/zinc/43/19/79/428431979.db2.gz ZJKKNMYIDQZRHI-UHFFFAOYSA-N 1 3 307.404 2.654 20 0 DFADHO Cn1c(CNCCC[C@@H]2CCC[NH2+]2)nc2ccc(Cl)cc21 ZINC000414980447 428479686 /nfs/dbraw/zinc/47/96/86/428479686.db2.gz WYEJGEXQDNTMAK-CYBMUJFWSA-N 1 3 306.841 2.849 20 0 DFADHO CN1CC=C(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000392196588 428481708 /nfs/dbraw/zinc/48/17/08/428481708.db2.gz DGQUMGAMOOATEW-JKSUJKDBSA-N 1 3 323.481 2.674 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCCOC3)CC2)C[C@H](C)O1 ZINC000342922423 428489476 /nfs/dbraw/zinc/48/94/76/428489476.db2.gz WHDFEYCMHUOQJQ-SCTDSRPQSA-N 1 3 324.509 2.624 20 0 DFADHO c1ccc(C2CCC(CNC[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000415031365 428492570 /nfs/dbraw/zinc/49/25/70/428492570.db2.gz DVXBFUNUQFBIKA-NKELODKYSA-N 1 3 302.462 2.929 20 0 DFADHO CC(=O)Nc1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415036700 428495059 /nfs/dbraw/zinc/49/50/59/428495059.db2.gz GCNRHWRLTDZIAS-WMZOPIPTSA-N 1 3 301.434 2.609 20 0 DFADHO Clc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CNCCCO2)cc1 ZINC000415037308 428496181 /nfs/dbraw/zinc/49/61/81/428496181.db2.gz KWMZGITXGWYXME-YESZJQIVSA-N 1 3 308.853 2.944 20 0 DFADHO Clc1ccc([C@@H]2CCC[C@H]2NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415037308 428496186 /nfs/dbraw/zinc/49/61/86/428496186.db2.gz KWMZGITXGWYXME-YESZJQIVSA-N 1 3 308.853 2.944 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000353357614 428500871 /nfs/dbraw/zinc/50/08/71/428500871.db2.gz WJKGRJTUDLZRBE-HOTGVXAUSA-N 1 3 310.482 2.962 20 0 DFADHO CC[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000353357614 428500878 /nfs/dbraw/zinc/50/08/78/428500878.db2.gz WJKGRJTUDLZRBE-HOTGVXAUSA-N 1 3 310.482 2.962 20 0 DFADHO CC[C@H](NCCC[N@H+]1CCCC[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000353357614 428500883 /nfs/dbraw/zinc/50/08/83/428500883.db2.gz WJKGRJTUDLZRBE-HOTGVXAUSA-N 1 3 310.482 2.962 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415058339 428503105 /nfs/dbraw/zinc/50/31/05/428503105.db2.gz VMTDPMRKNIXEDK-ZTFGCOKTSA-N 1 3 308.441 2.690 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415058339 428503113 /nfs/dbraw/zinc/50/31/13/428503113.db2.gz VMTDPMRKNIXEDK-ZTFGCOKTSA-N 1 3 308.441 2.690 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058339 428503117 /nfs/dbraw/zinc/50/31/17/428503117.db2.gz VMTDPMRKNIXEDK-ZTFGCOKTSA-N 1 3 308.441 2.690 20 0 DFADHO COCC[C@@H](Cc1cccc(F)c1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415058337 428503315 /nfs/dbraw/zinc/50/33/15/428503315.db2.gz VMTDPMRKNIXEDK-FHLIZLRMSA-N 1 3 308.441 2.690 20 0 DFADHO COCC[C@@H](Cc1cccc(F)c1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415058337 428503320 /nfs/dbraw/zinc/50/33/20/428503320.db2.gz VMTDPMRKNIXEDK-FHLIZLRMSA-N 1 3 308.441 2.690 20 0 DFADHO COCC[C@@H](Cc1cccc(F)c1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058337 428503324 /nfs/dbraw/zinc/50/33/24/428503324.db2.gz VMTDPMRKNIXEDK-FHLIZLRMSA-N 1 3 308.441 2.690 20 0 DFADHO COc1cccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000415066249 428507848 /nfs/dbraw/zinc/50/78/48/428507848.db2.gz OGFKHZJAIJXMBR-DYVFJYSZSA-N 1 3 319.449 2.519 20 0 DFADHO CCc1noc(-c2ccc(CCNC[C@@H]([NH3+])CC(C)C)cc2)n1 ZINC000415073185 428509121 /nfs/dbraw/zinc/50/91/21/428509121.db2.gz AQMMJSKBYNBOHH-INIZCTEOSA-N 1 3 316.449 2.805 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C1CCCC1 ZINC000415071246 428509313 /nfs/dbraw/zinc/50/93/13/428509313.db2.gz WHMRLTMEROEIEZ-PBHICJAKSA-N 1 3 303.450 2.819 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NCCC[NH2+]C2CC2)c1C ZINC000415069527 428509544 /nfs/dbraw/zinc/50/95/44/428509544.db2.gz OUUVDTPRYPERRU-AWEZNQCLSA-N 1 3 303.450 2.752 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCNC2CC2)c1C ZINC000415069527 428509550 /nfs/dbraw/zinc/50/95/50/428509550.db2.gz OUUVDTPRYPERRU-AWEZNQCLSA-N 1 3 303.450 2.752 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+]C[C@H]2CCCNC2)cc1OC ZINC000415078467 428511938 /nfs/dbraw/zinc/51/19/38/428511938.db2.gz IPTAYNANUZAJLR-AWEZNQCLSA-N 1 3 306.450 2.571 20 0 DFADHO COc1ccc(C(C)(C)CNC[C@H]2CCC[NH2+]C2)cc1OC ZINC000415078467 428511943 /nfs/dbraw/zinc/51/19/43/428511943.db2.gz IPTAYNANUZAJLR-AWEZNQCLSA-N 1 3 306.450 2.571 20 0 DFADHO COc1ccc([C@@H](CNCC(C)(C)[NH3+])N2CCCCC2)cc1 ZINC000415085636 428516572 /nfs/dbraw/zinc/51/65/72/428516572.db2.gz QMLKDOPRWBRMCC-QGZVFWFLSA-N 1 3 305.466 2.549 20 0 DFADHO COc1ccc([C@@H](C[NH2+]CC(C)(C)N)N2CCCCC2)cc1 ZINC000415085636 428516574 /nfs/dbraw/zinc/51/65/74/428516574.db2.gz QMLKDOPRWBRMCC-QGZVFWFLSA-N 1 3 305.466 2.549 20 0 DFADHO CC(C)C[C@@H](N[C@H](C)c1ccc(F)cc1)C(=O)NCC[NH+](C)C ZINC000347259207 428516634 /nfs/dbraw/zinc/51/66/34/428516634.db2.gz YIERGCSGNNTZMB-RHSMWYFYSA-N 1 3 323.456 2.569 20 0 DFADHO COCc1cccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415106137 428522056 /nfs/dbraw/zinc/52/20/56/428522056.db2.gz JHNYPJZFNPJOGT-RBUKOAKNSA-N 1 3 318.461 2.551 20 0 DFADHO Fc1ccc(CN2CCC([NH2+]C[C@@H]3CCCNC3)CC2)cc1F ZINC000415107970 428522745 /nfs/dbraw/zinc/52/27/45/428522745.db2.gz OJECQEAPTLPXML-OAHLLOKOSA-N 1 3 323.431 2.518 20 0 DFADHO CCN1CCN(c2cccc(NC[C@@H]3CC[NH2+][C@@H](C)C3)c2)CC1 ZINC000415116171 428527003 /nfs/dbraw/zinc/52/70/03/428527003.db2.gz ZFEWNCKDTGKJBB-DLBZAZTESA-N 1 3 316.493 2.629 20 0 DFADHO CCCc1cccc(C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000373457840 428582020 /nfs/dbraw/zinc/58/20/20/428582020.db2.gz BJMJXFDPZNKWJH-LJQANCHMSA-N 1 3 315.505 2.897 20 0 DFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CCC12CCC2 ZINC000343937089 428594923 /nfs/dbraw/zinc/59/49/23/428594923.db2.gz PPAIGPXYJUNHEV-QGZVFWFLSA-N 1 3 303.450 2.834 20 0 DFADHO CN(CCCN(C)Cc1ccco1)CCC[NH+]1CCCCC1 ZINC000353541130 428586255 /nfs/dbraw/zinc/58/62/55/428586255.db2.gz HEJBFPSWCMRVQD-UHFFFAOYSA-N 1 3 307.482 2.909 20 0 DFADHO CN(CCC[N@H+](C)CCCN1CCCCC1)Cc1ccco1 ZINC000353541130 428586261 /nfs/dbraw/zinc/58/62/61/428586261.db2.gz HEJBFPSWCMRVQD-UHFFFAOYSA-N 1 3 307.482 2.909 20 0 DFADHO CN(CCC[N@@H+](C)CCCN1CCCCC1)Cc1ccco1 ZINC000353541130 428586264 /nfs/dbraw/zinc/58/62/64/428586264.db2.gz HEJBFPSWCMRVQD-UHFFFAOYSA-N 1 3 307.482 2.909 20 0 DFADHO CN(CCCN(C)Cc1ccco1)CC[C@@H]1CCCC[N@@H+]1C ZINC000353545151 428587011 /nfs/dbraw/zinc/58/70/11/428587011.db2.gz RGGDMLIXGRFUCI-KRWDZBQOSA-N 1 3 307.482 2.908 20 0 DFADHO CN(CCCN(C)Cc1ccco1)CC[C@@H]1CCCC[N@H+]1C ZINC000353545151 428587014 /nfs/dbraw/zinc/58/70/14/428587014.db2.gz RGGDMLIXGRFUCI-KRWDZBQOSA-N 1 3 307.482 2.908 20 0 DFADHO CN(CCC[N@H+](C)CC[C@@H]1CCCCN1C)Cc1ccco1 ZINC000353545151 428587016 /nfs/dbraw/zinc/58/70/16/428587016.db2.gz RGGDMLIXGRFUCI-KRWDZBQOSA-N 1 3 307.482 2.908 20 0 DFADHO CN(CCC[N@@H+](C)CC[C@@H]1CCCCN1C)Cc1ccco1 ZINC000353545151 428587023 /nfs/dbraw/zinc/58/70/23/428587023.db2.gz RGGDMLIXGRFUCI-KRWDZBQOSA-N 1 3 307.482 2.908 20 0 DFADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](N)C(C)(C)C)[C@H]1c1cccs1 ZINC000361718245 428591326 /nfs/dbraw/zinc/59/13/26/428591326.db2.gz MEFNSMFZCGSMIG-VHDGCEQUSA-N 1 3 323.506 2.621 20 0 DFADHO C[N@H+]1CCC[C@H](CNC(=O)[C@@H](N)C(C)(C)C)[C@H]1c1cccs1 ZINC000361718245 428591332 /nfs/dbraw/zinc/59/13/32/428591332.db2.gz MEFNSMFZCGSMIG-VHDGCEQUSA-N 1 3 323.506 2.621 20 0 DFADHO COCc1cccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415131668 428532444 /nfs/dbraw/zinc/53/24/44/428532444.db2.gz ZXNCIQWOMMNPCY-RTBURBONSA-N 1 3 318.461 2.551 20 0 DFADHO COc1ccc(C)cc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415129619 428532813 /nfs/dbraw/zinc/53/28/13/428532813.db2.gz VMMHBHQIVCVORP-IEBWSBKVSA-N 1 3 318.461 2.722 20 0 DFADHO NCc1cn([C@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)nn1 ZINC000415130692 428533227 /nfs/dbraw/zinc/53/32/27/428533227.db2.gz RKDUWHYYOCVETM-SFHVURJKSA-N 1 3 321.428 2.727 20 0 DFADHO NCc1cn([C@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)nn1 ZINC000415130692 428533234 /nfs/dbraw/zinc/53/32/34/428533234.db2.gz RKDUWHYYOCVETM-SFHVURJKSA-N 1 3 321.428 2.727 20 0 DFADHO [NH3+]CC1(O)CCN(Cc2cc(-c3ccccc3)cs2)CC1 ZINC000415135282 428534216 /nfs/dbraw/zinc/53/42/16/428534216.db2.gz AUKONXKSCAOMPC-UHFFFAOYSA-N 1 3 302.443 2.701 20 0 DFADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(=O)[nH]n1 ZINC000353439212 428536587 /nfs/dbraw/zinc/53/65/87/428536587.db2.gz IFWIYRYNNKXWKM-KFWWJZLASA-N 1 3 306.454 2.591 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H]2CCC[C@H]21 ZINC000353439349 428537124 /nfs/dbraw/zinc/53/71/24/428537124.db2.gz WRSLWCZLDRNOTQ-HSALFYBXSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)[C@H]2CCC[C@H]21 ZINC000353439349 428537131 /nfs/dbraw/zinc/53/71/31/428537131.db2.gz WRSLWCZLDRNOTQ-HSALFYBXSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)[C@H]2CCC[C@H]21 ZINC000353439349 428537138 /nfs/dbraw/zinc/53/71/38/428537138.db2.gz WRSLWCZLDRNOTQ-HSALFYBXSA-N 1 3 324.472 2.894 20 0 DFADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(=O)[nH]n1 ZINC000353439213 428537668 /nfs/dbraw/zinc/53/76/68/428537668.db2.gz IFWIYRYNNKXWKM-QLFBSQMISA-N 1 3 306.454 2.591 20 0 DFADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(=O)[nH]n1 ZINC000353439213 428537675 /nfs/dbraw/zinc/53/76/75/428537675.db2.gz IFWIYRYNNKXWKM-QLFBSQMISA-N 1 3 306.454 2.591 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c1ccccc1 ZINC000399403685 428540482 /nfs/dbraw/zinc/54/04/82/428540482.db2.gz XDGPPGXFYNQQGK-CGTJXYLNSA-N 1 3 319.493 2.805 20 0 DFADHO COCCOc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353451520 428541600 /nfs/dbraw/zinc/54/16/00/428541600.db2.gz AEHZIOKUICFJSP-GUDVDZBRSA-N 1 3 318.461 2.674 20 0 DFADHO COCCOc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353451520 428541602 /nfs/dbraw/zinc/54/16/02/428541602.db2.gz AEHZIOKUICFJSP-GUDVDZBRSA-N 1 3 318.461 2.674 20 0 DFADHO COCCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000353451520 428541607 /nfs/dbraw/zinc/54/16/07/428541607.db2.gz AEHZIOKUICFJSP-GUDVDZBRSA-N 1 3 318.461 2.674 20 0 DFADHO C[C@H](NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400327727 428543754 /nfs/dbraw/zinc/54/37/54/428543754.db2.gz CTKXVWOWMXOVQS-UHOSZYNNSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)CN1CCCC1 ZINC000353456322 428546006 /nfs/dbraw/zinc/54/60/06/428546006.db2.gz VIXWVUUJFQCUMN-HOTGVXAUSA-N 1 3 313.449 2.650 20 0 DFADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400449040 428546420 /nfs/dbraw/zinc/54/64/20/428546420.db2.gz OFKKIHMHFFMLPG-ZBFHGGJFSA-N 1 3 323.481 2.626 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN([C@H]2C[C@H]2c2ccccc2)C1 ZINC000361310530 428555404 /nfs/dbraw/zinc/55/54/04/428555404.db2.gz TUZLURCSAPJHPC-QYZOEREBSA-N 1 3 302.462 2.975 20 0 DFADHO C[N@@H+]1CC[C@H](NCCN2CCc3sccc3C2)[C@H]2CCC[C@H]21 ZINC000353501040 428567365 /nfs/dbraw/zinc/56/73/65/428567365.db2.gz HQHBDYYSQVWNPJ-IXDOHACOSA-N 1 3 319.518 2.569 20 0 DFADHO C[N@H+]1CC[C@H](NCCN2CCc3sccc3C2)[C@H]2CCC[C@H]21 ZINC000353501040 428567369 /nfs/dbraw/zinc/56/73/69/428567369.db2.gz HQHBDYYSQVWNPJ-IXDOHACOSA-N 1 3 319.518 2.569 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)N(C)Cc1ccccc1 ZINC000353518009 428572654 /nfs/dbraw/zinc/57/26/54/428572654.db2.gz KAUQKPVGJZXJIS-AFYVEPGGSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)N(C)Cc1ccccc1 ZINC000353518009 428572656 /nfs/dbraw/zinc/57/26/56/428572656.db2.gz KAUQKPVGJZXJIS-AFYVEPGGSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)N(C)Cc1ccccc1 ZINC000353518009 428572659 /nfs/dbraw/zinc/57/26/59/428572659.db2.gz KAUQKPVGJZXJIS-AFYVEPGGSA-N 1 3 315.505 2.969 20 0 DFADHO CC(C)n1ncc2c1C[C@H](N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000358018497 428577729 /nfs/dbraw/zinc/57/77/29/428577729.db2.gz AWJMHFUEKGCHGY-IXDOHACOSA-N 1 3 302.466 2.538 20 0 DFADHO CC(C)n1ncc2c1C[C@H](N[C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000358018497 428577735 /nfs/dbraw/zinc/57/77/35/428577735.db2.gz AWJMHFUEKGCHGY-IXDOHACOSA-N 1 3 302.466 2.538 20 0 DFADHO Cc1cc(C)n(-c2ccccc2CN[C@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000361985354 428608779 /nfs/dbraw/zinc/60/87/79/428608779.db2.gz YJAGOPNRRAPJHQ-KDOFPFPSSA-N 1 3 312.461 2.919 20 0 DFADHO Cc1cc(C)n(-c2ccccc2CN[C@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000361985354 428608787 /nfs/dbraw/zinc/60/87/87/428608787.db2.gz YJAGOPNRRAPJHQ-KDOFPFPSSA-N 1 3 312.461 2.919 20 0 DFADHO C[C@H](c1ccc(F)cc1F)N(C)CCCN(C)CC[NH+](C)C ZINC000344041504 428618880 /nfs/dbraw/zinc/61/88/80/428618880.db2.gz VYUHZQNDINCSFN-CQSZACIVSA-N 1 3 313.436 2.841 20 0 DFADHO CNCc1ccccc1NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000415909311 428622777 /nfs/dbraw/zinc/62/27/77/428622777.db2.gz FPSOWSXZSQDUIC-OAHLLOKOSA-N 1 3 318.465 2.505 20 0 DFADHO CNCc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000415909311 428622781 /nfs/dbraw/zinc/62/27/81/428622781.db2.gz FPSOWSXZSQDUIC-OAHLLOKOSA-N 1 3 318.465 2.505 20 0 DFADHO CO[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353631565 428630839 /nfs/dbraw/zinc/63/08/39/428630839.db2.gz LYBDKPMRRITBNP-BSDSXHPESA-N 1 3 306.425 2.976 20 0 DFADHO CO[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353631565 428630842 /nfs/dbraw/zinc/63/08/42/428630842.db2.gz LYBDKPMRRITBNP-BSDSXHPESA-N 1 3 306.425 2.976 20 0 DFADHO C[C@@H]1CC[C@H](C[N@@H+](C)CC2CCN(c3ccncc3)CC2)O1 ZINC000373699291 428636512 /nfs/dbraw/zinc/63/65/12/428636512.db2.gz IBANVXDHUBJGFH-CRAIPNDOSA-N 1 3 303.450 2.797 20 0 DFADHO CN1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccccc1 ZINC000415965257 428637331 /nfs/dbraw/zinc/63/73/31/428637331.db2.gz XTASWUGMLMZVLH-ROUUACIJSA-N 1 3 324.428 2.712 20 0 DFADHO COCC[C@H](COC)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000353649779 428638906 /nfs/dbraw/zinc/63/89/06/428638906.db2.gz ORFOPARTUMYOND-JQHSSLGASA-N 1 3 312.498 2.671 20 0 DFADHO CCC(CC)[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)[NH+](C)C ZINC000415994845 428643728 /nfs/dbraw/zinc/64/37/28/428643728.db2.gz IXTWDHXJKVYVSY-KRWDZBQOSA-N 1 3 318.465 2.778 20 0 DFADHO CN(C)Cc1ccc(CNC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000415953963 428635319 /nfs/dbraw/zinc/63/53/19/428635319.db2.gz HVWVFRGEPXFVRW-UHFFFAOYSA-N 1 3 312.417 2.529 20 0 DFADHO C[C@H]1CC[C@H](C[N@H+](C)CC2CCN(c3ccncc3)CC2)O1 ZINC000373699292 428636238 /nfs/dbraw/zinc/63/62/38/428636238.db2.gz IBANVXDHUBJGFH-MAUKXSAKSA-N 1 3 303.450 2.797 20 0 DFADHO C[C@H]1CC[C@H](C[N@@H+](C)CC2CCN(c3ccncc3)CC2)O1 ZINC000373699292 428636243 /nfs/dbraw/zinc/63/62/43/428636243.db2.gz IBANVXDHUBJGFH-MAUKXSAKSA-N 1 3 303.450 2.797 20 0 DFADHO C[C@@H]1CC[C@H](C[N@H+](C)CC2CCN(c3ccncc3)CC2)O1 ZINC000373699291 428636504 /nfs/dbraw/zinc/63/65/04/428636504.db2.gz IBANVXDHUBJGFH-CRAIPNDOSA-N 1 3 303.450 2.797 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)C[C@@H]1C ZINC000416000284 428647496 /nfs/dbraw/zinc/64/74/96/428647496.db2.gz WQZPERYIIFWAAT-SUMWQHHRSA-N 1 3 316.449 2.626 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)C[C@@H]1C ZINC000416000284 428647507 /nfs/dbraw/zinc/64/75/07/428647507.db2.gz WQZPERYIIFWAAT-SUMWQHHRSA-N 1 3 316.449 2.626 20 0 DFADHO CC(C)C[C@@H](C)N(C)C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074140 428661774 /nfs/dbraw/zinc/66/17/74/428661774.db2.gz IFDJPMQIPDLWIU-QGZVFWFLSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCCOc1ccccc1 ZINC000362219010 428663080 /nfs/dbraw/zinc/66/30/80/428663080.db2.gz JVRZVOGQWOYAOZ-BHIYHBOVSA-N 1 3 318.461 2.544 20 0 DFADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCCOc1ccccc1 ZINC000362219010 428663083 /nfs/dbraw/zinc/66/30/83/428663083.db2.gz JVRZVOGQWOYAOZ-BHIYHBOVSA-N 1 3 318.461 2.544 20 0 DFADHO CCC[NH+]1CCC(NC[C@@H](CO)c2ccccc2Cl)CC1 ZINC000348321251 428706740 /nfs/dbraw/zinc/70/67/40/428706740.db2.gz MNWZSWXVUWWEEB-AWEZNQCLSA-N 1 3 310.869 2.880 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](CO)c1ccccc1Cl ZINC000348383609 428728557 /nfs/dbraw/zinc/72/85/57/428728557.db2.gz DPDBMTQPTKYBLP-WBOJAVRRSA-N 1 3 310.869 2.734 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](CO)c1ccccc1Cl ZINC000348383609 428728561 /nfs/dbraw/zinc/72/85/61/428728561.db2.gz DPDBMTQPTKYBLP-WBOJAVRRSA-N 1 3 310.869 2.734 20 0 DFADHO CC1(C)CC(NC(=O)C2CN(C3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000411213091 428759513 /nfs/dbraw/zinc/75/95/13/428759513.db2.gz LYLYEVHEQRPJAF-UHFFFAOYSA-N 1 3 321.509 2.676 20 0 DFADHO C[NH+](C)C(C)(C)CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411255997 428766341 /nfs/dbraw/zinc/76/63/41/428766341.db2.gz HNRHXEOWYOXIGS-UHFFFAOYSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@H]1CN(C)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411258746 428767619 /nfs/dbraw/zinc/76/76/19/428767619.db2.gz MGHITEHKYCIKTE-QGZVFWFLSA-N 1 3 301.478 2.808 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cccc(C)n2)[C@H](C)C1 ZINC000359018770 428775244 /nfs/dbraw/zinc/77/52/44/428775244.db2.gz YZPOWTDHMRXMJV-VQIMIIECSA-N 1 3 319.493 2.659 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cccc(C)n2)[C@H](C)C1 ZINC000359018770 428775249 /nfs/dbraw/zinc/77/52/49/428775249.db2.gz YZPOWTDHMRXMJV-VQIMIIECSA-N 1 3 319.493 2.659 20 0 DFADHO CC(C)SCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000374907234 428780756 /nfs/dbraw/zinc/78/07/56/428780756.db2.gz DEIKXKWRLCAPOD-UHFFFAOYSA-N 1 3 313.555 2.618 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)ccn1 ZINC000348423502 428740703 /nfs/dbraw/zinc/74/07/03/428740703.db2.gz VGGNSEQBQOHDNH-HOTGVXAUSA-N 1 3 305.466 2.936 20 0 DFADHO CC[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N(CC)CC ZINC000348418469 428741484 /nfs/dbraw/zinc/74/14/84/428741484.db2.gz VCUSTHGKPWPUAR-DLBZAZTESA-N 1 3 309.498 2.584 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411407315 428792192 /nfs/dbraw/zinc/79/21/92/428792192.db2.gz IPNTUYGNGOTQKC-RBUKOAKNSA-N 1 3 319.468 2.639 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411407315 428792199 /nfs/dbraw/zinc/79/21/99/428792199.db2.gz IPNTUYGNGOTQKC-RBUKOAKNSA-N 1 3 319.468 2.639 20 0 DFADHO OC[C@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411145615 428744464 /nfs/dbraw/zinc/74/44/64/428744464.db2.gz CMCYOVKBBQPKRW-IBGZPJMESA-N 1 3 302.462 2.877 20 0 DFADHO C[C@H](N[C@@H](CO)CC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348443526 428745782 /nfs/dbraw/zinc/74/57/82/428745782.db2.gz XNUXENYAVZGKSU-NUEKZKHPSA-N 1 3 312.404 2.503 20 0 DFADHO C[C@H](N[C@@H](CO)CC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348443526 428745788 /nfs/dbraw/zinc/74/57/88/428745788.db2.gz XNUXENYAVZGKSU-NUEKZKHPSA-N 1 3 312.404 2.503 20 0 DFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)N(CC)CC ZINC000345198836 428796999 /nfs/dbraw/zinc/79/69/99/428796999.db2.gz BGEHPKYAUZARKO-SJORKVTESA-N 1 3 311.514 2.878 20 0 DFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)N(CC)CC ZINC000345198836 428797004 /nfs/dbraw/zinc/79/70/04/428797004.db2.gz BGEHPKYAUZARKO-SJORKVTESA-N 1 3 311.514 2.878 20 0 DFADHO C[C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1O ZINC000411438917 428798059 /nfs/dbraw/zinc/79/80/59/428798059.db2.gz CYNYWVRFNRZODA-APWZRJJASA-N 1 3 302.462 2.875 20 0 DFADHO O[C@@H]1CC[C@H]2C[N@H+](Cc3cccc(CN4CCCCC4)c3)C[C@H]12 ZINC000411499585 428805640 /nfs/dbraw/zinc/80/56/40/428805640.db2.gz DERRIAIANLXDQK-SLFFLAALSA-N 1 3 314.473 2.875 20 0 DFADHO O[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(CN4CCCCC4)c3)C[C@H]12 ZINC000411499585 428805643 /nfs/dbraw/zinc/80/56/43/428805643.db2.gz DERRIAIANLXDQK-SLFFLAALSA-N 1 3 314.473 2.875 20 0 DFADHO CCCNC(=O)CCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000411518628 428810659 /nfs/dbraw/zinc/81/06/59/428810659.db2.gz PVVSJTFJHNAMLV-CVEARBPZSA-N 1 3 309.498 2.535 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000411516167 428811074 /nfs/dbraw/zinc/81/10/74/428811074.db2.gz JHNOQWDSPVOFFM-JKSUJKDBSA-N 1 3 323.525 2.781 20 0 DFADHO C[C@H](NCCC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411515677 428811909 /nfs/dbraw/zinc/81/19/09/428811909.db2.gz IGFCAYXGLBPHAQ-GJZGRUSLSA-N 1 3 310.482 2.961 20 0 DFADHO C[C@H](NCCC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411515677 428811911 /nfs/dbraw/zinc/81/19/11/428811911.db2.gz IGFCAYXGLBPHAQ-GJZGRUSLSA-N 1 3 310.482 2.961 20 0 DFADHO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000411515677 428811916 /nfs/dbraw/zinc/81/19/16/428811916.db2.gz IGFCAYXGLBPHAQ-GJZGRUSLSA-N 1 3 310.482 2.961 20 0 DFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000345251381 428816461 /nfs/dbraw/zinc/81/64/61/428816461.db2.gz QCGMRXPXLHLTJQ-BBWFWOEESA-N 1 3 309.498 2.630 20 0 DFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000345251381 428816465 /nfs/dbraw/zinc/81/64/65/428816465.db2.gz QCGMRXPXLHLTJQ-BBWFWOEESA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC[C@@H]1O ZINC000411568504 428818402 /nfs/dbraw/zinc/81/84/02/428818402.db2.gz LBKIJANSAYASSG-APWZRJJASA-N 1 3 302.462 2.875 20 0 DFADHO CO[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1OC ZINC000411628619 428827510 /nfs/dbraw/zinc/82/75/10/428827510.db2.gz WMBRIJLQKMKZQU-OALUTQOASA-N 1 3 318.461 2.518 20 0 DFADHO CCOC(=O)C1(C)CCC([NH2+]C[C@@H](C)CN2CCCC2)CC1 ZINC000354126781 428874732 /nfs/dbraw/zinc/87/47/32/428874732.db2.gz YNXFKRXXJTXAJH-KLHKWILBSA-N 1 3 310.482 2.820 20 0 DFADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000354135689 428880783 /nfs/dbraw/zinc/88/07/83/428880783.db2.gz ZNOKUIIFDQLUJC-XWTMOSNGSA-N 1 3 312.498 2.671 20 0 DFADHO COc1cc(C)c(CN2CCC(CC[NH+](C)C)CC2)c(C)n1 ZINC000359245463 428887098 /nfs/dbraw/zinc/88/70/98/428887098.db2.gz ZLXSIZCBWOORQR-UHFFFAOYSA-N 1 3 305.466 2.871 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000349034679 428904556 /nfs/dbraw/zinc/90/45/56/428904556.db2.gz FCOHKGKIJWVMFQ-UYAOXDASSA-N 1 3 315.505 2.748 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000349034679 428904563 /nfs/dbraw/zinc/90/45/63/428904563.db2.gz FCOHKGKIJWVMFQ-UYAOXDASSA-N 1 3 315.505 2.748 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1sc(C)nc1C ZINC000349035659 428904947 /nfs/dbraw/zinc/90/49/47/428904947.db2.gz LAHBTLMLJYHXNE-INIZCTEOSA-N 1 3 324.538 2.608 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1sc(C)nc1C ZINC000349035659 428904951 /nfs/dbraw/zinc/90/49/51/428904951.db2.gz LAHBTLMLJYHXNE-INIZCTEOSA-N 1 3 324.538 2.608 20 0 DFADHO CN(C)CCOCC[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000354203691 428913413 /nfs/dbraw/zinc/91/34/13/428913413.db2.gz JCMWPSIYVDBNDG-ZWKOTPCHSA-N 1 3 320.477 2.538 20 0 DFADHO CN(C/C=C\c1ccc(F)cc1)CCN(C)C1CC[NH+](C)CC1 ZINC000349081752 428916679 /nfs/dbraw/zinc/91/66/79/428916679.db2.gz VTWIROAUKPUADF-PLNGDYQASA-N 1 3 319.468 2.797 20 0 DFADHO COc1ccc([C@@H](O)[C@@H]2CCC[N@@H+]2CCCN2CCCC2)cc1 ZINC000363458699 428919821 /nfs/dbraw/zinc/91/98/21/428919821.db2.gz ACZWXJRZPHURQK-RBUKOAKNSA-N 1 3 318.461 2.679 20 0 DFADHO COc1ccc([C@@H](O)[C@@H]2CCC[N@H+]2CCCN2CCCC2)cc1 ZINC000363458699 428919825 /nfs/dbraw/zinc/91/98/25/428919825.db2.gz ACZWXJRZPHURQK-RBUKOAKNSA-N 1 3 318.461 2.679 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000354222009 428924373 /nfs/dbraw/zinc/92/43/73/428924373.db2.gz IGHKKKFCAOQOOX-WMLDXEAASA-N 1 3 321.440 2.959 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000354222009 428924376 /nfs/dbraw/zinc/92/43/76/428924376.db2.gz IGHKKKFCAOQOOX-WMLDXEAASA-N 1 3 321.440 2.959 20 0 DFADHO Cc1ccn2c(CN3CC[C@@H](C4CC[NH+](C)CC4)C3)cnc2c1 ZINC000349183358 428934265 /nfs/dbraw/zinc/93/42/65/428934265.db2.gz GNXNEFZMAXVRSY-QGZVFWFLSA-N 1 3 312.461 2.806 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000359373100 428944678 /nfs/dbraw/zinc/94/46/78/428944678.db2.gz UFDKIWBOUAEGSM-BHIYHBOVSA-N 1 3 301.478 2.753 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](c1ccccc1)N1CCCC1 ZINC000359373100 428944681 /nfs/dbraw/zinc/94/46/81/428944681.db2.gz UFDKIWBOUAEGSM-BHIYHBOVSA-N 1 3 301.478 2.753 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](c1ccccc1)N1CCCC1 ZINC000359373100 428944686 /nfs/dbraw/zinc/94/46/86/428944686.db2.gz UFDKIWBOUAEGSM-BHIYHBOVSA-N 1 3 301.478 2.753 20 0 DFADHO Cc1cc([C@H]([NH2+]C[C@@H](O)CN2CCCC2)C2CC2)ccc1F ZINC000359376087 428945307 /nfs/dbraw/zinc/94/53/07/428945307.db2.gz UCJNQIDNTGTPIT-SJLPKXTDSA-N 1 3 306.425 2.632 20 0 DFADHO Cc1ccc(CNCCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000363659963 428962234 /nfs/dbraw/zinc/96/22/34/428962234.db2.gz CQIHOFVPCWACSE-UHFFFAOYSA-N 1 3 319.493 2.874 20 0 DFADHO c1ccc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cncnc2)cc1 ZINC000423541403 428969703 /nfs/dbraw/zinc/96/97/03/428969703.db2.gz KUJPWXZSJDNPAK-RWQQGDIJSA-N 1 3 308.429 2.544 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)[C@H]1C ZINC000354327359 428970117 /nfs/dbraw/zinc/97/01/17/428970117.db2.gz GUTGRZGKNMFCRG-YVSFHVDLSA-N 1 3 310.482 2.674 20 0 DFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000433359692 429028327 /nfs/dbraw/zinc/02/83/27/429028327.db2.gz CWFAXQRUFSYDMT-KBAYOESNSA-N 1 3 321.509 2.773 20 0 DFADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000433376661 429030262 /nfs/dbraw/zinc/03/02/62/429030262.db2.gz JXSRCANCDIHOFD-ROUUACIJSA-N 1 3 321.509 2.726 20 0 DFADHO C[N@@H+]1CC[C@H](NCC2([C@H](O)c3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000375802909 428979721 /nfs/dbraw/zinc/97/97/21/428979721.db2.gz XTWQZWVKUIVAIL-CADBVGFASA-N 1 3 314.473 2.963 20 0 DFADHO C[N@H+]1CC[C@H](NCC2([C@H](O)c3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000375802909 428979730 /nfs/dbraw/zinc/97/97/30/428979730.db2.gz XTWQZWVKUIVAIL-CADBVGFASA-N 1 3 314.473 2.963 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3[C@@H]4CCCC[C@@H]4C3(C)C)C2)CC1 ZINC000363749433 428982038 /nfs/dbraw/zinc/98/20/38/428982038.db2.gz KYLBOIBQJILXNE-YSHGAJCASA-N 1 3 319.537 2.959 20 0 DFADHO CC(C)[C@@H](C(=O)Nc1cc(CN)cc(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000423624029 428985533 /nfs/dbraw/zinc/98/55/33/428985533.db2.gz PESXJAVSJBXRJU-TVQRCGJNSA-N 1 3 317.355 2.722 20 0 DFADHO Cc1ncccc1O[C@H]1CC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000375986176 429034235 /nfs/dbraw/zinc/03/42/35/429034235.db2.gz PGOWYDUZPCSRIN-IRXDYDNUSA-N 1 3 303.450 2.718 20 0 DFADHO Cc1ncccc1O[C@H]1CC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000375986176 429034241 /nfs/dbraw/zinc/03/42/41/429034241.db2.gz PGOWYDUZPCSRIN-IRXDYDNUSA-N 1 3 303.450 2.718 20 0 DFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCCN1C1CCCC1 ZINC000433231945 429013180 /nfs/dbraw/zinc/01/31/80/429013180.db2.gz ZJSOEZXPMWTYQU-FGTMMUONSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCCCN1C1CCCC1 ZINC000433231945 429013186 /nfs/dbraw/zinc/01/31/86/429013186.db2.gz ZJSOEZXPMWTYQU-FGTMMUONSA-N 1 3 319.493 2.527 20 0 DFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H](N)CC1CCCCC1 ZINC000423453231 429090752 /nfs/dbraw/zinc/09/07/52/429090752.db2.gz ZXQGOIOHRXUNOD-IRXDYDNUSA-N 1 3 309.498 2.617 20 0 DFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H](N)CC1CCCCC1 ZINC000423453231 429090756 /nfs/dbraw/zinc/09/07/56/429090756.db2.gz ZXQGOIOHRXUNOD-IRXDYDNUSA-N 1 3 309.498 2.617 20 0 DFADHO C[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000423476129 429095091 /nfs/dbraw/zinc/09/50/91/429095091.db2.gz QPYIJQZVOCOVAR-SIUPPRGNSA-N 1 3 306.425 2.676 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000423476129 429095094 /nfs/dbraw/zinc/09/50/94/429095094.db2.gz QPYIJQZVOCOVAR-SIUPPRGNSA-N 1 3 306.425 2.676 20 0 DFADHO CN(C[C@H]1CCCN(C)C1)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424140713 429097944 /nfs/dbraw/zinc/09/79/44/429097944.db2.gz WOOCOIGAWYIBFM-ZWKOTPCHSA-N 1 3 323.525 2.865 20 0 DFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccncc1Cl ZINC000421838282 429038126 /nfs/dbraw/zinc/03/81/26/429038126.db2.gz VFFKWOBFSXLQLX-KGLIPLIRSA-N 1 3 311.857 2.623 20 0 DFADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccncc1Cl ZINC000421838282 429038130 /nfs/dbraw/zinc/03/81/30/429038130.db2.gz VFFKWOBFSXLQLX-KGLIPLIRSA-N 1 3 311.857 2.623 20 0 DFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccncc1Cl ZINC000421838284 429038234 /nfs/dbraw/zinc/03/82/34/429038234.db2.gz VFFKWOBFSXLQLX-ZIAGYGMSSA-N 1 3 311.857 2.623 20 0 DFADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccncc1Cl ZINC000421838284 429038239 /nfs/dbraw/zinc/03/82/39/429038239.db2.gz VFFKWOBFSXLQLX-ZIAGYGMSSA-N 1 3 311.857 2.623 20 0 DFADHO COC1([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CCCC1 ZINC000421844936 429038896 /nfs/dbraw/zinc/03/88/96/429038896.db2.gz PCIKPIGVBQKPGS-ZACQAIPSSA-N 1 3 312.498 2.813 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](N)C(C)C)c2ccccc21 ZINC000423283756 429055603 /nfs/dbraw/zinc/05/56/03/429055603.db2.gz XNBVXJHIAAPEOS-IKGGRYGDSA-N 1 3 304.434 2.741 20 0 DFADHO COc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cc1NC(C)=O ZINC000423277535 429056335 /nfs/dbraw/zinc/05/63/35/429056335.db2.gz OJVWDKZIBYGVQG-VBNZEHGJSA-N 1 3 319.449 2.822 20 0 DFADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423311067 429060990 /nfs/dbraw/zinc/06/09/90/429060990.db2.gz BHIHDBRSGSIOQL-MOPGFXCFSA-N 1 3 311.429 2.701 20 0 DFADHO [NH3+]CCCCN[C@@H]1CCc2c1c(Br)ccc2F ZINC000423324003 429066125 /nfs/dbraw/zinc/06/61/25/429066125.db2.gz JVVAGFHQADIANM-GFCCVEGCSA-N 1 3 301.203 2.904 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)cc1OC ZINC000423367950 429073457 /nfs/dbraw/zinc/07/34/57/429073457.db2.gz AWMRPFBOTDVXQO-DZKIICNBSA-N 1 3 306.450 2.673 20 0 DFADHO COc1cc(C)c(C[C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000423367950 429073463 /nfs/dbraw/zinc/07/34/63/429073463.db2.gz AWMRPFBOTDVXQO-DZKIICNBSA-N 1 3 306.450 2.673 20 0 DFADHO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1CCCOC1 ZINC000423369276 429074264 /nfs/dbraw/zinc/07/42/64/429074264.db2.gz OASCIALIURPWCI-ADOMEBDSSA-N 1 3 324.415 2.815 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)c(C)c1OC ZINC000423374121 429076336 /nfs/dbraw/zinc/07/63/36/429076336.db2.gz HUHFQYBSPQATMD-DVOMOZLQSA-N 1 3 306.450 2.673 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)c(C)c1OC ZINC000423374121 429076339 /nfs/dbraw/zinc/07/63/39/429076339.db2.gz HUHFQYBSPQATMD-DVOMOZLQSA-N 1 3 306.450 2.673 20 0 DFADHO Cc1c([C@H](C)NCCC[C@@H]2CCC[NH2+]2)nnn1-c1ccccc1 ZINC000423481900 429097486 /nfs/dbraw/zinc/09/74/86/429097486.db2.gz OQYLMMGYIYYMPR-GOEBONIOSA-N 1 3 313.449 2.759 20 0 DFADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423413901 429082891 /nfs/dbraw/zinc/08/28/91/429082891.db2.gz BFJWZKXRAABQHE-TXCZRRACSA-N 1 3 308.853 2.536 20 0 DFADHO CC[C@H]1CCCCN1CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423415005 429084117 /nfs/dbraw/zinc/08/41/17/429084117.db2.gz CZHKRDBRMGZBFV-YOEHRIQHSA-N 1 3 303.450 2.701 20 0 DFADHO Cc1c([C@@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cnn1C(C)(C)C ZINC000423422629 429085622 /nfs/dbraw/zinc/08/56/22/429085622.db2.gz BRVRELZGAXYOJV-ISTRZQFTSA-N 1 3 304.482 2.985 20 0 DFADHO C[C@H](CCCC[NH3+])N[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000423438642 429088504 /nfs/dbraw/zinc/08/85/04/429088504.db2.gz ROJYXDNFLIYZBR-CXAGYDPISA-N 1 3 304.413 2.756 20 0 DFADHO CC(C)[N@H+](C)CCCN[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000494695853 429145788 /nfs/dbraw/zinc/14/57/88/429145788.db2.gz YOWXLGAMUFXRSD-CABCVRRESA-N 1 3 313.486 2.752 20 0 DFADHO CC(C)[N@@H+](C)CCCN[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000494695853 429145793 /nfs/dbraw/zinc/14/57/93/429145793.db2.gz YOWXLGAMUFXRSD-CABCVRRESA-N 1 3 313.486 2.752 20 0 DFADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000494695853 429145797 /nfs/dbraw/zinc/14/57/97/429145797.db2.gz YOWXLGAMUFXRSD-CABCVRRESA-N 1 3 313.486 2.752 20 0 DFADHO CCN(CCOCCOc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435627401 429155366 /nfs/dbraw/zinc/15/53/66/429155366.db2.gz NIAWMOQSCYSURK-KRWDZBQOSA-N 1 3 306.450 2.546 20 0 DFADHO CCN(CCC(=O)Nc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435626421 429155794 /nfs/dbraw/zinc/15/57/94/429155794.db2.gz OKERPFADDVFCRF-MRXNPFEDSA-N 1 3 307.413 2.618 20 0 DFADHO CC[N@H+](CCC(=O)Nc1cccc(F)c1)[C@@H]1CCCNCC1 ZINC000435626421 429155797 /nfs/dbraw/zinc/15/57/97/429155797.db2.gz OKERPFADDVFCRF-MRXNPFEDSA-N 1 3 307.413 2.618 20 0 DFADHO CC[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@@H]1CCCNCC1 ZINC000435626421 429155800 /nfs/dbraw/zinc/15/58/00/429155800.db2.gz OKERPFADDVFCRF-MRXNPFEDSA-N 1 3 307.413 2.618 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CNCCCO1)C1(c2ccccc2)CCCC1 ZINC000423494903 429099046 /nfs/dbraw/zinc/09/90/46/429099046.db2.gz SQPTWOOPTALBOT-SJLPKXTDSA-N 1 3 302.462 2.855 20 0 DFADHO C[C@@H](NC[C@H]1C[NH2+]CCCO1)C1(c2ccccc2)CCCC1 ZINC000423494903 429099049 /nfs/dbraw/zinc/09/90/49/429099049.db2.gz SQPTWOOPTALBOT-SJLPKXTDSA-N 1 3 302.462 2.855 20 0 DFADHO COc1cc(C)c([C@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423504655 429100682 /nfs/dbraw/zinc/10/06/82/429100682.db2.gz GBRBWDJFGXXBCJ-QWQRMKEZSA-N 1 3 306.450 2.990 20 0 DFADHO COc1cc(C)c([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1OC ZINC000423504655 429100685 /nfs/dbraw/zinc/10/06/85/429100685.db2.gz GBRBWDJFGXXBCJ-QWQRMKEZSA-N 1 3 306.450 2.990 20 0 DFADHO COc1cc(C)c([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1OC ZINC000423504655 429100688 /nfs/dbraw/zinc/10/06/88/429100688.db2.gz GBRBWDJFGXXBCJ-QWQRMKEZSA-N 1 3 306.450 2.990 20 0 DFADHO C[C@@H]1C[N@@H+]([C@H]2CCN(Cc3ccccc3)C[C@H]2C)C[C@@]1(C)CN ZINC000423505577 429101967 /nfs/dbraw/zinc/10/19/67/429101967.db2.gz HEENHOVCFVAKTQ-IZBJGVDFSA-N 1 3 315.505 2.814 20 0 DFADHO C[C@@H]1C[N@H+]([C@H]2CCN(Cc3ccccc3)C[C@H]2C)C[C@@]1(C)CN ZINC000423505577 429101970 /nfs/dbraw/zinc/10/19/70/429101970.db2.gz HEENHOVCFVAKTQ-IZBJGVDFSA-N 1 3 315.505 2.814 20 0 DFADHO CCc1ccccc1[C@H](N)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000423515953 429106594 /nfs/dbraw/zinc/10/65/94/429106594.db2.gz XRJADEZHRVPQJV-YSGRDPCXSA-N 1 3 311.473 2.797 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000434690259 429107674 /nfs/dbraw/zinc/10/76/74/429107674.db2.gz FSIZUVNZURPDCC-QGZVFWFLSA-N 1 3 316.493 2.883 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000434690259 429107675 /nfs/dbraw/zinc/10/76/75/429107675.db2.gz FSIZUVNZURPDCC-QGZVFWFLSA-N 1 3 316.493 2.883 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434690259 429107678 /nfs/dbraw/zinc/10/76/78/429107678.db2.gz FSIZUVNZURPDCC-QGZVFWFLSA-N 1 3 316.493 2.883 20 0 DFADHO CC(C)[C@@H](Cn1cccn1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423534249 429111619 /nfs/dbraw/zinc/11/16/19/429111619.db2.gz ZSUHJAKNXFYWOZ-OIAUPDTQSA-N 1 3 316.493 2.651 20 0 DFADHO CC(C)[C@@H](Cn1cccn1)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423534249 429111623 /nfs/dbraw/zinc/11/16/23/429111623.db2.gz ZSUHJAKNXFYWOZ-OIAUPDTQSA-N 1 3 316.493 2.651 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)[C@H](C(C)C)N2CCCCC2)c1 ZINC000424252741 429115134 /nfs/dbraw/zinc/11/51/34/429115134.db2.gz ZHSSOAZVKGVCJK-KRWDZBQOSA-N 1 3 303.450 2.903 20 0 DFADHO CCC(CC)[C@H](CNC1CC(CC(=O)OC)C1)[NH+]1CCCC1 ZINC000424266461 429116917 /nfs/dbraw/zinc/11/69/17/429116917.db2.gz LBCFMMSMIYMPAD-PREGVCBESA-N 1 3 310.482 2.818 20 0 DFADHO CCc1cccc(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424283813 429119617 /nfs/dbraw/zinc/11/96/17/429119617.db2.gz CGLLYVPMJFHJJL-OAHLLOKOSA-N 1 3 315.461 2.652 20 0 DFADHO CCN(C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CCCCC1 ZINC000424285684 429120048 /nfs/dbraw/zinc/12/00/48/429120048.db2.gz GFWBAIUBFHCZNE-INIZCTEOSA-N 1 3 321.509 2.632 20 0 DFADHO COC(=O)CC1CC([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000424292271 429120620 /nfs/dbraw/zinc/12/06/20/429120620.db2.gz BZIHMBVISONJGE-UHFFFAOYSA-N 1 3 308.466 2.715 20 0 DFADHO COC(=O)CC1CC(NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000424292271 429120623 /nfs/dbraw/zinc/12/06/23/429120623.db2.gz BZIHMBVISONJGE-UHFFFAOYSA-N 1 3 308.466 2.715 20 0 DFADHO COC(=O)c1ccc(F)c(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424299012 429123188 /nfs/dbraw/zinc/12/31/88/429123188.db2.gz VIULVYMTLCNSDM-ZDUSSCGKSA-N 1 3 320.408 2.576 20 0 DFADHO CCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1N)[C@@H](C)c1ccc(F)cc1 ZINC000424334210 429127791 /nfs/dbraw/zinc/12/77/91/429127791.db2.gz NGTPAXPBXZUCBC-IAOVAPTHSA-N 1 3 321.440 2.595 20 0 DFADHO CCC[C@H](C)NC(=O)[C@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000435331564 429131500 /nfs/dbraw/zinc/13/15/00/429131500.db2.gz IBXAKPCTYVYYJK-BZSNNMDCSA-N 1 3 323.525 2.878 20 0 DFADHO CCC[C@H](C)NC(=O)[C@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000435331564 429131505 /nfs/dbraw/zinc/13/15/05/429131505.db2.gz IBXAKPCTYVYYJK-BZSNNMDCSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000424380302 429134372 /nfs/dbraw/zinc/13/43/72/429134372.db2.gz WSHFFKAJNYWDTI-SGIREYDYSA-N 1 3 301.434 2.837 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2N(C)CCCC2(C)C)c1 ZINC000424423035 429140747 /nfs/dbraw/zinc/14/07/47/429140747.db2.gz FPEOHSWOVMCJNI-INIZCTEOSA-N 1 3 318.465 2.696 20 0 DFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000494889141 429161789 /nfs/dbraw/zinc/16/17/89/429161789.db2.gz JTNYENJDFVYVIX-SQGPQFPESA-N 1 3 315.505 2.958 20 0 DFADHO c1ccc(COC2CC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000364072069 429166538 /nfs/dbraw/zinc/16/65/38/429166538.db2.gz HLIMMXILCCEICH-RRENTHDGSA-N 1 3 300.446 2.951 20 0 DFADHO c1ccc(COC2CC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000364072069 429166541 /nfs/dbraw/zinc/16/65/41/429166541.db2.gz HLIMMXILCCEICH-RRENTHDGSA-N 1 3 300.446 2.951 20 0 DFADHO O[C@]1(c2ccccc2)CCC[N@H+](CCCN2CCCC2)CC1 ZINC000375085967 275060513 /nfs/dbraw/zinc/06/05/13/275060513.db2.gz XCPATAVNCIYZIE-LJQANCHMSA-N 1 3 302.462 2.846 20 0 DFADHO O[C@]1(c2ccccc2)CCC[N@@H+](CCCN2CCCC2)CC1 ZINC000375085967 275060514 /nfs/dbraw/zinc/06/05/14/275060514.db2.gz XCPATAVNCIYZIE-LJQANCHMSA-N 1 3 302.462 2.846 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1CN(C)C ZINC000435928295 429173018 /nfs/dbraw/zinc/17/30/18/429173018.db2.gz PHRIUULHRVIZNM-QGZVFWFLSA-N 1 3 317.477 2.743 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1CN(C)C ZINC000435928295 429173020 /nfs/dbraw/zinc/17/30/20/429173020.db2.gz PHRIUULHRVIZNM-QGZVFWFLSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@H](Cc1ccccc1)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000364330099 429184425 /nfs/dbraw/zinc/18/44/25/429184425.db2.gz UFQMNXWGJFTQKN-AZUAARDMSA-N 1 3 315.505 2.577 20 0 DFADHO C[C@@H](Cc1ccccc1)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000364330099 429184429 /nfs/dbraw/zinc/18/44/29/429184429.db2.gz UFQMNXWGJFTQKN-AZUAARDMSA-N 1 3 315.505 2.577 20 0 DFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CCCCC[NH2+]1 ZINC000364462499 429207173 /nfs/dbraw/zinc/20/71/73/429207173.db2.gz PTYKHGWVVZRRRP-CABCVRRESA-N 1 3 321.490 2.533 20 0 DFADHO CN(C)[C@H]1CCC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495428745 429207851 /nfs/dbraw/zinc/20/78/51/429207851.db2.gz BCFGYWBWJYYQKE-KBPBESRZSA-N 1 3 313.486 2.752 20 0 DFADHO C[NH+](C)[C@H]1CCC[C@H](NCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495428745 429207856 /nfs/dbraw/zinc/20/78/56/429207856.db2.gz BCFGYWBWJYYQKE-KBPBESRZSA-N 1 3 313.486 2.752 20 0 DFADHO CC(C)c1ccc([C@@H](N)CNC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000364469220 429208535 /nfs/dbraw/zinc/20/85/35/429208535.db2.gz TVCNMKMRMOTNJG-QAPCUYQASA-N 1 3 317.477 2.706 20 0 DFADHO Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]CC2)c(CN(C)C)c1 ZINC000364498562 429214112 /nfs/dbraw/zinc/21/41/12/429214112.db2.gz XNWQUNNKMZJLIR-HNNXBMFYSA-N 1 3 303.450 2.775 20 0 DFADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCOc1ccc(OC(F)(F)F)cc1 ZINC000442769160 429234920 /nfs/dbraw/zinc/23/49/20/429234920.db2.gz MYJUBQXQMJLUFP-NEPJUHHUSA-N 1 3 318.339 2.633 20 0 DFADHO CCc1cc(NCCC[N@H+](C)CCOC)c2ccccc2n1 ZINC000443436044 429250430 /nfs/dbraw/zinc/25/04/30/429250430.db2.gz ZYEIMRIWBHJLRJ-UHFFFAOYSA-N 1 3 301.434 2.599 20 0 DFADHO CCc1cc(NCCC[N@@H+](C)CCOC)c2ccccc2n1 ZINC000443436044 429250433 /nfs/dbraw/zinc/25/04/33/429250433.db2.gz ZYEIMRIWBHJLRJ-UHFFFAOYSA-N 1 3 301.434 2.599 20 0 DFADHO C[N@H+](C[C@@H](O)CN1CC(C)(C)C[C@@H]1c1ccccc1)C1CC1 ZINC000425542739 429318741 /nfs/dbraw/zinc/31/87/41/429318741.db2.gz OSLHHKGHTSGQKN-QZTJIDSGSA-N 1 3 302.462 2.915 20 0 DFADHO C[N@@H+](C[C@@H](O)CN1CC(C)(C)C[C@@H]1c1ccccc1)C1CC1 ZINC000425542739 429318743 /nfs/dbraw/zinc/31/87/43/429318743.db2.gz OSLHHKGHTSGQKN-QZTJIDSGSA-N 1 3 302.462 2.915 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCn2cccn2)CC1 ZINC000449084082 429327789 /nfs/dbraw/zinc/32/77/89/429327789.db2.gz FMWWVTCBFBMPJR-QGZVFWFLSA-N 1 3 312.461 2.568 20 0 DFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCCN2C)CC1 ZINC000449102005 429333210 /nfs/dbraw/zinc/33/32/10/429333210.db2.gz HWNZLKQOVBLRMM-XLIONFOSSA-N 1 3 315.505 2.766 20 0 DFADHO COc1cc(F)cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000449103655 429333382 /nfs/dbraw/zinc/33/33/82/429333382.db2.gz RLEGTFOLWHBVNX-GJZGRUSLSA-N 1 3 324.440 2.813 20 0 DFADHO COc1cc(C)ccc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000449103791 429333472 /nfs/dbraw/zinc/33/34/72/429333472.db2.gz RZWCYXDBZIRVPJ-CALCHBBNSA-N 1 3 320.477 2.983 20 0 DFADHO C(N1CC[C@H]2CCC[C@H]21)C1(C[N@@H+]2CC[C@@H]3CCC[C@H]32)COC1 ZINC000426457192 429393130 /nfs/dbraw/zinc/39/31/30/429393130.db2.gz XRLJZTPEUWROFE-XMTFNYHQSA-N 1 3 304.478 2.752 20 0 DFADHO C(N1CC[C@H]2CCC[C@H]21)C1(C[N@H+]2CC[C@@H]3CCC[C@H]32)COC1 ZINC000426457192 429393133 /nfs/dbraw/zinc/39/31/33/429393133.db2.gz XRLJZTPEUWROFE-XMTFNYHQSA-N 1 3 304.478 2.752 20 0 DFADHO C(N1CC[C@@H]2CCC[C@H]21)C1(C[N@@H+]2CC[C@H]3CCC[C@H]32)COC1 ZINC000426457192 429393136 /nfs/dbraw/zinc/39/31/36/429393136.db2.gz XRLJZTPEUWROFE-XMTFNYHQSA-N 1 3 304.478 2.752 20 0 DFADHO C(N1CC[C@@H]2CCC[C@H]21)C1(C[N@H+]2CC[C@H]3CCC[C@H]32)COC1 ZINC000426457192 429393138 /nfs/dbraw/zinc/39/31/38/429393138.db2.gz XRLJZTPEUWROFE-XMTFNYHQSA-N 1 3 304.478 2.752 20 0 DFADHO CN1CCC(CC(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000365881921 429396617 /nfs/dbraw/zinc/39/66/17/429396617.db2.gz DTZNAIJFDWBUPB-KRWDZBQOSA-N 1 3 321.509 2.632 20 0 DFADHO CN1CCC(CC(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)CC1 ZINC000365881921 429396621 /nfs/dbraw/zinc/39/66/21/429396621.db2.gz DTZNAIJFDWBUPB-KRWDZBQOSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H]([NH2+]CC1=CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000449405438 429405490 /nfs/dbraw/zinc/40/54/90/429405490.db2.gz YMPRRBMTWLQGCC-APWZRJJASA-N 1 3 300.446 2.833 20 0 DFADHO C[C@@H](NCC1=CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449405438 429405494 /nfs/dbraw/zinc/40/54/94/429405494.db2.gz YMPRRBMTWLQGCC-APWZRJJASA-N 1 3 300.446 2.833 20 0 DFADHO C[C@@H](NCC1=CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449405438 429405496 /nfs/dbraw/zinc/40/54/96/429405496.db2.gz YMPRRBMTWLQGCC-APWZRJJASA-N 1 3 300.446 2.833 20 0 DFADHO C[C@H](Cc1ccoc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000449182871 429351744 /nfs/dbraw/zinc/35/17/44/429351744.db2.gz DCZMJIZFZQZQPV-JLSDUUJJSA-N 1 3 306.450 2.568 20 0 DFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCN2CCCC2)CC1 ZINC000449218776 429361310 /nfs/dbraw/zinc/36/13/10/429361310.db2.gz KQKPBBAMZYNVSO-GOSISDBHSA-N 1 3 315.505 2.767 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCc3c[nH]nc3C2)CC1 ZINC000513336712 429363127 /nfs/dbraw/zinc/36/31/27/429363127.db2.gz ZQJOAINFGOGLAJ-LJHODMEESA-N 1 3 316.493 2.900 20 0 DFADHO COc1cc(F)cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000449324589 429387527 /nfs/dbraw/zinc/38/75/27/429387527.db2.gz GGRCAHFNUAHRNE-MRXNPFEDSA-N 1 3 306.425 2.998 20 0 DFADHO CCO[C@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)C12CCOCC2 ZINC000366438421 429452185 /nfs/dbraw/zinc/45/21/85/429452185.db2.gz ZBMOWPIQKWTXNR-HIEASXQVSA-N 1 3 322.493 2.567 20 0 DFADHO C[N@H+](CCCCNC(=O)[C@H]1CCCCN1C1CCCC1)C1CC1 ZINC000457163117 429415752 /nfs/dbraw/zinc/41/57/52/429415752.db2.gz GOGRBGKOJLETTP-GOSISDBHSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@@H+](CCCCNC(=O)[C@H]1CCCCN1C1CCCC1)C1CC1 ZINC000457163117 429415756 /nfs/dbraw/zinc/41/57/56/429415756.db2.gz GOGRBGKOJLETTP-GOSISDBHSA-N 1 3 321.509 2.774 20 0 DFADHO CCOCCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426809568 429416617 /nfs/dbraw/zinc/41/66/17/429416617.db2.gz FGCDVHIOLXMTRY-IRXDYDNUSA-N 1 3 312.498 2.624 20 0 DFADHO CCCCN1CCCC[C@@H]1CNC(=O)[C@H](CCC)[NH2+]C(C)C ZINC000491900260 429430577 /nfs/dbraw/zinc/43/05/77/429430577.db2.gz DMXMVYZOZCWSOK-SJORKVTESA-N 1 3 311.514 2.924 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)/C=C\CN(C)C)CC1 ZINC000492162826 429479121 /nfs/dbraw/zinc/47/91/21/429479121.db2.gz UJYDQOXFRDJKAX-QLBOMPFWSA-N 1 3 321.509 2.607 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)/C=C\CN(C)C)CC1 ZINC000492162826 429479124 /nfs/dbraw/zinc/47/91/24/429479124.db2.gz UJYDQOXFRDJKAX-QLBOMPFWSA-N 1 3 321.509 2.607 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1)C1CC1 ZINC000449755498 429499399 /nfs/dbraw/zinc/49/93/99/429499399.db2.gz UFHPXVBJTWHOEF-KRWDZBQOSA-N 1 3 315.461 2.541 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000367049865 429565821 /nfs/dbraw/zinc/56/58/21/429565821.db2.gz JVEJYWGPZBWXKK-GOSISDBHSA-N 1 3 318.461 2.676 20 0 DFADHO C[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000449936622 429539765 /nfs/dbraw/zinc/53/97/65/429539765.db2.gz DSLCWMALTBQIFE-WBVHZDCISA-N 1 3 323.525 2.876 20 0 DFADHO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000429759788 429630535 /nfs/dbraw/zinc/63/05/35/429630535.db2.gz AOFVQZUIAJVSBN-NXHRZFHOSA-N 1 3 317.477 2.574 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)[C@@H]2CCC[C@H]21 ZINC000367517921 429664046 /nfs/dbraw/zinc/66/40/46/429664046.db2.gz FILBQPNWYKPMAG-GBESFXJTSA-N 1 3 310.445 2.835 20 0 DFADHO CC[N@H+](CCC1CCN(Cc2cccnc2N)CC1)CC1CC1 ZINC000450657195 429671904 /nfs/dbraw/zinc/67/19/04/429671904.db2.gz YWEFLSMKJWDELO-UHFFFAOYSA-N 1 3 316.493 2.998 20 0 DFADHO CC[N@@H+](CCC1CCN(Cc2cccnc2N)CC1)CC1CC1 ZINC000450657195 429671908 /nfs/dbraw/zinc/67/19/08/429671908.db2.gz YWEFLSMKJWDELO-UHFFFAOYSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1cc(F)ccc1[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000367583786 429678382 /nfs/dbraw/zinc/67/83/82/429678382.db2.gz FWLIVLSXELEOHR-ONYGOOLBSA-N 1 3 306.425 2.725 20 0 DFADHO Cc1cc(F)ccc1[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000367583786 429678384 /nfs/dbraw/zinc/67/83/84/429678384.db2.gz FWLIVLSXELEOHR-ONYGOOLBSA-N 1 3 306.425 2.725 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000367597613 429680560 /nfs/dbraw/zinc/68/05/60/429680560.db2.gz BXZHUZQHYUPXSC-IAGOWNOFSA-N 1 3 322.497 2.978 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccccc2Cn2cccn2)[C@@H]2CCC[C@H]21 ZINC000367601064 429681271 /nfs/dbraw/zinc/68/12/71/429681271.db2.gz MELQDQLTICDHRY-SLFFLAALSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccccc2Cn2cccn2)[C@@H]2CCC[C@H]21 ZINC000367601064 429681275 /nfs/dbraw/zinc/68/12/75/429681275.db2.gz MELQDQLTICDHRY-SLFFLAALSA-N 1 3 324.472 2.894 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)N2CCc3ccccc32)[C@@H](C)C1 ZINC000246969208 276228957 /nfs/dbraw/zinc/22/89/57/276228957.db2.gz JIPLQTHWIHISBU-JZXOWHBKSA-N 1 3 301.478 2.758 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](C)N2CCc3ccccc32)[C@@H](C)C1 ZINC000246969208 276228960 /nfs/dbraw/zinc/22/89/60/276228960.db2.gz JIPLQTHWIHISBU-JZXOWHBKSA-N 1 3 301.478 2.758 20 0 DFADHO C[N@@H+]1CC[C@H](NCC[C@](C)(O)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000367631759 429689596 /nfs/dbraw/zinc/68/95/96/429689596.db2.gz FFGGLTNRHMOZBQ-XWSJACJDSA-N 1 3 302.462 2.747 20 0 DFADHO C[N@H+]1CC[C@H](NCC[C@](C)(O)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000367631759 429689600 /nfs/dbraw/zinc/68/96/00/429689600.db2.gz FFGGLTNRHMOZBQ-XWSJACJDSA-N 1 3 302.462 2.747 20 0 DFADHO CN1CCN(CC2(C)CC[NH+](CC34CCC(CC3)C4)CC2)CC1 ZINC000450737114 429688142 /nfs/dbraw/zinc/68/81/42/429688142.db2.gz KOCUUFOMVORIPI-UHFFFAOYSA-N 1 3 319.537 2.916 20 0 DFADHO Cc1cccc(C)c1OCCCN1CCC(OCCC[NH3+])CC1 ZINC000430597037 429698756 /nfs/dbraw/zinc/69/87/56/429698756.db2.gz YFALVWZCTPVASG-UHFFFAOYSA-N 1 3 320.477 2.902 20 0 DFADHO CCN1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000362485915 276358597 /nfs/dbraw/zinc/35/85/97/276358597.db2.gz HPFXFPNDBPSLGS-INIZCTEOSA-N 1 3 321.509 2.584 20 0 DFADHO CCN1CCC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000362485915 276358600 /nfs/dbraw/zinc/35/86/00/276358600.db2.gz HPFXFPNDBPSLGS-INIZCTEOSA-N 1 3 321.509 2.584 20 0 DFADHO CN(CCC(=O)Nc1ccc(Cl)cc1F)CC(C)(C)C[NH3+] ZINC000430578074 429697056 /nfs/dbraw/zinc/69/70/56/429697056.db2.gz DEWBBWXTXDVWGN-UHFFFAOYSA-N 1 3 315.820 2.724 20 0 DFADHO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC(C)(C)CN ZINC000430578074 429697057 /nfs/dbraw/zinc/69/70/57/429697057.db2.gz DEWBBWXTXDVWGN-UHFFFAOYSA-N 1 3 315.820 2.724 20 0 DFADHO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC(C)(C)CN ZINC000430578074 429697062 /nfs/dbraw/zinc/69/70/62/429697062.db2.gz DEWBBWXTXDVWGN-UHFFFAOYSA-N 1 3 315.820 2.724 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H](N)c2ccccc2)C[C@H]1C ZINC000430797355 429717797 /nfs/dbraw/zinc/71/77/97/429717797.db2.gz OMTBLZVFQZNEEQ-XYVMCAHJSA-N 1 3 317.477 2.654 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H](N)c2ccccc2)C[C@H]1C ZINC000430797355 429717800 /nfs/dbraw/zinc/71/78/00/429717800.db2.gz OMTBLZVFQZNEEQ-XYVMCAHJSA-N 1 3 317.477 2.654 20 0 DFADHO CC(C)[C@H](O)CN1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000367795452 429719134 /nfs/dbraw/zinc/71/91/34/429719134.db2.gz VVKLEUDWEBPVOP-RBUKOAKNSA-N 1 3 304.478 2.990 20 0 DFADHO CC(C)[C@H](O)CN1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000367795452 429719138 /nfs/dbraw/zinc/71/91/38/429719138.db2.gz VVKLEUDWEBPVOP-RBUKOAKNSA-N 1 3 304.478 2.990 20 0 DFADHO C[C@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@@H](N)c1ccccc1 ZINC000430894317 429722047 /nfs/dbraw/zinc/72/20/47/429722047.db2.gz MKVWXEHDEHSVGE-UIBIWLFHSA-N 1 3 317.477 2.702 20 0 DFADHO C[C@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@@H](N)c1ccccc1 ZINC000430894317 429722050 /nfs/dbraw/zinc/72/20/50/429722050.db2.gz MKVWXEHDEHSVGE-UIBIWLFHSA-N 1 3 317.477 2.702 20 0 DFADHO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000430917428 429722765 /nfs/dbraw/zinc/72/27/65/429722765.db2.gz DDZUBNSSLLRQEM-OWCLPIDISA-N 1 3 317.477 2.620 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430915154 429722976 /nfs/dbraw/zinc/72/29/76/429722976.db2.gz OSQCSGHDINYXLY-UHFFFAOYSA-N 1 3 310.445 2.961 20 0 DFADHO Cc1noc(C2CCC([NH2+][C@@H]3CCC[C@H](N(C)C)C3)CC2)n1 ZINC000368032019 429772785 /nfs/dbraw/zinc/77/27/85/429772785.db2.gz WGZZFONZVSZIBF-FJBKBRRZSA-N 1 3 306.454 2.867 20 0 DFADHO CN(C)[C@H](CC(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000431906663 429789291 /nfs/dbraw/zinc/78/92/91/429789291.db2.gz HFYOVUQWMHHKNL-QGZVFWFLSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)[C@H]1CC12CC2 ZINC000527886533 429815414 /nfs/dbraw/zinc/81/54/14/429815414.db2.gz KYJLESPCABVMNC-JCGIZDLHSA-N 1 3 300.446 2.531 20 0 DFADHO CN1CCC(CC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000368277046 429823034 /nfs/dbraw/zinc/82/30/34/429823034.db2.gz AETBGURECBAXNR-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCN1C1CCCCC1 ZINC000527946600 429825081 /nfs/dbraw/zinc/82/50/81/429825081.db2.gz HTWWGODESYKUGI-IBGZPJMESA-N 1 3 305.510 2.857 20 0 DFADHO C[C@@H]1[C@@H]([NH2+]CCCN2CCCN(C)CC2)C[C@@H]1c1ccccc1 ZINC000368355579 429836647 /nfs/dbraw/zinc/83/66/47/429836647.db2.gz XWSWFDJPOBSKPN-IHPCNDPISA-N 1 3 315.505 2.796 20 0 DFADHO CCCN1CC[C@H](C[NH2+]C2CCC(c3nc(C)no3)CC2)C1 ZINC000368369022 429837952 /nfs/dbraw/zinc/83/79/52/429837952.db2.gz GPAGJAMACVJAJJ-QQFBHYJXSA-N 1 3 306.454 2.726 20 0 DFADHO CC1([NH+]2CCOCC2)CCN(c2ccnc3ccccc32)CC1 ZINC000528189740 429859766 /nfs/dbraw/zinc/85/97/66/429859766.db2.gz NQMDTZHCZUTOAK-UHFFFAOYSA-N 1 3 311.429 2.926 20 0 DFADHO CC1(N2CCOCC2)CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000528189740 429859768 /nfs/dbraw/zinc/85/97/68/429859768.db2.gz NQMDTZHCZUTOAK-UHFFFAOYSA-N 1 3 311.429 2.926 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CC12CC2 ZINC000527848520 429810002 /nfs/dbraw/zinc/81/00/02/429810002.db2.gz KKOIUZJRQAVUEG-LPHOPBHVSA-N 1 3 313.489 2.712 20 0 DFADHO COC[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000368235190 429815007 /nfs/dbraw/zinc/81/50/07/429815007.db2.gz NSRQHBXVQZPWFA-DSLXNQLJSA-N 1 3 302.462 2.912 20 0 DFADHO COC[C@H](C)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000368235190 429815009 /nfs/dbraw/zinc/81/50/09/429815009.db2.gz NSRQHBXVQZPWFA-DSLXNQLJSA-N 1 3 302.462 2.912 20 0 DFADHO COC[C@H](C)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000368235190 429815012 /nfs/dbraw/zinc/81/50/12/429815012.db2.gz NSRQHBXVQZPWFA-DSLXNQLJSA-N 1 3 302.462 2.912 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC2CC(C)(C)C2)CC1 ZINC000528365818 429879126 /nfs/dbraw/zinc/87/91/26/429879126.db2.gz MQWUPJFIYYMGPW-CALCHBBNSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC2CC(C)(C)C2)CC1 ZINC000528365818 429879130 /nfs/dbraw/zinc/87/91/30/429879130.db2.gz MQWUPJFIYYMGPW-CALCHBBNSA-N 1 3 307.526 2.913 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000528478083 429891732 /nfs/dbraw/zinc/89/17/32/429891732.db2.gz SOWLFRGYLSSENJ-QZTJIDSGSA-N 1 3 308.441 2.799 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000528478083 429891734 /nfs/dbraw/zinc/89/17/34/429891734.db2.gz SOWLFRGYLSSENJ-QZTJIDSGSA-N 1 3 308.441 2.799 20 0 DFADHO CO[C@@H](Cc1ccc(F)cc1)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000528512751 429895007 /nfs/dbraw/zinc/89/50/07/429895007.db2.gz NFUQFHJHFJHENZ-OALUTQOASA-N 1 3 320.452 2.801 20 0 DFADHO CO[C@@H](Cc1ccc(F)cc1)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000528512751 429895008 /nfs/dbraw/zinc/89/50/08/429895008.db2.gz NFUQFHJHFJHENZ-OALUTQOASA-N 1 3 320.452 2.801 20 0 DFADHO CO[C@H](C[N@@H+]1CCCN(c2ccncc2)CC1)C1CCCC1 ZINC000639683686 429946123 /nfs/dbraw/zinc/94/61/23/429946123.db2.gz LQHMMABBBHUESS-GOSISDBHSA-N 1 3 303.450 2.799 20 0 DFADHO CO[C@H](C[N@H+]1CCCN(c2ccncc2)CC1)C1CCCC1 ZINC000639683686 429946126 /nfs/dbraw/zinc/94/61/26/429946126.db2.gz LQHMMABBBHUESS-GOSISDBHSA-N 1 3 303.450 2.799 20 0 DFADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCCN(c2ccncc2)CC1 ZINC000639684609 429947114 /nfs/dbraw/zinc/94/71/14/429947114.db2.gz XGCBCRHVUDLKAL-LJQANCHMSA-N 1 3 316.493 2.857 20 0 DFADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCCN(c2ccncc2)CC1 ZINC000639684609 429947119 /nfs/dbraw/zinc/94/71/19/429947119.db2.gz XGCBCRHVUDLKAL-LJQANCHMSA-N 1 3 316.493 2.857 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc2cc[nH]c2c1 ZINC000529567983 430031778 /nfs/dbraw/zinc/03/17/78/430031778.db2.gz YRGCXLCAYMJEAP-UHFFFAOYSA-N 1 3 314.477 2.626 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc2cc[nH]c2c1 ZINC000529567983 430031781 /nfs/dbraw/zinc/03/17/81/430031781.db2.gz YRGCXLCAYMJEAP-UHFFFAOYSA-N 1 3 314.477 2.626 20 0 DFADHO COCCN(C)CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000574415137 430039804 /nfs/dbraw/zinc/03/98/04/430039804.db2.gz SYQLFIOYRAXBRH-OTWHNJEPSA-N 1 3 319.493 2.556 20 0 DFADHO C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000573912452 429993391 /nfs/dbraw/zinc/99/33/91/429993391.db2.gz ROADHLSFWQJURV-OFQRWUPVSA-N 1 3 307.869 2.896 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CCCNC1 ZINC000573912452 429993396 /nfs/dbraw/zinc/99/33/96/429993396.db2.gz ROADHLSFWQJURV-OFQRWUPVSA-N 1 3 307.869 2.896 20 0 DFADHO CCN1CCN(Cc2ccc(C[NH2+]CC3(C)CC3)cc2)CC1 ZINC000558961276 429995434 /nfs/dbraw/zinc/99/54/34/429995434.db2.gz AABGTUGFQRSPDR-UHFFFAOYSA-N 1 3 301.478 2.714 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000574268970 430026981 /nfs/dbraw/zinc/02/69/81/430026981.db2.gz OZWVHLIOUISVGZ-BMHOQUIDSA-N 1 3 302.462 2.650 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCNCC(C)(C)C1)CC2 ZINC000634733618 430092544 /nfs/dbraw/zinc/09/25/44/430092544.db2.gz JRADOPJZRLHDGF-IAGOWNOFSA-N 1 3 302.462 2.920 20 0 DFADHO C[C@H](CC(=O)N1CCCCCC1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732497 430094033 /nfs/dbraw/zinc/09/40/33/430094033.db2.gz HRGVPLKJRSZALL-HZPDHXFCSA-N 1 3 309.498 2.535 20 0 DFADHO COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)C2 ZINC000561976896 430102612 /nfs/dbraw/zinc/10/26/12/430102612.db2.gz VVDHWBYHCRHFFB-DOTOQJQBSA-N 1 3 302.462 2.872 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000530220930 430106088 /nfs/dbraw/zinc/10/60/88/430106088.db2.gz KQQYHZKVSOUBDV-BHIYHBOVSA-N 1 3 320.452 2.847 20 0 DFADHO CC(C)[C@@H](NCCOCC[NH+](C)C)c1ccc(F)cc1F ZINC000634683335 430075210 /nfs/dbraw/zinc/07/52/10/430075210.db2.gz OYSXQJFUYQSINR-MRXNPFEDSA-N 1 3 300.393 2.830 20 0 DFADHO OCCN(Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCc2ccccc21 ZINC000580654764 430141806 /nfs/dbraw/zinc/14/18/06/430141806.db2.gz YQSMGACTNYYBBM-NRFANRHFSA-N 1 3 322.452 2.814 20 0 DFADHO OCCN(Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCc2ccccc21 ZINC000580654767 430142956 /nfs/dbraw/zinc/14/29/56/430142956.db2.gz YQSMGACTNYYBBM-OAQYLSRUSA-N 1 3 322.452 2.814 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4cc(F)ccc43)C2)CC1 ZINC000370625184 277027797 /nfs/dbraw/zinc/02/77/97/277027797.db2.gz VYWRFVYTIRCLFI-VQIMIIECSA-N 1 3 317.452 2.571 20 0 DFADHO C[N@@H+]1CCC[C@@H](N2CCN([C@@H]3CCCc4ccccc43)CC2)C1 ZINC000369353293 277053706 /nfs/dbraw/zinc/05/37/06/277053706.db2.gz BXGYTPRHJFDRHS-UYAOXDASSA-N 1 3 313.489 2.776 20 0 DFADHO C[N@H+]1CCC[C@@H](N2CCN([C@@H]3CCCc4ccccc43)CC2)C1 ZINC000369353293 277053708 /nfs/dbraw/zinc/05/37/08/277053708.db2.gz BXGYTPRHJFDRHS-UYAOXDASSA-N 1 3 313.489 2.776 20 0 DFADHO Cc1c([C@@H](C)N[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccccc1 ZINC000635007542 430194737 /nfs/dbraw/zinc/19/47/37/430194737.db2.gz QYOZSWFFWCLWBU-FVQBIDKESA-N 1 3 313.449 2.744 20 0 DFADHO C[N@@H+]1CCN(CCN[C@@H]2CCc3c2c(F)ccc3F)CC1(C)C ZINC000282267044 277106458 /nfs/dbraw/zinc/10/64/58/277106458.db2.gz KFPQCNHLHBWFBV-MRXNPFEDSA-N 1 3 323.431 2.568 20 0 DFADHO C[N@H+]1CCN(CCN[C@@H]2CCc3c2c(F)ccc3F)CC1(C)C ZINC000282267044 277106459 /nfs/dbraw/zinc/10/64/59/277106459.db2.gz KFPQCNHLHBWFBV-MRXNPFEDSA-N 1 3 323.431 2.568 20 0 DFADHO CN1CCN(CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1(C)C ZINC000282443839 277106575 /nfs/dbraw/zinc/10/65/75/277106575.db2.gz SBNKORSFLRBVTM-MOPGFXCFSA-N 1 3 315.505 2.938 20 0 DFADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC[C@@H](N)Cc2ccccc2)C12CCC2 ZINC000635007754 430193940 /nfs/dbraw/zinc/19/39/40/430193940.db2.gz PGCBFUGWLPISMX-NRSFXHEJSA-N 1 3 302.462 2.740 20 0 DFADHO Fc1ccc2c(c1)[C@H](Nc1cc(N3CCNCC3)cc[nH+]1)CC2 ZINC000635008223 430195981 /nfs/dbraw/zinc/19/59/81/430195981.db2.gz IFXGRCMFNCKEMB-QGZVFWFLSA-N 1 3 312.392 2.730 20 0 DFADHO CCC[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccnc1 ZINC000635008342 430196297 /nfs/dbraw/zinc/19/62/97/430196297.db2.gz JCUSBESLOVBARM-QGZVFWFLSA-N 1 3 311.433 2.840 20 0 DFADHO Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCCC[C@H]3N)C2)cc1 ZINC000635013012 430198017 /nfs/dbraw/zinc/19/80/17/430198017.db2.gz PVLLVDRAGONFQS-IPMKNSEASA-N 1 3 301.478 2.819 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@@H]3CCCCC[C@H]3[NH3+])C2)cc1 ZINC000635013012 430198019 /nfs/dbraw/zinc/19/80/19/430198019.db2.gz PVLLVDRAGONFQS-IPMKNSEASA-N 1 3 301.478 2.819 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@@H]3CCCC[C@@H]3C[NH3+])C2)cc1 ZINC000635013686 430198334 /nfs/dbraw/zinc/19/83/34/430198334.db2.gz VCKWLSNCPAEJGK-CEXWTWQISA-N 1 3 301.478 2.676 20 0 DFADHO CCN[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000638061986 430224709 /nfs/dbraw/zinc/22/47/09/430224709.db2.gz BUKNDYVJTWSQRV-HUUCEWRRSA-N 1 3 303.450 2.998 20 0 DFADHO CCN[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000638061986 430224713 /nfs/dbraw/zinc/22/47/13/430224713.db2.gz BUKNDYVJTWSQRV-HUUCEWRRSA-N 1 3 303.450 2.998 20 0 DFADHO CN(CC1CC[NH+](C)CC1)[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000638029118 430213057 /nfs/dbraw/zinc/21/30/57/430213057.db2.gz LYIPEUFUHLRUSY-INIZCTEOSA-N 1 3 305.470 2.700 20 0 DFADHO CC(C)[N@@H+]1CCCC[C@@H]1CN(CCN(C)C)Cc1ccccn1 ZINC000566424729 430259294 /nfs/dbraw/zinc/25/92/94/430259294.db2.gz OUZOSTMJONLNSP-LJQANCHMSA-N 1 3 318.509 2.708 20 0 DFADHO CC(C)[N@H+]1CCCC[C@@H]1CN(CCN(C)C)Cc1ccccn1 ZINC000566424729 430259296 /nfs/dbraw/zinc/25/92/96/430259296.db2.gz OUZOSTMJONLNSP-LJQANCHMSA-N 1 3 318.509 2.708 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCN(c4ccccc4)C3)CC[C@H]21 ZINC000638176457 430262016 /nfs/dbraw/zinc/26/20/16/430262016.db2.gz DTKQPCGIDTUCIA-QWFCFKBJSA-N 1 3 313.489 2.929 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCN(c4ccccc4)C3)CC[C@H]21 ZINC000638176457 430262020 /nfs/dbraw/zinc/26/20/20/430262020.db2.gz DTKQPCGIDTUCIA-QWFCFKBJSA-N 1 3 313.489 2.929 20 0 DFADHO COc1ccccc1[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)N1CCCC1 ZINC000566481871 430265514 /nfs/dbraw/zinc/26/55/14/430265514.db2.gz GXWBUSJBPBQJMJ-RYRKJORJSA-N 1 3 317.477 2.692 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000638205367 430273422 /nfs/dbraw/zinc/27/34/22/430273422.db2.gz PLVNJFSVNQGHFT-QZTJIDSGSA-N 1 3 313.445 2.719 20 0 DFADHO C[C@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C1=CCN(C)CC1 ZINC000581603651 430225694 /nfs/dbraw/zinc/22/56/94/430225694.db2.gz LENNIKWKHPRJIG-LBPRGKRZSA-N 1 3 323.387 2.533 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000638086963 430229587 /nfs/dbraw/zinc/22/95/87/430229587.db2.gz YASNSIYSGGKGFA-ROUUACIJSA-N 1 3 323.525 2.720 20 0 DFADHO CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000638083895 430230505 /nfs/dbraw/zinc/23/05/05/430230505.db2.gz OWMQUSLYEAEOGA-NJAFHUGGSA-N 1 3 317.477 2.702 20 0 DFADHO CC(C)NCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000581737832 430238472 /nfs/dbraw/zinc/23/84/72/430238472.db2.gz UDAZUNLBIZDFIS-HNNXBMFYSA-N 1 3 303.450 2.998 20 0 DFADHO CC(C)NCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000581737832 430238474 /nfs/dbraw/zinc/23/84/74/430238474.db2.gz UDAZUNLBIZDFIS-HNNXBMFYSA-N 1 3 303.450 2.998 20 0 DFADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000638273034 430290337 /nfs/dbraw/zinc/29/03/37/430290337.db2.gz GOZLBLUCXQBECY-QAETUUGQSA-N 1 3 309.498 2.614 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(C)cc2Cl)CC1 ZINC000568030191 430307156 /nfs/dbraw/zinc/30/71/56/430307156.db2.gz LUYJCSLDPBZHOX-OAHLLOKOSA-N 1 3 309.885 2.764 20 0 DFADHO CN1CCN(CCCC[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638359282 430315846 /nfs/dbraw/zinc/31/58/46/430315846.db2.gz INHGEWHTPRLULK-WOJBJXKFSA-N 1 3 315.505 2.797 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2c(C)cccc2OC)CC1 ZINC000638361182 430317701 /nfs/dbraw/zinc/31/77/01/430317701.db2.gz YXCAFXVQNYPACD-UHFFFAOYSA-N 1 3 319.493 2.511 20 0 DFADHO CCC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)C ZINC000568183365 430327452 /nfs/dbraw/zinc/32/74/52/430327452.db2.gz RPHVJBHKCGWKGP-QGZVFWFLSA-N 1 3 305.466 2.526 20 0 DFADHO CCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)C ZINC000568183365 430327459 /nfs/dbraw/zinc/32/74/59/430327459.db2.gz RPHVJBHKCGWKGP-QGZVFWFLSA-N 1 3 305.466 2.526 20 0 DFADHO C[C@@]1(CNC[C@@H](O)C[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000638410727 430333694 /nfs/dbraw/zinc/33/36/94/430333694.db2.gz AZTRGSDCGODONB-QYZOEREBSA-N 1 3 302.462 2.617 20 0 DFADHO CCN(CCNC1CC[NH+](CC2CC2)CC1)CCC(F)(F)F ZINC000582881290 430343310 /nfs/dbraw/zinc/34/33/10/430343310.db2.gz BWWCVULYKCTORO-UHFFFAOYSA-N 1 3 321.431 2.725 20 0 DFADHO CCN(CC[NH2+]C1CCN(CC2CC2)CC1)CCC(F)(F)F ZINC000582881290 430343314 /nfs/dbraw/zinc/34/33/14/430343314.db2.gz BWWCVULYKCTORO-UHFFFAOYSA-N 1 3 321.431 2.725 20 0 DFADHO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(CNC2CCCC2)nn1 ZINC000641168384 430351506 /nfs/dbraw/zinc/35/15/06/430351506.db2.gz DDXSJFRCIRXVKJ-QGZVFWFLSA-N 1 3 305.470 2.573 20 0 DFADHO CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(CNC2CCCC2)nn1 ZINC000641168384 430351510 /nfs/dbraw/zinc/35/15/10/430351510.db2.gz DDXSJFRCIRXVKJ-QGZVFWFLSA-N 1 3 305.470 2.573 20 0 DFADHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@@H]1CC1(F)F ZINC000638693479 430411525 /nfs/dbraw/zinc/41/15/25/430411525.db2.gz UFFHAYVXOAUCCW-CABCVRRESA-N 1 3 315.452 2.570 20 0 DFADHO Cc1ccc(O[C@@H](C)CNC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638701488 430414193 /nfs/dbraw/zinc/41/41/93/430414193.db2.gz FWEZYMPJHGFSFM-INIZCTEOSA-N 1 3 320.477 2.587 20 0 DFADHO CC[C@@H](N)c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179206 430353850 /nfs/dbraw/zinc/35/38/50/430353850.db2.gz GCIXDMXOGRYRDO-QGZVFWFLSA-N 1 3 313.449 2.722 20 0 DFADHO C[C@@H](CC[NH2+]CCCCN1CCN(C)CC1)c1ccccc1 ZINC000568472094 430360507 /nfs/dbraw/zinc/36/05/07/430360507.db2.gz AOJCVASPDTZZKA-SFHVURJKSA-N 1 3 303.494 2.797 20 0 DFADHO CC(C)C[C@@H]1CCC[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000568501080 430363195 /nfs/dbraw/zinc/36/31/95/430363195.db2.gz CSYXRJPWZHESKX-GOEBONIOSA-N 1 3 319.497 2.966 20 0 DFADHO CC(C)(C[NH2+]C[C@H](O)CCc1ccccc1)CN1CCCC1 ZINC000568502387 430363692 /nfs/dbraw/zinc/36/36/92/430363692.db2.gz ODKQSRSUDMQMHS-GOSISDBHSA-N 1 3 304.478 2.692 20 0 DFADHO CC(C)(CNC[C@H](O)CCc1ccccc1)C[NH+]1CCCC1 ZINC000568502387 430363694 /nfs/dbraw/zinc/36/36/94/430363694.db2.gz ODKQSRSUDMQMHS-GOSISDBHSA-N 1 3 304.478 2.692 20 0 DFADHO Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000568531955 430369180 /nfs/dbraw/zinc/36/91/80/430369180.db2.gz UUJPJZIAZFRQNQ-YJBOKZPZSA-N 1 3 310.445 2.958 20 0 DFADHO c1cnn(C2CC([NH2+]C3CCN(C4CCCCC4)CC3)C2)c1 ZINC000638719629 430417444 /nfs/dbraw/zinc/41/74/44/430417444.db2.gz FZMMBBGHSZDOFL-UHFFFAOYSA-N 1 3 302.466 2.973 20 0 DFADHO c1cnn(C2CC(NC3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000638719629 430417447 /nfs/dbraw/zinc/41/74/47/430417447.db2.gz FZMMBBGHSZDOFL-UHFFFAOYSA-N 1 3 302.466 2.973 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CCCc3cccc(CN)c32)cc1 ZINC000638544359 430373822 /nfs/dbraw/zinc/37/38/22/430373822.db2.gz UMNZVVAOZORGOV-CYBMUJFWSA-N 1 3 309.413 2.758 20 0 DFADHO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000568973023 430410482 /nfs/dbraw/zinc/41/04/82/430410482.db2.gz CIHSCHNYYQWFFD-UHFFFAOYSA-N 1 3 316.449 2.674 20 0 DFADHO C[C@H](C(=O)N(C)CCCC[NH+]1CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000641662237 430437625 /nfs/dbraw/zinc/43/76/25/430437625.db2.gz ZVJIKIRUWDTENJ-KZNAEPCWSA-N 1 3 323.525 2.972 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641661485 430438008 /nfs/dbraw/zinc/43/80/08/430438008.db2.gz NEUPLPNWKJAIAT-QGZVFWFLSA-N 1 3 309.498 2.585 20 0 DFADHO CN(CCCC[NH+]1CCCCC1)C(=O)[C@H](C1CC1)N1CCCC1 ZINC000641673485 430440125 /nfs/dbraw/zinc/44/01/25/430440125.db2.gz RBBCHQKDDSTWKJ-SFHVURJKSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])N1CCC[C@@H](C)C1 ZINC000569357737 430448575 /nfs/dbraw/zinc/44/85/75/430448575.db2.gz ZQJWRZOQRARZAL-VQHPVUNQSA-N 1 3 309.498 2.521 20 0 DFADHO CO[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)CC(C)C ZINC000638837065 430450884 /nfs/dbraw/zinc/45/08/84/430450884.db2.gz NZDAGJSRURZZGM-SFHVURJKSA-N 1 3 305.466 2.949 20 0 DFADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000584047277 430452473 /nfs/dbraw/zinc/45/24/73/430452473.db2.gz FKEZEKGTJNUVLK-MSOLQXFVSA-N 1 3 300.402 2.966 20 0 DFADHO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC000636110577 430463883 /nfs/dbraw/zinc/46/38/83/430463883.db2.gz DFAOOPHABGHDGJ-BPQIPLTHSA-N 1 3 319.493 2.527 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000569566623 430466597 /nfs/dbraw/zinc/46/65/97/430466597.db2.gz FBKRPDHCJQTGPR-MSOLQXFVSA-N 1 3 315.461 2.559 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@@H]3CCC[C@@H]([NH3+])C3)C2)c1 ZINC000584183159 430467131 /nfs/dbraw/zinc/46/71/31/430467131.db2.gz WRMJWSOMHYSXOB-OAGGEKHMSA-N 1 3 303.450 2.524 20 0 DFADHO COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H](N)C3)C2)c1 ZINC000584183159 430467136 /nfs/dbraw/zinc/46/71/36/430467136.db2.gz WRMJWSOMHYSXOB-OAGGEKHMSA-N 1 3 303.450 2.524 20 0 DFADHO CC1(C)[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C[C@@H]1N ZINC000641803958 430477533 /nfs/dbraw/zinc/47/75/33/430477533.db2.gz WJFORBKOVBGRRO-QWHCGFSZSA-N 1 3 302.340 2.800 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCCCNC1 ZINC000583740552 430424351 /nfs/dbraw/zinc/42/43/51/430424351.db2.gz YGEHTAPCOQMLPA-DOMZBBRYSA-N 1 3 309.841 2.789 20 0 DFADHO CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000583789577 430427414 /nfs/dbraw/zinc/42/74/14/430427414.db2.gz NNIDXWRHEMVVTF-ROUUACIJSA-N 1 3 321.509 2.726 20 0 DFADHO CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000583789577 430427420 /nfs/dbraw/zinc/42/74/20/430427420.db2.gz NNIDXWRHEMVVTF-ROUUACIJSA-N 1 3 321.509 2.726 20 0 DFADHO CCCc1nc(C)c(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000641823616 430482524 /nfs/dbraw/zinc/48/25/24/430482524.db2.gz STXDVZSMBVDLAG-ARFHVFGLSA-N 1 3 321.465 2.654 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000570411068 430540686 /nfs/dbraw/zinc/54/06/86/430540686.db2.gz TWAYQFLYGXXVHM-IRXDYDNUSA-N 1 3 306.425 2.733 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000570411068 430540688 /nfs/dbraw/zinc/54/06/88/430540688.db2.gz TWAYQFLYGXXVHM-IRXDYDNUSA-N 1 3 306.425 2.733 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCCC2)c1 ZINC000570200291 430521253 /nfs/dbraw/zinc/52/12/53/430521253.db2.gz XKDQCDLFDCVEOP-HNNXBMFYSA-N 1 3 303.450 2.963 20 0 DFADHO COc1ccc(COCCN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000643441038 430601145 /nfs/dbraw/zinc/60/11/45/430601145.db2.gz OBLNZWQBNJCDJX-VYDXJSESSA-N 1 3 306.450 2.517 20 0 DFADHO C[C@H](N[C@@H](CN1CCCCC1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000643451868 430601234 /nfs/dbraw/zinc/60/12/34/430601234.db2.gz NIMVKBUIBRPPPF-UHOSZYNNSA-N 1 3 301.478 2.944 20 0 DFADHO C[C@@H](N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000643451865 430601315 /nfs/dbraw/zinc/60/13/15/430601315.db2.gz NIMVKBUIBRPPPF-NZSAHSFTSA-N 1 3 301.478 2.944 20 0 DFADHO COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@H](N)c3ccccc31)C2 ZINC000643451955 430601326 /nfs/dbraw/zinc/60/13/26/430601326.db2.gz CVVWAMSBXZUXSA-XOKHGSTOSA-N 1 3 310.397 2.733 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000552005048 430578192 /nfs/dbraw/zinc/57/81/92/430578192.db2.gz JJPPBSKCORGQNB-OKZBNKHCSA-N 1 3 323.525 2.545 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453175 430601862 /nfs/dbraw/zinc/60/18/62/430601862.db2.gz LTZXPIMNOOHGKV-IGCXYCKISA-N 1 3 309.404 2.508 20 0 DFADHO O=C(C[NH2+][C@H]1CCC[C@H](C2CC2)C1)NCCN1CCCCCC1 ZINC000552064824 430583265 /nfs/dbraw/zinc/58/32/65/430583265.db2.gz RIDYUVBCYKOHSU-ROUUACIJSA-N 1 3 321.509 2.537 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453308 430601924 /nfs/dbraw/zinc/60/19/24/430601924.db2.gz ZVHJUVHCSURSSX-CKEIUWERSA-N 1 3 307.869 2.754 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CC1(F)F ZINC000639264501 430593465 /nfs/dbraw/zinc/59/34/65/430593465.db2.gz FEOMLTSIVXDRFU-GDBMZVCRSA-N 1 3 324.415 2.647 20 0 DFADHO Cc1nc2ccccc2n1CCCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000643366958 430593965 /nfs/dbraw/zinc/59/39/65/430593965.db2.gz LTDBSSPPWIRZIV-IRXDYDNUSA-N 1 3 312.461 2.666 20 0 DFADHO C[NH+]1CCC2(CC1)CN(C[C@@]1(C)C[C@@H]1c1ccccc1)CCO2 ZINC000639286976 430598419 /nfs/dbraw/zinc/59/84/19/430598419.db2.gz VMBQRTOTWCFAAJ-RTBURBONSA-N 1 3 314.473 2.977 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000554724837 430649616 /nfs/dbraw/zinc/64/96/16/430649616.db2.gz VBTJYMGKCXBSDU-XUVXKRRUSA-N 1 3 313.489 2.712 20 0 DFADHO C[C@@H](N[C@H](C[NH3+])C1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000571753778 430650595 /nfs/dbraw/zinc/65/05/95/430650595.db2.gz FFBHELPDBJPSAE-DNVCBOLYSA-N 1 3 317.477 2.691 20 0 DFADHO C[C@@H](NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000643453183 430602678 /nfs/dbraw/zinc/60/26/78/430602678.db2.gz MOHWEZFMSFBOHO-QWQRMKEZSA-N 1 3 323.431 2.911 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000643463204 430604044 /nfs/dbraw/zinc/60/40/44/430604044.db2.gz KWUOUVZVCLWBAC-KBAYOESNSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@@H](NCCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000643458047 430604104 /nfs/dbraw/zinc/60/41/04/430604104.db2.gz ABMVQIFDEVZGOW-HUUCEWRRSA-N 1 3 316.424 2.532 20 0 DFADHO c1ccc(CCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000643458268 430604793 /nfs/dbraw/zinc/60/47/93/430604793.db2.gz DSZBKDRRZAWDAH-GBESFXJTSA-N 1 3 302.462 2.756 20 0 DFADHO CC[C@H]([NH2+]C[C@H](O)COc1c(C)cccc1C)[C@H]1CCCCN1 ZINC000643463871 430605587 /nfs/dbraw/zinc/60/55/87/430605587.db2.gz FWJRGKOURFQLJK-OKZBNKHCSA-N 1 3 320.477 2.553 20 0 DFADHO CC[C@H]([NH2+]C[C@@H](O)COc1c(C)cccc1C)[C@H]1CCCCN1 ZINC000643463870 430605773 /nfs/dbraw/zinc/60/57/73/430605773.db2.gz FWJRGKOURFQLJK-FGTMMUONSA-N 1 3 320.477 2.553 20 0 DFADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCOCC1CCC1 ZINC000643481269 430607336 /nfs/dbraw/zinc/60/73/36/430607336.db2.gz BPCZQYODVTYYLY-MJGOQNOKSA-N 1 3 316.445 2.649 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000571156508 430607524 /nfs/dbraw/zinc/60/75/24/430607524.db2.gz LNPSQRWIRHVDAX-XEIOYGOASA-N 1 3 318.461 2.574 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000571156508 430607526 /nfs/dbraw/zinc/60/75/26/430607526.db2.gz LNPSQRWIRHVDAX-XEIOYGOASA-N 1 3 318.461 2.574 20 0 DFADHO OCc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000643478187 430607596 /nfs/dbraw/zinc/60/75/96/430607596.db2.gz BCLKZDJJKNKDSK-CEXWTWQISA-N 1 3 302.462 2.622 20 0 DFADHO OCc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)cc1 ZINC000643478187 430607600 /nfs/dbraw/zinc/60/76/00/430607600.db2.gz BCLKZDJJKNKDSK-CEXWTWQISA-N 1 3 302.462 2.622 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000643512481 430611266 /nfs/dbraw/zinc/61/12/66/430611266.db2.gz MQCFTSFVBVDSEN-BMGDILEWSA-N 1 3 310.445 2.967 20 0 DFADHO C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643520921 430611537 /nfs/dbraw/zinc/61/15/37/430611537.db2.gz CYDRFCSKOFGXJO-MQIPJXDCSA-N 1 3 301.434 2.565 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCNCC2)c(C)c1OC ZINC000643522532 430612910 /nfs/dbraw/zinc/61/29/10/430612910.db2.gz ONTPRGSDDJNSKV-CJNGLKHVSA-N 1 3 306.450 2.675 20 0 DFADHO COc1ccc(C[C@@H](C)N[C@H]2CCC[NH2+]CC2)c(C)c1OC ZINC000643522532 430612914 /nfs/dbraw/zinc/61/29/14/430612914.db2.gz ONTPRGSDDJNSKV-CJNGLKHVSA-N 1 3 306.450 2.675 20 0 DFADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(-n2cncn2)cc1 ZINC000643523445 430613102 /nfs/dbraw/zinc/61/31/02/430613102.db2.gz JFJNMKHDVDTQQW-AWEZNQCLSA-N 1 3 319.412 2.721 20 0 DFADHO CN1CCCC[C@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639345905 430617669 /nfs/dbraw/zinc/61/76/69/430617669.db2.gz CLJPEEFZJXYGJD-MSOLQXFVSA-N 1 3 301.478 2.834 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000639360402 430619754 /nfs/dbraw/zinc/61/97/54/430619754.db2.gz WYHXCCXIYMBZTN-XFWGSAIBSA-N 1 3 314.473 2.912 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000639360402 430619756 /nfs/dbraw/zinc/61/97/56/430619756.db2.gz WYHXCCXIYMBZTN-XFWGSAIBSA-N 1 3 314.473 2.912 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000639360402 430619759 /nfs/dbraw/zinc/61/97/59/430619759.db2.gz WYHXCCXIYMBZTN-XFWGSAIBSA-N 1 3 314.473 2.912 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCN(Cc3c(F)cccc3F)C2)C1 ZINC000571344553 430621874 /nfs/dbraw/zinc/62/18/74/430621874.db2.gz UISNMZDMJSCIGT-KFWWJZLASA-N 1 3 323.431 2.789 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)C1 ZINC000571344553 430621877 /nfs/dbraw/zinc/62/18/77/430621877.db2.gz UISNMZDMJSCIGT-KFWWJZLASA-N 1 3 323.431 2.789 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3scnc3C3CC3)CC2)C1 ZINC000571385704 430624438 /nfs/dbraw/zinc/62/44/38/430624438.db2.gz WXBGPXPADCURQY-HUUCEWRRSA-N 1 3 321.490 2.739 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000643910776 430641885 /nfs/dbraw/zinc/64/18/85/430641885.db2.gz AHZMTGDJCSGZDK-MANSERQUSA-N 1 3 300.446 2.666 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000643910776 430641888 /nfs/dbraw/zinc/64/18/88/430641888.db2.gz AHZMTGDJCSGZDK-MANSERQUSA-N 1 3 300.446 2.666 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000643910776 430641890 /nfs/dbraw/zinc/64/18/90/430641890.db2.gz AHZMTGDJCSGZDK-MANSERQUSA-N 1 3 300.446 2.666 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000572392070 430685862 /nfs/dbraw/zinc/68/58/62/430685862.db2.gz HKGAZYYLNKCIIJ-IXDOHACOSA-N 1 3 323.525 2.911 20 0 DFADHO C[C@@H](CC[NH2+][C@@H]1CCN(C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000361755952 278233839 /nfs/dbraw/zinc/23/38/39/278233839.db2.gz SKGLPIVQOKXOMS-ZIFCJYIRSA-N 1 3 303.494 2.827 20 0 DFADHO C[C@@H]([NH2+]CCCOc1cccc2cccnc21)[C@@H]1CCCNC1 ZINC000572951422 430698197 /nfs/dbraw/zinc/69/81/97/430698197.db2.gz QHOJPGJQLCDNPR-NVXWUHKLSA-N 1 3 313.445 2.981 20 0 DFADHO C[C@@H](NCCCOc1cccc2cccnc21)[C@@H]1CCC[NH2+]C1 ZINC000572951422 430698198 /nfs/dbraw/zinc/69/81/98/430698198.db2.gz QHOJPGJQLCDNPR-NVXWUHKLSA-N 1 3 313.445 2.981 20 0 DFADHO CC(C)(C)OC(=O)CCCCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364653343 278372411 /nfs/dbraw/zinc/37/24/11/278372411.db2.gz DWQSAPNQJUUPNB-BRWVUGGUSA-N 1 3 322.493 2.915 20 0 DFADHO CC(C)(C)OC(=O)CCCCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364653343 278372414 /nfs/dbraw/zinc/37/24/14/278372414.db2.gz DWQSAPNQJUUPNB-BRWVUGGUSA-N 1 3 322.493 2.915 20 0 DFADHO COc1ccc(OC)c(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812243 430743110 /nfs/dbraw/zinc/74/31/10/430743110.db2.gz PHRUNXWPFGDUIE-UHFFFAOYSA-N 1 3 318.461 2.915 20 0 DFADHO C[C@H](CNCCC(=O)Nc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000644525586 430743348 /nfs/dbraw/zinc/74/33/48/430743348.db2.gz BLAAQTHWHIPRFH-CQSZACIVSA-N 1 3 323.868 2.990 20 0 DFADHO C[C@H](C[NH2+]CCC(=O)Nc1cccc(Cl)c1)CN1CCCC1 ZINC000644525586 430743355 /nfs/dbraw/zinc/74/33/55/430743355.db2.gz BLAAQTHWHIPRFH-CQSZACIVSA-N 1 3 323.868 2.990 20 0 DFADHO CC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccsc1 ZINC000651228314 430743589 /nfs/dbraw/zinc/74/35/89/430743589.db2.gz OYYZQPSQNVTSLD-RDJZCZTQSA-N 1 3 307.507 2.957 20 0 DFADHO CCOc1cccc(CNCC2CC[NH+](CC3CC3)CC2)n1 ZINC000657812844 430743818 /nfs/dbraw/zinc/74/38/18/430743818.db2.gz HFARKZSUMLXCEE-UHFFFAOYSA-N 1 3 303.450 2.692 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC000644531952 430746232 /nfs/dbraw/zinc/74/62/32/430746232.db2.gz KRNTWWQYBOZRFJ-OAHLLOKOSA-N 1 3 321.440 2.864 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC000644531952 430746236 /nfs/dbraw/zinc/74/62/36/430746236.db2.gz KRNTWWQYBOZRFJ-OAHLLOKOSA-N 1 3 321.440 2.864 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC000644531952 430746239 /nfs/dbraw/zinc/74/62/39/430746239.db2.gz KRNTWWQYBOZRFJ-OAHLLOKOSA-N 1 3 321.440 2.864 20 0 DFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc2cnccc2o1 ZINC000657833523 430749305 /nfs/dbraw/zinc/74/93/05/430749305.db2.gz UXOHYOUBLQUJPY-CQSZACIVSA-N 1 3 316.449 2.504 20 0 DFADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000644574917 430757212 /nfs/dbraw/zinc/75/72/12/430757212.db2.gz KDNUJJDILLKIGT-DOMZBBRYSA-N 1 3 309.841 2.741 20 0 DFADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2ccc(Cl)cc2)CC[N@H+]1C ZINC000644574917 430757219 /nfs/dbraw/zinc/75/72/19/430757219.db2.gz KDNUJJDILLKIGT-DOMZBBRYSA-N 1 3 309.841 2.741 20 0 DFADHO CC1(C)C[N@H+](CCCO)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664835684 430759743 /nfs/dbraw/zinc/75/97/43/430759743.db2.gz GHFYPLOKWWMFGK-IBGZPJMESA-N 1 3 316.489 2.991 20 0 DFADHO CC1(C)C[N@@H+](CCCO)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664835684 430759748 /nfs/dbraw/zinc/75/97/48/430759748.db2.gz GHFYPLOKWWMFGK-IBGZPJMESA-N 1 3 316.489 2.991 20 0 DFADHO c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000657997276 430783921 /nfs/dbraw/zinc/78/39/21/430783921.db2.gz ARMLHABBUZKWIM-ROUUACIJSA-N 1 3 310.445 2.830 20 0 DFADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCC(C)(C)C(F)(F)F ZINC000644640955 430776415 /nfs/dbraw/zinc/77/64/15/430776415.db2.gz IZDQTMYOIOIDPS-AWEZNQCLSA-N 1 3 318.383 2.657 20 0 DFADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNCC(C)(C)C(F)(F)F ZINC000644640955 430776419 /nfs/dbraw/zinc/77/64/19/430776419.db2.gz IZDQTMYOIOIDPS-AWEZNQCLSA-N 1 3 318.383 2.657 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657969742 430776989 /nfs/dbraw/zinc/77/69/89/430776989.db2.gz UJIYHMZTEVDLBP-QZTJIDSGSA-N 1 3 320.502 2.629 20 0 DFADHO COc1ccccc1[C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106300 430813312 /nfs/dbraw/zinc/81/33/12/430813312.db2.gz BBKQJTYJUHZZTG-HOTGVXAUSA-N 1 3 307.482 2.618 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCSCC3)cc2)C1 ZINC000658136326 430820828 /nfs/dbraw/zinc/82/08/28/430820828.db2.gz HVCJOZWDBMQEPW-QZTJIDSGSA-N 1 3 320.502 2.629 20 0 DFADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCOCC1 ZINC000658166814 430832772 /nfs/dbraw/zinc/83/27/72/430832772.db2.gz PHMBGTGNCVOWBP-INIZCTEOSA-N 1 3 317.477 2.698 20 0 DFADHO COC[C@H](CCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)OC ZINC000658083770 430803015 /nfs/dbraw/zinc/80/30/15/430803015.db2.gz BZUKFVDUWMKQCO-RYQLBKOJSA-N 1 3 312.498 2.671 20 0 DFADHO COC[C@H](CC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1)OC ZINC000658083770 430803021 /nfs/dbraw/zinc/80/30/21/430803021.db2.gz BZUKFVDUWMKQCO-RYQLBKOJSA-N 1 3 312.498 2.671 20 0 DFADHO COC[C@H](CC[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)OC ZINC000658085428 430806863 /nfs/dbraw/zinc/80/68/63/430806863.db2.gz XFBPAFRTGVWVJE-JQHSSLGASA-N 1 3 312.498 2.671 20 0 DFADHO COC[C@H](CCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)OC ZINC000658085428 430806866 /nfs/dbraw/zinc/80/68/66/430806866.db2.gz XFBPAFRTGVWVJE-JQHSSLGASA-N 1 3 312.498 2.671 20 0 DFADHO CO[C@H](C[NH2+]C1CCN(CC(C)C)CC1)Cc1ccccc1 ZINC000648653741 430846674 /nfs/dbraw/zinc/84/66/74/430846674.db2.gz AMRYAOKDRYMZDH-IBGZPJMESA-N 1 3 304.478 2.954 20 0 DFADHO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccc(OCCN(C)C)cc1 ZINC000658250439 430853620 /nfs/dbraw/zinc/85/36/20/430853620.db2.gz FGHPSOLJEXLEGW-BMGDILEWSA-N 1 3 318.461 2.581 20 0 DFADHO c1cc2c(c(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)c1)CCC2 ZINC000651719109 430858181 /nfs/dbraw/zinc/85/81/81/430858181.db2.gz JQMOKUHGWBGJRK-INIZCTEOSA-N 1 3 314.473 2.766 20 0 DFADHO C[C@@H](NCC1([NH3+])CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000665249767 430867372 /nfs/dbraw/zinc/86/73/72/430867372.db2.gz YTQCTAMTHCNITR-OAHLLOKOSA-N 1 3 305.466 2.549 20 0 DFADHO COc1ccc(C[C@H](C)NCC2([NH3+])CCCC2)c(C)c1OC ZINC000665246391 430867785 /nfs/dbraw/zinc/86/77/85/430867785.db2.gz DEILKJBOCSZCQQ-ZDUSSCGKSA-N 1 3 306.450 2.804 20 0 DFADHO Cc1ncsc1CC[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000648722542 430868615 /nfs/dbraw/zinc/86/86/15/430868615.db2.gz DRRCCFSLUHKIEQ-UHFFFAOYSA-N 1 3 319.474 2.724 20 0 DFADHO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000665257523 430873549 /nfs/dbraw/zinc/87/35/49/430873549.db2.gz LVWIQGNWNYWYOT-MOIQIXESSA-N 1 3 306.425 2.676 20 0 DFADHO COCc1csc(CN[C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000665263643 430874635 /nfs/dbraw/zinc/87/46/35/430874635.db2.gz QWCCPTNXYUANLN-LLVKDONJSA-N 1 3 305.447 2.907 20 0 DFADHO Fc1ccc2c(c1)OC[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000665266693 430876348 /nfs/dbraw/zinc/87/63/48/430876348.db2.gz HXJLBKQDROITTA-WCXIOVBPSA-N 1 3 304.409 2.640 20 0 DFADHO C[C@]1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1(F)F ZINC000665267523 430876677 /nfs/dbraw/zinc/87/66/77/430876677.db2.gz YHBWDPQQUXNEDS-BMFZPTHFSA-N 1 3 308.372 2.877 20 0 DFADHO COc1ccccc1-c1cc(CNC2CCC(C[NH3+])CC2)on1 ZINC000665299305 430889600 /nfs/dbraw/zinc/88/96/00/430889600.db2.gz KEKPSSPNCNLEFH-UHFFFAOYSA-N 1 3 315.417 2.957 20 0 DFADHO C[C@H](NCC1CC[NH+](CC2CC2)CC1)c1cc2n(n1)CCCC2 ZINC000658353746 430882662 /nfs/dbraw/zinc/88/26/62/430882662.db2.gz QXNHIQCMDJMQNP-HNNXBMFYSA-N 1 3 316.493 2.992 20 0 DFADHO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)C1CNC1 ZINC000665283048 430882924 /nfs/dbraw/zinc/88/29/24/430882924.db2.gz GNBJGKIQKQHIBL-IAQYHMDHSA-N 1 3 311.267 2.968 20 0 DFADHO CC[C@H](Cc1ccc(Br)cc1)N[C@H](C)C1C[NH2+]C1 ZINC000665283048 430882928 /nfs/dbraw/zinc/88/29/28/430882928.db2.gz GNBJGKIQKQHIBL-IAQYHMDHSA-N 1 3 311.267 2.968 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC000648768106 430885369 /nfs/dbraw/zinc/88/53/69/430885369.db2.gz PZKMQKYJOPYSMA-ZMSDIMECSA-N 1 3 317.477 2.572 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000648768106 430885373 /nfs/dbraw/zinc/88/53/73/430885373.db2.gz PZKMQKYJOPYSMA-ZMSDIMECSA-N 1 3 317.477 2.572 20 0 DFADHO CC(C)CN(C)CCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000651865613 430896713 /nfs/dbraw/zinc/89/67/13/430896713.db2.gz ANKZJQVOPSHXML-UHFFFAOYSA-N 1 3 309.420 2.581 20 0 DFADHO CC(C)C[N@H+](C)CCCNC1CCN(CC(F)(F)F)CC1 ZINC000651865613 430896717 /nfs/dbraw/zinc/89/67/17/430896717.db2.gz ANKZJQVOPSHXML-UHFFFAOYSA-N 1 3 309.420 2.581 20 0 DFADHO CC(C)C[N@@H+](C)CCCNC1CCN(CC(F)(F)F)CC1 ZINC000651865613 430896722 /nfs/dbraw/zinc/89/67/22/430896722.db2.gz ANKZJQVOPSHXML-UHFFFAOYSA-N 1 3 309.420 2.581 20 0 DFADHO CC1(C)COC[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648795030 430896879 /nfs/dbraw/zinc/89/68/79/430896879.db2.gz YPXPKLRMBAGIBP-GOSISDBHSA-N 1 3 318.461 2.676 20 0 DFADHO CC(C)CN(C)CCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000651865973 430898547 /nfs/dbraw/zinc/89/85/47/430898547.db2.gz PDGXUGWNEXTGEA-UHFFFAOYSA-N 1 3 310.511 2.679 20 0 DFADHO CC(C)C[N@H+](C)CCCNC1CCN(c2nccs2)CC1 ZINC000651865973 430898552 /nfs/dbraw/zinc/89/85/52/430898552.db2.gz PDGXUGWNEXTGEA-UHFFFAOYSA-N 1 3 310.511 2.679 20 0 DFADHO CC(C)C[N@@H+](C)CCCNC1CCN(c2nccs2)CC1 ZINC000651865973 430898557 /nfs/dbraw/zinc/89/85/57/430898557.db2.gz PDGXUGWNEXTGEA-UHFFFAOYSA-N 1 3 310.511 2.679 20 0 DFADHO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000648855033 430915371 /nfs/dbraw/zinc/91/53/71/430915371.db2.gz CNTCRAGNPJZRFQ-QZTJIDSGSA-N 1 3 306.450 2.674 20 0 DFADHO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000651950644 430924106 /nfs/dbraw/zinc/92/41/06/430924106.db2.gz JOERRLUHJAUUST-QZTJIDSGSA-N 1 3 306.450 2.674 20 0 DFADHO CCC(C)(C)N1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000655272663 430946743 /nfs/dbraw/zinc/94/67/43/430946743.db2.gz VPIWAROEDQOSCI-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000655353280 430972804 /nfs/dbraw/zinc/97/28/04/430972804.db2.gz SLUVHIDUZWIBGP-KURKYZTESA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000655353280 430972809 /nfs/dbraw/zinc/97/28/09/430972809.db2.gz SLUVHIDUZWIBGP-KURKYZTESA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000655353282 430972888 /nfs/dbraw/zinc/97/28/88/430972888.db2.gz SLUVHIDUZWIBGP-SQNIBIBYSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000655353282 430972893 /nfs/dbraw/zinc/97/28/93/430972893.db2.gz SLUVHIDUZWIBGP-SQNIBIBYSA-N 1 3 319.493 2.527 20 0 DFADHO CCCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000648996657 430963494 /nfs/dbraw/zinc/96/34/94/430963494.db2.gz XLRDWZBSOCKJRE-QZTJIDSGSA-N 1 3 317.477 2.622 20 0 DFADHO CCCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(C)C1 ZINC000648998209 430964721 /nfs/dbraw/zinc/96/47/21/430964721.db2.gz GVXMHIILXPPHDB-WMZOPIPTSA-N 1 3 321.509 2.584 20 0 DFADHO CCCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(C)C1 ZINC000648998209 430964727 /nfs/dbraw/zinc/96/47/27/430964727.db2.gz GVXMHIILXPPHDB-WMZOPIPTSA-N 1 3 321.509 2.584 20 0 DFADHO NC1(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC2(CCC2)C1 ZINC000659308491 431019650 /nfs/dbraw/zinc/01/96/50/431019650.db2.gz UILQVLNTCXJILW-QGZVFWFLSA-N 1 3 323.440 2.617 20 0 DFADHO Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662258108 431019737 /nfs/dbraw/zinc/01/97/37/431019737.db2.gz SCGYBKRWJNMUNQ-QZTJIDSGSA-N 1 3 300.446 2.523 20 0 DFADHO Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662258108 431019740 /nfs/dbraw/zinc/01/97/40/431019740.db2.gz SCGYBKRWJNMUNQ-QZTJIDSGSA-N 1 3 300.446 2.523 20 0 DFADHO Cc1cccc(C2([NH2+]C[C@@H]3CCC4(CNC4)O3)CCCC2)c1 ZINC000662258596 431019957 /nfs/dbraw/zinc/01/99/57/431019957.db2.gz KVFBESMWEXAABN-KRWDZBQOSA-N 1 3 300.446 2.875 20 0 DFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2NCC2(C)C)cc1 ZINC000645551001 431030889 /nfs/dbraw/zinc/03/08/89/431030889.db2.gz CGMGGVMORNYBPO-WMLDXEAASA-N 1 3 315.461 2.998 20 0 DFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2NCC2(C)C)cc1 ZINC000645551001 431030892 /nfs/dbraw/zinc/03/08/92/431030892.db2.gz CGMGGVMORNYBPO-WMLDXEAASA-N 1 3 315.461 2.998 20 0 DFADHO C[C@H]1CCCN(CCc2nc(-c3ccccc3)no2)[C@H]1CC[NH3+] ZINC000652355198 431030945 /nfs/dbraw/zinc/03/09/45/431030945.db2.gz QUCIVOOZCCGHCZ-HOCLYGCPSA-N 1 3 314.433 2.728 20 0 DFADHO CCn1cc(CN(Cc2ccc3c(c2)C[NH2+]CC3)C(C)C)cn1 ZINC000652358414 431031554 /nfs/dbraw/zinc/03/15/54/431031554.db2.gz BHOBAHDVOHFUFV-UHFFFAOYSA-N 1 3 312.461 2.959 20 0 DFADHO c1ccc([C@@H]2C[C@H]3[C@H](CCCN3CC[C@H]3CC[NH2+]C3)O2)cc1 ZINC000652364263 431031965 /nfs/dbraw/zinc/03/19/65/431031965.db2.gz BUOBUQJGFKPILF-BVBHFADKSA-N 1 3 300.446 2.981 20 0 DFADHO CC(C)c1cccc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000662282633 431032060 /nfs/dbraw/zinc/03/20/60/431032060.db2.gz PNSXQTRLBTZZAV-GOSISDBHSA-N 1 3 313.449 2.697 20 0 DFADHO CC(C)c1cccc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000662282633 431032067 /nfs/dbraw/zinc/03/20/67/431032067.db2.gz PNSXQTRLBTZZAV-GOSISDBHSA-N 1 3 313.449 2.697 20 0 DFADHO COc1cccc(OCCN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662295407 431038310 /nfs/dbraw/zinc/03/83/10/431038310.db2.gz ZXVRRPXFPBDUQX-KRWDZBQOSA-N 1 3 318.461 2.786 20 0 DFADHO Fc1ccccc1CN(CC1CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662310254 431041696 /nfs/dbraw/zinc/04/16/96/431041696.db2.gz IYJMJPMSCOUUEV-INIZCTEOSA-N 1 3 304.409 2.559 20 0 DFADHO C[C@@H]1CCCN(CC(=O)N[C@H]2CCCC[C@H]2C)[C@@H]1CCC[NH3+] ZINC000662313353 431044352 /nfs/dbraw/zinc/04/43/52/431044352.db2.gz LAFLMMPSZPVKAL-WCXIOVBPSA-N 1 3 309.498 2.521 20 0 DFADHO CN(C)C[C@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000662356150 431056260 /nfs/dbraw/zinc/05/62/60/431056260.db2.gz NCHXPQHCRGYXOS-OALUTQOASA-N 1 3 323.440 2.640 20 0 DFADHO CC(C)([NH3+])CCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000649293800 431058454 /nfs/dbraw/zinc/05/84/54/431058454.db2.gz JDYFRPJMRSHZFT-KRWDZBQOSA-N 1 3 317.477 2.847 20 0 DFADHO C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000662375662 431063852 /nfs/dbraw/zinc/06/38/52/431063852.db2.gz QYJLGYFIUSWHQA-SFHVURJKSA-N 1 3 309.413 2.921 20 0 DFADHO C[NH2+]CC1CCN(CCSc2ccc(F)cc2F)CC1 ZINC000662247541 431013400 /nfs/dbraw/zinc/01/34/00/431013400.db2.gz XCMRWSZRMZUYFA-UHFFFAOYSA-N 1 3 300.418 2.988 20 0 DFADHO c1ccc(CC[C@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662251106 431014566 /nfs/dbraw/zinc/01/45/66/431014566.db2.gz YWUUMXVSCNPRPH-MSOLQXFVSA-N 1 3 300.446 2.605 20 0 DFADHO c1ccc(CC[C@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662251106 431014571 /nfs/dbraw/zinc/01/45/71/431014571.db2.gz YWUUMXVSCNPRPH-MSOLQXFVSA-N 1 3 300.446 2.605 20 0 DFADHO C[C@@H]1SCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]1c1ccccc1 ZINC000662254975 431017035 /nfs/dbraw/zinc/01/70/35/431017035.db2.gz NDDBVYOZPUSBGL-BHYGNILZSA-N 1 3 318.486 2.686 20 0 DFADHO C[N@H+](CCCOc1ccc(Cl)cc1)C[C@H]1CCC2(CNC2)O1 ZINC000662254002 431017110 /nfs/dbraw/zinc/01/71/10/431017110.db2.gz YCLYAIVDCHMBEN-MRXNPFEDSA-N 1 3 324.852 2.562 20 0 DFADHO C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@H]1CCC2(CNC2)O1 ZINC000662254002 431017112 /nfs/dbraw/zinc/01/71/12/431017112.db2.gz YCLYAIVDCHMBEN-MRXNPFEDSA-N 1 3 324.852 2.562 20 0 DFADHO C[C@H]([NH2+]CCC1(CO)CCC1)c1cccc(OCCN(C)C)c1 ZINC000652310446 431017688 /nfs/dbraw/zinc/01/76/88/431017688.db2.gz HBWTWJBUVATOJB-INIZCTEOSA-N 1 3 320.477 2.830 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662419274 431075923 /nfs/dbraw/zinc/07/59/23/431075923.db2.gz XSDXFYJQMCFFSX-SFHVURJKSA-N 1 3 315.461 2.602 20 0 DFADHO C[N@H+](CCNC(=O)C[C@H]1NCc2ccccc21)C1CCCCC1 ZINC000662414503 431076282 /nfs/dbraw/zinc/07/62/82/431076282.db2.gz AEPMHEAYDHJPOA-GOSISDBHSA-N 1 3 315.461 2.602 20 0 DFADHO C[N@@H+](CCNC(=O)C[C@H]1NCc2ccccc21)C1CCCCC1 ZINC000662414503 431076285 /nfs/dbraw/zinc/07/62/85/431076285.db2.gz AEPMHEAYDHJPOA-GOSISDBHSA-N 1 3 315.461 2.602 20 0 DFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1CNC2 ZINC000662428490 431080127 /nfs/dbraw/zinc/08/01/27/431080127.db2.gz CICPVJZLEQZAPS-INIZCTEOSA-N 1 3 315.461 2.674 20 0 DFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1CNC2 ZINC000662428490 431080130 /nfs/dbraw/zinc/08/01/30/431080130.db2.gz CICPVJZLEQZAPS-INIZCTEOSA-N 1 3 315.461 2.674 20 0 DFADHO Cc1cc2c(c(C)c1)[C@H]([NH2+]C1CCN(CCN(C)C)CC1)CC2 ZINC000655687459 431083196 /nfs/dbraw/zinc/08/31/96/431083196.db2.gz POWNZROUQHKCLL-LJQANCHMSA-N 1 3 315.505 2.906 20 0 DFADHO Cc1cc2c(c(C)c1)[C@H]([NH2+]CCCCN1CCN(C)CC1)CC2 ZINC000655688882 431083844 /nfs/dbraw/zinc/08/38/44/431083844.db2.gz PDRBLPSPEDGBIM-LJQANCHMSA-N 1 3 315.505 2.908 20 0 DFADHO CCN(C(=O)C[NH2+]C(C)C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000662503821 431099440 /nfs/dbraw/zinc/09/94/40/431099440.db2.gz XWWBWKUZLATXOL-WMZOPIPTSA-N 1 3 317.477 2.668 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662523654 431104777 /nfs/dbraw/zinc/10/47/77/431104777.db2.gz QHZVCSCAIVPWRI-MAUKXSAKSA-N 1 3 317.477 2.848 20 0 DFADHO c1ccc(C[N@@H+]2C[C@H]3CN(CCC[C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000645895804 431104918 /nfs/dbraw/zinc/10/49/18/431104918.db2.gz NGSUYTMTXQVXOO-AQNXPRMDSA-N 1 3 314.473 2.867 20 0 DFADHO c1ccc(C[N@H+]2C[C@H]3CN(CCC[C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000645895804 431104924 /nfs/dbraw/zinc/10/49/24/431104924.db2.gz NGSUYTMTXQVXOO-AQNXPRMDSA-N 1 3 314.473 2.867 20 0 DFADHO CC[N@H+](C)C[C@@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000271257886 279037168 /nfs/dbraw/zinc/03/71/68/279037168.db2.gz HNKQEPZMTJAWNK-RBUKOAKNSA-N 1 3 301.478 2.535 20 0 DFADHO CC[N@@H+](C)C[C@@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000271257886 279037169 /nfs/dbraw/zinc/03/71/69/279037169.db2.gz HNKQEPZMTJAWNK-RBUKOAKNSA-N 1 3 301.478 2.535 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H]1COC2(CCCCCC2)O1 ZINC000180010784 288107125 /nfs/dbraw/zinc/10/71/25/288107125.db2.gz NAYABOAAYANNEZ-QBPKDAKJSA-N 1 3 310.482 2.771 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1COC2(CCCCCC2)O1 ZINC000180010784 288107127 /nfs/dbraw/zinc/10/71/27/288107127.db2.gz NAYABOAAYANNEZ-QBPKDAKJSA-N 1 3 310.482 2.771 20 0 DFADHO CCCC[N@H+](C)CC1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000659847742 431140444 /nfs/dbraw/zinc/14/04/44/431140444.db2.gz QMQLGFYMFZRSEK-HNNXBMFYSA-N 1 3 304.425 2.855 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000659847742 431140452 /nfs/dbraw/zinc/14/04/52/431140452.db2.gz QMQLGFYMFZRSEK-HNNXBMFYSA-N 1 3 304.425 2.855 20 0 DFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000662693685 431164512 /nfs/dbraw/zinc/16/45/12/431164512.db2.gz LJFKOMIRLJXRNA-BQFCYCMXSA-N 1 3 317.477 2.559 20 0 DFADHO C[N@H+](CCO)C1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659897272 431177868 /nfs/dbraw/zinc/17/78/68/431177868.db2.gz UEXHZVAXYHIDJC-IEBWSBKVSA-N 1 3 316.489 2.959 20 0 DFADHO C[N@@H+](CCO)C1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659897272 431177875 /nfs/dbraw/zinc/17/78/75/431177875.db2.gz UEXHZVAXYHIDJC-IEBWSBKVSA-N 1 3 316.489 2.959 20 0 DFADHO COc1ccc(C2CC[NH+](CC[C@@H]3CCCN3C)CC2)nc1 ZINC000649651336 431216055 /nfs/dbraw/zinc/21/60/55/431216055.db2.gz HGBYGHYUHNHVJV-INIZCTEOSA-N 1 3 303.450 2.754 20 0 DFADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)[C@@H](C)O1 ZINC000666429289 431226315 /nfs/dbraw/zinc/22/63/15/431226315.db2.gz KWHGEMNLNVWXGI-INMHGKMJSA-N 1 3 306.450 2.530 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000653152283 431284787 /nfs/dbraw/zinc/28/47/87/431284787.db2.gz HVRLLGYIRJASDK-IRXDYDNUSA-N 1 3 301.434 2.526 20 0 DFADHO CC(C)c1nn(C)c(N(C)C)c1CNC(C)(C)CCC[NH+](C)C ZINC000649780381 431289875 /nfs/dbraw/zinc/28/98/75/431289875.db2.gz OBWJRRGEOFDJKH-UHFFFAOYSA-N 1 3 323.529 2.820 20 0 DFADHO [NH3+]C1(CC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CCC1 ZINC000646408757 431299403 /nfs/dbraw/zinc/29/94/03/431299403.db2.gz GMKQSXQKMMSFCB-QGZVFWFLSA-N 1 3 315.461 2.601 20 0 DFADHO CCN(CC)C(=O)c1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000656197127 431304630 /nfs/dbraw/zinc/30/46/30/431304630.db2.gz GPKUMDCGGHSLHO-SJORKVTESA-N 1 3 303.450 2.528 20 0 DFADHO CC[C@H](NCc1cc(C2CC[NH2+]CC2)no1)[C@H]1CCCCO1 ZINC000656201261 431305130 /nfs/dbraw/zinc/30/51/30/431305130.db2.gz MQXPRQRGMKXYKR-DOTOQJQBSA-N 1 3 307.438 2.579 20 0 DFADHO C[NH2+]Cc1ccccc1NCc1ccc(OCCN(C)C)cc1 ZINC000666810237 431367700 /nfs/dbraw/zinc/36/77/00/431367700.db2.gz MRFQFVHETQMFAR-UHFFFAOYSA-N 1 3 313.445 2.959 20 0 DFADHO C[C@@H]1C[C@@H](CN2CCN(c3ccccc3F)C[C@H]2C)CC[NH2+]1 ZINC000666699157 431329998 /nfs/dbraw/zinc/32/99/98/431329998.db2.gz XJFYLDRQGAYARJ-OAGGEKHMSA-N 1 3 305.441 2.724 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)C[C@@H](C)O1 ZINC000186927909 288153136 /nfs/dbraw/zinc/15/31/36/288153136.db2.gz GKHGVYZBVCBQIK-NUJGCVRESA-N 1 3 324.509 2.765 20 0 DFADHO CC(C)CNC(=O)CCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000660256000 431344089 /nfs/dbraw/zinc/34/40/89/431344089.db2.gz HNAIASHCISRPFK-DLBZAZTESA-N 1 3 323.525 2.781 20 0 DFADHO Cc1cc(NCC23CC(C2)C[NH2+]3)c2cc(OC(F)F)ccc2n1 ZINC000663274387 431349735 /nfs/dbraw/zinc/34/97/35/431349735.db2.gz PQXXVVJIDZMBBI-UHFFFAOYSA-N 1 3 319.355 2.730 20 0 DFADHO CC(C)c1cccc(C[NH2+]CCCCN2CCN(C)CC2)c1 ZINC000663314475 431358824 /nfs/dbraw/zinc/35/88/24/431358824.db2.gz HMKNTUUJCQBASE-UHFFFAOYSA-N 1 3 303.494 2.927 20 0 DFADHO COc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)cc1OCC(C)C ZINC000666951030 431418571 /nfs/dbraw/zinc/41/85/71/431418571.db2.gz XKBCJQSSGXSMHE-GOSISDBHSA-N 1 3 318.461 2.962 20 0 DFADHO CCOc1c(Cl)cc(CN[C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666951005 431419510 /nfs/dbraw/zinc/41/95/10/431419510.db2.gz WGNVEQDSACQJFM-OAHLLOKOSA-N 1 3 324.852 2.979 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[C@H](C)O1 ZINC000245902525 288161037 /nfs/dbraw/zinc/16/10/37/288161037.db2.gz OBAZCYPDKLYCOL-IGKNDFSCSA-N 1 3 324.509 2.669 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+]CCc3ccc(Cl)cc3)C2)CC1 ZINC000656499024 431410608 /nfs/dbraw/zinc/41/06/08/431410608.db2.gz BBEBSMADTPYHEX-QGZVFWFLSA-N 1 3 321.896 2.641 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+]CCc3ccc(Cl)cc3)C2)CC1 ZINC000656499023 431411695 /nfs/dbraw/zinc/41/16/95/431411695.db2.gz BBEBSMADTPYHEX-KRWDZBQOSA-N 1 3 321.896 2.641 20 0 DFADHO c1cc(CCC[NH2+][C@@H]2CCNC3(CCC3)C2)cc2c1OCC2 ZINC000666993959 431437725 /nfs/dbraw/zinc/43/77/25/431437725.db2.gz WNHHEKMHXVOCHD-QGZVFWFLSA-N 1 3 300.446 2.818 20 0 DFADHO c1cc(CCCN[C@@H]2CC[NH2+]C3(CCC3)C2)cc2c1OCC2 ZINC000666993959 431437731 /nfs/dbraw/zinc/43/77/31/431437731.db2.gz WNHHEKMHXVOCHD-QGZVFWFLSA-N 1 3 300.446 2.818 20 0 DFADHO CCc1noc(C2CCC([NH2+][C@H]3CCNC4(CCC4)C3)CC2)n1 ZINC000666995309 431438213 /nfs/dbraw/zinc/43/82/13/431438213.db2.gz JZAVPYNZNDWXTN-NRXISQOPSA-N 1 3 318.465 2.923 20 0 DFADHO C[C@@H]1C[NH2+]CC[C@H]1CN1CCNC[C@H]1c1ccccc1Cl ZINC000663495251 431442545 /nfs/dbraw/zinc/44/25/45/431442545.db2.gz WIEIYBDPNLAMBV-KEYYUXOJSA-N 1 3 307.869 2.532 20 0 DFADHO C[C@@H]([NH2+]CCCc1cncn1C)[C@@H]1CCCN(C2CCC2)C1 ZINC000653614042 431460484 /nfs/dbraw/zinc/46/04/84/431460484.db2.gz LKKGGVJGPKWZSL-HZPDHXFCSA-N 1 3 304.482 2.595 20 0 DFADHO COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468546 431434941 /nfs/dbraw/zinc/43/49/41/431434941.db2.gz MATGOLHQVBCHJI-VQTJNVASSA-N 1 3 316.489 2.956 20 0 DFADHO COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468545 431435312 /nfs/dbraw/zinc/43/53/12/431435312.db2.gz MATGOLHQVBCHJI-UXHICEINSA-N 1 3 316.489 2.956 20 0 DFADHO c1cc(CCC[NH2+][C@H]2CCNC3(CCC3)C2)cc2c1OCC2 ZINC000666993958 431437023 /nfs/dbraw/zinc/43/70/23/431437023.db2.gz WNHHEKMHXVOCHD-KRWDZBQOSA-N 1 3 300.446 2.818 20 0 DFADHO c1cc(CCCN[C@H]2CC[NH2+]C3(CCC3)C2)cc2c1OCC2 ZINC000666993958 431437029 /nfs/dbraw/zinc/43/70/29/431437029.db2.gz WNHHEKMHXVOCHD-KRWDZBQOSA-N 1 3 300.446 2.818 20 0 DFADHO COc1cccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1OC ZINC000656785941 431522265 /nfs/dbraw/zinc/52/22/65/431522265.db2.gz NOFNCOFQLYZXQC-MRXNPFEDSA-N 1 3 318.461 2.915 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000660649232 431528887 /nfs/dbraw/zinc/52/88/87/431528887.db2.gz GLGVOHNAXSFMAY-NEPXVJNWSA-N 1 3 304.478 2.954 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000660649232 431528890 /nfs/dbraw/zinc/52/88/90/431528890.db2.gz GLGVOHNAXSFMAY-NEPXVJNWSA-N 1 3 304.478 2.954 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000660649233 431528927 /nfs/dbraw/zinc/52/89/27/431528927.db2.gz GLGVOHNAXSFMAY-ZAWLATJESA-N 1 3 304.478 2.954 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000660649233 431528932 /nfs/dbraw/zinc/52/89/32/431528932.db2.gz GLGVOHNAXSFMAY-ZAWLATJESA-N 1 3 304.478 2.954 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000660649231 431529266 /nfs/dbraw/zinc/52/92/66/431529266.db2.gz GLGVOHNAXSFMAY-KCITZHQASA-N 1 3 304.478 2.954 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000660649231 431529272 /nfs/dbraw/zinc/52/92/72/431529272.db2.gz GLGVOHNAXSFMAY-KCITZHQASA-N 1 3 304.478 2.954 20 0 DFADHO CC[NH+](CC)CCOc1ccccc1CN[C@H]1CO[C@H](C)C1 ZINC000647171912 431492573 /nfs/dbraw/zinc/49/25/73/431492573.db2.gz AEFXEXMWNSBCTM-NVXWUHKLSA-N 1 3 306.450 2.674 20 0 DFADHO CCOc1ccc(OCC[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000660652544 431532131 /nfs/dbraw/zinc/53/21/31/431532131.db2.gz KBRBNNOIZGBHSA-IBGZPJMESA-N 1 3 318.461 2.882 20 0 DFADHO CCOc1ccc(OCC[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000660652544 431532134 /nfs/dbraw/zinc/53/21/34/431532134.db2.gz KBRBNNOIZGBHSA-IBGZPJMESA-N 1 3 318.461 2.882 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000653762171 431515767 /nfs/dbraw/zinc/51/57/67/431515767.db2.gz YYAQTPDWZMGZSF-ROUUACIJSA-N 1 3 302.462 2.569 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000653762171 431515772 /nfs/dbraw/zinc/51/57/72/431515772.db2.gz YYAQTPDWZMGZSF-ROUUACIJSA-N 1 3 302.462 2.569 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C)N1CCCCC1 ZINC000377662074 280149055 /nfs/dbraw/zinc/14/90/55/280149055.db2.gz LVFPJNBWKOZATK-OKZBNKHCSA-N 1 3 321.509 2.582 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C)N1CCCCC1 ZINC000377662074 280149059 /nfs/dbraw/zinc/14/90/59/280149059.db2.gz LVFPJNBWKOZATK-OKZBNKHCSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](C1CC1)N(C)C ZINC000360414202 288217755 /nfs/dbraw/zinc/21/77/55/288217755.db2.gz ORYFURPKKPLSBW-LSTHTHJFSA-N 1 3 315.505 2.827 20 0 DFADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000366821291 280330458 /nfs/dbraw/zinc/33/04/58/280330458.db2.gz IBSPYXAPSAEVRR-MJQMVNBJSA-N 1 3 307.526 2.959 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN(C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000660774845 431593073 /nfs/dbraw/zinc/59/30/73/431593073.db2.gz BZTOEMVGMRHHDV-IPMKNSEASA-N 1 3 304.478 2.956 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000660774845 431593078 /nfs/dbraw/zinc/59/30/78/431593078.db2.gz BZTOEMVGMRHHDV-IPMKNSEASA-N 1 3 304.478 2.956 20 0 DFADHO OC(CN1CCC[C@H]2CCC[C@@H]21)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000181800976 280398331 /nfs/dbraw/zinc/39/83/31/280398331.db2.gz UKVPWJUNWRTQRK-SCIMBWJRSA-N 1 3 306.494 2.876 20 0 DFADHO OC(CN1CCC[C@H]2CCC[C@@H]21)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000181800976 280398334 /nfs/dbraw/zinc/39/83/34/280398334.db2.gz UKVPWJUNWRTQRK-SCIMBWJRSA-N 1 3 306.494 2.876 20 0 DFADHO OC(CN1CCC[C@H]2CCC[C@H]21)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000181800976 280398337 /nfs/dbraw/zinc/39/83/37/280398337.db2.gz UKVPWJUNWRTQRK-SCIMBWJRSA-N 1 3 306.494 2.876 20 0 DFADHO OC(CN1CCC[C@H]2CCC[C@H]21)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000181800976 280398338 /nfs/dbraw/zinc/39/83/38/280398338.db2.gz UKVPWJUNWRTQRK-SCIMBWJRSA-N 1 3 306.494 2.876 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN(C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000660774844 431591641 /nfs/dbraw/zinc/59/16/41/431591641.db2.gz BZTOEMVGMRHHDV-GBESFXJTSA-N 1 3 304.478 2.956 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000660774844 431591642 /nfs/dbraw/zinc/59/16/42/431591642.db2.gz BZTOEMVGMRHHDV-GBESFXJTSA-N 1 3 304.478 2.956 20 0 DFADHO Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1F ZINC000650707136 431653612 /nfs/dbraw/zinc/65/36/12/431653612.db2.gz ZGXSVDBAQKJXOP-BQFCYCMXSA-N 1 3 306.425 2.852 20 0 DFADHO NC[C@]12CCC[C@H]1C[N@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC000650709820 431655857 /nfs/dbraw/zinc/65/58/57/431655857.db2.gz RVOVRUKVOKHSNP-HKUYNNGSSA-N 1 3 300.446 2.615 20 0 DFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC000650709820 431655860 /nfs/dbraw/zinc/65/58/60/431655860.db2.gz RVOVRUKVOKHSNP-HKUYNNGSSA-N 1 3 300.446 2.615 20 0 DFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c(-c2cnn(C)c2)c1 ZINC000650709531 431656545 /nfs/dbraw/zinc/65/65/45/431656545.db2.gz DOLNGPQMUUCMOJ-ICSRJNTNSA-N 1 3 324.472 2.956 20 0 DFADHO Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c(-c2cnn(C)c2)c1 ZINC000650709531 431656551 /nfs/dbraw/zinc/65/65/51/431656551.db2.gz DOLNGPQMUUCMOJ-ICSRJNTNSA-N 1 3 324.472 2.956 20 0 DFADHO Cc1nn(C(C)C)cc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544352 431624864 /nfs/dbraw/zinc/62/48/64/431624864.db2.gz ZEXKGCFCAKFSBH-SJORKVTESA-N 1 3 304.482 2.984 20 0 DFADHO Cc1cccc2ncc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n21 ZINC000647543103 431625825 /nfs/dbraw/zinc/62/58/25/431625825.db2.gz HRQCFMRTTCARBE-IRXDYDNUSA-N 1 3 312.461 2.854 20 0 DFADHO CCOc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543423 431626418 /nfs/dbraw/zinc/62/64/18/431626418.db2.gz NDZHTBXXEZKQLQ-HZPDHXFCSA-N 1 3 303.450 2.692 20 0 DFADHO C[NH2+]Cc1ccccc1CNCc1ccc(C(=O)NC2CC2)cc1 ZINC000650718181 431661091 /nfs/dbraw/zinc/66/10/91/431661091.db2.gz ARZSOEUMNBYVDA-UHFFFAOYSA-N 1 3 323.440 2.588 20 0 DFADHO CCN(CC)CCC[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(CC)c1 ZINC000657283846 431647628 /nfs/dbraw/zinc/64/76/28/431647628.db2.gz IHOQVYKPEGJFFH-FUHWJXTLSA-N 1 3 322.497 2.692 20 0 DFADHO CCn1cc([C@@H]2OCCC[C@H]2CNCCC[NH+](CC)CC)cn1 ZINC000657283846 431647635 /nfs/dbraw/zinc/64/76/35/431647635.db2.gz IHOQVYKPEGJFFH-FUHWJXTLSA-N 1 3 322.497 2.692 20 0 DFADHO CCc1ncc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723338 431664769 /nfs/dbraw/zinc/66/47/69/431664769.db2.gz LUBUNKUCPJYZAG-NWANDNLSSA-N 1 3 309.479 2.566 20 0 DFADHO COc1ccccc1CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650721881 431664932 /nfs/dbraw/zinc/66/49/32/431664932.db2.gz FAHWYICYRCWSDP-LZLYRXPVSA-N 1 3 304.434 2.556 20 0 DFADHO Cc1ccc(F)c(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650723539 431665331 /nfs/dbraw/zinc/66/53/31/431665331.db2.gz PUMMCHHHDPNZAD-NXHRZFHOSA-N 1 3 306.425 2.995 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2scnc2C2CC2)C1 ZINC000650725212 431669247 /nfs/dbraw/zinc/66/92/47/431669247.db2.gz VVILKLVHRLHUJR-ILXRZTDVSA-N 1 3 321.490 2.881 20 0 DFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cnn3c2CCC3)C1 ZINC000657312912 431670212 /nfs/dbraw/zinc/67/02/12/431670212.db2.gz MCYZHWSOXVHYKG-HOTGVXAUSA-N 1 3 304.482 2.677 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000650741900 431674942 /nfs/dbraw/zinc/67/49/42/431674942.db2.gz NUENTJLUKFAFJW-UURKPOQGSA-N 1 3 300.446 2.598 20 0 DFADHO Fc1cccc(OC(F)F)c1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647789319 431686777 /nfs/dbraw/zinc/68/67/77/431686777.db2.gz APFZPFKLDVLQOY-IJLUTSLNSA-N 1 3 314.351 2.905 20 0 DFADHO COc1c2ccccc2oc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647795889 431689723 /nfs/dbraw/zinc/68/97/23/431689723.db2.gz YWCWJYQTEAQNQY-BFHYXJOUSA-N 1 3 300.402 2.919 20 0 DFADHO O[C@H]1CCN(Cc2ccc(CNc3[nH+]ccc4[nH]ccc43)cc2)C1 ZINC000664234768 431709978 /nfs/dbraw/zinc/70/99/78/431709978.db2.gz AMWYJJZMKKZCQT-INIZCTEOSA-N 1 3 322.412 2.742 20 0 DFADHO C[NH2+]Cc1ccccc1CNCc1ccc(N2CCCC2)nc1 ZINC000650719689 431663150 /nfs/dbraw/zinc/66/31/50/431663150.db2.gz ZHDARHVMIWIDLK-UHFFFAOYSA-N 1 3 310.445 2.691 20 0 DFADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)c1 ZINC000664314419 431734423 /nfs/dbraw/zinc/73/44/23/431734423.db2.gz KJWFGVRDXBERFH-INIZCTEOSA-N 1 3 320.481 2.697 20 0 DFADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)c1 ZINC000664314419 431734426 /nfs/dbraw/zinc/73/44/26/431734426.db2.gz KJWFGVRDXBERFH-INIZCTEOSA-N 1 3 320.481 2.697 20 0 DFADHO COc1cc(CN(C)CCCC2CC[NH2+]CC2)cc(OC)c1 ZINC000647879540 431715709 /nfs/dbraw/zinc/71/57/09/431715709.db2.gz JIBJXHDQNVBQIU-UHFFFAOYSA-N 1 3 306.450 2.915 20 0 DFADHO CCc1cnc(CNCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657537364 431799521 /nfs/dbraw/zinc/79/95/21/431799521.db2.gz IUPBBACUQSPQAH-UHFFFAOYSA-N 1 3 323.506 2.686 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cccc(Cl)c1F ZINC000657572673 431814970 /nfs/dbraw/zinc/81/49/70/431814970.db2.gz BGOIJXHXEGTASI-ZDUSSCGKSA-N 1 3 315.864 2.841 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@H]3C)CC2)CC1 ZINC000654377801 431769366 /nfs/dbraw/zinc/76/93/66/431769366.db2.gz XYTNEOHPYLHPOM-MRXNPFEDSA-N 1 3 321.509 2.584 20 0 DFADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cccc(F)c3)cc2)C1 ZINC000657594210 431820113 /nfs/dbraw/zinc/82/01/13/431820113.db2.gz GLNWPMMGKGJAPQ-LJQANCHMSA-N 1 3 314.404 2.682 20 0 DFADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cccc(F)c3)cc2)C1 ZINC000657594210 431820119 /nfs/dbraw/zinc/82/01/19/431820119.db2.gz GLNWPMMGKGJAPQ-LJQANCHMSA-N 1 3 314.404 2.682 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+]CC3CCCCC3)cc2)C1 ZINC000657596748 431820620 /nfs/dbraw/zinc/82/06/20/431820620.db2.gz YPAYUPCJKUDCKX-IBGZPJMESA-N 1 3 302.462 2.923 20 0 DFADHO Cc1cccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657594243 431821171 /nfs/dbraw/zinc/82/11/71/431821171.db2.gz HIEOYBDVXXUTEL-HXUWFJFHSA-N 1 3 310.441 2.851 20 0 DFADHO Cc1cccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657594243 431821177 /nfs/dbraw/zinc/82/11/77/431821177.db2.gz HIEOYBDVXXUTEL-HXUWFJFHSA-N 1 3 310.441 2.851 20 0 DFADHO CC(C)OC[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613224 431824584 /nfs/dbraw/zinc/82/45/84/431824584.db2.gz JEDCPBNDOOIZBT-INIZCTEOSA-N 1 3 305.466 2.697 20 0 DFADHO FC1(F)C[C@H]1OCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000657619836 431826566 /nfs/dbraw/zinc/82/65/66/431826566.db2.gz VBVBSSPQIKJTMT-QGZVFWFLSA-N 1 3 324.415 2.707 20 0 DFADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2COC3(CCC3)C2)cc1 ZINC000657630665 431828169 /nfs/dbraw/zinc/82/81/69/431828169.db2.gz LRRWMJGGAHGETF-KRWDZBQOSA-N 1 3 318.461 2.818 20 0 DFADHO Cc1nc2ccccc2n1C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261999298 282077754 /nfs/dbraw/zinc/07/77/54/282077754.db2.gz TXDXIQXYJDGTNW-MRXNPFEDSA-N 1 3 312.461 2.981 20 0 DFADHO Cc1nc2ccccc2n1C1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000261999298 282077755 /nfs/dbraw/zinc/07/77/55/282077755.db2.gz TXDXIQXYJDGTNW-MRXNPFEDSA-N 1 3 312.461 2.981 20 0 DFADHO CN1CC[C@@H](CNC(=O)C2([NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000372097822 290126668 /nfs/dbraw/zinc/12/66/68/290126668.db2.gz CYEBOEJKDQHZOK-ZFWWWQNUSA-N 1 3 321.490 2.519 20 0 DFADHO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2CCCN2CCCCC2)n1 ZINC000372544128 293248227 /nfs/dbraw/zinc/24/82/27/293248227.db2.gz GBLQGGLYWBCYNG-GOSISDBHSA-N 1 3 319.497 2.625 20 0 DFADHO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2CCCN2CCCCC2)n1 ZINC000372544128 293248231 /nfs/dbraw/zinc/24/82/31/293248231.db2.gz GBLQGGLYWBCYNG-GOSISDBHSA-N 1 3 319.497 2.625 20 0 DFADHO CN(CC[NH2+]C1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000436469681 297004668 /nfs/dbraw/zinc/00/46/68/297004668.db2.gz DTGBPCYYQOJVLS-UHFFFAOYSA-N 1 3 316.493 2.905 20 0 DFADHO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000154371873 295298607 /nfs/dbraw/zinc/29/86/07/295298607.db2.gz NEKMRTYIQDZXMS-QFBILLFUSA-N 1 3 301.478 2.537 20 0 DFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(F)cc(F)c1 ZINC000154394715 295298894 /nfs/dbraw/zinc/29/88/94/295298894.db2.gz YJVWGTNTSHKQPM-AWEZNQCLSA-N 1 3 311.420 2.643 20 0 DFADHO CCC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccn1 ZINC000158625830 295365296 /nfs/dbraw/zinc/36/52/96/295365296.db2.gz OSLWDFOJYIXHBU-KRWDZBQOSA-N 1 3 304.482 2.540 20 0 DFADHO OC1(C[NH2+]Cc2cccs2)CCN(Cc2ccccc2)CC1 ZINC000397502080 295487811 /nfs/dbraw/zinc/48/78/11/295487811.db2.gz ZUTHUCAOGLJIPV-UHFFFAOYSA-N 1 3 316.470 2.865 20 0 DFADHO OCC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411171276 295529070 /nfs/dbraw/zinc/52/90/70/295529070.db2.gz ZHNXRACBVYKVMQ-UHFFFAOYSA-N 1 3 302.462 2.877 20 0 DFADHO CCCC[C@H]([NH2+]CC(=O)NC1CCN(CC)CC1)C1CCC1 ZINC000411517638 295544170 /nfs/dbraw/zinc/54/41/70/295544170.db2.gz MZCODGUCZLFODB-KRWDZBQOSA-N 1 3 309.498 2.535 20 0 DFADHO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412149168 295593904 /nfs/dbraw/zinc/59/39/04/295593904.db2.gz QALXUMARAIEEIE-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO CSCCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000157921066 295595371 /nfs/dbraw/zinc/59/53/71/295595371.db2.gz MFMKMZMAFRXRFZ-HUUCEWRRSA-N 1 3 300.512 2.561 20 0 DFADHO CC(C)(C)CC[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000438211546 297084684 /nfs/dbraw/zinc/08/46/84/297084684.db2.gz GIXMFAYROFEYIY-UHFFFAOYSA-N 1 3 304.482 2.620 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000438567815 297099310 /nfs/dbraw/zinc/09/93/10/297099310.db2.gz OIZVTBVDGZKFIB-SJLPKXTDSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000438567815 297099312 /nfs/dbraw/zinc/09/93/12/297099312.db2.gz OIZVTBVDGZKFIB-SJLPKXTDSA-N 1 3 321.509 2.630 20 0 DFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000439829240 297139500 /nfs/dbraw/zinc/13/95/00/297139500.db2.gz GAEBQTDSYVQTDI-QAPCUYQASA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000439829240 297139503 /nfs/dbraw/zinc/13/95/03/297139503.db2.gz GAEBQTDSYVQTDI-QAPCUYQASA-N 1 3 319.493 2.527 20 0 DFADHO COC(=O)CC1(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000440498649 297154560 /nfs/dbraw/zinc/15/45/60/297154560.db2.gz ZHTJPVQDXSVZLW-GJZGRUSLSA-N 1 3 308.466 2.572 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000441150309 297173343 /nfs/dbraw/zinc/17/33/43/297173343.db2.gz CYANHOXCABDTSR-WMZOPIPTSA-N 1 3 317.477 2.844 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000441150309 297173345 /nfs/dbraw/zinc/17/33/45/297173345.db2.gz CYANHOXCABDTSR-WMZOPIPTSA-N 1 3 317.477 2.844 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(C[C@H](C)[NH3+])[C@H]2CCCC[C@@H]12 ZINC000442664197 297199727 /nfs/dbraw/zinc/19/97/27/297199727.db2.gz LSTWOYKMMMBGOR-JNNCMOEMSA-N 1 3 309.498 2.518 20 0 DFADHO C[C@H](CCc1ccsc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442871756 297208826 /nfs/dbraw/zinc/20/88/26/297208826.db2.gz GNZVGTKZRGJLGD-OAHLLOKOSA-N 1 3 309.523 2.685 20 0 DFADHO COc1cc2c(c(CN3CCC[C@@H](CC[NH3+])C3)c1)O[C@H](C)C2 ZINC000442922967 297211216 /nfs/dbraw/zinc/21/12/16/297211216.db2.gz LRTNAJXYKYWLPG-KGLIPLIRSA-N 1 3 304.434 2.579 20 0 DFADHO Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000443057050 297214042 /nfs/dbraw/zinc/21/40/42/297214042.db2.gz FDXRERKLRGHBGF-HZPDHXFCSA-N 1 3 303.450 2.691 20 0 DFADHO CN(C[C@@H](O)C[N@H+](C)C[C@@H]1CC=CCC1)C[C@H]1CC=CCC1 ZINC000447302070 297300008 /nfs/dbraw/zinc/30/00/08/297300008.db2.gz OHPXUUDSOFCCOO-BWTSREIZSA-N 1 3 306.494 2.924 20 0 DFADHO CN(C[C@@H](O)C[N@@H+](C)C[C@@H]1CC=CCC1)C[C@H]1CC=CCC1 ZINC000447302070 297300011 /nfs/dbraw/zinc/30/00/11/297300011.db2.gz OHPXUUDSOFCCOO-BWTSREIZSA-N 1 3 306.494 2.924 20 0 DFADHO CCC(CC)(C[NH3+])C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000447436979 297303838 /nfs/dbraw/zinc/30/38/38/297303838.db2.gz XUQXEGUZRONDHD-QGZVFWFLSA-N 1 3 313.445 2.721 20 0 DFADHO CC[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N(CC)CC ZINC000448521103 297340679 /nfs/dbraw/zinc/34/06/79/297340679.db2.gz PVKWFECYARSMGL-NXHRZFHOSA-N 1 3 321.509 2.582 20 0 DFADHO CC[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N(CC)CC ZINC000448521103 297340680 /nfs/dbraw/zinc/34/06/80/297340680.db2.gz PVKWFECYARSMGL-NXHRZFHOSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCCO2)CC1 ZINC000449064008 297399372 /nfs/dbraw/zinc/39/93/72/297399372.db2.gz OFOBPPJUQFTNSU-QFBILLFUSA-N 1 3 302.462 2.851 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCCO2)CC1 ZINC000449064004 297399422 /nfs/dbraw/zinc/39/94/22/297399422.db2.gz OFOBPPJUQFTNSU-APWZRJJASA-N 1 3 302.462 2.851 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452341798 297961341 /nfs/dbraw/zinc/96/13/41/297961341.db2.gz FJGNSPNIJZFQJJ-DLBZAZTESA-N 1 3 311.514 2.780 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)CO2 ZINC000453061242 298058678 /nfs/dbraw/zinc/05/86/78/298058678.db2.gz NMIBSZKODQTGHF-WBVHZDCISA-N 1 3 318.461 2.710 20 0 DFADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccncc1 ZINC000453157526 298067760 /nfs/dbraw/zinc/06/77/60/298067760.db2.gz GOIHOFFJEWUILP-GBESFXJTSA-N 1 3 317.477 2.890 20 0 DFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453220283 298072375 /nfs/dbraw/zinc/07/23/75/298072375.db2.gz JTFBEEHNVXEXOT-GOSISDBHSA-N 1 3 303.450 2.690 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000453260202 298077570 /nfs/dbraw/zinc/07/75/70/298077570.db2.gz CSYKJZATJNSNNU-XHDPSFHLSA-N 1 3 300.805 2.788 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000453260202 298077573 /nfs/dbraw/zinc/07/75/73/298077573.db2.gz CSYKJZATJNSNNU-XHDPSFHLSA-N 1 3 300.805 2.788 20 0 DFADHO CC(C)(C)[NH+]1CCC(N2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453286909 298080408 /nfs/dbraw/zinc/08/04/08/298080408.db2.gz RKZVHGXUTVCMPP-OAHLLOKOSA-N 1 3 323.525 2.863 20 0 DFADHO C[C@@H]([NH2+]CC1=CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000453285638 298080424 /nfs/dbraw/zinc/08/04/24/298080424.db2.gz JXECPSYIHQDFLT-OAHLLOKOSA-N 1 3 304.434 2.624 20 0 DFADHO C[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245204084 298162464 /nfs/dbraw/zinc/16/24/64/298162464.db2.gz YODAJMXZMTXYQS-KYHPRHEASA-N 1 3 317.477 2.667 20 0 DFADHO C[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245204084 298162465 /nfs/dbraw/zinc/16/24/65/298162465.db2.gz YODAJMXZMTXYQS-KYHPRHEASA-N 1 3 317.477 2.667 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@H](C)[C@H]3CCC[NH2+]C3)C2)c1 ZINC000514930474 300279896 /nfs/dbraw/zinc/27/98/96/300279896.db2.gz IIKSZSYBDCDBER-IKGGRYGDSA-N 1 3 317.477 2.642 20 0 DFADHO C[C@H](CC[NH2+]C[C@@H](O)Cc1ccc(F)cc1)N1CCCCC1 ZINC000515054991 300287555 /nfs/dbraw/zinc/28/75/55/300287555.db2.gz DXCRPDNQMRMWTQ-QAPCUYQASA-N 1 3 308.441 2.583 20 0 DFADHO C[C@@H]1CCN(CCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000515062652 300288279 /nfs/dbraw/zinc/28/82/79/300288279.db2.gz KGEPKMCCISGBSM-NVXWUHKLSA-N 1 3 309.498 2.522 20 0 DFADHO O=C1Nc2ccccc2C12CCC(NCC[C@H]1CCC[NH2+]1)CC2 ZINC000516643656 300353192 /nfs/dbraw/zinc/35/31/92/300353192.db2.gz UEMVXKXVCURHSG-TZGCNFNXSA-N 1 3 313.445 2.551 20 0 DFADHO c1ccc(OC2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)nc1 ZINC000516975039 300374697 /nfs/dbraw/zinc/37/46/97/300374697.db2.gz NUXUHJLKZZTMDZ-UHFFFAOYSA-N 1 3 323.440 2.771 20 0 DFADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@H]3CCCC[C@@H]3O)C2)CC1 ZINC000517032829 300379721 /nfs/dbraw/zinc/37/97/21/300379721.db2.gz CGDGNJGKWMFUMP-OTWHNJEPSA-N 1 3 308.510 2.981 20 0 DFADHO CC1CCN(C[C@@H]2CCC[N@H+](C[C@H]3CCCC[C@@H]3O)C2)CC1 ZINC000517032829 300379723 /nfs/dbraw/zinc/37/97/23/300379723.db2.gz CGDGNJGKWMFUMP-OTWHNJEPSA-N 1 3 308.510 2.981 20 0 DFADHO CC1CCN(C[C@@H]2CCC[N@@H+](C[C@H]3CCCC[C@@H]3O)C2)CC1 ZINC000517032829 300379725 /nfs/dbraw/zinc/37/97/25/300379725.db2.gz CGDGNJGKWMFUMP-OTWHNJEPSA-N 1 3 308.510 2.981 20 0 DFADHO C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CCCNC1 ZINC000517553661 300399207 /nfs/dbraw/zinc/39/92/07/300399207.db2.gz FKQVDCPTYZVNGP-RDJZCZTQSA-N 1 3 319.468 2.768 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@H]1CC12CC2 ZINC000527868559 300704379 /nfs/dbraw/zinc/70/43/79/300704379.db2.gz KTWSNRMJAOISQB-HNAYVOBHSA-N 1 3 314.473 2.922 20 0 DFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCN1C1CCCC1)[NH+]1CCCCC1 ZINC000530023202 301004850 /nfs/dbraw/zinc/00/48/50/301004850.db2.gz CSZZAZBQRKNRPZ-MSOLQXFVSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cccc(OCCN(C)C)c1 ZINC000530219669 301030912 /nfs/dbraw/zinc/03/09/12/301030912.db2.gz MLNWSKRGZKZQHF-MAUKXSAKSA-N 1 3 317.477 2.562 20 0 DFADHO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cccc(OCCN(C)C)c1 ZINC000530219667 301030917 /nfs/dbraw/zinc/03/09/17/301030917.db2.gz MLNWSKRGZKZQHF-CRAIPNDOSA-N 1 3 317.477 2.562 20 0 DFADHO CCC(F)(F)C(C)(C)CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000530219700 301031164 /nfs/dbraw/zinc/03/11/64/301031164.db2.gz QAWBHZLFQHEFMM-HZSPNIEDSA-N 1 3 304.425 2.805 20 0 DFADHO COc1cccc(C[C@H]([NH2+][C@@H]2CCNC23CCC3)C2CC2)c1 ZINC000530224322 301031436 /nfs/dbraw/zinc/03/14/36/301031436.db2.gz WBVGTOUEAODRRR-ZWKOTPCHSA-N 1 3 300.446 2.891 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc2c(c1)OCCNC2 ZINC000530247486 301033770 /nfs/dbraw/zinc/03/37/70/301033770.db2.gz UVVZXITZJFBTAQ-ZBFHGGJFSA-N 1 3 303.450 2.891 20 0 DFADHO COc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1C ZINC000530248759 301034128 /nfs/dbraw/zinc/03/41/28/301034128.db2.gz OWSCWBZNAJXHQP-SFHVURJKSA-N 1 3 318.461 2.594 20 0 DFADHO COc1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1C ZINC000530248789 301034316 /nfs/dbraw/zinc/03/43/16/301034316.db2.gz PBOSGLFVUCAICN-GOSISDBHSA-N 1 3 318.461 2.594 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531728169 301106549 /nfs/dbraw/zinc/10/65/49/301106549.db2.gz BVEVPVPHQJXLMQ-HOCLYGCPSA-N 1 3 303.450 2.644 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)NCC[N@H+]1CC[C@H](C)C1 ZINC000531728169 301106551 /nfs/dbraw/zinc/10/65/51/301106551.db2.gz BVEVPVPHQJXLMQ-HOCLYGCPSA-N 1 3 303.450 2.644 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531728168 301106716 /nfs/dbraw/zinc/10/67/16/301106716.db2.gz BVEVPVPHQJXLMQ-GOEBONIOSA-N 1 3 303.450 2.644 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)NCC[N@H+]1CC[C@H](C)C1 ZINC000531728168 301106718 /nfs/dbraw/zinc/10/67/18/301106718.db2.gz BVEVPVPHQJXLMQ-GOEBONIOSA-N 1 3 303.450 2.644 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NCC[N@@H+]2CC[C@H](C)C2)c(C)c1 ZINC000531983834 301123403 /nfs/dbraw/zinc/12/34/03/301123403.db2.gz ZYTQKESHLVYEKX-RDJZCZTQSA-N 1 3 317.477 2.952 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NCC[N@H+]2CC[C@H](C)C2)c(C)c1 ZINC000531983834 301123404 /nfs/dbraw/zinc/12/34/04/301123404.db2.gz ZYTQKESHLVYEKX-RDJZCZTQSA-N 1 3 317.477 2.952 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NCC[N@@H+]2CC[C@@H](C)C2)c(C)c1 ZINC000531983835 301123456 /nfs/dbraw/zinc/12/34/56/301123456.db2.gz ZYTQKESHLVYEKX-WBVHZDCISA-N 1 3 317.477 2.952 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)NCC[N@H+]2CC[C@@H](C)C2)c(C)c1 ZINC000531983835 301123458 /nfs/dbraw/zinc/12/34/58/301123458.db2.gz ZYTQKESHLVYEKX-WBVHZDCISA-N 1 3 317.477 2.952 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NCC[N@@H+]2CC[C@@H](C)C2)c(C)c1 ZINC000531983833 301123514 /nfs/dbraw/zinc/12/35/14/301123514.db2.gz ZYTQKESHLVYEKX-NVXWUHKLSA-N 1 3 317.477 2.952 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NCC[N@H+]2CC[C@@H](C)C2)c(C)c1 ZINC000531983833 301123516 /nfs/dbraw/zinc/12/35/16/301123516.db2.gz ZYTQKESHLVYEKX-NVXWUHKLSA-N 1 3 317.477 2.952 20 0 DFADHO C[C@@H]1CCN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000532239219 301139135 /nfs/dbraw/zinc/13/91/35/301139135.db2.gz KDTJTYWPHZOBOG-QWFCFKBJSA-N 1 3 315.505 2.828 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532549631 301159243 /nfs/dbraw/zinc/15/92/43/301159243.db2.gz FURGPYFEGMCBCW-YIFLHPOLSA-N 1 3 308.388 2.685 20 0 DFADHO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000532967392 301179904 /nfs/dbraw/zinc/17/99/04/301179904.db2.gz AWNGWRDNBIRVAJ-QAPCUYQASA-N 1 3 321.509 2.630 20 0 DFADHO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000532967392 301179906 /nfs/dbraw/zinc/17/99/06/301179906.db2.gz AWNGWRDNBIRVAJ-QAPCUYQASA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCCCN2CCN(C)CC2)o1 ZINC000537237868 301296811 /nfs/dbraw/zinc/29/68/11/301296811.db2.gz UCSKTUFANRVGNI-WBVHZDCISA-N 1 3 305.466 2.520 20 0 DFADHO c1cc(N2CCN(CCC[NH2+]C3CCCCCC3)CC2)ccn1 ZINC000548814049 301616476 /nfs/dbraw/zinc/61/64/76/301616476.db2.gz INJFLZNCUXKWAH-UHFFFAOYSA-N 1 3 316.493 2.906 20 0 DFADHO CSC1(CNCc2ccc(F)cc2F)CC[NH+](C)CC1 ZINC000562082008 301950590 /nfs/dbraw/zinc/95/05/90/301950590.db2.gz BDQNMWDOBDNJLU-UHFFFAOYSA-N 1 3 300.418 2.882 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000562959261 302018311 /nfs/dbraw/zinc/01/83/11/302018311.db2.gz OSOCPCIAXPTAFC-IKGGRYGDSA-N 1 3 307.869 2.946 20 0 DFADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000562959261 302018313 /nfs/dbraw/zinc/01/83/13/302018313.db2.gz OSOCPCIAXPTAFC-IKGGRYGDSA-N 1 3 307.869 2.946 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(N3CCCCCC3)nc2)C1 ZINC000563427314 302071634 /nfs/dbraw/zinc/07/16/34/302071634.db2.gz XODIDMQGVHWFII-IAGOWNOFSA-N 1 3 302.466 2.822 20 0 DFADHO C[C@@H](NCCc1nc(-c2ccccn2)cs1)[C@H]1CCC[NH2+]C1 ZINC000563446116 302073846 /nfs/dbraw/zinc/07/38/46/302073846.db2.gz WBHNJSKKDCOLEK-KGLIPLIRSA-N 1 3 316.474 2.725 20 0 DFADHO C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)[C@H]1CCCNC1 ZINC000563446116 302073848 /nfs/dbraw/zinc/07/38/48/302073848.db2.gz WBHNJSKKDCOLEK-KGLIPLIRSA-N 1 3 316.474 2.725 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000563504812 302077858 /nfs/dbraw/zinc/07/78/58/302077858.db2.gz QTRSMRDXIBHVPT-QGZVFWFLSA-N 1 3 316.449 2.532 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000563504812 302077859 /nfs/dbraw/zinc/07/78/59/302077859.db2.gz QTRSMRDXIBHVPT-QGZVFWFLSA-N 1 3 316.449 2.532 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NC[C@@H]2C[C@H](F)CN2Cc2cccs2)C1 ZINC000564099390 302119480 /nfs/dbraw/zinc/11/94/80/302119480.db2.gz JXDGKRPFXBTBNP-AJNGGQMLSA-N 1 3 311.470 2.520 20 0 DFADHO CC[NH+](CC)CCCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000565192964 302205131 /nfs/dbraw/zinc/20/51/31/302205131.db2.gz SBOHYJHGWRWURO-QGZVFWFLSA-N 1 3 323.525 2.689 20 0 DFADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@@H](O)CC(F)(F)F ZINC000565357859 302220827 /nfs/dbraw/zinc/22/08/27/302220827.db2.gz BCAFQESWCXCUIN-HNNXBMFYSA-N 1 3 318.383 2.930 20 0 DFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@H](O)CC(F)(F)F ZINC000565357859 302220829 /nfs/dbraw/zinc/22/08/29/302220829.db2.gz BCAFQESWCXCUIN-HNNXBMFYSA-N 1 3 318.383 2.930 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCc2cc(Br)ccc2F)C1 ZINC000565491110 302227717 /nfs/dbraw/zinc/22/77/17/302227717.db2.gz NESOZIMVATVTMO-QWHCGFSZSA-N 1 3 315.230 2.990 20 0 DFADHO CCO[C@H]1C[C@@H](NCC2([NH3+])CCCCCC2)C12CCOCC2 ZINC000565827636 302243736 /nfs/dbraw/zinc/24/37/36/302243736.db2.gz QZQCYTAFOUCEOT-CVEARBPZSA-N 1 3 310.482 2.602 20 0 DFADHO CCN(C(=O)CCCC[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000565890561 302247578 /nfs/dbraw/zinc/24/75/78/302247578.db2.gz UJYLNBGYVVPHAP-FUHWJXTLSA-N 1 3 317.477 2.799 20 0 DFADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CCCCC[C@H]2N)CC1 ZINC000566090769 302258797 /nfs/dbraw/zinc/25/87/97/302258797.db2.gz LTRCTXKMMPLNLO-LZQZEXGQSA-N 1 3 316.493 2.857 20 0 DFADHO C[C@H](c1ccncc1)N1CCC(N[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000566090769 302258800 /nfs/dbraw/zinc/25/88/00/302258800.db2.gz LTRCTXKMMPLNLO-LZQZEXGQSA-N 1 3 316.493 2.857 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)CCc2ccccc2)C1 ZINC000566114538 302260888 /nfs/dbraw/zinc/26/08/88/302260888.db2.gz IZPINZIHWADANS-UXHICEINSA-N 1 3 318.505 2.938 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)CCc2ccccc2)C1 ZINC000566114538 302260890 /nfs/dbraw/zinc/26/08/90/302260890.db2.gz IZPINZIHWADANS-UXHICEINSA-N 1 3 318.505 2.938 20 0 DFADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000566114538 302260892 /nfs/dbraw/zinc/26/08/92/302260892.db2.gz IZPINZIHWADANS-UXHICEINSA-N 1 3 318.505 2.938 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)C1 ZINC000566865844 302318586 /nfs/dbraw/zinc/31/85/86/302318586.db2.gz FQPXWHCKGUUGSP-KBPBESRZSA-N 1 3 307.404 2.510 20 0 DFADHO C[C@@H](CC1CCCC1)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000566990244 302327775 /nfs/dbraw/zinc/32/77/75/302327775.db2.gz VUGPAZZRWHJMLM-INIZCTEOSA-N 1 3 309.498 2.537 20 0 DFADHO C[C@@H]1C[N@H+](CCCNCc2ccnc3ccccc23)CCCO1 ZINC000567010559 302328816 /nfs/dbraw/zinc/32/88/16/302328816.db2.gz QITXVGIDWFJSGY-MRXNPFEDSA-N 1 3 313.445 2.825 20 0 DFADHO C[C@@H]1C[N@@H+](CCCNCc2ccnc3ccccc23)CCCO1 ZINC000567010559 302328818 /nfs/dbraw/zinc/32/88/18/302328818.db2.gz QITXVGIDWFJSGY-MRXNPFEDSA-N 1 3 313.445 2.825 20 0 DFADHO C[C@@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)N1CCCC1 ZINC000567164808 302341012 /nfs/dbraw/zinc/34/10/12/302341012.db2.gz XLYIKSOGZVOGHU-RDJZCZTQSA-N 1 3 309.498 2.665 20 0 DFADHO C[C@H](N[C@H]1CCN(c2cccc(Cl)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000567641181 302375827 /nfs/dbraw/zinc/37/58/27/302375827.db2.gz KHMJRKMZEIJEMZ-DZKIICNBSA-N 1 3 307.869 2.896 20 0 DFADHO C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)[C@H]1CCCNC1 ZINC000567641181 302375829 /nfs/dbraw/zinc/37/58/29/302375829.db2.gz KHMJRKMZEIJEMZ-DZKIICNBSA-N 1 3 307.869 2.896 20 0 DFADHO COc1ccc(-c2n[nH]cc2CN2CCC(CC[NH3+])CC2)cc1 ZINC000568007511 302409193 /nfs/dbraw/zinc/40/91/93/302409193.db2.gz PBHQEJLLHOCMSZ-UHFFFAOYSA-N 1 3 314.433 2.646 20 0 DFADHO CC(C)NCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000568287082 302439281 /nfs/dbraw/zinc/43/92/81/302439281.db2.gz QCKUEWCHYMLRED-UHFFFAOYSA-N 1 3 303.450 2.652 20 0 DFADHO CC[NH+](CC)CCOC1CCN(CCc2ccncc2C)CC1 ZINC000572359555 302657640 /nfs/dbraw/zinc/65/76/40/302657640.db2.gz MPCRSTNAWAQVOF-UHFFFAOYSA-N 1 3 319.493 2.755 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000182341536 316097360 /nfs/dbraw/zinc/09/73/60/316097360.db2.gz DRRGERUKNCKPCL-IBGZPJMESA-N 1 3 319.468 2.819 20 0 DFADHO OC1(C[NH2+]C2CC3(CCC3)C2)CCN(Cc2ccccc2)CC1 ZINC000414523564 316617810 /nfs/dbraw/zinc/61/78/10/316617810.db2.gz INBCRCWLPIQVHU-UHFFFAOYSA-N 1 3 314.473 2.936 20 0 DFADHO Clc1ccc(CN2CCC([NH2+]C3CCNCC3)CC2)cc1 ZINC000414785300 316655194 /nfs/dbraw/zinc/65/51/94/316655194.db2.gz VABXTHRRDXXJAV-UHFFFAOYSA-N 1 3 307.869 2.646 20 0 DFADHO COc1ccccc1/C=C/CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414789783 316658216 /nfs/dbraw/zinc/65/82/16/316658216.db2.gz OOORBTLEBVLSFK-LRSLKPCPSA-N 1 3 316.445 2.537 20 0 DFADHO CCc1cc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc[nH+]1 ZINC000450300447 317081153 /nfs/dbraw/zinc/08/11/53/317081153.db2.gz CXPHWTSNWAHJEU-HZPDHXFCSA-N 1 3 317.477 2.970 20 0 DFADHO C[C@@H](Cc1cnccn1)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000453146610 317165130 /nfs/dbraw/zinc/16/51/30/317165130.db2.gz XIIUPJZVMXUQFX-IRXDYDNUSA-N 1 3 312.461 2.908 20 0 DFADHO C[C@@H](Cc1cnccn1)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000453146610 317165134 /nfs/dbraw/zinc/16/51/34/317165134.db2.gz XIIUPJZVMXUQFX-IRXDYDNUSA-N 1 3 312.461 2.908 20 0 DFADHO COC1([C@H](C)[NH2+]C[C@@H]2CCCN(CC(C)C)C2)CCOCC1 ZINC000453167945 317167719 /nfs/dbraw/zinc/16/77/19/317167719.db2.gz JKCUYQTXOJNRTC-IRXDYDNUSA-N 1 3 312.498 2.528 20 0 DFADHO COC1([C@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CCOCC1 ZINC000453167945 317167723 /nfs/dbraw/zinc/16/77/23/317167723.db2.gz JKCUYQTXOJNRTC-IRXDYDNUSA-N 1 3 312.498 2.528 20 0 DFADHO COC1([C@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CCOCC1 ZINC000453167945 317167726 /nfs/dbraw/zinc/16/77/26/317167726.db2.gz JKCUYQTXOJNRTC-IRXDYDNUSA-N 1 3 312.498 2.528 20 0 DFADHO C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000453386857 317182303 /nfs/dbraw/zinc/18/23/03/317182303.db2.gz WBQJWUTVLTZAHL-RHSMWYFYSA-N 1 3 306.450 2.703 20 0 DFADHO CC(C)[C@H](C(=O)NC1CC[NH+](C2CCC2)CC1)N1CCCCC1 ZINC000456679435 317242913 /nfs/dbraw/zinc/24/29/13/317242913.db2.gz AFJKSNLLURNLET-GOSISDBHSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459335905 317319786 /nfs/dbraw/zinc/31/97/86/317319786.db2.gz OYHGLYBMJUFQOW-CYBMUJFWSA-N 1 3 304.425 2.589 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488414216 317390704 /nfs/dbraw/zinc/39/07/04/317390704.db2.gz NEFPXGAROYVWGL-CVEARBPZSA-N 1 3 313.555 2.524 20 0 DFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H]3C[C@H]3C)cc2)CC1 ZINC000488412034 317390830 /nfs/dbraw/zinc/39/08/30/317390830.db2.gz KXXGCFKPCFYZJT-VQIMIIECSA-N 1 3 301.478 2.570 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488414218 317391072 /nfs/dbraw/zinc/39/10/72/317391072.db2.gz NEFPXGAROYVWGL-HZPDHXFCSA-N 1 3 313.555 2.524 20 0 DFADHO C[C@H]1C[C@H]1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000488421648 317391772 /nfs/dbraw/zinc/39/17/72/317391772.db2.gz SYSKTQDDQGVIJM-ROUUACIJSA-N 1 3 301.478 2.834 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000565903517 317932557 /nfs/dbraw/zinc/93/25/57/317932557.db2.gz JDQAFYISWJJPDS-HUUCEWRRSA-N 1 3 303.381 2.883 20 0 DFADHO CN1CCN(CC2CC[NH+](CCC3CCCCC3)CC2)CC1 ZINC000571365331 317982610 /nfs/dbraw/zinc/98/26/10/317982610.db2.gz LHZIESRSEMTUBD-UHFFFAOYSA-N 1 3 307.526 2.916 20 0 DFADHO CCc1noc(C2CCC([NH2+]C[C@@H]3CCN(C(C)C)C3)CC2)n1 ZINC000574944500 318052241 /nfs/dbraw/zinc/05/22/41/318052241.db2.gz RHGLLJXYUIXLCO-FHERZECASA-N 1 3 320.481 2.978 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)C[C@H](C)O1 ZINC000575747689 318080745 /nfs/dbraw/zinc/08/07/45/318080745.db2.gz JXFSQQKEXOJYCV-VQFNDLOPSA-N 1 3 320.477 2.715 20 0 DFADHO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000576220044 318111362 /nfs/dbraw/zinc/11/13/62/318111362.db2.gz AZEXYIDZIDJABS-ZWKOTPCHSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)(C)[C@H](O)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000576220044 318111364 /nfs/dbraw/zinc/11/13/64/318111364.db2.gz AZEXYIDZIDJABS-ZWKOTPCHSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)(C)[C@H](O)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000576220044 318111365 /nfs/dbraw/zinc/11/13/65/318111365.db2.gz AZEXYIDZIDJABS-ZWKOTPCHSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000576220042 318111393 /nfs/dbraw/zinc/11/13/93/318111393.db2.gz AZEXYIDZIDJABS-QZTJIDSGSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)(C)[C@H](O)CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000576220042 318111395 /nfs/dbraw/zinc/11/13/95/318111395.db2.gz AZEXYIDZIDJABS-QZTJIDSGSA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)(C)[C@H](O)CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000576220042 318111396 /nfs/dbraw/zinc/11/13/96/318111396.db2.gz AZEXYIDZIDJABS-QZTJIDSGSA-N 1 3 304.478 2.548 20 0 DFADHO Cc1cccc(OC[C@H](O)CN[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000577055181 318167925 /nfs/dbraw/zinc/16/79/25/318167925.db2.gz LMGUBXRIMZXAEN-AEFFLSMTSA-N 1 3 322.493 2.691 20 0 DFADHO CN(CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)Cc1ccccc1 ZINC000577472278 318195064 /nfs/dbraw/zinc/19/50/64/318195064.db2.gz FZHRQPBUUVZPRW-UHFFFAOYSA-N 1 3 324.428 2.543 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@H]1CCC[NH2+]CC1 ZINC000577720389 318212359 /nfs/dbraw/zinc/21/23/59/318212359.db2.gz WVCYQAFLQLEVQO-ZDUSSCGKSA-N 1 3 309.841 2.709 20 0 DFADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000577856171 318221987 /nfs/dbraw/zinc/22/19/87/318221987.db2.gz PMUYRTOEIDNUFD-HUUCEWRRSA-N 1 3 324.440 2.813 20 0 DFADHO C[C@@H]1C[C@@H](N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CO1 ZINC000577952261 318228036 /nfs/dbraw/zinc/22/80/36/318228036.db2.gz ARLHVITXOHGEMY-INMHGKMJSA-N 1 3 316.445 2.742 20 0 DFADHO Cn1cc([C@@H]2CN(CC[C@H]3CCCC[N@@H+]3C)CC2(C)C)cn1 ZINC000578079729 318236300 /nfs/dbraw/zinc/23/63/00/318236300.db2.gz BKJIHPKPSAVMDF-SJORKVTESA-N 1 3 304.482 2.720 20 0 DFADHO Cn1cc([C@@H]2CN(CC[C@H]3CCCC[N@H+]3C)CC2(C)C)cn1 ZINC000578079729 318236302 /nfs/dbraw/zinc/23/63/02/318236302.db2.gz BKJIHPKPSAVMDF-SJORKVTESA-N 1 3 304.482 2.720 20 0 DFADHO C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000578638327 318274829 /nfs/dbraw/zinc/27/48/29/318274829.db2.gz VOSPCZCRCCISKN-IYJAJMOOSA-N 1 3 316.445 2.887 20 0 DFADHO FC(F)(F)COCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000578637775 318274839 /nfs/dbraw/zinc/27/48/39/318274839.db2.gz FUFSPNLRHCXKSJ-BFHYXJOUSA-N 1 3 308.388 2.856 20 0 DFADHO CC(C)(C[NH2+]C1CCC(O)(C(F)(F)F)CC1)CN1CCCC1 ZINC000579185182 318311719 /nfs/dbraw/zinc/31/17/19/318311719.db2.gz QQLKIKMAEVTFEO-UHFFFAOYSA-N 1 3 322.415 2.934 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000579258215 318318738 /nfs/dbraw/zinc/31/87/38/318318738.db2.gz GCLFOHVBAGTAAD-LMMKCTJWSA-N 1 3 319.493 2.936 20 0 DFADHO C[C@H](NCCOc1ccc(F)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000579342064 318323466 /nfs/dbraw/zinc/32/34/66/318323466.db2.gz TTZRJIGCLQFYMH-RYUDHWBXSA-N 1 3 300.805 2.836 20 0 DFADHO Cc1noc(C2CCC(NC[C@H]3[NH2+]CCCC3(C)C)CC2)n1 ZINC000579342476 318323711 /nfs/dbraw/zinc/32/37/11/318323711.db2.gz MMHBMZXNKRYJMJ-YMAMQOFZSA-N 1 3 306.454 2.772 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000579495327 318335475 /nfs/dbraw/zinc/33/54/75/318335475.db2.gz WUVDITORCCXUQB-ZBFHGGJFSA-N 1 3 313.401 2.891 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@@H]3CCCCC[C@@H]3[NH3+])C2)c1 ZINC000579699318 318348296 /nfs/dbraw/zinc/34/82/96/318348296.db2.gz ANXNXYNEBXYQKR-ZYSHUDEJSA-N 1 3 317.477 2.914 20 0 DFADHO COCC[N@H+](C)CCCN[C@@H]1CCCc2c(OC)cccc21 ZINC000194848627 323273694 /nfs/dbraw/zinc/27/36/94/323273694.db2.gz OAYJHXQDUXANMO-QGZVFWFLSA-N 1 3 306.450 2.631 20 0 DFADHO COCC[N@@H+](C)CCCN[C@@H]1CCCc2c(OC)cccc21 ZINC000194848627 323273698 /nfs/dbraw/zinc/27/36/98/323273698.db2.gz OAYJHXQDUXANMO-QGZVFWFLSA-N 1 3 306.450 2.631 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379645729 323290373 /nfs/dbraw/zinc/29/03/73/323290373.db2.gz DMEIMIRLNQZELW-RWQQGDIJSA-N 1 3 301.478 2.627 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CCN1CC[C@H]1CCC[NH2+]C1 ZINC000382767253 323302562 /nfs/dbraw/zinc/30/25/62/323302562.db2.gz WUAKCCQSVFFONR-ZWKOTPCHSA-N 1 3 301.478 2.582 20 0 DFADHO Brc1ccccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386215605 323315901 /nfs/dbraw/zinc/31/59/01/323315901.db2.gz NODLFZOKSXJMBE-BETUJISGSA-N 1 3 309.251 2.881 20 0 DFADHO OC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000386150906 323316283 /nfs/dbraw/zinc/31/62/83/323316283.db2.gz TVXVRPZQUQEIJJ-SFHVURJKSA-N 1 3 303.450 2.581 20 0 DFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000387502373 323325362 /nfs/dbraw/zinc/32/53/62/323325362.db2.gz CTYMPVIZMCONTE-INIZCTEOSA-N 1 3 321.465 2.590 20 0 DFADHO NC[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000392138554 323348310 /nfs/dbraw/zinc/34/83/10/323348310.db2.gz CBAYGBPQLVKTPJ-IBGZPJMESA-N 1 3 323.440 2.963 20 0 DFADHO C[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)CN1CCCC1 ZINC000396328473 323352367 /nfs/dbraw/zinc/35/23/67/323352367.db2.gz WOURYFQKFWGWNX-HSBZDZAISA-N 1 3 308.388 2.544 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2c3ccccc3CC23CCOCC3)C1 ZINC000581618233 323551218 /nfs/dbraw/zinc/55/12/18/323551218.db2.gz VFDCECDFBCLRLA-SOLBZPMBSA-N 1 3 300.446 2.940 20 0 DFADHO CN(C)Cc1ccc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000583992027 323946182 /nfs/dbraw/zinc/94/61/82/323946182.db2.gz KSARFHZCLFOZNI-IAGOWNOFSA-N 1 3 303.450 2.984 20 0 DFADHO CC(C)CNC(=O)c1cccc(CN2CCC(CC[NH3+])CC2)c1 ZINC000584639096 337379718 /nfs/dbraw/zinc/37/97/18/337379718.db2.gz VEIREJKISVNJRH-UHFFFAOYSA-N 1 3 317.477 2.633 20 0 DFADHO CCC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000584670676 337381353 /nfs/dbraw/zinc/38/13/53/337381353.db2.gz LIYMHYHFTBBYOX-KSZLIROESA-N 1 3 315.461 2.998 20 0 DFADHO COc1ccc(F)c(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000293728266 533904820 /nfs/dbraw/zinc/90/48/20/533904820.db2.gz ZBGIVVNJDFQNSJ-GJZGRUSLSA-N 1 3 324.440 2.813 20 0 DFADHO C[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000296654702 534007340 /nfs/dbraw/zinc/00/73/40/534007340.db2.gz ZEFFHVNVGFXLLJ-YOEHRIQHSA-N 1 3 306.450 2.845 20 0 DFADHO CC(C)Oc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cn1 ZINC000367603350 519779878 /nfs/dbraw/zinc/77/98/78/519779878.db2.gz ZEYXIWGAJYRQAC-BBWFWOEESA-N 1 3 303.450 2.831 20 0 DFADHO CCC[C@H]([NH3+])C(=O)NC[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000366330347 521115974 /nfs/dbraw/zinc/11/59/74/521115974.db2.gz QTKUIVYYRNREFN-KBMXLJTQSA-N 1 3 323.868 2.576 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000154534635 521679465 /nfs/dbraw/zinc/67/94/65/521679465.db2.gz XPYLZVRPXJXHAC-KRWDZBQOSA-N 1 3 321.513 2.532 20 0 DFADHO CN(C)Cc1cccc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000156560633 521811827 /nfs/dbraw/zinc/81/18/27/521811827.db2.gz JLLWCCSCTGQAGL-QGZVFWFLSA-N 1 3 319.493 2.844 20 0 DFADHO COC1(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCOCC1 ZINC000368440037 522606048 /nfs/dbraw/zinc/60/60/48/522606048.db2.gz ZVMJIFBETSILFI-ZWKOTPCHSA-N 1 3 324.509 2.768 20 0 DFADHO COC1(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CCOCC1 ZINC000368440037 522606054 /nfs/dbraw/zinc/60/60/54/522606054.db2.gz ZVMJIFBETSILFI-ZWKOTPCHSA-N 1 3 324.509 2.768 20 0 DFADHO COC1(C[N@@H+]2CCC[C@@H](CN3CCCC[C@@H]3C)C2)CCOCC1 ZINC000368440037 522606058 /nfs/dbraw/zinc/60/60/58/522606058.db2.gz ZVMJIFBETSILFI-ZWKOTPCHSA-N 1 3 324.509 2.768 20 0 DFADHO COC1(C[N@H+]2CCC[C@@H](CN3CCCC[C@@H]3C)C2)CCOCC1 ZINC000368440037 522606062 /nfs/dbraw/zinc/60/60/62/522606062.db2.gz ZVMJIFBETSILFI-ZWKOTPCHSA-N 1 3 324.509 2.768 20 0 DFADHO C[C@@H](c1cnccn1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364176014 526155855 /nfs/dbraw/zinc/15/58/55/526155855.db2.gz ZBJUNTFCRMPTRS-HNNXBMFYSA-N 1 3 311.433 2.781 20 0 DFADHO [NH3+]CCCCCCC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000366343654 527172487 /nfs/dbraw/zinc/17/24/87/527172487.db2.gz BQSXRJDWWMOSAV-UHFFFAOYSA-N 1 3 323.506 2.738 20 0 DFADHO CC(C)(CO)CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000294802341 527204696 /nfs/dbraw/zinc/20/46/96/527204696.db2.gz MZMUMQVYZBCQBQ-IPMKNSEASA-N 1 3 316.489 2.895 20 0 DFADHO CCCN[C@@H](C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000294930362 528546233 /nfs/dbraw/zinc/54/62/33/528546233.db2.gz BDRDDKHJUJLMOT-HNNXBMFYSA-N 1 3 303.450 2.652 20 0 DFADHO CC(=O)c1ccccc1OCCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261850389 534926419 /nfs/dbraw/zinc/92/64/19/534926419.db2.gz ZTXNLCGXNILGQX-SFHVURJKSA-N 1 3 316.445 2.732 20 0 DFADHO CC(C)N(C)c1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000262042999 535025150 /nfs/dbraw/zinc/02/51/50/535025150.db2.gz YMVSUTVHVMDZKE-SFHVURJKSA-N 1 3 316.493 2.890 20 0 DFADHO CC(C)C[C@H](CNC(=O)[C@H](C(C)C)N1CCCCC1)[NH+](C)C ZINC000358047353 535312202 /nfs/dbraw/zinc/31/22/02/535312202.db2.gz QQTKSTQOODLIJP-SJORKVTESA-N 1 3 311.514 2.589 20 0 DFADHO CC[NH2+]CC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000261988534 535460099 /nfs/dbraw/zinc/46/00/99/535460099.db2.gz SBNLFOREUIYDJG-UHFFFAOYSA-N 1 3 304.463 2.960 20 0 DFADHO CCC[C@@](C)(N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000262698418 535524126 /nfs/dbraw/zinc/52/41/26/535524126.db2.gz FWHGPAMVHZLZLM-SJLPKXTDSA-N 1 3 309.498 2.619 20 0 DFADHO COc1ccc(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000261959517 536840597 /nfs/dbraw/zinc/84/05/97/536840597.db2.gz XKRDLBKRHSHSIS-IAGOWNOFSA-N 1 3 312.413 2.981 20 0 DFADHO CC[C@@]1(CO)CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000681755452 545716444 /nfs/dbraw/zinc/71/64/44/545716444.db2.gz VIBWBECWPAGFMM-LJQANCHMSA-N 1 3 320.477 2.612 20 0 DFADHO CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000681824792 545732461 /nfs/dbraw/zinc/73/24/61/545732461.db2.gz HJDBQLCPZGLRFV-IEBWSBKVSA-N 1 3 320.477 2.778 20 0 DFADHO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000682409244 545842755 /nfs/dbraw/zinc/84/27/55/545842755.db2.gz LHLOGZZIFDUEET-JTDSTZFVSA-N 1 3 320.477 2.608 20 0 DFADHO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000682409244 545842758 /nfs/dbraw/zinc/84/27/58/545842758.db2.gz LHLOGZZIFDUEET-JTDSTZFVSA-N 1 3 320.477 2.608 20 0 DFADHO CC[NH+](CC)CCCN1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000683140891 545978332 /nfs/dbraw/zinc/97/83/32/545978332.db2.gz HRJHJAKPWNMWEH-IBGZPJMESA-N 1 3 303.494 2.925 20 0 DFADHO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000683722402 546081681 /nfs/dbraw/zinc/08/16/81/546081681.db2.gz OPXMYUMUJCGALR-IBGZPJMESA-N 1 3 320.477 2.754 20 0 DFADHO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000683722402 546081685 /nfs/dbraw/zinc/08/16/85/546081685.db2.gz OPXMYUMUJCGALR-IBGZPJMESA-N 1 3 320.477 2.754 20 0 DFADHO CO[C@H]1CCC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000684389894 546207881 /nfs/dbraw/zinc/20/78/81/546207881.db2.gz YEVVJHDQEDRZLG-WMZOPIPTSA-N 1 3 303.450 2.845 20 0 DFADHO CN1CCN(CC[NH2+]Cc2ccccc2C2CC2)CC1(C)C ZINC000685043291 546323096 /nfs/dbraw/zinc/32/30/96/546323096.db2.gz UJBUCSDJTDUEQH-UHFFFAOYSA-N 1 3 301.478 2.680 20 0 DFADHO CN(Cc1ccc(Cl)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457349 546353905 /nfs/dbraw/zinc/35/39/05/546353905.db2.gz BECHKGCBSOSBDD-AWEZNQCLSA-N 1 3 311.857 2.533 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1 ZINC000685463805 546354631 /nfs/dbraw/zinc/35/46/31/546354631.db2.gz BMVKCBNXSFTRDQ-IBGZPJMESA-N 1 3 320.477 2.754 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@]2(C)CCCO)cc1 ZINC000685463805 546354634 /nfs/dbraw/zinc/35/46/34/546354634.db2.gz BMVKCBNXSFTRDQ-IBGZPJMESA-N 1 3 320.477 2.754 20 0 DFADHO Cc1cccc2c1OC[C@H](N[C@@H]1CC[N@@H+](C)[C@H]3CCC[C@H]31)C2 ZINC000685665602 546383440 /nfs/dbraw/zinc/38/34/40/546383440.db2.gz KPVKLLOGBQBCRI-XDNAFOTISA-N 1 3 300.446 2.761 20 0 DFADHO Cc1cccc2c1OC[C@H](N[C@@H]1CC[N@H+](C)[C@H]3CCC[C@H]31)C2 ZINC000685665602 546383442 /nfs/dbraw/zinc/38/34/42/546383442.db2.gz KPVKLLOGBQBCRI-XDNAFOTISA-N 1 3 300.446 2.761 20 0 DFADHO Cc1nc(F)ccc1CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000278422589 214142292 /nfs/dbraw/zinc/14/22/92/214142292.db2.gz QTVLAYJEIRMKFA-UHFFFAOYSA-N 1 3 317.408 2.759 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2cc(Cl)cs2)CC1 ZINC000278482061 214182469 /nfs/dbraw/zinc/18/24/69/214182469.db2.gz KWJIFQGWLQCRIR-UHFFFAOYSA-N 1 3 302.871 2.726 20 0 DFADHO COc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278626214 214285598 /nfs/dbraw/zinc/28/55/98/214285598.db2.gz RRYVIAYAOJREAW-HZPDHXFCSA-N 1 3 306.450 2.847 20 0 DFADHO COc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278626214 214285600 /nfs/dbraw/zinc/28/56/00/214285600.db2.gz RRYVIAYAOJREAW-HZPDHXFCSA-N 1 3 306.450 2.847 20 0 DFADHO CC1(C)[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000278629300 214288520 /nfs/dbraw/zinc/28/85/20/214288520.db2.gz GUYVCRLCRPWAPO-BZSNNMDCSA-N 1 3 315.461 2.701 20 0 DFADHO c1ccc(CCN2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000322595205 231211915 /nfs/dbraw/zinc/21/19/15/231211915.db2.gz KUYHADQAUALEBW-HSALFYBXSA-N 1 3 313.489 2.520 20 0 DFADHO c1ccc(CCN2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000322595205 231211917 /nfs/dbraw/zinc/21/19/17/231211917.db2.gz KUYHADQAUALEBW-HSALFYBXSA-N 1 3 313.489 2.520 20 0 DFADHO OC1(C[NH2+]Cc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000219059932 398346708 /nfs/dbraw/zinc/34/67/08/398346708.db2.gz VAILICIPEDGDMR-UHFFFAOYSA-N 1 3 310.441 2.803 20 0 DFADHO CC(C)C[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038827 185279315 /nfs/dbraw/zinc/27/93/15/185279315.db2.gz WEMOPJFRKQBOBZ-HNNXBMFYSA-N 1 3 305.466 2.502 20 0 DFADHO Cc1ccc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000092587123 185327292 /nfs/dbraw/zinc/32/72/92/185327292.db2.gz BCYBEIILIAPHJM-IYBDPMFKSA-N 1 3 306.450 2.909 20 0 DFADHO Cc1ccc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000092587123 185327293 /nfs/dbraw/zinc/32/72/93/185327293.db2.gz BCYBEIILIAPHJM-IYBDPMFKSA-N 1 3 306.450 2.909 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@H]2CC=CCC2)CC1 ZINC000092664660 185332533 /nfs/dbraw/zinc/33/25/33/185332533.db2.gz SOBHSGHIFPYWDN-OTWHNJEPSA-N 1 3 305.510 2.833 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@H]2CC=CCC2)CC1 ZINC000092664660 185332534 /nfs/dbraw/zinc/33/25/34/185332534.db2.gz SOBHSGHIFPYWDN-OTWHNJEPSA-N 1 3 305.510 2.833 20 0 DFADHO CN1CCC[C@@H]1CC[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592158549 398394695 /nfs/dbraw/zinc/39/46/95/398394695.db2.gz GKHGYWVPEWQPDQ-OAHLLOKOSA-N 1 3 310.482 2.915 20 0 DFADHO CC(C)CSCCCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000592185561 398399004 /nfs/dbraw/zinc/39/90/04/398399004.db2.gz ZBOKIFZFIJGNJU-UHFFFAOYSA-N 1 3 300.512 2.562 20 0 DFADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000292895218 529802167 /nfs/dbraw/zinc/80/21/67/529802167.db2.gz ZKJIMMVGCDVPQT-LJQANCHMSA-N 1 3 324.428 2.797 20 0 DFADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000292895218 529802168 /nfs/dbraw/zinc/80/21/68/529802168.db2.gz ZKJIMMVGCDVPQT-LJQANCHMSA-N 1 3 324.428 2.797 20 0 DFADHO CCOc1cc(C[NH2+]CC2CC[NH+](C)CC2)cc(Cl)c1[O-] ZINC000459429236 299103429 /nfs/dbraw/zinc/10/34/29/299103429.db2.gz PBURNVYKVHUKPR-UHFFFAOYSA-N 1 3 312.841 2.876 20 0 DFADHO CN(CCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000309750641 529889441 /nfs/dbraw/zinc/88/94/41/529889441.db2.gz ZFUOZGFDOBPDCR-MSOLQXFVSA-N 1 3 317.477 2.532 20 0 DFADHO CN(CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000294917334 529903902 /nfs/dbraw/zinc/90/39/02/529903902.db2.gz CAVHWAVQYDBVHU-DFNIBXOVSA-N 1 3 301.478 2.675 20 0 DFADHO CN(CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000294917334 529903904 /nfs/dbraw/zinc/90/39/04/529903904.db2.gz CAVHWAVQYDBVHU-DFNIBXOVSA-N 1 3 301.478 2.675 20 0 DFADHO CN(CCN1CC[C@@H]([NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000297349615 529912029 /nfs/dbraw/zinc/91/20/29/529912029.db2.gz BINVVHRZMSEOII-LJQANCHMSA-N 1 3 301.478 2.679 20 0 DFADHO COC(=O)c1ccccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592491673 398433509 /nfs/dbraw/zinc/43/35/09/398433509.db2.gz GLJQQDWOIMKBIT-JKSUJKDBSA-N 1 3 316.445 2.685 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@H]1SC ZINC000459434212 299105130 /nfs/dbraw/zinc/10/51/30/299105130.db2.gz HJIGLBNMBVUZQM-GVDBMIGSSA-N 1 3 312.523 2.892 20 0 DFADHO CN(CC1([NH+](C)C)CCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459445833 299108980 /nfs/dbraw/zinc/10/89/80/299108980.db2.gz NOISVHVSCZFSGP-GOSISDBHSA-N 1 3 301.478 2.677 20 0 DFADHO CN(C)Cc1ccc(C[NH2+]C2CCN(C3CC3)CC2)cc1F ZINC000459453221 299110360 /nfs/dbraw/zinc/11/03/60/299110360.db2.gz ALHHTHXLXNZHFU-UHFFFAOYSA-N 1 3 305.441 2.604 20 0 DFADHO CN(C)Cc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1F ZINC000459453221 299110362 /nfs/dbraw/zinc/11/03/62/299110362.db2.gz ALHHTHXLXNZHFU-UHFFFAOYSA-N 1 3 305.441 2.604 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)c3cc4ccccc4o3)CC[C@@H]21 ZINC000292807470 530058903 /nfs/dbraw/zinc/05/89/03/530058903.db2.gz MUSQRNXHZGPLRQ-IXDOHACOSA-N 1 3 314.429 2.882 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3cc4ccccc4o3)CC[C@@H]21 ZINC000292807470 530058904 /nfs/dbraw/zinc/05/89/04/530058904.db2.gz MUSQRNXHZGPLRQ-IXDOHACOSA-N 1 3 314.429 2.882 20 0 DFADHO CN(C)[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277344923 398455085 /nfs/dbraw/zinc/45/50/85/398455085.db2.gz WGCFTUNCLLLZKZ-OAHLLOKOSA-N 1 3 321.421 2.780 20 0 DFADHO CN(C)[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277344923 398455090 /nfs/dbraw/zinc/45/50/90/398455090.db2.gz WGCFTUNCLLLZKZ-OAHLLOKOSA-N 1 3 321.421 2.780 20 0 DFADHO CC(C)[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H](CO)C(C)C ZINC000459576970 299138941 /nfs/dbraw/zinc/13/89/41/299138941.db2.gz LMFSALNCGYPLEC-RBUKOAKNSA-N 1 3 319.493 2.929 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@@H]1C[C@@H]1C ZINC000414065834 295763057 /nfs/dbraw/zinc/76/30/57/295763057.db2.gz GMIIHMGEIKJIEN-UHOSZYNNSA-N 1 3 316.493 2.618 20 0 DFADHO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1OC ZINC000320271776 398546400 /nfs/dbraw/zinc/54/64/00/398546400.db2.gz UFJZIWOKKGWGSI-WBVHZDCISA-N 1 3 320.477 2.955 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000320316115 398547289 /nfs/dbraw/zinc/54/72/89/398547289.db2.gz DCAUKGJMYYCUNL-SJLPKXTDSA-N 1 3 317.477 2.575 20 0 DFADHO CSC1(CNCc2nc3c(s2)CCC3)CC[NH+](C)CC1 ZINC000589326061 398545701 /nfs/dbraw/zinc/54/57/01/398545701.db2.gz JEWMDYFVTOGKTE-UHFFFAOYSA-N 1 3 311.520 2.549 20 0 DFADHO COC(=O)c1oc(CNC2CCC(C[NH+](C)C)CC2)cc1C ZINC000597063077 398558607 /nfs/dbraw/zinc/55/86/07/398558607.db2.gz DWWUVIVVLMLKJG-UHFFFAOYSA-N 1 3 308.422 2.585 20 0 DFADHO C[C@H](c1cccc2ccccc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000323624263 398560894 /nfs/dbraw/zinc/56/08/94/398560894.db2.gz OJIPKQXUGAVYME-AEFFLSMTSA-N 1 3 309.457 2.880 20 0 DFADHO Cc1cc(C[NH2+]CC2(O)CCN(C)CC2)ccc1C(F)(F)F ZINC000414358653 295792254 /nfs/dbraw/zinc/79/22/54/295792254.db2.gz MOYVSPXMPMDCSE-UHFFFAOYSA-N 1 3 316.367 2.560 20 0 DFADHO CS[C@H]1CC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000597193105 398586384 /nfs/dbraw/zinc/58/63/84/398586384.db2.gz VDHMPIMYUOSHSA-IRXDYDNUSA-N 1 3 305.491 2.777 20 0 DFADHO COc1ccc(COCCN[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000133653804 186003386 /nfs/dbraw/zinc/00/33/86/186003386.db2.gz XQJSLOFJDCDBOI-RKVPGOIHSA-N 1 3 306.450 2.530 20 0 DFADHO COc1ccc(COCCN[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000133653804 186003388 /nfs/dbraw/zinc/00/33/88/186003388.db2.gz XQJSLOFJDCDBOI-RKVPGOIHSA-N 1 3 306.450 2.530 20 0 DFADHO COc1ccc(COCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000133654415 186003414 /nfs/dbraw/zinc/00/34/14/186003414.db2.gz XQJSLOFJDCDBOI-RVKKMQEKSA-N 1 3 306.450 2.530 20 0 DFADHO COc1ccc(COCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000133654415 186003416 /nfs/dbraw/zinc/00/34/16/186003416.db2.gz XQJSLOFJDCDBOI-RVKKMQEKSA-N 1 3 306.450 2.530 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)CCN1C ZINC000155664082 186100323 /nfs/dbraw/zinc/10/03/23/186100323.db2.gz CCBQFJKZWRUCTL-LPHOPBHVSA-N 1 3 315.505 2.896 20 0 DFADHO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc(OCCN(C)C)cc1 ZINC000164014645 186145894 /nfs/dbraw/zinc/14/58/94/186145894.db2.gz MHHKSZMBKKHZDT-PBHICJAKSA-N 1 3 308.466 2.685 20 0 DFADHO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cccc(OCCN(C)C)c1 ZINC000164042404 186147024 /nfs/dbraw/zinc/14/70/24/186147024.db2.gz ZQOLATLOUVHHJE-RHSMWYFYSA-N 1 3 308.466 2.685 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000072849549 398642245 /nfs/dbraw/zinc/64/22/45/398642245.db2.gz SHXITFUTOZYRKQ-UHFFFAOYSA-N 1 3 317.477 2.693 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000590657620 398646372 /nfs/dbraw/zinc/64/63/72/398646372.db2.gz MAOGEZGJDMFPOK-RANZSIQMSA-N 1 3 322.493 2.961 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000590657620 398646373 /nfs/dbraw/zinc/64/63/73/398646373.db2.gz MAOGEZGJDMFPOK-RANZSIQMSA-N 1 3 322.493 2.961 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414825147 295822498 /nfs/dbraw/zinc/82/24/98/295822498.db2.gz SBCOLSFKDOFBSG-IIAWOOMASA-N 1 3 304.434 2.714 20 0 DFADHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414849736 295825832 /nfs/dbraw/zinc/82/58/32/295825832.db2.gz YLCDAJNYGLYTCU-HUUCEWRRSA-N 1 3 305.466 2.972 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414858643 295826998 /nfs/dbraw/zinc/82/69/98/295826998.db2.gz SEXRJYKQYJTUPG-HRCADAONSA-N 1 3 303.450 2.690 20 0 DFADHO COc1ccc(CC[C@@H](C)[NH2+]C[C@@]2(C)CCCNC2)cc1O ZINC000414899241 295831969 /nfs/dbraw/zinc/83/19/69/295831969.db2.gz CIUIDACSYLBBMW-KDOFPFPSSA-N 1 3 306.450 2.701 20 0 DFADHO CCC(C)(C)NC(=O)[C@@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786176 398674425 /nfs/dbraw/zinc/67/44/25/398674425.db2.gz FNWOJIBOVMPTGE-OAHLLOKOSA-N 1 3 311.514 2.732 20 0 DFADHO CCC(C)(C)NC(=O)[C@@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786176 398674426 /nfs/dbraw/zinc/67/44/26/398674426.db2.gz FNWOJIBOVMPTGE-OAHLLOKOSA-N 1 3 311.514 2.732 20 0 DFADHO COc1ccc2nc(CNC[C@@H]3CCC[C@@H]([NH3+])C3)sc2c1 ZINC000414996808 295845358 /nfs/dbraw/zinc/84/53/58/295845358.db2.gz GRNINDFXAHATAW-VXGBXAGGSA-N 1 3 305.447 2.912 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000072858033 191239981 /nfs/dbraw/zinc/23/99/81/191239981.db2.gz MOYXVDGQXGVJKH-INIZCTEOSA-N 1 3 303.450 2.597 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000072858033 191239984 /nfs/dbraw/zinc/23/99/84/191239984.db2.gz MOYXVDGQXGVJKH-INIZCTEOSA-N 1 3 303.450 2.597 20 0 DFADHO CO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C12CCC2 ZINC000459794939 299194982 /nfs/dbraw/zinc/19/49/82/299194982.db2.gz VBTOSAVNYWQTJG-DLBZAZTESA-N 1 3 301.434 2.598 20 0 DFADHO C[C@@H]1C[C@@H](CNCc2cccnc2OCC(F)(F)F)CC[NH2+]1 ZINC000415081653 295855692 /nfs/dbraw/zinc/85/56/92/295855692.db2.gz KRGLULDSLBFUBF-NEPJUHHUSA-N 1 3 317.355 2.500 20 0 DFADHO CC(C)CC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)C(C)(C)C ZINC000415082831 295855787 /nfs/dbraw/zinc/85/57/87/295855787.db2.gz MLNORYHBGOZRJW-HZPDHXFCSA-N 1 3 311.514 2.624 20 0 DFADHO COc1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C ZINC000415115201 295859950 /nfs/dbraw/zinc/85/99/50/295859950.db2.gz WTPYVEKNQVEKFK-HKUYNNGSSA-N 1 3 318.461 2.722 20 0 DFADHO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000174411304 198331571 /nfs/dbraw/zinc/33/15/71/198331571.db2.gz RZLRLITVQLTMQL-MAUKXSAKSA-N 1 3 317.477 2.646 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCCOc2cc(F)ccc21 ZINC000182113468 199388648 /nfs/dbraw/zinc/38/86/48/199388648.db2.gz VGPRTELPUVEIMF-NVXWUHKLSA-N 1 3 324.440 2.986 20 0 DFADHO COCc1cccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415131665 295862809 /nfs/dbraw/zinc/86/28/09/295862809.db2.gz ZXNCIQWOMMNPCY-RBUKOAKNSA-N 1 3 318.461 2.551 20 0 DFADHO CN(C)[C@@H]1CCC[N@H+](CCc2nc3ccccc3n2C)CC1 ZINC000277050566 213263107 /nfs/dbraw/zinc/26/31/07/213263107.db2.gz CJKRCCCROPCUKT-OAHLLOKOSA-N 1 3 300.450 2.532 20 0 DFADHO CN(C)[C@@H]1CCC[N@@H+](CCc2nc3ccccc3n2C)CC1 ZINC000277050566 213263109 /nfs/dbraw/zinc/26/31/09/213263109.db2.gz CJKRCCCROPCUKT-OAHLLOKOSA-N 1 3 300.450 2.532 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000236767433 202000183 /nfs/dbraw/zinc/00/01/83/202000183.db2.gz CGNXNBTYTIDOFD-SFHVURJKSA-N 1 3 317.477 2.518 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129250015 283007440 /nfs/dbraw/zinc/00/74/40/283007440.db2.gz KSXMOQJILHDXOI-DZGCQCFKSA-N 1 3 321.431 2.723 20 0 DFADHO CN(C)CCc1ccccc1NC(=O)NCC1([NH3+])CCCCC1 ZINC000415563922 295891283 /nfs/dbraw/zinc/89/12/83/295891283.db2.gz HQUQKYYOPFTQIQ-UHFFFAOYSA-N 1 3 318.465 2.574 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C1([NH3+])CCCCC1)c1ccsc1 ZINC000236819176 202024589 /nfs/dbraw/zinc/02/45/89/202024589.db2.gz NMBMUFLIAPSXEW-HNNXBMFYSA-N 1 3 323.506 2.909 20 0 DFADHO CNCc1cccc(NC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000415933472 295903685 /nfs/dbraw/zinc/90/36/85/295903685.db2.gz PMBZOPOEGDCGFR-UHFFFAOYSA-N 1 3 318.465 2.794 20 0 DFADHO CN(C)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000415962918 295906741 /nfs/dbraw/zinc/90/67/41/295906741.db2.gz UMPVNZUDBYORRB-KRWDZBQOSA-N 1 3 312.417 2.570 20 0 DFADHO C[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)N1CCCCCC1 ZINC000132364960 283116104 /nfs/dbraw/zinc/11/61/04/283116104.db2.gz NNJFZAHPZOLVCM-QGZVFWFLSA-N 1 3 323.525 2.831 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000236837387 202032640 /nfs/dbraw/zinc/03/26/40/202032640.db2.gz HCFHWTFCBDXETO-PKOBYXMFSA-N 1 3 317.477 2.575 20 0 DFADHO CCCN(CCC(=O)Nc1cccc(F)c1)C1CC[NH2+]CC1 ZINC000262343333 535314593 /nfs/dbraw/zinc/31/45/93/535314593.db2.gz UOMMYFLLBSCTKF-UHFFFAOYSA-N 1 3 307.413 2.618 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C1([NH3+])CCCC1)c1ccsc1 ZINC000236873864 202045937 /nfs/dbraw/zinc/04/59/37/202045937.db2.gz KRXMSSYMBXBXHK-CQSZACIVSA-N 1 3 309.479 2.519 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000236906188 202062652 /nfs/dbraw/zinc/06/26/52/202062652.db2.gz FWUNJAHZIUKYLW-WMLDXEAASA-N 1 3 303.450 2.637 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000236945741 202086106 /nfs/dbraw/zinc/08/61/06/202086106.db2.gz KEYMMAIHCBAGNO-PBHICJAKSA-N 1 3 305.466 2.518 20 0 DFADHO CC[NH+](CC)Cc1cccc(NC(=O)C[C@H]2CSCCN2)c1 ZINC000236928587 202077455 /nfs/dbraw/zinc/07/74/55/202077455.db2.gz SRDLYJMTGUQPIN-INIZCTEOSA-N 1 3 321.490 2.562 20 0 DFADHO CC[C@@H](C)[C@@H](N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000236964957 202097958 /nfs/dbraw/zinc/09/79/58/202097958.db2.gz KJWFDVSZOBUYSC-HZPDHXFCSA-N 1 3 309.498 2.665 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000236966934 202098795 /nfs/dbraw/zinc/09/87/95/202098795.db2.gz DPTPVSLBNXKFBB-CRAIPNDOSA-N 1 3 317.477 2.662 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000236966934 202098798 /nfs/dbraw/zinc/09/87/98/202098798.db2.gz DPTPVSLBNXKFBB-CRAIPNDOSA-N 1 3 317.477 2.662 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000237021625 202126491 /nfs/dbraw/zinc/12/64/91/202126491.db2.gz RVRVPGHSBWWTGY-LZWOXQAQSA-N 1 3 305.466 2.605 20 0 DFADHO CN(C)Cc1cccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000075158598 398788692 /nfs/dbraw/zinc/78/86/92/398788692.db2.gz KRTOHCSSABYZBC-SFHVURJKSA-N 1 3 317.477 2.695 20 0 DFADHO CN(C)Cc1cccc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000075158598 398788693 /nfs/dbraw/zinc/78/86/93/398788693.db2.gz KRTOHCSSABYZBC-SFHVURJKSA-N 1 3 317.477 2.695 20 0 DFADHO C[N@H+](CCCNC(=O)C[C@H](N)c1ccccc1)C1CCCCC1 ZINC000237068282 202141670 /nfs/dbraw/zinc/14/16/70/202141670.db2.gz WKWUEKVVPAQWSN-SFHVURJKSA-N 1 3 317.477 2.847 20 0 DFADHO C[N@@H+](CCCNC(=O)C[C@H](N)c1ccccc1)C1CCCCC1 ZINC000237068282 202141674 /nfs/dbraw/zinc/14/16/74/202141674.db2.gz WKWUEKVVPAQWSN-SFHVURJKSA-N 1 3 317.477 2.847 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000237081672 202146478 /nfs/dbraw/zinc/14/64/78/202146478.db2.gz ZQYPNMLDCGTSTH-WMLDXEAASA-N 1 3 305.466 2.518 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1OC ZINC000237232799 202199364 /nfs/dbraw/zinc/19/93/64/202199364.db2.gz HEHIXVXLSOCVCN-CVEARBPZSA-N 1 3 320.477 2.956 20 0 DFADHO C[C@@H](Cn1cccn1)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000138728591 283257998 /nfs/dbraw/zinc/25/79/98/283257998.db2.gz KCECOHMNUZFVJT-IRXDYDNUSA-N 1 3 300.450 2.772 20 0 DFADHO C[C@@H](Cn1cccn1)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000138728591 283258001 /nfs/dbraw/zinc/25/80/01/283258001.db2.gz KCECOHMNUZFVJT-IRXDYDNUSA-N 1 3 300.450 2.772 20 0 DFADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)Cn2cccn2)c1 ZINC000139125646 283259014 /nfs/dbraw/zinc/25/90/14/283259014.db2.gz MBYHQLDMGURFDO-MRXNPFEDSA-N 1 3 300.450 2.902 20 0 DFADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)Cn2cccn2)c1 ZINC000139125646 283259016 /nfs/dbraw/zinc/25/90/16/283259016.db2.gz MBYHQLDMGURFDO-MRXNPFEDSA-N 1 3 300.450 2.902 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000594494469 398808952 /nfs/dbraw/zinc/80/89/52/398808952.db2.gz GOAUKYYGCARXBA-KSSFIOAISA-N 1 3 316.445 2.782 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000594494469 398808955 /nfs/dbraw/zinc/80/89/55/398808955.db2.gz GOAUKYYGCARXBA-KSSFIOAISA-N 1 3 316.445 2.782 20 0 DFADHO COCC[NH+]1CCC(N[C@H](C)c2ccccc2N(C)C)CC1 ZINC000179404321 199030068 /nfs/dbraw/zinc/03/00/68/199030068.db2.gz NIRTXQPBTPIXAQ-OAHLLOKOSA-N 1 3 305.466 2.514 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CN(C)C)CCC2 ZINC000594524483 398816301 /nfs/dbraw/zinc/81/63/01/398816301.db2.gz QPAMCJBAUHFLFG-SUMWQHHRSA-N 1 3 304.434 2.638 20 0 DFADHO COC(=O)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000152489726 283326170 /nfs/dbraw/zinc/32/61/70/283326170.db2.gz QQOCRMDYKHDLFZ-UHFFFAOYSA-N 1 3 323.481 2.604 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000180109559 199118696 /nfs/dbraw/zinc/11/86/96/199118696.db2.gz NVWVXTZITRVWEF-YLJYHZDGSA-N 1 3 315.505 2.846 20 0 DFADHO C[C@@H](NCCOCC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000276681734 213042680 /nfs/dbraw/zinc/04/26/80/213042680.db2.gz QRHUFKAQTXDYKR-CYBMUJFWSA-N 1 3 316.392 2.559 20 0 DFADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000467613376 299273768 /nfs/dbraw/zinc/27/37/68/299273768.db2.gz LTINSLFITNSWFO-DLBZAZTESA-N 1 3 323.525 2.734 20 0 DFADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000467613376 299273770 /nfs/dbraw/zinc/27/37/70/299273770.db2.gz LTINSLFITNSWFO-DLBZAZTESA-N 1 3 323.525 2.734 20 0 DFADHO COc1cc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)ccc1F ZINC000152893618 283344327 /nfs/dbraw/zinc/34/43/27/283344327.db2.gz GZABLAAEWMCDTK-OAHLLOKOSA-N 1 3 323.456 2.513 20 0 DFADHO CCC(CC)[C@H](CN[C@H](C)[C@@H]1C[C@H]1C(=O)OC)[NH+]1CCCC1 ZINC000594914180 398869777 /nfs/dbraw/zinc/86/97/77/398869777.db2.gz DZKUOULZQMCMKH-XBVQOTNRSA-N 1 3 310.482 2.674 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000468141409 299276885 /nfs/dbraw/zinc/27/68/85/299276885.db2.gz DGITYYGNSSTGRH-IYBDPMFKSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N1CCCCCC1 ZINC000175953524 283416203 /nfs/dbraw/zinc/41/62/03/283416203.db2.gz WHMSGYCRTCZOGF-MSOLQXFVSA-N 1 3 321.509 2.728 20 0 DFADHO CCOC(=O)c1[nH]c(C)c(C[NH2+]CCCN2CCCCC2)c1C ZINC000598953473 398896038 /nfs/dbraw/zinc/89/60/38/398896038.db2.gz WQWMSXDHXBMVTD-UHFFFAOYSA-N 1 3 321.465 2.774 20 0 DFADHO CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCCN(CC)C2)c1C ZINC000598959326 398897713 /nfs/dbraw/zinc/89/77/13/398897713.db2.gz ILYDRVIRDQPCBI-HNNXBMFYSA-N 1 3 321.465 2.630 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](Cc2ccccc2)C(C)C)CC1 ZINC000186999238 200045447 /nfs/dbraw/zinc/04/54/47/200045447.db2.gz QLXRHIVJJWOCDP-HXUWFJFHSA-N 1 3 317.521 2.871 20 0 DFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187281851 200088336 /nfs/dbraw/zinc/08/83/36/200088336.db2.gz JETVFMNUHRJOKG-SJORKVTESA-N 1 3 315.461 2.558 20 0 DFADHO C[C@@H](C[C@H]1COCCN1)[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000261949434 296002277 /nfs/dbraw/zinc/00/22/77/296002277.db2.gz WBVHBAGDCQXKLX-ROUUACIJSA-N 1 3 323.525 2.532 20 0 DFADHO C[C@@H](C[C@H]1COCCN1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000261949434 296002278 /nfs/dbraw/zinc/00/22/78/296002278.db2.gz WBVHBAGDCQXKLX-ROUUACIJSA-N 1 3 323.525 2.532 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(Cl)cc1F ZINC000189376613 200390556 /nfs/dbraw/zinc/39/05/56/200390556.db2.gz MCATYEPKHOVJIB-AWEZNQCLSA-N 1 3 302.821 2.926 20 0 DFADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000271898685 209306749 /nfs/dbraw/zinc/30/67/49/209306749.db2.gz VBGLIQBNQOSJSH-CQSZACIVSA-N 1 3 315.417 2.556 20 0 DFADHO COC(=O)[C@@](C)(CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600150590 398973090 /nfs/dbraw/zinc/97/30/90/398973090.db2.gz FDHDPVPMYQHFLL-APWZRJJASA-N 1 3 318.461 2.580 20 0 DFADHO COC(=O)[C@@](C)(CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600150590 398973096 /nfs/dbraw/zinc/97/30/96/398973096.db2.gz FDHDPVPMYQHFLL-APWZRJJASA-N 1 3 318.461 2.580 20 0 DFADHO COC(=O)CCCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000599431576 398979213 /nfs/dbraw/zinc/97/92/13/398979213.db2.gz LDGBEXSKSJVSCN-UHFFFAOYSA-N 1 3 304.434 2.584 20 0 DFADHO CC(C)N1CCC([N@H+](C)Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417706418 296042547 /nfs/dbraw/zinc/04/25/47/296042547.db2.gz UDHAFHUBWZCDNO-UHFFFAOYSA-N 1 3 317.477 2.693 20 0 DFADHO CC(C)N1CCC([N@@H+](C)Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417706418 296042548 /nfs/dbraw/zinc/04/25/48/296042548.db2.gz UDHAFHUBWZCDNO-UHFFFAOYSA-N 1 3 317.477 2.693 20 0 DFADHO C[NH+](C)CCOCCN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000447597652 297310037 /nfs/dbraw/zinc/31/00/37/297310037.db2.gz SYXRIIVFYXUIAC-HNNXBMFYSA-N 1 3 312.841 2.722 20 0 DFADHO CN1C[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]2C1 ZINC000194536399 201246204 /nfs/dbraw/zinc/24/62/04/201246204.db2.gz ISUSQHHXGZCMIH-HDICACEKSA-N 1 3 323.440 2.654 20 0 DFADHO CN1C[C@@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]2C1 ZINC000194536399 201246208 /nfs/dbraw/zinc/24/62/08/201246208.db2.gz ISUSQHHXGZCMIH-HDICACEKSA-N 1 3 323.440 2.654 20 0 DFADHO C[C@@H](C[NH2+]Cc1ccnc(OCCN(C)C)c1)c1ccccc1 ZINC000194576817 201254827 /nfs/dbraw/zinc/25/48/27/201254827.db2.gz JEAPPPWUFWELRB-INIZCTEOSA-N 1 3 313.445 2.915 20 0 DFADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2C(=O)N(C)C)C[C@@H]1C ZINC000417796562 296051743 /nfs/dbraw/zinc/05/17/43/296051743.db2.gz SKJSCPZQCLXNOG-RDJZCZTQSA-N 1 3 317.477 2.693 20 0 DFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2C(=O)N(C)C)C[C@@H]1C ZINC000417796562 296051745 /nfs/dbraw/zinc/05/17/45/296051745.db2.gz SKJSCPZQCLXNOG-RDJZCZTQSA-N 1 3 317.477 2.693 20 0 DFADHO CC[NH2+]CC1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000417818458 296054291 /nfs/dbraw/zinc/05/42/91/296054291.db2.gz SJFYXXWNVADGJG-QGZVFWFLSA-N 1 3 317.477 2.561 20 0 DFADHO CCC[C@H](C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1)N(C)C ZINC000131590028 283760437 /nfs/dbraw/zinc/76/04/37/283760437.db2.gz RJAKIHGMIFZCBV-GOSISDBHSA-N 1 3 319.493 2.827 20 0 DFADHO CN(C)CC1(C[NH2+]Cc2ccccc2C(=O)N(C)C)CCCC1 ZINC000418002046 296070495 /nfs/dbraw/zinc/07/04/95/296070495.db2.gz YIOJRMDABQJRQE-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO OC[C@H](CC1CCCCC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000418125925 296079536 /nfs/dbraw/zinc/07/95/36/296079536.db2.gz KHJDCLRYUXQZSC-SFHVURJKSA-N 1 3 317.477 2.971 20 0 DFADHO CC[C@H](C)N[C@@H](CNC(=O)NCC([NH3+])(CC)CC)c1ccco1 ZINC000418158865 296080939 /nfs/dbraw/zinc/08/09/39/296080939.db2.gz BSNXJIPDKIKNNW-KBPBESRZSA-N 1 3 324.469 2.526 20 0 DFADHO c1ccc([C@H]2OCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000477925143 299364631 /nfs/dbraw/zinc/36/46/31/299364631.db2.gz HWUKPECPGOSWPY-NCXUSEDFSA-N 1 3 300.446 2.981 20 0 DFADHO c1ccc([C@H]2OCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000477925143 299364633 /nfs/dbraw/zinc/36/46/33/299364633.db2.gz HWUKPECPGOSWPY-NCXUSEDFSA-N 1 3 300.446 2.981 20 0 DFADHO C[NH+]1CCC(O)(CNCc2c(Cl)oc3ccccc32)CC1 ZINC000270512110 283950492 /nfs/dbraw/zinc/95/04/92/283950492.db2.gz OXZGUEHMKABWCD-UHFFFAOYSA-N 1 3 308.809 2.633 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000271774136 209201911 /nfs/dbraw/zinc/20/19/11/209201911.db2.gz UTFTZWPJKUTBPL-INIZCTEOSA-N 1 3 308.853 2.837 20 0 DFADHO CCN(CC)CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000479305649 299374562 /nfs/dbraw/zinc/37/45/62/299374562.db2.gz HYJUSJLUYLEJRN-UHFFFAOYSA-N 1 3 317.477 2.631 20 0 DFADHO N[C@@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000621780943 399076126 /nfs/dbraw/zinc/07/61/26/399076126.db2.gz XNYHHATWOYSJJK-OXJNMPFZSA-N 1 3 323.440 2.982 20 0 DFADHO N[C@@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000621780943 399076133 /nfs/dbraw/zinc/07/61/33/399076133.db2.gz XNYHHATWOYSJJK-OXJNMPFZSA-N 1 3 323.440 2.982 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292367117 299377737 /nfs/dbraw/zinc/37/77/37/299377737.db2.gz YZINGKAUQPOXHP-BMGDILEWSA-N 1 3 317.477 2.912 20 0 DFADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000479588918 299380524 /nfs/dbraw/zinc/38/05/24/299380524.db2.gz JYHRBUHXXUOYIM-HOTGVXAUSA-N 1 3 321.509 2.630 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)[C@@H](C)c1ccccc1 ZINC000128277202 296123302 /nfs/dbraw/zinc/12/33/02/296123302.db2.gz LDOWLQIASHMEMA-QZTJIDSGSA-N 1 3 303.494 2.796 20 0 DFADHO CC[C@H](C)CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000481074565 299391448 /nfs/dbraw/zinc/39/14/48/299391448.db2.gz NDCRHOWCIKPNQZ-KRWDZBQOSA-N 1 3 319.493 2.795 20 0 DFADHO CCN1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000338147402 284091042 /nfs/dbraw/zinc/09/10/42/284091042.db2.gz FOJHMDQOGNHKSZ-GOSISDBHSA-N 1 3 317.477 2.743 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419327191 296134623 /nfs/dbraw/zinc/13/46/23/296134623.db2.gz NIPIJINDBXUYAG-IAGOWNOFSA-N 1 3 323.525 2.734 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000261884786 203143888 /nfs/dbraw/zinc/14/38/88/203143888.db2.gz UXKVMCYWEQHEIV-ZBFHGGJFSA-N 1 3 323.506 2.637 20 0 DFADHO CN(Cc1cnc(-c2ccccn2)s1)CC1CC[NH+](C)CC1 ZINC000093089388 193203220 /nfs/dbraw/zinc/20/32/20/193203220.db2.gz HWLGSFSQCUJUJY-UHFFFAOYSA-N 1 3 316.474 2.979 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@H]2C)[C@@H]1SC ZINC000459367695 317322825 /nfs/dbraw/zinc/32/28/25/317322825.db2.gz BVNWLERQTYLERZ-QXSJWSMHSA-N 1 3 300.512 2.750 20 0 DFADHO CCC[C@@](C)(N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000262095435 203196963 /nfs/dbraw/zinc/19/69/63/203196963.db2.gz BNVRURBJTHKWQY-MAUKXSAKSA-N 1 3 305.466 2.531 20 0 DFADHO CCC[C@@](C)(N)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000262095435 203196967 /nfs/dbraw/zinc/19/69/67/203196967.db2.gz BNVRURBJTHKWQY-MAUKXSAKSA-N 1 3 305.466 2.531 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000262465769 203302522 /nfs/dbraw/zinc/30/25/22/203302522.db2.gz WGXDVAIDIOBLTK-ZOBUZTSGSA-N 1 3 317.477 2.620 20 0 DFADHO CC1CC[NH+](Cc2ccc(NC(=O)CNCC3CC3)cc2)CC1 ZINC000262659013 203368882 /nfs/dbraw/zinc/36/88/82/203368882.db2.gz FDMUKFMZFWRQRF-UHFFFAOYSA-N 1 3 315.461 2.857 20 0 DFADHO Cc1nn(C)cc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000093769279 193304029 /nfs/dbraw/zinc/30/40/29/193304029.db2.gz VDAVCAFWOJLALW-UHFFFAOYSA-N 1 3 304.482 2.817 20 0 DFADHO CCCc1cc(N2CCN([C@H]3CC[NH2+]C3)CC2)c2ccccc2n1 ZINC000420253142 296165906 /nfs/dbraw/zinc/16/59/06/296165906.db2.gz DCSFQAVODDLPPU-KRWDZBQOSA-N 1 3 324.472 2.671 20 0 DFADHO Cc1cc(N2C[C@H](C[NH3+])C3(C2)CCOCC3)c2ccccc2n1 ZINC000420276605 296168384 /nfs/dbraw/zinc/16/83/84/296168384.db2.gz PHJWZSFSWDVRLK-HNNXBMFYSA-N 1 3 311.429 2.735 20 0 DFADHO Cc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)c2cc(OC(F)F)ccc2n1 ZINC000420278057 296168493 /nfs/dbraw/zinc/16/84/93/296168493.db2.gz NSESHMDCVVZBGP-RNCFNFMXSA-N 1 3 307.344 2.928 20 0 DFADHO COc1ccccc1CN(CC[C@@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000420297428 296170740 /nfs/dbraw/zinc/17/07/40/296170740.db2.gz DITSJFGLNVVWOF-FUHWJXTLSA-N 1 3 318.461 2.676 20 0 DFADHO COc1ccccc1CN(CC[C@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000420297429 296170823 /nfs/dbraw/zinc/17/08/23/296170823.db2.gz DITSJFGLNVVWOF-SJLPKXTDSA-N 1 3 318.461 2.676 20 0 DFADHO CCCN(C)CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000341619288 284270673 /nfs/dbraw/zinc/27/06/73/284270673.db2.gz SWYWHWYVJLGTCR-INIZCTEOSA-N 1 3 317.477 2.670 20 0 DFADHO CC(C)[N@H+](C[C@H](C)N)C[C@H](O)COc1cccc2ccccc21 ZINC000420302984 296172086 /nfs/dbraw/zinc/17/20/86/296172086.db2.gz KEHONDIVGLGETH-RDJZCZTQSA-N 1 3 316.445 2.637 20 0 DFADHO CC(C)[N@@H+](C[C@H](C)N)C[C@H](O)COc1cccc2ccccc21 ZINC000420302984 296172087 /nfs/dbraw/zinc/17/20/87/296172087.db2.gz KEHONDIVGLGETH-RDJZCZTQSA-N 1 3 316.445 2.637 20 0 DFADHO CCN(CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420301105 296171807 /nfs/dbraw/zinc/17/18/07/296171807.db2.gz LAWNFWLSFRTKOQ-FUHWJXTLSA-N 1 3 315.461 2.504 20 0 DFADHO C[C@@H]([NH3+])C1CCN(CCOc2ccc(Cl)c(F)c2)CC1 ZINC000420304701 296172060 /nfs/dbraw/zinc/17/20/60/296172060.db2.gz YJVPOXSCLATMAP-LLVKDONJSA-N 1 3 300.805 2.917 20 0 DFADHO Clc1cccc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420307957 296172822 /nfs/dbraw/zinc/17/28/22/296172822.db2.gz RTGDPQJFGWSKEV-INIZCTEOSA-N 1 3 321.896 2.847 20 0 DFADHO Cc1ccc(Cl)cc1N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420311490 296173334 /nfs/dbraw/zinc/17/33/34/296173334.db2.gz WBFBDIGFZDRPFE-HNNXBMFYSA-N 1 3 307.869 2.770 20 0 DFADHO FC(F)(F)c1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000420320095 296174578 /nfs/dbraw/zinc/17/45/78/296174578.db2.gz STKTYJDSFFQPDU-CYBMUJFWSA-N 1 3 313.367 2.922 20 0 DFADHO C[C@@H](c1ccc(F)cc1F)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420324889 296175152 /nfs/dbraw/zinc/17/51/52/296175152.db2.gz VPNSRQOVRUIKML-LSDHHAIUSA-N 1 3 323.431 2.643 20 0 DFADHO [NH3+]C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)CC12CCOCC2 ZINC000420321260 296174930 /nfs/dbraw/zinc/17/49/30/296174930.db2.gz COZYGRMVVREVNG-PBHICJAKSA-N 1 3 304.409 2.500 20 0 DFADHO Cc1ccc(NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420331377 296176349 /nfs/dbraw/zinc/17/63/49/296176349.db2.gz BVGWJYMRUIMBEB-IAGOWNOFSA-N 1 3 315.461 2.563 20 0 DFADHO Cc1ccccc1NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331186 296176518 /nfs/dbraw/zinc/17/65/18/296176518.db2.gz BSXLTWQZAAZNQR-BBWFWOEESA-N 1 3 315.461 2.644 20 0 DFADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420335084 296176662 /nfs/dbraw/zinc/17/66/62/296176662.db2.gz JWMRVHWRVWRSPD-QAPCUYQASA-N 1 3 321.509 2.630 20 0 DFADHO CSc1ccccc1CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420327166 296175765 /nfs/dbraw/zinc/17/57/65/296175765.db2.gz KUNJTINVGIEVEE-OAHLLOKOSA-N 1 3 306.475 2.596 20 0 DFADHO C[C@H](c1nc(-c2ccccc2)no1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420338038 296177253 /nfs/dbraw/zinc/17/72/53/296177253.db2.gz NPSVJZZTUCYHLJ-BMFZPTHFSA-N 1 3 312.417 2.729 20 0 DFADHO CC(=O)c1ccccc1OCCN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339456 296177469 /nfs/dbraw/zinc/17/74/69/296177469.db2.gz LSKSMVVRMDVRBK-SJORKVTESA-N 1 3 316.445 2.590 20 0 DFADHO COC(=O)c1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)s1 ZINC000420334651 296176791 /nfs/dbraw/zinc/17/67/91/296176791.db2.gz JPNYTUSHMOQBNL-HNNXBMFYSA-N 1 3 322.474 2.807 20 0 DFADHO C[C@@H](c1cccc(F)c1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000420352998 296178829 /nfs/dbraw/zinc/17/88/29/296178829.db2.gz BDVHPBYCKCUASB-INIZCTEOSA-N 1 3 319.468 2.894 20 0 DFADHO COc1ccc([C@H](C[NH3+])CN(C)C[C@H](C)c2nccs2)cc1 ZINC000420354740 296179127 /nfs/dbraw/zinc/17/91/27/296179127.db2.gz DFDRADMGTYDFBB-DZGCQCFKSA-N 1 3 319.474 2.930 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+](C)C[C@H](C)c2nccs2)cc1 ZINC000420354740 296179128 /nfs/dbraw/zinc/17/91/28/296179128.db2.gz DFDRADMGTYDFBB-DZGCQCFKSA-N 1 3 319.474 2.930 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+](C)C[C@H](C)c2nccs2)cc1 ZINC000420354740 296179129 /nfs/dbraw/zinc/17/91/29/296179129.db2.gz DFDRADMGTYDFBB-DZGCQCFKSA-N 1 3 319.474 2.930 20 0 DFADHO COc1cccc(NC(=O)CCN[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000420365777 296180823 /nfs/dbraw/zinc/18/08/23/296180823.db2.gz LONQCACXJHUDBA-KRWDZBQOSA-N 1 3 319.449 2.521 20 0 DFADHO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420372323 296181941 /nfs/dbraw/zinc/18/19/41/296181941.db2.gz FCQXDBCJFNOWHD-IAGOWNOFSA-N 1 3 317.412 2.664 20 0 DFADHO CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420372323 296181942 /nfs/dbraw/zinc/18/19/42/296181942.db2.gz FCQXDBCJFNOWHD-IAGOWNOFSA-N 1 3 317.412 2.664 20 0 DFADHO Cc1ccc([C@H](NCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000420371100 296182035 /nfs/dbraw/zinc/18/20/35/296182035.db2.gz KGSGWPVVAVUVFC-HXUWFJFHSA-N 1 3 309.457 2.579 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCSc3ccccc3)CC2)C1 ZINC000420396852 296185653 /nfs/dbraw/zinc/18/56/53/296185653.db2.gz WMYSSPUEHBQLBR-SJLPKXTDSA-N 1 3 320.502 2.997 20 0 DFADHO C[C@@H](NCCN1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000420410150 296187590 /nfs/dbraw/zinc/18/75/90/296187590.db2.gz RCZBMUCTHYLHJN-LLVKDONJSA-N 1 3 302.249 2.549 20 0 DFADHO CC(C)[C@H](NCCN1CC[NH2+]CC1)c1ccc(Cl)cc1F ZINC000420415794 296187806 /nfs/dbraw/zinc/18/78/06/296187806.db2.gz VHUDGWMAPRTHKM-INIZCTEOSA-N 1 3 313.848 2.671 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000282758639 217230294 /nfs/dbraw/zinc/23/02/94/217230294.db2.gz BIIIHQYFMQYDJA-HOJAQTOUSA-N 1 3 315.505 2.796 20 0 DFADHO CCOc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000271694852 209133787 /nfs/dbraw/zinc/13/37/87/209133787.db2.gz MLDUOPFNSCPUIR-UHFFFAOYSA-N 1 3 319.493 2.543 20 0 DFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000373013126 284345890 /nfs/dbraw/zinc/34/58/90/284345890.db2.gz HQSVBMCDQKYUMT-FUHWJXTLSA-N 1 3 321.509 2.584 20 0 DFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000373013126 284345893 /nfs/dbraw/zinc/34/58/93/284345893.db2.gz HQSVBMCDQKYUMT-FUHWJXTLSA-N 1 3 321.509 2.584 20 0 DFADHO CC[NH+]1CCC(NCc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000282790020 217253541 /nfs/dbraw/zinc/25/35/41/217253541.db2.gz YMEIIHLZJIJNOV-UHFFFAOYSA-N 1 3 312.461 2.969 20 0 DFADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000618660375 399200340 /nfs/dbraw/zinc/20/03/40/399200340.db2.gz JMZMHYQAMXCHFN-VVLHAWIVSA-N 1 3 321.509 2.771 20 0 DFADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000618660375 399200342 /nfs/dbraw/zinc/20/03/42/399200342.db2.gz JMZMHYQAMXCHFN-VVLHAWIVSA-N 1 3 321.509 2.771 20 0 DFADHO CC(CN(C)CC[C@@H]1CCCO1)C[N@H+](C)CC[C@@H]1CCCO1 ZINC000342607939 284379273 /nfs/dbraw/zinc/37/92/73/284379273.db2.gz RXWBECQQXYLWGV-ROUUACIJSA-N 1 3 312.498 2.624 20 0 DFADHO CC(CN(C)CC[C@@H]1CCCO1)C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342607939 284379276 /nfs/dbraw/zinc/37/92/76/284379276.db2.gz RXWBECQQXYLWGV-ROUUACIJSA-N 1 3 312.498 2.624 20 0 DFADHO CCC1CC([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000342707695 284393487 /nfs/dbraw/zinc/39/34/87/284393487.db2.gz JOIONQFQQNNWKE-UHFFFAOYSA-N 1 3 302.462 2.922 20 0 DFADHO CCOC(=O)C1(C)CC(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000601275764 399268613 /nfs/dbraw/zinc/26/86/13/399268613.db2.gz DUKZQJWHBZPRDM-RXDZZFBJSA-N 1 3 322.493 2.961 20 0 DFADHO CCOC(=O)C1(C)CC(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000601275764 399268616 /nfs/dbraw/zinc/26/86/16/399268616.db2.gz DUKZQJWHBZPRDM-RXDZZFBJSA-N 1 3 322.493 2.961 20 0 DFADHO CCOC(=O)C1(C)CC([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000601275764 399268619 /nfs/dbraw/zinc/26/86/19/399268619.db2.gz DUKZQJWHBZPRDM-RXDZZFBJSA-N 1 3 322.493 2.961 20 0 DFADHO CN(C)CCN1CCC([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421337524 296245575 /nfs/dbraw/zinc/24/55/75/296245575.db2.gz ZGUHSHSCBGKXAY-UHFFFAOYSA-N 1 3 301.478 2.680 20 0 DFADHO CC[NH+]1CCC(N2CCCN(Cc3occc3C)CC2)CC1 ZINC000421366676 296249035 /nfs/dbraw/zinc/24/90/35/296249035.db2.gz DBZOLKHLEBHPMW-UHFFFAOYSA-N 1 3 305.466 2.580 20 0 DFADHO CCN1CCC([N@@H+]2CCCN(Cc3occc3C)CC2)CC1 ZINC000421366676 296249037 /nfs/dbraw/zinc/24/90/37/296249037.db2.gz DBZOLKHLEBHPMW-UHFFFAOYSA-N 1 3 305.466 2.580 20 0 DFADHO CCN1CCC([N@H+]2CCCN(Cc3occc3C)CC2)CC1 ZINC000421366676 296249039 /nfs/dbraw/zinc/24/90/39/296249039.db2.gz DBZOLKHLEBHPMW-UHFFFAOYSA-N 1 3 305.466 2.580 20 0 DFADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](N)CCSC)c1 ZINC000040463762 183072118 /nfs/dbraw/zinc/07/21/18/183072118.db2.gz QCXRZDSFAKXVNR-HNNXBMFYSA-N 1 3 309.479 2.547 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@H]1CCOC1 ZINC000344587502 284653403 /nfs/dbraw/zinc/65/34/03/284653403.db2.gz IGPBAUHBQIUABM-WMZOPIPTSA-N 1 3 306.450 2.532 20 0 DFADHO CN(C)CCN(C)CCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000623088435 399325061 /nfs/dbraw/zinc/32/50/61/399325061.db2.gz LYBRJQASADLLES-UHFFFAOYSA-N 1 3 317.399 2.679 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363186 399372647 /nfs/dbraw/zinc/37/26/47/399372647.db2.gz FBEAKYVIFVHKHT-IAGOWNOFSA-N 1 3 307.457 2.891 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363186 399372649 /nfs/dbraw/zinc/37/26/49/399372649.db2.gz FBEAKYVIFVHKHT-IAGOWNOFSA-N 1 3 307.457 2.891 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363186 399372650 /nfs/dbraw/zinc/37/26/50/399372650.db2.gz FBEAKYVIFVHKHT-IAGOWNOFSA-N 1 3 307.457 2.891 20 0 DFADHO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623418503 399384735 /nfs/dbraw/zinc/38/47/35/399384735.db2.gz SOJFYDMTJDFQHW-HIFRSBDPSA-N 1 3 304.434 2.981 20 0 DFADHO C[N@@H+]1CC[C@@H](N[C@H](CO)Cc2c[nH]c3ccccc23)CC1(C)C ZINC000623421715 399385932 /nfs/dbraw/zinc/38/59/32/399385932.db2.gz XLCIKELKUYKJRR-CVEARBPZSA-N 1 3 315.461 2.534 20 0 DFADHO C[N@H+]1CC[C@@H](N[C@H](CO)Cc2c[nH]c3ccccc23)CC1(C)C ZINC000623421715 399385936 /nfs/dbraw/zinc/38/59/36/399385936.db2.gz XLCIKELKUYKJRR-CVEARBPZSA-N 1 3 315.461 2.534 20 0 DFADHO CCCC[N@H+](C)CC1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000052209217 183853675 /nfs/dbraw/zinc/85/36/75/183853675.db2.gz VCBLGOQZEPPEJJ-KRWDZBQOSA-N 1 3 314.514 2.606 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000052209217 183853678 /nfs/dbraw/zinc/85/36/78/183853678.db2.gz VCBLGOQZEPPEJJ-KRWDZBQOSA-N 1 3 314.514 2.606 20 0 DFADHO COCCOc1cccc(CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422560473 296312647 /nfs/dbraw/zinc/31/26/47/296312647.db2.gz GWSBQAVZTIRJTN-INMHGKMJSA-N 1 3 306.450 2.517 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422640029 296317112 /nfs/dbraw/zinc/31/71/12/296317112.db2.gz UNYNRRNFOUTDJM-NFAWXSAZSA-N 1 3 321.440 2.768 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000422640029 296317113 /nfs/dbraw/zinc/31/71/13/296317113.db2.gz UNYNRRNFOUTDJM-NFAWXSAZSA-N 1 3 321.440 2.768 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000422640029 296317114 /nfs/dbraw/zinc/31/71/14/296317114.db2.gz UNYNRRNFOUTDJM-NFAWXSAZSA-N 1 3 321.440 2.768 20 0 DFADHO COc1ccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1F ZINC000422702060 296318383 /nfs/dbraw/zinc/31/83/83/296318383.db2.gz CZGFABVUPZYWMP-LBPRGKRZSA-N 1 3 317.408 2.890 20 0 DFADHO Cc1cccc2oc(CCN[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)nc21 ZINC000268916855 207084017 /nfs/dbraw/zinc/08/40/17/207084017.db2.gz JEAFCGQNSAVOQN-SOUVJXGZSA-N 1 3 301.434 2.997 20 0 DFADHO Cc1cccc2oc(CCN[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)nc21 ZINC000268916855 207084018 /nfs/dbraw/zinc/08/40/18/207084018.db2.gz JEAFCGQNSAVOQN-SOUVJXGZSA-N 1 3 301.434 2.997 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2ccc(Cl)cc2)CC1 ZINC000422705983 296319111 /nfs/dbraw/zinc/31/91/11/296319111.db2.gz SLWNOVZPKCOMIC-APHBMKBZSA-N 1 3 308.853 2.714 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422705983 296319112 /nfs/dbraw/zinc/31/91/12/296319112.db2.gz SLWNOVZPKCOMIC-APHBMKBZSA-N 1 3 308.853 2.714 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1(C)C ZINC000623507234 399404594 /nfs/dbraw/zinc/40/45/94/399404594.db2.gz ADLAYMVASXZOBR-JENIJYKNSA-N 1 3 320.452 2.754 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1(C)C ZINC000623507234 399404597 /nfs/dbraw/zinc/40/45/97/399404597.db2.gz ADLAYMVASXZOBR-JENIJYKNSA-N 1 3 320.452 2.754 20 0 DFADHO C[C@@H](NCCc1cc(Br)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000422709953 296319715 /nfs/dbraw/zinc/31/97/15/296319715.db2.gz ZZSHXKIGBUAWDW-ZYHUDNBSSA-N 1 3 315.230 2.718 20 0 DFADHO CCCCN(C)CCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422706639 296319481 /nfs/dbraw/zinc/31/94/81/296319481.db2.gz FQLMHVWFMVQQEK-MOPGFXCFSA-N 1 3 319.493 2.810 20 0 DFADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC(CC[NH+](C)C)CC1 ZINC000056522630 184014984 /nfs/dbraw/zinc/01/49/84/184014984.db2.gz YCBFWIHSNLBXRC-PQUAAJSLSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422712918 296320042 /nfs/dbraw/zinc/32/00/42/296320042.db2.gz IXSWWVUTXAQXJO-NXWXRZEISA-N 1 3 313.489 2.948 20 0 DFADHO Cc1cc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc(N2CCCC2)n1 ZINC000623527992 399409157 /nfs/dbraw/zinc/40/91/57/399409157.db2.gz SIEVRLCQUGKNAS-KRWDZBQOSA-N 1 3 316.493 2.953 20 0 DFADHO CC(C)CC(=O)Nc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422723737 296321584 /nfs/dbraw/zinc/32/15/84/296321584.db2.gz SGKMYGHWPYFQHL-WBVHZDCISA-N 1 3 303.450 2.888 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000422721408 296321363 /nfs/dbraw/zinc/32/13/63/296321363.db2.gz VILGKSSGNZKBED-CHWSQXEVSA-N 1 3 301.390 2.747 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000422721410 296321475 /nfs/dbraw/zinc/32/14/75/296321475.db2.gz VILGKSSGNZKBED-QWHCGFSZSA-N 1 3 301.390 2.747 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000422726151 296322100 /nfs/dbraw/zinc/32/21/00/296322100.db2.gz DGHHXZPXSVTBHB-RTBURBONSA-N 1 3 301.478 2.901 20 0 DFADHO CN(C)C(=O)C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCCC1 ZINC000422728000 296322560 /nfs/dbraw/zinc/32/25/60/296322560.db2.gz INXFHZSIWIUFQS-BRWVUGGUSA-N 1 3 321.509 2.535 20 0 DFADHO CCN(CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422729062 296322719 /nfs/dbraw/zinc/32/27/19/296322719.db2.gz HIQMYKBDGKTKEI-SWDXFRIISA-N 1 3 301.478 2.942 20 0 DFADHO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000602288428 399419517 /nfs/dbraw/zinc/41/95/17/399419517.db2.gz YIZGSVBZHUSEAE-CRAIPNDOSA-N 1 3 308.466 2.514 20 0 DFADHO CCOC(=O)CCC1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000610997834 399426964 /nfs/dbraw/zinc/42/69/64/399426964.db2.gz KBEUVUNRXZBOHS-KRWDZBQOSA-N 1 3 310.482 2.916 20 0 DFADHO CCOC(=O)CCC1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000610997834 399426967 /nfs/dbraw/zinc/42/69/67/399426967.db2.gz KBEUVUNRXZBOHS-KRWDZBQOSA-N 1 3 310.482 2.916 20 0 DFADHO Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]2CCCCN(C)C2)o1 ZINC000623656821 399437075 /nfs/dbraw/zinc/43/70/75/399437075.db2.gz CPHAVEWISYNDTF-HNNXBMFYSA-N 1 3 316.449 2.810 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC000269074101 207222031 /nfs/dbraw/zinc/22/20/31/207222031.db2.gz XZDRNTYQWUPBOX-LBPRGKRZSA-N 1 3 316.367 2.813 20 0 DFADHO CCOC(=O)c1ccc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)[nH]1 ZINC000602513261 399465024 /nfs/dbraw/zinc/46/50/24/399465024.db2.gz FJOJKIAVLPIMFQ-OAHLLOKOSA-N 1 3 321.465 2.793 20 0 DFADHO CCOC(=O)c1ccc(CNCCCC[N@H+]2CCC[C@@H](C)C2)[nH]1 ZINC000602513261 399465025 /nfs/dbraw/zinc/46/50/25/399465025.db2.gz FJOJKIAVLPIMFQ-OAHLLOKOSA-N 1 3 321.465 2.793 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCCN(Cc2ccccc2)CC1 ZINC000269138194 207267219 /nfs/dbraw/zinc/26/72/19/207267219.db2.gz XKFFKVKODPENBM-IBGZPJMESA-N 1 3 301.478 2.679 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCCN(Cc2ccccc2)CC1 ZINC000269138194 207267222 /nfs/dbraw/zinc/26/72/22/207267222.db2.gz XKFFKVKODPENBM-IBGZPJMESA-N 1 3 301.478 2.679 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)NC[C@H](N)c1ccccc1 ZINC000269176072 207296489 /nfs/dbraw/zinc/29/64/89/207296489.db2.gz MOTIDLPORJEPPG-KRWDZBQOSA-N 1 3 305.466 2.705 20 0 DFADHO C[C@@H](NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422734372 296323571 /nfs/dbraw/zinc/32/35/71/296323571.db2.gz CQNYNUHPGGPHCA-NZSAHSFTSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422738366 296324132 /nfs/dbraw/zinc/32/41/32/296324132.db2.gz JOUZQFDAHHQXDH-FPAYPSAMSA-N 1 3 301.478 2.800 20 0 DFADHO CC(C)[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000269223770 207342752 /nfs/dbraw/zinc/34/27/52/207342752.db2.gz CAINUYZNYVHDNX-RHSMWYFYSA-N 1 3 303.450 2.983 20 0 DFADHO CC(C)[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000269223770 207342755 /nfs/dbraw/zinc/34/27/55/207342755.db2.gz CAINUYZNYVHDNX-RHSMWYFYSA-N 1 3 303.450 2.983 20 0 DFADHO CC1CCN([C@H](CN[C@@H]2CCC[C@H]2[NH3+])c2cccs2)CC1 ZINC000422743371 296324795 /nfs/dbraw/zinc/32/47/95/296324795.db2.gz IJOFUHQWEGIMJH-BZUAXINKSA-N 1 3 307.507 2.991 20 0 DFADHO CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@H]2N)c2cccs2)CC1 ZINC000422743371 296324796 /nfs/dbraw/zinc/32/47/96/296324796.db2.gz IJOFUHQWEGIMJH-BZUAXINKSA-N 1 3 307.507 2.991 20 0 DFADHO CC[C@H](N[C@@H]1CCN([C@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422745662 296325295 /nfs/dbraw/zinc/32/52/95/296325295.db2.gz VKMFMCAWJTWHQW-YSHGAJCASA-N 1 3 301.478 2.942 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000422753588 296326811 /nfs/dbraw/zinc/32/68/11/296326811.db2.gz IRSUIOXNDIKSJZ-DBVUQKKJSA-N 1 3 311.473 2.837 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](c1ccccc1)N(C)C ZINC000422753588 296326812 /nfs/dbraw/zinc/32/68/12/296326812.db2.gz IRSUIOXNDIKSJZ-DBVUQKKJSA-N 1 3 311.473 2.837 20 0 DFADHO COc1cccc([C@H](CN[C@H]2CCC[C@@H]2C[NH3+])N2CCCC2)c1 ZINC000422751077 296326557 /nfs/dbraw/zinc/32/65/57/296326557.db2.gz CCHKZRXMGJJIRR-NEWSRXKRSA-N 1 3 317.477 2.549 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cccc(C(F)(F)F)c1 ZINC000422751766 296326571 /nfs/dbraw/zinc/32/65/71/296326571.db2.gz CWRLEDOUXGMOSO-GDLCADMTSA-N 1 3 302.340 2.547 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000422756842 296327800 /nfs/dbraw/zinc/32/78/00/296327800.db2.gz CMGAEQGCBIRUQN-LSDHHAIUSA-N 1 3 304.482 2.764 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000422756842 296327802 /nfs/dbraw/zinc/32/78/02/296327802.db2.gz CMGAEQGCBIRUQN-LSDHHAIUSA-N 1 3 304.482 2.764 20 0 DFADHO Cc1ccc(SCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422757428 296327818 /nfs/dbraw/zinc/32/78/18/296327818.db2.gz CXPMJBCNPHFYOP-OKZBNKHCSA-N 1 3 320.502 2.834 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422756676 296327870 /nfs/dbraw/zinc/32/78/70/296327870.db2.gz HVQAUGSHTDECFX-KZNAEPCWSA-N 1 3 320.452 2.850 20 0 DFADHO Cc1cccc(N2CCC([NH2+][C@H]3CCCCC[C@H]3N)CC2)n1 ZINC000422765715 296329676 /nfs/dbraw/zinc/32/96/76/296329676.db2.gz RCGGGWAVXRJVHQ-SJORKVTESA-N 1 3 302.466 2.608 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCN1c2ccccc2C[C@@H]1C ZINC000422764406 296329150 /nfs/dbraw/zinc/32/91/50/296329150.db2.gz OLWQHUQUPIJSLF-GJZGRUSLSA-N 1 3 324.472 2.951 20 0 DFADHO c1ccc(SCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422768543 296329898 /nfs/dbraw/zinc/32/98/98/296329898.db2.gz NZZVFJUCHAWJAP-BRWVUGGUSA-N 1 3 306.475 2.525 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422770810 296330310 /nfs/dbraw/zinc/33/03/10/296330310.db2.gz XHUHAEGOKBSHHL-LESCRADOSA-N 1 3 305.441 2.902 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422770810 296330311 /nfs/dbraw/zinc/33/03/11/296330311.db2.gz XHUHAEGOKBSHHL-LESCRADOSA-N 1 3 305.441 2.902 20 0 DFADHO Cc1ccc(CSCCN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422774096 296330990 /nfs/dbraw/zinc/33/09/90/296330990.db2.gz VMOLRXDPJNQFJM-BHYGNILZSA-N 1 3 308.491 2.570 20 0 DFADHO C[C@H](CCCC[NH3+])N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422777612 296331409 /nfs/dbraw/zinc/33/14/09/296331409.db2.gz FVIHQVVUGQKUNF-UKRRQHHQSA-N 1 3 323.868 2.943 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422778203 296331531 /nfs/dbraw/zinc/33/15/31/296331531.db2.gz ALHYJSJXGOJKHG-LTIDMASMSA-N 1 3 318.461 2.973 20 0 DFADHO Cc1nc2ccccc2n1CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422782650 296331976 /nfs/dbraw/zinc/33/19/76/296331976.db2.gz JWMPTAYWXVIJNA-HNAYVOBHSA-N 1 3 322.456 2.893 20 0 DFADHO C[C@@H](CCC[NH3+])N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422783604 296332171 /nfs/dbraw/zinc/33/21/71/296332171.db2.gz OMGGGBIAKYAYLS-GXTWGEPZSA-N 1 3 309.841 2.552 20 0 DFADHO CCCN1CCC([NH2+][C@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000422784257 296332305 /nfs/dbraw/zinc/33/23/05/296332305.db2.gz NVNOVFSUUGCGEB-OALUTQOASA-N 1 3 301.478 2.944 20 0 DFADHO CC[C@@H](NCC1(N(C)C)Cc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422786370 296332570 /nfs/dbraw/zinc/33/25/70/296332570.db2.gz QHDPXVYCJGZAOY-RTBURBONSA-N 1 3 315.505 2.596 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCNc1ncc(Cl)cc1Cl ZINC000422789593 296333329 /nfs/dbraw/zinc/33/33/29/296333329.db2.gz UKCVWBVERNZZCE-GWCFXTLKSA-N 1 3 317.264 2.907 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422789593 296333330 /nfs/dbraw/zinc/33/33/30/296333330.db2.gz UKCVWBVERNZZCE-GWCFXTLKSA-N 1 3 317.264 2.907 20 0 DFADHO N[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422794212 296333989 /nfs/dbraw/zinc/33/39/89/296333989.db2.gz YLHLCEMWNWWYOH-SJORKVTESA-N 1 3 307.869 2.774 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422794212 296333990 /nfs/dbraw/zinc/33/39/90/296333990.db2.gz YLHLCEMWNWWYOH-SJORKVTESA-N 1 3 307.869 2.774 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])cc1 ZINC000422797533 296334826 /nfs/dbraw/zinc/33/48/26/296334826.db2.gz NDQHYZKXPWTIMG-KBRIMQKVSA-N 1 3 305.466 2.545 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCc1nc(C(F)(F)F)cs1 ZINC000422801918 296335431 /nfs/dbraw/zinc/33/54/31/296335431.db2.gz COSYQMMXOFYKDR-VHSXEESVSA-N 1 3 307.385 2.812 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422801918 296335432 /nfs/dbraw/zinc/33/54/32/296335432.db2.gz COSYQMMXOFYKDR-VHSXEESVSA-N 1 3 307.385 2.812 20 0 DFADHO CC[C@@H](NCCCN1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422804610 296336469 /nfs/dbraw/zinc/33/64/69/296336469.db2.gz HTHJFFILEWENJB-MOPGFXCFSA-N 1 3 301.478 2.555 20 0 DFADHO CC[C@H](CN[C@@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422805821 296336175 /nfs/dbraw/zinc/33/61/75/296336175.db2.gz JQUSAWRZWHSDMF-RTBURBONSA-N 1 3 301.478 2.555 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000422809388 296337023 /nfs/dbraw/zinc/33/70/23/296337023.db2.gz MFHOCZSVCRXOAZ-JCGIZDLHSA-N 1 3 313.449 2.880 20 0 DFADHO CC(C)(CN[C@@H]1CCCCC[C@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000422819822 296339204 /nfs/dbraw/zinc/33/92/04/296339204.db2.gz IYTPTQNYVMTXKK-HZPDHXFCSA-N 1 3 318.461 2.985 20 0 DFADHO CN(C)[C@]1(C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)CCSC1 ZINC000422817834 296338697 /nfs/dbraw/zinc/33/86/97/296338697.db2.gz DXDIPCFKYYKWSU-SQNIBIBYSA-N 1 3 319.518 2.507 20 0 DFADHO c1cn(Cc2cccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)cn1 ZINC000422824729 296339806 /nfs/dbraw/zinc/33/98/06/296339806.db2.gz HYVSVFVWKMAPHU-HSALFYBXSA-N 1 3 324.472 2.942 20 0 DFADHO CC(C)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000422830960 296341074 /nfs/dbraw/zinc/34/10/74/296341074.db2.gz JDBUACWKZDWAHX-CADBVGFASA-N 1 3 317.477 2.568 20 0 DFADHO CC[NH2+]CC1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000347012287 285001944 /nfs/dbraw/zinc/00/19/44/285001944.db2.gz HEOUHZLNJUHUCU-UHFFFAOYSA-N 1 3 304.463 2.960 20 0 DFADHO C[C@@H](CCCC[NH3+])NCc1nccn1CCc1ccccc1 ZINC000422828689 296340340 /nfs/dbraw/zinc/34/03/40/296340340.db2.gz GHZZQFUUVCJZQU-INIZCTEOSA-N 1 3 300.450 2.733 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000422828282 296340427 /nfs/dbraw/zinc/34/04/27/296340427.db2.gz FUHNBMQRNSDHFE-QYZOEREBSA-N 1 3 303.494 2.657 20 0 DFADHO C[C@H](CCCC[NH3+])NCc1nccn1CCc1ccccc1 ZINC000422828690 296340444 /nfs/dbraw/zinc/34/04/44/296340444.db2.gz GHZZQFUUVCJZQU-MRXNPFEDSA-N 1 3 300.450 2.733 20 0 DFADHO c1csc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422839588 296342330 /nfs/dbraw/zinc/34/23/30/296342330.db2.gz QTQKGDKNZSGTHX-WMLDXEAASA-N 1 3 315.442 2.531 20 0 DFADHO c1csc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422839586 296342467 /nfs/dbraw/zinc/34/24/67/296342467.db2.gz QTQKGDKNZSGTHX-PBHICJAKSA-N 1 3 315.442 2.531 20 0 DFADHO CCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1(CC)CC ZINC000422837786 296342200 /nfs/dbraw/zinc/34/22/00/296342200.db2.gz MUAUERGWBZCUCO-IECFSIQFSA-N 1 3 324.509 2.717 20 0 DFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)CC1CCN(C)CC1 ZINC000347018936 285006368 /nfs/dbraw/zinc/00/63/68/285006368.db2.gz ITNHJEUHAKKWPY-UHFFFAOYSA-N 1 3 311.514 2.545 20 0 DFADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422843092 296343089 /nfs/dbraw/zinc/34/30/89/296343089.db2.gz GYWHTQXBAALMAZ-SJLPKXTDSA-N 1 3 302.462 2.842 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC(=O)NCc1ccccc1 ZINC000422848470 296344283 /nfs/dbraw/zinc/34/42/83/296344283.db2.gz TYALUZWGDDTHGU-AEFFLSMTSA-N 1 3 317.477 2.593 20 0 DFADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000422845262 296343800 /nfs/dbraw/zinc/34/38/00/296343800.db2.gz BINCSMNCIKANCY-IXDOHACOSA-N 1 3 317.477 2.629 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422852224 296345052 /nfs/dbraw/zinc/34/50/52/296345052.db2.gz XRXBBPOAQBTKIR-SJLPKXTDSA-N 1 3 302.462 2.713 20 0 DFADHO Cc1cc(C)n(-c2ccc(CCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)n1 ZINC000422862319 296346463 /nfs/dbraw/zinc/34/64/63/296346463.db2.gz NMUMWHPMJCDLBM-DFNIBXOVSA-N 1 3 324.472 2.904 20 0 DFADHO CC(=O)Nc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)c1 ZINC000422866316 296347011 /nfs/dbraw/zinc/34/70/11/296347011.db2.gz QEGWQYJFSFOUKI-AUUYWEPGSA-N 1 3 311.429 2.693 20 0 DFADHO COC[C@@H](CCC[NH3+])NCc1ccc(F)cc1CSC ZINC000422860069 296346037 /nfs/dbraw/zinc/34/60/37/296346037.db2.gz HWAOVWVVEQGNBH-OAHLLOKOSA-N 1 3 300.443 2.532 20 0 DFADHO CC1CCN(CC[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000422868962 296347449 /nfs/dbraw/zinc/34/74/49/296347449.db2.gz WJTGOGLVVZDRMO-OALUTQOASA-N 1 3 301.478 2.801 20 0 DFADHO CCOCCOCc1cccc(C[NH2+][C@H]2CCCCC[C@H]2N)c1 ZINC000422867544 296347527 /nfs/dbraw/zinc/34/75/27/296347527.db2.gz SHDROFAMKOFHPI-MOPGFXCFSA-N 1 3 320.477 2.989 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422873666 296348385 /nfs/dbraw/zinc/34/83/85/296348385.db2.gz AYVJZERBFSYILO-YNEHKIRRSA-N 1 3 304.438 2.747 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422874538 296348430 /nfs/dbraw/zinc/34/84/30/296348430.db2.gz AIBAONOFTUJNFB-QXSJWSMHSA-N 1 3 318.509 2.866 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422874538 296348431 /nfs/dbraw/zinc/34/84/31/296348431.db2.gz AIBAONOFTUJNFB-QXSJWSMHSA-N 1 3 318.509 2.866 20 0 DFADHO C[C@@H](NCC(C)(C)c1cccc(Br)c1)C1C[NH2+]C1 ZINC000422877724 296348998 /nfs/dbraw/zinc/34/89/98/296348998.db2.gz IRQZTHPNZQDBJU-LLVKDONJSA-N 1 3 311.267 2.924 20 0 DFADHO C[C@@H]([NH2+]CC(C)(C)c1cccc(Br)c1)C1CNC1 ZINC000422877724 296349000 /nfs/dbraw/zinc/34/90/00/296349000.db2.gz IRQZTHPNZQDBJU-LLVKDONJSA-N 1 3 311.267 2.924 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000347392387 285028609 /nfs/dbraw/zinc/02/86/09/285028609.db2.gz LCDJNMKAGBCWCY-LMMKCTJWSA-N 1 3 324.509 2.767 20 0 DFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H](N)CC2CCCCC2)cc1 ZINC000422883993 296350224 /nfs/dbraw/zinc/35/02/24/296350224.db2.gz DKEHKSKLSZNVNN-CXAGYDPISA-N 1 3 303.450 2.620 20 0 DFADHO COc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000422886065 296350472 /nfs/dbraw/zinc/35/04/72/296350472.db2.gz ZZKVJXKPEXNGHN-NXEZZACHSA-N 1 3 301.228 2.673 20 0 DFADHO CCOc1ccc(C2(CN[C@@H]3CCC[C@@H]3[NH3+])CCOCC2)cc1 ZINC000422885965 296350623 /nfs/dbraw/zinc/35/06/23/296350623.db2.gz ZTHOIDQMHBJWJP-ZWKOTPCHSA-N 1 3 318.461 2.603 20 0 DFADHO C(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1nc2c(s1)CCCC2 ZINC000422900264 296352776 /nfs/dbraw/zinc/35/27/76/296352776.db2.gz AGOBMOKJUKLAKD-PBWFPOADSA-N 1 3 305.491 2.827 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422900045 296352809 /nfs/dbraw/zinc/35/28/09/296352809.db2.gz PTNOLNUMCFVIHK-RVKKMQEKSA-N 1 3 305.441 2.630 20 0 DFADHO Cc1ccccc1CN1CCC([NH2+][C@@H]2CNCC[C@@H]2C)CC1 ZINC000422899994 296352857 /nfs/dbraw/zinc/35/28/57/296352857.db2.gz PQQAASGJXGEGLU-QFBILLFUSA-N 1 3 301.478 2.547 20 0 DFADHO COc1ccc(OCCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422894746 296351893 /nfs/dbraw/zinc/35/18/93/296351893.db2.gz DCWJBMGMLUENIB-OTWHNJEPSA-N 1 3 318.461 2.974 20 0 DFADHO Cc1nc(CCN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])sc1C ZINC000422895060 296352222 /nfs/dbraw/zinc/35/22/22/296352222.db2.gz VDJXQVNOLCLLBT-WBMJQRKESA-N 1 3 303.475 2.851 20 0 DFADHO Cc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422898595 296352532 /nfs/dbraw/zinc/35/25/32/296352532.db2.gz FPXGGJDOGXKWIA-QXAKKESOSA-N 1 3 314.473 2.773 20 0 DFADHO FC(F)(F)CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422917444 296355430 /nfs/dbraw/zinc/35/54/30/296355430.db2.gz DWVAUHTYWMOYPF-TZMCWYRMSA-N 1 3 300.324 2.784 20 0 DFADHO Cc1ccoc1C(=O)NCCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422922333 296356146 /nfs/dbraw/zinc/35/61/46/296356146.db2.gz PZKLCHGMLDTOKP-HZPDHXFCSA-N 1 3 321.465 2.608 20 0 DFADHO Cc1cccc(NCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422919868 296355716 /nfs/dbraw/zinc/35/57/16/296355716.db2.gz LCCFPTQCBFAKEH-IXDOHACOSA-N 1 3 302.466 2.702 20 0 DFADHO Cc1cccc(NCCN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000422924107 296355909 /nfs/dbraw/zinc/35/59/09/296355909.db2.gz XQPYIRXIVWSOHT-ROUUACIJSA-N 1 3 310.445 2.885 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422929134 296356304 /nfs/dbraw/zinc/35/63/04/296356304.db2.gz OIXDXBFPLLCSLL-OLZOCXBDSA-N 1 3 302.340 2.845 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1ccccc1OC(F)(F)F ZINC000422929134 296356305 /nfs/dbraw/zinc/35/63/05/296356305.db2.gz OIXDXBFPLLCSLL-OLZOCXBDSA-N 1 3 302.340 2.845 20 0 DFADHO CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1N)N1CCc2ccccc2C1 ZINC000422937659 296358040 /nfs/dbraw/zinc/35/80/40/296358040.db2.gz JQDSGKOALUKEBI-FHWLQOOXSA-N 1 3 301.478 2.539 20 0 DFADHO CC(C)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC000422937659 296358041 /nfs/dbraw/zinc/35/80/41/296358041.db2.gz JQDSGKOALUKEBI-FHWLQOOXSA-N 1 3 301.478 2.539 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCc1nc(C(C)C)no1 ZINC000422941890 296358743 /nfs/dbraw/zinc/35/87/43/296358743.db2.gz VYEVJHJQXZQQLN-LBPRGKRZSA-N 1 3 317.437 2.639 20 0 DFADHO CC(C)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422947735 296359318 /nfs/dbraw/zinc/35/93/18/296359318.db2.gz YSJOBVSAFFPOLF-DBVUQKKJSA-N 1 3 315.505 2.799 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000422957536 296361021 /nfs/dbraw/zinc/36/10/21/296361021.db2.gz UQULEBHRBYICJS-NVXWUHKLSA-N 1 3 305.491 2.775 20 0 DFADHO C[C@@H](Nc1cccc(CN2CCSCC2)c1)[C@H]1CCC[NH2+]1 ZINC000422958939 296361081 /nfs/dbraw/zinc/36/10/81/296361081.db2.gz ZPUSFXFEAQQBIB-RHSMWYFYSA-N 1 3 305.491 2.788 20 0 DFADHO Fc1ccc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000422951985 296360128 /nfs/dbraw/zinc/36/01/28/296360128.db2.gz BDZDBENILMQXAA-KBRIMQKVSA-N 1 3 310.388 2.854 20 0 DFADHO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@H]1CCCCN1 ZINC000422952892 296360311 /nfs/dbraw/zinc/36/03/11/296360311.db2.gz CNYPHQKGJCTLGH-HZPDHXFCSA-N 1 3 323.868 2.580 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCCNc1cccc(Br)c1 ZINC000422966688 296362288 /nfs/dbraw/zinc/36/22/88/296362288.db2.gz RSLYDQMYHOBHAQ-MNOVXSKESA-N 1 3 300.244 2.576 20 0 DFADHO CC(C)Oc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)cn1 ZINC000422972780 296363358 /nfs/dbraw/zinc/36/33/58/296363358.db2.gz MTJUFYQLSOJJGX-QAPCUYQASA-N 1 3 313.445 2.917 20 0 DFADHO CC(C)Oc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)cn1 ZINC000422972779 296363429 /nfs/dbraw/zinc/36/34/29/296363429.db2.gz MTJUFYQLSOJJGX-MAUKXSAKSA-N 1 3 313.445 2.917 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000422989398 296364469 /nfs/dbraw/zinc/36/44/69/296364469.db2.gz LKJCMEXLEZSQJQ-YPMHNXCESA-N 1 3 317.355 2.586 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423001198 296366058 /nfs/dbraw/zinc/36/60/58/296366058.db2.gz DESLLJOUOVVVQO-ZSYWTGECSA-N 1 3 302.462 2.663 20 0 DFADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005114 296366271 /nfs/dbraw/zinc/36/62/71/296366271.db2.gz QTUDHVUEWWFZDY-KBPBESRZSA-N 1 3 302.340 2.735 20 0 DFADHO C[C@H](NCC(C)(C)c1ccccc1Br)C1C[NH2+]C1 ZINC000422998523 296365546 /nfs/dbraw/zinc/36/55/46/296365546.db2.gz QMHRPUNNVLWQLC-NSHDSACASA-N 1 3 311.267 2.924 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)c1ccccc1Br)C1CNC1 ZINC000422998523 296365548 /nfs/dbraw/zinc/36/55/48/296365548.db2.gz QMHRPUNNVLWQLC-NSHDSACASA-N 1 3 311.267 2.924 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc(COCC(F)(F)F)c1 ZINC000423005341 296366324 /nfs/dbraw/zinc/36/63/24/296366324.db2.gz RNPPSIHZAQMVCH-CABCVRRESA-N 1 3 316.367 2.983 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc(COCC(F)(F)F)c1 ZINC000423004404 296366363 /nfs/dbraw/zinc/36/63/63/296366363.db2.gz OXEDTOYVGZYURW-RYUDHWBXSA-N 1 3 304.356 2.981 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCCN(c2ccccc2F)C1 ZINC000423008590 296366902 /nfs/dbraw/zinc/36/69/02/296366902.db2.gz AMMRMXDSJZUZBD-HLLBOEOZSA-N 1 3 305.441 2.772 20 0 DFADHO CC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCO1 ZINC000423011236 296367368 /nfs/dbraw/zinc/36/73/68/296367368.db2.gz IIFWWSPWJAHWPZ-OGWHTMIXSA-N 1 3 316.445 2.790 20 0 DFADHO COc1cc(F)cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)c1 ZINC000423011272 296367443 /nfs/dbraw/zinc/36/74/43/296367443.db2.gz ATIYYETVYPFOEM-UGSOOPFHSA-N 1 3 302.393 2.882 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCNCC[C@@H]2C)cc1OC ZINC000423026632 296369427 /nfs/dbraw/zinc/36/94/27/296369427.db2.gz QKGFMHJBBBSMBT-YQQAZPJKSA-N 1 3 320.477 2.860 20 0 DFADHO Cc1nn(C)c(C)c1CCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423018896 296368541 /nfs/dbraw/zinc/36/85/41/296368541.db2.gz SIGKPCJXSMMKMQ-RHSMWYFYSA-N 1 3 306.498 2.870 20 0 DFADHO C[C@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)C1CNC1 ZINC000423036749 296370379 /nfs/dbraw/zinc/37/03/79/296370379.db2.gz USEWSAWQGWANKR-JTQLQIEISA-N 1 3 322.250 2.670 20 0 DFADHO C[C@H](NCCc1c[nH]c2ccc(Br)cc12)C1C[NH2+]C1 ZINC000423036749 296370380 /nfs/dbraw/zinc/37/03/80/296370380.db2.gz USEWSAWQGWANKR-JTQLQIEISA-N 1 3 322.250 2.670 20 0 DFADHO Fc1ccc(N2CC[C@@H](N[C@@H]3CCC[NH2+]CC3)C2)cc1Cl ZINC000423037849 296370528 /nfs/dbraw/zinc/37/05/28/296370528.db2.gz CGMPXKUZEAXDAS-CHWSQXEVSA-N 1 3 311.832 2.790 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1c[nH]c2ccc(Br)cc12 ZINC000423037680 296370621 /nfs/dbraw/zinc/37/06/21/296370621.db2.gz WOPSFTKTASGQFV-HIFRSBDPSA-N 1 3 322.250 2.942 20 0 DFADHO COc1cccc([C@@H]2[C@H](N[C@@H](C)C[C@H](C)[NH3+])CCN2C2CC2)c1 ZINC000423041748 296370978 /nfs/dbraw/zinc/37/09/78/296370978.db2.gz JQCLQIJPMMINDS-YXUGBTPSSA-N 1 3 317.477 2.688 20 0 DFADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCCO1 ZINC000423044951 296371397 /nfs/dbraw/zinc/37/13/97/296371397.db2.gz RMRSFCLJHNSBML-KNIMUDFMSA-N 1 3 316.445 2.790 20 0 DFADHO Cc1cc(C(F)(F)F)ccc1CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423062109 296373474 /nfs/dbraw/zinc/37/34/74/296373474.db2.gz SKYRPFNUUMADKY-NILFDRSVSA-N 1 3 316.367 2.856 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000423064765 296374237 /nfs/dbraw/zinc/37/42/37/296374237.db2.gz ZRVHTCSXYHDUIQ-KSSFIOAISA-N 1 3 321.896 2.676 20 0 DFADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000423064872 296374266 /nfs/dbraw/zinc/37/42/66/296374266.db2.gz SHMVDDHGECCJTF-NZSAHSFTSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000423064872 296374269 /nfs/dbraw/zinc/37/42/69/296374269.db2.gz SHMVDDHGECCJTF-NZSAHSFTSA-N 1 3 301.478 2.629 20 0 DFADHO [NH3+][C@H]1CCCCC[C@@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000423063361 296373818 /nfs/dbraw/zinc/37/38/18/296373818.db2.gz WEAYDILMYPVYQL-ROUUACIJSA-N 1 3 321.896 2.948 20 0 DFADHO CC[C@H](C)N(CC)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000616976477 399551913 /nfs/dbraw/zinc/55/19/13/399551913.db2.gz QXNKYKJOEAGCGG-INIZCTEOSA-N 1 3 323.525 2.830 20 0 DFADHO CCOC[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000423074493 296375274 /nfs/dbraw/zinc/37/52/74/296375274.db2.gz UVGOMFUMWIAKDE-JENIJYKNSA-N 1 3 318.461 2.893 20 0 DFADHO CC[C@H]([NH2+]CCN(CC)CCC(F)(F)F)[C@@H]1CCCCN1 ZINC000423070200 296374929 /nfs/dbraw/zinc/37/49/29/296374929.db2.gz FSNROUOBVVNJIX-KBPBESRZSA-N 1 3 309.420 2.771 20 0 DFADHO C[C@H](O)[C@](C)(C[NH2+][C@H]1CCCC[C@H]1CN)Cc1ccccc1 ZINC000423078502 296376090 /nfs/dbraw/zinc/37/60/90/296376090.db2.gz OQTOTMFXLZTEHP-WNHJNPCNSA-N 1 3 304.478 2.723 20 0 DFADHO COCCC[C@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423087192 296376725 /nfs/dbraw/zinc/37/67/25/296376725.db2.gz OZAUHTLSYBKSJM-KAKFPZCNSA-N 1 3 302.462 2.897 20 0 DFADHO CSC1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423088901 296377009 /nfs/dbraw/zinc/37/70/09/296377009.db2.gz RFIFBKYUUZGZIG-GOEBONIOSA-N 1 3 304.459 2.728 20 0 DFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423084473 296376337 /nfs/dbraw/zinc/37/63/37/296376337.db2.gz IASBXGHJDLNTOA-BARLLCKDSA-N 1 3 302.462 2.520 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCC1(CO)CC(c2ccccc2)C1 ZINC000423084473 296376338 /nfs/dbraw/zinc/37/63/38/296376338.db2.gz IASBXGHJDLNTOA-BARLLCKDSA-N 1 3 302.462 2.520 20 0 DFADHO Fc1ccccc1CCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423097345 296378004 /nfs/dbraw/zinc/37/80/04/296378004.db2.gz QTIQLSIUTCEIHF-CGTJXYLNSA-N 1 3 306.425 2.505 20 0 DFADHO CC[C@@H](N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423092614 296377553 /nfs/dbraw/zinc/37/75/53/296377553.db2.gz CQWALDHRQRRNIK-XDNAFOTISA-N 1 3 321.509 2.678 20 0 DFADHO CCOc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1Cl ZINC000423098712 296378182 /nfs/dbraw/zinc/37/81/82/296378182.db2.gz DJUNPXLPMVAQPA-OSAQELSMSA-N 1 3 312.841 2.581 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423104616 296378634 /nfs/dbraw/zinc/37/86/34/296378634.db2.gz YGHIFXGHUUQSSO-LKPRIIMKSA-N 1 3 308.853 2.928 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423104616 296378635 /nfs/dbraw/zinc/37/86/35/296378635.db2.gz YGHIFXGHUUQSSO-LKPRIIMKSA-N 1 3 308.853 2.928 20 0 DFADHO Cc1ccccc1[C@H]1C[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423106349 296378902 /nfs/dbraw/zinc/37/89/02/296378902.db2.gz RKCMMFDBWDNLKX-CZKCSJLSSA-N 1 3 314.473 2.988 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000624123039 399560479 /nfs/dbraw/zinc/56/04/79/399560479.db2.gz DOCXWJDIUDHIQA-JKSUJKDBSA-N 1 3 317.477 2.771 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000616997971 399560557 /nfs/dbraw/zinc/56/05/57/399560557.db2.gz DPYXZCMDXBSCLJ-DOTOQJQBSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000616997971 399560560 /nfs/dbraw/zinc/56/05/60/399560560.db2.gz DPYXZCMDXBSCLJ-DOTOQJQBSA-N 1 3 321.509 2.630 20 0 DFADHO Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2N[C@@H]2CCC[NH2+]CC2)c1 ZINC000423111644 296379577 /nfs/dbraw/zinc/37/95/77/296379577.db2.gz QXJIYDAELHQBLX-HYVNUMGLSA-N 1 3 310.388 2.996 20 0 DFADHO Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2N[C@H]2CCC[NH2+]CC2)c1 ZINC000423111643 296379728 /nfs/dbraw/zinc/37/97/28/296379728.db2.gz QXJIYDAELHQBLX-BHYGNILZSA-N 1 3 310.388 2.996 20 0 DFADHO COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)C2 ZINC000624122956 399561405 /nfs/dbraw/zinc/56/14/05/399561405.db2.gz BPPVXAIQJRWRLW-WBVHZDCISA-N 1 3 302.462 2.874 20 0 DFADHO CCCN1CCC[C@H]1C[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000423112936 296380000 /nfs/dbraw/zinc/38/00/00/296380000.db2.gz SVQCTXDVZOTIMN-QYZOEREBSA-N 1 3 301.478 2.944 20 0 DFADHO CC(C)Oc1ccc([C@@H](CN[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000423121515 296381221 /nfs/dbraw/zinc/38/12/21/296381221.db2.gz IPNLHDZSFLOSDZ-PKOBYXMFSA-N 1 3 319.493 2.808 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000423130831 296382189 /nfs/dbraw/zinc/38/21/89/296382189.db2.gz SFNIUBSAVPSKKH-QRQLOZEOSA-N 1 3 319.493 2.794 20 0 DFADHO c1ccc2c(c1)CC1(CCOCC1)[C@@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000423131140 296382295 /nfs/dbraw/zinc/38/22/95/296382295.db2.gz ZHDRYOGVASRLIP-SJLPKXTDSA-N 1 3 300.446 2.812 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423126739 296381600 /nfs/dbraw/zinc/38/16/00/296381600.db2.gz ORHURUGWZCQTPC-OXXUSNJHSA-N 1 3 322.880 2.926 20 0 DFADHO OC[C@]1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423129379 296381852 /nfs/dbraw/zinc/38/18/52/296381852.db2.gz WYYAUDIHTVZFLX-USYVTKNRSA-N 1 3 314.473 2.663 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000423129517 296381898 /nfs/dbraw/zinc/38/18/98/296381898.db2.gz XEHSUENVCIMHKT-NASSWSRMSA-N 1 3 324.468 2.701 20 0 DFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423133375 296382612 /nfs/dbraw/zinc/38/26/12/296382612.db2.gz KDQJAOZTPHVPNO-ZBFHGGJFSA-N 1 3 320.506 2.771 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1cnc(SC2CCCC2)nc1 ZINC000423133375 296382614 /nfs/dbraw/zinc/38/26/14/296382614.db2.gz KDQJAOZTPHVPNO-ZBFHGGJFSA-N 1 3 320.506 2.771 20 0 DFADHO C[C@H](NCCc1cnc(SC2CCCC2)nc1)[C@@H]1CC[NH2+]C1 ZINC000423134528 296382635 /nfs/dbraw/zinc/38/26/35/296382635.db2.gz MKMHCVRSCKXCGY-DZGCQCFKSA-N 1 3 320.506 2.641 20 0 DFADHO COc1ccc(CC[NH2+][C@H]2CCC[C@H]2CN)c(Cl)c1OC ZINC000423133586 296382660 /nfs/dbraw/zinc/38/26/60/296382660.db2.gz KZKOPUKTUNUZSU-STQMWFEESA-N 1 3 312.841 2.617 20 0 DFADHO COc1ccc(CCN[C@H]2CCC[C@H]2C[NH3+])c(Cl)c1OC ZINC000423133586 296382662 /nfs/dbraw/zinc/38/26/62/296382662.db2.gz KZKOPUKTUNUZSU-STQMWFEESA-N 1 3 312.841 2.617 20 0 DFADHO COc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1OC ZINC000423137738 296383547 /nfs/dbraw/zinc/38/35/47/296383547.db2.gz RIRMXSUEFHHEAF-PBWFPOADSA-N 1 3 324.852 2.772 20 0 DFADHO CO[C@@H]([C@H](C)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423149425 296385452 /nfs/dbraw/zinc/38/54/52/296385452.db2.gz AOOFFUDFJRMNBK-KRDRHDLTSA-N 1 3 316.445 2.645 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000423156837 296386129 /nfs/dbraw/zinc/38/61/29/296386129.db2.gz LSTXGLIAZWLYTP-HXFGRODQSA-N 1 3 302.462 2.912 20 0 DFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)C1(O)CCCC1 ZINC000423168335 296387156 /nfs/dbraw/zinc/38/71/56/296387156.db2.gz UJWMTEXSBJXGJW-WBVHZDCISA-N 1 3 304.478 2.866 20 0 DFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000423161342 296386465 /nfs/dbraw/zinc/38/64/65/296386465.db2.gz JAVWVBMHLOBXOK-SWLSCSKDSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1cccc(Br)c1 ZINC000423161342 296386466 /nfs/dbraw/zinc/38/64/66/296386466.db2.gz JAVWVBMHLOBXOK-SWLSCSKDSA-N 1 3 311.267 2.969 20 0 DFADHO COc1cccc2c1C[C@H](N[C@H](Cc1ccccc1)[C@H](C)[NH3+])C2 ZINC000423173620 296388289 /nfs/dbraw/zinc/38/82/89/296388289.db2.gz ZLEMFVSTFRWYIW-POZUXBRTSA-N 1 3 310.441 2.711 20 0 DFADHO Cc1ccccc1[C@H](NCCCN1CC[NH2+]CC1)c1ccccc1 ZINC000423178455 296388473 /nfs/dbraw/zinc/38/84/73/296388473.db2.gz GDFFHZLMIHVCGG-OAQYLSRUSA-N 1 3 323.484 2.969 20 0 DFADHO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCN ZINC000423177483 296388568 /nfs/dbraw/zinc/38/85/68/296388568.db2.gz DZPFPHAKKFHTCX-UFBFGSQYSA-N 1 3 301.253 2.780 20 0 DFADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc2c(c1)COC2 ZINC000423181833 296389308 /nfs/dbraw/zinc/38/93/08/296389308.db2.gz DCNVCHGYDKGWAB-OAHLLOKOSA-N 1 3 311.429 2.942 20 0 DFADHO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CCCNCC1 ZINC000423191397 296390379 /nfs/dbraw/zinc/39/03/79/296390379.db2.gz STJFERNWGPXSFF-CZUORRHYSA-N 1 3 303.425 2.980 20 0 DFADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CCNCC2)c2ccccc21 ZINC000423191059 296390389 /nfs/dbraw/zinc/39/03/89/296390389.db2.gz UCUUPSGZWQZQDR-IRXDYDNUSA-N 1 3 302.418 2.510 20 0 DFADHO CC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H](O)C(C)C ZINC000423191949 296390425 /nfs/dbraw/zinc/39/04/25/296390425.db2.gz UFXSPQGGGSSSBT-OGWHTMIXSA-N 1 3 318.461 2.627 20 0 DFADHO COc1cccc2c1CC[C@H]2NCCC[NH2+]Cc1cccnc1 ZINC000423191552 296390483 /nfs/dbraw/zinc/39/04/83/296390483.db2.gz SWYZTADVGSPAAJ-GOSISDBHSA-N 1 3 311.429 2.847 20 0 DFADHO CO[C@H](c1ccccc1)[C@H](C)NCCC[NH2+]Cc1cccnc1 ZINC000423194473 296390893 /nfs/dbraw/zinc/39/08/93/296390893.db2.gz YTQBWABBFNWJSJ-LPHOPBHVSA-N 1 3 313.445 2.927 20 0 DFADHO CC(C)c1cccc2c1OCCC[C@@H]2NCCN1CC[NH2+]CC1 ZINC000423201508 296391853 /nfs/dbraw/zinc/39/18/53/296391853.db2.gz IPUBGCXIWOUMFD-SFHVURJKSA-N 1 3 317.477 2.519 20 0 DFADHO [NH3+]C1(CNC2CCN(Cc3ccccn3)CC2)CCCCCC1 ZINC000423205927 296392225 /nfs/dbraw/zinc/39/22/25/296392225.db2.gz WFNLECCFVMPDEN-UHFFFAOYSA-N 1 3 316.493 2.687 20 0 DFADHO NC1(C[NH2+]C2CCN(Cc3ccccn3)CC2)CCCCCC1 ZINC000423205927 296392226 /nfs/dbraw/zinc/39/22/26/296392226.db2.gz WFNLECCFVMPDEN-UHFFFAOYSA-N 1 3 316.493 2.687 20 0 DFADHO CC(C)c1ccc2c(c1)[C@@H](NCCN1CC[NH2+]CC1)CCCO2 ZINC000423206320 296392346 /nfs/dbraw/zinc/39/23/46/296392346.db2.gz QJUKXMCAURPADA-SFHVURJKSA-N 1 3 317.477 2.519 20 0 DFADHO Cc1nn(C)c2sc([C@H](C)N[C@H](C)[C@@H]3CCC[NH2+]C3)cc12 ZINC000423211435 296392727 /nfs/dbraw/zinc/39/27/27/296392727.db2.gz HJUFGJJMVFORAP-KGYLQXTDSA-N 1 3 306.479 2.982 20 0 DFADHO COc1ccc(C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1OC ZINC000423214090 296393047 /nfs/dbraw/zinc/39/30/47/296393047.db2.gz LVSPHXADQANYSP-AJSFGMTHSA-N 1 3 318.461 2.816 20 0 DFADHO CC1(C)[C@H]([NH2+]C[C@H]2CCCNC2)C[C@@H]1OCc1ccccc1 ZINC000423213192 296393077 /nfs/dbraw/zinc/39/30/77/296393077.db2.gz MXVBJYCEHMEGOT-KSZLIROESA-N 1 3 302.462 2.960 20 0 DFADHO CC1(C)[C@H](NC[C@H]2CCC[NH2+]C2)C[C@@H]1OCc1ccccc1 ZINC000423213192 296393079 /nfs/dbraw/zinc/39/30/79/296393079.db2.gz MXVBJYCEHMEGOT-KSZLIROESA-N 1 3 302.462 2.960 20 0 DFADHO COC[C@H](NCC[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423242668 296396165 /nfs/dbraw/zinc/39/61/65/296396165.db2.gz FNECHHLXOQAFFP-WFASDCNBSA-N 1 3 316.367 2.982 20 0 DFADHO Cc1c([C@H](C)NCC[C@@H]2CCC[NH2+]C2)nnn1-c1ccccc1 ZINC000423264768 296398601 /nfs/dbraw/zinc/39/86/01/296398601.db2.gz YYVGLWYKDNPTGV-HOCLYGCPSA-N 1 3 313.449 2.616 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(OCCN(C)C)c1 ZINC000156404256 197109971 /nfs/dbraw/zinc/10/99/71/197109971.db2.gz VKMUMGVWDVCUGZ-YJBOKZPZSA-N 1 3 306.450 2.847 20 0 DFADHO COc1ccc2c(c1)C[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)CO2 ZINC000423291781 296401776 /nfs/dbraw/zinc/40/17/76/296401776.db2.gz JVAAQYHKYYHQJS-DYVFJYSZSA-N 1 3 312.413 2.808 20 0 DFADHO N[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)C1CCC1 ZINC000423317055 296403559 /nfs/dbraw/zinc/40/35/59/296403559.db2.gz BHRMVHVLPHRIIR-KRWDZBQOSA-N 1 3 301.434 2.738 20 0 DFADHO Brc1ccc2c(c1)[C@H](NCC1=CC[NH2+]CC1)CC2 ZINC000423356351 296407671 /nfs/dbraw/zinc/40/76/71/296407671.db2.gz QLYKTJDXDCCHAK-OAHLLOKOSA-N 1 3 307.235 2.946 20 0 DFADHO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000624221892 399602530 /nfs/dbraw/zinc/60/25/30/399602530.db2.gz KLFVKCVWCWNNOA-UCLAIMLFSA-N 1 3 318.461 2.845 20 0 DFADHO COc1cccc(C[C@H]([NH2+]C[C@]2(C)CCCNC2)C2CC2)c1 ZINC000423347490 296407143 /nfs/dbraw/zinc/40/71/43/296407143.db2.gz RJWIJLFKGLERKV-RBUKOAKNSA-N 1 3 302.462 2.996 20 0 DFADHO COCC1(CN[C@H](C)c2csc(C(C)C)n2)CC[NH2+]CC1 ZINC000423413761 296414271 /nfs/dbraw/zinc/41/42/71/296414271.db2.gz ZXZKRIHCMXXHJK-CYBMUJFWSA-N 1 3 311.495 2.933 20 0 DFADHO OC1CC[NH+](CCCN[C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000271675535 285245210 /nfs/dbraw/zinc/24/52/10/285245210.db2.gz HLQHCOOPJGQRQS-GOSISDBHSA-N 1 3 306.425 2.640 20 0 DFADHO Cc1c([C@@H](C)N[C@@H](C)CCCC[NH3+])nnn1-c1ccccc1 ZINC000423425843 296415566 /nfs/dbraw/zinc/41/55/66/296415566.db2.gz HGWPUSNQJZWGJG-UONOGXRCSA-N 1 3 301.438 2.744 20 0 DFADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423440751 296416990 /nfs/dbraw/zinc/41/69/90/296416990.db2.gz VZSKEQDZHWDKGM-HDEZJCGLSA-N 1 3 308.853 2.536 20 0 DFADHO CO[C@H](Cc1ccccc1)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000296673772 533208961 /nfs/dbraw/zinc/20/89/61/533208961.db2.gz HGSLHYAVCSQGKB-MOPGFXCFSA-N 1 3 302.462 2.662 20 0 DFADHO CO[C@H](Cc1ccccc1)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000296673772 533208963 /nfs/dbraw/zinc/20/89/63/533208963.db2.gz HGSLHYAVCSQGKB-MOPGFXCFSA-N 1 3 302.462 2.662 20 0 DFADHO C[N@H+](CCCNC1CCN(CC(F)F)CC1)C1CCCCC1 ZINC000120767640 195234425 /nfs/dbraw/zinc/23/44/25/195234425.db2.gz GIEYTMISAHKLOL-UHFFFAOYSA-N 1 3 317.468 2.960 20 0 DFADHO C[N@@H+](CCCNC1CCN(CC(F)F)CC1)C1CCCCC1 ZINC000120767640 195234427 /nfs/dbraw/zinc/23/44/27/195234427.db2.gz GIEYTMISAHKLOL-UHFFFAOYSA-N 1 3 317.468 2.960 20 0 DFADHO OC[C@H]1CCC[N@@H+]1CCCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000269901163 285290775 /nfs/dbraw/zinc/29/07/75/285290775.db2.gz GRUYXIQDQXPAJM-CXAGYDPISA-N 1 3 324.415 2.779 20 0 DFADHO OC[C@H]1CCC[N@H+]1CCCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000269901163 285290781 /nfs/dbraw/zinc/29/07/81/285290781.db2.gz GRUYXIQDQXPAJM-CXAGYDPISA-N 1 3 324.415 2.779 20 0 DFADHO C[C@H](CN(C)CC[N@H+](C)C1CCN(C)CC1)c1ccc(F)cc1 ZINC000289560265 221068433 /nfs/dbraw/zinc/06/84/33/221068433.db2.gz YNSFCETWCOMCTK-MRXNPFEDSA-N 1 3 321.484 2.887 20 0 DFADHO C[C@H](CN(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccc(F)cc1 ZINC000289560265 221068438 /nfs/dbraw/zinc/06/84/38/221068438.db2.gz YNSFCETWCOMCTK-MRXNPFEDSA-N 1 3 321.484 2.887 20 0 DFADHO NC1(C[NH2+][C@@H](C[C@H]2CCCO2)c2ccc(F)cc2)CCOCC1 ZINC000629519889 399634030 /nfs/dbraw/zinc/63/40/30/399634030.db2.gz IMRUVGJGBRNCHH-SJORKVTESA-N 1 3 322.424 2.533 20 0 DFADHO FC(F)CN1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000629520852 399634234 /nfs/dbraw/zinc/63/42/34/399634234.db2.gz XXPUZAGFXYLPDY-QKPAOTATSA-N 1 3 315.452 2.616 20 0 DFADHO CCC[NH+]1CCC(NC[C@]2(CO)C[C@@H]2c2ccccc2)CC1 ZINC000289855574 221271827 /nfs/dbraw/zinc/27/18/27/221271827.db2.gz QSXMSJDXBFRCAI-MOPGFXCFSA-N 1 3 302.462 2.617 20 0 DFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000289957014 221341481 /nfs/dbraw/zinc/34/14/81/221341481.db2.gz MPEPGYLLOVHISA-JYJNAYRXSA-N 1 3 323.506 2.635 20 0 DFADHO Cc1nc(C(C)C)ccc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000629532670 399638041 /nfs/dbraw/zinc/63/80/41/399638041.db2.gz LOEACGVAQWHZBW-MJGOQNOKSA-N 1 3 317.477 2.842 20 0 DFADHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000289991332 221365692 /nfs/dbraw/zinc/36/56/92/221365692.db2.gz YIRSDKJIAOGKJA-QWRGUYRKSA-N 1 3 300.244 2.835 20 0 DFADHO Cc1cc([C@@H](C)NCCOCCC[NH3+])sc1Br ZINC000629537422 399640402 /nfs/dbraw/zinc/64/04/02/399640402.db2.gz JAHQPCNOYIDILA-SNVBAGLBSA-N 1 3 321.284 2.835 20 0 DFADHO [NH3+]CCCOCCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000629538695 399640561 /nfs/dbraw/zinc/64/05/61/399640561.db2.gz NIUVBXDHZJHHJO-GOSISDBHSA-N 1 3 302.393 2.870 20 0 DFADHO Cc1nc(-c2cccnc2)sc1[C@H](C)NCCOCCC[NH3+] ZINC000629541485 399641761 /nfs/dbraw/zinc/64/17/61/399641761.db2.gz PGQSYOHEYBIXPV-LBPRGKRZSA-N 1 3 320.462 2.530 20 0 DFADHO O[C@H](CN[C@H]1CC[C@@H](c2cccc(F)c2)C1)C[NH+]1CCCC1 ZINC000629578927 399653325 /nfs/dbraw/zinc/65/33/25/399653325.db2.gz NUELLEBABQKYQU-BPQIPLTHSA-N 1 3 306.425 2.508 20 0 DFADHO O[C@H](CN[C@H]1C[C@H](c2cccc(Cl)c2)C1)C[NH+]1CCCC1 ZINC000629576681 399653658 /nfs/dbraw/zinc/65/36/58/399653658.db2.gz BRWMQBAOQGAIQX-DJIMGWMZSA-N 1 3 308.853 2.632 20 0 DFADHO CC(C)c1ccc(CCCNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629564449 399651346 /nfs/dbraw/zinc/65/13/46/399651346.db2.gz KVOORTHIQGLTJT-IBGZPJMESA-N 1 3 304.478 2.789 20 0 DFADHO COC1(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000090650851 542538130 /nfs/dbraw/zinc/53/81/30/542538130.db2.gz DNVNYMCDDUCCIK-SJLPKXTDSA-N 1 3 324.509 2.815 20 0 DFADHO COC1(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000090650851 542538134 /nfs/dbraw/zinc/53/81/34/542538134.db2.gz DNVNYMCDDUCCIK-SJLPKXTDSA-N 1 3 324.509 2.815 20 0 DFADHO COC1(CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000090653298 542539297 /nfs/dbraw/zinc/53/92/97/542539297.db2.gz IEBIUKSVPKTYCC-FUHWJXTLSA-N 1 3 324.509 2.815 20 0 DFADHO COC1(C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000090653298 542539300 /nfs/dbraw/zinc/53/93/00/542539300.db2.gz IEBIUKSVPKTYCC-FUHWJXTLSA-N 1 3 324.509 2.815 20 0 DFADHO CC[C@H]1CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000617507167 399719802 /nfs/dbraw/zinc/71/98/02/399719802.db2.gz KZPRKQNJZGWZBQ-ULQDDVLXSA-N 1 3 311.514 2.591 20 0 DFADHO CC[C@H]1CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000617507167 399719806 /nfs/dbraw/zinc/71/98/06/399719806.db2.gz KZPRKQNJZGWZBQ-ULQDDVLXSA-N 1 3 311.514 2.591 20 0 DFADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000052209801 425884105 /nfs/dbraw/zinc/88/41/05/425884105.db2.gz XOGIRSUBPAJROO-UHFFFAOYSA-N 1 3 317.477 2.729 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000052209801 425884106 /nfs/dbraw/zinc/88/41/06/425884106.db2.gz XOGIRSUBPAJROO-UHFFFAOYSA-N 1 3 317.477 2.729 20 0 DFADHO C[C@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@@H](N)c1ccccc1 ZINC000423761372 296444521 /nfs/dbraw/zinc/44/45/21/296444521.db2.gz OLUPTXUQRQLIKL-RLFYNMQTSA-N 1 3 317.477 2.511 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)N2CCCCCC2)c1 ZINC000123092575 195542652 /nfs/dbraw/zinc/54/26/52/195542652.db2.gz LUMGTMUFPCEUGM-OAHLLOKOSA-N 1 3 303.450 2.999 20 0 DFADHO CC[N@H+](CCc1cncc(C)n1)Cc1ccc(CN(C)C)cc1 ZINC000626063776 399742823 /nfs/dbraw/zinc/74/28/23/399742823.db2.gz PWMRLPMQQICLGZ-UHFFFAOYSA-N 1 3 312.461 2.911 20 0 DFADHO CC[N@@H+](CCc1cncc(C)n1)Cc1ccc(CN(C)C)cc1 ZINC000626063776 399742827 /nfs/dbraw/zinc/74/28/27/399742827.db2.gz PWMRLPMQQICLGZ-UHFFFAOYSA-N 1 3 312.461 2.911 20 0 DFADHO C[C@H](CO)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000121243291 542583791 /nfs/dbraw/zinc/58/37/91/542583791.db2.gz NVABFELHZMEBIU-QXAKKESOSA-N 1 3 302.462 2.601 20 0 DFADHO C[C@H](CO)CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000121243291 542583795 /nfs/dbraw/zinc/58/37/95/542583795.db2.gz NVABFELHZMEBIU-QXAKKESOSA-N 1 3 302.462 2.601 20 0 DFADHO CCCc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)s1 ZINC000621351187 399763830 /nfs/dbraw/zinc/76/38/30/399763830.db2.gz IBRINKZNNUVJNX-UHFFFAOYSA-N 1 3 309.523 2.816 20 0 DFADHO CCC[NH+]1CCC(NC[C@@H](C)Oc2ccc(OC)cc2)CC1 ZINC000128975223 542621316 /nfs/dbraw/zinc/62/13/16/542621316.db2.gz ZBGJWSBIJYCMHB-OAHLLOKOSA-N 1 3 306.450 2.927 20 0 DFADHO CCCN1CCC([NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000130766012 542633360 /nfs/dbraw/zinc/63/33/60/542633360.db2.gz DQAINJUAQUAYFG-UHFFFAOYSA-N 1 3 302.466 2.646 20 0 DFADHO CC[NH+](CC)CCCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000629980058 399779928 /nfs/dbraw/zinc/77/99/28/399779928.db2.gz LUPDUOKPSBDYCW-UHFFFAOYSA-N 1 3 323.525 2.831 20 0 DFADHO CC(C)(C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)CN1CCCC1 ZINC000348273673 285465757 /nfs/dbraw/zinc/46/57/57/285465757.db2.gz AUANRQANXAMCNA-OLZOCXBDSA-N 1 3 308.388 2.808 20 0 DFADHO COc1cccc(CCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151268076 542666307 /nfs/dbraw/zinc/66/63/07/542666307.db2.gz LRFDDOMQKLTNQW-UHFFFAOYSA-N 1 3 311.429 2.845 20 0 DFADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC000151956048 542672025 /nfs/dbraw/zinc/67/20/25/542672025.db2.gz NETFAILIECMIIS-IAGOWNOFSA-N 1 3 305.466 2.512 20 0 DFADHO C[NH2+]C1(CNC(=O)c2ccc(CN3CCCCC3)cc2)CCC1 ZINC000629998247 399786707 /nfs/dbraw/zinc/78/67/07/399786707.db2.gz SEBVQAYNUUILRO-UHFFFAOYSA-N 1 3 315.461 2.544 20 0 DFADHO C[C@@H](CCNC(=O)c1ccc(CN2CCCCC2)cc1)[NH+](C)C ZINC000617748001 399788575 /nfs/dbraw/zinc/78/85/75/399788575.db2.gz JHLOVVYYCJWTOV-INIZCTEOSA-N 1 3 317.477 2.743 20 0 DFADHO CCC[NH+]1CCC(NCCN2c3ccccc3C[C@H]2C)CC1 ZINC000162721581 542739741 /nfs/dbraw/zinc/73/97/41/542739741.db2.gz SOSPFMIUFUXCIS-MRXNPFEDSA-N 1 3 301.478 2.902 20 0 DFADHO CN1CCC[N@H+](CCCNCc2ccc(F)c(Cl)c2)CC1 ZINC000161994744 542735348 /nfs/dbraw/zinc/73/53/48/542735348.db2.gz ZOFHGRUQUPZCRH-UHFFFAOYSA-N 1 3 313.848 2.596 20 0 DFADHO CN1CCC[N@@H+](CCCNCc2ccc(F)c(Cl)c2)CC1 ZINC000161994744 542735352 /nfs/dbraw/zinc/73/53/52/542735352.db2.gz ZOFHGRUQUPZCRH-UHFFFAOYSA-N 1 3 313.848 2.596 20 0 DFADHO Cc1ccc([C@@H](CNC(=O)CC[NH2+]C(C)C)N2CCCC2)cc1 ZINC000166325000 542751881 /nfs/dbraw/zinc/75/18/81/542751881.db2.gz BEXBCXYPVRLFAG-GOSISDBHSA-N 1 3 317.477 2.636 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)Nc2cccc(CNC)c2)CC1 ZINC000632949925 399805612 /nfs/dbraw/zinc/80/56/12/399805612.db2.gz HBRSUPZLLXWSFJ-UHFFFAOYSA-N 1 3 318.465 2.744 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000632952940 399806488 /nfs/dbraw/zinc/80/64/88/399806488.db2.gz LVTGDYSDDXLZSV-UHFFFAOYSA-N 1 3 316.449 2.628 20 0 DFADHO CCO[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCCCC2)C12CCCCC2 ZINC000181560182 542790342 /nfs/dbraw/zinc/79/03/42/542790342.db2.gz RSXKEUNJXKDLNZ-OKZBNKHCSA-N 1 3 324.509 2.551 20 0 DFADHO COc1cccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1F ZINC000192674777 542853298 /nfs/dbraw/zinc/85/32/98/542853298.db2.gz HYTRHRRCPQDOCQ-GJZGRUSLSA-N 1 3 324.440 2.813 20 0 DFADHO CN(C)c1ccccc1C[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261605906 542951795 /nfs/dbraw/zinc/95/17/95/542951795.db2.gz BGINJWOGDVRSLS-MOPGFXCFSA-N 1 3 309.457 2.927 20 0 DFADHO CN(C)c1ccccc1C[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261605906 542951799 /nfs/dbraw/zinc/95/17/99/542951799.db2.gz BGINJWOGDVRSLS-MOPGFXCFSA-N 1 3 309.457 2.927 20 0 DFADHO CN(C)c1ccccc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261605906 542951802 /nfs/dbraw/zinc/95/18/02/542951802.db2.gz BGINJWOGDVRSLS-MOPGFXCFSA-N 1 3 309.457 2.927 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000280146970 542986994 /nfs/dbraw/zinc/98/69/94/542986994.db2.gz PZRDBPIOYLCVKJ-CZUORRHYSA-N 1 3 304.434 2.623 20 0 DFADHO CC[NH+]1CCC(CCNC(=O)Nc2cc(C)cc(CN)c2)CC1 ZINC000424443032 296510132 /nfs/dbraw/zinc/51/01/32/296510132.db2.gz ZEZCZYWDZSTOSG-UHFFFAOYSA-N 1 3 318.465 2.697 20 0 DFADHO COc1cccc(N2CCN(CCCC3CC[NH2+]CC3)CC2)c1 ZINC000321069306 543083925 /nfs/dbraw/zinc/08/39/25/543083925.db2.gz ZONVGFJTVHSUNE-UHFFFAOYSA-N 1 3 317.477 2.597 20 0 DFADHO CCCC[N@H+](C)CC1CCN(CCOC2CCOCC2)CC1 ZINC000625088900 399843752 /nfs/dbraw/zinc/84/37/52/399843752.db2.gz KTNBBIXDYBCZBL-UHFFFAOYSA-N 1 3 312.498 2.626 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(CCOC2CCOCC2)CC1 ZINC000625088900 399843758 /nfs/dbraw/zinc/84/37/58/399843758.db2.gz KTNBBIXDYBCZBL-UHFFFAOYSA-N 1 3 312.498 2.626 20 0 DFADHO CCN(CCC[NH+](CC)CC)C(=O)c1cccc2c1CCNC2 ZINC000322929847 543091317 /nfs/dbraw/zinc/09/13/17/543091317.db2.gz NCGWBRUUFUYCEF-UHFFFAOYSA-N 1 3 317.477 2.526 20 0 DFADHO C1CCC(N2CCC([NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)C1 ZINC000358315296 543266514 /nfs/dbraw/zinc/26/65/14/543266514.db2.gz GYTWERAJJRVYKT-QGZVFWFLSA-N 1 3 322.493 2.711 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1c(C)nn(CC)c1C ZINC000166033863 145232771 /nfs/dbraw/zinc/23/27/71/145232771.db2.gz VEFGIVWPJUOAIZ-XJKSGUPXSA-N 1 3 310.486 2.527 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000167480838 145240475 /nfs/dbraw/zinc/24/04/75/145240475.db2.gz CQXJHWSMZOMVMV-OEUWWYETSA-N 1 3 323.431 2.862 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000167480838 145240481 /nfs/dbraw/zinc/24/04/81/145240481.db2.gz CQXJHWSMZOMVMV-OEUWWYETSA-N 1 3 323.431 2.862 20 0 DFADHO CC(C)C[C@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000169233875 145245503 /nfs/dbraw/zinc/24/55/03/145245503.db2.gz AKPNOCZADDWYMI-INIZCTEOSA-N 1 3 316.449 2.515 20 0 DFADHO C[C@@](O)(C[NH2+]C1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000169166643 145246515 /nfs/dbraw/zinc/24/65/15/145246515.db2.gz CFGVJVMPAQMQGQ-LJQANCHMSA-N 1 3 302.462 2.891 20 0 DFADHO CC(=O)Nc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000171343213 145264473 /nfs/dbraw/zinc/26/44/73/145264473.db2.gz YXUBGKXFOJJUDW-UHFFFAOYSA-N 1 3 315.461 2.953 20 0 DFADHO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)o1 ZINC000175008529 145396686 /nfs/dbraw/zinc/39/66/86/145396686.db2.gz LPGSMGLMAPJEMN-CABCVRRESA-N 1 3 302.422 2.941 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633953987 399965043 /nfs/dbraw/zinc/96/50/43/399965043.db2.gz UXWKRHYMRGWKCA-QGZVFWFLSA-N 1 3 321.509 2.728 20 0 DFADHO Cc1ccccc1C[NH+]1CCC(NCc2ccc(=O)[nH]c2)CC1 ZINC000631044033 399968391 /nfs/dbraw/zinc/96/83/91/399968391.db2.gz CCNVWVPPGHDQNU-UHFFFAOYSA-N 1 3 311.429 2.850 20 0 DFADHO CCC[NH+]1CCC(CNCc2cnc(CCOC)s2)CC1 ZINC000631062741 399972541 /nfs/dbraw/zinc/97/25/41/399972541.db2.gz ANHLAMYVRZWWIX-UHFFFAOYSA-N 1 3 311.495 2.544 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000634119930 399985023 /nfs/dbraw/zinc/98/50/23/399985023.db2.gz CDOLOKIHFZJQBO-UHFFFAOYSA-N 1 3 317.477 2.695 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000634120877 399985238 /nfs/dbraw/zinc/98/52/38/399985238.db2.gz PQMOAEXNCHMJPD-OWCLPIDISA-N 1 3 309.498 2.581 20 0 DFADHO CC[C@H]1CCCC[C@@H]1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000628121071 399987607 /nfs/dbraw/zinc/98/76/07/399987607.db2.gz PXAPDKPDMVMGCE-RBUKOAKNSA-N 1 3 307.526 2.916 20 0 DFADHO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CO1 ZINC000631194537 400000383 /nfs/dbraw/zinc/00/03/83/400000383.db2.gz LYTDIDYFRLNLGD-OQIJWPOYSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@@H]1C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CO1 ZINC000631194537 400000384 /nfs/dbraw/zinc/00/03/84/400000384.db2.gz LYTDIDYFRLNLGD-OQIJWPOYSA-N 1 3 302.462 2.912 20 0 DFADHO CC[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CO1 ZINC000631194537 400000385 /nfs/dbraw/zinc/00/03/85/400000385.db2.gz LYTDIDYFRLNLGD-OQIJWPOYSA-N 1 3 302.462 2.912 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)[C@@H](C)O1 ZINC000631195706 400001162 /nfs/dbraw/zinc/00/11/62/400001162.db2.gz ZXMPXWDZNOOJRZ-RTYCURFASA-N 1 3 302.462 2.910 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@@H](C)O1 ZINC000631195706 400001165 /nfs/dbraw/zinc/00/11/65/400001165.db2.gz ZXMPXWDZNOOJRZ-RTYCURFASA-N 1 3 302.462 2.910 20 0 DFADHO C[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@@H](C)O1 ZINC000631195706 400001166 /nfs/dbraw/zinc/00/11/66/400001166.db2.gz ZXMPXWDZNOOJRZ-RTYCURFASA-N 1 3 302.462 2.910 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C1CC(F)(F)C1 ZINC000628337279 400022326 /nfs/dbraw/zinc/02/23/26/400022326.db2.gz ATDISPLRWPCRPV-GUYCJALGSA-N 1 3 324.415 2.777 20 0 DFADHO COCCC1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000628383786 400028157 /nfs/dbraw/zinc/02/81/57/400028157.db2.gz FNLIOJHPIIMKDL-UHFFFAOYSA-N 1 3 320.477 2.876 20 0 DFADHO CN(C)[C@@H](CC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000628747382 400052069 /nfs/dbraw/zinc/05/20/69/400052069.db2.gz PEHKHJCQYTVNJE-WMZOPIPTSA-N 1 3 317.477 2.528 20 0 DFADHO CN(C)[C@@H](CC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628747382 400052071 /nfs/dbraw/zinc/05/20/71/400052071.db2.gz PEHKHJCQYTVNJE-WMZOPIPTSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@@H](CCc1c[nH]c2ccccc12)NC[C@@H](O)C[NH+]1CCCC1 ZINC000631572369 400053013 /nfs/dbraw/zinc/05/30/13/400053013.db2.gz QDUHGEKIIUHQON-DOTOQJQBSA-N 1 3 315.461 2.535 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3ncccc32)C[C@H](C)O1 ZINC000631596974 400056585 /nfs/dbraw/zinc/05/65/85/400056585.db2.gz ORTBXMQCLHMKTC-SOLBZPMBSA-N 1 3 317.477 2.938 20 0 DFADHO COc1ccc2c(c1)CC[C@@H]2NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000631621798 400058981 /nfs/dbraw/zinc/05/89/81/400058981.db2.gz LDTACJZPJURTPT-KXBFYZLASA-N 1 3 318.461 2.773 20 0 DFADHO COc1ccc2c(c1)CC[C@@H]2NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000631621798 400058983 /nfs/dbraw/zinc/05/89/83/400058983.db2.gz LDTACJZPJURTPT-KXBFYZLASA-N 1 3 318.461 2.773 20 0 DFADHO C[C@H]1C[N@H+](CCCN[C@@H]2CCCc3ncccc32)CCCO1 ZINC000631621724 400059082 /nfs/dbraw/zinc/05/90/82/400059082.db2.gz JSTFLYLUDQQZFX-MAUKXSAKSA-N 1 3 303.450 2.550 20 0 DFADHO C[C@H]1C[N@@H+](CCCN[C@@H]2CCCc3ncccc32)CCCO1 ZINC000631621724 400059083 /nfs/dbraw/zinc/05/90/83/400059083.db2.gz JSTFLYLUDQQZFX-MAUKXSAKSA-N 1 3 303.450 2.550 20 0 DFADHO C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CCCN(CC2CC2)C1 ZINC000631647248 400061512 /nfs/dbraw/zinc/06/15/12/400061512.db2.gz GBFCVNKMYJCEPZ-OWSLCNJRSA-N 1 3 304.478 2.656 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2cccc3c2CCOC3)[C@@H]2CCC[C@H]21 ZINC000631732586 400070964 /nfs/dbraw/zinc/07/09/64/400070964.db2.gz LLLKLUYDZGNJTF-GBESFXJTSA-N 1 3 300.446 2.722 20 0 DFADHO C[N@H+]1CC[C@H](NCc2cccc3c2CCOC3)[C@@H]2CCC[C@H]21 ZINC000631732586 400070965 /nfs/dbraw/zinc/07/09/65/400070965.db2.gz LLLKLUYDZGNJTF-GBESFXJTSA-N 1 3 300.446 2.722 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000631754507 400072629 /nfs/dbraw/zinc/07/26/29/400072629.db2.gz JPULCJVKSKIPGX-AAVRWANBSA-N 1 3 308.388 2.664 20 0 DFADHO COC(=O)[C@@H](CCN1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000425409343 296578231 /nfs/dbraw/zinc/57/82/31/296578231.db2.gz UXRPSBYQUIFMMU-SFHVURJKSA-N 1 3 318.461 2.607 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+]CC3(C)CCC3)cc2)CC1 ZINC000434771381 543349723 /nfs/dbraw/zinc/34/97/23/543349723.db2.gz BLWAINAENVFCKS-UHFFFAOYSA-N 1 3 301.478 2.714 20 0 DFADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(Br)cc1 ZINC000231786812 146016580 /nfs/dbraw/zinc/01/65/80/146016580.db2.gz KZJTYCUDDWQCDS-GFCCVEGCSA-N 1 3 315.255 2.678 20 0 DFADHO CC(C)C[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236725952 146024297 /nfs/dbraw/zinc/02/42/97/146024297.db2.gz YVUOIPAYTMWFPV-GOSISDBHSA-N 1 3 317.477 2.662 20 0 DFADHO CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000236761073 146025424 /nfs/dbraw/zinc/02/54/24/146025424.db2.gz IENWXJDYZRSTPP-ZWKOTPCHSA-N 1 3 317.477 2.675 20 0 DFADHO CCCC[C@@H](N)C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000236764800 146025823 /nfs/dbraw/zinc/02/58/23/146025823.db2.gz KYQLCTYKHGHUJE-SJORKVTESA-N 1 3 305.466 2.703 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000449157846 543362322 /nfs/dbraw/zinc/36/23/22/543362322.db2.gz WNIBAIUSJMGNLU-XLNTUCKNSA-N 1 3 314.473 2.992 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000245569299 146085656 /nfs/dbraw/zinc/08/56/56/146085656.db2.gz AMBRRVRRIJRYSO-FOZNTRSISA-N 1 3 323.431 2.782 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000245569299 146085659 /nfs/dbraw/zinc/08/56/59/146085659.db2.gz AMBRRVRRIJRYSO-FOZNTRSISA-N 1 3 323.431 2.782 20 0 DFADHO CCN1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090615 146160382 /nfs/dbraw/zinc/16/03/82/146160382.db2.gz NZHWDEOMENFHDE-XEYPJELSSA-N 1 3 315.505 2.969 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090615 146160383 /nfs/dbraw/zinc/16/03/83/146160383.db2.gz NZHWDEOMENFHDE-XEYPJELSSA-N 1 3 315.505 2.969 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090615 146160384 /nfs/dbraw/zinc/16/03/84/146160384.db2.gz NZHWDEOMENFHDE-XEYPJELSSA-N 1 3 315.505 2.969 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@@H](C)C1 ZINC000247090541 146160679 /nfs/dbraw/zinc/16/06/79/146160679.db2.gz NZDDAHPSMDWEQE-VBQJREDUSA-N 1 3 323.431 2.863 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@@H](C)C1 ZINC000247090541 146160682 /nfs/dbraw/zinc/16/06/82/146160682.db2.gz NZDDAHPSMDWEQE-VBQJREDUSA-N 1 3 323.431 2.863 20 0 DFADHO CSC[C@H](O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249459801 146197986 /nfs/dbraw/zinc/19/79/86/146197986.db2.gz OQNMWUQNELOTQO-RYQLBKOJSA-N 1 3 322.518 2.695 20 0 DFADHO CSC[C@H](O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249459801 146197989 /nfs/dbraw/zinc/19/79/89/146197989.db2.gz OQNMWUQNELOTQO-RYQLBKOJSA-N 1 3 322.518 2.695 20 0 DFADHO O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000250127773 146209890 /nfs/dbraw/zinc/20/98/90/146209890.db2.gz WOBKMHWOVIVDIS-KNJMJIDISA-N 1 3 314.473 2.790 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OC(F)(F)F)cc3)C[C@H]12 ZINC000261716344 146265201 /nfs/dbraw/zinc/26/52/01/146265201.db2.gz PPEGQQJAQXDAFX-KWCYVHTRSA-N 1 3 300.324 2.754 20 0 DFADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(OC(F)(F)F)c3)C[C@H]12 ZINC000261773623 146274635 /nfs/dbraw/zinc/27/46/35/146274635.db2.gz WFDPWWWRSOESFJ-KWCYVHTRSA-N 1 3 300.324 2.754 20 0 DFADHO [NH3+]CC[C@@H]1CCCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000261794456 146277650 /nfs/dbraw/zinc/27/76/50/146277650.db2.gz GLUYTXVGEOFDBF-HNNXBMFYSA-N 1 3 316.424 2.631 20 0 DFADHO COc1cc(C)c(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1OC ZINC000261798462 146278806 /nfs/dbraw/zinc/27/88/06/146278806.db2.gz UOWWIVPYGCCMBA-QGZVFWFLSA-N 1 3 318.461 2.976 20 0 DFADHO c1cc(CN2CCCCC2)cc(-c2noc([C@H]3CC[NH2+]C3)n2)c1 ZINC000261878133 146293765 /nfs/dbraw/zinc/29/37/65/146293765.db2.gz VYAGZYJOCYOGGT-INIZCTEOSA-N 1 3 312.417 2.799 20 0 DFADHO CN(C[C@]1(C)CC[NH2+]C1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000261881834 146294977 /nfs/dbraw/zinc/29/49/77/146294977.db2.gz RCOHASOUYKRSHB-OKZBNKHCSA-N 1 3 306.425 2.977 20 0 DFADHO C[C@@]1(CN2CCCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261907094 146298859 /nfs/dbraw/zinc/29/88/59/146298859.db2.gz XIQCZTUNWCDCFO-GOSISDBHSA-N 1 3 321.896 2.847 20 0 DFADHO C[C@@]1(CN2CCC(CN3CCc4ccccc43)CC2)CC[NH2+]C1 ZINC000261913216 146300719 /nfs/dbraw/zinc/30/07/19/146300719.db2.gz YVYLNMCTKUEKFM-HXUWFJFHSA-N 1 3 313.489 2.761 20 0 DFADHO C[C@@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccccc1Cl ZINC000261980817 146315961 /nfs/dbraw/zinc/31/59/61/146315961.db2.gz RHFQXEITOGOAOB-KGLIPLIRSA-N 1 3 323.868 2.578 20 0 DFADHO CCN(C)c1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cn1 ZINC000261999409 146318878 /nfs/dbraw/zinc/31/88/78/146318878.db2.gz TYLPKAOOJHWYJP-QGZVFWFLSA-N 1 3 302.466 2.502 20 0 DFADHO C[NH2+]CC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000262028052 146323294 /nfs/dbraw/zinc/32/32/94/146323294.db2.gz WVILOCLIEMZIPI-UHFFFAOYSA-N 1 3 316.424 2.502 20 0 DFADHO COc1ccccc1CC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262057879 146328620 /nfs/dbraw/zinc/32/86/20/146328620.db2.gz QWIKDYBOYSAQQF-LJQANCHMSA-N 1 3 302.462 2.949 20 0 DFADHO COC(=O)c1ccc(Cl)c(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262109324 146334479 /nfs/dbraw/zinc/33/44/79/146334479.db2.gz WGVUQGWYLRNBSS-UHFFFAOYSA-N 1 3 322.836 2.702 20 0 DFADHO C[C@H]1CN(CCCC[NH2+]Cc2scnc2C2CC2)C[C@H](C)O1 ZINC000486940865 543400167 /nfs/dbraw/zinc/40/01/67/543400167.db2.gz PPBLCTLYMJFXBM-KBPBESRZSA-N 1 3 323.506 3.000 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(CC(C)C)C2)[C@H]1C ZINC000354571121 147082760 /nfs/dbraw/zinc/08/27/60/147082760.db2.gz LKHLSAAWQKCDCV-MHORFTMASA-N 1 3 324.509 2.922 20 0 DFADHO C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C(C)(C)C1 ZINC000354849819 147175689 /nfs/dbraw/zinc/17/56/89/147175689.db2.gz MAQCTGBHWFYAID-DOTOQJQBSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C(C)(C)C1 ZINC000354849819 147175693 /nfs/dbraw/zinc/17/56/93/147175693.db2.gz MAQCTGBHWFYAID-DOTOQJQBSA-N 1 3 317.477 2.526 20 0 DFADHO COc1cc2c(cc1OC)[C@H](NC[C@H]1CCC[N@H+](C)C1)CC2 ZINC000526041100 543429174 /nfs/dbraw/zinc/42/91/74/543429174.db2.gz GNILGZSOPTZGFG-CZUORRHYSA-N 1 3 304.434 2.623 20 0 DFADHO COc1cc2c(cc1OC)[C@H](NC[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000526041100 543429176 /nfs/dbraw/zinc/42/91/76/543429176.db2.gz GNILGZSOPTZGFG-CZUORRHYSA-N 1 3 304.434 2.623 20 0 DFADHO CO[C@H](Cc1ccccc1)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000296727920 286016563 /nfs/dbraw/zinc/01/65/63/286016563.db2.gz IGEQMCRGTOPPCK-IPMKNSEASA-N 1 3 302.462 2.660 20 0 DFADHO CO[C@H](Cc1ccccc1)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000296727920 286016565 /nfs/dbraw/zinc/01/65/65/286016565.db2.gz IGEQMCRGTOPPCK-IPMKNSEASA-N 1 3 302.462 2.660 20 0 DFADHO C[C@H](CCc1ccccc1)[NH+]1CCC(N(C)C[C@H](C)O)CC1 ZINC000357639667 148066515 /nfs/dbraw/zinc/06/65/15/148066515.db2.gz VOEMNUUXJGHDEJ-SJORKVTESA-N 1 3 304.478 2.785 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000296727920 286016560 /nfs/dbraw/zinc/01/65/60/286016560.db2.gz IGEQMCRGTOPPCK-IPMKNSEASA-N 1 3 302.462 2.660 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000296727920 286016561 /nfs/dbraw/zinc/01/65/61/286016561.db2.gz IGEQMCRGTOPPCK-IPMKNSEASA-N 1 3 302.462 2.660 20 0 DFADHO C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)N1CCCCCC1 ZINC000357836111 148143331 /nfs/dbraw/zinc/14/33/31/148143331.db2.gz UYXLHLJTOHBGSV-KRWDZBQOSA-N 1 3 309.498 2.633 20 0 DFADHO CCO[C@H]1C[C@H]([NH2+]CC(C)(C)CN2CCCC2)C12CCOCC2 ZINC000357847658 148147601 /nfs/dbraw/zinc/14/76/01/148147601.db2.gz JNLBXJCVCWEVOI-IRXDYDNUSA-N 1 3 324.509 2.672 20 0 DFADHO CCO[C@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)C12CCOCC2 ZINC000357847658 148147605 /nfs/dbraw/zinc/14/76/05/148147605.db2.gz JNLBXJCVCWEVOI-IRXDYDNUSA-N 1 3 324.509 2.672 20 0 DFADHO C[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)N1CCCCCC1 ZINC000357918614 148175234 /nfs/dbraw/zinc/17/52/34/148175234.db2.gz UJKSHFNZOJYGNH-KRWDZBQOSA-N 1 3 323.525 2.974 20 0 DFADHO C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)N1CCCCCC1 ZINC000357918614 148175235 /nfs/dbraw/zinc/17/52/35/148175235.db2.gz UJKSHFNZOJYGNH-KRWDZBQOSA-N 1 3 323.525 2.974 20 0 DFADHO CCCN1CCN(c2ccccc2C[NH2+]CCOC(C)C)CC1 ZINC000350230096 286020139 /nfs/dbraw/zinc/02/01/39/286020139.db2.gz XJVSOESXJBFKOH-UHFFFAOYSA-N 1 3 319.493 2.733 20 0 DFADHO CN1CCC[C@@H](C[NH2+]Cc2ccnn2CCc2ccccc2)C1 ZINC000621335155 543482851 /nfs/dbraw/zinc/48/28/51/543482851.db2.gz CTBQRJAUJJHOIF-SFHVURJKSA-N 1 3 312.461 2.557 20 0 DFADHO COc1cccc(COCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000358221578 148290626 /nfs/dbraw/zinc/29/06/26/148290626.db2.gz GYKHDYOKWPZLTJ-RLFYNMQTSA-N 1 3 306.450 2.530 20 0 DFADHO COc1cccc(COCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000358221578 148290633 /nfs/dbraw/zinc/29/06/33/148290633.db2.gz GYKHDYOKWPZLTJ-RLFYNMQTSA-N 1 3 306.450 2.530 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCOCc2cccc(OC)c2)[C@@H](C)C1 ZINC000358239810 148298597 /nfs/dbraw/zinc/29/85/97/148298597.db2.gz ZOEFIKPFZWHDSI-YJBOKZPZSA-N 1 3 306.450 2.532 20 0 DFADHO CC[N@H+]1CC[C@H](NCCOCc2cccc(OC)c2)[C@@H](C)C1 ZINC000358239810 148298602 /nfs/dbraw/zinc/29/86/02/148298602.db2.gz ZOEFIKPFZWHDSI-YJBOKZPZSA-N 1 3 306.450 2.532 20 0 DFADHO CC[NH+](CC)CCOCCNCc1ccc2ncccc2c1 ZINC000350350348 286031032 /nfs/dbraw/zinc/03/10/32/286031032.db2.gz FTDFMQYHCVBFBV-UHFFFAOYSA-N 1 3 301.434 2.683 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCc2ccc(OC)cc2)C1 ZINC000350364900 286032309 /nfs/dbraw/zinc/03/23/09/286032309.db2.gz KAVSUOQSICJJOO-LJQANCHMSA-N 1 3 320.477 2.670 20 0 DFADHO C[C@@H](c1nc(-c2ccccc2)no1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358516023 148382133 /nfs/dbraw/zinc/38/21/33/148382133.db2.gz NUURFBWOJGPFQL-AWEZNQCLSA-N 1 3 312.417 2.873 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(C3CCCCC3)CC2)C1 ZINC000660010313 543524071 /nfs/dbraw/zinc/52/40/71/543524071.db2.gz JHRQTOTVWRRFNJ-HDICACEKSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCN(C3CCCCC3)CC2)C1 ZINC000660010313 543524075 /nfs/dbraw/zinc/52/40/75/543524075.db2.gz JHRQTOTVWRRFNJ-HDICACEKSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1CN(CCCc2ccsc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000361096645 149027499 /nfs/dbraw/zinc/02/74/99/149027499.db2.gz MHNKWSDSZBXPBZ-AEFFLSMTSA-N 1 3 321.534 2.639 20 0 DFADHO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1cccc(OCCN(C)C)c1 ZINC000361396337 149104714 /nfs/dbraw/zinc/10/47/14/149104714.db2.gz GARVOLPQDOZFRC-YJBOKZPZSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000361763746 149213111 /nfs/dbraw/zinc/21/31/11/149213111.db2.gz FWUCONMAEXGCKM-RYRKJORJSA-N 1 3 317.477 2.657 20 0 DFADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000361763746 149213115 /nfs/dbraw/zinc/21/31/15/149213115.db2.gz FWUCONMAEXGCKM-RYRKJORJSA-N 1 3 317.477 2.657 20 0 DFADHO [NH2+]=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)Nc1ccccn1 ZINC000361803755 149224682 /nfs/dbraw/zinc/22/46/82/149224682.db2.gz LPAURJZVWBNRMZ-KRWDZBQOSA-N 1 3 323.444 2.930 20 0 DFADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccccc1CN(C)C ZINC000362759735 149359991 /nfs/dbraw/zinc/35/99/91/149359991.db2.gz MWDLWXJEOJGGJI-HOTGVXAUSA-N 1 3 317.477 2.741 20 0 DFADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(OCc4cccnc4)cc3)C[C@@H]12 ZINC000351480898 286131112 /nfs/dbraw/zinc/13/11/12/286131112.db2.gz WGJADRQAQBNMIC-DFQSSKMNSA-N 1 3 323.440 2.830 20 0 DFADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(F)cc1OC(F)F ZINC000351501069 286137140 /nfs/dbraw/zinc/13/71/40/286137140.db2.gz IDQYVQRFGGRTIQ-LLVKDONJSA-N 1 3 320.355 2.656 20 0 DFADHO CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000371280291 150014432 /nfs/dbraw/zinc/01/44/32/150014432.db2.gz OQRMRMYLZWPHGL-KZNAEPCWSA-N 1 3 315.461 2.552 20 0 DFADHO Cc1noc(C)c1CN1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371329342 150023370 /nfs/dbraw/zinc/02/33/70/150023370.db2.gz HNMCJAONIVTMPU-HNNXBMFYSA-N 1 3 303.450 2.988 20 0 DFADHO Cc1noc(C)c1CN1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371329342 150023374 /nfs/dbraw/zinc/02/33/74/150023374.db2.gz HNMCJAONIVTMPU-HNNXBMFYSA-N 1 3 303.450 2.988 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@H](c3ccccc3)C3CC3)C2)CC1 ZINC000371401520 150039358 /nfs/dbraw/zinc/03/93/58/150039358.db2.gz POIQXRPODXCEIG-AZUAARDMSA-N 1 3 313.489 2.896 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCc2ccccc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000371433549 150046333 /nfs/dbraw/zinc/04/63/33/150046333.db2.gz XIBVSJJPJMRHGC-HNAYVOBHSA-N 1 3 312.461 2.907 20 0 DFADHO CC[N@H+]1CC[C@@H](NCc2ccccc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000371433549 150046334 /nfs/dbraw/zinc/04/63/34/150046334.db2.gz XIBVSJJPJMRHGC-HNAYVOBHSA-N 1 3 312.461 2.907 20 0 DFADHO Cc1noc(C2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)n1 ZINC000371449758 150048584 /nfs/dbraw/zinc/04/85/84/150048584.db2.gz XAUJUIISCPFAMS-CKUJCDMFSA-N 1 3 304.438 2.621 20 0 DFADHO Cc1cccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1C ZINC000371470422 150052244 /nfs/dbraw/zinc/05/22/44/150052244.db2.gz LIELCTHPYSIOKH-GBESFXJTSA-N 1 3 302.462 2.987 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000371727771 150087828 /nfs/dbraw/zinc/08/78/28/150087828.db2.gz LSZQNDAYFOPQKH-WFASDCNBSA-N 1 3 305.397 2.531 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H]2CCCOc3cc(OC)ccc32)C1 ZINC000371877199 150107068 /nfs/dbraw/zinc/10/70/68/150107068.db2.gz TXIXNKKAEKXWEY-PBHICJAKSA-N 1 3 304.434 2.840 20 0 DFADHO COc1cccc(N2CCC([NH2+]CCCN3CCCC3)CC2)c1 ZINC000372780373 150184370 /nfs/dbraw/zinc/18/43/70/150184370.db2.gz KGXDIAZLBNNSPQ-UHFFFAOYSA-N 1 3 317.477 2.740 20 0 DFADHO C[NH+](C)CCCC1CCN(Cc2cnn(CC(F)F)c2)CC1 ZINC000351666707 286187574 /nfs/dbraw/zinc/18/75/74/286187574.db2.gz XFGIFZVFJAVJIV-UHFFFAOYSA-N 1 3 314.424 2.702 20 0 DFADHO N[C@@H](CC(=O)N1CCCc2cc(C[NH3+])ccc21)c1ccccc1 ZINC000378202027 150769478 /nfs/dbraw/zinc/76/94/78/150769478.db2.gz PKHWJJFFJHZXJD-KRWDZBQOSA-N 1 3 309.413 2.515 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000351897553 286239838 /nfs/dbraw/zinc/23/98/38/286239838.db2.gz PUAKVAKYILXIQF-QGZVFWFLSA-N 1 3 321.465 2.732 20 0 DFADHO COc1cc2c(cc1OC)CC[NH+](CC[C@@H]1CCCN1C)CC2 ZINC000371325281 286258367 /nfs/dbraw/zinc/25/83/67/286258367.db2.gz DJLQQUFUGIHWNM-KRWDZBQOSA-N 1 3 318.461 2.589 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C12CCOCC2 ZINC000186211983 286277174 /nfs/dbraw/zinc/27/71/74/286277174.db2.gz FWLYRCDMLBQOOU-HZPDHXFCSA-N 1 3 324.509 2.859 20 0 DFADHO CCO[C@@H]1C[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C12CCOCC2 ZINC000186211983 286277175 /nfs/dbraw/zinc/27/71/75/286277175.db2.gz FWLYRCDMLBQOOU-HZPDHXFCSA-N 1 3 324.509 2.859 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000247172390 292255785 /nfs/dbraw/zinc/25/57/85/292255785.db2.gz YRAGCCDGMCXHQU-JFRXWTBNSA-N 1 3 303.494 2.916 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000247172390 292255787 /nfs/dbraw/zinc/25/57/87/292255787.db2.gz YRAGCCDGMCXHQU-JFRXWTBNSA-N 1 3 303.494 2.916 20 0 DFADHO Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)N(C)C)cc1 ZINC000247172390 292255788 /nfs/dbraw/zinc/25/57/88/292255788.db2.gz YRAGCCDGMCXHQU-JFRXWTBNSA-N 1 3 303.494 2.916 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000352139998 286302217 /nfs/dbraw/zinc/30/22/17/286302217.db2.gz IRXAUKXAZOHSBT-IRXDYDNUSA-N 1 3 305.466 2.572 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000352349922 286350139 /nfs/dbraw/zinc/35/01/39/286350139.db2.gz IIZIQDMFUUGKNH-WMZOPIPTSA-N 1 3 319.493 2.790 20 0 DFADHO COc1ccc([C@@H](CN(C)C)[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000298120717 286356489 /nfs/dbraw/zinc/35/64/89/286356489.db2.gz PGRIWCYTPKHILA-LJQANCHMSA-N 1 3 317.477 2.514 20 0 DFADHO Cn1cc([C@@H](NCCCC[NH+](C)C)c2cccc(F)c2)cn1 ZINC000352557089 286406860 /nfs/dbraw/zinc/40/68/60/286406860.db2.gz JHTZSBQKWGMETH-KRWDZBQOSA-N 1 3 304.413 2.580 20 0 DFADHO CN(C)Cc1cnc(CNCCCCC[NH+]2CCCCC2)s1 ZINC000352761596 286460322 /nfs/dbraw/zinc/46/03/22/286460322.db2.gz CFKKDVRXNXSIAL-UHFFFAOYSA-N 1 3 324.538 2.951 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000352968313 286515677 /nfs/dbraw/zinc/51/56/77/286515677.db2.gz ORLCAOMIDOGFFG-SJORKVTESA-N 1 3 309.498 2.630 20 0 DFADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000429339817 296743874 /nfs/dbraw/zinc/74/38/74/296743874.db2.gz RWIVCLUNZGKFSN-IRXDYDNUSA-N 1 3 301.434 2.569 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000245951863 158082324 /nfs/dbraw/zinc/08/23/24/158082324.db2.gz WNPDFAMKCRACET-HQQPKKBNSA-N 1 3 310.388 2.867 20 0 DFADHO C[C@@H]1C[C@H](N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000245951863 158082325 /nfs/dbraw/zinc/08/23/25/158082325.db2.gz WNPDFAMKCRACET-HQQPKKBNSA-N 1 3 310.388 2.867 20 0 DFADHO CCCCOC(=O)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246281671 158083806 /nfs/dbraw/zinc/08/38/06/158083806.db2.gz AYPORONZUKWLSP-DOTOQJQBSA-N 1 3 308.466 2.669 20 0 DFADHO CCCCOC(=O)CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246281671 158083809 /nfs/dbraw/zinc/08/38/09/158083809.db2.gz AYPORONZUKWLSP-DOTOQJQBSA-N 1 3 308.466 2.669 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000247067979 158118055 /nfs/dbraw/zinc/11/80/55/158118055.db2.gz ODWDRIZPRKSFIX-FHLIZLRMSA-N 1 3 307.457 2.748 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000247067979 158118057 /nfs/dbraw/zinc/11/80/57/158118057.db2.gz ODWDRIZPRKSFIX-FHLIZLRMSA-N 1 3 307.457 2.748 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000247067979 158118061 /nfs/dbraw/zinc/11/80/61/158118061.db2.gz ODWDRIZPRKSFIX-FHLIZLRMSA-N 1 3 307.457 2.748 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000247164522 158120890 /nfs/dbraw/zinc/12/08/90/158120890.db2.gz UJYCAYGLJDXIBS-XJKSGUPXSA-N 1 3 316.424 2.892 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000247164522 158120892 /nfs/dbraw/zinc/12/08/92/158120892.db2.gz UJYCAYGLJDXIBS-XJKSGUPXSA-N 1 3 316.424 2.892 20 0 DFADHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1F ZINC000247164522 158120894 /nfs/dbraw/zinc/12/08/94/158120894.db2.gz UJYCAYGLJDXIBS-XJKSGUPXSA-N 1 3 316.424 2.892 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000247439926 158136206 /nfs/dbraw/zinc/13/62/06/158136206.db2.gz WOOJYUUHDRWBRY-SJLPKXTDSA-N 1 3 315.461 2.821 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000247439926 158136207 /nfs/dbraw/zinc/13/62/07/158136207.db2.gz WOOJYUUHDRWBRY-SJLPKXTDSA-N 1 3 315.461 2.821 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000247439926 158136209 /nfs/dbraw/zinc/13/62/09/158136209.db2.gz WOOJYUUHDRWBRY-SJLPKXTDSA-N 1 3 315.461 2.821 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000247439926 158136210 /nfs/dbraw/zinc/13/62/10/158136210.db2.gz WOOJYUUHDRWBRY-SJLPKXTDSA-N 1 3 315.461 2.821 20 0 DFADHO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000248391011 158171267 /nfs/dbraw/zinc/17/12/67/158171267.db2.gz BSAUCOLVGGGOKL-ZRGWGRIASA-N 1 3 312.461 2.999 20 0 DFADHO C[N@@H+]1CC[C@@H]2CCN(CCCc3ccc4c(c3)CCO4)[C@H]2C1 ZINC000248666418 158195799 /nfs/dbraw/zinc/19/57/99/158195799.db2.gz NQGCXDINDADFAD-AEFFLSMTSA-N 1 3 300.446 2.580 20 0 DFADHO C[N@H+]1CC[C@@H]2CCN(CCCc3ccc4c(c3)CCO4)[C@H]2C1 ZINC000248666418 158195800 /nfs/dbraw/zinc/19/58/00/158195800.db2.gz NQGCXDINDADFAD-AEFFLSMTSA-N 1 3 300.446 2.580 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CCC=CO3)CC2)C[C@H](C)O1 ZINC000248822615 158202368 /nfs/dbraw/zinc/20/23/68/158202368.db2.gz FJWMAJDVWRUWCU-ZIFCJYIRSA-N 1 3 322.493 2.890 20 0 DFADHO CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)CCOC ZINC000268783024 158209183 /nfs/dbraw/zinc/20/91/83/158209183.db2.gz QKWSFBRKWRNATO-INIZCTEOSA-N 1 3 308.466 2.922 20 0 DFADHO CC[C@H](C(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1)N(C)C ZINC000356892956 158318572 /nfs/dbraw/zinc/31/85/72/158318572.db2.gz KJOQKYBRWFCPAQ-GOSISDBHSA-N 1 3 323.525 2.687 20 0 DFADHO CC[C@H](C(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1)N(C)C ZINC000356892956 158318574 /nfs/dbraw/zinc/31/85/74/158318574.db2.gz KJOQKYBRWFCPAQ-GOSISDBHSA-N 1 3 323.525 2.687 20 0 DFADHO c1nn(Cc2ccccc2)cc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357054481 158356793 /nfs/dbraw/zinc/35/67/93/158356793.db2.gz QCQZKLJDJDYKDE-HXUWFJFHSA-N 1 3 324.472 2.753 20 0 DFADHO CSC[C@](C)(O)CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000305127745 286685791 /nfs/dbraw/zinc/68/57/91/286685791.db2.gz LUBMQLQFESLRQN-BHYGNILZSA-N 1 3 314.539 2.733 20 0 DFADHO CCN(C(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358506403 158382675 /nfs/dbraw/zinc/38/26/75/158382675.db2.gz JYFLCXGVBXVYRK-INIZCTEOSA-N 1 3 315.461 2.504 20 0 DFADHO Cc1ccc(NC(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)c(C)c1 ZINC000358505449 158383584 /nfs/dbraw/zinc/38/35/84/158383584.db2.gz IFBWGAANRDKXNJ-MRXNPFEDSA-N 1 3 315.461 2.706 20 0 DFADHO C[C@H](NC(=O)[C@H](C)N1CCC(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000430636630 296801628 /nfs/dbraw/zinc/80/16/28/296801628.db2.gz YYFXQKQXBNUGBE-STQMWFEESA-N 1 3 323.868 2.576 20 0 DFADHO CC(C)n1ncc2cc(CN3CCC4(CC[NH2+]C4)CC3)cnc21 ZINC000430938539 296813521 /nfs/dbraw/zinc/81/35/21/296813521.db2.gz CDGUWBBGEMWXHC-UHFFFAOYSA-N 1 3 313.449 2.588 20 0 DFADHO CCOc1ccccc1OCCN1CCC2(CC[NH2+]C2)CC1 ZINC000431031927 296818811 /nfs/dbraw/zinc/81/88/11/296818811.db2.gz FTUFQEVTUMQOFL-UHFFFAOYSA-N 1 3 304.434 2.540 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000129016283 196012172 /nfs/dbraw/zinc/01/21/72/196012172.db2.gz UPTUBLZILRVHAD-FSZRXZPDSA-N 1 3 306.450 2.781 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000129016283 196012173 /nfs/dbraw/zinc/01/21/73/196012173.db2.gz UPTUBLZILRVHAD-FSZRXZPDSA-N 1 3 306.450 2.781 20 0 DFADHO CCN(CC)CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000131462331 196170662 /nfs/dbraw/zinc/17/06/62/196170662.db2.gz SZDBTQHVQTZINZ-HKUYNNGSSA-N 1 3 318.509 2.614 20 0 DFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000133093007 196310490 /nfs/dbraw/zinc/31/04/90/196310490.db2.gz LLQYDUHVQDMVGE-LSDHHAIUSA-N 1 3 306.425 2.977 20 0 DFADHO CCCC[N@H+](C)CC1CCN(Cc2c[nH]c(C(=O)OC)c2)CC1 ZINC000134166949 196367752 /nfs/dbraw/zinc/36/77/52/196367752.db2.gz JSPCCBLKKRZRSB-UHFFFAOYSA-N 1 3 321.465 2.745 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(Cc2c[nH]c(C(=O)OC)c2)CC1 ZINC000134166949 196367753 /nfs/dbraw/zinc/36/77/53/196367753.db2.gz JSPCCBLKKRZRSB-UHFFFAOYSA-N 1 3 321.465 2.745 20 0 DFADHO CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)cc1 ZINC000150991979 196613877 /nfs/dbraw/zinc/61/38/77/196613877.db2.gz XIISEIIANXWUDH-SFHVURJKSA-N 1 3 307.457 2.892 20 0 DFADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000151004909 196615443 /nfs/dbraw/zinc/61/54/43/196615443.db2.gz FLSVHGNAZRDDGG-KUHUBIRLSA-N 1 3 319.468 2.675 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCN[C@H]2CCCc3nn(C)cc32)C1 ZINC000358913649 287348148 /nfs/dbraw/zinc/34/81/48/287348148.db2.gz ITHXXKCDUWAVNH-WBVHZDCISA-N 1 3 304.482 2.899 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCN[C@H]2CCCc3nn(C)cc32)C1 ZINC000358913649 287348150 /nfs/dbraw/zinc/34/81/50/287348150.db2.gz ITHXXKCDUWAVNH-WBVHZDCISA-N 1 3 304.482 2.899 20 0 DFADHO CCOc1ccc(CN2CCC(OCC[NH+](C)C)CC2)c(C)c1 ZINC000667617560 543642439 /nfs/dbraw/zinc/64/24/39/543642439.db2.gz VNVKKRGPNUAFGQ-UHFFFAOYSA-N 1 3 320.477 2.936 20 0 DFADHO COC[C@H](C)Oc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000667502043 543619389 /nfs/dbraw/zinc/61/93/89/543619389.db2.gz ROCPLVUVMJCNBT-INIZCTEOSA-N 1 3 320.477 2.874 20 0 DFADHO CCC(CC)[C@H](CNC(=O)Nc1cccc(CN)c1)[NH+](C)C ZINC000667727789 543667715 /nfs/dbraw/zinc/66/77/15/543667715.db2.gz JMSQTUJFAGTUJN-INIZCTEOSA-N 1 3 306.454 2.633 20 0 DFADHO CCN(CCC[NH+](C)C)C[C@@H]1CCCO[C@H]1c1cnn(CC)c1 ZINC000668165693 543756419 /nfs/dbraw/zinc/75/64/19/543756419.db2.gz BWYZLMYYFHEWNG-FUHWJXTLSA-N 1 3 322.497 2.644 20 0 DFADHO C[C@@H]1CSC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000668512828 543816823 /nfs/dbraw/zinc/81/68/23/543816823.db2.gz QHXYQVAKZFYNAR-RHSMWYFYSA-N 1 3 305.491 2.635 20 0 DFADHO CC(C)[C@H](CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668738463 543857475 /nfs/dbraw/zinc/85/74/75/543857475.db2.gz DHUJVBNKFCQVNE-PMACEKPBSA-N 1 3 316.489 2.957 20 0 DFADHO CC(C)[C@H](CN1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668738463 543857476 /nfs/dbraw/zinc/85/74/76/543857476.db2.gz DHUJVBNKFCQVNE-PMACEKPBSA-N 1 3 316.489 2.957 20 0 DFADHO CC(C)C1CCC(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000668739174 543858246 /nfs/dbraw/zinc/85/82/46/543858246.db2.gz JZVZHCBYPNXJSZ-TVPLGVNVSA-N 1 3 308.510 2.980 20 0 DFADHO CC(C)C1CCC(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000668739174 543858247 /nfs/dbraw/zinc/85/82/47/543858247.db2.gz JZVZHCBYPNXJSZ-TVPLGVNVSA-N 1 3 308.510 2.980 20 0 DFADHO C[C@@H](Cc1ccccc1)CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784677 543866678 /nfs/dbraw/zinc/86/66/78/543866678.db2.gz HNFBHSBZEUMTIR-HKUYNNGSSA-N 1 3 304.478 2.908 20 0 DFADHO C[C@H](O)[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000668787511 543867534 /nfs/dbraw/zinc/86/75/34/543867534.db2.gz BAHSQMDNBFWHSM-KXBFYZLASA-N 1 3 311.429 2.762 20 0 DFADHO C[C@@H](O)[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000668787509 543867780 /nfs/dbraw/zinc/86/77/80/543867780.db2.gz BAHSQMDNBFWHSM-DNVCBOLYSA-N 1 3 311.429 2.762 20 0 DFADHO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000669618794 543976183 /nfs/dbraw/zinc/97/61/83/543976183.db2.gz PMTDOSAQLWKOJF-QFBILLFUSA-N 1 3 315.505 2.926 20 0 DFADHO COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000671109050 544056311 /nfs/dbraw/zinc/05/63/11/544056311.db2.gz UWXNYZZAGJTGEY-SJLPKXTDSA-N 1 3 304.478 2.954 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@H]2OCCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000671751997 544106373 /nfs/dbraw/zinc/10/63/73/544106373.db2.gz KAYDXVMETPQGPE-HCXYKTFWSA-N 1 3 300.446 2.763 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@H]2OCCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000671751997 544106377 /nfs/dbraw/zinc/10/63/77/544106377.db2.gz KAYDXVMETPQGPE-HCXYKTFWSA-N 1 3 300.446 2.763 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671760567 544108006 /nfs/dbraw/zinc/10/80/06/544108006.db2.gz HYZGDRNXGACSBP-ZDUSSCGKSA-N 1 3 321.421 2.542 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H](CO)c2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000672618909 544144089 /nfs/dbraw/zinc/14/40/89/544144089.db2.gz FLBCXEDYNNXXNV-LAVFITLUSA-N 1 3 322.880 2.878 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H](CO)c2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000672618909 544144090 /nfs/dbraw/zinc/14/40/90/544144090.db2.gz FLBCXEDYNNXXNV-LAVFITLUSA-N 1 3 322.880 2.878 20 0 DFADHO CC[C@H](CN1CCCC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674094525 544220004 /nfs/dbraw/zinc/22/00/04/544220004.db2.gz OXMCEDLOPLXDJU-DLBZAZTESA-N 1 3 321.509 2.632 20 0 DFADHO CC[C@H](CN1CCCC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674094525 544220006 /nfs/dbraw/zinc/22/00/06/544220006.db2.gz OXMCEDLOPLXDJU-DLBZAZTESA-N 1 3 321.509 2.632 20 0 DFADHO OC[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000297489438 227237406 /nfs/dbraw/zinc/23/74/06/227237406.db2.gz SZGZDQBUGWMTAE-QGZVFWFLSA-N 1 3 317.477 2.829 20 0 DFADHO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000675876213 544341308 /nfs/dbraw/zinc/34/13/08/544341308.db2.gz WLVPZJTYAGUGOK-GJZGRUSLSA-N 1 3 307.507 2.876 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4c3cccc4F)C2)CC1 ZINC000675871520 544341519 /nfs/dbraw/zinc/34/15/19/544341519.db2.gz FLSZNBCIFXBRQZ-AUUYWEPGSA-N 1 3 317.452 2.571 20 0 DFADHO CCc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)s1 ZINC000442878681 297209014 /nfs/dbraw/zinc/20/90/14/297209014.db2.gz UJXDKPSLBYLIHG-AWEZNQCLSA-N 1 3 309.523 2.987 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(CC2CC2)CC1 ZINC000676112693 544357239 /nfs/dbraw/zinc/35/72/39/544357239.db2.gz NVNHDHOFRTXHQV-QGZVFWFLSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H](CN(C)Cc1ccccc1)NC1CC[NH+](CC2CC2)CC1 ZINC000676112693 544357241 /nfs/dbraw/zinc/35/72/41/544357241.db2.gz NVNHDHOFRTXHQV-QGZVFWFLSA-N 1 3 315.505 2.971 20 0 DFADHO [NH3+]CC[C@@H]1CCCN(Cc2cnc(-c3ccccn3)s2)C1 ZINC000442917042 297211247 /nfs/dbraw/zinc/21/12/47/297211247.db2.gz BPCCCRJKBDRCCU-ZDUSSCGKSA-N 1 3 302.447 2.766 20 0 DFADHO CC[NH+](CC)CC1CCN(Cc2ccc(N(C)C)nc2)CC1 ZINC000678138961 544609432 /nfs/dbraw/zinc/60/94/32/544609432.db2.gz FPJHONGQLQTRFA-UHFFFAOYSA-N 1 3 304.482 2.701 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000678333585 544652266 /nfs/dbraw/zinc/65/22/66/544652266.db2.gz DRESFXLZYPSFRD-HKUYNNGSSA-N 1 3 318.461 2.628 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000678333585 544652269 /nfs/dbraw/zinc/65/22/69/544652269.db2.gz DRESFXLZYPSFRD-HKUYNNGSSA-N 1 3 318.461 2.628 20 0 DFADHO Cc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c(C)n1 ZINC000678426802 544671927 /nfs/dbraw/zinc/67/19/27/544671927.db2.gz IUHMHVQFAHEBEO-IAGOWNOFSA-N 1 3 317.477 2.850 20 0 DFADHO Cc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c(C)n1 ZINC000678598079 544699654 /nfs/dbraw/zinc/69/96/54/544699654.db2.gz AASSZXOJPIYFRC-IPELMVKDSA-N 1 3 317.477 2.727 20 0 DFADHO CC(C)[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccnc1 ZINC000678686347 544710797 /nfs/dbraw/zinc/71/07/97/544710797.db2.gz OXLVAIBYSKMEKS-HKUYNNGSSA-N 1 3 316.493 2.537 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCc3nccn3C2)CC1 ZINC000679025428 544770276 /nfs/dbraw/zinc/77/02/76/544770276.db2.gz SCMMXQQPRSZFPC-KBAYOESNSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCc3nccn3C2)CC1 ZINC000679025428 544770279 /nfs/dbraw/zinc/77/02/79/544770279.db2.gz SCMMXQQPRSZFPC-KBAYOESNSA-N 1 3 316.493 2.831 20 0 DFADHO OCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000679722212 544905474 /nfs/dbraw/zinc/90/54/74/544905474.db2.gz ZBWIKNPQLNXLKG-IPMKNSEASA-N 1 3 314.473 2.649 20 0 DFADHO CN(C)CCOC1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000679819985 544912497 /nfs/dbraw/zinc/91/24/97/544912497.db2.gz OENHHHWARBYPEQ-QGZVFWFLSA-N 1 3 316.489 2.834 20 0 DFADHO CO[C@@H]1CCCN(CC[C@@H](C)[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679954000 544933035 /nfs/dbraw/zinc/93/30/35/544933035.db2.gz OBHIYUBYBUGDBY-KZNAEPCWSA-N 1 3 312.498 2.767 20 0 DFADHO CO[C@@H]1CCCN(CC[C@@H](C)[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679954000 544933038 /nfs/dbraw/zinc/93/30/38/544933038.db2.gz OBHIYUBYBUGDBY-KZNAEPCWSA-N 1 3 312.498 2.767 20 0 DFADHO CO[C@@H]1CCCN([C@H](C)CC[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679954000 544933043 /nfs/dbraw/zinc/93/30/43/544933043.db2.gz OBHIYUBYBUGDBY-KZNAEPCWSA-N 1 3 312.498 2.767 20 0 DFADHO CO[C@@H]1CCCN([C@H](C)CC[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679954000 544933045 /nfs/dbraw/zinc/93/30/45/544933045.db2.gz OBHIYUBYBUGDBY-KZNAEPCWSA-N 1 3 312.498 2.767 20 0 DFADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@H]1CCCC1(C)C)c1ccccc1 ZINC000191852459 268016982 /nfs/dbraw/zinc/01/69/82/268016982.db2.gz MQKUJQSHVGOYTC-IRXDYDNUSA-N 1 3 317.477 2.574 20 0 DFADHO CN(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC000192590347 268042389 /nfs/dbraw/zinc/04/23/89/268042389.db2.gz YRQGTHBVDLXYKV-FBVQUNGASA-N 1 3 305.441 2.643 20 0 DFADHO CN(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC000192590347 268042392 /nfs/dbraw/zinc/04/23/92/268042392.db2.gz YRQGTHBVDLXYKV-FBVQUNGASA-N 1 3 305.441 2.643 20 0 DFADHO CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc(F)c1 ZINC000192590347 268042394 /nfs/dbraw/zinc/04/23/94/268042394.db2.gz YRQGTHBVDLXYKV-FBVQUNGASA-N 1 3 305.441 2.643 20 0 DFADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000237039145 268154076 /nfs/dbraw/zinc/15/40/76/268154076.db2.gz FKFUHUTYGVAARQ-QZTJIDSGSA-N 1 3 317.477 2.662 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000268801729 268186331 /nfs/dbraw/zinc/18/63/31/268186331.db2.gz DKUBJHRJNMPKCR-APWZRJJASA-N 1 3 312.461 2.735 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000268801729 268186332 /nfs/dbraw/zinc/18/63/32/268186332.db2.gz DKUBJHRJNMPKCR-APWZRJJASA-N 1 3 312.461 2.735 20 0 DFADHO C[N@@H+]1CC[C@@]2(CCN(CCCc3ccc4c(c3)CCO4)C2)C1 ZINC000292710736 268287391 /nfs/dbraw/zinc/28/73/91/268287391.db2.gz DEOGYUIACFMICQ-LJQANCHMSA-N 1 3 300.446 2.582 20 0 DFADHO C[N@H+]1CC[C@@]2(CCN(CCCc3ccc4c(c3)CCO4)C2)C1 ZINC000292710736 268287393 /nfs/dbraw/zinc/28/73/93/268287393.db2.gz DEOGYUIACFMICQ-LJQANCHMSA-N 1 3 300.446 2.582 20 0 DFADHO Cc1cc2ncc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)c(C)n2n1 ZINC000295919185 268297446 /nfs/dbraw/zinc/29/74/46/268297446.db2.gz JUROVPPRFJRRSU-WWTUQBGBSA-N 1 3 313.449 2.622 20 0 DFADHO CC(C)[N@@H+]1CC[C@@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000310005992 268337161 /nfs/dbraw/zinc/33/71/61/268337161.db2.gz HQBTVLNTTJLQBI-AWEZNQCLSA-N 1 3 313.486 2.610 20 0 DFADHO CC(C)[N@H+]1CC[C@@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000310005992 268337162 /nfs/dbraw/zinc/33/71/62/268337162.db2.gz HQBTVLNTTJLQBI-AWEZNQCLSA-N 1 3 313.486 2.610 20 0 DFADHO CC(C)N1CC[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000310005992 268337163 /nfs/dbraw/zinc/33/71/63/268337163.db2.gz HQBTVLNTTJLQBI-AWEZNQCLSA-N 1 3 313.486 2.610 20 0 DFADHO C[C@H](N[C@@H]1COCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312993087 268337832 /nfs/dbraw/zinc/33/78/32/268337832.db2.gz YVFDSTWNYWZPFJ-RYQLBKOJSA-N 1 3 302.462 2.912 20 0 DFADHO C[C@H](N[C@@H]1COCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312993087 268337834 /nfs/dbraw/zinc/33/78/34/268337834.db2.gz YVFDSTWNYWZPFJ-RYQLBKOJSA-N 1 3 302.462 2.912 20 0 DFADHO CCOC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000321487190 268348157 /nfs/dbraw/zinc/34/81/57/268348157.db2.gz XYFXGBPCZPOPDN-IXDOHACOSA-N 1 3 323.481 2.508 20 0 DFADHO C[C@H]1C[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)CC(C)(C)C1 ZINC000333554742 268404154 /nfs/dbraw/zinc/40/41/54/268404154.db2.gz JZHWLSUMCLBIPY-JSGCOSHPSA-N 1 3 305.470 2.576 20 0 DFADHO CC1(C)Cc2cc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)ccc2O1 ZINC000103340238 425943441 /nfs/dbraw/zinc/94/34/41/425943441.db2.gz DTIWNRPHYVGICL-HNNXBMFYSA-N 1 3 300.446 2.974 20 0 DFADHO Cc1cnn(CCCCC[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000158832401 425947876 /nfs/dbraw/zinc/94/78/76/425947876.db2.gz OUPWMACZPLCEOV-QZTJIDSGSA-N 1 3 304.482 2.778 20 0 DFADHO Cc1cnn(CCCCC[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000158832401 425947877 /nfs/dbraw/zinc/94/78/77/425947877.db2.gz OUPWMACZPLCEOV-QZTJIDSGSA-N 1 3 304.482 2.778 20 0 DFADHO CC[NH+]1CCN(Cc2ccccc2CNCc2ccco2)CC1 ZINC000069708699 425953802 /nfs/dbraw/zinc/95/38/02/425953802.db2.gz GPNCJFLWOHLAHR-UHFFFAOYSA-N 1 3 313.445 2.707 20 0 DFADHO C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(C[NH+](C)C)cc1 ZINC000109075853 426027341 /nfs/dbraw/zinc/02/73/41/426027341.db2.gz RURGWFWJMGFQNX-CQSZACIVSA-N 1 3 306.450 2.958 20 0 DFADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000109075853 426027344 /nfs/dbraw/zinc/02/73/44/426027344.db2.gz RURGWFWJMGFQNX-CQSZACIVSA-N 1 3 306.450 2.958 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C(C)(C)C ZINC000126729097 426033877 /nfs/dbraw/zinc/03/38/77/426033877.db2.gz IKFWUHAPTRGOSN-INIZCTEOSA-N 1 3 303.494 2.958 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000161872721 426043659 /nfs/dbraw/zinc/04/36/59/426043659.db2.gz QAMNNOVQIGJWBA-IIAWOOMASA-N 1 3 304.434 2.666 20 0 DFADHO Cc1nccn1CCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000162039520 426049399 /nfs/dbraw/zinc/04/93/99/426049399.db2.gz OZPLIUNEWKJWSY-SFHVURJKSA-N 1 3 304.482 2.780 20 0 DFADHO Cc1nccn1CCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000162039520 426049401 /nfs/dbraw/zinc/04/94/01/426049401.db2.gz OZPLIUNEWKJWSY-SFHVURJKSA-N 1 3 304.482 2.780 20 0 DFADHO Cc1nccn1CCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000162039520 426049403 /nfs/dbraw/zinc/04/94/03/426049403.db2.gz OZPLIUNEWKJWSY-SFHVURJKSA-N 1 3 304.482 2.780 20 0 DFADHO COCCNc1ccc(CN[C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000127086767 426050903 /nfs/dbraw/zinc/05/09/03/426050903.db2.gz HMBLZWLUMOKWCD-VKJFTORMSA-N 1 3 305.466 2.563 20 0 DFADHO COCCNc1ccc(CN[C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000127086767 426050905 /nfs/dbraw/zinc/05/09/05/426050905.db2.gz HMBLZWLUMOKWCD-VKJFTORMSA-N 1 3 305.466 2.563 20 0 DFADHO CC[C@](C)(O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000162211485 426056588 /nfs/dbraw/zinc/05/65/88/426056588.db2.gz GLRFRCWAFINZOG-SFHVURJKSA-N 1 3 305.466 2.781 20 0 DFADHO CC[C@](C)(O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000162211485 426056593 /nfs/dbraw/zinc/05/65/93/426056593.db2.gz GLRFRCWAFINZOG-SFHVURJKSA-N 1 3 305.466 2.781 20 0 DFADHO COc1cc([C@H](C)[NH2+]CC(C)(C)CN(C)C)cc(OC)c1OC ZINC000127251864 426058706 /nfs/dbraw/zinc/05/87/06/426058706.db2.gz ITKQGSGWXQRMOV-ZDUSSCGKSA-N 1 3 324.465 2.951 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2cnn(C)c2)CC1 ZINC000127931568 426093609 /nfs/dbraw/zinc/09/36/09/426093609.db2.gz RIXXJNZZBGCDJK-QAPCUYQASA-N 1 3 304.482 2.595 20 0 DFADHO CCOC(=O)CCCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109790 426100818 /nfs/dbraw/zinc/10/08/18/426100818.db2.gz BMSZGLKTDIWQEY-GOSISDBHSA-N 1 3 318.461 2.784 20 0 DFADHO CCOC(=O)CCCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109790 426100821 /nfs/dbraw/zinc/10/08/21/426100821.db2.gz BMSZGLKTDIWQEY-GOSISDBHSA-N 1 3 318.461 2.784 20 0 DFADHO Cc1cc(C)cc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)c1 ZINC000128237251 426108011 /nfs/dbraw/zinc/10/80/11/426108011.db2.gz TZIPEARWXZIEHI-SFHVURJKSA-N 1 3 303.494 2.982 20 0 DFADHO Cc1ccc(CC[C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128240967 426108755 /nfs/dbraw/zinc/10/87/55/426108755.db2.gz AUWDJYZNUBUHPE-LJQANCHMSA-N 1 3 317.521 2.933 20 0 DFADHO C[C@@H](CCc1ccccc1F)[NH2+]CCCN1CCCN(C)CC1 ZINC000128401158 426115171 /nfs/dbraw/zinc/11/51/71/426115171.db2.gz IGFFCQLLNFCXPN-KRWDZBQOSA-N 1 3 321.484 2.764 20 0 DFADHO CC(C)[C@@H](N)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000164557930 426115747 /nfs/dbraw/zinc/11/57/47/426115747.db2.gz PBTTVAIHPLLMGK-QGZVFWFLSA-N 1 3 303.450 2.840 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCCOc2ccccc21 ZINC000166015573 426125686 /nfs/dbraw/zinc/12/56/86/426125686.db2.gz OYDCOFAXYKVELU-NVXWUHKLSA-N 1 3 306.450 2.847 20 0 DFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2(N)CCCCC2)c1 ZINC000166000529 426126206 /nfs/dbraw/zinc/12/62/06/426126206.db2.gz MGQUBINNFXRUSZ-UHFFFAOYSA-N 1 3 317.477 2.805 20 0 DFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2(N)CCCCC2)c1 ZINC000166000529 426126210 /nfs/dbraw/zinc/12/62/10/426126210.db2.gz MGQUBINNFXRUSZ-UHFFFAOYSA-N 1 3 317.477 2.805 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130482438 426160374 /nfs/dbraw/zinc/16/03/74/426160374.db2.gz YAROHGIQCMSESF-UXHICEINSA-N 1 3 315.505 2.940 20 0 DFADHO C[C@@H]([NH2+]CCc1cccnc1)c1ccc(OCCN(C)C)cc1 ZINC000133452701 426177820 /nfs/dbraw/zinc/17/78/20/426177820.db2.gz YLXHIHUCDZCYIW-MRXNPFEDSA-N 1 3 313.445 2.915 20 0 DFADHO CN(Cc1ccc(Br)cn1)CC1CC[NH+](C)CC1 ZINC000134891218 426198474 /nfs/dbraw/zinc/19/84/74/426198474.db2.gz IXZNSIOINDKBJO-UHFFFAOYSA-N 1 3 312.255 2.618 20 0 DFADHO CN1CC[NH+]([C@@H]2CCCCN(C/C=C/c3ccccc3)C2)CC1 ZINC000136067517 426234161 /nfs/dbraw/zinc/23/41/61/426234161.db2.gz KLMSETJHJFVNKR-JRMCHAMMSA-N 1 3 313.489 2.802 20 0 DFADHO Cc1cccc(C)c1NC(=O)CCCN1CC[C@@H](C[NH+](C)C)C1 ZINC000137413728 426253723 /nfs/dbraw/zinc/25/37/23/426253723.db2.gz CJHPJASMVYGGDB-KRWDZBQOSA-N 1 3 317.477 2.906 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1ccco1 ZINC000119086220 426260292 /nfs/dbraw/zinc/26/02/92/426260292.db2.gz GDBNEYIVUFOLKX-MWDXBVQZSA-N 1 3 307.482 2.981 20 0 DFADHO CCN(CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccco1 ZINC000119086220 426260295 /nfs/dbraw/zinc/26/02/95/426260295.db2.gz GDBNEYIVUFOLKX-MWDXBVQZSA-N 1 3 307.482 2.981 20 0 DFADHO CCN(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C)c1ccco1 ZINC000119086220 426260297 /nfs/dbraw/zinc/26/02/97/426260297.db2.gz GDBNEYIVUFOLKX-MWDXBVQZSA-N 1 3 307.482 2.981 20 0 DFADHO Cc1cnn(CCCCCN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150845120 426263912 /nfs/dbraw/zinc/26/39/12/426263912.db2.gz PCDVQRFKVGGSCB-SFHVURJKSA-N 1 3 304.482 2.780 20 0 DFADHO Cc1cnn(CCCCC[N@@H+]2CC[C@@H](CN3CCCC3)C2)c1 ZINC000150845120 426263917 /nfs/dbraw/zinc/26/39/17/426263917.db2.gz PCDVQRFKVGGSCB-SFHVURJKSA-N 1 3 304.482 2.780 20 0 DFADHO Cc1cnn(CCCCC[N@H+]2CC[C@@H](CN3CCCC3)C2)c1 ZINC000150845120 426263919 /nfs/dbraw/zinc/26/39/19/426263919.db2.gz PCDVQRFKVGGSCB-SFHVURJKSA-N 1 3 304.482 2.780 20 0 DFADHO CCc1nc(C)c([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)s1 ZINC000150949314 426269576 /nfs/dbraw/zinc/26/95/76/426269576.db2.gz DELNAHGICZPDLK-CYBMUJFWSA-N 1 3 324.538 2.691 20 0 DFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175188523 426285906 /nfs/dbraw/zinc/28/59/06/426285906.db2.gz KMXGPMPEDGXQEU-SFHVURJKSA-N 1 3 321.509 2.584 20 0 DFADHO Cc1cccc(NC[C@@H]2CC[N@@H+](CCN3CCC(C)CC3)C2)n1 ZINC000153677244 426398553 /nfs/dbraw/zinc/39/85/53/426398553.db2.gz LKSHUBSBGVXTJZ-SFHVURJKSA-N 1 3 316.493 2.856 20 0 DFADHO Cc1cccc(NC[C@@H]2CC[N@H+](CCN3CCC(C)CC3)C2)n1 ZINC000153677244 426398557 /nfs/dbraw/zinc/39/85/57/426398557.db2.gz LKSHUBSBGVXTJZ-SFHVURJKSA-N 1 3 316.493 2.856 20 0 DFADHO CC[C@H]1CN(CCC(=O)Nc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000122902581 426401943 /nfs/dbraw/zinc/40/19/43/426401943.db2.gz WKBNPGFBEJZMNT-WFASDCNBSA-N 1 3 309.841 2.728 20 0 DFADHO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1cccc(OCCN(C)C)c1 ZINC000152872216 426358931 /nfs/dbraw/zinc/35/89/31/426358931.db2.gz ODWZVIGGCGQRSF-RKVPGOIHSA-N 1 3 306.450 2.845 20 0 DFADHO C[NH+](C)CCCC1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000123392288 426431072 /nfs/dbraw/zinc/43/10/72/426431072.db2.gz MCJRUHLSRHGYKP-GOSISDBHSA-N 1 3 308.441 2.913 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000154282945 426433863 /nfs/dbraw/zinc/43/38/63/426433863.db2.gz QZRSOVXZNRGLRN-CQSZACIVSA-N 1 3 311.420 2.643 20 0 DFADHO COc1cccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000177351969 426470600 /nfs/dbraw/zinc/47/06/00/426470600.db2.gz QPAMSPYIDCSVAJ-JKSUJKDBSA-N 1 3 318.461 2.847 20 0 DFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc(Cl)c1 ZINC000177376807 426473765 /nfs/dbraw/zinc/47/37/65/426473765.db2.gz MJXWPCIMSQNLNJ-UHFFFAOYSA-N 1 3 309.885 2.798 20 0 DFADHO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCC(C)CC2)cc1 ZINC000098144100 426480188 /nfs/dbraw/zinc/48/01/88/426480188.db2.gz NYMHQTBGORYEAH-AEFFLSMTSA-N 1 3 320.477 2.829 20 0 DFADHO CC(=O)Nc1cccc(CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000101726957 426486069 /nfs/dbraw/zinc/48/60/69/426486069.db2.gz YBQZCGXOXIEFTM-UHFFFAOYSA-N 1 3 303.450 2.809 20 0 DFADHO C[C@@H]([NH2+]CCCn1ccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272377013 426510491 /nfs/dbraw/zinc/51/04/91/426510491.db2.gz BLYZKIICOGYAQU-IEBWSBKVSA-N 1 3 312.461 2.773 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272392644 426515475 /nfs/dbraw/zinc/51/54/75/426515475.db2.gz YCOUZKAIWSPOPQ-SOLBZPMBSA-N 1 3 312.461 2.981 20 0 DFADHO OC[C@@H](Cc1ccccc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000186430803 426524698 /nfs/dbraw/zinc/52/46/98/426524698.db2.gz WHVCDCUGNHDOIF-LJQANCHMSA-N 1 3 316.489 2.977 20 0 DFADHO C[C@H]1C[C@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@@H+]1C ZINC000177936919 426543416 /nfs/dbraw/zinc/54/34/16/426543416.db2.gz YHJZYVFFDZJPND-URKNILKWSA-N 1 3 316.445 2.981 20 0 DFADHO C[C@H]1C[C@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@H+]1C ZINC000177936919 426543418 /nfs/dbraw/zinc/54/34/18/426543418.db2.gz YHJZYVFFDZJPND-URKNILKWSA-N 1 3 316.445 2.981 20 0 DFADHO C[C@H]1C[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CCN1C ZINC000177968738 426547651 /nfs/dbraw/zinc/54/76/51/426547651.db2.gz UUUNHBTVGJRMKJ-FXAWDEMLSA-N 1 3 315.505 2.766 20 0 DFADHO CCO[C@H]1C[C@H]([NH2+]CCCN2CCC(C)CC2)C12CCOCC2 ZINC000186214475 426494592 /nfs/dbraw/zinc/49/45/92/426494592.db2.gz ZLGWKTCMXSJZTN-ROUUACIJSA-N 1 3 324.509 2.672 20 0 DFADHO CCO[C@H]1C[C@H](NCCC[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000186214475 426494593 /nfs/dbraw/zinc/49/45/93/426494593.db2.gz ZLGWKTCMXSJZTN-ROUUACIJSA-N 1 3 324.509 2.672 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195137452 426501824 /nfs/dbraw/zinc/50/18/24/426501824.db2.gz CZNOMDNXQHVUSZ-IZBJGVDFSA-N 1 3 315.505 2.827 20 0 DFADHO C[C@H]1C[C@H]([NH2+]CCCN2CCCN(C)CC2)c2ccccc21 ZINC000289102565 426584240 /nfs/dbraw/zinc/58/42/40/426584240.db2.gz CFYAMWIOEXRXSI-LPHOPBHVSA-N 1 3 301.478 2.852 20 0 DFADHO O[C@H](C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000280569530 426602379 /nfs/dbraw/zinc/60/23/79/426602379.db2.gz VMQQARKAHFPKGH-QHAWAJNXSA-N 1 3 322.452 2.784 20 0 DFADHO O[C@H](C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000280569530 426602383 /nfs/dbraw/zinc/60/23/83/426602383.db2.gz VMQQARKAHFPKGH-QHAWAJNXSA-N 1 3 322.452 2.784 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)CCN1C ZINC000186878361 426603308 /nfs/dbraw/zinc/60/33/08/426603308.db2.gz WXGHQJMIFOEYKC-VDGAXYAQSA-N 1 3 315.505 2.969 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCc2c1ccc(OC)c2F ZINC000289272079 426616639 /nfs/dbraw/zinc/61/66/39/426616639.db2.gz PIMYAAXIKFPEPL-BBRMVZONSA-N 1 3 324.440 2.768 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCc2c1ccc(OC)c2F ZINC000289272088 426618083 /nfs/dbraw/zinc/61/80/83/426618083.db2.gz PIMYAAXIKFPEPL-XJKSGUPXSA-N 1 3 324.440 2.768 20 0 DFADHO CN1CCCN(CCC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280820487 426664371 /nfs/dbraw/zinc/66/43/71/426664371.db2.gz KAARZWNUMPHQIY-LJQANCHMSA-N 1 3 316.493 2.540 20 0 DFADHO CC(C)(C)[C@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000236709146 426678310 /nfs/dbraw/zinc/67/83/10/426678310.db2.gz GNTUYQAGBQAJDL-MRXNPFEDSA-N 1 3 303.450 2.984 20 0 DFADHO C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)[C@H](N)c1ccccc1 ZINC000236701662 426678346 /nfs/dbraw/zinc/67/83/46/426678346.db2.gz JNPQVFGYQCRZIA-AEFFLSMTSA-N 1 3 317.477 2.561 20 0 DFADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cccc(CN2CCCC2)c1 ZINC000236709482 426679449 /nfs/dbraw/zinc/67/94/49/426679449.db2.gz OSXYMZCYFGZOHV-IBGZPJMESA-N 1 3 317.477 2.776 20 0 DFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H](N)C(C)C)c1 ZINC000236726781 426681186 /nfs/dbraw/zinc/68/11/86/426681186.db2.gz IAZHTVNOFWRFOJ-SFHVURJKSA-N 1 3 319.493 2.908 20 0 DFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H](N)C(C)C)c1 ZINC000236726781 426681189 /nfs/dbraw/zinc/68/11/89/426681189.db2.gz IAZHTVNOFWRFOJ-SFHVURJKSA-N 1 3 319.493 2.908 20 0 DFADHO CCCC[C@H](C[NH3+])NC(=O)c1oc2ccccc2c1CN(C)C ZINC000236739648 426682123 /nfs/dbraw/zinc/68/21/23/426682123.db2.gz RLACIUZLHIXOKK-CYBMUJFWSA-N 1 3 317.433 2.742 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000178414468 426624088 /nfs/dbraw/zinc/62/40/88/426624088.db2.gz PBXNZFMFEPSEFS-MRXNPFEDSA-N 1 3 315.461 2.950 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000178411618 426624564 /nfs/dbraw/zinc/62/45/64/426624564.db2.gz GTESIJVMIBZILV-AWEZNQCLSA-N 1 3 301.434 2.708 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)C1 ZINC000236900772 426686093 /nfs/dbraw/zinc/68/60/93/426686093.db2.gz SGGNMIWEAQJSHN-XYJFISCASA-N 1 3 317.477 2.513 20 0 DFADHO CN(C[C@H](O)C(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290192387 426714181 /nfs/dbraw/zinc/71/41/81/426714181.db2.gz GASRYCWVAYZLMQ-MSOLQXFVSA-N 1 3 304.478 2.847 20 0 DFADHO CN(C[C@H](O)C(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290192387 426714183 /nfs/dbraw/zinc/71/41/83/426714183.db2.gz GASRYCWVAYZLMQ-MSOLQXFVSA-N 1 3 304.478 2.847 20 0 DFADHO CC[C@H](C(=O)N[C@H](CN(C)C)c1ccccc1)[NH+](CC)CC ZINC000274166417 426719786 /nfs/dbraw/zinc/71/97/86/426719786.db2.gz NACHQDDISFEPJA-IAGOWNOFSA-N 1 3 305.466 2.526 20 0 DFADHO CC(=O)Nc1ccccc1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290445971 426766981 /nfs/dbraw/zinc/76/69/81/426766981.db2.gz MCIIIAAPVCDROP-QGZVFWFLSA-N 1 3 315.461 2.809 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CNCc1nn(CC)c2ccccc12 ZINC000274477744 426776810 /nfs/dbraw/zinc/77/68/10/426776810.db2.gz XBNXWEQCJDYLEU-OAHLLOKOSA-N 1 3 318.465 2.503 20 0 DFADHO COC(=O)C1(C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000188676303 426777765 /nfs/dbraw/zinc/77/77/65/426777765.db2.gz GYKBEFPXLZPAKZ-HOCLYGCPSA-N 1 3 308.466 2.572 20 0 DFADHO Clc1ccc(CN2CCN(CC3CC[NH2+]CC3)CC2)s1 ZINC000178977837 426729283 /nfs/dbraw/zinc/72/92/83/426729283.db2.gz QOTFTMLYPCMIPE-UHFFFAOYSA-N 1 3 313.898 2.519 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+][C@@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000290288733 426732553 /nfs/dbraw/zinc/73/25/53/426732553.db2.gz MQVDOLPGWFWASM-WJFTUGDTSA-N 1 3 300.446 2.666 20 0 DFADHO COc1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000290298784 426737199 /nfs/dbraw/zinc/73/71/99/426737199.db2.gz BASPHVWJFDFMSV-QGZVFWFLSA-N 1 3 318.461 2.868 20 0 DFADHO CC(C)[NH+](CCCNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)C(C)C ZINC000245414898 426737632 /nfs/dbraw/zinc/73/76/32/426737632.db2.gz CUXOCBVJEXLEFE-IXDOHACOSA-N 1 3 311.514 2.873 20 0 DFADHO Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@H]3CCCN3C)C2)n1 ZINC000245575643 426753790 /nfs/dbraw/zinc/75/37/90/426753790.db2.gz AXDYKRBAGZXKHG-DLBZAZTESA-N 1 3 302.466 2.608 20 0 DFADHO Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@H]3CCCN3C)C2)n1 ZINC000245575643 426753795 /nfs/dbraw/zinc/75/37/95/426753795.db2.gz AXDYKRBAGZXKHG-DLBZAZTESA-N 1 3 302.466 2.608 20 0 DFADHO Cc1cccc(NC[C@@H]2CCN(CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000245575643 426753800 /nfs/dbraw/zinc/75/38/00/426753800.db2.gz AXDYKRBAGZXKHG-DLBZAZTESA-N 1 3 302.466 2.608 20 0 DFADHO Cc1cccc(NC[C@@H]2CCN(CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000245575643 426753802 /nfs/dbraw/zinc/75/38/02/426753802.db2.gz AXDYKRBAGZXKHG-DLBZAZTESA-N 1 3 302.466 2.608 20 0 DFADHO C[NH+]1CCC(N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)CC1 ZINC000290630871 426808696 /nfs/dbraw/zinc/80/86/96/426808696.db2.gz XZKARSKNAJSSNI-OALUTQOASA-N 1 3 310.445 2.796 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C1 ZINC000246375440 426826890 /nfs/dbraw/zinc/82/68/90/426826890.db2.gz HWPCHTKNVOMSSS-ZJPYXAASSA-N 1 3 323.525 2.732 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C1 ZINC000246375440 426826893 /nfs/dbraw/zinc/82/68/93/426826893.db2.gz HWPCHTKNVOMSSS-ZJPYXAASSA-N 1 3 323.525 2.732 20 0 DFADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1F ZINC000282125048 426833472 /nfs/dbraw/zinc/83/34/72/426833472.db2.gz AZVDVZRDYDMLIU-QGZVFWFLSA-N 1 3 307.457 2.892 20 0 DFADHO CC[C@H](COC)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180166620 426841317 /nfs/dbraw/zinc/84/13/17/426841317.db2.gz XCVPNHCBSZQBKS-ZSYWTGECSA-N 1 3 302.462 2.912 20 0 DFADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563551 426792545 /nfs/dbraw/zinc/79/25/45/426792545.db2.gz SLZXGORMCGBFLE-OALUTQOASA-N 1 3 314.473 2.970 20 0 DFADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563551 426792550 /nfs/dbraw/zinc/79/25/50/426792550.db2.gz SLZXGORMCGBFLE-OALUTQOASA-N 1 3 314.473 2.970 20 0 DFADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572589 426794860 /nfs/dbraw/zinc/79/48/60/426794860.db2.gz TYLIZTDYLGBNII-YJBOKZPZSA-N 1 3 311.429 2.857 20 0 DFADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572589 426794862 /nfs/dbraw/zinc/79/48/62/426794862.db2.gz TYLIZTDYLGBNII-YJBOKZPZSA-N 1 3 311.429 2.857 20 0 DFADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572589 426794865 /nfs/dbraw/zinc/79/48/65/426794865.db2.gz TYLIZTDYLGBNII-YJBOKZPZSA-N 1 3 311.429 2.857 20 0 DFADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572589 426794870 /nfs/dbraw/zinc/79/48/70/426794870.db2.gz TYLIZTDYLGBNII-YJBOKZPZSA-N 1 3 311.429 2.857 20 0 DFADHO C[C@H](CNC[C@H](O)C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000295342950 426917563 /nfs/dbraw/zinc/91/75/63/426917563.db2.gz BJJDMDQPAFYXSD-DYVFJYSZSA-N 1 3 312.404 2.505 20 0 DFADHO c1ccc(C[N@H+]2CC[C@@H]3CN(C[C@H]4CCCO4)C[C@H]3C2)cc1 ZINC000309954996 426918198 /nfs/dbraw/zinc/91/81/98/426918198.db2.gz IEZZAPMJLTYDHO-GUDVDZBRSA-N 1 3 300.446 2.619 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(C[C@H]4CCCO4)C[C@H]3C2)cc1 ZINC000309954996 426918202 /nfs/dbraw/zinc/91/82/02/426918202.db2.gz IEZZAPMJLTYDHO-GUDVDZBRSA-N 1 3 300.446 2.619 20 0 DFADHO CC(C)[C@H](Cc1ccccc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282232569 426861374 /nfs/dbraw/zinc/86/13/74/426861374.db2.gz IPERDXPNHRLMOK-IBGZPJMESA-N 1 3 317.521 2.869 20 0 DFADHO CCOCc1cc(C[N@H+](C)C[C@@H]2CCN(C)C2)ccc1OC ZINC000275652445 426886825 /nfs/dbraw/zinc/88/68/25/426886825.db2.gz KRBAXYZRQKCINU-MRXNPFEDSA-N 1 3 306.450 2.615 20 0 DFADHO CCOCc1cc(C[N@@H+](C)C[C@@H]2CCN(C)C2)ccc1OC ZINC000275652445 426886832 /nfs/dbraw/zinc/88/68/32/426886832.db2.gz KRBAXYZRQKCINU-MRXNPFEDSA-N 1 3 306.450 2.615 20 0 DFADHO COCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000282341531 426887591 /nfs/dbraw/zinc/88/75/91/426887591.db2.gz VHYQCHJVFCOOCS-IEBWSBKVSA-N 1 3 320.477 2.922 20 0 DFADHO CN(C)C1(C[NH2+]C2CCN(CCc3ccccc3)CC2)CCC1 ZINC000275657427 426888342 /nfs/dbraw/zinc/88/83/42/426888342.db2.gz FMTQGHVHEBRZKZ-UHFFFAOYSA-N 1 3 315.505 2.767 20 0 DFADHO CC(C)OC1CC([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000189556912 426889834 /nfs/dbraw/zinc/88/98/34/426889834.db2.gz OZMQBJXJUFZCCI-UHFFFAOYSA-N 1 3 303.450 2.844 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N(C)C)CCC1 ZINC000275685221 426896898 /nfs/dbraw/zinc/89/68/98/426896898.db2.gz IQTQWEOXYQMIFF-HKUYNNGSSA-N 1 3 315.505 2.971 20 0 DFADHO CCOc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282417678 426908157 /nfs/dbraw/zinc/90/81/57/426908157.db2.gz SKAYTHRUWYRZFJ-MRXNPFEDSA-N 1 3 319.493 2.762 20 0 DFADHO CCc1cccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000189774987 426946283 /nfs/dbraw/zinc/94/62/83/426946283.db2.gz VIAUAHPRHYFGIB-UHFFFAOYSA-N 1 3 303.494 2.707 20 0 DFADHO CCc1cccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000189774987 426946288 /nfs/dbraw/zinc/94/62/88/426946288.db2.gz VIAUAHPRHYFGIB-UHFFFAOYSA-N 1 3 303.494 2.707 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000316752928 426948343 /nfs/dbraw/zinc/94/83/43/426948343.db2.gz FENQYDLVHXCORH-IAGOWNOFSA-N 1 3 305.466 2.559 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)CCN1C ZINC000247971991 426971430 /nfs/dbraw/zinc/97/14/30/426971430.db2.gz JRHBUOZBHDNCLJ-BHIYHBOVSA-N 1 3 301.478 2.896 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)CN(C)C ZINC000291804129 426992423 /nfs/dbraw/zinc/99/24/23/426992423.db2.gz XOJKIZCGURWZFA-ZIFCJYIRSA-N 1 3 303.494 2.827 20 0 DFADHO CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248404747 426996314 /nfs/dbraw/zinc/99/63/14/426996314.db2.gz QPYJNPYVUKCFQP-MTQWCTHYSA-N 1 3 316.489 2.894 20 0 DFADHO CC(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248406186 426996454 /nfs/dbraw/zinc/99/64/54/426996454.db2.gz BRGYAFVFNIOCQH-YSTOQKLRSA-N 1 3 316.489 2.894 20 0 DFADHO C[C@H](CCNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000248441888 426999987 /nfs/dbraw/zinc/99/99/87/426999987.db2.gz AFMJVVWTXVHKMX-WCXIOVBPSA-N 1 3 309.498 2.628 20 0 DFADHO CN1CCC[C@H]2C[N@H+](CCCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000248435404 427001279 /nfs/dbraw/zinc/00/12/79/427001279.db2.gz ACUPIHGVBNNMEG-JKSUJKDBSA-N 1 3 310.482 2.915 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](CCCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000248435404 427001281 /nfs/dbraw/zinc/00/12/81/427001281.db2.gz ACUPIHGVBNNMEG-JKSUJKDBSA-N 1 3 310.482 2.915 20 0 DFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248500770 427007646 /nfs/dbraw/zinc/00/76/46/427007646.db2.gz SSSOOKCXDAVXFA-IRXDYDNUSA-N 1 3 309.498 2.630 20 0 DFADHO CN1CCC[C@@H]2C[N@H+](CCCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000182028171 427008141 /nfs/dbraw/zinc/00/81/41/427008141.db2.gz ACUPIHGVBNNMEG-HZPDHXFCSA-N 1 3 310.482 2.915 20 0 DFADHO CN1CCC[C@@H]2C[N@@H+](CCCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000182028171 427008150 /nfs/dbraw/zinc/00/81/50/427008150.db2.gz ACUPIHGVBNNMEG-HZPDHXFCSA-N 1 3 310.482 2.915 20 0 DFADHO CN1CCC[C@H]2C[N@H+](CCCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000190055864 427010286 /nfs/dbraw/zinc/01/02/86/427010286.db2.gz UZXXOBSNONMZNC-OALUTQOASA-N 1 3 314.473 2.970 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000190055864 427010291 /nfs/dbraw/zinc/01/02/91/427010291.db2.gz UZXXOBSNONMZNC-OALUTQOASA-N 1 3 314.473 2.970 20 0 DFADHO C[N@@H+]1CCC[C@H]2CN(CCCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000190055864 427010302 /nfs/dbraw/zinc/01/03/02/427010302.db2.gz UZXXOBSNONMZNC-OALUTQOASA-N 1 3 314.473 2.970 20 0 DFADHO C[N@H+]1CCC[C@H]2CN(CCCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000190055864 427010306 /nfs/dbraw/zinc/01/03/06/427010306.db2.gz UZXXOBSNONMZNC-OALUTQOASA-N 1 3 314.473 2.970 20 0 DFADHO CCCN[C@H](C)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000296000847 427040294 /nfs/dbraw/zinc/04/02/94/427040294.db2.gz KVZHXVMZJCKILU-CQSZACIVSA-N 1 3 316.449 2.530 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000292034490 427064732 /nfs/dbraw/zinc/06/47/32/427064732.db2.gz HFXJWOYVUYVPEB-WBVHZDCISA-N 1 3 317.477 2.764 20 0 DFADHO C[C@@H]1CSCCN(C/C=C/C[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000249132833 427092111 /nfs/dbraw/zinc/09/21/11/427092111.db2.gz YFNVXGVTBIKNBF-PIGHNIFASA-N 1 3 314.564 2.912 20 0 DFADHO C[C@@H]1CSCCN(C/C=C/C[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000249132833 427092118 /nfs/dbraw/zinc/09/21/18/427092118.db2.gz YFNVXGVTBIKNBF-PIGHNIFASA-N 1 3 314.564 2.912 20 0 DFADHO CC(C)NC(=O)CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268736311 427105547 /nfs/dbraw/zinc/10/55/47/427105547.db2.gz BQYWMOHNGTVPMM-AEFFLSMTSA-N 1 3 317.477 2.544 20 0 DFADHO CC(C)NC(=O)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268736311 427105553 /nfs/dbraw/zinc/10/55/53/427105553.db2.gz BQYWMOHNGTVPMM-AEFFLSMTSA-N 1 3 317.477 2.544 20 0 DFADHO CCN(CC)CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268734917 427107166 /nfs/dbraw/zinc/10/71/66/427107166.db2.gz VHTOMYASTFDZLX-MJGOQNOKSA-N 1 3 303.494 2.828 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)N(C)C)c1 ZINC000249319649 427107371 /nfs/dbraw/zinc/10/73/71/427107371.db2.gz PVHPHNNCYTUWBV-SFUIVIKGSA-N 1 3 319.493 2.616 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)c1 ZINC000249319649 427107375 /nfs/dbraw/zinc/10/73/75/427107375.db2.gz PVHPHNNCYTUWBV-SFUIVIKGSA-N 1 3 319.493 2.616 20 0 DFADHO COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)N(C)C)c1 ZINC000249319649 427107382 /nfs/dbraw/zinc/10/73/82/427107382.db2.gz PVHPHNNCYTUWBV-SFUIVIKGSA-N 1 3 319.493 2.616 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(COC)c2)C1 ZINC000249385059 427109407 /nfs/dbraw/zinc/10/94/07/427109407.db2.gz YEYCBOAIATVNRP-CABCVRRESA-N 1 3 306.450 2.834 20 0 DFADHO C[C@H](C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000338046833 427111233 /nfs/dbraw/zinc/11/12/33/427111233.db2.gz LNRWEJUEUQZZMR-YPLQCARHSA-N 1 3 323.525 2.730 20 0 DFADHO C[C@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000338046833 427111239 /nfs/dbraw/zinc/11/12/39/427111239.db2.gz LNRWEJUEUQZZMR-YPLQCARHSA-N 1 3 323.525 2.730 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000268799203 427122054 /nfs/dbraw/zinc/12/20/54/427122054.db2.gz XVZNWRKZQRATAS-QYZOEREBSA-N 1 3 320.452 2.990 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000268799203 427122057 /nfs/dbraw/zinc/12/20/57/427122057.db2.gz XVZNWRKZQRATAS-QYZOEREBSA-N 1 3 320.452 2.990 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000292034486 427063951 /nfs/dbraw/zinc/06/39/51/427063951.db2.gz HFXJWOYVUYVPEB-DOTOQJQBSA-N 1 3 317.477 2.764 20 0 DFADHO CNC(=O)C[C@H](C)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000268842726 427135185 /nfs/dbraw/zinc/13/51/85/427135185.db2.gz WDRSVBCIXPHSQQ-INIZCTEOSA-N 1 3 317.477 2.677 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000269248858 427152943 /nfs/dbraw/zinc/15/29/43/427152943.db2.gz NVVZUYBWHZJXQA-GOSISDBHSA-N 1 3 317.477 2.662 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000121094954 271019582 /nfs/dbraw/zinc/01/95/82/271019582.db2.gz GCKVTHZLLWPQHF-APWZRJJASA-N 1 3 302.462 2.948 20 0 DFADHO C[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])N1CCC(C)CC1 ZINC000166336427 271096362 /nfs/dbraw/zinc/09/63/62/271096362.db2.gz SOMXIKGBCNREDA-ZACQAIPSSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000174868296 271141237 /nfs/dbraw/zinc/14/12/37/271141237.db2.gz SPTVYPVPHPOIHJ-WMLDXEAASA-N 1 3 318.465 2.695 20 0 DFADHO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000174868296 271141238 /nfs/dbraw/zinc/14/12/38/271141238.db2.gz SPTVYPVPHPOIHJ-WMLDXEAASA-N 1 3 318.465 2.695 20 0 DFADHO C[C@H]([NH2+]CC1(C)OCCCO1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000277335394 427170189 /nfs/dbraw/zinc/17/01/89/427170189.db2.gz UPKGTVSJFMWRPJ-WMZOPIPTSA-N 1 3 318.461 2.640 20 0 DFADHO CN(CCC(=O)Nc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285527714 271342718 /nfs/dbraw/zinc/34/27/18/271342718.db2.gz OXWJFDBNKATFBZ-SJPCQFCGSA-N 1 3 301.434 2.572 20 0 DFADHO CN(CCC(=O)Nc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285527714 271342721 /nfs/dbraw/zinc/34/27/21/271342721.db2.gz OXWJFDBNKATFBZ-SJPCQFCGSA-N 1 3 301.434 2.572 20 0 DFADHO CCCc1ccc2[nH+]ccc(NCCN3CCN(C)CC3)c2c1 ZINC000296453099 427184811 /nfs/dbraw/zinc/18/48/11/427184811.db2.gz IUSMZAREWNUQKN-UHFFFAOYSA-N 1 3 312.461 2.847 20 0 DFADHO C[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000284368461 427192030 /nfs/dbraw/zinc/19/20/30/427192030.db2.gz NMRIWRQLOHNXRL-OAHLLOKOSA-N 1 3 306.450 2.583 20 0 DFADHO COCC[NH+]1CCC(NCc2ccc(OCC3CC3)cc2)CC1 ZINC000190876204 427192786 /nfs/dbraw/zinc/19/27/86/427192786.db2.gz JBQDHGLNOFRRGD-UHFFFAOYSA-N 1 3 318.461 2.676 20 0 DFADHO CN1CCN(CCC[NH+]2CCCCC2)C[C@H]1Cc1ccccc1 ZINC000284960391 427202199 /nfs/dbraw/zinc/20/21/99/427202199.db2.gz ZVHBOPGGRONZRE-HXUWFJFHSA-N 1 3 315.505 2.721 20 0 DFADHO CCCN[C@@H](C)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000296532411 427214264 /nfs/dbraw/zinc/21/42/64/427214264.db2.gz SRQBRONOJYTGHT-HNNXBMFYSA-N 1 3 321.465 2.734 20 0 DFADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000285676683 427307878 /nfs/dbraw/zinc/30/78/78/427307878.db2.gz NQYUUWFCWQFHBJ-HNNXBMFYSA-N 1 3 324.465 2.631 20 0 DFADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000285676683 427307881 /nfs/dbraw/zinc/30/78/81/427307881.db2.gz NQYUUWFCWQFHBJ-HNNXBMFYSA-N 1 3 324.465 2.631 20 0 DFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338434744 427318533 /nfs/dbraw/zinc/31/85/33/427318533.db2.gz FOYKUKDTWWWWGU-INIZCTEOSA-N 1 3 324.472 2.969 20 0 DFADHO Cc1ccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338434744 427318536 /nfs/dbraw/zinc/31/85/36/427318536.db2.gz FOYKUKDTWWWWGU-INIZCTEOSA-N 1 3 324.472 2.969 20 0 DFADHO Cc1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338434744 427318541 /nfs/dbraw/zinc/31/85/41/427318541.db2.gz FOYKUKDTWWWWGU-INIZCTEOSA-N 1 3 324.472 2.969 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cnn(C(C)C)c1C ZINC000191333991 427321133 /nfs/dbraw/zinc/32/11/33/427321133.db2.gz OJZOMVLAVPGYQB-GDBMZVCRSA-N 1 3 310.486 2.780 20 0 DFADHO Cc1ccc(C[N@@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000191405404 427341526 /nfs/dbraw/zinc/34/15/26/427341526.db2.gz JTURGFTZUTYYSD-UHFFFAOYSA-N 1 3 303.494 2.843 20 0 DFADHO Cc1ccc(C[N@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000191405404 427341532 /nfs/dbraw/zinc/34/15/32/427341532.db2.gz JTURGFTZUTYYSD-UHFFFAOYSA-N 1 3 303.494 2.843 20 0 DFADHO COc1ccc2c(c1)C[C@H](NC1CC[NH+](C3CCC3)CC1)CO2 ZINC000297645970 427418688 /nfs/dbraw/zinc/41/86/88/427418688.db2.gz JYUDWCDMFOHIJF-INIZCTEOSA-N 1 3 316.445 2.605 20 0 DFADHO C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000286073569 427417794 /nfs/dbraw/zinc/41/77/94/427417794.db2.gz LERCVDCGDRRSTO-QXCFHYIPSA-N 1 3 302.462 2.648 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000262676471 427367657 /nfs/dbraw/zinc/36/76/57/427367657.db2.gz SGGNMIWEAQJSHN-BQFCYCMXSA-N 1 3 317.477 2.513 20 0 DFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000263280019 427451131 /nfs/dbraw/zinc/45/11/31/427451131.db2.gz RPOAMUVPMFDQKO-CVYDXHPNSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000263280019 427451136 /nfs/dbraw/zinc/45/11/36/427451136.db2.gz RPOAMUVPMFDQKO-CVYDXHPNSA-N 1 3 317.477 2.559 20 0 DFADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192141534 427488957 /nfs/dbraw/zinc/48/89/57/427488957.db2.gz IGFWWKGRKATDMT-KBRIMQKVSA-N 1 3 310.388 2.869 20 0 DFADHO CO[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000293754012 427427012 /nfs/dbraw/zinc/42/70/12/427427012.db2.gz QPFYLSAVAXFFFF-UAFMIMERSA-N 1 3 314.473 2.912 20 0 DFADHO CO[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000293754012 427427021 /nfs/dbraw/zinc/42/70/21/427427021.db2.gz QPFYLSAVAXFFFF-UAFMIMERSA-N 1 3 314.473 2.912 20 0 DFADHO CO[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000293754012 427427030 /nfs/dbraw/zinc/42/70/30/427427030.db2.gz QPFYLSAVAXFFFF-UAFMIMERSA-N 1 3 314.473 2.912 20 0 DFADHO C[C@@](O)(CNC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000297688814 427429224 /nfs/dbraw/zinc/42/92/24/427429224.db2.gz PSOWPYBBQKLLMU-QGZVFWFLSA-N 1 3 308.853 2.764 20 0 DFADHO CC(C)Cc1cccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000286176512 427446307 /nfs/dbraw/zinc/44/63/07/427446307.db2.gz QQYSPTBXLZBSDD-MRXNPFEDSA-N 1 3 304.478 2.992 20 0 DFADHO C[C@H](CO)[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000278980521 427521667 /nfs/dbraw/zinc/52/16/67/427521667.db2.gz PJPBJRBHFDTRAX-XGXHKWSGSA-N 1 3 302.462 2.648 20 0 DFADHO c1cc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)ccn1 ZINC000294307410 427618371 /nfs/dbraw/zinc/61/83/71/427618371.db2.gz VOLLDYQHJOBLIW-KURKYZTESA-N 1 3 313.445 2.598 20 0 DFADHO O[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1cccc(F)c1 ZINC000298324507 427572360 /nfs/dbraw/zinc/57/23/60/427572360.db2.gz INLXUSBWSJXNOS-SFHVURJKSA-N 1 3 315.392 2.513 20 0 DFADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308300 427575363 /nfs/dbraw/zinc/57/53/63/427575363.db2.gz CVEKPHOUQDBTRH-HZPDHXFCSA-N 1 3 313.449 2.650 20 0 DFADHO CCC[N@H+]1CC[C@H](CN[C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308300 427575371 /nfs/dbraw/zinc/57/53/71/427575371.db2.gz CVEKPHOUQDBTRH-HZPDHXFCSA-N 1 3 313.449 2.650 20 0 DFADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308300 427575377 /nfs/dbraw/zinc/57/53/77/427575377.db2.gz CVEKPHOUQDBTRH-HZPDHXFCSA-N 1 3 313.449 2.650 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+][C@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000287335759 427580792 /nfs/dbraw/zinc/58/07/92/427580792.db2.gz MQVDOLPGWFWASM-INDMIFKZSA-N 1 3 300.446 2.666 20 0 DFADHO CC[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCCC1 ZINC000298423907 427603789 /nfs/dbraw/zinc/60/37/89/427603789.db2.gz MPRXEBNGMDLFTB-KRWDZBQOSA-N 1 3 302.466 2.514 20 0 DFADHO C[C@H](NC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccccc1 ZINC000298440920 427610014 /nfs/dbraw/zinc/61/00/14/427610014.db2.gz NKGXXJPMVIRMIU-HNNXBMFYSA-N 1 3 324.428 2.667 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@](C)(O)c1cccc(Cl)c1 ZINC000185309117 427630499 /nfs/dbraw/zinc/63/04/99/427630499.db2.gz NJHNSADWEJUFBN-OQUILHJVSA-N 1 3 310.869 2.866 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@](C)(O)c1cccc(Cl)c1 ZINC000185309117 427630505 /nfs/dbraw/zinc/63/05/05/427630505.db2.gz NJHNSADWEJUFBN-OQUILHJVSA-N 1 3 310.869 2.866 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000287566188 427641500 /nfs/dbraw/zinc/64/15/00/427641500.db2.gz BLMBBTRRWCEOAC-WBAXXEDZSA-N 1 3 324.896 2.906 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000287566188 427641504 /nfs/dbraw/zinc/64/15/04/427641504.db2.gz BLMBBTRRWCEOAC-WBAXXEDZSA-N 1 3 324.896 2.906 20 0 DFADHO CCSc1cccc(C[NH2+]C[C@@H](C)N2CCN(CC)CC2)c1 ZINC000185467146 427658010 /nfs/dbraw/zinc/65/80/10/427658010.db2.gz NQEUMFMZRURVOD-MRXNPFEDSA-N 1 3 321.534 2.914 20 0 DFADHO COc1ccccc1C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339068590 427660027 /nfs/dbraw/zinc/66/00/27/427660027.db2.gz RMIKZEVFRQBBKL-HZPDHXFCSA-N 1 3 300.446 2.943 20 0 DFADHO COc1ccccc1C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339068590 427660031 /nfs/dbraw/zinc/66/00/31/427660031.db2.gz RMIKZEVFRQBBKL-HZPDHXFCSA-N 1 3 300.446 2.943 20 0 DFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2sccc2Cl)CC1 ZINC000193085447 427663177 /nfs/dbraw/zinc/66/31/77/427663177.db2.gz WRSFTDIYYFKBIH-ZDUSSCGKSA-N 1 3 315.914 2.765 20 0 DFADHO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)[C@@H]1CC1(C)C ZINC000342410393 272006483 /nfs/dbraw/zinc/00/64/83/272006483.db2.gz AXFDSRDNQSIBAA-ZBFHGGJFSA-N 1 3 305.466 2.936 20 0 DFADHO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)[C@H]1CC1(C)C ZINC000342410384 272006990 /nfs/dbraw/zinc/00/69/90/272006990.db2.gz AXFDSRDNQSIBAA-GDBMZVCRSA-N 1 3 305.466 2.936 20 0 DFADHO C[C@H]1CC([NH2+]Cc2ccncc2OCCN(C)C)C[C@H](C)C1 ZINC000342417519 272008810 /nfs/dbraw/zinc/00/88/10/272008810.db2.gz HQTTUCYSQFDZIA-HUUCEWRRSA-N 1 3 305.466 2.936 20 0 DFADHO Cn1cc(-c2cccc(CNC3CC[NH+](C4CC4)CC3)c2)cn1 ZINC000342721488 272047200 /nfs/dbraw/zinc/04/72/00/272047200.db2.gz CCUDLNNJVREYGX-UHFFFAOYSA-N 1 3 310.445 2.804 20 0 DFADHO CC[C@@H]1C[C@@H](C)CC[C@@H]1NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333654723 427669252 /nfs/dbraw/zinc/66/92/52/427669252.db2.gz ZRBZJBJTHIXOJO-GUTXKFCHSA-N 1 3 305.470 2.576 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343096581 272085408 /nfs/dbraw/zinc/08/54/08/272085408.db2.gz RPSFWEDOXBDDFJ-SFHVURJKSA-N 1 3 321.896 2.945 20 0 DFADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343096579 272085806 /nfs/dbraw/zinc/08/58/06/272085806.db2.gz RPSFWEDOXBDDFJ-GOSISDBHSA-N 1 3 321.896 2.945 20 0 DFADHO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCOCCN(C)C)C1 ZINC000343463461 272153268 /nfs/dbraw/zinc/15/32/68/272153268.db2.gz ZGOZGERAGVJQMR-DLBZAZTESA-N 1 3 305.466 2.584 20 0 DFADHO CCC[NH+]1CCC(CN[C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000343511342 272163831 /nfs/dbraw/zinc/16/38/31/272163831.db2.gz NPGFNTDXEMADAR-KRWDZBQOSA-N 1 3 313.449 2.606 20 0 DFADHO C[N@@H+]1CC[C@@](O)(CN[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000343569503 272173388 /nfs/dbraw/zinc/17/33/88/272173388.db2.gz RXIZSXDZZVTMBW-WOJBJXKFSA-N 1 3 310.441 2.627 20 0 DFADHO C[N@H+]1CC[C@@](O)(CN[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000343569503 272173391 /nfs/dbraw/zinc/17/33/91/272173391.db2.gz RXIZSXDZZVTMBW-WOJBJXKFSA-N 1 3 310.441 2.627 20 0 DFADHO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000343577297 272175550 /nfs/dbraw/zinc/17/55/50/272175550.db2.gz IQYABFZAMJQKSM-KRWDZBQOSA-N 1 3 323.525 2.831 20 0 DFADHO C[C@@H]1CCC[C@H](C[N@@H+]2CCN(C3CCN(C)CC3)[C@H](C)C2)C1 ZINC000343720468 272207760 /nfs/dbraw/zinc/20/77/60/272207760.db2.gz VFRVHNIEIONIPF-KURKYZTESA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCC[C@H](C[N@H+]2CCN(C3CCN(C)CC3)[C@H](C)C2)C1 ZINC000343720468 272207762 /nfs/dbraw/zinc/20/77/62/272207762.db2.gz VFRVHNIEIONIPF-KURKYZTESA-N 1 3 307.526 2.913 20 0 DFADHO O[C@H](CN1CCC(CCC[NH+]2CCCC2)CC1)c1cccnc1 ZINC000295065170 427679279 /nfs/dbraw/zinc/67/92/79/427679279.db2.gz ZBUCASLPJKJOHS-LJQANCHMSA-N 1 3 317.477 2.703 20 0 DFADHO COc1c(O)cccc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000272227721 427679938 /nfs/dbraw/zinc/67/99/38/427679938.db2.gz DFASEIPRDBPEPO-UHFFFAOYSA-N 1 3 306.450 2.955 20 0 DFADHO CCN1C[C@@H](C)[C@@H]([NH2+]CC2CCN(Cc3cccs3)CC2)C1 ZINC000343990454 272247849 /nfs/dbraw/zinc/24/78/49/272247849.db2.gz UXIAGRSXUTXWBG-QAPCUYQASA-N 1 3 321.534 2.890 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000344064381 272254948 /nfs/dbraw/zinc/25/49/48/272254948.db2.gz NSKQFKPEOZOYBZ-OAHLLOKOSA-N 1 3 305.457 2.627 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000344064381 272254949 /nfs/dbraw/zinc/25/49/49/272254949.db2.gz NSKQFKPEOZOYBZ-OAHLLOKOSA-N 1 3 305.457 2.627 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000344094769 272261979 /nfs/dbraw/zinc/26/19/79/272261979.db2.gz GNUMVXFAKJKBKC-GOSISDBHSA-N 1 3 302.462 2.964 20 0 DFADHO Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@H](C)Cn1ccnc1C ZINC000344119499 272267901 /nfs/dbraw/zinc/26/79/01/272267901.db2.gz PDVMTMPZIWHRSK-AWEZNQCLSA-N 1 3 324.432 2.507 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000344614947 272348544 /nfs/dbraw/zinc/34/85/44/272348544.db2.gz LOOIRFAIZXNMNW-ZACQAIPSSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000344614947 272348546 /nfs/dbraw/zinc/34/85/46/272348546.db2.gz LOOIRFAIZXNMNW-ZACQAIPSSA-N 1 3 309.498 2.630 20 0 DFADHO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000344832622 272375509 /nfs/dbraw/zinc/37/55/09/272375509.db2.gz PBULRGKNMKFJFO-QGZVKYPTSA-N 1 3 315.505 2.969 20 0 DFADHO CC[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C1(C(=O)OC)CCC1 ZINC000272341623 427715304 /nfs/dbraw/zinc/71/53/04/427715304.db2.gz BTNDGYKGELZUGE-KRWDZBQOSA-N 1 3 318.461 2.960 20 0 DFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](N)CC1CCCCC1 ZINC000336863070 427764841 /nfs/dbraw/zinc/76/48/41/427764841.db2.gz HSJKAFZDYQQUJN-NVXWUHKLSA-N 1 3 311.514 2.911 20 0 DFADHO CN(C)CCOc1cccc(NC2CC[NH+](C3CC3)CC2)c1 ZINC000336867691 427766939 /nfs/dbraw/zinc/76/69/39/427766939.db2.gz UDVOUIBBFYMPFH-UHFFFAOYSA-N 1 3 303.450 2.666 20 0 DFADHO Cc1nc2ccc(CN3CCC(OCCC[NH3+])CC3)cc2s1 ZINC000339407428 427768654 /nfs/dbraw/zinc/76/86/54/427768654.db2.gz LKZRIYMOFSNVJY-UHFFFAOYSA-N 1 3 319.474 2.935 20 0 DFADHO COc1ccc(F)c(CNCC2(SC)CC[NH+](C)CC2)c1 ZINC000339403387 427769345 /nfs/dbraw/zinc/76/93/45/427769345.db2.gz PHFOGIPJVJAKEB-UHFFFAOYSA-N 1 3 312.454 2.751 20 0 DFADHO COc1ccc(CN(C[C@H]2CCC[NH2+]C2)[C@@H](CO)C(C)C)cc1 ZINC000339431721 427773683 /nfs/dbraw/zinc/77/36/83/427773683.db2.gz UUFWGADDRNARKK-HKUYNNGSSA-N 1 3 320.477 2.514 20 0 DFADHO COc1ccc(C[N@H+](C[C@H]2CCCNC2)[C@@H](CO)C(C)C)cc1 ZINC000339431721 427773685 /nfs/dbraw/zinc/77/36/85/427773685.db2.gz UUFWGADDRNARKK-HKUYNNGSSA-N 1 3 320.477 2.514 20 0 DFADHO COc1ccc(C[N@@H+](C[C@H]2CCCNC2)[C@@H](CO)C(C)C)cc1 ZINC000339431721 427773687 /nfs/dbraw/zinc/77/36/87/427773687.db2.gz UUFWGADDRNARKK-HKUYNNGSSA-N 1 3 320.477 2.514 20 0 DFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C23CCCN2CCC3)C1 ZINC000339270982 427746657 /nfs/dbraw/zinc/74/66/57/427746657.db2.gz KLSKGKGTCWJALI-INIZCTEOSA-N 1 3 321.509 2.632 20 0 DFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C23CCCN2CCC3)C1 ZINC000339270982 427746660 /nfs/dbraw/zinc/74/66/60/427746660.db2.gz KLSKGKGTCWJALI-INIZCTEOSA-N 1 3 321.509 2.632 20 0 DFADHO CC[NH+](CC)CCOCCN[C@@H]1CCCc2nc(C)sc21 ZINC000349670278 427840843 /nfs/dbraw/zinc/84/08/43/427840843.db2.gz VCAFYJHAHUGEMM-CQSZACIVSA-N 1 3 311.495 2.777 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CCSC(C)(C)CC2)CC1 ZINC000337366648 427866823 /nfs/dbraw/zinc/86/68/23/427866823.db2.gz LLOUSMFZFQQTFL-UHFFFAOYSA-N 1 3 313.555 2.620 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CCSC(C)(C)CC2)CC1 ZINC000337366648 427866826 /nfs/dbraw/zinc/86/68/26/427866826.db2.gz LLOUSMFZFQQTFL-UHFFFAOYSA-N 1 3 313.555 2.620 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCCOC1 ZINC000355747838 427872217 /nfs/dbraw/zinc/87/22/17/427872217.db2.gz WVNFYOACAVLGAX-NVXWUHKLSA-N 1 3 306.450 2.532 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337409599 427891291 /nfs/dbraw/zinc/89/12/91/427891291.db2.gz WHJBSJKCTIYADP-HOTGVXAUSA-N 1 3 320.477 2.875 20 0 DFADHO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000337424526 427898391 /nfs/dbraw/zinc/89/83/91/427898391.db2.gz RKAONXZIRQBWHI-OAHLLOKOSA-N 1 3 323.447 2.969 20 0 DFADHO CC(C)[C@H](CC(F)(F)F)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000337424525 427899163 /nfs/dbraw/zinc/89/91/63/427899163.db2.gz RKAONXZIRQBWHI-HNNXBMFYSA-N 1 3 323.447 2.969 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@@]1(C)CCCO1 ZINC000340479138 427859412 /nfs/dbraw/zinc/85/94/12/427859412.db2.gz WIPLZLSJZNWYFE-QFBILLFUSA-N 1 3 320.477 2.717 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(CC)C2)[C@H]1Oc1ccccc1 ZINC000359660903 427961191 /nfs/dbraw/zinc/96/11/91/427961191.db2.gz MMEWTQYUGRGFCM-QXCFHYIPSA-N 1 3 318.461 2.543 20 0 DFADHO CCC[NH+]1CCC(CN[C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000340231375 427961960 /nfs/dbraw/zinc/96/19/60/427961960.db2.gz OKUDENGSQZHEGK-OAHLLOKOSA-N 1 3 319.478 2.667 20 0 DFADHO C[C@@H]1C[NH+](CC2CCN(CCc3cscn3)CC2)C[C@@H](C)O1 ZINC000340282502 427976102 /nfs/dbraw/zinc/97/61/02/427976102.db2.gz KSHWZABRERUOIJ-HUUCEWRRSA-N 1 3 323.506 2.507 20 0 DFADHO Cc1cnc(CNCC2CC[NH+](Cc3cccs3)CC2)n1C ZINC000341048060 427979725 /nfs/dbraw/zinc/97/97/25/427979725.db2.gz OCLHIBRAWJBCJJ-UHFFFAOYSA-N 1 3 318.490 2.792 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCCC1)c1ccc(C(=O)OC)cc1 ZINC000340179750 427948236 /nfs/dbraw/zinc/94/82/36/427948236.db2.gz HDMLHOYFCRQGMI-KRWDZBQOSA-N 1 3 304.434 3.000 20 0 DFADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(C(=O)OC)cc1 ZINC000340188847 427950408 /nfs/dbraw/zinc/95/04/08/427950408.db2.gz QKLQEKKEZUCRJT-PBHICJAKSA-N 1 3 304.434 2.856 20 0 DFADHO Cn1ccnc1C[C@H]1CCC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000340919347 427952865 /nfs/dbraw/zinc/95/28/65/427952865.db2.gz YFAWJYLKQZRYMD-IAGOWNOFSA-N 1 3 304.482 2.549 20 0 DFADHO Cn1ccnc1C[C@H]1CCC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000340919347 427952871 /nfs/dbraw/zinc/95/28/71/427952871.db2.gz YFAWJYLKQZRYMD-IAGOWNOFSA-N 1 3 304.482 2.549 20 0 DFADHO Cn1ccnc1C[C@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000340919347 427952873 /nfs/dbraw/zinc/95/28/73/427952873.db2.gz YFAWJYLKQZRYMD-IAGOWNOFSA-N 1 3 304.482 2.549 20 0 DFADHO Cn1ccnc1C[C@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000340919347 427952880 /nfs/dbraw/zinc/95/28/80/427952880.db2.gz YFAWJYLKQZRYMD-IAGOWNOFSA-N 1 3 304.482 2.549 20 0 DFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000359806282 428024126 /nfs/dbraw/zinc/02/41/26/428024126.db2.gz LWIKWUCXEIXFHC-WBVHZDCISA-N 1 3 309.498 2.630 20 0 DFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000359806282 428024131 /nfs/dbraw/zinc/02/41/31/428024131.db2.gz LWIKWUCXEIXFHC-WBVHZDCISA-N 1 3 309.498 2.630 20 0 DFADHO CC(C)[NH+](CCN(C)C(=O)c1ccc(CN(C)C)cc1)C(C)C ZINC000356172233 428052795 /nfs/dbraw/zinc/05/27/95/428052795.db2.gz XEWZWUDXSXRLDX-UHFFFAOYSA-N 1 3 319.493 2.939 20 0 DFADHO CCN(CC)C(=O)CN1CCC(CCC[NH+](CC)CC)CC1 ZINC000359883465 428059321 /nfs/dbraw/zinc/05/93/21/428059321.db2.gz WASPSPYVHAEJMI-UHFFFAOYSA-N 1 3 311.514 2.689 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000369558283 427998434 /nfs/dbraw/zinc/99/84/34/427998434.db2.gz CIQABAYFCHOXII-WCXIOVBPSA-N 1 3 304.482 2.909 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340364927 428000376 /nfs/dbraw/zinc/00/03/76/428000376.db2.gz GDRJHVYORVLJBL-UONOGXRCSA-N 1 3 302.340 2.948 20 0 DFADHO C[N@H+]1CC[C@H](NCCOC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340364927 428000383 /nfs/dbraw/zinc/00/03/83/428000383.db2.gz GDRJHVYORVLJBL-UONOGXRCSA-N 1 3 302.340 2.948 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000346288103 428109864 /nfs/dbraw/zinc/10/98/64/428109864.db2.gz PBTHXAWPCZHUQN-ZWKOTPCHSA-N 1 3 317.477 2.614 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCN(CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000351861186 428113558 /nfs/dbraw/zinc/11/35/58/428113558.db2.gz JIQZJLVSXPWYML-VXGBXAGGSA-N 1 3 302.340 2.753 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCN(CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000351861184 428114216 /nfs/dbraw/zinc/11/42/16/428114216.db2.gz JIQZJLVSXPWYML-NWDGAFQWSA-N 1 3 302.340 2.753 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000360016436 428117743 /nfs/dbraw/zinc/11/77/43/428117743.db2.gz MHGAEMMJKQBTSV-NVXWUHKLSA-N 1 3 318.461 2.662 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000360016436 428117746 /nfs/dbraw/zinc/11/77/46/428117746.db2.gz MHGAEMMJKQBTSV-NVXWUHKLSA-N 1 3 318.461 2.662 20 0 DFADHO CC1=C[C@@H](C)C[C@@H](C[N@H+](C)CCN(C)C2CCN(C)CC2)C1 ZINC000356321553 428126014 /nfs/dbraw/zinc/12/60/14/428126014.db2.gz QJASRKWRORFTIO-SJLPKXTDSA-N 1 3 307.526 2.937 20 0 DFADHO CC1=C[C@@H](C)C[C@@H](C[N@@H+](C)CCN(C)C2CCN(C)CC2)C1 ZINC000356321553 428126019 /nfs/dbraw/zinc/12/60/19/428126019.db2.gz QJASRKWRORFTIO-SJLPKXTDSA-N 1 3 307.526 2.937 20 0 DFADHO Cn1cc(-c2ccc(CN3CCCC[C@@H]3CC[NH3+])s2)cn1 ZINC000352546405 428145830 /nfs/dbraw/zinc/14/58/30/428145830.db2.gz USOMLKXMCUSLBY-CQSZACIVSA-N 1 3 304.463 2.852 20 0 DFADHO COc1cccc([C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000370110581 428137478 /nfs/dbraw/zinc/13/74/78/428137478.db2.gz ISSBBPJGVUQIPJ-RDJZCZTQSA-N 1 3 317.477 2.514 20 0 DFADHO CSC1(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000377540864 428152491 /nfs/dbraw/zinc/15/24/91/428152491.db2.gz KNKLTYPSVMKOMD-GASCZTMLSA-N 1 3 312.523 2.703 20 0 DFADHO CC(C)[C@H](CSc1ccccc1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000352558277 428149300 /nfs/dbraw/zinc/14/93/00/428149300.db2.gz VXFLLGHOYQKRPI-AEFFLSMTSA-N 1 3 322.518 2.850 20 0 DFADHO Cc1cccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1C ZINC000377628939 428176880 /nfs/dbraw/zinc/17/68/80/428176880.db2.gz OYHFCHFSJPSFJK-FQEVSTJZSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1cccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1C ZINC000377628939 428176885 /nfs/dbraw/zinc/17/68/85/428176885.db2.gz OYHFCHFSJPSFJK-FQEVSTJZSA-N 1 3 315.505 2.904 20 0 DFADHO CN1CC[NH+](C[C@H]2CCCN(C/C=C/c3ccccc3)C2)CC1 ZINC000377628670 428176965 /nfs/dbraw/zinc/17/69/65/428176965.db2.gz QLXWKFQEWNFNNP-MRSBXDGLSA-N 1 3 313.489 2.659 20 0 DFADHO CC[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@H]1C[C@@H]1C ZINC000414111699 428209713 /nfs/dbraw/zinc/20/97/13/428209713.db2.gz MSQUNYKGYVWFOT-BZSNNMDCSA-N 1 3 307.526 2.961 20 0 DFADHO C[C@@H](CCC1CC1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000346552243 428215197 /nfs/dbraw/zinc/21/51/97/428215197.db2.gz FDIVGLAPGMSSIE-KRWDZBQOSA-N 1 3 316.493 2.762 20 0 DFADHO Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000356523057 428217814 /nfs/dbraw/zinc/21/78/14/428217814.db2.gz JMGQIBCESLRYRT-RBUKOAKNSA-N 1 3 324.472 2.980 20 0 DFADHO Cc1n[nH]c(C)c1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000356523057 428217819 /nfs/dbraw/zinc/21/78/19/428217819.db2.gz JMGQIBCESLRYRT-RBUKOAKNSA-N 1 3 324.472 2.980 20 0 DFADHO CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC[C@H]1CCCC[N@@H+]1C ZINC000370495681 428221733 /nfs/dbraw/zinc/22/17/33/428221733.db2.gz BQTFCUJODHVGQL-KZNAEPCWSA-N 1 3 321.509 2.726 20 0 DFADHO CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC[C@H]1CCCC[N@H+]1C ZINC000370495681 428221741 /nfs/dbraw/zinc/22/17/41/428221741.db2.gz BQTFCUJODHVGQL-KZNAEPCWSA-N 1 3 321.509 2.726 20 0 DFADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1nc2ccccc2n1C ZINC000414184824 428227473 /nfs/dbraw/zinc/22/74/73/428227473.db2.gz OJMRJWOCEYEBQC-LSDHHAIUSA-N 1 3 300.450 2.956 20 0 DFADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1nc2ccccc2n1C ZINC000414184824 428227476 /nfs/dbraw/zinc/22/74/76/428227476.db2.gz OJMRJWOCEYEBQC-LSDHHAIUSA-N 1 3 300.450 2.956 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000341863268 428232303 /nfs/dbraw/zinc/23/23/03/428232303.db2.gz NGVNSWDRLRJIGB-ULQDDVLXSA-N 1 3 311.514 2.876 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CNC/C=C\c1ccc(F)c(F)c1 ZINC000352763107 428236410 /nfs/dbraw/zinc/23/64/10/428236410.db2.gz GRZSPRNTBLLTHF-YVACAVLKSA-N 1 3 312.404 2.924 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)/C=C/CN(C)C)CC1 ZINC000370550203 428239277 /nfs/dbraw/zinc/23/92/77/428239277.db2.gz UJYDQOXFRDJKAX-JKNJVXJCSA-N 1 3 321.509 2.607 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)/C=C/CN(C)C)CC1 ZINC000370550203 428239283 /nfs/dbraw/zinc/23/92/83/428239283.db2.gz UJYDQOXFRDJKAX-JKNJVXJCSA-N 1 3 321.509 2.607 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1 ZINC000352770617 428239884 /nfs/dbraw/zinc/23/98/84/428239884.db2.gz NEUZNUPYPRCJBV-NXHRZFHOSA-N 1 3 322.880 2.832 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1 ZINC000352770617 428239889 /nfs/dbraw/zinc/23/98/89/428239889.db2.gz NEUZNUPYPRCJBV-NXHRZFHOSA-N 1 3 322.880 2.832 20 0 DFADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1 ZINC000352770617 428239891 /nfs/dbraw/zinc/23/98/91/428239891.db2.gz NEUZNUPYPRCJBV-NXHRZFHOSA-N 1 3 322.880 2.832 20 0 DFADHO C[N@H+]1CCC[C@@H]1CCN1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1 ZINC000352770617 428239893 /nfs/dbraw/zinc/23/98/93/428239893.db2.gz NEUZNUPYPRCJBV-NXHRZFHOSA-N 1 3 322.880 2.832 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000346481332 428189855 /nfs/dbraw/zinc/18/98/55/428189855.db2.gz GOFTUMCIJPOCHD-MAUKXSAKSA-N 1 3 317.477 2.551 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000346481332 428189860 /nfs/dbraw/zinc/18/98/60/428189860.db2.gz GOFTUMCIJPOCHD-MAUKXSAKSA-N 1 3 317.477 2.551 20 0 DFADHO COc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)c(C)c1 ZINC000414063276 428193624 /nfs/dbraw/zinc/19/36/24/428193624.db2.gz DNORYPPQNIIFNN-OAHLLOKOSA-N 1 3 306.450 2.501 20 0 DFADHO CCCC[NH+]1CCC(N[C@H](C)Cc2ccc(OC)nc2)CC1 ZINC000414078495 428199715 /nfs/dbraw/zinc/19/97/15/428199715.db2.gz RBDAIJNXEYKZKE-OAHLLOKOSA-N 1 3 305.466 2.875 20 0 DFADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OCC(F)(F)F)cc1 ZINC000346694083 428275507 /nfs/dbraw/zinc/27/55/07/428275507.db2.gz RTVTYJGTRXBMFV-YPMHNXCESA-N 1 3 302.340 2.797 20 0 DFADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1cccc(OCC(F)(F)F)c1 ZINC000346694596 428277457 /nfs/dbraw/zinc/27/74/57/428277457.db2.gz VBCWJSZBRRCRNO-WCQYABFASA-N 1 3 302.340 2.797 20 0 DFADHO CN1CC[C@H]([NH2+]CCOc2ncccc2Cl)[C@H]2CCC[C@@H]21 ZINC000370586054 428247692 /nfs/dbraw/zinc/24/76/92/428247692.db2.gz ZXPMRUSUPKEFJF-SNPRPXQTSA-N 1 3 309.841 2.576 20 0 DFADHO C[N@@H+]1CC[C@H](NCCOc2ncccc2Cl)[C@H]2CCC[C@@H]21 ZINC000370586054 428247695 /nfs/dbraw/zinc/24/76/95/428247695.db2.gz ZXPMRUSUPKEFJF-SNPRPXQTSA-N 1 3 309.841 2.576 20 0 DFADHO C[N@H+]1CC[C@H](NCCOc2ncccc2Cl)[C@H]2CCC[C@@H]21 ZINC000370586054 428247699 /nfs/dbraw/zinc/24/76/99/428247699.db2.gz ZXPMRUSUPKEFJF-SNPRPXQTSA-N 1 3 309.841 2.576 20 0 DFADHO Cc1nn(C(C)C)cc1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000377885404 428254036 /nfs/dbraw/zinc/25/40/36/428254036.db2.gz SUOIBSLMLMTQFX-KRWDZBQOSA-N 1 3 304.482 2.936 20 0 DFADHO N[C@@H](CC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000370860669 428309437 /nfs/dbraw/zinc/30/94/37/428309437.db2.gz JNDCWAYUXJEHPT-MSOLQXFVSA-N 1 3 315.461 2.553 20 0 DFADHO CCOc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346841268 428341410 /nfs/dbraw/zinc/34/14/10/428341410.db2.gz GYXDZZWTTKLMLP-HRCADAONSA-N 1 3 304.434 2.653 20 0 DFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC3(CCCCC3)CC2)C1 ZINC000414746093 428392761 /nfs/dbraw/zinc/39/27/61/428392761.db2.gz QCUCFUWDRUIVJZ-KRWDZBQOSA-N 1 3 321.509 2.620 20 0 DFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC3(CCCCC3)CC2)C1 ZINC000414746093 428392762 /nfs/dbraw/zinc/39/27/62/428392762.db2.gz QCUCFUWDRUIVJZ-KRWDZBQOSA-N 1 3 321.509 2.620 20 0 DFADHO c1csc(-c2n[nH]cc2CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414770665 428397617 /nfs/dbraw/zinc/39/76/17/428397617.db2.gz PITOMEAAFJEMDG-BETUJISGSA-N 1 3 302.447 2.570 20 0 DFADHO COc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1SC ZINC000414764400 428398350 /nfs/dbraw/zinc/39/83/50/428398350.db2.gz DHZRNOGPUUBEQF-GASCZTMLSA-N 1 3 306.475 2.849 20 0 DFADHO CC(C)N(C)c1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414773631 428400760 /nfs/dbraw/zinc/40/07/60/428400760.db2.gz DQBOIRYDEGGWKF-ROUUACIJSA-N 1 3 316.493 2.748 20 0 DFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414773750 428400838 /nfs/dbraw/zinc/40/08/38/428400838.db2.gz XQWHKVRUVXVKMZ-IYBDPMFKSA-N 1 3 304.482 2.686 20 0 DFADHO Fc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC(F)F ZINC000414771764 428400994 /nfs/dbraw/zinc/40/09/94/428400994.db2.gz ROBYLXRFLMHLCO-BETUJISGSA-N 1 3 314.351 2.859 20 0 DFADHO c1nn(Cc2ccccc2)cc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780645 428403529 /nfs/dbraw/zinc/40/35/29/428403529.db2.gz LUKJVLCUHONJQC-WOJBJXKFSA-N 1 3 324.472 2.753 20 0 DFADHO Cc1cc(C)c(C[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)c(C)c1 ZINC000414791781 428414499 /nfs/dbraw/zinc/41/44/99/428414499.db2.gz QXNHJUGAZQIKNW-QGZVFWFLSA-N 1 3 302.462 2.799 20 0 DFADHO Cc1cc(C)c(C[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)c(C)c1 ZINC000414791781 428414503 /nfs/dbraw/zinc/41/45/03/428414503.db2.gz QXNHJUGAZQIKNW-QGZVFWFLSA-N 1 3 302.462 2.799 20 0 DFADHO CC(C)CC[NH+](CCC(C)C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414664499 428367865 /nfs/dbraw/zinc/36/78/65/428367865.db2.gz CLFLKVRBXTXZAT-QGZVFWFLSA-N 1 3 311.514 2.578 20 0 DFADHO Cc1cccc(NC(=O)CN(C)C[C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000414677035 428373927 /nfs/dbraw/zinc/37/39/27/428373927.db2.gz ODPSSLKIAYICIM-HOCLYGCPSA-N 1 3 303.450 2.562 20 0 DFADHO CC1(C)Cc2cc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)ccc2O1 ZINC000414676037 428374230 /nfs/dbraw/zinc/37/42/30/428374230.db2.gz UQTZPWBAXMFDSM-BHYGNILZSA-N 1 3 300.446 2.959 20 0 DFADHO [NH3+]C1(CNC2CCN(C(=O)c3ccoc3)CC2)CCCCCC1 ZINC000414856507 428435207 /nfs/dbraw/zinc/43/52/07/428435207.db2.gz AQSCKQHUQINGSI-UHFFFAOYSA-N 1 3 319.449 2.526 20 0 DFADHO C[NH2+]CCCN[C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414859011 428435733 /nfs/dbraw/zinc/43/57/33/428435733.db2.gz LTXVUDZPWDANCR-JTQLQIEISA-N 1 3 303.219 2.718 20 0 DFADHO COCc1ccccc1/C=C(\C)C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000353229186 428440714 /nfs/dbraw/zinc/44/07/14/428440714.db2.gz DIUSZRGWKVOYRD-UHQNJDOXSA-N 1 3 300.446 2.730 20 0 DFADHO COCc1ccccc1/C=C(\C)C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000353229186 428440721 /nfs/dbraw/zinc/44/07/21/428440721.db2.gz DIUSZRGWKVOYRD-UHQNJDOXSA-N 1 3 300.446 2.730 20 0 DFADHO C[C@H](CN)C[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414871560 428440703 /nfs/dbraw/zinc/44/07/03/428440703.db2.gz DEIIESMZQBQGMM-NXEZZACHSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@H](C[NH3+])CN[C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414871560 428440709 /nfs/dbraw/zinc/44/07/09/428440709.db2.gz DEIIESMZQBQGMM-NXEZZACHSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@H](C[NH3+])CNCc1ccc(OC(F)F)c(Br)c1 ZINC000414878180 428441408 /nfs/dbraw/zinc/44/14/08/428441408.db2.gz NZXPXBPRIPTNGU-MRVPVSSYSA-N 1 3 323.181 2.735 20 0 DFADHO N[C@@H](C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC1 ZINC000414883896 428444332 /nfs/dbraw/zinc/44/43/32/428444332.db2.gz DWBZDMXLEFZHTD-AWEZNQCLSA-N 1 3 324.350 2.718 20 0 DFADHO C[C@H](Cc1ccc(Br)c(F)c1)NC[C@H]1CC[NH2+]C1 ZINC000414897970 428449127 /nfs/dbraw/zinc/44/91/27/428449127.db2.gz ALIJGQPAWMBGJG-PWSUYJOCSA-N 1 3 315.230 2.718 20 0 DFADHO C[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(OCCN(C)C)cc1 ZINC000353251928 428450555 /nfs/dbraw/zinc/45/05/55/428450555.db2.gz RMWALUQLODOQCK-GFCCVEGCSA-N 1 3 320.355 2.814 20 0 DFADHO C[C@@H](NCCOC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000353251928 428450562 /nfs/dbraw/zinc/45/05/62/428450562.db2.gz RMWALUQLODOQCK-GFCCVEGCSA-N 1 3 320.355 2.814 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)NCC[C@H]1CCC[NH2+]1 ZINC000414901708 428450612 /nfs/dbraw/zinc/45/06/12/428450612.db2.gz GOIIYGIRZXMNTF-HZPDHXFCSA-N 1 3 306.450 2.757 20 0 DFADHO C[C@H](O)CN(C)C1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000353254463 428451810 /nfs/dbraw/zinc/45/18/10/428451810.db2.gz NXBLRCMGZJDDCR-KVSKMBFKSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414906559 428452267 /nfs/dbraw/zinc/45/22/67/428452267.db2.gz MGXNWSSVSXUQCS-SUMWQHHRSA-N 1 3 307.413 2.522 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414906559 428452272 /nfs/dbraw/zinc/45/22/72/428452272.db2.gz MGXNWSSVSXUQCS-SUMWQHHRSA-N 1 3 307.413 2.522 20 0 DFADHO COc1cc(CN2CCC([C@H](C)[NH3+])CC2)c(SC)cc1OC ZINC000347114513 428452409 /nfs/dbraw/zinc/45/24/09/428452409.db2.gz TXSDCETYIRMMSE-LBPRGKRZSA-N 1 3 324.490 2.985 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414927627 428460104 /nfs/dbraw/zinc/46/01/04/428460104.db2.gz MFUOPZBNBXPOLU-RDTXWAMCSA-N 1 3 321.896 2.892 20 0 DFADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414927615 428460782 /nfs/dbraw/zinc/46/07/82/428460782.db2.gz MFUOPZBNBXPOLU-KBXCAEBGSA-N 1 3 321.896 2.892 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414947226 428467042 /nfs/dbraw/zinc/46/70/42/428467042.db2.gz VSWWFHDFDMHZJM-FVQBIDKESA-N 1 3 306.450 2.613 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414949000 428469257 /nfs/dbraw/zinc/46/92/57/428469257.db2.gz ZGMXFEWYBXZTQL-KDOFPFPSSA-N 1 3 321.896 2.892 20 0 DFADHO CC[NH2+]CC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000347034817 428415647 /nfs/dbraw/zinc/41/56/47/428415647.db2.gz CUIPRIHMJQLSIO-UHFFFAOYSA-N 1 3 302.466 2.503 20 0 DFADHO CCCOc1cc(CN2CCC(C[NH2+]C)CC2)ccc1OC ZINC000347035300 428415988 /nfs/dbraw/zinc/41/59/88/428415988.db2.gz GNMLXUVIPWVTKN-UHFFFAOYSA-N 1 3 306.450 2.915 20 0 DFADHO CCCC[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000414811916 428418459 /nfs/dbraw/zinc/41/84/59/428418459.db2.gz JUFFMVZCWDGYCC-UKRRQHHQSA-N 1 3 307.438 2.519 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCNC2)cc1OC ZINC000414820461 428422729 /nfs/dbraw/zinc/42/27/29/428422729.db2.gz JLXIJKAHCFVVBB-OFQRWUPVSA-N 1 3 306.450 2.613 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414820461 428422736 /nfs/dbraw/zinc/42/27/36/428422736.db2.gz JLXIJKAHCFVVBB-OFQRWUPVSA-N 1 3 306.450 2.613 20 0 DFADHO C[C@@H]([NH3+])CCNCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414826474 428423789 /nfs/dbraw/zinc/42/37/89/428423789.db2.gz VZUXVTFARKHLDW-SNVBAGLBSA-N 1 3 312.339 2.922 20 0 DFADHO C[C@@H](CC(=O)N1CCCCCC1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414830045 428428144 /nfs/dbraw/zinc/42/81/44/428428144.db2.gz AKGHXUFIBGXUAE-DOTOQJQBSA-N 1 3 309.498 2.665 20 0 DFADHO Fc1ccc(Br)c(F)c1CNCC[C@@H]1CC[NH2+]C1 ZINC000414842984 428429442 /nfs/dbraw/zinc/42/94/42/428429442.db2.gz ZYQJPKWXACRYGC-VIFPVBQESA-N 1 3 319.193 2.817 20 0 DFADHO COc1c(Br)cccc1CNCC[C@H]1CC[NH2+]C1 ZINC000414837088 428431343 /nfs/dbraw/zinc/43/13/43/428431343.db2.gz UDGYOCGSZXHTIA-LLVKDONJSA-N 1 3 313.239 2.547 20 0 DFADHO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC1=CCN(C)CC1 ZINC000392185009 428481645 /nfs/dbraw/zinc/48/16/45/428481645.db2.gz CNNXKAYETMKWTR-AWEZNQCLSA-N 1 3 311.470 2.531 20 0 DFADHO COc1ccc([C@@H](C)C[NH+]2CCC(N(C)C[C@@H](C)O)CC2)cc1 ZINC000342919314 428490492 /nfs/dbraw/zinc/49/04/92/428490492.db2.gz UCDJGASLHKXKLE-JKSUJKDBSA-N 1 3 320.477 2.576 20 0 DFADHO c1ccc(CC(Cc2ccccc2)[NH2+]C[C@H]2CNCCCO2)cc1 ZINC000415031369 428494236 /nfs/dbraw/zinc/49/42/36/428494236.db2.gz DWCNTLLLSKVVPD-OAQYLSRUSA-N 1 3 324.468 2.809 20 0 DFADHO c1ccc(CC(Cc2ccccc2)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000415031369 428494240 /nfs/dbraw/zinc/49/42/40/428494240.db2.gz DWCNTLLLSKVVPD-OAQYLSRUSA-N 1 3 324.468 2.809 20 0 DFADHO c1cnn(-c2ccc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)c1 ZINC000415037626 428496688 /nfs/dbraw/zinc/49/66/88/428496688.db2.gz GWOYIIYFQSLYQP-MJGOQNOKSA-N 1 3 310.445 2.836 20 0 DFADHO CC(C)N(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000360933049 428496770 /nfs/dbraw/zinc/49/67/70/428496770.db2.gz IDNJGWJLJCIGHD-PKOBYXMFSA-N 1 3 303.494 2.827 20 0 DFADHO CCOc1cccc(CN[C@H]2CC[C@@H](C[NH3+])C2)c1OC(F)F ZINC000415040729 428497598 /nfs/dbraw/zinc/49/75/98/428497598.db2.gz PFLQZVCLXLCTBF-YPMHNXCESA-N 1 3 314.376 2.904 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)N[C@H](C[NH3+])C1CCCC1 ZINC000415044258 428498501 /nfs/dbraw/zinc/49/85/01/428498501.db2.gz BOHNAUSXCKSNHZ-BLLLJJGKSA-N 1 3 307.413 2.650 20 0 DFADHO COc1ccc(C2CCC(NC[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000415042638 428498591 /nfs/dbraw/zinc/49/85/91/428498591.db2.gz QTXHVCKQAIIOOY-KVWWFHCMSA-N 1 3 318.461 2.690 20 0 DFADHO COc1ccc(C[C@@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000415052626 428500703 /nfs/dbraw/zinc/50/07/03/428500703.db2.gz ILDKOLOPQGGWQG-HBUWYVDXSA-N 1 3 306.450 2.552 20 0 DFADHO O=c1[nH]c2ccccc2cc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415053656 428500816 /nfs/dbraw/zinc/50/08/16/428500816.db2.gz OZCYIRZPEAMJJY-MAUKXSAKSA-N 1 3 311.429 2.904 20 0 DFADHO CN(CCC1(O)CCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000396917069 428504749 /nfs/dbraw/zinc/50/47/49/428504749.db2.gz OADBACUCLLHANY-GOSISDBHSA-N 1 3 302.462 2.745 20 0 DFADHO CN(CCC1(O)CCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000396917069 428504751 /nfs/dbraw/zinc/50/47/51/428504751.db2.gz OADBACUCLLHANY-GOSISDBHSA-N 1 3 302.462 2.745 20 0 DFADHO Cc1[nH]nc2ncc(CN[C@@H](CCC[NH3+])c3ccccc3)cc12 ZINC000415061555 428506083 /nfs/dbraw/zinc/50/60/83/428506083.db2.gz YMCDPTONIOEGSC-KRWDZBQOSA-N 1 3 309.417 2.836 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NCCC[NH2+]C2CC2)c(C)c1 ZINC000415067922 428508652 /nfs/dbraw/zinc/50/86/52/428508652.db2.gz LQJZMDZWVHDAFQ-OAHLLOKOSA-N 1 3 303.450 2.752 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCNC2CC2)c(C)c1 ZINC000415067922 428508658 /nfs/dbraw/zinc/50/86/58/428508658.db2.gz LQJZMDZWVHDAFQ-OAHLLOKOSA-N 1 3 303.450 2.752 20 0 DFADHO CC1CCN([C@H](CN[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000415074903 428508916 /nfs/dbraw/zinc/50/89/16/428508916.db2.gz AYWBFNBJAYSYEH-HZPDHXFCSA-N 1 3 307.507 2.863 20 0 DFADHO C[C@@H](NCC1(c2ccccc2Cl)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000415074948 428510383 /nfs/dbraw/zinc/51/03/83/428510383.db2.gz DCRMSGHTCIEMAA-HUUCEWRRSA-N 1 3 322.880 2.976 20 0 DFADHO C[C@H](C[C@H]1CCC[NH2+]1)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000415079167 428513254 /nfs/dbraw/zinc/51/32/54/428513254.db2.gz HSASFWCMPXOWOD-GPMSIDNRSA-N 1 3 316.493 2.727 20 0 DFADHO Brc1ccc([C@@H]2CCCN2CC2CC[NH2+]CC2)nc1 ZINC000415091145 428515132 /nfs/dbraw/zinc/51/51/32/428515132.db2.gz BTCLTFLECBJRIO-HNNXBMFYSA-N 1 3 324.266 2.981 20 0 DFADHO COc1ccc(C(C)(C)CN[C@H]2CCC[NH2+]CC2)cc1OC ZINC000415087265 428515439 /nfs/dbraw/zinc/51/54/39/428515439.db2.gz VTUQHMATZBXCGJ-HNNXBMFYSA-N 1 3 306.450 2.713 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@H]2CCCNCC2)cc1OC ZINC000415087265 428515446 /nfs/dbraw/zinc/51/54/46/428515446.db2.gz VTUQHMATZBXCGJ-HNNXBMFYSA-N 1 3 306.450 2.713 20 0 DFADHO COCc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1F ZINC000353386187 428515484 /nfs/dbraw/zinc/51/54/84/428515484.db2.gz LPVFAOHKCFETMI-CGTJXYLNSA-N 1 3 306.425 2.935 20 0 DFADHO COCc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1F ZINC000353386187 428515489 /nfs/dbraw/zinc/51/54/89/428515489.db2.gz LPVFAOHKCFETMI-CGTJXYLNSA-N 1 3 306.425 2.935 20 0 DFADHO COCc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)ccc1F ZINC000353386187 428515496 /nfs/dbraw/zinc/51/54/96/428515496.db2.gz LPVFAOHKCFETMI-CGTJXYLNSA-N 1 3 306.425 2.935 20 0 DFADHO CC(C)C[C@H](N)C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000415103633 428522206 /nfs/dbraw/zinc/52/22/06/428522206.db2.gz KRAOJWYYEAGDKZ-ZDUSSCGKSA-N 1 3 304.463 2.711 20 0 DFADHO CCOc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415121255 428525689 /nfs/dbraw/zinc/52/56/89/428525689.db2.gz HWDZWBSNPBZWLL-PKOBYXMFSA-N 1 3 318.461 2.804 20 0 DFADHO c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3NCCc4ccccc43)CCN2)cc1 ZINC000414960671 428472754 /nfs/dbraw/zinc/47/27/54/428472754.db2.gz UKJORSXQDSDYDL-GIVPXCGWSA-N 1 3 321.468 2.956 20 0 DFADHO c1ccc([C@@H]2C[C@H](NC[C@@H]3NCCc4ccccc43)CC[NH2+]2)cc1 ZINC000414960671 428472761 /nfs/dbraw/zinc/47/27/61/428472761.db2.gz UKJORSXQDSDYDL-GIVPXCGWSA-N 1 3 321.468 2.956 20 0 DFADHO c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3NCCc4ccccc43)CCN2)cc1 ZINC000414960682 428472958 /nfs/dbraw/zinc/47/29/58/428472958.db2.gz UKJORSXQDSDYDL-SESVDKBCSA-N 1 3 321.468 2.956 20 0 DFADHO c1ccc([C@@H]2C[C@@H](NC[C@H]3NCCc4ccccc43)CC[NH2+]2)cc1 ZINC000414960682 428472963 /nfs/dbraw/zinc/47/29/63/428472963.db2.gz UKJORSXQDSDYDL-SESVDKBCSA-N 1 3 321.468 2.956 20 0 DFADHO COCC1(CNCc2cccc(Cl)c2F)CC[NH2+]CC1 ZINC000414975363 428476961 /nfs/dbraw/zinc/47/69/61/428476961.db2.gz NYRIHKHZZUBLAO-UHFFFAOYSA-N 1 3 300.805 2.585 20 0 DFADHO CCOc1c(CNCCC[C@H]2CCC[NH2+]2)c(C)nn1CC(C)C ZINC000414975495 428478660 /nfs/dbraw/zinc/47/86/60/428478660.db2.gz OQKJAMOPEZCLQP-INIZCTEOSA-N 1 3 322.497 2.868 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCC(C(N)=O)CC3)CC2)C1 ZINC000358185315 428587471 /nfs/dbraw/zinc/58/74/71/428587471.db2.gz YHKLISFTWMQEJC-YHOLWWCESA-N 1 3 321.509 2.663 20 0 DFADHO CC1CC[NH+](CCN(C)CCCN(C)Cc2ccco2)CC1 ZINC000353554187 428589403 /nfs/dbraw/zinc/58/94/03/428589403.db2.gz IKIRPNFIUISZKR-UHFFFAOYSA-N 1 3 307.482 2.765 20 0 DFADHO Cn1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000343186109 428535363 /nfs/dbraw/zinc/53/53/63/428535363.db2.gz MQBGYTNGRAWOIY-UHFFFAOYSA-N 1 3 313.445 2.790 20 0 DFADHO COCCSCCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000373292752 428539459 /nfs/dbraw/zinc/53/94/59/428539459.db2.gz KQHVRGKWNSWMRF-MRXNPFEDSA-N 1 3 300.512 2.564 20 0 DFADHO COCCSCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000373292752 428539465 /nfs/dbraw/zinc/53/94/65/428539465.db2.gz KQHVRGKWNSWMRF-MRXNPFEDSA-N 1 3 300.512 2.564 20 0 DFADHO COCCSCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000373292752 428539468 /nfs/dbraw/zinc/53/94/68/428539468.db2.gz KQHVRGKWNSWMRF-MRXNPFEDSA-N 1 3 300.512 2.564 20 0 DFADHO CC(C)[C@H](CN(C)Cc1ccccc1)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400454638 428546082 /nfs/dbraw/zinc/54/60/82/428546082.db2.gz RZRALHZIDPUAQX-UHOSZYNNSA-N 1 3 303.494 2.873 20 0 DFADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000357774836 428563311 /nfs/dbraw/zinc/56/33/11/428563311.db2.gz ZNGLYXQOMDMWHX-GVDBMIGSSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000357774836 428563314 /nfs/dbraw/zinc/56/33/14/428563314.db2.gz ZNGLYXQOMDMWHX-GVDBMIGSSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N1CCCCCC1 ZINC000357812975 428564842 /nfs/dbraw/zinc/56/48/42/428564842.db2.gz VEBSDJSVIWGFGW-SJORKVTESA-N 1 3 323.525 2.878 20 0 DFADHO C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N1CCCCCC1 ZINC000357812975 428564846 /nfs/dbraw/zinc/56/48/46/428564846.db2.gz VEBSDJSVIWGFGW-SJORKVTESA-N 1 3 323.525 2.878 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000353501362 428568734 /nfs/dbraw/zinc/56/87/34/428568734.db2.gz MOQYKKQJGKLAGK-SJLPKXTDSA-N 1 3 319.493 2.790 20 0 DFADHO CCOc1cccc(CN2CCC(OCC[NH+](C)C)CC2)c1 ZINC000353516342 428572992 /nfs/dbraw/zinc/57/29/92/428572992.db2.gz GSMWCBVMZGCTFI-UHFFFAOYSA-N 1 3 306.450 2.628 20 0 DFADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccccc1CCN(C)C ZINC000415559843 428596903 /nfs/dbraw/zinc/59/69/03/428596903.db2.gz FHVICSJGESBSNG-SFHVURJKSA-N 1 3 320.481 2.676 20 0 DFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccccc1CCN(C)C ZINC000415584395 428598508 /nfs/dbraw/zinc/59/85/08/428598508.db2.gz WMSUEXRLTXDXGI-MRXNPFEDSA-N 1 3 320.481 2.628 20 0 DFADHO C[C@H](CCC(F)(F)F)[NH2+]Cc1ccncc1OCCN(C)C ZINC000343974320 428599528 /nfs/dbraw/zinc/59/95/28/428599528.db2.gz GBCKAQOYAWONPU-GFCCVEGCSA-N 1 3 319.371 2.843 20 0 DFADHO Cc1ccc(C[C@@H]([NH2+]CC2(O)CCN(C)CC2)C(C)C)cc1 ZINC000361888995 428603724 /nfs/dbraw/zinc/60/37/24/428603724.db2.gz NERLFLLTUHTLNK-GOSISDBHSA-N 1 3 304.478 2.608 20 0 DFADHO c1cc(CCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000373603313 428618752 /nfs/dbraw/zinc/61/87/52/428618752.db2.gz IUVMYYYWWNXFRJ-ZWKOTPCHSA-N 1 3 300.446 2.771 20 0 DFADHO c1cc(CCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000373603313 428618755 /nfs/dbraw/zinc/61/87/55/428618755.db2.gz IUVMYYYWWNXFRJ-ZWKOTPCHSA-N 1 3 300.446 2.771 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccccc2-n2cccn2)[C@H]2CCC[C@@H]21 ZINC000353622604 428625747 /nfs/dbraw/zinc/62/57/47/428625747.db2.gz OLUSSWDDFOWAGK-AOIWGVFYSA-N 1 3 310.445 2.835 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccccc2-n2cccn2)[C@H]2CCC[C@@H]21 ZINC000353622604 428625753 /nfs/dbraw/zinc/62/57/53/428625753.db2.gz OLUSSWDDFOWAGK-AOIWGVFYSA-N 1 3 310.445 2.835 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000353623176 428628169 /nfs/dbraw/zinc/62/81/69/428628169.db2.gz ODPVZIIVHPPAAA-RYQLBKOJSA-N 1 3 324.472 2.767 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000353623176 428628174 /nfs/dbraw/zinc/62/81/74/428628174.db2.gz ODPVZIIVHPPAAA-RYQLBKOJSA-N 1 3 324.472 2.767 20 0 DFADHO CNCc1cccc(NC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000415928432 428628707 /nfs/dbraw/zinc/62/87/07/428628707.db2.gz HOUNMZDXCBWMRE-UHFFFAOYSA-N 1 3 306.454 2.648 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)CCN1Cc1ccccc1 ZINC000353652343 428641185 /nfs/dbraw/zinc/64/11/85/428641185.db2.gz WIOCEMDAIJCGAC-NJAFHUGGSA-N 1 3 324.472 2.910 20 0 DFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415994199 428644645 /nfs/dbraw/zinc/64/46/45/428644645.db2.gz HGLIMFYEAGCGGM-KRWDZBQOSA-N 1 3 316.449 2.628 20 0 DFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415994199 428644650 /nfs/dbraw/zinc/64/46/50/428644650.db2.gz HGLIMFYEAGCGGM-KRWDZBQOSA-N 1 3 316.449 2.628 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000362184363 428653239 /nfs/dbraw/zinc/65/32/39/428653239.db2.gz IGTGUKRAZQTNOG-MAUKXSAKSA-N 1 3 302.462 2.969 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000362184363 428653241 /nfs/dbraw/zinc/65/32/41/428653241.db2.gz IGTGUKRAZQTNOG-MAUKXSAKSA-N 1 3 302.462 2.969 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000271865933 274354501 /nfs/dbraw/zinc/35/45/01/274354501.db2.gz LLEQZWALNBWPFF-XLIONFOSSA-N 1 3 313.489 2.749 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000353658296 274355205 /nfs/dbraw/zinc/35/52/05/274355205.db2.gz KWLVRWFZNKVSEM-KBAYOESNSA-N 1 3 324.472 2.767 20 0 DFADHO CCC[C@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353753637 428696704 /nfs/dbraw/zinc/69/67/04/428696704.db2.gz MCTLREPFHZMMQJ-NXHRZFHOSA-N 1 3 317.477 2.531 20 0 DFADHO CCC[C@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353753637 428696708 /nfs/dbraw/zinc/69/67/08/428696708.db2.gz MCTLREPFHZMMQJ-NXHRZFHOSA-N 1 3 317.477 2.531 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000362312199 428699621 /nfs/dbraw/zinc/69/96/21/428699621.db2.gz HZRDIXVNUPZHKD-ROUUACIJSA-N 1 3 323.525 2.687 20 0 DFADHO CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000353795594 428720003 /nfs/dbraw/zinc/72/00/03/428720003.db2.gz NCNNEURZMNDNSF-GOEBONIOSA-N 1 3 309.498 2.532 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000374497745 428686914 /nfs/dbraw/zinc/68/69/14/428686914.db2.gz RUFATZVCNMPUNC-KYNGSXCRSA-N 1 3 318.461 2.845 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC(CC[NH+](C)C)CC1)N1CCCCC1 ZINC000353959184 428793260 /nfs/dbraw/zinc/79/32/60/428793260.db2.gz COVGKIVOIVKKHT-SFHVURJKSA-N 1 3 323.525 2.687 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCN2C[C@H](C)C[C@@H](C)C2)[C@@H]1C ZINC000353934843 428784576 /nfs/dbraw/zinc/78/45/76/428784576.db2.gz YOZOQGHNYIHICC-DZVNLGKHSA-N 1 3 324.509 2.922 20 0 DFADHO COc1cc(CNCC2=CC[N@H+](C)CC2)cc(Cl)c1OC ZINC000345182878 428788215 /nfs/dbraw/zinc/78/82/15/428788215.db2.gz HQWACCZHHPPTRB-UHFFFAOYSA-N 1 3 310.825 2.709 20 0 DFADHO COc1cc(CNCC2=CC[N@@H+](C)CC2)cc(Cl)c1OC ZINC000345182878 428788219 /nfs/dbraw/zinc/78/82/19/428788219.db2.gz HQWACCZHHPPTRB-UHFFFAOYSA-N 1 3 310.825 2.709 20 0 DFADHO C[C@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000411117641 428742161 /nfs/dbraw/zinc/74/21/61/428742161.db2.gz LXCNHDSDEFIUQB-HKUYNNGSSA-N 1 3 301.478 2.677 20 0 DFADHO C[C@H]1CN(CC[C@@H]2CCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000411117641 428742163 /nfs/dbraw/zinc/74/21/63/428742163.db2.gz LXCNHDSDEFIUQB-HKUYNNGSSA-N 1 3 301.478 2.677 20 0 DFADHO COC(=O)[C@@H](C)CN(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411172754 428752145 /nfs/dbraw/zinc/75/21/45/428752145.db2.gz MWIJXDHPRDLLFI-INIZCTEOSA-N 1 3 318.461 2.913 20 0 DFADHO C[N@H+](C[C@H]1CC12CCN(Cc1ccc(F)nc1)CC2)C1CC1 ZINC000375298137 428845403 /nfs/dbraw/zinc/84/54/03/428845403.db2.gz SKILRXWGLSHGGC-OAHLLOKOSA-N 1 3 303.425 2.917 20 0 DFADHO C[N@@H+](C[C@H]1CC12CCN(Cc1ccc(F)nc1)CC2)C1CC1 ZINC000375298137 428845410 /nfs/dbraw/zinc/84/54/10/428845410.db2.gz SKILRXWGLSHGGC-OAHLLOKOSA-N 1 3 303.425 2.917 20 0 DFADHO C[C@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000411456177 428799367 /nfs/dbraw/zinc/79/93/67/428799367.db2.gz YWZMTACGGRYDPS-LPHOPBHVSA-N 1 3 302.462 2.875 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)N(C)C)CCN1Cc1ccccc1 ZINC000359113296 428822561 /nfs/dbraw/zinc/82/25/61/428822561.db2.gz IKIIHHXBDIHNCR-UXPWSPDFSA-N 1 3 315.505 2.969 20 0 DFADHO CO[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1OC ZINC000411628618 428828385 /nfs/dbraw/zinc/82/83/85/428828385.db2.gz WMBRIJLQKMKZQU-KDURUIRLSA-N 1 3 318.461 2.518 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000354191846 428907013 /nfs/dbraw/zinc/90/70/13/428907013.db2.gz RCRYRYFPJORKBD-QGZVFWFLSA-N 1 3 303.450 2.604 20 0 DFADHO CC(C)[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000354095191 428860977 /nfs/dbraw/zinc/86/09/77/428860977.db2.gz YXNLJOSJYZRIAX-SJLPKXTDSA-N 1 3 323.456 2.744 20 0 DFADHO CC(C)[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000354095191 428860982 /nfs/dbraw/zinc/86/09/82/428860982.db2.gz YXNLJOSJYZRIAX-SJLPKXTDSA-N 1 3 323.456 2.744 20 0 DFADHO CC(C)N(CCC1CC[NH2+]CC1)CC(=O)Nc1ccc(F)cc1 ZINC000359220579 428871439 /nfs/dbraw/zinc/87/14/39/428871439.db2.gz WQZBYZYOAJKNDZ-UHFFFAOYSA-N 1 3 321.440 2.864 20 0 DFADHO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCCN(C)C ZINC000354133334 428878926 /nfs/dbraw/zinc/87/89/26/428878926.db2.gz DBYQGYXNBDJKCK-MSOLQXFVSA-N 1 3 320.477 2.922 20 0 DFADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000354135687 428880535 /nfs/dbraw/zinc/88/05/35/428880535.db2.gz ZNOKUIIFDQLUJC-MHORFTMASA-N 1 3 312.498 2.671 20 0 DFADHO C[N@@H+]1CCC[C@@]2(CCN(Cc3cc(-n4ccnc4)cs3)C2)C1 ZINC000354176760 428898975 /nfs/dbraw/zinc/89/89/75/428898975.db2.gz LTYHDROLAULHOI-QGZVFWFLSA-N 1 3 316.474 2.852 20 0 DFADHO C[N@H+]1CCC[C@@]2(CCN(Cc3cc(-n4ccnc4)cs3)C2)C1 ZINC000354176760 428898980 /nfs/dbraw/zinc/89/89/80/428898980.db2.gz LTYHDROLAULHOI-QGZVFWFLSA-N 1 3 316.474 2.852 20 0 DFADHO CCc1cnc(CN(CC[NH+](C)C)C[C@H]2CCCN2CC)s1 ZINC000349061322 428912648 /nfs/dbraw/zinc/91/26/48/428912648.db2.gz ITDAWGUHJDELHE-OAHLLOKOSA-N 1 3 324.538 2.553 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(F)c1 ZINC000349064569 428912681 /nfs/dbraw/zinc/91/26/81/428912681.db2.gz VLXVLFGSQWHCHM-SFHVURJKSA-N 1 3 307.457 2.674 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(F)c1 ZINC000349064569 428912683 /nfs/dbraw/zinc/91/26/83/428912683.db2.gz VLXVLFGSQWHCHM-SFHVURJKSA-N 1 3 307.457 2.674 20 0 DFADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC000345586292 428946896 /nfs/dbraw/zinc/94/68/96/428946896.db2.gz NZQJRLXMPKFLLC-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC000345586292 428946900 /nfs/dbraw/zinc/94/69/00/428946900.db2.gz NZQJRLXMPKFLLC-SJLPKXTDSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N1[C@H](C)CC[C@@H]1C ZINC000412125080 428959964 /nfs/dbraw/zinc/95/99/64/428959964.db2.gz GLKMXBIGTAKGDK-FZKCQIBNSA-N 1 3 311.514 2.730 20 0 DFADHO C[C@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N1[C@H](C)CC[C@@H]1C ZINC000412125085 428960081 /nfs/dbraw/zinc/96/00/81/428960081.db2.gz GLKMXBIGTAKGDK-QXSJWSMHSA-N 1 3 311.514 2.730 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@@H](O)C(F)(F)F)CC1 ZINC000349336714 428965018 /nfs/dbraw/zinc/96/50/18/428965018.db2.gz XOMJDDRYWZDJAD-VHDGCEQUSA-N 1 3 322.415 2.932 20 0 DFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@@H](O)C(F)(F)F)CC1 ZINC000349336714 428965020 /nfs/dbraw/zinc/96/50/20/428965020.db2.gz XOMJDDRYWZDJAD-VHDGCEQUSA-N 1 3 322.415 2.932 20 0 DFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423777702 429016294 /nfs/dbraw/zinc/01/62/94/429016294.db2.gz SBUYALSDBYKWPA-RDJZCZTQSA-N 1 3 319.493 2.949 20 0 DFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423777702 429016300 /nfs/dbraw/zinc/01/63/00/429016300.db2.gz SBUYALSDBYKWPA-RDJZCZTQSA-N 1 3 319.493 2.949 20 0 DFADHO C[C@@H]1CCN[C@@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000423782577 429019090 /nfs/dbraw/zinc/01/90/90/429019090.db2.gz ZIQBWACLHFSHGZ-CRAIPNDOSA-N 1 3 315.461 2.652 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000423788459 429021480 /nfs/dbraw/zinc/02/14/80/429021480.db2.gz SHGUNBCBKFXIDQ-JQHSSLGASA-N 1 3 315.461 2.916 20 0 DFADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000375795290 428975961 /nfs/dbraw/zinc/97/59/61/428975961.db2.gz WVUSEENKWYLZHJ-QGZVFWFLSA-N 1 3 314.433 2.517 20 0 DFADHO CCc1ccc([C@H](O)CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375897128 429011953 /nfs/dbraw/zinc/01/19/53/429011953.db2.gz DJEKRPFJFNDABN-AKHDSKFASA-N 1 3 302.462 2.745 20 0 DFADHO CCc1ccc([C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375897128 429011958 /nfs/dbraw/zinc/01/19/58/429011958.db2.gz DJEKRPFJFNDABN-AKHDSKFASA-N 1 3 302.462 2.745 20 0 DFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCCN1C1CCCC1 ZINC000433231951 429012309 /nfs/dbraw/zinc/01/23/09/429012309.db2.gz ZJSOEZXPMWTYQU-SQNIBIBYSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCCN1C1CCCC1 ZINC000433231951 429012314 /nfs/dbraw/zinc/01/23/14/429012314.db2.gz ZJSOEZXPMWTYQU-SQNIBIBYSA-N 1 3 319.493 2.527 20 0 DFADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423450432 429089099 /nfs/dbraw/zinc/08/90/99/429089099.db2.gz SXIQKMLQLLGRPY-GUBZILKMSA-N 1 3 318.202 2.678 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000423460807 429090255 /nfs/dbraw/zinc/09/02/55/429090255.db2.gz BLLBVAZGNFENCF-AETAKHFUSA-N 1 3 306.425 2.676 20 0 DFADHO COC[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000423462716 429090400 /nfs/dbraw/zinc/09/04/00/429090400.db2.gz DXHRNNSVDXVZFC-CGTJXYLNSA-N 1 3 306.425 2.533 20 0 DFADHO COC[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000423462716 429090404 /nfs/dbraw/zinc/09/04/04/429090404.db2.gz DXHRNNSVDXVZFC-CGTJXYLNSA-N 1 3 306.425 2.533 20 0 DFADHO Cc1c([C@H](C)NC[C@@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccccc1 ZINC000423456809 429090879 /nfs/dbraw/zinc/09/08/79/429090879.db2.gz HGLNSQQGTZQWQU-NUEKZKHPSA-N 1 3 313.449 2.744 20 0 DFADHO Cc1ccnc(C2CC[NH+](CC[C@H]3CCCCN3C)CC2)n1 ZINC000376295851 429091390 /nfs/dbraw/zinc/09/13/90/429091390.db2.gz JJVMSBFHVGWJOB-QGZVFWFLSA-N 1 3 302.466 2.839 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424138617 429097826 /nfs/dbraw/zinc/09/78/26/429097826.db2.gz CSYFDPBMADCZEQ-QGPMSJSTSA-N 1 3 321.509 2.663 20 0 DFADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000423475725 429094776 /nfs/dbraw/zinc/09/47/76/429094776.db2.gz RYUHVCDSQBZRQE-HIFRSBDPSA-N 1 3 306.454 2.948 20 0 DFADHO CO[C@@H]1CCC[N@@H+](C/C=C/CN2CCC[C@H](OC)CC2)CC1 ZINC000376066571 429051254 /nfs/dbraw/zinc/05/12/54/429051254.db2.gz ICLZLBCFOLQHQY-GEWVGOBGSA-N 1 3 310.482 2.544 20 0 DFADHO CO[C@@H]1CCC[N@H+](C/C=C/CN2CCC[C@H](OC)CC2)CC1 ZINC000376066571 429051259 /nfs/dbraw/zinc/05/12/59/429051259.db2.gz ICLZLBCFOLQHQY-GEWVGOBGSA-N 1 3 310.482 2.544 20 0 DFADHO CO[C@@H]1CCCN(C/C=C/C[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000376066571 429051262 /nfs/dbraw/zinc/05/12/62/429051262.db2.gz ICLZLBCFOLQHQY-GEWVGOBGSA-N 1 3 310.482 2.544 20 0 DFADHO CO[C@@H]1CCCN(C/C=C/C[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000376066571 429051265 /nfs/dbraw/zinc/05/12/65/429051265.db2.gz ICLZLBCFOLQHQY-GEWVGOBGSA-N 1 3 310.482 2.544 20 0 DFADHO CCC(N)(CC)C[NH2+][C@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000423287575 429057176 /nfs/dbraw/zinc/05/71/76/429057176.db2.gz MZWKVFJBUXGWGQ-CQSZACIVSA-N 1 3 305.466 2.533 20 0 DFADHO CCC([NH3+])(CC)CN[C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000423287270 429057430 /nfs/dbraw/zinc/05/74/30/429057430.db2.gz LEQUKGZQQIEXPR-OAHLLOKOSA-N 1 3 307.482 2.795 20 0 DFADHO CCC(N)(CC)C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423286910 429058592 /nfs/dbraw/zinc/05/85/92/429058592.db2.gz JJOLEGFXAMVHMB-QGZVFWFLSA-N 1 3 315.465 2.825 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](N)C(C)C)c2ccccc21 ZINC000423284058 429058829 /nfs/dbraw/zinc/05/88/29/429058829.db2.gz XNBVXJHIAAPEOS-ZACQAIPSSA-N 1 3 304.434 2.741 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000423309586 429059701 /nfs/dbraw/zinc/05/97/01/429059701.db2.gz QGVOFFCCGMCCCI-BEFAXECRSA-N 1 3 323.440 2.711 20 0 DFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423318637 429062486 /nfs/dbraw/zinc/06/24/86/429062486.db2.gz CRKKXADVAJOQEW-BRWVUGGUSA-N 1 3 323.525 2.639 20 0 DFADHO C[C@H](Cc1ccc(F)cc1Br)NC[C@@H]([NH3+])C1CC1 ZINC000423311551 429063712 /nfs/dbraw/zinc/06/37/12/429063712.db2.gz BYPNQQKDWJNTJA-YMTOWFKASA-N 1 3 315.230 2.846 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000423344016 429069810 /nfs/dbraw/zinc/06/98/10/429069810.db2.gz DXVZPAMGXMULTM-YJBOKZPZSA-N 1 3 315.461 2.797 20 0 DFADHO Cc1c([C@@H](C)NCCCC[NH3+])nnn1-c1cccc(Cl)c1 ZINC000423343345 429070150 /nfs/dbraw/zinc/07/01/50/429070150.db2.gz VYSSISBTZSYUQY-LLVKDONJSA-N 1 3 307.829 2.619 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CCOCC1 ZINC000423483291 429097251 /nfs/dbraw/zinc/09/72/51/429097251.db2.gz YWXLCGCIGQZOFP-UCLAIMLFSA-N 1 3 320.452 2.924 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423391286 429078536 /nfs/dbraw/zinc/07/85/36/429078536.db2.gz KQVRCBCNZTUGRS-KJWYOANISA-N 1 3 306.425 2.881 20 0 DFADHO CCN(Cc1ccc(C(=O)NC(C)(C)CC[NH3+])cc1)C1CC1 ZINC000424044888 429081586 /nfs/dbraw/zinc/08/15/86/429081586.db2.gz GDYRCXMYZZVVCL-UHFFFAOYSA-N 1 3 303.450 2.528 20 0 DFADHO COC[C@]1(CNC2CCC(OC3CCCC3)CC2)CCC[NH2+]1 ZINC000423409481 429083125 /nfs/dbraw/zinc/08/31/25/429083125.db2.gz BRVWADVSXTXYLF-VMWRSERWSA-N 1 3 310.482 2.615 20 0 DFADHO Cc1c([C@H](C)N[C@@H](C)CCCC[NH3+])nnn1-c1ccccc1 ZINC000423425829 429085043 /nfs/dbraw/zinc/08/50/43/429085043.db2.gz HGWPUSNQJZWGJG-KBPBESRZSA-N 1 3 301.438 2.744 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@H](C)CCCC[NH3+])cc1)C1CC1 ZINC000494691433 429143462 /nfs/dbraw/zinc/14/34/62/429143462.db2.gz PVSWXMQLLOOJJH-OAHLLOKOSA-N 1 3 317.477 2.918 20 0 DFADHO CC(C)[N@H+](C)CCCN[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000494695854 429145333 /nfs/dbraw/zinc/14/53/33/429145333.db2.gz YOWXLGAMUFXRSD-GJZGRUSLSA-N 1 3 313.486 2.752 20 0 DFADHO CC(C)[N@@H+](C)CCCN[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000494695854 429145337 /nfs/dbraw/zinc/14/53/37/429145337.db2.gz YOWXLGAMUFXRSD-GJZGRUSLSA-N 1 3 313.486 2.752 20 0 DFADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000494695854 429145343 /nfs/dbraw/zinc/14/53/43/429145343.db2.gz YOWXLGAMUFXRSD-GJZGRUSLSA-N 1 3 313.486 2.752 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN(C)[C@H]1CCC[NH2+]CC1 ZINC000435621860 429153980 /nfs/dbraw/zinc/15/39/80/429153980.db2.gz AUQMVRGNASOKCD-AWEZNQCLSA-N 1 3 307.413 2.537 20 0 DFADHO CCOc1ccccc1OCCN(CC)[C@H]1CCC[NH2+]CC1 ZINC000435625648 429154489 /nfs/dbraw/zinc/15/44/89/429154489.db2.gz IIHGRCUZFVTQFA-INIZCTEOSA-N 1 3 306.450 2.928 20 0 DFADHO C[C@@H]1C[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CCN1C ZINC000424139053 429099009 /nfs/dbraw/zinc/09/90/09/429099009.db2.gz DVAPAQPXHNYHTQ-OIISXLGYSA-N 1 3 309.498 2.663 20 0 DFADHO COC[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(Cl)c1F ZINC000423493134 429099718 /nfs/dbraw/zinc/09/97/18/429099718.db2.gz AVWPGKNAMNDFJX-GYSYKLTISA-N 1 3 300.805 2.884 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc1 ZINC000434671489 429105327 /nfs/dbraw/zinc/10/53/27/429105327.db2.gz UWMMNSWYRRYAKT-JKSUJKDBSA-N 1 3 317.477 2.741 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc1 ZINC000434671489 429105330 /nfs/dbraw/zinc/10/53/30/429105330.db2.gz UWMMNSWYRRYAKT-JKSUJKDBSA-N 1 3 317.477 2.741 20 0 DFADHO CCN1CC[C@@H](NC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)C1 ZINC000412829706 429108933 /nfs/dbraw/zinc/10/89/33/429108933.db2.gz ABHUXFCMPHOBIE-GOSISDBHSA-N 1 3 317.477 2.741 20 0 DFADHO CCN1CC[C@@H](NC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)C1 ZINC000412829706 429108937 /nfs/dbraw/zinc/10/89/37/429108937.db2.gz ABHUXFCMPHOBIE-GOSISDBHSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@H]1CC2(CN1Cc1cn3cc(Cl)ccc3n1)CC[NH2+]CC2 ZINC000424286611 429119537 /nfs/dbraw/zinc/11/95/37/429119537.db2.gz HLHCHWZVPOOALB-ZDUSSCGKSA-N 1 3 318.852 2.952 20 0 DFADHO C[C@H]1CC2(CN1Cc1cnn(-c3ccccc3)c1)CC[NH2+]CC2 ZINC000424301082 429122801 /nfs/dbraw/zinc/12/28/01/429122801.db2.gz WYQHFCZQIIBYBX-INIZCTEOSA-N 1 3 310.445 2.836 20 0 DFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1C ZINC000435130027 429125117 /nfs/dbraw/zinc/12/51/17/429125117.db2.gz PKHVJSVMOABZJL-ZIAGYGMSSA-N 1 3 302.422 2.974 20 0 DFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1C ZINC000435130027 429125122 /nfs/dbraw/zinc/12/51/22/429125122.db2.gz PKHVJSVMOABZJL-ZIAGYGMSSA-N 1 3 302.422 2.974 20 0 DFADHO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)ccc1OC(F)F ZINC000424375408 429132208 /nfs/dbraw/zinc/13/22/08/429132208.db2.gz JRZIUZNEDQEKIX-VXGBXAGGSA-N 1 3 300.349 2.656 20 0 DFADHO COc1cc(C)c(C[C@H](C)N[C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424381738 429133913 /nfs/dbraw/zinc/13/39/13/429133913.db2.gz ZMNOSOLYEVVWJU-NUEKZKHPSA-N 1 3 306.450 2.803 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)N(CCN(C)C)C2CCCC2)c1 ZINC000424438852 429140974 /nfs/dbraw/zinc/14/09/74/429140974.db2.gz QRDVCFMADUKOLG-UHFFFAOYSA-N 1 3 318.465 2.792 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363922266 429141352 /nfs/dbraw/zinc/14/13/52/429141352.db2.gz NZPXLQXOLGSQQG-ULQDDVLXSA-N 1 3 315.461 2.929 20 0 DFADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363922266 429141356 /nfs/dbraw/zinc/14/13/56/429141356.db2.gz NZPXLQXOLGSQQG-ULQDDVLXSA-N 1 3 315.461 2.929 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCNC)[C@H]2CCCC[C@@H]12 ZINC000435873149 429168818 /nfs/dbraw/zinc/16/88/18/429168818.db2.gz BKETXGNSQBKDHM-TXTZMMAHSA-N 1 3 323.525 2.780 20 0 DFADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCNC)[C@H]2CCCC[C@@H]12 ZINC000435873149 429168821 /nfs/dbraw/zinc/16/88/21/429168821.db2.gz BKETXGNSQBKDHM-TXTZMMAHSA-N 1 3 323.525 2.780 20 0 DFADHO C[NH2+]CCCN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000435876062 429169442 /nfs/dbraw/zinc/16/94/42/429169442.db2.gz GTUGFNCDIWYESI-UHFFFAOYSA-N 1 3 304.413 2.690 20 0 DFADHO C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCCN1C1CC1 ZINC000370083996 275394927 /nfs/dbraw/zinc/39/49/27/275394927.db2.gz SZLTXTYQYBMDBP-LJQANCHMSA-N 1 3 305.510 3.000 20 0 DFADHO C([C@H]1CC[N@H+](CC2CCC3(CC2)OCCO3)C1)N1CCCCC1 ZINC000190251930 275397863 /nfs/dbraw/zinc/39/78/63/275397863.db2.gz BGDULTZUWZSBBV-GOSISDBHSA-N 1 3 322.493 2.728 20 0 DFADHO C([C@H]1CC[N@@H+](CC2CCC3(CC2)OCCO3)C1)N1CCCCC1 ZINC000190251930 275397864 /nfs/dbraw/zinc/39/78/64/275397864.db2.gz BGDULTZUWZSBBV-GOSISDBHSA-N 1 3 322.493 2.728 20 0 DFADHO C([C@H]1CCN(CC2CCC3(CC2)OCCO3)C1)[NH+]1CCCCC1 ZINC000190251930 275397865 /nfs/dbraw/zinc/39/78/65/275397865.db2.gz BGDULTZUWZSBBV-GOSISDBHSA-N 1 3 322.493 2.728 20 0 DFADHO CC(=O)N1CCC([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000359100218 275447877 /nfs/dbraw/zinc/44/78/77/275447877.db2.gz AJNLLFLNQZPNCD-BEFAXECRSA-N 1 3 321.509 2.630 20 0 DFADHO CCOC(=O)N1CCC([C@@H](C)[NH2+]CCCN(CC)CC)CC1 ZINC000495658402 429240729 /nfs/dbraw/zinc/24/07/29/429240729.db2.gz OJGUMJMITLDNRL-OAHLLOKOSA-N 1 3 313.486 2.565 20 0 DFADHO [NH3+]CC[C@@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000442930092 429241246 /nfs/dbraw/zinc/24/12/46/429241246.db2.gz SPDOHWKPFGVSCF-AWEZNQCLSA-N 1 3 302.397 2.572 20 0 DFADHO CN(C)[C@@H](CNC(=O)C[N@H+](C)C1(C)CCCC1)c1ccccc1 ZINC000489886493 429266723 /nfs/dbraw/zinc/26/67/23/429266723.db2.gz MTXGZOSUJMGNJB-KRWDZBQOSA-N 1 3 317.477 2.670 20 0 DFADHO CN(C)[C@@H](CNC(=O)C[N@@H+](C)C1(C)CCCC1)c1ccccc1 ZINC000489886493 429266726 /nfs/dbraw/zinc/26/67/26/429266726.db2.gz MTXGZOSUJMGNJB-KRWDZBQOSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@@H](Cc1coc2ccccc12)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000449089952 429328413 /nfs/dbraw/zinc/32/84/13/429328413.db2.gz FOWRSGGUCJJABK-DOTOQJQBSA-N 1 3 316.445 2.800 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000449104128 429332992 /nfs/dbraw/zinc/33/29/92/429332992.db2.gz UHZXTJWAPGRMPH-BBWFWOEESA-N 1 3 310.482 2.567 20 0 DFADHO CCC[C@H](O)CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449142682 429342250 /nfs/dbraw/zinc/34/22/50/429342250.db2.gz GNHZIMCUROKIGB-APWZRJJASA-N 1 3 304.478 2.833 20 0 DFADHO CO[C@H](C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000425427835 429294341 /nfs/dbraw/zinc/29/43/41/429294341.db2.gz VJISGACIGXXIFL-JTDSTZFVSA-N 1 3 324.509 2.623 20 0 DFADHO CN(C)[C@@H]1CCC[N@H+](CCN2CCCc3ccccc32)CC1 ZINC000365404443 429313755 /nfs/dbraw/zinc/31/37/55/429313755.db2.gz PVVZEQWJRVKVLR-GOSISDBHSA-N 1 3 301.478 2.855 20 0 DFADHO CN(C)[C@@H]1CCC[N@@H+](CCN2CCCc3ccccc32)CC1 ZINC000365404443 429313759 /nfs/dbraw/zinc/31/37/59/429313759.db2.gz PVVZEQWJRVKVLR-GOSISDBHSA-N 1 3 301.478 2.855 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+]CCC(C)(F)F)CC1 ZINC000449355044 429395940 /nfs/dbraw/zinc/39/59/40/429395940.db2.gz USAKZJMBKBNNML-UHFFFAOYSA-N 1 3 311.420 2.963 20 0 DFADHO CC(C)CN(CCN(C)C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426492077 429398204 /nfs/dbraw/zinc/39/82/04/429398204.db2.gz NGJLAXBPZJNLOT-UHFFFAOYSA-N 1 3 311.514 2.545 20 0 DFADHO c1ccc(CN2C[C@H]3CC[C@@H]([NH2+]CC4=CCOCC4)[C@@H]3C2)cc1 ZINC000449402732 429405173 /nfs/dbraw/zinc/40/51/73/429405173.db2.gz NDBMAXUSWHFTHN-VAMGGRTRSA-N 1 3 312.457 2.833 20 0 DFADHO c1ccc(C[N@H+]2C[C@H]3CC[C@@H](NCC4=CCOCC4)[C@@H]3C2)cc1 ZINC000449402732 429405179 /nfs/dbraw/zinc/40/51/79/429405179.db2.gz NDBMAXUSWHFTHN-VAMGGRTRSA-N 1 3 312.457 2.833 20 0 DFADHO c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](NCC4=CCOCC4)[C@@H]3C2)cc1 ZINC000449402732 429405183 /nfs/dbraw/zinc/40/51/83/429405183.db2.gz NDBMAXUSWHFTHN-VAMGGRTRSA-N 1 3 312.457 2.833 20 0 DFADHO c1c(CNC[C@@H]2CCc3ccccc32)onc1C1CC[NH2+]CC1 ZINC000425899759 429350035 /nfs/dbraw/zinc/35/00/35/429350035.db2.gz MHUIIEITSNOMGV-INIZCTEOSA-N 1 3 311.429 2.961 20 0 DFADHO O[C@@H]1CCCC[C@@H]1CCCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425897982 429351623 /nfs/dbraw/zinc/35/16/23/429351623.db2.gz XBJQBZRMQJVBNH-CRAIPNDOSA-N 1 3 321.465 2.563 20 0 DFADHO CC1=C[C@H](C)C[C@@H](C[NH+]2CCN([C@H]3CCCN(C)C3)CC2)C1 ZINC000365665254 429358115 /nfs/dbraw/zinc/35/81/15/429358115.db2.gz FHELSSZFIBMOPX-UHOSZYNNSA-N 1 3 305.510 2.691 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCc2cnccn2)CC1 ZINC000449208711 429358334 /nfs/dbraw/zinc/35/83/34/429358334.db2.gz SWBGRHLTGZWIGY-QGZVFWFLSA-N 1 3 324.472 2.704 20 0 DFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCN2CCCC2)CC1 ZINC000449218777 429362128 /nfs/dbraw/zinc/36/21/28/429362128.db2.gz KQKPBBAMZYNVSO-SFHVURJKSA-N 1 3 315.505 2.767 20 0 DFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H](C)N(C)C)CC1 ZINC000449228171 429362797 /nfs/dbraw/zinc/36/27/97/429362797.db2.gz XREOXJBQZOONQW-SJORKVTESA-N 1 3 303.494 2.622 20 0 DFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCOCCO)CC1 ZINC000449229482 429363313 /nfs/dbraw/zinc/36/33/13/429363313.db2.gz BGWBENJQSLBUJP-UHFFFAOYSA-N 1 3 314.514 2.654 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000449256016 429368158 /nfs/dbraw/zinc/36/81/58/429368158.db2.gz BMQRKJBKAJAYLN-LZQZEXGQSA-N 1 3 316.489 2.831 20 0 DFADHO C[C@H](C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)CN(C)C ZINC000491591752 429377232 /nfs/dbraw/zinc/37/72/32/429377232.db2.gz OABLCYSNWJBRTQ-CRAIPNDOSA-N 1 3 306.450 2.532 20 0 DFADHO C[C@@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000366490185 429463954 /nfs/dbraw/zinc/46/39/54/429463954.db2.gz NNKJDIJGIYGTHD-KXBFYZLASA-N 1 3 316.445 2.937 20 0 DFADHO C[C@@H](c1ccc2c(c1)OCCCO2)[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000366490185 429463958 /nfs/dbraw/zinc/46/39/58/429463958.db2.gz NNKJDIJGIYGTHD-KXBFYZLASA-N 1 3 316.445 2.937 20 0 DFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000426771339 429416320 /nfs/dbraw/zinc/41/63/20/429416320.db2.gz BAFYVEXLRMXTPL-IAGOWNOFSA-N 1 3 311.514 2.734 20 0 DFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000426771339 429416326 /nfs/dbraw/zinc/41/63/26/429416326.db2.gz BAFYVEXLRMXTPL-IAGOWNOFSA-N 1 3 311.514 2.734 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000426790884 429416758 /nfs/dbraw/zinc/41/67/58/429416758.db2.gz BXEQHDUWTHHHGB-DOTOQJQBSA-N 1 3 309.498 2.628 20 0 DFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000426790884 429416763 /nfs/dbraw/zinc/41/67/63/429416763.db2.gz BXEQHDUWTHHHGB-DOTOQJQBSA-N 1 3 309.498 2.628 20 0 DFADHO CO[C@@H]1COCC[C@@H]1C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000449462485 429424603 /nfs/dbraw/zinc/42/46/03/429424603.db2.gz VHTUOSKRJPMMFP-OGWHTMIXSA-N 1 3 324.509 2.671 20 0 DFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426928516 429424870 /nfs/dbraw/zinc/42/48/70/429424870.db2.gz IWPVXDKARYRQHN-INIZCTEOSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCn3ccnc3C2)CC1 ZINC000427873368 429475855 /nfs/dbraw/zinc/47/58/55/429475855.db2.gz KVVWIVGNZGQTKK-NJAFHUGGSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCn3ccnc3C2)CC1 ZINC000427873368 429475858 /nfs/dbraw/zinc/47/58/58/429475858.db2.gz KVVWIVGNZGQTKK-NJAFHUGGSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)/C=C\CN(C)C)CC1 ZINC000492162825 429479969 /nfs/dbraw/zinc/47/99/69/429479969.db2.gz UJYDQOXFRDJKAX-BQLWYNFJSA-N 1 3 321.509 2.607 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)/C=C\CN(C)C)CC1 ZINC000492162825 429479973 /nfs/dbraw/zinc/47/99/73/429479973.db2.gz UJYDQOXFRDJKAX-BQLWYNFJSA-N 1 3 321.509 2.607 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458290695 429615179 /nfs/dbraw/zinc/61/51/79/429615179.db2.gz RZVCUTZRNDDFBM-QGZVFWFLSA-N 1 3 303.450 2.870 20 0 DFADHO CN(CCCO)C1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450406403 429619668 /nfs/dbraw/zinc/61/96/68/429619668.db2.gz GFLZRNOJUDLYGZ-YHYXMXQVSA-N 1 3 302.462 2.869 20 0 DFADHO Cc1nccn1C[C@@H]1CCCN1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000450471394 429635461 /nfs/dbraw/zinc/63/54/61/429635461.db2.gz JYLUMRZCSAKNLZ-ROUUACIJSA-N 1 3 304.482 2.919 20 0 DFADHO Cc1nccn1C[C@@H]1CCCN1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000450471394 429635464 /nfs/dbraw/zinc/63/54/64/429635464.db2.gz JYLUMRZCSAKNLZ-ROUUACIJSA-N 1 3 304.482 2.919 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000450561258 429648713 /nfs/dbraw/zinc/64/87/13/429648713.db2.gz GXKOTHYEMZXSQC-CAMMJAKZSA-N 1 3 304.478 2.813 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000450561258 429648718 /nfs/dbraw/zinc/64/87/18/429648718.db2.gz GXKOTHYEMZXSQC-CAMMJAKZSA-N 1 3 304.478 2.813 20 0 DFADHO CCc1ccc2nccc(N3CC[NH+](C[C@@H](O)CC)CC3)c2c1 ZINC000450341628 429604686 /nfs/dbraw/zinc/60/46/86/429604686.db2.gz LOZBPGCIAHNDCV-INIZCTEOSA-N 1 3 313.445 2.690 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](CC3CC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000450340406 429605156 /nfs/dbraw/zinc/60/51/56/429605156.db2.gz FLJVERLCNLKFKL-OKILXGFUSA-N 1 3 316.436 2.853 20 0 DFADHO CCc1ccc2nccc(N3CC[NH+]([C@@H](CC)CO)CC3)c2c1 ZINC000450362740 429610448 /nfs/dbraw/zinc/61/04/48/429610448.db2.gz SINLJHWLYMBOEJ-INIZCTEOSA-N 1 3 313.445 2.690 20 0 DFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H](C)N2CCCCCC2)cc1 ZINC000429485639 429611300 /nfs/dbraw/zinc/61/13/00/429611300.db2.gz UFVCEVHAYIYVBX-CABCVRRESA-N 1 3 303.450 2.587 20 0 DFADHO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000362364787 276034642 /nfs/dbraw/zinc/03/46/42/276034642.db2.gz VHFYZVINPFZOCP-CRAIPNDOSA-N 1 3 321.509 2.630 20 0 DFADHO CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000362364787 276034644 /nfs/dbraw/zinc/03/46/44/276034644.db2.gz VHFYZVINPFZOCP-CRAIPNDOSA-N 1 3 321.509 2.630 20 0 DFADHO CCOC1CC(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000367553180 429668845 /nfs/dbraw/zinc/66/88/45/429668845.db2.gz LSPAILLDPWVDTI-FDCMFXBMSA-N 1 3 324.509 2.623 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000357629165 276206946 /nfs/dbraw/zinc/20/69/46/276206946.db2.gz DLHCAKAKZWVCEQ-HOTGVXAUSA-N 1 3 311.514 2.780 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2F)C[C@@H]1C ZINC000354211858 276224465 /nfs/dbraw/zinc/22/44/65/276224465.db2.gz YPRYQLCKPIILQE-GJZGRUSLSA-N 1 3 321.440 2.959 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2F)C[C@@H]1C ZINC000354211858 276224466 /nfs/dbraw/zinc/22/44/66/276224466.db2.gz YPRYQLCKPIILQE-GJZGRUSLSA-N 1 3 321.440 2.959 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@H]2CCC[C@H]21 ZINC000367624630 429687423 /nfs/dbraw/zinc/68/74/23/429687423.db2.gz WJDHYFBHFCSLAU-HSALFYBXSA-N 1 3 324.472 2.894 20 0 DFADHO CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000367689732 429701205 /nfs/dbraw/zinc/70/12/05/429701205.db2.gz RZZAKSGVHQCPEF-MRXNPFEDSA-N 1 3 318.509 2.709 20 0 DFADHO CCc1nn(C)c(CC)c1C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000367689732 429701207 /nfs/dbraw/zinc/70/12/07/429701207.db2.gz RZZAKSGVHQCPEF-MRXNPFEDSA-N 1 3 318.509 2.709 20 0 DFADHO C(N1CCC[C@H]1C1CC1)C1(C[N@@H+]2CCC[C@H]2C2CC2)COC1 ZINC000367794168 429718269 /nfs/dbraw/zinc/71/82/69/429718269.db2.gz KYPPRJKTQGFDON-ROUUACIJSA-N 1 3 304.478 2.752 20 0 DFADHO C(N1CCC[C@H]1C1CC1)C1(C[N@H+]2CCC[C@H]2C2CC2)COC1 ZINC000367794168 429718273 /nfs/dbraw/zinc/71/82/73/429718273.db2.gz KYPPRJKTQGFDON-ROUUACIJSA-N 1 3 304.478 2.752 20 0 DFADHO CC(C)C[N@@H+]1CC[C@@H](CNc2ccncc2-c2cccnc2)C1 ZINC000367844452 429727198 /nfs/dbraw/zinc/72/71/98/429727198.db2.gz XBGDFJISKDONSR-INIZCTEOSA-N 1 3 310.445 2.955 20 0 DFADHO CC(C)C[N@H+]1CC[C@@H](CNc2ccncc2-c2cccnc2)C1 ZINC000367844452 429727201 /nfs/dbraw/zinc/72/72/01/429727201.db2.gz XBGDFJISKDONSR-INIZCTEOSA-N 1 3 310.445 2.955 20 0 DFADHO [NH3+]C[C@H]1CCN(CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430965735 429731411 /nfs/dbraw/zinc/73/14/11/429731411.db2.gz LKLBQDVDRHWCBB-GFCCVEGCSA-N 1 3 302.340 2.755 20 0 DFADHO COC(=O)C(C)(C)CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000527238191 429735365 /nfs/dbraw/zinc/73/53/65/429735365.db2.gz AJABWLQYLXGGOV-UHFFFAOYSA-N 1 3 310.482 2.962 20 0 DFADHO COC(=O)C(C)(C)CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000527238191 429735371 /nfs/dbraw/zinc/73/53/71/429735371.db2.gz AJABWLQYLXGGOV-UHFFFAOYSA-N 1 3 310.482 2.962 20 0 DFADHO C[NH+]1CCC([C@@H]2CCN(Cc3cnc(C(C)(C)C)nc3)C2)CC1 ZINC000368131582 429795918 /nfs/dbraw/zinc/79/59/18/429795918.db2.gz ATLNZIXJKKMBRL-QGZVFWFLSA-N 1 3 316.493 2.938 20 0 DFADHO COc1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1O ZINC000368137202 429797035 /nfs/dbraw/zinc/79/70/35/429797035.db2.gz YEKDLIFLNZIHJS-INIZCTEOSA-N 1 3 304.434 2.565 20 0 DFADHO C[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1CC1(C)C ZINC000486943352 429755051 /nfs/dbraw/zinc/75/50/51/429755051.db2.gz WKOXDQUVPANDTE-PBHICJAKSA-N 1 3 317.477 2.502 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CC1(C)C ZINC000486972868 429757469 /nfs/dbraw/zinc/75/74/69/429757469.db2.gz TYAQPTRHIKCHLA-LPHOPBHVSA-N 1 3 315.505 2.958 20 0 DFADHO Cc1cc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccn1 ZINC000527535948 429759220 /nfs/dbraw/zinc/75/92/20/429759220.db2.gz VXOOENJFKNMWKW-IAGOWNOFSA-N 1 3 317.477 2.711 20 0 DFADHO CC(C)CC[NH+]1CCC(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000431569276 429769414 /nfs/dbraw/zinc/76/94/14/429769414.db2.gz HCMVMIGWVXXGBL-CALCHBBNSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H]([NH2+]C1CCN(C2CCN(C)CC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527650585 429773487 /nfs/dbraw/zinc/77/34/87/429773487.db2.gz QMYMOAOYHSLGDF-CCKFTAQKSA-N 1 3 305.510 2.569 20 0 DFADHO C[C@H](CNC(=O)[C@@H]1CCCCN1C1CCCC1)C[NH+]1CCCC1 ZINC000431724963 429779106 /nfs/dbraw/zinc/77/91/06/429779106.db2.gz XWCMKKKYDIZSOR-AEFFLSMTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)COC2 ZINC000432415550 429822444 /nfs/dbraw/zinc/82/24/44/429822444.db2.gz NJYHZIKHMJSRNA-CVEARBPZSA-N 1 3 318.461 2.868 20 0 DFADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)COC2 ZINC000432415550 429822447 /nfs/dbraw/zinc/82/24/47/429822447.db2.gz NJYHZIKHMJSRNA-CVEARBPZSA-N 1 3 318.461 2.868 20 0 DFADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000368355580 429836374 /nfs/dbraw/zinc/83/63/74/429836374.db2.gz XWSWFDJPOBSKPN-SXLOBPIMSA-N 1 3 315.505 2.796 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CC4COC4)[C@@H]3C2)cc1 ZINC000528027403 429839466 /nfs/dbraw/zinc/83/94/66/429839466.db2.gz SWKDCIZXVIDWIB-IPMKNSEASA-N 1 3 300.446 2.523 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCCC1CCOCC1 ZINC000368530469 429862441 /nfs/dbraw/zinc/86/24/41/429862441.db2.gz MRWZXLUFPBHUTA-CEXWTWQISA-N 1 3 324.509 2.767 20 0 DFADHO CS[C@@H]1CN(c2ccncc2-c2cccnc2)C[C@H]1[NH+](C)C ZINC000368543111 429863945 /nfs/dbraw/zinc/86/39/45/429863945.db2.gz GBYSTQZHHGYIDI-IAGOWNOFSA-N 1 3 314.458 2.625 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@H]1CC12CC2 ZINC000527857985 429810519 /nfs/dbraw/zinc/81/05/19/429810519.db2.gz GHBVYLBOCKHCSY-MAUKXSAKSA-N 1 3 302.462 2.948 20 0 DFADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@H]1CC12CC2 ZINC000527857984 429810770 /nfs/dbraw/zinc/81/07/70/429810770.db2.gz GHBVYLBOCKHCSY-CRAIPNDOSA-N 1 3 302.462 2.948 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)[C@@H]1CC12CC2 ZINC000527886536 429814267 /nfs/dbraw/zinc/81/42/67/429814267.db2.gz KYJLESPCABVMNC-QGTPRVQTSA-N 1 3 300.446 2.531 20 0 DFADHO CC[NH+]1CCC(N(C)C[C@@H](Cc2ccc(F)cc2)OC)CC1 ZINC000528392688 429884354 /nfs/dbraw/zinc/88/43/54/429884354.db2.gz CZMMCJZRGZSIBS-GOSISDBHSA-N 1 3 308.441 2.799 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528399056 429885310 /nfs/dbraw/zinc/88/53/10/429885310.db2.gz QXWITSIBNIGACW-WMZOPIPTSA-N 1 3 308.441 2.657 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528399056 429885312 /nfs/dbraw/zinc/88/53/12/429885312.db2.gz QXWITSIBNIGACW-WMZOPIPTSA-N 1 3 308.441 2.657 20 0 DFADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528399047 429885612 /nfs/dbraw/zinc/88/56/12/429885612.db2.gz QXWITSIBNIGACW-AEFFLSMTSA-N 1 3 308.441 2.657 20 0 DFADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528399047 429885614 /nfs/dbraw/zinc/88/56/14/429885614.db2.gz QXWITSIBNIGACW-AEFFLSMTSA-N 1 3 308.441 2.657 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C)C3(CCC3)C2)CC1 ZINC000369197307 429918695 /nfs/dbraw/zinc/91/86/95/429918695.db2.gz IDZFSSJBNXIZDL-GOSISDBHSA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C)C3(CCC3)C2)CC1 ZINC000369197307 429918696 /nfs/dbraw/zinc/91/86/96/429918696.db2.gz IDZFSSJBNXIZDL-GOSISDBHSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@H](C[C@@H](C)[NH2+]CC1=CCN(C)CC1)NC(=O)OC(C)(C)C ZINC000494418803 429871641 /nfs/dbraw/zinc/87/16/41/429871641.db2.gz QXRUQZYYQPEWPQ-ZIAGYGMSSA-N 1 3 311.470 2.530 20 0 DFADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759631 429973185 /nfs/dbraw/zinc/97/31/85/429973185.db2.gz FEUZHODWZCNKGT-MRXNPFEDSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cccc(N2CCOCC2)c1 ZINC000573711344 429975694 /nfs/dbraw/zinc/97/56/94/429975694.db2.gz HVRMOZSUJZJBJM-WDYCEAGBSA-N 1 3 317.477 2.691 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)c1cccc(N2CCOCC2)c1 ZINC000573711344 429975696 /nfs/dbraw/zinc/97/56/96/429975696.db2.gz HVRMOZSUJZJBJM-WDYCEAGBSA-N 1 3 317.477 2.691 20 0 DFADHO C[C@@H](N[C@@H](C[NH3+])C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000573711274 429975761 /nfs/dbraw/zinc/97/57/61/429975761.db2.gz ANSOTHRCPAVLTA-KDOFPFPSSA-N 1 3 313.449 2.826 20 0 DFADHO [NH3+]CCC1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000573211395 429937438 /nfs/dbraw/zinc/93/74/38/429937438.db2.gz OKUROEXYQSMOSK-UHFFFAOYSA-N 1 3 302.340 2.988 20 0 DFADHO Clc1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCO2 ZINC000574277510 430028645 /nfs/dbraw/zinc/02/86/45/430028645.db2.gz KZJPBVCWFIVVQT-KGLIPLIRSA-N 1 3 322.836 2.890 20 0 DFADHO CCC1([NH+]2CCCC2)CCN(CCCn2ccnc2C)CC1 ZINC000639985627 430044569 /nfs/dbraw/zinc/04/45/69/430044569.db2.gz CKHRUEGEWZXXGE-UHFFFAOYSA-N 1 3 304.482 2.922 20 0 DFADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748959 429990072 /nfs/dbraw/zinc/99/00/72/429990072.db2.gz MCONTTGQWRRCND-RLLQIKCJSA-N 1 3 315.505 2.889 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748959 429990073 /nfs/dbraw/zinc/99/00/73/429990073.db2.gz MCONTTGQWRRCND-RLLQIKCJSA-N 1 3 315.505 2.889 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748959 429990075 /nfs/dbraw/zinc/99/00/75/429990075.db2.gz MCONTTGQWRRCND-RLLQIKCJSA-N 1 3 315.505 2.889 20 0 DFADHO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000562063599 430108531 /nfs/dbraw/zinc/10/85/31/430108531.db2.gz FAIJPEWZQJLTSZ-DOTOQJQBSA-N 1 3 308.466 2.542 20 0 DFADHO c1cc(CN2CCCCC2)cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000634779206 430110295 /nfs/dbraw/zinc/11/02/95/430110295.db2.gz HMDWOLMLZMBSRT-KDURUIRLSA-N 1 3 300.446 2.751 20 0 DFADHO c1cc(CN2CCCCC2)cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000634779206 430110297 /nfs/dbraw/zinc/11/02/97/430110297.db2.gz HMDWOLMLZMBSRT-KDURUIRLSA-N 1 3 300.446 2.751 20 0 DFADHO O[C@]1(CN[C@@H]2C[C@@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634643556 430064143 /nfs/dbraw/zinc/06/41/43/430064143.db2.gz DRBXLUMTVMLBFA-NJYVYQBISA-N 1 3 322.452 2.769 20 0 DFADHO O[C@]1(CN[C@@H]2C[C@@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634643556 430064146 /nfs/dbraw/zinc/06/41/46/430064146.db2.gz DRBXLUMTVMLBFA-NJYVYQBISA-N 1 3 322.452 2.769 20 0 DFADHO c1ccc(-c2ncc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)cn2)cc1 ZINC000560972203 430072227 /nfs/dbraw/zinc/07/22/27/430072227.db2.gz SHLRQPZKZMMLSZ-ZWKOTPCHSA-N 1 3 308.429 2.621 20 0 DFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000561074571 430075528 /nfs/dbraw/zinc/07/55/28/430075528.db2.gz UVEATJRAGJRSNM-AEFFLSMTSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000561074571 430075531 /nfs/dbraw/zinc/07/55/31/430075531.db2.gz UVEATJRAGJRSNM-AEFFLSMTSA-N 1 3 317.477 2.526 20 0 DFADHO CC[NH2+]CCCN[C@@H]1CCc2cc(Br)ccc2C1 ZINC000580827685 430155789 /nfs/dbraw/zinc/15/57/89/430155789.db2.gz DFROZIGIQLZOFS-OAHLLOKOSA-N 1 3 311.267 2.896 20 0 DFADHO CCNCCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000580827685 430155793 /nfs/dbraw/zinc/15/57/93/430155793.db2.gz DFROZIGIQLZOFS-OAHLLOKOSA-N 1 3 311.267 2.896 20 0 DFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000562657786 430160967 /nfs/dbraw/zinc/16/09/67/430160967.db2.gz GZDCSTXFOKTTQP-SJLPKXTDSA-N 1 3 321.509 2.630 20 0 DFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000562657786 430160973 /nfs/dbraw/zinc/16/09/73/430160973.db2.gz GZDCSTXFOKTTQP-SJLPKXTDSA-N 1 3 321.509 2.630 20 0 DFADHO CCCC[N@H+](C)CC1CCN(Cc2c[nH]c3ncncc23)CC1 ZINC000637904636 430168420 /nfs/dbraw/zinc/16/84/20/430168420.db2.gz FFUGOELUUHLDJL-UHFFFAOYSA-N 1 3 315.465 2.853 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(Cc2c[nH]c3ncncc23)CC1 ZINC000637904636 430168425 /nfs/dbraw/zinc/16/84/25/430168425.db2.gz FFUGOELUUHLDJL-UHFFFAOYSA-N 1 3 315.465 2.853 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000370636160 277029082 /nfs/dbraw/zinc/02/90/82/277029082.db2.gz QRFMQEYCCSCUPP-QFBILLFUSA-N 1 3 317.452 2.571 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4cc(F)ccc43)C2)CC1 ZINC000370625183 277029168 /nfs/dbraw/zinc/02/91/68/277029168.db2.gz VYWRFVYTIRCLFI-QFBILLFUSA-N 1 3 317.452 2.571 20 0 DFADHO CN1CCC[C@H](CNC(N)=[NH2+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304265047 277073811 /nfs/dbraw/zinc/07/38/11/277073811.db2.gz VBCAVCDSFPUEQS-YPMHNXCESA-N 1 3 314.355 2.571 20 0 DFADHO N[C@@H](CC[NH2+][C@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000635004671 430194409 /nfs/dbraw/zinc/19/44/09/430194409.db2.gz FXCUKHKNUHGVLV-ROUUACIJSA-N 1 3 302.462 2.885 20 0 DFADHO CN1CCN(CC2CC[NH+](CC3CCCCCC3)CC2)CC1 ZINC000367674869 277104192 /nfs/dbraw/zinc/10/41/92/277104192.db2.gz WXYKQQBYBGUHIC-UHFFFAOYSA-N 1 3 307.526 2.916 20 0 DFADHO CC1(C)[C@H]([NH2+]Cc2cccc3c2CCNC3)[C@@H]2CCCO[C@H]21 ZINC000635007605 430193503 /nfs/dbraw/zinc/19/35/03/430193503.db2.gz FEGYWRYDTQDKJR-RCCFBDPRSA-N 1 3 300.446 2.626 20 0 DFADHO C[N@@H+]1CC[C@](O)(CN[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000358247064 277184181 /nfs/dbraw/zinc/18/41/81/277184181.db2.gz HKNIYCHDYMSUSB-ROUUACIJSA-N 1 3 306.425 2.713 20 0 DFADHO C[N@H+]1CC[C@](O)(CN[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000358247064 277184183 /nfs/dbraw/zinc/18/41/83/277184183.db2.gz HKNIYCHDYMSUSB-ROUUACIJSA-N 1 3 306.425 2.713 20 0 DFADHO Fc1ccc2c(c1)[C@@H](Nc1cc(N3CCNCC3)cc[nH+]1)CC2 ZINC000635008220 430195744 /nfs/dbraw/zinc/19/57/44/430195744.db2.gz IFXGRCMFNCKEMB-KRWDZBQOSA-N 1 3 312.392 2.730 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc3c1CCNC3)CC2 ZINC000635012015 430196097 /nfs/dbraw/zinc/19/60/97/430196097.db2.gz SKZYPLQCHCVAGP-LJQANCHMSA-N 1 3 322.452 2.988 20 0 DFADHO Cc1ccc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(C)n1 ZINC000635008785 430196742 /nfs/dbraw/zinc/19/67/42/430196742.db2.gz KLELOIKIDKCEMK-OAHLLOKOSA-N 1 3 311.433 2.676 20 0 DFADHO CCc1ccc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)o1 ZINC000635010174 430196818 /nfs/dbraw/zinc/19/68/18/430196818.db2.gz QVTVMWACHAEPNJ-ZDUSSCGKSA-N 1 3 300.406 2.820 20 0 DFADHO C[NH+](C)CC1(CNCCC(=O)Nc2ccccc2)CCCC1 ZINC000581425379 430207718 /nfs/dbraw/zinc/20/77/18/430207718.db2.gz PPTLTURVSGMWNY-UHFFFAOYSA-N 1 3 303.450 2.727 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638047406 430219282 /nfs/dbraw/zinc/21/92/82/430219282.db2.gz HFSYNGLYMTXHRX-NSISKUIASA-N 1 3 316.489 2.957 20 0 DFADHO C[N@@H+](Cc1ccc(=O)[nH]c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000638066186 430224795 /nfs/dbraw/zinc/22/47/95/430224795.db2.gz FECRTSIOBNASJZ-GOSISDBHSA-N 1 3 311.429 2.741 20 0 DFADHO C[N@H+](Cc1ccc(=O)[nH]c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000638066186 430224798 /nfs/dbraw/zinc/22/47/98/430224798.db2.gz FECRTSIOBNASJZ-GOSISDBHSA-N 1 3 311.429 2.741 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccsc1 ZINC000635280506 430245172 /nfs/dbraw/zinc/24/51/72/430245172.db2.gz VIBPYEZBJFQSSD-HNNXBMFYSA-N 1 3 323.506 2.589 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](N[C@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000581894979 430248288 /nfs/dbraw/zinc/24/82/88/430248288.db2.gz NYERHODYCPDGSV-VKJFTORMSA-N 1 3 302.418 2.768 20 0 DFADHO CC(C)C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccccn1 ZINC000150950472 277444457 /nfs/dbraw/zinc/44/44/57/277444457.db2.gz WNPVZPKZHBTVFG-LJQANCHMSA-N 1 3 318.509 2.784 20 0 DFADHO C[C@@H](O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000542834678 430228756 /nfs/dbraw/zinc/22/87/56/430228756.db2.gz SJVOZGCFDJLRJE-QXCFHYIPSA-N 1 3 302.462 2.648 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)Cc1ccnc2ccccc12 ZINC000581694284 430232944 /nfs/dbraw/zinc/23/29/44/430232944.db2.gz LMOWPVZVPAQUKS-UHFFFAOYSA-N 1 3 314.477 2.550 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)Cc1ccnc2ccccc12 ZINC000581694284 430232949 /nfs/dbraw/zinc/23/29/49/430232949.db2.gz LMOWPVZVPAQUKS-UHFFFAOYSA-N 1 3 314.477 2.550 20 0 DFADHO CCCc1ncc(CNC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000582950274 430349233 /nfs/dbraw/zinc/34/92/33/430349233.db2.gz RZEYVAFRNWKOGY-UHFFFAOYSA-N 1 3 300.406 2.781 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000582414440 430297811 /nfs/dbraw/zinc/29/78/11/430297811.db2.gz OFROCXQDYWWFHI-IAGOWNOFSA-N 1 3 302.466 2.822 20 0 DFADHO CC[NH+](CC)Cc1ccc(CNC[C@H](OC)[C@H]2CCOC2)cc1 ZINC000638306278 430298484 /nfs/dbraw/zinc/29/84/84/430298484.db2.gz BLTTZLXRMLWKPO-OALUTQOASA-N 1 3 320.477 2.670 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC[C@@H](OC)[C@H]1CCOC1 ZINC000638313367 430302167 /nfs/dbraw/zinc/30/21/67/430302167.db2.gz UUEPYIIFTBHKHK-RBUKOAKNSA-N 1 3 320.477 2.670 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CC1(F)F ZINC000638367194 430318387 /nfs/dbraw/zinc/31/83/87/430318387.db2.gz MTTNQROJQREBCI-YOEHRIQHSA-N 1 3 323.431 2.567 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CC1(F)F ZINC000638367191 430318479 /nfs/dbraw/zinc/31/84/79/430318479.db2.gz MTTNQROJQREBCI-PBHICJAKSA-N 1 3 323.431 2.567 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCc2nc(-c3ccncc3)cs2)C1 ZINC000582735977 430329858 /nfs/dbraw/zinc/32/98/58/430329858.db2.gz QTUMVAHBQMJIRU-UONOGXRCSA-N 1 3 302.447 2.607 20 0 DFADHO C[C@@]1(CNC[C@H](O)C[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000638410724 430333465 /nfs/dbraw/zinc/33/34/65/430333465.db2.gz AZTRGSDCGODONB-FHWLQOOXSA-N 1 3 302.462 2.617 20 0 DFADHO CO[C@@H](CNC1CC[NH+](CC2CCCC2)CC1)C1CCOCC1 ZINC000638454193 430346622 /nfs/dbraw/zinc/34/66/22/430346622.db2.gz LRSKFPNLQPJEMG-IBGZPJMESA-N 1 3 324.509 2.672 20 0 DFADHO CO[C@@H](C[NH2+]C1CCN(CC2CCCC2)CC1)C1CCOCC1 ZINC000638454193 430346626 /nfs/dbraw/zinc/34/66/26/430346626.db2.gz LRSKFPNLQPJEMG-IBGZPJMESA-N 1 3 324.509 2.672 20 0 DFADHO c1cnn(C2CC([NH2+]C3CCN(CC4CCCC4)CC3)C2)c1 ZINC000638455599 430348175 /nfs/dbraw/zinc/34/81/75/430348175.db2.gz WCRXVAVAIHRHPD-UHFFFAOYSA-N 1 3 302.466 2.831 20 0 DFADHO c1cnn(C2CC(NC3CC[NH+](CC4CCCC4)CC3)C2)c1 ZINC000638455599 430348176 /nfs/dbraw/zinc/34/81/76/430348176.db2.gz WCRXVAVAIHRHPD-UHFFFAOYSA-N 1 3 302.466 2.831 20 0 DFADHO CO[C@@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000638456507 430348231 /nfs/dbraw/zinc/34/82/31/430348231.db2.gz MGTGBGBOLNNYRW-KRWDZBQOSA-N 1 3 308.491 2.975 20 0 DFADHO Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000568531952 430369300 /nfs/dbraw/zinc/36/93/00/430369300.db2.gz UUJPJZIAZFRQNQ-CRAIPNDOSA-N 1 3 310.445 2.958 20 0 DFADHO Cc1ncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1C ZINC000583155670 430369979 /nfs/dbraw/zinc/36/99/79/430369979.db2.gz ZILWZPYKHMCTLI-CRAIPNDOSA-N 1 3 312.461 2.871 20 0 DFADHO Cc1cc(C[NH2+]CCc2ccc(OCCN(C)C)cc2)sn1 ZINC000638539583 430371729 /nfs/dbraw/zinc/37/17/29/430371729.db2.gz RSSJYUMNSYLUBO-UHFFFAOYSA-N 1 3 319.474 2.724 20 0 DFADHO CN(C)Cc1cccc(C(=O)N2CCCc3cccc(C[NH3+])c32)c1 ZINC000638544235 430373402 /nfs/dbraw/zinc/37/34/02/430373402.db2.gz KJVRSLSXTPPAIK-UHFFFAOYSA-N 1 3 323.440 2.800 20 0 DFADHO O=C(CCNC1CC[NH+](C2CCC2)CC1)Nc1ccccc1 ZINC000569232044 430435548 /nfs/dbraw/zinc/43/55/48/430435548.db2.gz GQJAAFJWNOCZMN-UHFFFAOYSA-N 1 3 301.434 2.622 20 0 DFADHO C[NH+]1CCC(CCN[C@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000583907966 430439563 /nfs/dbraw/zinc/43/95/63/430439563.db2.gz UKPZZIOCYDGPPT-INIZCTEOSA-N 1 3 305.470 2.748 20 0 DFADHO C[C@H]1C[C@@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)CCN1C ZINC000548060383 430441973 /nfs/dbraw/zinc/44/19/73/430441973.db2.gz WGHYGWIDVNSQDB-RDJZCZTQSA-N 1 3 309.498 2.582 20 0 DFADHO C[C@H]1C[C@@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CCN1C ZINC000548060383 430441974 /nfs/dbraw/zinc/44/19/74/430441974.db2.gz WGHYGWIDVNSQDB-RDJZCZTQSA-N 1 3 309.498 2.582 20 0 DFADHO CC1CC[NH+](CCCCNCc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000641707273 430446826 /nfs/dbraw/zinc/44/68/26/430446826.db2.gz DRYZJRPIXDWOIO-UHFFFAOYSA-N 1 3 316.449 2.870 20 0 DFADHO C[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])N1CCC[C@@H](C)C1 ZINC000569357738 430447940 /nfs/dbraw/zinc/44/79/40/430447940.db2.gz ZQJWRZOQRARZAL-WCXIOVBPSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])N1CCC[C@@H](C)C1 ZINC000569357736 430448616 /nfs/dbraw/zinc/44/86/16/430448616.db2.gz ZQJWRZOQRARZAL-QBPKDAKJSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548155708 430453054 /nfs/dbraw/zinc/45/30/54/430453054.db2.gz CIFXJNPMUVZGDX-GGPKGHCWSA-N 1 3 315.505 2.828 20 0 DFADHO c1[nH]c2ncncc2c1CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000638850463 430454957 /nfs/dbraw/zinc/45/49/57/430454957.db2.gz NPBAOKDJDSAAPH-UHFFFAOYSA-N 1 3 321.428 2.795 20 0 DFADHO COCC[NH2+]C1CCN(C[C@@H](C)CCc2ccccc2)CC1 ZINC000569697664 430479619 /nfs/dbraw/zinc/47/96/19/430479619.db2.gz GYTYVJVZNYDPNQ-KRWDZBQOSA-N 1 3 304.478 2.956 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(CC(C)C)C2)[C@]12CCCO2 ZINC000638787839 430433144 /nfs/dbraw/zinc/43/31/44/430433144.db2.gz KACBVHKTKMSMDL-WJFTUGDTSA-N 1 3 324.509 2.671 20 0 DFADHO CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000638975293 430486487 /nfs/dbraw/zinc/48/64/87/430486487.db2.gz JESNXUXTTLZLIC-RDJZCZTQSA-N 1 3 317.477 2.655 20 0 DFADHO CCN1CCN(c2cccc(N[C@H]3CC[N@H+](C)[C@H](C)C3)c2)CC1 ZINC000639057341 430506582 /nfs/dbraw/zinc/50/65/82/430506582.db2.gz MUJISZUWOINFBB-AEFFLSMTSA-N 1 3 316.493 2.723 20 0 DFADHO CCN1CCN(c2cccc(N[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000639057341 430506586 /nfs/dbraw/zinc/50/65/86/430506586.db2.gz MUJISZUWOINFBB-AEFFLSMTSA-N 1 3 316.493 2.723 20 0 DFADHO [NH3+]C[C@@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)c2ccccc21 ZINC000639064989 430509688 /nfs/dbraw/zinc/50/96/88/430509688.db2.gz NHTVTZNSYJEUBK-KSSFIOAISA-N 1 3 321.424 2.700 20 0 DFADHO O=c1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c[nH]1 ZINC000639162533 430549867 /nfs/dbraw/zinc/54/98/67/430549867.db2.gz SPLKCLZHNGXBCQ-HXUWFJFHSA-N 1 3 323.440 2.885 20 0 DFADHO O=c1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c[nH]1 ZINC000639162533 430549869 /nfs/dbraw/zinc/54/98/69/430549869.db2.gz SPLKCLZHNGXBCQ-HXUWFJFHSA-N 1 3 323.440 2.885 20 0 DFADHO Cc1ncc([C@H](C)N2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000639177355 430555220 /nfs/dbraw/zinc/55/52/20/430555220.db2.gz SHGPUKJZZBTCEM-YOEHRIQHSA-N 1 3 302.466 2.818 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639178950 430557859 /nfs/dbraw/zinc/55/78/59/430557859.db2.gz PVAUKOLACXXNGK-WSTZPKSXSA-N 1 3 313.489 2.929 20 0 DFADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639178950 430557864 /nfs/dbraw/zinc/55/78/64/430557864.db2.gz PVAUKOLACXXNGK-WSTZPKSXSA-N 1 3 313.489 2.929 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000643296988 430576786 /nfs/dbraw/zinc/57/67/86/430576786.db2.gz VUTBTXMHCJDTBM-KRWDZBQOSA-N 1 3 320.477 2.612 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000643296988 430576788 /nfs/dbraw/zinc/57/67/88/430576788.db2.gz VUTBTXMHCJDTBM-KRWDZBQOSA-N 1 3 320.477 2.612 20 0 DFADHO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000552043306 430580664 /nfs/dbraw/zinc/58/06/64/430580664.db2.gz GYSQBYJBUHFWPB-ZWKOTPCHSA-N 1 3 307.526 2.961 20 0 DFADHO C[N@@H+]1CCC[C@H](N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000643374887 430595186 /nfs/dbraw/zinc/59/51/86/430595186.db2.gz YPYTUFNPRRRALY-UFYCRDLUSA-N 1 3 313.489 2.502 20 0 DFADHO C[N@H+]1CCC[C@H](N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000643374887 430595190 /nfs/dbraw/zinc/59/51/90/430595190.db2.gz YPYTUFNPRRRALY-UFYCRDLUSA-N 1 3 313.489 2.502 20 0 DFADHO CCOC(=O)[C@@H]1CCCC[C@@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000571032178 430597691 /nfs/dbraw/zinc/59/76/91/430597691.db2.gz SCORCFHAXBCTEE-SJORKVTESA-N 1 3 308.466 2.572 20 0 DFADHO C[N@@H+]1CCC[C@H](CNCc2ccc(=O)[nH]c2)[C@H]1c1ccccc1 ZINC000639154718 430546484 /nfs/dbraw/zinc/54/64/84/430546484.db2.gz CZUOVRMHULCEHW-IEBWSBKVSA-N 1 3 311.429 2.960 20 0 DFADHO C[N@H+]1CCC[C@H](CNCc2ccc(=O)[nH]c2)[C@H]1c1ccccc1 ZINC000639154718 430546489 /nfs/dbraw/zinc/54/64/89/430546489.db2.gz CZUOVRMHULCEHW-IEBWSBKVSA-N 1 3 311.429 2.960 20 0 DFADHO COc1ccc(COCCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000643064216 430547182 /nfs/dbraw/zinc/54/71/82/430547182.db2.gz XLPGSNNYAFOHBL-IEBWSBKVSA-N 1 3 318.461 2.676 20 0 DFADHO C[C@H](N[C@H](C[NH3+])C1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000571753779 430650698 /nfs/dbraw/zinc/65/06/98/430650698.db2.gz FFBHELPDBJPSAE-HNAYVOBHSA-N 1 3 317.477 2.691 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456666 430603233 /nfs/dbraw/zinc/60/32/33/430603233.db2.gz VTTGOPBGSRTEAA-GLQYFDAESA-N 1 3 316.367 2.590 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1ccc(C(F)(F)F)cc1 ZINC000643456666 430603236 /nfs/dbraw/zinc/60/32/36/430603236.db2.gz VTTGOPBGSRTEAA-GLQYFDAESA-N 1 3 316.367 2.590 20 0 DFADHO CCN(Cc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1)C1CC1 ZINC000571101780 430603895 /nfs/dbraw/zinc/60/38/95/430603895.db2.gz CSLSMLYPMLIFHI-YOEHRIQHSA-N 1 3 315.461 2.623 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1ccnn1C)C(C)C ZINC000643484329 430607635 /nfs/dbraw/zinc/60/76/35/430607635.db2.gz WFMOSJCWKSOADM-DYVFJYSZSA-N 1 3 315.465 2.673 20 0 DFADHO C[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643520922 430612050 /nfs/dbraw/zinc/61/20/50/430612050.db2.gz CYDRFCSKOFGXJO-WQGACYEGSA-N 1 3 301.434 2.565 20 0 DFADHO O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCCNCC1)CC2 ZINC000643522652 430612575 /nfs/dbraw/zinc/61/25/75/430612575.db2.gz QWPIZKFAVZCAEF-XVTSOASTSA-N 1 3 313.445 2.551 20 0 DFADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1-n1ccnn1 ZINC000643523747 430613059 /nfs/dbraw/zinc/61/30/59/430613059.db2.gz OPVFOQYRCDCQKQ-CQSZACIVSA-N 1 3 319.412 2.721 20 0 DFADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ncc(-c2ccccc2)n1C ZINC000643536724 430614973 /nfs/dbraw/zinc/61/49/73/430614973.db2.gz VDBDXKSDICJQQK-PBHICJAKSA-N 1 3 310.445 2.880 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546851 430615306 /nfs/dbraw/zinc/61/53/06/430615306.db2.gz VWHSGNCDPRQBMS-RDJZCZTQSA-N 1 3 315.461 2.976 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)c1 ZINC000643546851 430615308 /nfs/dbraw/zinc/61/53/08/430615308.db2.gz VWHSGNCDPRQBMS-RDJZCZTQSA-N 1 3 315.461 2.976 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546677 430615321 /nfs/dbraw/zinc/61/53/21/430615321.db2.gz SQSQMFQJGAIRMG-CVEARBPZSA-N 1 3 315.461 2.692 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546677 430615325 /nfs/dbraw/zinc/61/53/25/430615325.db2.gz SQSQMFQJGAIRMG-CVEARBPZSA-N 1 3 315.461 2.692 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546679 430616174 /nfs/dbraw/zinc/61/61/74/430616174.db2.gz SQSQMFQJGAIRMG-HZPDHXFCSA-N 1 3 315.461 2.692 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546679 430616178 /nfs/dbraw/zinc/61/61/78/430616178.db2.gz SQSQMFQJGAIRMG-HZPDHXFCSA-N 1 3 315.461 2.692 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000643547564 430616205 /nfs/dbraw/zinc/61/62/05/430616205.db2.gz HCPWZZUVLFOFNC-GDBMZVCRSA-N 1 3 311.433 2.593 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545681 430616340 /nfs/dbraw/zinc/61/63/40/430616340.db2.gz AHUFSTHRIIETSU-ZBFHGGJFSA-N 1 3 301.434 2.668 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643545681 430616342 /nfs/dbraw/zinc/61/63/42/430616342.db2.gz AHUFSTHRIIETSU-ZBFHGGJFSA-N 1 3 301.434 2.668 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000643547565 430616359 /nfs/dbraw/zinc/61/63/59/430616359.db2.gz HCPWZZUVLFOFNC-GOEBONIOSA-N 1 3 311.433 2.593 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000639360403 430620300 /nfs/dbraw/zinc/62/03/00/430620300.db2.gz WYHXCCXIYMBZTN-XWPNQZOQSA-N 1 3 314.473 2.912 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000639360403 430620303 /nfs/dbraw/zinc/62/03/03/430620303.db2.gz WYHXCCXIYMBZTN-XWPNQZOQSA-N 1 3 314.473 2.912 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000639360403 430620305 /nfs/dbraw/zinc/62/03/05/430620305.db2.gz WYHXCCXIYMBZTN-XWPNQZOQSA-N 1 3 314.473 2.912 20 0 DFADHO COc1ccccc1OCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000571669399 430644564 /nfs/dbraw/zinc/64/45/64/430644564.db2.gz LCZSHEVNKFFNPA-GVDBMIGSSA-N 1 3 318.461 2.974 20 0 DFADHO CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000556094038 430678858 /nfs/dbraw/zinc/67/88/58/430678858.db2.gz OPALQFZZWXGXBS-YOEHRIQHSA-N 1 3 304.434 2.856 20 0 DFADHO CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000556094038 430678860 /nfs/dbraw/zinc/67/88/60/430678860.db2.gz OPALQFZZWXGXBS-YOEHRIQHSA-N 1 3 304.434 2.856 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)CC)CC2)CC1 ZINC000572376879 430684953 /nfs/dbraw/zinc/68/49/53/430684953.db2.gz WHYMVKAOJCHNLU-UHFFFAOYSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)N1CCCCCC1 ZINC000266524599 278214466 /nfs/dbraw/zinc/21/44/66/278214466.db2.gz DEPMECDEGVKLPP-HNNXBMFYSA-N 1 3 303.450 2.951 20 0 DFADHO Cc1cncc(CC[NH2+]C2CCN(C3CCCCC3)CC2)n1 ZINC000657713749 430715581 /nfs/dbraw/zinc/71/55/81/430715581.db2.gz WWJGMILFJLNZSP-UHFFFAOYSA-N 1 3 302.466 2.714 20 0 DFADHO CC[C@H]1C[C@@H]([NH2+]Cc2cccc(OCCN(C)C)c2)CCO1 ZINC000648427720 430781814 /nfs/dbraw/zinc/78/18/14/430781814.db2.gz TUDYAEPSMOMTLW-IRXDYDNUSA-N 1 3 306.450 2.674 20 0 DFADHO CC[NH+](CC)CCOc1ccccc1CNCC1(O)CCCC1 ZINC000644523611 430744141 /nfs/dbraw/zinc/74/41/41/430744141.db2.gz JAELAFPKKRCABE-UHFFFAOYSA-N 1 3 320.477 2.802 20 0 DFADHO C[C@@H](CNCCC(=O)Nc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000644525585 430744477 /nfs/dbraw/zinc/74/44/77/430744477.db2.gz BLAAQTHWHIPRFH-AWEZNQCLSA-N 1 3 323.868 2.990 20 0 DFADHO C[C@@H](C[NH2+]CCC(=O)Nc1cccc(Cl)c1)CN1CCCC1 ZINC000644525585 430744482 /nfs/dbraw/zinc/74/44/82/430744482.db2.gz BLAAQTHWHIPRFH-AWEZNQCLSA-N 1 3 323.868 2.990 20 0 DFADHO CC(C)CN1CCC([NH2+]CCC(=O)Nc2ccccc2F)CC1 ZINC000644530231 430745266 /nfs/dbraw/zinc/74/52/66/430745266.db2.gz YPVVZHRFXVFRTF-UHFFFAOYSA-N 1 3 321.440 2.864 20 0 DFADHO C[C@H](Cc1ccc2c(c1)CCCC2)NC[C@@H](O)C[NH+]1CCCC1 ZINC000657847805 430752941 /nfs/dbraw/zinc/75/29/41/430752941.db2.gz XEBJDHVSNUVQFS-OXQOHEQNSA-N 1 3 316.489 2.543 20 0 DFADHO c1ccc(CC[N@@H+]2CC[C@@H](CN[C@H]3COC4(CCC4)C3)C2)cc1 ZINC000657867805 430755963 /nfs/dbraw/zinc/75/59/63/430755963.db2.gz PKFMLLPORLIZOC-RBUKOAKNSA-N 1 3 314.473 2.852 20 0 DFADHO c1ccc(CC[N@H+]2CC[C@@H](CN[C@H]3COC4(CCC4)C3)C2)cc1 ZINC000657867805 430755968 /nfs/dbraw/zinc/75/59/68/430755968.db2.gz PKFMLLPORLIZOC-RBUKOAKNSA-N 1 3 314.473 2.852 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]4C3(C)C)C2)CC1 ZINC000657881963 430758309 /nfs/dbraw/zinc/75/83/09/430758309.db2.gz ZZRSVLVCBKCOSX-XOYOTBSWSA-N 1 3 305.510 2.569 20 0 DFADHO CC(C)C[N@@H+]1CC[C@@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC000644588678 430761224 /nfs/dbraw/zinc/76/12/24/430761224.db2.gz FJSSIBTYVGJWMK-HNNXBMFYSA-N 1 3 321.440 2.722 20 0 DFADHO CC(C)C[N@H+]1CC[C@@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC000644588678 430761229 /nfs/dbraw/zinc/76/12/29/430761229.db2.gz FJSSIBTYVGJWMK-HNNXBMFYSA-N 1 3 321.440 2.722 20 0 DFADHO COC[C@H](CC1CCOCC1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000657988530 430780275 /nfs/dbraw/zinc/78/02/75/430780275.db2.gz AXJVTMUVATWTHO-KRWDZBQOSA-N 1 3 312.498 2.530 20 0 DFADHO COC[C@H](CC1CCOCC1)NCC(C)(C)C[NH+]1CCCC1 ZINC000657988530 430780282 /nfs/dbraw/zinc/78/02/82/430780282.db2.gz AXJVTMUVATWTHO-KRWDZBQOSA-N 1 3 312.498 2.530 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1cc2cnccc2o1 ZINC000658106238 430812796 /nfs/dbraw/zinc/81/27/96/430812796.db2.gz GRXCSCFJNXRMTG-GJZGRUSLSA-N 1 3 318.465 2.750 20 0 DFADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1cc(F)ccc1F ZINC000658109713 430814889 /nfs/dbraw/zinc/81/48/89/430814889.db2.gz VJALTPMIFWLCHV-UONOGXRCSA-N 1 3 313.436 2.887 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1ccc(F)cc1F ZINC000658109134 430815641 /nfs/dbraw/zinc/81/56/41/430815641.db2.gz QZLIWGTVVNADSB-KBPBESRZSA-N 1 3 313.436 2.887 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C1CCC1 ZINC000658136416 430820286 /nfs/dbraw/zinc/82/02/86/430820286.db2.gz IEPVQRUHIOKYHX-RBUKOAKNSA-N 1 3 302.462 2.922 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)C1 ZINC000658136535 430820435 /nfs/dbraw/zinc/82/04/35/430820435.db2.gz HKEPRKREIOWQED-ZWKOTPCHSA-N 1 3 300.446 2.676 20 0 DFADHO CCCC[C@H](COC)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658138568 430822875 /nfs/dbraw/zinc/82/28/75/430822875.db2.gz JJWAYDRCSTURHE-RTBURBONSA-N 1 3 320.477 2.548 20 0 DFADHO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658140348 430823298 /nfs/dbraw/zinc/82/32/98/430823298.db2.gz PZZNQKRZHZBRNE-QZTJIDSGSA-N 1 3 302.462 2.922 20 0 DFADHO CC1CCN(CCC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000314774016 278540231 /nfs/dbraw/zinc/54/02/31/278540231.db2.gz KBDGGSNTPAOJGF-ZIAGYGMSSA-N 1 3 308.388 2.808 20 0 DFADHO CC1CCN([C@@H](CNC(=O)C2([NH3+])CCC2)c2cccs2)CC1 ZINC000296915326 278549976 /nfs/dbraw/zinc/54/99/76/278549976.db2.gz RQSZXFMCMDWEAT-AWEZNQCLSA-N 1 3 321.490 2.519 20 0 DFADHO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc(OCCN(C)C)c1 ZINC000658058029 430796548 /nfs/dbraw/zinc/79/65/48/430796548.db2.gz LCZZZWBLBFJWAJ-HOCLYGCPSA-N 1 3 306.450 2.845 20 0 DFADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000665234736 430863449 /nfs/dbraw/zinc/86/34/49/430863449.db2.gz JMQWBBDCERURAQ-OFQRWUPVSA-N 1 3 307.869 2.883 20 0 DFADHO N[C@H]1CCCCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000665240634 430866931 /nfs/dbraw/zinc/86/69/31/430866931.db2.gz PMNUWMQYJVLLJB-RBUKOAKNSA-N 1 3 316.493 2.543 20 0 DFADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CCOC[C@H]2C)cc1 ZINC000665254995 430870181 /nfs/dbraw/zinc/87/01/81/430870181.db2.gz GCFGMIATQSQTFB-FDPIWHGQSA-N 1 3 318.461 2.545 20 0 DFADHO COc1ccc([C@H]2CC[NH2+]C[C@H]2N[C@@H]2CCC[C@H](OC)C2)cc1 ZINC000665256018 430873322 /nfs/dbraw/zinc/87/33/22/430873322.db2.gz LPLLVRFMJMKYJH-QXCFHYIPSA-N 1 3 318.461 2.688 20 0 DFADHO C[C@H](NCC1CC[NH+](CC2CC2)CC1)c1cc2n(n1)CCC2 ZINC000658353318 430882513 /nfs/dbraw/zinc/88/25/13/430882513.db2.gz LQQNNGPWLQLTAU-AWEZNQCLSA-N 1 3 302.466 2.602 20 0 DFADHO c1ccc(CN2CC[C@H]2CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000658347048 430882998 /nfs/dbraw/zinc/88/29/98/430882998.db2.gz GKEZKLCJVZLKFW-FQEVSTJZSA-N 1 3 313.489 2.725 20 0 DFADHO c1ccc(CN2CC[C@H]2C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000658347048 430883001 /nfs/dbraw/zinc/88/30/01/430883001.db2.gz GKEZKLCJVZLKFW-FQEVSTJZSA-N 1 3 313.489 2.725 20 0 DFADHO Fc1ccc(OC(F)F)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000665283861 430883414 /nfs/dbraw/zinc/88/34/14/430883414.db2.gz WJLLYKLEGVWEKL-UHIISALHSA-N 1 3 314.351 2.905 20 0 DFADHO CC[N@H+](CCCNC[C@@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000651909548 430913329 /nfs/dbraw/zinc/91/33/29/430913329.db2.gz NZAZTOCDAKYCSZ-MRXNPFEDSA-N 1 3 319.497 2.559 20 0 DFADHO CC[N@@H+](CCCNC[C@@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000651909548 430913337 /nfs/dbraw/zinc/91/33/37/430913337.db2.gz NZAZTOCDAKYCSZ-MRXNPFEDSA-N 1 3 319.497 2.559 20 0 DFADHO COC[C@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000648867130 430919744 /nfs/dbraw/zinc/91/97/44/430919744.db2.gz SGKFYUJQWSDWCL-SFHVURJKSA-N 1 3 320.477 2.876 20 0 DFADHO COC[C@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000648867130 430919748 /nfs/dbraw/zinc/91/97/48/430919748.db2.gz SGKFYUJQWSDWCL-SFHVURJKSA-N 1 3 320.477 2.876 20 0 DFADHO C[N@H+](CCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CCCCC1 ZINC000655349944 430971945 /nfs/dbraw/zinc/97/19/45/430971945.db2.gz MTXPIBLGKOWGLB-MSOLQXFVSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@@H+](CCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CCCCC1 ZINC000655349944 430971950 /nfs/dbraw/zinc/97/19/50/430971950.db2.gz MTXPIBLGKOWGLB-MSOLQXFVSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(-c2ccccc2)cn1 ZINC000652192544 430983344 /nfs/dbraw/zinc/98/33/44/430983344.db2.gz DNXHGGVWCRNRGS-INIZCTEOSA-N 1 3 313.445 2.977 20 0 DFADHO CC[C@@H](Cn1cncn1)NCCC[N@H+](CC)C1CCCCC1 ZINC000652238216 430998856 /nfs/dbraw/zinc/99/88/56/430998856.db2.gz YJXLOOKSJSFXRO-INIZCTEOSA-N 1 3 307.486 2.691 20 0 DFADHO CC[C@@H](Cn1cncn1)NCCC[N@@H+](CC)C1CCCCC1 ZINC000652238216 430998859 /nfs/dbraw/zinc/99/88/59/430998859.db2.gz YJXLOOKSJSFXRO-INIZCTEOSA-N 1 3 307.486 2.691 20 0 DFADHO CCN1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)C[C@@H]1C ZINC000665708724 431010223 /nfs/dbraw/zinc/01/02/23/431010223.db2.gz IDGDJBGWJZAPTQ-ZDUSSCGKSA-N 1 3 315.417 2.782 20 0 DFADHO CCCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(C)C1 ZINC000648998207 430964140 /nfs/dbraw/zinc/96/41/40/430964140.db2.gz GVXMHIILXPPHDB-FUHWJXTLSA-N 1 3 321.509 2.584 20 0 DFADHO CCCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(C)C1 ZINC000648998207 430964144 /nfs/dbraw/zinc/96/41/44/430964144.db2.gz GVXMHIILXPPHDB-FUHWJXTLSA-N 1 3 321.509 2.584 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCc3nsc4ccccc43)C[C@H]21 ZINC000662266197 431021475 /nfs/dbraw/zinc/02/14/75/431021475.db2.gz KMNREYPYPVGZMG-BPLDGKMQSA-N 1 3 301.459 2.898 20 0 DFADHO C[C@H]1CCCN(CCOCCOc2ccccc2)[C@@H]1CC[NH3+] ZINC000652354438 431029427 /nfs/dbraw/zinc/02/94/27/431029427.db2.gz YRDDRJKXJVQBLN-FUHWJXTLSA-N 1 3 306.450 2.531 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)[C@@H]1CCN ZINC000652354745 431030190 /nfs/dbraw/zinc/03/01/90/431030190.db2.gz HFQPJEVXEBSWBU-GDBMZVCRSA-N 1 3 320.433 2.634 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)[C@@H]1CCN ZINC000652354745 431030196 /nfs/dbraw/zinc/03/01/96/431030196.db2.gz HFQPJEVXEBSWBU-GDBMZVCRSA-N 1 3 320.433 2.634 20 0 DFADHO C[C@@H]1CCCN(CCCOc2ccc3c(c2)OCO3)[C@@H]1CC[NH3+] ZINC000652354745 431030199 /nfs/dbraw/zinc/03/01/99/431030199.db2.gz HFQPJEVXEBSWBU-GDBMZVCRSA-N 1 3 320.433 2.634 20 0 DFADHO CCc1nc2c(s1)[C@@H](N(C)C[C@H]1CCC3(C[NH2+]C3)O1)CCC2 ZINC000662278279 431030430 /nfs/dbraw/zinc/03/04/30/431030430.db2.gz DPJVIZXFDMVZFC-OCCSQVGLSA-N 1 3 321.490 2.536 20 0 DFADHO c1cc(C[NH2+][C@@H]2CCCC23CCOCC3)c2c(c1)CNCC2 ZINC000662284725 431032538 /nfs/dbraw/zinc/03/25/38/431032538.db2.gz ZMWBXRPQJMMERL-GOSISDBHSA-N 1 3 300.446 2.771 20 0 DFADHO CO[C@H](CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1 ZINC000662282382 431033602 /nfs/dbraw/zinc/03/36/02/431033602.db2.gz UIYYZGYKVGZKNU-IPMKNSEASA-N 1 3 318.461 2.592 20 0 DFADHO C[C@H](C(=O)Nc1ccccc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295786 431037224 /nfs/dbraw/zinc/03/72/24/431037224.db2.gz UDSPATCBLKRBID-WBVHZDCISA-N 1 3 315.461 2.725 20 0 DFADHO C[C@@H]1CCCN(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313705 431043155 /nfs/dbraw/zinc/04/31/55/431043155.db2.gz XLRGHKPQPWXCKV-UYTYNIKBSA-N 1 3 323.525 2.767 20 0 DFADHO CC1CCC(NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC000662313481 431044006 /nfs/dbraw/zinc/04/40/06/431044006.db2.gz RNCZMLDYAOQAQW-MNAZLIDISA-N 1 3 309.498 2.521 20 0 DFADHO C[C@@H]1CCCN(Cc2nc3ccccc3n2C)[C@@H]1CCC[NH3+] ZINC000662316719 431044272 /nfs/dbraw/zinc/04/42/72/431044272.db2.gz MKOAYAFZPOJBIM-GDBMZVCRSA-N 1 3 300.450 2.913 20 0 DFADHO CC(C)[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1CCCCC1 ZINC000665854813 431051105 /nfs/dbraw/zinc/05/11/05/431051105.db2.gz ACTOVOLCHWTFRK-INIZCTEOSA-N 1 3 323.525 2.922 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000649295492 431059370 /nfs/dbraw/zinc/05/93/70/431059370.db2.gz OSHXDWIMYAJAKI-FUHWJXTLSA-N 1 3 315.461 2.986 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000655444644 431012393 /nfs/dbraw/zinc/01/23/93/431012393.db2.gz LTSVFRKICXAZMC-HKUYNNGSSA-N 1 3 315.461 2.857 20 0 DFADHO OC[C@H](CCF)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000652300576 431014426 /nfs/dbraw/zinc/01/44/26/431014426.db2.gz HBIJYNNXSVQCBM-OKYOBFRVSA-N 1 3 320.452 2.740 20 0 DFADHO OC[C@H](CCF)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000652300576 431014429 /nfs/dbraw/zinc/01/44/29/431014429.db2.gz HBIJYNNXSVQCBM-OKYOBFRVSA-N 1 3 320.452 2.740 20 0 DFADHO Clc1ccc([C@H]2CCCN2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251139 431015693 /nfs/dbraw/zinc/01/56/93/431015693.db2.gz ZVFMXXXNLQINFA-JKSUJKDBSA-N 1 3 306.837 2.998 20 0 DFADHO O=C(C[C@@H]1NCc2ccccc21)Nc1cccc2c1CC[NH2+]C2 ZINC000659297027 431015665 /nfs/dbraw/zinc/01/56/65/431015665.db2.gz RKCQRSUXXODNRK-SFHVURJKSA-N 1 3 307.397 2.505 20 0 DFADHO Fc1ccccc1C1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254894 431016581 /nfs/dbraw/zinc/01/65/81/431016581.db2.gz MMLVKUWHJNDXFY-HNNXBMFYSA-N 1 3 304.409 2.526 20 0 DFADHO Clc1ccc(CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662250280 431016935 /nfs/dbraw/zinc/01/69/35/431016935.db2.gz DAZHTVIBLHNIIK-INIZCTEOSA-N 1 3 306.837 2.825 20 0 DFADHO C[C@@H]1C[C@@H](c2ccccc2F)N(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253979 431017182 /nfs/dbraw/zinc/01/71/82/431017182.db2.gz CTZCVLQARFBKDA-KEYYUXOJSA-N 1 3 304.409 2.730 20 0 DFADHO Clc1ccc([C@@H]2CC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256613 431019098 /nfs/dbraw/zinc/01/90/98/431019098.db2.gz WZPWUSSWDHGGOR-ZBFHGGJFSA-N 1 3 306.837 2.650 20 0 DFADHO Clc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256613 431019100 /nfs/dbraw/zinc/01/91/00/431019100.db2.gz WZPWUSSWDHGGOR-ZBFHGGJFSA-N 1 3 306.837 2.650 20 0 DFADHO CC(C)O[C@@H]1CCN(C/C=C/C[N@@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000645944793 431122927 /nfs/dbraw/zinc/12/29/27/431122927.db2.gz DZCOTOVYVOOAIG-PJHKVULZSA-N 1 3 310.482 2.541 20 0 DFADHO CC(C)O[C@@H]1CCN(C/C=C/C[N@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000645944793 431122938 /nfs/dbraw/zinc/12/29/38/431122938.db2.gz DZCOTOVYVOOAIG-PJHKVULZSA-N 1 3 310.482 2.541 20 0 DFADHO C[C@H]1CCC[C@](CNC(=O)c2cccc3c2CNC3)([NH+](C)C)C1 ZINC000662400760 431070667 /nfs/dbraw/zinc/07/06/67/431070667.db2.gz FLRABBJVOTUSPB-LIRRHRJNSA-N 1 3 315.461 2.530 20 0 DFADHO C[N@H+](CCN1CCN(CC2=CCCC2)CC1)Cc1ccccc1 ZINC000645801276 431077371 /nfs/dbraw/zinc/07/73/71/431077371.db2.gz RZJSZKPNQSPETO-UHFFFAOYSA-N 1 3 313.489 2.846 20 0 DFADHO C[N@@H+](CCN1CCN(CC2=CCCC2)CC1)Cc1ccccc1 ZINC000645801276 431077374 /nfs/dbraw/zinc/07/73/74/431077374.db2.gz RZJSZKPNQSPETO-UHFFFAOYSA-N 1 3 313.489 2.846 20 0 DFADHO CCC[NH+](CCC)CCCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662442947 431081024 /nfs/dbraw/zinc/08/10/24/431081024.db2.gz WLKFQCSYQAFRAT-GOSISDBHSA-N 1 3 317.477 2.849 20 0 DFADHO Cc1cccc2nc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cn21 ZINC000649418045 431096341 /nfs/dbraw/zinc/09/63/41/431096341.db2.gz XOULZRHSYLVDMQ-DLBZAZTESA-N 1 3 312.461 2.854 20 0 DFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000373013150 279035429 /nfs/dbraw/zinc/03/54/29/279035429.db2.gz HQSVBMCDQKYUMT-WMZOPIPTSA-N 1 3 321.509 2.584 20 0 DFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000373013150 279035432 /nfs/dbraw/zinc/03/54/32/279035432.db2.gz HQSVBMCDQKYUMT-WMZOPIPTSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000662693688 431165318 /nfs/dbraw/zinc/16/53/18/431165318.db2.gz LJFKOMIRLJXRNA-XYJFISCASA-N 1 3 317.477 2.559 20 0 DFADHO CCCN1CC[C@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662704285 431167397 /nfs/dbraw/zinc/16/73/97/431167397.db2.gz YHGYSKCIJPHBBF-IRXDYDNUSA-N 1 3 309.498 2.665 20 0 DFADHO CC(C)[NH2+]CCC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000646071463 431170359 /nfs/dbraw/zinc/17/03/59/431170359.db2.gz NWRIEGGBHWNMQJ-RHSMWYFYSA-N 1 3 323.506 2.635 20 0 DFADHO C[C@@H](NC(C)(C)CNC(=O)[C@@H]1[NH2+]CCC1(C)C)c1ccccc1 ZINC000662719460 431173738 /nfs/dbraw/zinc/17/37/38/431173738.db2.gz ZTXPRXGDUBQXKM-ZBFHGGJFSA-N 1 3 317.477 2.620 20 0 DFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662729039 431175052 /nfs/dbraw/zinc/17/50/52/431175052.db2.gz GAXWALAFINKMPP-HNNXBMFYSA-N 1 3 321.509 2.678 20 0 DFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662729039 431175057 /nfs/dbraw/zinc/17/50/57/431175057.db2.gz GAXWALAFINKMPP-HNNXBMFYSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@@H](O)CN(C)C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000659897594 431175186 /nfs/dbraw/zinc/17/51/86/431175186.db2.gz YKXPRKYJYZCOOI-AEFFLSMTSA-N 1 3 316.489 2.884 20 0 DFADHO Cc1ccccc1C1CC[NH+](C[C@@H](O)CN(C)C(C)C)CC1 ZINC000659907229 431183933 /nfs/dbraw/zinc/18/39/33/431183933.db2.gz XQAZGUSKOQGYFP-SFHVURJKSA-N 1 3 304.478 2.876 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@H](O)C(C)C)C2)s1 ZINC000649603424 431190376 /nfs/dbraw/zinc/19/03/76/431190376.db2.gz MALNQVFUCZEVBT-RDJZCZTQSA-N 1 3 310.507 2.827 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@H](O)C(C)C)C2)s1 ZINC000649603424 431190379 /nfs/dbraw/zinc/19/03/79/431190379.db2.gz MALNQVFUCZEVBT-RDJZCZTQSA-N 1 3 310.507 2.827 20 0 DFADHO CC(C)C[C@H](C[NH3+])CC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000662788646 431195704 /nfs/dbraw/zinc/19/57/04/431195704.db2.gz QAIOFOPRJKFEHQ-INIZCTEOSA-N 1 3 311.514 2.576 20 0 DFADHO C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1C[C@@H]1CCCN1C ZINC000649547679 431152481 /nfs/dbraw/zinc/15/24/81/431152481.db2.gz ZOVBPKSONBAINS-HKUYNNGSSA-N 1 3 301.478 2.677 20 0 DFADHO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1C[C@@H]1CCCN1C ZINC000649547679 431152484 /nfs/dbraw/zinc/15/24/84/431152484.db2.gz ZOVBPKSONBAINS-HKUYNNGSSA-N 1 3 301.478 2.677 20 0 DFADHO N[C@@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662668545 431157179 /nfs/dbraw/zinc/15/71/79/431157179.db2.gz OOPFMQILKYVBRF-AEFFLSMTSA-N 1 3 315.461 2.600 20 0 DFADHO N[C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662668545 431157187 /nfs/dbraw/zinc/15/71/87/431157187.db2.gz OOPFMQILKYVBRF-AEFFLSMTSA-N 1 3 315.461 2.600 20 0 DFADHO CC[NH+](CC)[C@@H](CNC(=O)C1(N)CC2(CCC2)C1)CC(C)C ZINC000662673596 431159302 /nfs/dbraw/zinc/15/93/02/431159302.db2.gz OFVMFYFFLDNPQW-OAHLLOKOSA-N 1 3 309.498 2.521 20 0 DFADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@H]2C2CCC2)CC1 ZINC000646138797 431204930 /nfs/dbraw/zinc/20/49/30/431204930.db2.gz WHOSZSKPFLFACT-SFHVURJKSA-N 1 3 321.509 2.630 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000655910574 431212485 /nfs/dbraw/zinc/21/24/85/431212485.db2.gz YQRHNRKBJCATPR-IRXDYDNUSA-N 1 3 316.449 2.592 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000659980827 431218894 /nfs/dbraw/zinc/21/88/94/431218894.db2.gz ZQYAZEDRTCLRCY-NEWSRXKRSA-N 1 3 304.478 2.641 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000659980827 431218902 /nfs/dbraw/zinc/21/89/02/431218902.db2.gz ZQYAZEDRTCLRCY-NEWSRXKRSA-N 1 3 304.478 2.641 20 0 DFADHO NCC[N@H+](CCc1noc2ccccc21)CCc1ccccc1 ZINC000655939075 431225259 /nfs/dbraw/zinc/22/52/59/431225259.db2.gz JGZIXGNAFHNFEL-UHFFFAOYSA-N 1 3 309.413 2.874 20 0 DFADHO NCC[N@@H+](CCc1noc2ccccc21)CCc1ccccc1 ZINC000655939075 431225264 /nfs/dbraw/zinc/22/52/64/431225264.db2.gz JGZIXGNAFHNFEL-UHFFFAOYSA-N 1 3 309.413 2.874 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000655948033 431225623 /nfs/dbraw/zinc/22/56/23/431225623.db2.gz WHTFFUMQAMQNLL-QFBILLFUSA-N 1 3 318.461 2.771 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000655948033 431225632 /nfs/dbraw/zinc/22/56/32/431225632.db2.gz WHTFFUMQAMQNLL-QFBILLFUSA-N 1 3 318.461 2.771 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@H](O)C(C)C ZINC000666446720 431234117 /nfs/dbraw/zinc/23/41/17/431234117.db2.gz JNKLACXSVUVFRR-ZWKOTPCHSA-N 1 3 308.466 2.512 20 0 DFADHO CC(C)OCC(C)(C)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000666463250 431241252 /nfs/dbraw/zinc/24/12/52/431241252.db2.gz SOHPVCGJDZHKLM-UHFFFAOYSA-N 1 3 308.466 2.920 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@H]3[C@H](CCCN3C3CC3)C2)C1 ZINC000660114702 431277289 /nfs/dbraw/zinc/27/72/89/431277289.db2.gz JURFNLGHVZQFOV-RMJJICAUSA-N 1 3 319.537 2.913 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@H]3[C@H](CCCN3C3CC3)C2)C1 ZINC000660114702 431277296 /nfs/dbraw/zinc/27/72/96/431277296.db2.gz JURFNLGHVZQFOV-RMJJICAUSA-N 1 3 319.537 2.913 20 0 DFADHO CC(C)[C@H]([NH3+])CC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646409856 431300439 /nfs/dbraw/zinc/30/04/39/431300439.db2.gz BIYDOPULDBPAQA-QZTJIDSGSA-N 1 3 317.477 2.703 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653122330 431273742 /nfs/dbraw/zinc/27/37/42/431273742.db2.gz UBLCEARUGSWKKW-CVEARBPZSA-N 1 3 301.434 2.526 20 0 DFADHO CC(C)[C@@H](Cc1ccc(F)cc1)NC[C@@H](O)C[N@H+](C)C(C)C ZINC000660213578 431322609 /nfs/dbraw/zinc/32/26/09/431322609.db2.gz SROZNCITDOVIDS-QZTJIDSGSA-N 1 3 310.457 2.684 20 0 DFADHO CC(C)[C@@H](Cc1ccc(F)cc1)NC[C@@H](O)C[N@@H+](C)C(C)C ZINC000660213578 431322615 /nfs/dbraw/zinc/32/26/15/431322615.db2.gz SROZNCITDOVIDS-QZTJIDSGSA-N 1 3 310.457 2.684 20 0 DFADHO CN(C(=O)CCNC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000663279137 431351061 /nfs/dbraw/zinc/35/10/61/431351061.db2.gz FUQVFSJHMXJTJZ-UHFFFAOYSA-N 1 3 317.477 2.938 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H]1CCCCO1 ZINC000656276682 431352251 /nfs/dbraw/zinc/35/22/51/431352251.db2.gz IBRSQCAUQVMWDX-MSOLQXFVSA-N 1 3 303.450 2.988 20 0 DFADHO c1cc(N2CCC([NH2+][C@H]3CCCN4CCCC[C@@H]34)CC2)ccn1 ZINC000656278446 431352706 /nfs/dbraw/zinc/35/27/06/431352706.db2.gz REKGKERIFOQDIT-OALUTQOASA-N 1 3 314.477 2.657 20 0 DFADHO CCCOc1cc(CN[C@@H]2CC23CC[NH2+]CC3)ccc1OC ZINC000666950927 431420429 /nfs/dbraw/zinc/42/04/29/431420429.db2.gz QVLMZYUEHNRAAH-QGZVFWFLSA-N 1 3 304.434 2.716 20 0 DFADHO COc1cccc(CN[C@H]2CC23CC[NH2+]CC3)c1OC(C)C ZINC000666950789 431420904 /nfs/dbraw/zinc/42/09/04/431420904.db2.gz HZPUBHQYOGKNAG-INIZCTEOSA-N 1 3 304.434 2.714 20 0 DFADHO [NH3+]C[C@H]1CC[C@H](CNCc2ncccc2C(F)(F)F)CC1 ZINC000666956308 431423985 /nfs/dbraw/zinc/42/39/85/431423985.db2.gz PRKYGINYWMYBKW-HAQNSBGRSA-N 1 3 301.356 2.955 20 0 DFADHO CC[C@@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000663369228 431389995 /nfs/dbraw/zinc/38/99/95/431389995.db2.gz ZESZMGJRWMQRDA-ZWKOTPCHSA-N 1 3 302.462 2.649 20 0 DFADHO CN(C)Cc1ccc(C(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000646784945 431394286 /nfs/dbraw/zinc/39/42/86/431394286.db2.gz WPXHHYXBZGZZMP-UHFFFAOYSA-N 1 3 317.477 2.790 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@H]3C[C@@]34CCC[NH2+]C4)n2)cc1 ZINC000653490543 431400525 /nfs/dbraw/zinc/40/05/25/431400525.db2.gz MUOVMTUQCHHFMZ-CRAIPNDOSA-N 1 3 312.417 2.655 20 0 DFADHO CC(C)[C@@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)N(C)C ZINC000278281350 279797362 /nfs/dbraw/zinc/79/73/62/279797362.db2.gz PXVVBLHYJZOUTO-MSOLQXFVSA-N 1 3 313.445 2.542 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995340 431438934 /nfs/dbraw/zinc/43/89/34/431438934.db2.gz KJQQWQYSQHMKQZ-CJNGLKHVSA-N 1 3 319.424 2.807 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995340 431438937 /nfs/dbraw/zinc/43/89/37/431438937.db2.gz KJQQWQYSQHMKQZ-CJNGLKHVSA-N 1 3 319.424 2.807 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)cn1 ZINC000663465977 431431391 /nfs/dbraw/zinc/43/13/91/431431391.db2.gz MMKMZCRNDAQIEQ-MAUKXSAKSA-N 1 3 317.477 2.733 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663465977 431431394 /nfs/dbraw/zinc/43/13/94/431431394.db2.gz MMKMZCRNDAQIEQ-MAUKXSAKSA-N 1 3 317.477 2.733 20 0 DFADHO COc1ccc(C[C@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663465977 431431401 /nfs/dbraw/zinc/43/14/01/431431401.db2.gz MMKMZCRNDAQIEQ-MAUKXSAKSA-N 1 3 317.477 2.733 20 0 DFADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C12CCC2 ZINC000663468553 431434022 /nfs/dbraw/zinc/43/40/22/431434022.db2.gz MBYYMOXIYHDUCV-LAVFITLUSA-N 1 3 306.494 2.902 20 0 DFADHO C[C@H]1C[N@H+](Cc2ccccc2)CCN1CCCc1cncn1C ZINC000653557723 431434475 /nfs/dbraw/zinc/43/44/75/431434475.db2.gz FAJMPZNGNZPPJW-KRWDZBQOSA-N 1 3 312.461 2.559 20 0 DFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCCc1cncn1C ZINC000653557723 431434481 /nfs/dbraw/zinc/43/44/81/431434481.db2.gz FAJMPZNGNZPPJW-KRWDZBQOSA-N 1 3 312.461 2.559 20 0 DFADHO Oc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000656575234 431434599 /nfs/dbraw/zinc/43/45/99/431434599.db2.gz GCWFGVWKLKLRAU-SFHVURJKSA-N 1 3 323.440 2.903 20 0 DFADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)[C@@H]2CCCO[C@H]21 ZINC000663471824 431435497 /nfs/dbraw/zinc/43/54/97/431435497.db2.gz YNWYLAJMFXREBE-WNRNVDISSA-N 1 3 306.494 2.902 20 0 DFADHO FC(F)(F)CCN1CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000666995202 431436996 /nfs/dbraw/zinc/43/69/96/431436996.db2.gz GFHDGBZEUZDXRS-AWEZNQCLSA-N 1 3 319.415 2.668 20 0 DFADHO CC(C)(C)c1n[nH]cc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784016 431519059 /nfs/dbraw/zinc/51/90/59/431519059.db2.gz CEAKDBXWIFXYPA-HNNXBMFYSA-N 1 3 304.482 2.919 20 0 DFADHO COc1ccc(OC)c(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656784741 431522151 /nfs/dbraw/zinc/52/21/51/431522151.db2.gz GTLCAWWMHALOIY-MRXNPFEDSA-N 1 3 318.461 2.915 20 0 DFADHO Clc1ccccc1N1CC[C@@H](C[NH2+]C[C@@H]2CCCNC2)C1 ZINC000656787879 431523093 /nfs/dbraw/zinc/52/30/93/431523093.db2.gz YCMBFABKTCGLOG-CABCVRRESA-N 1 3 307.869 2.756 20 0 DFADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CO[C@H](C)C2)cc1 ZINC000647171931 431492790 /nfs/dbraw/zinc/49/27/90/431492790.db2.gz AWDOPETXZNNTCC-WBVHZDCISA-N 1 3 306.450 2.674 20 0 DFADHO CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000660562747 431494368 /nfs/dbraw/zinc/49/43/68/431494368.db2.gz NTPDVMAJKPNCFE-HZSPNIEDSA-N 1 3 310.404 2.740 20 0 DFADHO CC(C)[N@@H+](C)C[C@@H](O)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000660562747 431494383 /nfs/dbraw/zinc/49/43/83/431494383.db2.gz NTPDVMAJKPNCFE-HZSPNIEDSA-N 1 3 310.404 2.740 20 0 DFADHO CC(C)Cn1nccc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000647184927 431498862 /nfs/dbraw/zinc/49/88/62/431498862.db2.gz IILOHCKARFVUOC-IAGOWNOFSA-N 1 3 322.497 2.518 20 0 DFADHO CC(C)C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccncc1 ZINC000647284530 431535000 /nfs/dbraw/zinc/53/50/00/431535000.db2.gz UAXPFJPDEOJERH-GOSISDBHSA-N 1 3 305.466 2.605 20 0 DFADHO COc1ccc([C@@H](CC(C)C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000647289636 431538415 /nfs/dbraw/zinc/53/84/15/431538415.db2.gz AONUBCCUWIIWPB-GOSISDBHSA-N 1 3 320.477 2.829 20 0 DFADHO COc1ccc([C@H](CC(C)C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000647289637 431538563 /nfs/dbraw/zinc/53/85/63/431538563.db2.gz AONUBCCUWIIWPB-SFHVURJKSA-N 1 3 320.477 2.829 20 0 DFADHO O[C@H](Cc1ccccc1)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660678703 431548120 /nfs/dbraw/zinc/54/81/20/431548120.db2.gz ZCASQHLQYSPXBJ-OAQYLSRUSA-N 1 3 324.468 2.844 20 0 DFADHO C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CCN1C ZINC000174514294 280008530 /nfs/dbraw/zinc/00/85/30/280008530.db2.gz MBBLXPVEYUQWOP-QFBILLFUSA-N 1 3 301.478 2.723 20 0 DFADHO CC(C)[C@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)N(C)C ZINC000278281359 280178607 /nfs/dbraw/zinc/17/86/07/280178607.db2.gz PXVVBLHYJZOUTO-ZWKOTPCHSA-N 1 3 313.445 2.542 20 0 DFADHO C[S@](=O)C1(CNC2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000367162458 280179407 /nfs/dbraw/zinc/17/94/07/280179407.db2.gz BNCCCRPZQXJCPL-NRFANRHFSA-N 1 3 312.523 2.674 20 0 DFADHO CC(C)[C@H](CO)N(CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000245704237 280260669 /nfs/dbraw/zinc/26/06/69/280260669.db2.gz RVHFJGRQJGGJHM-MOPGFXCFSA-N 1 3 304.478 2.990 20 0 DFADHO CC(C)[C@H](CO)N(CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000245704237 280260671 /nfs/dbraw/zinc/26/06/71/280260671.db2.gz RVHFJGRQJGGJHM-MOPGFXCFSA-N 1 3 304.478 2.990 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000164591185 280274704 /nfs/dbraw/zinc/27/47/04/280274704.db2.gz NKZGIWHXJWDMQS-QAPCUYQASA-N 1 3 317.477 2.661 20 0 DFADHO CC(C)[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000164591185 280274708 /nfs/dbraw/zinc/27/47/08/280274708.db2.gz NKZGIWHXJWDMQS-QAPCUYQASA-N 1 3 317.477 2.661 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)C1 ZINC000650705866 431652890 /nfs/dbraw/zinc/65/28/90/431652890.db2.gz ZFTOOUFLHNBGAE-CKEIUWERSA-N 1 3 310.388 2.683 20 0 DFADHO Cc1ccc(F)cc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708377 431657617 /nfs/dbraw/zinc/65/76/17/431657617.db2.gz YVLJAXUVBKGGDA-QGTPRVQTSA-N 1 3 306.425 2.852 20 0 DFADHO Cc1ccc(-c2nn(C)cc2CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000647511819 431611847 /nfs/dbraw/zinc/61/18/47/431611847.db2.gz ILBQRVANDJHMKZ-BPUTZDHNSA-N 1 3 314.433 2.548 20 0 DFADHO COc1cccc(CC2CCN(C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000647518387 431614174 /nfs/dbraw/zinc/61/41/74/431614174.db2.gz FEHZFNRWRIZFPN-SFHVURJKSA-N 1 3 302.462 2.949 20 0 DFADHO COc1cccc(CC2CC[NH+](C[C@H]3CCCNC3)CC2)c1 ZINC000647518387 431614177 /nfs/dbraw/zinc/61/41/77/431614177.db2.gz FEHZFNRWRIZFPN-SFHVURJKSA-N 1 3 302.462 2.949 20 0 DFADHO C[N@@H+]1CCC[C@@H](CCNCc2ncccc2C(F)(F)F)C1 ZINC000657182733 431619724 /nfs/dbraw/zinc/61/97/24/431619724.db2.gz MWOVBASZDCSWDE-LBPRGKRZSA-N 1 3 301.356 2.922 20 0 DFADHO C[N@H+]1CCC[C@@H](CCNCc2ncccc2C(F)(F)F)C1 ZINC000657182733 431619729 /nfs/dbraw/zinc/61/97/29/431619729.db2.gz MWOVBASZDCSWDE-LBPRGKRZSA-N 1 3 301.356 2.922 20 0 DFADHO c1cc2c(c(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c1)OCO2 ZINC000647542944 431623862 /nfs/dbraw/zinc/62/38/62/431623862.db2.gz FAVXDTGZRLBEBL-LSDHHAIUSA-N 1 3 302.418 2.627 20 0 DFADHO C(c1nc2c(s1)CCCC2)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545729 431624703 /nfs/dbraw/zinc/62/47/03/431624703.db2.gz JVLFVCOXNRGAIB-KBPBESRZSA-N 1 3 305.491 2.843 20 0 DFADHO COc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543912 431625061 /nfs/dbraw/zinc/62/50/61/431625061.db2.gz UJGUOSIYLMFBOP-SJORKVTESA-N 1 3 318.461 2.915 20 0 DFADHO C[NH2+]Cc1ccccc1CNCc1cn(-c2ccncc2)nc1C ZINC000650719151 431661254 /nfs/dbraw/zinc/66/12/54/431661254.db2.gz FUQJFRIEKWSEGX-UHFFFAOYSA-N 1 3 321.428 2.585 20 0 DFADHO COc1ccc(C)cc1CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650721867 431664428 /nfs/dbraw/zinc/66/44/28/431664428.db2.gz DTMVLUJFXQVYLS-LMMKCTJWSA-N 1 3 318.461 2.864 20 0 DFADHO Cc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1F ZINC000650723414 431666467 /nfs/dbraw/zinc/66/64/67/431666467.db2.gz NMEWTXAHXDAVAV-JQHSSLGASA-N 1 3 306.425 2.995 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2scnc2C2CC2)C1 ZINC000650725214 431667834 /nfs/dbraw/zinc/66/78/34/431667834.db2.gz VVILKLVHRLHUJR-QLFBSQMISA-N 1 3 321.490 2.881 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2ccccc2F)CCC1 ZINC000650740749 431676064 /nfs/dbraw/zinc/67/60/64/431676064.db2.gz PZJUBQSHAOQYCD-JJRVBVJISA-N 1 3 306.425 2.589 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740749 431676065 /nfs/dbraw/zinc/67/60/65/431676065.db2.gz PZJUBQSHAOQYCD-JJRVBVJISA-N 1 3 306.425 2.589 20 0 DFADHO C[NH2+]Cc1ccccc1CN[C@H]1COc2ccc(OC)cc2C1 ZINC000650756143 431682283 /nfs/dbraw/zinc/68/22/83/431682283.db2.gz VJTMJOLVHLTIBQ-QGZVFWFLSA-N 1 3 312.413 2.508 20 0 DFADHO c1cnc(OC2CCCC2)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647793319 431690423 /nfs/dbraw/zinc/69/04/23/431690423.db2.gz TXZDXZBDBJAVMP-BHYGNILZSA-N 1 3 315.461 2.881 20 0 DFADHO Cc1cccc2nc(CC[NH2+][C@H]3C[C@H](N)c4ccccc43)cn21 ZINC000647804141 431693159 /nfs/dbraw/zinc/69/31/59/431693159.db2.gz JUPGAOCLOMVJSS-ROUUACIJSA-N 1 3 306.413 2.920 20 0 DFADHO C[NH+]1CCC(CNCc2cc(F)ccc2OC(F)F)CC1 ZINC000657348849 431693473 /nfs/dbraw/zinc/69/34/73/431693473.db2.gz JYFOHTNQEWDUMR-UHFFFAOYSA-N 1 3 302.340 2.859 20 0 DFADHO CCOc1cccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650721749 431664028 /nfs/dbraw/zinc/66/40/28/431664028.db2.gz ABZRWEFCYWIBFG-QXAKKESOSA-N 1 3 318.461 2.946 20 0 DFADHO C[C@H]1Cc2ccccc2[C@H]1NC1CC[NH+](CC(C)(C)O)CC1 ZINC000647909575 431727120 /nfs/dbraw/zinc/72/71/20/431727120.db2.gz YMELGZKXRYYYHS-KSSFIOAISA-N 1 3 302.462 2.745 20 0 DFADHO Cc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000664314426 431734136 /nfs/dbraw/zinc/73/41/36/431734136.db2.gz KPDNJONOFGDUNZ-HNNXBMFYSA-N 1 3 320.481 2.697 20 0 DFADHO Cc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000664314426 431734141 /nfs/dbraw/zinc/73/41/41/431734141.db2.gz KPDNJONOFGDUNZ-HNNXBMFYSA-N 1 3 320.481 2.697 20 0 DFADHO CC[C@@H]1CN(CCC(=O)Nc2ccccc2SC)CC[C@H]1[NH3+] ZINC000647938303 431739669 /nfs/dbraw/zinc/73/96/69/431739669.db2.gz JHRVZKJKPXMLSW-ZIAGYGMSSA-N 1 3 321.490 2.796 20 0 DFADHO Cc1ccc(C(C)(C)C[N@@H+](C)C[C@H](O)CN(C)C(C)C)cc1 ZINC000647965018 431756199 /nfs/dbraw/zinc/75/61/99/431756199.db2.gz BXMPIJGSYMACNH-SFHVURJKSA-N 1 3 306.494 2.906 20 0 DFADHO Cc1ccc(C(C)(C)C[N@H+](C)C[C@H](O)CN(C)C(C)C)cc1 ZINC000647965018 431756202 /nfs/dbraw/zinc/75/62/02/431756202.db2.gz BXMPIJGSYMACNH-SFHVURJKSA-N 1 3 306.494 2.906 20 0 DFADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978281 431761597 /nfs/dbraw/zinc/76/15/97/431761597.db2.gz PIBJBXGVHOKFAM-KSZLIROESA-N 1 3 323.525 2.591 20 0 DFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NC1CCCCCC1 ZINC000647975271 431761613 /nfs/dbraw/zinc/76/16/13/431761613.db2.gz TYYQAXMLQZJDPP-SJORKVTESA-N 1 3 321.509 2.537 20 0 DFADHO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000661230729 431788735 /nfs/dbraw/zinc/78/87/35/431788735.db2.gz CORTYXGKNMMBBT-WBVHZDCISA-N 1 3 319.493 2.820 20 0 DFADHO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000664455694 431782616 /nfs/dbraw/zinc/78/26/16/431782616.db2.gz DCKFATHJGDFAIG-UHFFFAOYSA-N 1 3 320.481 2.990 20 0 DFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000664455694 431782619 /nfs/dbraw/zinc/78/26/19/431782619.db2.gz DCKFATHJGDFAIG-UHFFFAOYSA-N 1 3 320.481 2.990 20 0 DFADHO CO[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613263 431825008 /nfs/dbraw/zinc/82/50/08/431825008.db2.gz JZIWNHWSNZGBSX-MOPGFXCFSA-N 1 3 317.477 2.841 20 0 DFADHO CO[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613265 431825194 /nfs/dbraw/zinc/82/51/94/431825194.db2.gz JZIWNHWSNZGBSX-RBUKOAKNSA-N 1 3 317.477 2.841 20 0 DFADHO Cc1[nH+]c2ccccc2c(N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1C ZINC000302088409 282073176 /nfs/dbraw/zinc/07/31/76/282073176.db2.gz OJOWKKMOZJQOSR-UONOGXRCSA-N 1 3 313.445 2.743 20 0 DFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418577518 289153029 /nfs/dbraw/zinc/15/30/29/289153029.db2.gz IHURBCVUNNDSAN-SJORKVTESA-N 1 3 324.513 2.554 20 0 DFADHO COC[C@H](C)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000375020251 293037252 /nfs/dbraw/zinc/03/72/52/293037252.db2.gz MQCAOYNKYLBSSN-HOCLYGCPSA-N 1 3 304.434 2.599 20 0 DFADHO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)[C@@H](C)CN1Cc1ccccc1 ZINC000261774096 297019996 /nfs/dbraw/zinc/01/99/96/297019996.db2.gz DYQJCQXKAMGNDV-ZIFCJYIRSA-N 1 3 301.478 2.581 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](C1CC1)N(C)C ZINC000360414204 297032316 /nfs/dbraw/zinc/03/23/16/297032316.db2.gz ORYFURPKKPLSBW-UXPWSPDFSA-N 1 3 315.505 2.827 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CC[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000438114859 297081098 /nfs/dbraw/zinc/08/10/98/297081098.db2.gz PIWMBTMGLSAVLN-SCTDSRPQSA-N 1 3 324.509 2.624 20 0 DFADHO CCC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccccn1 ZINC000158625120 295365254 /nfs/dbraw/zinc/36/52/54/295365254.db2.gz IGLKZIUTZJBOCD-KRWDZBQOSA-N 1 3 304.482 2.540 20 0 DFADHO Cc1noc(C2CCC([NH2+][C@H]3CCC[C@@H](N(C)C)C3)CC2)n1 ZINC000368032021 295455707 /nfs/dbraw/zinc/45/57/07/295455707.db2.gz WGZZFONZVSZIBF-SSHXOBKSSA-N 1 3 306.454 2.867 20 0 DFADHO C[C@@H]1CCC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397499184 295487966 /nfs/dbraw/zinc/48/79/66/295487966.db2.gz UISMOQIGSUQZJA-SJLPKXTDSA-N 1 3 302.462 2.792 20 0 DFADHO CCCC[C@@H]([NH2+]CC(=O)NC1CCN(CC)CC1)C1CCC1 ZINC000411517639 295543954 /nfs/dbraw/zinc/54/39/54/295543954.db2.gz MZCODGUCZLFODB-QGZVFWFLSA-N 1 3 309.498 2.535 20 0 DFADHO C[C@H]1CC[C@H](C)N1CC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439027180 297112389 /nfs/dbraw/zinc/11/23/89/297112389.db2.gz NMNXWOJTQZCGBG-GJZGRUSLSA-N 1 3 323.506 2.511 20 0 DFADHO C[N@H+](CCNC(=O)[C@@H]1CCCN1C1CCCC1)C1CCCCC1 ZINC000440116452 297144667 /nfs/dbraw/zinc/14/46/67/297144667.db2.gz FCNXOIDZVGIVCI-SFHVURJKSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@@H+](CCNC(=O)[C@@H]1CCCN1C1CCCC1)C1CCCCC1 ZINC000440116452 297144669 /nfs/dbraw/zinc/14/46/69/297144669.db2.gz FCNXOIDZVGIVCI-SFHVURJKSA-N 1 3 321.509 2.774 20 0 DFADHO CCC[NH+]1CCC(CNC(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC000440130433 297145287 /nfs/dbraw/zinc/14/52/87/297145287.db2.gz ISJJAJXSMCPTJK-GOSISDBHSA-N 1 3 321.509 2.632 20 0 DFADHO COC(=O)CC1(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000440498655 297154426 /nfs/dbraw/zinc/15/44/26/297154426.db2.gz ZHTJPVQDXSVZLW-LSDHHAIUSA-N 1 3 308.466 2.572 20 0 DFADHO COC(=O)CC1(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000440498655 297154428 /nfs/dbraw/zinc/15/44/28/297154428.db2.gz ZHTJPVQDXSVZLW-LSDHHAIUSA-N 1 3 308.466 2.572 20 0 DFADHO COC(=O)CC1(C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000440498655 297154429 /nfs/dbraw/zinc/15/44/29/297154429.db2.gz ZHTJPVQDXSVZLW-LSDHHAIUSA-N 1 3 308.466 2.572 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000441150305 297173327 /nfs/dbraw/zinc/17/33/27/297173327.db2.gz CYANHOXCABDTSR-FUHWJXTLSA-N 1 3 317.477 2.844 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000441150305 297173329 /nfs/dbraw/zinc/17/33/29/297173329.db2.gz CYANHOXCABDTSR-FUHWJXTLSA-N 1 3 317.477 2.844 20 0 DFADHO CCCOc1cccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000441353632 297180720 /nfs/dbraw/zinc/18/07/20/297180720.db2.gz GWRYZCNSHJWEPG-UHFFFAOYSA-N 1 3 319.493 2.591 20 0 DFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C(C)(C)c1ccccc1 ZINC000442878473 297209313 /nfs/dbraw/zinc/20/93/13/297209313.db2.gz YZQBPUHZJQGMBF-KRWDZBQOSA-N 1 3 317.521 2.968 20 0 DFADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1OC ZINC000442875241 297209317 /nfs/dbraw/zinc/20/93/17/297209317.db2.gz NOMASVLBNQXQDZ-QGZVFWFLSA-N 1 3 319.493 2.762 20 0 DFADHO CC(C)[C@@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443058440 297213942 /nfs/dbraw/zinc/21/39/42/297213942.db2.gz ADHLTNHNOOPUIS-VQIMIIECSA-N 1 3 317.477 2.561 20 0 DFADHO CCC[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccsc1 ZINC000443101703 297215999 /nfs/dbraw/zinc/21/59/99/297215999.db2.gz MRIARSIMKVSSFR-GDBMZVCRSA-N 1 3 323.506 2.766 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(C)cn2)C[C@H]1C ZINC000447007937 297292821 /nfs/dbraw/zinc/29/28/21/297292821.db2.gz RVKSQZZWDRUIGZ-CVEARBPZSA-N 1 3 318.465 2.523 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(C)cn2)C[C@H]1C ZINC000447007937 297292822 /nfs/dbraw/zinc/29/28/22/297292822.db2.gz RVKSQZZWDRUIGZ-CVEARBPZSA-N 1 3 318.465 2.523 20 0 DFADHO CN(C)Cc1ccc(-c2noc(C[C@H]3CCCC[C@@H]3[NH3+])n2)cc1 ZINC000448546874 297341738 /nfs/dbraw/zinc/34/17/38/297341738.db2.gz OUAMUIOYPLDKLS-CVEARBPZSA-N 1 3 314.433 2.858 20 0 DFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000449105039 297406451 /nfs/dbraw/zinc/40/64/51/297406451.db2.gz BVLHHYXXUHUVTM-IAGOWNOFSA-N 1 3 319.493 2.738 20 0 DFADHO CCCc1ccc2[nH+]ccc(N3CCN(C[C@H](C)O)CC3)c2c1 ZINC000450455698 297634337 /nfs/dbraw/zinc/63/43/37/297634337.db2.gz VLSUAJGQOBHPHD-HNNXBMFYSA-N 1 3 313.445 2.690 20 0 DFADHO C[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCC[C@H](C)C1 ZINC000452066648 297918957 /nfs/dbraw/zinc/91/89/57/297918957.db2.gz LLFLQHVGPRMYCB-JYJNAYRXSA-N 1 3 321.509 2.534 20 0 DFADHO C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000125248705 298008474 /nfs/dbraw/zinc/00/84/74/298008474.db2.gz VKOFDANSSPGWMW-WCXIOVBPSA-N 1 3 321.509 2.723 20 0 DFADHO C[C@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000125248705 298008477 /nfs/dbraw/zinc/00/84/77/298008477.db2.gz VKOFDANSSPGWMW-WCXIOVBPSA-N 1 3 321.509 2.723 20 0 DFADHO COC1([C@H](C)NC2CC[NH+](C3CCCC3)CC2)CCOCC1 ZINC000453132790 298065475 /nfs/dbraw/zinc/06/54/75/298065475.db2.gz MLMLQQVYKDDGGT-HNNXBMFYSA-N 1 3 310.482 2.567 20 0 DFADHO CC(C)(C)[NH+]1CCC(N2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453286906 298080719 /nfs/dbraw/zinc/08/07/19/298080719.db2.gz RKZVHGXUTVCMPP-HNNXBMFYSA-N 1 3 323.525 2.863 20 0 DFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ncccc2C)[C@@H](C)C1 ZINC000453306801 298081974 /nfs/dbraw/zinc/08/19/74/298081974.db2.gz JFTKTEZJBNBLOH-PKOBYXMFSA-N 1 3 319.493 2.659 20 0 DFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ncccc2C)[C@@H](C)C1 ZINC000453306801 298081977 /nfs/dbraw/zinc/08/19/77/298081977.db2.gz JFTKTEZJBNBLOH-PKOBYXMFSA-N 1 3 319.493 2.659 20 0 DFADHO CC[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)[C@@H](O)CC ZINC000453338871 298085029 /nfs/dbraw/zinc/08/50/29/298085029.db2.gz BFCUESIDVJUWKX-QGTPRVQTSA-N 1 3 308.466 2.827 20 0 DFADHO CC(C)OCCOC1CCN([C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000453354433 298086750 /nfs/dbraw/zinc/08/67/50/298086750.db2.gz JSCXVVDDUVRRLA-IRXDYDNUSA-N 1 3 310.482 2.519 20 0 DFADHO CC(C)OCCOC1CCN([C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000453354433 298086751 /nfs/dbraw/zinc/08/67/51/298086751.db2.gz JSCXVVDDUVRRLA-IRXDYDNUSA-N 1 3 310.482 2.519 20 0 DFADHO C[N@H+](CCCCNCc1cn2cc(Cl)ccc2n1)C1CC1 ZINC000453599519 298103383 /nfs/dbraw/zinc/10/33/83/298103383.db2.gz RMWFUBSSLPJNTC-UHFFFAOYSA-N 1 3 306.841 2.952 20 0 DFADHO C[N@@H+](CCCCNCc1cn2cc(Cl)ccc2n1)C1CC1 ZINC000453599519 298103386 /nfs/dbraw/zinc/10/33/86/298103386.db2.gz RMWFUBSSLPJNTC-UHFFFAOYSA-N 1 3 306.841 2.952 20 0 DFADHO CN1CCC(CC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000456272912 298484841 /nfs/dbraw/zinc/48/48/41/298484841.db2.gz LSXCNYUWNZRQAU-GOSISDBHSA-N 1 3 315.461 2.906 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC000497169277 300172352 /nfs/dbraw/zinc/17/23/52/300172352.db2.gz UBXQTFKPEMALKI-CABCVRRESA-N 1 3 313.486 2.706 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC000497169277 300172353 /nfs/dbraw/zinc/17/23/53/300172353.db2.gz UBXQTFKPEMALKI-CABCVRRESA-N 1 3 313.486 2.706 20 0 DFADHO C[C@@H](NCCc1nc2ccccc2n1C(F)F)[C@H]1CCC[NH2+]C1 ZINC000514667613 300265262 /nfs/dbraw/zinc/26/52/62/300265262.db2.gz AITUUPRQHRTBNH-OLZOCXBDSA-N 1 3 322.403 2.952 20 0 DFADHO FC(F)(F)CN1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000515053404 300287029 /nfs/dbraw/zinc/28/70/29/300287029.db2.gz YBQXGQGBKKWNDA-ZQDZILKHSA-N 1 3 319.415 2.523 20 0 DFADHO COCC1(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000515365310 300302582 /nfs/dbraw/zinc/30/25/82/300302582.db2.gz WIQFXGWDHOFNFC-BCDXTJNWSA-N 1 3 300.446 2.951 20 0 DFADHO COCC1(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000515365310 300302584 /nfs/dbraw/zinc/30/25/84/300302584.db2.gz WIQFXGWDHOFNFC-BCDXTJNWSA-N 1 3 300.446 2.951 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCCNC2)c1C ZINC000516423627 300342488 /nfs/dbraw/zinc/34/24/88/300342488.db2.gz BBKUIQHZAWQKLN-GOEBONIOSA-N 1 3 303.450 2.752 20 0 DFADHO C[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])c1nc(-c2ccccc2)no1 ZINC000516450507 300342831 /nfs/dbraw/zinc/34/28/31/300342831.db2.gz XOOTWIKPMADSRQ-VHDGCEQUSA-N 1 3 300.406 2.557 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)c1nc(-c2ccccc2)no1 ZINC000516450507 300342834 /nfs/dbraw/zinc/34/28/34/300342834.db2.gz XOOTWIKPMADSRQ-VHDGCEQUSA-N 1 3 300.406 2.557 20 0 DFADHO C[C@H](CN[C@H]1CCC[C@H]1C[NH3+])c1nc(-c2ccccc2)no1 ZINC000516450506 300342913 /nfs/dbraw/zinc/34/29/13/300342913.db2.gz XOOTWIKPMADSRQ-SNPRPXQTSA-N 1 3 300.406 2.557 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CN)c1nc(-c2ccccc2)no1 ZINC000516450506 300342914 /nfs/dbraw/zinc/34/29/14/300342914.db2.gz XOOTWIKPMADSRQ-SNPRPXQTSA-N 1 3 300.406 2.557 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000517230092 300388313 /nfs/dbraw/zinc/38/83/13/300388313.db2.gz XVCHVLIWLGCKNP-WMLDXEAASA-N 1 3 303.450 2.819 20 0 DFADHO CCOc1cc2nccc(N(C)[C@H]3CC[NH2+]C3)c2cc1OCC ZINC000518144324 300418042 /nfs/dbraw/zinc/41/80/42/300418042.db2.gz TXLPWEVSDHMYNK-ZDUSSCGKSA-N 1 3 315.417 2.830 20 0 DFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCNC12CCC2 ZINC000530178653 301026360 /nfs/dbraw/zinc/02/63/60/301026360.db2.gz PKNPHRQYZMPUIV-DYVFJYSZSA-N 1 3 302.418 2.611 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1cccc2c1OC(F)(F)O2 ZINC000530216212 301029976 /nfs/dbraw/zinc/02/99/76/301029976.db2.gz OAVPBOIGHUSTCT-YPMHNXCESA-N 1 3 312.360 2.528 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530216212 301029978 /nfs/dbraw/zinc/02/99/78/301029978.db2.gz OAVPBOIGHUSTCT-YPMHNXCESA-N 1 3 312.360 2.528 20 0 DFADHO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(OCCN(C)C)cc1 ZINC000530217032 301030231 /nfs/dbraw/zinc/03/02/31/301030231.db2.gz FKWAADONCAGAAL-MAUKXSAKSA-N 1 3 317.477 2.562 20 0 DFADHO CCN(C[C@@H](Cc1ccc(F)cc1)OC)[C@@H]1CCC[NH2+]CC1 ZINC000530219446 301031205 /nfs/dbraw/zinc/03/12/05/301031205.db2.gz PPILBSZHYLSLSV-QZTJIDSGSA-N 1 3 308.441 2.847 20 0 DFADHO COc1cccc(C[C@@H]([NH2+][C@@H]2CCNC23CCC3)C2CC2)c1 ZINC000530224318 301031935 /nfs/dbraw/zinc/03/19/35/301031935.db2.gz WBVGTOUEAODRRR-QZTJIDSGSA-N 1 3 300.446 2.891 20 0 DFADHO Fc1ccc2c(c1)[C@@H](N1CCC(CO[C@H]3CC[NH2+]C3)CC1)CC2 ZINC000530239142 301033360 /nfs/dbraw/zinc/03/33/60/301033360.db2.gz DKRVPEDKQWDQTN-HKUYNNGSSA-N 1 3 318.436 2.904 20 0 DFADHO CCOc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530249729 301033968 /nfs/dbraw/zinc/03/39/68/301033968.db2.gz YEZOSCCIBPXCGD-LJQANCHMSA-N 1 3 318.461 2.676 20 0 DFADHO COc1cc(C)ccc1[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000532195802 301136049 /nfs/dbraw/zinc/13/60/49/301136049.db2.gz IHFUOZMESIHPOR-KRWDZBQOSA-N 1 3 319.493 2.682 20 0 DFADHO CC(C)N1CCC[C@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532214722 301137212 /nfs/dbraw/zinc/13/72/12/301137212.db2.gz DHFXCCDUOAWVNI-WLYUNCDWSA-N 1 3 322.415 2.932 20 0 DFADHO C[C@@H](CCC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000532760285 301170648 /nfs/dbraw/zinc/17/06/48/301170648.db2.gz JGCXYUJWUVFXCB-KRWDZBQOSA-N 1 3 319.493 2.522 20 0 DFADHO CC(C)[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CC1 ZINC000540988415 301380077 /nfs/dbraw/zinc/38/00/77/301380077.db2.gz LFIBUVNANQZTAP-RBUKOAKNSA-N 1 3 302.462 2.777 20 0 DFADHO COC1CCN(C2(C[NH2+][C@H]3CCCC[C@@H]3CN)CCCC2)CC1 ZINC000562959219 302018038 /nfs/dbraw/zinc/01/80/38/302018038.db2.gz IQQBPPBWRAOEBV-AEFFLSMTSA-N 1 3 323.525 2.517 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000562958943 302018276 /nfs/dbraw/zinc/01/82/76/302018276.db2.gz YOTPTIUQDUFDMB-KYNGSXCRSA-N 1 3 311.429 2.591 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(N3CCCCCC3)nc2)C1 ZINC000563427316 302071583 /nfs/dbraw/zinc/07/15/83/302071583.db2.gz XODIDMQGVHWFII-IRXDYDNUSA-N 1 3 302.466 2.822 20 0 DFADHO C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@H]1CCCNC1 ZINC000564823386 302161065 /nfs/dbraw/zinc/16/10/65/302161065.db2.gz PNDRAMXIOPEARS-WMZOPIPTSA-N 1 3 301.478 2.881 20 0 DFADHO C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@@H]1CCCNC1 ZINC000564823384 302161357 /nfs/dbraw/zinc/16/13/57/302161357.db2.gz PNDRAMXIOPEARS-FUHWJXTLSA-N 1 3 301.478 2.881 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000565299147 302216245 /nfs/dbraw/zinc/21/62/45/302216245.db2.gz HATMCVSZFMXENL-CQSZACIVSA-N 1 3 319.424 2.703 20 0 DFADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCCc1cncn1C ZINC000566017423 302253980 /nfs/dbraw/zinc/25/39/80/302253980.db2.gz VVJDSJHGYQDOBJ-SJLPKXTDSA-N 1 3 306.498 2.843 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000566087974 302258040 /nfs/dbraw/zinc/25/80/40/302258040.db2.gz IJZCIOSTTMHMEC-JYJNAYRXSA-N 1 3 303.450 2.690 20 0 DFADHO C[C@@H](CC[NH+](C)C)NC[C@@H](O)Cc1ccc2ccccc2c1 ZINC000566615377 302298965 /nfs/dbraw/zinc/29/89/65/302298965.db2.gz IKWDZLUQZNTHPO-KXBFYZLASA-N 1 3 300.446 2.673 20 0 DFADHO Cc1ccc(NC(=O)CC[NH2+]C2CCN(C(C)(C)C)CC2)nc1 ZINC000566772663 302310204 /nfs/dbraw/zinc/31/02/04/302310204.db2.gz PIBRRNCFCMQDSD-UHFFFAOYSA-N 1 3 318.465 2.571 20 0 DFADHO C[NH+](C)[C@H](CNCCC(=O)Nc1cccnc1)C1CCCCC1 ZINC000567160363 302340663 /nfs/dbraw/zinc/34/06/63/302340663.db2.gz DFIWLWMTRPRAGP-QGZVFWFLSA-N 1 3 318.465 2.510 20 0 DFADHO CN1CCC[C@@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC000567263539 302345893 /nfs/dbraw/zinc/34/58/93/302345893.db2.gz DZXDFMOJIRUQQG-LJQANCHMSA-N 1 3 321.509 2.585 20 0 DFADHO CN1CCC[C@@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC000567263539 302345895 /nfs/dbraw/zinc/34/58/95/302345895.db2.gz DZXDFMOJIRUQQG-LJQANCHMSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@@H](NCCc1cccc(C(F)(F)F)n1)[C@@H]1CCC[NH2+]C1 ZINC000567490148 302363999 /nfs/dbraw/zinc/36/39/99/302363999.db2.gz VVCTVFRSGZHEJQ-VXGBXAGGSA-N 1 3 301.356 2.621 20 0 DFADHO C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CCCc2ccccc21 ZINC000567897022 302397416 /nfs/dbraw/zinc/39/74/16/302397416.db2.gz UJJOYERGEYBLAC-ACRUOGEOSA-N 1 3 324.468 2.927 20 0 DFADHO C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CCCc2ccccc21 ZINC000567897022 302397420 /nfs/dbraw/zinc/39/74/20/302397420.db2.gz UJJOYERGEYBLAC-ACRUOGEOSA-N 1 3 324.468 2.927 20 0 DFADHO CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCCc2ccccc21 ZINC000567897022 302397424 /nfs/dbraw/zinc/39/74/24/302397424.db2.gz UJJOYERGEYBLAC-ACRUOGEOSA-N 1 3 324.468 2.927 20 0 DFADHO C[NH+](C)CCOc1cc(CNCc2ccc3[nH]ccc3c2)ccn1 ZINC000568768310 302477138 /nfs/dbraw/zinc/47/71/38/302477138.db2.gz NJTBMNQSLQOUEU-UHFFFAOYSA-N 1 3 324.428 2.793 20 0 DFADHO CN(C)Cc1ccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000568877755 302480873 /nfs/dbraw/zinc/48/08/73/302480873.db2.gz XLLMYVRIKGWNCW-FQEVSTJZSA-N 1 3 323.440 2.618 20 0 DFADHO CN(C)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000569084968 302497629 /nfs/dbraw/zinc/49/76/29/302497629.db2.gz NGKKFSXGXOXPOG-GOSISDBHSA-N 1 3 324.428 2.714 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCCCC[NH2+]1)c1ccsc1 ZINC000572123278 302644464 /nfs/dbraw/zinc/64/44/64/302644464.db2.gz HFWWBAZFAWVHPQ-CVEARBPZSA-N 1 3 323.506 2.779 20 0 DFADHO C[C@H](CCNC(=O)[C@H](C)N1CCCCCC1)[NH+]1CCCCC1 ZINC000182224294 316091100 /nfs/dbraw/zinc/09/11/00/316091100.db2.gz GVQJBTSHOKOWFW-SJORKVTESA-N 1 3 309.498 2.632 20 0 DFADHO COc1ccc(C[C@H](C)CN2CC[C@H](C[NH+](C)C)C2)cc1F ZINC000185321964 316185864 /nfs/dbraw/zinc/18/58/64/316185864.db2.gz XAMPAJWHTRDVGC-GOEBONIOSA-N 1 3 308.441 2.896 20 0 DFADHO CC[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C)cc1 ZINC000346111991 316318168 /nfs/dbraw/zinc/31/81/68/316318168.db2.gz VIYSMWFFIOBIBP-QZTJIDSGSA-N 1 3 317.477 2.623 20 0 DFADHO CC[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C)cc1 ZINC000346111991 316318171 /nfs/dbraw/zinc/31/81/71/316318171.db2.gz VIYSMWFFIOBIBP-QZTJIDSGSA-N 1 3 317.477 2.623 20 0 DFADHO Cc1ccc([C@@H](C)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)c1 ZINC000346104209 316318227 /nfs/dbraw/zinc/31/82/27/316318227.db2.gz QJBZLNYGZYMPEQ-IAGOWNOFSA-N 1 3 317.477 2.541 20 0 DFADHO Cc1ccc([C@@H](C)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(C)c1 ZINC000346104209 316318229 /nfs/dbraw/zinc/31/82/29/316318229.db2.gz QJBZLNYGZYMPEQ-IAGOWNOFSA-N 1 3 317.477 2.541 20 0 DFADHO C[C@@H](C[NH3+])c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000414629027 316636250 /nfs/dbraw/zinc/63/62/50/316636250.db2.gz TTXPNKPSVWROAH-ZDUSSCGKSA-N 1 3 300.406 2.785 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(Br)c(F)c1 ZINC000414811862 316665193 /nfs/dbraw/zinc/66/51/93/316665193.db2.gz WTYQGSZVXPHGIL-GWCFXTLKSA-N 1 3 301.203 2.805 20 0 DFADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000450097937 317059226 /nfs/dbraw/zinc/05/92/26/317059226.db2.gz RQZDFGOLPGDWOI-KBAYOESNSA-N 1 3 321.509 2.628 20 0 DFADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000450097937 317059229 /nfs/dbraw/zinc/05/92/29/317059229.db2.gz RQZDFGOLPGDWOI-KBAYOESNSA-N 1 3 321.509 2.628 20 0 DFADHO CCc1ccc2nccc(N3CC[NH+](CC(C)(C)O)CC3)c2c1 ZINC000450304968 317082363 /nfs/dbraw/zinc/08/23/63/317082363.db2.gz OLSYXEPMAXUAGM-UHFFFAOYSA-N 1 3 313.445 2.690 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000450432377 317092282 /nfs/dbraw/zinc/09/22/82/317092282.db2.gz ABXLSCUWAZCRCW-HBFSDRIKSA-N 1 3 316.489 2.959 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000450432377 317092283 /nfs/dbraw/zinc/09/22/83/317092283.db2.gz ABXLSCUWAZCRCW-HBFSDRIKSA-N 1 3 316.489 2.959 20 0 DFADHO c1cnn(CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453140545 317164998 /nfs/dbraw/zinc/16/49/98/317164998.db2.gz QJFRVCIJTWABMX-UFYCRDLUSA-N 1 3 324.472 2.916 20 0 DFADHO c1cnn(CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453140545 317165001 /nfs/dbraw/zinc/16/50/01/317165001.db2.gz QJFRVCIJTWABMX-UFYCRDLUSA-N 1 3 324.472 2.916 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)CO2 ZINC000453206074 317169817 /nfs/dbraw/zinc/16/98/17/317169817.db2.gz HNVHJTSHNKXAEZ-MRXNPFEDSA-N 1 3 318.461 2.710 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(C)c2)[C@H](C)C1 ZINC000453276949 317174868 /nfs/dbraw/zinc/17/48/68/317174868.db2.gz BGQSSUQRNJRHFZ-CRAIPNDOSA-N 1 3 305.466 2.617 20 0 DFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000456705638 317244839 /nfs/dbraw/zinc/24/48/39/317244839.db2.gz IHAZKHGFVBRMFM-CVEARBPZSA-N 1 3 323.525 2.543 20 0 DFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000456705638 317244842 /nfs/dbraw/zinc/24/48/42/317244842.db2.gz IHAZKHGFVBRMFM-CVEARBPZSA-N 1 3 323.525 2.543 20 0 DFADHO CCCCOCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000471025595 317333088 /nfs/dbraw/zinc/33/30/88/317333088.db2.gz NMJYCVIQIYZSLB-KDURUIRLSA-N 1 3 302.462 2.867 20 0 DFADHO CCCCOCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000471025595 317333089 /nfs/dbraw/zinc/33/30/89/317333089.db2.gz NMJYCVIQIYZSLB-KDURUIRLSA-N 1 3 302.462 2.867 20 0 DFADHO CC(C)C1CC([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000488503191 317398280 /nfs/dbraw/zinc/39/82/80/317398280.db2.gz JKXUEIZTDOKRQF-ACBHZAAOSA-N 1 3 302.462 2.777 20 0 DFADHO C[C@H](c1ccccc1F)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240951 317778022 /nfs/dbraw/zinc/77/80/22/317778022.db2.gz OGOHVFNXZRJIOL-GDBMZVCRSA-N 1 3 306.425 2.977 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc2c(c1)OCO2 ZINC000574799923 318041052 /nfs/dbraw/zinc/04/10/52/318041052.db2.gz VZVLDAIIESUDOL-GOEBONIOSA-N 1 3 304.434 2.858 20 0 DFADHO COc1cncc(/C=C\CCN2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000575744556 318080446 /nfs/dbraw/zinc/08/04/46/318080446.db2.gz CPEFKQWFXREJOG-AJNOYIKESA-N 1 3 301.434 2.521 20 0 DFADHO COc1cncc(/C=C\CCN2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000575744556 318080448 /nfs/dbraw/zinc/08/04/48/318080448.db2.gz CPEFKQWFXREJOG-AJNOYIKESA-N 1 3 301.434 2.521 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@@H](N)C2)cc1OC ZINC000575761854 318082035 /nfs/dbraw/zinc/08/20/35/318082035.db2.gz FUMFHMWBJUZGFM-IMJJTQAJSA-N 1 3 306.450 2.742 20 0 DFADHO CN(C)CCOc1cccc(C[NH2+]C[C@@H](O)C2CCCCC2)c1 ZINC000576749509 318147507 /nfs/dbraw/zinc/14/75/07/318147507.db2.gz QRHKUAPNUZZUED-LJQANCHMSA-N 1 3 320.477 2.658 20 0 DFADHO O=C([C@H]1CCCCC[NH2+]1)N1CCCN(CC2CCCCC2)CC1 ZINC000576877737 318156275 /nfs/dbraw/zinc/15/62/75/318156275.db2.gz IJJNWOMCZPZAJL-GOSISDBHSA-N 1 3 321.509 2.633 20 0 DFADHO COc1cc2c(c(CN3CCC(CC[NH3+])CC3)c1)O[C@H](C)C2 ZINC000576948332 318161730 /nfs/dbraw/zinc/16/17/30/318161730.db2.gz UDLFBEKPHHZIAY-CYBMUJFWSA-N 1 3 304.434 2.579 20 0 DFADHO C[C@@H](CNCCC(=O)Nc1cccc(F)c1)C[NH+]1CCCCC1 ZINC000577215695 318178586 /nfs/dbraw/zinc/17/85/86/318178586.db2.gz IPGHTFDZVZNTOX-HNNXBMFYSA-N 1 3 321.440 2.866 20 0 DFADHO C[C@@H](C[NH2+]CCC(=O)Nc1cccc(F)c1)CN1CCCCC1 ZINC000577215695 318178588 /nfs/dbraw/zinc/17/85/88/318178588.db2.gz IPGHTFDZVZNTOX-HNNXBMFYSA-N 1 3 321.440 2.866 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(COC3CCOCC3)cc2)C1 ZINC000577527784 318199766 /nfs/dbraw/zinc/19/97/66/318199766.db2.gz BYYJVPKLLIQUKP-QZTJIDSGSA-N 1 3 318.461 2.742 20 0 DFADHO C[C@@H](Cc1ccsc1)NCc1ccncc1OCC[NH+](C)C ZINC000577539114 318200247 /nfs/dbraw/zinc/20/02/47/318200247.db2.gz SMVXVAAFXCNPHC-AWEZNQCLSA-N 1 3 319.474 2.804 20 0 DFADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000577740105 318213890 /nfs/dbraw/zinc/21/38/90/318213890.db2.gz GOZONXDGSVOFHU-LZWOXQAQSA-N 1 3 314.433 2.818 20 0 DFADHO COc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000577856170 318222059 /nfs/dbraw/zinc/22/20/59/318222059.db2.gz PMUYRTOEIDNUFD-GJZGRUSLSA-N 1 3 324.440 2.813 20 0 DFADHO CC1CCN([C@@H](CNC(=O)CCCC[NH3+])c2ccccc2)CC1 ZINC000577865194 318223103 /nfs/dbraw/zinc/22/31/03/318223103.db2.gz LWVBKWDOJIMDBH-SFHVURJKSA-N 1 3 317.477 2.705 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2c(c1)CNCC2 ZINC000577951723 318228208 /nfs/dbraw/zinc/22/82/08/318228208.db2.gz MUGCWWJTJXIIMB-QGZVFWFLSA-N 1 3 301.434 2.535 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2c(c1)CNCC2 ZINC000577951723 318228210 /nfs/dbraw/zinc/22/82/10/318228210.db2.gz MUGCWWJTJXIIMB-QGZVFWFLSA-N 1 3 301.434 2.535 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000578127548 318239543 /nfs/dbraw/zinc/23/95/43/318239543.db2.gz CVJYNZLMWIKZCM-OCCSQVGLSA-N 1 3 307.413 2.535 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000578127548 318239546 /nfs/dbraw/zinc/23/95/46/318239546.db2.gz CVJYNZLMWIKZCM-OCCSQVGLSA-N 1 3 307.413 2.535 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)Cc2ccc(F)cc2)C1 ZINC000578232249 318246797 /nfs/dbraw/zinc/24/67/97/318246797.db2.gz MVSHZASUQCKIRB-IEBWSBKVSA-N 1 3 322.468 2.687 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)Cc2ccc(F)cc2)C1 ZINC000578232249 318246800 /nfs/dbraw/zinc/24/68/00/318246800.db2.gz MVSHZASUQCKIRB-IEBWSBKVSA-N 1 3 322.468 2.687 20 0 DFADHO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCC(CC[NH3+])CC1 ZINC000578329718 318253904 /nfs/dbraw/zinc/25/39/04/318253904.db2.gz LJKIKCJPLHOZKM-HZPDHXFCSA-N 1 3 317.477 2.622 20 0 DFADHO C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000578638326 318274656 /nfs/dbraw/zinc/27/46/56/318274656.db2.gz VOSPCZCRCCISKN-CRFBAAHOSA-N 1 3 316.445 2.887 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(OCC(F)(F)F)nc1 ZINC000579225112 318315345 /nfs/dbraw/zinc/31/53/45/318315345.db2.gz DWTKZNGDHFFCHI-CHWSQXEVSA-N 1 3 317.355 2.630 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(OCC(F)(F)F)nc1 ZINC000579225115 318315377 /nfs/dbraw/zinc/31/53/77/318315377.db2.gz DWTKZNGDHFFCHI-STQMWFEESA-N 1 3 317.355 2.630 20 0 DFADHO C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)[C@H]1CCCNC1 ZINC000579341987 318323395 /nfs/dbraw/zinc/32/33/95/318323395.db2.gz IKMRMUKRLQQZCG-IRXDYDNUSA-N 1 3 302.462 2.713 20 0 DFADHO C[C@@H](NCCOc1ccc(F)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000579342062 318323531 /nfs/dbraw/zinc/32/35/31/318323531.db2.gz TTZRJIGCLQFYMH-NEPJUHHUSA-N 1 3 300.805 2.836 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)C[C@H]1C ZINC000579577878 318339903 /nfs/dbraw/zinc/33/99/03/318339903.db2.gz PSIWQQZCUDIDHW-LTIDMASMSA-N 1 3 310.482 2.674 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000579613343 318343599 /nfs/dbraw/zinc/34/35/99/318343599.db2.gz MCBPVFUYNZPOOI-QWHCGFSZSA-N 1 3 309.841 2.837 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000579613343 318343602 /nfs/dbraw/zinc/34/36/02/318343602.db2.gz MCBPVFUYNZPOOI-QWHCGFSZSA-N 1 3 309.841 2.837 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000579733023 318351549 /nfs/dbraw/zinc/35/15/49/318351549.db2.gz HELZCHWWDZAYBD-ZWKOTPCHSA-N 1 3 300.446 2.676 20 0 DFADHO Cc1ncc2c(n1)CC[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000579825102 318356449 /nfs/dbraw/zinc/35/64/49/318356449.db2.gz MDCQGHIMNCHACH-PBWTXFEYSA-N 1 3 314.477 2.543 20 0 DFADHO CCOC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000381784852 323295976 /nfs/dbraw/zinc/29/59/76/323295976.db2.gz HDJWJYCCVOSJKY-WZGPROSRSA-N 1 3 302.462 2.912 20 0 DFADHO CCOC[C@H](C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000381784852 323295979 /nfs/dbraw/zinc/29/59/79/323295979.db2.gz HDJWJYCCVOSJKY-WZGPROSRSA-N 1 3 302.462 2.912 20 0 DFADHO CCOC[C@H](C)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000381784852 323295984 /nfs/dbraw/zinc/29/59/84/323295984.db2.gz HDJWJYCCVOSJKY-WZGPROSRSA-N 1 3 302.462 2.912 20 0 DFADHO C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000386573010 323320105 /nfs/dbraw/zinc/32/01/05/323320105.db2.gz MHHPGCXAJBCADQ-YTQUADARSA-N 1 3 301.478 2.771 20 0 DFADHO CN(CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000386870331 323321129 /nfs/dbraw/zinc/32/11/29/323321129.db2.gz KSICQLZDDBXMDB-GUDVDZBRSA-N 1 3 301.478 2.629 20 0 DFADHO NC[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000392138555 323348197 /nfs/dbraw/zinc/34/81/97/323348197.db2.gz CBAYGBPQLVKTPJ-LJQANCHMSA-N 1 3 323.440 2.963 20 0 DFADHO COCCCOc1cccc(CNCc2ccc(C[NH3+])cc2)c1 ZINC000580551403 323402231 /nfs/dbraw/zinc/40/22/31/323402231.db2.gz MLYDFJVHSVGBHT-UHFFFAOYSA-N 1 3 314.429 2.850 20 0 DFADHO CN(CCC[NH+](C)C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000582892103 323755401 /nfs/dbraw/zinc/75/54/01/323755401.db2.gz KYYUKQKLVQNOIY-UHFFFAOYSA-N 1 3 317.477 2.696 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)C1 ZINC000583575436 323882308 /nfs/dbraw/zinc/88/23/08/323882308.db2.gz FKYAVXHJNHFUQX-UPJWGTAASA-N 1 3 311.832 2.917 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000584468555 337344677 /nfs/dbraw/zinc/34/46/77/337344677.db2.gz XHGADTKJGJJYSH-ZNMIVQPWSA-N 1 3 320.481 2.541 20 0 DFADHO c1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)CNCC2 ZINC000584475158 337346233 /nfs/dbraw/zinc/34/62/33/337346233.db2.gz WELYHAHGEUPDJQ-HKUYNNGSSA-N 1 3 300.446 2.723 20 0 DFADHO c1cc2c(cc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1)CNCC2 ZINC000584475158 337346234 /nfs/dbraw/zinc/34/62/34/337346234.db2.gz WELYHAHGEUPDJQ-HKUYNNGSSA-N 1 3 300.446 2.723 20 0 DFADHO Cc1cc(NCc2ccccc2CN2CCC(O)CC2)cc[nH+]1 ZINC000302566941 533997987 /nfs/dbraw/zinc/99/79/87/533997987.db2.gz NRDGKXBBFCOMFM-UHFFFAOYSA-N 1 3 311.429 2.959 20 0 DFADHO CCC[NH+]1CCC(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000156061978 519843325 /nfs/dbraw/zinc/84/33/25/519843325.db2.gz YMXUPLUDMVPKIQ-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO CCCC[C@@H](N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000154563879 521065481 /nfs/dbraw/zinc/06/54/81/521065481.db2.gz YXVFSHFYSJLPQO-CRAIPNDOSA-N 1 3 317.477 2.846 20 0 DFADHO CCOc1ccccc1[C@H](C)[NH2+]CCCN1CCN(CC)CC1 ZINC000154314308 521582586 /nfs/dbraw/zinc/58/25/86/521582586.db2.gz FYUZUZGGMPUANW-KRWDZBQOSA-N 1 3 319.493 2.764 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC(C)C ZINC000361213348 521632856 /nfs/dbraw/zinc/63/28/56/521632856.db2.gz QWLCYTPHUOYVFZ-DLBZAZTESA-N 1 3 311.514 2.543 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC(C)C ZINC000361213348 521632860 /nfs/dbraw/zinc/63/28/60/521632860.db2.gz QWLCYTPHUOYVFZ-DLBZAZTESA-N 1 3 311.514 2.543 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000154334134 521682277 /nfs/dbraw/zinc/68/22/77/521682277.db2.gz MVXIYDCZQWMUOT-HNAYVOBHSA-N 1 3 319.468 2.676 20 0 DFADHO CN(C)Cc1cnc(CNCCCCC[NH+]2CCCC2)s1 ZINC000339498926 521938845 /nfs/dbraw/zinc/93/88/45/521938845.db2.gz ACDZKYAYSOJWDD-UHFFFAOYSA-N 1 3 310.511 2.560 20 0 DFADHO CN1CC[C@@H](CNC(=O)CC(C)(C)[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000366324706 523959890 /nfs/dbraw/zinc/95/98/90/523959890.db2.gz BAUJMTUHVAAOFL-BBRMVZONSA-N 1 3 323.868 2.576 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc(OCCN(C)C)cc1 ZINC000163308201 525416508 /nfs/dbraw/zinc/41/65/08/525416508.db2.gz OIKDPYJRFPBDAX-BQFCYCMXSA-N 1 3 320.477 2.829 20 0 DFADHO Cc1ccc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1C ZINC000128357560 525919217 /nfs/dbraw/zinc/91/92/17/525919217.db2.gz OOVBYWGFUWHEQN-SFHVURJKSA-N 1 3 303.494 2.982 20 0 DFADHO CC(=O)Nc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000294732084 527082488 /nfs/dbraw/zinc/08/24/88/527082488.db2.gz DIRZNNLHGUSRCV-ZBHOBAHQSA-N 1 3 301.434 2.921 20 0 DFADHO NCc1cc(NC(=O)[C@@H]2CCCCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000365963242 527250042 /nfs/dbraw/zinc/25/00/42/527250042.db2.gz OGWHHBIYQLBAMW-ZDUSSCGKSA-N 1 3 315.339 2.635 20 0 DFADHO OC[C@@H](Cc1ccccc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000158169806 527580132 /nfs/dbraw/zinc/58/01/32/527580132.db2.gz MCPGSUAVOWHKID-GOSISDBHSA-N 1 3 302.462 2.587 20 0 DFADHO CCC[C@@](C)(N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309886328 527893712 /nfs/dbraw/zinc/89/37/12/527893712.db2.gz LGPLEXWDAXCVNF-IEBWSBKVSA-N 1 3 317.477 2.532 20 0 DFADHO CCC[C@@](C)(N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309886328 527893717 /nfs/dbraw/zinc/89/37/17/527893717.db2.gz LGPLEXWDAXCVNF-IEBWSBKVSA-N 1 3 317.477 2.532 20 0 DFADHO CC(C)Oc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1 ZINC000316500159 528150213 /nfs/dbraw/zinc/15/02/13/528150213.db2.gz VOGLDMQYRABILK-UHFFFAOYSA-N 1 3 306.450 2.804 20 0 DFADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCCCN2)c1 ZINC000315710228 528197966 /nfs/dbraw/zinc/19/79/66/528197966.db2.gz UBEZPZCEVIHYGV-QGZVFWFLSA-N 1 3 303.450 2.999 20 0 DFADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000292413259 528496654 /nfs/dbraw/zinc/49/66/54/528496654.db2.gz HJUCYKGXPIEWDX-GOSISDBHSA-N 1 3 317.477 2.662 20 0 DFADHO CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236836157 535048267 /nfs/dbraw/zinc/04/82/67/535048267.db2.gz HVCBFGWCFIJDNI-JQHSSLGASA-N 1 3 317.477 2.673 20 0 DFADHO CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236836157 535048271 /nfs/dbraw/zinc/04/82/71/535048271.db2.gz HVCBFGWCFIJDNI-JQHSSLGASA-N 1 3 317.477 2.673 20 0 DFADHO CCC[NH+]1CCC(CNCc2cc(C(=O)OCC)co2)CC1 ZINC000354353410 535352834 /nfs/dbraw/zinc/35/28/34/535352834.db2.gz UEMKYNARLGLZHW-UHFFFAOYSA-N 1 3 308.422 2.668 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000261774450 535460193 /nfs/dbraw/zinc/46/01/93/535460193.db2.gz RGSYANPDCKRJBE-UHFFFAOYSA-N 1 3 314.429 2.923 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1)c1ccccc1 ZINC000261914405 535675781 /nfs/dbraw/zinc/67/57/81/535675781.db2.gz QPCTYBXYNWKMQD-CGTJXYLNSA-N 1 3 317.477 2.574 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000261752563 535676392 /nfs/dbraw/zinc/67/63/92/535676392.db2.gz PCWRJMWYWHFBIG-BPQIPLTHSA-N 1 3 317.477 2.574 20 0 DFADHO CC[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@@H]1CCOC1 ZINC000361176102 535905910 /nfs/dbraw/zinc/90/59/10/535905910.db2.gz UEZVKZYWOPJMPA-MJGOQNOKSA-N 1 3 320.477 2.574 20 0 DFADHO CN(C)Cc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000358248620 536011130 /nfs/dbraw/zinc/01/11/30/536011130.db2.gz MFCQEIDEISMXCV-IRXDYDNUSA-N 1 3 305.441 2.604 20 0 DFADHO CN(C)Cc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000358248620 536011134 /nfs/dbraw/zinc/01/11/34/536011134.db2.gz MFCQEIDEISMXCV-IRXDYDNUSA-N 1 3 305.441 2.604 20 0 DFADHO CN1CCC[C@@H]1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000245967861 536370248 /nfs/dbraw/zinc/37/02/48/536370248.db2.gz ZGHJGTSVOKWNAU-APWZRJJASA-N 1 3 316.445 2.983 20 0 DFADHO COC(=O)c1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261647512 536678115 /nfs/dbraw/zinc/67/81/15/536678115.db2.gz GXYBJFONPCGVRR-MOPGFXCFSA-N 1 3 324.424 2.648 20 0 DFADHO Cc1ccc2nccc(NC3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000680623034 545520495 /nfs/dbraw/zinc/52/04/95/545520495.db2.gz GOMGSUAJWWEZFU-INIZCTEOSA-N 1 3 311.429 2.630 20 0 DFADHO Cn1cncc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000682646966 545891666 /nfs/dbraw/zinc/89/16/66/545891666.db2.gz XNIPPJLVIGTPIM-YQQQUEKLSA-N 1 3 324.472 2.748 20 0 DFADHO Cn1cncc1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000682646966 545891670 /nfs/dbraw/zinc/89/16/70/545891670.db2.gz XNIPPJLVIGTPIM-YQQQUEKLSA-N 1 3 324.472 2.748 20 0 DFADHO Cn1cncc1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000682646966 545891671 /nfs/dbraw/zinc/89/16/71/545891671.db2.gz XNIPPJLVIGTPIM-YQQQUEKLSA-N 1 3 324.472 2.748 20 0 DFADHO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]CCCN(CC)CC ZINC000683142343 545979730 /nfs/dbraw/zinc/97/97/30/545979730.db2.gz PJTGWZDBWXCMGA-IAGOWNOFSA-N 1 3 311.514 2.591 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683927236 546121354 /nfs/dbraw/zinc/12/13/54/546121354.db2.gz HDQXCDIKMQEWFD-UHFFFAOYSA-N 1 3 314.477 2.675 20 0 DFADHO CCC[C@]1(CO)CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000685477481 546359093 /nfs/dbraw/zinc/35/90/93/546359093.db2.gz LMXAIBAERCZQOJ-IBGZPJMESA-N 1 3 320.477 2.612 20 0 DFADHO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000685477481 546359096 /nfs/dbraw/zinc/35/90/96/546359096.db2.gz LMXAIBAERCZQOJ-IBGZPJMESA-N 1 3 320.477 2.612 20 0 DFADHO Cc1nc2ccccc2nc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357086986 282081767 /nfs/dbraw/zinc/08/17/67/282081767.db2.gz RZQIOJLIOYYFSL-MRXNPFEDSA-N 1 3 310.445 2.760 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCC23CCCC3)ccn1 ZINC000189186214 282110144 /nfs/dbraw/zinc/11/01/44/282110144.db2.gz PCYDTGYCVRKVFM-MRXNPFEDSA-N 1 3 303.450 2.834 20 0 DFADHO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000278438147 214152366 /nfs/dbraw/zinc/15/23/66/214152366.db2.gz HJFHBUHGWARHAN-MPGHIAIKSA-N 1 3 306.450 2.703 20 0 DFADHO COc1cccc2cc([C@@H](C)NCCOCC[NH+](C)C)oc21 ZINC000318826770 231175117 /nfs/dbraw/zinc/17/51/17/231175117.db2.gz KSBRPLFSTVRQHK-CYBMUJFWSA-N 1 3 306.406 2.670 20 0 DFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1CCCCC[NH2+]1 ZINC000364462701 295679898 /nfs/dbraw/zinc/67/98/98/295679898.db2.gz PTYKHGWVVZRRRP-HUUCEWRRSA-N 1 3 321.490 2.533 20 0 DFADHO Cc1nccn1[C@@H]1CCCN([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906431 398349642 /nfs/dbraw/zinc/34/96/42/398349642.db2.gz OFYKQWSGQXNCAV-NVXWUHKLSA-N 1 3 318.465 2.620 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccc(Br)s2)C1 ZINC000226359689 398350507 /nfs/dbraw/zinc/35/05/07/398350507.db2.gz WITBCGYVHNMSDH-NXEZZACHSA-N 1 3 303.269 2.913 20 0 DFADHO C[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)N1CCC(C)CC1 ZINC000236716321 398363171 /nfs/dbraw/zinc/36/31/71/398363171.db2.gz NKRLYOJUQXHWRD-WMZOPIPTSA-N 1 3 317.477 2.703 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000369558280 282194906 /nfs/dbraw/zinc/19/49/06/282194906.db2.gz CIQABAYFCHOXII-LTIDMASMSA-N 1 3 304.482 2.909 20 0 DFADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(C(=O)OC)cc1 ZINC000294708887 529593200 /nfs/dbraw/zinc/59/32/00/529593200.db2.gz JKEUGLLNVZFUPI-KRWDZBQOSA-N 1 3 302.418 2.776 20 0 DFADHO CC(C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028807 185278784 /nfs/dbraw/zinc/27/87/84/185278784.db2.gz XULDSGRRSOFICZ-INIZCTEOSA-N 1 3 317.477 2.646 20 0 DFADHO Cc1ccoc1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587419 185327573 /nfs/dbraw/zinc/32/75/73/185327573.db2.gz XDEBGIIGKAQWGU-IYBDPMFKSA-N 1 3 306.450 2.909 20 0 DFADHO Cc1ccoc1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587419 185327574 /nfs/dbraw/zinc/32/75/74/185327574.db2.gz XDEBGIIGKAQWGU-IYBDPMFKSA-N 1 3 306.450 2.909 20 0 DFADHO Cc1ncccc1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000092587500 185327603 /nfs/dbraw/zinc/32/76/03/185327603.db2.gz IMFVKMCAJCJATN-HZPDHXFCSA-N 1 3 317.477 2.711 20 0 DFADHO C[N@@H+]1CC[C@]2(CCN(CCCc3ccc4c(c3)CCO4)C2)C1 ZINC000292710733 529811726 /nfs/dbraw/zinc/81/17/26/529811726.db2.gz DEOGYUIACFMICQ-IBGZPJMESA-N 1 3 300.446 2.582 20 0 DFADHO C[N@H+]1CC[C@]2(CCN(CCCc3ccc4c(c3)CCO4)C2)C1 ZINC000292710733 529811727 /nfs/dbraw/zinc/81/17/27/529811727.db2.gz DEOGYUIACFMICQ-IBGZPJMESA-N 1 3 300.446 2.582 20 0 DFADHO C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000084961412 398411566 /nfs/dbraw/zinc/41/15/66/398411566.db2.gz FAVVYPVKRSRVIU-OAHLLOKOSA-N 1 3 302.418 2.941 20 0 DFADHO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000084961410 398411447 /nfs/dbraw/zinc/41/14/47/398411447.db2.gz FAVVYPVKRSRVIU-HNNXBMFYSA-N 1 3 302.418 2.941 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000298318394 529869396 /nfs/dbraw/zinc/86/93/96/529869396.db2.gz XLDAGTLMSFNLDL-MRXNPFEDSA-N 1 3 317.477 2.533 20 0 DFADHO COC(=O)c1cccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433659 398425771 /nfs/dbraw/zinc/42/57/71/398425771.db2.gz OBQCAKCFLCEMDL-ROUUACIJSA-N 1 3 316.445 2.685 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)Cc1ccc(F)cc1 ZINC000292852392 529930318 /nfs/dbraw/zinc/93/03/18/529930318.db2.gz QSGUXISTZOETBJ-ZWKOTPCHSA-N 1 3 308.441 2.535 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)Cc1ccc(F)cc1 ZINC000292852392 529930320 /nfs/dbraw/zinc/93/03/20/529930320.db2.gz QSGUXISTZOETBJ-ZWKOTPCHSA-N 1 3 308.441 2.535 20 0 DFADHO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCCC1CC[NH2+]CC1 ZINC000592493590 398433408 /nfs/dbraw/zinc/43/34/08/398433408.db2.gz XDBHXNQFVRYGGJ-ZACQAIPSSA-N 1 3 308.466 2.572 20 0 DFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C2CC3(CCC3)C2)C1 ZINC000459456307 299111140 /nfs/dbraw/zinc/11/11/40/299111140.db2.gz DVZSNEKPFNCKCJ-SFHVURJKSA-N 1 3 300.446 2.676 20 0 DFADHO Cn1c2ccccc2nc1CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090050152 398476454 /nfs/dbraw/zinc/47/64/54/398476454.db2.gz REULPLBSXZOQOR-HZPDHXFCSA-N 1 3 312.461 2.722 20 0 DFADHO Cn1c2ccccc2nc1CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090050152 398476456 /nfs/dbraw/zinc/47/64/56/398476456.db2.gz REULPLBSXZOQOR-HZPDHXFCSA-N 1 3 312.461 2.722 20 0 DFADHO O=C(NCCC[NH2+]C1CCN(C2CCCCC2)CC1)C1CCC1 ZINC000090185271 398484483 /nfs/dbraw/zinc/48/44/83/398484483.db2.gz ZSEVCMRDFSDZDC-UHFFFAOYSA-N 1 3 321.509 2.680 20 0 DFADHO O=C(NCCCNC1CC[NH+](C2CCCCC2)CC1)C1CCC1 ZINC000090185271 398484487 /nfs/dbraw/zinc/48/44/87/398484487.db2.gz ZSEVCMRDFSDZDC-UHFFFAOYSA-N 1 3 321.509 2.680 20 0 DFADHO C[C@@H](CCNC1CC[NH+](C2CCCCC2)CC1)[S@@](C)=O ZINC000090516811 398488655 /nfs/dbraw/zinc/48/86/55/398488655.db2.gz JDZPIRQODXPLQT-XOBRGWDASA-N 1 3 300.512 2.530 20 0 DFADHO CCO[C@@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)[C@@H]1SC ZINC000459516756 299123739 /nfs/dbraw/zinc/12/37/39/299123739.db2.gz IIJJEMIQGCONSU-ZNMIVQPWSA-N 1 3 300.512 2.607 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)CN2CCCC2)[C@@H]1SC ZINC000459516756 299123742 /nfs/dbraw/zinc/12/37/42/299123742.db2.gz IIJJEMIQGCONSU-ZNMIVQPWSA-N 1 3 300.512 2.607 20 0 DFADHO c1[nH]nc2cc(CC[NH2+]C3CCN(c4ccncc4)CC3)ccc12 ZINC000459524800 299125304 /nfs/dbraw/zinc/12/53/04/299125304.db2.gz MTVIGLNDFUDHEX-UHFFFAOYSA-N 1 3 321.428 2.759 20 0 DFADHO CCN1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272698709 210104289 /nfs/dbraw/zinc/10/42/89/210104289.db2.gz XYAIWDVVNNOZCC-YZGWKJHDSA-N 1 3 315.505 2.971 20 0 DFADHO CC(C)(C)CC[C@@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459532445 299127352 /nfs/dbraw/zinc/12/73/52/299127352.db2.gz RCXGZMCWDIHCPD-INIZCTEOSA-N 1 3 305.466 2.827 20 0 DFADHO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC[C@@H]1CCCN1C ZINC000091075125 398507953 /nfs/dbraw/zinc/50/79/53/398507953.db2.gz QAUPHQBRZDZRGY-SFHVURJKSA-N 1 3 303.494 2.971 20 0 DFADHO C[C@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCO[C@@H]1C1CC1 ZINC000459540945 299129096 /nfs/dbraw/zinc/12/90/96/299129096.db2.gz VSKJDHLSTZBGBS-RTBURBONSA-N 1 3 315.461 2.845 20 0 DFADHO CC(C)[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000091333573 398526052 /nfs/dbraw/zinc/52/60/52/398526052.db2.gz SPYLXBOILFWUTC-ZWKOTPCHSA-N 1 3 317.477 2.561 20 0 DFADHO CC(C)[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000091333573 398526057 /nfs/dbraw/zinc/52/60/57/398526057.db2.gz SPYLXBOILFWUTC-ZWKOTPCHSA-N 1 3 317.477 2.561 20 0 DFADHO C[C@@H](CN(C)C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000286880282 219206927 /nfs/dbraw/zinc/20/69/27/219206927.db2.gz CJYILLYTKWUTLQ-DSLXNQLJSA-N 1 3 301.478 2.722 20 0 DFADHO CCN1CCN([C@H]2CC[N@H+](Cc3cccc(C(F)F)c3)C2)CC1 ZINC000279693683 215066822 /nfs/dbraw/zinc/06/68/22/215066822.db2.gz IFZCIVPTVLMRSB-KRWDZBQOSA-N 1 3 323.431 2.836 20 0 DFADHO CCN1CCN([C@H]2CC[N@@H+](Cc3cccc(C(F)F)c3)C2)CC1 ZINC000279693683 215066825 /nfs/dbraw/zinc/06/68/25/215066825.db2.gz IFZCIVPTVLMRSB-KRWDZBQOSA-N 1 3 323.431 2.836 20 0 DFADHO COc1ccc(CN(C)C)cc1NC1CC[NH+](C2CC2)CC1 ZINC000319488502 398542755 /nfs/dbraw/zinc/54/27/55/398542755.db2.gz VRNLTEGVLGGUMI-UHFFFAOYSA-N 1 3 303.450 2.796 20 0 DFADHO COc1ccc(C[NH+](C)C)cc1NC1CCN(C2CC2)CC1 ZINC000319488502 398542756 /nfs/dbraw/zinc/54/27/56/398542756.db2.gz VRNLTEGVLGGUMI-UHFFFAOYSA-N 1 3 303.450 2.796 20 0 DFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000091739744 398543130 /nfs/dbraw/zinc/54/31/30/398543130.db2.gz DBNVKSQLODAJSZ-GUYCJALGSA-N 1 3 317.408 2.953 20 0 DFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000091739744 398543131 /nfs/dbraw/zinc/54/31/31/398543131.db2.gz DBNVKSQLODAJSZ-GUYCJALGSA-N 1 3 317.408 2.953 20 0 DFADHO COC(=O)c1ccc(CNCC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000597151983 398577044 /nfs/dbraw/zinc/57/70/44/398577044.db2.gz UGWLEKVQBSZQAQ-CYBMUJFWSA-N 1 3 324.852 2.948 20 0 DFADHO COC(=O)c1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000597151983 398577045 /nfs/dbraw/zinc/57/70/45/398577045.db2.gz UGWLEKVQBSZQAQ-CYBMUJFWSA-N 1 3 324.852 2.948 20 0 DFADHO CS[C@H]1CC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000597193108 398586826 /nfs/dbraw/zinc/58/68/26/398586826.db2.gz VDHMPIMYUOSHSA-SJORKVTESA-N 1 3 305.491 2.777 20 0 DFADHO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000280021295 215317439 /nfs/dbraw/zinc/31/74/39/215317439.db2.gz UAXABOPJFGBDLJ-JKIFEVAISA-N 1 3 310.869 2.878 20 0 DFADHO C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(OCCN(C)C)cc1 ZINC000152589173 186087162 /nfs/dbraw/zinc/08/71/62/186087162.db2.gz XWFGZLNIMCENOI-HNNXBMFYSA-N 1 3 307.482 2.618 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155700607 186104487 /nfs/dbraw/zinc/10/44/87/186104487.db2.gz WIUQGLOXSRNGRW-AHCXZYCDSA-N 1 3 317.477 2.529 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155700607 186104488 /nfs/dbraw/zinc/10/44/88/186104488.db2.gz WIUQGLOXSRNGRW-AHCXZYCDSA-N 1 3 317.477 2.529 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000590657621 398646426 /nfs/dbraw/zinc/64/64/26/398646426.db2.gz MAOGEZGJDMFPOK-XOYOTBSWSA-N 1 3 322.493 2.961 20 0 DFADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000590657621 398646427 /nfs/dbraw/zinc/64/64/27/398646427.db2.gz MAOGEZGJDMFPOK-XOYOTBSWSA-N 1 3 322.493 2.961 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCCC1 ZINC000268753929 186379462 /nfs/dbraw/zinc/37/94/62/186379462.db2.gz WOJCLHJEWSYKHF-AZUAARDMSA-N 1 3 315.505 2.973 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000268758662 186381383 /nfs/dbraw/zinc/38/13/83/186381383.db2.gz GBTWHCWLMLXMPD-SOLBZPMBSA-N 1 3 316.493 2.890 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000459735917 299176399 /nfs/dbraw/zinc/17/63/99/299176399.db2.gz PZBGKJXMUSYJDV-OAHLLOKOSA-N 1 3 316.424 2.833 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000459735917 299176404 /nfs/dbraw/zinc/17/64/04/299176404.db2.gz PZBGKJXMUSYJDV-OAHLLOKOSA-N 1 3 316.424 2.833 20 0 DFADHO C[C@H]([NH3+])CCN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414824125 295822336 /nfs/dbraw/zinc/82/23/36/295822336.db2.gz QAZGGYKUPLHWDT-QWRGUYRKSA-N 1 3 317.355 2.749 20 0 DFADHO c1ccc([C@@H]2C[C@H]([NH2+]CCCNCc3cccnc3)CCN2)cc1 ZINC000414857574 295827226 /nfs/dbraw/zinc/82/72/26/295827226.db2.gz FBARIDWTJXCFDX-UXHICEINSA-N 1 3 324.472 2.644 20 0 DFADHO COc1ccc(C[C@@H](C)C[NH2+]C[C@@]2(C)CCCNC2)cc1F ZINC000414899620 295832319 /nfs/dbraw/zinc/83/23/19/295832319.db2.gz CPRIFKMMYVGLJQ-KDOFPFPSSA-N 1 3 308.441 2.992 20 0 DFADHO COCC1(CNCc2csc(C(C)(C)C)n2)CC[NH2+]CC1 ZINC000414956760 295840719 /nfs/dbraw/zinc/84/07/19/295840719.db2.gz PAFCAWGNEKNZTD-UHFFFAOYSA-N 1 3 311.495 2.546 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2ccnn2-c2ccc(F)cc2)C1 ZINC000459772692 299188214 /nfs/dbraw/zinc/18/82/14/299188214.db2.gz IREZBOYSHSDVAB-OAHLLOKOSA-N 1 3 316.424 2.833 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2ccnn2-c2ccc(F)cc2)C1 ZINC000459772692 299188217 /nfs/dbraw/zinc/18/82/17/299188217.db2.gz IREZBOYSHSDVAB-OAHLLOKOSA-N 1 3 316.424 2.833 20 0 DFADHO Cn1c2ccc(Cl)cc2nc1CNC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414994874 295845001 /nfs/dbraw/zinc/84/50/01/295845001.db2.gz DXSCVJVTESRERD-WCQYABFASA-N 1 3 306.841 2.834 20 0 DFADHO C[C@H]1CCc2nc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)sc2C1 ZINC000415007084 295846805 /nfs/dbraw/zinc/84/68/05/295846805.db2.gz LDYNEHDLPJZXHH-CORIIIEPSA-N 1 3 305.491 2.746 20 0 DFADHO COc1ccc(OC(F)F)c(CN[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415029158 295848880 /nfs/dbraw/zinc/84/88/80/295848880.db2.gz DJRCUDLUIOSVIU-JQWIXIFHSA-N 1 3 300.349 2.514 20 0 DFADHO C[C@H](NCCc1ccccc1OC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000415078876 295855176 /nfs/dbraw/zinc/85/51/76/295855176.db2.gz HBZPNEMUTPIEPI-AAEUAGOBSA-N 1 3 302.340 2.715 20 0 DFADHO C[C@@H](NCCCc1nc(-c2ccncc2)cs1)[C@@H]1CC[NH2+]C1 ZINC000415084390 295855834 /nfs/dbraw/zinc/85/58/34/295855834.db2.gz PAXNCELXSJYALV-UKRRQHHQSA-N 1 3 316.474 2.725 20 0 DFADHO C[C@]1(CN[C@H]2CCCN(c3ccccc3Cl)C2)CC[NH2+]C1 ZINC000415083520 295855881 /nfs/dbraw/zinc/85/58/81/295855881.db2.gz NMKLTRHIPUYWEB-YOEHRIQHSA-N 1 3 307.869 2.898 20 0 DFADHO Fc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173953553 198271759 /nfs/dbraw/zinc/27/17/59/198271759.db2.gz MDAVKLBUJYXUMC-UHFFFAOYSA-N 1 3 306.425 2.903 20 0 DFADHO CN(C)Cc1cccc(C(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000073643211 398692259 /nfs/dbraw/zinc/69/22/59/398692259.db2.gz VOSSMZOMUQWBEI-UHFFFAOYSA-N 1 3 317.477 2.552 20 0 DFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000415104128 295858705 /nfs/dbraw/zinc/85/87/05/295858705.db2.gz GOGOHFNRAQDQKF-UXHICEINSA-N 1 3 314.473 2.894 20 0 DFADHO Cc1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1F ZINC000415111241 295859400 /nfs/dbraw/zinc/85/94/00/295859400.db2.gz QJFJVJPOZLGQMW-ZWKOTPCHSA-N 1 3 306.425 2.852 20 0 DFADHO CCN1CCN(c2ccc(NC[C@@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000415118842 295860431 /nfs/dbraw/zinc/86/04/31/295860431.db2.gz JZTLHHMASQHTEN-QGZVFWFLSA-N 1 3 316.493 2.548 20 0 DFADHO COc1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1C ZINC000415127257 295861799 /nfs/dbraw/zinc/86/17/99/295861799.db2.gz QQMNJLYCBQTTRX-PKOBYXMFSA-N 1 3 318.461 2.722 20 0 DFADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000236771510 202001191 /nfs/dbraw/zinc/00/11/91/202001191.db2.gz OJQYBYDLEFJGJC-YJBOKZPZSA-N 1 3 317.477 2.559 20 0 DFADHO CCC[NH+]1CCC(CNC(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000236771153 202001631 /nfs/dbraw/zinc/00/16/31/202001631.db2.gz RELXAYCVJYRICI-QAPCUYQASA-N 1 3 317.477 2.561 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C[C@@H]1C ZINC000591282626 398745545 /nfs/dbraw/zinc/74/55/45/398745545.db2.gz HUUABTLMQYOZSP-YHUYYLMFSA-N 1 3 308.466 2.619 20 0 DFADHO CC[NH+](CC)CC1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000047973884 398767025 /nfs/dbraw/zinc/76/70/25/398767025.db2.gz DANCHUNHHGYEQV-CALCHBBNSA-N 1 3 323.525 2.830 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000236886881 202052361 /nfs/dbraw/zinc/05/23/61/202052361.db2.gz HCFHWTFCBDXETO-IEBWSBKVSA-N 1 3 317.477 2.575 20 0 DFADHO CCC[C@@H]1[C@H](C)CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000464729278 299246488 /nfs/dbraw/zinc/24/64/88/299246488.db2.gz DIJMYPDNDKXXPU-SJLPKXTDSA-N 1 3 323.525 2.876 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236909568 202066094 /nfs/dbraw/zinc/06/60/94/202066094.db2.gz WIUQGLOXSRNGRW-ONIAQPFYSA-N 1 3 317.477 2.529 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236909568 202066099 /nfs/dbraw/zinc/06/60/99/202066099.db2.gz WIUQGLOXSRNGRW-ONIAQPFYSA-N 1 3 317.477 2.529 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000236939692 202083486 /nfs/dbraw/zinc/08/34/86/202083486.db2.gz DURZYTMJJOFMKQ-UHFFFAOYSA-N 1 3 314.477 2.675 20 0 DFADHO CCC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236948002 202088151 /nfs/dbraw/zinc/08/81/51/202088151.db2.gz WCZYGMDGVACBEH-PBHICJAKSA-N 1 3 303.450 2.984 20 0 DFADHO CCC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236948002 202088154 /nfs/dbraw/zinc/08/81/54/202088154.db2.gz WCZYGMDGVACBEH-PBHICJAKSA-N 1 3 303.450 2.984 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000236969543 202101720 /nfs/dbraw/zinc/10/17/20/202101720.db2.gz AQKMQOLACSENAA-GOSISDBHSA-N 1 3 317.477 2.662 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000236969603 202101805 /nfs/dbraw/zinc/10/18/05/202101805.db2.gz WEXSXYWPBZCWFZ-GOSISDBHSA-N 1 3 317.477 2.806 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000237037543 202131464 /nfs/dbraw/zinc/13/14/64/202131464.db2.gz BDWUREOBVUQZRN-UAGQMJEPSA-N 1 3 305.466 2.559 20 0 DFADHO CCC[NH+]1CCC(NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000121646442 398788411 /nfs/dbraw/zinc/78/84/11/398788411.db2.gz SNXMKVFBXVRQLP-LJQANCHMSA-N 1 3 303.494 2.623 20 0 DFADHO CCCN1CCC([NH2+]C[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000121646442 398788414 /nfs/dbraw/zinc/78/84/14/398788414.db2.gz SNXMKVFBXVRQLP-LJQANCHMSA-N 1 3 303.494 2.623 20 0 DFADHO CN(C)Cc1cccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000237074412 202144779 /nfs/dbraw/zinc/14/47/79/202144779.db2.gz SDAFDGNUSQZKHP-ZXFUBFMLSA-N 1 3 301.434 2.607 20 0 DFADHO C[N@H+](Cc1ccccc1CNC(=O)C1(N)CC1)C1CCCCC1 ZINC000237151053 202168838 /nfs/dbraw/zinc/16/88/38/202168838.db2.gz UZYINQWOCSLHSR-UHFFFAOYSA-N 1 3 315.461 2.559 20 0 DFADHO C[N@@H+](Cc1ccccc1CNC(=O)C1(N)CC1)C1CCCCC1 ZINC000237151053 202168840 /nfs/dbraw/zinc/16/88/40/202168840.db2.gz UZYINQWOCSLHSR-UHFFFAOYSA-N 1 3 315.461 2.559 20 0 DFADHO C[NH+](C)[C@H](CNC(=O)C[C@@H](N)c1ccccc1)C1CCCCC1 ZINC000237192382 202183145 /nfs/dbraw/zinc/18/31/45/202183145.db2.gz QMPUFTRTQIHCBF-QZTJIDSGSA-N 1 3 317.477 2.703 20 0 DFADHO CCN1CCN(CCC[NH2+]CCc2ccc(C(C)C)cc2)CC1 ZINC000139073691 283258859 /nfs/dbraw/zinc/25/88/59/283258859.db2.gz RPVHKHLSBWHHPT-UHFFFAOYSA-N 1 3 317.521 2.970 20 0 DFADHO C[C@H](CCN[C@@H](C)Cn1cccn1)[N@H+](C)Cc1ccccc1 ZINC000138728731 283258260 /nfs/dbraw/zinc/25/82/60/283258260.db2.gz KCECOHMNUZFVJT-DLBZAZTESA-N 1 3 300.450 2.772 20 0 DFADHO C[C@H](CCN[C@@H](C)Cn1cccn1)[N@@H+](C)Cc1ccccc1 ZINC000138728731 283258262 /nfs/dbraw/zinc/25/82/62/283258262.db2.gz KCECOHMNUZFVJT-DLBZAZTESA-N 1 3 300.450 2.772 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000594494468 398808971 /nfs/dbraw/zinc/80/89/71/398808971.db2.gz GOAUKYYGCARXBA-KDOFPFPSSA-N 1 3 316.445 2.782 20 0 DFADHO COC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000594494468 398808973 /nfs/dbraw/zinc/80/89/73/398808973.db2.gz GOAUKYYGCARXBA-KDOFPFPSSA-N 1 3 316.445 2.782 20 0 DFADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCC[C@H](C)C2)c(C)o1 ZINC000594599579 398828198 /nfs/dbraw/zinc/82/81/98/398828198.db2.gz HMYCDWAVPUHZLJ-AWEZNQCLSA-N 1 3 322.449 2.976 20 0 DFADHO COC(=O)c1cc(CNCCCC[N@H+]2CCC[C@H](C)C2)c(C)o1 ZINC000594599579 398828200 /nfs/dbraw/zinc/82/82/00/398828200.db2.gz HMYCDWAVPUHZLJ-AWEZNQCLSA-N 1 3 322.449 2.976 20 0 DFADHO CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000180105226 199117342 /nfs/dbraw/zinc/11/73/42/199117342.db2.gz NVBLADOBARAGBM-IHWFROFDSA-N 1 3 313.489 2.866 20 0 DFADHO CC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180164533 199125002 /nfs/dbraw/zinc/12/50/02/199125002.db2.gz RTVHIXHQPCSCDJ-OKYOBFRVSA-N 1 3 302.462 2.648 20 0 DFADHO CC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000130321766 398843888 /nfs/dbraw/zinc/84/38/88/398843888.db2.gz RFMXQEBOQLZMEN-IIDMSEBBSA-N 1 3 317.477 2.518 20 0 DFADHO COC(=O)c1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000594736040 398852369 /nfs/dbraw/zinc/85/23/69/398852369.db2.gz OCOGJDPXZBEGCZ-SFHVURJKSA-N 1 3 316.445 2.685 20 0 DFADHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000076519389 398859340 /nfs/dbraw/zinc/85/93/40/398859340.db2.gz XZJBMVXSYDLJKT-IBGZPJMESA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3c[nH]nc3c2)C[C@@H](C)O1 ZINC000237404565 202256644 /nfs/dbraw/zinc/25/66/44/202256644.db2.gz VPMOIJXIFKRMFX-HUUCEWRRSA-N 1 3 316.449 2.542 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(OCC2CC2)cc1 ZINC000276633006 213013313 /nfs/dbraw/zinc/01/33/13/213013313.db2.gz OPHQGPBJERHTMU-LJQANCHMSA-N 1 3 320.477 2.922 20 0 DFADHO C[C@@H](CN(C)CC[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000180946097 199231979 /nfs/dbraw/zinc/23/19/79/199231979.db2.gz PGPFZZKCZWPNQH-KRWDZBQOSA-N 1 3 303.494 2.748 20 0 DFADHO C[C@@H](CN(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000180946097 199231981 /nfs/dbraw/zinc/23/19/81/199231981.db2.gz PGPFZZKCZWPNQH-KRWDZBQOSA-N 1 3 303.494 2.748 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000167794722 283382711 /nfs/dbraw/zinc/38/27/11/283382711.db2.gz NMGHJRZHYMYACZ-VKJFTORMSA-N 1 3 317.477 2.702 20 0 DFADHO CN1CC[C@@H]([NH2+]Cc2ccc(C[S@@](C)=O)cc2)CC1(C)C ZINC000598974059 398900878 /nfs/dbraw/zinc/90/08/78/398900878.db2.gz LGIYASWIYGTXPF-IIBYNOLFSA-N 1 3 308.491 2.528 20 0 DFADHO COC(=O)c1coc([C@@H](C)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000595102456 398905550 /nfs/dbraw/zinc/90/55/50/398905550.db2.gz IEEIOZREMFIRMT-CYBMUJFWSA-N 1 3 320.433 2.839 20 0 DFADHO CN1CCC(O)(C[NH2+]Cc2cccc(-c3ccccc3)c2)CC1 ZINC000077450463 398904495 /nfs/dbraw/zinc/90/44/95/398904495.db2.gz OCBVSCDOLQIFNU-UHFFFAOYSA-N 1 3 310.441 2.900 20 0 DFADHO CSC[C@@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000187932131 200178656 /nfs/dbraw/zinc/17/86/56/200178656.db2.gz OQNMWUQNELOTQO-JQHSSLGASA-N 1 3 322.518 2.695 20 0 DFADHO CSC[C@@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000187932131 200178657 /nfs/dbraw/zinc/17/86/57/200178657.db2.gz OQNMWUQNELOTQO-JQHSSLGASA-N 1 3 322.518 2.695 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3c[nH]nc3c2)C[C@H](C)O1 ZINC000237610016 202302519 /nfs/dbraw/zinc/30/25/19/202302519.db2.gz VPMOIJXIFKRMFX-GASCZTMLSA-N 1 3 316.449 2.542 20 0 DFADHO C[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)[C@H](N)c1ccccc1 ZINC000237707557 202333505 /nfs/dbraw/zinc/33/35/05/202333505.db2.gz YWOSDECRYGDDSU-QAPCUYQASA-N 1 3 317.477 2.751 20 0 DFADHO N[C@@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000237874067 202376193 /nfs/dbraw/zinc/37/61/93/202376193.db2.gz MNERGXUIQCEPTI-MSOLQXFVSA-N 1 3 315.461 2.553 20 0 DFADHO Cc1ccc([C@H](CNC(=O)C2([NH3+])CCCC2)N2CCCC2)cc1 ZINC000237915625 202390265 /nfs/dbraw/zinc/39/02/65/202390265.db2.gz IPEHYGSBBKLIRA-KRWDZBQOSA-N 1 3 315.461 2.520 20 0 DFADHO C[C@@H](NC[C@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417317957 296009591 /nfs/dbraw/zinc/00/95/91/296009591.db2.gz XTASAHFVZWUFPP-LTIDMASMSA-N 1 3 322.518 2.923 20 0 DFADHO C[C@@H]([NH2+]CC1(N(C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000417356343 296013408 /nfs/dbraw/zinc/01/34/08/296013408.db2.gz PFVPUVGQLAZYEE-SJLPKXTDSA-N 1 3 301.478 2.581 20 0 DFADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCn1cccn1 ZINC000471835190 299309080 /nfs/dbraw/zinc/30/90/80/299309080.db2.gz UTUCBEBWTZCZPY-MOPGFXCFSA-N 1 3 312.461 2.555 20 0 DFADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCn1cccn1 ZINC000471835190 299309084 /nfs/dbraw/zinc/30/90/84/299309084.db2.gz UTUCBEBWTZCZPY-MOPGFXCFSA-N 1 3 312.461 2.555 20 0 DFADHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1CCn1cccn1 ZINC000471835190 299309086 /nfs/dbraw/zinc/30/90/86/299309086.db2.gz UTUCBEBWTZCZPY-MOPGFXCFSA-N 1 3 312.461 2.555 20 0 DFADHO C[C@@]1(O)C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000417392409 296016343 /nfs/dbraw/zinc/01/63/43/296016343.db2.gz BJJNMTBDNFIRNK-GOHLOMJBSA-N 1 3 300.446 2.685 20 0 DFADHO C[C@@]1(O)C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000417392409 296016345 /nfs/dbraw/zinc/01/63/45/296016345.db2.gz BJJNMTBDNFIRNK-GOHLOMJBSA-N 1 3 300.446 2.685 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2C[C@@](C)(O)C2)CC1 ZINC000417400476 296017036 /nfs/dbraw/zinc/01/70/36/296017036.db2.gz KBNAVYLBHOEFBT-LZQZEXGQSA-N 1 3 302.462 2.585 20 0 DFADHO CCN(CC)CCC[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000281251069 216186376 /nfs/dbraw/zinc/18/63/76/216186376.db2.gz UZHRRCOCGZKDPR-QGZVFWFLSA-N 1 3 317.477 2.703 20 0 DFADHO CCN(CC)CCC[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000281251069 216186379 /nfs/dbraw/zinc/18/63/79/216186379.db2.gz UZHRRCOCGZKDPR-QGZVFWFLSA-N 1 3 317.477 2.703 20 0 DFADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCOC1 ZINC000471872718 299312053 /nfs/dbraw/zinc/31/20/53/299312053.db2.gz RALMXKHWTURQFE-FHWLQOOXSA-N 1 3 302.462 2.695 20 0 DFADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H]1CCOC1 ZINC000471872718 299312055 /nfs/dbraw/zinc/31/20/55/299312055.db2.gz RALMXKHWTURQFE-FHWLQOOXSA-N 1 3 302.462 2.695 20 0 DFADHO Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(-c2ccccc2)n1 ZINC000193277958 201018482 /nfs/dbraw/zinc/01/84/82/201018482.db2.gz SJDKSECPDZVIBE-AYHJJNSGSA-N 1 3 310.445 2.802 20 0 DFADHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1cccc(F)c1 ZINC000281453623 216310402 /nfs/dbraw/zinc/31/04/02/216310402.db2.gz UUBXWQIBYULSLG-UHFFFAOYSA-N 1 3 307.413 2.572 20 0 DFADHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1cccc(F)c1 ZINC000281453623 216310405 /nfs/dbraw/zinc/31/04/05/216310405.db2.gz UUBXWQIBYULSLG-UHFFFAOYSA-N 1 3 307.413 2.572 20 0 DFADHO CN1C[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC000193611174 201085977 /nfs/dbraw/zinc/08/59/77/201085977.db2.gz YGUSEOMZEWVEKK-BETUJISGSA-N 1 3 300.324 2.579 20 0 DFADHO CN1C[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC000193611174 201085981 /nfs/dbraw/zinc/08/59/81/201085981.db2.gz YGUSEOMZEWVEKK-BETUJISGSA-N 1 3 300.324 2.579 20 0 DFADHO COc1cc(CNCC2=CC[N@H+](C)CC2)ccc1OC(F)F ZINC000271871339 209284269 /nfs/dbraw/zinc/28/42/69/209284269.db2.gz XTXVSEPZTJPUFW-UHFFFAOYSA-N 1 3 312.360 2.648 20 0 DFADHO COc1cc(CNCC2=CC[N@@H+](C)CC2)ccc1OC(F)F ZINC000271871339 209284272 /nfs/dbraw/zinc/28/42/72/209284272.db2.gz XTXVSEPZTJPUFW-UHFFFAOYSA-N 1 3 312.360 2.648 20 0 DFADHO Cc1ccc(C[NH2+]C2CCN(CCN(C)C)CC2)cc1Cl ZINC000195436974 201389143 /nfs/dbraw/zinc/38/91/43/201389143.db2.gz XMGYYJOFUMDYPH-UHFFFAOYSA-N 1 3 309.885 2.764 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2=CCN(C)CC2)c(C)c1 ZINC000271842308 209259240 /nfs/dbraw/zinc/25/92/40/209259240.db2.gz GXKCYGIVTOLKJN-INIZCTEOSA-N 1 3 315.461 2.872 20 0 DFADHO C[C@H](CCNC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000447822092 297318747 /nfs/dbraw/zinc/31/87/47/297318747.db2.gz PAOAXNRWQDXVQR-IEBWSBKVSA-N 1 3 304.478 2.863 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC(C)(C)CCC[NH3+])cc1 ZINC000418349574 296087277 /nfs/dbraw/zinc/08/72/77/296087277.db2.gz KMTRLKFMCYXLAR-MRXNPFEDSA-N 1 3 320.481 2.627 20 0 DFADHO COc1ccc(F)c(CNC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000621733535 399055977 /nfs/dbraw/zinc/05/59/77/399055977.db2.gz PFSSUPKATUQFGH-UHFFFAOYSA-N 1 3 315.392 2.988 20 0 DFADHO COC(=O)[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)[C@H]2CCCC[C@@H]12 ZINC000595734609 399062109 /nfs/dbraw/zinc/06/21/09/399062109.db2.gz UJJJNDBLVFFCPO-NXOAAHMSSA-N 1 3 308.466 2.524 20 0 DFADHO COC(=O)[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)[C@H]2CCCC[C@@H]12 ZINC000595734609 399062110 /nfs/dbraw/zinc/06/21/10/399062110.db2.gz UJJJNDBLVFFCPO-NXOAAHMSSA-N 1 3 308.466 2.524 20 0 DFADHO Cc1nc(C)c(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000172339284 399075632 /nfs/dbraw/zinc/07/56/32/399075632.db2.gz INPYVHYGKOAREY-BETUJISGSA-N 1 3 311.495 2.739 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc([S@@](C)=O)cc1 ZINC000246993764 299377744 /nfs/dbraw/zinc/37/77/44/299377744.db2.gz JMWZRHKPNLLAQX-WRUKREGBSA-N 1 3 308.491 2.947 20 0 DFADHO CN(C)CCN1CCC([NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271752986 209182119 /nfs/dbraw/zinc/18/21/19/209182119.db2.gz HZLQAXSDNPMHQR-IBGZPJMESA-N 1 3 319.468 2.892 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000266807690 296119343 /nfs/dbraw/zinc/11/93/43/296119343.db2.gz UNDNGXVASMWIMP-GFCCVEGCSA-N 1 3 316.367 2.813 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000333343535 284057076 /nfs/dbraw/zinc/05/70/76/284057076.db2.gz YQBKPTMPUQULAC-MLBPIDQTSA-N 1 3 313.445 2.679 20 0 DFADHO CC[C@H](CN1CCC[C@H]([N@H+](C)C[C@H](CC)OC)CC1)OC ZINC000419247566 296129933 /nfs/dbraw/zinc/12/99/33/296129933.db2.gz XFZGZFCMKDCAEY-YESZJQIVSA-N 1 3 300.487 2.623 20 0 DFADHO CC[C@H](CN1CCC[C@H]([N@@H+](C)C[C@H](CC)OC)CC1)OC ZINC000419247566 296129935 /nfs/dbraw/zinc/12/99/35/296129935.db2.gz XFZGZFCMKDCAEY-YESZJQIVSA-N 1 3 300.487 2.623 20 0 DFADHO CC[C@H](C[N@H+]1CCC[C@H](N(C)C[C@H](CC)OC)CC1)OC ZINC000419247566 296129936 /nfs/dbraw/zinc/12/99/36/296129936.db2.gz XFZGZFCMKDCAEY-YESZJQIVSA-N 1 3 300.487 2.623 20 0 DFADHO CC[C@H](C[N@@H+]1CCC[C@H](N(C)C[C@H](CC)OC)CC1)OC ZINC000419247566 296129937 /nfs/dbraw/zinc/12/99/37/296129937.db2.gz XFZGZFCMKDCAEY-YESZJQIVSA-N 1 3 300.487 2.623 20 0 DFADHO Cc1ccc(CNCCC[NH+]2CCCC2)c(-c2ccnn2C)c1 ZINC000338431054 284112128 /nfs/dbraw/zinc/11/21/28/284112128.db2.gz NXYNKXVMSRFYAU-UHFFFAOYSA-N 1 3 312.461 2.971 20 0 DFADHO Cc1ccc(C[NH2+]CCCN2CCCC2)c(-c2ccnn2C)c1 ZINC000338431054 284112132 /nfs/dbraw/zinc/11/21/32/284112132.db2.gz NXYNKXVMSRFYAU-UHFFFAOYSA-N 1 3 312.461 2.971 20 0 DFADHO CCOc1ccc(C[N@H+](C)CC2CCN(C)CC2)cc1OC ZINC000093089311 193202482 /nfs/dbraw/zinc/20/24/82/193202482.db2.gz AXNWJTZPJNVARQ-UHFFFAOYSA-N 1 3 306.450 2.868 20 0 DFADHO CCOc1ccc(C[N@@H+](C)CC2CCN(C)CC2)cc1OC ZINC000093089311 193202483 /nfs/dbraw/zinc/20/24/83/193202483.db2.gz AXNWJTZPJNVARQ-UHFFFAOYSA-N 1 3 306.450 2.868 20 0 DFADHO CCC[C@](C)(N)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000261922048 203153170 /nfs/dbraw/zinc/15/31/70/203153170.db2.gz IAJJSEURAZYKPR-SFHVURJKSA-N 1 3 305.466 2.662 20 0 DFADHO CC[C@H](C)NC(=O)CCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340196437 284158518 /nfs/dbraw/zinc/15/85/18/284158518.db2.gz HOJANYLGAIHULG-RYQLBKOJSA-N 1 3 317.477 2.716 20 0 DFADHO CC[C@H](C)NC(=O)CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340196437 284158519 /nfs/dbraw/zinc/15/85/19/284158519.db2.gz HOJANYLGAIHULG-RYQLBKOJSA-N 1 3 317.477 2.716 20 0 DFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CNCC3CC3)cc2)C1 ZINC000262653750 203366705 /nfs/dbraw/zinc/36/67/05/203366705.db2.gz BQMQUJMZZVXFOH-HNNXBMFYSA-N 1 3 315.461 2.857 20 0 DFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNCC3CC3)cc2)C1 ZINC000262653750 203366710 /nfs/dbraw/zinc/36/67/10/203366710.db2.gz BQMQUJMZZVXFOH-HNNXBMFYSA-N 1 3 315.461 2.857 20 0 DFADHO [NH3+]C1CCC(NCc2cc(F)ccc2Br)CC1 ZINC000094087960 193344516 /nfs/dbraw/zinc/34/45/16/193344516.db2.gz GDUVBBQYAPXQQW-UHFFFAOYSA-N 1 3 301.203 2.948 20 0 DFADHO C[C@@H](C(=O)NCCC[NH2+]C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000419909651 296151210 /nfs/dbraw/zinc/15/12/10/296151210.db2.gz MHMBIRKPTHAOIQ-XHSDSOJGSA-N 1 3 309.498 2.676 20 0 DFADHO CCOC(=O)c1oc2ccccc2c1CN1CCC(C[NH3+])CC1 ZINC000420265765 296167305 /nfs/dbraw/zinc/16/73/05/296167305.db2.gz BXQLOSAMKHYJJD-UHFFFAOYSA-N 1 3 316.401 2.780 20 0 DFADHO CCOc1cc2nccc(N[C@H](C)[C@@H](C)[NH3+])c2cc1OCC ZINC000420274142 296168232 /nfs/dbraw/zinc/16/82/32/296168232.db2.gz YERSRILXEJKMTM-VXGBXAGGSA-N 1 3 303.406 2.602 20 0 DFADHO C[C@@H](c1ccc(Cl)cc1)N(CCN1CC[NH2+]CC1)C1CC1 ZINC000420295339 296170455 /nfs/dbraw/zinc/17/04/55/296170455.db2.gz AAEOFYGCVIXAAO-AWEZNQCLSA-N 1 3 307.869 2.771 20 0 DFADHO C[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420301518 296171696 /nfs/dbraw/zinc/17/16/96/296171696.db2.gz LKBMOVBANDMWHC-ACRUOGEOSA-N 1 3 324.468 2.581 20 0 DFADHO C[C@]1(c2ccccc2)CC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420301518 296171697 /nfs/dbraw/zinc/17/16/97/296171697.db2.gz LKBMOVBANDMWHC-ACRUOGEOSA-N 1 3 324.468 2.581 20 0 DFADHO C[C@]1(c2ccccc2)CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420301518 296171698 /nfs/dbraw/zinc/17/16/98/296171698.db2.gz LKBMOVBANDMWHC-ACRUOGEOSA-N 1 3 324.468 2.581 20 0 DFADHO CC(C)[N@H+](C[C@@H](C)N)C[C@H](O)COc1cccc2ccccc21 ZINC000420302986 296172103 /nfs/dbraw/zinc/17/21/03/296172103.db2.gz KEHONDIVGLGETH-WBVHZDCISA-N 1 3 316.445 2.637 20 0 DFADHO CC(C)[N@@H+](C[C@@H](C)N)C[C@H](O)COc1cccc2ccccc21 ZINC000420302986 296172105 /nfs/dbraw/zinc/17/21/05/296172105.db2.gz KEHONDIVGLGETH-WBVHZDCISA-N 1 3 316.445 2.637 20 0 DFADHO c1ccc2c(c1)cccc2CN1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420300785 296171815 /nfs/dbraw/zinc/17/18/15/296171815.db2.gz KNAKNRLXOHPXTG-GOSISDBHSA-N 1 3 323.484 2.957 20 0 DFADHO CCOc1ccccc1N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420309395 296172903 /nfs/dbraw/zinc/17/29/03/296172903.db2.gz TUAMELSCTZFALT-QGZVFWFLSA-N 1 3 317.477 2.597 20 0 DFADHO CN(CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000420306658 296172507 /nfs/dbraw/zinc/17/25/07/296172507.db2.gz QUJCVHRCIQIOBC-SJLPKXTDSA-N 1 3 315.461 2.504 20 0 DFADHO c1c2ccccc2[nH]c1[C@@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000420310969 296173482 /nfs/dbraw/zinc/17/34/82/296173482.db2.gz VORTXGUVIDMAJL-IBGZPJMESA-N 1 3 312.461 2.600 20 0 DFADHO Clc1cccc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420307959 296172978 /nfs/dbraw/zinc/17/29/78/296172978.db2.gz RTGDPQJFGWSKEV-MRXNPFEDSA-N 1 3 321.896 2.847 20 0 DFADHO COc1ccc([C@@H](C[NH3+])CN(C)C2Cc3ccccc3C2)cc1 ZINC000420317784 296174088 /nfs/dbraw/zinc/17/40/88/296174088.db2.gz NYOZERUZSJLECY-SFHVURJKSA-N 1 3 310.441 2.837 20 0 DFADHO COCc1cccc(OCC2(C[N@H+](C)C3CC(N)C3)CCC2)c1 ZINC000420323149 296175365 /nfs/dbraw/zinc/17/53/65/296175365.db2.gz AVNJFNNOONQTHX-UHFFFAOYSA-N 1 3 318.461 2.804 20 0 DFADHO COCc1cccc(OCC2(C[N@@H+](C)C3CC(N)C3)CCC2)c1 ZINC000420323149 296175366 /nfs/dbraw/zinc/17/53/66/296175366.db2.gz AVNJFNNOONQTHX-UHFFFAOYSA-N 1 3 318.461 2.804 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000420324846 296175384 /nfs/dbraw/zinc/17/53/84/296175384.db2.gz HQXFKSKZNXPUAQ-SJORKVTESA-N 1 3 324.852 2.547 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCOC2CCCCCC2)CC1 ZINC000420323827 296175426 /nfs/dbraw/zinc/17/54/26/296175426.db2.gz BNNHGCWSNIRZCF-MSOLQXFVSA-N 1 3 310.482 2.554 20 0 DFADHO CCc1ccccc1NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420342392 296177762 /nfs/dbraw/zinc/17/77/62/296177762.db2.gz QTAUGAZKGHMAJZ-BHYGNILZSA-N 1 3 315.461 2.507 20 0 DFADHO CCc1ccc(NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420343908 296177849 /nfs/dbraw/zinc/17/78/49/296177849.db2.gz RRIGSBAQUKIVKB-IRXDYDNUSA-N 1 3 315.461 2.509 20 0 DFADHO Cc1cccc(NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420346949 296178491 /nfs/dbraw/zinc/17/84/91/296178491.db2.gz ZMVASFRSLAUKMK-SJORKVTESA-N 1 3 315.461 2.563 20 0 DFADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420346844 296178539 /nfs/dbraw/zinc/17/85/39/296178539.db2.gz ZGSXLQRZVGXPSR-JQHSSLGASA-N 1 3 321.509 2.630 20 0 DFADHO CC1(C)CNCC[C@@H]1[NH2+]CCCc1nc(-c2ccccc2)no1 ZINC000420354431 296178879 /nfs/dbraw/zinc/17/88/79/296178879.db2.gz CZKZTJIUQTVQBK-HNNXBMFYSA-N 1 3 314.433 2.647 20 0 DFADHO CC1(C)C[NH2+]CC[C@@H]1NCCCc1nc(-c2ccccc2)no1 ZINC000420354431 296178880 /nfs/dbraw/zinc/17/88/80/296178880.db2.gz CZKZTJIUQTVQBK-HNNXBMFYSA-N 1 3 314.433 2.647 20 0 DFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOC3CCCCCC3)CC2)C1 ZINC000420384764 296183881 /nfs/dbraw/zinc/18/38/81/296183881.db2.gz GTORBBFFKCETRK-MJGOQNOKSA-N 1 3 324.509 2.944 20 0 DFADHO CSc1ccccc1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420394236 296185366 /nfs/dbraw/zinc/18/53/66/296185366.db2.gz ZJRCEFWGRGUQOL-CVEARBPZSA-N 1 3 318.486 2.609 20 0 DFADHO CCc1oc2ccccc2c1C[NH2+]CC1(O)CCN(C)CC1 ZINC000265879423 204941560 /nfs/dbraw/zinc/94/15/60/204941560.db2.gz NZEBVTMGASIJPK-UHFFFAOYSA-N 1 3 302.418 2.542 20 0 DFADHO C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000282765144 217235327 /nfs/dbraw/zinc/23/53/27/217235327.db2.gz ZWEAGBKJFCHGRJ-BTHPGYMESA-N 1 3 324.472 2.772 20 0 DFADHO CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H](C)C(C)C ZINC000157860532 284398874 /nfs/dbraw/zinc/39/88/74/284398874.db2.gz RJYKGRBRXNDAJI-WMZOPIPTSA-N 1 3 319.493 2.772 20 0 DFADHO CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H](C)C(C)C ZINC000157860532 284398877 /nfs/dbraw/zinc/39/88/77/284398877.db2.gz RJYKGRBRXNDAJI-WMZOPIPTSA-N 1 3 319.493 2.772 20 0 DFADHO Cc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2n1 ZINC000267432418 206064769 /nfs/dbraw/zinc/06/47/69/206064769.db2.gz WXWCGSHKODTZMB-MRXNPFEDSA-N 1 3 311.429 2.702 20 0 DFADHO Cc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2n1 ZINC000267432416 206065071 /nfs/dbraw/zinc/06/50/71/206065071.db2.gz WXWCGSHKODTZMB-INIZCTEOSA-N 1 3 311.429 2.702 20 0 DFADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3ccccn3)CC2)CC1 ZINC000420977388 296220052 /nfs/dbraw/zinc/22/00/52/296220052.db2.gz HYBHSGYAGJVZIV-KRWDZBQOSA-N 1 3 316.493 2.635 20 0 DFADHO CCN1CCC([N@H+]2CCCN([C@@H](C)c3ccccn3)CC2)CC1 ZINC000420977388 296220053 /nfs/dbraw/zinc/22/00/53/296220053.db2.gz HYBHSGYAGJVZIV-KRWDZBQOSA-N 1 3 316.493 2.635 20 0 DFADHO CC[NH+]1CCC(N2CCCN([C@@H](C)c3ccccn3)CC2)CC1 ZINC000420977388 296220054 /nfs/dbraw/zinc/22/00/54/296220054.db2.gz HYBHSGYAGJVZIV-KRWDZBQOSA-N 1 3 316.493 2.635 20 0 DFADHO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000421028422 296228227 /nfs/dbraw/zinc/22/82/27/296228227.db2.gz UOLHOBGZEVGAHG-OAGGEKHMSA-N 1 3 310.482 2.770 20 0 DFADHO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000421028422 296228228 /nfs/dbraw/zinc/22/82/28/296228228.db2.gz UOLHOBGZEVGAHG-OAGGEKHMSA-N 1 3 310.482 2.770 20 0 DFADHO COC(=O)CC[N@H+](CCCN1CCCCC1)Cc1ccccc1 ZINC000614907826 399280415 /nfs/dbraw/zinc/28/04/15/399280415.db2.gz SRNTYAUZEHRVDD-UHFFFAOYSA-N 1 3 318.461 2.928 20 0 DFADHO COC(=O)CC[N@@H+](CCCN1CCCCC1)Cc1ccccc1 ZINC000614907826 399280416 /nfs/dbraw/zinc/28/04/16/399280416.db2.gz SRNTYAUZEHRVDD-UHFFFAOYSA-N 1 3 318.461 2.928 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@H]1CCOC1 ZINC000344587500 284653342 /nfs/dbraw/zinc/65/33/42/284653342.db2.gz IGPBAUHBQIUABM-FUHWJXTLSA-N 1 3 306.450 2.532 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000623064105 399321704 /nfs/dbraw/zinc/32/17/04/399321704.db2.gz URQZGIBGCUBDPN-SHTZXODSSA-N 1 3 318.465 2.635 20 0 DFADHO CCC[C@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)N(C)C ZINC000615444514 399337477 /nfs/dbraw/zinc/33/74/77/399337477.db2.gz VHFGCDPMRYRARH-QGZVFWFLSA-N 1 3 323.525 2.830 20 0 DFADHO COC1(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CCCCC1 ZINC000359741124 284724313 /nfs/dbraw/zinc/72/43/13/284724313.db2.gz GFFWHPKKFVPGOA-IAGOWNOFSA-N 1 3 312.498 2.815 20 0 DFADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000193128148 296285783 /nfs/dbraw/zinc/28/57/83/296285783.db2.gz KMGIPUJUUVDUKY-CRAIPNDOSA-N 1 3 307.526 2.959 20 0 DFADHO CC[NH+]1CCC(NC(=O)CN(CC2CCCCC2)C2CC2)CC1 ZINC000052244504 425883917 /nfs/dbraw/zinc/88/39/17/425883917.db2.gz JXIIFOMNVSYQPQ-UHFFFAOYSA-N 1 3 321.509 2.632 20 0 DFADHO CCN(CC)c1ncc(CNCCC2CC[NH+](C)CC2)s1 ZINC000105454594 194103956 /nfs/dbraw/zinc/10/39/56/194103956.db2.gz AJDJTULKWHSPMR-UHFFFAOYSA-N 1 3 310.511 2.811 20 0 DFADHO COc1cc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC000623341687 399366554 /nfs/dbraw/zinc/36/65/54/399366554.db2.gz NPZMJUWJJZOYPJ-CQSZACIVSA-N 1 3 322.449 2.675 20 0 DFADHO CN(C)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623335823 399364597 /nfs/dbraw/zinc/36/45/97/399364597.db2.gz GLTLEEACZNAIRF-ROUUACIJSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623335823 399364598 /nfs/dbraw/zinc/36/45/98/399364598.db2.gz GLTLEEACZNAIRF-ROUUACIJSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)[C@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)Cc1ccccc1 ZINC000623335823 399364600 /nfs/dbraw/zinc/36/46/00/399364600.db2.gz GLTLEEACZNAIRF-ROUUACIJSA-N 1 3 303.494 2.622 20 0 DFADHO C[NH+](C)CCOc1ccc(CNCc2cccc3n[nH]cc32)cc1 ZINC000623361421 399371944 /nfs/dbraw/zinc/37/19/44/399371944.db2.gz BEBBRMDXXMPRBN-UHFFFAOYSA-N 1 3 324.428 2.793 20 0 DFADHO COc1cccc(N2CC[C@@H](N[C@@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000623399225 399380315 /nfs/dbraw/zinc/38/03/15/399380315.db2.gz BRGNQXDYPKMQLG-HZPDHXFCSA-N 1 3 317.477 2.736 20 0 DFADHO COc1cccc(N2CC[C@@H](N[C@@H]3CC[N@@H+](C)C(C)(C)C3)C2)c1 ZINC000623399225 399380319 /nfs/dbraw/zinc/38/03/19/399380319.db2.gz BRGNQXDYPKMQLG-HZPDHXFCSA-N 1 3 317.477 2.736 20 0 DFADHO COc1cccc(N2CC[C@H](N[C@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000623399224 399380463 /nfs/dbraw/zinc/38/04/63/399380463.db2.gz BRGNQXDYPKMQLG-HOTGVXAUSA-N 1 3 317.477 2.736 20 0 DFADHO COc1cccc(N2CC[C@H](N[C@H]3CC[N@@H+](C)C(C)(C)C3)C2)c1 ZINC000623399224 399380465 /nfs/dbraw/zinc/38/04/65/399380465.db2.gz BRGNQXDYPKMQLG-HOTGVXAUSA-N 1 3 317.477 2.736 20 0 DFADHO CC(C)[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC000109627281 194278339 /nfs/dbraw/zinc/27/83/39/194278339.db2.gz APAZRCAEGXDICS-DOTOQJQBSA-N 1 3 319.493 2.818 20 0 DFADHO COCCOc1ccc(CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000422561263 296312667 /nfs/dbraw/zinc/31/26/67/296312667.db2.gz KFVHNBNJYOOCHX-VYDXJSESSA-N 1 3 306.450 2.517 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000268851368 207018728 /nfs/dbraw/zinc/01/87/28/207018728.db2.gz CXCBJBUWGJRZAH-INIZCTEOSA-N 1 3 317.477 2.677 20 0 DFADHO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000268860837 207029102 /nfs/dbraw/zinc/02/91/02/207029102.db2.gz GCAWFHNFLGOYGH-MAUKXSAKSA-N 1 3 308.466 2.829 20 0 DFADHO CN1CC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)CC1(C)C ZINC000623482534 399398990 /nfs/dbraw/zinc/39/89/90/399398990.db2.gz YMVFFLPEAQUXQT-QGZVFWFLSA-N 1 3 316.493 2.760 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@H+](CCCOCCc2ccccc2)C[C@H]1CN ZINC000422625264 296316596 /nfs/dbraw/zinc/31/65/96/296316596.db2.gz BBZZKSNSMNVIBY-ZHALLVOQSA-N 1 3 304.478 2.941 20 0 DFADHO C[C@@H]1C[C@@H](C)[N@@H+](CCCOCCc2ccccc2)C[C@H]1CN ZINC000422625264 296316598 /nfs/dbraw/zinc/31/65/98/296316598.db2.gz BBZZKSNSMNVIBY-ZHALLVOQSA-N 1 3 304.478 2.941 20 0 DFADHO C[C@@H]1C[C@@H](C)N(CCCOCCc2ccccc2)C[C@H]1C[NH3+] ZINC000422625264 296316600 /nfs/dbraw/zinc/31/66/00/296316600.db2.gz BBZZKSNSMNVIBY-ZHALLVOQSA-N 1 3 304.478 2.941 20 0 DFADHO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)CCO2 ZINC000623494566 399401100 /nfs/dbraw/zinc/40/11/00/399401100.db2.gz URCNVIXDOAXFEP-BBRMVZONSA-N 1 3 304.434 2.981 20 0 DFADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc(COC2CCOCC2)c1 ZINC000422703251 296318490 /nfs/dbraw/zinc/31/84/90/296318490.db2.gz HHBCCKIAHAUTJA-CABCVRRESA-N 1 3 306.450 2.598 20 0 DFADHO CC[C@H](NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422702573 296318354 /nfs/dbraw/zinc/31/83/54/296318354.db2.gz LBWSIDXHQQTZMK-OALUTQOASA-N 1 3 315.505 2.944 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422704043 296319124 /nfs/dbraw/zinc/31/91/24/296319124.db2.gz JRORZQGIOGTNFB-JQHSSLGASA-N 1 3 312.498 2.848 20 0 DFADHO c1ccc([C@H]2C[C@@H]([NH2+]C3CCN(CC4CC4)CC3)CCN2)cc1 ZINC000422710607 296319697 /nfs/dbraw/zinc/31/96/97/296319697.db2.gz FDHBNONWWAPFOQ-VQTJNVASSA-N 1 3 313.489 2.944 20 0 DFADHO CC(=O)Nc1ccc(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422708693 296319332 /nfs/dbraw/zinc/31/93/32/296319332.db2.gz CGPFMUFUPKHYOW-RBUKOAKNSA-N 1 3 309.413 2.922 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc(COC2CCOCC2)c1 ZINC000422713431 296320119 /nfs/dbraw/zinc/32/01/19/296320119.db2.gz PRCZYXUZNLTZDV-MJGOQNOKSA-N 1 3 318.461 2.599 20 0 DFADHO CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000422712120 296320277 /nfs/dbraw/zinc/32/02/77/296320277.db2.gz GKJQXBDLMCXRJC-RDJZCZTQSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000422715548 296320401 /nfs/dbraw/zinc/32/04/01/296320401.db2.gz SGCDZMNHCACKBO-HEHGZKQESA-N 1 3 310.869 2.960 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC(C)(C)c1ccccc1Cl ZINC000422715548 296320404 /nfs/dbraw/zinc/32/04/04/296320404.db2.gz SGCDZMNHCACKBO-HEHGZKQESA-N 1 3 310.869 2.960 20 0 DFADHO Cc1[nH]c2ccc(CN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])cc2c1C ZINC000422721804 296321580 /nfs/dbraw/zinc/32/15/80/296321580.db2.gz OIXZHEMROUWYJD-CSMYWGQOSA-N 1 3 301.434 2.627 20 0 DFADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723536 296321652 /nfs/dbraw/zinc/32/16/52/296321652.db2.gz RSPXXKIXEJVWNO-SCLBCKFNSA-N 1 3 323.431 2.517 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1CN(C)C ZINC000273267844 210642634 /nfs/dbraw/zinc/64/26/34/210642634.db2.gz UQKNUQCKSCABPQ-CQSZACIVSA-N 1 3 305.466 2.531 20 0 DFADHO CN(C)C(=O)C1(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCCC1 ZINC000422728001 296322485 /nfs/dbraw/zinc/32/24/85/296322485.db2.gz INXFHZSIWIUFQS-GVDBMIGSSA-N 1 3 321.509 2.535 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1cccs1)N1CCCC1 ZINC000422731445 296323129 /nfs/dbraw/zinc/32/31/29/296323129.db2.gz LRVWARKICLOGSJ-OWCLPIDISA-N 1 3 307.507 2.863 20 0 DFADHO c1cc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000422730912 296323148 /nfs/dbraw/zinc/32/31/48/296323148.db2.gz MTOCXISTDYEZSX-RCCFBDPRSA-N 1 3 300.446 2.674 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cc(F)cc(Br)c1 ZINC000422730484 296323200 /nfs/dbraw/zinc/32/32/00/296323200.db2.gz JTUQXFGMSGABTE-ZWNOBZJWSA-N 1 3 301.203 2.805 20 0 DFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1(C(=O)N(C)C)CCCC1 ZINC000422730586 296323269 /nfs/dbraw/zinc/32/32/69/296323269.db2.gz MFPLCUHMLAPTOE-HOTGVXAUSA-N 1 3 309.498 2.535 20 0 DFADHO Cn1nccc1-c1ccccc1CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000623657599 399436362 /nfs/dbraw/zinc/43/63/62/399436362.db2.gz VDXLMUPLNJVCCJ-INIZCTEOSA-N 1 3 312.461 2.909 20 0 DFADHO Cn1nccc1-c1ccccc1CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657599 399436364 /nfs/dbraw/zinc/43/63/64/399436364.db2.gz VDXLMUPLNJVCCJ-INIZCTEOSA-N 1 3 312.461 2.909 20 0 DFADHO Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623657599 399436366 /nfs/dbraw/zinc/43/63/66/399436366.db2.gz VDXLMUPLNJVCCJ-INIZCTEOSA-N 1 3 312.461 2.909 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cccc(OCCN(C)C)c1 ZINC000269048578 207198996 /nfs/dbraw/zinc/19/89/96/207198996.db2.gz WZZZZGYVGIAZLK-IEZWGBDMSA-N 1 3 320.477 2.829 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000269073037 207221645 /nfs/dbraw/zinc/22/16/45/207221645.db2.gz NDBCLUADJPFNPN-GDBMZVCRSA-N 1 3 324.465 2.711 20 0 DFADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000269081706 207228014 /nfs/dbraw/zinc/22/80/14/207228014.db2.gz ZUFYLQBSZNDUCU-NSHDSACASA-N 1 3 300.805 2.586 20 0 DFADHO c1csc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)c1 ZINC000422733016 296323586 /nfs/dbraw/zinc/32/35/86/296323586.db2.gz PZTDZVXXOXBQDS-VFSICIBPSA-N 1 3 305.491 2.758 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1c(Cl)cccc1Cl ZINC000422738501 296324004 /nfs/dbraw/zinc/32/40/04/296324004.db2.gz JMJJPTRFXHNUOD-WBIUFABUSA-N 1 3 317.260 2.878 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000422738501 296324005 /nfs/dbraw/zinc/32/40/05/296324005.db2.gz JMJJPTRFXHNUOD-WBIUFABUSA-N 1 3 317.260 2.878 20 0 DFADHO CC[C@@H]([NH2+]CCN1CCc2sccc2C1)[C@H]1CCCCN1 ZINC000422738504 296324225 /nfs/dbraw/zinc/32/42/25/296324225.db2.gz JMPWAHBVDGZJIF-HZPDHXFCSA-N 1 3 307.507 2.617 20 0 DFADHO CC(C)[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000269223772 207344477 /nfs/dbraw/zinc/34/44/77/207344477.db2.gz CAINUYZNYVHDNX-WMLDXEAASA-N 1 3 303.450 2.983 20 0 DFADHO CC(C)[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000269223772 207344481 /nfs/dbraw/zinc/34/44/81/207344481.db2.gz CAINUYZNYVHDNX-WMLDXEAASA-N 1 3 303.450 2.983 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1ccccc1C(F)(F)F ZINC000422743577 296324977 /nfs/dbraw/zinc/32/49/77/296324977.db2.gz UHEOUOOEGBUNQF-CORIIIEPSA-N 1 3 316.367 2.590 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000422743577 296324980 /nfs/dbraw/zinc/32/49/80/296324980.db2.gz UHEOUOOEGBUNQF-CORIIIEPSA-N 1 3 316.367 2.590 20 0 DFADHO C[C@H](c1ccccc1)N1CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000422745763 296325239 /nfs/dbraw/zinc/32/52/39/296325239.db2.gz MUXNZJWGTGYJRS-AYBZRNKSSA-N 1 3 301.478 2.929 20 0 DFADHO CC1CCN([C@H](CN[C@H]2CCC[C@@H]2[NH3+])c2ccccc2)CC1 ZINC000422745458 296325219 /nfs/dbraw/zinc/32/52/19/296325219.db2.gz XTORXNAOPKOAJT-GBESFXJTSA-N 1 3 301.478 2.929 20 0 DFADHO CC[C@@H](NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422747149 296325880 /nfs/dbraw/zinc/32/58/80/296325880.db2.gz YAUIVVAGUWOURO-OTWHNJEPSA-N 1 3 301.478 2.771 20 0 DFADHO CC[C@@H](NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422747150 296325901 /nfs/dbraw/zinc/32/59/01/296325901.db2.gz YAUIVVAGUWOURO-QRVBRYPASA-N 1 3 301.478 2.771 20 0 DFADHO CCc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422750373 296326164 /nfs/dbraw/zinc/32/61/64/296326164.db2.gz CZCZAOSLWDBINA-GUDVDZBRSA-N 1 3 302.462 2.538 20 0 DFADHO C[C@H](NCC1(c2cccc(Cl)c2)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000422755446 296327448 /nfs/dbraw/zinc/32/74/48/296327448.db2.gz HTFSDPBXOCELMJ-LSDHHAIUSA-N 1 3 322.880 2.976 20 0 DFADHO CC(C)(C)C[C@H](O)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422767055 296329534 /nfs/dbraw/zinc/32/95/34/296329534.db2.gz SDTWHBUCESZYIV-ZSZQSSIHSA-N 1 3 318.461 2.629 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1(N(C)C)CCCCC1 ZINC000422767151 296329612 /nfs/dbraw/zinc/32/96/12/296329612.db2.gz YERGWPKUCSBTKQ-FUHWJXTLSA-N 1 3 303.494 2.799 20 0 DFADHO Cc1cc(F)ccc1N1CCC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000422769230 296330042 /nfs/dbraw/zinc/33/00/42/296330042.db2.gz VIWCFEPBUJFJGD-IAGOWNOFSA-N 1 3 305.441 2.835 20 0 DFADHO c1ccc(SCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422768745 296330079 /nfs/dbraw/zinc/33/00/79/296330079.db2.gz NZZVFJUCHAWJAP-YESZJQIVSA-N 1 3 306.475 2.525 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCSc1ccc(Cl)cc1 ZINC000422774882 296330971 /nfs/dbraw/zinc/33/09/71/296330971.db2.gz YVJMCTBMEWHPEM-GLQYFDAESA-N 1 3 314.882 2.774 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000422772419 296330782 /nfs/dbraw/zinc/33/07/82/296330782.db2.gz YIMYQWVJBGLGSC-QFBILLFUSA-N 1 3 324.472 2.774 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCCCN1Cc1ccccc1 ZINC000422781639 296331804 /nfs/dbraw/zinc/33/18/04/296331804.db2.gz LZGZOOMMWYASEP-BHIYHBOVSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000422781639 296331805 /nfs/dbraw/zinc/33/18/05/296331805.db2.gz LZGZOOMMWYASEP-BHIYHBOVSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccccc1C(F)(F)F ZINC000422778667 296331511 /nfs/dbraw/zinc/33/15/11/296331511.db2.gz HVUYRLAUIZTEFB-JKOKRWQUSA-N 1 3 302.340 2.547 20 0 DFADHO C[C@H](NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CC[NH2+]C1 ZINC000422784079 296332309 /nfs/dbraw/zinc/33/23/09/296332309.db2.gz LVALOBHTAKYUPW-HOCLYGCPSA-N 1 3 321.896 2.892 20 0 DFADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422788387 296332974 /nfs/dbraw/zinc/33/29/74/296332974.db2.gz AMHPYAJFTCGMGQ-RHSMWYFYSA-N 1 3 303.450 2.759 20 0 DFADHO CSCC[C@H](N[C@H](C)CCCC[NH3+])c1nnc2ccccn21 ZINC000422794495 296334033 /nfs/dbraw/zinc/33/40/33/296334033.db2.gz GUCRIKLXRHITHV-KGLIPLIRSA-N 1 3 321.494 2.631 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])c1cccc(OC)c1 ZINC000422797259 296334797 /nfs/dbraw/zinc/33/47/97/296334797.db2.gz LSAJRYRQZCPWON-YTQUADARSA-N 1 3 319.493 2.795 20 0 DFADHO CC[C@H](N)C(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000269268210 207413730 /nfs/dbraw/zinc/41/37/30/207413730.db2.gz QLUHTUXOQHUNTH-ZBFHGGJFSA-N 1 3 305.466 2.750 20 0 DFADHO c1ccc2c(c1)CCN(CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422802911 296335838 /nfs/dbraw/zinc/33/58/38/296335838.db2.gz HWWYUDYHIITIGX-AQNXPRMDSA-N 1 3 313.489 2.555 20 0 DFADHO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000422803040 296335877 /nfs/dbraw/zinc/33/58/77/296335877.db2.gz CHUSYAMAMOCCSV-ZWKOTPCHSA-N 1 3 317.477 2.918 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000422804747 296336287 /nfs/dbraw/zinc/33/62/87/296336287.db2.gz LCOIDJYLZXVCBL-JCGIZDLHSA-N 1 3 317.502 2.899 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](c1ccsc1)N(C)C ZINC000422804747 296336288 /nfs/dbraw/zinc/33/62/88/296336288.db2.gz LCOIDJYLZXVCBL-JCGIZDLHSA-N 1 3 317.502 2.899 20 0 DFADHO CO[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422806735 296336757 /nfs/dbraw/zinc/33/67/57/296336757.db2.gz LDPJBVDHLZKCDX-CGTJXYLNSA-N 1 3 304.434 2.503 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCOc1ccc2ccccc2c1 ZINC000422809958 296336983 /nfs/dbraw/zinc/33/69/83/296336983.db2.gz MVBFYVGZTVDHGC-GDIGMMSISA-N 1 3 314.429 2.561 20 0 DFADHO c1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422810832 296337149 /nfs/dbraw/zinc/33/71/49/296337149.db2.gz NYUBISKKGAKSIC-CEXWTWQISA-N 1 3 314.473 2.855 20 0 DFADHO CC[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000422812572 296337702 /nfs/dbraw/zinc/33/77/02/296337702.db2.gz WOQPNNCTRBVUJF-DBVUQKKJSA-N 1 3 315.505 2.801 20 0 DFADHO C[C@@H](NCCCN1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422812175 296337725 /nfs/dbraw/zinc/33/77/25/296337725.db2.gz VSYUQLPWHNCURF-APWZRJJASA-N 1 3 301.478 2.555 20 0 DFADHO CC[C@@H]([NH2+]CCN1CCc2ccccc2C1)[C@@H]1CCCCN1 ZINC000422812647 296337620 /nfs/dbraw/zinc/33/76/20/296337620.db2.gz YCLYXYHYFHNDPD-MOPGFXCFSA-N 1 3 301.478 2.555 20 0 DFADHO C[C@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)C[C@H]1CN ZINC000631841742 399506102 /nfs/dbraw/zinc/50/61/02/399506102.db2.gz PDSLJOBFWFVELB-GOEBONIOSA-N 1 3 311.429 2.695 20 0 DFADHO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)C[C@H]1CN ZINC000631841742 399506106 /nfs/dbraw/zinc/50/61/06/399506106.db2.gz PDSLJOBFWFVELB-GOEBONIOSA-N 1 3 311.429 2.695 20 0 DFADHO C[C@H]1CN(CCC(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000631841742 399506108 /nfs/dbraw/zinc/50/61/08/399506108.db2.gz PDSLJOBFWFVELB-GOEBONIOSA-N 1 3 311.429 2.695 20 0 DFADHO C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000631841419 399506326 /nfs/dbraw/zinc/50/63/26/399506326.db2.gz KKGPDCTYYSEGHU-CRAIPNDOSA-N 1 3 323.440 2.966 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000422819306 296339129 /nfs/dbraw/zinc/33/91/29/296339129.db2.gz MPRBHEMHQPVUKD-CQSZACIVSA-N 1 3 304.482 2.620 20 0 DFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@H]1CCCSC1 ZINC000422815243 296338357 /nfs/dbraw/zinc/33/83/57/296338357.db2.gz BAZJVRSEWRAAMI-YSVLISHTSA-N 1 3 304.459 2.728 20 0 DFADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000422815330 296338435 /nfs/dbraw/zinc/33/84/35/296338435.db2.gz XKHWFGFUYTWQID-VXGBXAGGSA-N 1 3 313.401 2.989 20 0 DFADHO C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC000631846250 399507692 /nfs/dbraw/zinc/50/76/92/399507692.db2.gz WXXPFNYYUGVBSM-IFXJQAMLSA-N 1 3 321.428 2.898 20 0 DFADHO C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC000631846250 399507696 /nfs/dbraw/zinc/50/76/96/399507696.db2.gz WXXPFNYYUGVBSM-IFXJQAMLSA-N 1 3 321.428 2.898 20 0 DFADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)OCCO2 ZINC000422823391 296339779 /nfs/dbraw/zinc/33/97/79/296339779.db2.gz LKYULCZCNWIWLR-XYPWUTKMSA-N 1 3 316.445 2.608 20 0 DFADHO CCN(CC)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422828727 296340644 /nfs/dbraw/zinc/34/06/44/296340644.db2.gz GPKJUCMUMGBEJP-NZSAHSFTSA-N 1 3 303.494 2.670 20 0 DFADHO CCN(CC)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422828732 296340685 /nfs/dbraw/zinc/34/06/85/296340685.db2.gz GPKJUCMUMGBEJP-YTQUADARSA-N 1 3 303.494 2.670 20 0 DFADHO Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000422833770 296341766 /nfs/dbraw/zinc/34/17/66/296341766.db2.gz WNZQQVZVJJYQJG-OTWHNJEPSA-N 1 3 301.478 2.849 20 0 DFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)C1 ZINC000422836439 296342070 /nfs/dbraw/zinc/34/20/70/296342070.db2.gz KFOKWAHVIZHHTN-INDMIFKZSA-N 1 3 301.478 2.942 20 0 DFADHO CCN(CC)[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000422836468 296342176 /nfs/dbraw/zinc/34/21/76/296342176.db2.gz RFHRPANSTWBTTD-NEWSRXKRSA-N 1 3 303.494 2.527 20 0 DFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCC(=O)N1CCCCCC1 ZINC000422843006 296342981 /nfs/dbraw/zinc/34/29/81/296342981.db2.gz GRFAUNPOVXRLJT-DLBZAZTESA-N 1 3 309.498 2.680 20 0 DFADHO COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000422845261 296343810 /nfs/dbraw/zinc/34/38/10/296343810.db2.gz BINCSMNCIKANCY-IKGGRYGDSA-N 1 3 317.477 2.629 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422845657 296343812 /nfs/dbraw/zinc/34/38/12/296343812.db2.gz OMMXULMVMZLIBE-WMZOPIPTSA-N 1 3 324.428 2.551 20 0 DFADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000422846392 296344080 /nfs/dbraw/zinc/34/40/80/296344080.db2.gz FJKDSWVNEAXUCH-JCGIZDLHSA-N 1 3 320.452 2.850 20 0 DFADHO C[C@H](CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422853347 296345192 /nfs/dbraw/zinc/34/51/92/296345192.db2.gz SAODVYHIFGUDME-QXCFHYIPSA-N 1 3 302.462 2.927 20 0 DFADHO COc1ccccc1N1CC[C@@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422853310 296345264 /nfs/dbraw/zinc/34/52/64/296345264.db2.gz RXRSKQPKNHGYEB-IKGGRYGDSA-N 1 3 317.477 2.642 20 0 DFADHO CC[C@@H](NC1CCN(c2ccccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422860840 296346580 /nfs/dbraw/zinc/34/65/80/296346580.db2.gz LWUHWVUEHXBRMQ-IAGOWNOFSA-N 1 3 302.466 2.561 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1 ZINC000422865469 296346953 /nfs/dbraw/zinc/34/69/53/296346953.db2.gz YEIZORRIJBUCLL-XKGZKEIXSA-N 1 3 309.457 2.813 20 0 DFADHO CCOCCOCc1cccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422858531 296345864 /nfs/dbraw/zinc/34/58/64/296345864.db2.gz IWUCVOGPFMXSJA-VQIMIIECSA-N 1 3 320.477 2.717 20 0 DFADHO COc1cc2[nH]c(CCC[NH2+][C@@H](C)C[C@@H](C)N)cc2c(OC)c1 ZINC000422866776 296347246 /nfs/dbraw/zinc/34/72/46/296347246.db2.gz RBNYMFHVSQXQHE-OLZOCXBDSA-N 1 3 319.449 2.833 20 0 DFADHO CC1CCN(CC[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000422868961 296347297 /nfs/dbraw/zinc/34/72/97/296347297.db2.gz WJTGOGLVVZDRMO-MOPGFXCFSA-N 1 3 301.478 2.801 20 0 DFADHO COc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c(C(F)(F)F)c1 ZINC000422877213 296349206 /nfs/dbraw/zinc/34/92/06/296349206.db2.gz HJGAFPUSVRTDBH-QMTHXVAHSA-N 1 3 302.340 2.931 20 0 DFADHO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+][C@@H](C)C2CNC2)C1 ZINC000422881600 296349919 /nfs/dbraw/zinc/34/99/19/296349919.db2.gz QQPWVPVKWHWEST-KBPBESRZSA-N 1 3 307.869 2.672 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000422884007 296350047 /nfs/dbraw/zinc/35/00/47/296350047.db2.gz RGEGOBQEBICDOX-JYJNAYRXSA-N 1 3 318.509 2.867 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884009 296350186 /nfs/dbraw/zinc/35/01/86/296350186.db2.gz RGEGOBQEBICDOX-OWCLPIDISA-N 1 3 318.509 2.867 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884009 296350187 /nfs/dbraw/zinc/35/01/87/296350187.db2.gz RGEGOBQEBICDOX-OWCLPIDISA-N 1 3 318.509 2.867 20 0 DFADHO COc1ccc(CCN[C@@H](C)C[C@@H](C)[NH3+])cc1OC(F)F ZINC000422879834 296349497 /nfs/dbraw/zinc/34/94/97/296349497.db2.gz MVDVJELSODFMHQ-MNOVXSKESA-N 1 3 302.365 2.555 20 0 DFADHO COc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)N)cc1OC(F)F ZINC000422879834 296349498 /nfs/dbraw/zinc/34/94/98/296349498.db2.gz MVDVJELSODFMHQ-MNOVXSKESA-N 1 3 302.365 2.555 20 0 DFADHO COC1CCN(C(C)(C)CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422891293 296351557 /nfs/dbraw/zinc/35/15/57/296351557.db2.gz VBYRXTPMEFXNIG-ZWKOTPCHSA-N 1 3 317.477 2.610 20 0 DFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)c2ccccc2CN(C)C)cc1 ZINC000422885051 296350639 /nfs/dbraw/zinc/35/06/39/296350639.db2.gz GHQUSSBQMLQGCQ-CQSZACIVSA-N 1 3 311.429 2.698 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422900047 296352880 /nfs/dbraw/zinc/35/28/80/296352880.db2.gz PTNOLNUMCFVIHK-VKJFTORMSA-N 1 3 305.441 2.630 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422901255 296353153 /nfs/dbraw/zinc/35/31/53/296353153.db2.gz RSSPATGPTFGVPQ-VKJFTORMSA-N 1 3 305.441 2.759 20 0 DFADHO N[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000422897707 296352388 /nfs/dbraw/zinc/35/23/88/296352388.db2.gz KERTYIJJAOQYPX-WOJBJXKFSA-N 1 3 322.456 2.780 20 0 DFADHO [NH3+][C@@H]1C[C@@H](NC2CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000422897707 296352390 /nfs/dbraw/zinc/35/23/90/296352390.db2.gz KERTYIJJAOQYPX-WOJBJXKFSA-N 1 3 322.456 2.780 20 0 DFADHO CCOC1CC(N(C)CC(C)C[N@H+](C)C2CC(OCC)C2)C1 ZINC000347453904 285045408 /nfs/dbraw/zinc/04/54/08/285045408.db2.gz MXJYRHUAIRGQLO-UHFFFAOYSA-N 1 3 312.498 2.621 20 0 DFADHO CCOC1CC(N(C)CC(C)C[N@@H+](C)C2CC(OCC)C2)C1 ZINC000347453904 285045411 /nfs/dbraw/zinc/04/54/11/285045411.db2.gz MXJYRHUAIRGQLO-UHFFFAOYSA-N 1 3 312.498 2.621 20 0 DFADHO CCCCOc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)cc1 ZINC000422904037 296354019 /nfs/dbraw/zinc/35/40/19/296354019.db2.gz WTBUYUGYAMUVQC-ATZDWAIDSA-N 1 3 320.477 2.750 20 0 DFADHO CCCCOc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422904037 296354020 /nfs/dbraw/zinc/35/40/20/296354020.db2.gz WTBUYUGYAMUVQC-ATZDWAIDSA-N 1 3 320.477 2.750 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422906107 296354261 /nfs/dbraw/zinc/35/42/61/296354261.db2.gz JDHJOPHWWCQBEX-KGLIPLIRSA-N 1 3 307.507 2.932 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCCc1nc2c(s1)CCCC2 ZINC000422906107 296354262 /nfs/dbraw/zinc/35/42/62/296354262.db2.gz JDHJOPHWWCQBEX-KGLIPLIRSA-N 1 3 307.507 2.932 20 0 DFADHO CC(C)c1nc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000422907262 296354296 /nfs/dbraw/zinc/35/42/96/296354296.db2.gz WSEBLBNVWKFNLP-HRCADAONSA-N 1 3 323.506 2.556 20 0 DFADHO CCc1nc(CN2CCC(C[NH2+][C@@H](C)C[C@@H](C)N)CC2)cs1 ZINC000422913838 296355313 /nfs/dbraw/zinc/35/53/13/296355313.db2.gz QWFYKMOLECUIHZ-KGLIPLIRSA-N 1 3 324.538 2.633 20 0 DFADHO CSC1(CN[C@H](C)C[C@H]2CCCCC[NH2+]2)CCOCC1 ZINC000422917262 296355149 /nfs/dbraw/zinc/35/51/49/296355149.db2.gz FSXJRUGSYOBPLF-HUUCEWRRSA-N 1 3 300.512 2.799 20 0 DFADHO COc1cc(OC)cc(OCCCN[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422929027 296356516 /nfs/dbraw/zinc/35/65/16/296356516.db2.gz NYFNCJCQPJFKTG-ZWKOTPCHSA-N 1 3 322.449 2.722 20 0 DFADHO CC[C@@H](Cc1ccccc1Br)[NH2+][C@H](C)C1CNC1 ZINC000422928201 296356598 /nfs/dbraw/zinc/35/65/98/296356598.db2.gz JLYXNRRATFLWPK-RISCZKNCSA-N 1 3 311.267 2.968 20 0 DFADHO CC[C@@H](Cc1ccccc1Br)N[C@H](C)C1C[NH2+]C1 ZINC000422928201 296356599 /nfs/dbraw/zinc/35/65/99/296356599.db2.gz JLYXNRRATFLWPK-RISCZKNCSA-N 1 3 311.267 2.968 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1ccc(F)c(Br)c1 ZINC000422931305 296356881 /nfs/dbraw/zinc/35/68/81/296356881.db2.gz BMAUVIKAEWIBAL-OLZOCXBDSA-N 1 3 301.203 2.600 20 0 DFADHO CC(C)c1noc(CCCN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])n1 ZINC000422943620 296358672 /nfs/dbraw/zinc/35/86/72/296358672.db2.gz YNSNNRPIOOOPIH-GDBMZVCRSA-N 1 3 316.449 2.674 20 0 DFADHO CC(C)c1ccc(OCCN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422950685 296359979 /nfs/dbraw/zinc/35/99/79/296359979.db2.gz WNBYDWFUQBQEHU-BMGDILEWSA-N 1 3 306.450 2.531 20 0 DFADHO Cc1csc([C@H](C)NCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000624009900 399521922 /nfs/dbraw/zinc/52/19/22/399521922.db2.gz DELZYGISYFGXRU-AWEZNQCLSA-N 1 3 323.506 2.993 20 0 DFADHO c1cn(-c2ccccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000422966987 296362037 /nfs/dbraw/zinc/36/20/37/296362037.db2.gz OMDQITZBSWOJEJ-FGTMMUONSA-N 1 3 310.445 2.883 20 0 DFADHO C[C@H](Nc1cccc(CN2CCSCC2)c1)[C@H]1CC[NH2+]C1 ZINC000422957654 296361147 /nfs/dbraw/zinc/36/11/47/296361147.db2.gz USUJLBKAXLEJLN-HOCLYGCPSA-N 1 3 305.491 2.645 20 0 DFADHO CC(C)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)N)N1CCCC1 ZINC000422967109 296362560 /nfs/dbraw/zinc/36/25/60/296362560.db2.gz SJQAOPNPHTXEDX-UHOSZYNNSA-N 1 3 303.494 2.655 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCOc1cccc(C(C)(C)C)c1 ZINC000422983281 296363970 /nfs/dbraw/zinc/36/39/70/296363970.db2.gz SPAOZKALLBUYTK-BMGDILEWSA-N 1 3 320.477 2.705 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cnc(C2CC2)nc1 ZINC000423009535 296367012 /nfs/dbraw/zinc/36/70/12/296367012.db2.gz DFANCWDSKYQACM-PBHICJAKSA-N 1 3 302.466 2.797 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000423014875 296367853 /nfs/dbraw/zinc/36/78/53/296367853.db2.gz PZEIKWGGXFHQRD-RYUDHWBXSA-N 1 3 317.355 2.586 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423012402 296367527 /nfs/dbraw/zinc/36/75/27/296367527.db2.gz KRFNQVNIJBWSFP-KUDNYVPYSA-N 1 3 313.848 2.940 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)[C@H]1CCCCN1 ZINC000423018345 296368424 /nfs/dbraw/zinc/36/84/24/296368424.db2.gz YOYLKJLXUOWGTK-ZMSDIMECSA-N 1 3 305.441 2.915 20 0 DFADHO CC1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000423017871 296368648 /nfs/dbraw/zinc/36/86/48/296368648.db2.gz PRJMLAFKRYUCHX-IPMKNSEASA-N 1 3 314.473 2.538 20 0 DFADHO CCC(CC)(CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])C(=O)OC ZINC000423036035 296370149 /nfs/dbraw/zinc/37/01/49/296370149.db2.gz KOKTUYYGWWRUGT-HOCLYGCPSA-N 1 3 306.450 2.514 20 0 DFADHO Cc1cccc2c1C[C@H](N[C@@H]1CC[N@@H+](C)[C@H]3CCC[C@H]31)CO2 ZINC000624070620 399542866 /nfs/dbraw/zinc/54/28/66/399542866.db2.gz LFHWPAFYBBHEPZ-ONIAQPFYSA-N 1 3 300.446 2.761 20 0 DFADHO Cc1cccc2c1C[C@H](N[C@@H]1CC[N@H+](C)[C@H]3CCC[C@H]31)CO2 ZINC000624070620 399542871 /nfs/dbraw/zinc/54/28/71/399542871.db2.gz LFHWPAFYBBHEPZ-ONIAQPFYSA-N 1 3 300.446 2.761 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2ccccc2Cl)CC1 ZINC000423028908 296369761 /nfs/dbraw/zinc/36/97/61/296369761.db2.gz TYQHOLTTZIDOOU-HEHGZKQESA-N 1 3 308.853 2.714 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423028908 296369762 /nfs/dbraw/zinc/36/97/62/296369762.db2.gz TYQHOLTTZIDOOU-HEHGZKQESA-N 1 3 308.853 2.714 20 0 DFADHO CS[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000423031986 296370015 /nfs/dbraw/zinc/37/00/15/296370015.db2.gz LYWUFUDZGWWWMY-GBJTYRQASA-N 1 3 300.512 2.511 20 0 DFADHO Fc1ccc(-c2noc(CCCN[C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000423030896 296370057 /nfs/dbraw/zinc/37/00/57/296370057.db2.gz KDUMGJWSYVWXQY-OAHLLOKOSA-N 1 3 318.396 2.540 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]1NCCc1c[nH]c2ccc(Br)cc12 ZINC000423037681 296370606 /nfs/dbraw/zinc/37/06/06/296370606.db2.gz WOPSFTKTASGQFV-UKRRQHHQSA-N 1 3 322.250 2.942 20 0 DFADHO COc1cccc([C@@H]2[C@H](N[C@@H](C)C[C@@H](C)[NH3+])CCN2C2CC2)c1 ZINC000423041745 296370811 /nfs/dbraw/zinc/37/08/11/296370811.db2.gz JQCLQIJPMMINDS-GTYSZEQSSA-N 1 3 317.477 2.688 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1nn(C)c2ccccc12 ZINC000423046616 296371524 /nfs/dbraw/zinc/37/15/24/296371524.db2.gz DVPPVOKDYWAZOF-HNAYVOBHSA-N 1 3 322.456 2.664 20 0 DFADHO Clc1ccc(N2CC[C@@H]([NH2+]C3CCNCC3)C2)cc1Cl ZINC000423045822 296371639 /nfs/dbraw/zinc/37/16/39/296371639.db2.gz SRVRYGMZTDQDQA-GFCCVEGCSA-N 1 3 314.260 2.914 20 0 DFADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])OC(C)C ZINC000423053415 296372442 /nfs/dbraw/zinc/37/24/42/296372442.db2.gz RZPXXQSBPWJHIF-LESCRADOSA-N 1 3 306.450 2.878 20 0 DFADHO CCC(CC)(CN[C@@H](C)C1C[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000423055735 296372827 /nfs/dbraw/zinc/37/28/27/296372827.db2.gz WYQKFTUQLAAMBH-AWEZNQCLSA-N 1 3 320.477 2.959 20 0 DFADHO CCC(CC)(C[NH2+][C@@H](C)C1CNC1)c1ccc(OC)c(OC)c1 ZINC000423055735 296372828 /nfs/dbraw/zinc/37/28/28/296372828.db2.gz WYQKFTUQLAAMBH-AWEZNQCLSA-N 1 3 320.477 2.959 20 0 DFADHO C[C@H](NCCc1cn(C)c2cc(Cl)ccc12)[C@@H]1CC[NH2+]C1 ZINC000423063261 296373821 /nfs/dbraw/zinc/37/38/21/296373821.db2.gz OKRMHNNIGIFCIS-QWHCGFSZSA-N 1 3 305.853 2.962 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423071638 296374840 /nfs/dbraw/zinc/37/48/40/296374840.db2.gz GADHVDVQZNBWBX-LBTBCDHLSA-N 1 3 308.441 2.615 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423071638 296374841 /nfs/dbraw/zinc/37/48/41/296374841.db2.gz GADHVDVQZNBWBX-LBTBCDHLSA-N 1 3 308.441 2.615 20 0 DFADHO C[C@H](O)[C@](C)(CN[C@H]1CC[NH2+]CC[C@H]1C)Cc1ccccc1 ZINC000423080466 296376066 /nfs/dbraw/zinc/37/60/66/296376066.db2.gz SOXDXFKZRPQZGX-NEPXVJNWSA-N 1 3 304.478 2.594 20 0 DFADHO C[C@H](O)[C@](C)(C[NH2+][C@H]1CCNCC[C@H]1C)Cc1ccccc1 ZINC000423080466 296376067 /nfs/dbraw/zinc/37/60/67/296376067.db2.gz SOXDXFKZRPQZGX-NEPXVJNWSA-N 1 3 304.478 2.594 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@](C)(O)C1CCCCC1 ZINC000423082993 296376488 /nfs/dbraw/zinc/37/64/88/296376488.db2.gz XZJIRSOCOCPKAJ-KFKAGJAMSA-N 1 3 304.478 2.866 20 0 DFADHO CC[C@H](NC1CCN(c2nccs2)CC1)[C@H]1CCCC[NH2+]1 ZINC000423095311 296377614 /nfs/dbraw/zinc/37/76/14/296377614.db2.gz DQNMKLCPLOPAEZ-LSDHHAIUSA-N 1 3 308.495 2.622 20 0 DFADHO Fc1ccccc1[C@H]1C[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423100678 296378124 /nfs/dbraw/zinc/37/81/24/296378124.db2.gz VLHYYPNNUQOAHP-FRFIEDCNSA-N 1 3 318.436 2.818 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](CO)CC1CCCC1 ZINC000423101011 296378171 /nfs/dbraw/zinc/37/81/71/296378171.db2.gz NIGVTPHXKPGHLA-ZYSHUDEJSA-N 1 3 304.478 2.723 20 0 DFADHO COCCCOc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000423099977 296378233 /nfs/dbraw/zinc/37/82/33/296378233.db2.gz GAYBOIPHENKINQ-ROUUACIJSA-N 1 3 306.450 2.852 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423103906 296378757 /nfs/dbraw/zinc/37/87/57/296378757.db2.gz LRGCAPBTNIHPNB-LBPRGKRZSA-N 1 3 309.417 2.618 20 0 DFADHO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423101454 296378514 /nfs/dbraw/zinc/37/85/14/296378514.db2.gz CXZRHNGPMWLEQL-YCVVXREPSA-N 1 3 302.462 2.925 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000624121055 399561482 /nfs/dbraw/zinc/56/14/82/399561482.db2.gz MTGIQYVHBLWCGH-GJZGRUSLSA-N 1 3 315.461 2.954 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]1NCCc1c[nH]c2cccc(Br)c12 ZINC000423120718 296380700 /nfs/dbraw/zinc/38/07/00/296380700.db2.gz HLPIJJIACSBKPN-CHWSQXEVSA-N 1 3 322.250 2.942 20 0 DFADHO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)c(C)c1 ZINC000423124364 296381416 /nfs/dbraw/zinc/38/14/16/296381416.db2.gz GIHZXVVHHXWHAZ-SOLBZPMBSA-N 1 3 304.478 2.923 20 0 DFADHO C[C@H](N[C@H]1c2ccccc2CC12CCOCC2)[C@@H]1CC[NH2+]C1 ZINC000423124788 296381517 /nfs/dbraw/zinc/38/15/17/296381517.db2.gz PCYHPKJOTNBJJK-LESCRADOSA-N 1 3 300.446 2.668 20 0 DFADHO C[C@H](NC1(Cc2ccccc2Br)CC1)C1C[NH2+]C1 ZINC000423121707 296381052 /nfs/dbraw/zinc/38/10/52/296381052.db2.gz BDCLWDXRYBCFSR-NSHDSACASA-N 1 3 309.251 2.722 20 0 DFADHO C[C@H]([NH2+]C1(Cc2ccccc2Br)CC1)C1CNC1 ZINC000423121707 296381054 /nfs/dbraw/zinc/38/10/54/296381054.db2.gz BDCLWDXRYBCFSR-NSHDSACASA-N 1 3 309.251 2.722 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000624124152 399563058 /nfs/dbraw/zinc/56/30/58/399563058.db2.gz YPOHPLVPXZGGKJ-OLZOCXBDSA-N 1 3 303.406 2.916 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@@H](C)[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000423131883 296382287 /nfs/dbraw/zinc/38/22/87/296382287.db2.gz TVOFSMKCJRLXRM-WDYCEAGBSA-N 1 3 319.493 2.664 20 0 DFADHO C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@H]1CCCCN1 ZINC000423136326 296383133 /nfs/dbraw/zinc/38/31/33/296383133.db2.gz PBUCJVNGORUWHX-BXUZGUMPSA-N 1 3 301.356 2.763 20 0 DFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423142112 296383851 /nfs/dbraw/zinc/38/38/51/296383851.db2.gz UASNZPOQWPLOPB-BFYDXBDKSA-N 1 3 305.441 2.630 20 0 DFADHO COc1ccc(CCN[C@H]2CCC[NH2+]CC2)c(Cl)c1OC ZINC000423140657 296383912 /nfs/dbraw/zinc/38/39/12/296383912.db2.gz ZAFPMYQQSCRLDM-ZDUSSCGKSA-N 1 3 312.841 2.631 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](O)Cc1cccc(F)c1 ZINC000423142417 296384045 /nfs/dbraw/zinc/38/40/45/296384045.db2.gz AKIZMVHXDSUQGL-OLMNPRSZSA-N 1 3 308.441 2.630 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000423147202 296384933 /nfs/dbraw/zinc/38/49/33/296384933.db2.gz CCYIRLFQYYWBEP-NHYWBVRUSA-N 1 3 300.805 2.965 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423147202 296384934 /nfs/dbraw/zinc/38/49/34/296384934.db2.gz CCYIRLFQYYWBEP-NHYWBVRUSA-N 1 3 300.805 2.965 20 0 DFADHO CCC(=O)CCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000347734771 285151276 /nfs/dbraw/zinc/15/12/76/285151276.db2.gz HFSZTFZEHSPCSH-IRXDYDNUSA-N 1 3 324.509 2.957 20 0 DFADHO Cc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])CC2)c(C)c1 ZINC000423147662 296384997 /nfs/dbraw/zinc/38/49/97/296384997.db2.gz SNYLSGYUPDVWRF-XYJFISCASA-N 1 3 302.462 2.677 20 0 DFADHO Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)CC2)c(C)c1 ZINC000423147662 296384994 /nfs/dbraw/zinc/38/49/94/296384994.db2.gz SNYLSGYUPDVWRF-XYJFISCASA-N 1 3 302.462 2.677 20 0 DFADHO COC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000423148632 296385017 /nfs/dbraw/zinc/38/50/17/296385017.db2.gz GGWUMQVNCKQPJI-JTUUTPGSSA-N 1 3 308.853 2.943 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000423154370 296385814 /nfs/dbraw/zinc/38/58/14/296385814.db2.gz OVMDVXIETDSMLC-XHDPSFHLSA-N 1 3 300.805 2.836 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423172194 296387950 /nfs/dbraw/zinc/38/79/50/296387950.db2.gz RTBQNWNDIRUAED-BOVGIHKQSA-N 1 3 312.816 2.677 20 0 DFADHO CC[C@@H](NCCCN1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423179152 296388975 /nfs/dbraw/zinc/38/89/75/296388975.db2.gz HFLMVVOGYRVQMW-OAHLLOKOSA-N 1 3 313.848 2.815 20 0 DFADHO c1coc([C@@H]2C[C@H]2N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423173833 296388316 /nfs/dbraw/zinc/38/83/16/296388316.db2.gz AGCYKOWODWLACA-NNFUDEMPSA-N 1 3 310.397 2.981 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CS1 ZINC000423176899 296388476 /nfs/dbraw/zinc/38/84/76/296388476.db2.gz GNJVCPHICZZRQL-CXUGXGMPSA-N 1 3 304.459 2.726 20 0 DFADHO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCN ZINC000423177477 296388685 /nfs/dbraw/zinc/38/86/85/296388685.db2.gz DZPFPHAKKFHTCX-PELKAZGASA-N 1 3 301.253 2.780 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCNC2)cc1OC ZINC000423205192 296392229 /nfs/dbraw/zinc/39/22/29/296392229.db2.gz BCUDXUILJVBNGU-HRCADAONSA-N 1 3 320.477 2.921 20 0 DFADHO COc1cc(C)c(C[C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423205192 296392230 /nfs/dbraw/zinc/39/22/30/296392230.db2.gz BCUDXUILJVBNGU-HRCADAONSA-N 1 3 320.477 2.921 20 0 DFADHO Cc1ccccc1[C@H](NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000423207705 296392482 /nfs/dbraw/zinc/39/24/82/296392482.db2.gz SBTRZKLUFHFWGB-HXUWFJFHSA-N 1 3 309.457 2.579 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCCNC2)C1 ZINC000423221931 296394048 /nfs/dbraw/zinc/39/40/48/296394048.db2.gz YSMGAVQBFZHXDG-QZWWFDLISA-N 1 3 310.482 2.866 20 0 DFADHO C[C@@H](N[C@@H](C)c1cccc(N2CCOCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000423219915 296393768 /nfs/dbraw/zinc/39/37/68/296393768.db2.gz UWFJCTDQMBPIOD-LZLYRXPVSA-N 1 3 317.477 2.562 20 0 DFADHO C[C@@H]([NH3+])CCN[C@@H](C)Cc1ccc(F)cc1Br ZINC000423227146 296394762 /nfs/dbraw/zinc/39/47/62/296394762.db2.gz UPUBYHAZWUMZDK-ZJUUUORDSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@@H](N)CC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423227146 296394763 /nfs/dbraw/zinc/39/47/63/296394763.db2.gz UPUBYHAZWUMZDK-ZJUUUORDSA-N 1 3 303.219 2.846 20 0 DFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000620763819 399586794 /nfs/dbraw/zinc/58/67/94/399586794.db2.gz OJZYCJSZQRABFJ-INIZCTEOSA-N 1 3 318.465 2.600 20 0 DFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000620763819 399586796 /nfs/dbraw/zinc/58/67/96/399586796.db2.gz OJZYCJSZQRABFJ-INIZCTEOSA-N 1 3 318.465 2.600 20 0 DFADHO COC[C@H](NCC[C@H]1CC[NH2+]C1)c1cccc(Cl)c1F ZINC000423250906 296396910 /nfs/dbraw/zinc/39/69/10/296396910.db2.gz REYFAZOANBILKF-RISCZKNCSA-N 1 3 300.805 2.756 20 0 DFADHO COCCOc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423263553 296398217 /nfs/dbraw/zinc/39/82/17/296398217.db2.gz BAHCYHQDEVTVCZ-LESCRADOSA-N 1 3 306.450 2.880 20 0 DFADHO CC(C)[C@@H]([NH3+])CN[C@H]1CCc2cccc(Br)c2C1 ZINC000423263310 296398321 /nfs/dbraw/zinc/39/83/21/296398321.db2.gz AVHNUZQJXVETFS-WFASDCNBSA-N 1 3 311.267 2.879 20 0 DFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000423271482 296399041 /nfs/dbraw/zinc/39/90/41/296399041.db2.gz HPGGZLIYVFCPHN-VVLHAWIVSA-N 1 3 310.482 2.996 20 0 DFADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423274788 296399966 /nfs/dbraw/zinc/39/99/66/296399966.db2.gz MLQCFCUEIFACCC-QILLFSRXSA-N 1 3 315.461 2.982 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@@H]1CCc2cccc(Br)c2C1 ZINC000423276418 296399977 /nfs/dbraw/zinc/39/99/77/296399977.db2.gz OKZAABKGCOFOGM-WCQYABFASA-N 1 3 311.267 2.752 20 0 DFADHO CNC[C@H](C)C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423276418 296399980 /nfs/dbraw/zinc/39/99/80/296399980.db2.gz OKZAABKGCOFOGM-WCQYABFASA-N 1 3 311.267 2.752 20 0 DFADHO C[C@@H](C[NH3+])CN[C@H]1CCc2c1cc(Br)cc2F ZINC000423297097 296402133 /nfs/dbraw/zinc/40/21/33/296402133.db2.gz IRUGJELZYGUYPE-SDBXPKJASA-N 1 3 301.203 2.760 20 0 DFADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000423296108 296401906 /nfs/dbraw/zinc/40/19/06/296401906.db2.gz GDNRVFHEWSMVPI-KBPBESRZSA-N 1 3 306.454 2.806 20 0 DFADHO CCc1ccc([C@H](CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000423310829 296402861 /nfs/dbraw/zinc/40/28/61/296402861.db2.gz SIIAXYGSFZUCHM-FHLIZLRMSA-N 1 3 319.493 2.587 20 0 DFADHO C[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1cnn(C)c1 ZINC000156210373 197095275 /nfs/dbraw/zinc/09/52/75/197095275.db2.gz HRMFRTPEYOFNQD-JKSUJKDBSA-N 1 3 300.450 2.981 20 0 DFADHO C[N@H+](CC1CC1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000156185784 197093745 /nfs/dbraw/zinc/09/37/45/197093745.db2.gz QXMPRCKKXNGTCD-LJQANCHMSA-N 1 3 302.462 2.774 20 0 DFADHO C[N@@H+](CC1CC1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000156185784 197093746 /nfs/dbraw/zinc/09/37/46/197093746.db2.gz QXMPRCKKXNGTCD-LJQANCHMSA-N 1 3 302.462 2.774 20 0 DFADHO O[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000624217626 399601720 /nfs/dbraw/zinc/60/17/20/399601720.db2.gz ASCNVVWGXRSWEU-UHZRXMQZSA-N 1 3 314.473 2.648 20 0 DFADHO COc1ccc(C[C@@H](C)NCC[C@H]2CCC[NH2+]2)c(C)c1OC ZINC000423358496 296408316 /nfs/dbraw/zinc/40/83/16/296408316.db2.gz NOYKVHUHYMOIBP-CZUORRHYSA-N 1 3 306.450 2.675 20 0 DFADHO CC[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C(C)(C)C ZINC000289087833 220685975 /nfs/dbraw/zinc/68/59/75/220685975.db2.gz BIFLHSJTXBIUPG-QGZVFWFLSA-N 1 3 319.493 2.892 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000347905048 285235002 /nfs/dbraw/zinc/23/50/02/285235002.db2.gz YQZBHOSWGGOLCU-QGZVFWFLSA-N 1 3 309.498 2.584 20 0 DFADHO Cc1ccsc1[C@@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423400744 296412646 /nfs/dbraw/zinc/41/26/46/296412646.db2.gz XCQRYNASQZIVOT-VXGBXAGGSA-N 1 3 321.412 2.543 20 0 DFADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423440753 296417085 /nfs/dbraw/zinc/41/70/85/296417085.db2.gz VZSKEQDZHWDKGM-TXCZRRACSA-N 1 3 308.853 2.536 20 0 DFADHO COc1ccc([C@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(OC)c1 ZINC000423446171 296417171 /nfs/dbraw/zinc/41/71/71/296417171.db2.gz SPFSVIPPBIGJPO-AFAVFJNCSA-N 1 3 304.434 2.743 20 0 DFADHO COc1cc(F)c([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000423536971 296427799 /nfs/dbraw/zinc/42/77/99/296427799.db2.gz BJZOSTTUSRZJMV-RFQIPJPRSA-N 1 3 322.424 2.882 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H](CN2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000120800785 195240521 /nfs/dbraw/zinc/24/05/21/195240521.db2.gz UIOLLRAPUQZPBS-QRQLOZEOSA-N 1 3 301.478 2.896 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H](CN2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000120800785 195240523 /nfs/dbraw/zinc/24/05/23/195240523.db2.gz UIOLLRAPUQZPBS-QRQLOZEOSA-N 1 3 301.478 2.896 20 0 DFADHO C[C@H]([NH2+]CC1CCN(CCO)CC1)c1cc2ccccc2o1 ZINC000151878000 196740635 /nfs/dbraw/zinc/74/06/35/196740635.db2.gz ZEFXIIMXQBOZFV-AWEZNQCLSA-N 1 3 302.418 2.788 20 0 DFADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289486874 221012744 /nfs/dbraw/zinc/01/27/44/221012744.db2.gz YOHSEAMOXSNWAF-FHLIZLRMSA-N 1 3 323.431 2.784 20 0 DFADHO C[C@@H](CN(C)CC[N@H+](C)C1CCN(C)CC1)c1ccc(F)cc1 ZINC000289560257 221068583 /nfs/dbraw/zinc/06/85/83/221068583.db2.gz YNSFCETWCOMCTK-INIZCTEOSA-N 1 3 321.484 2.887 20 0 DFADHO C[C@@H](CN(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccc(F)cc1 ZINC000289560257 221068587 /nfs/dbraw/zinc/06/85/87/221068587.db2.gz YNSFCETWCOMCTK-INIZCTEOSA-N 1 3 321.484 2.887 20 0 DFADHO c1n[nH]cc1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000289650004 221129009 /nfs/dbraw/zinc/12/90/09/221129009.db2.gz GEDHBVFKXTWFHJ-SLFFLAALSA-N 1 3 324.472 2.843 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@@H](C)C1 ZINC000289688271 221155239 /nfs/dbraw/zinc/15/52/39/221155239.db2.gz IAXVINYEOAETPM-MAUKXSAKSA-N 1 3 316.493 2.810 20 0 DFADHO Cc1cc2c(cc1C)[C@H]([NH2+]CC1(N)CCOCC1)CCS2 ZINC000629520392 399634282 /nfs/dbraw/zinc/63/42/82/399634282.db2.gz KXTCAUHVDIRSGK-OAHLLOKOSA-N 1 3 306.475 2.938 20 0 DFADHO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000624309794 399634752 /nfs/dbraw/zinc/63/47/52/399634752.db2.gz XXLXKVCHNFUEKO-RLFYNMQTSA-N 1 3 306.450 2.703 20 0 DFADHO C[NH+](C)Cc1ccc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC000289873045 221283986 /nfs/dbraw/zinc/28/39/86/221283986.db2.gz QXNZUOHSLOMVDH-SFHVURJKSA-N 1 3 321.440 2.899 20 0 DFADHO CC(C)COc1ccc([C@@H](C)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629524157 399635467 /nfs/dbraw/zinc/63/54/67/399635467.db2.gz MOYSFVJPLLEKRQ-OAHLLOKOSA-N 1 3 306.450 2.880 20 0 DFADHO Cc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc(N2CCCC2)n1 ZINC000289913246 221311510 /nfs/dbraw/zinc/31/15/10/221311510.db2.gz ULWOUUMEPICEKU-QILLFSRXSA-N 1 3 316.493 2.809 20 0 DFADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000289941449 221332011 /nfs/dbraw/zinc/33/20/11/221332011.db2.gz OTVBLUCRFOOYAM-CRAIPNDOSA-N 1 3 315.461 2.999 20 0 DFADHO C[NH2+]CCOCCN[C@H](Cc1ccccc1F)c1ccccc1 ZINC000629530877 399637341 /nfs/dbraw/zinc/63/73/41/399637341.db2.gz UBFAPJPNUOHUQB-LJQANCHMSA-N 1 3 316.420 2.935 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)nc2)C1 ZINC000289951599 221337879 /nfs/dbraw/zinc/33/78/79/221337879.db2.gz WOMCLDNRKBNZGY-RYUDHWBXSA-N 1 3 312.255 2.837 20 0 DFADHO C[C@H](NCCOCCC[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000629534613 399638746 /nfs/dbraw/zinc/63/87/46/399638746.db2.gz AZDZKIWQBBTDRX-NSHDSACASA-N 1 3 306.328 2.601 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(Br)nc1 ZINC000289974207 221353613 /nfs/dbraw/zinc/35/36/13/221353613.db2.gz XNHLZRBUVQGASI-NWDGAFQWSA-N 1 3 324.266 2.979 20 0 DFADHO CC(C)c1ccc2c(c1)[C@@H](NCCOCCC[NH3+])CCCO2 ZINC000629537629 399639992 /nfs/dbraw/zinc/63/99/92/399639992.db2.gz KIDRUBZKXNEKER-KRWDZBQOSA-N 1 3 306.450 2.979 20 0 DFADHO CC(C)c1ccc(C[C@H](C)NC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629574920 399653441 /nfs/dbraw/zinc/65/34/41/399653441.db2.gz LSMWKZKTMNEEDR-QFBILLFUSA-N 1 3 304.478 2.787 20 0 DFADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N(C)CCOCC[NH3+] ZINC000629577935 399653688 /nfs/dbraw/zinc/65/36/88/399653688.db2.gz FWQAUWJWWDFMCD-NSHDSACASA-N 1 3 306.328 2.553 20 0 DFADHO O[C@@H](CNCC1(Cc2ccccc2)CCCC1)C[NH+]1CCCC1 ZINC000629576156 399654197 /nfs/dbraw/zinc/65/41/97/399654197.db2.gz QLTMEXMCCXXPON-IBGZPJMESA-N 1 3 316.489 2.836 20 0 DFADHO O[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000629581982 399655015 /nfs/dbraw/zinc/65/50/15/399655015.db2.gz LJGGGAGSZZZHSQ-IAOVAPTHSA-N 1 3 308.853 2.837 20 0 DFADHO C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000629544556 399642967 /nfs/dbraw/zinc/64/29/67/399642967.db2.gz JHBFZIHPDMLJPT-OUCADQQQSA-N 1 3 311.832 2.645 20 0 DFADHO [NH3+]CCCOCCNCc1ccc(Br)c(Cl)c1 ZINC000629678858 399686845 /nfs/dbraw/zinc/68/68/45/399686845.db2.gz MAEFIOURUJHYBF-UHFFFAOYSA-N 1 3 321.646 2.558 20 0 DFADHO CC[NH+](CC)CCOc1ccc(-c2ncc(CN)s2)cc1 ZINC000629706060 399696230 /nfs/dbraw/zinc/69/62/30/399696230.db2.gz SKSZCSCLUPJSQK-UHFFFAOYSA-N 1 3 305.447 2.989 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000294977688 224354724 /nfs/dbraw/zinc/35/47/24/224354724.db2.gz GGWHNGPRXSXWRJ-RDGPPVDQSA-N 1 3 300.446 2.666 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000294977688 224354727 /nfs/dbraw/zinc/35/47/27/224354727.db2.gz GGWHNGPRXSXWRJ-RDGPPVDQSA-N 1 3 300.446 2.666 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000294977688 224354729 /nfs/dbraw/zinc/35/47/29/224354729.db2.gz GGWHNGPRXSXWRJ-RDGPPVDQSA-N 1 3 300.446 2.666 20 0 DFADHO C[C@H](N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000090115645 542534687 /nfs/dbraw/zinc/53/46/87/542534687.db2.gz NXNNTTXMVRLIMR-RVKKMQEKSA-N 1 3 315.461 2.500 20 0 DFADHO C[C@@H](NCc1cccnc1OCC(F)F)C1CC[NH+](C)CC1 ZINC000090942507 542538547 /nfs/dbraw/zinc/53/85/47/542538547.db2.gz KLYJTQOTRIYDAB-GFCCVEGCSA-N 1 3 313.392 2.545 20 0 DFADHO COC[C@H](N[C@@H](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000091413747 542540861 /nfs/dbraw/zinc/54/08/61/542540861.db2.gz UDDREUAGWCCQHG-SJCJKPOMSA-N 1 3 312.404 2.972 20 0 DFADHO C[C@H]1SCCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000093499756 542553105 /nfs/dbraw/zinc/55/31/05/542553105.db2.gz YBDSGEBEDZPTTD-HUUCEWRRSA-N 1 3 308.491 2.953 20 0 DFADHO C[C@@H]1SCCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000093499749 542554214 /nfs/dbraw/zinc/55/42/14/542554214.db2.gz YBDSGEBEDZPTTD-GJZGRUSLSA-N 1 3 308.491 2.953 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000617504793 399720197 /nfs/dbraw/zinc/72/01/97/399720197.db2.gz KMFQIPWMYOBVNS-YESZJQIVSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000617504793 399720203 /nfs/dbraw/zinc/72/02/03/399720203.db2.gz KMFQIPWMYOBVNS-YESZJQIVSA-N 1 3 311.514 2.591 20 0 DFADHO CC[C@H]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507484 399720714 /nfs/dbraw/zinc/72/07/14/399720714.db2.gz YNZFEWHLHHCDII-YESZJQIVSA-N 1 3 311.514 2.591 20 0 DFADHO CC[C@H]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507484 399720716 /nfs/dbraw/zinc/72/07/16/399720716.db2.gz YNZFEWHLHHCDII-YESZJQIVSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1CCC(C)(C)CC1 ZINC000617506235 399720977 /nfs/dbraw/zinc/72/09/77/399720977.db2.gz GOAMIRIAKSAXOS-HNNXBMFYSA-N 1 3 311.514 2.591 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1CCC(C)(C)CC1 ZINC000617506235 399720982 /nfs/dbraw/zinc/72/09/82/399720982.db2.gz GOAMIRIAKSAXOS-HNNXBMFYSA-N 1 3 311.514 2.591 20 0 DFADHO CC(C)CN(C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000423763909 296444957 /nfs/dbraw/zinc/44/49/57/296444957.db2.gz SCHFNRKHFQRMNC-IAGOWNOFSA-N 1 3 323.525 2.591 20 0 DFADHO CCCOc1cc(C[N@H+](C)C[C@H]2CCN(C)C2)ccc1OC ZINC000121020514 195281828 /nfs/dbraw/zinc/28/18/28/195281828.db2.gz FKGUYYQKJAFBAD-INIZCTEOSA-N 1 3 306.450 2.868 20 0 DFADHO CCCOc1cc(C[N@@H+](C)C[C@H]2CCN(C)C2)ccc1OC ZINC000121020514 195281832 /nfs/dbraw/zinc/28/18/32/195281832.db2.gz FKGUYYQKJAFBAD-INIZCTEOSA-N 1 3 306.450 2.868 20 0 DFADHO CN(C)C(C)(C)C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000121717240 195333889 /nfs/dbraw/zinc/33/38/89/195333889.db2.gz LJUOUMAPTUGRRU-UHFFFAOYSA-N 1 3 303.494 2.623 20 0 DFADHO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](N)Cc2ccccc2)c1 ZINC000423785463 296447450 /nfs/dbraw/zinc/44/74/50/296447450.db2.gz ODVJKUXRXIEKBI-GOSISDBHSA-N 1 3 311.429 2.565 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)c2ccccc2)C1 ZINC000348161881 285390407 /nfs/dbraw/zinc/39/04/07/285390407.db2.gz APGKBIWEIGGFPF-SFHVURJKSA-N 1 3 318.461 2.692 20 0 DFADHO CCCN1CCC([NH2+]Cc2ccccc2Cn2cccn2)CC1 ZINC000120886194 542580745 /nfs/dbraw/zinc/58/07/45/542580745.db2.gz HICUZNMMAFTVMI-UHFFFAOYSA-N 1 3 312.461 2.895 20 0 DFADHO C[C@@H](CCO)CC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000297461266 533623126 /nfs/dbraw/zinc/62/31/26/533623126.db2.gz XVYDDCRVEWRYIW-HZPDHXFCSA-N 1 3 308.466 2.686 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H]1CSCCc2ccccc21 ZINC000348254123 285452219 /nfs/dbraw/zinc/45/22/19/285452219.db2.gz MNFCZMLDHCQTFA-SFHVURJKSA-N 1 3 322.518 2.965 20 0 DFADHO Fc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CC2 ZINC000132998626 542644955 /nfs/dbraw/zinc/64/49/55/542644955.db2.gz KMTSRQKNBHXAOL-IFXJQAMLSA-N 1 3 318.436 2.904 20 0 DFADHO CCC[C@@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000168662119 542754181 /nfs/dbraw/zinc/75/41/81/542754181.db2.gz ILQWOMWFCIDBRR-DOTOQJQBSA-N 1 3 317.477 2.894 20 0 DFADHO CCC[C@@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000168662314 542754427 /nfs/dbraw/zinc/75/44/27/542754427.db2.gz ILQWOMWFCIDBRR-NVXWUHKLSA-N 1 3 317.477 2.894 20 0 DFADHO COc1cccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1F ZINC000192674791 542853746 /nfs/dbraw/zinc/85/37/46/542853746.db2.gz HYTRHRRCPQDOCQ-HUUCEWRRSA-N 1 3 324.440 2.813 20 0 DFADHO Cc1ccc([C@H](CNC(=O)CC2([NH3+])CCC2)N2CCCC2)cc1 ZINC000237915927 542908039 /nfs/dbraw/zinc/90/80/39/542908039.db2.gz QTFWMCVXTHUTSM-KRWDZBQOSA-N 1 3 315.461 2.520 20 0 DFADHO CC1CCN([C@H](CNC(=O)CC(C)(C)[NH3+])c2ccccc2)CC1 ZINC000236726244 542897116 /nfs/dbraw/zinc/89/71/16/542897116.db2.gz MSPYGMDWCIAJTJ-QGZVFWFLSA-N 1 3 317.477 2.703 20 0 DFADHO Cc1ccc([C@@H](CNC(=O)C2([NH3+])CCCC2)N2CCCC2)cc1 ZINC000237876465 542907059 /nfs/dbraw/zinc/90/70/59/542907059.db2.gz IPEHYGSBBKLIRA-QGZVFWFLSA-N 1 3 315.461 2.520 20 0 DFADHO CC[C@@H]1CN(CCC(=O)Nc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000251889406 542946786 /nfs/dbraw/zinc/94/67/86/542946786.db2.gz VVZJIJSEHUDKRY-TZMCWYRMSA-N 1 3 309.841 2.728 20 0 DFADHO COc1cc(OC)c(OC)cc1CNCC1(C)CC[NH+](C)CC1 ZINC000272494622 542967836 /nfs/dbraw/zinc/96/78/36/542967836.db2.gz FXMNDTOQNCGAAG-UHFFFAOYSA-N 1 3 322.449 2.534 20 0 DFADHO COC1CC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000309888650 543067061 /nfs/dbraw/zinc/06/70/61/543067061.db2.gz CTKWEANBLXCBBF-TXQZXFLYSA-N 1 3 300.446 2.664 20 0 DFADHO C[C@H](CCc1ccccc1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388513 399844015 /nfs/dbraw/zinc/84/40/15/399844015.db2.gz HYEHFSULIOJPIM-QUCCMNQESA-N 1 3 315.505 2.720 20 0 DFADHO C[C@H](CCc1ccccc1)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388513 399844017 /nfs/dbraw/zinc/84/40/17/399844017.db2.gz HYEHFSULIOJPIM-QUCCMNQESA-N 1 3 315.505 2.720 20 0 DFADHO C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1(N2CCSCC2)CCCC1 ZINC000339076605 543140078 /nfs/dbraw/zinc/14/00/78/543140078.db2.gz VAOXKUCJLTZXDL-SJORKVTESA-N 1 3 323.550 2.564 20 0 DFADHO C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1(N2CCSCC2)CCCC1 ZINC000339076605 543140081 /nfs/dbraw/zinc/14/00/81/543140081.db2.gz VAOXKUCJLTZXDL-SJORKVTESA-N 1 3 323.550 2.564 20 0 DFADHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348103438 543183324 /nfs/dbraw/zinc/18/33/24/543183324.db2.gz BUPZXPQDHVYTHO-UXHICEINSA-N 1 3 314.473 2.922 20 0 DFADHO COC1(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CCCCC1 ZINC000361544069 292112420 /nfs/dbraw/zinc/11/24/20/292112420.db2.gz RQKUXVVVPOCWID-YESZJQIVSA-N 1 3 310.482 2.519 20 0 DFADHO COC1(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CCCCC1 ZINC000361544063 292112294 /nfs/dbraw/zinc/11/22/94/292112294.db2.gz RQKUXVVVPOCWID-BRWVUGGUSA-N 1 3 310.482 2.519 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000354408102 543243404 /nfs/dbraw/zinc/24/34/04/543243404.db2.gz LHNIEBSMFPNMDZ-IYXRBSQSSA-N 1 3 322.415 2.790 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@](C)(CO)Cc2ccccc2)[C@@H](C)C1 ZINC000358057147 543265486 /nfs/dbraw/zinc/26/54/86/543265486.db2.gz PFGZRODBBOXSJG-YTQUADARSA-N 1 3 304.478 2.548 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@](C)(CO)Cc2ccccc2)[C@@H](C)C1 ZINC000358057147 543265488 /nfs/dbraw/zinc/26/54/88/543265488.db2.gz PFGZRODBBOXSJG-YTQUADARSA-N 1 3 304.478 2.548 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000411310109 543316845 /nfs/dbraw/zinc/31/68/45/543316845.db2.gz TUZLURCSAPJHPC-IPMKNSEASA-N 1 3 302.462 2.975 20 0 DFADHO CC(C)[C@H](O)CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000165358587 145229162 /nfs/dbraw/zinc/22/91/62/145229162.db2.gz YONPGNAWZPVPAT-MAUKXSAKSA-N 1 3 308.466 2.685 20 0 DFADHO CCOc1cc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)ccc1OC ZINC000168811778 145244243 /nfs/dbraw/zinc/24/42/43/145244243.db2.gz FGICBCFJOOMQPK-DZKIICNBSA-N 1 3 306.450 2.912 20 0 DFADHO C[C@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](N)c1ccccc1 ZINC000168987032 145246500 /nfs/dbraw/zinc/24/65/00/145246500.db2.gz WUHITGGJTBJISI-XIRDDKMYSA-N 1 3 319.493 2.805 20 0 DFADHO C[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000175004249 145396536 /nfs/dbraw/zinc/39/65/36/145396536.db2.gz UHRBKIQXRTXHQJ-OAGGEKHMSA-N 1 3 321.509 2.771 20 0 DFADHO O=c1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC000631112821 399982848 /nfs/dbraw/zinc/98/28/48/399982848.db2.gz XZWDQJSGBHFGNS-GBESFXJTSA-N 1 3 323.440 2.787 20 0 DFADHO O=c1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC000631112821 399982850 /nfs/dbraw/zinc/98/28/50/399982850.db2.gz XZWDQJSGBHFGNS-GBESFXJTSA-N 1 3 323.440 2.787 20 0 DFADHO O=c1ccc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC000631112821 399982852 /nfs/dbraw/zinc/98/28/52/399982852.db2.gz XZWDQJSGBHFGNS-GBESFXJTSA-N 1 3 323.440 2.787 20 0 DFADHO O[C@@H](C[NH2+]Cc1ccc(F)c2ccccc12)CN1CCCC1 ZINC000631049680 399969227 /nfs/dbraw/zinc/96/92/27/399969227.db2.gz KBIIIKBAWGUUIM-HNNXBMFYSA-N 1 3 302.393 2.525 20 0 DFADHO O[C@H](C[NH2+]Cc1ccc(F)c2ccccc12)CN1CCCC1 ZINC000631049681 399969248 /nfs/dbraw/zinc/96/92/48/399969248.db2.gz KBIIIKBAWGUUIM-OAHLLOKOSA-N 1 3 302.393 2.525 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000628544330 400039309 /nfs/dbraw/zinc/03/93/09/400039309.db2.gz DLXBOLRBHRAUMO-GOEBONIOSA-N 1 3 309.498 2.676 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C1CC(F)(F)C1 ZINC000628337277 400022443 /nfs/dbraw/zinc/02/24/43/400022443.db2.gz ATDISPLRWPCRPV-CXAGYDPISA-N 1 3 324.415 2.777 20 0 DFADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000631698843 400068198 /nfs/dbraw/zinc/06/81/98/400068198.db2.gz BOMYWLKALCBCPT-ADAWSYLGSA-N 1 3 306.450 2.844 20 0 DFADHO C[C@@H]1CN(Cc2cccc(OCc3ccccn3)c2)C[C@H]1C[NH3+] ZINC000631837001 400078673 /nfs/dbraw/zinc/07/86/73/400078673.db2.gz LJJUBDRVXBBWDO-NVXWUHKLSA-N 1 3 311.429 2.687 20 0 DFADHO CC(C)C[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236704003 146024687 /nfs/dbraw/zinc/02/46/87/146024687.db2.gz YVUOIPAYTMWFPV-SFHVURJKSA-N 1 3 317.477 2.662 20 0 DFADHO C[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)N1[C@H](C)CC[C@@H]1C ZINC000245201348 146063152 /nfs/dbraw/zinc/06/31/52/146063152.db2.gz HOSVSTHAZHXAHR-OWCLPIDISA-N 1 3 317.477 2.626 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000245566411 146084470 /nfs/dbraw/zinc/08/44/70/146084470.db2.gz SOBHSGHIFPYWDN-CEXWTWQISA-N 1 3 305.510 2.833 20 0 DFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000245566411 146084472 /nfs/dbraw/zinc/08/44/72/146084472.db2.gz SOBHSGHIFPYWDN-CEXWTWQISA-N 1 3 305.510 2.833 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000247137849 146163137 /nfs/dbraw/zinc/16/31/37/146163137.db2.gz QSQMYZLTHZCUTA-OIPACUDHSA-N 1 3 306.450 2.781 20 0 DFADHO COc1cccc(O[C@H](C)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000247137849 146163141 /nfs/dbraw/zinc/16/31/41/146163141.db2.gz QSQMYZLTHZCUTA-OIPACUDHSA-N 1 3 306.450 2.781 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CN1Cc1ccccc1 ZINC000249031024 146182801 /nfs/dbraw/zinc/18/28/01/146182801.db2.gz RCRABHYFWIYBCA-MFPFXBIISA-N 1 3 313.489 2.864 20 0 DFADHO C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000249031024 146182803 /nfs/dbraw/zinc/18/28/03/146182803.db2.gz RCRABHYFWIYBCA-MFPFXBIISA-N 1 3 313.489 2.864 20 0 DFADHO C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000249031024 146182805 /nfs/dbraw/zinc/18/28/05/146182805.db2.gz RCRABHYFWIYBCA-MFPFXBIISA-N 1 3 313.489 2.864 20 0 DFADHO C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)N1[C@H](C)CC[C@H]1C ZINC000249749650 146205376 /nfs/dbraw/zinc/20/53/76/146205376.db2.gz QBPHECZQDSFGSZ-VQHPVUNQSA-N 1 3 309.498 2.628 20 0 DFADHO C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)N1[C@H](C)CC[C@H]1C ZINC000249749650 146205373 /nfs/dbraw/zinc/20/53/73/146205373.db2.gz QBPHECZQDSFGSZ-VQHPVUNQSA-N 1 3 309.498 2.628 20 0 DFADHO CC1CC[NH+](CCN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000252692339 146222079 /nfs/dbraw/zinc/22/20/79/146222079.db2.gz BFLLMVVMAHLTGP-HKUYNNGSSA-N 1 3 305.510 2.667 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H](C)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695977 146222660 /nfs/dbraw/zinc/22/26/60/146222660.db2.gz AZXZTMMQXRTYOE-SCTDSRPQSA-N 1 3 303.494 2.827 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695977 146222663 /nfs/dbraw/zinc/22/26/63/146222663.db2.gz AZXZTMMQXRTYOE-SCTDSRPQSA-N 1 3 303.494 2.827 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@@H](C)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695977 146222665 /nfs/dbraw/zinc/22/26/65/146222665.db2.gz AZXZTMMQXRTYOE-SCTDSRPQSA-N 1 3 303.494 2.827 20 0 DFADHO Cc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000261656341 146255528 /nfs/dbraw/zinc/25/55/28/146255528.db2.gz BITWOPBOXHSSNH-JQHSSLGASA-N 1 3 310.445 2.565 20 0 DFADHO CCN(Cc1ccc(-c2nc(C[C@@H](C)[NH2+]C)no2)cc1)C1CC1 ZINC000261701880 146262136 /nfs/dbraw/zinc/26/21/36/146262136.db2.gz IENKJALTSZHXTM-CYBMUJFWSA-N 1 3 314.433 2.871 20 0 DFADHO CCC[N@H+](CCOc1ccc(OCC)cc1)C1CCNCC1 ZINC000261794147 146277079 /nfs/dbraw/zinc/27/70/79/146277079.db2.gz YCSCJUXAPUFDSU-UHFFFAOYSA-N 1 3 306.450 2.928 20 0 DFADHO CCC[N@@H+](CCOc1ccc(OCC)cc1)C1CCNCC1 ZINC000261794147 146277082 /nfs/dbraw/zinc/27/70/82/146277082.db2.gz YCSCJUXAPUFDSU-UHFFFAOYSA-N 1 3 306.450 2.928 20 0 DFADHO CCCN(CCOc1ccc(OCC)cc1)C1CC[NH2+]CC1 ZINC000261794147 146277085 /nfs/dbraw/zinc/27/70/85/146277085.db2.gz YCSCJUXAPUFDSU-UHFFFAOYSA-N 1 3 306.450 2.928 20 0 DFADHO C[NH2+]CC1CCN(Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000261819185 146283529 /nfs/dbraw/zinc/28/35/29/146283529.db2.gz IFELVKXJIHXSPN-UHFFFAOYSA-N 1 3 304.463 2.580 20 0 DFADHO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000261907582 146299097 /nfs/dbraw/zinc/29/90/97/146299097.db2.gz HEWGKWQTURGZSW-RDJZCZTQSA-N 1 3 317.477 2.703 20 0 DFADHO c1nn(Cc2ccccc2)cc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000261918712 146301905 /nfs/dbraw/zinc/30/19/05/146301905.db2.gz BJSFSLBDKMYXCE-UHFFFAOYSA-N 1 3 310.445 2.507 20 0 DFADHO Cc1cccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c1C ZINC000261949540 146309159 /nfs/dbraw/zinc/30/91/59/146309159.db2.gz MSCQTCADJDIOSD-GOSISDBHSA-N 1 3 301.478 2.815 20 0 DFADHO Cc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000261981116 146315173 /nfs/dbraw/zinc/31/51/73/146315173.db2.gz RIUCLQVAXSDWOA-IPELMVKDSA-N 1 3 324.472 2.955 20 0 DFADHO Cc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2ccnn2C)c1 ZINC000261981123 146315887 /nfs/dbraw/zinc/31/58/87/146315887.db2.gz RIUCLQVAXSDWOA-ZYSHUDEJSA-N 1 3 324.472 2.955 20 0 DFADHO COc1cc(CN2CCC([C@H](C)[NH3+])CC2)ccc1OC(F)F ZINC000262033136 146324462 /nfs/dbraw/zinc/32/44/62/146324462.db2.gz ZASGNTRXGSMBGV-NSHDSACASA-N 1 3 314.376 2.856 20 0 DFADHO Cc1ccc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000262052678 146326987 /nfs/dbraw/zinc/32/69/87/146326987.db2.gz ZTXLJFSFASGOTE-JKSUJKDBSA-N 1 3 312.461 2.955 20 0 DFADHO CCN(CC)c1ncc(CN2CCC3(C2)CC[NH2+]CC3)s1 ZINC000262070120 146329440 /nfs/dbraw/zinc/32/94/40/146329440.db2.gz SAKSHRYWXDBOCF-UHFFFAOYSA-N 1 3 308.495 2.565 20 0 DFADHO CCOc1ccc(OCCN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262111135 146334304 /nfs/dbraw/zinc/33/43/04/146334304.db2.gz JUOYKGRNPJGUPN-BMGDILEWSA-N 1 3 304.434 2.523 20 0 DFADHO CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000262703048 146382617 /nfs/dbraw/zinc/38/26/17/146382617.db2.gz KAMRAWQFXWLZSZ-PBHICJAKSA-N 1 3 323.506 2.594 20 0 DFADHO C[C@@H]1CCCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000354846896 147174337 /nfs/dbraw/zinc/17/43/37/147174337.db2.gz DOTZSINIVZNSEG-AEFFLSMTSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@@H]1CCCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000354846896 147174340 /nfs/dbraw/zinc/17/43/40/147174340.db2.gz DOTZSINIVZNSEG-AEFFLSMTSA-N 1 3 317.477 2.670 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000354928572 147198797 /nfs/dbraw/zinc/19/87/97/147198797.db2.gz GLBXEKYLVWGJED-VVLHAWIVSA-N 1 3 309.498 2.628 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000354928572 147198799 /nfs/dbraw/zinc/19/87/99/147198799.db2.gz GLBXEKYLVWGJED-VVLHAWIVSA-N 1 3 309.498 2.628 20 0 DFADHO COc1cc2c(cc1OC)[C@H](NC[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000526041101 543429241 /nfs/dbraw/zinc/42/92/41/543429241.db2.gz GNILGZSOPTZGFG-XJKSGUPXSA-N 1 3 304.434 2.623 20 0 DFADHO COc1cc2c(cc1OC)[C@H](NC[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000526041101 543429243 /nfs/dbraw/zinc/42/92/43/543429243.db2.gz GNILGZSOPTZGFG-XJKSGUPXSA-N 1 3 304.434 2.623 20 0 DFADHO C[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)N1CCCCCC1 ZINC000357720938 148096217 /nfs/dbraw/zinc/09/62/17/148096217.db2.gz HVYTYMIQOZIXFA-MRXNPFEDSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N1CCCCCC1 ZINC000357807252 148130559 /nfs/dbraw/zinc/13/05/59/148130559.db2.gz BVGYQPUGFDANGG-KURKYZTESA-N 1 3 323.525 2.735 20 0 DFADHO CC[NH+](CC)CC1CCN(Cc2ccc(C(=O)NC)cc2)CC1 ZINC000350184685 286017156 /nfs/dbraw/zinc/01/71/56/286017156.db2.gz PUJGKRPFBUMNQF-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1CCOC1 ZINC000357850366 148149277 /nfs/dbraw/zinc/14/92/77/148149277.db2.gz LMZZHPBVCZOQFP-WMZOPIPTSA-N 1 3 303.450 2.703 20 0 DFADHO CCC[C@H](C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C)N(C)C ZINC000357853613 148150466 /nfs/dbraw/zinc/15/04/66/148150466.db2.gz CBYABDOPSWIPTI-JQHSSLGASA-N 1 3 319.493 2.833 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(CCOc2ccc(F)cc2)C1 ZINC000350200925 286018603 /nfs/dbraw/zinc/01/86/03/286018603.db2.gz CVTHLWYGFZSSSZ-SFHVURJKSA-N 1 3 324.440 2.637 20 0 DFADHO C[NH+](C)CC1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000350222424 286019830 /nfs/dbraw/zinc/01/98/30/286019830.db2.gz PVGVPEFFUUKDOL-UHFFFAOYSA-N 1 3 316.474 2.979 20 0 DFADHO CCO[C@H](CCNCc1cc(C2CC[NH2+]CC2)no1)C(C)C ZINC000425903867 296603868 /nfs/dbraw/zinc/60/38/68/296603868.db2.gz WYFPKRXGXNZSHR-QGZVFWFLSA-N 1 3 309.454 2.682 20 0 DFADHO CC1=CCN(CCNC(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000358135956 148255607 /nfs/dbraw/zinc/25/56/07/148255607.db2.gz KWQNDSQQXROXQB-UHFFFAOYSA-N 1 3 316.449 2.522 20 0 DFADHO COc1cccc(OCCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358145619 148260261 /nfs/dbraw/zinc/26/02/61/148260261.db2.gz AGINILBBJFPZSS-HOTGVXAUSA-N 1 3 304.434 2.681 20 0 DFADHO COc1cccc(OCCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358145619 148260266 /nfs/dbraw/zinc/26/02/66/148260266.db2.gz AGINILBBJFPZSS-HOTGVXAUSA-N 1 3 304.434 2.681 20 0 DFADHO Cc1n[nH]c(C)c1C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000350267920 286023002 /nfs/dbraw/zinc/02/30/02/286023002.db2.gz PDSQYIATNBXXCU-UHFFFAOYSA-N 1 3 313.449 2.770 20 0 DFADHO Cc1n[nH]c(C)c1C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000350267920 286023003 /nfs/dbraw/zinc/02/30/03/286023003.db2.gz PDSQYIATNBXXCU-UHFFFAOYSA-N 1 3 313.449 2.770 20 0 DFADHO CC(C)(C)[NH+]1CCC(NCCc2cnc(C3CC3)nc2)CC1 ZINC000358222398 148291337 /nfs/dbraw/zinc/29/13/37/148291337.db2.gz INSWMSUZYXAJQX-UHFFFAOYSA-N 1 3 302.466 2.749 20 0 DFADHO CC(C)(C)N1CCC([NH2+]CCc2cnc(C3CC3)nc2)CC1 ZINC000358222398 148291340 /nfs/dbraw/zinc/29/13/40/148291340.db2.gz INSWMSUZYXAJQX-UHFFFAOYSA-N 1 3 302.466 2.749 20 0 DFADHO Cc1cnc(CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000358363211 148342941 /nfs/dbraw/zinc/34/29/41/148342941.db2.gz GKJCZWDYBHJGAK-HKUYNNGSSA-N 1 3 324.472 2.970 20 0 DFADHO Cc1cnc(CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000358363211 148342944 /nfs/dbraw/zinc/34/29/44/148342944.db2.gz GKJCZWDYBHJGAK-HKUYNNGSSA-N 1 3 324.472 2.970 20 0 DFADHO Cc1n[nH]cc1CN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350556397 286057960 /nfs/dbraw/zinc/05/79/60/286057960.db2.gz LXKNRFXLHOEYIU-MJGOQNOKSA-N 1 3 312.461 2.890 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000360109840 148817875 /nfs/dbraw/zinc/81/78/75/148817875.db2.gz JLYFNIXFEDOXMG-HUUCEWRRSA-N 1 3 303.450 2.602 20 0 DFADHO Fc1ccccc1N1CC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000361009705 149007565 /nfs/dbraw/zinc/00/75/65/149007565.db2.gz MHEQKKFHDQGOLT-BRWVUGGUSA-N 1 3 317.452 2.868 20 0 DFADHO Fc1ccccc1N1CC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000361009705 149007568 /nfs/dbraw/zinc/00/75/68/149007568.db2.gz MHEQKKFHDQGOLT-BRWVUGGUSA-N 1 3 317.452 2.868 20 0 DFADHO Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000361009705 149007571 /nfs/dbraw/zinc/00/75/71/149007571.db2.gz MHEQKKFHDQGOLT-BRWVUGGUSA-N 1 3 317.452 2.868 20 0 DFADHO C[C@H]1CN(CCCc2ccsc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000361096648 149027469 /nfs/dbraw/zinc/02/74/69/149027469.db2.gz MHNKWSDSZBXPBZ-WMZOPIPTSA-N 1 3 321.534 2.639 20 0 DFADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Cl)s1 ZINC000361889454 149248273 /nfs/dbraw/zinc/24/82/73/149248273.db2.gz PZKPFHVLTLVLQX-NSHDSACASA-N 1 3 302.871 2.899 20 0 DFADHO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)s1 ZINC000362703052 149346351 /nfs/dbraw/zinc/34/63/51/149346351.db2.gz PEKNECFFUDHLNB-RDTXWAMCSA-N 1 3 321.534 2.823 20 0 DFADHO Cc1cc(C)n(-c2ccc(CN3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc2)n1 ZINC000351479512 286130582 /nfs/dbraw/zinc/13/05/82/286130582.db2.gz RIZIOUGDKFODCM-WDSOQIARSA-N 1 3 310.445 2.658 20 0 DFADHO O[C@@]1(Cc2cccc(Cl)c2)CC[N@H+](CCCN2CCCC2)C1 ZINC000371334011 150025914 /nfs/dbraw/zinc/02/59/14/150025914.db2.gz CVSFOHUJYCPXOJ-GOSISDBHSA-N 1 3 322.880 2.805 20 0 DFADHO O[C@@]1(Cc2cccc(Cl)c2)CC[N@@H+](CCCN2CCCC2)C1 ZINC000371334011 150025916 /nfs/dbraw/zinc/02/59/16/150025916.db2.gz CVSFOHUJYCPXOJ-GOSISDBHSA-N 1 3 322.880 2.805 20 0 DFADHO CN1CC[C@@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1cccs1 ZINC000372098241 150137091 /nfs/dbraw/zinc/13/70/91/150137091.db2.gz HXPZTXPAAJOXBR-YOEHRIQHSA-N 1 3 323.506 2.766 20 0 DFADHO CC(C)[NH+]1CCC(NC2CC(O)(Cc3cccc(F)c3)C2)CC1 ZINC000372420646 150170295 /nfs/dbraw/zinc/17/02/95/150170295.db2.gz IGHQJOCZYUFQJT-UHFFFAOYSA-N 1 3 320.452 2.724 20 0 DFADHO Cc1cccc(C[C@H](CO)[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000372762353 150182096 /nfs/dbraw/zinc/18/20/96/150182096.db2.gz FWYGLCWXXOEQTA-LJQANCHMSA-N 1 3 316.489 2.895 20 0 DFADHO c1cc(CO[C@H]2CC[N@@H+](CCCN3CCCCC3)C2)ccn1 ZINC000373912585 150277594 /nfs/dbraw/zinc/27/75/94/150277594.db2.gz ORZCUZWDVVGRCG-SFHVURJKSA-N 1 3 303.450 2.549 20 0 DFADHO c1cc(CO[C@H]2CC[N@H+](CCCN3CCCCC3)C2)ccn1 ZINC000373912585 150277598 /nfs/dbraw/zinc/27/75/98/150277598.db2.gz ORZCUZWDVVGRCG-SFHVURJKSA-N 1 3 303.450 2.549 20 0 DFADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000374294138 150338433 /nfs/dbraw/zinc/33/84/33/150338433.db2.gz JMFCUAAFWFWSGZ-GOSISDBHSA-N 1 3 318.461 2.676 20 0 DFADHO Cc1ccc(C)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000374431187 150365808 /nfs/dbraw/zinc/36/58/08/150365808.db2.gz WKVUNZDEUYDTTR-CEXWTWQISA-N 1 3 302.462 2.987 20 0 DFADHO CCOC(=O)C1(C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000351914770 286243302 /nfs/dbraw/zinc/24/33/02/286243302.db2.gz DRENRJIZLAOZMJ-WBVHZDCISA-N 1 3 322.493 2.962 20 0 DFADHO CCOC(=O)C1(CNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000351916150 286243462 /nfs/dbraw/zinc/24/34/62/286243462.db2.gz XATGHHMSLVYSMM-UHFFFAOYSA-N 1 3 308.466 2.716 20 0 DFADHO CCOC(=O)C1(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000351916150 286243465 /nfs/dbraw/zinc/24/34/65/286243465.db2.gz XATGHHMSLVYSMM-UHFFFAOYSA-N 1 3 308.466 2.716 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000352023001 286272059 /nfs/dbraw/zinc/27/20/59/286272059.db2.gz STLWEWLKXRWCCC-PKOBYXMFSA-N 1 3 300.446 2.992 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000352023001 286272060 /nfs/dbraw/zinc/27/20/60/286272060.db2.gz STLWEWLKXRWCCC-PKOBYXMFSA-N 1 3 300.446 2.992 20 0 DFADHO CCOC(=O)C(C)(C)C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000352187764 286314975 /nfs/dbraw/zinc/31/49/75/286314975.db2.gz UOYNQDDLLJREET-MRXNPFEDSA-N 1 3 310.482 2.772 20 0 DFADHO CCOC(=O)C(C)(C)C1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000352187764 286314978 /nfs/dbraw/zinc/31/49/78/286314978.db2.gz UOYNQDDLLJREET-MRXNPFEDSA-N 1 3 310.482 2.772 20 0 DFADHO CCOC(=O)C(C)(C)C1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000352187764 286314982 /nfs/dbraw/zinc/31/49/82/286314982.db2.gz UOYNQDDLLJREET-MRXNPFEDSA-N 1 3 310.482 2.772 20 0 DFADHO CCOC(=O)C(C)(C)C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000352187763 286315067 /nfs/dbraw/zinc/31/50/67/286315067.db2.gz UOYNQDDLLJREET-INIZCTEOSA-N 1 3 310.482 2.772 20 0 DFADHO CCOC(=O)C(C)(C)C1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000352187763 286315068 /nfs/dbraw/zinc/31/50/68/286315068.db2.gz UOYNQDDLLJREET-INIZCTEOSA-N 1 3 310.482 2.772 20 0 DFADHO CCOC(=O)C(C)(C)C1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000352187763 286315070 /nfs/dbraw/zinc/31/50/70/286315070.db2.gz UOYNQDDLLJREET-INIZCTEOSA-N 1 3 310.482 2.772 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C12CCOCC2 ZINC000186211944 286382449 /nfs/dbraw/zinc/38/24/49/286382449.db2.gz FWLYRCDMLBQOOU-JKSUJKDBSA-N 1 3 324.509 2.859 20 0 DFADHO CCO[C@@H]1C[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C12CCOCC2 ZINC000186211944 286382451 /nfs/dbraw/zinc/38/24/51/286382451.db2.gz FWLYRCDMLBQOOU-JKSUJKDBSA-N 1 3 324.509 2.859 20 0 DFADHO CN1CCC(O)(C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000352625145 286424146 /nfs/dbraw/zinc/42/41/46/286424146.db2.gz DSSWXKRWOOERKL-UHFFFAOYSA-N 1 3 308.853 2.632 20 0 DFADHO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C1 ZINC000352799468 286471050 /nfs/dbraw/zinc/47/10/50/286471050.db2.gz OHHJUDODSJFOHZ-SZMVWBNQSA-N 1 3 323.525 2.661 20 0 DFADHO CSc1ccc(C[NH2+]C2CCN(CCN(C)C)CC2)s1 ZINC000352821079 286476328 /nfs/dbraw/zinc/47/63/28/286476328.db2.gz FSHNLFYUEWTETC-UHFFFAOYSA-N 1 3 313.536 2.586 20 0 DFADHO NC1(C(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)CCCCC1 ZINC000237885943 158079692 /nfs/dbraw/zinc/07/96/92/158079692.db2.gz PVHAAKOXNCTQMF-MRXNPFEDSA-N 1 3 307.482 2.515 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cncc(C)c2)[C@@H](C)C1 ZINC000246491538 158094259 /nfs/dbraw/zinc/09/42/59/158094259.db2.gz RZPKWAIMSBLXCG-WMZOPIPTSA-N 1 3 305.466 2.617 20 0 DFADHO CCN(CC)[C@@H](C[NH2+][C@H]1CCN(CC)C[C@@H]1C)c1ccco1 ZINC000246936819 158106578 /nfs/dbraw/zinc/10/65/78/158106578.db2.gz HKJAGIGKZUXYTG-ULQDDVLXSA-N 1 3 307.482 2.982 20 0 DFADHO CCN1CC[C@H]([NH2+]CCCN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000248029087 158156367 /nfs/dbraw/zinc/15/63/67/158156367.db2.gz PYTUJFAAPAAOBP-HKUYNNGSSA-N 1 3 303.494 2.828 20 0 DFADHO c1cn(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000248410562 158174056 /nfs/dbraw/zinc/17/40/56/158174056.db2.gz YDMPTQOCRNZBNN-SLFFLAALSA-N 1 3 324.472 2.773 20 0 DFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000248440379 158176395 /nfs/dbraw/zinc/17/63/95/158176395.db2.gz JJWQNOBJTIOSEJ-VQIMIIECSA-N 1 3 300.446 2.699 20 0 DFADHO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248583124 158185875 /nfs/dbraw/zinc/18/58/75/158185875.db2.gz WOBKMHWOVIVDIS-OMQSBVIBSA-N 1 3 314.473 2.790 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@H]1CCCOC1 ZINC000356870819 158317497 /nfs/dbraw/zinc/31/74/97/158317497.db2.gz OMRNPAOXSJWJTQ-WMZOPIPTSA-N 1 3 320.477 2.574 20 0 DFADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@H]3CC[NH2+]C3)CC2)o1 ZINC000357038794 158353513 /nfs/dbraw/zinc/35/35/13/158353513.db2.gz AAVWNLMRSULLPQ-HNNXBMFYSA-N 1 3 314.433 2.800 20 0 DFADHO COc1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc(OC)c1 ZINC000357053723 158357105 /nfs/dbraw/zinc/35/71/05/158357105.db2.gz PUIZYINRHJAQFZ-INIZCTEOSA-N 1 3 304.434 2.525 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@H+](C)C[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000358376798 158372782 /nfs/dbraw/zinc/37/27/82/158372782.db2.gz SULWTAPPARYECR-IJEWVQPXSA-N 1 3 314.433 2.770 20 0 DFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000358376798 158372783 /nfs/dbraw/zinc/37/27/83/158372783.db2.gz SULWTAPPARYECR-IJEWVQPXSA-N 1 3 314.433 2.770 20 0 DFADHO C[C@H]1CN(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000358390152 158376444 /nfs/dbraw/zinc/37/64/44/158376444.db2.gz XOPLJXVGRPLAQN-VNVJMFPYSA-N 1 3 313.489 2.722 20 0 DFADHO C[C@@H](C(=O)N(CCC[NH3+])CC1CCCC1)[C@H](N)c1ccccc1 ZINC000357353238 286743840 /nfs/dbraw/zinc/74/38/40/286743840.db2.gz LILQGWQVGGAZPU-QAPCUYQASA-N 1 3 317.477 2.690 20 0 DFADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000430943425 296813914 /nfs/dbraw/zinc/81/39/14/296813914.db2.gz IBLBBYZCHMCZLR-ISXOHVOVSA-N 1 3 321.509 2.615 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000354409400 287013023 /nfs/dbraw/zinc/01/30/23/287013023.db2.gz SLFLIVVDYIUAQE-MSOLQXFVSA-N 1 3 323.525 2.878 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000354409400 287013027 /nfs/dbraw/zinc/01/30/27/287013027.db2.gz SLFLIVVDYIUAQE-MSOLQXFVSA-N 1 3 323.525 2.878 20 0 DFADHO CO[C@@H]1CCN(C[C@@H](C)C[N@@H+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000441373854 297181698 /nfs/dbraw/zinc/18/16/98/297181698.db2.gz CJOVXANROZFGMP-PECIQYQJSA-N 1 3 312.498 2.621 20 0 DFADHO CO[C@@H]1CCN(C[C@@H](C)C[N@H+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000441373854 297181699 /nfs/dbraw/zinc/18/16/99/297181699.db2.gz CJOVXANROZFGMP-PECIQYQJSA-N 1 3 312.498 2.621 20 0 DFADHO CO[C@@H]1CC[N@@H+](C[C@@H](C)CN2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000441373854 297181702 /nfs/dbraw/zinc/18/17/02/297181702.db2.gz CJOVXANROZFGMP-PECIQYQJSA-N 1 3 312.498 2.621 20 0 DFADHO CO[C@@H]1CC[N@H+](C[C@@H](C)CN2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000441373854 297181704 /nfs/dbraw/zinc/18/17/04/297181704.db2.gz CJOVXANROZFGMP-PECIQYQJSA-N 1 3 312.498 2.621 20 0 DFADHO C[C@@H]1C[C@H](N(C)CCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000131782372 196198763 /nfs/dbraw/zinc/19/87/63/196198763.db2.gz SAPYDSBSJNRROV-IEBWSBKVSA-N 1 3 312.461 2.868 20 0 DFADHO C[C@@H]1C[C@H](N(C)CCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000131782372 196198766 /nfs/dbraw/zinc/19/87/66/196198766.db2.gz SAPYDSBSJNRROV-IEBWSBKVSA-N 1 3 312.461 2.868 20 0 DFADHO C[C@@H]1C[C@H](NCCc2nccn2Cc2ccccc2)CC[N@@H+]1C ZINC000132128650 196228269 /nfs/dbraw/zinc/22/82/69/196228269.db2.gz QTDWSMKAISZXJQ-SJLPKXTDSA-N 1 3 312.461 2.546 20 0 DFADHO C[C@@H]1C[C@H](NCCc2nccn2Cc2ccccc2)CC[N@H+]1C ZINC000132128650 196228271 /nfs/dbraw/zinc/22/82/71/196228271.db2.gz QTDWSMKAISZXJQ-SJLPKXTDSA-N 1 3 312.461 2.546 20 0 DFADHO CCOc1ccccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000271633613 209079490 /nfs/dbraw/zinc/07/94/90/209079490.db2.gz HCGJCRZTZGRJGQ-UHFFFAOYSA-N 1 3 319.493 2.543 20 0 DFADHO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000132995828 196303145 /nfs/dbraw/zinc/30/31/45/196303145.db2.gz BYVBIZKNLWEDHC-FUHWJXTLSA-N 1 3 319.493 2.762 20 0 DFADHO C[C@@H]1CCCC[C@H]1C[N@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000377633475 287306368 /nfs/dbraw/zinc/30/63/68/287306368.db2.gz UVFHYBGRLHPFGT-ZIFCJYIRSA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCCC[C@H]1C[N@@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000377633475 287306373 /nfs/dbraw/zinc/30/63/73/287306373.db2.gz UVFHYBGRLHPFGT-ZIFCJYIRSA-N 1 3 307.526 2.913 20 0 DFADHO C[NH+](C)CCOC1CCN(Cc2cc3ccncc3s2)CC1 ZINC000667617549 543642742 /nfs/dbraw/zinc/64/27/42/543642742.db2.gz VHAMGCMFDOMLKW-UHFFFAOYSA-N 1 3 319.474 2.839 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668172857 543759212 /nfs/dbraw/zinc/75/92/12/543759212.db2.gz VFBGTFINUUTSBP-LZQZEXGQSA-N 1 3 318.461 2.626 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668172857 543759214 /nfs/dbraw/zinc/75/92/14/543759214.db2.gz VFBGTFINUUTSBP-LZQZEXGQSA-N 1 3 318.461 2.626 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)C1 ZINC000668489012 543814001 /nfs/dbraw/zinc/81/40/01/543814001.db2.gz JBPZBOJLFPTPRG-YRXWBPOGSA-N 1 3 300.446 2.531 20 0 DFADHO C[C@H](CCc1ccccc1)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668739177 543858189 /nfs/dbraw/zinc/85/81/89/543858189.db2.gz KAGBDOGDMKPFCP-XLIONFOSSA-N 1 3 316.489 2.786 20 0 DFADHO C[C@H](CCc1ccccc1)CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668739177 543858190 /nfs/dbraw/zinc/85/81/90/543858190.db2.gz KAGBDOGDMKPFCP-XLIONFOSSA-N 1 3 316.489 2.786 20 0 DFADHO Fc1ccc2c(c1)C[C@@H]1[C@@H](NC3CC[NH+](CC4CC4)CC3)[C@H]21 ZINC000668744428 543859996 /nfs/dbraw/zinc/85/99/96/543859996.db2.gz NCFXILYOVZJMJR-IPMKNSEASA-N 1 3 300.421 2.928 20 0 DFADHO C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000669618793 543976123 /nfs/dbraw/zinc/97/61/23/543976123.db2.gz PMTDOSAQLWKOJF-LPHOPBHVSA-N 1 3 315.505 2.926 20 0 DFADHO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000671742063 544105463 /nfs/dbraw/zinc/10/54/63/544105463.db2.gz WTENCXZTZVTJDU-WOJBJXKFSA-N 1 3 315.505 2.958 20 0 DFADHO CN1CCCN(CCC[NH2+]Cc2ccccc2C2CC2)CC1 ZINC000674334547 544232211 /nfs/dbraw/zinc/23/22/11/544232211.db2.gz VNSVHVULPMXHQP-UHFFFAOYSA-N 1 3 301.478 2.681 20 0 DFADHO Cc1cccn2cc(CNC3CCN(c4cc[nH+]cc4)CC3)nc12 ZINC000297583854 227333776 /nfs/dbraw/zinc/33/37/76/227333776.db2.gz IPRLVDIYXVXJSL-UHFFFAOYSA-N 1 3 321.428 2.796 20 0 DFADHO Cc1nccc([C@@H]2CCC[N@@H+](CC[C@H]3CCCCN3C)C2)n1 ZINC000675492837 544315962 /nfs/dbraw/zinc/31/59/62/544315962.db2.gz GNNORRIFVHCRSM-IAGOWNOFSA-N 1 3 302.466 2.839 20 0 DFADHO Cc1nccc([C@@H]2CCC[N@H+](CC[C@H]3CCCCN3C)C2)n1 ZINC000675492837 544315963 /nfs/dbraw/zinc/31/59/63/544315963.db2.gz GNNORRIFVHCRSM-IAGOWNOFSA-N 1 3 302.466 2.839 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCN2CCCc3ccccc32)[C@@H](C)C1 ZINC000675783280 544336174 /nfs/dbraw/zinc/33/61/74/544336174.db2.gz FPQXJAIKCJIYSW-WMZOPIPTSA-N 1 3 301.478 2.759 20 0 DFADHO CC[N@H+]1CC[C@H](NCCN2CCCc3ccccc32)[C@@H](C)C1 ZINC000675783280 544336175 /nfs/dbraw/zinc/33/61/75/544336175.db2.gz FPQXJAIKCJIYSW-WMZOPIPTSA-N 1 3 301.478 2.759 20 0 DFADHO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cccc(OCCN(C)C)c1 ZINC000675766215 544334465 /nfs/dbraw/zinc/33/44/65/544334465.db2.gz FFNIHHJTETZGJJ-BHYGNILZSA-N 1 3 306.450 2.581 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+]C3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000675871242 544341450 /nfs/dbraw/zinc/34/14/50/544341450.db2.gz JRJWDYNWSYFUCT-ORPJZTTNSA-N 1 3 317.521 2.569 20 0 DFADHO COc1ccc(COCC[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000675897701 544342923 /nfs/dbraw/zinc/34/29/23/544342923.db2.gz RQJKSTXUSYOULQ-MJGOQNOKSA-N 1 3 318.461 2.628 20 0 DFADHO COc1ccc(COCC[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000675897701 544342924 /nfs/dbraw/zinc/34/29/24/544342924.db2.gz RQJKSTXUSYOULQ-MJGOQNOKSA-N 1 3 318.461 2.628 20 0 DFADHO CC(=O)N1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@H](C)C1 ZINC000675916222 544344259 /nfs/dbraw/zinc/34/42/59/544344259.db2.gz YOYALDMTSBPXIP-BEFAXECRSA-N 1 3 321.509 2.630 20 0 DFADHO Cn1ccnc1C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000676160281 544360362 /nfs/dbraw/zinc/36/03/62/544360362.db2.gz JQAAPFVDHVNTMM-IBGZPJMESA-N 1 3 324.472 2.920 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(OCCN(C)C)cc1 ZINC000678259142 544635333 /nfs/dbraw/zinc/63/53/33/544635333.db2.gz CYCIDSPWGCPQQV-GOSISDBHSA-N 1 3 319.493 2.543 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc(OCCN(C)C)cc1 ZINC000678259142 544635334 /nfs/dbraw/zinc/63/53/34/544635334.db2.gz CYCIDSPWGCPQQV-GOSISDBHSA-N 1 3 319.493 2.543 20 0 DFADHO CO[C@@H](C)C[N@H+](Cc1ccc(OCCN(C)C)cc1)C(C)C ZINC000678277546 544641514 /nfs/dbraw/zinc/64/15/14/544641514.db2.gz WZQSAHCBJVBZCJ-INIZCTEOSA-N 1 3 308.466 2.872 20 0 DFADHO CO[C@@H](C)C[N@@H+](Cc1ccc(OCCN(C)C)cc1)C(C)C ZINC000678277546 544641517 /nfs/dbraw/zinc/64/15/17/544641517.db2.gz WZQSAHCBJVBZCJ-INIZCTEOSA-N 1 3 308.466 2.872 20 0 DFADHO CC(C)[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccnc1 ZINC000678686349 544710884 /nfs/dbraw/zinc/71/08/84/544710884.db2.gz OXLVAIBYSKMEKS-MJGOQNOKSA-N 1 3 316.493 2.537 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000678923704 544749426 /nfs/dbraw/zinc/74/94/26/544749426.db2.gz ANCDVKGMCBJIES-LJQANCHMSA-N 1 3 319.468 2.820 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(F)cc1 ZINC000678957085 544756215 /nfs/dbraw/zinc/75/62/15/544756215.db2.gz SAAQDPVDHKAKOJ-CRAIPNDOSA-N 1 3 319.468 2.687 20 0 DFADHO Cc1cc(N2CCN(C)CC2)ccc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000678999380 544766187 /nfs/dbraw/zinc/76/61/87/544766187.db2.gz AONBIORCUATUGP-IAGOWNOFSA-N 1 3 316.493 2.641 20 0 DFADHO Cc1cc(N2CCN(C)CC2)ccc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000678999380 544766189 /nfs/dbraw/zinc/76/61/89/544766189.db2.gz AONBIORCUATUGP-IAGOWNOFSA-N 1 3 316.493 2.641 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCc3nccn3C2)CC1 ZINC000679025430 544769489 /nfs/dbraw/zinc/76/94/89/544769489.db2.gz SCMMXQQPRSZFPC-NXHRZFHOSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCc3nccn3C2)CC1 ZINC000679025430 544769492 /nfs/dbraw/zinc/76/94/92/544769492.db2.gz SCMMXQQPRSZFPC-NXHRZFHOSA-N 1 3 316.493 2.831 20 0 DFADHO CC(C)(CO)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000679720576 544905557 /nfs/dbraw/zinc/90/55/57/544905557.db2.gz CMUXHTYFFGSQOB-GUDVDZBRSA-N 1 3 316.489 2.895 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC4CSC4)[C@@H]3C2)cc1 ZINC000680334014 544992825 /nfs/dbraw/zinc/99/28/25/544992825.db2.gz KMFBAKVRZGQSCU-CGTJXYLNSA-N 1 3 302.487 2.992 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NC4CSC4)[C@@H]3C2)cc1 ZINC000680334014 544992826 /nfs/dbraw/zinc/99/28/26/544992826.db2.gz KMFBAKVRZGQSCU-CGTJXYLNSA-N 1 3 302.487 2.992 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]C4CSC4)[C@@H]3C2)cc1 ZINC000680334014 544992829 /nfs/dbraw/zinc/99/28/29/544992829.db2.gz KMFBAKVRZGQSCU-CGTJXYLNSA-N 1 3 302.487 2.992 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000066960869 425907816 /nfs/dbraw/zinc/90/78/16/425907816.db2.gz GSPAZYDOMDXIHU-HNNXBMFYSA-N 1 3 311.514 2.734 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000066960869 425907817 /nfs/dbraw/zinc/90/78/17/425907817.db2.gz GSPAZYDOMDXIHU-HNNXBMFYSA-N 1 3 311.514 2.734 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000155638662 425923127 /nfs/dbraw/zinc/92/31/27/425923127.db2.gz SPVUDEIHAQMUCA-SJORKVTESA-N 1 3 319.493 2.680 20 0 DFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000156007969 425932666 /nfs/dbraw/zinc/93/26/66/425932666.db2.gz HJJNSZFDCCTFNA-QGZVFWFLSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000156007969 425932669 /nfs/dbraw/zinc/93/26/69/425932669.db2.gz HJJNSZFDCCTFNA-QGZVFWFLSA-N 1 3 317.477 2.598 20 0 DFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N1CCCCC1 ZINC000085290342 267448412 /nfs/dbraw/zinc/44/84/12/267448412.db2.gz WNOIJCZERORYKP-HOTGVXAUSA-N 1 3 311.514 2.589 20 0 DFADHO COC(=O)C1CCC([NH2+]CCCN2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000192439370 268036701 /nfs/dbraw/zinc/03/67/01/268036701.db2.gz GYUDQNSXQXJWAV-JUVOFCAFSA-N 1 3 310.482 2.676 20 0 DFADHO CC(C)C[NH+]1CCC(NC(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000195491472 268136046 /nfs/dbraw/zinc/13/60/46/268136046.db2.gz MKWGXIZJTPPARI-UHFFFAOYSA-N 1 3 317.477 2.598 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000236914963 268152538 /nfs/dbraw/zinc/15/25/38/268152538.db2.gz NMGHJRZHYMYACZ-RKVPGOIHSA-N 1 3 317.477 2.702 20 0 DFADHO [NH3+]CCCCCCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000237986752 268162575 /nfs/dbraw/zinc/16/25/75/268162575.db2.gz JBDYFKNAPQSKNB-OAHLLOKOSA-N 1 3 323.506 2.910 20 0 DFADHO Cc1nccn1CC[N@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000270675320 268199954 /nfs/dbraw/zinc/19/99/54/268199954.db2.gz SIOGCCJPNIGIHA-QGZVFWFLSA-N 1 3 312.461 2.788 20 0 DFADHO Cc1nccn1CC[N@@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000270675320 268199958 /nfs/dbraw/zinc/19/99/58/268199958.db2.gz SIOGCCJPNIGIHA-QGZVFWFLSA-N 1 3 312.461 2.788 20 0 DFADHO Cc1ccc(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)cc1 ZINC000270942998 268238315 /nfs/dbraw/zinc/23/83/15/268238315.db2.gz RTRPXFHUXDFRPF-UHFFFAOYSA-N 1 3 315.505 2.985 20 0 DFADHO CC(C)c1ccccc1NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000324386947 268350624 /nfs/dbraw/zinc/35/06/24/268350624.db2.gz ADNMZNZSOXXDSN-IYBDPMFKSA-N 1 3 315.461 2.680 20 0 DFADHO C[C@@H]1C[C@@H](NCCOCC[NH+](C)C)c2ccsc2S1 ZINC000336806182 268435033 /nfs/dbraw/zinc/43/50/33/268435033.db2.gz KEWXUGRDASNXCO-DGCLKSJQSA-N 1 3 300.493 2.841 20 0 DFADHO CSCCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000157920918 425941378 /nfs/dbraw/zinc/94/13/78/425941378.db2.gz MFMKMZMAFRXRFZ-GJZGRUSLSA-N 1 3 300.512 2.561 20 0 DFADHO C[C@@H](C(=O)N1CCC([NH2+]C2CCCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000126779340 426036426 /nfs/dbraw/zinc/03/64/26/426036426.db2.gz UCNOTZWNIBKUGT-OAGGEKHMSA-N 1 3 321.509 2.771 20 0 DFADHO Cc1nccn1CCCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000162039404 426049435 /nfs/dbraw/zinc/04/94/35/426049435.db2.gz OZPLIUNEWKJWSY-GOSISDBHSA-N 1 3 304.482 2.780 20 0 DFADHO Cc1nccn1CCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000162039404 426049438 /nfs/dbraw/zinc/04/94/38/426049438.db2.gz OZPLIUNEWKJWSY-GOSISDBHSA-N 1 3 304.482 2.780 20 0 DFADHO Cc1nccn1CCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000162039404 426049440 /nfs/dbraw/zinc/04/94/40/426049440.db2.gz OZPLIUNEWKJWSY-GOSISDBHSA-N 1 3 304.482 2.780 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000162181509 426055841 /nfs/dbraw/zinc/05/58/41/426055841.db2.gz GGERRKVELQDFOZ-WMZOPIPTSA-N 1 3 310.482 2.521 20 0 DFADHO COc1ccc([C@H](CCO)[NH2+]CCCN2CCCCC2)cc1 ZINC000162260495 426058088 /nfs/dbraw/zinc/05/80/88/426058088.db2.gz DRGDCDYWXSXVAQ-SFHVURJKSA-N 1 3 306.450 2.584 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162420111 426064340 /nfs/dbraw/zinc/06/43/40/426064340.db2.gz UWYDRYKFXGDWTN-RYRKJORJSA-N 1 3 316.493 2.890 20 0 DFADHO CC[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000162491597 426066038 /nfs/dbraw/zinc/06/60/38/426066038.db2.gz XUYORCHIJHKRCL-SFHVURJKSA-N 1 3 316.449 2.601 20 0 DFADHO CCC[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000127940026 426093997 /nfs/dbraw/zinc/09/39/97/426093997.db2.gz JHBHSODZJZERCE-ZWKOTPCHSA-N 1 3 317.477 2.705 20 0 DFADHO CCC[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000127940026 426094000 /nfs/dbraw/zinc/09/40/00/426094000.db2.gz JHBHSODZJZERCE-ZWKOTPCHSA-N 1 3 317.477 2.705 20 0 DFADHO CCN1CC[C@@H](C[NH2+]C2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000163216846 426094258 /nfs/dbraw/zinc/09/42/58/426094258.db2.gz HDAFRKZDZSGOFX-KRWDZBQOSA-N 1 3 319.468 2.722 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)C(C)(C)c1ccccc1 ZINC000128251138 426109111 /nfs/dbraw/zinc/10/91/11/426109111.db2.gz MQWLVEQTGZKZGG-GOSISDBHSA-N 1 3 317.521 2.970 20 0 DFADHO CC[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(OC)c1 ZINC000128276417 426109870 /nfs/dbraw/zinc/10/98/70/426109870.db2.gz ZABGPQAZVDAIFP-LJQANCHMSA-N 1 3 319.493 2.764 20 0 DFADHO Cc1ccc(C)c([C@H](C)[NH2+]CCCN2CCCN(C)CC2)c1 ZINC000128296696 426110894 /nfs/dbraw/zinc/11/08/94/426110894.db2.gz MKHJHYWJLVRPGO-SFHVURJKSA-N 1 3 303.494 2.982 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CCN1C ZINC000165293241 426121678 /nfs/dbraw/zinc/12/16/78/426121678.db2.gz OMKJHVPGSQIKQY-HOJAQTOUSA-N 1 3 315.505 2.623 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CCN1C ZINC000165292996 426121997 /nfs/dbraw/zinc/12/19/97/426121997.db2.gz OMKJHVPGSQIKQY-YZGWKJHDSA-N 1 3 315.505 2.623 20 0 DFADHO CC[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCOC1 ZINC000165330061 426122275 /nfs/dbraw/zinc/12/22/75/426122275.db2.gz IYWKNFMDDTWMDR-ZCNNSNEGSA-N 1 3 316.489 2.956 20 0 DFADHO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CCN1C ZINC000165293126 426122549 /nfs/dbraw/zinc/12/25/49/426122549.db2.gz OMKJHVPGSQIKQY-YSIASYRMSA-N 1 3 315.505 2.623 20 0 DFADHO NC1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCCCC1 ZINC000165925340 426124896 /nfs/dbraw/zinc/12/48/96/426124896.db2.gz ZDTNUPWTHCVZHR-UHFFFAOYSA-N 1 3 315.461 2.925 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCN(C)CC1)CCC2 ZINC000166509954 426128425 /nfs/dbraw/zinc/12/84/25/426128425.db2.gz JMHWVSWYLGPSKJ-FQEVSTJZSA-N 1 3 315.505 2.990 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000167620633 426133014 /nfs/dbraw/zinc/13/30/14/426133014.db2.gz SCUPEXVSFOQMNM-HNNXBMFYSA-N 1 3 317.477 2.622 20 0 DFADHO CC(C)C[C@H](N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167617729 426133776 /nfs/dbraw/zinc/13/37/76/426133776.db2.gz WVZBEXQSCXCSCE-HOCLYGCPSA-N 1 3 305.466 2.605 20 0 DFADHO CCCCOC(=O)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134939012 426200753 /nfs/dbraw/zinc/20/07/53/426200753.db2.gz AYPORONZUKWLSP-NVXWUHKLSA-N 1 3 308.466 2.669 20 0 DFADHO CCCCOC(=O)CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134939012 426200756 /nfs/dbraw/zinc/20/07/56/426200756.db2.gz AYPORONZUKWLSP-NVXWUHKLSA-N 1 3 308.466 2.669 20 0 DFADHO COc1cccc(OCCN2CCC(CC[NH+](C)C)CC2)c1 ZINC000133460905 426178528 /nfs/dbraw/zinc/17/85/28/426178528.db2.gz SOZHDKZZESUVGQ-UHFFFAOYSA-N 1 3 306.450 2.738 20 0 DFADHO Cn1cccc1CNCc1ccc(OCCC[NH+](C)C)cc1 ZINC000119056764 426258367 /nfs/dbraw/zinc/25/83/67/426258367.db2.gz WOHCOWLGFSOKGV-UHFFFAOYSA-N 1 3 301.434 2.645 20 0 DFADHO CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(OC)cc1 ZINC000150970858 426269758 /nfs/dbraw/zinc/26/97/58/426269758.db2.gz DEPBFKNMOAWABL-IBGZPJMESA-N 1 3 319.493 2.762 20 0 DFADHO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)CC2 ZINC000150985832 426270893 /nfs/dbraw/zinc/27/08/93/426270893.db2.gz WQULVJPDRJXIND-IBGZPJMESA-N 1 3 301.478 2.598 20 0 DFADHO C[C@H]([NH2+]CCc1ccccn1)c1cccc(OCCN(C)C)c1 ZINC000151405780 426294717 /nfs/dbraw/zinc/29/47/17/426294717.db2.gz OJRFNCVEFPHQJI-INIZCTEOSA-N 1 3 313.445 2.915 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCN(C)Cc1ccccc1 ZINC000121233488 426327460 /nfs/dbraw/zinc/32/74/60/426327460.db2.gz QNYGDPVGWWAIBM-AOIWGVFYSA-N 1 3 303.494 2.827 20 0 DFADHO C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N1CCCCCC1 ZINC000175953476 426340595 /nfs/dbraw/zinc/34/05/95/426340595.db2.gz WHMSGYCRTCZOGF-ZWKOTPCHSA-N 1 3 321.509 2.728 20 0 DFADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccs1 ZINC000090937317 426334440 /nfs/dbraw/zinc/33/44/40/426334440.db2.gz VUWDNIZGOYAGML-ZDUSSCGKSA-N 1 3 305.447 2.934 20 0 DFADHO Cc1cccc(NC[C@H]2CCN(CC[NH+]3CCCCC3)C2)n1 ZINC000151114221 426278382 /nfs/dbraw/zinc/27/83/82/426278382.db2.gz IVWHGAMUGOBJQL-QGZVFWFLSA-N 1 3 302.466 2.610 20 0 DFADHO Cc1cccc(NC[C@H]2CC[N@H+](CCN3CCCCC3)C2)n1 ZINC000151114221 426278384 /nfs/dbraw/zinc/27/83/84/426278384.db2.gz IVWHGAMUGOBJQL-QGZVFWFLSA-N 1 3 302.466 2.610 20 0 DFADHO Cc1cccc(NC[C@H]2CC[N@@H+](CCN3CCCCC3)C2)n1 ZINC000151114221 426278386 /nfs/dbraw/zinc/27/83/86/426278386.db2.gz IVWHGAMUGOBJQL-QGZVFWFLSA-N 1 3 302.466 2.610 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(OCCN(C)C)cc1 ZINC000152845699 426357793 /nfs/dbraw/zinc/35/77/93/426357793.db2.gz BIAXOSAJVPJZME-VKJFTORMSA-N 1 3 306.450 2.845 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccccc1N(C)C ZINC000093946827 426359553 /nfs/dbraw/zinc/35/95/53/426359553.db2.gz VRUMOYJUZJYGME-JKSUJKDBSA-N 1 3 307.482 2.760 20 0 DFADHO CC[C@@H]([NH2+]Cc1ccccc1OCCN(C)C)[C@@H]1CCOC1 ZINC000122376280 426372901 /nfs/dbraw/zinc/37/29/01/426372901.db2.gz KPVDHOQMYSZBGG-IAGOWNOFSA-N 1 3 306.450 2.532 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCc3ccccc3C2)CCN1C ZINC000122759093 426392703 /nfs/dbraw/zinc/39/27/03/426392703.db2.gz GGOASSOBZMNHJR-APWZRJJASA-N 1 3 301.478 2.507 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)N(C)C ZINC000154128920 426426211 /nfs/dbraw/zinc/42/62/11/426426211.db2.gz VVAFHRYXJOCZCM-GOSISDBHSA-N 1 3 323.525 2.687 20 0 DFADHO CCc1nc(C)c([C@@H](C)[NH2+]CCCN2CCN(CC)CC2)s1 ZINC000154223074 426430042 /nfs/dbraw/zinc/43/00/42/426430042.db2.gz DCKBDCINOXJIAH-CQSZACIVSA-N 1 3 324.538 2.692 20 0 DFADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1cccc(OC)c1 ZINC000154239619 426431633 /nfs/dbraw/zinc/43/16/33/426431633.db2.gz MTSXNSPNJCGDKN-IBGZPJMESA-N 1 3 319.493 2.764 20 0 DFADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000177029366 426436179 /nfs/dbraw/zinc/43/61/79/426436179.db2.gz VAUCDQIUWGMREL-PBHICJAKSA-N 1 3 318.465 2.598 20 0 DFADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000177029366 426436182 /nfs/dbraw/zinc/43/61/82/426436182.db2.gz VAUCDQIUWGMREL-PBHICJAKSA-N 1 3 318.465 2.598 20 0 DFADHO CC[C@H](CSc1ccc(Cl)cc1)NC[C@H](O)C[NH+](C)C ZINC000154372702 426437952 /nfs/dbraw/zinc/43/79/52/426437952.db2.gz WNHCRCQKCABGMI-KGLIPLIRSA-N 1 3 316.898 2.723 20 0 DFADHO CC(C)C[C@@H]1CCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000123538861 426439798 /nfs/dbraw/zinc/43/97/98/426439798.db2.gz QAJAVTFLMJXVLM-SFHVURJKSA-N 1 3 323.525 2.876 20 0 DFADHO CCCC[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000154549276 426445018 /nfs/dbraw/zinc/44/50/18/426445018.db2.gz KTPAUOODHBDRTG-ULQDDVLXSA-N 1 3 309.498 2.617 20 0 DFADHO CCCC[C@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000154549276 426445021 /nfs/dbraw/zinc/44/50/21/426445021.db2.gz KTPAUOODHBDRTG-ULQDDVLXSA-N 1 3 309.498 2.617 20 0 DFADHO CN1CCC(C[NH2+]C[C@@H]2CC=CCC2)(N2CCCCC2)CC1 ZINC000123835032 426455779 /nfs/dbraw/zinc/45/57/79/426455779.db2.gz SODLRKSVCXSCRY-GOSISDBHSA-N 1 3 305.510 2.883 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1)C1CC1 ZINC000154938821 426459448 /nfs/dbraw/zinc/45/94/48/426459448.db2.gz CUQLICKVVWAIGW-IBGZPJMESA-N 1 3 315.461 2.528 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ccccc2O)[C@H](C)C1 ZINC000154944925 426460046 /nfs/dbraw/zinc/46/00/46/426460046.db2.gz WUSTUDCSMSBOFL-AEFFLSMTSA-N 1 3 320.477 2.661 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NCCc2ccccc2O)[C@H](C)C1 ZINC000154944925 426460049 /nfs/dbraw/zinc/46/00/49/426460049.db2.gz WUSTUDCSMSBOFL-AEFFLSMTSA-N 1 3 320.477 2.661 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000101650209 426485720 /nfs/dbraw/zinc/48/57/20/426485720.db2.gz QVSXJFQPMQSJNB-MWDXBVQZSA-N 1 3 311.514 2.874 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280147857 426506916 /nfs/dbraw/zinc/50/69/16/426506916.db2.gz ADNGTTHMFGCOAM-IBGZPJMESA-N 1 3 316.493 2.540 20 0 DFADHO CCN1CCC([NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272368574 426508608 /nfs/dbraw/zinc/50/86/08/426508608.db2.gz UIUYJMRREDYNDA-PKOBYXMFSA-N 1 3 315.505 2.971 20 0 DFADHO Cn1cc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000272388874 426512784 /nfs/dbraw/zinc/51/27/84/426512784.db2.gz GTBVSUABGZLFSS-ACDBMABISA-N 1 3 324.472 2.748 20 0 DFADHO Cn1cc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000272388874 426512787 /nfs/dbraw/zinc/51/27/87/426512787.db2.gz GTBVSUABGZLFSS-ACDBMABISA-N 1 3 324.472 2.748 20 0 DFADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000177750980 426513697 /nfs/dbraw/zinc/51/36/97/426513697.db2.gz FXYUVGSABASKPQ-DZKIICNBSA-N 1 3 317.433 2.777 20 0 DFADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000177750980 426513701 /nfs/dbraw/zinc/51/37/01/426513701.db2.gz FXYUVGSABASKPQ-DZKIICNBSA-N 1 3 317.433 2.777 20 0 DFADHO CN1CCCN(CCC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000186406678 426520221 /nfs/dbraw/zinc/52/02/21/426520221.db2.gz OLIGOXXYXWADSQ-LJQANCHMSA-N 1 3 316.493 2.551 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000178005138 426554984 /nfs/dbraw/zinc/55/49/84/426554984.db2.gz TYRPCBRRHNCZPP-AWEZNQCLSA-N 1 3 324.538 2.828 20 0 DFADHO C[C@@H](CCC1CC1)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000186499176 426539502 /nfs/dbraw/zinc/53/95/02/426539502.db2.gz NNLAYFFXDGKXME-KXBFYZLASA-N 1 3 302.462 2.922 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCCN(C)CC2)c2ccccc21 ZINC000289102569 426584110 /nfs/dbraw/zinc/58/41/10/426584110.db2.gz CFYAMWIOEXRXSI-QFBILLFUSA-N 1 3 301.478 2.852 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000280784977 426654660 /nfs/dbraw/zinc/65/46/60/426654660.db2.gz FZSBITXEQFNGGH-ZIAGYGMSSA-N 1 3 310.869 2.878 20 0 DFADHO Cc1ccncc1C[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000280815180 426662044 /nfs/dbraw/zinc/66/20/44/426662044.db2.gz IKIFTIYFUYAJJX-UHFFFAOYSA-N 1 3 313.445 2.663 20 0 DFADHO CCCN(C(=O)CCC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000236744214 426683256 /nfs/dbraw/zinc/68/32/56/426683256.db2.gz JQOHURIYJSZMCQ-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(OCCN(C)C)cc1 ZINC000178424456 426627194 /nfs/dbraw/zinc/62/71/94/426627194.db2.gz RNKGRCJZWNNTNJ-JKSUJKDBSA-N 1 3 306.450 2.704 20 0 DFADHO Cc1ccc(C)c([C@H]2CCCN2C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289330404 426629862 /nfs/dbraw/zinc/62/98/62/426629862.db2.gz HQXNOTFPUQQRNF-IEBWSBKVSA-N 1 3 302.462 2.895 20 0 DFADHO Cc1ccc(C)c([C@H]2CCCN2C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000289330404 426629865 /nfs/dbraw/zinc/62/98/65/426629865.db2.gz HQXNOTFPUQQRNF-IEBWSBKVSA-N 1 3 302.462 2.895 20 0 DFADHO C[C@H]1C[C@H](NCC2=CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000187741794 426688286 /nfs/dbraw/zinc/68/82/86/426688286.db2.gz QEPRSXNKBZYTJX-GOEBONIOSA-N 1 3 323.481 2.626 20 0 DFADHO C[C@H]1C[C@H](NCC2=CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000187741794 426688291 /nfs/dbraw/zinc/68/82/91/426688291.db2.gz QEPRSXNKBZYTJX-GOEBONIOSA-N 1 3 323.481 2.626 20 0 DFADHO C[NH+]1CCC(O)(CNCc2ccc(-c3ccccc3F)o2)CC1 ZINC000265919733 426710567 /nfs/dbraw/zinc/71/05/67/426710567.db2.gz ZUEGHKMBSYRUTB-UHFFFAOYSA-N 1 3 318.392 2.632 20 0 DFADHO C[C@H]([NH2+]CCN1CC=CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000280950699 426692757 /nfs/dbraw/zinc/69/27/57/426692757.db2.gz JRKXKTANFHKBBB-ICSRJNTNSA-N 1 3 313.489 2.749 20 0 DFADHO C[C@H](NCCN1CC=CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280950699 426692761 /nfs/dbraw/zinc/69/27/61/426692761.db2.gz JRKXKTANFHKBBB-ICSRJNTNSA-N 1 3 313.489 2.749 20 0 DFADHO C[C@H](NCCN1CC=CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280950699 426692762 /nfs/dbraw/zinc/69/27/62/426692762.db2.gz JRKXKTANFHKBBB-ICSRJNTNSA-N 1 3 313.489 2.749 20 0 DFADHO COCCC[C@@H](C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000178795078 426697797 /nfs/dbraw/zinc/69/77/97/426697797.db2.gz KUYWWCAZRUIQGA-MRXNPFEDSA-N 1 3 320.477 2.548 20 0 DFADHO c1cn(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000245737297 426766834 /nfs/dbraw/zinc/76/68/34/426766834.db2.gz QZNVZVAGKPDTTM-LDLYASANSA-N 1 3 310.445 2.668 20 0 DFADHO c1cn(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245737297 426766838 /nfs/dbraw/zinc/76/68/38/426766838.db2.gz QZNVZVAGKPDTTM-LDLYASANSA-N 1 3 310.445 2.668 20 0 DFADHO COCCOCc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290494698 426777937 /nfs/dbraw/zinc/77/79/37/426777937.db2.gz OTGDUJUTXDXNAM-QFBILLFUSA-N 1 3 320.477 2.622 20 0 DFADHO COCCOCc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290494698 426777942 /nfs/dbraw/zinc/77/79/42/426777942.db2.gz OTGDUJUTXDXNAM-QFBILLFUSA-N 1 3 320.477 2.622 20 0 DFADHO CN1CCCC[C@@H]1CC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000274509985 426781912 /nfs/dbraw/zinc/78/19/12/426781912.db2.gz WQZXMQISMJBZAI-GOSISDBHSA-N 1 3 302.462 2.844 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000245951867 426788039 /nfs/dbraw/zinc/78/80/39/426788039.db2.gz WNPDFAMKCRACET-ZPUIDXCVSA-N 1 3 310.388 2.867 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000245951867 426788042 /nfs/dbraw/zinc/78/80/42/426788042.db2.gz WNPDFAMKCRACET-ZPUIDXCVSA-N 1 3 310.388 2.867 20 0 DFADHO C[C@@H]1CCC[C@H](CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000245643154 426758666 /nfs/dbraw/zinc/75/86/66/426758666.db2.gz ZGAPTDHKWBDIKK-CEXWTWQISA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1CCC[C@H](CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000245643154 426758669 /nfs/dbraw/zinc/75/86/69/426758669.db2.gz ZGAPTDHKWBDIKK-CEXWTWQISA-N 1 3 307.526 2.915 20 0 DFADHO C[C@H](O)[C@](C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000188921796 426800154 /nfs/dbraw/zinc/80/01/54/426800154.db2.gz IYRIMFFUHZMMKF-NBYUQASBSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@H](O)[C@](C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000188921796 426800158 /nfs/dbraw/zinc/80/01/58/426800158.db2.gz IYRIMFFUHZMMKF-NBYUQASBSA-N 1 3 316.489 2.833 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000246375434 426824908 /nfs/dbraw/zinc/82/49/08/426824908.db2.gz HWPCHTKNVOMSSS-XWTMOSNGSA-N 1 3 323.525 2.732 20 0 DFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000246375434 426824910 /nfs/dbraw/zinc/82/49/10/426824910.db2.gz HWPCHTKNVOMSSS-XWTMOSNGSA-N 1 3 323.525 2.732 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CCN(C)C)cc1 ZINC000267104887 426825627 /nfs/dbraw/zinc/82/56/27/426825627.db2.gz LUUHEBHSFHIWIO-UHFFFAOYSA-N 1 3 305.466 2.552 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CCN(C)C)cc1 ZINC000267104887 426825631 /nfs/dbraw/zinc/82/56/31/426825631.db2.gz LUUHEBHSFHIWIO-UHFFFAOYSA-N 1 3 305.466 2.552 20 0 DFADHO CN1CCN(CC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1(C)C ZINC000282215896 426856156 /nfs/dbraw/zinc/85/61/56/426856156.db2.gz HPNNCBNUXPLLKR-SFHVURJKSA-N 1 3 319.468 2.892 20 0 DFADHO C[NH+](C)CCC1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000188864753 426795869 /nfs/dbraw/zinc/79/58/69/426795869.db2.gz GMJKBMCZTSDFBB-UHFFFAOYSA-N 1 3 314.367 2.567 20 0 DFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@H](C)c1ccccc1 ZINC000282237957 426859799 /nfs/dbraw/zinc/85/97/99/426859799.db2.gz IYBCASZMQNVFGD-DLBZAZTESA-N 1 3 303.494 2.794 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC)C2)[C@@H](C)C1 ZINC000246870356 426875771 /nfs/dbraw/zinc/87/57/71/426875771.db2.gz CZBAVRJXOMXGON-BBWFWOEESA-N 1 3 317.477 2.594 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC)C2)[C@@H](C)C1 ZINC000246870356 426875775 /nfs/dbraw/zinc/87/57/75/426875775.db2.gz CZBAVRJXOMXGON-BBWFWOEESA-N 1 3 317.477 2.594 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000291103448 426876971 /nfs/dbraw/zinc/87/69/71/426876971.db2.gz JPLQNVSGBBOWPD-OALUTQOASA-N 1 3 301.478 2.500 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000291103448 426876976 /nfs/dbraw/zinc/87/69/76/426876976.db2.gz JPLQNVSGBBOWPD-OALUTQOASA-N 1 3 301.478 2.500 20 0 DFADHO C[C@@H]([NH2+]CC1(N(C)C)CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000275626342 426883651 /nfs/dbraw/zinc/88/36/51/426883651.db2.gz AMDSKGAELZNUAF-MJGOQNOKSA-N 1 3 315.505 2.971 20 0 DFADHO CCN(CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246982228 426885621 /nfs/dbraw/zinc/88/56/21/426885621.db2.gz KCJPFXZQVVQVGK-QLFBSQMISA-N 1 3 313.486 2.562 20 0 DFADHO CCN(CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246982228 426885626 /nfs/dbraw/zinc/88/56/26/426885626.db2.gz KCJPFXZQVVQVGK-QLFBSQMISA-N 1 3 313.486 2.562 20 0 DFADHO C[C@](O)(C[NH2+]C1CCN(C2CCCC2)CC1)c1ccsc1 ZINC000305192844 426894038 /nfs/dbraw/zinc/89/40/38/426894038.db2.gz YPXXRSMMCGRNCV-KRWDZBQOSA-N 1 3 308.491 2.952 20 0 DFADHO CC[N@@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000247062355 426897960 /nfs/dbraw/zinc/89/79/60/426897960.db2.gz PQIPJPJESQSSIA-YTQUADARSA-N 1 3 303.494 2.918 20 0 DFADHO CC[N@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000247062355 426897966 /nfs/dbraw/zinc/89/79/66/426897966.db2.gz PQIPJPJESQSSIA-YTQUADARSA-N 1 3 303.494 2.918 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000247062355 426897973 /nfs/dbraw/zinc/89/79/73/426897973.db2.gz PQIPJPJESQSSIA-YTQUADARSA-N 1 3 303.494 2.918 20 0 DFADHO Cc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000282424030 426908872 /nfs/dbraw/zinc/90/88/72/426908872.db2.gz SUOCPVXOACBRRI-KRWDZBQOSA-N 1 3 303.494 2.980 20 0 DFADHO C[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000247174674 426910896 /nfs/dbraw/zinc/91/08/96/426910896.db2.gz YSFBCRQXCGFIOV-JTDSTZFVSA-N 1 3 301.478 2.506 20 0 DFADHO C[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000247174674 426910899 /nfs/dbraw/zinc/91/08/99/426910899.db2.gz YSFBCRQXCGFIOV-JTDSTZFVSA-N 1 3 301.478 2.506 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000275924899 426947461 /nfs/dbraw/zinc/94/74/61/426947461.db2.gz WOVOBJFDARIDQQ-ZWKOTPCHSA-N 1 3 302.462 2.543 20 0 DFADHO C[C@H](C[NH2+]Cc1ccc(OCc2ccncc2)cc1)CN(C)C ZINC000291789276 426989208 /nfs/dbraw/zinc/98/92/08/426989208.db2.gz VXVFPVZIQBWETF-MRXNPFEDSA-N 1 3 313.445 2.948 20 0 DFADHO C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000247451404 426939167 /nfs/dbraw/zinc/93/91/67/426939167.db2.gz ZDVVPEJALHRUHY-XWTMOSNGSA-N 1 3 321.509 2.725 20 0 DFADHO C[C@H](NCCOCC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276158733 426997063 /nfs/dbraw/zinc/99/70/63/426997063.db2.gz CYODOKXKDAISDP-GOEBONIOSA-N 1 3 312.404 2.768 20 0 DFADHO C[C@H](NCCOCC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276158733 426997070 /nfs/dbraw/zinc/99/70/70/426997070.db2.gz CYODOKXKDAISDP-GOEBONIOSA-N 1 3 312.404 2.768 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)N(C)Cc2ccccc2)CCN1C ZINC000248583921 427015231 /nfs/dbraw/zinc/01/52/31/427015231.db2.gz WXGHQJMIFOEYKC-NSISKUIASA-N 1 3 315.505 2.969 20 0 DFADHO C[C@@H]1CCCC[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000248590524 427017555 /nfs/dbraw/zinc/01/75/55/427017555.db2.gz ZFGNFAVPTREZIK-SJLPKXTDSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@@H]1CCCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000248590524 427017562 /nfs/dbraw/zinc/01/75/62/427017562.db2.gz ZFGNFAVPTREZIK-SJLPKXTDSA-N 1 3 317.477 2.528 20 0 DFADHO CCC(CC)(CNC(=O)C1(N)CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000295989157 427037203 /nfs/dbraw/zinc/03/72/03/427037203.db2.gz KCFCONGJIKOEIZ-OAHLLOKOSA-N 1 3 317.477 2.894 20 0 DFADHO CCCN1CC[C@H](C[NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC000248989135 427072008 /nfs/dbraw/zinc/07/20/08/427072008.db2.gz GWEUDVCNGZBADT-WBVHZDCISA-N 1 3 302.462 2.874 20 0 DFADHO CCC[NH+]1CCC(N(C)C[C@H](O)CCc2ccccc2)CC1 ZINC000182438383 427075564 /nfs/dbraw/zinc/07/55/64/427075564.db2.gz NMGSGYXTPKBOSA-LJQANCHMSA-N 1 3 304.478 2.786 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@H]2C)C12CCOCC2 ZINC000249035763 427080121 /nfs/dbraw/zinc/08/01/21/427080121.db2.gz TZUGRGSOKQNDJA-FGTMMUONSA-N 1 3 324.509 2.815 20 0 DFADHO CCO[C@@H]1C[C@H](NCCC[N@@H+]2CCCC[C@H]2C)C12CCOCC2 ZINC000249035763 427080127 /nfs/dbraw/zinc/08/01/27/427080127.db2.gz TZUGRGSOKQNDJA-FGTMMUONSA-N 1 3 324.509 2.815 20 0 DFADHO CCO[C@@H]1C[C@H](NCCC[N@H+]2CCCC[C@H]2C)C12CCOCC2 ZINC000249035763 427080132 /nfs/dbraw/zinc/08/01/32/427080132.db2.gz TZUGRGSOKQNDJA-FGTMMUONSA-N 1 3 324.509 2.815 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)ccn1 ZINC000338004362 427086849 /nfs/dbraw/zinc/08/68/49/427086849.db2.gz YTWMWLYTNFLXGC-DLBZAZTESA-N 1 3 303.450 2.690 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000268701088 427093012 /nfs/dbraw/zinc/09/30/12/427093012.db2.gz FPJVMZIHNPHZHE-RWQQGDIJSA-N 1 3 301.478 2.579 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268701088 427093017 /nfs/dbraw/zinc/09/30/17/427093017.db2.gz FPJVMZIHNPHZHE-RWQQGDIJSA-N 1 3 301.478 2.579 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268701088 427093022 /nfs/dbraw/zinc/09/30/22/427093022.db2.gz FPJVMZIHNPHZHE-RWQQGDIJSA-N 1 3 301.478 2.579 20 0 DFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000268776369 427112330 /nfs/dbraw/zinc/11/23/30/427112330.db2.gz RPPBUSGCHFOSFG-GJYPPUQNSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccccc1Cn1ccnc1 ZINC000268776369 427112336 /nfs/dbraw/zinc/11/23/36/427112336.db2.gz RPPBUSGCHFOSFG-GJYPPUQNSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccccc1Cn1ccnc1 ZINC000268776369 427112341 /nfs/dbraw/zinc/11/23/41/427112341.db2.gz RPPBUSGCHFOSFG-GJYPPUQNSA-N 1 3 312.461 2.750 20 0 DFADHO C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000338048274 427114787 /nfs/dbraw/zinc/11/47/87/427114787.db2.gz ANRHQTBZQKXZOA-WCXIOVBPSA-N 1 3 323.525 2.874 20 0 DFADHO C[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000338048274 427114793 /nfs/dbraw/zinc/11/47/93/427114793.db2.gz ANRHQTBZQKXZOA-WCXIOVBPSA-N 1 3 323.525 2.874 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000268798703 427119270 /nfs/dbraw/zinc/11/92/70/427119270.db2.gz GXHUBFXKPVSOQD-HZPDHXFCSA-N 1 3 317.477 2.675 20 0 DFADHO CNC(=O)C[C@@H](C)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000268798703 427119275 /nfs/dbraw/zinc/11/92/75/427119275.db2.gz GXHUBFXKPVSOQD-HZPDHXFCSA-N 1 3 317.477 2.675 20 0 DFADHO CCN(CC)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000292186226 427122876 /nfs/dbraw/zinc/12/28/76/427122876.db2.gz XDCITQQLLJWIDH-JKSUJKDBSA-N 1 3 323.506 2.779 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000268813894 427124002 /nfs/dbraw/zinc/12/40/02/427124002.db2.gz LNQUYTSEPUQMLW-HOTGVXAUSA-N 1 3 317.477 2.675 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000268813894 427124007 /nfs/dbraw/zinc/12/40/07/427124007.db2.gz LNQUYTSEPUQMLW-HOTGVXAUSA-N 1 3 317.477 2.675 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000268813901 427125373 /nfs/dbraw/zinc/12/53/73/427125373.db2.gz LNQUYTSEPUQMLW-JKSUJKDBSA-N 1 3 317.477 2.675 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000268813901 427125378 /nfs/dbraw/zinc/12/53/78/427125378.db2.gz LNQUYTSEPUQMLW-JKSUJKDBSA-N 1 3 317.477 2.675 20 0 DFADHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000338143704 427157907 /nfs/dbraw/zinc/15/79/07/427157907.db2.gz NRQOPHQZZXRCOA-IDKBZEPQSA-N 1 3 308.853 2.790 20 0 DFADHO CC(C)([NH2+]CCCN1CCCCC1)C(=O)NCC1CCCCC1 ZINC000162190030 271083190 /nfs/dbraw/zinc/08/31/90/271083190.db2.gz PWUBEXLUBCCDPI-UHFFFAOYSA-N 1 3 323.525 2.927 20 0 DFADHO CN(C)Cc1cccc(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000164418443 271093269 /nfs/dbraw/zinc/09/32/69/271093269.db2.gz LTPIJYCCNBDIRO-ROUUACIJSA-N 1 3 317.477 2.662 20 0 DFADHO CCN(C)c1ccc(CNCc2ccc(C[NH+](C)C)cc2)cn1 ZINC000190698694 427162933 /nfs/dbraw/zinc/16/29/33/427162933.db2.gz GHPFPTVMXBCBCT-UHFFFAOYSA-N 1 3 312.461 2.889 20 0 DFADHO C[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1CCCCCC1 ZINC000175113925 271147858 /nfs/dbraw/zinc/14/78/58/271147858.db2.gz FHOPDZIVJTVTNJ-AWEZNQCLSA-N 1 3 309.498 2.676 20 0 DFADHO C[C@H]([NH2+]CCC1(O)CCC1)c1cccc(OCCN(C)C)c1 ZINC000284284964 427171223 /nfs/dbraw/zinc/17/12/23/427171223.db2.gz HUTBPFKWDBVKSV-HNNXBMFYSA-N 1 3 306.450 2.583 20 0 DFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2ccnc3ccccc32)CC1 ZINC000333712916 271387227 /nfs/dbraw/zinc/38/72/27/271387227.db2.gz SPFVVCUFTHMBIL-QFBILLFUSA-N 1 3 311.429 2.958 20 0 DFADHO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)CS1 ZINC000277343059 427173088 /nfs/dbraw/zinc/17/30/88/427173088.db2.gz VFMVTUQMUQDZSY-HZPDHXFCSA-N 1 3 323.506 2.642 20 0 DFADHO COc1cccc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000190773651 427179358 /nfs/dbraw/zinc/17/93/58/427179358.db2.gz GFUQVCFJWKRZQI-HZPDHXFCSA-N 1 3 305.466 2.938 20 0 DFADHO C[C@@H]1C[C@@H](CCNCc2cncn2C)C[N@@H+]1Cc1ccccc1 ZINC000338196214 427185870 /nfs/dbraw/zinc/18/58/70/427185870.db2.gz NIBNKRDOLYRWHK-SJLPKXTDSA-N 1 3 312.461 2.810 20 0 DFADHO C[C@@H]1C[C@@H](CCNCc2cncn2C)C[N@H+]1Cc1ccccc1 ZINC000338196214 427185876 /nfs/dbraw/zinc/18/58/76/427185876.db2.gz NIBNKRDOLYRWHK-SJLPKXTDSA-N 1 3 312.461 2.810 20 0 DFADHO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284353781 427190236 /nfs/dbraw/zinc/19/02/36/427190236.db2.gz MMLSLGHFEDUJOI-DNVCBOLYSA-N 1 3 318.461 2.674 20 0 DFADHO C[NH+]1CCC(C)(CN[C@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000330269136 427210701 /nfs/dbraw/zinc/21/07/01/427210701.db2.gz RSHKXMKHNDLAMG-HNNXBMFYSA-N 1 3 305.470 2.748 20 0 DFADHO CN(C)CCN1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000285371671 427212402 /nfs/dbraw/zinc/21/24/02/427212402.db2.gz FZCWGPXYZMEYIR-ONEGZZNKSA-N 1 3 323.431 2.594 20 0 DFADHO COc1ccccc1COC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261914633 427344027 /nfs/dbraw/zinc/34/40/27/427344027.db2.gz JQWXBFKLEKNTED-INIZCTEOSA-N 1 3 318.461 2.676 20 0 DFADHO COc1ccccc1COC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000261914633 427344031 /nfs/dbraw/zinc/34/40/31/427344031.db2.gz JQWXBFKLEKNTED-INIZCTEOSA-N 1 3 318.461 2.676 20 0 DFADHO CCc1ccc2nccc(N3CCC([N@H+](C)CCO)CC3)c2c1 ZINC000296990555 427297695 /nfs/dbraw/zinc/29/76/95/427297695.db2.gz FICGTGRIIPJALH-UHFFFAOYSA-N 1 3 313.445 2.690 20 0 DFADHO CCc1ccc2nccc(N3CCC([N@@H+](C)CCO)CC3)c2c1 ZINC000296990555 427297704 /nfs/dbraw/zinc/29/77/04/427297704.db2.gz FICGTGRIIPJALH-UHFFFAOYSA-N 1 3 313.445 2.690 20 0 DFADHO CC[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)N(C)C ZINC000338966054 271627533 /nfs/dbraw/zinc/62/75/33/271627533.db2.gz KXNNSFYPALSPFW-QAPCUYQASA-N 1 3 317.477 2.668 20 0 DFADHO CCO[C@@H]1C[C@@H](NCc2cccc(C[NH+](C)C)c2)[C@@H]1SC ZINC000297313129 427397838 /nfs/dbraw/zinc/39/78/38/427397838.db2.gz BWXIDTJWAIENJY-ZACQAIPSSA-N 1 3 308.491 2.747 20 0 DFADHO CC[N@@H+]1CC[C@H](NCCc2cc(C(F)(F)F)ccn2)[C@@H](C)C1 ZINC000293720767 427413101 /nfs/dbraw/zinc/41/31/01/427413101.db2.gz NQOPCOMYFMDEJW-WFASDCNBSA-N 1 3 315.383 2.963 20 0 DFADHO CC[N@H+]1CC[C@H](NCCc2cc(C(F)(F)F)ccn2)[C@@H](C)C1 ZINC000293720767 427413105 /nfs/dbraw/zinc/41/31/05/427413105.db2.gz NQOPCOMYFMDEJW-WFASDCNBSA-N 1 3 315.383 2.963 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000262326396 427356923 /nfs/dbraw/zinc/35/69/23/427356923.db2.gz XAQSUBNKXCIKRP-RRFJBIMHSA-N 1 3 321.490 2.519 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000262566118 427362336 /nfs/dbraw/zinc/36/23/36/427362336.db2.gz WQIUDWLMGZEAKW-MRXNPFEDSA-N 1 3 303.450 2.999 20 0 DFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000262681455 427366453 /nfs/dbraw/zinc/36/64/53/427366453.db2.gz XMZQTLRIQHYXSU-JQHSSLGASA-N 1 3 317.477 2.703 20 0 DFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000262681455 427366461 /nfs/dbraw/zinc/36/64/61/427366461.db2.gz XMZQTLRIQHYXSU-JQHSSLGASA-N 1 3 317.477 2.703 20 0 DFADHO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1)CN(C)C ZINC000293824250 427449714 /nfs/dbraw/zinc/44/97/14/427449714.db2.gz WGWRKEFWMHSBLK-CHWSQXEVSA-N 1 3 311.857 2.844 20 0 DFADHO C[C@H](CN[C@H](C)CC(=O)Nc1cccc(Cl)c1)C[NH+](C)C ZINC000293824250 427449720 /nfs/dbraw/zinc/44/97/20/427449720.db2.gz WGWRKEFWMHSBLK-CHWSQXEVSA-N 1 3 311.857 2.844 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccccc1-n1ccnn1 ZINC000286227395 427460663 /nfs/dbraw/zinc/46/06/63/427460663.db2.gz SRRNNYDBFSZZQD-XHSDSOJGSA-N 1 3 313.449 2.791 20 0 DFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338778491 427481191 /nfs/dbraw/zinc/48/11/91/427481191.db2.gz FAYHNGQEHYJLQL-YTQUADARSA-N 1 3 315.505 2.794 20 0 DFADHO CC[NH+](CC)[C@@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000271283179 427483651 /nfs/dbraw/zinc/48/36/51/427483651.db2.gz OLNZFMRSGFFTHX-RTBURBONSA-N 1 3 301.478 2.677 20 0 DFADHO O[C@H](CN[C@@H](Cc1ccccc1Cl)C1CC1)C[NH+]1CCCC1 ZINC000293785114 427435575 /nfs/dbraw/zinc/43/55/75/427435575.db2.gz QJUZPWPPICHSQA-AEFFLSMTSA-N 1 3 322.880 2.707 20 0 DFADHO C[C@@H](CO)[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000286150681 427438205 /nfs/dbraw/zinc/43/82/05/427438205.db2.gz PJPBJRBHFDTRAX-JCHJZTRSSA-N 1 3 302.462 2.648 20 0 DFADHO CC[N@@H+]1C[C@H](C)[C@H](N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000338794732 427492424 /nfs/dbraw/zinc/49/24/24/427492424.db2.gz RAQAJNARKJARSN-IAOVAPTHSA-N 1 3 309.885 2.873 20 0 DFADHO CC[N@H+]1C[C@H](C)[C@H](N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000338794732 427492430 /nfs/dbraw/zinc/49/24/30/427492430.db2.gz RAQAJNARKJARSN-IAOVAPTHSA-N 1 3 309.885 2.873 20 0 DFADHO C[C@@H]1C[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C[C@H](C)O1 ZINC000298029969 427506479 /nfs/dbraw/zinc/50/64/79/427506479.db2.gz FTPPAVCOHCSLRH-MUJYYYPQSA-N 1 3 303.450 2.844 20 0 DFADHO CCN1CC[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000271456838 427544558 /nfs/dbraw/zinc/54/45/58/427544558.db2.gz GWCOQPRFNKDVLN-TUKIKUTGSA-N 1 3 314.832 2.832 20 0 DFADHO C[C@H](CO)CCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000271461113 427546944 /nfs/dbraw/zinc/54/69/44/427546944.db2.gz HLXPDLGVEWKGTC-HOTGVXAUSA-N 1 3 308.466 2.686 20 0 DFADHO c1ccc(CN2CC[C@H](N3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000271470970 427552128 /nfs/dbraw/zinc/55/21/28/427552128.db2.gz YYBFGNKKVBNROG-UXHICEINSA-N 1 3 313.489 2.679 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2CCF)ccn1 ZINC000286318461 427490879 /nfs/dbraw/zinc/49/08/79/427490879.db2.gz XUQNUOURYBHDLN-JKSUJKDBSA-N 1 3 309.429 2.640 20 0 DFADHO Cc1ccncc1[C@@H](C)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000271485629 427556954 /nfs/dbraw/zinc/55/69/54/427556954.db2.gz IXCKUQXTLDNIEC-HZPDHXFCSA-N 1 3 303.450 2.542 20 0 DFADHO C[C@@](O)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccsc1 ZINC000298478590 427622925 /nfs/dbraw/zinc/62/29/25/427622925.db2.gz PIIXBULFIUMBRT-QGZVFWFLSA-N 1 3 317.458 2.609 20 0 DFADHO COc1ccccc1[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000271524068 427571724 /nfs/dbraw/zinc/57/17/24/427571724.db2.gz PVULXHYMCRSZII-BMGDILEWSA-N 1 3 318.461 2.724 20 0 DFADHO Cc1ccccc1[C@@H](O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298324556 427572612 /nfs/dbraw/zinc/57/26/12/427572612.db2.gz INVUBPBPSBAROW-IBGZPJMESA-N 1 3 311.429 2.682 20 0 DFADHO CN(C)C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298334756 427574575 /nfs/dbraw/zinc/57/45/75/427574575.db2.gz IZAWFTVSQYYDRX-HXUWFJFHSA-N 1 3 324.472 2.943 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+][C@H]4CCCOC4)[C@H]3C2)cc1 ZINC000287335754 427580634 /nfs/dbraw/zinc/58/06/34/427580634.db2.gz MQVDOLPGWFWASM-CADBVGFASA-N 1 3 300.446 2.666 20 0 DFADHO CN(C)Cc1ccc(-c2noc(CC3CC[NH+](C)CC3)n2)cc1 ZINC000287333463 427581654 /nfs/dbraw/zinc/58/16/54/427581654.db2.gz MNZWWCQHBGTOCK-UHFFFAOYSA-N 1 3 314.433 2.683 20 0 DFADHO C[N@H+]1CC=C(CNCc2c(C3CC3)nc3sccn23)CC1 ZINC000271876135 427590779 /nfs/dbraw/zinc/59/07/79/427590779.db2.gz ZKQYRBUICDNUSM-UHFFFAOYSA-N 1 3 302.447 2.625 20 0 DFADHO C[N@@H+]1CC=C(CNCc2c(C3CC3)nc3sccn23)CC1 ZINC000271876135 427590786 /nfs/dbraw/zinc/59/07/86/427590786.db2.gz ZKQYRBUICDNUSM-UHFFFAOYSA-N 1 3 302.447 2.625 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)NCCN2CCCCC2)cc1 ZINC000298494845 427629907 /nfs/dbraw/zinc/62/99/07/427629907.db2.gz FFCZWHNLUZYAIK-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO O[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1F ZINC000298515991 427635283 /nfs/dbraw/zinc/63/52/83/427635283.db2.gz RGBTUSWIPIRBSK-GOSISDBHSA-N 1 3 315.392 2.513 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2sccc2Cl)CC1 ZINC000193003394 427648774 /nfs/dbraw/zinc/64/87/74/427648774.db2.gz PVENVSFJUIFLTQ-UHFFFAOYSA-N 1 3 315.914 2.909 20 0 DFADHO CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)N(CC)CC ZINC000342565835 272025380 /nfs/dbraw/zinc/02/53/80/272025380.db2.gz HTEIRRNAERXMOU-IKGGRYGDSA-N 1 3 309.498 2.581 20 0 DFADHO CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)N(CC)CC ZINC000342565835 272025381 /nfs/dbraw/zinc/02/53/81/272025381.db2.gz HTEIRRNAERXMOU-IKGGRYGDSA-N 1 3 309.498 2.581 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000342671102 272039984 /nfs/dbraw/zinc/03/99/84/272039984.db2.gz SSMNEPZWPRYORV-QGZVFWFLSA-N 1 3 309.498 2.584 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000342671102 272039987 /nfs/dbraw/zinc/03/99/87/272039987.db2.gz SSMNEPZWPRYORV-QGZVFWFLSA-N 1 3 309.498 2.584 20 0 DFADHO C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000342763363 272052167 /nfs/dbraw/zinc/05/21/67/272052167.db2.gz ZJJNQEZPRIHCHJ-IAGOWNOFSA-N 1 3 321.509 2.584 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)c1ccsc1 ZINC000342765239 272052237 /nfs/dbraw/zinc/05/22/37/272052237.db2.gz MZJUZIVBWAAVRA-CWRNSKLLSA-N 1 3 323.506 2.635 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000342787927 272053773 /nfs/dbraw/zinc/05/37/73/272053773.db2.gz OFFVDKIKJOGJMG-INIZCTEOSA-N 1 3 311.514 2.878 20 0 DFADHO C[NH+](C)C1CCN(CCNCc2cc(Cl)cs2)CC1 ZINC000193138664 427672355 /nfs/dbraw/zinc/67/23/55/427672355.db2.gz JKTDEHKKRYQWSJ-UHFFFAOYSA-N 1 3 301.887 2.517 20 0 DFADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C1(C)C ZINC000344070462 272256716 /nfs/dbraw/zinc/25/67/16/272256716.db2.gz SMUYZBZXZMCGJD-OVYGPGRDSA-N 1 3 312.498 2.525 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CC2(C)C)CC1 ZINC000344414106 272327715 /nfs/dbraw/zinc/32/77/15/272327715.db2.gz ZQCFUIGSFNHTHG-KRWDZBQOSA-N 1 3 301.478 2.964 20 0 DFADHO CC(C)[C@@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000344568251 272339389 /nfs/dbraw/zinc/33/93/89/272339389.db2.gz DMQFFFOBHZJCET-OKZBNKHCSA-N 1 3 323.525 2.732 20 0 DFADHO C[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)N1CCCCCC1 ZINC000345044864 272397702 /nfs/dbraw/zinc/39/77/02/272397702.db2.gz RSOITAWBCKJKBJ-MRXNPFEDSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)N1CCCCCC1 ZINC000345044864 272397705 /nfs/dbraw/zinc/39/77/05/272397705.db2.gz RSOITAWBCKJKBJ-MRXNPFEDSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272278115 427695912 /nfs/dbraw/zinc/69/59/12/427695912.db2.gz CMJONURMUSGRDS-RAUXBKROSA-N 1 3 315.505 2.969 20 0 DFADHO FC(F)Cn1cc(CNCCCCC[NH+]2CCCC2)cn1 ZINC000339501049 427783792 /nfs/dbraw/zinc/78/37/92/427783792.db2.gz UKSFEPCBHCFEGO-UHFFFAOYSA-N 1 3 300.397 2.504 20 0 DFADHO CN(C)CC[NH+]1CCC(Nc2ccnc3cc(F)ccc32)CC1 ZINC000301304250 427787990 /nfs/dbraw/zinc/78/79/90/427787990.db2.gz ZEOSSWJEHPBHNV-UHFFFAOYSA-N 1 3 316.424 2.812 20 0 DFADHO C[NH+](C)CCN1CCC(Nc2ccnc3cc(F)ccc32)CC1 ZINC000301304250 427787993 /nfs/dbraw/zinc/78/79/93/427787993.db2.gz ZEOSSWJEHPBHNV-UHFFFAOYSA-N 1 3 316.424 2.812 20 0 DFADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000193976447 427725394 /nfs/dbraw/zinc/72/53/94/427725394.db2.gz OZWVFRDXBJXSTR-CWQOZTLDSA-N 1 3 306.494 2.902 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000193976447 427725399 /nfs/dbraw/zinc/72/53/99/427725399.db2.gz OZWVFRDXBJXSTR-CWQOZTLDSA-N 1 3 306.494 2.902 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000193976447 427725402 /nfs/dbraw/zinc/72/54/02/427725402.db2.gz OZWVFRDXBJXSTR-CWQOZTLDSA-N 1 3 306.494 2.902 20 0 DFADHO CC[NH+]1CCN(c2ccccc2CN[C@H]2CCC[C@H]2F)CC1 ZINC000339588470 427797481 /nfs/dbraw/zinc/79/74/81/427797481.db2.gz YYCGINFYBNPBHX-SJORKVTESA-N 1 3 305.441 2.809 20 0 DFADHO CC(C)N1CCN(CCC[N@H+](Cc2cccnc2)C(C)C)CC1 ZINC000337306896 427834972 /nfs/dbraw/zinc/83/49/72/427834972.db2.gz VXXFJDMNXSDKHM-UHFFFAOYSA-N 1 3 318.509 2.708 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+](Cc2cccnc2)C(C)C)CC1 ZINC000337306896 427834976 /nfs/dbraw/zinc/83/49/76/427834976.db2.gz VXXFJDMNXSDKHM-UHFFFAOYSA-N 1 3 318.509 2.708 20 0 DFADHO c1ccc(CN2CC[C@H](N3CCC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000355686044 427848148 /nfs/dbraw/zinc/84/81/48/427848148.db2.gz YSMQEZNTXVTMAI-UXHICEINSA-N 1 3 313.489 2.821 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@]1(C)CCCO1 ZINC000340479137 427859091 /nfs/dbraw/zinc/85/90/91/427859091.db2.gz WIPLZLSJZNWYFE-LPHOPBHVSA-N 1 3 320.477 2.717 20 0 DFADHO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000340473221 427857143 /nfs/dbraw/zinc/85/71/43/427857143.db2.gz DNPQTYYLRIXOFO-HNNXBMFYSA-N 1 3 320.477 2.546 20 0 DFADHO CN(CCCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])Cc1ccccc1 ZINC000345693812 427861971 /nfs/dbraw/zinc/86/19/71/427861971.db2.gz OZNSGSGUKAXKRE-IEBWSBKVSA-N 1 3 317.477 2.532 20 0 DFADHO CN1CC=C(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000345696627 427864420 /nfs/dbraw/zinc/86/44/20/427864420.db2.gz WBSWECDHDYENNX-UHFFFAOYSA-N 1 3 308.466 2.738 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340500310 427865867 /nfs/dbraw/zinc/86/58/67/427865867.db2.gz RIAMAXVVJPZEGB-XWTMOSNGSA-N 1 3 321.509 2.725 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340500310 427865873 /nfs/dbraw/zinc/86/58/73/427865873.db2.gz RIAMAXVVJPZEGB-XWTMOSNGSA-N 1 3 321.509 2.725 20 0 DFADHO CC[C@@H](Cn1cncn1)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000340535799 427875576 /nfs/dbraw/zinc/87/55/76/427875576.db2.gz RNDIFCLYLLBYFW-WMZOPIPTSA-N 1 3 315.465 2.557 20 0 DFADHO CC[C@@H](Cn1cncn1)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340535799 427875581 /nfs/dbraw/zinc/87/55/81/427875581.db2.gz RNDIFCLYLLBYFW-WMZOPIPTSA-N 1 3 315.465 2.557 20 0 DFADHO C[NH+]1CCC(C)(CNCc2cnc([C@H]3CCCO3)s2)CC1 ZINC000355775240 427887188 /nfs/dbraw/zinc/88/71/88/427887188.db2.gz PMKBWMNZGYEUFQ-CQSZACIVSA-N 1 3 309.479 2.816 20 0 DFADHO CC[C@H](C)N[C@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1ccco1 ZINC000359543511 427903236 /nfs/dbraw/zinc/90/32/36/427903236.db2.gz NCBKGMBKJLSYFO-RRFJBIMHSA-N 1 3 323.481 2.992 20 0 DFADHO C[C@H](CC1CCOCC1)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000349971455 427911076 /nfs/dbraw/zinc/91/10/76/427911076.db2.gz JQFRLEONTAYULE-XGXHKWSGSA-N 1 3 324.509 2.623 20 0 DFADHO CC[N@H+](CCC1CCN(C[C@H](O)C(F)(F)F)CC1)CC1CC1 ZINC000359570623 427917685 /nfs/dbraw/zinc/91/76/85/427917685.db2.gz IXWRFUTYDZXEIS-HNNXBMFYSA-N 1 3 322.415 2.744 20 0 DFADHO CC[N@@H+](CCC1CCN(C[C@H](O)C(F)(F)F)CC1)CC1CC1 ZINC000359570623 427917687 /nfs/dbraw/zinc/91/76/87/427917687.db2.gz IXWRFUTYDZXEIS-HNNXBMFYSA-N 1 3 322.415 2.744 20 0 DFADHO COC(C)(C)[C@@H](C)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000340480507 427859383 /nfs/dbraw/zinc/85/93/83/427859383.db2.gz PJORIHPCPUVYAJ-OAHLLOKOSA-N 1 3 308.466 2.573 20 0 DFADHO CCN(CC[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340223304 427959130 /nfs/dbraw/zinc/95/91/30/427959130.db2.gz QLNDKMYAUNTWAY-IEBWSBKVSA-N 1 3 301.478 2.896 20 0 DFADHO CC[C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)N(CC)CC ZINC000345990232 427976271 /nfs/dbraw/zinc/97/62/71/427976271.db2.gz YMOXGIQJYAAQER-QGZVFWFLSA-N 1 3 321.465 2.686 20 0 DFADHO CCC[NH+]1CCC(N(C)C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000413204795 427989986 /nfs/dbraw/zinc/98/99/86/427989986.db2.gz AUYKHHUJXLMRGT-JYJNAYRXSA-N 1 3 309.498 2.581 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000359726672 427990420 /nfs/dbraw/zinc/99/04/20/427990420.db2.gz YWTXQNJGGRDWGH-GOSISDBHSA-N 1 3 323.525 2.975 20 0 DFADHO CCCN(CCN1CCCCC1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000359726672 427990423 /nfs/dbraw/zinc/99/04/23/427990423.db2.gz YWTXQNJGGRDWGH-GOSISDBHSA-N 1 3 323.525 2.975 20 0 DFADHO CN1CC[C@@H]([NH2+]CCCN2CCCC2)C[C@@H]1c1ccccc1 ZINC000340183136 427947181 /nfs/dbraw/zinc/94/71/81/427947181.db2.gz VFULALGSNKKQKB-RTBURBONSA-N 1 3 301.478 2.897 20 0 DFADHO CCN1CCC[C@@H]1C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340180312 427948215 /nfs/dbraw/zinc/94/82/15/427948215.db2.gz HKNXPBOQXHJMFQ-IPMKNSEASA-N 1 3 301.478 2.896 20 0 DFADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000340914157 427951033 /nfs/dbraw/zinc/95/10/33/427951033.db2.gz LVBQHLAJPDFFTL-HOTGVXAUSA-N 1 3 317.481 2.667 20 0 DFADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000340914157 427951037 /nfs/dbraw/zinc/95/10/37/427951037.db2.gz LVBQHLAJPDFFTL-HOTGVXAUSA-N 1 3 317.481 2.667 20 0 DFADHO CC[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)[NH+](CC)CC ZINC000345925567 427952310 /nfs/dbraw/zinc/95/23/10/427952310.db2.gz DCUSRHKZIQFCSO-SJORKVTESA-N 1 3 305.466 2.526 20 0 DFADHO CN(CCN1CCC(C[NH+](C)C)CC1)Cc1ccc(F)cc1 ZINC000359828350 428035238 /nfs/dbraw/zinc/03/52/38/428035238.db2.gz FCMXQCJDEQSEJH-UHFFFAOYSA-N 1 3 307.457 2.531 20 0 DFADHO COc1ccc(CN2CCC(C[NH+](C)C)CC2)c(C)c1OC ZINC000347591804 272805050 /nfs/dbraw/zinc/80/50/50/272805050.db2.gz PJQXLTRCUBSWIO-UHFFFAOYSA-N 1 3 306.450 2.786 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H](NCC3=CCCOC3)C[C@H]2C2CC2)cc1 ZINC000376824991 428007021 /nfs/dbraw/zinc/00/70/21/428007021.db2.gz ZMXGHGVOQPIJHF-PMACEKPBSA-N 1 3 312.457 2.976 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H](NCC3=CCCOC3)C[C@H]2C2CC2)cc1 ZINC000376824991 428007027 /nfs/dbraw/zinc/00/70/27/428007027.db2.gz ZMXGHGVOQPIJHF-PMACEKPBSA-N 1 3 312.457 2.976 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000359778304 428015399 /nfs/dbraw/zinc/01/53/99/428015399.db2.gz NIEGIPSJHUTBTR-HNNXBMFYSA-N 1 3 305.466 2.598 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000359778304 428015402 /nfs/dbraw/zinc/01/54/02/428015402.db2.gz NIEGIPSJHUTBTR-HNNXBMFYSA-N 1 3 305.466 2.598 20 0 DFADHO Cn1cc(CNCC2=CC[N@H+](C)CC2)c(-c2cccs2)n1 ZINC000359909953 428073383 /nfs/dbraw/zinc/07/33/83/428073383.db2.gz ZKFRKVHWYKRVQS-UHFFFAOYSA-N 1 3 302.447 2.500 20 0 DFADHO Cn1cc(CNCC2=CC[N@@H+](C)CC2)c(-c2cccs2)n1 ZINC000359909953 428073386 /nfs/dbraw/zinc/07/33/86/428073386.db2.gz ZKFRKVHWYKRVQS-UHFFFAOYSA-N 1 3 302.447 2.500 20 0 DFADHO Cn1cc(C[NH2+]CC2=CCN(C)CC2)c(-c2cccs2)n1 ZINC000359909953 428073390 /nfs/dbraw/zinc/07/33/90/428073390.db2.gz ZKFRKVHWYKRVQS-UHFFFAOYSA-N 1 3 302.447 2.500 20 0 DFADHO CCCN1CCC([NH2+]Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000359962542 428093649 /nfs/dbraw/zinc/09/36/49/428093649.db2.gz FHINDZQNHDWNHJ-UHFFFAOYSA-N 1 3 304.482 2.890 20 0 DFADHO CN1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@@H]1c1ccccc1 ZINC000377358320 428113133 /nfs/dbraw/zinc/11/31/33/428113133.db2.gz NCVYLYLYVCSZKI-BGVWBIDGSA-N 1 3 313.489 2.894 20 0 DFADHO CC[C@@H](C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)N(C)C ZINC000413717075 428117763 /nfs/dbraw/zinc/11/77/63/428117763.db2.gz VLBCSKFDAWYRAB-MSOLQXFVSA-N 1 3 319.493 2.599 20 0 DFADHO CC[C@@H](C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)N(C)C ZINC000413717075 428117765 /nfs/dbraw/zinc/11/77/65/428117765.db2.gz VLBCSKFDAWYRAB-MSOLQXFVSA-N 1 3 319.493 2.599 20 0 DFADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000360027742 428125978 /nfs/dbraw/zinc/12/59/78/428125978.db2.gz OEDUBXUFULEGOL-DOTOQJQBSA-N 1 3 318.461 2.805 20 0 DFADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000360027742 428125983 /nfs/dbraw/zinc/12/59/83/428125983.db2.gz OEDUBXUFULEGOL-DOTOQJQBSA-N 1 3 318.461 2.805 20 0 DFADHO CN(CCN1CC[NH+](CCC2CC2)CC1)Cc1ccccc1 ZINC000360058169 428138525 /nfs/dbraw/zinc/13/85/25/428138525.db2.gz WOIZMSRMSCEHDL-UHFFFAOYSA-N 1 3 301.478 2.536 20 0 DFADHO c1cc(CCCN2CCC[C@@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC000352540454 428142596 /nfs/dbraw/zinc/14/25/96/428142596.db2.gz LIEPMXBVGHUGQP-IBGZPJMESA-N 1 3 300.446 2.630 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000346374799 428147322 /nfs/dbraw/zinc/14/73/22/428147322.db2.gz BMJCPZGBDREXHA-GOEBONIOSA-N 1 3 303.450 2.725 20 0 DFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000346374799 428147328 /nfs/dbraw/zinc/14/73/28/428147328.db2.gz BMJCPZGBDREXHA-GOEBONIOSA-N 1 3 303.450 2.725 20 0 DFADHO Cc1ccc(O)c(CNC[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000377758244 428218677 /nfs/dbraw/zinc/21/86/77/428218677.db2.gz BYOHNZNJLSIGQU-LPHOPBHVSA-N 1 3 311.429 2.878 20 0 DFADHO Cc1ccc(O)c(CNC[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000377758244 428218680 /nfs/dbraw/zinc/21/86/80/428218680.db2.gz BYOHNZNJLSIGQU-LPHOPBHVSA-N 1 3 311.429 2.878 20 0 DFADHO C[N@@H+]1CCC[C@H](CCN[C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000414203564 428232712 /nfs/dbraw/zinc/23/27/12/428232712.db2.gz ZMAHWBZBQSELPU-CJNGLKHVSA-N 1 3 319.424 2.921 20 0 DFADHO C[N@H+]1CCC[C@H](CCN[C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000414203564 428232716 /nfs/dbraw/zinc/23/27/16/428232716.db2.gz ZMAHWBZBQSELPU-CJNGLKHVSA-N 1 3 319.424 2.921 20 0 DFADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(C[NH3+])CC1 ZINC000346604133 428235745 /nfs/dbraw/zinc/23/57/45/428235745.db2.gz AFOSMMNWXGLPSM-UHFFFAOYSA-N 1 3 312.461 2.719 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C)N1CCCCC1 ZINC000377662073 428187306 /nfs/dbraw/zinc/18/73/06/428187306.db2.gz LVFPJNBWKOZATK-KZNAEPCWSA-N 1 3 321.509 2.582 20 0 DFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C)N1CCCCC1 ZINC000377662073 428187310 /nfs/dbraw/zinc/18/73/10/428187310.db2.gz LVFPJNBWKOZATK-KZNAEPCWSA-N 1 3 321.509 2.582 20 0 DFADHO COc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)c(C)c1 ZINC000414063274 428192448 /nfs/dbraw/zinc/19/24/48/428192448.db2.gz DNORYPPQNIIFNN-HNNXBMFYSA-N 1 3 306.450 2.501 20 0 DFADHO C[N@H+](Cc1cccc2nccn21)C1CCN(c2ccncc2)CC1 ZINC000377694779 428198102 /nfs/dbraw/zinc/19/81/02/428198102.db2.gz HWWROCHCXLGUIQ-UHFFFAOYSA-N 1 3 321.428 2.830 20 0 DFADHO C[N@@H+](Cc1cccc2nccn21)C1CCN(c2ccncc2)CC1 ZINC000377694779 428198112 /nfs/dbraw/zinc/19/81/12/428198112.db2.gz HWWROCHCXLGUIQ-UHFFFAOYSA-N 1 3 321.428 2.830 20 0 DFADHO c1cc2c(cc1CCCN[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)OCCO2 ZINC000414376330 428276516 /nfs/dbraw/zinc/27/65/16/428276516.db2.gz HGMXKKLYTWWANJ-IAGOWNOFSA-N 1 3 316.445 2.607 20 0 DFADHO c1cc2c(cc1CCCN[C@@H]1CC[N@H+]3CCC[C@@H]3C1)OCCO2 ZINC000414376330 428276520 /nfs/dbraw/zinc/27/65/20/428276520.db2.gz HGMXKKLYTWWANJ-IAGOWNOFSA-N 1 3 316.445 2.607 20 0 DFADHO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370709061 428281612 /nfs/dbraw/zinc/28/16/12/428281612.db2.gz IMGHEMABMJDVMB-QFBILLFUSA-N 1 3 319.468 2.592 20 0 DFADHO Cc1cc(F)ccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370709061 428281618 /nfs/dbraw/zinc/28/16/18/428281618.db2.gz IMGHEMABMJDVMB-QFBILLFUSA-N 1 3 319.468 2.592 20 0 DFADHO CN1CCN(CC[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1(C)C ZINC000352873626 428288899 /nfs/dbraw/zinc/28/88/99/428288899.db2.gz YBCUNDDPEGHCOX-PLNGDYQASA-N 1 3 323.431 2.594 20 0 DFADHO Cc1ccc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000414431076 428294811 /nfs/dbraw/zinc/29/48/11/428294811.db2.gz KQMRXMUHZBMZRS-UHFFFAOYSA-N 1 3 311.433 2.528 20 0 DFADHO CCC[NH+]1CCC(N[C@@H]2CCc3cn(C(C)C)nc3C2)CC1 ZINC000341879385 428242152 /nfs/dbraw/zinc/24/21/52/428242152.db2.gz UNMCWUZVCFTEAM-QGZVFWFLSA-N 1 3 304.482 2.785 20 0 DFADHO COc1cccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1F ZINC000377886282 428256863 /nfs/dbraw/zinc/25/68/63/428256863.db2.gz ZZCDKSMFDPVHPZ-OAHLLOKOSA-N 1 3 306.425 2.998 20 0 DFADHO CC[C@H]1CC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414310349 428258118 /nfs/dbraw/zinc/25/81/18/428258118.db2.gz SWCLKPIHPBLPCL-ROUUACIJSA-N 1 3 302.462 2.792 20 0 DFADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370635736 428259921 /nfs/dbraw/zinc/25/99/21/428259921.db2.gz PTKDVXHJHUBLRX-DOTOQJQBSA-N 1 3 317.477 2.514 20 0 DFADHO Cc1csc(N2CCC[N@@H+](CC[C@H]3CCCCN3C)CC2)n1 ZINC000378125368 428314413 /nfs/dbraw/zinc/31/44/13/428314413.db2.gz IBZMAVBEYFEBFZ-MRXNPFEDSA-N 1 3 322.522 2.838 20 0 DFADHO Cc1csc(N2CCC[N@H+](CC[C@H]3CCCCN3C)CC2)n1 ZINC000378125368 428314415 /nfs/dbraw/zinc/31/44/15/428314415.db2.gz IBZMAVBEYFEBFZ-MRXNPFEDSA-N 1 3 322.522 2.838 20 0 DFADHO CO[C@](C)([C@H](C)[NH2+]C1CCN(c2ccncc2)CC1)C1CC1 ZINC000414498665 428320951 /nfs/dbraw/zinc/32/09/51/428320951.db2.gz INBARJHBXKTIHM-KBXCAEBGSA-N 1 3 303.450 2.844 20 0 DFADHO CCCN(CC[NH+]1CCCC1)C(=O)c1cccc(CN(C)C)c1 ZINC000342155760 428324790 /nfs/dbraw/zinc/32/47/90/428324790.db2.gz FFOAHZFLYDOJAI-UHFFFAOYSA-N 1 3 317.477 2.696 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000346804836 428325507 /nfs/dbraw/zinc/32/55/07/428325507.db2.gz YFFWIWOAPVDYML-TXPKVOOTSA-N 1 3 319.493 2.760 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1OCCN(C)C)[C@H]1CCCOC1 ZINC000356848846 428338313 /nfs/dbraw/zinc/33/83/13/428338313.db2.gz PDQFDEUXSJCSEQ-RDJZCZTQSA-N 1 3 306.450 2.532 20 0 DFADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356872832 428343079 /nfs/dbraw/zinc/34/30/79/428343079.db2.gz PHSUAROHTOQYBS-GJZGRUSLSA-N 1 3 321.431 2.866 20 0 DFADHO C[C@@H]1[NH2+]CCC[C@@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000414620851 428356411 /nfs/dbraw/zinc/35/64/11/428356411.db2.gz LNXFQYBCVARBQW-WFASDCNBSA-N 1 3 300.406 2.654 20 0 DFADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414736877 428390856 /nfs/dbraw/zinc/39/08/56/428390856.db2.gz GUIYRSKPEYKKQN-HOTGVXAUSA-N 1 3 324.538 2.579 20 0 DFADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000414737281 428390937 /nfs/dbraw/zinc/39/09/37/428390937.db2.gz NMJILZCPYNRUIH-HNNXBMFYSA-N 1 3 316.424 2.881 20 0 DFADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414736880 428391170 /nfs/dbraw/zinc/39/11/70/428391170.db2.gz GUIYRSKPEYKKQN-JKSUJKDBSA-N 1 3 324.538 2.579 20 0 DFADHO c1cn2c(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)c(C3CC3)nc2s1 ZINC000414766914 428398321 /nfs/dbraw/zinc/39/83/21/428398321.db2.gz ITAGYZZQTBPNEE-OKILXGFUSA-N 1 3 316.474 2.705 20 0 DFADHO C[C@H](C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000414774065 428400485 /nfs/dbraw/zinc/40/04/85/428400485.db2.gz FDPLXHZQGAUMCE-ZBFHGGJFSA-N 1 3 306.425 2.617 20 0 DFADHO C[C@H](C[N@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000414774065 428400491 /nfs/dbraw/zinc/40/04/91/428400491.db2.gz FDPLXHZQGAUMCE-ZBFHGGJFSA-N 1 3 306.425 2.617 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCc2ccccc2F)C1 ZINC000346995502 428400725 /nfs/dbraw/zinc/40/07/25/428400725.db2.gz WNRJXUXIWFEONT-QGZVFWFLSA-N 1 3 308.441 2.801 20 0 DFADHO COC(=O)c1ccc(Cl)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414775092 428400878 /nfs/dbraw/zinc/40/08/78/428400878.db2.gz ZHDXQRWISHVONV-OKILXGFUSA-N 1 3 322.836 2.558 20 0 DFADHO c1nc([C@@H]2CCCO2)sc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414773078 428401335 /nfs/dbraw/zinc/40/13/35/428401335.db2.gz CTYDDMYRJAPCLL-LZWOXQAQSA-N 1 3 321.490 2.816 20 0 DFADHO CC(C)c1ccc(NC(=O)C[C@H](C)NC2CC[NH2+]CC2)cc1 ZINC000414783268 428407256 /nfs/dbraw/zinc/40/72/56/428407256.db2.gz QJOKISKBJPPKRR-AWEZNQCLSA-N 1 3 303.450 2.869 20 0 DFADHO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C2CCNCC2)cc1 ZINC000414783268 428407262 /nfs/dbraw/zinc/40/72/62/428407262.db2.gz QJOKISKBJPPKRR-AWEZNQCLSA-N 1 3 303.450 2.869 20 0 DFADHO c1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n(-c2ccccc2)n1 ZINC000414783144 428408110 /nfs/dbraw/zinc/40/81/10/428408110.db2.gz PKCWOJIVEWNVJM-IRXDYDNUSA-N 1 3 310.445 2.694 20 0 DFADHO [NH3+]C[C@@H]1CN(Cc2ccc(C(F)F)cc2)CC12CCOCC2 ZINC000414788889 428408906 /nfs/dbraw/zinc/40/89/06/428408906.db2.gz XLRWSTIRDPGGDQ-OAHLLOKOSA-N 1 3 310.388 2.812 20 0 DFADHO NC[C@@H]1C[N@H+](CCCCOc2ccccc2)CC12CCOCC2 ZINC000414789680 428409690 /nfs/dbraw/zinc/40/96/90/428409690.db2.gz YLDQRYHQUJNNSZ-QGZVFWFLSA-N 1 3 318.461 2.533 20 0 DFADHO NC[C@@H]1C[N@@H+](CCCCOc2ccccc2)CC12CCOCC2 ZINC000414789680 428409694 /nfs/dbraw/zinc/40/96/94/428409694.db2.gz YLDQRYHQUJNNSZ-QGZVFWFLSA-N 1 3 318.461 2.533 20 0 DFADHO c1[nH]c(-c2ccccc2)nc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789270 428411425 /nfs/dbraw/zinc/41/14/25/428411425.db2.gz YHKNACVJYJHUHW-IRXDYDNUSA-N 1 3 310.445 2.898 20 0 DFADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000414794159 428413226 /nfs/dbraw/zinc/41/32/26/428413226.db2.gz FHGGVECMNXOYOY-OCCSQVGLSA-N 1 3 307.404 2.510 20 0 DFADHO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccc(OCCN(C)C)cc1 ZINC000346893656 428362113 /nfs/dbraw/zinc/36/21/13/428362113.db2.gz YBIDQMHFULIQHM-CVEARBPZSA-N 1 3 306.450 2.704 20 0 DFADHO CC[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)C1(C(=O)OC)CCC1 ZINC000346894716 428363146 /nfs/dbraw/zinc/36/31/46/428363146.db2.gz YTIOJEHBNHWTAT-HZPDHXFCSA-N 1 3 310.482 2.962 20 0 DFADHO CC[C@@H](NCC[C@@H](C)[NH+]1CCCCC1)C1(C(=O)OC)CCC1 ZINC000346894716 428363150 /nfs/dbraw/zinc/36/31/50/428363150.db2.gz YTIOJEHBNHWTAT-HZPDHXFCSA-N 1 3 310.482 2.962 20 0 DFADHO Cc1cccc(CN2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414672567 428369702 /nfs/dbraw/zinc/36/97/02/428369702.db2.gz ATNFYYRQSHVZBI-MJGOQNOKSA-N 1 3 301.478 2.501 20 0 DFADHO C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414670247 428370300 /nfs/dbraw/zinc/37/03/00/428370300.db2.gz CSROAWDXTGIETD-KGLIPLIRSA-N 1 3 323.868 2.530 20 0 DFADHO C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414670247 428370305 /nfs/dbraw/zinc/37/03/05/428370305.db2.gz CSROAWDXTGIETD-KGLIPLIRSA-N 1 3 323.868 2.530 20 0 DFADHO C[C@@H]1C[C@@H](CN2CCN(Cc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414672328 428370892 /nfs/dbraw/zinc/37/08/92/428370892.db2.gz HFJDCJUUMUMWET-CVEARBPZSA-N 1 3 321.896 2.846 20 0 DFADHO C[C@H]1C[C@@H](CN2CCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414677344 428374055 /nfs/dbraw/zinc/37/40/55/428374055.db2.gz IZARNXULWRBIKM-RDJZCZTQSA-N 1 3 321.896 2.846 20 0 DFADHO Cc1cc(C)n(C[C@@H]2CCCCN2CC[C@@H]2CCC[N@H+]2C)n1 ZINC000371205844 428378989 /nfs/dbraw/zinc/37/89/89/428378989.db2.gz VMJJALJREMXLAV-ROUUACIJSA-N 1 3 304.482 2.839 20 0 DFADHO Cc1cc(C)n(C[C@@H]2CCCCN2CC[C@@H]2CCC[N@@H+]2C)n1 ZINC000371205844 428378994 /nfs/dbraw/zinc/37/89/94/428378994.db2.gz VMJJALJREMXLAV-ROUUACIJSA-N 1 3 304.482 2.839 20 0 DFADHO [NH3+]C[C@@H]1CN(CCSCc2ccccc2)CC12CCOCC2 ZINC000414790484 428413631 /nfs/dbraw/zinc/41/36/31/428413631.db2.gz ZXEVQIMCCXHNCX-QGZVFWFLSA-N 1 3 320.502 2.607 20 0 DFADHO NC[C@@H]1C[N@H+](CCSCc2ccccc2)CC12CCOCC2 ZINC000414790484 428413637 /nfs/dbraw/zinc/41/36/37/428413637.db2.gz ZXEVQIMCCXHNCX-QGZVFWFLSA-N 1 3 320.502 2.607 20 0 DFADHO NC[C@@H]1C[N@@H+](CCSCc2ccccc2)CC12CCOCC2 ZINC000414790484 428413642 /nfs/dbraw/zinc/41/36/42/428413642.db2.gz ZXEVQIMCCXHNCX-QGZVFWFLSA-N 1 3 320.502 2.607 20 0 DFADHO CCCNC(=O)[C@@H](C)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357070732 428380071 /nfs/dbraw/zinc/38/00/71/428380071.db2.gz APUTUWBAEYKRLR-MRXNPFEDSA-N 1 3 323.525 2.735 20 0 DFADHO CCCNC(=O)[C@@H](C)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357070732 428380076 /nfs/dbraw/zinc/38/00/76/428380076.db2.gz APUTUWBAEYKRLR-MRXNPFEDSA-N 1 3 323.525 2.735 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cccc2[nH]ccc21 ZINC000378367795 428381354 /nfs/dbraw/zinc/38/13/54/428381354.db2.gz DYGBPWZUQLKWBT-ATZDWAIDSA-N 1 3 313.445 2.851 20 0 DFADHO C[C@@H]1C[C@@H](CN2CCO[C@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC000414702400 428381389 /nfs/dbraw/zinc/38/13/89/428381389.db2.gz BJIVGDKPAZXEDY-NZSAHSFTSA-N 1 3 302.462 2.708 20 0 DFADHO COc1cc2c(cc1OC)CC[NH+](CC[C@H]1CCCN1C)CC2 ZINC000371325282 428381526 /nfs/dbraw/zinc/38/15/26/428381526.db2.gz DJLQQUFUGIHWNM-QGZVFWFLSA-N 1 3 318.461 2.589 20 0 DFADHO C[C@@H](c1ccsc1)N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414714863 428383268 /nfs/dbraw/zinc/38/32/68/428383268.db2.gz QLAYUEOWCFUBLD-PMPSAXMXSA-N 1 3 307.507 2.815 20 0 DFADHO CCN(CC)C(=O)CCC1CC[NH+](C[C@@H](N)CC(C)C)CC1 ZINC000414713354 428384119 /nfs/dbraw/zinc/38/41/19/428384119.db2.gz OYOJEQCNRCXPCD-KRWDZBQOSA-N 1 3 311.514 2.720 20 0 DFADHO C[C@@H]1C[C@@H](CN2CCc3c(cnn3-c3ccccc3)C2)CC[NH2+]1 ZINC000414713062 428384150 /nfs/dbraw/zinc/38/41/50/428384150.db2.gz VQQWUIFWQDRTFR-CVEARBPZSA-N 1 3 310.445 2.619 20 0 DFADHO COc1c(C)cnc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1C ZINC000357092765 428384687 /nfs/dbraw/zinc/38/46/87/428384687.db2.gz XLHCXSDLPBTCRN-MRXNPFEDSA-N 1 3 303.450 2.529 20 0 DFADHO COc1cccc(CNCC[C@H]2CCC[NH2+]C2)c1OC(F)F ZINC000414854509 428433583 /nfs/dbraw/zinc/43/35/83/428433583.db2.gz UJHPGJROPYELLR-GFCCVEGCSA-N 1 3 314.376 2.776 20 0 DFADHO [NH3+]C[C@H](NC1CCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC000414852214 428433751 /nfs/dbraw/zinc/43/37/51/428433751.db2.gz QNAVVSMSHNDCLH-AWEZNQCLSA-N 1 3 307.404 2.510 20 0 DFADHO [NH3+]C[C@@H](NC1CCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC000414852215 428433835 /nfs/dbraw/zinc/43/38/35/428433835.db2.gz QNAVVSMSHNDCLH-CQSZACIVSA-N 1 3 307.404 2.510 20 0 DFADHO [NH3+]C[C@H]1CCN(Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347075967 428434914 /nfs/dbraw/zinc/43/49/14/428434914.db2.gz UVMGNEINHCSNFR-MRXNPFEDSA-N 1 3 306.413 2.806 20 0 DFADHO CSC1(CNCc2ccc(F)c(F)c2)CC[NH+](C)CC1 ZINC000353217641 428435295 /nfs/dbraw/zinc/43/52/95/428435295.db2.gz ZOEKGWOVFWGDMQ-UHFFFAOYSA-N 1 3 300.418 2.882 20 0 DFADHO CSC1(C[NH2+]Cc2ccc(F)c(F)c2)CCN(C)CC1 ZINC000353217641 428435299 /nfs/dbraw/zinc/43/52/99/428435299.db2.gz ZOEKGWOVFWGDMQ-UHFFFAOYSA-N 1 3 300.418 2.882 20 0 DFADHO COc1cc(CNC[C@@H](C)C[NH3+])ccc1OCc1ccccc1 ZINC000414869641 428439589 /nfs/dbraw/zinc/43/95/89/428439589.db2.gz BBCMBQCDMAVVJJ-HNNXBMFYSA-N 1 3 314.429 2.959 20 0 DFADHO COCCCOc1cccc(CN2CCC([C@H](C)[NH3+])CC2)c1 ZINC000347098504 428445354 /nfs/dbraw/zinc/44/53/54/428445354.db2.gz IVWIIALROXFMRB-HNNXBMFYSA-N 1 3 306.450 2.661 20 0 DFADHO Cc1nc(COc2ccc(C[NH2+]C[C@H](N)C3CC3)cc2)cs1 ZINC000414895839 428450233 /nfs/dbraw/zinc/45/02/33/428450233.db2.gz ZYOHWKZSBGPEIM-KRWDZBQOSA-N 1 3 317.458 2.857 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NCC[C@H]1CCC[NH2+]1 ZINC000414910449 428454137 /nfs/dbraw/zinc/45/41/37/428454137.db2.gz VNGSBEQPNMHSLK-GXTWGEPZSA-N 1 3 309.841 2.789 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414920065 428457361 /nfs/dbraw/zinc/45/73/61/428457361.db2.gz YLCKYERDFOGZKZ-QZTJIDSGSA-N 1 3 308.441 2.753 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414920065 428457364 /nfs/dbraw/zinc/45/73/64/428457364.db2.gz YLCKYERDFOGZKZ-QZTJIDSGSA-N 1 3 308.441 2.753 20 0 DFADHO CCN1CCN(c2ccccc2CNc2ccc(C[NH3+])cc2)CC1 ZINC000414918071 428457853 /nfs/dbraw/zinc/45/78/53/428457853.db2.gz XIRAGRKXBLYRML-UHFFFAOYSA-N 1 3 324.472 2.899 20 0 DFADHO COc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC(F)F ZINC000414924315 428458966 /nfs/dbraw/zinc/45/89/66/428458966.db2.gz JTDBRDKYPCLGPY-VXGBXAGGSA-N 1 3 300.349 2.656 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)N[C@H]1CCC[NH2+][C@H]1C ZINC000414936686 428462879 /nfs/dbraw/zinc/46/28/79/428462879.db2.gz DBVFCUBNAPPEBF-IMJJTQAJSA-N 1 3 306.450 2.755 20 0 DFADHO C[C@H](CN)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414938560 428463014 /nfs/dbraw/zinc/46/30/14/428463014.db2.gz XQMFSRMSGLCWKN-SSDOTTSWSA-N 1 3 322.044 2.648 20 0 DFADHO COc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OC(F)F ZINC000414936264 428463080 /nfs/dbraw/zinc/46/30/80/428463080.db2.gz ZDXQGRBDNLEDND-VXGBXAGGSA-N 1 3 300.349 2.656 20 0 DFADHO [NH3+]C[C@H](NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000414797228 428415866 /nfs/dbraw/zinc/41/58/66/428415866.db2.gz IKKPYGKRTGXRKT-KRWDZBQOSA-N 1 3 307.869 2.631 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000347031513 428416050 /nfs/dbraw/zinc/41/60/50/428416050.db2.gz CCYXPOSHNMYLGL-HUUCEWRRSA-N 1 3 311.514 2.780 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414811012 428419584 /nfs/dbraw/zinc/41/95/84/428419584.db2.gz VWBVDZRMEVPQIT-IOASZLSFSA-N 1 3 307.413 2.650 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414811012 428419591 /nfs/dbraw/zinc/41/95/91/428419591.db2.gz VWBVDZRMEVPQIT-IOASZLSFSA-N 1 3 307.413 2.650 20 0 DFADHO CC(C)([NH3+])CNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414808042 428419660 /nfs/dbraw/zinc/41/96/60/428419660.db2.gz SBHDQIDFQXWWFI-UHFFFAOYSA-N 1 3 313.848 2.770 20 0 DFADHO CC(C)(N)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414808042 428419665 /nfs/dbraw/zinc/41/96/65/428419665.db2.gz SBHDQIDFQXWWFI-UHFFFAOYSA-N 1 3 313.848 2.770 20 0 DFADHO Fc1ccc(CNCC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000414826809 428423847 /nfs/dbraw/zinc/42/38/47/428423847.db2.gz GEKXWGGNUYGISG-SNVBAGLBSA-N 1 3 301.203 2.677 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1F)NCC[C@H](C)[NH3+] ZINC000414825187 428424074 /nfs/dbraw/zinc/42/40/74/428424074.db2.gz SBWZKOILDDPERT-VHSXEESVSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC[C@H](C)N ZINC000414825187 428424079 /nfs/dbraw/zinc/42/40/79/428424079.db2.gz SBWZKOILDDPERT-VHSXEESVSA-N 1 3 303.219 2.846 20 0 DFADHO C[NH+]1CCC2(CCCN2Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000378569762 428428042 /nfs/dbraw/zinc/42/80/42/428428042.db2.gz HQNOKRJAICCNSW-UHFFFAOYSA-N 1 3 300.406 2.730 20 0 DFADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000378569762 428428046 /nfs/dbraw/zinc/42/80/46/428428046.db2.gz HQNOKRJAICCNSW-UHFFFAOYSA-N 1 3 300.406 2.730 20 0 DFADHO CN1CCC2(CCC[N@H+]2Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000378569762 428428051 /nfs/dbraw/zinc/42/80/51/428428051.db2.gz HQNOKRJAICCNSW-UHFFFAOYSA-N 1 3 300.406 2.730 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414838074 428429389 /nfs/dbraw/zinc/42/93/89/428429389.db2.gz KTFFURVBZYLWQE-AAEUAGOBSA-N 1 3 311.857 2.811 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NC[C@@H]2CCC[NH2+]C2)c1C ZINC000414841036 428429617 /nfs/dbraw/zinc/42/96/17/428429617.db2.gz YUCBOFGDNFDRBR-GOEBONIOSA-N 1 3 303.450 2.610 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCNC2)c1C ZINC000414841036 428429624 /nfs/dbraw/zinc/42/96/24/428429624.db2.gz YUCBOFGDNFDRBR-GOEBONIOSA-N 1 3 303.450 2.610 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000414853007 428433384 /nfs/dbraw/zinc/43/33/84/428433384.db2.gz KKQGFXNBNAMRBZ-GVDBMIGSSA-N 1 3 317.477 2.998 20 0 DFADHO COCC1(CNCc2ncc(C(C)(C)C)s2)CC[NH2+]CC1 ZINC000414982503 428480784 /nfs/dbraw/zinc/48/07/84/428480784.db2.gz YGBNVSHITUPVGM-UHFFFAOYSA-N 1 3 311.495 2.546 20 0 DFADHO CC[C@H]([NH3+])CN[C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414996248 428483162 /nfs/dbraw/zinc/48/31/62/428483162.db2.gz XGVKHYUUHJILPG-KOLCDFICSA-N 1 3 303.219 2.846 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CNCCC2(F)F)CC1 ZINC000415000530 428486070 /nfs/dbraw/zinc/48/60/70/428486070.db2.gz LFXFVNOSFIWHKJ-FVQBIDKESA-N 1 3 315.452 2.616 20 0 DFADHO CCOc1cccc(CN[C@H](C)CCC[NH3+])c1OC(F)F ZINC000415027717 428493849 /nfs/dbraw/zinc/49/38/49/428493849.db2.gz XHHLUDCGCAOSDU-LLVKDONJSA-N 1 3 302.365 2.904 20 0 DFADHO [NH3+]C[C@H]1CC[C@@H](NCc2csc(COc3ccccc3)n2)C1 ZINC000415036860 428496405 /nfs/dbraw/zinc/49/64/05/428496405.db2.gz LSUZDARCAHROLE-UONOGXRCSA-N 1 3 317.458 2.939 20 0 DFADHO CC1(c2ccccc2)CCC(NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000415041769 428497279 /nfs/dbraw/zinc/49/72/79/428497279.db2.gz PWEIODGILWQSDK-XBMUEBEBSA-N 1 3 302.462 2.855 20 0 DFADHO c1cn(-c2csc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2)cn1 ZINC000415041435 428498746 /nfs/dbraw/zinc/49/87/46/428498746.db2.gz LKIWTENLLLCINH-YOEHRIQHSA-N 1 3 316.474 2.898 20 0 DFADHO c1cn(-c2csc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2)cn1 ZINC000415041426 428498958 /nfs/dbraw/zinc/49/89/58/428498958.db2.gz LKIWTENLLLCINH-RHSMWYFYSA-N 1 3 316.474 2.898 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000360948982 428503321 /nfs/dbraw/zinc/50/33/21/428503321.db2.gz XZRGRBGNKKMGIW-JFIYKMOQSA-N 1 3 321.534 2.890 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NCCC[NH2+]C1CC1 ZINC000415064176 428505581 /nfs/dbraw/zinc/50/55/81/428505581.db2.gz BUULFUNSLMSACQ-LBPRGKRZSA-N 1 3 309.841 2.789 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCCNC1CC1 ZINC000415064176 428505587 /nfs/dbraw/zinc/50/55/87/428505587.db2.gz BUULFUNSLMSACQ-LBPRGKRZSA-N 1 3 309.841 2.789 20 0 DFADHO COc1ccc(C)cc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415129621 428531492 /nfs/dbraw/zinc/53/14/92/428531492.db2.gz VMMHBHQIVCVORP-MJGOQNOKSA-N 1 3 318.461 2.722 20 0 DFADHO Clc1ccccc1C1(C[NH2+]C[C@@H]2CCCNC2)CCOCC1 ZINC000415075362 428510726 /nfs/dbraw/zinc/51/07/26/428510726.db2.gz DUWPZGFDWABHHZ-OAHLLOKOSA-N 1 3 322.880 2.977 20 0 DFADHO Clc1ccccc1C1(CNC[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000415075362 428510732 /nfs/dbraw/zinc/51/07/32/428510732.db2.gz DUWPZGFDWABHHZ-OAHLLOKOSA-N 1 3 322.880 2.977 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)N[C@H](C[NH3+])C1CCCC1 ZINC000415071247 428510973 /nfs/dbraw/zinc/51/09/73/428510973.db2.gz WHMRLTMEROEIEZ-RHSMWYFYSA-N 1 3 303.450 2.819 20 0 DFADHO C[C@H](NCCCc1nc(-c2ccncc2)cs1)[C@H]1CC[NH2+]C1 ZINC000415084392 428513287 /nfs/dbraw/zinc/51/32/87/428513287.db2.gz PAXNCELXSJYALV-ZFWWWQNUSA-N 1 3 316.474 2.725 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1C[C@H]1C ZINC000397555551 428513392 /nfs/dbraw/zinc/51/33/92/428513392.db2.gz LGVMNTSVDNHYNC-NUJGCVRESA-N 1 3 302.462 2.648 20 0 DFADHO COc1ccc([C@@H](CNC2CC[NH2+]CC2)N2CCCCC2)cc1 ZINC000415087974 428515322 /nfs/dbraw/zinc/51/53/22/428515322.db2.gz UJVDBGIFDJLBJT-LJQANCHMSA-N 1 3 317.477 2.564 20 0 DFADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCCc1nccn1Cc1ccccc1 ZINC000415085583 428516151 /nfs/dbraw/zinc/51/61/51/428516151.db2.gz QWGRYOUQSZTCPX-AEFFLSMTSA-N 1 3 312.461 2.594 20 0 DFADHO c1sc(CCCNC[C@H]2CCC[NH2+]C2)nc1-c1ccncc1 ZINC000415088622 428516406 /nfs/dbraw/zinc/51/64/06/428516406.db2.gz WJCHLLOVZUFXSU-AWEZNQCLSA-N 1 3 316.474 2.727 20 0 DFADHO c1sc(CCC[NH2+]C[C@H]2CCCNC2)nc1-c1ccncc1 ZINC000415088622 428516414 /nfs/dbraw/zinc/51/64/14/428516414.db2.gz WJCHLLOVZUFXSU-AWEZNQCLSA-N 1 3 316.474 2.727 20 0 DFADHO C[C@@H]([NH2+]C1CCNCC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000415087821 428516900 /nfs/dbraw/zinc/51/69/00/428516900.db2.gz VASUIDILOVZOHE-DNVCBOLYSA-N 1 3 318.461 2.653 20 0 DFADHO COc1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1C ZINC000415115203 428523220 /nfs/dbraw/zinc/52/32/20/428523220.db2.gz WTPYVEKNQVEKFK-MJGOQNOKSA-N 1 3 318.461 2.722 20 0 DFADHO CCN1CCN(c2cccc(NC[C@H]3CC[NH2+][C@@H](C)C3)c2)CC1 ZINC000415116175 428526794 /nfs/dbraw/zinc/52/67/94/428526794.db2.gz ZFEWNCKDTGKJBB-IRXDYDNUSA-N 1 3 316.493 2.629 20 0 DFADHO CCCc1cccc(CN2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000415120414 428527852 /nfs/dbraw/zinc/52/78/52/428527852.db2.gz FXNBTDNGUILHFV-SFHVURJKSA-N 1 3 313.449 2.526 20 0 DFADHO CCCc1cccc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000415120414 428527857 /nfs/dbraw/zinc/52/78/57/428527857.db2.gz FXNBTDNGUILHFV-SFHVURJKSA-N 1 3 313.449 2.526 20 0 DFADHO CCCc1cccc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000415120414 428527862 /nfs/dbraw/zinc/52/78/62/428527862.db2.gz FXNBTDNGUILHFV-SFHVURJKSA-N 1 3 313.449 2.526 20 0 DFADHO Cc1ccc(F)cc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415122012 428530241 /nfs/dbraw/zinc/53/02/41/428530241.db2.gz JBRBOZNMNFBXEC-QZTJIDSGSA-N 1 3 306.425 2.852 20 0 DFADHO CC(C)CC[NH+]1CCC(CN[C@@H](C)c2ccc(=O)[nH]n2)CC1 ZINC000353531495 428580914 /nfs/dbraw/zinc/58/09/14/428580914.db2.gz VJDNUJFTLNHETK-AWEZNQCLSA-N 1 3 306.454 2.591 20 0 DFADHO CN1CCC[C@H](CNC(=O)C2([NH3+])CCCC2)[C@H]1c1cccs1 ZINC000361717084 428590446 /nfs/dbraw/zinc/59/04/46/428590446.db2.gz APHFMKODIRFGNK-HIFRSBDPSA-N 1 3 321.490 2.519 20 0 DFADHO C[NH+](C)CCc1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000347494579 428591438 /nfs/dbraw/zinc/59/14/38/428591438.db2.gz BUXHQIHIHWQRSK-UHFFFAOYSA-N 1 3 309.413 2.646 20 0 DFADHO C[C@@H]1CC[C@H]([NH2+]CC2=CCN(C)CC2)CN1C(=O)OC(C)(C)C ZINC000399050133 428532249 /nfs/dbraw/zinc/53/22/49/428532249.db2.gz UTIOBKHBNLDFEB-ZBFHGGJFSA-N 1 3 323.481 2.626 20 0 DFADHO Cc1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000415133413 428532909 /nfs/dbraw/zinc/53/29/09/428532909.db2.gz VFLCKXGGIRCFSR-RDJZCZTQSA-N 1 3 312.461 2.812 20 0 DFADHO CCc1cccc(F)c1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415139982 428533762 /nfs/dbraw/zinc/53/37/62/428533762.db2.gz MKINXLSKBOFHOS-AEFFLSMTSA-N 1 3 318.436 2.589 20 0 DFADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000353438783 428537845 /nfs/dbraw/zinc/53/78/45/428537845.db2.gz VULKAKCOXXNUQI-NCXUSEDFSA-N 1 3 301.478 2.752 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000353438783 428537851 /nfs/dbraw/zinc/53/78/51/428537851.db2.gz VULKAKCOXXNUQI-NCXUSEDFSA-N 1 3 301.478 2.752 20 0 DFADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000353438783 428537855 /nfs/dbraw/zinc/53/78/55/428537855.db2.gz VULKAKCOXXNUQI-NCXUSEDFSA-N 1 3 301.478 2.752 20 0 DFADHO CNC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000358266397 428593835 /nfs/dbraw/zinc/59/38/35/428593835.db2.gz MIPOBSPYOIIHKX-NRSFXHEJSA-N 1 3 321.509 2.534 20 0 DFADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000358266397 428593840 /nfs/dbraw/zinc/59/38/40/428593840.db2.gz MIPOBSPYOIIHKX-NRSFXHEJSA-N 1 3 321.509 2.534 20 0 DFADHO C[C@H](NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400327731 428544562 /nfs/dbraw/zinc/54/45/62/428544562.db2.gz CTKXVWOWMXOVQS-YTQUADARSA-N 1 3 301.478 2.771 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C1CC1)N1CCCC1)CC(C)C ZINC000353458771 428545689 /nfs/dbraw/zinc/54/56/89/428545689.db2.gz KKKYLXAKANQZGD-ZWKOTPCHSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@H](NC[C@]1(C)CCCN1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400811612 428547808 /nfs/dbraw/zinc/54/78/08/428547808.db2.gz YNKPJQDKDIJFAV-UHOSZYNNSA-N 1 3 301.478 2.771 20 0 DFADHO COCC1(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000361299544 428554798 /nfs/dbraw/zinc/55/47/98/428554798.db2.gz NLTYSWVWFRPTIZ-IRXDYDNUSA-N 1 3 324.509 2.624 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC1CCN(Cc2cccnc2)CC1 ZINC000353480462 428556152 /nfs/dbraw/zinc/55/61/52/428556152.db2.gz BYRZVTHYDXWAID-KRWDZBQOSA-N 1 3 318.509 2.756 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC1CCN(Cc2cccnc2)CC1 ZINC000353480462 428556156 /nfs/dbraw/zinc/55/61/56/428556156.db2.gz BYRZVTHYDXWAID-KRWDZBQOSA-N 1 3 318.509 2.756 20 0 DFADHO CC(C)N(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000361328776 428558335 /nfs/dbraw/zinc/55/83/35/428558335.db2.gz QYKBXJYYPFGGOB-PKOBYXMFSA-N 1 3 303.494 2.969 20 0 DFADHO C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N1CCCCCC1 ZINC000357812972 428565995 /nfs/dbraw/zinc/56/59/95/428565995.db2.gz VEBSDJSVIWGFGW-IRXDYDNUSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N1CCCCCC1 ZINC000357812972 428566000 /nfs/dbraw/zinc/56/60/00/428566000.db2.gz VEBSDJSVIWGFGW-IRXDYDNUSA-N 1 3 323.525 2.878 20 0 DFADHO COc1cc(C)c(CN2CCC[C@@H](C)[C@H]2CC[NH3+])cc1OC ZINC000404365831 428568572 /nfs/dbraw/zinc/56/85/72/428568572.db2.gz HFSYXSWCEBVHKL-CZUORRHYSA-N 1 3 306.450 2.962 20 0 DFADHO CN1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@@H]2CCC[C@H]21 ZINC000353514227 428571925 /nfs/dbraw/zinc/57/19/25/428571925.db2.gz BUDRJFKUCWOIJU-GBESFXJTSA-N 1 3 305.510 2.856 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@H](CCCO)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353518519 428574191 /nfs/dbraw/zinc/57/41/91/428574191.db2.gz LFOQXWMPTDHURX-ZSYWTGECSA-N 1 3 302.462 2.963 20 0 DFADHO C[N@H+]1CC[C@H](N[C@H](CCCO)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353518519 428574198 /nfs/dbraw/zinc/57/41/98/428574198.db2.gz LFOQXWMPTDHURX-ZSYWTGECSA-N 1 3 302.462 2.963 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2cccc(-n3ccnc3)c2)[C@H]2CCC[C@H]21 ZINC000353521580 428576450 /nfs/dbraw/zinc/57/64/50/428576450.db2.gz QFJBQZPJWJNYTJ-CEXWTWQISA-N 1 3 310.445 2.835 20 0 DFADHO C[N@H+]1CC[C@H](NCc2cccc(-n3ccnc3)c2)[C@H]2CCC[C@H]21 ZINC000353521580 428576451 /nfs/dbraw/zinc/57/64/51/428576451.db2.gz QFJBQZPJWJNYTJ-CEXWTWQISA-N 1 3 310.445 2.835 20 0 DFADHO C[NH+](C)CCOC1CCN(Cc2cc3ccccc3o2)CC1 ZINC000353526858 428577596 /nfs/dbraw/zinc/57/75/96/428577596.db2.gz BMNBVRPFRBXHAA-UHFFFAOYSA-N 1 3 302.418 2.975 20 0 DFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000361973956 428607166 /nfs/dbraw/zinc/60/71/66/428607166.db2.gz ZSPDAIPPYUHSOR-KXBFYZLASA-N 1 3 305.510 2.856 20 0 DFADHO CC(C)N1CCN(CCC[N@H+](C)C2CCC(F)(F)CC2)CC1 ZINC000347586203 428615106 /nfs/dbraw/zinc/61/51/06/428615106.db2.gz TVCOBWMEXLVFTG-UHFFFAOYSA-N 1 3 317.468 2.912 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+](C)C2CCC(F)(F)CC2)CC1 ZINC000347586203 428615116 /nfs/dbraw/zinc/61/51/16/428615116.db2.gz TVCOBWMEXLVFTG-UHFFFAOYSA-N 1 3 317.468 2.912 20 0 DFADHO C[C@@H](c1ccc(F)cc1F)N(C)CCCN(C)CC[NH+](C)C ZINC000344041502 428618575 /nfs/dbraw/zinc/61/85/75/428618575.db2.gz VYUHZQNDINCSFN-AWEZNQCLSA-N 1 3 313.436 2.841 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@H]2CCC[C@H]21 ZINC000353611812 428619447 /nfs/dbraw/zinc/61/94/47/428619447.db2.gz FRLWAEZYGCOJMD-FGTMMUONSA-N 1 3 315.461 2.975 20 0 DFADHO CNCc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000415909308 428623213 /nfs/dbraw/zinc/62/32/13/428623213.db2.gz FPSOWSXZSQDUIC-HNNXBMFYSA-N 1 3 318.465 2.505 20 0 DFADHO CNCc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000415909308 428623217 /nfs/dbraw/zinc/62/32/17/428623217.db2.gz FPSOWSXZSQDUIC-HNNXBMFYSA-N 1 3 318.465 2.505 20 0 DFADHO CC(C)[C@@H](CNC(=O)CC1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000347524432 428595262 /nfs/dbraw/zinc/59/52/62/428595262.db2.gz NCIXQTIBRMNJEF-GOSISDBHSA-N 1 3 323.525 2.591 20 0 DFADHO CC(C)[NH+](CCCNC(=O)Nc1ccc2c(c1)CNC2)C(C)C ZINC000415997466 428643582 /nfs/dbraw/zinc/64/35/82/428643582.db2.gz PRLVWAIPBJAJBQ-UHFFFAOYSA-N 1 3 318.465 2.920 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000362184365 428652670 /nfs/dbraw/zinc/65/26/70/428652670.db2.gz IGTGUKRAZQTNOG-QAPCUYQASA-N 1 3 302.462 2.969 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000362184365 428652676 /nfs/dbraw/zinc/65/26/76/428652676.db2.gz IGTGUKRAZQTNOG-QAPCUYQASA-N 1 3 302.462 2.969 20 0 DFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000416146431 428675214 /nfs/dbraw/zinc/67/52/14/428675214.db2.gz UTVZSYBHESTXBS-FUHWJXTLSA-N 1 3 317.477 2.528 20 0 DFADHO CC[N@H+]1CCC[C@@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000416146431 428675219 /nfs/dbraw/zinc/67/52/19/428675219.db2.gz UTVZSYBHESTXBS-FUHWJXTLSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)c2ccsc2S1 ZINC000361877276 274404782 /nfs/dbraw/zinc/40/47/82/274404782.db2.gz LPCJADMPBVQNCW-YPMHNXCESA-N 1 3 312.504 2.720 20 0 DFADHO Cc1ccc([C@H]2CCC[C@H]2[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000344749448 428701514 /nfs/dbraw/zinc/70/15/14/428701514.db2.gz NYEIFZUSBBXRNM-QZTJIDSGSA-N 1 3 302.462 2.677 20 0 DFADHO C[C@H](CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000374420431 428678612 /nfs/dbraw/zinc/67/86/12/428678612.db2.gz LIKWEUJURPMMCN-XGXHKWSGSA-N 1 3 302.462 2.974 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCOC1 ZINC000344587499 428679196 /nfs/dbraw/zinc/67/91/96/428679196.db2.gz IGPBAUHBQIUABM-AEFFLSMTSA-N 1 3 306.450 2.532 20 0 DFADHO CCN1C[C@H]([NH2+]CC[C@H](C)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000344619676 428683071 /nfs/dbraw/zinc/68/30/71/428683071.db2.gz XDKWLNRFMHKVSU-LNLFQRSKSA-N 1 3 303.494 2.827 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348262028 428683105 /nfs/dbraw/zinc/68/31/05/428683105.db2.gz HZDZAOSDNFLQQH-PMACEKPBSA-N 1 3 315.505 2.797 20 0 DFADHO CCN1C[C@H]([NH2+]CC[C@@H](C)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000344619677 428684365 /nfs/dbraw/zinc/68/43/65/428684365.db2.gz XDKWLNRFMHKVSU-SCTDSRPQSA-N 1 3 303.494 2.827 20 0 DFADHO C[C@@H](CN(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000348275511 428688549 /nfs/dbraw/zinc/68/85/49/428688549.db2.gz CJYILLYTKWUTLQ-UXDRXVOSSA-N 1 3 301.478 2.722 20 0 DFADHO CN(C)[C@@H](CC(=O)NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000416198259 428688713 /nfs/dbraw/zinc/68/87/13/428688713.db2.gz MGAVUFIYRQQNNB-KRWDZBQOSA-N 1 3 317.477 2.528 20 0 DFADHO CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)N1CCCCC1 ZINC000358819922 428690957 /nfs/dbraw/zinc/69/09/57/428690957.db2.gz RYKVUMAVYVNTIY-ROUUACIJSA-N 1 3 323.525 2.878 20 0 DFADHO CC(C)[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)N1CCCCC1 ZINC000358819922 428690961 /nfs/dbraw/zinc/69/09/61/428690961.db2.gz RYKVUMAVYVNTIY-ROUUACIJSA-N 1 3 323.525 2.878 20 0 DFADHO CN1CCC(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)(N2CCCCC2)CC1 ZINC000374516921 428694308 /nfs/dbraw/zinc/69/43/08/428694308.db2.gz AHVREOQPZSIRBK-KSZLIROESA-N 1 3 305.510 2.715 20 0 DFADHO CCN1CCN(c2ccccc2C[NH+]2C[C@@H](C)[C@H](C)C2)CC1 ZINC000353884917 428763763 /nfs/dbraw/zinc/76/37/63/428763763.db2.gz ZDANZVMCJIHFHQ-IAGOWNOFSA-N 1 3 301.478 2.916 20 0 DFADHO Cc1nc(CO[C@@H]2CC[N@@H+](CC[C@@H]3CCCN3C)C2)cs1 ZINC000374882046 428773541 /nfs/dbraw/zinc/77/35/41/428773541.db2.gz VIQPPOFRBMSJAR-JKSUJKDBSA-N 1 3 309.479 2.527 20 0 DFADHO Cc1nc(CO[C@@H]2CC[N@H+](CC[C@@H]3CCCN3C)C2)cs1 ZINC000374882046 428773543 /nfs/dbraw/zinc/77/35/43/428773543.db2.gz VIQPPOFRBMSJAR-JKSUJKDBSA-N 1 3 309.479 2.527 20 0 DFADHO CN(C)CCNC(=O)C1CC[NH+](CCC2CCCCCC2)CC1 ZINC000345186019 428790248 /nfs/dbraw/zinc/79/02/48/428790248.db2.gz JQQYKUWEXIAINS-UHFFFAOYSA-N 1 3 323.525 2.737 20 0 DFADHO Cc1cccc(NC[C@@H]2CCCN2CC[C@H]2CCC[N@H+]2C)n1 ZINC000362400190 428734627 /nfs/dbraw/zinc/73/46/27/428734627.db2.gz FQJDYSASXJRPEC-SJORKVTESA-N 1 3 302.466 2.751 20 0 DFADHO Cc1cccc(NC[C@@H]2CCCN2CC[C@H]2CCC[N@@H+]2C)n1 ZINC000362400190 428734632 /nfs/dbraw/zinc/73/46/32/428734632.db2.gz FQJDYSASXJRPEC-SJORKVTESA-N 1 3 302.466 2.751 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000353978310 428802283 /nfs/dbraw/zinc/80/22/83/428802283.db2.gz KEDDITWQOUTXCZ-RYRKJORJSA-N 1 3 320.477 2.950 20 0 DFADHO CCC[C@H]([NH2+]CC(=O)NC1CCN(CC)CC1)C1CCCCC1 ZINC000411486735 428804762 /nfs/dbraw/zinc/80/47/62/428804762.db2.gz IDJLDBDDMLDFNJ-SFHVURJKSA-N 1 3 323.525 2.926 20 0 DFADHO CN(Cc1cccc(C[NH+]2CCCCC2)c1)CC1(CO)CC1 ZINC000411613556 428824726 /nfs/dbraw/zinc/82/47/26/428824726.db2.gz PXMXYJHAFZGVTH-UHFFFAOYSA-N 1 3 302.462 2.877 20 0 DFADHO CC(CCN(C(C)C)C1COC1)CC[N@H+](C(C)C)C1COC1 ZINC000411766423 428854315 /nfs/dbraw/zinc/85/43/15/428854315.db2.gz CCODLLFOSWNARK-UHFFFAOYSA-N 1 3 312.498 2.621 20 0 DFADHO CC(CCN(C(C)C)C1COC1)CC[N@@H+](C(C)C)C1COC1 ZINC000411766423 428854325 /nfs/dbraw/zinc/85/43/25/428854325.db2.gz CCODLLFOSWNARK-UHFFFAOYSA-N 1 3 312.498 2.621 20 0 DFADHO CCC[C@H](C[N@@H+]1CC[C@H](N2CCNCC2)C1)c1ccccc1 ZINC000348973665 428890057 /nfs/dbraw/zinc/89/00/57/428890057.db2.gz IJHYRTRJGSWERY-MOPGFXCFSA-N 1 3 301.478 2.550 20 0 DFADHO CCC[C@H](C[N@H+]1CC[C@H](N2CCNCC2)C1)c1ccccc1 ZINC000348973665 428890063 /nfs/dbraw/zinc/89/00/63/428890063.db2.gz IJHYRTRJGSWERY-MOPGFXCFSA-N 1 3 301.478 2.550 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1sccc1C ZINC000349060933 428911619 /nfs/dbraw/zinc/91/16/19/428911619.db2.gz HQNHTBOXQKTNMH-MRXNPFEDSA-N 1 3 309.523 2.904 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1sccc1C ZINC000349060933 428911625 /nfs/dbraw/zinc/91/16/25/428911625.db2.gz HQNHTBOXQKTNMH-MRXNPFEDSA-N 1 3 309.523 2.904 20 0 DFADHO C[C@@H]1OCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354174344 428900416 /nfs/dbraw/zinc/90/04/16/428900416.db2.gz XCNQNKFNMJDUGX-BYUNMRKYSA-N 1 3 300.446 2.949 20 0 DFADHO C[C@@H]1OCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354174344 428900418 /nfs/dbraw/zinc/90/04/18/428900418.db2.gz XCNQNKFNMJDUGX-BYUNMRKYSA-N 1 3 300.446 2.949 20 0 DFADHO C[NH+](C)CCOCCNCc1cnc(-c2ccsc2)s1 ZINC000354184302 428903941 /nfs/dbraw/zinc/90/39/41/428903941.db2.gz CKDOQRAABSZQQU-UHFFFAOYSA-N 1 3 311.476 2.539 20 0 DFADHO C[C@@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)N1CCCCCC1 ZINC000345505071 428912405 /nfs/dbraw/zinc/91/24/05/428912405.db2.gz JLEYIJWQSWLQBE-BBWFWOEESA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)N1CCCCCC1 ZINC000345505071 428912410 /nfs/dbraw/zinc/91/24/10/428912410.db2.gz JLEYIJWQSWLQBE-BBWFWOEESA-N 1 3 309.498 2.630 20 0 DFADHO CN(C/C=C\c1ccccc1)CCN(C)C1CC[NH+](C)CC1 ZINC000349070002 428912730 /nfs/dbraw/zinc/91/27/30/428912730.db2.gz AJCABBCPQGLDQK-YFHOEESVSA-N 1 3 301.478 2.658 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000349119615 428922507 /nfs/dbraw/zinc/92/25/07/428922507.db2.gz QUTTXGZZOWMZOA-ROUUACIJSA-N 1 3 323.525 2.734 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000349117046 428922719 /nfs/dbraw/zinc/92/27/19/428922719.db2.gz JDLCVQAQLZPDEG-SJORKVTESA-N 1 3 309.498 2.632 20 0 DFADHO CCCN1CCC[C@H]1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000349117046 428922725 /nfs/dbraw/zinc/92/27/25/428922725.db2.gz JDLCVQAQLZPDEG-SJORKVTESA-N 1 3 309.498 2.632 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000354226431 428926420 /nfs/dbraw/zinc/92/64/20/428926420.db2.gz WDCNXBVJWAEHNP-PBHICJAKSA-N 1 3 321.440 2.959 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000354226431 428926422 /nfs/dbraw/zinc/92/64/22/428926422.db2.gz WDCNXBVJWAEHNP-PBHICJAKSA-N 1 3 321.440 2.959 20 0 DFADHO CN1CCCN(CCC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000359377267 428946189 /nfs/dbraw/zinc/94/61/89/428946189.db2.gz YGMTWSBRYLUNPM-LJQANCHMSA-N 1 3 319.468 2.894 20 0 DFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000359379682 428947111 /nfs/dbraw/zinc/94/71/11/428947111.db2.gz PGVOXXIBOKYGJI-BZUAXINKSA-N 1 3 307.507 2.815 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](c1cccs1)N1CCCC1 ZINC000359379682 428947118 /nfs/dbraw/zinc/94/71/18/428947118.db2.gz PGVOXXIBOKYGJI-BZUAXINKSA-N 1 3 307.507 2.815 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](c1cccs1)N1CCCC1 ZINC000359379682 428947121 /nfs/dbraw/zinc/94/71/21/428947121.db2.gz PGVOXXIBOKYGJI-BZUAXINKSA-N 1 3 307.507 2.815 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC[C@@H](O)C(F)(F)F)CC2)C1 ZINC000349331572 428964213 /nfs/dbraw/zinc/96/42/13/428964213.db2.gz LVAFNNYUHJDTMP-VHDGCEQUSA-N 1 3 322.415 2.932 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@@H](O)C(F)(F)F)CC2)C1 ZINC000349331572 428964216 /nfs/dbraw/zinc/96/42/16/428964216.db2.gz LVAFNNYUHJDTMP-VHDGCEQUSA-N 1 3 322.415 2.932 20 0 DFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC[C@@H](O)C(F)(F)F)CC2)C1 ZINC000349331570 428964651 /nfs/dbraw/zinc/96/46/51/428964651.db2.gz LVAFNNYUHJDTMP-BPLDGKMQSA-N 1 3 322.415 2.932 20 0 DFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@@H](O)C(F)(F)F)CC2)C1 ZINC000349331570 428964654 /nfs/dbraw/zinc/96/46/54/428964654.db2.gz LVAFNNYUHJDTMP-BPLDGKMQSA-N 1 3 322.415 2.932 20 0 DFADHO Cc1cc(N2CCN([C@H]3CCC[C@@H]3O)CC2)c2ccccc2[nH+]1 ZINC000375907157 429014907 /nfs/dbraw/zinc/01/49/07/429014907.db2.gz RNEINNVNGJEQOZ-HKUYNNGSSA-N 1 3 311.429 2.579 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cccc2cc[nH]c21 ZINC000355209129 429032271 /nfs/dbraw/zinc/03/22/71/429032271.db2.gz QYXDZCZIMVFRNJ-SQNIBIBYSA-N 1 3 313.445 2.851 20 0 DFADHO Cc1nn(-c2ccncc2)cc1C[N@H+](C)CCCn1ccnc1C ZINC000349384407 428977639 /nfs/dbraw/zinc/97/76/39/428977639.db2.gz NTCWYAYYDQKUMR-UHFFFAOYSA-N 1 3 324.432 2.603 20 0 DFADHO Cc1nn(-c2ccncc2)cc1C[N@@H+](C)CCCn1ccnc1C ZINC000349384407 428977644 /nfs/dbraw/zinc/97/76/44/428977644.db2.gz NTCWYAYYDQKUMR-UHFFFAOYSA-N 1 3 324.432 2.603 20 0 DFADHO C[C@H](C(=O)N(CCN(C)C)C1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412198402 428981005 /nfs/dbraw/zinc/98/10/05/428981005.db2.gz WRWVOMBUJYKTKI-OWCLPIDISA-N 1 3 309.498 2.581 20 0 DFADHO C[C@H](C(=O)N(CCN(C)C)C1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412198402 428981009 /nfs/dbraw/zinc/98/10/09/428981009.db2.gz WRWVOMBUJYKTKI-OWCLPIDISA-N 1 3 309.498 2.581 20 0 DFADHO CC(C)[C@H](C(=O)N[C@@H](CN)c1ccc2ccccc2c1)[C@@H](C)[NH3+] ZINC000423614608 428983133 /nfs/dbraw/zinc/98/31/33/428983133.db2.gz QOBQOVWKOHHSOH-BVGQSLNGSA-N 1 3 313.445 2.575 20 0 DFADHO CC(C)[C@H](C(=O)Nc1cc(CN)cc(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000423624030 428986549 /nfs/dbraw/zinc/98/65/49/428986549.db2.gz PESXJAVSJBXRJU-ZANVPECISA-N 1 3 317.355 2.722 20 0 DFADHO C[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H](N)c1ccccc1 ZINC000423745448 429007720 /nfs/dbraw/zinc/00/77/20/429007720.db2.gz MRVIIFVNJVZQFQ-RYKRPPSOSA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)CN(C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000423763908 429012226 /nfs/dbraw/zinc/01/22/26/429012226.db2.gz SCHFNRKHFQRMNC-DLBZAZTESA-N 1 3 323.525 2.591 20 0 DFADHO C[C@@H]1CCCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000354846903 429013351 /nfs/dbraw/zinc/01/33/51/429013351.db2.gz DOTZSINIVZNSEG-SJLPKXTDSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@@H]1CCCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000354846903 429013356 /nfs/dbraw/zinc/01/33/56/429013356.db2.gz DOTZSINIVZNSEG-SJLPKXTDSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C(C)(C)C1 ZINC000354849826 429014774 /nfs/dbraw/zinc/01/47/74/429014774.db2.gz MAQCTGBHWFYAID-RDJZCZTQSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C(C)(C)C1 ZINC000354849826 429014778 /nfs/dbraw/zinc/01/47/78/429014778.db2.gz MAQCTGBHWFYAID-RDJZCZTQSA-N 1 3 317.477 2.526 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000423448654 429089158 /nfs/dbraw/zinc/08/91/58/429089158.db2.gz VGYZPPURGJFAEO-QZTJIDSGSA-N 1 3 321.509 2.619 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000423448656 429089578 /nfs/dbraw/zinc/08/95/78/429089578.db2.gz VGYZPPURGJFAEO-ZWKOTPCHSA-N 1 3 321.509 2.619 20 0 DFADHO C[C@@H](N[C@@H](C)CCC[NH3+])c1ccc(-n2cncn2)cc1Cl ZINC000423458266 429090886 /nfs/dbraw/zinc/09/08/86/429090886.db2.gz PXCVBUYUHIXVPZ-NWDGAFQWSA-N 1 3 307.829 2.699 20 0 DFADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423469288 429092364 /nfs/dbraw/zinc/09/23/64/429092364.db2.gz OTVDVGBLEYJNJB-CABZTGNLSA-N 1 3 318.202 2.679 20 0 DFADHO FC(F)(F)[C@H]1C[C@H]([NH2+]CCNC2CCCCCC2)CCO1 ZINC000423280545 429055377 /nfs/dbraw/zinc/05/53/77/429055377.db2.gz SWGLMQOIYDDSPC-ZIAGYGMSSA-N 1 3 308.388 2.998 20 0 DFADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423278038 429055581 /nfs/dbraw/zinc/05/55/81/429055581.db2.gz QKAYFJYRXGVGST-LRDDRELGSA-N 1 3 304.438 2.604 20 0 DFADHO COCCc1nc(C)c([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000423281697 429055673 /nfs/dbraw/zinc/05/56/73/429055673.db2.gz UKLLWTNRURPPQK-FPMFFAJLSA-N 1 3 311.495 2.809 20 0 DFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](N)C(C)C)c2ccccc21 ZINC000423283755 429056101 /nfs/dbraw/zinc/05/61/01/429056101.db2.gz XNBVXJHIAAPEOS-BRWVUGGUSA-N 1 3 304.434 2.741 20 0 DFADHO CC(C)[C@@H]([NH3+])CN[C@@H]1CCc2cc(Br)ccc2C1 ZINC000423284117 429058537 /nfs/dbraw/zinc/05/85/37/429058537.db2.gz XTHNUNHCDILJBT-CABCVRRESA-N 1 3 311.267 2.879 20 0 DFADHO C[C@H](CN)C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423299307 429059537 /nfs/dbraw/zinc/05/95/37/429059537.db2.gz BRNKLDYFDQJSPM-IAQYHMDHSA-N 1 3 311.267 2.955 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000423307597 429059565 /nfs/dbraw/zinc/05/95/65/429059565.db2.gz HJCFYTDWKXANGN-KBXCAEBGSA-N 1 3 311.429 2.739 20 0 DFADHO C[C@H](CN)C[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423303810 429060869 /nfs/dbraw/zinc/06/08/69/429060869.db2.gz JOWJHBCIMBIQJQ-ZJUUUORDSA-N 1 3 303.219 2.704 20 0 DFADHO C[C@H](C[NH3+])CN[C@@H](C)Cc1ccc(F)cc1Br ZINC000423303810 429060873 /nfs/dbraw/zinc/06/08/73/429060873.db2.gz JOWJHBCIMBIQJQ-ZJUUUORDSA-N 1 3 303.219 2.704 20 0 DFADHO CC[C@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)N(CC)CC ZINC000423951953 429063646 /nfs/dbraw/zinc/06/36/46/429063646.db2.gz PNHYSTRIHRTKMR-CYBMUJFWSA-N 1 3 324.494 2.669 20 0 DFADHO C[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)N1CCC[C@@H](C)C1 ZINC000423329573 429065944 /nfs/dbraw/zinc/06/59/44/429065944.db2.gz MVTSHFJSKMCJKC-KFWWJZLASA-N 1 3 303.450 2.557 20 0 DFADHO C[C@@H](CNC(=O)[C@@H](N)CC1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000423332807 429067550 /nfs/dbraw/zinc/06/75/50/429067550.db2.gz PKELQWFWOLQJEN-VYDXJSESSA-N 1 3 309.498 2.663 20 0 DFADHO C[C@@H](CNC(=O)[C@@H](N)CC1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000423332807 429067551 /nfs/dbraw/zinc/06/75/51/429067551.db2.gz PKELQWFWOLQJEN-VYDXJSESSA-N 1 3 309.498 2.663 20 0 DFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H](N)C3CCC3)cc2)C1 ZINC000423341358 429069625 /nfs/dbraw/zinc/06/96/25/429069625.db2.gz UFSFLZBROHOUDQ-KSSFIOAISA-N 1 3 315.461 2.984 20 0 DFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H](N)C3CCC3)cc2)C1 ZINC000423341358 429069630 /nfs/dbraw/zinc/06/96/30/429069630.db2.gz UFSFLZBROHOUDQ-KSSFIOAISA-N 1 3 315.461 2.984 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000423346928 429070261 /nfs/dbraw/zinc/07/02/61/429070261.db2.gz ZMICPBYBTWYHJS-GOSISDBHSA-N 1 3 321.509 2.807 20 0 DFADHO CC(C)[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000423361624 429072775 /nfs/dbraw/zinc/07/27/75/429072775.db2.gz AKCIEMOIJVTGMI-FFSVYQOJSA-N 1 3 303.406 2.818 20 0 DFADHO COCCOCC[N@@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000376202732 429075211 /nfs/dbraw/zinc/07/52/11/429075211.db2.gz DYLGVUXHOBAAPW-LJQANCHMSA-N 1 3 320.477 2.636 20 0 DFADHO COCCOCC[N@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000376202732 429075213 /nfs/dbraw/zinc/07/52/13/429075213.db2.gz DYLGVUXHOBAAPW-LJQANCHMSA-N 1 3 320.477 2.636 20 0 DFADHO CC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000423383081 429077196 /nfs/dbraw/zinc/07/71/96/429077196.db2.gz GNAWWEZNLCNDFC-OLZOCXBDSA-N 1 3 321.412 2.625 20 0 DFADHO CC[C@H]1CCCCN1CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423415002 429084076 /nfs/dbraw/zinc/08/40/76/429084076.db2.gz CZHKRDBRMGZBFV-PBHICJAKSA-N 1 3 303.450 2.701 20 0 DFADHO COC[C@]1(C[NH2+][C@H](C)CCc2c(F)cccc2F)CCCN1 ZINC000423415686 429085543 /nfs/dbraw/zinc/08/55/43/429085543.db2.gz PEZXVVAZBBVEBI-CXAGYDPISA-N 1 3 312.404 2.644 20 0 DFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423427158 429086100 /nfs/dbraw/zinc/08/61/00/429086100.db2.gz IICXTVQAGOCLFC-NVXWUHKLSA-N 1 3 317.477 2.513 20 0 DFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423427158 429086104 /nfs/dbraw/zinc/08/61/04/429086104.db2.gz IICXTVQAGOCLFC-NVXWUHKLSA-N 1 3 317.477 2.513 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@@H](C)CCCC[NH3+])cc1)C1CC1 ZINC000494691432 429143435 /nfs/dbraw/zinc/14/34/35/429143435.db2.gz PVSWXMQLLOOJJH-HNNXBMFYSA-N 1 3 317.477 2.918 20 0 DFADHO CN(C(=O)CC1CCN(C)CC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000487461330 429154433 /nfs/dbraw/zinc/15/44/33/429154433.db2.gz AHOFHOCBLIOSJW-UHFFFAOYSA-N 1 3 323.525 2.831 20 0 DFADHO CCN(CCCOc1ccc(OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435625352 429156161 /nfs/dbraw/zinc/15/61/61/429156161.db2.gz HMJGGGRTJDVLCG-INIZCTEOSA-N 1 3 306.450 2.928 20 0 DFADHO CC[N@H+](CCCOc1ccc(OC)cc1)[C@H]1CCCNCC1 ZINC000435625352 429156163 /nfs/dbraw/zinc/15/61/63/429156163.db2.gz HMJGGGRTJDVLCG-INIZCTEOSA-N 1 3 306.450 2.928 20 0 DFADHO CC[N@@H+](CCCOc1ccc(OC)cc1)[C@H]1CCCNCC1 ZINC000435625352 429156166 /nfs/dbraw/zinc/15/61/66/429156166.db2.gz HMJGGGRTJDVLCG-INIZCTEOSA-N 1 3 306.450 2.928 20 0 DFADHO CCN1CCC[C@H]1CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424144302 429098623 /nfs/dbraw/zinc/09/86/23/429098623.db2.gz XDFFDRIIBUYCKN-SJORKVTESA-N 1 3 309.498 2.665 20 0 DFADHO CCN1CCC[C@@H]1CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424144292 429098793 /nfs/dbraw/zinc/09/87/93/429098793.db2.gz XDFFDRIIBUYCKN-DLBZAZTESA-N 1 3 309.498 2.665 20 0 DFADHO CN1CC[C@H]([NH2+][C@@H](CN)C2CCCC2)C[C@@H]1c1ccccc1 ZINC000423506199 429101106 /nfs/dbraw/zinc/10/11/06/429101106.db2.gz OWXZYIGUOVBSPY-GBESFXJTSA-N 1 3 301.478 2.929 20 0 DFADHO NC1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C2CC3CC(C2)CC1C3 ZINC000423520601 429105944 /nfs/dbraw/zinc/10/59/44/429105944.db2.gz FFHOZZKRRRZHKQ-AHHWSCLSSA-N 1 3 316.489 2.687 20 0 DFADHO [NH3+]C1(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C2CC3CC(C2)CC1C3 ZINC000423520601 429105947 /nfs/dbraw/zinc/10/59/47/429105947.db2.gz FFHOZZKRRRZHKQ-AHHWSCLSSA-N 1 3 316.489 2.687 20 0 DFADHO CC(C)[C@H](Cn1cccn1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423534250 429109976 /nfs/dbraw/zinc/10/99/76/429109976.db2.gz ZSUHJAKNXFYWOZ-YXOSVLIBSA-N 1 3 316.493 2.651 20 0 DFADHO CC(C)[C@H](Cn1cccn1)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423534250 429109982 /nfs/dbraw/zinc/10/99/82/429109982.db2.gz ZSUHJAKNXFYWOZ-YXOSVLIBSA-N 1 3 316.493 2.651 20 0 DFADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C12CCC2 ZINC000423530665 429111111 /nfs/dbraw/zinc/11/11/11/429111111.db2.gz RQPBSRWONAMDJV-GWHFVUTDSA-N 1 3 318.505 2.933 20 0 DFADHO CO[C@@H]1[C@H](C)[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C12CCC2 ZINC000423530665 429111115 /nfs/dbraw/zinc/11/11/15/429111115.db2.gz RQPBSRWONAMDJV-GWHFVUTDSA-N 1 3 318.505 2.933 20 0 DFADHO Cc1c[nH+]ccc1NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000376467682 429117344 /nfs/dbraw/zinc/11/73/44/429117344.db2.gz PNAUFIWIMZKPNR-UHFFFAOYSA-N 1 3 311.429 2.897 20 0 DFADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000424301080 429122126 /nfs/dbraw/zinc/12/21/26/429122126.db2.gz WWVPOPJCSOKWPB-RCCFBDPRSA-N 1 3 304.434 2.604 20 0 DFADHO CCc1ccccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000376496444 429123000 /nfs/dbraw/zinc/12/30/00/429123000.db2.gz XKCVQNOVAOZABS-PXNSSMCTSA-N 1 3 315.505 2.707 20 0 DFADHO C[C@@H]1CC2(CN1Cc1cnc([C@@H]3CCCO3)s1)CC[NH2+]CC2 ZINC000424370446 429130734 /nfs/dbraw/zinc/13/07/34/429130734.db2.gz CHURAPSMLUVGIT-HIFRSBDPSA-N 1 3 321.490 2.959 20 0 DFADHO CN(C)Cc1ccccc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000487118310 429133532 /nfs/dbraw/zinc/13/35/32/429133532.db2.gz QKHDPHSAKCAJOF-UHFFFAOYSA-N 1 3 317.477 2.600 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000424417347 429138099 /nfs/dbraw/zinc/13/80/99/429138099.db2.gz ACWVPGHHXHTGGI-UHFFFAOYSA-N 1 3 318.465 2.840 20 0 DFADHO Cc1cc(CN)cc(NC(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000424417347 429138106 /nfs/dbraw/zinc/13/81/06/429138106.db2.gz ACWVPGHHXHTGGI-UHFFFAOYSA-N 1 3 318.465 2.840 20 0 DFADHO CC(C)[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)N1CCCCC1 ZINC000376564185 429139115 /nfs/dbraw/zinc/13/91/15/429139115.db2.gz ANXZOBNMNCVXOO-DAWZGUTISA-N 1 3 321.509 2.630 20 0 DFADHO COc1ccc(-c2ccncc2)cc1CN1CCC(C[NH3+])CC1 ZINC000435391170 429140519 /nfs/dbraw/zinc/14/05/19/429140519.db2.gz VORGQVVIOLWLLI-UHFFFAOYSA-N 1 3 311.429 2.928 20 0 DFADHO CC(C)[C@H](CN[C@H]1CCC(=O)NC1(C)C)[NH+]1CCCCCC1 ZINC000494924679 429164531 /nfs/dbraw/zinc/16/45/31/429164531.db2.gz QYGMSCHCUKSUOO-HOTGVXAUSA-N 1 3 309.498 2.534 20 0 DFADHO CCC(CC)[C@H](CN[C@@H]1CCC(=O)NC1(C)C)[NH+]1CCCC1 ZINC000494923036 429165269 /nfs/dbraw/zinc/16/52/69/429165269.db2.gz MJEOAGDCLSZKIS-JKSUJKDBSA-N 1 3 309.498 2.534 20 0 DFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)CC1CCN(C)CC1 ZINC000494841287 429158442 /nfs/dbraw/zinc/15/84/42/429158442.db2.gz AJERYVDNXABLPH-UHFFFAOYSA-N 1 3 323.525 2.833 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(C)CC2)[C@H]1Oc1ccccc1 ZINC000364321548 429181541 /nfs/dbraw/zinc/18/15/41/429181541.db2.gz CJJQHCBMYLJQHR-IPMKNSEASA-N 1 3 318.461 2.543 20 0 DFADHO CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(C)CC2)[C@@H]1Oc1ccccc1 ZINC000364321550 429181732 /nfs/dbraw/zinc/18/17/32/429181732.db2.gz CJJQHCBMYLJQHR-QRVBRYPASA-N 1 3 318.461 2.543 20 0 DFADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000436297774 429195885 /nfs/dbraw/zinc/19/58/85/429195885.db2.gz NXPUSLGUIHFJMD-LZQZEXGQSA-N 1 3 305.510 2.856 20 0 DFADHO CCC[N@@H+]1CC[C@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495388029 429204235 /nfs/dbraw/zinc/20/42/35/429204235.db2.gz ORDGRXQFFZLREO-CQSZACIVSA-N 1 3 313.486 2.611 20 0 DFADHO CCC[N@H+]1CC[C@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495388029 429204236 /nfs/dbraw/zinc/20/42/36/429204236.db2.gz ORDGRXQFFZLREO-CQSZACIVSA-N 1 3 313.486 2.611 20 0 DFADHO CCCN1CC[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495388029 429204239 /nfs/dbraw/zinc/20/42/39/429204239.db2.gz ORDGRXQFFZLREO-CQSZACIVSA-N 1 3 313.486 2.611 20 0 DFADHO c1ncc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000364440010 429204825 /nfs/dbraw/zinc/20/48/25/429204825.db2.gz NXQLCCCQUJTMSF-UHFFFAOYSA-N 1 3 310.445 2.898 20 0 DFADHO c1ncc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000364440010 429204827 /nfs/dbraw/zinc/20/48/27/429204827.db2.gz NXQLCCCQUJTMSF-UHFFFAOYSA-N 1 3 310.445 2.898 20 0 DFADHO C[C@@H]1C[C@H](C[NH3+])CN1CCOc1ccc(OC(F)(F)F)cc1 ZINC000442769163 429234822 /nfs/dbraw/zinc/23/48/22/429234822.db2.gz MYJUBQXQMJLUFP-VXGBXAGGSA-N 1 3 318.339 2.633 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCOC3(CCC3)C2)C[C@@H](C)O1 ZINC000449104129 429332416 /nfs/dbraw/zinc/33/24/16/429332416.db2.gz UHZXTJWAPGRMPH-BRWVUGGUSA-N 1 3 310.482 2.567 20 0 DFADHO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C1 ZINC000449104599 429333509 /nfs/dbraw/zinc/33/35/09/429333509.db2.gz ANHMVKAGAUDFKO-MDZRGWNJSA-N 1 3 307.526 2.959 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000449122771 429337922 /nfs/dbraw/zinc/33/79/22/429337922.db2.gz AKFLJDYJKYNOQD-HZPDHXFCSA-N 1 3 317.477 2.716 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000449122767 429338925 /nfs/dbraw/zinc/33/89/25/429338925.db2.gz AKFLJDYJKYNOQD-CVEARBPZSA-N 1 3 317.477 2.716 20 0 DFADHO CC(C)[C@@H](O)CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449143297 429343297 /nfs/dbraw/zinc/34/32/97/429343297.db2.gz PYSNAKCKMAVIIO-LPHOPBHVSA-N 1 3 304.478 2.689 20 0 DFADHO Cc1nccn1CCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425498589 429309861 /nfs/dbraw/zinc/30/98/61/429309861.db2.gz GWHMXYJCPKHRSU-VQTJNVASSA-N 1 3 324.472 2.788 20 0 DFADHO Cc1nccn1CCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425498589 429309862 /nfs/dbraw/zinc/30/98/62/429309862.db2.gz GWHMXYJCPKHRSU-VQTJNVASSA-N 1 3 324.472 2.788 20 0 DFADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000457084828 429396810 /nfs/dbraw/zinc/39/68/10/429396810.db2.gz GWFOMZCMFNLKFK-QZTJIDSGSA-N 1 3 321.509 2.725 20 0 DFADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000457084828 429396812 /nfs/dbraw/zinc/39/68/12/429396812.db2.gz GWFOMZCMFNLKFK-QZTJIDSGSA-N 1 3 321.509 2.725 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000513336709 429363092 /nfs/dbraw/zinc/36/30/92/429363092.db2.gz ZQJOAINFGOGLAJ-BJZITVGISA-N 1 3 316.493 2.900 20 0 DFADHO Fc1cnccc1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000449251743 429368155 /nfs/dbraw/zinc/36/81/55/429368155.db2.gz OXEPNBUNUACPIK-UHFFFAOYSA-N 1 3 300.381 2.622 20 0 DFADHO C[C@H]1CN(CCC[NH2+]Cc2ccnn2C2CCCC2)CCCO1 ZINC000449283196 429375508 /nfs/dbraw/zinc/37/55/08/429375508.db2.gz KHWBZDFWJMTJEH-INIZCTEOSA-N 1 3 320.481 2.589 20 0 DFADHO C[C@H](C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)CN(C)C ZINC000491588413 429377074 /nfs/dbraw/zinc/37/70/74/429377074.db2.gz IFZDQABVXPVELI-GFCCVEGCSA-N 1 3 304.356 2.915 20 0 DFADHO COc1cc2c(cc1CNCC[C@H]1CCC[N@H+](C)C1)O[C@H](C)C2 ZINC000518924320 429439864 /nfs/dbraw/zinc/43/98/64/429439864.db2.gz CIYNBORRGXRONJ-HUUCEWRRSA-N 1 3 318.461 2.840 20 0 DFADHO COc1cc2c(cc1CNCC[C@H]1CCC[N@@H+](C)C1)O[C@H](C)C2 ZINC000518924320 429439868 /nfs/dbraw/zinc/43/98/68/429439868.db2.gz CIYNBORRGXRONJ-HUUCEWRRSA-N 1 3 318.461 2.840 20 0 DFADHO C[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)N1CCCCCC1 ZINC000366439654 429451910 /nfs/dbraw/zinc/45/19/10/429451910.db2.gz SICQIBCDVWHQNC-SJORKVTESA-N 1 3 321.509 2.726 20 0 DFADHO C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)N1CCCCCC1 ZINC000366439654 429451912 /nfs/dbraw/zinc/45/19/12/429451912.db2.gz SICQIBCDVWHQNC-SJORKVTESA-N 1 3 321.509 2.726 20 0 DFADHO C[C@@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000366490184 429463443 /nfs/dbraw/zinc/46/34/43/429463443.db2.gz NNKJDIJGIYGTHD-HNAYVOBHSA-N 1 3 316.445 2.937 20 0 DFADHO C[C@@H](c1ccc2c(c1)OCCCO2)[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000366490184 429463445 /nfs/dbraw/zinc/46/34/45/429463445.db2.gz NNKJDIJGIYGTHD-HNAYVOBHSA-N 1 3 316.445 2.937 20 0 DFADHO CC(C)C[C@@H](CNC(=O)CNC1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000519541814 429463606 /nfs/dbraw/zinc/46/36/06/429463606.db2.gz MRWNGSSVQWIZFI-QAPCUYQASA-N 1 3 317.477 2.620 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@H](C)[C@@H]2CCCNC2)cc1OC ZINC000520761891 429527744 /nfs/dbraw/zinc/52/77/44/429527744.db2.gz ONOLFFXNRWEULB-HUUCEWRRSA-N 1 3 320.477 2.959 20 0 DFADHO COc1ccc(C(C)(C)CN[C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000520761891 429527749 /nfs/dbraw/zinc/52/77/49/429527749.db2.gz ONOLFFXNRWEULB-HUUCEWRRSA-N 1 3 320.477 2.959 20 0 DFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCn4ccnc4C3)CC2)C1 ZINC000427873923 429475661 /nfs/dbraw/zinc/47/56/61/429475661.db2.gz LZGMSKFDTNXACO-NXHRZFHOSA-N 1 3 316.493 2.831 20 0 DFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCn4ccnc4C3)CC2)C1 ZINC000427873923 429475669 /nfs/dbraw/zinc/47/56/69/429475669.db2.gz LZGMSKFDTNXACO-NXHRZFHOSA-N 1 3 316.493 2.831 20 0 DFADHO CCN(Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1)C1CC1 ZINC000449722338 429488152 /nfs/dbraw/zinc/48/81/52/429488152.db2.gz KPJZHPOGGLTHHZ-RDJZCZTQSA-N 1 3 315.461 2.528 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](O)C2CCC2)CC1 ZINC000449739973 429493078 /nfs/dbraw/zinc/49/30/78/429493078.db2.gz NALKLKRYNFTZPD-OXQOHEQNSA-N 1 3 316.489 2.833 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000450427806 429624497 /nfs/dbraw/zinc/62/44/97/429624497.db2.gz GJBREPLAHYBAQG-LMMKCTJWSA-N 1 3 302.462 2.569 20 0 DFADHO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000450427806 429624501 /nfs/dbraw/zinc/62/45/01/429624501.db2.gz GJBREPLAHYBAQG-LMMKCTJWSA-N 1 3 302.462 2.569 20 0 DFADHO CCc1ccc2nccc(N3CC[N@H+](C[C@@H](C)O)C[C@@H]3C)c2c1 ZINC000450452764 429629855 /nfs/dbraw/zinc/62/98/55/429629855.db2.gz ICFLXICAEWGFFC-LSDHHAIUSA-N 1 3 313.445 2.689 20 0 DFADHO CCc1ccc2nccc(N3CC[N@@H+](C[C@@H](C)O)C[C@@H]3C)c2c1 ZINC000450452764 429629859 /nfs/dbraw/zinc/62/98/59/429629859.db2.gz ICFLXICAEWGFFC-LSDHHAIUSA-N 1 3 313.445 2.689 20 0 DFADHO CCc1cc(N2CC[C@H](CN(C)Cc3cccnc3)C2)cc[nH+]1 ZINC000450463614 429634376 /nfs/dbraw/zinc/63/43/76/429634376.db2.gz QPQCPWORHQVMOW-QGZVFWFLSA-N 1 3 310.445 2.997 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)CCN(C)Cc2ccccc2)C[C@@H]1C ZINC000450465272 429634420 /nfs/dbraw/zinc/63/44/20/429634420.db2.gz DUYGNCQERDBMGW-HKUYNNGSSA-N 1 3 303.494 2.923 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)CCN(C)Cc2ccccc2)C[C@@H]1C ZINC000450465272 429634421 /nfs/dbraw/zinc/63/44/21/429634421.db2.gz DUYGNCQERDBMGW-HKUYNNGSSA-N 1 3 303.494 2.923 20 0 DFADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000429339818 429600916 /nfs/dbraw/zinc/60/09/16/429600916.db2.gz RWIVCLUNZGKFSN-SJORKVTESA-N 1 3 301.434 2.569 20 0 DFADHO CC1(C)NC(=O)CC[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000367243594 429603659 /nfs/dbraw/zinc/60/36/59/429603659.db2.gz ASQVKBGNRYPOKV-QGZVFWFLSA-N 1 3 321.509 2.678 20 0 DFADHO CC1(C)NC(=O)CC[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000367243594 429603664 /nfs/dbraw/zinc/60/36/64/429603664.db2.gz ASQVKBGNRYPOKV-QGZVFWFLSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@H]1CN(CC2CC[NH+](CC3CC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000450340405 429605483 /nfs/dbraw/zinc/60/54/83/429605483.db2.gz FLJVERLCNLKFKL-KBPBESRZSA-N 1 3 316.436 2.853 20 0 DFADHO OC[C@H](CC(F)F)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000429453800 429609223 /nfs/dbraw/zinc/60/92/23/429609223.db2.gz RWLPWJIGNWXAQO-MWDXBVQZSA-N 1 3 324.415 2.503 20 0 DFADHO OC[C@H](CC(F)F)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000429453800 429609226 /nfs/dbraw/zinc/60/92/26/429609226.db2.gz RWLPWJIGNWXAQO-MWDXBVQZSA-N 1 3 324.415 2.503 20 0 DFADHO OC[C@H](CC(F)F)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000429453800 429609228 /nfs/dbraw/zinc/60/92/28/429609228.db2.gz RWLPWJIGNWXAQO-MWDXBVQZSA-N 1 3 324.415 2.503 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCCCC1(F)F ZINC000450624460 429664363 /nfs/dbraw/zinc/66/43/63/429664363.db2.gz AQHUXIUFIYLRAP-OAHLLOKOSA-N 1 3 317.468 2.770 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCCCC1(F)F ZINC000450624460 429664366 /nfs/dbraw/zinc/66/43/66/429664366.db2.gz AQHUXIUFIYLRAP-OAHLLOKOSA-N 1 3 317.468 2.770 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000367597614 429679622 /nfs/dbraw/zinc/67/96/22/429679622.db2.gz BXZHUZQHYUPXSC-IRXDYDNUSA-N 1 3 322.497 2.978 20 0 DFADHO CC1=C[C@H](C)C[C@@H](C[NH+]2CCN([C@@H]3CCCN(C)C3)CC2)C1 ZINC000365665251 276185481 /nfs/dbraw/zinc/18/54/81/276185481.db2.gz FHELSSZFIBMOPX-QXAKKESOSA-N 1 3 305.510 2.691 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H](C)C2CCSCC2)CC1 ZINC000186999441 276194744 /nfs/dbraw/zinc/19/47/44/276194744.db2.gz VUSXSYBXEUMTES-MRXNPFEDSA-N 1 3 313.555 2.525 20 0 DFADHO CCN1CCN(CCCC[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000133992860 276194803 /nfs/dbraw/zinc/19/48/03/276194803.db2.gz RQOJAEWRLQIWLE-RBUKOAKNSA-N 1 3 307.526 2.986 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2C[C@H](C)c3ccccc32)CC1 ZINC000289153765 276195624 /nfs/dbraw/zinc/19/56/24/276195624.db2.gz GOFVIPLCVRJKTF-LPHOPBHVSA-N 1 3 301.478 2.852 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1F ZINC000367603081 429682194 /nfs/dbraw/zinc/68/21/94/429682194.db2.gz YDYUWZPMVCUIIX-BHIYHBOVSA-N 1 3 319.468 2.850 20 0 DFADHO CN(C)Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1F ZINC000367603081 429682197 /nfs/dbraw/zinc/68/21/97/429682197.db2.gz YDYUWZPMVCUIIX-BHIYHBOVSA-N 1 3 319.468 2.850 20 0 DFADHO CN(C)Cc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)ccc1F ZINC000367603081 429682200 /nfs/dbraw/zinc/68/22/00/429682200.db2.gz YDYUWZPMVCUIIX-BHIYHBOVSA-N 1 3 319.468 2.850 20 0 DFADHO COC[C@@H](NCc1ccccc1OCC[NH+](C)C)C1CCCC1 ZINC000525860876 429682812 /nfs/dbraw/zinc/68/28/12/429682812.db2.gz MJNPTMSVKWXGIZ-GOSISDBHSA-N 1 3 320.477 2.922 20 0 DFADHO CCOC(=O)C1(C)CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000353929419 276273048 /nfs/dbraw/zinc/27/30/48/276273048.db2.gz MECBSLUZHDPIBG-NDUQDZPOSA-N 1 3 308.466 2.715 20 0 DFADHO CCOC(=O)C1(C)CCC([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000354513299 276273066 /nfs/dbraw/zinc/27/30/66/276273066.db2.gz PNYXLKREVNTQDE-GARNVTTQSA-N 1 3 310.482 2.961 20 0 DFADHO CN1CC[NH+](C[C@@H]2CCCN(CCCCC(F)(F)F)C2)CC1 ZINC000367622082 429687723 /nfs/dbraw/zinc/68/77/23/429687723.db2.gz FCKDOSKJSVKAFQ-OAHLLOKOSA-N 1 3 321.431 2.678 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](N)c1ccccc1 ZINC000236858276 276325925 /nfs/dbraw/zinc/32/59/25/276325925.db2.gz UGXHRFZLDGPMKE-RDJZCZTQSA-N 1 3 305.466 2.703 20 0 DFADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000430587568 429696335 /nfs/dbraw/zinc/69/63/35/429696335.db2.gz WJFVGHFDNVCWFB-HZPDHXFCSA-N 1 3 317.477 2.574 20 0 DFADHO Cc1cc(C)cc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000367662129 429696702 /nfs/dbraw/zinc/69/67/02/429696702.db2.gz UUAQHBZODYDNHI-HXUWFJFHSA-N 1 3 315.505 2.904 20 0 DFADHO Cc1cc(C)cc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000367662129 429696705 /nfs/dbraw/zinc/69/67/05/429696705.db2.gz UUAQHBZODYDNHI-HXUWFJFHSA-N 1 3 315.505 2.904 20 0 DFADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000430587567 429697268 /nfs/dbraw/zinc/69/72/68/429697268.db2.gz WJFVGHFDNVCWFB-HOTGVXAUSA-N 1 3 317.477 2.574 20 0 DFADHO C[C@@H](CNC(=O)[C@@H](C)[C@H](N)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000430748238 429714685 /nfs/dbraw/zinc/71/46/85/429714685.db2.gz PNUOWNIULKBGAC-CVYDXHPNSA-N 1 3 317.477 2.702 20 0 DFADHO C[C@@H](CNC(=O)[C@@H](C)[C@H](N)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000430748238 429714688 /nfs/dbraw/zinc/71/46/88/429714688.db2.gz PNUOWNIULKBGAC-CVYDXHPNSA-N 1 3 317.477 2.702 20 0 DFADHO Fc1ccc(-c2n[nH]cc2CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430927364 429725101 /nfs/dbraw/zinc/72/51/01/429725101.db2.gz ILRHIEQLADZTSF-UHFFFAOYSA-N 1 3 314.408 2.791 20 0 DFADHO COCCOc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000368135804 429795996 /nfs/dbraw/zinc/79/59/96/429795996.db2.gz RPTFQEDEMWZKTH-HKUYNNGSSA-N 1 3 318.461 2.628 20 0 DFADHO COCCOc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000368135804 429795999 /nfs/dbraw/zinc/79/59/99/429795999.db2.gz RPTFQEDEMWZKTH-HKUYNNGSSA-N 1 3 318.461 2.628 20 0 DFADHO C[NH+](C)CCOc1ccc(CNC/C=C\c2ccncc2)cc1 ZINC000486962080 429756687 /nfs/dbraw/zinc/75/66/87/429756687.db2.gz CHQKGGQHKBKDCQ-ARJAWSKDSA-N 1 3 311.429 2.825 20 0 DFADHO CC(C)CC[NH+]1CCC(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000431569277 429769341 /nfs/dbraw/zinc/76/93/41/429769341.db2.gz HCMVMIGWVXXGBL-IAGOWNOFSA-N 1 3 323.525 2.734 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000431785733 429782036 /nfs/dbraw/zinc/78/20/36/429782036.db2.gz QTIXZMRRPNNFSD-KRWDZBQOSA-N 1 3 309.498 2.630 20 0 DFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000431788942 429782649 /nfs/dbraw/zinc/78/26/49/429782649.db2.gz OVLNNLVMCQZNCX-WBVHZDCISA-N 1 3 309.498 2.630 20 0 DFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000431788942 429782652 /nfs/dbraw/zinc/78/26/52/429782652.db2.gz OVLNNLVMCQZNCX-WBVHZDCISA-N 1 3 309.498 2.630 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000431785734 429782793 /nfs/dbraw/zinc/78/27/93/429782793.db2.gz QTIXZMRRPNNFSD-QGZVFWFLSA-N 1 3 309.498 2.630 20 0 DFADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000451194658 429785161 /nfs/dbraw/zinc/78/51/61/429785161.db2.gz WHZLOXBSDLUAOD-FUHWJXTLSA-N 1 3 321.509 2.726 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)OC)c1 ZINC000527930772 429823127 /nfs/dbraw/zinc/82/31/27/429823127.db2.gz WAHDOBHUHICMNW-MANSERQUSA-N 1 3 318.461 2.845 20 0 DFADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)OC)c1 ZINC000527930772 429823130 /nfs/dbraw/zinc/82/31/30/429823130.db2.gz WAHDOBHUHICMNW-MANSERQUSA-N 1 3 318.461 2.845 20 0 DFADHO OC1CC(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000432427591 429823313 /nfs/dbraw/zinc/82/33/13/429823313.db2.gz ZRIKDVOSAJIWDT-ZSDFWYKJSA-N 1 3 314.473 2.648 20 0 DFADHO C[C@@H]1[C@H]([NH2+]CCCN2CCCN(C)CC2)C[C@H]1c1ccccc1 ZINC000368355578 429836327 /nfs/dbraw/zinc/83/63/27/429836327.db2.gz XWSWFDJPOBSKPN-DFQSSKMNSA-N 1 3 315.505 2.796 20 0 DFADHO COc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000368479074 429855785 /nfs/dbraw/zinc/85/57/85/429855785.db2.gz YVUPSNNVZOAJQO-KBXCAEBGSA-N 1 3 316.445 2.983 20 0 DFADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)N1CCCC[C@H]1C ZINC000494306300 429866004 /nfs/dbraw/zinc/86/60/04/429866004.db2.gz CZDNFIKWZJAPBP-IAGOWNOFSA-N 1 3 323.525 2.878 20 0 DFADHO CC[NH+](CC)CC1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000494309650 429866090 /nfs/dbraw/zinc/86/60/90/429866090.db2.gz CKXVGUOVZAJGLE-UHFFFAOYSA-N 1 3 313.486 2.565 20 0 DFADHO CN(C(=[NH2+])NC[C@@]1(C)CCN(Cc2ccccc2)C1)C1CC1 ZINC000369054699 429909872 /nfs/dbraw/zinc/90/98/72/429909872.db2.gz MMMNXOYJNRXNMA-GOSISDBHSA-N 1 3 300.450 2.517 20 0 DFADHO CCCN1CCN(C2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000369153692 429916506 /nfs/dbraw/zinc/91/65/06/429916506.db2.gz DQIPLIIEJSJEJW-UHFFFAOYSA-N 1 3 315.505 2.987 20 0 DFADHO C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000369278307 429922352 /nfs/dbraw/zinc/92/23/52/429922352.db2.gz QFWZBEZDQSFKPM-VKJFTORMSA-N 1 3 317.477 2.661 20 0 DFADHO CC(C)CC[C@@H](O)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000573476592 429956814 /nfs/dbraw/zinc/95/68/14/429956814.db2.gz UTVZSIKZFDZQKC-WOJBJXKFSA-N 1 3 318.505 2.938 20 0 DFADHO CC(C)CC[C@@H](O)CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000573476592 429956816 /nfs/dbraw/zinc/95/68/16/429956816.db2.gz UTVZSIKZFDZQKC-WOJBJXKFSA-N 1 3 318.505 2.938 20 0 DFADHO CC(C)CC[C@@H](O)CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000573476592 429956819 /nfs/dbraw/zinc/95/68/19/429956819.db2.gz UTVZSIKZFDZQKC-WOJBJXKFSA-N 1 3 318.505 2.938 20 0 DFADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639761591 429972752 /nfs/dbraw/zinc/97/27/52/429972752.db2.gz GQJHAXUIIPATFJ-DLBZAZTESA-N 1 3 321.509 2.584 20 0 DFADHO N[C@H]1CCC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000573793197 429983086 /nfs/dbraw/zinc/98/30/86/429983086.db2.gz XIFLVUVYAZZEPV-QWRGUYRKSA-N 1 3 322.762 2.635 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000557423133 429938632 /nfs/dbraw/zinc/93/86/32/429938632.db2.gz LRSCXVPJHIGCPA-UHFFFAOYSA-N 1 3 315.461 2.821 20 0 DFADHO CC[NH+]1CCC(CN[C@H](C)c2cc(C(=O)OC)cs2)CC1 ZINC000557705011 429952468 /nfs/dbraw/zinc/95/24/68/429952468.db2.gz RGGHIKITAVSVKB-GFCCVEGCSA-N 1 3 310.463 2.917 20 0 DFADHO c1cc(N2CCC([NH2+]C[C@@H]3CCN3C3CCCC3)CC2)ccn1 ZINC000529670670 430049378 /nfs/dbraw/zinc/04/93/78/430049378.db2.gz WGHGUYUIYNWXCP-IBGZPJMESA-N 1 3 314.477 2.657 20 0 DFADHO C[C@@H](NC[C@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558968449 429994850 /nfs/dbraw/zinc/99/48/50/429994850.db2.gz HCCBNNVMFNOLQW-GTAWCEEGSA-N 1 3 316.489 2.861 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC[C@H](O)CC(F)(F)F)c1 ZINC000573953733 429997459 /nfs/dbraw/zinc/99/74/59/429997459.db2.gz LYDSDAAAWQNPQY-OAHLLOKOSA-N 1 3 318.383 2.931 20 0 DFADHO O[C@@]1(CNCC2=CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634715456 430088440 /nfs/dbraw/zinc/08/84/40/430088440.db2.gz CXMVQGWHNDMZMY-LJQANCHMSA-N 1 3 300.446 2.713 20 0 DFADHO O[C@@]1(CNCC2=CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715456 430088446 /nfs/dbraw/zinc/08/84/46/430088446.db2.gz CXMVQGWHNDMZMY-LJQANCHMSA-N 1 3 300.446 2.713 20 0 DFADHO CC1(C)C[NH2+]CC[C@H](NCc2cc(-n3ccnc3)cs2)C1 ZINC000634732996 430093253 /nfs/dbraw/zinc/09/32/53/430093253.db2.gz UALPCVWKWIWBLZ-ZDUSSCGKSA-N 1 3 304.463 2.802 20 0 DFADHO CC1(C)CNCC[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000634733668 430094066 /nfs/dbraw/zinc/09/40/66/430094066.db2.gz KVHAMRIHXANNJZ-QGZVFWFLSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734005 430094200 /nfs/dbraw/zinc/09/42/00/430094200.db2.gz UNZNLJFJRLSQHZ-CJNGLKHVSA-N 1 3 321.440 2.911 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000530226142 430106460 /nfs/dbraw/zinc/10/64/60/430106460.db2.gz PXORYXYERMCMPF-JSSFPYSZSA-N 1 3 308.441 2.688 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000530226142 430106462 /nfs/dbraw/zinc/10/64/62/430106462.db2.gz PXORYXYERMCMPF-JSSFPYSZSA-N 1 3 308.441 2.688 20 0 DFADHO CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000530226142 430106466 /nfs/dbraw/zinc/10/64/66/430106466.db2.gz PXORYXYERMCMPF-JSSFPYSZSA-N 1 3 308.441 2.688 20 0 DFADHO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCNC23CCC3)cc1O ZINC000530243324 430107671 /nfs/dbraw/zinc/10/76/71/430107671.db2.gz HLTZNUMZOFKKOA-GUYCJALGSA-N 1 3 304.434 2.596 20 0 DFADHO C[C@@H](C[NH3+])CN[C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000560942851 430072252 /nfs/dbraw/zinc/07/22/52/430072252.db2.gz VWZOBEJHUCKCBI-QWRGUYRKSA-N 1 3 317.355 2.607 20 0 DFADHO C[C@@H](CN)C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000560942851 430072257 /nfs/dbraw/zinc/07/22/57/430072257.db2.gz VWZOBEJHUCKCBI-QWRGUYRKSA-N 1 3 317.355 2.607 20 0 DFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1ncc(Br)s1 ZINC000560972037 430072267 /nfs/dbraw/zinc/07/22/67/430072267.db2.gz GEUQKMZACHJURL-AYBYRNOTSA-N 1 3 316.268 2.511 20 0 DFADHO CC1(C)C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000634685580 430078082 /nfs/dbraw/zinc/07/80/82/430078082.db2.gz QSOSBTOHXQBLMZ-SFHVURJKSA-N 1 3 317.477 2.841 20 0 DFADHO c1ccc2c(c1)OC[C@H](CCNC1CC[NH+](CC3CC3)CC1)O2 ZINC000561160928 430080271 /nfs/dbraw/zinc/08/02/71/430080271.db2.gz LCJOYAJOHUCZLP-KRWDZBQOSA-N 1 3 316.445 2.681 20 0 DFADHO CC(C)[N@H+](C)CC1CCN(Cc2c3c(nn2C)CCCC3)CC1 ZINC000637957888 430185769 /nfs/dbraw/zinc/18/57/69/430185769.db2.gz KVPVBGFNKDXOKU-UHFFFAOYSA-N 1 3 318.509 2.851 20 0 DFADHO CC(C)[N@@H+](C)CC1CCN(Cc2c3c(nn2C)CCCC3)CC1 ZINC000637957888 430185772 /nfs/dbraw/zinc/18/57/72/430185772.db2.gz KVPVBGFNKDXOKU-UHFFFAOYSA-N 1 3 318.509 2.851 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000581200393 430187641 /nfs/dbraw/zinc/18/76/41/430187641.db2.gz GNOZKCFEXFEFPG-QZTJIDSGSA-N 1 3 308.441 2.535 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000581200393 430187647 /nfs/dbraw/zinc/18/76/47/430187647.db2.gz GNOZKCFEXFEFPG-QZTJIDSGSA-N 1 3 308.441 2.535 20 0 DFADHO CN(C)CCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000581130969 430180654 /nfs/dbraw/zinc/18/06/54/430180654.db2.gz AYUGSKUDYRMGAB-SFHVURJKSA-N 1 3 301.478 2.725 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635005060 430194396 /nfs/dbraw/zinc/19/43/96/430194396.db2.gz LQMCFOYVHNOHIV-DPQXWDTRSA-N 1 3 309.251 2.803 20 0 DFADHO C[C@@H](N)C[C@@H](C)[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635005060 430194402 /nfs/dbraw/zinc/19/44/02/430194402.db2.gz LQMCFOYVHNOHIV-DPQXWDTRSA-N 1 3 309.251 2.803 20 0 DFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cc(F)cc(F)c1 ZINC000635007995 430194462 /nfs/dbraw/zinc/19/44/62/430194462.db2.gz HRDVDUUKEUOXJN-LBPRGKRZSA-N 1 3 318.371 2.943 20 0 DFADHO Cn1cc([C@H](N[C@H]2CC[C@H](C[NH3+])CC2)c2cccc(F)c2)cn1 ZINC000635006734 430194656 /nfs/dbraw/zinc/19/46/56/430194656.db2.gz NCLSIPVFBNPNEW-FSPWUOQZSA-N 1 3 316.424 2.756 20 0 DFADHO C[C@]1(CN[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC[NH2+]C1 ZINC000634997542 430188551 /nfs/dbraw/zinc/18/85/51/430188551.db2.gz NRMGXDHBUNFZPV-BVUBDWEXSA-N 1 3 321.262 2.676 20 0 DFADHO C[C@@H]1CN(Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000634998844 430190121 /nfs/dbraw/zinc/19/01/21/430190121.db2.gz LSGJKIYXWXVAHC-HIFRSBDPSA-N 1 3 324.428 2.860 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000635003199 430191300 /nfs/dbraw/zinc/19/13/00/430191300.db2.gz GYYRHXNYSRPIJP-DOEPTHPASA-N 1 3 309.251 2.803 20 0 DFADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000635003199 430191304 /nfs/dbraw/zinc/19/13/04/430191304.db2.gz GYYRHXNYSRPIJP-DOEPTHPASA-N 1 3 309.251 2.803 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000635001438 430191678 /nfs/dbraw/zinc/19/16/78/430191678.db2.gz SGKUKISOABKMMS-FHXAZYNBSA-N 1 3 321.262 2.947 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000635001438 430191681 /nfs/dbraw/zinc/19/16/81/430191681.db2.gz SGKUKISOABKMMS-FHXAZYNBSA-N 1 3 321.262 2.947 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000635001439 430192366 /nfs/dbraw/zinc/19/23/66/430192366.db2.gz SGKUKISOABKMMS-HUHANWACSA-N 1 3 321.262 2.947 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000635001439 430192371 /nfs/dbraw/zinc/19/23/71/430192371.db2.gz SGKUKISOABKMMS-HUHANWACSA-N 1 3 321.262 2.947 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCO[C@@H](c2cncn2C)C1 ZINC000581245741 430192763 /nfs/dbraw/zinc/19/27/63/430192763.db2.gz UWZLZLHNDNQWDZ-MUQADHOPSA-N 1 3 320.481 2.541 20 0 DFADHO CN(CCCC[NH+]1CCCCC1)C[C@@H](O)COc1ccccc1 ZINC000640530626 430192907 /nfs/dbraw/zinc/19/29/07/430192907.db2.gz ACUSXVXVQFDXDX-GOSISDBHSA-N 1 3 320.477 2.624 20 0 DFADHO N[C@H](CC[NH2+][C@@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000635004670 430192966 /nfs/dbraw/zinc/19/29/66/430192966.db2.gz FXCUKHKNUHGVLV-QZTJIDSGSA-N 1 3 302.462 2.885 20 0 DFADHO CN(CCCC[NH+]1CCCCC1)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000640534692 430193684 /nfs/dbraw/zinc/19/36/84/430193684.db2.gz RVYDLZOKOFBISQ-KZNAEPCWSA-N 1 3 321.509 2.632 20 0 DFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635006801 430193873 /nfs/dbraw/zinc/19/38/73/430193873.db2.gz SYAHKANWQMJKGI-GPRLLCNNSA-N 1 3 321.262 2.804 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635006801 430193876 /nfs/dbraw/zinc/19/38/76/430193876.db2.gz SYAHKANWQMJKGI-GPRLLCNNSA-N 1 3 321.262 2.804 20 0 DFADHO C[C@H](NCCc1c2ccccc2[nH]c1C(F)(F)F)C1C[NH2+]C1 ZINC000635024311 430200440 /nfs/dbraw/zinc/20/04/40/430200440.db2.gz WHSLDHBCDXAPRV-JTQLQIEISA-N 1 3 311.351 2.927 20 0 DFADHO C[C@H]([NH2+]CCc1c2ccccc2[nH]c1C(F)(F)F)C1CNC1 ZINC000635024311 430200444 /nfs/dbraw/zinc/20/04/44/430200444.db2.gz WHSLDHBCDXAPRV-JTQLQIEISA-N 1 3 311.351 2.927 20 0 DFADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000581357460 430201021 /nfs/dbraw/zinc/20/10/21/430201021.db2.gz VAEAIIMTKKPBBJ-ILXRZTDVSA-N 1 3 300.450 2.862 20 0 DFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc2c(c1)CCO2 ZINC000635011292 430195598 /nfs/dbraw/zinc/19/55/98/430195598.db2.gz YVXVXPMNCNBKSF-AWEZNQCLSA-N 1 3 324.428 2.599 20 0 DFADHO C[C@@H](CC(=O)Nc1ccccc1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012510 430195951 /nfs/dbraw/zinc/19/59/51/430195951.db2.gz UKCVKTBAFSVHMW-HOCLYGCPSA-N 1 3 303.450 2.772 20 0 DFADHO N[C@H](CC[NH2+]C1CCN(c2ccccn2)CC1)Cc1ccccc1 ZINC000635009939 430196049 /nfs/dbraw/zinc/19/60/49/430196049.db2.gz XPSDIQVVOHHNGF-GOSISDBHSA-N 1 3 324.472 2.600 20 0 DFADHO C[C@@H](CCC(F)(F)F)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008877 430196273 /nfs/dbraw/zinc/19/62/73/430196273.db2.gz LDHAGFNMDBGIAK-NSHDSACASA-N 1 3 302.344 2.634 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000635013103 430197560 /nfs/dbraw/zinc/19/75/60/430197560.db2.gz BYNROGBEUITKHM-LEUOFYLZSA-N 1 3 322.880 2.926 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@@H]1CCCNC1 ZINC000635013778 430198872 /nfs/dbraw/zinc/19/88/72/430198872.db2.gz VRRNARPRVMLPGG-DNMXQMFDSA-N 1 3 306.425 2.881 20 0 DFADHO Cn1cc(-c2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])s2)cn1 ZINC000581595443 430223503 /nfs/dbraw/zinc/22/35/03/430223503.db2.gz AZUYDKQQLJHSJO-SWLSCSKDSA-N 1 3 304.463 2.756 20 0 DFADHO CCN[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000638064376 430224098 /nfs/dbraw/zinc/22/40/98/430224098.db2.gz SUKINPZQDORATK-CABCVRRESA-N 1 3 303.450 2.855 20 0 DFADHO CCN[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000638064376 430224101 /nfs/dbraw/zinc/22/41/01/430224101.db2.gz SUKINPZQDORATK-CABCVRRESA-N 1 3 303.450 2.855 20 0 DFADHO CC[N@H+](C)C[C@H](O)CN(Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000565488381 430216536 /nfs/dbraw/zinc/21/65/36/430216536.db2.gz FTNKJNZSCCLHTF-QAPCUYQASA-N 1 3 320.477 2.608 20 0 DFADHO CC[N@@H+](C)C[C@H](O)CN(Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000565488381 430216539 /nfs/dbraw/zinc/21/65/39/430216539.db2.gz FTNKJNZSCCLHTF-QAPCUYQASA-N 1 3 320.477 2.608 20 0 DFADHO O=C(CC[NH2+]C1CC(N2CCCCC2)C1)Nc1cccc(F)c1 ZINC000581544331 430217341 /nfs/dbraw/zinc/21/73/41/430217341.db2.gz YSRGUWRLTLKUGC-UHFFFAOYSA-N 1 3 319.424 2.761 20 0 DFADHO Fc1ccc(CCNCc2cc(C3CC[NH2+]CC3)no2)c(F)c1 ZINC000566146460 430244993 /nfs/dbraw/zinc/24/49/93/430244993.db2.gz YCYJWZPTSRYCTC-UHFFFAOYSA-N 1 3 321.371 2.752 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccsc1 ZINC000635280525 430244990 /nfs/dbraw/zinc/24/49/90/430244990.db2.gz VIBPYEZBJFQSSD-OAHLLOKOSA-N 1 3 323.506 2.589 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638133949 430247718 /nfs/dbraw/zinc/24/77/18/430247718.db2.gz LTDZBZNCGSHYJO-ZWKOTPCHSA-N 1 3 301.478 2.787 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638133949 430247720 /nfs/dbraw/zinc/24/77/20/430247720.db2.gz LTDZBZNCGSHYJO-ZWKOTPCHSA-N 1 3 301.478 2.787 20 0 DFADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638133949 430247722 /nfs/dbraw/zinc/24/77/22/430247722.db2.gz LTDZBZNCGSHYJO-ZWKOTPCHSA-N 1 3 301.478 2.787 20 0 DFADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638133949 430247725 /nfs/dbraw/zinc/24/77/25/430247725.db2.gz LTDZBZNCGSHYJO-ZWKOTPCHSA-N 1 3 301.478 2.787 20 0 DFADHO CCN1CCN(c2cccc(N[C@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000566481240 430265678 /nfs/dbraw/zinc/26/56/78/430265678.db2.gz GJLOJPJSHUTHRF-CVEARBPZSA-N 1 3 302.466 2.510 20 0 DFADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635448748 430280597 /nfs/dbraw/zinc/28/05/97/430280597.db2.gz WYRKHPJWZXNAEG-SFHVURJKSA-N 1 3 321.509 2.584 20 0 DFADHO CC(C)CC[C@@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000638086964 430231552 /nfs/dbraw/zinc/23/15/52/430231552.db2.gz YASNSIYSGGKGFA-ZWKOTPCHSA-N 1 3 323.525 2.720 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000635253097 430239739 /nfs/dbraw/zinc/23/97/39/430239739.db2.gz FUCVZSZNWTYVLI-INIZCTEOSA-N 1 3 303.450 2.809 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000635253097 430239744 /nfs/dbraw/zinc/23/97/44/430239744.db2.gz FUCVZSZNWTYVLI-INIZCTEOSA-N 1 3 303.450 2.809 20 0 DFADHO CN(CCOc1ccccc1F)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000568050366 430309625 /nfs/dbraw/zinc/30/96/25/430309625.db2.gz VJYGEQRGSDAREI-UHFFFAOYSA-N 1 3 314.404 2.982 20 0 DFADHO COC(=O)c1cc2cc(CN3CCC(CC[NH3+])CC3)ccc2o1 ZINC000568057055 430311365 /nfs/dbraw/zinc/31/13/65/430311365.db2.gz NBKGKZGCMFUPFU-UHFFFAOYSA-N 1 3 316.401 2.780 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCOc2cccc(Br)c2)C1 ZINC000568107716 430318158 /nfs/dbraw/zinc/31/81/58/430318158.db2.gz WITLKWXOMNZXTP-STQMWFEESA-N 1 3 313.239 2.687 20 0 DFADHO CO[C@](C)(C[NH2+]Cc1cccc(OCCN(C)C)c1)C1CC1 ZINC000638381085 430323879 /nfs/dbraw/zinc/32/38/79/430323879.db2.gz GNPSUYBDTMERPC-GOSISDBHSA-N 1 3 306.450 2.532 20 0 DFADHO CO[C@H](CNCc1cccc(C[N@H+](C)C(C)C)c1)[C@H]1CCOC1 ZINC000638434119 430340766 /nfs/dbraw/zinc/34/07/66/430340766.db2.gz HSYFANSKPFAYOF-RBUKOAKNSA-N 1 3 320.477 2.668 20 0 DFADHO CO[C@H](CNCc1cccc(C[N@@H+](C)C(C)C)c1)[C@H]1CCOC1 ZINC000638434119 430340770 /nfs/dbraw/zinc/34/07/70/430340770.db2.gz HSYFANSKPFAYOF-RBUKOAKNSA-N 1 3 320.477 2.668 20 0 DFADHO CCCC[NH+]1CCC(N[C@H](C)Cc2ccnc(OC)c2)CC1 ZINC000638430008 430341294 /nfs/dbraw/zinc/34/12/94/430341294.db2.gz NWCFSJIPBGUWAZ-OAHLLOKOSA-N 1 3 305.466 2.875 20 0 DFADHO CC(C)(O)C[NH+]1CCC(NCc2cc3c(s2)CCCC3)CC1 ZINC000638436882 430343156 /nfs/dbraw/zinc/34/31/56/430343156.db2.gz HHTZTFZXTGUPBQ-UHFFFAOYSA-N 1 3 322.518 2.952 20 0 DFADHO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000638454716 430348308 /nfs/dbraw/zinc/34/83/08/430348308.db2.gz NIYKXZBXTYSOMG-MAUKXSAKSA-N 1 3 321.509 2.678 20 0 DFADHO COC(=O)CCCN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000583051389 430359833 /nfs/dbraw/zinc/35/98/33/430359833.db2.gz MGXNIDCKFNZNHC-HNNXBMFYSA-N 1 3 324.490 2.763 20 0 DFADHO COC(=O)CCCN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000583051389 430359836 /nfs/dbraw/zinc/35/98/36/430359836.db2.gz MGXNIDCKFNZNHC-HNNXBMFYSA-N 1 3 324.490 2.763 20 0 DFADHO CC(C)C[C@H]1CCC[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000568501077 430363433 /nfs/dbraw/zinc/36/34/33/430363433.db2.gz CSYXRJPWZHESKX-GDBMZVCRSA-N 1 3 319.497 2.966 20 0 DFADHO COCC1(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CCC1 ZINC000638521833 430366672 /nfs/dbraw/zinc/36/66/72/430366672.db2.gz QGLFIGOTGXAWMU-LJQANCHMSA-N 1 3 316.489 2.957 20 0 DFADHO C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635752703 430367465 /nfs/dbraw/zinc/36/74/65/430367465.db2.gz MDPKHDIDEYSZRX-SFHVURJKSA-N 1 3 321.509 2.584 20 0 DFADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@H]1CC1(F)F ZINC000638540063 430371460 /nfs/dbraw/zinc/37/14/60/430371460.db2.gz YEVWJDLKPKSJTC-XJKSGUPXSA-N 1 3 312.404 2.803 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000583257118 430377096 /nfs/dbraw/zinc/37/70/96/430377096.db2.gz HBNDEKZUQUTRNM-MUQADHOPSA-N 1 3 320.481 2.541 20 0 DFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(F)c2N)[C@H](C)C1 ZINC000638595369 430383480 /nfs/dbraw/zinc/38/34/80/430383480.db2.gz RNXGMKTUHINHGQ-RHSMWYFYSA-N 1 3 323.456 2.635 20 0 DFADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2cccc(Cl)c2)CC[N@@H+]1C ZINC000568740309 430386591 /nfs/dbraw/zinc/38/65/91/430386591.db2.gz FEMUPDZMUJCOCP-OCCSQVGLSA-N 1 3 309.841 2.741 20 0 DFADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2cccc(Cl)c2)CC[N@H+]1C ZINC000568740309 430386595 /nfs/dbraw/zinc/38/65/95/430386595.db2.gz FEMUPDZMUJCOCP-OCCSQVGLSA-N 1 3 309.841 2.741 20 0 DFADHO CO[C@H](CNC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000638667815 430405456 /nfs/dbraw/zinc/40/54/56/430405456.db2.gz DPCBVPXWNGBXDW-QFBILLFUSA-N 1 3 324.509 2.672 20 0 DFADHO c1c(CNCC2CCN(c3cc[nH+]cc3)CC2)onc1C1CC1 ZINC000638836065 430450494 /nfs/dbraw/zinc/45/04/94/430450494.db2.gz BZJUJUHUNVVBAR-UHFFFAOYSA-N 1 3 312.417 2.953 20 0 DFADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048122 430453479 /nfs/dbraw/zinc/45/34/79/430453479.db2.gz DLHTXCJNUFFTTL-FUHWJXTLSA-N 1 3 324.896 2.953 20 0 DFADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048122 430453482 /nfs/dbraw/zinc/45/34/82/430453482.db2.gz DLHTXCJNUFFTTL-FUHWJXTLSA-N 1 3 324.896 2.953 20 0 DFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048122 430453487 /nfs/dbraw/zinc/45/34/87/430453487.db2.gz DLHTXCJNUFFTTL-FUHWJXTLSA-N 1 3 324.896 2.953 20 0 DFADHO [NH3+]CCCCC(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638851475 430454656 /nfs/dbraw/zinc/45/46/56/430454656.db2.gz LUOQEDZTDHJJGR-SFHVURJKSA-N 1 3 317.477 2.676 20 0 DFADHO COc1cncc(/C=C\CCN(C)CCC[NH+]2CCCC2)c1 ZINC000584050454 430454933 /nfs/dbraw/zinc/45/49/33/430454933.db2.gz VDYFEYHABYDVDQ-BAQGIRSFSA-N 1 3 303.450 2.911 20 0 DFADHO CO[C@@H](CNCc1ccccc1C[N@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000638853399 430456793 /nfs/dbraw/zinc/45/67/93/430456793.db2.gz FJAHMPPFQWEFON-MOPGFXCFSA-N 1 3 320.477 2.668 20 0 DFADHO CO[C@@H](CNCc1ccccc1C[N@@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000638853399 430456797 /nfs/dbraw/zinc/45/67/97/430456797.db2.gz FJAHMPPFQWEFON-MOPGFXCFSA-N 1 3 320.477 2.668 20 0 DFADHO CC1([NH+]2CCCC2)CCN(C(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000638861270 430458820 /nfs/dbraw/zinc/45/88/20/430458820.db2.gz RVGBBGUDHUEYNY-KRWDZBQOSA-N 1 3 321.509 2.761 20 0 DFADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000641802599 430475643 /nfs/dbraw/zinc/47/56/43/430475643.db2.gz NIBPLJBVNIVZNE-STQMWFEESA-N 1 3 313.239 2.543 20 0 DFADHO c1cc(CN(CCc2cn[nH]c2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000641797415 430476176 /nfs/dbraw/zinc/47/61/76/430476176.db2.gz CAQWTHDHTMAROB-MRXNPFEDSA-N 1 3 316.474 2.658 20 0 DFADHO COc1cc(C[C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)ccn1 ZINC000639036907 430498109 /nfs/dbraw/zinc/49/81/09/430498109.db2.gz DLEJZJQCRLBCRJ-JKSUJKDBSA-N 1 3 305.466 2.875 20 0 DFADHO COc1cc(C[C@H](C)NCC[C@@H](C)[NH+]2CCCCC2)ccn1 ZINC000639036907 430498113 /nfs/dbraw/zinc/49/81/13/430498113.db2.gz DLEJZJQCRLBCRJ-JKSUJKDBSA-N 1 3 305.466 2.875 20 0 DFADHO C[NH+](C)[C@@H]1CCC[C@@H](NCCC(=O)Nc2cccc(F)c2)C1 ZINC000569921082 430498430 /nfs/dbraw/zinc/49/84/30/430498430.db2.gz OEPLZPZWEVNIAM-GDBMZVCRSA-N 1 3 307.413 2.617 20 0 DFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000569921082 430498433 /nfs/dbraw/zinc/49/84/33/430498433.db2.gz OEPLZPZWEVNIAM-GDBMZVCRSA-N 1 3 307.413 2.617 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)[C@]12CCCO2 ZINC000639037234 430499404 /nfs/dbraw/zinc/49/94/04/430499404.db2.gz HAZVEIFVRFFSRX-XMTFNYHQSA-N 1 3 310.482 2.567 20 0 DFADHO CO[C@@H](CNC(C)(C)CC[NH+]1CCCCCC1)[C@@H]1CCOC1 ZINC000639067453 430510662 /nfs/dbraw/zinc/51/06/62/430510662.db2.gz XRNVTXACBAVMSZ-SJORKVTESA-N 1 3 312.498 2.672 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000548918371 430510838 /nfs/dbraw/zinc/51/08/38/430510838.db2.gz PRKPXAROWRTJRG-MSOLQXFVSA-N 1 3 324.509 2.911 20 0 DFADHO CC(C)C[C@@H](CNC(=O)[C@@H](N)C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000570160026 430518080 /nfs/dbraw/zinc/51/80/80/430518080.db2.gz UOEPXNHVGOJHRU-NJAFHUGGSA-N 1 3 319.493 2.851 20 0 DFADHO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000373392966 277786953 /nfs/dbraw/zinc/78/69/53/277786953.db2.gz KNAWYTMPEMHQNM-KURKYZTESA-N 1 3 307.526 2.959 20 0 DFADHO COc1cc(C[C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)ccn1 ZINC000639102345 430524184 /nfs/dbraw/zinc/52/41/84/430524184.db2.gz KCNKNUZMFSEGPE-OAHLLOKOSA-N 1 3 305.466 2.733 20 0 DFADHO COc1cc(C[C@@H](C)NCC(C)(C)C[NH+]2CCCC2)ccn1 ZINC000639102345 430524189 /nfs/dbraw/zinc/52/41/89/430524189.db2.gz KCNKNUZMFSEGPE-OAHLLOKOSA-N 1 3 305.466 2.733 20 0 DFADHO c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)CO2 ZINC000551063676 430549511 /nfs/dbraw/zinc/54/95/11/430549511.db2.gz YHTSBZFBODLZAJ-QGZVFWFLSA-N 1 3 300.446 2.987 20 0 DFADHO C[C@@H](CN(C)C)[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639168828 430551632 /nfs/dbraw/zinc/55/16/32/430551632.db2.gz VLJJYXQOZDTTSI-VDZJLULYSA-N 1 3 301.478 2.894 20 0 DFADHO Cc1ncc([C@@H](C)N2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000639177352 430556036 /nfs/dbraw/zinc/55/60/36/430556036.db2.gz SHGPUKJZZBTCEM-PBHICJAKSA-N 1 3 302.466 2.818 20 0 DFADHO CN1CCCC[C@@H]1CC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000551526134 430556134 /nfs/dbraw/zinc/55/61/34/430556134.db2.gz DGASFYQZFKZJBT-QGZVFWFLSA-N 1 3 302.466 2.832 20 0 DFADHO CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000639177658 430557740 /nfs/dbraw/zinc/55/77/40/430557740.db2.gz WTNBWQMHHDFPMV-PMACEKPBSA-N 1 3 316.489 2.908 20 0 DFADHO CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000639177658 430557741 /nfs/dbraw/zinc/55/77/41/430557741.db2.gz WTNBWQMHHDFPMV-PMACEKPBSA-N 1 3 316.489 2.908 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000639180270 430558540 /nfs/dbraw/zinc/55/85/40/430558540.db2.gz WDOONZKUVDOURU-GUDVDZBRSA-N 1 3 302.462 2.660 20 0 DFADHO CO[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000639180270 430558542 /nfs/dbraw/zinc/55/85/42/430558542.db2.gz WDOONZKUVDOURU-GUDVDZBRSA-N 1 3 302.462 2.660 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCn3ccnc3)C2)s1 ZINC000570686594 430568682 /nfs/dbraw/zinc/56/86/82/430568682.db2.gz FTOJDPMUXRKSFA-MRXNPFEDSA-N 1 3 318.490 2.707 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCn3ccnc3)C2)s1 ZINC000570686594 430568685 /nfs/dbraw/zinc/56/86/85/430568685.db2.gz FTOJDPMUXRKSFA-MRXNPFEDSA-N 1 3 318.490 2.707 20 0 DFADHO CC(C)CN1CCCC[C@@H]1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000552062658 430582302 /nfs/dbraw/zinc/58/23/02/430582302.db2.gz CGDHHUSETGNKCB-MKXGPGLRSA-N 1 3 307.526 2.959 20 0 DFADHO CCN(Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000643353314 430590620 /nfs/dbraw/zinc/59/06/20/430590620.db2.gz OZFKWXOVWGBIOZ-SFHVURJKSA-N 1 3 318.461 2.772 20 0 DFADHO C[C@H](NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000643453177 430602426 /nfs/dbraw/zinc/60/24/26/430602426.db2.gz MOHWEZFMSFBOHO-DEYYWGMASA-N 1 3 323.431 2.911 20 0 DFADHO CO[C@H](CNC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)CC(C)C ZINC000639287252 430599560 /nfs/dbraw/zinc/59/95/60/430599560.db2.gz YAUZZGUYOJOYNH-QYZOEREBSA-N 1 3 304.478 2.983 20 0 DFADHO CO[C@H](CNC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)CC(C)C ZINC000639287252 430599562 /nfs/dbraw/zinc/59/95/62/430599562.db2.gz YAUZZGUYOJOYNH-QYZOEREBSA-N 1 3 304.478 2.983 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453311 430602509 /nfs/dbraw/zinc/60/25/09/430602509.db2.gz ZVHJUVHCSURSSX-KEYYUXOJSA-N 1 3 307.869 2.754 20 0 DFADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885604 430654242 /nfs/dbraw/zinc/65/42/42/430654242.db2.gz CKAKBNQEKMTYGV-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885604 430654243 /nfs/dbraw/zinc/65/42/43/430654243.db2.gz CKAKBNQEKMTYGV-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885604 430654244 /nfs/dbraw/zinc/65/42/44/430654244.db2.gz CKAKBNQEKMTYGV-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885604 430654245 /nfs/dbraw/zinc/65/42/45/430654245.db2.gz CKAKBNQEKMTYGV-HKUYNNGSSA-N 1 3 310.445 2.788 20 0 DFADHO COc1ccc2[nH]cc(CC[NH2+][C@H](C)[C@@H]3CCCNC3)c2c1 ZINC000643453871 430602761 /nfs/dbraw/zinc/60/27/61/430602761.db2.gz DQUJNDHBYSFDMU-ZIAGYGMSSA-N 1 3 301.434 2.697 20 0 DFADHO Cc1ccc(CC[NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)cc1 ZINC000639308015 430604769 /nfs/dbraw/zinc/60/47/69/430604769.db2.gz JZLPKVJOOPOUQZ-OAQYLSRUSA-N 1 3 324.468 2.894 20 0 DFADHO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1C[C@@H](N)c3ccccc31)C2 ZINC000643477730 430607323 /nfs/dbraw/zinc/60/73/23/430607323.db2.gz IAMWLYVXGLXWTD-FSPWUOQZSA-N 1 3 310.397 2.733 20 0 DFADHO c1ccc2c(c1)CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000643478091 430607833 /nfs/dbraw/zinc/60/78/33/430607833.db2.gz XZVMFARSVGMFDT-YGWPLHOASA-N 1 3 314.473 2.538 20 0 DFADHO C[C@@]1(C[NH+]2CCC(N3CC[C@H](O)C3)CC2)C[C@H]1c1ccccc1 ZINC000639330509 430612513 /nfs/dbraw/zinc/61/25/13/430612513.db2.gz LFHIFRXEPLEQHD-UFYCRDLUSA-N 1 3 314.473 2.711 20 0 DFADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(-n2ccnn2)c1 ZINC000643523726 430612750 /nfs/dbraw/zinc/61/27/50/430612750.db2.gz MCYNJAJIUPXSCX-AWEZNQCLSA-N 1 3 319.412 2.721 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCNCC2)c(C)c1OC ZINC000643522534 430613090 /nfs/dbraw/zinc/61/30/90/430613090.db2.gz ONTPRGSDDJNSKV-XJKSGUPXSA-N 1 3 306.450 2.675 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CCC[NH2+]CC2)c(C)c1OC ZINC000643522534 430613094 /nfs/dbraw/zinc/61/30/94/430613094.db2.gz ONTPRGSDDJNSKV-XJKSGUPXSA-N 1 3 306.450 2.675 20 0 DFADHO FCCOCCN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639337244 430613802 /nfs/dbraw/zinc/61/38/02/430613802.db2.gz LEXAEKHMVYPALE-AEFFLSMTSA-N 1 3 306.425 2.930 20 0 DFADHO FCCOCCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639337244 430613803 /nfs/dbraw/zinc/61/38/03/430613803.db2.gz LEXAEKHMVYPALE-AEFFLSMTSA-N 1 3 306.425 2.930 20 0 DFADHO c1c2c(nn1-c1ccccc1)CCC[C@@H]2N[C@H]1CC12CC[NH2+]CC2 ZINC000643536663 430614617 /nfs/dbraw/zinc/61/46/17/430614617.db2.gz UJKAUXKJCDRVLY-HKUYNNGSSA-N 1 3 322.456 2.981 20 0 DFADHO O[C@@H](C[NH2+]CC1CCN(c2ccncc2)CC1)CC1CCCC1 ZINC000571315147 430619770 /nfs/dbraw/zinc/61/97/70/430619770.db2.gz CGORTYWLLZJVCU-LJQANCHMSA-N 1 3 317.477 2.829 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCN(Cc3c(F)cccc3F)C2)C1 ZINC000571344549 430622177 /nfs/dbraw/zinc/62/21/77/430622177.db2.gz UISNMZDMJSCIGT-ILXRZTDVSA-N 1 3 323.431 2.789 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)C1 ZINC000571344549 430622179 /nfs/dbraw/zinc/62/21/79/430622179.db2.gz UISNMZDMJSCIGT-ILXRZTDVSA-N 1 3 323.431 2.789 20 0 DFADHO CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000554095007 430627442 /nfs/dbraw/zinc/62/74/42/430627442.db2.gz ASSJIYBFUPLCMD-LWYYNNOASA-N 1 3 316.489 2.751 20 0 DFADHO COc1ccc([C@H](OC)[C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000571431468 430628090 /nfs/dbraw/zinc/62/80/90/430628090.db2.gz JGKHBXUEMVEIOZ-CXHZTBPHSA-N 1 3 306.450 2.749 20 0 DFADHO C[C@H]1OCC[C@@H]1C[N@@H+](C)[C@H]1CCCN(C[C@H]2CCO[C@H]2C)CC1 ZINC000639546953 430667791 /nfs/dbraw/zinc/66/77/91/430667791.db2.gz NKLZOXVAABMZAJ-ZRSRNVLSSA-N 1 3 324.509 2.623 20 0 DFADHO C[C@H]1OCC[C@@H]1C[N@H+](C)[C@H]1CCCN(C[C@H]2CCO[C@H]2C)CC1 ZINC000639546953 430667794 /nfs/dbraw/zinc/66/77/94/430667794.db2.gz NKLZOXVAABMZAJ-ZRSRNVLSSA-N 1 3 324.509 2.623 20 0 DFADHO C[C@H]1OCC[C@@H]1CN(C)[C@H]1CCC[N@H+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639546953 430667798 /nfs/dbraw/zinc/66/77/98/430667798.db2.gz NKLZOXVAABMZAJ-ZRSRNVLSSA-N 1 3 324.509 2.623 20 0 DFADHO C[C@H]1OCC[C@@H]1CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639546953 430667800 /nfs/dbraw/zinc/66/78/00/430667800.db2.gz NKLZOXVAABMZAJ-ZRSRNVLSSA-N 1 3 324.509 2.623 20 0 DFADHO CC[NH+]1CCC(CNC(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000572031811 430668539 /nfs/dbraw/zinc/66/85/39/430668539.db2.gz PDXSCLJGKKEYEH-QGZVFWFLSA-N 1 3 317.477 2.561 20 0 DFADHO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)[C@H]1CCCNC1 ZINC000572111566 430671757 /nfs/dbraw/zinc/67/17/57/430671757.db2.gz DPBJGGJGRJACFD-SZMVWBNQSA-N 1 3 304.478 2.766 20 0 DFADHO C[C@H](NC[C@@H](c1ccccc1)C(C)(C)CO)[C@H]1CCC[NH2+]C1 ZINC000572111566 430671759 /nfs/dbraw/zinc/67/17/59/430671759.db2.gz DPBJGGJGRJACFD-SZMVWBNQSA-N 1 3 304.478 2.766 20 0 DFADHO CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000556094036 430678891 /nfs/dbraw/zinc/67/88/91/430678891.db2.gz OPALQFZZWXGXBS-WMLDXEAASA-N 1 3 304.434 2.856 20 0 DFADHO CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000556094036 430678894 /nfs/dbraw/zinc/67/88/94/430678894.db2.gz OPALQFZZWXGXBS-WMLDXEAASA-N 1 3 304.434 2.856 20 0 DFADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@]1(O)CC[N@@H+](C)C1 ZINC000572678024 430694252 /nfs/dbraw/zinc/69/42/52/430694252.db2.gz FSYAPOYWTRDCDH-PKOBYXMFSA-N 1 3 313.445 2.510 20 0 DFADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@]1(O)CC[N@H+](C)C1 ZINC000572678024 430694254 /nfs/dbraw/zinc/69/42/54/430694254.db2.gz FSYAPOYWTRDCDH-PKOBYXMFSA-N 1 3 313.445 2.510 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000572896581 430697915 /nfs/dbraw/zinc/69/79/15/430697915.db2.gz WVQRWXALRIXDEL-WMZOPIPTSA-N 1 3 304.478 2.789 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000572896581 430697916 /nfs/dbraw/zinc/69/79/16/430697916.db2.gz WVQRWXALRIXDEL-WMZOPIPTSA-N 1 3 304.478 2.789 20 0 DFADHO C[C@H]1CC[C@@H](C[N@H+](C)CC2CCN(c3ccncc3)CC2)O1 ZINC000373699295 278377436 /nfs/dbraw/zinc/37/74/36/278377436.db2.gz IBANVXDHUBJGFH-YJBOKZPZSA-N 1 3 303.450 2.797 20 0 DFADHO C[C@H]1CC[C@@H](C[N@@H+](C)CC2CCN(c3ccncc3)CC2)O1 ZINC000373699295 278377439 /nfs/dbraw/zinc/37/74/39/278377439.db2.gz IBANVXDHUBJGFH-YJBOKZPZSA-N 1 3 303.450 2.797 20 0 DFADHO C[NH+]1CCC(NCc2cccc(COC[C@@H]3CCCO3)c2)CC1 ZINC000657803798 430741731 /nfs/dbraw/zinc/74/17/31/430741731.db2.gz SUOGNNCCKRPARE-IBGZPJMESA-N 1 3 318.461 2.566 20 0 DFADHO c1cc(CNCC2CC[NH+](CC3CC3)CC2)n(CC2CC2)n1 ZINC000657816059 430743365 /nfs/dbraw/zinc/74/33/65/430743365.db2.gz UPOJLXRKUNVYMT-UHFFFAOYSA-N 1 3 302.466 2.505 20 0 DFADHO C[C@@H](Cc1ccc2c(c1)CCCC2)NC[C@@H](O)C[NH+]1CCCC1 ZINC000657847804 430752766 /nfs/dbraw/zinc/75/27/66/430752766.db2.gz XEBJDHVSNUVQFS-OXJNMPFZSA-N 1 3 316.489 2.543 20 0 DFADHO CC[C@@H](Cc1ccc(Cl)cc1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000657847380 430752977 /nfs/dbraw/zinc/75/29/77/430752977.db2.gz UYFPCBCLECTXCU-DLBZAZTESA-N 1 3 310.869 2.707 20 0 DFADHO C[C@@H]1C[C@H](NCCC(=O)Nc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000644574918 430756236 /nfs/dbraw/zinc/75/62/36/430756236.db2.gz KDNUJJDILLKIGT-IUODEOHRSA-N 1 3 309.841 2.741 20 0 DFADHO C[C@@H]1C[C@H](NCCC(=O)Nc2ccc(Cl)cc2)CC[N@H+]1C ZINC000644574918 430756239 /nfs/dbraw/zinc/75/62/39/430756239.db2.gz KDNUJJDILLKIGT-IUODEOHRSA-N 1 3 309.841 2.741 20 0 DFADHO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000657891484 430760598 /nfs/dbraw/zinc/76/05/98/430760598.db2.gz ZVFILNYNPZCNGU-INIZCTEOSA-N 1 3 310.869 2.707 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCSCC2)C[C@@H](C)O1 ZINC000657918547 430767258 /nfs/dbraw/zinc/76/72/58/430767258.db2.gz DXIYIGPEVWMOEZ-OAGGEKHMSA-N 1 3 300.512 2.751 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCSCC2)C[C@@H](C)O1 ZINC000657918544 430767444 /nfs/dbraw/zinc/76/74/44/430767444.db2.gz DXIYIGPEVWMOEZ-BZUAXINKSA-N 1 3 300.512 2.751 20 0 DFADHO C[C@@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C(C)(C)C(F)F ZINC000657937299 430772802 /nfs/dbraw/zinc/77/28/02/430772802.db2.gz UHZOQCVESKTHMM-GFCCVEGCSA-N 1 3 315.408 2.791 20 0 DFADHO COc1cc(C)ccc1[C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000658110290 430814352 /nfs/dbraw/zinc/81/43/52/430814352.db2.gz XCDCBKHEIMPBMX-IRXDYDNUSA-N 1 3 321.509 2.926 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)cc2)C1 ZINC000658134346 430820312 /nfs/dbraw/zinc/82/03/12/430820312.db2.gz AKJPYQBCHXMBSA-VAMGGRTRSA-N 1 3 314.473 2.922 20 0 DFADHO CC1(C)CC[C@@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000658136620 430820521 /nfs/dbraw/zinc/82/05/21/430820521.db2.gz HNZGVVQAMZWOAW-MSOLQXFVSA-N 1 3 302.462 2.922 20 0 DFADHO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658136221 430820620 /nfs/dbraw/zinc/82/06/20/430820620.db2.gz CIZLFJYQXHJIGD-GUDVDZBRSA-N 1 3 302.462 2.922 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H]1C[C@@H]1C ZINC000658135295 430820660 /nfs/dbraw/zinc/82/06/60/430820660.db2.gz CZLKIXKVHGPKHA-FZDIXFNVSA-N 1 3 302.462 2.777 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)cc2)C1 ZINC000658134344 430820859 /nfs/dbraw/zinc/82/08/59/430820859.db2.gz AKJPYQBCHXMBSA-HSALFYBXSA-N 1 3 314.473 2.922 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)C1 ZINC000658136521 430821284 /nfs/dbraw/zinc/82/12/84/430821284.db2.gz HKEPRKREIOWQED-MSOLQXFVSA-N 1 3 300.446 2.676 20 0 DFADHO CC(C)[C@@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C1CC1 ZINC000658139902 430823148 /nfs/dbraw/zinc/82/31/48/430823148.db2.gz NZGSJBWPMHILRD-RTBURBONSA-N 1 3 302.462 2.777 20 0 DFADHO C[C@H](CC1CCC1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658141281 430824217 /nfs/dbraw/zinc/82/42/17/430824217.db2.gz SMBSHPWQXPMMCP-DNVCBOLYSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658142860 430824408 /nfs/dbraw/zinc/82/44/08/430824408.db2.gz FCAHAWYLZRYZJP-LZQZEXGQSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)[C@H]1CCCC[C@H]1C ZINC000648450653 430791508 /nfs/dbraw/zinc/79/15/08/430791508.db2.gz ZMABPLRHGFSSPP-MTNOOBJLSA-N 1 3 307.526 2.959 20 0 DFADHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cn1 ZINC000658067795 430798680 /nfs/dbraw/zinc/79/86/80/430798680.db2.gz QVORTJVGHJMCQY-AWEZNQCLSA-N 1 3 321.440 2.762 20 0 DFADHO CCc1cccc(C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000651708885 430855235 /nfs/dbraw/zinc/85/52/35/430855235.db2.gz DPDCTAWMGFDUSM-SFHVURJKSA-N 1 3 301.478 2.507 20 0 DFADHO C[C@@H]1CCN(C/C=C/C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661850638 430864623 /nfs/dbraw/zinc/86/46/23/430864623.db2.gz LTNDWJBNTOOTNX-XMURRGPJSA-N 1 3 310.482 2.541 20 0 DFADHO C[C@@H]1CCN(C/C=C/C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661850638 430864629 /nfs/dbraw/zinc/86/46/29/430864629.db2.gz LTNDWJBNTOOTNX-XMURRGPJSA-N 1 3 310.482 2.541 20 0 DFADHO C[C@H]1[C@H]([NH2+]CC2(N)CCCC2)CCCN1Cc1ccccc1 ZINC000665247003 430868494 /nfs/dbraw/zinc/86/84/94/430868494.db2.gz SXUOURINBSFMJT-FUHWJXTLSA-N 1 3 301.478 2.901 20 0 DFADHO C[C@H]1[C@H](NCC2([NH3+])CCCC2)CCCN1Cc1ccccc1 ZINC000665247003 430868502 /nfs/dbraw/zinc/86/85/02/430868502.db2.gz SXUOURINBSFMJT-FUHWJXTLSA-N 1 3 301.478 2.901 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000665266532 430876503 /nfs/dbraw/zinc/87/65/03/430876503.db2.gz DMSJUUXMDFBNMR-WBMJQRKESA-N 1 3 315.392 2.642 20 0 DFADHO CNC(=O)CC1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CCCCC1 ZINC000665275848 430879020 /nfs/dbraw/zinc/87/90/20/430879020.db2.gz TXDPVTHHOZJOIE-SJORKVTESA-N 1 3 315.461 2.807 20 0 DFADHO COc1cccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1C ZINC000658346129 430881826 /nfs/dbraw/zinc/88/18/26/430881826.db2.gz CVNRNTYUJBJKOS-GOSISDBHSA-N 1 3 318.461 2.737 20 0 DFADHO CC(C)N1CCC([NH2+]C[C@@H]2CCN2Cc2ccccc2)CC1 ZINC000658348406 430882838 /nfs/dbraw/zinc/88/28/38/430882838.db2.gz PMZWOONQLOEUPD-IBGZPJMESA-N 1 3 301.478 2.723 20 0 DFADHO CC(C)[NH+]1CCC(NC[C@@H]2CCN2Cc2ccccc2)CC1 ZINC000658348406 430882841 /nfs/dbraw/zinc/88/28/41/430882841.db2.gz PMZWOONQLOEUPD-IBGZPJMESA-N 1 3 301.478 2.723 20 0 DFADHO Cc1ccc([C@@H](CCn2cncn2)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665282530 430883911 /nfs/dbraw/zinc/88/39/11/430883911.db2.gz ZQSFNNZRVJFVHB-QZTJIDSGSA-N 1 3 315.465 2.681 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(c2ccccc2)CC1(C)C ZINC000665299307 430888203 /nfs/dbraw/zinc/88/82/03/430888203.db2.gz KERLXGQLIWYUFZ-PCODUJHASA-N 1 3 302.462 2.696 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@]1(c2ccccc2)CC1(C)C ZINC000665299307 430888210 /nfs/dbraw/zinc/88/82/10/430888210.db2.gz KERLXGQLIWYUFZ-PCODUJHASA-N 1 3 302.462 2.696 20 0 DFADHO COc1cc(OC)c(CNCCCC[N@H+](C)C2CC2)cc1F ZINC000651827756 430889855 /nfs/dbraw/zinc/88/98/55/430889855.db2.gz MPZXPDWHJSIFRZ-UHFFFAOYSA-N 1 3 310.413 2.807 20 0 DFADHO COc1cc(OC)c(CNCCCC[N@@H+](C)C2CC2)cc1F ZINC000651827756 430889860 /nfs/dbraw/zinc/88/98/60/430889860.db2.gz MPZXPDWHJSIFRZ-UHFFFAOYSA-N 1 3 310.413 2.807 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccc(COC[C@@H]3CCCO3)c2)C1 ZINC000665294638 430889942 /nfs/dbraw/zinc/88/99/42/430889942.db2.gz SLKJKLVWIYTXOX-QRVBRYPASA-N 1 3 318.461 2.742 20 0 DFADHO CC(C)CN(C)CCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000651866218 430899156 /nfs/dbraw/zinc/89/91/56/430899156.db2.gz ZMQJAFQFZXXQJR-UHFFFAOYSA-N 1 3 304.482 2.618 20 0 DFADHO CC(C)C[N@H+](C)CCCNC1CCN(c2ccccn2)CC1 ZINC000651866218 430899159 /nfs/dbraw/zinc/89/91/59/430899159.db2.gz ZMQJAFQFZXXQJR-UHFFFAOYSA-N 1 3 304.482 2.618 20 0 DFADHO CC(C)C[N@@H+](C)CCCNC1CCN(c2ccccn2)CC1 ZINC000651866218 430899165 /nfs/dbraw/zinc/89/91/65/430899165.db2.gz ZMQJAFQFZXXQJR-UHFFFAOYSA-N 1 3 304.482 2.618 20 0 DFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000648814370 430900776 /nfs/dbraw/zinc/90/07/76/430900776.db2.gz KANABCZAIXVAKD-LJQANCHMSA-N 1 3 318.461 2.630 20 0 DFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000648814370 430900783 /nfs/dbraw/zinc/90/07/83/430900783.db2.gz KANABCZAIXVAKD-LJQANCHMSA-N 1 3 318.461 2.630 20 0 DFADHO Cc1ccc(CN2CCCC2)cc1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648833194 430907161 /nfs/dbraw/zinc/90/71/61/430907161.db2.gz BBPHTHPLIAKKNA-NVXWUHKLSA-N 1 3 315.461 2.870 20 0 DFADHO Cc1ccc(CN2CCCC2)cc1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648833194 430907162 /nfs/dbraw/zinc/90/71/62/430907162.db2.gz BBPHTHPLIAKKNA-NVXWUHKLSA-N 1 3 315.461 2.870 20 0 DFADHO CC[N@H+](CCCN[C@H]1CCC(=O)NC1(C)C)C1CCCCC1 ZINC000651910462 430913587 /nfs/dbraw/zinc/91/35/87/430913587.db2.gz UTZJDSLULBXHIN-INIZCTEOSA-N 1 3 309.498 2.678 20 0 DFADHO CC[N@@H+](CCCN[C@H]1CCC(=O)NC1(C)C)C1CCCCC1 ZINC000651910462 430913589 /nfs/dbraw/zinc/91/35/89/430913589.db2.gz UTZJDSLULBXHIN-INIZCTEOSA-N 1 3 309.498 2.678 20 0 DFADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000659021032 430942071 /nfs/dbraw/zinc/94/20/71/430942071.db2.gz AKPZENGQPZAFJO-CYBMUJFWSA-N 1 3 316.449 2.532 20 0 DFADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000659021032 430942082 /nfs/dbraw/zinc/94/20/82/430942082.db2.gz AKPZENGQPZAFJO-CYBMUJFWSA-N 1 3 316.449 2.532 20 0 DFADHO CC(C)C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(F)cc1 ZINC000652143220 430971668 /nfs/dbraw/zinc/97/16/68/430971668.db2.gz SJGFMHCAPTUYHQ-QZTJIDSGSA-N 1 3 308.441 2.959 20 0 DFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000655353277 430974013 /nfs/dbraw/zinc/97/40/13/430974013.db2.gz SLUVHIDUZWIBGP-FGTMMUONSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000655353277 430974016 /nfs/dbraw/zinc/97/40/16/430974016.db2.gz SLUVHIDUZWIBGP-FGTMMUONSA-N 1 3 319.493 2.527 20 0 DFADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000645465125 431007982 /nfs/dbraw/zinc/00/79/82/431007982.db2.gz GLTOOOFEVRKRAU-YOEHRIQHSA-N 1 3 301.434 2.609 20 0 DFADHO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662256597 431020409 /nfs/dbraw/zinc/02/04/09/431020409.db2.gz WSQBBNGYUKYCSR-KBRIMQKVSA-N 1 3 304.409 2.730 20 0 DFADHO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662256597 431020413 /nfs/dbraw/zinc/02/04/13/431020413.db2.gz WSQBBNGYUKYCSR-KBRIMQKVSA-N 1 3 304.409 2.730 20 0 DFADHO CCc1nc(C)c([C@H](C)N(C)C[C@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662262044 431021004 /nfs/dbraw/zinc/02/10/04/431021004.db2.gz DATFCFLYKRJOHE-QWHCGFSZSA-N 1 3 309.479 2.528 20 0 DFADHO CN1CCN(Cc2cccc3c2CC[NH2+]C3)Cc2ccccc21 ZINC000662262540 431022137 /nfs/dbraw/zinc/02/21/37/431022137.db2.gz WFDBZBNAHMFRRL-UHFFFAOYSA-N 1 3 307.441 2.784 20 0 DFADHO CNC[C@@](C)(O)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000652336863 431024886 /nfs/dbraw/zinc/02/48/86/431024886.db2.gz IJRLXBGAEFAUOY-WOJBJXKFSA-N 1 3 310.441 2.605 20 0 DFADHO CNC[C@@](C)(O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000652336863 431024888 /nfs/dbraw/zinc/02/48/88/431024888.db2.gz IJRLXBGAEFAUOY-WOJBJXKFSA-N 1 3 310.441 2.605 20 0 DFADHO Clc1ccc([C@H]([NH2+]C[C@@H]2CCC3(CNC3)O2)C2CC2)cc1 ZINC000662283582 431032460 /nfs/dbraw/zinc/03/24/60/431032460.db2.gz VEKWHWRRRFWLPD-JKSUJKDBSA-N 1 3 306.837 2.902 20 0 DFADHO [NH3+]C[C@]12CCC[C@H]1CN(CCc1nsc3ccccc31)C2 ZINC000662284372 431032492 /nfs/dbraw/zinc/03/24/92/431032492.db2.gz HCTKAEQHGVTWQL-GUYCJALGSA-N 1 3 301.459 2.900 20 0 DFADHO NC[C@]12CCC[C@H]1C[N@H+](CCc1nsc3ccccc31)C2 ZINC000662284372 431032498 /nfs/dbraw/zinc/03/24/98/431032498.db2.gz HCTKAEQHGVTWQL-GUYCJALGSA-N 1 3 301.459 2.900 20 0 DFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCc1nsc3ccccc31)C2 ZINC000662284372 431032501 /nfs/dbraw/zinc/03/25/01/431032501.db2.gz HCTKAEQHGVTWQL-GUYCJALGSA-N 1 3 301.459 2.900 20 0 DFADHO CCC[C@@H](NC[C@@H]1CCC2(C[NH2+]C2)O1)c1ccc(F)cc1F ZINC000662283524 431032817 /nfs/dbraw/zinc/03/28/17/431032817.db2.gz USQRFXJWALFDDA-XJKSGUPXSA-N 1 3 310.388 2.917 20 0 DFADHO Cc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(C)n1 ZINC000652364147 431033303 /nfs/dbraw/zinc/03/33/03/431033303.db2.gz ZLZVKNQIUIXLLL-RCCFBDPRSA-N 1 3 303.450 2.559 20 0 DFADHO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662294888 431035368 /nfs/dbraw/zinc/03/53/68/431035368.db2.gz GJZVCWAKAODJHR-IRXDYDNUSA-N 1 3 300.446 2.961 20 0 DFADHO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662294888 431035371 /nfs/dbraw/zinc/03/53/71/431035371.db2.gz GJZVCWAKAODJHR-IRXDYDNUSA-N 1 3 300.446 2.961 20 0 DFADHO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662294889 431035399 /nfs/dbraw/zinc/03/53/99/431035399.db2.gz GJZVCWAKAODJHR-SJORKVTESA-N 1 3 300.446 2.961 20 0 DFADHO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662294889 431035403 /nfs/dbraw/zinc/03/54/03/431035403.db2.gz GJZVCWAKAODJHR-SJORKVTESA-N 1 3 300.446 2.961 20 0 DFADHO Fc1ccccc1C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662286961 431036511 /nfs/dbraw/zinc/03/65/11/431036511.db2.gz VFQGQVMPMJZWAH-IRXDYDNUSA-N 1 3 318.436 2.744 20 0 DFADHO Fc1ccccc1C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662286961 431036516 /nfs/dbraw/zinc/03/65/16/431036516.db2.gz VFQGQVMPMJZWAH-IRXDYDNUSA-N 1 3 318.436 2.744 20 0 DFADHO CC[C@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C(C)(C)O ZINC000295082657 288082176 /nfs/dbraw/zinc/08/21/76/288082176.db2.gz UCDXIRAQXSQDMK-PBHICJAKSA-N 1 3 308.466 2.827 20 0 DFADHO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cccc3c2CCNC3)cn1 ZINC000662310261 431041323 /nfs/dbraw/zinc/04/13/23/431041323.db2.gz IYZHJSNXGXNIDD-OXJNMPFZSA-N 1 3 324.472 2.567 20 0 DFADHO C[C@H](C1CC1)N(C(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+])C1CC1 ZINC000662316414 431043336 /nfs/dbraw/zinc/04/33/36/431043336.db2.gz WLUKZHSVPQCNBK-IIDMSEBBSA-N 1 3 321.509 2.615 20 0 DFADHO Cc1ccc(NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313676 431044136 /nfs/dbraw/zinc/04/41/36/431044136.db2.gz VRUIROHZVYLZBN-NVXWUHKLSA-N 1 3 303.450 2.773 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ccsc1 ZINC000649292672 431057765 /nfs/dbraw/zinc/05/77/65/431057765.db2.gz YHZLOAORWGFAJJ-VNQPRFMTSA-N 1 3 323.506 2.622 20 0 DFADHO [NH3+]CCCOC1CCN(CCc2nsc3ccccc32)CC1 ZINC000662248146 431013496 /nfs/dbraw/zinc/01/34/96/431013496.db2.gz VDENDWZWAFUHJV-UHFFFAOYSA-N 1 3 319.474 2.669 20 0 DFADHO C[C@@H](CNC(=O)C[C@@H]1NCc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000659291475 431013715 /nfs/dbraw/zinc/01/37/15/431013715.db2.gz GUEXDCUJDVMHGN-VKJFTORMSA-N 1 3 315.461 2.600 20 0 DFADHO C[C@@H](CNC(=O)C[C@@H]1NCc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000659291475 431013716 /nfs/dbraw/zinc/01/37/16/431013716.db2.gz GUEXDCUJDVMHGN-VKJFTORMSA-N 1 3 315.461 2.600 20 0 DFADHO CCC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@H]1CCc2ccccc21 ZINC000662252263 431016693 /nfs/dbraw/zinc/01/66/93/431016693.db2.gz NFVSEMOGRPQWBL-WMZOPIPTSA-N 1 3 300.446 2.907 20 0 DFADHO CCC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@H]1CCc2ccccc21 ZINC000662252263 431016699 /nfs/dbraw/zinc/01/66/99/431016699.db2.gz NFVSEMOGRPQWBL-WMZOPIPTSA-N 1 3 300.446 2.907 20 0 DFADHO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662258316 431017837 /nfs/dbraw/zinc/01/78/37/431017837.db2.gz VSPYBNCKZHGAOQ-MSOLQXFVSA-N 1 3 302.462 2.769 20 0 DFADHO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662258316 431017841 /nfs/dbraw/zinc/01/78/41/431017841.db2.gz VSPYBNCKZHGAOQ-MSOLQXFVSA-N 1 3 302.462 2.769 20 0 DFADHO Cc1cccc(C2([NH2+]C[C@H]3CCC4(CNC4)O3)CCCC2)c1 ZINC000662258597 431019041 /nfs/dbraw/zinc/01/90/41/431019041.db2.gz KVFBESMWEXAABN-QGZVFWFLSA-N 1 3 300.446 2.875 20 0 DFADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CS1 ZINC000655750987 431112498 /nfs/dbraw/zinc/11/24/98/431112498.db2.gz ILEPVSCJTNOKLH-ZTFGCOKTSA-N 1 3 320.502 2.627 20 0 DFADHO c1cc(COc2ccc(CNCCC[NH+]3CCC3)cc2)ccn1 ZINC000655755329 431116949 /nfs/dbraw/zinc/11/69/49/431116949.db2.gz YOMNEDBUHZNAKY-UHFFFAOYSA-N 1 3 311.429 2.846 20 0 DFADHO CC[C@@H]([NH2+]C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000662401656 431072145 /nfs/dbraw/zinc/07/21/45/431072145.db2.gz ZBVWTPGQXXRHNY-QZTJIDSGSA-N 1 3 317.477 2.574 20 0 DFADHO CC(C)[NH+](CCCNC(=O)c1cccc2c1CNC2)C(C)C ZINC000662484396 431095948 /nfs/dbraw/zinc/09/59/48/431095948.db2.gz AKZXPKGNUQCWTG-UHFFFAOYSA-N 1 3 303.450 2.529 20 0 DFADHO CCN(C(=O)C[NH2+]C(C)C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000662503819 431098759 /nfs/dbraw/zinc/09/87/59/431098759.db2.gz XWWBWKUZLATXOL-FUHWJXTLSA-N 1 3 317.477 2.668 20 0 DFADHO C[N@H+](CCCNC(=O)c1cccc2c1CNC2)C1CCCCC1 ZINC000662526184 431107450 /nfs/dbraw/zinc/10/74/50/431107450.db2.gz UJKAZIOBMVAEGY-UHFFFAOYSA-N 1 3 315.461 2.674 20 0 DFADHO C[N@@H+](CCCNC(=O)c1cccc2c1CNC2)C1CCCCC1 ZINC000662526184 431107453 /nfs/dbraw/zinc/10/74/53/431107453.db2.gz UJKAZIOBMVAEGY-UHFFFAOYSA-N 1 3 315.461 2.674 20 0 DFADHO CCN(CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)CCC(F)(F)F ZINC000353608011 279206973 /nfs/dbraw/zinc/20/69/73/279206973.db2.gz QUOHMZNVIKGBBM-ZNMIVQPWSA-N 1 3 321.431 2.723 20 0 DFADHO CCN(CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)CCC(F)(F)F ZINC000353608011 279206977 /nfs/dbraw/zinc/20/69/77/279206977.db2.gz QUOHMZNVIKGBBM-ZNMIVQPWSA-N 1 3 321.431 2.723 20 0 DFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000662692860 431163958 /nfs/dbraw/zinc/16/39/58/431163958.db2.gz GZJLAMVBXUJMFG-GVDBMIGSSA-N 1 3 309.498 2.521 20 0 DFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000662691804 431166093 /nfs/dbraw/zinc/16/60/93/431166093.db2.gz AUUYOFHUHWOXHI-FUHWJXTLSA-N 1 3 317.477 2.703 20 0 DFADHO COCC1(C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000655817471 431166505 /nfs/dbraw/zinc/16/65/05/431166505.db2.gz LFMXFHOJTLBEGA-HNNXBMFYSA-N 1 3 306.450 2.704 20 0 DFADHO COc1ccc(OC(F)F)c(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655827543 431173313 /nfs/dbraw/zinc/17/33/13/431173313.db2.gz TVTLKYHTDFPFLA-BJHJDKERSA-N 1 3 314.376 2.726 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000659911257 431183410 /nfs/dbraw/zinc/18/34/10/431183410.db2.gz WNCMSWGKTGQKNN-FCGDIQPGSA-N 1 3 305.510 2.525 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000659911257 431183415 /nfs/dbraw/zinc/18/34/15/431183415.db2.gz WNCMSWGKTGQKNN-FCGDIQPGSA-N 1 3 305.510 2.525 20 0 DFADHO CCC[NH+]1CCC(N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000666353045 431201838 /nfs/dbraw/zinc/20/18/38/431201838.db2.gz QMDLBORNYOGXTC-RBUKOAKNSA-N 1 3 301.478 2.896 20 0 DFADHO CCCN1CCC([NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000666353045 431201844 /nfs/dbraw/zinc/20/18/44/431201844.db2.gz QMDLBORNYOGXTC-RBUKOAKNSA-N 1 3 301.478 2.896 20 0 DFADHO [NH3+]C[C@H](NC(=O)C1(NC2CC2)CCC1)c1ccc2ccccc2c1 ZINC000662774527 431189824 /nfs/dbraw/zinc/18/98/24/431189824.db2.gz NBPFBPYPEZSXBJ-SFHVURJKSA-N 1 3 323.440 2.631 20 0 DFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662787753 431194457 /nfs/dbraw/zinc/19/44/57/431194457.db2.gz FEDUDCWHWWKHCM-BFYDXBDKSA-N 1 3 319.493 2.525 20 0 DFADHO [NH3+]CCC[C@H](NC(=O)c1cccc2c1CCNC2)c1ccccc1 ZINC000662815191 431203202 /nfs/dbraw/zinc/20/32/02/431203202.db2.gz NTKNTJANICQIOF-IBGZPJMESA-N 1 3 323.440 2.542 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000653043215 431239444 /nfs/dbraw/zinc/23/94/44/431239444.db2.gz HYUHCLLZRKHDIX-QZTJIDSGSA-N 1 3 317.477 2.575 20 0 DFADHO [NH3+]Cc1cccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000653043443 431240948 /nfs/dbraw/zinc/24/09/48/431240948.db2.gz WPODOMAPJCWWAS-CHWSQXEVSA-N 1 3 316.323 2.831 20 0 DFADHO CC(C)N(C)C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000660066382 431254493 /nfs/dbraw/zinc/25/44/93/431254493.db2.gz ZHZCXQOZSWZEKY-ROUUACIJSA-N 1 3 308.441 2.958 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)C1 ZINC000660114693 431276743 /nfs/dbraw/zinc/27/67/43/431276743.db2.gz JURFNLGHVZQFOV-HLNWXESRSA-N 1 3 319.537 2.913 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)C1 ZINC000660114693 431276749 /nfs/dbraw/zinc/27/67/49/431276749.db2.gz JURFNLGHVZQFOV-HLNWXESRSA-N 1 3 319.537 2.913 20 0 DFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000653152281 431285066 /nfs/dbraw/zinc/28/50/66/431285066.db2.gz HVRLLGYIRJASDK-DLBZAZTESA-N 1 3 301.434 2.526 20 0 DFADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000660150885 431291020 /nfs/dbraw/zinc/29/10/20/431291020.db2.gz MSCGZPFSTXDNIW-CEXWTWQISA-N 1 3 319.537 2.913 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646408828 431300809 /nfs/dbraw/zinc/30/08/09/431300809.db2.gz LRFJNOFXLUASIA-SJLPKXTDSA-N 1 3 317.477 2.718 20 0 DFADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000656196031 431303057 /nfs/dbraw/zinc/30/30/57/431303057.db2.gz UHTKTSFOUAEFSB-MGPQQGTHSA-N 1 3 309.404 2.651 20 0 DFADHO CN1CCC[C@@H](N2CC[NH+](C[C@H]3CCCCC3(C)C)CC2)C1 ZINC000660074804 431260204 /nfs/dbraw/zinc/26/02/04/431260204.db2.gz QMAFGRSGJCZGEQ-QZTJIDSGSA-N 1 3 307.526 2.915 20 0 DFADHO CC(C)[C@H](Cc1ccc(F)cc1)NC[C@@H](O)C[N@H+](C)C(C)C ZINC000660213577 431323638 /nfs/dbraw/zinc/32/36/38/431323638.db2.gz SROZNCITDOVIDS-MSOLQXFVSA-N 1 3 310.457 2.684 20 0 DFADHO CC(C)[C@H](Cc1ccc(F)cc1)NC[C@@H](O)C[N@@H+](C)C(C)C ZINC000660213577 431323644 /nfs/dbraw/zinc/32/36/44/431323644.db2.gz SROZNCITDOVIDS-MSOLQXFVSA-N 1 3 310.457 2.684 20 0 DFADHO c1cc(N2CCC([NH2+][C@H]3CCCN4CCCC[C@H]34)CC2)ccn1 ZINC000656278448 431353418 /nfs/dbraw/zinc/35/34/18/431353418.db2.gz REKGKERIFOQDIT-RBUKOAKNSA-N 1 3 314.477 2.657 20 0 DFADHO Fc1cc(Br)ccc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666952117 431423043 /nfs/dbraw/zinc/42/30/43/431423043.db2.gz GNAXEYDDTBPHAQ-ZDUSSCGKSA-N 1 3 313.214 2.820 20 0 DFADHO Brc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000666952525 431423221 /nfs/dbraw/zinc/42/32/21/431423221.db2.gz ZQCVAFDGBUYKDD-SNVBAGLBSA-N 1 3 301.253 2.742 20 0 DFADHO CC(C)C[N@@H+]1CC[C@@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC000663360493 431384792 /nfs/dbraw/zinc/38/47/92/431384792.db2.gz POKZEDVTKLARIC-KRWDZBQOSA-N 1 3 317.477 2.607 20 0 DFADHO CC(C)C[N@H+]1CC[C@@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC000663360493 431384798 /nfs/dbraw/zinc/38/47/98/431384798.db2.gz POKZEDVTKLARIC-KRWDZBQOSA-N 1 3 317.477 2.607 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1nc2ccccc2n1C ZINC000091369116 279761857 /nfs/dbraw/zinc/76/18/57/279761857.db2.gz IXAGRPVEMCCDRW-CABCVRRESA-N 1 3 318.465 2.581 20 0 DFADHO CN(C)Cc1ccc(-c2noc([C@@H]3C[C@]34CCC[NH2+]C4)n2)cc1 ZINC000653490546 431400694 /nfs/dbraw/zinc/40/06/94/431400694.db2.gz MUOVMTUQCHHFMZ-YJBOKZPZSA-N 1 3 312.417 2.655 20 0 DFADHO COc1cnccc1N1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000660452922 431437261 /nfs/dbraw/zinc/43/72/61/431437261.db2.gz DMBLOBJLQFXLOP-OAGGEKHMSA-N 1 3 301.434 2.648 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995291 431437301 /nfs/dbraw/zinc/43/73/01/431437301.db2.gz JSNNAZPBOIPUSG-CZUORRHYSA-N 1 3 319.424 2.807 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995291 431437306 /nfs/dbraw/zinc/43/73/06/431437306.db2.gz JSNNAZPBOIPUSG-CZUORRHYSA-N 1 3 319.424 2.807 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995342 431437436 /nfs/dbraw/zinc/43/74/36/431437436.db2.gz KJQQWQYSQHMKQZ-XJKSGUPXSA-N 1 3 319.424 2.807 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995342 431437442 /nfs/dbraw/zinc/43/74/42/431437442.db2.gz KJQQWQYSQHMKQZ-XJKSGUPXSA-N 1 3 319.424 2.807 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)cc1OC ZINC000666995242 431438961 /nfs/dbraw/zinc/43/89/61/431438961.db2.gz HMHWJCLTWGJOLF-HOCLYGCPSA-N 1 3 318.461 2.899 20 0 DFADHO COc1ccc(C[C@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666995242 431438969 /nfs/dbraw/zinc/43/89/69/431438969.db2.gz HMHWJCLTWGJOLF-HOCLYGCPSA-N 1 3 318.461 2.899 20 0 DFADHO C[C@@H]1C[NH2+]CC[C@@H]1CN1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000663493817 431443634 /nfs/dbraw/zinc/44/36/34/431443634.db2.gz KKPXUWQKYQVNFI-FRFSOERESA-N 1 3 307.869 2.532 20 0 DFADHO CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466565 431431787 /nfs/dbraw/zinc/43/17/87/431431787.db2.gz VOGKQFWNUUDEIT-QZTJIDSGSA-N 1 3 304.482 2.619 20 0 DFADHO COc1cccc(SCC[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000660617368 431516764 /nfs/dbraw/zinc/51/67/64/431516764.db2.gz XITSYYMWCCZWAS-QGZVFWFLSA-N 1 3 306.475 2.815 20 0 DFADHO COc1cccc(SCC[N@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000660617368 431516768 /nfs/dbraw/zinc/51/67/68/431516768.db2.gz XITSYYMWCCZWAS-QGZVFWFLSA-N 1 3 306.475 2.815 20 0 DFADHO CC(=O)Nc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656783810 431520155 /nfs/dbraw/zinc/52/01/55/431520155.db2.gz ACNQNPLDCVRQLR-SFHVURJKSA-N 1 3 315.461 2.857 20 0 DFADHO Cn1c2ccccc2nc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786514 431522372 /nfs/dbraw/zinc/52/23/72/431522372.db2.gz TZNJHQMTONUGAB-INIZCTEOSA-N 1 3 312.461 2.785 20 0 DFADHO Clc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCCNCC2)C1 ZINC000656787358 431522428 /nfs/dbraw/zinc/52/24/28/431522428.db2.gz IHNHBJWZHGZDKN-HUUCEWRRSA-N 1 3 307.869 2.898 20 0 DFADHO CCOc1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656786293 431523664 /nfs/dbraw/zinc/52/36/64/431523664.db2.gz RYQIXTNUDAKINT-MRXNPFEDSA-N 1 3 303.450 2.692 20 0 DFADHO CC(C)n1cncc1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647249129 431526885 /nfs/dbraw/zinc/52/68/85/431526885.db2.gz DELCBRFXZLDPJK-MJGOQNOKSA-N 1 3 312.461 2.899 20 0 DFADHO CC(C)[N@H+](C)C[C@H](O)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000660562749 431493740 /nfs/dbraw/zinc/49/37/40/431493740.db2.gz NTPDVMAJKPNCFE-MJBXVCDLSA-N 1 3 310.404 2.740 20 0 DFADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000660562749 431493744 /nfs/dbraw/zinc/49/37/44/431493744.db2.gz NTPDVMAJKPNCFE-MJBXVCDLSA-N 1 3 310.404 2.740 20 0 DFADHO COc1ncncc1CNC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000647196172 431505328 /nfs/dbraw/zinc/50/53/28/431505328.db2.gz RENFZUIHLPFXSS-UHFFFAOYSA-N 1 3 318.465 2.618 20 0 DFADHO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647344743 431562529 /nfs/dbraw/zinc/56/25/29/431562529.db2.gz YHPDCRIJVNECBN-YJLNNSPDSA-N 1 3 312.461 2.725 20 0 DFADHO COc1ccc([C@H](CC(C)C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000647284226 431537022 /nfs/dbraw/zinc/53/70/22/431537022.db2.gz IJUGJBMPIMQOKL-HKUYNNGSSA-N 1 3 320.477 2.829 20 0 DFADHO Cn1cncc1CCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660680192 431547300 /nfs/dbraw/zinc/54/73/00/431547300.db2.gz QYMKEXJVUSVBND-UHFFFAOYSA-N 1 3 312.461 2.607 20 0 DFADHO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000656865960 431554697 /nfs/dbraw/zinc/55/46/97/431554697.db2.gz JJJFVAVNVUNROM-MAEOIBBWSA-N 1 3 306.450 2.673 20 0 DFADHO CC(C)n1cc(C2=CCC[N@H+](CC[C@@H]3CCCN3C)CC2)nn1 ZINC000660716830 431564805 /nfs/dbraw/zinc/56/48/05/431564805.db2.gz AZECIARSGLOHAM-KRWDZBQOSA-N 1 3 317.481 2.823 20 0 DFADHO CC(C)n1cc(C2=CCC[N@@H+](CC[C@@H]3CCCN3C)CC2)nn1 ZINC000660716830 431564812 /nfs/dbraw/zinc/56/48/12/431564812.db2.gz AZECIARSGLOHAM-KRWDZBQOSA-N 1 3 317.481 2.823 20 0 DFADHO CCC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CCNCC1 ZINC000647484394 431603429 /nfs/dbraw/zinc/60/34/29/431603429.db2.gz ACQBECYUESCHAH-UHFFFAOYSA-N 1 3 315.461 2.543 20 0 DFADHO CCC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CCNCC1 ZINC000647484394 431603437 /nfs/dbraw/zinc/60/34/37/431603437.db2.gz ACQBECYUESCHAH-UHFFFAOYSA-N 1 3 315.461 2.543 20 0 DFADHO CCOc1ccccc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705346 431652929 /nfs/dbraw/zinc/65/29/29/431652929.db2.gz FAMTZQJDZUXREV-YQVWRLOYSA-N 1 3 318.461 2.804 20 0 DFADHO COCCOc1cccc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000650710877 431656101 /nfs/dbraw/zinc/65/61/01/431656101.db2.gz BLTTWCBVEFMPBR-CRAIPNDOSA-N 1 3 306.450 2.661 20 0 DFADHO COCCOc1ccc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000650711238 431657291 /nfs/dbraw/zinc/65/72/91/431657291.db2.gz MRVXWKVRPFPEKF-CRAIPNDOSA-N 1 3 306.450 2.661 20 0 DFADHO COc1ccc(Br)c(CNCCC2(C[NH3+])CC2)c1 ZINC000650712517 431660253 /nfs/dbraw/zinc/66/02/53/431660253.db2.gz HSVUCHRZBCMMAK-UHFFFAOYSA-N 1 3 313.239 2.676 20 0 DFADHO CC[C@H]1CN(Cc2ccc(C)cc2-c2cnn(C)c2)CC[C@H]1[NH3+] ZINC000647497750 431606706 /nfs/dbraw/zinc/60/67/06/431606706.db2.gz TWIRIQFQIJKDHD-HNAYVOBHSA-N 1 3 312.461 2.955 20 0 DFADHO Fc1ccccc1COC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000647538495 431622362 /nfs/dbraw/zinc/62/23/62/431622362.db2.gz VDKVNSJVYWEFIY-OAHLLOKOSA-N 1 3 306.425 2.806 20 0 DFADHO COc1cc(C)nc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542866 431623889 /nfs/dbraw/zinc/62/38/89/431623889.db2.gz DCDPQQBORFXGNT-HOTGVXAUSA-N 1 3 303.450 2.610 20 0 DFADHO COc1c(O)cccc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543122 431624722 /nfs/dbraw/zinc/62/47/22/431624722.db2.gz HVNCLXWGSZIZCL-GJZGRUSLSA-N 1 3 304.434 2.612 20 0 DFADHO Cc1nn(C(C)C)cc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544351 431624943 /nfs/dbraw/zinc/62/49/43/431624943.db2.gz ZEXKGCFCAKFSBH-IRXDYDNUSA-N 1 3 304.482 2.984 20 0 DFADHO COc1cc(C)nc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542867 431625786 /nfs/dbraw/zinc/62/57/86/431625786.db2.gz DCDPQQBORFXGNT-HZPDHXFCSA-N 1 3 303.450 2.610 20 0 DFADHO COc1cccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1OC ZINC000647543226 431626216 /nfs/dbraw/zinc/62/62/16/431626216.db2.gz JRWOYECSDBXAGS-HOTGVXAUSA-N 1 3 318.461 2.915 20 0 DFADHO C[C@@H]1CNC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000647550719 431626995 /nfs/dbraw/zinc/62/69/95/431626995.db2.gz DQPQRXBUMRTICQ-XJKSGUPXSA-N 1 3 323.431 2.517 20 0 DFADHO C[C@@H]1C[NH2+]C[C@H](NC2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000647550719 431626999 /nfs/dbraw/zinc/62/69/99/431626999.db2.gz DQPQRXBUMRTICQ-XJKSGUPXSA-N 1 3 323.431 2.517 20 0 DFADHO c1coc(-c2nc(CN[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cs2)c1 ZINC000647549910 431627732 /nfs/dbraw/zinc/62/77/32/431627732.db2.gz XLTXMHMXSMBQBX-FRRDWIJNSA-N 1 3 303.431 2.881 20 0 DFADHO Cc1nc(C)c(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723233 431664505 /nfs/dbraw/zinc/66/45/05/431664505.db2.gz JXZLKMAQSRVQLS-RBSFLKMASA-N 1 3 309.479 2.621 20 0 DFADHO COc1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650722240 431664806 /nfs/dbraw/zinc/66/48/06/431664806.db2.gz NTPBTDYWUWWKIB-NXHRZFHOSA-N 1 3 304.434 2.556 20 0 DFADHO Cc1ccc(F)cc1CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723264 431665540 /nfs/dbraw/zinc/66/55/40/431665540.db2.gz KMPIUTMMPONRAC-KURKYZTESA-N 1 3 306.425 2.995 20 0 DFADHO CCN1CCN(CCC[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657308049 431665627 /nfs/dbraw/zinc/66/56/27/431665627.db2.gz LTOKNHCFHARVPV-UHFFFAOYSA-N 1 3 307.526 2.963 20 0 DFADHO COc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1C ZINC000650721858 431665729 /nfs/dbraw/zinc/66/57/29/431665729.db2.gz DGYDTMVZIXGVIE-ZHALLVOQSA-N 1 3 318.461 2.864 20 0 DFADHO Cc1ccc(F)c(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650723538 431666676 /nfs/dbraw/zinc/66/66/76/431666676.db2.gz PUMMCHHHDPNZAD-KBAYOESNSA-N 1 3 306.425 2.995 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2scnc2C2CC2)C1 ZINC000650725213 431668964 /nfs/dbraw/zinc/66/89/64/431668964.db2.gz VVILKLVHRLHUJR-KFWWJZLASA-N 1 3 321.490 2.881 20 0 DFADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000657337465 431683221 /nfs/dbraw/zinc/68/32/21/431683221.db2.gz VSVROEZJAXHPTB-AEFFLSMTSA-N 1 3 320.477 2.922 20 0 DFADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccccc1-n1ccnn1 ZINC000650756189 431683210 /nfs/dbraw/zinc/68/32/10/431683210.db2.gz WGPMGXPYLNPQNH-OAHLLOKOSA-N 1 3 321.428 2.838 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000650761435 431685435 /nfs/dbraw/zinc/68/54/35/431685435.db2.gz ZTXWNOSVUDOWHZ-YPMHNXCESA-N 1 3 312.360 2.528 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1ccc2c(c1)OC(F)(F)O2 ZINC000650761435 431685441 /nfs/dbraw/zinc/68/54/41/431685441.db2.gz ZTXWNOSVUDOWHZ-YPMHNXCESA-N 1 3 312.360 2.528 20 0 DFADHO CC[C@H]([NH2+]CCc1cn2c(cccc2C)n1)[C@@H]1CCCCN1 ZINC000647804241 431693591 /nfs/dbraw/zinc/69/35/91/431693591.db2.gz MGJDLXGAZNOKFC-IRXDYDNUSA-N 1 3 300.450 2.696 20 0 DFADHO CC[C@@H]1C[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CO1 ZINC000657358486 431698840 /nfs/dbraw/zinc/69/88/40/431698840.db2.gz WYEFDIRWHONPCT-ZWKOTPCHSA-N 1 3 318.461 2.818 20 0 DFADHO CC[C@@H]1CN(CCC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647937432 431737863 /nfs/dbraw/zinc/73/78/63/431737863.db2.gz ZBWBEWDGWXNNBS-DOMZBBRYSA-N 1 3 309.841 2.728 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@@H](C)N(C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000647964465 431753137 /nfs/dbraw/zinc/75/31/37/431753137.db2.gz LNFBKQVMPVYPAY-KZNAEPCWSA-N 1 3 304.478 2.874 20 0 DFADHO Cc1ccccc1[C@@H]1C[C@@H](C)N(C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000647964465 431753141 /nfs/dbraw/zinc/75/31/41/431753141.db2.gz LNFBKQVMPVYPAY-KZNAEPCWSA-N 1 3 304.478 2.874 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000647964571 431754019 /nfs/dbraw/zinc/75/40/19/431754019.db2.gz PGMJDZLIJILYRE-PBHICJAKSA-N 1 3 312.885 2.904 20 0 DFADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000647964571 431754022 /nfs/dbraw/zinc/75/40/22/431754022.db2.gz PGMJDZLIJILYRE-PBHICJAKSA-N 1 3 312.885 2.904 20 0 DFADHO Cc1ccc2cc(C[NH2+]CCN3CCN(C)C(C)(C)C3)[nH]c2c1 ZINC000657457750 431762677 /nfs/dbraw/zinc/76/26/77/431762677.db2.gz BWTLIUNCOPOHDU-UHFFFAOYSA-N 1 3 314.477 2.592 20 0 DFADHO Fc1ccccc1OCCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975882 431763147 /nfs/dbraw/zinc/76/31/47/431763147.db2.gz HDVWKRKPZAADAZ-JKSUJKDBSA-N 1 3 306.425 2.916 20 0 DFADHO CCc1cc2c(ncnc2NCC[N@H+](C)CCCN(C)C)s1 ZINC000664247403 431715539 /nfs/dbraw/zinc/71/55/39/431715539.db2.gz LYFXVRYLTDGLFQ-UHFFFAOYSA-N 1 3 321.494 2.549 20 0 DFADHO CCc1cc2c(ncnc2NCC[N@@H+](C)CCCN(C)C)s1 ZINC000664247403 431715543 /nfs/dbraw/zinc/71/55/43/431715543.db2.gz LYFXVRYLTDGLFQ-UHFFFAOYSA-N 1 3 321.494 2.549 20 0 DFADHO CCc1nc2sccc2c(NCC[N@H+](C)CCCN(C)C)n1 ZINC000664247896 431716078 /nfs/dbraw/zinc/71/60/78/431716078.db2.gz JWJUCBHNPPPEPB-UHFFFAOYSA-N 1 3 321.494 2.549 20 0 DFADHO CCc1nc2sccc2c(NCC[N@@H+](C)CCCN(C)C)n1 ZINC000664247896 431716081 /nfs/dbraw/zinc/71/60/81/431716081.db2.gz JWJUCBHNPPPEPB-UHFFFAOYSA-N 1 3 321.494 2.549 20 0 DFADHO CN(Cc1cccnc1)C[C@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000647878313 431717076 /nfs/dbraw/zinc/71/70/76/431717076.db2.gz XUROQNUOAMYHOH-MRXNPFEDSA-N 1 3 321.428 2.916 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)[C@H]1CC1(C)C ZINC000657597276 431820226 /nfs/dbraw/zinc/82/02/26/431820226.db2.gz SADYJWQYYWLHCL-JCGIZDLHSA-N 1 3 302.462 2.777 20 0 DFADHO Cc1sccc1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657595805 431820287 /nfs/dbraw/zinc/82/02/87/431820287.db2.gz KCPFIBIBUBFBJZ-SFHVURJKSA-N 1 3 316.470 2.913 20 0 DFADHO Cc1sccc1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657595805 431820290 /nfs/dbraw/zinc/82/02/90/431820290.db2.gz KCPFIBIBUBFBJZ-SFHVURJKSA-N 1 3 316.470 2.913 20 0 DFADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)[C@@H]1CC1(C)C ZINC000657597277 431821651 /nfs/dbraw/zinc/82/16/51/431821651.db2.gz SADYJWQYYWLHCL-QGTPRVQTSA-N 1 3 302.462 2.777 20 0 DFADHO Cc1nc(CNCC2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000657612264 431824595 /nfs/dbraw/zinc/82/45/95/431824595.db2.gz KTTUJUQYIYHDHC-UHFFFAOYSA-N 1 3 316.474 2.848 20 0 DFADHO CCc1nocc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613276 431825950 /nfs/dbraw/zinc/82/59/50/431825950.db2.gz KFVUPTHOKNDEDK-UHFFFAOYSA-N 1 3 314.433 2.634 20 0 DFADHO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)O1 ZINC000657662623 431833741 /nfs/dbraw/zinc/83/37/41/431833741.db2.gz DKHBPRKISPJWCG-QAPCUYQASA-N 1 3 306.450 2.674 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000357629164 282024241 /nfs/dbraw/zinc/02/42/41/282024241.db2.gz DLHCAKAKZWVCEQ-CVEARBPZSA-N 1 3 311.514 2.780 20 0 DFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000273188574 282026470 /nfs/dbraw/zinc/02/64/70/282026470.db2.gz INDBZORFGUOPLM-GDBMZVCRSA-N 1 3 305.466 2.572 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353640730 290220765 /nfs/dbraw/zinc/22/07/65/290220765.db2.gz HNMKIXIMOPIHJM-YHDCXSKOSA-N 1 3 314.473 2.615 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353640730 290220768 /nfs/dbraw/zinc/22/07/68/290220768.db2.gz HNMKIXIMOPIHJM-YHDCXSKOSA-N 1 3 314.473 2.615 20 0 DFADHO CC[NH+](CC)CC1CCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000436244189 296994077 /nfs/dbraw/zinc/99/40/77/296994077.db2.gz CEWOIUFTRSNSAL-ULQDDVLXSA-N 1 3 323.525 2.828 20 0 DFADHO Cc1ccc2nccc(N3CCC([N@@H+](C)C[C@@H](C)O)CC3)c2c1 ZINC000436433079 297003160 /nfs/dbraw/zinc/00/31/60/297003160.db2.gz MHQBPHZCQKNARU-OAHLLOKOSA-N 1 3 313.445 2.825 20 0 DFADHO Cc1ccc2nccc(N3CCC([N@H+](C)C[C@@H](C)O)CC3)c2c1 ZINC000436433079 297003162 /nfs/dbraw/zinc/00/31/62/297003162.db2.gz MHQBPHZCQKNARU-OAHLLOKOSA-N 1 3 313.445 2.825 20 0 DFADHO O[C@@H]1CCCC[C@@H]1CCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000436470069 297004396 /nfs/dbraw/zinc/00/43/96/297004396.db2.gz HYJMFHWPEGMESZ-VQIMIIECSA-N 1 3 317.477 2.971 20 0 DFADHO Cc1ccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1C ZINC000154375739 295298587 /nfs/dbraw/zinc/29/85/87/295298587.db2.gz KDAVJLYIUGJEGL-SFHVURJKSA-N 1 3 303.494 2.982 20 0 DFADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000154445883 295300441 /nfs/dbraw/zinc/30/04/41/295300441.db2.gz DHAHCQGPYROVAY-BEFAXECRSA-N 1 3 319.468 2.676 20 0 DFADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000154445665 295300464 /nfs/dbraw/zinc/30/04/64/295300464.db2.gz DHAHCQGPYROVAY-DNVCBOLYSA-N 1 3 319.468 2.676 20 0 DFADHO COCCOc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000158144713 295358948 /nfs/dbraw/zinc/35/89/48/295358948.db2.gz PLHULKAATNACGL-HZPDHXFCSA-N 1 3 306.450 2.704 20 0 DFADHO COCCOc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158144713 295358950 /nfs/dbraw/zinc/35/89/50/295358950.db2.gz PLHULKAATNACGL-HZPDHXFCSA-N 1 3 306.450 2.704 20 0 DFADHO CCC[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccccn1 ZINC000159090344 295371660 /nfs/dbraw/zinc/37/16/60/295371660.db2.gz ADXMFXVSVAMXLU-IAGOWNOFSA-N 1 3 305.466 2.749 20 0 DFADHO CCC[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccccn1 ZINC000159090344 295371661 /nfs/dbraw/zinc/37/16/61/295371661.db2.gz ADXMFXVSVAMXLU-IAGOWNOFSA-N 1 3 305.466 2.749 20 0 DFADHO CCN1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000411365053 295535852 /nfs/dbraw/zinc/53/58/52/295535852.db2.gz MTKOKKUZBPOVJM-SJORKVTESA-N 1 3 323.525 2.781 20 0 DFADHO CSC1(CN[C@H](C)c2cnc(C)nc2C)CC[NH+](C)CC1 ZINC000353623211 295583155 /nfs/dbraw/zinc/58/31/55/295583155.db2.gz AQUUBYHUAJSQON-GFCCVEGCSA-N 1 3 308.495 2.571 20 0 DFADHO CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C)N(CC)CC ZINC000439701294 297135637 /nfs/dbraw/zinc/13/56/37/297135637.db2.gz JKOQOQRBADGZOZ-DLBZAZTESA-N 1 3 311.514 2.734 20 0 DFADHO CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C)N(CC)CC ZINC000439701294 297135639 /nfs/dbraw/zinc/13/56/39/297135639.db2.gz JKOQOQRBADGZOZ-DLBZAZTESA-N 1 3 311.514 2.734 20 0 DFADHO COC(=O)CC1(CN2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000440778184 297164865 /nfs/dbraw/zinc/16/48/65/297164865.db2.gz ANAFZSVOIVODJD-UHFFFAOYSA-N 1 3 322.493 2.918 20 0 DFADHO CCc1ccc(CCN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000441262300 297177809 /nfs/dbraw/zinc/17/78/09/297177809.db2.gz VPVRWUWAHFEAEV-SLFFLAALSA-N 1 3 316.489 2.975 20 0 DFADHO CN1CCN(CC[NH2+]C/C=C/c2ccc(F)cc2F)CC1(C)C ZINC000441333378 297179879 /nfs/dbraw/zinc/17/98/79/297179879.db2.gz LUQAGINOVFFMKZ-SNAWJCMRSA-N 1 3 323.431 2.594 20 0 DFADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000442788778 297206363 /nfs/dbraw/zinc/20/63/63/297206363.db2.gz IZMODPCAWJAIDH-NEPJUHHUSA-N 1 3 320.824 2.602 20 0 DFADHO [NH3+]CC[C@@H]1CCCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000442916837 297211045 /nfs/dbraw/zinc/21/10/45/297211045.db2.gz ARKAOYMTOXVMLM-LBPRGKRZSA-N 1 3 320.387 2.916 20 0 DFADHO CC(C)[C@@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443058439 297213843 /nfs/dbraw/zinc/21/38/43/297213843.db2.gz ADHLTNHNOOPUIS-QFBILLFUSA-N 1 3 317.477 2.561 20 0 DFADHO CSc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443057650 297213949 /nfs/dbraw/zinc/21/39/49/297213949.db2.gz HNWRXCXWDZDKHT-ZIAGYGMSSA-N 1 3 321.490 2.796 20 0 DFADHO C[C@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443063433 297214342 /nfs/dbraw/zinc/21/43/42/297214342.db2.gz WOWROYZZXFWDGU-UONOGXRCSA-N 1 3 323.868 2.578 20 0 DFADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443066085 297214886 /nfs/dbraw/zinc/21/48/86/297214886.db2.gz DIXKBSLIFNHMIG-KGLIPLIRSA-N 1 3 300.406 2.858 20 0 DFADHO COC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000446819711 297287281 /nfs/dbraw/zinc/28/72/81/297287281.db2.gz VDFBCZVRXLDULY-BQFCYCMXSA-N 1 3 312.498 2.671 20 0 DFADHO C[NH+](C)CCOCCN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000447597805 297310370 /nfs/dbraw/zinc/31/03/70/297310370.db2.gz HABKULYYYVLGGS-INIZCTEOSA-N 1 3 304.434 2.601 20 0 DFADHO Cn1ccc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000447603529 297310632 /nfs/dbraw/zinc/31/06/32/297310632.db2.gz YBGWVOTYQJIRKR-ACDBMABISA-N 1 3 324.472 2.748 20 0 DFADHO Cn1ccc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000447603529 297310633 /nfs/dbraw/zinc/31/06/33/297310633.db2.gz YBGWVOTYQJIRKR-ACDBMABISA-N 1 3 324.472 2.748 20 0 DFADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)N(CC)CC ZINC000448444907 297339956 /nfs/dbraw/zinc/33/99/56/297339956.db2.gz RJDDONNMLPKLTE-DLBZAZTESA-N 1 3 311.514 2.591 20 0 DFADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)N(CC)CC ZINC000448444907 297339958 /nfs/dbraw/zinc/33/99/58/297339958.db2.gz RJDDONNMLPKLTE-DLBZAZTESA-N 1 3 311.514 2.591 20 0 DFADHO CN(C)CCOC1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449024377 297392988 /nfs/dbraw/zinc/39/29/88/297392988.db2.gz AQVBCHLLQZOSBX-UHFFFAOYSA-N 1 3 302.418 2.975 20 0 DFADHO CCN1CCN(c2ccccc2C[NH2+]C2CC(C)(F)C2)CC1 ZINC000449370115 297455155 /nfs/dbraw/zinc/45/51/55/297455155.db2.gz IMPSOMDLHLIIDT-UHFFFAOYSA-N 1 3 305.441 2.809 20 0 DFADHO C[NH+](C)CCCC(C)(C)NCc1nccn1CC(F)(F)F ZINC000449528639 297486969 /nfs/dbraw/zinc/48/69/69/297486969.db2.gz QUHSDXKGSNRDEC-UHFFFAOYSA-N 1 3 306.376 2.655 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000449642867 297505045 /nfs/dbraw/zinc/50/50/45/297505045.db2.gz HFTJPJXKFOHFDX-CRAIPNDOSA-N 1 3 315.461 2.530 20 0 DFADHO C[C@H](C(=O)N1CCCc2cc(C[NH3+])ccc21)N1CCCCCC1 ZINC000378188308 298044739 /nfs/dbraw/zinc/04/47/39/298044739.db2.gz RKNCUTLBGHXNRA-OAHLLOKOSA-N 1 3 315.461 2.689 20 0 DFADHO COC1([C@H](C)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCOCC1 ZINC000453055103 298057641 /nfs/dbraw/zinc/05/76/41/298057641.db2.gz DCPQYKFYNSPWCH-ULQDDVLXSA-N 1 3 312.498 2.528 20 0 DFADHO COC1([C@H](C)[NH2+]CCCN2C[C@@H](C)C[C@H](C)C2)CCOCC1 ZINC000453055103 298057644 /nfs/dbraw/zinc/05/76/44/298057644.db2.gz DCPQYKFYNSPWCH-ULQDDVLXSA-N 1 3 312.498 2.528 20 0 DFADHO O[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21)C(F)F ZINC000453123046 298064796 /nfs/dbraw/zinc/06/47/96/298064796.db2.gz FPVOWEALZRWCFT-QBPKDAKJSA-N 1 3 324.415 2.645 20 0 DFADHO CN(C)CCOc1cc(C[NH2+][C@H](C2CC2)C2CCC2)ccn1 ZINC000453185568 298069740 /nfs/dbraw/zinc/06/97/40/298069740.db2.gz VNIBPHRUJVMXHC-SFHVURJKSA-N 1 3 303.450 2.690 20 0 DFADHO C[C@H](Cc1cnccn1)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000453198195 298071060 /nfs/dbraw/zinc/07/10/60/298071060.db2.gz OUTRZNVOWXXHAO-OAGGEKHMSA-N 1 3 302.466 2.650 20 0 DFADHO C[C@H](Cc1cnccn1)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453198195 298071061 /nfs/dbraw/zinc/07/10/61/298071061.db2.gz OUTRZNVOWXXHAO-OAGGEKHMSA-N 1 3 302.466 2.650 20 0 DFADHO C[C@H](Cc1cnccn1)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000453198195 298071063 /nfs/dbraw/zinc/07/10/63/298071063.db2.gz OUTRZNVOWXXHAO-OAGGEKHMSA-N 1 3 302.466 2.650 20 0 DFADHO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000253545346 298075719 /nfs/dbraw/zinc/07/57/19/298075719.db2.gz OPCJRHCYFFSIPJ-XDNAFOTISA-N 1 3 321.509 2.582 20 0 DFADHO CN(C)Cc1cccc(NC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000454309691 298152784 /nfs/dbraw/zinc/15/27/84/298152784.db2.gz FJHRMYDBVMWOFD-UHFFFAOYSA-N 1 3 320.481 2.990 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc2c(c1)OCCO2 ZINC000261742347 298876479 /nfs/dbraw/zinc/87/64/79/298876479.db2.gz OBGBAERQWDZTJN-WBVHZDCISA-N 1 3 318.461 2.901 20 0 DFADHO CC[NH2+][C@H](C)CN[C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496216449 300031461 /nfs/dbraw/zinc/03/14/61/300031461.db2.gz GKWRMZCRBCOLQC-HZPDHXFCSA-N 1 3 319.449 2.628 20 0 DFADHO COC(=O)N1CCC[C@H]([C@H](C)N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000496283794 300040765 /nfs/dbraw/zinc/04/07/65/300040765.db2.gz MLLJBHHACJZDFK-PYTWLRIVSA-N 1 3 317.433 2.588 20 0 DFADHO C[C@@H](N[C@@H](C)CC[NH+](C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496347366 300050033 /nfs/dbraw/zinc/05/00/33/300050033.db2.gz WQBDYFZCKTZTKX-ZNMIVQPWSA-N 1 3 313.486 2.704 20 0 DFADHO COC(=O)N1CCC([C@H](C)N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000496745282 300107698 /nfs/dbraw/zinc/10/76/98/300107698.db2.gz KXJQNIFJBXKZMN-JCURWCKSSA-N 1 3 317.433 2.588 20 0 DFADHO CC[C@H](NC[C@@H](C)C[NH2+]C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497144234 300168624 /nfs/dbraw/zinc/16/86/24/300168624.db2.gz IYYLDQQULIHXOU-SOUVJXGZSA-N 1 3 313.486 2.610 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H]3C[N@H+](C)C[C@H]3C)c2)CC1 ZINC000503269228 300219683 /nfs/dbraw/zinc/21/96/83/300219683.db2.gz YJPXWFOTYNNHKC-VQIMIIECSA-N 1 3 316.493 2.579 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H]3C[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000503269228 300219688 /nfs/dbraw/zinc/21/96/88/300219688.db2.gz YJPXWFOTYNNHKC-VQIMIIECSA-N 1 3 316.493 2.579 20 0 DFADHO C[C@@H](C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)CN1CCCCC1 ZINC000516275112 300337918 /nfs/dbraw/zinc/33/79/18/300337918.db2.gz GYPGXYDXNRDSME-YJBOKZPZSA-N 1 3 324.896 2.955 20 0 DFADHO OC1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000517553754 300399355 /nfs/dbraw/zinc/39/93/55/300399355.db2.gz RLCSSWNNMVAFNW-VQIMIIECSA-N 1 3 316.445 2.527 20 0 DFADHO CC1CCC([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)CC1 ZINC000519772844 300476425 /nfs/dbraw/zinc/47/64/25/300476425.db2.gz HRFYRWNQUGJCAO-UHFFFAOYSA-N 1 3 317.477 2.646 20 0 DFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530178394 301026296 /nfs/dbraw/zinc/02/62/96/301026296.db2.gz KZVMOWLRQXLXOS-CRAIPNDOSA-N 1 3 318.461 2.899 20 0 DFADHO C[C@@H](NCCc1cccc2c1OC(F)(F)O2)[C@@H]1CCC[NH2+]C1 ZINC000530215272 301029948 /nfs/dbraw/zinc/02/99/48/301029948.db2.gz GGRAPGGTKLLZLN-DGCLKSJQSA-N 1 3 312.360 2.528 20 0 DFADHO C[C@@H]([NH2+]CCc1cccc2c1OC(F)(F)O2)[C@@H]1CCCNC1 ZINC000530215272 301029950 /nfs/dbraw/zinc/02/99/50/301029950.db2.gz GGRAPGGTKLLZLN-DGCLKSJQSA-N 1 3 312.360 2.528 20 0 DFADHO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(OCCN(C)C)cc1 ZINC000530217035 301030260 /nfs/dbraw/zinc/03/02/60/301030260.db2.gz FKWAADONCAGAAL-YJBOKZPZSA-N 1 3 317.477 2.562 20 0 DFADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530222825 301031674 /nfs/dbraw/zinc/03/16/74/301031674.db2.gz HRNAHXNAUFOTFG-UYEMGMCASA-N 1 3 316.445 2.644 20 0 DFADHO Clc1cccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530238951 301033332 /nfs/dbraw/zinc/03/33/32/301033332.db2.gz QONAZQICKSNCON-QGZVFWFLSA-N 1 3 308.853 2.931 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000530272199 301037389 /nfs/dbraw/zinc/03/73/89/301037389.db2.gz GKAIWHVDZGJSTO-WMZOPIPTSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000530272199 301037390 /nfs/dbraw/zinc/03/73/90/301037390.db2.gz GKAIWHVDZGJSTO-WMZOPIPTSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000530272196 301037534 /nfs/dbraw/zinc/03/75/34/301037534.db2.gz GKAIWHVDZGJSTO-AEFFLSMTSA-N 1 3 321.509 2.774 20 0 DFADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000530272196 301037538 /nfs/dbraw/zinc/03/75/38/301037538.db2.gz GKAIWHVDZGJSTO-AEFFLSMTSA-N 1 3 321.509 2.774 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531728388 301106804 /nfs/dbraw/zinc/10/68/04/301106804.db2.gz FUBMZUFXJFGNQG-HZPDHXFCSA-N 1 3 317.477 2.898 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)NCC[N@H+]1CC[C@@H](C)C1 ZINC000531728388 301106806 /nfs/dbraw/zinc/10/68/06/301106806.db2.gz FUBMZUFXJFGNQG-HZPDHXFCSA-N 1 3 317.477 2.898 20 0 DFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000531946425 301120533 /nfs/dbraw/zinc/12/05/33/301120533.db2.gz PDZVHUITDYJBED-IAGOWNOFSA-N 1 3 319.493 2.680 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532530341 301159008 /nfs/dbraw/zinc/15/90/08/301159008.db2.gz ZUWBARDDLOBCBO-KGLIPLIRSA-N 1 3 323.868 2.989 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532530341 301159011 /nfs/dbraw/zinc/15/90/11/301159011.db2.gz ZUWBARDDLOBCBO-KGLIPLIRSA-N 1 3 323.868 2.989 20 0 DFADHO CCc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)s1 ZINC000536664472 301286855 /nfs/dbraw/zinc/28/68/55/301286855.db2.gz DLTACTDNTQXYPX-MAUKXSAKSA-N 1 3 321.534 2.768 20 0 DFADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCOCC1 ZINC000536857491 301291696 /nfs/dbraw/zinc/29/16/96/301291696.db2.gz LPNYYEYFIQENNN-NUJGCVRESA-N 1 3 312.498 2.671 20 0 DFADHO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000539072680 301337441 /nfs/dbraw/zinc/33/74/41/301337441.db2.gz ZWYHSCVEXNSNGO-AEFFLSMTSA-N 1 3 317.477 2.646 20 0 DFADHO CN1CCN(CCCC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000540263803 301360967 /nfs/dbraw/zinc/36/09/67/301360967.db2.gz ZEJXQYRUMICIFV-IBGZPJMESA-N 1 3 319.468 2.894 20 0 DFADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000549041314 301627794 /nfs/dbraw/zinc/62/77/94/301627794.db2.gz UBIIQZXPIINDDF-UHOSZYNNSA-N 1 3 302.462 2.948 20 0 DFADHO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc(OCCN(C)C)c1 ZINC000560908065 301918094 /nfs/dbraw/zinc/91/80/94/301918094.db2.gz IPBJGPSJTRKDBD-XIRDDKMYSA-N 1 3 306.450 2.581 20 0 DFADHO c1cc(CN2CCCCC2)cc(-c2noc([C@@H]3CC34C[NH2+]C4)n2)c1 ZINC000562741988 301997810 /nfs/dbraw/zinc/99/78/10/301997810.db2.gz YRGCUURPQJUIFQ-INIZCTEOSA-N 1 3 324.428 2.799 20 0 DFADHO CN(C)Cc1ccccc1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000562972427 302019800 /nfs/dbraw/zinc/01/98/00/302019800.db2.gz BDYCZNRUBBFVPP-UHFFFAOYSA-N 1 3 315.461 2.951 20 0 DFADHO CN(C)Cc1ccc(C(=O)N(CCC[NH3+])CC2CCCC2)cc1 ZINC000563107847 302037900 /nfs/dbraw/zinc/03/79/00/302037900.db2.gz PBGFZHUORZJYKQ-UHFFFAOYSA-N 1 3 317.477 2.729 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000563424713 302071260 /nfs/dbraw/zinc/07/12/60/302071260.db2.gz LMBAGNKOSCEUGM-ROUUACIJSA-N 1 3 315.461 2.672 20 0 DFADHO Cc1nn(-c2ccncc2)cc1C[NH2+][C@H](C)CN1CCCCC1 ZINC000563440833 302073134 /nfs/dbraw/zinc/07/31/34/302073134.db2.gz NNQPRKWDYSYSOY-OAHLLOKOSA-N 1 3 313.449 2.540 20 0 DFADHO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000563492002 302076739 /nfs/dbraw/zinc/07/67/39/302076739.db2.gz CJOWTQBCWDYXPB-NCOADZHNSA-N 1 3 309.498 2.581 20 0 DFADHO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000563492002 302076741 /nfs/dbraw/zinc/07/67/41/302076741.db2.gz CJOWTQBCWDYXPB-NCOADZHNSA-N 1 3 309.498 2.581 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000564649640 302147074 /nfs/dbraw/zinc/14/70/74/302147074.db2.gz HVGJEGHEAZWQIB-YQQAZPJKSA-N 1 3 303.450 2.819 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000564649640 302147075 /nfs/dbraw/zinc/14/70/75/302147075.db2.gz HVGJEGHEAZWQIB-YQQAZPJKSA-N 1 3 303.450 2.819 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000564826620 302161647 /nfs/dbraw/zinc/16/16/47/302161647.db2.gz YZWCOCCVLNMAQC-RZAIGCCYSA-N 1 3 303.450 2.705 20 0 DFADHO CC(C)C[N@@H+]1CC[C@@H](CNC[C@@H](O)CCc2ccccc2)C1 ZINC000564850277 302164370 /nfs/dbraw/zinc/16/43/70/302164370.db2.gz RUSAMNFJPDSPCM-OALUTQOASA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)C[N@H+]1CC[C@@H](CNC[C@@H](O)CCc2ccccc2)C1 ZINC000564850277 302164372 /nfs/dbraw/zinc/16/43/72/302164372.db2.gz RUSAMNFJPDSPCM-OALUTQOASA-N 1 3 304.478 2.548 20 0 DFADHO CC(C)CN1CC[C@@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000564850277 302164374 /nfs/dbraw/zinc/16/43/74/302164374.db2.gz RUSAMNFJPDSPCM-OALUTQOASA-N 1 3 304.478 2.548 20 0 DFADHO CCOC[C@H](O)CNCc1ccccc1C[NH+]1CCCCCC1 ZINC000564856498 302165130 /nfs/dbraw/zinc/16/51/30/302165130.db2.gz MCHZVINJTRKPLH-LJQANCHMSA-N 1 3 320.477 2.550 20 0 DFADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@@](C)(CCc2ccccc2)C1 ZINC000565155535 302198869 /nfs/dbraw/zinc/19/88/69/302198869.db2.gz GHJWTQMSFBNBAY-RTBURBONSA-N 1 3 304.478 2.644 20 0 DFADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@](C)(CCc2ccccc2)C1 ZINC000565155535 302198872 /nfs/dbraw/zinc/19/88/72/302198872.db2.gz GHJWTQMSFBNBAY-RTBURBONSA-N 1 3 304.478 2.644 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000565226735 302210309 /nfs/dbraw/zinc/21/03/09/302210309.db2.gz MQXYWBDYDMGAJO-GJZGRUSLSA-N 1 3 316.474 2.997 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCCc2nc(-c3ccncc3)cs2)C1 ZINC000565226735 302210312 /nfs/dbraw/zinc/21/03/12/302210312.db2.gz MQXYWBDYDMGAJO-GJZGRUSLSA-N 1 3 316.474 2.997 20 0 DFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000565661275 302235924 /nfs/dbraw/zinc/23/59/24/302235924.db2.gz RJJGBHSDOBRWNO-MAUKXSAKSA-N 1 3 321.509 2.617 20 0 DFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000565661275 302235928 /nfs/dbraw/zinc/23/59/28/302235928.db2.gz RJJGBHSDOBRWNO-MAUKXSAKSA-N 1 3 321.509 2.617 20 0 DFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CO[C@H](C)C2)CC1 ZINC000566219511 302268211 /nfs/dbraw/zinc/26/82/11/302268211.db2.gz DLKSJLPBRWWERZ-FCEWJHQRSA-N 1 3 302.462 2.849 20 0 DFADHO COC1CCN(C2(C[NH2+][C@H]3CCCCC[C@H]3N)CCCC2)CC1 ZINC000567579874 302369700 /nfs/dbraw/zinc/36/97/00/302369700.db2.gz OWKVXHUZBCTDCZ-MSOLQXFVSA-N 1 3 323.525 2.660 20 0 DFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](c1nnc[n-]1)C1CCCCC1 ZINC000567655277 302376669 /nfs/dbraw/zinc/37/66/69/302376669.db2.gz XAUQHUGVHAJBKW-WUPYBSFASA-N 1 3 303.454 2.532 20 0 DFADHO CC(C)C[C@H](C[NH3+])Cc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000568257542 302436206 /nfs/dbraw/zinc/43/62/06/302436206.db2.gz PYJNOZHXLVBSJC-HNNXBMFYSA-N 1 3 316.449 2.962 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000570699101 302588291 /nfs/dbraw/zinc/58/82/91/302588291.db2.gz PLFWFCCCSPLPSM-XMTFNYHQSA-N 1 3 321.509 2.820 20 0 DFADHO O[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)CC1CCCC1 ZINC000571315146 302613251 /nfs/dbraw/zinc/61/32/51/302613251.db2.gz CGORTYWLLZJVCU-IBGZPJMESA-N 1 3 317.477 2.829 20 0 DFADHO CC[C@@H]1Oc2cc([C@H](C)N[C@H]3CCC[C@@H]([NH3+])C3)ccc2NC1=O ZINC000572378790 302659305 /nfs/dbraw/zinc/65/93/05/302659305.db2.gz RIYJUSCRWXOIDZ-AEIGPULVSA-N 1 3 317.433 2.717 20 0 DFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000573669458 302716148 /nfs/dbraw/zinc/71/61/48/302716148.db2.gz ZZILWHHMCMRVLB-ZBFHGGJFSA-N 1 3 307.482 2.821 20 0 DFADHO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OCCN(C)C)c2)C1(C)C ZINC000181524645 316062355 /nfs/dbraw/zinc/06/23/55/316062355.db2.gz DBIAPMIQHYBKBO-MSOLQXFVSA-N 1 3 320.477 2.920 20 0 DFADHO C[C@H](NCCOCC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185692479 316190668 /nfs/dbraw/zinc/19/06/68/316190668.db2.gz IOPNFCXSSKFLMO-QWHCGFSZSA-N 1 3 308.388 2.808 20 0 DFADHO C[C@H](NCCOCC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185692479 316190669 /nfs/dbraw/zinc/19/06/69/316190669.db2.gz IOPNFCXSSKFLMO-QWHCGFSZSA-N 1 3 308.388 2.808 20 0 DFADHO C[C@H]([NH2+]CCOCC(F)(F)F)[C@@H]1CCCN(C2CCC2)C1 ZINC000185692479 316190672 /nfs/dbraw/zinc/19/06/72/316190672.db2.gz IOPNFCXSSKFLMO-QWHCGFSZSA-N 1 3 308.388 2.808 20 0 DFADHO COc1cc2c(cc1CN1CCC[C@@H](CC[NH3+])C1)O[C@H](C)C2 ZINC000317068389 316246862 /nfs/dbraw/zinc/24/68/62/316246862.db2.gz ZJTOESVPZZCNPJ-KGLIPLIRSA-N 1 3 304.434 2.579 20 0 DFADHO c1ccc(CN2CCC[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336704708 316299641 /nfs/dbraw/zinc/29/96/41/316299641.db2.gz GUKZXMNAOKSLIG-UFYCRDLUSA-N 1 3 313.489 2.867 20 0 DFADHO c1ccc(CN2CCC[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336704708 316299646 /nfs/dbraw/zinc/29/96/46/316299646.db2.gz GUKZXMNAOKSLIG-UFYCRDLUSA-N 1 3 313.489 2.867 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(Br)c(F)c1 ZINC000414811865 316665087 /nfs/dbraw/zinc/66/50/87/316665087.db2.gz WTYQGSZVXPHGIL-ZWNOBZJWSA-N 1 3 301.203 2.805 20 0 DFADHO CC(C)[C@@H](C[NH3+])C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000433129433 316878512 /nfs/dbraw/zinc/87/85/12/316878512.db2.gz NXYPMLCBJJZJPP-CRAIPNDOSA-N 1 3 317.477 2.559 20 0 DFADHO CC[NH+]1CCC(Nc2cccc3c2OCC[C@H]3N(C)C)CC1 ZINC000435037856 316921825 /nfs/dbraw/zinc/92/18/25/316921825.db2.gz YHGJOUZQJOZULO-QGZVFWFLSA-N 1 3 303.450 2.968 20 0 DFADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@H](C)O ZINC000449546532 317039903 /nfs/dbraw/zinc/03/99/03/317039903.db2.gz WAILYJHITWEOCJ-SXXASDTRSA-N 1 3 302.462 2.646 20 0 DFADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@H](C)O ZINC000449546533 317040273 /nfs/dbraw/zinc/04/02/73/317040273.db2.gz WAILYJHITWEOCJ-YCVVXREPSA-N 1 3 302.462 2.646 20 0 DFADHO COC[C@H]1CCCCN1CC(C)C[N@@H+]1CCCC[C@@H]1COC ZINC000452039433 317121269 /nfs/dbraw/zinc/12/12/69/317121269.db2.gz OHOUKGXWKPBOSQ-QZTJIDSGSA-N 1 3 312.498 2.624 20 0 DFADHO COC[C@H]1CCCCN1CC(C)C[N@H+]1CCCC[C@@H]1COC ZINC000452039433 317121272 /nfs/dbraw/zinc/12/12/72/317121272.db2.gz OHOUKGXWKPBOSQ-QZTJIDSGSA-N 1 3 312.498 2.624 20 0 DFADHO Cn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453104350 317162776 /nfs/dbraw/zinc/16/27/76/317162776.db2.gz ZHQIZBORIDMNON-AQNXPRMDSA-N 1 3 324.472 2.953 20 0 DFADHO C[C@H](Cc1cnccn1)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000453146608 317164570 /nfs/dbraw/zinc/16/45/70/317164570.db2.gz XIIUPJZVMXUQFX-IAGOWNOFSA-N 1 3 312.461 2.908 20 0 DFADHO C[C@H](Cc1cnccn1)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000453146608 317164575 /nfs/dbraw/zinc/16/45/75/317164575.db2.gz XIIUPJZVMXUQFX-IAGOWNOFSA-N 1 3 312.461 2.908 20 0 DFADHO COc1cc2c(c(CNCCCC[N@H+](C)C3CC3)c1)O[C@@H](C)C2 ZINC000453591569 317191880 /nfs/dbraw/zinc/19/18/80/317191880.db2.gz CSBSUJPKYZVFRC-AWEZNQCLSA-N 1 3 318.461 2.983 20 0 DFADHO COc1cc2c(c(CNCCCC[N@@H+](C)C3CC3)c1)O[C@@H](C)C2 ZINC000453591569 317191884 /nfs/dbraw/zinc/19/18/84/317191884.db2.gz CSBSUJPKYZVFRC-AWEZNQCLSA-N 1 3 318.461 2.983 20 0 DFADHO CC(C)N1CCC(O)(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488434512 317392590 /nfs/dbraw/zinc/39/25/90/317392590.db2.gz PIJXNBPFXXIQFC-CABCVRRESA-N 1 3 314.539 2.732 20 0 DFADHO CC(C)(CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C(=O)N1CCCC1 ZINC000530226517 317777191 /nfs/dbraw/zinc/77/71/91/317777191.db2.gz RODGDBDUDNLMSI-YESZJQIVSA-N 1 3 321.509 2.535 20 0 DFADHO ClC1(Cl)C[C@H]1CCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240450 317777916 /nfs/dbraw/zinc/77/79/16/317777916.db2.gz LCMDYBIVBHVVHS-ZIAGYGMSSA-N 1 3 321.292 2.661 20 0 DFADHO CC(C)OC[C@@H](O)CNCc1ccccc1C[NH+]1CCCCC1 ZINC000566109426 317937517 /nfs/dbraw/zinc/93/75/17/317937517.db2.gz QFUQEDILDZJRQI-IBGZPJMESA-N 1 3 320.477 2.548 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC3(O)CC3)C2)s1 ZINC000574576309 318025977 /nfs/dbraw/zinc/02/59/77/318025977.db2.gz KYFBYTWVLPHAPY-OAHLLOKOSA-N 1 3 308.491 2.725 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC3(O)CC3)C2)s1 ZINC000574576309 318025979 /nfs/dbraw/zinc/02/59/79/318025979.db2.gz KYFBYTWVLPHAPY-OAHLLOKOSA-N 1 3 308.491 2.725 20 0 DFADHO COc1ccc(C[C@H](C)CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000575059147 318060383 /nfs/dbraw/zinc/06/03/83/318060383.db2.gz HWVKVNPNJILHJN-IMJJTQAJSA-N 1 3 306.425 2.554 20 0 DFADHO CC(C)c1ccccc1OC[C@H](O)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000575117008 318064260 /nfs/dbraw/zinc/06/42/60/318064260.db2.gz WGOOBDFSCORDBZ-BRWVUGGUSA-N 1 3 320.477 2.622 20 0 DFADHO CC(C)c1ccccc1OC[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000575117008 318064261 /nfs/dbraw/zinc/06/42/61/318064261.db2.gz WGOOBDFSCORDBZ-BRWVUGGUSA-N 1 3 320.477 2.622 20 0 DFADHO CC(C)c1ccccc1OC[C@H](O)CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000575117010 318064453 /nfs/dbraw/zinc/06/44/53/318064453.db2.gz WGOOBDFSCORDBZ-IXDOHACOSA-N 1 3 320.477 2.622 20 0 DFADHO CC(C)c1ccccc1OC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000575117010 318064456 /nfs/dbraw/zinc/06/44/56/318064456.db2.gz WGOOBDFSCORDBZ-IXDOHACOSA-N 1 3 320.477 2.622 20 0 DFADHO CC(C)CN(CCN(C)C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000576084711 318102309 /nfs/dbraw/zinc/10/23/09/318102309.db2.gz UQOMGEOKMXYJJT-UHFFFAOYSA-N 1 3 311.514 2.687 20 0 DFADHO CC(C)CN(CCN(C)C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000576084711 318102310 /nfs/dbraw/zinc/10/23/10/318102310.db2.gz UQOMGEOKMXYJJT-UHFFFAOYSA-N 1 3 311.514 2.687 20 0 DFADHO C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)[C@@H]1CCCNC1 ZINC000576695374 318143382 /nfs/dbraw/zinc/14/33/82/318143382.db2.gz MAHSDHWIXDFYRP-ZIAGYGMSSA-N 1 3 303.425 2.838 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCCNC1 ZINC000576726020 318146389 /nfs/dbraw/zinc/14/63/89/318146389.db2.gz ZQAOBCHFFPNTOU-HOCLYGCPSA-N 1 3 303.450 2.698 20 0 DFADHO Cc1cccc(OC[C@@H](O)CN[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000577055191 318167953 /nfs/dbraw/zinc/16/79/53/318167953.db2.gz LMGUBXRIMZXAEN-WMZOPIPTSA-N 1 3 322.493 2.691 20 0 DFADHO C[C@H]([NH2+]CCc1cccc(Br)c1)[C@@H]1CCCNC1 ZINC000577161756 318174732 /nfs/dbraw/zinc/17/47/32/318174732.db2.gz QAAARFVOGVOQIQ-GXTWGEPZSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@H](NCCc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000577161756 318174735 /nfs/dbraw/zinc/17/47/35/318174735.db2.gz QAAARFVOGVOQIQ-GXTWGEPZSA-N 1 3 311.267 2.969 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000577283495 318183141 /nfs/dbraw/zinc/18/31/41/318183141.db2.gz ZJXCVZGBYDEPMR-NVXWUHKLSA-N 1 3 323.525 2.863 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000577283495 318183144 /nfs/dbraw/zinc/18/31/44/318183144.db2.gz ZJXCVZGBYDEPMR-NVXWUHKLSA-N 1 3 323.525 2.863 20 0 DFADHO C[C@@H](NC[C@H](O)Cc1cccc(Cl)c1)C(C)(C)C[NH+](C)C ZINC000577366028 318187980 /nfs/dbraw/zinc/18/79/80/318187980.db2.gz MCPCBNUEAUIXJW-CZUORRHYSA-N 1 3 312.885 2.809 20 0 DFADHO C[C@H](NC[C@@H](O)Cc1cccc(Cl)c1)C(C)(C)C[NH+](C)C ZINC000577366022 318188175 /nfs/dbraw/zinc/18/81/75/318188175.db2.gz MCPCBNUEAUIXJW-BBRMVZONSA-N 1 3 312.885 2.809 20 0 DFADHO CC[C@@H]1CN(C[C@H](O)C[N@H+](C)CC)CC[C@H]1c1ccccc1 ZINC000577454579 318193137 /nfs/dbraw/zinc/19/31/37/318193137.db2.gz NRJKOJKMFBTEHW-BHIYHBOVSA-N 1 3 304.478 2.815 20 0 DFADHO CC[C@@H]1CN(C[C@H](O)C[N@@H+](C)CC)CC[C@H]1c1ccccc1 ZINC000577454579 318193138 /nfs/dbraw/zinc/19/31/38/318193138.db2.gz NRJKOJKMFBTEHW-BHIYHBOVSA-N 1 3 304.478 2.815 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(COC3CCOCC3)cc2)C1 ZINC000577527787 318199685 /nfs/dbraw/zinc/19/96/85/318199685.db2.gz BYYJVPKLLIQUKP-ROUUACIJSA-N 1 3 318.461 2.742 20 0 DFADHO c1cc(N2CCC(C[NH2+]Cc3cnc(C4CC4)nc3)CC2)ccn1 ZINC000577833708 318219960 /nfs/dbraw/zinc/21/99/60/318219960.db2.gz SVGBLUBZCVSAOW-UHFFFAOYSA-N 1 3 323.444 2.755 20 0 DFADHO C[C@@H]1C[C@@H](NC[C@@H](O)Cc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000578998268 318300785 /nfs/dbraw/zinc/30/07/85/318300785.db2.gz QHENVBZZMZUVOG-XPGWFJOJSA-N 1 3 312.457 2.816 20 0 DFADHO C[C@@H]1C[C@@H](NC[C@@H](O)Cc2ccc3ccccc3c2)CC[N@H+]1C ZINC000578998268 318300786 /nfs/dbraw/zinc/30/07/86/318300786.db2.gz QHENVBZZMZUVOG-XPGWFJOJSA-N 1 3 312.457 2.816 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000579258217 318318622 /nfs/dbraw/zinc/31/86/22/318318622.db2.gz GCLFOHVBAGTAAD-SCTDSRPQSA-N 1 3 319.493 2.936 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCCN2CCc3c(Cl)cccc3C2)C1 ZINC000579495163 318335407 /nfs/dbraw/zinc/33/54/07/318335407.db2.gz PHBPLOYWTPUQGR-GJZGRUSLSA-N 1 3 307.869 2.558 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCN2CCc3c(Cl)cccc3C2)C1 ZINC000579495165 318335611 /nfs/dbraw/zinc/33/56/11/318335611.db2.gz PHBPLOYWTPUQGR-LSDHHAIUSA-N 1 3 307.869 2.558 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc(NC(=O)C2CCC2)c1 ZINC000579580776 318340207 /nfs/dbraw/zinc/34/02/07/318340207.db2.gz HUYXQHKKEBCZCO-WBVHZDCISA-N 1 3 301.434 2.642 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000579733949 318351792 /nfs/dbraw/zinc/35/17/92/318351792.db2.gz PYWFGUXDHBISFV-LSDHHAIUSA-N 1 3 318.396 2.668 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000579733949 318351793 /nfs/dbraw/zinc/35/17/93/318351793.db2.gz PYWFGUXDHBISFV-LSDHHAIUSA-N 1 3 318.396 2.668 20 0 DFADHO C[C@@H]1CC[C@H](NCC2([NH3+])CCCCCC2)[C@H](n2cncn2)C1 ZINC000579944619 318364834 /nfs/dbraw/zinc/36/48/34/318364834.db2.gz HXWPKXFEYQQXTQ-OWCLPIDISA-N 1 3 305.470 2.649 20 0 DFADHO COc1cccc2c1CCC[C@@H]2NCCC[NH+]1CCC(O)CC1 ZINC000194862764 323273468 /nfs/dbraw/zinc/27/34/68/323273468.db2.gz LMJAJUWRLLZPNX-SFHVURJKSA-N 1 3 318.461 2.509 20 0 DFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000387678990 323327179 /nfs/dbraw/zinc/32/71/79/323327179.db2.gz RTHCJJZURKMOPG-RBSFLKMASA-N 1 3 313.486 2.704 20 0 DFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000387678990 323327184 /nfs/dbraw/zinc/32/71/84/323327184.db2.gz RTHCJJZURKMOPG-RBSFLKMASA-N 1 3 313.486 2.704 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCN(C)C1 ZINC000398200968 323356586 /nfs/dbraw/zinc/35/65/86/323356586.db2.gz PMVXEASPAIHDRF-YZGWKJHDSA-N 1 3 315.505 2.828 20 0 DFADHO NC[C@@H]1c2ccccc2CCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000581312603 323505455 /nfs/dbraw/zinc/50/54/55/323505455.db2.gz YGNYTBQNJQNEEF-RBUKOAKNSA-N 1 3 323.440 2.551 20 0 DFADHO COc1cc2c(cc1CNCCC[C@H]1CCC[NH2+]1)O[C@H](C)C2 ZINC000582713715 323723253 /nfs/dbraw/zinc/72/32/53/323723253.db2.gz NYEXPORBVRTDBJ-CJNGLKHVSA-N 1 3 304.434 2.640 20 0 DFADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378689 337232968 /nfs/dbraw/zinc/23/29/68/337232968.db2.gz UBKDAELLZZCJSH-PBHICJAKSA-N 1 3 316.474 2.850 20 0 DFADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378689 337232969 /nfs/dbraw/zinc/23/29/69/337232969.db2.gz UBKDAELLZZCJSH-PBHICJAKSA-N 1 3 316.474 2.850 20 0 DFADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378689 337232970 /nfs/dbraw/zinc/23/29/70/337232970.db2.gz UBKDAELLZZCJSH-PBHICJAKSA-N 1 3 316.474 2.850 20 0 DFADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378689 337232971 /nfs/dbraw/zinc/23/29/71/337232971.db2.gz UBKDAELLZZCJSH-PBHICJAKSA-N 1 3 316.474 2.850 20 0 DFADHO Cn1ncc2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc21 ZINC000584404629 337319876 /nfs/dbraw/zinc/31/98/76/337319876.db2.gz CUJFYMQPOZTUOC-OKZBNKHCSA-N 1 3 312.461 2.974 20 0 DFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](N)C(C)(C)C)c1 ZINC000164165980 520755915 /nfs/dbraw/zinc/75/59/15/520755915.db2.gz HLMLFPFPUAIVIL-MRXNPFEDSA-N 1 3 305.466 2.518 20 0 DFADHO c1nc2ccccc2n1CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000321472022 534536163 /nfs/dbraw/zinc/53/61/63/534536163.db2.gz WDHHLMLYEDJDKN-BRWVUGGUSA-N 1 3 312.461 2.937 20 0 DFADHO CCCC[C@H](N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000154563579 521205682 /nfs/dbraw/zinc/20/56/82/521205682.db2.gz YXVFSHFYSJLPQO-YJBOKZPZSA-N 1 3 317.477 2.846 20 0 DFADHO CCC[C@](C)(N)C(=O)NC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000365006411 521276465 /nfs/dbraw/zinc/27/64/65/521276465.db2.gz FJKZHVISKSMAPC-WDYCEAGBSA-N 1 3 317.477 2.531 20 0 DFADHO CCC[C@](C)(N)C(=O)NC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000365006411 521276471 /nfs/dbraw/zinc/27/64/71/521276471.db2.gz FJKZHVISKSMAPC-WDYCEAGBSA-N 1 3 317.477 2.531 20 0 DFADHO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](CCC2OCCO2)CC1 ZINC000363839750 523352037 /nfs/dbraw/zinc/35/20/37/523352037.db2.gz ZNEMZVXEAIEJSM-GOSISDBHSA-N 1 3 318.461 2.736 20 0 DFADHO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](CCC2OCCO2)CC1 ZINC000363839750 523352045 /nfs/dbraw/zinc/35/20/45/523352045.db2.gz ZNEMZVXEAIEJSM-GOSISDBHSA-N 1 3 318.461 2.736 20 0 DFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(CCC2OCCO2)CC1 ZINC000363839750 523352049 /nfs/dbraw/zinc/35/20/49/523352049.db2.gz ZNEMZVXEAIEJSM-GOSISDBHSA-N 1 3 318.461 2.736 20 0 DFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(CCC2OCCO2)CC1 ZINC000363839750 523352056 /nfs/dbraw/zinc/35/20/56/523352056.db2.gz ZNEMZVXEAIEJSM-GOSISDBHSA-N 1 3 318.461 2.736 20 0 DFADHO Cc1ccc(CC2(O)CC[NH+](CC[C@@H]3CCCN3C)CC2)cc1 ZINC000366368586 524280224 /nfs/dbraw/zinc/28/02/24/524280224.db2.gz GBOFSVLIPGLVRZ-IBGZPJMESA-N 1 3 316.489 2.849 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000294986236 527802860 /nfs/dbraw/zinc/80/28/60/527802860.db2.gz HAUTXYJZAQAFQL-WCQYABFASA-N 1 3 301.356 2.920 20 0 DFADHO CC1=CC[C@@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)CC1 ZINC000294445921 528122121 /nfs/dbraw/zinc/12/21/21/528122121.db2.gz YASBMFIODDIHFX-GOSISDBHSA-N 1 3 315.461 2.566 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000294719299 528554338 /nfs/dbraw/zinc/55/43/38/528554338.db2.gz BRVZHXWITNZJPK-AEFFLSMTSA-N 1 3 317.477 2.636 20 0 DFADHO CC[N@H+](Cc1ccc(C(=O)NCCN(C)C2CC2)cc1)C(C)C ZINC000299670304 528776059 /nfs/dbraw/zinc/77/60/59/528776059.db2.gz OZJFVJCPDYNLCI-UHFFFAOYSA-N 1 3 317.477 2.741 20 0 DFADHO CC[N@@H+](Cc1ccc(C(=O)NCCN(C)C2CC2)cc1)C(C)C ZINC000299670304 528776064 /nfs/dbraw/zinc/77/60/64/528776064.db2.gz OZJFVJCPDYNLCI-UHFFFAOYSA-N 1 3 317.477 2.741 20 0 DFADHO CC(C)[NH+]1CCC(N(C)C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000293076776 528991393 /nfs/dbraw/zinc/99/13/93/528991393.db2.gz MFJKUXUVOFOHIU-SFHVURJKSA-N 1 3 308.441 2.534 20 0 DFADHO CC[NH2+]CC1CCN(Cc2cc(OC)c(OC)cc2C)CC1 ZINC000262062552 535459907 /nfs/dbraw/zinc/45/99/07/535459907.db2.gz FDUTXDNXXHWUQY-UHFFFAOYSA-N 1 3 306.450 2.834 20 0 DFADHO CCC[C@@](C)(N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000262698416 535523819 /nfs/dbraw/zinc/52/38/19/535523819.db2.gz FWHGPAMVHZLZLM-FUHWJXTLSA-N 1 3 309.498 2.619 20 0 DFADHO CCN(CC)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000261898725 535670410 /nfs/dbraw/zinc/67/04/10/535670410.db2.gz OQHVQAKPBXOURO-ZWKOTPCHSA-N 1 3 317.477 2.718 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1ccccc1 ZINC000261914406 535677213 /nfs/dbraw/zinc/67/72/13/535677213.db2.gz QPCTYBXYNWKMQD-KBAYOESNSA-N 1 3 317.477 2.574 20 0 DFADHO CCc1cccc(F)c1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000354409240 535890819 /nfs/dbraw/zinc/89/08/19/535890819.db2.gz DEIDFUSPGIDUBL-UHFFFAOYSA-N 1 3 308.441 2.713 20 0 DFADHO CC[C@]1(C)CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000354856994 535908571 /nfs/dbraw/zinc/90/85/71/535908571.db2.gz MWXCHMZIPZRCOL-IEBWSBKVSA-N 1 3 317.477 2.528 20 0 DFADHO CC[C@@]1(C)CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000354856995 536048935 /nfs/dbraw/zinc/04/89/35/536048935.db2.gz MWXCHMZIPZRCOL-MJGOQNOKSA-N 1 3 317.477 2.528 20 0 DFADHO COc1ccccc1OC[C@H](C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358262965 537098038 /nfs/dbraw/zinc/09/80/38/537098038.db2.gz FYQASLQRXSLKNB-IKGGRYGDSA-N 1 3 318.461 2.927 20 0 DFADHO COc1ccccc1OC[C@H](C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358262965 537098045 /nfs/dbraw/zinc/09/80/45/537098045.db2.gz FYQASLQRXSLKNB-IKGGRYGDSA-N 1 3 318.461 2.927 20 0 DFADHO Cc1cccc2c1[nH+]cc(C)c2N1CCN(C(C)(C)CO)CC1 ZINC000680894058 545558657 /nfs/dbraw/zinc/55/86/57/545558657.db2.gz JLLDFTKICPEWAO-UHFFFAOYSA-N 1 3 313.445 2.745 20 0 DFADHO C[NH+]1CCC(N2CC[C@@H](NCc3ccsc3Cl)C2)CC1 ZINC000682943417 545945136 /nfs/dbraw/zinc/94/51/36/545945136.db2.gz VXPQMKGBPSIHSI-CYBMUJFWSA-N 1 3 313.898 2.660 20 0 DFADHO C[C@H]1CCSCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000683001214 545957568 /nfs/dbraw/zinc/95/75/68/545957568.db2.gz PZLKXIWTZQSNBX-HNNXBMFYSA-N 1 3 308.491 2.954 20 0 DFADHO C[C@H]1CCSCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000683001214 545957573 /nfs/dbraw/zinc/95/75/73/545957573.db2.gz PZLKXIWTZQSNBX-HNNXBMFYSA-N 1 3 308.491 2.954 20 0 DFADHO CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]CCCN(CC)CC ZINC000683142344 545979619 /nfs/dbraw/zinc/97/96/19/545979619.db2.gz PJTGWZDBWXCMGA-IRXDYDNUSA-N 1 3 311.514 2.591 20 0 DFADHO CN1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000683690290 546075615 /nfs/dbraw/zinc/07/56/15/546075615.db2.gz GHSWXHAGRUUNRO-WTGUMLROSA-N 1 3 313.489 2.866 20 0 DFADHO CN1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683690290 546075618 /nfs/dbraw/zinc/07/56/18/546075618.db2.gz GHSWXHAGRUUNRO-WTGUMLROSA-N 1 3 313.489 2.866 20 0 DFADHO CN1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683690290 546075620 /nfs/dbraw/zinc/07/56/20/546075620.db2.gz GHSWXHAGRUUNRO-WTGUMLROSA-N 1 3 313.489 2.866 20 0 DFADHO C[NH+](C)CCOC1CCN(Cc2ccc3cnccc3c2)CC1 ZINC000683828642 546103239 /nfs/dbraw/zinc/10/32/39/546103239.db2.gz MMQDJNZTALXBLS-UHFFFAOYSA-N 1 3 313.445 2.777 20 0 DFADHO CC(C)(CC[NH+]1CCCCCC1)NC[C@@H]1CNc2ccnn2C1 ZINC000684199281 546171115 /nfs/dbraw/zinc/17/11/15/546171115.db2.gz ZXHGDHHPDOVBDT-INIZCTEOSA-N 1 3 319.497 2.559 20 0 DFADHO CC(C)(CCN1CCCCCC1)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000684199281 546171117 /nfs/dbraw/zinc/17/11/17/546171117.db2.gz ZXHGDHHPDOVBDT-INIZCTEOSA-N 1 3 319.497 2.559 20 0 DFADHO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCCN(C)C)C1 ZINC000684373430 546203084 /nfs/dbraw/zinc/20/30/84/546203084.db2.gz ZNCKTMSEZOIAAP-DLBZAZTESA-N 1 3 306.450 2.674 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3cccnc32)C[C@H](C)O1 ZINC000684955322 546307906 /nfs/dbraw/zinc/30/79/06/546307906.db2.gz LCEOIKFROMBFFK-JZXOWHBKSA-N 1 3 317.477 2.938 20 0 DFADHO CC[N@H+](CCCN1CCCC1)Cc1ccccc1-n1cncn1 ZINC000685459757 546353244 /nfs/dbraw/zinc/35/32/44/546353244.db2.gz XVSUVFYJBZBYAO-UHFFFAOYSA-N 1 3 313.449 2.575 20 0 DFADHO CC[N@@H+](CCCN1CCCC1)Cc1ccccc1-n1cncn1 ZINC000685459757 546353247 /nfs/dbraw/zinc/35/32/47/546353247.db2.gz XVSUVFYJBZBYAO-UHFFFAOYSA-N 1 3 313.449 2.575 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+][C@H](C2CC2)C(C)(C)CO)cc1 ZINC000685850934 546399951 /nfs/dbraw/zinc/39/99/51/546399951.db2.gz OSXICIKCDRWLJY-GOSISDBHSA-N 1 3 320.477 2.514 20 0 DFADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc([S@@](C)=O)cc1 ZINC000272876902 210266788 /nfs/dbraw/zinc/26/67/88/210266788.db2.gz BRXWGNXDWLUJKA-WDUKFBBWSA-N 1 3 308.491 2.949 20 0 DFADHO COc1cccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000278463784 214170070 /nfs/dbraw/zinc/17/00/70/214170070.db2.gz JFTIWMCTUJHPCM-JKSUJKDBSA-N 1 3 306.450 2.847 20 0 DFADHO COc1cccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000278463784 214170073 /nfs/dbraw/zinc/17/00/73/214170073.db2.gz JFTIWMCTUJHPCM-JKSUJKDBSA-N 1 3 306.450 2.847 20 0 DFADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000318516671 231171992 /nfs/dbraw/zinc/17/19/92/231171992.db2.gz ZQZYLVAIFKYZPJ-LBPRGKRZSA-N 1 3 320.355 2.814 20 0 DFADHO Brc1ccsc1CNCC[C@@H]1CCC[NH2+]C1 ZINC000087575928 185228689 /nfs/dbraw/zinc/22/86/89/185228689.db2.gz MDEMSLLTHBCSNG-JTQLQIEISA-N 1 3 303.269 2.990 20 0 DFADHO CCc1nn(C)c(CC)c1CN1CCC(CC[NH+](C)C)CC1 ZINC000092381397 185314758 /nfs/dbraw/zinc/31/47/58/185314758.db2.gz GOIBBQGEIHSXEP-UHFFFAOYSA-N 1 3 306.498 2.709 20 0 DFADHO C[C@H]1C[NH+](CC2CCN(Cc3cccc(O)c3)CC2)C[C@H](C)O1 ZINC000092587443 185327382 /nfs/dbraw/zinc/32/73/82/185327382.db2.gz XJWMCJMBRRPDJL-HOTGVXAUSA-N 1 3 318.461 2.713 20 0 DFADHO C[C@H]([NH2+]CCc1nccs1)c1ccc(OCCN(C)C)cc1 ZINC000127834613 282959026 /nfs/dbraw/zinc/95/90/26/282959026.db2.gz MXQMRVWGNIZYKY-AWEZNQCLSA-N 1 3 319.474 2.977 20 0 DFADHO C[NH+]1CCC(O)(CNCc2cnc(C3CCCCC3)s2)CC1 ZINC000084046312 398393366 /nfs/dbraw/zinc/39/33/66/398393366.db2.gz MEMODLGDPNETAH-UHFFFAOYSA-N 1 3 323.506 2.737 20 0 DFADHO CN(CC1CCN(C)CC1)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000584783007 398412287 /nfs/dbraw/zinc/41/22/87/398412287.db2.gz IJIWTLYXVGXODV-GOSISDBHSA-N 1 3 323.525 2.865 20 0 DFADHO Cc1cnn(CCN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000592418270 398423571 /nfs/dbraw/zinc/42/35/71/398423571.db2.gz YVLCAZSBDDFPES-UHFFFAOYSA-N 1 3 304.482 2.780 20 0 DFADHO COC(=O)c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000592492160 398433724 /nfs/dbraw/zinc/43/37/24/398433724.db2.gz SOOLSKXXNNXAAK-UONOGXRCSA-N 1 3 322.474 2.746 20 0 DFADHO COC(=O)c1ccccc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592491671 398433910 /nfs/dbraw/zinc/43/39/10/398433910.db2.gz GLJQQDWOIMKBIT-HOTGVXAUSA-N 1 3 316.445 2.685 20 0 DFADHO C[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)[NH+]1CCCCCC1 ZINC000025408051 398441160 /nfs/dbraw/zinc/44/11/60/398441160.db2.gz ZISWFZPRJGAMCP-AEFFLSMTSA-N 1 3 317.477 2.670 20 0 DFADHO CCc1cnc(CC[NH2+]C2CCN(c3ccncc3)CC2)s1 ZINC000459435907 299106270 /nfs/dbraw/zinc/10/62/70/299106270.db2.gz XQXIGZQVCLDOKC-UHFFFAOYSA-N 1 3 316.474 2.902 20 0 DFADHO C[N@@H+]1CCC[C@]2(CCN(C[C@@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043508 530065441 /nfs/dbraw/zinc/06/54/41/530065441.db2.gz SOTMEHQCTUPZNR-ROUUACIJSA-N 1 3 322.880 2.661 20 0 DFADHO C[N@H+]1CCC[C@]2(CCN(C[C@@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043508 530065442 /nfs/dbraw/zinc/06/54/42/530065442.db2.gz SOTMEHQCTUPZNR-ROUUACIJSA-N 1 3 322.880 2.661 20 0 DFADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3cccc(F)c3)C2)C1 ZINC000293036710 530059384 /nfs/dbraw/zinc/05/93/84/530059384.db2.gz RYFSKVWGZHELSX-GOSISDBHSA-N 1 3 319.424 2.572 20 0 DFADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3cccc(F)c3)C2)C1 ZINC000293036710 530059385 /nfs/dbraw/zinc/05/93/85/530059385.db2.gz RYFSKVWGZHELSX-GOSISDBHSA-N 1 3 319.424 2.572 20 0 DFADHO CSCC1(CCNCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000596651353 398472193 /nfs/dbraw/zinc/47/21/93/398472193.db2.gz OPPQATRVYYODAZ-UHFFFAOYSA-N 1 3 309.479 2.765 20 0 DFADHO C[N@H+](CC1CCN(c2ccncc2)CC1)C[C@@H]1CCCCO1 ZINC000367884999 282393556 /nfs/dbraw/zinc/39/35/56/282393556.db2.gz JDQQNUHPXPORTR-SFHVURJKSA-N 1 3 303.450 2.799 20 0 DFADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)C[C@@H]1CCCCO1 ZINC000367884999 282393558 /nfs/dbraw/zinc/39/35/58/282393558.db2.gz JDQQNUHPXPORTR-SFHVURJKSA-N 1 3 303.450 2.799 20 0 DFADHO C[C@H]([NH2+]C[C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1cnn(C)c1 ZINC000090708595 398491871 /nfs/dbraw/zinc/49/18/71/398491871.db2.gz RTISBOQCHCKHSX-XYJFISCASA-N 1 3 312.461 2.981 20 0 DFADHO CCN1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272698703 210104503 /nfs/dbraw/zinc/10/45/03/210104503.db2.gz XYAIWDVVNNOZCC-MISYRCLQSA-N 1 3 315.505 2.971 20 0 DFADHO COc1ccc(C[NH2+]C[C@H]2CCCN(C)C2)cc1OC(F)F ZINC000068722684 398522060 /nfs/dbraw/zinc/52/20/60/398522060.db2.gz VZAXZKFHDNDWCQ-CYBMUJFWSA-N 1 3 314.376 2.728 20 0 DFADHO C[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414085504 295765630 /nfs/dbraw/zinc/76/56/30/295765630.db2.gz YPNCIUJHMDYESF-MRXNPFEDSA-N 1 3 312.461 2.983 20 0 DFADHO COc1cc2c(cc1CN1CCC(CC[NH3+])CC1)O[C@@H](C)C2 ZINC000316967923 398533643 /nfs/dbraw/zinc/53/36/43/398533643.db2.gz HLFZWFOZOHNMEV-ZDUSSCGKSA-N 1 3 304.434 2.579 20 0 DFADHO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000414153298 295772721 /nfs/dbraw/zinc/77/27/21/295772721.db2.gz ZCMNXHXZULOESQ-QILLFSRXSA-N 1 3 306.450 2.845 20 0 DFADHO COC[C@@H]1CCCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681084716 545593917 /nfs/dbraw/zinc/59/39/17/545593917.db2.gz ZYIMINQXGJOIKV-GOSISDBHSA-N 1 3 320.477 2.876 20 0 DFADHO COC[C@@H]1CCCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681084716 545593920 /nfs/dbraw/zinc/59/39/20/545593920.db2.gz ZYIMINQXGJOIKV-GOSISDBHSA-N 1 3 320.477 2.876 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cccc(OCCN(C)C)c1 ZINC000414330852 295788488 /nfs/dbraw/zinc/78/84/88/295788488.db2.gz FGHZHPGCLBKDOG-LZLYRXPVSA-N 1 3 320.477 2.829 20 0 DFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CCC(C)(C)O ZINC000092821183 398602398 /nfs/dbraw/zinc/60/23/98/398602398.db2.gz QUAURADDXARCND-UHFFFAOYSA-N 1 3 305.466 2.781 20 0 DFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CCC(C)(C)O ZINC000092821183 398602400 /nfs/dbraw/zinc/60/24/00/398602400.db2.gz QUAURADDXARCND-UHFFFAOYSA-N 1 3 305.466 2.781 20 0 DFADHO CC[C@H]1CCCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000150743612 186062651 /nfs/dbraw/zinc/06/26/51/186062651.db2.gz JIHQOEACRYYCBT-KRWDZBQOSA-N 1 3 309.498 2.630 20 0 DFADHO CN1CCC(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)(N2CCCCC2)CC1 ZINC000374516922 282695420 /nfs/dbraw/zinc/69/54/20/282695420.db2.gz AHVREOQPZSIRBK-RCCFBDPRSA-N 1 3 305.510 2.715 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155700945 186104535 /nfs/dbraw/zinc/10/45/35/186104535.db2.gz WIUQGLOXSRNGRW-MVJTYMMSSA-N 1 3 317.477 2.529 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155700945 186104537 /nfs/dbraw/zinc/10/45/37/186104537.db2.gz WIUQGLOXSRNGRW-MVJTYMMSSA-N 1 3 317.477 2.529 20 0 DFADHO CCN(C)C[C@@H]1CC[N@H+](Cc2cccc(-c3cnn(C)c3)c2)C1 ZINC000093770555 398645191 /nfs/dbraw/zinc/64/51/91/398645191.db2.gz ZZQRHOAZZLLDSY-KRWDZBQOSA-N 1 3 312.461 2.861 20 0 DFADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2cccc(-c3cnn(C)c3)c2)C1 ZINC000093770555 398645194 /nfs/dbraw/zinc/64/51/94/398645194.db2.gz ZZQRHOAZZLLDSY-KRWDZBQOSA-N 1 3 312.461 2.861 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccn(C)c3)CC2)C[C@@H](C)O1 ZINC000093844291 398647070 /nfs/dbraw/zinc/64/70/70/398647070.db2.gz ANXSGWLRUZIRLS-IAGOWNOFSA-N 1 3 319.493 2.736 20 0 DFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCCC[NH+](C)C ZINC000266841299 186355507 /nfs/dbraw/zinc/35/55/07/186355507.db2.gz OAZMCGKEBXZNTL-UHFFFAOYSA-N 1 3 317.433 2.566 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000268739287 186373159 /nfs/dbraw/zinc/37/31/59/186373159.db2.gz CQVKKUVMAMTAAL-APWZRJJASA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000268739287 186373162 /nfs/dbraw/zinc/37/31/62/186373162.db2.gz CQVKKUVMAMTAAL-APWZRJJASA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000268739287 186373164 /nfs/dbraw/zinc/37/31/64/186373164.db2.gz CQVKKUVMAMTAAL-APWZRJJASA-N 1 3 312.461 2.751 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000268739292 186373411 /nfs/dbraw/zinc/37/34/11/186373411.db2.gz CQVKKUVMAMTAAL-QFBILLFUSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000268739292 186373413 /nfs/dbraw/zinc/37/34/13/186373413.db2.gz CQVKKUVMAMTAAL-QFBILLFUSA-N 1 3 312.461 2.751 20 0 DFADHO CC[N@H+]1CC[C@@H](NCc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000268739292 186373415 /nfs/dbraw/zinc/37/34/15/186373415.db2.gz CQVKKUVMAMTAAL-QFBILLFUSA-N 1 3 312.461 2.751 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000268758659 186381765 /nfs/dbraw/zinc/38/17/65/186381765.db2.gz GBTWHCWLMLXMPD-JFIYKMOQSA-N 1 3 316.493 2.890 20 0 DFADHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414830112 295823214 /nfs/dbraw/zinc/82/32/14/295823214.db2.gz BUWILYFCCYKXQM-GJZGRUSLSA-N 1 3 305.466 2.972 20 0 DFADHO Fc1ccc(CNCC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000414826808 295822859 /nfs/dbraw/zinc/82/28/59/295822859.db2.gz GEKXWGGNUYGISG-JTQLQIEISA-N 1 3 301.203 2.677 20 0 DFADHO COc1ccc(CC[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1O ZINC000414835461 295823870 /nfs/dbraw/zinc/82/38/70/295823870.db2.gz UEDICVWSIAHENL-SLHHOWHOSA-N 1 3 304.434 2.595 20 0 DFADHO Fc1ccc(Br)c(F)c1CNCC[C@H]1CC[NH2+]C1 ZINC000414842983 295825207 /nfs/dbraw/zinc/82/52/07/295825207.db2.gz ZYQJPKWXACRYGC-SECBINFHSA-N 1 3 319.193 2.817 20 0 DFADHO c1sc(-c2ccccn2)nc1CNCC[C@H]1CCC[NH2+]C1 ZINC000414854003 295826296 /nfs/dbraw/zinc/82/62/96/295826296.db2.gz SULGRPOHMYMCAM-CYBMUJFWSA-N 1 3 302.447 2.684 20 0 DFADHO COc1cccc(CNCC2(C)CC[NH2+]CC2)c1OC(F)F ZINC000414908627 295833209 /nfs/dbraw/zinc/83/32/09/295833209.db2.gz QKMWMXVBMTXYKO-UHFFFAOYSA-N 1 3 314.376 2.776 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NCC[C@H]2CCC[NH2+]2)c(C)c1 ZINC000414903675 295832743 /nfs/dbraw/zinc/83/27/43/295832743.db2.gz KIULCWULKGDXAW-HZPDHXFCSA-N 1 3 303.450 2.752 20 0 DFADHO CCN(CC)C(=O)[C@@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121629098 282812735 /nfs/dbraw/zinc/81/27/35/282812735.db2.gz HYQJWKNLOAXHMU-QGZVFWFLSA-N 1 3 323.525 2.831 20 0 DFADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000415008279 295846723 /nfs/dbraw/zinc/84/67/23/295846723.db2.gz SFECYCMHNCETNL-LXZKKBNFSA-N 1 3 308.466 2.862 20 0 DFADHO COc1ccc(CN[C@H](C)CCCC[NH3+])c(Cl)c1OC ZINC000415019415 295847901 /nfs/dbraw/zinc/84/79/01/295847901.db2.gz VUXYCSRBDKSWNU-LLVKDONJSA-N 1 3 300.830 2.964 20 0 DFADHO CCCCc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000590817403 398680747 /nfs/dbraw/zinc/68/07/47/398680747.db2.gz DLUKPMZVGKFHPI-UHFFFAOYSA-N 1 3 319.493 2.595 20 0 DFADHO COc1ccc(OC(F)F)c(CN[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415029160 295848809 /nfs/dbraw/zinc/84/88/09/295848809.db2.gz DJRCUDLUIOSVIU-PWSUYJOCSA-N 1 3 300.349 2.514 20 0 DFADHO COc1ccc(Br)c(CN[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415045486 295850892 /nfs/dbraw/zinc/85/08/92/295850892.db2.gz UCPQICIPTSGAQD-CMPLNLGQSA-N 1 3 313.239 2.675 20 0 DFADHO CCOc1ccc(C[NH2+][C@H]2CCN(CC)C[C@H]2C)cc1OC ZINC000173362962 198207004 /nfs/dbraw/zinc/20/70/04/198207004.db2.gz WPJMMBJIZJLZQT-ZBFHGGJFSA-N 1 3 306.450 2.914 20 0 DFADHO C[C@H](NCCc1ccccc1OC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000415078883 295855205 /nfs/dbraw/zinc/85/52/05/295855205.db2.gz HBZPNEMUTPIEPI-WCQYABFASA-N 1 3 302.340 2.715 20 0 DFADHO COc1ccc(CCCN[C@H](C)C[C@@H]2CCC[NH2+]2)cc1OC ZINC000415077026 295855050 /nfs/dbraw/zinc/85/50/50/295855050.db2.gz DORXXSNKSRLMEJ-ZBFHGGJFSA-N 1 3 306.450 2.757 20 0 DFADHO FC(F)(F)Oc1ccccc1CCN[C@@H]1CCC[NH2+]CC1 ZINC000415085486 295856165 /nfs/dbraw/zinc/85/61/65/295856165.db2.gz QHCWMAYXPKTRON-CYBMUJFWSA-N 1 3 302.340 2.859 20 0 DFADHO C[C@@H](CC[NH+](C)C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000073643754 398692563 /nfs/dbraw/zinc/69/25/63/398692563.db2.gz YAAYBRJDONJGTP-ZDUSSCGKSA-N 1 3 317.433 2.564 20 0 DFADHO C[C@H](NC1CCC([NH3+])CC1)c1nc(-c2cccc(F)c2)no1 ZINC000415112713 295859765 /nfs/dbraw/zinc/85/97/65/295859765.db2.gz VVNBKGAZPZCSEX-FNBIGBAISA-N 1 3 304.369 2.796 20 0 DFADHO CCOc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415121252 295860876 /nfs/dbraw/zinc/86/08/76/295860876.db2.gz HWDZWBSNPBZWLL-HKUYNNGSSA-N 1 3 318.461 2.804 20 0 DFADHO Cc1ccc(F)c(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415124360 295861564 /nfs/dbraw/zinc/86/15/64/295861564.db2.gz MNWZWHWIEBHVMO-WMZOPIPTSA-N 1 3 306.425 2.852 20 0 DFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C/C=C\c2ccccc2)CC1 ZINC000415127473 295862151 /nfs/dbraw/zinc/86/21/51/295862151.db2.gz NGRIBSDABMVRMY-HUPPCRNXSA-N 1 3 300.446 2.918 20 0 DFADHO CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000236774727 202002413 /nfs/dbraw/zinc/00/24/13/202002413.db2.gz JZVLRGCIBLVUTB-YJBOKZPZSA-N 1 3 317.477 2.655 20 0 DFADHO CC(C)[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000236795796 202013958 /nfs/dbraw/zinc/01/39/58/202013958.db2.gz IDFVLCRHLZIRFE-YOEHRIQHSA-N 1 3 303.450 2.840 20 0 DFADHO CC(C)[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000236795796 202013962 /nfs/dbraw/zinc/01/39/62/202013962.db2.gz IDFVLCRHLZIRFE-YOEHRIQHSA-N 1 3 303.450 2.840 20 0 DFADHO CCC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236799076 202015315 /nfs/dbraw/zinc/01/53/15/202015315.db2.gz WCZYGMDGVACBEH-RHSMWYFYSA-N 1 3 303.450 2.984 20 0 DFADHO CCC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236799076 202015319 /nfs/dbraw/zinc/01/53/19/202015319.db2.gz WCZYGMDGVACBEH-RHSMWYFYSA-N 1 3 303.450 2.984 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129276905 283009156 /nfs/dbraw/zinc/00/91/56/283009156.db2.gz HLSUTNSRUDRCHA-GJZGRUSLSA-N 1 3 321.431 2.725 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000182407498 199433181 /nfs/dbraw/zinc/43/31/81/199433181.db2.gz JZGOXEDNIGRUEJ-IBGZPJMESA-N 1 3 319.468 2.820 20 0 DFADHO CC[C@@H](N)C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000130399821 283048052 /nfs/dbraw/zinc/04/80/52/283048052.db2.gz ZGSWQNIIQQGXBT-MRXNPFEDSA-N 1 3 316.449 2.659 20 0 DFADHO CC(C)CC[NH+]1CCC(CNCc2c(Cl)cnn2C)CC1 ZINC000132024133 283108221 /nfs/dbraw/zinc/10/82/21/283108221.db2.gz RPZWYMQPPUFPBC-UHFFFAOYSA-N 1 3 312.889 2.921 20 0 DFADHO CCN1CCC(N(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416149000 295924571 /nfs/dbraw/zinc/92/45/71/295924571.db2.gz VSSKRYZMUKUDET-SFHVURJKSA-N 1 3 317.477 2.622 20 0 DFADHO CC[NH+](CC)CCOC1CCN(CCOC(C)(C)C)CC1 ZINC000075007523 398780034 /nfs/dbraw/zinc/78/00/34/398780034.db2.gz PPHDJQVQSOXBHQ-UHFFFAOYSA-N 1 3 300.487 2.624 20 0 DFADHO CCCC[C@@H](C[NH3+])NC(=O)c1oc2ccccc2c1CN(C)C ZINC000236895369 202058168 /nfs/dbraw/zinc/05/81/68/202058168.db2.gz RLACIUZLHIXOKK-ZDUSSCGKSA-N 1 3 317.433 2.742 20 0 DFADHO CCc1ccc([C@H](CNC(=O)[C@]2(CC)CCC[NH2+]2)N(C)C)cc1 ZINC000134553966 283192111 /nfs/dbraw/zinc/19/21/11/283192111.db2.gz ZXBYDMWDKASEKY-HKUYNNGSSA-N 1 3 317.477 2.500 20 0 DFADHO CCC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000236966759 202099188 /nfs/dbraw/zinc/09/91/88/202099188.db2.gz GQGFPDPCCJJBQK-GOSISDBHSA-N 1 3 317.477 2.662 20 0 DFADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000237077652 202144836 /nfs/dbraw/zinc/14/48/36/202144836.db2.gz BDWUREOBVUQZRN-BHYGNILZSA-N 1 3 305.466 2.559 20 0 DFADHO COC(=O)c1cc(CNCCCC[NH+]2CCC(C)CC2)c(C)o1 ZINC000594602194 398828998 /nfs/dbraw/zinc/82/89/98/398828998.db2.gz VQRMMLGJJPCUIW-UHFFFAOYSA-N 1 3 322.449 2.976 20 0 DFADHO CCC(CC)[C@H](CN[C@H](C)[C@@H]1C[C@@H]1C(=O)OC)[NH+]1CCCC1 ZINC000594914178 398869747 /nfs/dbraw/zinc/86/97/47/398869747.db2.gz DZKUOULZQMCMKH-IWCQGFGOSA-N 1 3 310.482 2.674 20 0 DFADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000468551768 299280364 /nfs/dbraw/zinc/28/03/64/299280364.db2.gz FBLRNHOXRLGQKV-MOPGFXCFSA-N 1 3 316.489 2.834 20 0 DFADHO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000180998692 199239130 /nfs/dbraw/zinc/23/91/30/199239130.db2.gz XWXVHSOJQIRNNM-CABCVRRESA-N 1 3 305.466 2.502 20 0 DFADHO CN(CCCO)C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000187045115 200052255 /nfs/dbraw/zinc/05/22/55/200052255.db2.gz QPMNUZRTNHHNHN-UHFFFAOYSA-N 1 3 304.478 2.788 20 0 DFADHO COC(=O)CC1CCC([NH2+]Cc2cccc(CN(C)C)c2)CC1 ZINC000599019425 398908140 /nfs/dbraw/zinc/90/81/40/398908140.db2.gz KCKYKCKJUYPQRD-UHFFFAOYSA-N 1 3 318.461 2.960 20 0 DFADHO CO[C@@H](C)C[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000188109802 200194877 /nfs/dbraw/zinc/19/48/77/200194877.db2.gz NMUYFVYVFBWATI-WNHJNPCNSA-N 1 3 302.462 2.912 20 0 DFADHO C[C@H]1C[C@H](NC(=O)CCCCCC[NH3+])CN1Cc1ccccc1 ZINC000237637845 202314533 /nfs/dbraw/zinc/31/45/33/202314533.db2.gz UXZZMEKYUTWUKY-WMZOPIPTSA-N 1 3 317.477 2.675 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000237896122 202382416 /nfs/dbraw/zinc/38/24/16/202382416.db2.gz YDEWEEMXVIVVLG-ROUUACIJSA-N 1 3 315.461 2.530 20 0 DFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309948 296008737 /nfs/dbraw/zinc/00/87/37/296008737.db2.gz GQALTIIZUATCRW-HYVNUMGLSA-N 1 3 321.534 2.856 20 0 DFADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000192088042 296021766 /nfs/dbraw/zinc/02/17/66/296021766.db2.gz GTKIMNUQJQSVSP-RBSFLKMASA-N 1 3 323.506 2.621 20 0 DFADHO C[C@@H](CCN1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000193628442 201090119 /nfs/dbraw/zinc/09/01/19/201090119.db2.gz HNKBCGJVPMAABW-IBGZPJMESA-N 1 3 315.505 2.894 20 0 DFADHO C[C@@H](CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000604885263 398979603 /nfs/dbraw/zinc/97/96/03/398979603.db2.gz UPGNNULJAPXHAW-PKOBYXMFSA-N 1 3 301.478 2.502 20 0 DFADHO C[C@@H](CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000604885263 398979608 /nfs/dbraw/zinc/97/96/08/398979608.db2.gz UPGNNULJAPXHAW-PKOBYXMFSA-N 1 3 301.478 2.502 20 0 DFADHO c1ccc(CCN2CC[C@@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000194374339 201211328 /nfs/dbraw/zinc/21/13/28/201211328.db2.gz XJXYSKAVSGEFJY-OALUTQOASA-N 1 3 300.446 2.833 20 0 DFADHO c1ccc(CC[N@@H+]2CC[C@@H](CNC[C@@H]3CCC=CO3)C2)cc1 ZINC000194374339 201211330 /nfs/dbraw/zinc/21/13/30/201211330.db2.gz XJXYSKAVSGEFJY-OALUTQOASA-N 1 3 300.446 2.833 20 0 DFADHO c1ccc(CC[N@H+]2CC[C@@H](CNC[C@@H]3CCC=CO3)C2)cc1 ZINC000194374339 201211332 /nfs/dbraw/zinc/21/13/32/201211332.db2.gz XJXYSKAVSGEFJY-OALUTQOASA-N 1 3 300.446 2.833 20 0 DFADHO O=C(Nc1cccc(CN2CCCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000195186345 201355692 /nfs/dbraw/zinc/35/56/92/201355692.db2.gz BQSISSBATHZJKT-INIZCTEOSA-N 1 3 301.434 2.611 20 0 DFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(CO)c1 ZINC000271838398 209258387 /nfs/dbraw/zinc/25/83/87/209258387.db2.gz BFUAEZSEBBSPTK-BBWFWOEESA-N 1 3 320.477 2.719 20 0 DFADHO CC(C)(C(=O)NC[C@H]1[NH2+]CCCC1(C)C)[C@@H](N)c1ccccc1 ZINC000417834467 296055983 /nfs/dbraw/zinc/05/59/83/296055983.db2.gz VHYSSYFJRLSVKB-CVEARBPZSA-N 1 3 317.477 2.607 20 0 DFADHO Cc1cc(C[NH2+]CC2CCN(Cc3cccs3)CC2)n(C)n1 ZINC000417879078 296060452 /nfs/dbraw/zinc/06/04/52/296060452.db2.gz BHQYFBAZLUVVJS-UHFFFAOYSA-N 1 3 318.490 2.792 20 0 DFADHO c1cn2c(n1)CC[C@@H](C[NH2+]Cc1c[nH]c(-c3ccccc3)n1)C2 ZINC000275390951 212305841 /nfs/dbraw/zinc/30/58/41/212305841.db2.gz BYLMTUIMZVVKMP-AWEZNQCLSA-N 1 3 307.401 2.625 20 0 DFADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)CC1(CC(=O)OC)CC1 ZINC000599659219 399049036 /nfs/dbraw/zinc/04/90/36/399049036.db2.gz GRNLVKPIWQHKEM-UHFFFAOYSA-N 1 3 318.461 2.913 20 0 DFADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)CC1(CC(=O)OC)CC1 ZINC000599659219 399049040 /nfs/dbraw/zinc/04/90/40/399049040.db2.gz GRNLVKPIWQHKEM-UHFFFAOYSA-N 1 3 318.461 2.913 20 0 DFADHO Cc1nc(C)c(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)s1 ZINC000172339292 399075101 /nfs/dbraw/zinc/07/51/01/399075101.db2.gz INPYVHYGKOAREY-STQMWFEESA-N 1 3 311.495 2.739 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000479588919 299380400 /nfs/dbraw/zinc/38/04/00/299380400.db2.gz JYHRBUHXXUOYIM-HZPDHXFCSA-N 1 3 321.509 2.630 20 0 DFADHO CC[C@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C(C)(C)O ZINC000295083497 284019378 /nfs/dbraw/zinc/01/93/78/284019378.db2.gz UCDXIRAQXSQDMK-YOEHRIQHSA-N 1 3 308.466 2.827 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)[C@H](C)c1ccccc1 ZINC000128277406 296123171 /nfs/dbraw/zinc/12/31/71/296123171.db2.gz LDOWLQIASHMEMA-ZWKOTPCHSA-N 1 3 303.494 2.796 20 0 DFADHO CCN1CC[C@H](C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338433235 284112939 /nfs/dbraw/zinc/11/29/39/284112939.db2.gz WAVZUPZLAKUPDT-MRXNPFEDSA-N 1 3 312.461 2.827 20 0 DFADHO CC[N@@H+]1CC[C@H](CNCc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338433235 284112943 /nfs/dbraw/zinc/11/29/43/284112943.db2.gz WAVZUPZLAKUPDT-MRXNPFEDSA-N 1 3 312.461 2.827 20 0 DFADHO CC[N@H+]1CC[C@H](CNCc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338433235 284112949 /nfs/dbraw/zinc/11/29/49/284112949.db2.gz WAVZUPZLAKUPDT-MRXNPFEDSA-N 1 3 312.461 2.827 20 0 DFADHO C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[C@H](N)c1ccccc1 ZINC000261786658 203116133 /nfs/dbraw/zinc/11/61/33/203116133.db2.gz SOILJWYCTHNAEN-RYRKJORJSA-N 1 3 317.477 2.703 20 0 DFADHO C[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[C@H](N)c1ccccc1 ZINC000261786658 203116136 /nfs/dbraw/zinc/11/61/36/203116136.db2.gz SOILJWYCTHNAEN-RYRKJORJSA-N 1 3 317.477 2.703 20 0 DFADHO CCN(CC)[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)c1ccsc1 ZINC000261884771 203144381 /nfs/dbraw/zinc/14/43/81/203144381.db2.gz UXKVMCYWEQHEIV-GOEBONIOSA-N 1 3 323.506 2.637 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262138081 203209032 /nfs/dbraw/zinc/20/90/32/203209032.db2.gz LNUAXVSODHIPPU-QAPCUYQASA-N 1 3 317.477 2.805 20 0 DFADHO CCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000262138081 203209036 /nfs/dbraw/zinc/20/90/36/203209036.db2.gz LNUAXVSODHIPPU-QAPCUYQASA-N 1 3 317.477 2.805 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccsc1 ZINC000262318692 203259799 /nfs/dbraw/zinc/25/97/99/203259799.db2.gz CHPAROBJNAOCEP-DZKIICNBSA-N 1 3 323.506 2.635 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000262372616 203276881 /nfs/dbraw/zinc/27/68/81/203276881.db2.gz KFYCJVMJXARENX-SZMVWBNQSA-N 1 3 317.477 2.574 20 0 DFADHO CN1CC[C@@H]([NH2+]CCN2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340174245 284155482 /nfs/dbraw/zinc/15/54/82/284155482.db2.gz NNKZLGCYNPMEAA-RTBURBONSA-N 1 3 301.478 2.897 20 0 DFADHO C[N@@H+]1CC[C@@H](NCCN2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340174245 284155484 /nfs/dbraw/zinc/15/54/84/284155484.db2.gz NNKZLGCYNPMEAA-RTBURBONSA-N 1 3 301.478 2.897 20 0 DFADHO C[N@H+]1CC[C@@H](NCCN2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340174245 284155487 /nfs/dbraw/zinc/15/54/87/284155487.db2.gz NNKZLGCYNPMEAA-RTBURBONSA-N 1 3 301.478 2.897 20 0 DFADHO CCC[C@](C)(N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000262587180 203341743 /nfs/dbraw/zinc/34/17/43/203341743.db2.gz SXMZQQLRBWCXIY-SFHVURJKSA-N 1 3 303.450 2.781 20 0 DFADHO CCC(CC)(CNC(=O)C(C)(C)N)[NH2+][C@H](C)c1ccccc1 ZINC000262673568 203376006 /nfs/dbraw/zinc/37/60/06/203376006.db2.gz QAJBCSNUIXDLIR-CQSZACIVSA-N 1 3 305.466 2.750 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@]1(C)CCCO1 ZINC000340270357 284165620 /nfs/dbraw/zinc/16/56/20/284165620.db2.gz AWDIVFOAYBDWDC-CRAIPNDOSA-N 1 3 303.450 2.845 20 0 DFADHO CCC[C@](C)(N)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000262720959 203392799 /nfs/dbraw/zinc/39/27/99/203392799.db2.gz ZRQKODQSOOBDNA-SFHVURJKSA-N 1 3 321.465 2.863 20 0 DFADHO COc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093735141 193298053 /nfs/dbraw/zinc/29/80/53/193298053.db2.gz ARPAHAWDDFHPFZ-UHFFFAOYSA-N 1 3 318.461 2.772 20 0 DFADHO COCC[N@H+](C)CCCC1CCN(Cc2cccnc2C)CC1 ZINC000093769474 193302693 /nfs/dbraw/zinc/30/26/93/193302693.db2.gz FDQPNJGXTDKOIR-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cccnc2C)CC1 ZINC000093769474 193302695 /nfs/dbraw/zinc/30/26/95/193302695.db2.gz FDQPNJGXTDKOIR-UHFFFAOYSA-N 1 3 319.493 2.960 20 0 DFADHO COC(=O)c1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000595895936 399127052 /nfs/dbraw/zinc/12/70/52/399127052.db2.gz WQYQEMGVJSXBHF-GJZGRUSLSA-N 1 3 322.474 2.746 20 0 DFADHO CC[C@H](Cn1cncn1)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000340520658 284186322 /nfs/dbraw/zinc/18/63/22/284186322.db2.gz SVVTYWHIOXBHHQ-GOSISDBHSA-N 1 3 315.465 2.687 20 0 DFADHO CC[C@H](Cn1cncn1)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000340520658 284186325 /nfs/dbraw/zinc/18/63/25/284186325.db2.gz SVVTYWHIOXBHHQ-GOSISDBHSA-N 1 3 315.465 2.687 20 0 DFADHO CC(C)[NH+]1CCC(O)(CNCc2cc(F)cc(Cl)c2)CC1 ZINC000274971017 212050573 /nfs/dbraw/zinc/05/05/73/212050573.db2.gz ILFXKEZPBQBWCU-UHFFFAOYSA-N 1 3 314.832 2.804 20 0 DFADHO CSC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274964651 212046919 /nfs/dbraw/zinc/04/69/19/212046919.db2.gz XFKATDJSDFTTNO-KBAYOESNSA-N 1 3 322.518 2.601 20 0 DFADHO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000187887382 296162451 /nfs/dbraw/zinc/16/24/51/296162451.db2.gz GQGNPCKNDMUMLB-JLSDUUJJSA-N 1 3 306.450 2.581 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000420295817 296170433 /nfs/dbraw/zinc/17/04/33/296170433.db2.gz AXDPKQKHYLQTAV-UFYCRDLUSA-N 1 3 310.441 2.754 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000420295817 296170434 /nfs/dbraw/zinc/17/04/34/296170434.db2.gz AXDPKQKHYLQTAV-UFYCRDLUSA-N 1 3 310.441 2.754 20 0 DFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H]1c1ccccc1 ZINC000420295817 296170435 /nfs/dbraw/zinc/17/04/35/296170435.db2.gz AXDPKQKHYLQTAV-UFYCRDLUSA-N 1 3 310.441 2.754 20 0 DFADHO c1ccc([C@H]2c3ccccc3CCN2CCN2CC[NH2+]CC2)cc1 ZINC000420295747 296170514 /nfs/dbraw/zinc/17/05/14/296170514.db2.gz COVFFHZQZNUZEX-NRFANRHFSA-N 1 3 321.468 2.539 20 0 DFADHO CCCN(CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1 ZINC000420302532 296171572 /nfs/dbraw/zinc/17/15/72/296171572.db2.gz MMXANDCPLJCVHH-AWEZNQCLSA-N 1 3 323.868 2.990 20 0 DFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000420302458 296171585 /nfs/dbraw/zinc/17/15/85/296171585.db2.gz MGRAHFHOYWYZLN-KRWDZBQOSA-N 1 3 318.461 2.630 20 0 DFADHO COc1ccc([C@@H](CN)C[N@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000420302458 296171586 /nfs/dbraw/zinc/17/15/86/296171586.db2.gz MGRAHFHOYWYZLN-KRWDZBQOSA-N 1 3 318.461 2.630 20 0 DFADHO CCC[C@@]1(C)CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420301608 296171885 /nfs/dbraw/zinc/17/18/85/296171885.db2.gz LQIRWERQRWQSCX-FHWLQOOXSA-N 1 3 304.478 2.820 20 0 DFADHO COC(=O)CCCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420306951 296172558 /nfs/dbraw/zinc/17/25/58/296172558.db2.gz IAMBPGGZAJRMPD-OAHLLOKOSA-N 1 3 322.474 2.645 20 0 DFADHO CN(CC[C@@H]1CC[NH2+]C1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000420306205 296172707 /nfs/dbraw/zinc/17/27/07/296172707.db2.gz ACMDCBQHDVHJIA-KBXCAEBGSA-N 1 3 316.424 2.580 20 0 DFADHO CCc1ccc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000420313947 296173809 /nfs/dbraw/zinc/17/38/09/296173809.db2.gz JNISTPQZWGOZOK-INIZCTEOSA-N 1 3 321.534 2.818 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000420318368 296174293 /nfs/dbraw/zinc/17/42/93/296174293.db2.gz OOQQQJGDODMNIL-KSZLIROESA-N 1 3 316.470 2.816 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000420318368 296174294 /nfs/dbraw/zinc/17/42/94/296174294.db2.gz OOQQQJGDODMNIL-KSZLIROESA-N 1 3 316.470 2.816 20 0 DFADHO C[C@@H](c1ccc(F)cc1F)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420324887 296175241 /nfs/dbraw/zinc/17/52/41/296175241.db2.gz VPNSRQOVRUIKML-GJZGRUSLSA-N 1 3 323.431 2.643 20 0 DFADHO CC[C@@H](c1ccc(F)cc1)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323656 296175309 /nfs/dbraw/zinc/17/53/09/296175309.db2.gz GPLJAPFUVCABAR-RDJZCZTQSA-N 1 3 306.425 2.964 20 0 DFADHO c1ccc2nc(N3CCN(CC[C@@H]4CCC[NH2+]C4)CC3)ccc2c1 ZINC000420322089 296174886 /nfs/dbraw/zinc/17/48/86/296174886.db2.gz SEZIRTFAVRUVPM-KRWDZBQOSA-N 1 3 324.472 2.747 20 0 DFADHO c1ccc([C@H]2CN(CCN3CC[NH2+]CC3)Cc3ccccc32)cc1 ZINC000420325910 296175714 /nfs/dbraw/zinc/17/57/14/296175714.db2.gz WXGNFWYAEPPUBR-OAQYLSRUSA-N 1 3 321.468 2.539 20 0 DFADHO CCCCN(CCCC)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335957 296177188 /nfs/dbraw/zinc/17/71/88/296177188.db2.gz IGCJDRCSDKLBDM-ZWKOTPCHSA-N 1 3 323.525 2.737 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCOc2ccccc2Cl)CC1 ZINC000420337770 296177231 /nfs/dbraw/zinc/17/72/31/296177231.db2.gz XATTYDJKVDDLMW-WBVHZDCISA-N 1 3 324.852 2.547 20 0 DFADHO Cc1cc(C)cc(NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420339005 296177527 /nfs/dbraw/zinc/17/75/27/296177527.db2.gz LJXCDZZEXPVSHG-IRXDYDNUSA-N 1 3 315.461 2.563 20 0 DFADHO CCc1ccc(NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420343910 296177803 /nfs/dbraw/zinc/17/78/03/296177803.db2.gz RRIGSBAQUKIVKB-SJORKVTESA-N 1 3 315.461 2.509 20 0 DFADHO Cc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)c(CN(C)C)c1 ZINC000080669205 399168086 /nfs/dbraw/zinc/16/80/86/399168086.db2.gz LALITOIJDCLSEN-IRXDYDNUSA-N 1 3 315.461 2.870 20 0 DFADHO Cc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)c(CN(C)C)c1 ZINC000080669205 399168089 /nfs/dbraw/zinc/16/80/89/399168089.db2.gz LALITOIJDCLSEN-IRXDYDNUSA-N 1 3 315.461 2.870 20 0 DFADHO Cc1ccc(C)c(NC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420341800 296177686 /nfs/dbraw/zinc/17/76/86/296177686.db2.gz QGYFNOHRCBOYNT-ZACQAIPSSA-N 1 3 315.461 2.562 20 0 DFADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OC)cc1 ZINC000282509219 217049973 /nfs/dbraw/zinc/04/99/73/217049973.db2.gz YSNZDYZJJPZYDT-SFHVURJKSA-N 1 3 319.493 2.762 20 0 DFADHO CCOC(=O)C1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000596094052 399171159 /nfs/dbraw/zinc/17/11/59/399171159.db2.gz IATSDBYPBVUEBX-AOCRQIFASA-N 1 3 322.493 2.820 20 0 DFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2c2cccnc2)cc1 ZINC000420364975 296180725 /nfs/dbraw/zinc/18/07/25/296180725.db2.gz RQMZKTJBNWKWKA-MJGOQNOKSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000420364975 296180726 /nfs/dbraw/zinc/18/07/26/296180726.db2.gz RQMZKTJBNWKWKA-MJGOQNOKSA-N 1 3 311.429 2.970 20 0 DFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000420364975 296180727 /nfs/dbraw/zinc/18/07/27/296180727.db2.gz RQMZKTJBNWKWKA-MJGOQNOKSA-N 1 3 311.429 2.970 20 0 DFADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000420363716 296180233 /nfs/dbraw/zinc/18/02/33/296180233.db2.gz CCJRRFQAFZLBTQ-LLVKDONJSA-N 1 3 302.249 2.549 20 0 DFADHO CC1(C)CNCC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000420364839 296180808 /nfs/dbraw/zinc/18/08/08/296180808.db2.gz PIQFTSYKSNIOCC-AWEZNQCLSA-N 1 3 300.805 2.836 20 0 DFADHO Cc1cccc(OCCN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420372866 296181968 /nfs/dbraw/zinc/18/19/68/296181968.db2.gz FUYKIWYFBFXJPU-RBUKOAKNSA-N 1 3 318.461 2.592 20 0 DFADHO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420372325 296181763 /nfs/dbraw/zinc/18/17/63/296181763.db2.gz FCQXDBCJFNOWHD-SJORKVTESA-N 1 3 317.412 2.664 20 0 DFADHO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420372325 296181766 /nfs/dbraw/zinc/18/17/66/296181766.db2.gz FCQXDBCJFNOWHD-SJORKVTESA-N 1 3 317.412 2.664 20 0 DFADHO CCc1cccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420374633 296182328 /nfs/dbraw/zinc/18/23/28/296182328.db2.gz HQKQIPCPGTZUCT-MOPGFXCFSA-N 1 3 302.462 2.967 20 0 DFADHO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)[C@@H](N)Cc2ccccc2)cc1C ZINC000420373582 296182345 /nfs/dbraw/zinc/18/23/45/296182345.db2.gz MOHRCPQDYHQRAY-UXPWSPDFSA-N 1 3 312.457 2.885 20 0 DFADHO C[C@H](Cc1cccc(Cl)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000282617795 217128553 /nfs/dbraw/zinc/12/85/53/217128553.db2.gz JFWDZBRSIZLXJE-RHSMWYFYSA-N 1 3 310.869 2.707 20 0 DFADHO C[C@@H](NCCN1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000420382109 296183485 /nfs/dbraw/zinc/18/34/85/296183485.db2.gz YEYSWWJWERRSNJ-SNVBAGLBSA-N 1 3 320.239 2.688 20 0 DFADHO c1ccc2c(c1)cncc2N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420380961 296183681 /nfs/dbraw/zinc/18/36/81/296183681.db2.gz XDTUNYCRZGMLPI-QGZVFWFLSA-N 1 3 324.472 2.747 20 0 DFADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cccc(F)c1 ZINC000420390944 296185175 /nfs/dbraw/zinc/18/51/75/296185175.db2.gz IBDNHWMSNBMRPP-WMLDXEAASA-N 1 3 319.424 2.618 20 0 DFADHO Cc1cccc([C@H](C)[NH2+]C[C@H](O)[C@@H](N)Cc2ccccc2)c1C ZINC000420395214 296185770 /nfs/dbraw/zinc/18/57/70/296185770.db2.gz DDPMTQVQWSSFKA-VDGAXYAQSA-N 1 3 312.457 2.885 20 0 DFADHO Cc1ccc(C[NH2+]CC2=CCN(C)CC2)c(-c2cnn(C)c2)c1 ZINC000282724572 217204888 /nfs/dbraw/zinc/20/48/88/217204888.db2.gz SAXGUKKQIANNPO-UHFFFAOYSA-N 1 3 310.445 2.747 20 0 DFADHO Cc1cccc(OCCN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420395913 296185531 /nfs/dbraw/zinc/18/55/31/296185531.db2.gz UURAAAOVKAYFEK-MJGOQNOKSA-N 1 3 318.461 2.592 20 0 DFADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCCCC1 ZINC000618662002 399200737 /nfs/dbraw/zinc/20/07/37/399200737.db2.gz VCTSBDJPNUAJFK-SJORKVTESA-N 1 3 321.509 2.774 20 0 DFADHO C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCCCCC1 ZINC000618662002 399200739 /nfs/dbraw/zinc/20/07/39/399200739.db2.gz VCTSBDJPNUAJFK-SJORKVTESA-N 1 3 321.509 2.774 20 0 DFADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)N(CC)CC ZINC000618661075 399200444 /nfs/dbraw/zinc/20/04/44/399200444.db2.gz NQHDJLGIFSBUKK-DOTOQJQBSA-N 1 3 309.498 2.630 20 0 DFADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)N(CC)CC ZINC000618661075 399200447 /nfs/dbraw/zinc/20/04/47/399200447.db2.gz NQHDJLGIFSBUKK-DOTOQJQBSA-N 1 3 309.498 2.630 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1CC1(C)C ZINC000487309645 299457242 /nfs/dbraw/zinc/45/72/42/299457242.db2.gz LEQCDIDLTBMSPM-PBHICJAKSA-N 1 3 317.477 2.502 20 0 DFADHO C[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000343085278 284469482 /nfs/dbraw/zinc/46/94/82/284469482.db2.gz NLLCAPGEWWZCIS-BRWVUGGUSA-N 1 3 321.509 2.725 20 0 DFADHO CC[NH+]1CCC(N2CCCN([C@H](C)c3cccnc3)CC2)CC1 ZINC000420972420 296219823 /nfs/dbraw/zinc/21/98/23/296219823.db2.gz AVBHQFDMUIQMOA-QGZVFWFLSA-N 1 3 316.493 2.635 20 0 DFADHO C[C@@H](c1ccccc1F)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000355062931 296239997 /nfs/dbraw/zinc/23/99/97/296239997.db2.gz HSWFKBOSYNPGKT-HOTGVXAUSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@@H](c1ccccc1F)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000355062931 296240000 /nfs/dbraw/zinc/24/00/00/296240000.db2.gz HSWFKBOSYNPGKT-HOTGVXAUSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@H](c1ccncc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000608750910 399292929 /nfs/dbraw/zinc/29/29/29/399292929.db2.gz IJCSZAYJKOVTJJ-MRXNPFEDSA-N 1 3 303.450 2.719 20 0 DFADHO C[NH+]1CCC(NCCOc2cccc(Br)c2)CC1 ZINC000042224629 183244403 /nfs/dbraw/zinc/24/44/03/183244403.db2.gz KBLUFVCKMVCYFU-UHFFFAOYSA-N 1 3 313.239 2.512 20 0 DFADHO Clc1ccccc1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957299 425883671 /nfs/dbraw/zinc/88/36/71/425883671.db2.gz OKSWIYPVOCTXPH-UHFFFAOYSA-N 1 3 308.853 2.884 20 0 DFADHO CC[NH+]1CCC(CNCc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000619509056 399355575 /nfs/dbraw/zinc/35/55/75/399355575.db2.gz SDXJARTWAHJMBH-UHFFFAOYSA-N 1 3 324.852 2.948 20 0 DFADHO CCN1CCN(CCCC[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000623356971 399370939 /nfs/dbraw/zinc/37/09/39/399370939.db2.gz RBUIKOBNVQVRHJ-UHFFFAOYSA-N 1 3 314.477 2.675 20 0 DFADHO CN1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC1(C)C ZINC000623354964 399370258 /nfs/dbraw/zinc/37/02/58/399370258.db2.gz QPWGMROALOSMSD-MRXNPFEDSA-N 1 3 302.466 2.644 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)CC1(C)C ZINC000623376013 399374974 /nfs/dbraw/zinc/37/49/74/399374974.db2.gz BYRLHPUDZHNYAG-HNNXBMFYSA-N 1 3 316.424 2.974 20 0 DFADHO CN(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623370436 399374250 /nfs/dbraw/zinc/37/42/50/399374250.db2.gz KAVVDHMBBCFDEJ-MSOLQXFVSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)C[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623370436 399374253 /nfs/dbraw/zinc/37/42/53/399374253.db2.gz KAVVDHMBBCFDEJ-MSOLQXFVSA-N 1 3 303.494 2.622 20 0 DFADHO CN(C)C[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623370436 399374256 /nfs/dbraw/zinc/37/42/56/399374256.db2.gz KAVVDHMBBCFDEJ-MSOLQXFVSA-N 1 3 303.494 2.622 20 0 DFADHO C[C@H]1Cc2ccccc2N1CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623380513 399376206 /nfs/dbraw/zinc/37/62/06/399376206.db2.gz BSQSXXFCBSCQEH-DOTOQJQBSA-N 1 3 301.478 2.900 20 0 DFADHO C[C@H]1Cc2ccccc2N1CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623380513 399376208 /nfs/dbraw/zinc/37/62/08/399376208.db2.gz BSQSXXFCBSCQEH-DOTOQJQBSA-N 1 3 301.478 2.900 20 0 DFADHO CN(C)c1c(CNCCC2CC[NH+](C)CC2)ccc(F)c1F ZINC000623403103 399381275 /nfs/dbraw/zinc/38/12/75/399381275.db2.gz JYDFEFKYEWDKDU-UHFFFAOYSA-N 1 3 311.420 2.852 20 0 DFADHO C[C@H](Cc1ccc(Br)cc1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400502405 295497912 /nfs/dbraw/zinc/49/79/12/295497912.db2.gz IXGXWBJMQPWEBR-DYEKYZERSA-N 1 3 311.267 2.968 20 0 DFADHO C[NH+]1CCC(N2CCC(NC(=O)CC3=CCCCC3)CC2)CC1 ZINC000106759622 194250129 /nfs/dbraw/zinc/25/01/29/194250129.db2.gz JDAJMXMBBVNCHL-UHFFFAOYSA-N 1 3 319.493 2.552 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@H](CO)Cc2c[nH]c3ccccc23)CC1(C)C ZINC000623421716 399385871 /nfs/dbraw/zinc/38/58/71/399385871.db2.gz XLCIKELKUYKJRR-HOTGVXAUSA-N 1 3 315.461 2.534 20 0 DFADHO C[N@H+]1CC[C@H](N[C@H](CO)Cc2c[nH]c3ccccc23)CC1(C)C ZINC000623421716 399385874 /nfs/dbraw/zinc/38/58/74/399385874.db2.gz XLCIKELKUYKJRR-HOTGVXAUSA-N 1 3 315.461 2.534 20 0 DFADHO CN(C)C1(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)Cc2ccccc2C1 ZINC000623429477 399387283 /nfs/dbraw/zinc/38/72/83/399387283.db2.gz FYYANMHGPYFBII-GOSISDBHSA-N 1 3 315.505 2.548 20 0 DFADHO CN(CC[NH2+][C@@H]1CCN(C)C(C)(C)C1)Cc1ccc(F)cc1 ZINC000623440270 399390528 /nfs/dbraw/zinc/39/05/28/399390528.db2.gz PRXNJBUOUHGCJS-QGZVFWFLSA-N 1 3 307.457 2.720 20 0 DFADHO CN(CCN[C@@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccc(F)cc1 ZINC000623440270 399390531 /nfs/dbraw/zinc/39/05/31/399390531.db2.gz PRXNJBUOUHGCJS-QGZVFWFLSA-N 1 3 307.457 2.720 20 0 DFADHO CN(CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccc(F)cc1 ZINC000623440270 399390533 /nfs/dbraw/zinc/39/05/33/399390533.db2.gz PRXNJBUOUHGCJS-QGZVFWFLSA-N 1 3 307.457 2.720 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cccc(C3CC3)c2)CC1 ZINC000422553562 296312007 /nfs/dbraw/zinc/31/20/07/296312007.db2.gz KDNNDAURBAQDHV-MOPGFXCFSA-N 1 3 300.446 2.892 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)NC(C)(C)CC[NH3+])c1ccccc1 ZINC000422592112 296314854 /nfs/dbraw/zinc/31/48/54/296314854.db2.gz CWLGWNRMPJGQJW-AWEZNQCLSA-N 1 3 320.481 2.542 20 0 DFADHO COc1ccc(COCCN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623481679 399399026 /nfs/dbraw/zinc/39/90/26/399399026.db2.gz PBJOXKCRXFHBTJ-INIZCTEOSA-N 1 3 306.450 2.674 20 0 DFADHO COc1ccc(COCCN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623481679 399399029 /nfs/dbraw/zinc/39/90/29/399399029.db2.gz PBJOXKCRXFHBTJ-INIZCTEOSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc(OCCN(C)C)c1 ZINC000268895631 207063857 /nfs/dbraw/zinc/06/38/57/207063857.db2.gz PAXTXTXBISOWJQ-QGTPRVQTSA-N 1 3 306.450 2.581 20 0 DFADHO C[C@@H]1C[C@H](C)[N@H+](CCCOCCc2ccccc2)C[C@H]1CN ZINC000422625265 296316481 /nfs/dbraw/zinc/31/64/81/296316481.db2.gz BBZZKSNSMNVIBY-ZIFCJYIRSA-N 1 3 304.478 2.941 20 0 DFADHO C[C@@H]1C[C@H](C)[N@@H+](CCCOCCc2ccccc2)C[C@H]1CN ZINC000422625265 296316482 /nfs/dbraw/zinc/31/64/82/296316482.db2.gz BBZZKSNSMNVIBY-ZIFCJYIRSA-N 1 3 304.478 2.941 20 0 DFADHO C[C@@H]1C[C@H](C)N(CCCOCCc2ccccc2)C[C@H]1C[NH3+] ZINC000422625265 296316484 /nfs/dbraw/zinc/31/64/84/296316484.db2.gz BBZZKSNSMNVIBY-ZIFCJYIRSA-N 1 3 304.478 2.941 20 0 DFADHO Cn1nc(CCN[C@@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc21 ZINC000623495623 399401709 /nfs/dbraw/zinc/40/17/09/399401709.db2.gz KNKYGYMVZYFCNW-CQSZACIVSA-N 1 3 300.450 2.578 20 0 DFADHO Cn1nc(CCN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000623495623 399401712 /nfs/dbraw/zinc/40/17/12/399401712.db2.gz KNKYGYMVZYFCNW-CQSZACIVSA-N 1 3 300.450 2.578 20 0 DFADHO COc1ccc(CCC[NH2+][C@@H]2CCCC[C@H]2CN)cc1OC ZINC000422699168 296318291 /nfs/dbraw/zinc/31/82/91/296318291.db2.gz AHEXUUPDTBLVPX-JKSUJKDBSA-N 1 3 306.450 2.744 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@H]1NCC(C)(C)N1CCc2ccccc2C1 ZINC000422704179 296318978 /nfs/dbraw/zinc/31/89/78/296318978.db2.gz OTGDEBSMJCJVLF-QFBILLFUSA-N 1 3 315.505 2.801 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000422707557 296319563 /nfs/dbraw/zinc/31/95/63/296319563.db2.gz ALEDHQYAXAQQIZ-ZBFHGGJFSA-N 1 3 313.401 2.749 20 0 DFADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCCCN1)N1CCc2sccc2C1 ZINC000422711310 296320180 /nfs/dbraw/zinc/32/01/80/296320180.db2.gz GWYQWRAUYRUKIO-FMKPAKJESA-N 1 3 307.507 2.615 20 0 DFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC(=O)NC1CCCCC1 ZINC000422715494 296320597 /nfs/dbraw/zinc/32/05/97/296320597.db2.gz MIWFVOHQUGJBLV-NVXWUHKLSA-N 1 3 309.498 2.726 20 0 DFADHO CC(C)CC(=O)Nc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422723734 296321638 /nfs/dbraw/zinc/32/16/38/296321638.db2.gz SGKMYGHWPYFQHL-DOTOQJQBSA-N 1 3 303.450 2.888 20 0 DFADHO Cc1cccc2nc(CCN[C@@H]3CC[N@@H+](C)C(C)(C)C3)cn21 ZINC000623558747 399415593 /nfs/dbraw/zinc/41/55/93/399415593.db2.gz HOOYNIHKXFFMMZ-OAHLLOKOSA-N 1 3 300.450 2.648 20 0 DFADHO Cc1cccc2nc(CCN[C@@H]3CC[N@H+](C)C(C)(C)C3)cn21 ZINC000623558747 399415595 /nfs/dbraw/zinc/41/55/95/399415595.db2.gz HOOYNIHKXFFMMZ-OAHLLOKOSA-N 1 3 300.450 2.648 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575128 399419876 /nfs/dbraw/zinc/41/98/76/399419876.db2.gz LWIMYICMMWPZKO-ZWKOTPCHSA-N 1 3 301.478 2.723 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575128 399419880 /nfs/dbraw/zinc/41/98/80/399419880.db2.gz LWIMYICMMWPZKO-ZWKOTPCHSA-N 1 3 301.478 2.723 20 0 DFADHO CN(C)C(=O)C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000422728002 296322534 /nfs/dbraw/zinc/32/25/34/296322534.db2.gz INXFHZSIWIUFQS-IXDOHACOSA-N 1 3 321.509 2.535 20 0 DFADHO C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1cnccc1N ZINC000422727223 296322542 /nfs/dbraw/zinc/32/25/42/296322542.db2.gz BUOVKJDRGYVNCP-DNVCBOLYSA-N 1 3 310.445 2.982 20 0 DFADHO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1cnccc1N ZINC000422727222 296322612 /nfs/dbraw/zinc/32/26/12/296322612.db2.gz BUOVKJDRGYVNCP-BEFAXECRSA-N 1 3 310.445 2.982 20 0 DFADHO CN1CC[C@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575128 399419874 /nfs/dbraw/zinc/41/98/74/399419874.db2.gz LWIMYICMMWPZKO-ZWKOTPCHSA-N 1 3 301.478 2.723 20 0 DFADHO CO[C@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C(C)C ZINC000268998663 207156294 /nfs/dbraw/zinc/15/62/94/207156294.db2.gz UFZJTXFLIDEEFR-MAUKXSAKSA-N 1 3 308.466 2.949 20 0 DFADHO CN1CCCC[C@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000623656997 399436807 /nfs/dbraw/zinc/43/68/07/399436807.db2.gz HJJWGULISIOBRX-IEBWSBKVSA-N 1 3 318.461 2.676 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cccc(OCCN(C)C)c1 ZINC000269048580 207198757 /nfs/dbraw/zinc/19/87/57/207198757.db2.gz WZZZZGYVGIAZLK-KVSKMBFKSA-N 1 3 320.477 2.829 20 0 DFADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000623656999 399437367 /nfs/dbraw/zinc/43/73/67/399437367.db2.gz HJJWGULISIOBRX-PKOBYXMFSA-N 1 3 318.461 2.676 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccccc1C(F)(F)F ZINC000269052747 207203575 /nfs/dbraw/zinc/20/35/75/207203575.db2.gz RJDQVQCDKKCNBH-LBPRGKRZSA-N 1 3 316.367 2.813 20 0 DFADHO CC(C)(O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000269064915 207212968 /nfs/dbraw/zinc/21/29/68/207212968.db2.gz VJQWMRNORSHEAO-ZWKOTPCHSA-N 1 3 302.462 2.744 20 0 DFADHO CC(C)(O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000269064915 207212970 /nfs/dbraw/zinc/21/29/70/207212970.db2.gz VJQWMRNORSHEAO-ZWKOTPCHSA-N 1 3 302.462 2.744 20 0 DFADHO CC(C)(O)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000269064910 207213483 /nfs/dbraw/zinc/21/34/83/207213483.db2.gz VJQWMRNORSHEAO-MSOLQXFVSA-N 1 3 302.462 2.744 20 0 DFADHO CC(C)(O)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000269064910 207213486 /nfs/dbraw/zinc/21/34/86/207213486.db2.gz VJQWMRNORSHEAO-MSOLQXFVSA-N 1 3 302.462 2.744 20 0 DFADHO C[NH2+]Cc1cccc(NC(=O)[C@H](C(C)C)N2CCCCC2)c1 ZINC000269123594 207258038 /nfs/dbraw/zinc/25/80/38/207258038.db2.gz ABJMCKWRDIHREK-KRWDZBQOSA-N 1 3 303.450 2.855 20 0 DFADHO C[C@H](N[C@H]1CCN([C@@H](C)c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422740764 296324479 /nfs/dbraw/zinc/32/44/79/296324479.db2.gz NEAVPSSHOBPAGI-CAMMJAKZSA-N 1 3 301.478 2.942 20 0 DFADHO C[C@H](c1ccccc1)N1CC[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422738369 296323966 /nfs/dbraw/zinc/32/39/66/296323966.db2.gz JOUZQFDAHHQXDH-RWQQGDIJSA-N 1 3 301.478 2.800 20 0 DFADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000422738250 296324193 /nfs/dbraw/zinc/32/41/93/296324193.db2.gz JHQXRVVPMJVKCY-GUDVDZBRSA-N 1 3 301.478 2.901 20 0 DFADHO CC1CCN([C@H](CN[C@H]2CCC[C@H]2[NH3+])c2ccccc2)CC1 ZINC000422745457 296325315 /nfs/dbraw/zinc/32/53/15/296325315.db2.gz XTORXNAOPKOAJT-CEXWTWQISA-N 1 3 301.478 2.929 20 0 DFADHO Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000422750010 296326196 /nfs/dbraw/zinc/32/61/96/296326196.db2.gz BVWDHTIVKDCZKS-HOTGVXAUSA-N 1 3 300.450 2.842 20 0 DFADHO Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422750009 296326267 /nfs/dbraw/zinc/32/62/67/296326267.db2.gz BVWDHTIVKDCZKS-CVEARBPZSA-N 1 3 300.450 2.842 20 0 DFADHO C[C@H](Cc1cccc(Br)c1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000422751273 296326420 /nfs/dbraw/zinc/32/64/20/296326420.db2.gz BCTKDWITYRVULW-BZPMIXESSA-N 1 3 311.267 2.968 20 0 DFADHO COC(=O)c1csc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC000602562721 399476616 /nfs/dbraw/zinc/47/66/16/399476616.db2.gz VZRXQTLQIJQRMX-AGUYFDCRSA-N 1 3 308.447 2.640 20 0 DFADHO COc1cccc([C@H](CN[C@H](C)C[C@H](C)[NH3+])N2CCCC2)c1 ZINC000422754338 296327392 /nfs/dbraw/zinc/32/73/92/296327392.db2.gz GVWSXQPOAKWYCF-DAYGRLMNSA-N 1 3 305.466 2.548 20 0 DFADHO COc1cccc([C@H](CN[C@@H](C)C[C@H](C)[NH3+])N2CCCC2)c1 ZINC000422754339 296327468 /nfs/dbraw/zinc/32/74/68/296327468.db2.gz GVWSXQPOAKWYCF-MPGHIAIKSA-N 1 3 305.466 2.548 20 0 DFADHO CCN1CCC[C@@H]1CN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422752844 296326880 /nfs/dbraw/zinc/32/68/80/296326880.db2.gz HOQUYZGXWJLHBZ-NEWSRXKRSA-N 1 3 317.477 2.562 20 0 DFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCN(C)Cc1ccccc1 ZINC000422759290 296328126 /nfs/dbraw/zinc/32/81/26/296328126.db2.gz LBDCOSFQLFFQBU-FXAWDEMLSA-N 1 3 311.473 2.667 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCN(C)Cc1ccccc1 ZINC000422759290 296328128 /nfs/dbraw/zinc/32/81/28/296328128.db2.gz LBDCOSFQLFFQBU-FXAWDEMLSA-N 1 3 311.473 2.667 20 0 DFADHO Fc1ccc(C2(C[NH2+][C@H]3CCCNCC3)CCOCC2)cc1 ZINC000422762839 296328892 /nfs/dbraw/zinc/32/88/92/296328892.db2.gz ONBFUBFTABSKGQ-KRWDZBQOSA-N 1 3 306.425 2.606 20 0 DFADHO Fc1ccc(C2(CN[C@H]3CCC[NH2+]CC3)CCOCC2)cc1 ZINC000422762839 296328893 /nfs/dbraw/zinc/32/88/93/296328893.db2.gz ONBFUBFTABSKGQ-KRWDZBQOSA-N 1 3 306.425 2.606 20 0 DFADHO CC(C)(C)C[C@H](O)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422767054 296329706 /nfs/dbraw/zinc/32/97/06/296329706.db2.gz SDTWHBUCESZYIV-URLQWDBASA-N 1 3 318.461 2.629 20 0 DFADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000422771650 296330165 /nfs/dbraw/zinc/33/01/65/296330165.db2.gz XPIZXRXQIRKQDZ-VNTMZGSJSA-N 1 3 316.489 2.738 20 0 DFADHO Clc1ccccc1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422775679 296330979 /nfs/dbraw/zinc/33/09/79/296330979.db2.gz BCWCBAUWOMVAAT-HYVNUMGLSA-N 1 3 308.853 2.629 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000422775242 296331010 /nfs/dbraw/zinc/33/10/10/296331010.db2.gz AURSVGJZBCBZHC-RHSMWYFYSA-N 1 3 313.445 2.666 20 0 DFADHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)[C@H]1CCCCO1 ZINC000623879535 399485925 /nfs/dbraw/zinc/48/59/25/399485925.db2.gz JLKBQFOAEBMZNN-NVXWUHKLSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](CCO)c1ccccc1 ZINC000422775591 296331170 /nfs/dbraw/zinc/33/11/70/296331170.db2.gz BYRTZMDBTFJQCF-VDGAXYAQSA-N 1 3 312.457 2.701 20 0 DFADHO C[C@@H](NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422776512 296331219 /nfs/dbraw/zinc/33/12/19/296331219.db2.gz CTKXVWOWMXOVQS-NZSAHSFTSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@@H](CCCC[NH3+])N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422777602 296331571 /nfs/dbraw/zinc/33/15/71/296331571.db2.gz FVIHQVVUGQKUNF-DZGCQCFKSA-N 1 3 323.868 2.943 20 0 DFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Cc1cccs1 ZINC000422786607 296332516 /nfs/dbraw/zinc/33/25/16/296332516.db2.gz SVFAQBVHWNPXSJ-QMCVQRASSA-N 1 3 308.491 2.673 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCNc1ncc(Cl)cc1Cl ZINC000422789594 296333157 /nfs/dbraw/zinc/33/31/57/296333157.db2.gz UKCVWBVERNZZCE-GXFFZTMASA-N 1 3 317.264 2.907 20 0 DFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422789594 296333159 /nfs/dbraw/zinc/33/31/59/296333159.db2.gz UKCVWBVERNZZCE-GXFFZTMASA-N 1 3 317.264 2.907 20 0 DFADHO CN(C)C1(C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)CCCC1 ZINC000422791817 296333658 /nfs/dbraw/zinc/33/36/58/296333658.db2.gz VGKLCVATVKCALZ-MSOLQXFVSA-N 1 3 301.478 2.944 20 0 DFADHO OCC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422792034 296333765 /nfs/dbraw/zinc/33/37/65/296333765.db2.gz WRTWPUABCZSJOV-NCXUSEDFSA-N 1 3 302.462 2.663 20 0 DFADHO CN(C)CCOc1cccc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623949519 399501090 /nfs/dbraw/zinc/50/10/90/399501090.db2.gz UROGEDSHXPRCLI-MRXNPFEDSA-N 1 3 305.466 2.912 20 0 DFADHO CN(C)CCOc1cccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623949519 399501093 /nfs/dbraw/zinc/50/10/93/399501093.db2.gz UROGEDSHXPRCLI-MRXNPFEDSA-N 1 3 305.466 2.912 20 0 DFADHO CO[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422795433 296334595 /nfs/dbraw/zinc/33/45/95/296334595.db2.gz VOILQYITEMMRJQ-ISARSNTHSA-N 1 3 316.445 2.790 20 0 DFADHO CC(C)[C@@H](N)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000269250140 207387829 /nfs/dbraw/zinc/38/78/29/207387829.db2.gz OUXLWWSWBWSTOL-QGZVFWFLSA-N 1 3 303.450 2.984 20 0 DFADHO CCN(CC)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422798728 296335333 /nfs/dbraw/zinc/33/53/33/296335333.db2.gz SNRNFOCBMQLADV-ZYSHUDEJSA-N 1 3 319.493 2.808 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000422805783 296336378 /nfs/dbraw/zinc/33/63/78/296336378.db2.gz JOABGHQIIZPPIG-HKUYNNGSSA-N 1 3 301.478 2.542 20 0 DFADHO CC[C@@H](CN[C@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422805819 296336449 /nfs/dbraw/zinc/33/64/49/296336449.db2.gz JQUSAWRZWHSDMF-OALUTQOASA-N 1 3 301.478 2.555 20 0 DFADHO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1CN)c1ccc2c(c1)OCO2 ZINC000422808117 296337019 /nfs/dbraw/zinc/33/70/19/296337019.db2.gz AJGSYEZSWZZRHY-HIFRSBDPSA-N 1 3 304.434 2.800 20 0 DFADHO C[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)c1cnccc1N ZINC000422810040 296337206 /nfs/dbraw/zinc/33/72/06/296337206.db2.gz QWFMRCTXMLUUIT-OAHLLOKOSA-N 1 3 310.445 2.593 20 0 DFADHO C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)c1cnccc1N ZINC000422810040 296337207 /nfs/dbraw/zinc/33/72/07/296337207.db2.gz QWFMRCTXMLUUIT-OAHLLOKOSA-N 1 3 310.445 2.593 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCc2ccccc2C1)c1cnccc1N ZINC000422810040 296337208 /nfs/dbraw/zinc/33/72/08/296337208.db2.gz QWFMRCTXMLUUIT-OAHLLOKOSA-N 1 3 310.445 2.593 20 0 DFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000422813188 296337826 /nfs/dbraw/zinc/33/78/26/296337826.db2.gz XRUJQFHZDJZWEV-MOPGFXCFSA-N 1 3 301.478 2.684 20 0 DFADHO N[C@H]1CCCCC[C@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000422813192 296337873 /nfs/dbraw/zinc/33/78/73/296337873.db2.gz XRUJQFHZDJZWEV-RBUKOAKNSA-N 1 3 301.478 2.684 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCN1CCc2ccccc21 ZINC000422812036 296337568 /nfs/dbraw/zinc/33/75/68/296337568.db2.gz WYOWMXLUPMVGRP-HNNXBMFYSA-N 1 3 324.472 2.952 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(COCC(F)(F)F)cc1 ZINC000422811594 296337664 /nfs/dbraw/zinc/33/76/64/296337664.db2.gz PKGRTHOIAGVSSQ-RYUDHWBXSA-N 1 3 304.356 2.981 20 0 DFADHO C[C@@H]1CCNC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422818246 296338683 /nfs/dbraw/zinc/33/86/83/296338683.db2.gz FTUSUQBPTZIDRC-IUODEOHRSA-N 1 3 316.367 2.853 20 0 DFADHO C[C@H](NCCC1CCN(CC(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000422817736 296338739 /nfs/dbraw/zinc/33/87/39/296338739.db2.gz IDSXOGLIBYEXIP-DZGCQCFKSA-N 1 3 321.431 2.771 20 0 DFADHO Cc1ccc([C@H](CN[C@H](C)[C@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000422826670 296339953 /nfs/dbraw/zinc/33/99/53/296339953.db2.gz LRUZYFCXLFENGC-NEWSRXKRSA-N 1 3 301.478 2.720 20 0 DFADHO CC[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCN1 ZINC000422820750 296339352 /nfs/dbraw/zinc/33/93/52/296339352.db2.gz SCVXRVTYISSXLW-CABCVRRESA-N 1 3 321.431 2.771 20 0 DFADHO CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)cc1 ZINC000422839836 296342277 /nfs/dbraw/zinc/34/22/77/296342277.db2.gz RNKSACULEZRMGU-JCGIZDLHSA-N 1 3 304.478 2.869 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422832342 296341343 /nfs/dbraw/zinc/34/13/43/296341343.db2.gz FUFQJEXJZGBPKR-KMFMINBZSA-N 1 3 307.869 2.896 20 0 DFADHO C[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422833298 296341433 /nfs/dbraw/zinc/34/14/33/296341433.db2.gz MHHPGCXAJBCADQ-NZSAHSFTSA-N 1 3 301.478 2.771 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422832344 296341586 /nfs/dbraw/zinc/34/15/86/296341586.db2.gz FUFQJEXJZGBPKR-UNEWFSDZSA-N 1 3 307.869 2.896 20 0 DFADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422841295 296342869 /nfs/dbraw/zinc/34/28/69/296342869.db2.gz VOKLGYNWZWRPFU-BFYDXBDKSA-N 1 3 307.507 2.548 20 0 DFADHO COc1ccccc1N1CC[C@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422853307 296345205 /nfs/dbraw/zinc/34/52/05/296345205.db2.gz RXRSKQPKNHGYEB-BBWFWOEESA-N 1 3 317.477 2.642 20 0 DFADHO C[C@@H]1CCCCN1CC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000422862933 296346703 /nfs/dbraw/zinc/34/67/03/296346703.db2.gz OFQDEEGBKVUJSI-NZSAHSFTSA-N 1 3 301.478 2.944 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000422864189 296346792 /nfs/dbraw/zinc/34/67/92/296346792.db2.gz ULXFGYCXUDFYTQ-RDJZCZTQSA-N 1 3 310.445 2.778 20 0 DFADHO C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000422862931 296346820 /nfs/dbraw/zinc/34/68/20/296346820.db2.gz OFQDEEGBKVUJSI-BHIYHBOVSA-N 1 3 301.478 2.944 20 0 DFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000422865550 296347018 /nfs/dbraw/zinc/34/70/18/296347018.db2.gz YMNFWCDNVMJKJL-IEZWGBDMSA-N 1 3 301.478 2.551 20 0 DFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(c2ccccn2)CC1 ZINC000422866820 296347040 /nfs/dbraw/zinc/34/70/40/296347040.db2.gz QZKAQDMCVIPKDK-QFBILLFUSA-N 1 3 324.472 2.599 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000422859637 296346054 /nfs/dbraw/zinc/34/60/54/296346054.db2.gz KOCYLIPBYKPGCT-CHWSQXEVSA-N 1 3 309.841 2.565 20 0 DFADHO FC(F)(F)CN1CCC(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422859354 296346157 /nfs/dbraw/zinc/34/61/57/296346157.db2.gz JZQUKPYBTBJOPN-RRFJBIMHSA-N 1 3 319.415 2.523 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422871238 296348076 /nfs/dbraw/zinc/34/80/76/296348076.db2.gz YLQLBTPOQZUZPL-XJKCOSOUSA-N 1 3 309.404 2.521 20 0 DFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)N1CCC[C@@H](C)C1 ZINC000422870835 296347681 /nfs/dbraw/zinc/34/76/81/296347681.db2.gz ZHUYIRWASDKCLQ-MTNOOBJLSA-N 1 3 303.494 2.655 20 0 DFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2N)CN1Cc1ccccc1 ZINC000422873377 296348473 /nfs/dbraw/zinc/34/84/73/296348473.db2.gz LEEOQSKOFYSKBH-QXCFHYIPSA-N 1 3 301.478 2.899 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])CN1Cc1ccccc1 ZINC000422873377 296348474 /nfs/dbraw/zinc/34/84/74/296348474.db2.gz LEEOQSKOFYSKBH-QXCFHYIPSA-N 1 3 301.478 2.899 20 0 DFADHO CCN(CCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000422874769 296348883 /nfs/dbraw/zinc/34/88/83/296348883.db2.gz BBGCMODYNUBBAU-OALUTQOASA-N 1 3 317.477 2.562 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000422878303 296349010 /nfs/dbraw/zinc/34/90/10/296349010.db2.gz SQDPVITZCJRODI-QGZVFWFLSA-N 1 3 309.498 2.713 20 0 DFADHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@H](N)CC2CCCCC2)cc1 ZINC000422883996 296350254 /nfs/dbraw/zinc/35/02/54/296350254.db2.gz DKEHKSKLSZNVNN-SUMWQHHRSA-N 1 3 303.450 2.620 20 0 DFADHO COc1ccc(CCN[C@@H](C)C[C@H](C)[NH3+])cc1OC(F)F ZINC000422879835 296349468 /nfs/dbraw/zinc/34/94/68/296349468.db2.gz MVDVJELSODFMHQ-QWRGUYRKSA-N 1 3 302.365 2.555 20 0 DFADHO COc1ccc(CC[NH2+][C@@H](C)C[C@H](C)N)cc1OC(F)F ZINC000422879835 296349469 /nfs/dbraw/zinc/34/94/69/296349469.db2.gz MVDVJELSODFMHQ-QWRGUYRKSA-N 1 3 302.365 2.555 20 0 DFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(N2CCCCC2)nc1 ZINC000422878958 296349492 /nfs/dbraw/zinc/34/94/92/296349492.db2.gz LNKKQWBNFHYSHD-IAGOWNOFSA-N 1 3 302.466 2.679 20 0 DFADHO CC1CCN(c2ccc(CN[C@H]3CCC[C@H]3C[NH3+])cn2)CC1 ZINC000422886953 296351002 /nfs/dbraw/zinc/35/10/02/296351002.db2.gz AENJUKGZJKSHJP-IRXDYDNUSA-N 1 3 302.466 2.535 20 0 DFADHO COc1cc(OC)c(CCN[C@@H]2CCCCC[C@@H]2[NH3+])c(OC)c1 ZINC000422886827 296350839 /nfs/dbraw/zinc/35/08/39/296350839.db2.gz JSRPFHXQGXGBPM-JKSUJKDBSA-N 1 3 322.449 2.505 20 0 DFADHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000422886696 296350841 /nfs/dbraw/zinc/35/08/41/296350841.db2.gz JPABPGYNBOCSMI-RDTXWAMCSA-N 1 3 312.461 2.967 20 0 DFADHO Cc1nccn1-c1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000422899838 296352706 /nfs/dbraw/zinc/35/27/06/296352706.db2.gz IHECPJKQUJLGSC-ZBFHGGJFSA-N 1 3 302.397 2.537 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccnc(N2CCCCC2)c1 ZINC000422900195 296352871 /nfs/dbraw/zinc/35/28/71/296352871.db2.gz QBONPZYGMNYKEW-IRXDYDNUSA-N 1 3 302.466 2.679 20 0 DFADHO C[C@H](NC[C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422902668 296353435 /nfs/dbraw/zinc/35/34/35/296353435.db2.gz UXUMDLNGNJFPSF-DAYGRLMNSA-N 1 3 305.441 2.772 20 0 DFADHO CC[C@@H](NCc1ccc(OCCN(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422896410 296352274 /nfs/dbraw/zinc/35/22/74/296352274.db2.gz IDZTUHWSRTVDLO-RTBURBONSA-N 1 3 319.493 2.637 20 0 DFADHO C[C@@H](NCC1(c2ccc3c(c2)OCO3)CCCCC1)C1C[NH2+]C1 ZINC000422905475 296354147 /nfs/dbraw/zinc/35/41/47/296354147.db2.gz ZDMNLRGHJYDQCN-CQSZACIVSA-N 1 3 316.445 2.815 20 0 DFADHO C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1)C1CNC1 ZINC000422905475 296354148 /nfs/dbraw/zinc/35/41/48/296354148.db2.gz ZDMNLRGHJYDQCN-CQSZACIVSA-N 1 3 316.445 2.815 20 0 DFADHO CC[C@@H](NC1CCC(C[NH3+])CC1)c1nnc2n1CCCCC2 ZINC000422907243 296354197 /nfs/dbraw/zinc/35/41/97/296354197.db2.gz LFBUAYDEEHHQLC-YMAMQOFZSA-N 1 3 305.470 2.563 20 0 DFADHO CC(C)C(=O)Nc1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000119823282 195043772 /nfs/dbraw/zinc/04/37/72/195043772.db2.gz GRNTZCUAKWSGDV-PBHICJAKSA-N 1 3 303.450 2.711 20 0 DFADHO CC(C)C(=O)Nc1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000119823282 195043776 /nfs/dbraw/zinc/04/37/76/195043776.db2.gz GRNTZCUAKWSGDV-PBHICJAKSA-N 1 3 303.450 2.711 20 0 DFADHO CCc1cccc2c(CC[NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)c[nH]c21 ZINC000422915177 296355421 /nfs/dbraw/zinc/35/54/21/296355421.db2.gz XLXFQNPAMBYMJD-DOPJRALCSA-N 1 3 315.461 2.615 20 0 DFADHO N[C@H]1CCC[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422917742 296355650 /nfs/dbraw/zinc/35/56/50/296355650.db2.gz GSCNJXYQOKQZJS-WDEREUQCSA-N 1 3 323.746 2.602 20 0 DFADHO CCc1cccc2c(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)c[nH]c21 ZINC000422915178 296355188 /nfs/dbraw/zinc/35/51/88/296355188.db2.gz XLXFQNPAMBYMJD-FSPWUOQZSA-N 1 3 315.461 2.615 20 0 DFADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422930609 296356728 /nfs/dbraw/zinc/35/67/28/296356728.db2.gz VFYUKLUQBMFNKE-DGCLKSJQSA-N 1 3 320.355 2.990 20 0 DFADHO [NH3+][C@H]1CCC[C@H]1NCCc1ccc(F)c(Br)c1 ZINC000422931307 296356823 /nfs/dbraw/zinc/35/68/23/296356823.db2.gz BMAUVIKAEWIBAL-QWHCGFSZSA-N 1 3 301.203 2.600 20 0 DFADHO CCN1CCN(c2ccccc2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422922815 296356261 /nfs/dbraw/zinc/35/62/61/296356261.db2.gz QRXRHEBITRBZPX-SJPCQFCGSA-N 1 3 314.477 2.523 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422928057 296356440 /nfs/dbraw/zinc/35/64/40/296356440.db2.gz IQOYTTXPIIPGKU-ROUUACIJSA-N 1 3 315.461 2.530 20 0 DFADHO c1cc2c(cc1[C@@H](N[C@@H]1CCC[NH2+]CC1)C1CC1)OCCO2 ZINC000422938572 296358279 /nfs/dbraw/zinc/35/82/79/296358279.db2.gz HEZRGCYVTDVYFR-QAPCUYQASA-N 1 3 302.418 2.641 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ccc(F)cc1 ZINC000422936044 296357453 /nfs/dbraw/zinc/35/74/53/296357453.db2.gz HTUDLOPAJOYOAJ-GFCCVEGCSA-N 1 3 303.381 2.717 20 0 DFADHO C[C@H](NCCc1ccc(F)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000422935952 296357619 /nfs/dbraw/zinc/35/76/19/296357619.db2.gz LJFGUUQMXJMYLF-CMPLNLGQSA-N 1 3 315.230 2.718 20 0 DFADHO CC[C@@H]([NH2+]CCOc1cccc(NC(C)=O)c1)[C@@H]1CCCCN1 ZINC000422936808 296357858 /nfs/dbraw/zinc/35/78/58/296357858.db2.gz BYWDVUJQANOGSJ-MSOLQXFVSA-N 1 3 319.449 2.534 20 0 DFADHO CC(C)[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422947738 296359468 /nfs/dbraw/zinc/35/94/68/296359468.db2.gz YSJOBVSAFFPOLF-NSISKUIASA-N 1 3 315.505 2.799 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(OC2CCCC2)cc1 ZINC000422948505 296359605 /nfs/dbraw/zinc/35/96/05/296359605.db2.gz SBAYLJVGUTXGAO-JVPBZIDWSA-N 1 3 318.461 2.850 20 0 DFADHO CC[C@](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000602695861 399524651 /nfs/dbraw/zinc/52/46/51/399524651.db2.gz PSJDZTZAPDRRLQ-KVSKMBFKSA-N 1 3 318.461 2.580 20 0 DFADHO CC[C@](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000602695861 399524653 /nfs/dbraw/zinc/52/46/53/399524653.db2.gz PSJDZTZAPDRRLQ-KVSKMBFKSA-N 1 3 318.461 2.580 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCNC(=O)c1cccs1 ZINC000422954320 296360201 /nfs/dbraw/zinc/36/02/01/296360201.db2.gz IBSLRQXWGPSEPE-CABCVRRESA-N 1 3 323.506 2.768 20 0 DFADHO Cc1csc([C@@H](C)NCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000624009901 399521900 /nfs/dbraw/zinc/52/19/00/399521900.db2.gz DELZYGISYFGXRU-CQSZACIVSA-N 1 3 323.506 2.993 20 0 DFADHO C[C@H]([NH3+])C[C@H](C)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422955388 296360564 /nfs/dbraw/zinc/36/05/64/296360564.db2.gz JDTYXXWFMYBYRD-QWRGUYRKSA-N 1 3 308.813 2.648 20 0 DFADHO CC[C@H](C[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1)N1CCCC1 ZINC000422961366 296361257 /nfs/dbraw/zinc/36/12/57/296361257.db2.gz BLUNGACYFYDSOG-GUDVDZBRSA-N 1 3 301.478 2.944 20 0 DFADHO Cc1noc(C)c1[C@H](C)CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422962028 296361288 /nfs/dbraw/zinc/36/12/88/296361288.db2.gz BRUPZQMFVGSTOH-XNJGSVPQSA-N 1 3 301.434 2.943 20 0 DFADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000422963709 296361661 /nfs/dbraw/zinc/36/16/61/296361661.db2.gz GOLZBFHCEDNJQD-AYBZRNKSSA-N 1 3 316.493 2.714 20 0 DFADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000422963712 296361736 /nfs/dbraw/zinc/36/17/36/296361736.db2.gz GOLZBFHCEDNJQD-SZVBFZGTSA-N 1 3 316.493 2.714 20 0 DFADHO [NH3+]C1CCC(Nc2cccc(CN3CCSCC3)c2)CC1 ZINC000422957966 296361156 /nfs/dbraw/zinc/36/11/56/296361156.db2.gz WIGVZLIXSQJGRB-UHFFFAOYSA-N 1 3 305.491 2.917 20 0 DFADHO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)[C@H]1CCCCN1 ZINC000422970727 296363128 /nfs/dbraw/zinc/36/31/28/296363128.db2.gz WTTRWQPFFIZOHE-GPMSIDNRSA-N 1 3 316.493 2.727 20 0 DFADHO C[C@@H](NC1CCN([C@H](C)c2ccncc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422970727 296363129 /nfs/dbraw/zinc/36/31/29/296363129.db2.gz WTTRWQPFFIZOHE-GPMSIDNRSA-N 1 3 316.493 2.727 20 0 DFADHO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000422966371 296362216 /nfs/dbraw/zinc/36/22/16/296362216.db2.gz RETBRRYXPKTELM-QFBILLFUSA-N 1 3 312.461 2.830 20 0 DFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C)[C@@H](O)Cc1ccccc1 ZINC000422996699 296365289 /nfs/dbraw/zinc/36/52/89/296365289.db2.gz MVTAKJORLJHNPC-FPAYPSAMSA-N 1 3 304.478 2.879 20 0 DFADHO C[C@H](NCc1ccccc1CN(C)Cc1ccco1)C1C[NH2+]C1 ZINC000423011103 296367288 /nfs/dbraw/zinc/36/72/88/296367288.db2.gz YZXIKVQUQPDJOY-HNNXBMFYSA-N 1 3 313.445 2.609 20 0 DFADHO Cc1cn2c(n1)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CCC2 ZINC000423006142 296366566 /nfs/dbraw/zinc/36/65/66/296366566.db2.gz OGAYEJHMJREWMR-WNRNVDISSA-N 1 3 316.493 2.969 20 0 DFADHO N[C@H]1CCCCC[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423011023 296367417 /nfs/dbraw/zinc/36/74/17/296367417.db2.gz HYZYTELAACUQQG-RYUDHWBXSA-N 1 3 317.355 2.729 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@@H](C)CCC[NH3+])c2)CC1 ZINC000423023640 296368998 /nfs/dbraw/zinc/36/89/98/296368998.db2.gz HVBSIVTWJLISBO-INIZCTEOSA-N 1 3 304.482 2.756 20 0 DFADHO Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000423021998 296368711 /nfs/dbraw/zinc/36/87/11/296368711.db2.gz DINVRLWNXWIQIC-IPMKNSEASA-N 1 3 317.477 2.626 20 0 DFADHO Fc1ccc(N2CC[C@H](N[C@H]3CCC[NH2+]CC3)C2)cc1Cl ZINC000423037852 296370659 /nfs/dbraw/zinc/37/06/59/296370659.db2.gz CGMPXKUZEAXDAS-STQMWFEESA-N 1 3 311.832 2.790 20 0 DFADHO CCC(CC)[C@@H]1C[C@H](N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCO1 ZINC000423040163 296370897 /nfs/dbraw/zinc/37/08/97/296370897.db2.gz GSJRWLLOGBCAQA-ZRSRNVLSSA-N 1 3 324.509 2.717 20 0 DFADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423046014 296371683 /nfs/dbraw/zinc/37/16/83/296371683.db2.gz DTTRQEDXZMZAFN-OCCSQVGLSA-N 1 3 308.223 2.900 20 0 DFADHO C[C@H](N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C)[C@H]1CC[NH2+]C1 ZINC000423053373 296372390 /nfs/dbraw/zinc/37/23/90/296372390.db2.gz RUMLZZJADGGSJW-DZJNRPSUSA-N 1 3 302.462 2.958 20 0 DFADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])OC(C)C ZINC000423053414 296372428 /nfs/dbraw/zinc/37/24/28/296372428.db2.gz RZPXXQSBPWJHIF-KYJSFNMBSA-N 1 3 306.450 2.878 20 0 DFADHO Cc1ccccc1C[C@H](CO)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423056139 296372725 /nfs/dbraw/zinc/37/27/25/296372725.db2.gz FDMPPQSVWZWFBQ-QXAKKESOSA-N 1 3 304.478 2.799 20 0 DFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000423061454 296373504 /nfs/dbraw/zinc/37/35/04/296373504.db2.gz QRTKWRCJVAGRKC-KSSFIOAISA-N 1 3 321.896 2.805 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423061454 296373506 /nfs/dbraw/zinc/37/35/06/296373506.db2.gz QRTKWRCJVAGRKC-KSSFIOAISA-N 1 3 321.896 2.805 20 0 DFADHO CC[NH+]1CCC(N[C@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000159281725 197342254 /nfs/dbraw/zinc/34/22/54/197342254.db2.gz JXNCKPMTKWYFJK-OAHLLOKOSA-N 1 3 306.450 2.847 20 0 DFADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000423064871 296373991 /nfs/dbraw/zinc/37/39/91/296373991.db2.gz SHMVDDHGECCJTF-NEWSRXKRSA-N 1 3 301.478 2.629 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000423064871 296373992 /nfs/dbraw/zinc/37/39/92/296373992.db2.gz SHMVDDHGECCJTF-NEWSRXKRSA-N 1 3 301.478 2.629 20 0 DFADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000159197757 197334983 /nfs/dbraw/zinc/33/49/83/197334983.db2.gz QPFWESUKXNCVRH-HNNXBMFYSA-N 1 3 306.450 2.847 20 0 DFADHO CC[C@@H]([NH2+]CCN(CC)CCC(F)(F)F)[C@@H]1CCCCN1 ZINC000423070202 296374864 /nfs/dbraw/zinc/37/48/64/296374864.db2.gz FSNROUOBVVNJIX-KGLIPLIRSA-N 1 3 309.420 2.771 20 0 DFADHO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnccc1N ZINC000423086751 296376687 /nfs/dbraw/zinc/37/66/87/296376687.db2.gz NYGKZMXBLKMSQB-NVXWUHKLSA-N 1 3 310.445 2.667 20 0 DFADHO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnccc1N ZINC000423086751 296376688 /nfs/dbraw/zinc/37/66/88/296376688.db2.gz NYGKZMXBLKMSQB-NVXWUHKLSA-N 1 3 310.445 2.667 20 0 DFADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cnccc1N ZINC000423086751 296376690 /nfs/dbraw/zinc/37/66/90/296376690.db2.gz NYGKZMXBLKMSQB-NVXWUHKLSA-N 1 3 310.445 2.667 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423091314 296377216 /nfs/dbraw/zinc/37/72/16/296377216.db2.gz ZWHQEIFKDRZZSH-APWZRJJASA-N 1 3 301.478 2.881 20 0 DFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@](C)(O)C1CCCCC1 ZINC000423082995 296376442 /nfs/dbraw/zinc/37/64/42/296376442.db2.gz XZJIRSOCOCPKAJ-ZYSHUDEJSA-N 1 3 304.478 2.866 20 0 DFADHO COc1ccc(OCCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000158779771 197300706 /nfs/dbraw/zinc/30/07/06/197300706.db2.gz QOOKXQYMRZFHIO-LPHOPBHVSA-N 1 3 318.461 2.880 20 0 DFADHO COc1ccc(OCCCN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000158779771 197300708 /nfs/dbraw/zinc/30/07/08/197300708.db2.gz QOOKXQYMRZFHIO-LPHOPBHVSA-N 1 3 318.461 2.880 20 0 DFADHO COc1ccc(OCCC[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000158779771 197300710 /nfs/dbraw/zinc/30/07/10/197300710.db2.gz QOOKXQYMRZFHIO-LPHOPBHVSA-N 1 3 318.461 2.880 20 0 DFADHO COc1ccc(OCCC[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000158779771 197300712 /nfs/dbraw/zinc/30/07/12/197300712.db2.gz QOOKXQYMRZFHIO-LPHOPBHVSA-N 1 3 318.461 2.880 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423092475 296377495 /nfs/dbraw/zinc/37/74/95/296377495.db2.gz BZKHGYQLDZFMEU-TWTQLAGVSA-N 1 3 306.425 2.804 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423092045 296377509 /nfs/dbraw/zinc/37/75/09/296377509.db2.gz AGJPSZLQVHIASG-PPIXQQLYSA-N 1 3 306.425 2.804 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423092044 296377643 /nfs/dbraw/zinc/37/76/43/296377643.db2.gz AGJPSZLQVHIASG-JFRPJSFFSA-N 1 3 306.425 2.804 20 0 DFADHO COCCCOc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000423099976 296378381 /nfs/dbraw/zinc/37/83/81/296378381.db2.gz GAYBOIPHENKINQ-QZTJIDSGSA-N 1 3 306.450 2.852 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC(Cc2ccccc2CO)CC1 ZINC000347692519 285133355 /nfs/dbraw/zinc/13/33/55/285133355.db2.gz XFAZKOVHTUHWBI-FQEVSTJZSA-N 1 3 316.489 2.918 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC(Cc2ccccc2CO)CC1 ZINC000347692519 285133359 /nfs/dbraw/zinc/13/33/59/285133359.db2.gz XFAZKOVHTUHWBI-FQEVSTJZSA-N 1 3 316.489 2.918 20 0 DFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423111358 296379645 /nfs/dbraw/zinc/37/96/45/296379645.db2.gz IXHZHEFQMJAKLG-ULFGMLNVSA-N 1 3 319.424 2.582 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCCc1c[nH]c2ccc(F)cc12 ZINC000423111358 296379647 /nfs/dbraw/zinc/37/96/47/296379647.db2.gz IXHZHEFQMJAKLG-ULFGMLNVSA-N 1 3 319.424 2.582 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121626 399561024 /nfs/dbraw/zinc/56/10/24/399561024.db2.gz ZCCQZLYNLLSNEA-SJORKVTESA-N 1 3 317.477 2.750 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121626 399561029 /nfs/dbraw/zinc/56/10/29/399561029.db2.gz ZCCQZLYNLLSNEA-SJORKVTESA-N 1 3 317.477 2.750 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121626 399561037 /nfs/dbraw/zinc/56/10/37/399561037.db2.gz ZCCQZLYNLLSNEA-SJORKVTESA-N 1 3 317.477 2.750 20 0 DFADHO CC(C)Cc1ccc([C@H](CN[C@H](C)C2C[NH2+]C2)N(C)C)cc1 ZINC000423118509 296380805 /nfs/dbraw/zinc/38/08/05/296380805.db2.gz AXKAZMPLHBZCAL-BEFAXECRSA-N 1 3 303.494 2.685 20 0 DFADHO CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000423124930 296381444 /nfs/dbraw/zinc/38/14/44/296381444.db2.gz NAJALRNDODCFMB-KURKYZTESA-N 1 3 305.466 2.546 20 0 DFADHO CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2N)N(C)C)cc1 ZINC000423124930 296381445 /nfs/dbraw/zinc/38/14/45/296381445.db2.gz NAJALRNDODCFMB-KURKYZTESA-N 1 3 305.466 2.546 20 0 DFADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423128570 296381855 /nfs/dbraw/zinc/38/18/55/296381855.db2.gz LCFRSDXXZCVPDS-GPFWEFOESA-N 1 3 318.436 2.818 20 0 DFADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1cnc(SC2CCCC2)nc1 ZINC000423137279 296383216 /nfs/dbraw/zinc/38/32/16/296383216.db2.gz QNIXLYXPJKHOOB-CHWSQXEVSA-N 1 3 308.495 2.769 20 0 DFADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423137279 296383217 /nfs/dbraw/zinc/38/32/17/296383217.db2.gz QNIXLYXPJKHOOB-CHWSQXEVSA-N 1 3 308.495 2.769 20 0 DFADHO COCCOCc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000423142019 296383798 /nfs/dbraw/zinc/38/37/98/296383798.db2.gz SYWUUGQNIITMIQ-MSOLQXFVSA-N 1 3 306.450 2.599 20 0 DFADHO CSc1ccc([C@@H](CN[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000423143151 296384124 /nfs/dbraw/zinc/38/41/24/296384124.db2.gz CLZRXAPKQXKWGO-DOTOQJQBSA-N 1 3 307.507 2.743 20 0 DFADHO C[C@H](NCc1ccn(C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000158495202 197278619 /nfs/dbraw/zinc/27/86/19/197278619.db2.gz NGCBTOHYPDMLMW-HNNXBMFYSA-N 1 3 301.434 2.816 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000423146676 296384825 /nfs/dbraw/zinc/38/48/25/296384825.db2.gz PYBPKVBHTHJHRV-KYTKNBDNSA-N 1 3 310.388 2.684 20 0 DFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000423152477 296385494 /nfs/dbraw/zinc/38/54/94/296385494.db2.gz FGFPGYCVHUYJFX-NHYWBVRUSA-N 1 3 300.805 2.836 20 0 DFADHO Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@H](N)c3ccccc32)cc1C ZINC000423157353 296386188 /nfs/dbraw/zinc/38/61/88/296386188.db2.gz ANNTUHGEHZYZGO-LSTHTHJFSA-N 1 3 310.441 2.941 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000347753169 285159689 /nfs/dbraw/zinc/15/96/89/285159689.db2.gz OSFAATDYQSXXMM-QGZVFWFLSA-N 1 3 309.498 2.633 20 0 DFADHO COc1cccc2c1C[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423173661 296388226 /nfs/dbraw/zinc/38/82/26/296388226.db2.gz ZPHBRWMIPAHEOY-CYGHRXIMSA-N 1 3 300.446 2.673 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@](C)(O)c1ccccc1Cl ZINC000157559252 197197621 /nfs/dbraw/zinc/19/76/21/197197621.db2.gz LRWJQFVKDUXVDY-OQUILHJVSA-N 1 3 310.869 2.866 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@](C)(O)c1ccccc1Cl ZINC000157559252 197197623 /nfs/dbraw/zinc/19/76/23/197197623.db2.gz LRWJQFVKDUXVDY-OQUILHJVSA-N 1 3 310.869 2.866 20 0 DFADHO Fc1ccccc1[C@@H](NCCN1CC[NH2+]CC1)C1CCCC1 ZINC000423200474 296391814 /nfs/dbraw/zinc/39/18/14/296391814.db2.gz FTWLVSHAYHMMBD-SFHVURJKSA-N 1 3 305.441 2.552 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2c(F)cccc2F)CCC1 ZINC000423195689 296391119 /nfs/dbraw/zinc/39/11/19/296391119.db2.gz YBYSBDLPSKWRKN-ZENOOKHLSA-N 1 3 324.415 2.728 20 0 DFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423195689 296391120 /nfs/dbraw/zinc/39/11/20/296391120.db2.gz YBYSBDLPSKWRKN-ZENOOKHLSA-N 1 3 324.415 2.728 20 0 DFADHO C[C@H](Cc1cn(C)c2ccc(F)cc12)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423196311 296391189 /nfs/dbraw/zinc/39/11/89/296391189.db2.gz ZIINASUCNQLJKF-HZSPNIEDSA-N 1 3 303.425 2.836 20 0 DFADHO Cc1nn(C)c2sc([C@H](C)N[C@@H](C)[C@@H]3CCC[NH2+]C3)cc12 ZINC000423211436 296392671 /nfs/dbraw/zinc/39/26/71/296392671.db2.gz HJUFGJJMVFORAP-WCFLWFBJSA-N 1 3 306.479 2.982 20 0 DFADHO Cc1ccc(C)c([C@@H](NCCN2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423209779 296392857 /nfs/dbraw/zinc/39/28/57/296392857.db2.gz VPJPAQHESKJXCR-NRFANRHFSA-N 1 3 323.484 2.888 20 0 DFADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCCNC2)C[C@H]1OCc1ccccc1 ZINC000423213194 296392999 /nfs/dbraw/zinc/39/29/99/296392999.db2.gz MXVBJYCEHMEGOT-KZNAEPCWSA-N 1 3 302.462 2.960 20 0 DFADHO CC1(C)[C@H](NC[C@@H]2CCC[NH2+]C2)C[C@H]1OCc1ccccc1 ZINC000423213194 296393000 /nfs/dbraw/zinc/39/30/00/296393000.db2.gz MXVBJYCEHMEGOT-KZNAEPCWSA-N 1 3 302.462 2.960 20 0 DFADHO COc1ccc([C@H](C)NCC[C@@H](C)[NH3+])cc1Br ZINC000423222730 296394343 /nfs/dbraw/zinc/39/43/43/296394343.db2.gz CHBRVBNSKBGEKO-ZJUUUORDSA-N 1 3 301.228 2.846 20 0 DFADHO COC[C@H](NCC[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1F ZINC000423250905 296396946 /nfs/dbraw/zinc/39/69/46/296396946.db2.gz REYFAZOANBILKF-FZMZJTMJSA-N 1 3 300.805 2.756 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423263627 296398308 /nfs/dbraw/zinc/39/83/08/296398308.db2.gz BFFXPVPQXDTUED-INMHGKMJSA-N 1 3 303.450 2.535 20 0 DFADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423263627 296398309 /nfs/dbraw/zinc/39/83/09/296398309.db2.gz BFFXPVPQXDTUED-INMHGKMJSA-N 1 3 303.450 2.535 20 0 DFADHO Cn1cc([C@H](NCC[C@@H]2CCC[NH2+]C2)c2cccc(F)c2)cn1 ZINC000423256756 296397413 /nfs/dbraw/zinc/39/74/13/296397413.db2.gz FWBWMCSQBQCAML-KBXCAEBGSA-N 1 3 316.424 2.628 20 0 DFADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)NCC1([NH3+])CCOCC1 ZINC000629387993 399591049 /nfs/dbraw/zinc/59/10/49/399591049.db2.gz LTKPDTFBLGTNKO-GFCCVEGCSA-N 1 3 316.367 2.734 20 0 DFADHO C[C@H](CCc1ccc(Cl)s1)NCC1([NH3+])CCOCC1 ZINC000629388089 399591186 /nfs/dbraw/zinc/59/11/86/399591186.db2.gz MTVMRJUEZCQHIZ-LLVKDONJSA-N 1 3 302.871 2.820 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@H]2CN)c(C)c1OC ZINC000423271333 296399156 /nfs/dbraw/zinc/39/91/56/296399156.db2.gz IYJVGDOCFAJAMA-RCBQFDQVSA-N 1 3 306.450 2.660 20 0 DFADHO C[C@H](CC(=O)Nc1ccccc1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000423272102 296399250 /nfs/dbraw/zinc/39/92/50/296399250.db2.gz YKMCRGUWXCNGHJ-PBHICJAKSA-N 1 3 303.450 2.901 20 0 DFADHO COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2CN)cc1OC ZINC000423270278 296399277 /nfs/dbraw/zinc/39/92/77/296399277.db2.gz IAGDNKYWVCPEIL-SQWLQELKSA-N 1 3 306.450 2.660 20 0 DFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000423266891 296398566 /nfs/dbraw/zinc/39/85/66/296398566.db2.gz DWOTVROQHUMRDZ-YVWKXTFCSA-N 1 3 315.505 2.799 20 0 DFADHO CCC([NH3+])(CC)CN[C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000423282876 296400746 /nfs/dbraw/zinc/40/07/46/296400746.db2.gz DFIVHCQWHNSWGJ-HNNXBMFYSA-N 1 3 307.482 2.795 20 0 DFADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(-n3cnnn3)cc2)cc1 ZINC000423291777 296401722 /nfs/dbraw/zinc/40/17/22/296401722.db2.gz JUKRHAAADALSTE-KGLIPLIRSA-N 1 3 322.416 2.533 20 0 DFADHO CC[NH+]1CCC(N[C@@H](C)[C@H](OC)c2ccc(OC)cc2)CC1 ZINC000271655223 209099252 /nfs/dbraw/zinc/09/92/52/209099252.db2.gz CEWTWDVZUWOIAK-KSSFIOAISA-N 1 3 306.450 2.845 20 0 DFADHO CC1CC[NH+](CCCCNC(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000423326451 296404354 /nfs/dbraw/zinc/40/43/54/296404354.db2.gz KOAQNDXQHZMQOZ-GOSISDBHSA-N 1 3 323.525 2.912 20 0 DFADHO Brc1ccccc1C[C@@H](NC[C@H]1CC[NH2+]C1)C1CC1 ZINC000423330771 296405298 /nfs/dbraw/zinc/40/52/98/296405298.db2.gz GGUPFVQOKODLRY-BLLLJJGKSA-N 1 3 323.278 2.969 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1)c1ccsc1 ZINC000423332789 296405624 /nfs/dbraw/zinc/40/56/24/296405624.db2.gz RDGZLDIUMTYBOK-NUEKZKHPSA-N 1 3 323.506 2.635 20 0 DFADHO CC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000423403163 296412876 /nfs/dbraw/zinc/41/28/76/296412876.db2.gz YZPSOUFQIKZWTC-AAEUAGOBSA-N 1 3 321.412 2.625 20 0 DFADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000423450903 296417541 /nfs/dbraw/zinc/41/75/41/296417541.db2.gz XSYPCTSXZJXAHH-JCGIZDLHSA-N 1 3 310.445 2.911 20 0 DFADHO C[C@H](NCCC(=O)N1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347940094 285258667 /nfs/dbraw/zinc/25/86/67/285258667.db2.gz XENLFRSMQURWND-DLBZAZTESA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H](NCCC(=O)N1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347940094 285258668 /nfs/dbraw/zinc/25/86/68/285258668.db2.gz XENLFRSMQURWND-DLBZAZTESA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]([NH2+]CCC(=O)N1CCCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000347940094 285258670 /nfs/dbraw/zinc/25/86/70/285258670.db2.gz XENLFRSMQURWND-DLBZAZTESA-N 1 3 321.509 2.632 20 0 DFADHO COC[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)c(F)c1 ZINC000423547117 296428808 /nfs/dbraw/zinc/42/88/08/296428808.db2.gz PQYKIAOWDIRPDG-CFAJVAMVSA-N 1 3 310.388 2.630 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCc2ccc(F)c(CN(C)C)c2)[C@H](C)C1 ZINC000120874412 195255727 /nfs/dbraw/zinc/25/57/27/195255727.db2.gz QKSARTSJDZSVRB-RDTXWAMCSA-N 1 3 307.457 2.707 20 0 DFADHO CC[N@H+]1CC[C@@H](NCc2ccc(F)c(CN(C)C)c2)[C@H](C)C1 ZINC000120874412 195255729 /nfs/dbraw/zinc/25/57/29/195255729.db2.gz QKSARTSJDZSVRB-RDTXWAMCSA-N 1 3 307.457 2.707 20 0 DFADHO CCN1CC[C@@H]([NH2+]Cc2ccc(F)c(CN(C)C)c2)[C@H](C)C1 ZINC000120874412 195255730 /nfs/dbraw/zinc/25/57/30/195255730.db2.gz QKSARTSJDZSVRB-RDTXWAMCSA-N 1 3 307.457 2.707 20 0 DFADHO O[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)CN1CCCC1 ZINC000298222285 285305719 /nfs/dbraw/zinc/30/57/19/285305719.db2.gz SHNHMDXQRJJZHO-IRXDYDNUSA-N 1 3 308.853 2.837 20 0 DFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1CCN(C)C ZINC000289574938 221077568 /nfs/dbraw/zinc/07/75/68/221077568.db2.gz DLONDVDOIVISEP-OAHLLOKOSA-N 1 3 320.481 2.641 20 0 DFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1CCN(C)C ZINC000289574938 221077570 /nfs/dbraw/zinc/07/75/70/221077570.db2.gz DLONDVDOIVISEP-OAHLLOKOSA-N 1 3 320.481 2.641 20 0 DFADHO Cc1nc(C(C)C)ccc1CN1CCC(OCCC[NH3+])CC1 ZINC000629513845 399630840 /nfs/dbraw/zinc/63/08/40/399630840.db2.gz MQSVHYIOTYFTME-UHFFFAOYSA-N 1 3 305.466 2.843 20 0 DFADHO CC(C)[C@H]1CN(C[C@@H]2CCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000625762361 399633775 /nfs/dbraw/zinc/63/37/75/399633775.db2.gz UZMCWRKQAZVFSV-VQTJNVASSA-N 1 3 315.505 2.923 20 0 DFADHO CC(C)[C@H]1CN(C[C@@H]2CCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000625762361 399633781 /nfs/dbraw/zinc/63/37/81/399633781.db2.gz UZMCWRKQAZVFSV-VQTJNVASSA-N 1 3 315.505 2.923 20 0 DFADHO CC(C)[C@H]1CN(C[C@H]2CCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000625762362 399634002 /nfs/dbraw/zinc/63/40/02/399634002.db2.gz UZMCWRKQAZVFSV-WOJBJXKFSA-N 1 3 315.505 2.923 20 0 DFADHO CC(C)[C@H]1CN(C[C@H]2CCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000625762362 399634004 /nfs/dbraw/zinc/63/40/04/399634004.db2.gz UZMCWRKQAZVFSV-WOJBJXKFSA-N 1 3 315.505 2.923 20 0 DFADHO C[C@H](NCC1([NH3+])CCOCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000629522025 399634912 /nfs/dbraw/zinc/63/49/12/399634912.db2.gz VKIMRVCNWRGSJI-SDDRHHMPSA-N 1 3 314.882 2.991 20 0 DFADHO CC[C@@H](NCCOCC[NH2+]C)c1cccc(Br)c1 ZINC000629528738 399636421 /nfs/dbraw/zinc/63/64/21/399636421.db2.gz ICENSQKZRRRJPN-CQSZACIVSA-N 1 3 315.255 2.726 20 0 DFADHO CCOc1ccc(Cl)cc1[C@H](C)NCCOCC[NH2+]C ZINC000629529114 399636441 /nfs/dbraw/zinc/63/64/41/399636441.db2.gz RWMNJQAVQZDAJK-LBPRGKRZSA-N 1 3 300.830 2.625 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1c[nH]nc1-c1cccnc1)C2 ZINC000289947632 221334828 /nfs/dbraw/zinc/33/48/28/221334828.db2.gz YNAFHUHLHYSRID-SJPCQFCGSA-N 1 3 311.433 2.529 20 0 DFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1c[nH]nc1-c1cccnc1)C2 ZINC000289947632 221334831 /nfs/dbraw/zinc/33/48/31/221334831.db2.gz YNAFHUHLHYSRID-SJPCQFCGSA-N 1 3 311.433 2.529 20 0 DFADHO C[C@@H]1C[C@@H](N(C)CCc2cn[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000289971349 221351612 /nfs/dbraw/zinc/35/16/12/221351612.db2.gz JDLZRKZQDUXMME-APWZRJJASA-N 1 3 312.461 2.937 20 0 DFADHO C[C@@H]1C[C@@H](N(C)CCc2cn[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000289971349 221351613 /nfs/dbraw/zinc/35/16/13/221351613.db2.gz JDLZRKZQDUXMME-APWZRJJASA-N 1 3 312.461 2.937 20 0 DFADHO CC(C)c1cccc2c1OCCC[C@@H]2NCCOCCC[NH3+] ZINC000629534977 399639206 /nfs/dbraw/zinc/63/92/06/399639206.db2.gz CDZPKQRYIJCSCV-KRWDZBQOSA-N 1 3 306.450 2.979 20 0 DFADHO C[C@@H]1CC[C@H](N[C@@H]2CCCN(Cc3ccccc3)[C@@H]2C)C[NH2+]1 ZINC000629538425 399640657 /nfs/dbraw/zinc/64/06/57/399640657.db2.gz JOLSHYUCANASRN-ZAWLATJESA-N 1 3 301.478 2.770 20 0 DFADHO [NH3+]CCCOCCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000629538704 399640353 /nfs/dbraw/zinc/64/03/53/399640353.db2.gz NIUVBXDHZJHHJO-SFHVURJKSA-N 1 3 302.393 2.870 20 0 DFADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000290033326 221391279 /nfs/dbraw/zinc/39/12/79/221391279.db2.gz RYWUOLXITCUBGK-IAGOWNOFSA-N 1 3 303.450 2.855 20 0 DFADHO CC(C)(NC[C@H]1CCC2(C[NH2+]C2)O1)c1nc2ccccc2s1 ZINC000629543741 399641380 /nfs/dbraw/zinc/64/13/80/399641380.db2.gz ATVXJFWGMKUDAA-GFCCVEGCSA-N 1 3 317.458 2.642 20 0 DFADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N(C)CCOCC[NH3+] ZINC000629577934 399653367 /nfs/dbraw/zinc/65/33/67/399653367.db2.gz FWQAUWJWWDFMCD-LLVKDONJSA-N 1 3 306.328 2.553 20 0 DFADHO Cc1ccc(C(C)(C)CNC[C@H](O)C[NH+]2CCCC2)c(C)c1 ZINC000629579508 399653437 /nfs/dbraw/zinc/65/34/37/399653437.db2.gz FFDALBGDYGALAF-KRWDZBQOSA-N 1 3 304.478 2.627 20 0 DFADHO CN(CCOCC[NH3+])Cc1cccc(OCc2ccccc2)c1 ZINC000629577534 399653729 /nfs/dbraw/zinc/65/37/29/399653729.db2.gz CDVNIIGRFZJGFQ-UHFFFAOYSA-N 1 3 314.429 2.673 20 0 DFADHO CC(C)[C@@H](CNC[C@H](O)C[NH+]1CCCC1)Cc1ccccc1 ZINC000629576631 399653742 /nfs/dbraw/zinc/65/37/42/399653742.db2.gz NVHPMRAAIIBUNI-MOPGFXCFSA-N 1 3 304.478 2.548 20 0 DFADHO C[C@H](N[C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000629544557 399642723 /nfs/dbraw/zinc/64/27/23/399642723.db2.gz JHBFZIHPDMLJPT-SCRDCRAPSA-N 1 3 311.832 2.645 20 0 DFADHO C[C@H](N[C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@H]1CC[NH2+]C1 ZINC000629544554 399642919 /nfs/dbraw/zinc/64/29/19/399642919.db2.gz JHBFZIHPDMLJPT-OBJOEFQTSA-N 1 3 311.832 2.645 20 0 DFADHO OCc1ccc(F)c(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000629544621 399642985 /nfs/dbraw/zinc/64/29/85/399642985.db2.gz JRGUAWRWQXMUHO-INIZCTEOSA-N 1 3 306.425 2.530 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccnc(-c2ccccc2)c1 ZINC000629550971 399644860 /nfs/dbraw/zinc/64/48/60/399644860.db2.gz QJEFYGAXZINQHE-JCGIZDLHSA-N 1 3 311.429 2.591 20 0 DFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccnc(-c2ccccc2)c1 ZINC000629550968 399644918 /nfs/dbraw/zinc/64/49/18/399644918.db2.gz QJEFYGAXZINQHE-BMGDILEWSA-N 1 3 311.429 2.591 20 0 DFADHO CC(C)C[C@@H]1CCC[C@H](NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000629551872 399644970 /nfs/dbraw/zinc/64/49/70/399644970.db2.gz YCYHWABAVBTBDA-ZOBUZTSGSA-N 1 3 305.470 2.507 20 0 DFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccnc(-c2ccccc2)c1 ZINC000629550975 399645650 /nfs/dbraw/zinc/64/56/50/399645650.db2.gz QJEFYGAXZINQHE-WBAXXEDZSA-N 1 3 311.429 2.591 20 0 DFADHO CC(C)(C)[C@@H]1CCCC[C@H]1NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629553786 399646509 /nfs/dbraw/zinc/64/65/09/399646509.db2.gz XSLBHVPFHCNLPA-BZUAXINKSA-N 1 3 305.470 2.507 20 0 DFADHO CC1(C)CC[C@@H](CNC[C@@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000629573008 399652034 /nfs/dbraw/zinc/65/20/34/399652034.db2.gz BNLGMSKBUPBDCH-DLBZAZTESA-N 1 3 316.489 2.888 20 0 DFADHO Cc1cc(C[NH2+]CC2(N)CCOCC2)ccc1C(F)(F)F ZINC000629655609 399677657 /nfs/dbraw/zinc/67/76/57/399677657.db2.gz WQZFCLWHMXVDAJ-UHFFFAOYSA-N 1 3 302.340 2.611 20 0 DFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000294958224 224338794 /nfs/dbraw/zinc/33/87/94/224338794.db2.gz FSURDUQFUZZFMI-KRWDZBQOSA-N 1 3 317.477 2.646 20 0 DFADHO Cc1nccnc1CC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000294976212 224352546 /nfs/dbraw/zinc/35/25/46/224352546.db2.gz KHRHECGUYJOJFQ-QFBILLFUSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1nccnc1CCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294976212 224352547 /nfs/dbraw/zinc/35/25/47/224352547.db2.gz KHRHECGUYJOJFQ-QFBILLFUSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1nccnc1CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294976212 224352550 /nfs/dbraw/zinc/35/25/50/224352550.db2.gz KHRHECGUYJOJFQ-QFBILLFUSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1nccnc1CC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000294976213 224352618 /nfs/dbraw/zinc/35/26/18/224352618.db2.gz KHRHECGUYJOJFQ-VQIMIIECSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1nccnc1CCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294976213 224352620 /nfs/dbraw/zinc/35/26/20/224352620.db2.gz KHRHECGUYJOJFQ-VQIMIIECSA-N 1 3 324.472 2.828 20 0 DFADHO Cc1nccnc1CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294976213 224352623 /nfs/dbraw/zinc/35/26/23/224352623.db2.gz KHRHECGUYJOJFQ-VQIMIIECSA-N 1 3 324.472 2.828 20 0 DFADHO CCOC1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000091676583 542541806 /nfs/dbraw/zinc/54/18/06/542541806.db2.gz MBZFAIPDOPIGGU-UHFFFAOYSA-N 1 3 306.450 2.628 20 0 DFADHO OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000295039853 224397219 /nfs/dbraw/zinc/39/72/19/224397219.db2.gz MNVXLULSBYGWQB-OUUBHVDSSA-N 1 3 314.473 2.648 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1sccc1C1CC1 ZINC000617505267 399721079 /nfs/dbraw/zinc/72/10/79/399721079.db2.gz ZQYWRTBAIMTFNU-ZDUSSCGKSA-N 1 3 323.506 2.627 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1sccc1C1CC1 ZINC000617505267 399721084 /nfs/dbraw/zinc/72/10/84/399721084.db2.gz ZQYWRTBAIMTFNU-ZDUSSCGKSA-N 1 3 323.506 2.627 20 0 DFADHO CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(C[NH3+])cc1 ZINC000423755380 296443936 /nfs/dbraw/zinc/44/39/36/296443936.db2.gz DSTTUDAEVIXBLG-UHFFFAOYSA-N 1 3 317.477 2.729 20 0 DFADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000348098338 285347027 /nfs/dbraw/zinc/34/70/27/285347027.db2.gz ARUNVVHFLZOQEK-CABCVRRESA-N 1 3 316.367 2.948 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1 ZINC000423759962 296444439 /nfs/dbraw/zinc/44/44/39/296444439.db2.gz MMONMHVPKRLCDW-KBPBESRZSA-N 1 3 303.450 2.509 20 0 DFADHO Cc1cc(C)n(CC2CC[NH+](CC[C@H]3CCCN3C)CC2)n1 ZINC000120948720 195269747 /nfs/dbraw/zinc/26/97/47/195269747.db2.gz MZHMHOLQZIZTKT-GOSISDBHSA-N 1 3 304.482 2.696 20 0 DFADHO Cc1cc(C)n(CC2CCN(CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000120948720 195269750 /nfs/dbraw/zinc/26/97/50/195269750.db2.gz MZHMHOLQZIZTKT-GOSISDBHSA-N 1 3 304.482 2.696 20 0 DFADHO Cc1cc(C)n(CC2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000120948720 195269752 /nfs/dbraw/zinc/26/97/52/195269752.db2.gz MZHMHOLQZIZTKT-GOSISDBHSA-N 1 3 304.482 2.696 20 0 DFADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000119917330 542575651 /nfs/dbraw/zinc/57/56/51/542575651.db2.gz ZFBLYTKOZQUAOQ-OAHLLOKOSA-N 1 3 322.884 2.778 20 0 DFADHO COC(=O)c1ccc([C@@H](C)N2CCC(CC[NH+](C)C)CC2)o1 ZINC000121658862 195325442 /nfs/dbraw/zinc/32/54/42/195325442.db2.gz CTMQOAFRWWNFSY-CYBMUJFWSA-N 1 3 308.422 2.791 20 0 DFADHO CCOC(=O)CCCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121633925 195321195 /nfs/dbraw/zinc/32/11/95/195321195.db2.gz KGTYIAOSSQMJII-UHFFFAOYSA-N 1 3 310.482 2.918 20 0 DFADHO CC[N@H+](CCCn1ccnc1)Cc1ccc(CN(C)C)cc1 ZINC000626062877 399741074 /nfs/dbraw/zinc/74/10/74/399741074.db2.gz JTGZVYICNCEPPJ-UHFFFAOYSA-N 1 3 300.450 2.857 20 0 DFADHO CC[N@@H+](CCCn1ccnc1)Cc1ccc(CN(C)C)cc1 ZINC000626062877 399741079 /nfs/dbraw/zinc/74/10/79/399741079.db2.gz JTGZVYICNCEPPJ-UHFFFAOYSA-N 1 3 300.450 2.857 20 0 DFADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@@H](O)CC(F)(F)F ZINC000626063195 399742326 /nfs/dbraw/zinc/74/23/26/399742326.db2.gz VFPYYNMEHSPKHV-HNNXBMFYSA-N 1 3 318.383 2.883 20 0 DFADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@@H](O)CC(F)(F)F ZINC000626063195 399742329 /nfs/dbraw/zinc/74/23/29/399742329.db2.gz VFPYYNMEHSPKHV-HNNXBMFYSA-N 1 3 318.383 2.883 20 0 DFADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@H](OC)[C@@H]1CCOC1 ZINC000626063935 399742923 /nfs/dbraw/zinc/74/29/23/399742923.db2.gz WAFIXKXYQHIJGN-MOPGFXCFSA-N 1 3 320.477 2.622 20 0 DFADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@H](OC)[C@@H]1CCOC1 ZINC000626063935 399742925 /nfs/dbraw/zinc/74/29/25/399742925.db2.gz WAFIXKXYQHIJGN-MOPGFXCFSA-N 1 3 320.477 2.622 20 0 DFADHO CN1CCC[N@H+](CCCNCc2ccc(F)cc2Cl)CC1 ZINC000136059547 542655432 /nfs/dbraw/zinc/65/54/32/542655432.db2.gz CBQPRTSUMAAZAM-UHFFFAOYSA-N 1 3 313.848 2.596 20 0 DFADHO CN1CCC[N@@H+](CCCNCc2ccc(F)cc2Cl)CC1 ZINC000136059547 542655436 /nfs/dbraw/zinc/65/54/36/542655436.db2.gz CBQPRTSUMAAZAM-UHFFFAOYSA-N 1 3 313.848 2.596 20 0 DFADHO CN(C)CCOc1cccc(-c2cccc3c2C[C@@H]2[C@@H]([NH3+])[C@H]32)c1 ZINC000630051910 399802524 /nfs/dbraw/zinc/80/25/24/399802524.db2.gz SMQRVEXDAJYNRS-XUVXKRRUSA-N 1 3 308.425 2.891 20 0 DFADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(OCCN(C)C)cc1 ZINC000178310307 542776097 /nfs/dbraw/zinc/77/60/97/542776097.db2.gz XYMZXYBWFGAHHV-LIRZEXBASA-N 1 3 304.434 2.598 20 0 DFADHO CN1CCCN(CCC[NH2+]CC(C)(C)c2ccccc2)CC1 ZINC000181765367 542791442 /nfs/dbraw/zinc/79/14/42/542791442.db2.gz KQAABDTXBOIQOI-UHFFFAOYSA-N 1 3 303.494 2.581 20 0 DFADHO CN1CCC[C@@H](CNC(=O)CC2([NH3+])CCC2)[C@@H]1c1cccs1 ZINC000237114659 542900977 /nfs/dbraw/zinc/90/09/77/542900977.db2.gz OUCZWOIKBNKDKJ-XJKSGUPXSA-N 1 3 321.490 2.519 20 0 DFADHO O[C@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)CN1CCCC1 ZINC000289333058 543007028 /nfs/dbraw/zinc/00/70/28/543007028.db2.gz VWPIAPFMTFFEKP-KDOFPFPSSA-N 1 3 313.445 2.592 20 0 DFADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C)N2CCC(C)CC2)c1 ZINC000424430365 296509533 /nfs/dbraw/zinc/50/95/33/296509533.db2.gz BOVIIQQZZPXAAN-HNNXBMFYSA-N 1 3 318.465 2.696 20 0 DFADHO CC[N@@H+]1CC[C@@H](NCCc2cccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000293774023 543021998 /nfs/dbraw/zinc/02/19/98/543021998.db2.gz SKJKDWJGPQGKJM-TZMCWYRMSA-N 1 3 315.383 2.963 20 0 DFADHO CC[N@H+]1CC[C@@H](NCCc2cccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000293774023 543022000 /nfs/dbraw/zinc/02/20/00/543022000.db2.gz SKJKDWJGPQGKJM-TZMCWYRMSA-N 1 3 315.383 2.963 20 0 DFADHO CN(CCN1CC[NH2+]CC1)C1c2ccccc2-c2ccccc21 ZINC000320704909 543083305 /nfs/dbraw/zinc/08/33/05/543083305.db2.gz JDDBDPGEQLCDLJ-UHFFFAOYSA-N 1 3 307.441 2.593 20 0 DFADHO CC1(C)CCC([NH2+]CC(=O)NCCN2CCCCCC2)CC1 ZINC000353670486 146709515 /nfs/dbraw/zinc/70/95/15/146709515.db2.gz HRAYKWIZAHTDAE-UHFFFAOYSA-N 1 3 309.498 2.537 20 0 DFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000348081060 543183090 /nfs/dbraw/zinc/18/30/90/543183090.db2.gz HXWBSKQTULKZPS-WOJBJXKFSA-N 1 3 313.489 2.712 20 0 DFADHO CN1CCC(C[NH2+][C@@H]2CC[C@@H]2C2CC2)(N2CCCCC2)CC1 ZINC000348102592 543183549 /nfs/dbraw/zinc/18/35/49/543183549.db2.gz NYLLZDIKUGTNRY-QZTJIDSGSA-N 1 3 305.510 2.715 20 0 DFADHO CC(C)[C@H]1CC[C@@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000353495486 543235653 /nfs/dbraw/zinc/23/56/53/543235653.db2.gz HWUZNBNZNCLNKD-MOPGFXCFSA-N 1 3 316.493 2.618 20 0 DFADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000353497492 543235931 /nfs/dbraw/zinc/23/59/31/543235931.db2.gz OTRHKQMCGIYENJ-ROUUACIJSA-N 1 3 317.477 2.502 20 0 DFADHO COc1cc2c(cc1OC)[C@@H]([NH2+]CC1=CCN(C)CC1)CC2 ZINC000358965231 543269983 /nfs/dbraw/zinc/26/99/83/543269983.db2.gz MOUZVJIGTUHOBG-INIZCTEOSA-N 1 3 302.418 2.543 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)CC[N@@H+]1C ZINC000167464060 145240596 /nfs/dbraw/zinc/24/05/96/145240596.db2.gz UAVYRYWUCMWJMH-HZSPNIEDSA-N 1 3 309.404 2.616 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)CC[N@H+]1C ZINC000167464060 145240597 /nfs/dbraw/zinc/24/05/97/145240597.db2.gz UAVYRYWUCMWJMH-HZSPNIEDSA-N 1 3 309.404 2.616 20 0 DFADHO Brc1ccc(C[NH2+]C2CCNCC2)c2ncccc12 ZINC000414797547 543328015 /nfs/dbraw/zinc/32/80/15/543328015.db2.gz ZHXFPRXOVICBRD-UHFFFAOYSA-N 1 3 320.234 2.839 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000414907697 543328045 /nfs/dbraw/zinc/32/80/45/543328045.db2.gz AVEOUCSUZHJFGD-JFIYKMOQSA-N 1 3 304.434 2.604 20 0 DFADHO N[C@@H](C[NH2+]Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000414895468 543328099 /nfs/dbraw/zinc/32/80/99/543328099.db2.gz XNSACFCNPUCAFW-AWEZNQCLSA-N 1 3 320.234 2.824 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000414930181 543328104 /nfs/dbraw/zinc/32/81/04/543328104.db2.gz SPAHTBMKCOAOAT-CWRNSKLLSA-N 1 3 303.450 2.880 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H](N)C2)c1C ZINC000414930181 543328107 /nfs/dbraw/zinc/32/81/07/543328107.db2.gz SPAHTBMKCOAOAT-CWRNSKLLSA-N 1 3 303.450 2.880 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000414932959 543328396 /nfs/dbraw/zinc/32/83/96/543328396.db2.gz WGAQSELTOLEVTJ-XHSDSOJGSA-N 1 3 303.450 2.880 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H](N)C2)c(C)c1 ZINC000414932959 543328398 /nfs/dbraw/zinc/32/83/98/543328398.db2.gz WGAQSELTOLEVTJ-XHSDSOJGSA-N 1 3 303.450 2.880 20 0 DFADHO CC[NH+]1CCC(CNCc2ccncc2Br)CC1 ZINC000631063033 399972417 /nfs/dbraw/zinc/97/24/17/399972417.db2.gz FQCQIKIMYYSCTF-UHFFFAOYSA-N 1 3 312.255 2.666 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000631196058 400001564 /nfs/dbraw/zinc/00/15/64/400001564.db2.gz NKDSKDLNRNAYNV-APWZRJJASA-N 1 3 300.446 2.691 20 0 DFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCC1=CCCOC1 ZINC000631196058 400001566 /nfs/dbraw/zinc/00/15/66/400001566.db2.gz NKDSKDLNRNAYNV-APWZRJJASA-N 1 3 300.446 2.691 20 0 DFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCC1=CCCOC1 ZINC000631196058 400001568 /nfs/dbraw/zinc/00/15/68/400001568.db2.gz NKDSKDLNRNAYNV-APWZRJJASA-N 1 3 300.446 2.691 20 0 DFADHO CC[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000628214292 400003133 /nfs/dbraw/zinc/00/31/33/400003133.db2.gz RTEZOWNHYCCMHD-FGTMMUONSA-N 1 3 307.526 2.961 20 0 DFADHO CCC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cc(C)ccn1 ZINC000631584015 400054725 /nfs/dbraw/zinc/05/47/25/400054725.db2.gz AVTDSNFEXCDBOM-GOSISDBHSA-N 1 3 318.509 2.847 20 0 DFADHO CC(C)[C@H]1CN([C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCN1C ZINC000631793441 400075887 /nfs/dbraw/zinc/07/58/87/400075887.db2.gz GZZJVDUXHUFEKR-YZGWKJHDSA-N 1 3 315.505 2.921 20 0 DFADHO CC(C)[C@H]1CN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000631793441 400075888 /nfs/dbraw/zinc/07/58/88/400075888.db2.gz GZZJVDUXHUFEKR-YZGWKJHDSA-N 1 3 315.505 2.921 20 0 DFADHO CC[NH+](CC)CCOCCN[C@H]1CCCc2nc(C)sc21 ZINC000349670275 285912629 /nfs/dbraw/zinc/91/26/29/285912629.db2.gz VCAFYJHAHUGEMM-AWEZNQCLSA-N 1 3 311.495 2.777 20 0 DFADHO CC1(C[NH2+]Cc2ccccc2CN2CCC(O)CC2)CCC1 ZINC000434780253 543349811 /nfs/dbraw/zinc/34/98/11/543349811.db2.gz YUVABCAQOVXEGD-UHFFFAOYSA-N 1 3 302.462 2.923 20 0 DFADHO CC1(C[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCC1 ZINC000434771155 543349954 /nfs/dbraw/zinc/34/99/54/543349954.db2.gz AIWICZRLZAQDDJ-UHFFFAOYSA-N 1 3 302.462 2.923 20 0 DFADHO COC[C@H](CCC[NH3+])N[C@H](C)c1cccc(OC(F)F)c1 ZINC000234697295 146018000 /nfs/dbraw/zinc/01/80/00/146018000.db2.gz BFVDGIHAESBAJN-YPMHNXCESA-N 1 3 302.365 2.693 20 0 DFADHO CCCC[C@H](N)C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000236810738 146028635 /nfs/dbraw/zinc/02/86/35/146028635.db2.gz KYQLCTYKHGHUJE-IRXDYDNUSA-N 1 3 305.466 2.703 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccsc1 ZINC000236832098 146028846 /nfs/dbraw/zinc/02/88/46/146028846.db2.gz DCFKCTBMTBIKIS-DOTOQJQBSA-N 1 3 323.506 2.779 20 0 DFADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCC=CO3)CC2)C[C@@H](C)O1 ZINC000248995515 146181064 /nfs/dbraw/zinc/18/10/64/146181064.db2.gz OURSFYVGURDQDD-JFIYKMOQSA-N 1 3 308.466 2.500 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CN1Cc1ccccc1 ZINC000249031023 146182557 /nfs/dbraw/zinc/18/25/57/146182557.db2.gz RCRABHYFWIYBCA-IFNDBITQSA-N 1 3 313.489 2.864 20 0 DFADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000249031023 146182558 /nfs/dbraw/zinc/18/25/58/146182558.db2.gz RCRABHYFWIYBCA-IFNDBITQSA-N 1 3 313.489 2.864 20 0 DFADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000249031023 146182559 /nfs/dbraw/zinc/18/25/59/146182559.db2.gz RCRABHYFWIYBCA-IFNDBITQSA-N 1 3 313.489 2.864 20 0 DFADHO CN1CCC[C@H]2C[N@H+](CCCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000249520560 146200796 /nfs/dbraw/zinc/20/07/96/146200796.db2.gz UZXXOBSNONMZNC-RBUKOAKNSA-N 1 3 314.473 2.970 20 0 DFADHO CN1CCC[C@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000249520560 146200799 /nfs/dbraw/zinc/20/07/99/146200799.db2.gz UZXXOBSNONMZNC-RBUKOAKNSA-N 1 3 314.473 2.970 20 0 DFADHO C[N@@H+]1CCC[C@H]2CN(CCCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000249520560 146200802 /nfs/dbraw/zinc/20/08/02/146200802.db2.gz UZXXOBSNONMZNC-RBUKOAKNSA-N 1 3 314.473 2.970 20 0 DFADHO C[N@H+]1CCC[C@H]2CN(CCCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000249520560 146200805 /nfs/dbraw/zinc/20/08/05/146200805.db2.gz UZXXOBSNONMZNC-RBUKOAKNSA-N 1 3 314.473 2.970 20 0 DFADHO OCCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000250095559 146210494 /nfs/dbraw/zinc/21/04/94/146210494.db2.gz QSOUVRMGXCVXPX-GBESFXJTSA-N 1 3 314.473 2.649 20 0 DFADHO [NH3+]C[C@@H]1CN(CCOc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000261600385 146244026 /nfs/dbraw/zinc/24/40/26/146244026.db2.gz ACQXLQWBLZLVHM-APWZRJJASA-N 1 3 314.404 2.879 20 0 DFADHO CC(C)(C)c1n[nH]cc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261634819 146251210 /nfs/dbraw/zinc/25/12/10/146251210.db2.gz FTHYKKHKJKVONX-WBVHZDCISA-N 1 3 312.461 2.882 20 0 DFADHO CCC[C@@](C)(N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000261668946 146256760 /nfs/dbraw/zinc/25/67/60/146256760.db2.gz HALKGZKMTGVCRC-LJQANCHMSA-N 1 3 317.477 2.806 20 0 DFADHO NC[C@@H]1C[N@H+](Cc2cccc3c2NCC3)C[C@H]1c1ccccc1 ZINC000261726604 146266180 /nfs/dbraw/zinc/26/61/80/146266180.db2.gz NWNIOCOHZHQSFI-MOPGFXCFSA-N 1 3 307.441 2.829 20 0 DFADHO NC[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)C[C@H]1c1ccccc1 ZINC000261726604 146266185 /nfs/dbraw/zinc/26/61/85/146266185.db2.gz NWNIOCOHZHQSFI-MOPGFXCFSA-N 1 3 307.441 2.829 20 0 DFADHO [NH3+]C[C@@H]1CN(Cc2cccc3c2NCC3)C[C@H]1c1ccccc1 ZINC000261726604 146266187 /nfs/dbraw/zinc/26/61/87/146266187.db2.gz NWNIOCOHZHQSFI-MOPGFXCFSA-N 1 3 307.441 2.829 20 0 DFADHO Cc1ccc(C[N@H+](C)CC(C)(C)CN)c(-c2cnn(C)c2)c1 ZINC000261753583 146270837 /nfs/dbraw/zinc/27/08/37/146270837.db2.gz CIVHPLQYMRXTJH-UHFFFAOYSA-N 1 3 300.450 2.812 20 0 DFADHO Cc1ccc(C[N@@H+](C)CC(C)(C)CN)c(-c2cnn(C)c2)c1 ZINC000261753583 146270841 /nfs/dbraw/zinc/27/08/41/146270841.db2.gz CIVHPLQYMRXTJH-UHFFFAOYSA-N 1 3 300.450 2.812 20 0 DFADHO Cc1ccc(CN(C)CC(C)(C)C[NH3+])c(-c2cnn(C)c2)c1 ZINC000261753583 146270844 /nfs/dbraw/zinc/27/08/44/146270844.db2.gz CIVHPLQYMRXTJH-UHFFFAOYSA-N 1 3 300.450 2.812 20 0 DFADHO Cn1cnc2cc(CN3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)ccc21 ZINC000261806846 146280527 /nfs/dbraw/zinc/28/05/27/146280527.db2.gz WKMPNXWUVWJUJN-MSOLQXFVSA-N 1 3 320.440 2.748 20 0 DFADHO Cn1cnc2cc(C[N@@H+]3C[C@@H](CN)[C@H](c4ccccc4)C3)ccc21 ZINC000261806846 146280531 /nfs/dbraw/zinc/28/05/31/146280531.db2.gz WKMPNXWUVWJUJN-MSOLQXFVSA-N 1 3 320.440 2.748 20 0 DFADHO Cn1cnc2cc(C[N@H+]3C[C@@H](CN)[C@H](c4ccccc4)C3)ccc21 ZINC000261806846 146280534 /nfs/dbraw/zinc/28/05/34/146280534.db2.gz WKMPNXWUVWJUJN-MSOLQXFVSA-N 1 3 320.440 2.748 20 0 DFADHO Cc1nc2ccccc2n1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261818068 146282068 /nfs/dbraw/zinc/28/20/68/146282068.db2.gz WJGNDXBQYHBUPG-GVDBMIGSSA-N 1 3 312.461 2.855 20 0 DFADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc(OC)c1 ZINC000261836732 146286236 /nfs/dbraw/zinc/28/62/36/146286236.db2.gz CAKDVGDMVCPJAU-GOSISDBHSA-N 1 3 304.434 2.668 20 0 DFADHO Cc1ccc2c(CN3CCC[C@H](CC[NH3+])C3)cc(=O)oc2c1 ZINC000261916829 146301355 /nfs/dbraw/zinc/30/13/55/146301355.db2.gz HCRBHJBBJWEFQX-CQSZACIVSA-N 1 3 300.402 2.662 20 0 DFADHO COc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1OC ZINC000261982440 146315719 /nfs/dbraw/zinc/31/57/19/146315719.db2.gz ROPNAJRWMCTWTO-INIZCTEOSA-N 1 3 304.434 2.668 20 0 DFADHO Cc1ccccc1-n1nccc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000261981709 146316005 /nfs/dbraw/zinc/31/60/05/146316005.db2.gz JFXONLJFEXMRBZ-UHFFFAOYSA-N 1 3 310.445 2.756 20 0 DFADHO COc1ccc(CN2CCC[C@@H](CC[NH3+])C2)cc1OC(F)F ZINC000262019513 146324042 /nfs/dbraw/zinc/32/40/42/146324042.db2.gz XIUUNEZMECQHDE-LBPRGKRZSA-N 1 3 314.376 2.857 20 0 DFADHO Cc1ccc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000262052676 146327404 /nfs/dbraw/zinc/32/74/04/146327404.db2.gz ZTXLJFSFASGOTE-HZPDHXFCSA-N 1 3 312.461 2.955 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000262101983 146332978 /nfs/dbraw/zinc/33/29/78/146332978.db2.gz VROZUGDFFWCRGV-IEBWSBKVSA-N 1 3 301.478 2.582 20 0 DFADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262353516 146353686 /nfs/dbraw/zinc/35/36/86/146353686.db2.gz UUMISOUNDKPJEJ-GPNCCUPLSA-N 1 3 321.509 2.519 20 0 DFADHO C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])N1CCCC[C@@H]1C ZINC000262437181 146359915 /nfs/dbraw/zinc/35/99/15/146359915.db2.gz ULSUREPAFGNAGS-VBYWAMKTSA-N 1 3 321.509 2.519 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H](C)N2CCCCC2)[C@H]1C ZINC000354670029 147111118 /nfs/dbraw/zinc/11/11/18/147111118.db2.gz URZLNHXLRPYFDX-QAETUUGQSA-N 1 3 310.482 2.818 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2scnc2C2CC2)C1 ZINC000494954325 543416601 /nfs/dbraw/zinc/41/66/01/543416601.db2.gz RFBLIPNEIHHJHC-HNNXBMFYSA-N 1 3 323.506 2.953 20 0 DFADHO CC(C)[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000354814127 147160534 /nfs/dbraw/zinc/16/05/34/147160534.db2.gz FBFIGJPLMNGZRF-MSOLQXFVSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000354814127 147160536 /nfs/dbraw/zinc/16/05/36/147160536.db2.gz FBFIGJPLMNGZRF-MSOLQXFVSA-N 1 3 317.477 2.526 20 0 DFADHO C[C@H](NCCCC[NH+](C)C)c1ccc(Br)cn1 ZINC000519259675 543426236 /nfs/dbraw/zinc/42/62/36/543426236.db2.gz LXDDQIWASHLBHB-NSHDSACASA-N 1 3 300.244 2.837 20 0 DFADHO CC[NH+](CC)CC1CCN(Cc2cccc3c2OCO3)CC1 ZINC000350143647 286010315 /nfs/dbraw/zinc/01/03/15/286010315.db2.gz OIMAKJOUXMTYLP-UHFFFAOYSA-N 1 3 304.434 2.969 20 0 DFADHO COCCN(C)CC[C@@H](Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000357690269 148086235 /nfs/dbraw/zinc/08/62/35/148086235.db2.gz NNEBYRCAHKUAAW-LJQANCHMSA-N 1 3 313.445 2.933 20 0 DFADHO C[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1nccs1 ZINC000357783312 148120627 /nfs/dbraw/zinc/12/06/27/148120627.db2.gz HNBMMJFGUFUATJ-AWEZNQCLSA-N 1 3 319.474 2.977 20 0 DFADHO C[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1nccs1 ZINC000357783313 148121046 /nfs/dbraw/zinc/12/10/46/148121046.db2.gz HNBMMJFGUFUATJ-CQSZACIVSA-N 1 3 319.474 2.977 20 0 DFADHO COC[C@H](CC(C)C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000357840984 148145310 /nfs/dbraw/zinc/14/53/10/148145310.db2.gz OBGODWHYIQRMTF-KRWDZBQOSA-N 1 3 305.466 2.949 20 0 DFADHO C[NH+](C)CC1CCN(Cc2ccccc2OCCCCO)CC1 ZINC000637908129 543494424 /nfs/dbraw/zinc/49/44/24/543494424.db2.gz YISMVQHDNWNOMJ-UHFFFAOYSA-N 1 3 320.477 2.612 20 0 DFADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)F ZINC000358573119 148389525 /nfs/dbraw/zinc/38/95/25/148389525.db2.gz QSQPFBMBAVODFK-YLFCFFPRSA-N 1 3 324.415 2.503 20 0 DFADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)F ZINC000358573119 148389528 /nfs/dbraw/zinc/38/95/28/148389528.db2.gz QSQPFBMBAVODFK-YLFCFFPRSA-N 1 3 324.415 2.503 20 0 DFADHO O[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(F)F ZINC000358573119 148389530 /nfs/dbraw/zinc/38/95/30/148389530.db2.gz QSQPFBMBAVODFK-YLFCFFPRSA-N 1 3 324.415 2.503 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000361030791 149012453 /nfs/dbraw/zinc/01/24/53/149012453.db2.gz LQORDIONKPNZNO-MDNKFWRPSA-N 1 3 313.489 2.723 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000361030791 149012455 /nfs/dbraw/zinc/01/24/55/149012455.db2.gz LQORDIONKPNZNO-MDNKFWRPSA-N 1 3 313.489 2.723 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCCC2)CCN1Cc1ccccc1 ZINC000361345144 149091842 /nfs/dbraw/zinc/09/18/42/149091842.db2.gz YCOYGDSWPOQKAV-MJGOQNOKSA-N 1 3 301.478 2.725 20 0 DFADHO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(OCCN(C)C)cc1 ZINC000361387223 149102623 /nfs/dbraw/zinc/10/26/23/149102623.db2.gz USIGQLNVMIJXEM-YJBOKZPZSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc(OCCN(C)C)c1 ZINC000361396335 149104688 /nfs/dbraw/zinc/10/46/88/149104688.db2.gz GARVOLPQDOZFRC-MAUKXSAKSA-N 1 3 306.450 2.704 20 0 DFADHO [NH2+]=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N1CCCCC1 ZINC000361803944 149224262 /nfs/dbraw/zinc/22/42/62/149224262.db2.gz NBQNXNLXZOUKFP-SFHVURJKSA-N 1 3 314.477 2.909 20 0 DFADHO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000361889550 149248297 /nfs/dbraw/zinc/24/82/97/149248297.db2.gz BEQMBXOZISHBIG-LBPRGKRZSA-N 1 3 311.495 2.682 20 0 DFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000361966632 149266970 /nfs/dbraw/zinc/26/69/70/149266970.db2.gz NPNMYKKNFXNQRL-MJGOQNOKSA-N 1 3 316.493 2.508 20 0 DFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccccc1CN(C)C ZINC000362759737 149360451 /nfs/dbraw/zinc/36/04/51/149360451.db2.gz MWDLWXJEOJGGJI-HZPDHXFCSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000351519218 286141403 /nfs/dbraw/zinc/14/14/03/286141403.db2.gz ODMJTPWRALMFCS-AYOQOUSVSA-N 1 3 302.462 2.567 20 0 DFADHO C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000351519218 286141405 /nfs/dbraw/zinc/14/14/05/286141405.db2.gz ODMJTPWRALMFCS-AYOQOUSVSA-N 1 3 302.462 2.567 20 0 DFADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCc4cnccn4)[C@H]3C2)cc1 ZINC000371665299 150077692 /nfs/dbraw/zinc/07/76/92/150077692.db2.gz LSBZPLLZCAQDBI-YSIASYRMSA-N 1 3 322.456 2.519 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCCc4cnccn4)[C@H]3C2)cc1 ZINC000371665299 150077696 /nfs/dbraw/zinc/07/76/96/150077696.db2.gz LSBZPLLZCAQDBI-YSIASYRMSA-N 1 3 322.456 2.519 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCCc4cnccn4)[C@H]3C2)cc1 ZINC000371665299 150077699 /nfs/dbraw/zinc/07/76/99/150077699.db2.gz LSBZPLLZCAQDBI-YSIASYRMSA-N 1 3 322.456 2.519 20 0 DFADHO C[C@H]([NH2+]CCc1cnccn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372355319 150166587 /nfs/dbraw/zinc/16/65/87/150166587.db2.gz LOTQDJORXWGBDV-WMZOPIPTSA-N 1 3 310.445 2.519 20 0 DFADHO C[C@H](NCCc1cnccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372355319 150166589 /nfs/dbraw/zinc/16/65/89/150166589.db2.gz LOTQDJORXWGBDV-WMZOPIPTSA-N 1 3 310.445 2.519 20 0 DFADHO C[C@H](NCCc1cnccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372355319 150166591 /nfs/dbraw/zinc/16/65/91/150166591.db2.gz LOTQDJORXWGBDV-WMZOPIPTSA-N 1 3 310.445 2.519 20 0 DFADHO CSC[C@H](O)C[N@@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000372922627 150202922 /nfs/dbraw/zinc/20/29/22/150202922.db2.gz IZPBODNYYUMFEB-QZTJIDSGSA-N 1 3 322.518 2.697 20 0 DFADHO CSC[C@H](O)C[N@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000372922627 150202923 /nfs/dbraw/zinc/20/29/23/150202923.db2.gz IZPBODNYYUMFEB-QZTJIDSGSA-N 1 3 322.518 2.697 20 0 DFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426928517 296644331 /nfs/dbraw/zinc/64/43/31/296644331.db2.gz IWPVXDKARYRQHN-MRXNPFEDSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNCc2cnn(CC(F)F)c2)C1 ZINC000352132042 286300350 /nfs/dbraw/zinc/30/03/50/286300350.db2.gz YHQORNKWOVVCTH-AWEZNQCLSA-N 1 3 314.424 2.750 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNCc2cnn(CC(F)F)c2)C1 ZINC000352132042 286300352 /nfs/dbraw/zinc/30/03/52/286300352.db2.gz YHQORNKWOVVCTH-AWEZNQCLSA-N 1 3 314.424 2.750 20 0 DFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000352191468 286315702 /nfs/dbraw/zinc/31/57/02/286315702.db2.gz VHMBKLINIPYHSY-SFHVURJKSA-N 1 3 319.493 2.744 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCSC(C)(C)C ZINC000370172467 289323367 /nfs/dbraw/zinc/32/33/67/289323367.db2.gz KXJBGRZZISFUGP-KFWWJZLASA-N 1 3 300.512 2.702 20 0 DFADHO COc1ccc([C@H](OC)[C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000271586629 286377034 /nfs/dbraw/zinc/37/70/34/286377034.db2.gz XPCLERFQMXSRSQ-YQYZPQCESA-N 1 3 306.450 2.844 20 0 DFADHO COc1ccc([C@H](OC)[C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000271586629 286377035 /nfs/dbraw/zinc/37/70/35/286377035.db2.gz XPCLERFQMXSRSQ-YQYZPQCESA-N 1 3 306.450 2.844 20 0 DFADHO COc1ccccc1OCCN(CCC[NH3+])CC1CCCC1 ZINC000352503623 286391033 /nfs/dbraw/zinc/39/10/33/286391033.db2.gz IHBVQLKSEHAHSD-UHFFFAOYSA-N 1 3 306.450 2.915 20 0 DFADHO COc1ccccc1OCC[N@H+](CCCN)CC1CCCC1 ZINC000352503623 286391034 /nfs/dbraw/zinc/39/10/34/286391034.db2.gz IHBVQLKSEHAHSD-UHFFFAOYSA-N 1 3 306.450 2.915 20 0 DFADHO COc1ccccc1OCC[N@@H+](CCCN)CC1CCCC1 ZINC000352503623 286391035 /nfs/dbraw/zinc/39/10/35/286391035.db2.gz IHBVQLKSEHAHSD-UHFFFAOYSA-N 1 3 306.450 2.915 20 0 DFADHO CC(C)[C@@H](CSc1ccccc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000352788220 286468263 /nfs/dbraw/zinc/46/82/63/286468263.db2.gz JNSUVFLZOZLYGY-QGZVFWFLSA-N 1 3 322.518 2.850 20 0 DFADHO CC[C@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000353077205 286545548 /nfs/dbraw/zinc/54/55/48/286545548.db2.gz DTENEAAGQDZDHK-GOSISDBHSA-N 1 3 319.493 2.732 20 0 DFADHO COc1ccc(COCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000246363675 158088836 /nfs/dbraw/zinc/08/88/36/158088836.db2.gz XQJSLOFJDCDBOI-HDMKZQKVSA-N 1 3 306.450 2.530 20 0 DFADHO COc1ccc(COCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000246363675 158088838 /nfs/dbraw/zinc/08/88/38/158088838.db2.gz XQJSLOFJDCDBOI-HDMKZQKVSA-N 1 3 306.450 2.530 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OCCOC)cc2)C1 ZINC000247060577 158116199 /nfs/dbraw/zinc/11/61/99/158116199.db2.gz NTSFWCVSBZYTRF-HZPDHXFCSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@@H]1C[C@@H](N[C@H]2CCN(c3c(F)cccc3F)C2)CC[N@@H+]1C ZINC000247184225 158122493 /nfs/dbraw/zinc/12/24/93/158122493.db2.gz UAVYRYWUCMWJMH-RDBSUJKOSA-N 1 3 309.404 2.616 20 0 DFADHO C[C@@H]1C[C@@H](N[C@H]2CCN(c3c(F)cccc3F)C2)CC[N@H+]1C ZINC000247184225 158122494 /nfs/dbraw/zinc/12/24/94/158122494.db2.gz UAVYRYWUCMWJMH-RDBSUJKOSA-N 1 3 309.404 2.616 20 0 DFADHO CCOc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)ccc1OC ZINC000247953225 158153276 /nfs/dbraw/zinc/15/32/76/158153276.db2.gz FGICBCFJOOMQPK-IJEWVQPXSA-N 1 3 306.450 2.912 20 0 DFADHO C[C@@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C[C@H](C)O ZINC000248145993 158162158 /nfs/dbraw/zinc/16/21/58/158162158.db2.gz QEABYMIPAOKDKQ-OWCLPIDISA-N 1 3 308.466 2.685 20 0 DFADHO COc1ccc(OCCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000248149434 158162813 /nfs/dbraw/zinc/16/28/13/158162813.db2.gz QOOKXQYMRZFHIO-VQIMIIECSA-N 1 3 318.461 2.880 20 0 DFADHO COc1ccc(OCCCN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000248149434 158162814 /nfs/dbraw/zinc/16/28/14/158162814.db2.gz QOOKXQYMRZFHIO-VQIMIIECSA-N 1 3 318.461 2.880 20 0 DFADHO COc1ccc(OCCC[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000248149434 158162816 /nfs/dbraw/zinc/16/28/16/158162816.db2.gz QOOKXQYMRZFHIO-VQIMIIECSA-N 1 3 318.461 2.880 20 0 DFADHO COc1ccc(OCCC[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000248149434 158162817 /nfs/dbraw/zinc/16/28/17/158162817.db2.gz QOOKXQYMRZFHIO-VQIMIIECSA-N 1 3 318.461 2.880 20 0 DFADHO CC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248417951 158174119 /nfs/dbraw/zinc/17/41/19/158174119.db2.gz RTVHIXHQPCSCDJ-MKXGPGLRSA-N 1 3 302.462 2.648 20 0 DFADHO OCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCC1 ZINC000248446496 158177331 /nfs/dbraw/zinc/17/73/31/158177331.db2.gz COZZQGNWKIMAEB-GUDVDZBRSA-N 1 3 314.473 2.649 20 0 DFADHO C[C@H](O)[C@@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000248755883 158200769 /nfs/dbraw/zinc/20/07/69/158200769.db2.gz CQPBSZMDDBEHBO-QFMLELGNSA-N 1 3 316.489 2.831 20 0 DFADHO C[C@H](O)[C@@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000248755883 158200771 /nfs/dbraw/zinc/20/07/71/158200771.db2.gz CQPBSZMDDBEHBO-QFMLELGNSA-N 1 3 316.489 2.831 20 0 DFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)CN2CCCC2)[C@@H]1C ZINC000355143231 158283976 /nfs/dbraw/zinc/28/39/76/158283976.db2.gz ZRPLVVKIIPQDKK-PMPSAXMXSA-N 1 3 310.482 2.676 20 0 DFADHO CN(C)CC(C)(C)C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000356862453 158316389 /nfs/dbraw/zinc/31/63/89/158316389.db2.gz ZSUKLSCMZSIJQD-UHFFFAOYSA-N 1 3 309.420 2.581 20 0 DFADHO CN(C)CCc1ccccc1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000356893400 158318811 /nfs/dbraw/zinc/31/88/11/158318811.db2.gz PLGJFYDISWBDSF-QGZVFWFLSA-N 1 3 317.477 2.994 20 0 DFADHO CN(C)CCc1ccccc1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000356893400 158318813 /nfs/dbraw/zinc/31/88/13/158318813.db2.gz PLGJFYDISWBDSF-QGZVFWFLSA-N 1 3 317.477 2.994 20 0 DFADHO COc1cccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1OC ZINC000357059215 158358248 /nfs/dbraw/zinc/35/82/48/158358248.db2.gz WOKQFQVTSSZSFE-OAHLLOKOSA-N 1 3 304.434 2.525 20 0 DFADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000236941312 286805133 /nfs/dbraw/zinc/80/51/33/286805133.db2.gz BDWUREOBVUQZRN-PVAVHDDUSA-N 1 3 305.466 2.559 20 0 DFADHO COc1cc(CN2CCC3(CC[NH2+]C3)CC2)ccc1SC ZINC000430913405 296811449 /nfs/dbraw/zinc/81/14/49/296811449.db2.gz UVCJTQWYBSWNHP-UHFFFAOYSA-N 1 3 306.475 2.993 20 0 DFADHO CC(C)CNC(=O)c1cccc(CN2CCC([C@H](C)[NH3+])CC2)c1 ZINC000430926481 296812294 /nfs/dbraw/zinc/81/22/94/296812294.db2.gz GRQGAJZZVKFLQT-HNNXBMFYSA-N 1 3 317.477 2.632 20 0 DFADHO C[C@H](C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)CN1CCCCC1 ZINC000315598345 298792909 /nfs/dbraw/zinc/79/29/09/298792909.db2.gz PEKSFNXCSRAJLK-RDBSUJKOSA-N 1 3 308.388 2.808 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000129016078 196012340 /nfs/dbraw/zinc/01/23/40/196012340.db2.gz UPTUBLZILRVHAD-ADAWSYLGSA-N 1 3 306.450 2.781 20 0 DFADHO COc1ccc(O[C@H](C)CN[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000129016078 196012342 /nfs/dbraw/zinc/01/23/42/196012342.db2.gz UPTUBLZILRVHAD-ADAWSYLGSA-N 1 3 306.450 2.781 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000129584580 196059460 /nfs/dbraw/zinc/05/94/60/196059460.db2.gz FYIPUUHHMYPZEL-QKPAOTATSA-N 1 3 306.450 2.781 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000129584580 196059463 /nfs/dbraw/zinc/05/94/63/196059463.db2.gz FYIPUUHHMYPZEL-QKPAOTATSA-N 1 3 306.450 2.781 20 0 DFADHO COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1OC ZINC000131829781 196202497 /nfs/dbraw/zinc/20/24/97/196202497.db2.gz NBQOWEQAPIBCSY-MQVJKMGUSA-N 1 3 304.434 2.809 20 0 DFADHO CCCc1cc(NC[C@@](C)(O)C[NH+](C)C)c2ccccc2n1 ZINC000133008909 196304550 /nfs/dbraw/zinc/30/45/50/196304550.db2.gz URGLDZFGKBABAU-GOSISDBHSA-N 1 3 301.434 2.912 20 0 DFADHO CC[C@@H](C)C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000133566115 196331481 /nfs/dbraw/zinc/33/14/81/196331481.db2.gz VRUCVZDNQQIGRF-MRXNPFEDSA-N 1 3 317.477 2.648 20 0 DFADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000368051550 287307522 /nfs/dbraw/zinc/30/75/22/287307522.db2.gz NPRUBKIBVFYDCJ-KURKYZTESA-N 1 3 307.526 2.913 20 0 DFADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000368051550 287307523 /nfs/dbraw/zinc/30/75/23/287307523.db2.gz NPRUBKIBVFYDCJ-KURKYZTESA-N 1 3 307.526 2.913 20 0 DFADHO CN(C)[C@@H](CC(=O)N(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000667999493 543720985 /nfs/dbraw/zinc/72/09/85/543720985.db2.gz DWIMGPFFMLYKFW-SFHVURJKSA-N 1 3 317.477 2.624 20 0 DFADHO C[C@@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000668624804 543838627 /nfs/dbraw/zinc/83/86/27/543838627.db2.gz BLFBGDKUFOHXFV-CVEARBPZSA-N 1 3 306.450 2.626 20 0 DFADHO C[C@H](CCCO)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000296589199 226023280 /nfs/dbraw/zinc/02/32/80/226023280.db2.gz UWGOHVGTNDQFDR-HZPDHXFCSA-N 1 3 308.466 2.686 20 0 DFADHO CCC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)[C@H]1CC1(C)C ZINC000669418981 543943862 /nfs/dbraw/zinc/94/38/62/543943862.db2.gz PNAUDHHMXYSPFB-JQHSSLGASA-N 1 3 307.526 2.959 20 0 DFADHO Cn1nccc1CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000670072513 544018703 /nfs/dbraw/zinc/01/87/03/544018703.db2.gz VCSKCSIMGYXTRN-UHFFFAOYSA-N 1 3 304.482 2.551 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@@H]2OCCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000671751999 544106277 /nfs/dbraw/zinc/10/62/77/544106277.db2.gz KAYDXVMETPQGPE-VJANTYMQSA-N 1 3 300.446 2.763 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@@H]2OCCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000671751999 544106279 /nfs/dbraw/zinc/10/62/79/544106279.db2.gz KAYDXVMETPQGPE-VJANTYMQSA-N 1 3 300.446 2.763 20 0 DFADHO CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000672987680 544163564 /nfs/dbraw/zinc/16/35/64/544163564.db2.gz GZUIGWWYIRJQPV-KZNAEPCWSA-N 1 3 321.509 2.726 20 0 DFADHO CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000672987680 544163565 /nfs/dbraw/zinc/16/35/65/544163565.db2.gz GZUIGWWYIRJQPV-KZNAEPCWSA-N 1 3 321.509 2.726 20 0 DFADHO Cc1cccnc1CCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297532743 227268117 /nfs/dbraw/zinc/26/81/17/227268117.db2.gz XXLWTHZZRPSABR-UHFFFAOYSA-N 1 3 310.445 2.976 20 0 DFADHO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C1(C)C ZINC000674677504 544250544 /nfs/dbraw/zinc/25/05/44/544250544.db2.gz JIZRZDFKAVGDQX-SJORKVTESA-N 1 3 306.450 2.530 20 0 DFADHO CC[C@@H](Cc1cccs1)[NH2+]CCCN1CCCN(C)CC1 ZINC000675821683 544338871 /nfs/dbraw/zinc/33/88/71/544338871.db2.gz LOPANYMUHPKYID-INIZCTEOSA-N 1 3 309.523 2.686 20 0 DFADHO CC(=O)N1CC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@@H](C)C1 ZINC000675916224 544344211 /nfs/dbraw/zinc/34/42/11/544344211.db2.gz YOYALDMTSBPXIP-HNAYVOBHSA-N 1 3 321.509 2.630 20 0 DFADHO CC[NH+]1CCC(N[C@@H](Cc2nccn2C)c2ccccc2)CC1 ZINC000675921535 544344583 /nfs/dbraw/zinc/34/45/83/544344583.db2.gz YHINUXKVTHQENM-SFHVURJKSA-N 1 3 312.461 2.778 20 0 DFADHO Cc1nccn1CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000677981223 544575504 /nfs/dbraw/zinc/57/55/04/544575504.db2.gz YCRNERYCGMTJKY-UHFFFAOYSA-N 1 3 304.482 2.780 20 0 DFADHO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(OCCN(C)C)cc1 ZINC000678259143 544634617 /nfs/dbraw/zinc/63/46/17/544634617.db2.gz CYCIDSPWGCPQQV-SFHVURJKSA-N 1 3 319.493 2.543 20 0 DFADHO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc(OCCN(C)C)cc1 ZINC000678259143 544634619 /nfs/dbraw/zinc/63/46/19/544634619.db2.gz CYCIDSPWGCPQQV-SFHVURJKSA-N 1 3 319.493 2.543 20 0 DFADHO CSc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443057647 297214083 /nfs/dbraw/zinc/21/40/83/297214083.db2.gz HNWRXCXWDZDKHT-KBPBESRZSA-N 1 3 321.490 2.796 20 0 DFADHO CCc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443056537 297213642 /nfs/dbraw/zinc/21/36/42/297213642.db2.gz CWAFHYYLUJZBLR-HOCLYGCPSA-N 1 3 303.450 2.637 20 0 DFADHO C[C@@H]1C[C@H](Nc2cccc(CN3CCC(O)CC3)c2)CC[N@@H+]1C ZINC000679053034 544775469 /nfs/dbraw/zinc/77/54/69/544775469.db2.gz XPZBIWLJSQHXKX-CRAIPNDOSA-N 1 3 317.477 2.538 20 0 DFADHO C[C@@H]1C[C@H](Nc2cccc(CN3CCC(O)CC3)c2)CC[N@H+]1C ZINC000679053034 544775470 /nfs/dbraw/zinc/77/54/70/544775470.db2.gz XPZBIWLJSQHXKX-CRAIPNDOSA-N 1 3 317.477 2.538 20 0 DFADHO CCN1C[C@H](C)[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000679074239 544779677 /nfs/dbraw/zinc/77/96/77/544779677.db2.gz AFMSBZCFQZDTLH-RNIPGJKVSA-N 1 3 307.526 2.959 20 0 DFADHO CC(C)(O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000679721600 544905695 /nfs/dbraw/zinc/90/56/95/544905695.db2.gz PFUUYVPDIUGFAX-RCCFBDPRSA-N 1 3 302.462 2.648 20 0 DFADHO C[C@H]1C[C@H](CC[NH2+]Cc2ccc(OCCN(C)C)cc2)CCO1 ZINC000680142044 544964146 /nfs/dbraw/zinc/96/41/46/544964146.db2.gz QXKXRNAIVBZDKT-DLBZAZTESA-N 1 3 320.477 2.922 20 0 DFADHO C[N@H+](CCN1CCN([C@H]2C=CCCC2)CC1)Cc1ccccc1 ZINC000066534400 425904638 /nfs/dbraw/zinc/90/46/38/425904638.db2.gz HAJKQNZYVOICBF-FQEVSTJZSA-N 1 3 313.489 2.845 20 0 DFADHO C[N@@H+](CCN1CCN([C@H]2C=CCCC2)CC1)Cc1ccccc1 ZINC000066534400 425904639 /nfs/dbraw/zinc/90/46/39/425904639.db2.gz HAJKQNZYVOICBF-FQEVSTJZSA-N 1 3 313.489 2.845 20 0 DFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000155578494 425921592 /nfs/dbraw/zinc/92/15/92/425921592.db2.gz HHOCTJWDZYZDKL-GJZGRUSLSA-N 1 3 323.456 2.511 20 0 DFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000155881883 425928360 /nfs/dbraw/zinc/92/83/60/425928360.db2.gz FPYSHBNHKWMLBI-INIZCTEOSA-N 1 3 319.493 2.989 20 0 DFADHO C[NH+]1CCC(CNCc2sccc2Br)CC1 ZINC000044518066 425856816 /nfs/dbraw/zinc/85/68/16/425856816.db2.gz LEYLTQCJJJHYGV-UHFFFAOYSA-N 1 3 303.269 2.942 20 0 DFADHO Cc1ccc(C[N@@H+](C)CCCN2CCN(C(C)C)CC2)s1 ZINC000192732047 268047068 /nfs/dbraw/zinc/04/70/68/268047068.db2.gz JXLDRKBOTFYILW-UHFFFAOYSA-N 1 3 309.523 2.904 20 0 DFADHO Cc1ccc(C[N@H+](C)CCCN2CCN(C(C)C)CC2)s1 ZINC000192732047 268047071 /nfs/dbraw/zinc/04/70/71/268047071.db2.gz JXLDRKBOTFYILW-UHFFFAOYSA-N 1 3 309.523 2.904 20 0 DFADHO COc1ccc(CNC(C)(C)CC[NH3+])cc1Br ZINC000258677706 268168692 /nfs/dbraw/zinc/16/86/92/268168692.db2.gz AQJAQTZUMBAVNJ-UHFFFAOYSA-N 1 3 301.228 2.675 20 0 DFADHO CC1CCN([C@@H](CNC(=O)C(C)(C)C[NH3+])c2ccccc2)CC1 ZINC000236719995 268149136 /nfs/dbraw/zinc/14/91/36/268149136.db2.gz IXXZZTNOIXIUMY-KRWDZBQOSA-N 1 3 317.477 2.561 20 0 DFADHO Fc1ccc(Br)cc1CNCC[C@H]1CC[NH2+]C1 ZINC000259107869 268168854 /nfs/dbraw/zinc/16/88/54/268168854.db2.gz UYZVLCDVHPAXIL-SNVBAGLBSA-N 1 3 301.203 2.677 20 0 DFADHO Cc1nccn1CCN(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000270861314 268226972 /nfs/dbraw/zinc/22/69/72/268226972.db2.gz JWKSZEQTLUOLPG-IBGZPJMESA-N 1 3 312.461 2.788 20 0 DFADHO Cc1nccn1CCN(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000270861314 268226974 /nfs/dbraw/zinc/22/69/74/268226974.db2.gz JWKSZEQTLUOLPG-IBGZPJMESA-N 1 3 312.461 2.788 20 0 DFADHO CC[NH+](CC)CCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000298599495 268315107 /nfs/dbraw/zinc/31/51/07/268315107.db2.gz MYJROYGDOYCDJS-UHFFFAOYSA-N 1 3 317.477 2.744 20 0 DFADHO CCOC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000321487191 268348578 /nfs/dbraw/zinc/34/85/78/268348578.db2.gz XYFXGBPCZPOPDN-YESZJQIVSA-N 1 3 323.481 2.508 20 0 DFADHO CC(C)CN(CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000157610175 425940071 /nfs/dbraw/zinc/94/00/71/425940071.db2.gz ZPQYAYLDFRUGHM-GOSISDBHSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)C[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000157610175 425940076 /nfs/dbraw/zinc/94/00/76/425940076.db2.gz ZPQYAYLDFRUGHM-GOSISDBHSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)C[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000157610175 425940079 /nfs/dbraw/zinc/94/00/79/425940079.db2.gz ZPQYAYLDFRUGHM-GOSISDBHSA-N 1 3 317.477 2.526 20 0 DFADHO CCC[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000158047207 425940936 /nfs/dbraw/zinc/94/09/36/425940936.db2.gz NZKQYCIQSSWZJA-OKZBNKHCSA-N 1 3 323.525 2.830 20 0 DFADHO CCC[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000158047207 425940939 /nfs/dbraw/zinc/94/09/39/425940939.db2.gz NZKQYCIQSSWZJA-OKZBNKHCSA-N 1 3 323.525 2.830 20 0 DFADHO COCCOCCN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158839637 425948867 /nfs/dbraw/zinc/94/88/67/425948867.db2.gz UDDGHXAMQMLDCD-QGZVFWFLSA-N 1 3 312.498 2.626 20 0 DFADHO COCCOCCN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158839637 425948870 /nfs/dbraw/zinc/94/88/70/425948870.db2.gz UDDGHXAMQMLDCD-QGZVFWFLSA-N 1 3 312.498 2.626 20 0 DFADHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)N(C)C ZINC000158971607 425950649 /nfs/dbraw/zinc/95/06/49/425950649.db2.gz WTTBMLOZKOXUAE-FMKPAKJESA-N 1 3 323.506 2.587 20 0 DFADHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N(C)C ZINC000158971607 425950651 /nfs/dbraw/zinc/95/06/51/425950651.db2.gz WTTBMLOZKOXUAE-FMKPAKJESA-N 1 3 323.506 2.587 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC[C@@H]2CCOC2=O)CC1 ZINC000158976211 425951683 /nfs/dbraw/zinc/95/16/83/425951683.db2.gz YDTPKDKEJARDJA-SJLPKXTDSA-N 1 3 322.493 2.916 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CC[C@@H]2CCOC2=O)CC1 ZINC000158976211 425951686 /nfs/dbraw/zinc/95/16/86/425951686.db2.gz YDTPKDKEJARDJA-SJLPKXTDSA-N 1 3 322.493 2.916 20 0 DFADHO CCN(CC)C(=O)C1([NH2+]CC[C@@H]2CCCN2C)CCCCC1 ZINC000125214599 425958373 /nfs/dbraw/zinc/95/83/73/425958373.db2.gz VVWPUXLMBZOACC-INIZCTEOSA-N 1 3 309.498 2.632 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000161872451 426042480 /nfs/dbraw/zinc/04/24/80/426042480.db2.gz QAMNNOVQIGJWBA-FMKPAKJESA-N 1 3 304.434 2.666 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000127559986 426072593 /nfs/dbraw/zinc/07/25/93/426072593.db2.gz FUFNWKRXOFPPLP-SJORKVTESA-N 1 3 311.514 2.830 20 0 DFADHO CCC[C@@H](C(=O)NCC1CC[NH+](CCC(C)C)CC1)N(C)C ZINC000162435100 426065518 /nfs/dbraw/zinc/06/55/18/426065518.db2.gz YUWWEFPHEFEEHO-KRWDZBQOSA-N 1 3 311.514 2.591 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cc2cc(OC)ccc2o1 ZINC000126483349 426021984 /nfs/dbraw/zinc/02/19/84/426021984.db2.gz QPKFRYIZYUAZHR-INIZCTEOSA-N 1 3 320.433 2.888 20 0 DFADHO C[C@H]1C[C@H](NCCNc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000163086102 426088410 /nfs/dbraw/zinc/08/84/10/426088410.db2.gz YIZCCIODCQVODA-CMPLNLGQSA-N 1 3 317.264 2.873 20 0 DFADHO C[C@H]1C[C@H](NCCNc2ncc(Cl)cc2Cl)CC[N@H+]1C ZINC000163086102 426088414 /nfs/dbraw/zinc/08/84/14/426088414.db2.gz YIZCCIODCQVODA-CMPLNLGQSA-N 1 3 317.264 2.873 20 0 DFADHO C[C@@H]([NH2+]CCc1nccs1)c1cccc(OCCN(C)C)c1 ZINC000127883118 426090831 /nfs/dbraw/zinc/09/08/31/426090831.db2.gz YGBXFYKARKZPDP-CQSZACIVSA-N 1 3 319.474 2.977 20 0 DFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)C(C)(C)c1ccccc1 ZINC000128250851 426108962 /nfs/dbraw/zinc/10/89/62/426108962.db2.gz MQWLVEQTGZKZGG-SFHVURJKSA-N 1 3 317.521 2.970 20 0 DFADHO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CCN1C ZINC000165293364 426122119 /nfs/dbraw/zinc/12/21/19/426122119.db2.gz OMKJHVPGSQIKQY-IHPCNDPISA-N 1 3 315.505 2.623 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000165926285 426124227 /nfs/dbraw/zinc/12/42/27/426124227.db2.gz JUYWWLCILRWDAA-KSSFIOAISA-N 1 3 321.465 2.652 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(F)cc1F ZINC000165965977 426124742 /nfs/dbraw/zinc/12/47/42/426124742.db2.gz XDZKPFAWFGBEGC-TZMCWYRMSA-N 1 3 300.393 2.972 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cc(F)cc(F)c1 ZINC000166004547 426125480 /nfs/dbraw/zinc/12/54/80/426125480.db2.gz BAXICSDNZRGBQE-WBMJQRKESA-N 1 3 300.393 2.972 20 0 DFADHO CCOc1ccc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128652607 426126899 /nfs/dbraw/zinc/12/68/99/426126899.db2.gz DNSUEOXOWDVUNM-KRWDZBQOSA-N 1 3 319.493 2.764 20 0 DFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000166330866 426127605 /nfs/dbraw/zinc/12/76/05/426127605.db2.gz IYVWDGMMYJXDNR-QGZVKYPTSA-N 1 3 315.505 2.969 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000167619060 426133569 /nfs/dbraw/zinc/13/35/69/426133569.db2.gz UAGVIAFIGMEPAQ-UAGQMJEPSA-N 1 3 317.477 2.750 20 0 DFADHO CCN(CC)Cc1cccc(NC(=O)[C@@]2(CC)CCC[NH2+]2)c1 ZINC000128858926 426135969 /nfs/dbraw/zinc/13/59/69/426135969.db2.gz BSQTYSSPIFLKKG-GOSISDBHSA-N 1 3 303.450 2.999 20 0 DFADHO CN1CCC[C@@H]1CC[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000162841235 426079511 /nfs/dbraw/zinc/07/95/11/426079511.db2.gz NIQBJNKRVBYRAO-QGZVFWFLSA-N 1 3 305.441 2.822 20 0 DFADHO CN1CCC[C@@H]1CC[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000162841235 426079513 /nfs/dbraw/zinc/07/95/13/426079513.db2.gz NIQBJNKRVBYRAO-QGZVFWFLSA-N 1 3 305.441 2.822 20 0 DFADHO C[C@@H]1C[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000127676544 426080732 /nfs/dbraw/zinc/08/07/32/426080732.db2.gz PBFKLRNBKXCMFS-RHSMWYFYSA-N 1 3 316.424 2.626 20 0 DFADHO C[C@@H]1C[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC000127676544 426080734 /nfs/dbraw/zinc/08/07/34/426080734.db2.gz PBFKLRNBKXCMFS-RHSMWYFYSA-N 1 3 316.424 2.626 20 0 DFADHO C[C@H]1CN(C)CC[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000129609172 426139956 /nfs/dbraw/zinc/13/99/56/426139956.db2.gz LKWZEJBIGSLATK-RAUXBKROSA-N 1 3 315.505 2.969 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@]1(CC)CCC[NH2+]1)c1ccsc1 ZINC000134568154 426189040 /nfs/dbraw/zinc/18/90/40/426189040.db2.gz IBQOUXGHVSLDOX-RDJZCZTQSA-N 1 3 323.506 2.779 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@@]1(CC)CCC[NH2+]1)c1ccsc1 ZINC000134568177 426189046 /nfs/dbraw/zinc/18/90/46/426189046.db2.gz IBQOUXGHVSLDOX-NVXWUHKLSA-N 1 3 323.506 2.779 20 0 DFADHO CCc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCN(CC)CC2)o1 ZINC000121401726 426340347 /nfs/dbraw/zinc/34/03/47/426340347.db2.gz HLQAPAYXDCUCNW-HOTGVXAUSA-N 1 3 307.482 2.766 20 0 DFADHO CCC[NH+](CCC)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000175872145 426335655 /nfs/dbraw/zinc/33/56/55/426335655.db2.gz ISXGZVHOUZYBHV-QGZVFWFLSA-N 1 3 305.466 2.528 20 0 DFADHO C[C@@H]([NH2+]CCCn1ccnc1)c1ccc(OCCN(C)C)cc1 ZINC000151109943 426278131 /nfs/dbraw/zinc/27/81/31/426278131.db2.gz WMHQUSHUIISVAG-MRXNPFEDSA-N 1 3 316.449 2.564 20 0 DFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000151140061 426280924 /nfs/dbraw/zinc/28/09/24/426280924.db2.gz XXEUJFPPZGLXAC-JKSUJKDBSA-N 1 3 313.449 2.650 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1nc2ccccc2n1C ZINC000091369115 426341584 /nfs/dbraw/zinc/34/15/84/426341584.db2.gz IXAGRPVEMCCDRW-LSDHHAIUSA-N 1 3 318.465 2.581 20 0 DFADHO CC1CCC(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000093148363 426353980 /nfs/dbraw/zinc/35/39/80/426353980.db2.gz ZKDWJCKFTDHYCQ-ACBHZAAOSA-N 1 3 307.526 2.915 20 0 DFADHO CC1CCC(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000093148363 426353983 /nfs/dbraw/zinc/35/39/83/426353983.db2.gz ZKDWJCKFTDHYCQ-ACBHZAAOSA-N 1 3 307.526 2.915 20 0 DFADHO CCC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(C)C ZINC000122323154 426368969 /nfs/dbraw/zinc/36/89/69/426368969.db2.gz YNFJQBUXWWSMFH-GOSISDBHSA-N 1 3 317.477 2.629 20 0 DFADHO CCSCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000123041847 426411080 /nfs/dbraw/zinc/41/10/80/426411080.db2.gz MLAOMLUHFGETFQ-HUUCEWRRSA-N 1 3 300.512 2.561 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)N2CCCC2)o1 ZINC000154030771 426420234 /nfs/dbraw/zinc/42/02/34/426420234.db2.gz MJRKKOJOPLBJTH-XIRDDKMYSA-N 1 3 305.466 2.655 20 0 DFADHO Cc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)N2CCCC2)o1 ZINC000154030771 426420237 /nfs/dbraw/zinc/42/02/37/426420237.db2.gz MJRKKOJOPLBJTH-XIRDDKMYSA-N 1 3 305.466 2.655 20 0 DFADHO Cc1ccc([C@H](C[NH2+][C@H]2CCN(C)C[C@@H]2C)N2CCCC2)o1 ZINC000154030771 426420238 /nfs/dbraw/zinc/42/02/38/426420238.db2.gz MJRKKOJOPLBJTH-XIRDDKMYSA-N 1 3 305.466 2.655 20 0 DFADHO CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123271450 426423757 /nfs/dbraw/zinc/42/37/57/426423757.db2.gz WHIGKGUGSGUZNB-HZPDHXFCSA-N 1 3 311.514 2.734 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000154251414 426432684 /nfs/dbraw/zinc/43/26/84/426432684.db2.gz MGPJJMNLXRTRJA-OAHLLOKOSA-N 1 3 323.456 2.513 20 0 DFADHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000123533544 426438954 /nfs/dbraw/zinc/43/89/54/426438954.db2.gz YJAGOPNRRAPJHQ-KBXCAEBGSA-N 1 3 312.461 2.919 20 0 DFADHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000123533544 426438957 /nfs/dbraw/zinc/43/89/57/426438957.db2.gz YJAGOPNRRAPJHQ-KBXCAEBGSA-N 1 3 312.461 2.919 20 0 DFADHO CCN1CCN(CCCC[NH2+][C@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000154478445 426442498 /nfs/dbraw/zinc/44/24/98/426442498.db2.gz PLKCHVKMTQSSSO-FXAWDEMLSA-N 1 3 315.505 2.927 20 0 DFADHO CCCC[C@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000154549067 426444783 /nfs/dbraw/zinc/44/47/83/426444783.db2.gz KTPAUOODHBDRTG-BBWFWOEESA-N 1 3 309.498 2.617 20 0 DFADHO CCCC[C@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000154549067 426444785 /nfs/dbraw/zinc/44/47/85/426444785.db2.gz KTPAUOODHBDRTG-BBWFWOEESA-N 1 3 309.498 2.617 20 0 DFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](CO)C1 ZINC000154614752 426448571 /nfs/dbraw/zinc/44/85/71/426448571.db2.gz WXRMERKOWGFSNR-GOSISDBHSA-N 1 3 304.478 2.849 20 0 DFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](CO)C1 ZINC000154614752 426448574 /nfs/dbraw/zinc/44/85/74/426448574.db2.gz WXRMERKOWGFSNR-GOSISDBHSA-N 1 3 304.478 2.849 20 0 DFADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000341432964 269076863 /nfs/dbraw/zinc/07/68/63/269076863.db2.gz PIIFDRGZYRYENX-GOSISDBHSA-N 1 3 323.525 2.975 20 0 DFADHO CC(C)n1ncc2cc(CN(C)CC3CC[NH+](C)CC3)cnc21 ZINC000154831165 426456990 /nfs/dbraw/zinc/45/69/90/426456990.db2.gz ALJATUDHPHURKY-UHFFFAOYSA-N 1 3 315.465 2.786 20 0 DFADHO CC(C)n1ncc2cc(C[N@H+](C)CC3CCN(C)CC3)cnc21 ZINC000154831165 426456994 /nfs/dbraw/zinc/45/69/94/426456994.db2.gz ALJATUDHPHURKY-UHFFFAOYSA-N 1 3 315.465 2.786 20 0 DFADHO CC(C)n1ncc2cc(C[N@@H+](C)CC3CCN(C)CC3)cnc21 ZINC000154831165 426456996 /nfs/dbraw/zinc/45/69/96/426456996.db2.gz ALJATUDHPHURKY-UHFFFAOYSA-N 1 3 315.465 2.786 20 0 DFADHO CC(C)N1CCCC[C@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177431493 426478891 /nfs/dbraw/zinc/47/88/91/426478891.db2.gz YKQZMZRIUVNITA-SFHVURJKSA-N 1 3 321.509 2.773 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c(OC)c1 ZINC000124376872 426482332 /nfs/dbraw/zinc/48/23/32/426482332.db2.gz UNPYQEHDVARDOD-ZIAGYGMSSA-N 1 3 304.434 2.839 20 0 DFADHO C[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1[C@H](C)CC[C@H]1C ZINC000101631953 426485483 /nfs/dbraw/zinc/48/54/83/426485483.db2.gz WARZNWOGQJTGIJ-MCIONIFRSA-N 1 3 309.498 2.673 20 0 DFADHO CCCC[NH+]1CCC(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000101659266 426485900 /nfs/dbraw/zinc/48/59/00/426485900.db2.gz WMCUAAQHAAZTFQ-XHSDSOJGSA-N 1 3 309.498 2.628 20 0 DFADHO CCN1CCC([NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272368567 426508434 /nfs/dbraw/zinc/50/84/34/426508434.db2.gz UIUYJMRREDYNDA-IEBWSBKVSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1cnn(C)c1 ZINC000272392638 426515256 /nfs/dbraw/zinc/51/52/56/426515256.db2.gz YCOUZKAIWSPOPQ-BQFCYCMXSA-N 1 3 312.461 2.981 20 0 DFADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)C12CCOCC2 ZINC000186502461 426539735 /nfs/dbraw/zinc/53/97/35/426539735.db2.gz OOTRVGDMMUUDFR-FGTMMUONSA-N 1 3 324.509 2.815 20 0 DFADHO CCO[C@@H]1C[C@H](NCC[C@@H](C)[NH+]2CCCCC2)C12CCOCC2 ZINC000186502461 426539741 /nfs/dbraw/zinc/53/97/41/426539741.db2.gz OOTRVGDMMUUDFR-FGTMMUONSA-N 1 3 324.509 2.815 20 0 DFADHO C[C@@H]1CN(CCC2CC[NH+](CCOCC3CC3)CC2)C[C@H](C)O1 ZINC000177484570 426489138 /nfs/dbraw/zinc/48/91/38/426489138.db2.gz WJPKVXVRIMSXML-CALCHBBNSA-N 1 3 324.509 2.624 20 0 DFADHO C[C@@H](c1nc2ccccc2o1)N(C)CCCN(C)CC[NH+](C)C ZINC000289173300 426598444 /nfs/dbraw/zinc/59/84/44/426598444.db2.gz FMSZOYNQZUEWKL-HNNXBMFYSA-N 1 3 318.465 2.704 20 0 DFADHO Cc1cccc(CC2(O)CC[NH+](CC[C@H]3CCCN3C)CC2)c1 ZINC000280592209 426608815 /nfs/dbraw/zinc/60/88/15/426608815.db2.gz UIYYEVYKDQCKKF-LJQANCHMSA-N 1 3 316.489 2.849 20 0 DFADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000226373065 426619698 /nfs/dbraw/zinc/61/96/98/426619698.db2.gz HPNPMGYHCOGBNM-MWLCHTKSSA-N 1 3 303.269 2.770 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1ccc(Br)s1 ZINC000226373065 426619704 /nfs/dbraw/zinc/61/97/04/426619704.db2.gz HPNPMGYHCOGBNM-MWLCHTKSSA-N 1 3 303.269 2.770 20 0 DFADHO CC(C)c1nc([C@H](C)N[C@@H](C)CC[NH+]2CCN(C)CC2)cs1 ZINC000186583104 426556217 /nfs/dbraw/zinc/55/62/17/426556217.db2.gz LUCDOTSUPAFRKY-GJZGRUSLSA-N 1 3 324.538 2.943 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1 ZINC000272560681 426558485 /nfs/dbraw/zinc/55/84/85/426558485.db2.gz NRAGFUQEPSASNH-HOTGVXAUSA-N 1 3 317.477 2.741 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1 ZINC000272560681 426558489 /nfs/dbraw/zinc/55/84/89/426558489.db2.gz NRAGFUQEPSASNH-HOTGVXAUSA-N 1 3 317.477 2.741 20 0 DFADHO CN(CCC(=O)Nc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231669679 426650562 /nfs/dbraw/zinc/65/05/62/426650562.db2.gz SKVDCKFUWHAQJI-OAHLLOKOSA-N 1 3 309.841 2.743 20 0 DFADHO CC[C@]1(CN[C@H]2CC[N@H+](C)[C@H](C)C2)OCCc2ccccc21 ZINC000289614771 426670973 /nfs/dbraw/zinc/67/09/73/426670973.db2.gz DGUOEJCTIULMEA-HHXXYDBFSA-N 1 3 302.462 2.937 20 0 DFADHO CC[C@]1(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)OCCc2ccccc21 ZINC000289614771 426670977 /nfs/dbraw/zinc/67/09/77/426670977.db2.gz DGUOEJCTIULMEA-HHXXYDBFSA-N 1 3 302.462 2.937 20 0 DFADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236731139 426680327 /nfs/dbraw/zinc/68/03/27/426680327.db2.gz DDLUMGJIEHVIOV-SZMVWBNQSA-N 1 3 317.477 2.529 20 0 DFADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236731139 426680330 /nfs/dbraw/zinc/68/03/30/426680330.db2.gz DDLUMGJIEHVIOV-SZMVWBNQSA-N 1 3 317.477 2.529 20 0 DFADHO COCCOc1ccc([C@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000178412558 426625333 /nfs/dbraw/zinc/62/53/33/426625333.db2.gz MXKIBJJDBBYKNC-INIZCTEOSA-N 1 3 306.450 2.848 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(OCCN(C)C)cc1 ZINC000178424439 426626548 /nfs/dbraw/zinc/62/65/48/426626548.db2.gz RNKGRCJZWNNTNJ-HOTGVXAUSA-N 1 3 306.450 2.704 20 0 DFADHO COC(=O)c1ccccc1CC[N@H+](C)CC[C@H]1CCCCN1C ZINC000187086056 426628649 /nfs/dbraw/zinc/62/86/49/426628649.db2.gz LEBLWQVQWCFBED-QGZVFWFLSA-N 1 3 318.461 2.822 20 0 DFADHO COC(=O)c1ccccc1CC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000187086056 426628654 /nfs/dbraw/zinc/62/86/54/426628654.db2.gz LEBLWQVQWCFBED-QGZVFWFLSA-N 1 3 318.461 2.822 20 0 DFADHO Cc1ccc(C)c([C@H]2CCCN2C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289330408 426629257 /nfs/dbraw/zinc/62/92/57/426629257.db2.gz HQXNOTFPUQQRNF-PKOBYXMFSA-N 1 3 302.462 2.895 20 0 DFADHO Cc1ccc(C)c([C@H]2CCCN2C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000289330408 426629263 /nfs/dbraw/zinc/62/92/63/426629263.db2.gz HQXNOTFPUQQRNF-PKOBYXMFSA-N 1 3 302.462 2.895 20 0 DFADHO CC[NH+](CC)CCOc1ccccc1CNCc1[nH]ncc1C ZINC000290082862 426689209 /nfs/dbraw/zinc/68/92/09/426689209.db2.gz ZCWCHOGKRDEJST-UHFFFAOYSA-N 1 3 316.449 2.729 20 0 DFADHO COC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000188103242 426721381 /nfs/dbraw/zinc/72/13/81/426721381.db2.gz WCHSOJLOADPPQC-IBGZPJMESA-N 1 3 324.509 2.815 20 0 DFADHO COC[C@H](NC1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000188103242 426721385 /nfs/dbraw/zinc/72/13/85/426721385.db2.gz WCHSOJLOADPPQC-IBGZPJMESA-N 1 3 324.509 2.815 20 0 DFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000237548889 426693315 /nfs/dbraw/zinc/69/33/15/426693315.db2.gz RPOAMUVPMFDQKO-MUQADHOPSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000237548889 426693324 /nfs/dbraw/zinc/69/33/24/426693324.db2.gz RPOAMUVPMFDQKO-MUQADHOPSA-N 1 3 317.477 2.559 20 0 DFADHO CC[C@H]1CN(CCn2ccnc2C)CC[N@@H+]1Cc1ccccc1 ZINC000273596313 426694000 /nfs/dbraw/zinc/69/40/00/426694000.db2.gz KIVMYFXLXYAFPU-IBGZPJMESA-N 1 3 312.461 2.788 20 0 DFADHO CC[C@H]1CN(CCn2ccnc2C)CC[N@H+]1Cc1ccccc1 ZINC000273596313 426694006 /nfs/dbraw/zinc/69/40/06/426694006.db2.gz KIVMYFXLXYAFPU-IBGZPJMESA-N 1 3 312.461 2.788 20 0 DFADHO CC[C@H]1C[N@H+](CCn2ccnc2C)CCN1Cc1ccccc1 ZINC000273596313 426694012 /nfs/dbraw/zinc/69/40/12/426694012.db2.gz KIVMYFXLXYAFPU-IBGZPJMESA-N 1 3 312.461 2.788 20 0 DFADHO CC[C@H]1C[N@@H+](CCn2ccnc2C)CCN1Cc1ccccc1 ZINC000273596313 426694018 /nfs/dbraw/zinc/69/40/18/426694018.db2.gz KIVMYFXLXYAFPU-IBGZPJMESA-N 1 3 312.461 2.788 20 0 DFADHO Cc1ccc(-c2ccc(CNCC3(O)CC[NH+](C)CC3)o2)cc1 ZINC000265819635 426696953 /nfs/dbraw/zinc/69/69/53/426696953.db2.gz AQZYQECEJPZWRO-UHFFFAOYSA-N 1 3 314.429 2.801 20 0 DFADHO [NH3+]CCCCCCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000237972284 426701378 /nfs/dbraw/zinc/70/13/78/426701378.db2.gz DNJISIRSPBFEEZ-UHFFFAOYSA-N 1 3 317.477 2.630 20 0 DFADHO N[C@H](CC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000178818228 426701711 /nfs/dbraw/zinc/70/17/11/426701711.db2.gz TZNZLJOSDXGNAF-GOSISDBHSA-N 1 3 315.461 2.553 20 0 DFADHO N[C@H](CC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000178818228 426701713 /nfs/dbraw/zinc/70/17/13/426701713.db2.gz TZNZLJOSDXGNAF-GOSISDBHSA-N 1 3 315.461 2.553 20 0 DFADHO CC(=O)Nc1ccccc1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290445969 426767265 /nfs/dbraw/zinc/76/72/65/426767265.db2.gz MCIIIAAPVCDROP-KRWDZBQOSA-N 1 3 315.461 2.809 20 0 DFADHO Cn1cnc2cc(C[N@@H+]3CC[C@@H](C4CCN(C)CC4)C3)ccc21 ZINC000290530996 426785130 /nfs/dbraw/zinc/78/51/30/426785130.db2.gz QRYNTBJRLPKEIA-QGZVFWFLSA-N 1 3 312.461 2.737 20 0 DFADHO Cn1cnc2cc(C[N@H+]3CC[C@@H](C4CCN(C)CC4)C3)ccc21 ZINC000290530996 426785134 /nfs/dbraw/zinc/78/51/34/426785134.db2.gz QRYNTBJRLPKEIA-QGZVFWFLSA-N 1 3 312.461 2.737 20 0 DFADHO CC1(C)[C@H](NC[C@@H](O)C[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000274263318 426732444 /nfs/dbraw/zinc/73/24/44/426732444.db2.gz KUMSRKWKPMHBOT-KZNAEPCWSA-N 1 3 302.462 2.615 20 0 DFADHO CCCN(CCC[NH+](C)C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000290312194 426739049 /nfs/dbraw/zinc/73/90/49/426739049.db2.gz CGCZBSLDDCKBNO-UHFFFAOYSA-N 1 3 315.465 2.739 20 0 DFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000290359986 426749230 /nfs/dbraw/zinc/74/92/30/426749230.db2.gz JOYCDFSRVASQNI-OAHLLOKOSA-N 1 3 320.481 2.990 20 0 DFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000290359986 426749232 /nfs/dbraw/zinc/74/92/32/426749232.db2.gz JOYCDFSRVASQNI-OAHLLOKOSA-N 1 3 320.481 2.990 20 0 DFADHO Cc1cc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000274355043 426750740 /nfs/dbraw/zinc/75/07/40/426750740.db2.gz LPAFUGNXXMYVHU-HOTGVXAUSA-N 1 3 303.450 2.716 20 0 DFADHO COCc1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000290664213 426815175 /nfs/dbraw/zinc/81/51/75/426815175.db2.gz ZXCWZDVYNNGNDH-IBGZPJMESA-N 1 3 302.462 2.997 20 0 DFADHO COCc1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000290664213 426815180 /nfs/dbraw/zinc/81/51/80/426815180.db2.gz ZXCWZDVYNNGNDH-IBGZPJMESA-N 1 3 302.462 2.997 20 0 DFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC000246302928 426818214 /nfs/dbraw/zinc/81/82/14/426818214.db2.gz ARRADPMDIJOXLM-ROUUACIJSA-N 1 3 323.525 2.735 20 0 DFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC000246302928 426818219 /nfs/dbraw/zinc/81/82/19/426818219.db2.gz ARRADPMDIJOXLM-ROUUACIJSA-N 1 3 323.525 2.735 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1(C)C ZINC000282141660 426837866 /nfs/dbraw/zinc/83/78/66/426837866.db2.gz CCCMWIWUFJMWMQ-RTBURBONSA-N 1 3 315.505 2.938 20 0 DFADHO C[C@@H](CC[NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000282167521 426844757 /nfs/dbraw/zinc/84/47/57/426844757.db2.gz DTAOSWWRIQQZCO-KRWDZBQOSA-N 1 3 303.494 2.796 20 0 DFADHO C[C@H](CC(N)=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000267285572 426863966 /nfs/dbraw/zinc/86/39/66/426863966.db2.gz WIXUWDRDIOUIKE-OAHLLOKOSA-N 1 3 317.477 2.805 20 0 DFADHO C[C@H](CC(N)=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000267285572 426863969 /nfs/dbraw/zinc/86/39/69/426863969.db2.gz WIXUWDRDIOUIKE-OAHLLOKOSA-N 1 3 317.477 2.805 20 0 DFADHO CN1CCN(CC[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1(C)C ZINC000282267380 426866069 /nfs/dbraw/zinc/86/60/69/426866069.db2.gz KIAUKCVFRJCNLI-GOSISDBHSA-N 1 3 319.468 2.819 20 0 DFADHO COc1ccccc1N1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000246851236 426872590 /nfs/dbraw/zinc/87/25/90/426872590.db2.gz CAVRXJXFPKIDMT-WCXIOVBPSA-N 1 3 317.477 2.592 20 0 DFADHO COc1ccccc1N1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000246851236 426872597 /nfs/dbraw/zinc/87/25/97/426872597.db2.gz CAVRXJXFPKIDMT-WCXIOVBPSA-N 1 3 317.477 2.592 20 0 DFADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc(OCCN(C)C)cc1 ZINC000305106342 426878995 /nfs/dbraw/zinc/87/89/95/426878995.db2.gz DDENMNBBNKOYIB-IEZWGBDMSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@@](O)(C[NH2+]C1CCN(C2CCCC2)CC1)c1ccsc1 ZINC000305192846 426895830 /nfs/dbraw/zinc/89/58/30/426895830.db2.gz YPXXRSMMCGRNCV-QGZVFWFLSA-N 1 3 308.491 2.952 20 0 DFADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000323623271 426974735 /nfs/dbraw/zinc/97/47/35/426974735.db2.gz DCDZKBSMMSABNN-PXNSSMCTSA-N 1 3 315.505 2.623 20 0 DFADHO CN(CCN1CC[C@H](C[NH+]2CCCC2)C1)Cc1ccc(F)cc1 ZINC000181714226 426975976 /nfs/dbraw/zinc/97/59/76/426975976.db2.gz YBFRFTKTVMKSFK-GOSISDBHSA-N 1 3 319.468 2.675 20 0 DFADHO COc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1Br ZINC000291782618 426986152 /nfs/dbraw/zinc/98/61/52/426986152.db2.gz UZQMZLBJTAHSFJ-NSHDSACASA-N 1 3 315.255 2.745 20 0 DFADHO CC(C)Oc1ccccc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000268436544 427016765 /nfs/dbraw/zinc/01/67/65/427016765.db2.gz QDVJWBAXCUKVCF-UHFFFAOYSA-N 1 3 320.477 2.799 20 0 DFADHO CCC[NH+]1CCC(N(C)C[C@@H](O)CCc2ccccc2)CC1 ZINC000182438403 427075166 /nfs/dbraw/zinc/07/51/66/427075166.db2.gz NMGSGYXTPKBOSA-IBGZPJMESA-N 1 3 304.478 2.786 20 0 DFADHO CN1CCC(N2CCC([NH2+][C@H]3CC[C@@H]3C3CCC3)CC2)CC1 ZINC000338000994 427085119 /nfs/dbraw/zinc/08/51/19/427085119.db2.gz SROZVRXWEJFLMS-MOPGFXCFSA-N 1 3 305.510 2.713 20 0 DFADHO CC[NH+]1CCC(N[C@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268697852 427093226 /nfs/dbraw/zinc/09/32/26/427093226.db2.gz AFEBDSYFXGSZNC-MRXNPFEDSA-N 1 3 317.477 2.658 20 0 DFADHO C[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000249282433 427104262 /nfs/dbraw/zinc/10/42/62/427104262.db2.gz HCCWLAYELHOBGS-SJLPKXTDSA-N 1 3 317.477 2.528 20 0 DFADHO C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000249282433 427104271 /nfs/dbraw/zinc/10/42/71/427104271.db2.gz HCCWLAYELHOBGS-SJLPKXTDSA-N 1 3 317.477 2.528 20 0 DFADHO CC(C)NC(=O)CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268736317 427106682 /nfs/dbraw/zinc/10/66/82/427106682.db2.gz BQYWMOHNGTVPMM-WMZOPIPTSA-N 1 3 317.477 2.544 20 0 DFADHO CC(C)NC(=O)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268736317 427106688 /nfs/dbraw/zinc/10/66/88/427106688.db2.gz BQYWMOHNGTVPMM-WMZOPIPTSA-N 1 3 317.477 2.544 20 0 DFADHO CC[NH+](CC)CCCN1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000283999009 427113417 /nfs/dbraw/zinc/11/34/17/427113417.db2.gz DNADIEBIKSRYFG-LJQANCHMSA-N 1 3 303.494 2.577 20 0 DFADHO CC[NH+](CC)CCOc1ccccc1CN[C@H](C)[C@@H](C)OC ZINC000268789660 427115762 /nfs/dbraw/zinc/11/57/62/427115762.db2.gz UIALZYJAXCYZGP-HZPDHXFCSA-N 1 3 308.466 2.920 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000268799202 427120887 /nfs/dbraw/zinc/12/08/87/427120887.db2.gz XVZNWRKZQRATAS-QRVBRYPASA-N 1 3 320.452 2.990 20 0 DFADHO COCC[C@H](Cc1cccc(F)c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000268799202 427120893 /nfs/dbraw/zinc/12/08/93/427120893.db2.gz XVZNWRKZQRATAS-QRVBRYPASA-N 1 3 320.452 2.990 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000268802785 427122725 /nfs/dbraw/zinc/12/27/25/427122725.db2.gz HXFRMGPBLKINQV-HOTGVXAUSA-N 1 3 317.477 2.533 20 0 DFADHO CNC(=O)C[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000268802785 427122728 /nfs/dbraw/zinc/12/27/28/427122728.db2.gz HXFRMGPBLKINQV-HOTGVXAUSA-N 1 3 317.477 2.533 20 0 DFADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C(C)(C)C ZINC000268831996 427133637 /nfs/dbraw/zinc/13/36/37/427133637.db2.gz SLEWLONOBJQIHP-INIZCTEOSA-N 1 3 304.482 2.618 20 0 DFADHO C[N@@H+]1CC[C@]2(CCN(C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220668 427137009 /nfs/dbraw/zinc/13/70/09/427137009.db2.gz UWLVGXHKBJTFNP-RTWAWAEBSA-N 1 3 324.468 2.771 20 0 DFADHO C[N@H+]1CC[C@]2(CCN(C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220668 427137014 /nfs/dbraw/zinc/13/70/14/427137014.db2.gz UWLVGXHKBJTFNP-RTWAWAEBSA-N 1 3 324.468 2.771 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)CC2 ZINC000162602393 271085048 /nfs/dbraw/zinc/08/50/48/271085048.db2.gz CIEQWQVUBWLBIU-YJBOKZPZSA-N 1 3 302.462 2.874 20 0 DFADHO CC[C@H](CNC1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC000227719290 271237868 /nfs/dbraw/zinc/23/78/68/271237868.db2.gz UWXHJJKTWRFLRP-CQSZACIVSA-N 1 3 313.486 2.752 20 0 DFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000338170969 427168953 /nfs/dbraw/zinc/16/89/53/427168953.db2.gz BKRJRGXPWBVTSX-CRAIPNDOSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000248971732 271264079 /nfs/dbraw/zinc/26/40/79/271264079.db2.gz DIRNCPWXEYFZOT-XYJFISCASA-N 1 3 317.477 2.559 20 0 DFADHO COc1ncc([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)cc1Cl ZINC000284288135 427175544 /nfs/dbraw/zinc/17/55/44/427175544.db2.gz KCIULMSDAZVMAS-NWDGAFQWSA-N 1 3 309.841 2.879 20 0 DFADHO CC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)COC1 ZINC000183141351 427211392 /nfs/dbraw/zinc/21/13/92/427211392.db2.gz BXRDSAIHPOVZNF-CEXWTWQISA-N 1 3 314.473 2.913 20 0 DFADHO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000183345746 427251184 /nfs/dbraw/zinc/25/11/84/427251184.db2.gz LXXUNFUXYHJLLV-NVXWUHKLSA-N 1 3 306.450 2.847 20 0 DFADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293308066 427283436 /nfs/dbraw/zinc/28/34/36/427283436.db2.gz IBUZCZJWFNCNHM-OAHLLOKOSA-N 1 3 303.450 2.525 20 0 DFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1CCCCCC1 ZINC000338394747 427300449 /nfs/dbraw/zinc/30/04/49/427300449.db2.gz GDLVYQOBTSAKMN-GOSISDBHSA-N 1 3 323.525 2.831 20 0 DFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1CCCCCC1 ZINC000338394747 427300452 /nfs/dbraw/zinc/30/04/52/427300452.db2.gz GDLVYQOBTSAKMN-GOSISDBHSA-N 1 3 323.525 2.831 20 0 DFADHO C[C@H](CCCC[NH3+])NC(=O)c1cccc(CN2CCCC2)c1 ZINC000293413779 427317362 /nfs/dbraw/zinc/31/73/62/427317362.db2.gz NGVRIIVCTYNRNX-OAHLLOKOSA-N 1 3 303.450 2.530 20 0 DFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC000191599661 427384530 /nfs/dbraw/zinc/38/45/30/427384530.db2.gz GWUPHUJEUKFRDS-IBGZPJMESA-N 1 3 316.493 2.635 20 0 DFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC000191599661 427384534 /nfs/dbraw/zinc/38/45/34/427384534.db2.gz GWUPHUJEUKFRDS-IBGZPJMESA-N 1 3 316.493 2.635 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1cccc(C(F)(F)F)n1 ZINC000293635029 427390888 /nfs/dbraw/zinc/39/08/88/427390888.db2.gz GUTIYFXLAXKEBD-BZPMIXESSA-N 1 3 315.383 2.961 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1cccc(C(F)(F)F)n1 ZINC000293635029 427390894 /nfs/dbraw/zinc/39/08/94/427390894.db2.gz GUTIYFXLAXKEBD-BZPMIXESSA-N 1 3 315.383 2.961 20 0 DFADHO CC[NH+](CC)CCCN1CC[C@H](CNc2cccc(C)n2)C1 ZINC000191504496 427365483 /nfs/dbraw/zinc/36/54/83/427365483.db2.gz RMLHFABWVPGYLL-QGZVFWFLSA-N 1 3 304.482 2.856 20 0 DFADHO C[C@H](C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)CN(C)C ZINC000293824179 427449670 /nfs/dbraw/zinc/44/96/70/427449670.db2.gz WFXFLTZEVQNURH-ZIAGYGMSSA-N 1 3 318.465 2.819 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H](C)CN(C)C ZINC000293824260 427451122 /nfs/dbraw/zinc/45/11/22/427451122.db2.gz WGWRKEFWMHSBLK-QWHCGFSZSA-N 1 3 311.857 2.844 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NC[C@H](C)C[NH+](C)C ZINC000293824260 427451130 /nfs/dbraw/zinc/45/11/30/427451130.db2.gz WGWRKEFWMHSBLK-QWHCGFSZSA-N 1 3 311.857 2.844 20 0 DFADHO Cc1c[nH+]ccc1N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000191980323 427455799 /nfs/dbraw/zinc/45/57/99/427455799.db2.gz FBXBHGFVHYBOHX-IYBDPMFKSA-N 1 3 303.450 2.716 20 0 DFADHO COC[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000297790254 427456793 /nfs/dbraw/zinc/45/67/93/427456793.db2.gz WTYDRUJYJUFMET-MRXNPFEDSA-N 1 3 301.390 2.621 20 0 DFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccccc1-n1ccnn1 ZINC000286227385 427462031 /nfs/dbraw/zinc/46/20/31/427462031.db2.gz SRRNNYDBFSZZQD-ARFHVFGLSA-N 1 3 313.449 2.791 20 0 DFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@H](N)c1ccccc1 ZINC000263365611 427471792 /nfs/dbraw/zinc/47/17/92/427471792.db2.gz VXRKPDXPELYZBF-AEFFLSMTSA-N 1 3 317.477 2.847 20 0 DFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H](N)c1ccccc1 ZINC000263365611 427471799 /nfs/dbraw/zinc/47/17/99/427471799.db2.gz VXRKPDXPELYZBF-AEFFLSMTSA-N 1 3 317.477 2.847 20 0 DFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000338775849 427483272 /nfs/dbraw/zinc/48/32/72/427483272.db2.gz QWBOSVPEKUAHFU-DJIMGWMZSA-N 1 3 321.509 2.676 20 0 DFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000338775849 427483274 /nfs/dbraw/zinc/48/32/74/427483274.db2.gz QWBOSVPEKUAHFU-DJIMGWMZSA-N 1 3 321.509 2.676 20 0 DFADHO C[C@H]1C[C@@H](CC[NH2+]C2CCN(c3ccncc3)CC2)CCO1 ZINC000297698002 427433902 /nfs/dbraw/zinc/43/39/02/427433902.db2.gz QFOBWRPLHMJGPC-HOTGVXAUSA-N 1 3 303.450 2.845 20 0 DFADHO Cc1cncc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184325327 427437695 /nfs/dbraw/zinc/43/76/95/427437695.db2.gz JYERLNJRTNSYEV-BBWFWOEESA-N 1 3 305.466 2.930 20 0 DFADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1OC ZINC000293815202 427447063 /nfs/dbraw/zinc/44/70/63/427447063.db2.gz VTJQGOKTGYZFLS-KFWWJZLASA-N 1 3 308.466 2.983 20 0 DFADHO COCC[N@H+](C)CCCC1CCN([C@H](C)c2cnccn2)CC1 ZINC000184704739 427521936 /nfs/dbraw/zinc/52/19/36/427521936.db2.gz NLTUAXNGUQOWAN-MRXNPFEDSA-N 1 3 320.481 2.608 20 0 DFADHO COCC[N@@H+](C)CCCC1CCN([C@H](C)c2cnccn2)CC1 ZINC000184704739 427521942 /nfs/dbraw/zinc/52/19/42/427521942.db2.gz NLTUAXNGUQOWAN-MRXNPFEDSA-N 1 3 320.481 2.608 20 0 DFADHO CC1(C)C[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])c2cc(N)ccc2O1 ZINC000332190384 427539678 /nfs/dbraw/zinc/53/96/78/427539678.db2.gz CIWFSRHFFLBLTJ-MAZHCROVSA-N 1 3 303.450 2.978 20 0 DFADHO Cc1n[nH]cc1CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000271450603 427541141 /nfs/dbraw/zinc/54/11/41/427541141.db2.gz FRTIVNGSVICAMC-ZDUSSCGKSA-N 1 3 302.422 2.509 20 0 DFADHO COC[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C)o1 ZINC000294083649 427541739 /nfs/dbraw/zinc/54/17/39/427541739.db2.gz AMKDSMMSLITEAS-KRWDZBQOSA-N 1 3 315.417 2.929 20 0 DFADHO Cc1ccn2cc(CNC3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000298470354 427620359 /nfs/dbraw/zinc/62/03/59/427620359.db2.gz OWTXWFXVAJVZKH-UHFFFAOYSA-N 1 3 321.428 2.796 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(COC)cc2)C1 ZINC000339008934 427622518 /nfs/dbraw/zinc/62/25/18/427622518.db2.gz CMLKPVUBHKKNAO-LJQANCHMSA-N 1 3 320.477 2.766 20 0 DFADHO Cc1ccc2c(c1)[C@H](NC1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CC2 ZINC000271485086 427558140 /nfs/dbraw/zinc/55/81/40/427558140.db2.gz JORIRVZXUZRQRW-HSALFYBXSA-N 1 3 314.473 2.950 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1C ZINC000339009700 427622741 /nfs/dbraw/zinc/62/27/41/427622741.db2.gz GKXCITQSJHMAEP-JLSDUUJJSA-N 1 3 308.441 2.534 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1C ZINC000339009700 427622744 /nfs/dbraw/zinc/62/27/44/427622744.db2.gz GKXCITQSJHMAEP-JLSDUUJJSA-N 1 3 308.441 2.534 20 0 DFADHO C[C@@H]1Cc2ccccc2[C@@H]1NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000271513515 427565251 /nfs/dbraw/zinc/56/52/51/427565251.db2.gz ODJMHFBOUSADMA-LMFCIFFHSA-N 1 3 314.473 2.887 20 0 DFADHO COc1ccccc1[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000271524071 427571563 /nfs/dbraw/zinc/57/15/63/427571563.db2.gz PVULXHYMCRSZII-JCGIZDLHSA-N 1 3 318.461 2.724 20 0 DFADHO O[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1cccc(F)c1 ZINC000298324499 427571726 /nfs/dbraw/zinc/57/17/26/427571726.db2.gz INLXUSBWSJXNOS-GOSISDBHSA-N 1 3 315.392 2.513 20 0 DFADHO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cccc(OCCN(C)C)c1 ZINC000271538387 427578901 /nfs/dbraw/zinc/57/89/01/427578901.db2.gz YAUIZUDYHBQXBZ-JKSUJKDBSA-N 1 3 316.449 2.563 20 0 DFADHO C[C@@H](N[C@@H](C)Cn1cccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000271538387 427578905 /nfs/dbraw/zinc/57/89/05/427578905.db2.gz YAUIZUDYHBQXBZ-JKSUJKDBSA-N 1 3 316.449 2.563 20 0 DFADHO COc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1F ZINC000298380981 427590310 /nfs/dbraw/zinc/59/03/10/427590310.db2.gz LAUHOPWCYFHZJX-UHFFFAOYSA-N 1 3 315.392 2.988 20 0 DFADHO Cc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000192773599 427608513 /nfs/dbraw/zinc/60/85/13/427608513.db2.gz JECIWFKRRSCDJR-IPQPSQTFSA-N 1 3 301.478 2.813 20 0 DFADHO Cc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000192773599 427608516 /nfs/dbraw/zinc/60/85/16/427608516.db2.gz JECIWFKRRSCDJR-IPQPSQTFSA-N 1 3 301.478 2.813 20 0 DFADHO Cc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)N(C)C)cc1 ZINC000192773599 427608518 /nfs/dbraw/zinc/60/85/18/427608518.db2.gz JECIWFKRRSCDJR-IPQPSQTFSA-N 1 3 301.478 2.813 20 0 DFADHO CC(C)[NH+]1CCN(CCCN2CCc3ccc(F)cc3C2)CC1 ZINC000192773827 427609504 /nfs/dbraw/zinc/60/95/04/427609504.db2.gz LUNBDRCZLISRJA-UHFFFAOYSA-N 1 3 319.468 2.600 20 0 DFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000263989392 427625955 /nfs/dbraw/zinc/62/59/55/427625955.db2.gz FTUKMMZIXAZYMJ-GOSISDBHSA-N 1 3 317.477 2.695 20 0 DFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000263989392 427625963 /nfs/dbraw/zinc/62/59/63/427625963.db2.gz FTUKMMZIXAZYMJ-GOSISDBHSA-N 1 3 317.477 2.695 20 0 DFADHO CC(C)Oc1ccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000192873219 427627870 /nfs/dbraw/zinc/62/78/70/427627870.db2.gz JRYJTEBUEXXEAR-RGPMPMONSA-N 1 3 318.461 2.722 20 0 DFADHO Cc1c(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cnn1C ZINC000272183555 427665405 /nfs/dbraw/zinc/66/54/05/427665405.db2.gz KRAMTENQFKGFRN-YJBOKZPZSA-N 1 3 312.461 2.729 20 0 DFADHO C[C@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)C1CCCCC1 ZINC000339034535 427637307 /nfs/dbraw/zinc/63/73/07/427637307.db2.gz ZDWMZHOXDDTZSX-MRXNPFEDSA-N 1 3 323.525 2.593 20 0 DFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000185416109 427649762 /nfs/dbraw/zinc/64/97/62/427649762.db2.gz JRYUNCMKNIEQPZ-MRXNPFEDSA-N 1 3 317.477 2.743 20 0 DFADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000342695143 272043164 /nfs/dbraw/zinc/04/31/64/272043164.db2.gz OTVBLUCRFOOYAM-YJBOKZPZSA-N 1 3 315.461 2.999 20 0 DFADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N[C@H](C)CC)CC1 ZINC000343045774 272079015 /nfs/dbraw/zinc/07/90/15/272079015.db2.gz OFJVFKXFINQVBJ-HZPDHXFCSA-N 1 3 311.514 2.734 20 0 DFADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N[C@H](C)CC)CC1 ZINC000343045774 272079017 /nfs/dbraw/zinc/07/90/17/272079017.db2.gz OFJVFKXFINQVBJ-HZPDHXFCSA-N 1 3 311.514 2.734 20 0 DFADHO C[N@H+](CCCN1CCCC1)Cc1cc(-n2ccnc2)cs1 ZINC000343608232 272183152 /nfs/dbraw/zinc/18/31/52/272183152.db2.gz UPWMXVNFADNGEZ-UHFFFAOYSA-N 1 3 304.463 2.852 20 0 DFADHO C[N@@H+](CCCN1CCCC1)Cc1cc(-n2ccnc2)cs1 ZINC000343608232 272183154 /nfs/dbraw/zinc/18/31/54/272183154.db2.gz UPWMXVNFADNGEZ-UHFFFAOYSA-N 1 3 304.463 2.852 20 0 DFADHO C[C@@H](c1cccc(F)c1)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343730539 272209520 /nfs/dbraw/zinc/20/95/20/272209520.db2.gz OLNUXJWITQRVDX-HOTGVXAUSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@@H](c1cccc(F)c1)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343730539 272209522 /nfs/dbraw/zinc/20/95/22/272209522.db2.gz OLNUXJWITQRVDX-HOTGVXAUSA-N 1 3 319.468 2.987 20 0 DFADHO C[C@@H](c1cccc(F)c1)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343730539 272209525 /nfs/dbraw/zinc/20/95/25/272209525.db2.gz OLNUXJWITQRVDX-HOTGVXAUSA-N 1 3 319.468 2.987 20 0 DFADHO Cc1nn(C)cc1C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272239848 427680707 /nfs/dbraw/zinc/68/07/07/427680707.db2.gz WIEWOADNOFKVLG-QAPCUYQASA-N 1 3 312.461 2.729 20 0 DFADHO CCN1C[C@H]([NH2+]CC2CCN(Cc3cccs3)CC2)[C@@H](C)C1 ZINC000343990458 272248055 /nfs/dbraw/zinc/24/80/55/272248055.db2.gz UXIAGRSXUTXWBG-YJBOKZPZSA-N 1 3 321.534 2.890 20 0 DFADHO CN(C)[C@@H]1CCC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287779720 427691381 /nfs/dbraw/zinc/69/13/81/427691381.db2.gz NIQXZEUZFQEABD-IAGOWNOFSA-N 1 3 310.869 2.660 20 0 DFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287779720 427691390 /nfs/dbraw/zinc/69/13/90/427691390.db2.gz NIQXZEUZFQEABD-IAGOWNOFSA-N 1 3 310.869 2.660 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295103112 427694610 /nfs/dbraw/zinc/69/46/10/427694610.db2.gz VGOLUDVCXXGYIU-MGNMYUMUSA-N 1 3 315.461 2.927 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295103112 427694613 /nfs/dbraw/zinc/69/46/13/427694613.db2.gz VGOLUDVCXXGYIU-MGNMYUMUSA-N 1 3 315.461 2.927 20 0 DFADHO C[C@@H]1C[C@H](N(C)C[C@H](O)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000287921918 427716372 /nfs/dbraw/zinc/71/63/72/427716372.db2.gz WDEJOYGGUMWLPD-KBRIMQKVSA-N 1 3 310.869 2.658 20 0 DFADHO C[C@@H]1C[C@H](N(C)C[C@H](O)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000287921918 427716376 /nfs/dbraw/zinc/71/63/76/427716376.db2.gz WDEJOYGGUMWLPD-KBRIMQKVSA-N 1 3 310.869 2.658 20 0 DFADHO Cc1nccn1CCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000336854365 427760179 /nfs/dbraw/zinc/76/01/79/427760179.db2.gz DTTOQKRFXJPDIJ-WMZOPIPTSA-N 1 3 304.482 2.778 20 0 DFADHO Cc1nccn1CCN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000336854365 427760181 /nfs/dbraw/zinc/76/01/81/427760181.db2.gz DTTOQKRFXJPDIJ-WMZOPIPTSA-N 1 3 304.482 2.778 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000299272638 427764422 /nfs/dbraw/zinc/76/44/22/427764422.db2.gz UXDQVNFLNYBQHF-GOEBONIOSA-N 1 3 305.466 2.572 20 0 DFADHO CCc1cc(OC)ccc1CN1CCC(OCCC[NH3+])CC1 ZINC000339405683 427769311 /nfs/dbraw/zinc/76/93/11/427769311.db2.gz BOZLPNWIXRNGCP-UHFFFAOYSA-N 1 3 306.450 2.587 20 0 DFADHO C[C@@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000339439577 427775889 /nfs/dbraw/zinc/77/58/89/427775889.db2.gz XAKCBIWQGXEAPY-ZACQAIPSSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000339439577 427775890 /nfs/dbraw/zinc/77/58/90/427775890.db2.gz XAKCBIWQGXEAPY-ZACQAIPSSA-N 1 3 321.509 2.582 20 0 DFADHO Cc1nc(C(C)C)ccc1CN(C)CCC[N@H+](C)CCN(C)C ZINC000339205075 427732261 /nfs/dbraw/zinc/73/22/61/427732261.db2.gz MLQSDBGJQXVEDS-UHFFFAOYSA-N 1 3 320.525 2.829 20 0 DFADHO Cc1nc(C(C)C)ccc1CN(C)CCC[N@@H+](C)CCN(C)C ZINC000339205075 427732265 /nfs/dbraw/zinc/73/22/65/427732265.db2.gz MLQSDBGJQXVEDS-UHFFFAOYSA-N 1 3 320.525 2.829 20 0 DFADHO Cc1nccn1CC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336714898 427747914 /nfs/dbraw/zinc/74/79/14/427747914.db2.gz OCAOYMGRCKPBAR-IBGZPJMESA-N 1 3 312.461 2.645 20 0 DFADHO Cc1nccn1CC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336714898 427747917 /nfs/dbraw/zinc/74/79/17/427747917.db2.gz OCAOYMGRCKPBAR-IBGZPJMESA-N 1 3 312.461 2.645 20 0 DFADHO Cc1nccn1CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336714898 427747919 /nfs/dbraw/zinc/74/79/19/427747919.db2.gz OCAOYMGRCKPBAR-IBGZPJMESA-N 1 3 312.461 2.645 20 0 DFADHO Cc1nccn1CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336714898 427747922 /nfs/dbraw/zinc/74/79/22/427747922.db2.gz OCAOYMGRCKPBAR-IBGZPJMESA-N 1 3 312.461 2.645 20 0 DFADHO Cc1ccccc1NC(=O)CC[N@H+](C)CCCN1CCCC1 ZINC000337281879 427830985 /nfs/dbraw/zinc/83/09/85/427830985.db2.gz WTGKITUEBGRRRV-UHFFFAOYSA-N 1 3 303.450 2.741 20 0 DFADHO Cc1ccccc1NC(=O)CC[N@@H+](C)CCCN1CCCC1 ZINC000337281879 427830987 /nfs/dbraw/zinc/83/09/87/427830987.db2.gz WTGKITUEBGRRRV-UHFFFAOYSA-N 1 3 303.450 2.741 20 0 DFADHO CC(C)OC[C@@H](C)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000337325028 427845328 /nfs/dbraw/zinc/84/53/28/427845328.db2.gz BQRCQGFCGWACOQ-IEBWSBKVSA-N 1 3 304.478 2.954 20 0 DFADHO CC(C)OC[C@@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000337325028 427845332 /nfs/dbraw/zinc/84/53/32/427845332.db2.gz BQRCQGFCGWACOQ-IEBWSBKVSA-N 1 3 304.478 2.954 20 0 DFADHO CN(C)c1ccccc1C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000339845790 427849057 /nfs/dbraw/zinc/84/90/57/427849057.db2.gz JAHOGKPYFSSLIK-KRWDZBQOSA-N 1 3 301.478 2.916 20 0 DFADHO CN(C)c1ccccc1C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000339845790 427849060 /nfs/dbraw/zinc/84/90/60/427849060.db2.gz JAHOGKPYFSSLIK-KRWDZBQOSA-N 1 3 301.478 2.916 20 0 DFADHO CC[C@H](Cn1cncn1)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000340535788 427875118 /nfs/dbraw/zinc/87/51/18/427875118.db2.gz RNDIFCLYLLBYFW-FUHWJXTLSA-N 1 3 315.465 2.557 20 0 DFADHO CC[C@H](Cn1cncn1)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340535788 427875120 /nfs/dbraw/zinc/87/51/20/427875120.db2.gz RNDIFCLYLLBYFW-FUHWJXTLSA-N 1 3 315.465 2.557 20 0 DFADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337427259 427901719 /nfs/dbraw/zinc/90/17/19/427901719.db2.gz BRGSXZXXVFLDGX-SJORKVTESA-N 1 3 316.493 2.883 20 0 DFADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337427259 427901724 /nfs/dbraw/zinc/90/17/24/427901724.db2.gz BRGSXZXXVFLDGX-SJORKVTESA-N 1 3 316.493 2.883 20 0 DFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337427259 427901730 /nfs/dbraw/zinc/90/17/30/427901730.db2.gz BRGSXZXXVFLDGX-SJORKVTESA-N 1 3 316.493 2.883 20 0 DFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337427259 427901734 /nfs/dbraw/zinc/90/17/34/427901734.db2.gz BRGSXZXXVFLDGX-SJORKVTESA-N 1 3 316.493 2.883 20 0 DFADHO OCc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000303549666 427905383 /nfs/dbraw/zinc/90/53/83/427905383.db2.gz FFSNJLVGJCZBGZ-UHFFFAOYSA-N 1 3 310.441 2.933 20 0 DFADHO CC[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)N(CC)CC ZINC000345790794 427907740 /nfs/dbraw/zinc/90/77/40/427907740.db2.gz FTAMJQSNVMRJEF-QGZVFWFLSA-N 1 3 311.514 2.735 20 0 DFADHO CC[C@H](C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1)N(CC)CC ZINC000345790905 427908964 /nfs/dbraw/zinc/90/89/64/427908964.db2.gz HHVSNXUWPCRTFR-MWDXBVQZSA-N 1 3 311.514 2.589 20 0 DFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000355823689 427909248 /nfs/dbraw/zinc/90/92/48/427909248.db2.gz YXUZNICJNUBNEP-HZPDHXFCSA-N 1 3 317.477 2.741 20 0 DFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000355823689 427909252 /nfs/dbraw/zinc/90/92/52/427909252.db2.gz YXUZNICJNUBNEP-HZPDHXFCSA-N 1 3 317.477 2.741 20 0 DFADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000337469991 427920488 /nfs/dbraw/zinc/92/04/88/427920488.db2.gz NEEIEGLOBKNXAR-XSLAGTTESA-N 1 3 312.498 2.671 20 0 DFADHO COCC[C@@H]1CCC[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000337469992 427920813 /nfs/dbraw/zinc/92/08/13/427920813.db2.gz NEEIEGLOBKNXAR-XWTMOSNGSA-N 1 3 312.498 2.671 20 0 DFADHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)[C@@]1(C)CCCO1 ZINC000340212674 427956440 /nfs/dbraw/zinc/95/64/40/427956440.db2.gz IZVFGBZUAHCAME-CRAIPNDOSA-N 1 3 306.450 2.674 20 0 DFADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc2c(c1)CCCC2 ZINC000341033214 427975362 /nfs/dbraw/zinc/97/53/62/427975362.db2.gz KMSQMHLBGXMDNC-KXBFYZLASA-N 1 3 302.462 2.673 20 0 DFADHO CCN1CC[C@H](C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000340188862 427951193 /nfs/dbraw/zinc/95/11/93/427951193.db2.gz QNRKMVFADNEHJW-NEWSRXKRSA-N 1 3 301.478 2.753 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000346186089 428057730 /nfs/dbraw/zinc/05/77/30/428057730.db2.gz HHXFKNBCIAHBAF-HOTGVXAUSA-N 1 3 317.481 2.736 20 0 DFADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000346186089 428057736 /nfs/dbraw/zinc/05/77/36/428057736.db2.gz HHXFKNBCIAHBAF-HOTGVXAUSA-N 1 3 317.481 2.736 20 0 DFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(C)nc2C)C1 ZINC000359878371 428058250 /nfs/dbraw/zinc/05/82/50/428058250.db2.gz PCXJCJOMIVYMOX-SFHVURJKSA-N 1 3 305.466 2.631 20 0 DFADHO C[N@@H+]1CC[C@@H](NCCOC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340364930 428001630 /nfs/dbraw/zinc/00/16/30/428001630.db2.gz GDRJHVYORVLJBL-ZIAGYGMSSA-N 1 3 302.340 2.948 20 0 DFADHO C[N@H+]1CC[C@@H](NCCOC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340364930 428001635 /nfs/dbraw/zinc/00/16/35/428001635.db2.gz GDRJHVYORVLJBL-ZIAGYGMSSA-N 1 3 302.340 2.948 20 0 DFADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000351859264 428112773 /nfs/dbraw/zinc/11/27/73/428112773.db2.gz GEDKBYKBFLLWJK-CRAIPNDOSA-N 1 3 311.429 2.830 20 0 DFADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000351859709 428113285 /nfs/dbraw/zinc/11/32/85/428113285.db2.gz GWVKFFCAFKDHCK-YJBOKZPZSA-N 1 3 311.429 2.830 20 0 DFADHO C[C@@H]([NH3+])[C@H]1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000351860495 428114012 /nfs/dbraw/zinc/11/40/12/428114012.db2.gz ISVCTVPWCGDRJJ-YPMHNXCESA-N 1 3 320.824 2.602 20 0 DFADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000351864649 428117055 /nfs/dbraw/zinc/11/70/55/428117055.db2.gz YTBADYOSXAQKJQ-DOTOQJQBSA-N 1 3 311.429 2.830 20 0 DFADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(CO)cc2)CC1 ZINC000352541269 428142487 /nfs/dbraw/zinc/14/24/87/428142487.db2.gz VULLPEDVVQEUMM-UHFFFAOYSA-N 1 3 320.477 2.502 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000346387867 428151426 /nfs/dbraw/zinc/15/14/26/428151426.db2.gz OSQRMTOIHXPNMR-QAPCUYQASA-N 1 3 317.477 2.693 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000346387867 428151428 /nfs/dbraw/zinc/15/14/28/428151428.db2.gz OSQRMTOIHXPNMR-QAPCUYQASA-N 1 3 317.477 2.693 20 0 DFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000341739637 428174859 /nfs/dbraw/zinc/17/48/59/428174859.db2.gz BDEFFAUKQDTYQO-CRAIPNDOSA-N 1 3 315.461 2.809 20 0 DFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000341739637 428174864 /nfs/dbraw/zinc/17/48/64/428174864.db2.gz BDEFFAUKQDTYQO-CRAIPNDOSA-N 1 3 315.461 2.809 20 0 DFADHO CSC1(C[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CCC1 ZINC000356433420 428177092 /nfs/dbraw/zinc/17/70/92/428177092.db2.gz RFXGIDJLEYSETL-KRWDZBQOSA-N 1 3 320.502 2.629 20 0 DFADHO CCCn1nccc1C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000370295868 428178632 /nfs/dbraw/zinc/17/86/32/428178632.db2.gz XSFQZBAFJRXJDM-KRWDZBQOSA-N 1 3 304.482 2.957 20 0 DFADHO Cc1ccc(O)c(CNC[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000377758243 428219204 /nfs/dbraw/zinc/21/92/04/428219204.db2.gz BYOHNZNJLSIGQU-APWZRJJASA-N 1 3 311.429 2.878 20 0 DFADHO Cc1ccc(O)c(CNC[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000377758243 428219207 /nfs/dbraw/zinc/21/92/07/428219207.db2.gz BYOHNZNJLSIGQU-APWZRJJASA-N 1 3 311.429 2.878 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000356528272 428220294 /nfs/dbraw/zinc/22/02/94/428220294.db2.gz BIZQMTNAVUXEAX-HOTGVXAUSA-N 1 3 319.493 2.790 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+]CC(C)(C)CN2CCCC2)cn1 ZINC000414151730 428220512 /nfs/dbraw/zinc/22/05/12/428220512.db2.gz ZCKQIWYNFRUPOO-HNNXBMFYSA-N 1 3 305.466 2.733 20 0 DFADHO COc1ccc(C[C@H](C)NCC(C)(C)C[NH+]2CCCC2)cn1 ZINC000414151730 428220517 /nfs/dbraw/zinc/22/05/17/428220517.db2.gz ZCKQIWYNFRUPOO-HNNXBMFYSA-N 1 3 305.466 2.733 20 0 DFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)C(F)(F)F)[C@H](C)C1 ZINC000346594797 428232256 /nfs/dbraw/zinc/23/22/56/428232256.db2.gz CLBWMZWBKUOEOE-RDBSUJKOSA-N 1 3 310.404 2.911 20 0 DFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)C(F)(F)F)[C@H](C)C1 ZINC000346594797 428232260 /nfs/dbraw/zinc/23/22/60/428232260.db2.gz CLBWMZWBKUOEOE-RDBSUJKOSA-N 1 3 310.404 2.911 20 0 DFADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000377667715 428187069 /nfs/dbraw/zinc/18/70/69/428187069.db2.gz DOTHTAAMCWFKMA-SQNIBIBYSA-N 1 3 305.441 2.645 20 0 DFADHO CC(C)[NH+]1CCC(N[C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000414349131 428265843 /nfs/dbraw/zinc/26/58/43/428265843.db2.gz OVRBQUJZJLOIFW-KRWDZBQOSA-N 1 3 305.441 2.867 20 0 DFADHO C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000370688277 428274773 /nfs/dbraw/zinc/27/47/73/428274773.db2.gz FYCQFESFTCJVSN-DOTOQJQBSA-N 1 3 319.468 2.515 20 0 DFADHO Cc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1C ZINC000370695409 428275523 /nfs/dbraw/zinc/27/55/23/428275523.db2.gz AFFIDKZXOIEKPC-AZUAARDMSA-N 1 3 315.505 2.761 20 0 DFADHO CCC[C@](C)(N)C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370763947 428295131 /nfs/dbraw/zinc/29/51/31/428295131.db2.gz SBVMWAHKOGYJAL-PVARCSIZSA-N 1 3 309.498 2.663 20 0 DFADHO CC[C@H](C)[C@H](N)C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370763277 428295155 /nfs/dbraw/zinc/29/51/55/428295155.db2.gz HXKDXLMAYQBLQD-VLVHBFOGSA-N 1 3 309.498 2.519 20 0 DFADHO COCCOc1cccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000377840136 428242933 /nfs/dbraw/zinc/24/29/33/428242933.db2.gz POYAIGGWTLJFBP-PKOBYXMFSA-N 1 3 318.461 2.628 20 0 DFADHO COCCOc1cccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000377840136 428242937 /nfs/dbraw/zinc/24/29/37/428242937.db2.gz POYAIGGWTLJFBP-PKOBYXMFSA-N 1 3 318.461 2.628 20 0 DFADHO CC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1 ZINC000370623969 428257879 /nfs/dbraw/zinc/25/78/79/428257879.db2.gz DZPZLVOEBXHHIR-PKOBYXMFSA-N 1 3 301.478 2.896 20 0 DFADHO COc1ccccc1OCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000352925668 428314076 /nfs/dbraw/zinc/31/40/76/428314076.db2.gz PXOYRJCODNUOOC-XYPWUTKMSA-N 1 3 304.434 2.631 20 0 DFADHO COc1ccccc1OCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000352925668 428314079 /nfs/dbraw/zinc/31/40/79/428314079.db2.gz PXOYRJCODNUOOC-XYPWUTKMSA-N 1 3 304.434 2.631 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1ccc(F)c(F)c1F ZINC000346801513 428322586 /nfs/dbraw/zinc/32/25/86/428322586.db2.gz SQGYJVUGLKFWKY-SUNKGSAMSA-N 1 3 300.368 2.965 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1ccc(F)c(F)c1F ZINC000346801513 428322592 /nfs/dbraw/zinc/32/25/92/428322592.db2.gz SQGYJVUGLKFWKY-SUNKGSAMSA-N 1 3 300.368 2.965 20 0 DFADHO Cc1ccnc(NC[C@H]2CC[N@@H+](CCN3CCC(C)CC3)C2)c1 ZINC000378167631 428322990 /nfs/dbraw/zinc/32/29/90/428322990.db2.gz BGEUALRJCISRJN-GOSISDBHSA-N 1 3 316.493 2.856 20 0 DFADHO Cc1ccnc(NC[C@H]2CC[N@H+](CCN3CCC(C)CC3)C2)c1 ZINC000378167631 428322993 /nfs/dbraw/zinc/32/29/93/428322993.db2.gz BGEUALRJCISRJN-GOSISDBHSA-N 1 3 316.493 2.856 20 0 DFADHO CCN1CC[C@@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@@H](C)C1 ZINC000378168765 428325270 /nfs/dbraw/zinc/32/52/70/428325270.db2.gz MGUJWKYBKFBHJX-MAUKXSAKSA-N 1 3 316.493 2.679 20 0 DFADHO C[C@](O)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C1CC1 ZINC000356838366 428332005 /nfs/dbraw/zinc/33/20/05/428332005.db2.gz ILTDXSOJMQTPKJ-MDNKFWRPSA-N 1 3 314.473 2.648 20 0 DFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356872833 428342195 /nfs/dbraw/zinc/34/21/95/428342195.db2.gz PHSUAROHTOQYBS-HUUCEWRRSA-N 1 3 321.431 2.866 20 0 DFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356872831 428343594 /nfs/dbraw/zinc/34/35/94/428343594.db2.gz PHSUAROHTOQYBS-CABCVRRESA-N 1 3 321.431 2.866 20 0 DFADHO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c(C)c1OC ZINC000342194159 428343969 /nfs/dbraw/zinc/34/39/69/428343969.db2.gz VRTRIZCEDZZQNL-HZPDHXFCSA-N 1 3 306.450 2.975 20 0 DFADHO CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000360572434 428354655 /nfs/dbraw/zinc/35/46/55/428354655.db2.gz KHHSRUXFIYYZIC-IAGOWNOFSA-N 1 3 316.449 2.609 20 0 DFADHO Cc1ncsc1CN(C)C[C@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414736874 428389911 /nfs/dbraw/zinc/38/99/11/428389911.db2.gz GUIYRSKPEYKKQN-CVEARBPZSA-N 1 3 324.538 2.579 20 0 DFADHO COc1ccc(CC[C@H]2CCCC[N@@H+]2CCCN)cc1OC ZINC000414755490 428395896 /nfs/dbraw/zinc/39/58/96/428395896.db2.gz ZGAGEMJOSBJULB-MRXNPFEDSA-N 1 3 306.450 2.840 20 0 DFADHO COc1ccc(CC[C@H]2CCCC[N@H+]2CCCN)cc1OC ZINC000414755490 428395902 /nfs/dbraw/zinc/39/59/02/428395902.db2.gz ZGAGEMJOSBJULB-MRXNPFEDSA-N 1 3 306.450 2.840 20 0 DFADHO COc1ccc(CC[C@H]2CCCCN2CCC[NH3+])cc1OC ZINC000414755490 428395908 /nfs/dbraw/zinc/39/59/08/428395908.db2.gz ZGAGEMJOSBJULB-MRXNPFEDSA-N 1 3 306.450 2.840 20 0 DFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000414794157 428414232 /nfs/dbraw/zinc/41/42/32/428414232.db2.gz FHGGVECMNXOYOY-JSGCOSHPSA-N 1 3 307.404 2.510 20 0 DFADHO COc1cccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1OC ZINC000414775106 428401118 /nfs/dbraw/zinc/40/11/18/428401118.db2.gz GEZSSASMTFKSMY-GJZGRUSLSA-N 1 3 304.434 2.525 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(OCc2ccccn2)cc1 ZINC000414792575 428412910 /nfs/dbraw/zinc/41/29/10/428412910.db2.gz CJHRXBVRLDMIEV-QFBILLFUSA-N 1 3 311.429 2.878 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc(OCc2ccccn2)c1 ZINC000414791177 428413372 /nfs/dbraw/zinc/41/33/72/428413372.db2.gz HGWDTJXZNTWVMH-APWZRJJASA-N 1 3 311.429 2.878 20 0 DFADHO CN1CCC[C@H]1CC[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360617852 428370831 /nfs/dbraw/zinc/37/08/31/428370831.db2.gz HICPUPXGRHREMC-SFHVURJKSA-N 1 3 320.452 2.679 20 0 DFADHO COc1cc(C)c(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357050328 428374800 /nfs/dbraw/zinc/37/48/00/428374800.db2.gz MEUPZNRFCSAQID-MRXNPFEDSA-N 1 3 318.461 2.834 20 0 DFADHO CC(C)[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(F)c(F)c1 ZINC000342268638 428376680 /nfs/dbraw/zinc/37/66/80/428376680.db2.gz QHDLWTSDHMQNQR-WMLDXEAASA-N 1 3 312.404 2.708 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCC[C@H]1CN ZINC000414794902 428413565 /nfs/dbraw/zinc/41/35/65/428413565.db2.gz GDJGWKBMGNUTEL-TYNCELHUSA-N 1 3 309.841 2.774 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000414794902 428413574 /nfs/dbraw/zinc/41/35/74/428413574.db2.gz GDJGWKBMGNUTEL-TYNCELHUSA-N 1 3 309.841 2.774 20 0 DFADHO CCN(C[C@H]1CC[N@H+](C[C@@H](N)CC(C)C)C1)CC(F)(F)F ZINC000414702566 428381363 /nfs/dbraw/zinc/38/13/63/428381363.db2.gz IQTLRDVBZQYEJU-KGLIPLIRSA-N 1 3 309.420 2.566 20 0 DFADHO CCN(C[C@H]1CC[N@@H+](C[C@@H](N)CC(C)C)C1)CC(F)(F)F ZINC000414702566 428381367 /nfs/dbraw/zinc/38/13/67/428381367.db2.gz IQTLRDVBZQYEJU-KGLIPLIRSA-N 1 3 309.420 2.566 20 0 DFADHO C[C@H]1C[C@H](CN2CCc3c(cnn3-c3ccccc3)C2)CC[NH2+]1 ZINC000414713075 428383522 /nfs/dbraw/zinc/38/35/22/428383522.db2.gz VQQWUIFWQDRTFR-JKSUJKDBSA-N 1 3 310.445 2.619 20 0 DFADHO C[C@@H]1C[C@H](CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414715948 428385764 /nfs/dbraw/zinc/38/57/64/428385764.db2.gz WINCYHSHUWGTQR-BASYENTBSA-N 1 3 306.425 2.976 20 0 DFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2CCC2CCCC2)C1 ZINC000414715442 428386039 /nfs/dbraw/zinc/38/60/39/428386039.db2.gz WUGCARZAYWNWCL-ZWKOTPCHSA-N 1 3 321.509 2.619 20 0 DFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2CCC2CCCC2)C1 ZINC000414715442 428386044 /nfs/dbraw/zinc/38/60/44/428386044.db2.gz WUGCARZAYWNWCL-ZWKOTPCHSA-N 1 3 321.509 2.619 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(N)CCCCC1 ZINC000414846496 428433401 /nfs/dbraw/zinc/43/34/01/428433401.db2.gz SSFPVJPALVTHIW-OAHLLOKOSA-N 1 3 303.450 2.963 20 0 DFADHO CNC[C@H](C)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414847628 428433871 /nfs/dbraw/zinc/43/38/71/428433871.db2.gz WCOWXYGYOIXWNI-AWEZNQCLSA-N 1 3 309.885 2.750 20 0 DFADHO C[NH2+]C[C@H](C)CNC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414847628 428433874 /nfs/dbraw/zinc/43/38/74/428433874.db2.gz WCOWXYGYOIXWNI-AWEZNQCLSA-N 1 3 309.885 2.750 20 0 DFADHO CCN1CCN(CCC[NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353227695 428438463 /nfs/dbraw/zinc/43/84/63/428438463.db2.gz BQLGGGHFWSKAMH-OAHLLOKOSA-N 1 3 317.468 2.818 20 0 DFADHO CC[NH+]1CCC(N(C)C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000347089233 428439829 /nfs/dbraw/zinc/43/98/29/428439829.db2.gz ZQWSUJYPBOFELW-KRWDZBQOSA-N 1 3 310.869 2.660 20 0 DFADHO CS[C@H](CO)[C@H](C)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357228214 428444457 /nfs/dbraw/zinc/44/44/57/428444457.db2.gz FPRLUPWSEOYUQV-UOVPBQLFSA-N 1 3 322.518 2.599 20 0 DFADHO CS[C@H](CO)[C@H](C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357228214 428444464 /nfs/dbraw/zinc/44/44/64/428444464.db2.gz FPRLUPWSEOYUQV-UOVPBQLFSA-N 1 3 322.518 2.599 20 0 DFADHO C[C@@H]([NH3+])C1CCN(Cc2cn(C)nc2-c2cccs2)CC1 ZINC000347106859 428447128 /nfs/dbraw/zinc/44/71/28/428447128.db2.gz NVHGQSOOZSSTQJ-GFCCVEGCSA-N 1 3 304.463 2.708 20 0 DFADHO C[C@H]1C[C@H](NC(=O)CCC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000379664606 428450784 /nfs/dbraw/zinc/45/07/84/428450784.db2.gz PTGUJFCJMHHHIA-DOTOQJQBSA-N 1 3 317.477 2.673 20 0 DFADHO C[C@@H](CC[NH2+]C[C@@](C)(O)C(F)(F)F)N(C)Cc1ccccc1 ZINC000379656172 428451910 /nfs/dbraw/zinc/45/19/10/428451910.db2.gz OJBCLMKIFQUJRZ-DZGCQCFKSA-N 1 3 318.383 2.800 20 0 DFADHO CSc1cc2c(cc1CN1CCC([C@H](C)[NH3+])CC1)OCCO2 ZINC000347114681 428452389 /nfs/dbraw/zinc/45/23/89/428452389.db2.gz UNFZKGUSCMMPML-LBPRGKRZSA-N 1 3 322.474 2.739 20 0 DFADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@H]1CC[NH2+]C1 ZINC000414916229 428456682 /nfs/dbraw/zinc/45/66/82/428456682.db2.gz PEAVQLMDOVGRJZ-GJZGRUSLSA-N 1 3 303.450 2.726 20 0 DFADHO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414919320 428457239 /nfs/dbraw/zinc/45/72/39/428457239.db2.gz WRRIEZULWYPDQU-KSSFIOAISA-N 1 3 304.434 2.716 20 0 DFADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(OCC(F)(F)F)cc2)C1 ZINC000414925808 428461179 /nfs/dbraw/zinc/46/11/79/428461179.db2.gz MICHQUJYEBAMEH-STQMWFEESA-N 1 3 302.340 2.987 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2ccccc2Cl)CC1 ZINC000414932102 428464041 /nfs/dbraw/zinc/46/40/41/428464041.db2.gz QQVKZTXMHMGDQZ-RDTXWAMCSA-N 1 3 321.896 2.892 20 0 DFADHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414946122 428467021 /nfs/dbraw/zinc/46/70/21/428467021.db2.gz SPZUXTLLFBJBGR-KSSFIOAISA-N 1 3 321.896 2.892 20 0 DFADHO C[C@@H](NCCCC[NH+](C)C)c1ccc(-n2cncn2)cc1Cl ZINC000360863160 428469362 /nfs/dbraw/zinc/46/93/62/428469362.db2.gz ZMXCSCRRUBDFPF-CYBMUJFWSA-N 1 3 321.856 2.913 20 0 DFADHO CC(C)Oc1ccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414798785 428415332 /nfs/dbraw/zinc/41/53/32/428415332.db2.gz ZHBGGRRTIJZUBN-KRWDZBQOSA-N 1 3 318.461 2.661 20 0 DFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000414799926 428415711 /nfs/dbraw/zinc/41/57/11/428415711.db2.gz KIPWAARHWRMLEL-ZQIUZPCESA-N 1 3 319.449 2.519 20 0 DFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414799926 428415717 /nfs/dbraw/zinc/41/57/17/428415717.db2.gz KIPWAARHWRMLEL-ZQIUZPCESA-N 1 3 319.449 2.519 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2CN)c(C)c1 ZINC000414798475 428417351 /nfs/dbraw/zinc/41/73/51/428417351.db2.gz JGGNCSQPHHJSHV-ZMSDIMECSA-N 1 3 303.450 2.738 20 0 DFADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000414798475 428417355 /nfs/dbraw/zinc/41/73/55/428417355.db2.gz JGGNCSQPHHJSHV-ZMSDIMECSA-N 1 3 303.450 2.738 20 0 DFADHO Cc1csc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3CN)CC2)n1 ZINC000414811900 428418431 /nfs/dbraw/zinc/41/84/31/428418431.db2.gz WWRYVRNKVJPXRL-UKRRQHHQSA-N 1 3 308.495 2.527 20 0 DFADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)CC(=O)N2CCCCCC2)cc1 ZINC000414809942 428418610 /nfs/dbraw/zinc/41/86/10/428418610.db2.gz HITZJAKHSILKIW-HZPDHXFCSA-N 1 3 317.477 2.977 20 0 DFADHO CC(C)n1ncc2cc(CN[C@@H]3CCCC[C@H]3C[NH3+])cnc21 ZINC000414809817 428418766 /nfs/dbraw/zinc/41/87/66/428418766.db2.gz UOFRIAYZJUIPKP-GOEBONIOSA-N 1 3 301.438 2.619 20 0 DFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(Br)c(F)c1 ZINC000414811864 428418948 /nfs/dbraw/zinc/41/89/48/428418948.db2.gz WTYQGSZVXPHGIL-MFKMUULPSA-N 1 3 301.203 2.805 20 0 DFADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)CC(=O)N2CCCCCC2)cc1 ZINC000414809943 428419349 /nfs/dbraw/zinc/41/93/49/428419349.db2.gz HITZJAKHSILKIW-JKSUJKDBSA-N 1 3 317.477 2.977 20 0 DFADHO CCCC[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000414816780 428421552 /nfs/dbraw/zinc/42/15/52/428421552.db2.gz QPHFBIODXSWBNZ-UKRRQHHQSA-N 1 3 307.438 2.519 20 0 DFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414823124 428423645 /nfs/dbraw/zinc/42/36/45/428423645.db2.gz AZRVLMNZBMRGKC-HZSPNIEDSA-N 1 3 307.413 2.521 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC000414824898 428423866 /nfs/dbraw/zinc/42/38/66/428423866.db2.gz GHFHZYVKNBZEDO-ZIAGYGMSSA-N 1 3 323.868 2.955 20 0 DFADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000414824898 428423870 /nfs/dbraw/zinc/42/38/70/428423870.db2.gz GHFHZYVKNBZEDO-ZIAGYGMSSA-N 1 3 323.868 2.955 20 0 DFADHO Clc1ccc(CN2CCC([NH2+]C[C@@H]3CCCNC3)CC2)cc1 ZINC000414829104 428427454 /nfs/dbraw/zinc/42/74/54/428427454.db2.gz NCBRXZHXAAMHRV-MRXNPFEDSA-N 1 3 321.896 2.894 20 0 DFADHO Cc1noc(C2(C)CC[NH+](CC[C@H]3CCCCN3C)CC2)n1 ZINC000378580600 428429141 /nfs/dbraw/zinc/42/91/41/428429141.db2.gz LSLAPPSJHOLXMI-OAHLLOKOSA-N 1 3 306.454 2.606 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414838520 428429757 /nfs/dbraw/zinc/42/97/57/428429757.db2.gz WYVCYCTXAYOTQN-ZIAGYGMSSA-N 1 3 323.868 2.955 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCNC2)cc1Cl ZINC000414838520 428429761 /nfs/dbraw/zinc/42/97/61/428429761.db2.gz WYVCYCTXAYOTQN-ZIAGYGMSSA-N 1 3 323.868 2.955 20 0 DFADHO O=c1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)c[nH]1 ZINC000392725799 428480494 /nfs/dbraw/zinc/48/04/94/428480494.db2.gz SHZMEAJLRJURGT-UHFFFAOYSA-N 1 3 311.429 2.584 20 0 DFADHO CCOc1c(CNC[C@H]2CCC[C@@H]([NH3+])C2)c(C)nn1CC(C)C ZINC000414999748 428485920 /nfs/dbraw/zinc/48/59/20/428485920.db2.gz SGOZFLXFENSKRF-JKSUJKDBSA-N 1 3 322.497 2.853 20 0 DFADHO CC(C)N1CCc2nc(CNC[C@H]3CCC[C@@H]([NH3+])C3)sc2C1 ZINC000415002333 428486224 /nfs/dbraw/zinc/48/62/24/428486224.db2.gz MBUBKHUVTGAQRK-UONOGXRCSA-N 1 3 322.522 2.517 20 0 DFADHO CC1(C)Cc2cccc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)c2O1 ZINC000415011648 428488089 /nfs/dbraw/zinc/48/80/89/428488089.db2.gz RAXBQESAZQBVIS-DLBZAZTESA-N 1 3 300.446 2.878 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H]2CNCCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000415008010 428488623 /nfs/dbraw/zinc/48/86/23/428488623.db2.gz VLJKWJHOFMYBPG-HYVNUMGLSA-N 1 3 323.431 2.626 20 0 DFADHO C[C@@H]1C[C@@H](N[C@@H]2CNCCC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000415008010 428488629 /nfs/dbraw/zinc/48/86/29/428488629.db2.gz VLJKWJHOFMYBPG-HYVNUMGLSA-N 1 3 323.431 2.626 20 0 DFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(C/C=C\c3ccccc3)CC2)C1 ZINC000415131063 428531338 /nfs/dbraw/zinc/53/13/38/428531338.db2.gz YKNBJHIZQQLEEF-ZSKSOVMSSA-N 1 3 300.446 2.918 20 0 DFADHO c1ccc(CC(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)Cc2ccccc2)cc1 ZINC000415047890 428498679 /nfs/dbraw/zinc/49/86/79/428498679.db2.gz YXNJMGUEBJCHMZ-AERCQKQUSA-N 1 3 306.453 2.895 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415052490 428500433 /nfs/dbraw/zinc/50/04/33/428500433.db2.gz HTDZDHRZKLMLRG-IIDMSEBBSA-N 1 3 303.450 2.629 20 0 DFADHO Cc1ccccc1NC(=O)C[C@@H](C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415052490 428500438 /nfs/dbraw/zinc/50/04/38/428500438.db2.gz HTDZDHRZKLMLRG-IIDMSEBBSA-N 1 3 303.450 2.629 20 0 DFADHO CC(C)Oc1ccc([C@H]2CCC[C@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415062685 428505824 /nfs/dbraw/zinc/50/58/24/428505824.db2.gz MTBSLVKDJUAJEH-FQBWVUSXSA-N 1 3 300.446 2.917 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415061739 428506863 /nfs/dbraw/zinc/50/68/63/428506863.db2.gz XDSSKVVVHBEFFS-IIYDPXPESA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415061739 428506869 /nfs/dbraw/zinc/50/68/69/428506869.db2.gz XDSSKVVVHBEFFS-IIYDPXPESA-N 1 3 323.868 2.974 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)NCCC[NH2+]C1CC1 ZINC000415071318 428509494 /nfs/dbraw/zinc/50/94/94/428509494.db2.gz SMQXMLVTSVBUCZ-CQSZACIVSA-N 1 3 303.450 2.698 20 0 DFADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCNC1CC1 ZINC000415071318 428509502 /nfs/dbraw/zinc/50/95/02/428509502.db2.gz SMQXMLVTSVBUCZ-CQSZACIVSA-N 1 3 303.450 2.698 20 0 DFADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000397338205 428510390 /nfs/dbraw/zinc/51/03/90/428510390.db2.gz CLDUSZJNSPYPAX-HZSPNIEDSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1CN ZINC000397338205 428510395 /nfs/dbraw/zinc/51/03/95/428510395.db2.gz CLDUSZJNSPYPAX-HZSPNIEDSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1CN ZINC000397338205 428510399 /nfs/dbraw/zinc/51/03/99/428510399.db2.gz CLDUSZJNSPYPAX-HZSPNIEDSA-N 1 3 323.868 2.974 20 0 DFADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1(C)CC1 ZINC000397484311 428513371 /nfs/dbraw/zinc/51/33/71/428513371.db2.gz ACWJOVLJPUWJEM-MRXNPFEDSA-N 1 3 302.462 2.792 20 0 DFADHO CC(C)(C)[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415082782 428513546 /nfs/dbraw/zinc/51/35/46/428513546.db2.gz MCCZQNMSMPKDGY-YJBOKZPZSA-N 1 3 317.477 2.561 20 0 DFADHO CC(C)(C)[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415082773 428513600 /nfs/dbraw/zinc/51/36/00/428513600.db2.gz MCCZQNMSMPKDGY-CRAIPNDOSA-N 1 3 317.477 2.561 20 0 DFADHO c1cn(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)cn1 ZINC000415091669 428516131 /nfs/dbraw/zinc/51/61/31/428516131.db2.gz ZOOTZJMTIIDIDC-VAMGGRTRSA-N 1 3 324.472 2.942 20 0 DFADHO CC(C)C[C@H](N[C@H](C)c1ccc(F)cc1)C(=O)NCC[NH+](C)C ZINC000347259205 428517285 /nfs/dbraw/zinc/51/72/85/428517285.db2.gz YIERGCSGNNTZMB-PBHICJAKSA-N 1 3 323.456 2.569 20 0 DFADHO C[C@H](NC[C@@H]1CC[NH2+][C@H](C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000415094030 428518382 /nfs/dbraw/zinc/51/83/82/428518382.db2.gz DEHJXYZLGWMUSP-FRRDWIJNSA-N 1 3 318.396 2.914 20 0 DFADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(C)nc2)CC1 ZINC000360984451 428525166 /nfs/dbraw/zinc/52/51/66/428525166.db2.gz QKAWYXLHSGELLC-UHFFFAOYSA-N 1 3 305.466 2.713 20 0 DFADHO Cc1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000415133416 428532110 /nfs/dbraw/zinc/53/21/10/428532110.db2.gz VFLCKXGGIRCFSR-WBVHZDCISA-N 1 3 312.461 2.812 20 0 DFADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc(C(F)F)cc3)C2)nn1 ZINC000415126914 428528781 /nfs/dbraw/zinc/52/87/81/428528781.db2.gz MNMPWYIEHYHMDO-OAHLLOKOSA-N 1 3 321.375 2.512 20 0 DFADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(C(F)F)cc3)C2)nn1 ZINC000415126914 428528786 /nfs/dbraw/zinc/52/87/86/428528786.db2.gz MNMPWYIEHYHMDO-OAHLLOKOSA-N 1 3 321.375 2.512 20 0 DFADHO COc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1C ZINC000415123555 428530357 /nfs/dbraw/zinc/53/03/57/428530357.db2.gz LFBPKFKRTDZZLM-IEBWSBKVSA-N 1 3 318.461 2.722 20 0 DFADHO CC[C@@H](N)C[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000414976954 428477433 /nfs/dbraw/zinc/47/74/33/428477433.db2.gz IVSHDTKYQQTDBT-CQSZACIVSA-N 1 3 305.447 2.857 20 0 DFADHO COCC1(CNCc2cc(Cl)ccc2F)CC[NH2+]CC1 ZINC000414973226 428477584 /nfs/dbraw/zinc/47/75/84/428477584.db2.gz KZDIXZKNKPFNKX-UHFFFAOYSA-N 1 3 300.805 2.585 20 0 DFADHO CC[C@@H](C)[C@@H](C)N(CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000358197877 428585925 /nfs/dbraw/zinc/58/59/25/428585925.db2.gz ONAVALFEURKSSZ-HZPDHXFCSA-N 1 3 323.525 2.874 20 0 DFADHO Cc1cc(F)ccc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415136545 428535401 /nfs/dbraw/zinc/53/54/01/428535401.db2.gz XFTUFBMDNGWDDQ-QZTJIDSGSA-N 1 3 306.425 2.852 20 0 DFADHO C[N@@H+]1CC[C@H](NC[C@H](c2ccco2)N2CCCC2)[C@H]2CCC[C@H]21 ZINC000353442206 428536370 /nfs/dbraw/zinc/53/63/70/428536370.db2.gz OVFKWKOIZVJVKP-XMTFNYHQSA-N 1 3 317.477 2.879 20 0 DFADHO C[N@H+]1CC[C@H](NC[C@H](c2ccco2)N2CCCC2)[C@H]2CCC[C@H]21 ZINC000353442206 428536372 /nfs/dbraw/zinc/53/63/72/428536372.db2.gz OVFKWKOIZVJVKP-XMTFNYHQSA-N 1 3 317.477 2.879 20 0 DFADHO CN1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)[C@H]2CCC[C@H]21 ZINC000353442206 428536377 /nfs/dbraw/zinc/53/63/77/428536377.db2.gz OVFKWKOIZVJVKP-XMTFNYHQSA-N 1 3 317.477 2.879 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@@H](C)[NH3+] ZINC000399390331 428539188 /nfs/dbraw/zinc/53/91/88/428539188.db2.gz RZZSZPYBQUPREV-NJAFHUGGSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@H]1CCCN(CCC(=O)Nc2ccccc2F)[C@H]1CC[NH3+] ZINC000404287488 428566131 /nfs/dbraw/zinc/56/61/31/428566131.db2.gz ITFIGQWOZKVERA-BBRMVZONSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)[C@H]1CCN ZINC000404287488 428566134 /nfs/dbraw/zinc/56/61/34/428566134.db2.gz ITFIGQWOZKVERA-BBRMVZONSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)[C@H]1CCN ZINC000404287488 428566138 /nfs/dbraw/zinc/56/61/38/428566138.db2.gz ITFIGQWOZKVERA-BBRMVZONSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2CCF)C[C@@H](C)O1 ZINC000353499997 428566385 /nfs/dbraw/zinc/56/63/85/428566385.db2.gz FDNAMLJGXDQHCV-WCXIOVBPSA-N 1 3 300.462 2.994 20 0 DFADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)[C@H]1CCN ZINC000404311288 428567180 /nfs/dbraw/zinc/56/71/80/428567180.db2.gz WPLXBCUCUYVLEB-CJNGLKHVSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)[C@H]1CCN ZINC000404311288 428567186 /nfs/dbraw/zinc/56/71/86/428567186.db2.gz WPLXBCUCUYVLEB-CJNGLKHVSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@@H]1CCCN(CCC(=O)Nc2cccc(F)c2)[C@H]1CC[NH3+] ZINC000404311288 428567189 /nfs/dbraw/zinc/56/71/89/428567189.db2.gz WPLXBCUCUYVLEB-CJNGLKHVSA-N 1 3 307.413 2.604 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN1C ZINC000361494979 428572782 /nfs/dbraw/zinc/57/27/82/428572782.db2.gz BBEJFIAZDSNKBA-RYRKJORJSA-N 1 3 321.509 2.582 20 0 DFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCN1C ZINC000361494979 428572787 /nfs/dbraw/zinc/57/27/87/428572787.db2.gz BBEJFIAZDSNKBA-RYRKJORJSA-N 1 3 321.509 2.582 20 0 DFADHO C[NH+](C)CCOC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000353523978 428578132 /nfs/dbraw/zinc/57/81/32/428578132.db2.gz YWVVZWJBJRFCRC-ONEGZZNKSA-N 1 3 306.425 2.882 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353530479 428580007 /nfs/dbraw/zinc/58/00/07/428580007.db2.gz SRBUXTNPPDOTMP-YYIAUSFCSA-N 1 3 318.461 2.925 20 0 DFADHO COc1ccccc1O[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353530479 428580012 /nfs/dbraw/zinc/58/00/12/428580012.db2.gz SRBUXTNPPDOTMP-YYIAUSFCSA-N 1 3 318.461 2.925 20 0 DFADHO C[C@@H]1C[C@@H]1c1ccc(CN2CCC(OCC[NH+](C)C)CC2)o1 ZINC000353564524 428597585 /nfs/dbraw/zinc/59/75/85/428597585.db2.gz CSAQEACUONPNGE-PBHICJAKSA-N 1 3 306.450 2.946 20 0 DFADHO Cc1cc2c(cc1C)[C@H]([NH2+]CC1(O)CCN(C)CC1)CCCO2 ZINC000361881829 428602623 /nfs/dbraw/zinc/60/26/23/428602623.db2.gz WYYKWTSJSHSLJQ-QGZVFWFLSA-N 1 3 318.461 2.563 20 0 DFADHO C[NH+](C)CC1(C(=O)N2CCC[C@H](N3CCCC3)C2)CCCCC1 ZINC000358622182 428611961 /nfs/dbraw/zinc/61/19/61/428611961.db2.gz AHOSLMQHQOZZBO-KRWDZBQOSA-N 1 3 321.509 2.585 20 0 DFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415889704 428616386 /nfs/dbraw/zinc/61/63/86/428616386.db2.gz CFEWGOYYLBDBTG-AWEZNQCLSA-N 1 3 318.465 2.574 20 0 DFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415889704 428616393 /nfs/dbraw/zinc/61/63/93/428616393.db2.gz CFEWGOYYLBDBTG-AWEZNQCLSA-N 1 3 318.465 2.574 20 0 DFADHO C[C@@H]1CCC[C@H]([NH2+]Cc2ccncc2OCCN(C)C)[C@@H]1C ZINC000344042255 428616589 /nfs/dbraw/zinc/61/65/89/428616589.db2.gz JVVITUHFQGBCSA-INMHGKMJSA-N 1 3 305.466 2.936 20 0 DFADHO C[C@@H](c1cc(F)ccc1F)N(C)CCCN(C)CC[NH+](C)C ZINC000344039128 428616878 /nfs/dbraw/zinc/61/68/78/428616878.db2.gz TYBIQJDLNSDUIQ-AWEZNQCLSA-N 1 3 313.436 2.841 20 0 DFADHO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415905350 428622010 /nfs/dbraw/zinc/62/20/10/428622010.db2.gz ZQRACMFRFREZPV-UHFFFAOYSA-N 1 3 318.465 2.528 20 0 DFADHO CC[NH2+]Cc1cccc(NC(=O)NCCN2CCCC[C@H]2C)c1 ZINC000415939204 428632962 /nfs/dbraw/zinc/63/29/62/428632962.db2.gz YWIOQRPVYUILFA-OAHLLOKOSA-N 1 3 318.465 2.792 20 0 DFADHO CNCc1cccc(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000415939555 428633148 /nfs/dbraw/zinc/63/31/48/428633148.db2.gz CJTSNSUJNBAHRY-INIZCTEOSA-N 1 3 318.465 2.505 20 0 DFADHO CNCc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000415939555 428633151 /nfs/dbraw/zinc/63/31/51/428633151.db2.gz CJTSNSUJNBAHRY-INIZCTEOSA-N 1 3 318.465 2.505 20 0 DFADHO Cc1ncc(CN2CC[C@@H](Nc3cc[nH+]cc3C)[C@@H](C)C2)s1 ZINC000373517501 428596146 /nfs/dbraw/zinc/59/61/46/428596146.db2.gz DALYNJZZLYKKDR-SUMWQHHRSA-N 1 3 316.474 2.899 20 0 DFADHO C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2N(C)CCCC2(C)C)c1 ZINC000415958644 428635935 /nfs/dbraw/zinc/63/59/35/428635935.db2.gz LXSDDJVIUCBZAL-INIZCTEOSA-N 1 3 318.465 2.648 20 0 DFADHO [NH3+]Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000415958980 428636278 /nfs/dbraw/zinc/63/62/78/428636278.db2.gz OPIQVNXYCKFDBU-SFHVURJKSA-N 1 3 324.428 2.541 20 0 DFADHO O=C(NCCC[NH+]1CCCCCC1)Nc1ccc2c(c1)CNC2 ZINC000416015855 428648699 /nfs/dbraw/zinc/64/86/99/428648699.db2.gz UNQVWNXCBLYBMI-UHFFFAOYSA-N 1 3 316.449 2.677 20 0 DFADHO CSC1(CN(C)C2CC[NH+](C3CCOCC3)CC2)CCC1 ZINC000365616969 274174452 /nfs/dbraw/zinc/17/44/52/274174452.db2.gz MCWHGAHDEFVUNV-UHFFFAOYSA-N 1 3 312.523 2.847 20 0 DFADHO CC[N@H+](CCC1CCN(CC(=O)N(C)C2CC2)CC1)CC(C)C ZINC000358739990 428651877 /nfs/dbraw/zinc/65/18/77/428651877.db2.gz VJGSUHQIYAVDBG-UHFFFAOYSA-N 1 3 323.525 2.687 20 0 DFADHO CC[N@@H+](CCC1CCN(CC(=O)N(C)C2CC2)CC1)CC(C)C ZINC000358739990 428651879 /nfs/dbraw/zinc/65/18/79/428651879.db2.gz VJGSUHQIYAVDBG-UHFFFAOYSA-N 1 3 323.525 2.687 20 0 DFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cc(N(C)C)nc2ccccc12 ZINC000361806474 274336060 /nfs/dbraw/zinc/33/60/60/274336060.db2.gz IROBPROVBZZVTM-RHSMWYFYSA-N 1 3 312.461 2.731 20 0 DFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cc(N(C)C)nc2ccccc12 ZINC000361806474 274336063 /nfs/dbraw/zinc/33/60/63/274336063.db2.gz IROBPROVBZZVTM-RHSMWYFYSA-N 1 3 312.461 2.731 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000119964443 274340556 /nfs/dbraw/zinc/34/05/56/274340556.db2.gz PXNDSVJQSVFXCS-IXYNUQLISA-N 1 3 322.884 2.632 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000119964443 274340557 /nfs/dbraw/zinc/34/05/57/274340557.db2.gz PXNDSVJQSVFXCS-IXYNUQLISA-N 1 3 322.884 2.632 20 0 DFADHO CO[C@]1(C)CCCN(CC(C)C[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348230554 428669591 /nfs/dbraw/zinc/66/95/91/428669591.db2.gz HAOZMGHXOLHDOJ-QZTJIDSGSA-N 1 3 312.498 2.624 20 0 DFADHO CO[C@]1(C)CCCN(CC(C)C[N@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348230554 428669597 /nfs/dbraw/zinc/66/95/97/428669597.db2.gz HAOZMGHXOLHDOJ-QZTJIDSGSA-N 1 3 312.498 2.624 20 0 DFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416246205 428698437 /nfs/dbraw/zinc/69/84/37/428698437.db2.gz UPASCJITMSBOCR-ROUUACIJSA-N 1 3 317.477 2.670 20 0 DFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416246205 428698441 /nfs/dbraw/zinc/69/84/41/428698441.db2.gz UPASCJITMSBOCR-ROUUACIJSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC1(O)CCN(C)CC1 ZINC000344746340 428700553 /nfs/dbraw/zinc/70/05/53/428700553.db2.gz MJYPTZOBEIZAHG-LBPRGKRZSA-N 1 3 316.898 2.769 20 0 DFADHO CCn1cc(CCN[C@H]2CCCC[C@H]2C[NH+](CC)CC)cn1 ZINC000348359997 428717550 /nfs/dbraw/zinc/71/75/50/428717550.db2.gz BKYFQQRDTBJNIJ-ROUUACIJSA-N 1 3 306.498 2.936 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cnn(CC)c1 ZINC000348359997 428717554 /nfs/dbraw/zinc/71/75/54/428717554.db2.gz BKYFQQRDTBJNIJ-ROUUACIJSA-N 1 3 306.498 2.936 20 0 DFADHO CN1CCC(N2CC[C@@H]([NH2+]C(C3CCC3)C3CCC3)C2)CC1 ZINC000374701531 428734333 /nfs/dbraw/zinc/73/43/33/428734333.db2.gz LULLXZYEYNBPKN-QGZVFWFLSA-N 1 3 305.510 2.713 20 0 DFADHO CC[C@@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)N(CC)CC ZINC000344648562 428689210 /nfs/dbraw/zinc/68/92/10/428689210.db2.gz DGJSZNMGKXTANU-DLBZAZTESA-N 1 3 311.514 2.734 20 0 DFADHO COC(=O)[C@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411177549 428754041 /nfs/dbraw/zinc/75/40/41/428754041.db2.gz HOVWZUCBKMEBCD-SFHVURJKSA-N 1 3 316.445 2.667 20 0 DFADHO C[C@@H](C(=O)N[C@H](CN(C)C)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411185934 428754578 /nfs/dbraw/zinc/75/45/78/428754578.db2.gz OLBBKNCWSYEFGF-UIBIWLFHSA-N 1 3 317.477 2.667 20 0 DFADHO C[C@@H](C(=O)N[C@H](CN(C)C)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411185934 428754582 /nfs/dbraw/zinc/75/45/82/428754582.db2.gz OLBBKNCWSYEFGF-UIBIWLFHSA-N 1 3 317.477 2.667 20 0 DFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@@H](O)CC(F)(F)F ZINC000348412117 428735900 /nfs/dbraw/zinc/73/59/00/428735900.db2.gz ZPYYHNNXYXHUPW-IHRRRGAJSA-N 1 3 310.404 2.790 20 0 DFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000348412117 428735903 /nfs/dbraw/zinc/73/59/03/428735903.db2.gz ZPYYHNNXYXHUPW-IHRRRGAJSA-N 1 3 310.404 2.790 20 0 DFADHO CC(C)[C@](C)(NCc1cccc(C[NH+]2CCCCC2)c1)C(N)=O ZINC000411726099 428847175 /nfs/dbraw/zinc/84/71/75/428847175.db2.gz JJVZBTACESBYOC-IBGZPJMESA-N 1 3 317.477 2.662 20 0 DFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000362624089 428794494 /nfs/dbraw/zinc/79/44/94/428794494.db2.gz QXUIGHBQFVFYSC-WMZOPIPTSA-N 1 3 323.525 2.876 20 0 DFADHO C[C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000411438920 428797340 /nfs/dbraw/zinc/79/73/40/428797340.db2.gz CYNYWVRFNRZODA-VQIMIIECSA-N 1 3 302.462 2.875 20 0 DFADHO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CCN(CC)CC1 ZINC000411522186 428810370 /nfs/dbraw/zinc/81/03/70/428810370.db2.gz VRWYCAOGRMZWHO-RDJZCZTQSA-N 1 3 309.498 2.535 20 0 DFADHO Cc1csc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)n1 ZINC000359116740 428824327 /nfs/dbraw/zinc/82/43/27/428824327.db2.gz QUWUUNZJOWZZEN-CVEARBPZSA-N 1 3 320.506 2.637 20 0 DFADHO Cc1csc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)n1 ZINC000359116740 428824334 /nfs/dbraw/zinc/82/43/34/428824334.db2.gz QUWUUNZJOWZZEN-CVEARBPZSA-N 1 3 320.506 2.637 20 0 DFADHO Cc1csc(N2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)n1 ZINC000359116740 428824340 /nfs/dbraw/zinc/82/43/40/428824340.db2.gz QUWUUNZJOWZZEN-CVEARBPZSA-N 1 3 320.506 2.637 20 0 DFADHO CC1(C)CN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000411660871 428837172 /nfs/dbraw/zinc/83/71/72/428837172.db2.gz BANMIQZYHNOZER-GOSISDBHSA-N 1 3 302.462 2.875 20 0 DFADHO COc1ccc(C[N@H+](C)C2CCN(C3CCOCC3)CC2)cc1 ZINC000363202620 428882112 /nfs/dbraw/zinc/88/21/12/428882112.db2.gz VEFZMFDXLORUAI-UHFFFAOYSA-N 1 3 318.461 2.770 20 0 DFADHO COc1ccc(C[N@@H+](C)C2CCN(C3CCOCC3)CC2)cc1 ZINC000363202620 428882114 /nfs/dbraw/zinc/88/21/14/428882114.db2.gz VEFZMFDXLORUAI-UHFFFAOYSA-N 1 3 318.461 2.770 20 0 DFADHO CC(C)NC(=O)CCNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375484054 428897282 /nfs/dbraw/zinc/89/72/82/428897282.db2.gz RFVUEDFVVIZREU-IEBWSBKVSA-N 1 3 317.477 2.574 20 0 DFADHO CC(C)NC(=O)CCNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375484054 428897288 /nfs/dbraw/zinc/89/72/88/428897288.db2.gz RFVUEDFVVIZREU-IEBWSBKVSA-N 1 3 317.477 2.574 20 0 DFADHO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000349002765 428898043 /nfs/dbraw/zinc/89/80/43/428898043.db2.gz IZULGGRIGLVTJI-IPQPSQTFSA-N 1 3 300.446 2.543 20 0 DFADHO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000349002765 428898049 /nfs/dbraw/zinc/89/80/49/428898049.db2.gz IZULGGRIGLVTJI-IPQPSQTFSA-N 1 3 300.446 2.543 20 0 DFADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1C[C@H]1c1ccccc1 ZINC000349034678 428905013 /nfs/dbraw/zinc/90/50/13/428905013.db2.gz FCOHKGKIJWVMFQ-QUCCMNQESA-N 1 3 315.505 2.748 20 0 DFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1C[C@H]1c1ccccc1 ZINC000349034678 428905021 /nfs/dbraw/zinc/90/50/21/428905021.db2.gz FCOHKGKIJWVMFQ-QUCCMNQESA-N 1 3 315.505 2.748 20 0 DFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000349091624 428918741 /nfs/dbraw/zinc/91/87/41/428918741.db2.gz YSIVRRPROGTXKJ-IAGOWNOFSA-N 1 3 311.514 2.734 20 0 DFADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000349178786 428933954 /nfs/dbraw/zinc/93/39/54/428933954.db2.gz BNWPZPDBLMWPMI-JTSKRJEESA-N 1 3 320.502 2.588 20 0 DFADHO Cc1ccsc1CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349325221 428962006 /nfs/dbraw/zinc/96/20/06/428962006.db2.gz CMLKGTWGZIXZHV-HNNXBMFYSA-N 1 3 307.507 2.657 20 0 DFADHO CC[NH+](CC)[C@H]1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000433372202 429028257 /nfs/dbraw/zinc/02/82/57/429028257.db2.gz DGIJRDCFPDFGQE-ZWKOTPCHSA-N 1 3 317.477 2.622 20 0 DFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000355113226 429031027 /nfs/dbraw/zinc/03/10/27/429031027.db2.gz FISVDOLCEUGDEL-IAGOWNOFSA-N 1 3 311.514 2.780 20 0 DFADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccncc1 ZINC000423579437 428976225 /nfs/dbraw/zinc/97/62/25/428976225.db2.gz WFJZPJMJVCCJEB-QGZVFWFLSA-N 1 3 324.472 2.726 20 0 DFADHO CCOC(=O)C1(C)CCC([NH2+][C@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000354513304 428993199 /nfs/dbraw/zinc/99/31/99/428993199.db2.gz PNYXLKREVNTQDE-LPMVOBIJSA-N 1 3 310.482 2.961 20 0 DFADHO Cc1ccnc(NC[C@@H]2CC[N@@H+](CC[C@H]3CCCCN3C)C2)c1 ZINC000375868827 429001113 /nfs/dbraw/zinc/00/11/13/429001113.db2.gz HAIWKCDTHTUCSA-ZWKOTPCHSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1ccnc(NC[C@@H]2CC[N@H+](CC[C@H]3CCCCN3C)C2)c1 ZINC000375868827 429001119 /nfs/dbraw/zinc/00/11/19/429001119.db2.gz HAIWKCDTHTUCSA-ZWKOTPCHSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1ccnc(NC[C@@H]2CCN(CC[C@H]3CCCC[N@H+]3C)C2)c1 ZINC000375868827 429001125 /nfs/dbraw/zinc/00/11/25/429001125.db2.gz HAIWKCDTHTUCSA-ZWKOTPCHSA-N 1 3 316.493 2.998 20 0 DFADHO Cc1ccnc(NC[C@@H]2CCN(CC[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000375868827 429001135 /nfs/dbraw/zinc/00/11/35/429001135.db2.gz HAIWKCDTHTUCSA-ZWKOTPCHSA-N 1 3 316.493 2.998 20 0 DFADHO C[C@@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)C2CCCC2)cc1 ZINC000423716344 429003187 /nfs/dbraw/zinc/00/31/87/429003187.db2.gz WXGXAGNXEBLOAB-CQSZACIVSA-N 1 3 303.450 2.653 20 0 DFADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)N[C@H]1CCCc2ccccc21 ZINC000433492935 429034554 /nfs/dbraw/zinc/03/45/54/429034554.db2.gz HHKHKJAKARNSBQ-HKUYNNGSSA-N 1 3 317.477 2.533 20 0 DFADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423450431 429089882 /nfs/dbraw/zinc/08/98/82/429089882.db2.gz SXIQKMLQLLGRPY-BBBLOLIVSA-N 1 3 318.202 2.678 20 0 DFADHO C[C@H]1C[C@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000423460809 429091117 /nfs/dbraw/zinc/09/11/17/429091117.db2.gz BLLBVAZGNFENCF-OXXUSNJHSA-N 1 3 306.425 2.676 20 0 DFADHO Cc1c([C@H](C)NC[C@@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccccc1 ZINC000423456808 429091139 /nfs/dbraw/zinc/09/11/39/429091139.db2.gz HGLNSQQGTZQWQU-IMJJTQAJSA-N 1 3 313.449 2.744 20 0 DFADHO CC[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@H]1CCOC1 ZINC000423468123 429092399 /nfs/dbraw/zinc/09/23/99/429092399.db2.gz JKEVFJSNFIOOMC-DKKFBQAASA-N 1 3 320.452 2.924 20 0 DFADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423469289 429092721 /nfs/dbraw/zinc/09/27/21/429092721.db2.gz OTVDVGBLEYJNJB-JOYOIKCWSA-N 1 3 318.202 2.679 20 0 DFADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@H]1CCCOC1 ZINC000423474424 429094461 /nfs/dbraw/zinc/09/44/61/429094461.db2.gz OUKGMIJKIPXXHD-PCODUJHASA-N 1 3 320.452 2.924 20 0 DFADHO C[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000452066650 429047645 /nfs/dbraw/zinc/04/76/45/429047645.db2.gz LLFLQHVGPRMYCB-PMPSAXMXSA-N 1 3 321.509 2.534 20 0 DFADHO c1ccc2nc(NCCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422923502 429052521 /nfs/dbraw/zinc/05/25/21/429052521.db2.gz WJMGHMKHKZPIGZ-QRQLOZEOSA-N 1 3 324.472 3.157 20 0 DFADHO CCCC[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccccc1OC ZINC000423303976 429060391 /nfs/dbraw/zinc/06/03/91/429060391.db2.gz XVQCFHJQFYRSRL-ZIAGYGMSSA-N 1 3 307.438 2.519 20 0 DFADHO CN(CC[NH+]1CCCCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000452122079 429064107 /nfs/dbraw/zinc/06/41/07/429064107.db2.gz ULHSOXPMMSGZKC-UHFFFAOYSA-N 1 3 321.431 2.821 20 0 DFADHO C[C@@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)N1CCCCCC1 ZINC000423967443 429066765 /nfs/dbraw/zinc/06/67/65/429066765.db2.gz JJMWFKARQZPILE-WMZOPIPTSA-N 1 3 317.477 2.847 20 0 DFADHO C[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)N1CCCC[C@@H]1C ZINC000423335070 429067292 /nfs/dbraw/zinc/06/72/92/429067292.db2.gz TXRUFKSOQUDGII-ZNMIVQPWSA-N 1 3 303.450 2.699 20 0 DFADHO CC[C@@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)N(CC)CC ZINC000423972914 429068374 /nfs/dbraw/zinc/06/83/74/429068374.db2.gz PUAHXWGDIXWPFV-IRXDYDNUSA-N 1 3 305.466 2.703 20 0 DFADHO COc1ccc([C@H](C)[NH2+]CC2(N)CCC2)cc1Br ZINC000423343226 429069133 /nfs/dbraw/zinc/06/91/33/429069133.db2.gz ZQIRUSJUSKFLPW-JTQLQIEISA-N 1 3 313.239 2.990 20 0 DFADHO COc1ccc([C@H](C)[C@@H](C)NCC[C@H]2CCC[NH2+]2)cc1OC ZINC000423355641 429072573 /nfs/dbraw/zinc/07/25/73/429072573.db2.gz FQDQYGWYWNJNPZ-IIAWOOMASA-N 1 3 306.450 2.928 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000423362493 429072745 /nfs/dbraw/zinc/07/27/45/429072745.db2.gz IDHPOCGGVSDXRC-HNNXBMFYSA-N 1 3 315.461 2.797 20 0 DFADHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H](N)C2)c(C)c1OC ZINC000423371351 429074658 /nfs/dbraw/zinc/07/46/58/429074658.db2.gz QEZGCAWUPCKLNA-VBNZEHGJSA-N 1 3 306.450 2.803 20 0 DFADHO COc1ccc(C[C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)c(C)c1OC ZINC000423371351 429074663 /nfs/dbraw/zinc/07/46/63/429074663.db2.gz QEZGCAWUPCKLNA-VBNZEHGJSA-N 1 3 306.450 2.803 20 0 DFADHO C[C@H]([NH3+])c1ccc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000423368742 429075327 /nfs/dbraw/zinc/07/53/27/429075327.db2.gz FLSDVUBLWLPPMX-KKUMJFAQSA-N 1 3 303.450 2.699 20 0 DFADHO CC(C)[N@H+](C)CCCN[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000494695856 429145447 /nfs/dbraw/zinc/14/54/47/429145447.db2.gz YOWXLGAMUFXRSD-LSDHHAIUSA-N 1 3 313.486 2.752 20 0 DFADHO CC(C)[N@@H+](C)CCCN[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000494695856 429145450 /nfs/dbraw/zinc/14/54/50/429145450.db2.gz YOWXLGAMUFXRSD-LSDHHAIUSA-N 1 3 313.486 2.752 20 0 DFADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000494695856 429145452 /nfs/dbraw/zinc/14/54/52/429145452.db2.gz YOWXLGAMUFXRSD-LSDHHAIUSA-N 1 3 313.486 2.752 20 0 DFADHO CCN(CCOCCOc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435627402 429155392 /nfs/dbraw/zinc/15/53/92/429155392.db2.gz NIAWMOQSCYSURK-QGZVFWFLSA-N 1 3 306.450 2.546 20 0 DFADHO CCN(CCc1nc2ccccc2n1C)[C@H]1CCC[NH2+]CC1 ZINC000435628078 429156223 /nfs/dbraw/zinc/15/62/23/429156223.db2.gz UAZXQEAWZTVHOV-HNNXBMFYSA-N 1 3 300.450 2.580 20 0 DFADHO Clc1cccc([C@@H]2CC[C@@H]([NH2+]C[C@@H]3CNCCCO3)C2)c1 ZINC000423492847 429099561 /nfs/dbraw/zinc/09/95/61/429099561.db2.gz OVGKWHMGCMYAMP-OIISXLGYSA-N 1 3 308.853 2.944 20 0 DFADHO Clc1cccc([C@@H]2CC[C@@H](NC[C@@H]3C[NH2+]CCCO3)C2)c1 ZINC000423492847 429099564 /nfs/dbraw/zinc/09/95/64/429099564.db2.gz OVGKWHMGCMYAMP-OIISXLGYSA-N 1 3 308.853 2.944 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CNCCCO1)C1(c2ccccc2)CCCC1 ZINC000423494901 429099805 /nfs/dbraw/zinc/09/98/05/429099805.db2.gz SQPTWOOPTALBOT-AEFFLSMTSA-N 1 3 302.462 2.855 20 0 DFADHO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)C1(c2ccccc2)CCCC1 ZINC000423494901 429099809 /nfs/dbraw/zinc/09/98/09/429099809.db2.gz SQPTWOOPTALBOT-AEFFLSMTSA-N 1 3 302.462 2.855 20 0 DFADHO C[C@@H]1C[N@@H+]([C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@@]1(C)CN ZINC000423505580 429100766 /nfs/dbraw/zinc/10/07/66/429100766.db2.gz HEENHOVCFVAKTQ-KVPLUYHFSA-N 1 3 315.505 2.814 20 0 DFADHO C[C@@H]1C[N@H+]([C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@@]1(C)CN ZINC000423505580 429100770 /nfs/dbraw/zinc/10/07/70/429100770.db2.gz HEENHOVCFVAKTQ-KVPLUYHFSA-N 1 3 315.505 2.814 20 0 DFADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423515497 429106125 /nfs/dbraw/zinc/10/61/25/429106125.db2.gz AARLDLVICOSUPT-PRLDQDABSA-N 1 3 306.494 2.935 20 0 DFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424181395 429106538 /nfs/dbraw/zinc/10/65/38/429106538.db2.gz RBXUDRPQBXXANG-NJAFHUGGSA-N 1 3 323.525 2.863 20 0 DFADHO CC1(C)[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)[C@@H]2CCO[C@@H]21 ZINC000423522835 429109039 /nfs/dbraw/zinc/10/90/39/429109039.db2.gz HRUUDFQHFMJDQY-NBZMFWTISA-N 1 3 304.478 2.543 20 0 DFADHO CC1(C)[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H]2CCO[C@@H]21 ZINC000423522835 429109041 /nfs/dbraw/zinc/10/90/41/429109041.db2.gz HRUUDFQHFMJDQY-NBZMFWTISA-N 1 3 304.478 2.543 20 0 DFADHO COc1ccc([C@@H](C)NCCOCC[NH+](C)C)c(Cl)c1 ZINC000424277488 429117660 /nfs/dbraw/zinc/11/76/60/429117660.db2.gz GOBYURGCRLLKGY-GFCCVEGCSA-N 1 3 300.830 2.577 20 0 DFADHO Cc1ccc(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)c1 ZINC000424284188 429119391 /nfs/dbraw/zinc/11/93/91/429119391.db2.gz CZNZSAJTPPKMMI-MRXNPFEDSA-N 1 3 315.461 2.706 20 0 DFADHO C[C@H]1CC2(CN1Cc1cc(-c3ccco3)on1)CC[NH2+]CC2 ZINC000424292015 429121235 /nfs/dbraw/zinc/12/12/35/429121235.db2.gz NXHPFSDWFAKLEI-ZDUSSCGKSA-N 1 3 301.390 2.899 20 0 DFADHO COC(=O)c1cc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)s1 ZINC000424301156 429123659 /nfs/dbraw/zinc/12/36/59/429123659.db2.gz XGACKCPCGKJZMK-LBPRGKRZSA-N 1 3 322.474 2.807 20 0 DFADHO CCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1N)[C@H](C)c1ccc(F)cc1 ZINC000424334212 429128589 /nfs/dbraw/zinc/12/85/89/429128589.db2.gz NGTPAXPBXZUCBC-KBRIMQKVSA-N 1 3 321.440 2.595 20 0 DFADHO CC(C)[C@@H](CN[C@@H]1CCC(=O)NC1(C)C)[NH+]1CCCCCC1 ZINC000494924680 429164545 /nfs/dbraw/zinc/16/45/45/429164545.db2.gz QYGMSCHCUKSUOO-HZPDHXFCSA-N 1 3 309.498 2.534 20 0 DFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)[C@H]1C ZINC000494927289 429165214 /nfs/dbraw/zinc/16/52/14/429165214.db2.gz ZUMFJPZYCBXBFL-JTDSTZFVSA-N 1 3 301.478 2.568 20 0 DFADHO CCC[N@H+](CCCNC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000435869154 429168408 /nfs/dbraw/zinc/16/84/08/429168408.db2.gz BAKOAHOELLUUOD-UHFFFAOYSA-N 1 3 317.477 2.613 20 0 DFADHO CCC[N@@H+](CCCNC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000435869154 429168413 /nfs/dbraw/zinc/16/84/13/429168413.db2.gz BAKOAHOELLUUOD-UHFFFAOYSA-N 1 3 317.477 2.613 20 0 DFADHO CC1(C)NC(=O)CC[C@@H]1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000495069359 429175172 /nfs/dbraw/zinc/17/51/72/429175172.db2.gz SBLFXAIAHKQULK-IRXDYDNUSA-N 1 3 321.509 2.678 20 0 DFADHO CC1(C)NC(=O)CC[C@@H]1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000495069359 429175176 /nfs/dbraw/zinc/17/51/76/429175176.db2.gz SBLFXAIAHKQULK-IRXDYDNUSA-N 1 3 321.509 2.678 20 0 DFADHO C[C@H](Cc1ccccc1)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000364330102 429182550 /nfs/dbraw/zinc/18/25/50/429182550.db2.gz UFQMNXWGJFTQKN-UYAOXDASSA-N 1 3 315.505 2.577 20 0 DFADHO C[C@H](Cc1ccccc1)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000364330102 429182553 /nfs/dbraw/zinc/18/25/53/429182553.db2.gz UFQMNXWGJFTQKN-UYAOXDASSA-N 1 3 315.505 2.577 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000364469218 429209117 /nfs/dbraw/zinc/20/91/17/429209117.db2.gz TVCNMKMRMOTNJG-CRAIPNDOSA-N 1 3 317.477 2.706 20 0 DFADHO C1C[C@@]2(CO1)C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)CCO2 ZINC000374525987 275415055 /nfs/dbraw/zinc/41/50/55/275415055.db2.gz DGCCLWYYPLLKDO-HKUYNNGSSA-N 1 3 322.493 2.711 20 0 DFADHO CS[C@@H]1CC[C@H]1[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000425361596 429278757 /nfs/dbraw/zinc/27/87/57/429278757.db2.gz UJMUIYJIRVGGHS-IAGOWNOFSA-N 1 3 308.491 2.653 20 0 DFADHO C[N@H+](C[C@@H](O)CN1CC(C)(C)C[C@H]1c1ccccc1)C1CC1 ZINC000425542737 429318685 /nfs/dbraw/zinc/31/86/85/429318685.db2.gz OSLHHKGHTSGQKN-MSOLQXFVSA-N 1 3 302.462 2.915 20 0 DFADHO C[N@@H+](C[C@@H](O)CN1CC(C)(C)C[C@H]1c1ccccc1)C1CC1 ZINC000425542737 429318686 /nfs/dbraw/zinc/31/86/86/429318686.db2.gz OSLHHKGHTSGQKN-MSOLQXFVSA-N 1 3 302.462 2.915 20 0 DFADHO CCN1CCN(CCCC[NH2+]CCc2cccc(C)c2)CC1 ZINC000449074042 429325973 /nfs/dbraw/zinc/32/59/73/429325973.db2.gz BDYZUVGTSXBQTF-UHFFFAOYSA-N 1 3 303.494 2.545 20 0 DFADHO CN[C@@H](CC(C)(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000449098594 429331332 /nfs/dbraw/zinc/33/13/32/429331332.db2.gz KAQQUDJFOXLEJS-GJZGRUSLSA-N 1 3 311.514 2.637 20 0 DFADHO CN[C@@H](CC(C)(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000449098594 429331334 /nfs/dbraw/zinc/33/13/34/429331334.db2.gz KAQQUDJFOXLEJS-GJZGRUSLSA-N 1 3 311.514 2.637 20 0 DFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000449098594 429331338 /nfs/dbraw/zinc/33/13/38/429331338.db2.gz KAQQUDJFOXLEJS-GJZGRUSLSA-N 1 3 311.514 2.637 20 0 DFADHO O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCCN1C1CCCC1 ZINC000456684292 429337508 /nfs/dbraw/zinc/33/75/08/429337508.db2.gz NJZPMBQGXHGAQJ-SFHVURJKSA-N 1 3 319.493 2.527 20 0 DFADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000449134207 429339518 /nfs/dbraw/zinc/33/95/18/429339518.db2.gz HNEYPLULCVCSIP-YCPHGPKFSA-N 1 3 323.506 2.635 20 0 DFADHO C(N1CC[C@H]2CCC[C@@H]21)C1(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)COC1 ZINC000426457190 429393096 /nfs/dbraw/zinc/39/30/96/429393096.db2.gz XRLJZTPEUWROFE-MHORFTMASA-N 1 3 304.478 2.752 20 0 DFADHO C(N1CC[C@H]2CCC[C@@H]21)C1(C[N@H+]2CC[C@@H]3CCC[C@@H]32)COC1 ZINC000426457190 429393099 /nfs/dbraw/zinc/39/30/99/429393099.db2.gz XRLJZTPEUWROFE-MHORFTMASA-N 1 3 304.478 2.752 20 0 DFADHO C(N1CC[C@@H]2CCC[C@@H]21)C1(C[N@@H+]2CC[C@H]3CCC[C@@H]32)COC1 ZINC000426457190 429393103 /nfs/dbraw/zinc/39/31/03/429393103.db2.gz XRLJZTPEUWROFE-MHORFTMASA-N 1 3 304.478 2.752 20 0 DFADHO C(N1CC[C@@H]2CCC[C@@H]21)C1(C[N@H+]2CC[C@H]3CCC[C@@H]32)COC1 ZINC000426457190 429393106 /nfs/dbraw/zinc/39/31/06/429393106.db2.gz XRLJZTPEUWROFE-MHORFTMASA-N 1 3 304.478 2.752 20 0 DFADHO CN(Cc1ccccc1-c1ccnn1C)C[C@H]1CCC[N@H+](C)C1 ZINC000507367312 429349738 /nfs/dbraw/zinc/34/97/38/429349738.db2.gz LBCSGSRVTHCMSM-INIZCTEOSA-N 1 3 312.461 2.861 20 0 DFADHO CN(Cc1ccccc1-c1ccnn1C)C[C@H]1CCC[N@@H+](C)C1 ZINC000507367312 429349741 /nfs/dbraw/zinc/34/97/41/429349741.db2.gz LBCSGSRVTHCMSM-INIZCTEOSA-N 1 3 312.461 2.861 20 0 DFADHO Cc1csc([C@H](C)CNCc2cc(C3CC[NH2+]CC3)no2)n1 ZINC000425896014 429351552 /nfs/dbraw/zinc/35/15/52/429351552.db2.gz MOCWJVOWVVNESW-LLVKDONJSA-N 1 3 320.462 2.800 20 0 DFADHO Cc1cccc(CCNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000449183255 429351988 /nfs/dbraw/zinc/35/19/88/429351988.db2.gz FHTLGSBPJQCBQA-VQTJNVASSA-N 1 3 316.489 2.895 20 0 DFADHO C[C@H](C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)N(C)C ZINC000449228168 429363358 /nfs/dbraw/zinc/36/33/58/429363358.db2.gz XREOXJBQZOONQW-DLBZAZTESA-N 1 3 303.494 2.622 20 0 DFADHO Cc1cccc(CC[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)c1 ZINC000449231891 429364217 /nfs/dbraw/zinc/36/42/17/429364217.db2.gz GESXJOJHKYUQNI-OAQYLSRUSA-N 1 3 324.468 2.894 20 0 DFADHO C[N@H+]1CC=C(CNCc2ccc3c(c2)OCCCCO3)CC1 ZINC000449245451 429364705 /nfs/dbraw/zinc/36/47/05/429364705.db2.gz AYPQNXKTIWWXJZ-UHFFFAOYSA-N 1 3 302.418 2.590 20 0 DFADHO C[N@@H+]1CC=C(CNCc2ccc3c(c2)OCCCCO3)CC1 ZINC000449245451 429364707 /nfs/dbraw/zinc/36/47/07/429364707.db2.gz AYPQNXKTIWWXJZ-UHFFFAOYSA-N 1 3 302.418 2.590 20 0 DFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000449256014 429368148 /nfs/dbraw/zinc/36/81/48/429368148.db2.gz BMQRKJBKAJAYLN-ATZDWAIDSA-N 1 3 316.489 2.831 20 0 DFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000426296007 429380591 /nfs/dbraw/zinc/38/05/91/429380591.db2.gz PBXAPZNLIQUUDP-FZCLSBEQSA-N 1 3 317.452 2.867 20 0 DFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000426296007 429380596 /nfs/dbraw/zinc/38/05/96/429380596.db2.gz PBXAPZNLIQUUDP-FZCLSBEQSA-N 1 3 317.452 2.867 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000426385635 429388050 /nfs/dbraw/zinc/38/80/50/429388050.db2.gz PPTSKYDESGRKPV-KURKYZTESA-N 1 3 323.525 2.686 20 0 DFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000426385635 429388053 /nfs/dbraw/zinc/38/80/53/429388053.db2.gz PPTSKYDESGRKPV-KURKYZTESA-N 1 3 323.525 2.686 20 0 DFADHO Cc1cc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)cs1 ZINC000449324164 429388584 /nfs/dbraw/zinc/38/85/84/429388584.db2.gz CWXNYEILORNATO-CQSZACIVSA-N 1 3 307.507 2.657 20 0 DFADHO Cc1cc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)cs1 ZINC000449324164 429388586 /nfs/dbraw/zinc/38/85/86/429388586.db2.gz CWXNYEILORNATO-CQSZACIVSA-N 1 3 307.507 2.657 20 0 DFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)/C=C/CN(C)C)cc2)C1 ZINC000491686420 429389851 /nfs/dbraw/zinc/38/98/51/429389851.db2.gz QPCQBONVAATHHG-BIENSFFJSA-N 1 3 315.461 2.975 20 0 DFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)/C=C/CN(C)C)cc2)C1 ZINC000491686420 429389856 /nfs/dbraw/zinc/38/98/56/429389856.db2.gz QPCQBONVAATHHG-BIENSFFJSA-N 1 3 315.461 2.975 20 0 DFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)/C=C\CN(C)C)cc2)C1 ZINC000491686422 429390419 /nfs/dbraw/zinc/39/04/19/429390419.db2.gz QPCQBONVAATHHG-WRLNGNIRSA-N 1 3 315.461 2.975 20 0 DFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)/C=C\CN(C)C)cc2)C1 ZINC000491686422 429390426 /nfs/dbraw/zinc/39/04/26/429390426.db2.gz QPCQBONVAATHHG-WRLNGNIRSA-N 1 3 315.461 2.975 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561611 429448145 /nfs/dbraw/zinc/44/81/45/429448145.db2.gz WDFAVXIGJHOEJD-FCLXEUQJSA-N 1 3 319.424 2.758 20 0 DFADHO C[C@H](CC(=O)Nc1cccc(F)c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561611 429448150 /nfs/dbraw/zinc/44/81/50/429448150.db2.gz WDFAVXIGJHOEJD-FCLXEUQJSA-N 1 3 319.424 2.758 20 0 DFADHO CSc1ccc([C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000518397087 429421624 /nfs/dbraw/zinc/42/16/24/429421624.db2.gz OOABECQTIFVHJK-INMHGKMJSA-N 1 3 307.507 2.871 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C)C1 ZINC000366220834 429436582 /nfs/dbraw/zinc/43/65/82/429436582.db2.gz VZBJFZHYFFERMA-KMFMINBZSA-N 1 3 323.431 2.863 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C)C1 ZINC000366220834 429436585 /nfs/dbraw/zinc/43/65/85/429436585.db2.gz VZBJFZHYFFERMA-KMFMINBZSA-N 1 3 323.431 2.863 20 0 DFADHO COc1ccc(C(C)(C)C[NH2+][C@H](C)[C@H]2CCCNC2)cc1OC ZINC000520761886 429526751 /nfs/dbraw/zinc/52/67/51/429526751.db2.gz ONOLFFXNRWEULB-CABCVRRESA-N 1 3 320.477 2.959 20 0 DFADHO COc1ccc(C(C)(C)CN[C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000520761886 429526754 /nfs/dbraw/zinc/52/67/54/429526754.db2.gz ONOLFFXNRWEULB-CABCVRRESA-N 1 3 320.477 2.959 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000519818345 429492578 /nfs/dbraw/zinc/49/25/78/429492578.db2.gz GXLGGIHKTPDAAQ-SJLPKXTDSA-N 1 3 304.478 2.863 20 0 DFADHO Cc1cc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)ncn1 ZINC000428299906 429507690 /nfs/dbraw/zinc/50/76/90/429507690.db2.gz GHIVITPWYXLESX-UHFFFAOYSA-N 1 3 311.433 2.528 20 0 DFADHO C=Cn1cc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)cn1 ZINC000366999497 429556935 /nfs/dbraw/zinc/55/69/35/429556935.db2.gz WKUBFPUBLDWFRO-IBGZPJMESA-N 1 3 310.445 2.985 20 0 DFADHO CCC[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)N(C)C ZINC000367052061 429565974 /nfs/dbraw/zinc/56/59/74/429565974.db2.gz HMFUUCHJPZBINA-SQWLQELKSA-N 1 3 323.506 2.587 20 0 DFADHO CCC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)N(C)C ZINC000367052061 429565978 /nfs/dbraw/zinc/56/59/78/429565978.db2.gz HMFUUCHJPZBINA-SQWLQELKSA-N 1 3 323.506 2.587 20 0 DFADHO CC1(C)C[C@H](N[C@H]2CCCC[C@H]2C[NH3+])c2cc(N)ccc2O1 ZINC000332190386 275869274 /nfs/dbraw/zinc/86/92/74/275869274.db2.gz CIWFSRHFFLBLTJ-RCBQFDQVSA-N 1 3 303.450 2.978 20 0 DFADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458290688 429615288 /nfs/dbraw/zinc/61/52/88/429615288.db2.gz RZVCUTZRNDDFBM-KRWDZBQOSA-N 1 3 303.450 2.870 20 0 DFADHO CCc1ccc2nccc(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)c2c1 ZINC000450452761 429630189 /nfs/dbraw/zinc/63/01/89/429630189.db2.gz ICFLXICAEWGFFC-CABCVRRESA-N 1 3 313.445 2.689 20 0 DFADHO CCc1ccc2nccc(N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)c2c1 ZINC000450452761 429630197 /nfs/dbraw/zinc/63/01/97/429630197.db2.gz ICFLXICAEWGFFC-CABCVRRESA-N 1 3 313.445 2.689 20 0 DFADHO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000429759783 429631029 /nfs/dbraw/zinc/63/10/29/429631029.db2.gz AOFVQZUIAJVSBN-BPQIPLTHSA-N 1 3 317.477 2.574 20 0 DFADHO CC(C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)N1CCCCC1 ZINC000523302597 429602614 /nfs/dbraw/zinc/60/26/14/429602614.db2.gz FJKAIRFQGZLYNE-KRWDZBQOSA-N 1 3 323.525 2.878 20 0 DFADHO CC(C)[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)N1CCCCC1 ZINC000354325203 275978085 /nfs/dbraw/zinc/97/80/85/275978085.db2.gz SXTAAXKATHRBGY-SFHVURJKSA-N 1 3 323.525 2.735 20 0 DFADHO C[C@@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@@H](N)c1ccccc1 ZINC000429512573 429612358 /nfs/dbraw/zinc/61/23/58/429612358.db2.gz ZGNNNIHJZQEBDC-QWQRMKEZSA-N 1 3 311.429 2.659 20 0 DFADHO C[N@H+](CC[C@@H]1CCOC1)[C@H]1CCCN(CC[C@H]2CCOC2)CC1 ZINC000450613008 429660865 /nfs/dbraw/zinc/66/08/65/429660865.db2.gz LUYKAQDMQAHANE-QYZOEREBSA-N 1 3 324.509 2.626 20 0 DFADHO C[N@@H+](CC[C@@H]1CCOC1)[C@H]1CCCN(CC[C@H]2CCOC2)CC1 ZINC000450613008 429660869 /nfs/dbraw/zinc/66/08/69/429660869.db2.gz LUYKAQDMQAHANE-QYZOEREBSA-N 1 3 324.509 2.626 20 0 DFADHO CN1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000367517650 429664703 /nfs/dbraw/zinc/66/47/03/429664703.db2.gz CVPGILXNHSZOEU-BZSNNMDCSA-N 1 3 315.461 2.833 20 0 DFADHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3cccn3)cc2)[C@H]2CCC[C@H]21 ZINC000367613081 429684732 /nfs/dbraw/zinc/68/47/32/429684732.db2.gz FEFPKNVSXQJIFX-HSALFYBXSA-N 1 3 324.472 2.894 20 0 DFADHO C[N@H+]1CC[C@H](NCc2ccc(Cn3cccn3)cc2)[C@H]2CCC[C@H]21 ZINC000367613081 429684736 /nfs/dbraw/zinc/68/47/36/429684736.db2.gz FEFPKNVSXQJIFX-HSALFYBXSA-N 1 3 324.472 2.894 20 0 DFADHO CN(CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Cc1ccc(F)cc1 ZINC000367617736 429687500 /nfs/dbraw/zinc/68/75/00/429687500.db2.gz REFKDWHUZHEHQY-OTWHNJEPSA-N 1 3 319.468 2.720 20 0 DFADHO CN(CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)Cc1ccc(F)cc1 ZINC000367617736 429687503 /nfs/dbraw/zinc/68/75/03/429687503.db2.gz REFKDWHUZHEHQY-OTWHNJEPSA-N 1 3 319.468 2.720 20 0 DFADHO Cc1ccc(CCN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000367677777 429697059 /nfs/dbraw/zinc/69/70/59/429697059.db2.gz HHZCPONKWKWMGR-HXUWFJFHSA-N 1 3 315.505 2.638 20 0 DFADHO Cc1ccc(CCN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000367677777 429697063 /nfs/dbraw/zinc/69/70/63/429697063.db2.gz HHZCPONKWKWMGR-HXUWFJFHSA-N 1 3 315.505 2.638 20 0 DFADHO CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000430613432 429700627 /nfs/dbraw/zinc/70/06/27/429700627.db2.gz VMLHPZIHWMPXLR-UKRRQHHQSA-N 1 3 321.490 2.939 20 0 DFADHO CSc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000430613432 429700629 /nfs/dbraw/zinc/70/06/29/429700629.db2.gz VMLHPZIHWMPXLR-UKRRQHHQSA-N 1 3 321.490 2.939 20 0 DFADHO Cc1cccn2c(CN3CC[C@@H](C4CC[NH+](C)CC4)C3)cnc12 ZINC000367690010 429700717 /nfs/dbraw/zinc/70/07/17/429700717.db2.gz SVCRKISKBUCPCN-QGZVFWFLSA-N 1 3 312.461 2.806 20 0 DFADHO N[C@@H]1CC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430631901 429703465 /nfs/dbraw/zinc/70/34/65/429703465.db2.gz VWDNRRPUXGHBSA-GFCCVEGCSA-N 1 3 302.340 2.897 20 0 DFADHO N[C@@H]1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430631901 429703469 /nfs/dbraw/zinc/70/34/69/429703469.db2.gz VWDNRRPUXGHBSA-GFCCVEGCSA-N 1 3 302.340 2.897 20 0 DFADHO [NH3+]CC1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000430620438 429703703 /nfs/dbraw/zinc/70/37/03/429703703.db2.gz HVZDHEYCHIMAEY-UHFFFAOYSA-N 1 3 311.429 2.831 20 0 DFADHO C[C@@H](CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000430748239 429713416 /nfs/dbraw/zinc/71/34/16/429713416.db2.gz PNUOWNIULKBGAC-MUQADHOPSA-N 1 3 317.477 2.702 20 0 DFADHO C[C@@H](CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000430748239 429713422 /nfs/dbraw/zinc/71/34/22/429713422.db2.gz PNUOWNIULKBGAC-MUQADHOPSA-N 1 3 317.477 2.702 20 0 DFADHO C[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])N1CCCC[C@H]1C ZINC000430758722 429713939 /nfs/dbraw/zinc/71/39/39/429713939.db2.gz DGGGSFQNPRKMEH-VQHPVUNQSA-N 1 3 309.498 2.663 20 0 DFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000431062426 429737116 /nfs/dbraw/zinc/73/71/16/429737116.db2.gz QCTLHQKCCFCFNS-RDJZCZTQSA-N 1 3 315.461 2.600 20 0 DFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCN(C)Cc1ccccc1 ZINC000450980927 429743695 /nfs/dbraw/zinc/74/36/95/429743695.db2.gz HCRCSOWOXNMIBM-MJGOQNOKSA-N 1 3 301.478 2.677 20 0 DFADHO COCC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCOCC1 ZINC000368200396 429806650 /nfs/dbraw/zinc/80/66/50/429806650.db2.gz JABLCNJQZNPDEO-UHFFFAOYSA-N 1 3 324.509 2.816 20 0 DFADHO c1ccc(C[N@H+]2CC[C@@H]3CN(CC4=CCCOC4)C[C@H]3C2)cc1 ZINC000367967380 429756231 /nfs/dbraw/zinc/75/62/31/429756231.db2.gz UWOOXKBWBMLTCK-WOJBJXKFSA-N 1 3 312.457 2.787 20 0 DFADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(CC4=CCCOC4)C[C@H]3C2)cc1 ZINC000367967380 429756232 /nfs/dbraw/zinc/75/62/32/429756232.db2.gz UWOOXKBWBMLTCK-WOJBJXKFSA-N 1 3 312.457 2.787 20 0 DFADHO OC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000367997816 429761825 /nfs/dbraw/zinc/76/18/25/429761825.db2.gz GLLMHZUEEBKOLF-CEXWTWQISA-N 1 3 314.473 2.792 20 0 DFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2[C@@H]1CCc2ccccc21 ZINC000368017764 429766433 /nfs/dbraw/zinc/76/64/33/429766433.db2.gz IDEBVVOVFCOFQH-OWYHZJEWSA-N 1 3 300.446 2.857 20 0 DFADHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527665515 429774930 /nfs/dbraw/zinc/77/49/30/429774930.db2.gz JIRSXVIHVFDDMT-WDSOQIARSA-N 1 3 319.537 2.961 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527692319 429780750 /nfs/dbraw/zinc/78/07/50/429780750.db2.gz SBFFKQFNKAFFPU-WBCYEJBOSA-N 1 3 314.473 2.777 20 0 DFADHO C[C@@H](CN1CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431912751 429790233 /nfs/dbraw/zinc/79/02/33/429790233.db2.gz JXEYIECEAQADRK-FUHWJXTLSA-N 1 3 321.509 2.774 20 0 DFADHO C[C@@H](CN1CCCCC1)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431912751 429790237 /nfs/dbraw/zinc/79/02/37/429790237.db2.gz JXEYIECEAQADRK-FUHWJXTLSA-N 1 3 321.509 2.774 20 0 DFADHO CC(C)[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccnc1 ZINC000432413387 429821347 /nfs/dbraw/zinc/82/13/47/429821347.db2.gz LYTLKVSSSTVVQD-SJLPKXTDSA-N 1 3 305.466 2.869 20 0 DFADHO CC(C)[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccnc1 ZINC000432413387 429821349 /nfs/dbraw/zinc/82/13/49/429821349.db2.gz LYTLKVSSSTVVQD-SJLPKXTDSA-N 1 3 305.466 2.869 20 0 DFADHO COc1ccc([C@@H](C)[NH2+]CC2COC2)cc1CN1CCCCC1 ZINC000528026204 429838306 /nfs/dbraw/zinc/83/83/06/429838306.db2.gz PVIFJRQEHKDNEH-OAHLLOKOSA-N 1 3 318.461 2.978 20 0 DFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CC12CC2 ZINC000527848516 429809727 /nfs/dbraw/zinc/80/97/27/429809727.db2.gz KKOIUZJRQAVUEG-APWZRJJASA-N 1 3 313.489 2.712 20 0 DFADHO CC1=C[C@H](C)C[C@H](C[NH+]2CCC(CN3CCN(C)CC3)CC2)C1 ZINC000368219248 429810181 /nfs/dbraw/zinc/81/01/81/429810181.db2.gz AUVWXULWVMCVRC-PXNSSMCTSA-N 1 3 319.537 2.938 20 0 DFADHO C[N@@H+]1CC[C@@H](CNCc2c[nH]c3nccnc23)[C@H]1c1ccccc1 ZINC000368229057 429813839 /nfs/dbraw/zinc/81/38/39/429813839.db2.gz SOWNCOIQQPYMAT-MAUKXSAKSA-N 1 3 321.428 2.692 20 0 DFADHO C[N@H+]1CC[C@@H](CNCc2c[nH]c3nccnc23)[C@H]1c1ccccc1 ZINC000368229057 429813842 /nfs/dbraw/zinc/81/38/42/429813842.db2.gz SOWNCOIQQPYMAT-MAUKXSAKSA-N 1 3 321.428 2.692 20 0 DFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369021051 429907866 /nfs/dbraw/zinc/90/78/66/429907866.db2.gz GXFAIHFYTGZEQA-ZWKOTPCHSA-N 1 3 321.509 2.585 20 0 DFADHO CCn1cc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)cn1 ZINC000369185872 429918088 /nfs/dbraw/zinc/91/80/88/429918088.db2.gz XZCCAJCGDFUSEG-IBGZPJMESA-N 1 3 312.461 2.905 20 0 DFADHO COc1ccc(CC[NH2+][C@H]2CCC[C@@H](N)C2)cc1OC(F)F ZINC000573458928 429954332 /nfs/dbraw/zinc/95/43/32/429954332.db2.gz KOYXYZACOYSQSX-OLZOCXBDSA-N 1 3 314.376 2.699 20 0 DFADHO COc1ccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)cc1OC(F)F ZINC000573458928 429954337 /nfs/dbraw/zinc/95/43/37/429954337.db2.gz KOYXYZACOYSQSX-OLZOCXBDSA-N 1 3 314.376 2.699 20 0 DFADHO CC1(C)CNCC[C@@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000634732609 430092767 /nfs/dbraw/zinc/09/27/67/430092767.db2.gz KIIFWENSQXWZFQ-CQSZACIVSA-N 1 3 321.431 2.771 20 0 DFADHO CC(C)(C)c1ncc2c(n1)CCN(CC[C@H]1CCC[NH2+]C1)C2 ZINC000530225257 430104888 /nfs/dbraw/zinc/10/48/88/430104888.db2.gz UYQZJJTWWQRHKM-CQSZACIVSA-N 1 3 302.466 2.522 20 0 DFADHO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCNC23CCC3)cc1F ZINC000530245121 430107788 /nfs/dbraw/zinc/10/77/88/430107788.db2.gz UMZNCTGMTUEZLF-GUYCJALGSA-N 1 3 306.425 2.887 20 0 DFADHO C[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ncccc1F ZINC000529689616 430051995 /nfs/dbraw/zinc/05/19/95/430051995.db2.gz PMCLPOVMHZUJBY-ZDUSSCGKSA-N 1 3 300.381 2.935 20 0 DFADHO COc1cc2c(cc1CN(C)CC1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000560513568 430052347 /nfs/dbraw/zinc/05/23/47/430052347.db2.gz WDVGMRWESZPFLB-CQSZACIVSA-N 1 3 318.461 2.792 20 0 DFADHO O[C@]1(CN[C@@H]2C[C@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634643554 430063565 /nfs/dbraw/zinc/06/35/65/430063565.db2.gz DRBXLUMTVMLBFA-HBMCJLEFSA-N 1 3 322.452 2.769 20 0 DFADHO O[C@]1(CN[C@@H]2C[C@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634643554 430063569 /nfs/dbraw/zinc/06/35/69/430063569.db2.gz DRBXLUMTVMLBFA-HBMCJLEFSA-N 1 3 322.452 2.769 20 0 DFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000561074575 430074935 /nfs/dbraw/zinc/07/49/35/430074935.db2.gz UVEATJRAGJRSNM-FUHWJXTLSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000561074575 430074939 /nfs/dbraw/zinc/07/49/39/430074939.db2.gz UVEATJRAGJRSNM-FUHWJXTLSA-N 1 3 317.477 2.526 20 0 DFADHO CC(C)[C@H](NCCOCC[NH+](C)C)c1ccc(F)cc1F ZINC000634683334 430075717 /nfs/dbraw/zinc/07/57/17/430075717.db2.gz OYSXQJFUYQSINR-INIZCTEOSA-N 1 3 300.393 2.830 20 0 DFADHO CCN(CC)[C@H](CNC(=O)CN1CC[C@H](C)C1)c1ccsc1 ZINC000561146918 430078775 /nfs/dbraw/zinc/07/87/75/430078775.db2.gz XLRLUTJBSYELJK-GOEBONIOSA-N 1 3 323.506 2.589 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccsc1 ZINC000561146918 430078778 /nfs/dbraw/zinc/07/87/78/430078778.db2.gz XLRLUTJBSYELJK-GOEBONIOSA-N 1 3 323.506 2.589 20 0 DFADHO CCN(CC)[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccsc1 ZINC000561146918 430078781 /nfs/dbraw/zinc/07/87/81/430078781.db2.gz XLRLUTJBSYELJK-GOEBONIOSA-N 1 3 323.506 2.589 20 0 DFADHO CC[NH+](CC)[C@H](CNC(=O)CN1CC[C@H](C)C1)c1ccsc1 ZINC000561146918 430078785 /nfs/dbraw/zinc/07/87/85/430078785.db2.gz XLRLUTJBSYELJK-GOEBONIOSA-N 1 3 323.506 2.589 20 0 DFADHO COc1cc2c(cc1OC)[C@@H](N(C)C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000637930254 430176373 /nfs/dbraw/zinc/17/63/73/430176373.db2.gz LQVDEPMBSXHZSM-PBHICJAKSA-N 1 3 318.461 2.965 20 0 DFADHO COc1cc2c(cc1OC)[C@@H](N(C)C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000637930254 430176378 /nfs/dbraw/zinc/17/63/78/430176378.db2.gz LQVDEPMBSXHZSM-PBHICJAKSA-N 1 3 318.461 2.965 20 0 DFADHO COc1ccc(CCC[NH2+][C@@H](C)[C@H]2CCCNC2)cc1OC ZINC000562747980 430176661 /nfs/dbraw/zinc/17/66/61/430176661.db2.gz DQSVQSRGVRJBIC-HOCLYGCPSA-N 1 3 306.450 2.614 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000580639002 430140533 /nfs/dbraw/zinc/14/05/33/430140533.db2.gz AIOOGUYNPNFODR-YJBOKZPZSA-N 1 3 303.450 2.691 20 0 DFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(C)CCCNC2)c1 ZINC000580639002 430140536 /nfs/dbraw/zinc/14/05/36/430140536.db2.gz AIOOGUYNPNFODR-YJBOKZPZSA-N 1 3 303.450 2.691 20 0 DFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCCc4sccc43)C2)CC1 ZINC000370638885 277029161 /nfs/dbraw/zinc/02/91/61/277029161.db2.gz ZZJCFEBCAFABLZ-WMLDXEAASA-N 1 3 319.518 2.884 20 0 DFADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000581185773 430186061 /nfs/dbraw/zinc/18/60/61/430186061.db2.gz GWQOPSWUXBXVEQ-KZNAEPCWSA-N 1 3 320.477 2.506 20 0 DFADHO Cc1c([C@@H](C)NCC2CC[NH2+]CC2)nnn1-c1ccc(C)cc1 ZINC000581185026 430186496 /nfs/dbraw/zinc/18/64/96/430186496.db2.gz CWUKEOCORWVJKT-CQSZACIVSA-N 1 3 313.449 2.534 20 0 DFADHO CC(C)C[C@@H](C[NH+]1CCC(NCCO)CC1)c1ccccc1 ZINC000635002258 430191315 /nfs/dbraw/zinc/19/13/15/430191315.db2.gz MPHKPOVXOMTCRD-SFHVURJKSA-N 1 3 304.478 2.863 20 0 DFADHO Cc1noc(C2CCC([NH2+][C@H]3CCNCC(C)(C)C3)CC2)n1 ZINC000635007782 430193287 /nfs/dbraw/zinc/19/32/87/430193287.db2.gz BJCHYBBWBZAWKU-NRXISQOPSA-N 1 3 306.454 2.772 20 0 DFADHO CC1(C)[C@H]([NH2+]CC[C@H](N)Cc2ccccc2)[C@@H]2CCCO[C@H]21 ZINC000635006886 430193538 /nfs/dbraw/zinc/19/35/38/430193538.db2.gz NCAXNFCYAILWTF-WNRNVDISSA-N 1 3 302.462 2.740 20 0 DFADHO C[C@@H](CC(=O)N(C)c1ccccc1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012329 430195172 /nfs/dbraw/zinc/19/51/72/430195172.db2.gz SNLDIYSROGIAPO-JKSUJKDBSA-N 1 3 317.477 2.796 20 0 DFADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc2c(c1)OCCO2 ZINC000635010464 430195553 /nfs/dbraw/zinc/19/55/53/430195553.db2.gz LWEBGFRXSKNWHO-AWEZNQCLSA-N 1 3 324.424 2.954 20 0 DFADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(-n2ccnn2)c1 ZINC000635011801 430195563 /nfs/dbraw/zinc/19/55/63/430195563.db2.gz PFJJEUDCXMWERJ-GOEBONIOSA-N 1 3 313.449 2.696 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@H](C)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000635010794 430195926 /nfs/dbraw/zinc/19/59/26/430195926.db2.gz BJLNDSAKKLPQPG-QRQLOZEOSA-N 1 3 301.478 2.547 20 0 DFADHO COc1ccsc1[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008450 430196370 /nfs/dbraw/zinc/19/63/70/430196370.db2.gz JWMLKYHCIUVDHO-LBPRGKRZSA-N 1 3 318.446 2.734 20 0 DFADHO Fc1ccc2c(c1)CC[C@@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635011068 430196464 /nfs/dbraw/zinc/19/64/64/430196464.db2.gz XFUHJBPIVNRGPG-KRWDZBQOSA-N 1 3 312.392 2.730 20 0 DFADHO CC(C)[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccnc1 ZINC000635010785 430196573 /nfs/dbraw/zinc/19/65/73/430196573.db2.gz VMSVTQJWTWVQQL-SFHVURJKSA-N 1 3 311.433 2.695 20 0 DFADHO CC(C)C1(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000637985420 430196847 /nfs/dbraw/zinc/19/68/47/430196847.db2.gz QVAOSLJBBMRTCD-QZTJIDSGSA-N 1 3 307.526 2.913 20 0 DFADHO Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCCC[C@@H]3N)C2)cc1 ZINC000635013011 430198695 /nfs/dbraw/zinc/19/86/95/430198695.db2.gz PVLLVDRAGONFQS-GBESFXJTSA-N 1 3 301.478 2.819 20 0 DFADHO Cc1ccc(CN2CC[C@H](N[C@@H]3CCCCC[C@@H]3[NH3+])C2)cc1 ZINC000635013011 430198697 /nfs/dbraw/zinc/19/86/97/430198697.db2.gz PVLLVDRAGONFQS-GBESFXJTSA-N 1 3 301.478 2.819 20 0 DFADHO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@@H]1CCCNC1 ZINC000635013779 430198881 /nfs/dbraw/zinc/19/88/81/430198881.db2.gz VRRNARPRVMLPGG-KBEGMRNHSA-N 1 3 306.425 2.881 20 0 DFADHO CC(C)CCNC(=[NH2+])NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000370160095 277354948 /nfs/dbraw/zinc/35/49/48/277354948.db2.gz FODIYWQVMLDTER-ZFWWWQNUSA-N 1 3 308.495 2.901 20 0 DFADHO CCN[C@H](C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000638064772 430224719 /nfs/dbraw/zinc/22/47/19/430224719.db2.gz WPWXFGYQSCKSJX-OAHLLOKOSA-N 1 3 303.450 2.855 20 0 DFADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248818318 277392258 /nfs/dbraw/zinc/39/22/58/277392258.db2.gz VKJGFHHWQLKSBM-XWTMOSNGSA-N 1 3 306.494 2.902 20 0 DFADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000194118845 277397167 /nfs/dbraw/zinc/39/71/67/277397167.db2.gz VKJGFHHWQLKSBM-BRSBDYLESA-N 1 3 306.494 2.902 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccsc1 ZINC000635280745 430244059 /nfs/dbraw/zinc/24/40/59/430244059.db2.gz WCCHVEACPSOMAT-ZBFHGGJFSA-N 1 3 323.506 2.589 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccsc1 ZINC000635280745 430244064 /nfs/dbraw/zinc/24/40/64/430244064.db2.gz WCCHVEACPSOMAT-ZBFHGGJFSA-N 1 3 323.506 2.589 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccsc1 ZINC000635280744 430245021 /nfs/dbraw/zinc/24/50/21/430245021.db2.gz WCCHVEACPSOMAT-HOCLYGCPSA-N 1 3 323.506 2.589 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccsc1 ZINC000635280744 430245024 /nfs/dbraw/zinc/24/50/24/430245024.db2.gz WCCHVEACPSOMAT-HOCLYGCPSA-N 1 3 323.506 2.589 20 0 DFADHO Cc1scc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1C ZINC000638138205 430248068 /nfs/dbraw/zinc/24/80/68/430248068.db2.gz XTRCUQUAZQPOFX-KDOFPFPSSA-N 1 3 321.534 2.823 20 0 DFADHO Cc1scc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1C ZINC000638138206 430249411 /nfs/dbraw/zinc/24/94/11/430249411.db2.gz XTRCUQUAZQPOFX-KSSFIOAISA-N 1 3 321.534 2.823 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCNC[C@H](C)C[NH+]1CCCC1 ZINC000581938577 430251771 /nfs/dbraw/zinc/25/17/71/430251771.db2.gz JXKHWLNGUMOMNR-AWEZNQCLSA-N 1 3 321.440 2.784 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H](C)CN1CCCC1 ZINC000581938577 430251774 /nfs/dbraw/zinc/25/17/74/430251774.db2.gz JXKHWLNGUMOMNR-AWEZNQCLSA-N 1 3 321.440 2.784 20 0 DFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635326088 430256182 /nfs/dbraw/zinc/25/61/82/430256182.db2.gz UFRZUOCYGXLTBQ-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635326088 430256187 /nfs/dbraw/zinc/25/61/87/430256187.db2.gz UFRZUOCYGXLTBQ-WMZOPIPTSA-N 1 3 321.509 2.632 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCOc2ccc(C(F)(F)F)cc2)C1 ZINC000566483873 430266636 /nfs/dbraw/zinc/26/66/36/430266636.db2.gz XNZWPWXBKUJKAA-OLZOCXBDSA-N 1 3 302.340 2.944 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NCCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000567179970 430279803 /nfs/dbraw/zinc/27/98/03/430279803.db2.gz ZWHLHWXWPUMAFV-OLZOCXBDSA-N 1 3 310.825 2.513 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000567179970 430279807 /nfs/dbraw/zinc/27/98/07/430279807.db2.gz ZWHLHWXWPUMAFV-OLZOCXBDSA-N 1 3 310.825 2.513 20 0 DFADHO COc1cc(CN2CCC(CC[NH3+])CC2)c(SC)cc1OC ZINC000568007661 430303307 /nfs/dbraw/zinc/30/33/07/430303307.db2.gz VSXWUIZRULDQET-UHFFFAOYSA-N 1 3 324.490 2.987 20 0 DFADHO CC(C)(O)C[NH+]1CCC(N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000638320442 430303911 /nfs/dbraw/zinc/30/39/11/430303911.db2.gz MCAGCCNDROVXEL-SFHVURJKSA-N 1 3 302.462 2.963 20 0 DFADHO CC[NH+](CC)Cc1ccccc1CNC[C@H](O)CC(F)(F)F ZINC000568077368 430314994 /nfs/dbraw/zinc/31/49/94/430314994.db2.gz ORFDLRYLGWYIOP-OAHLLOKOSA-N 1 3 318.383 2.931 20 0 DFADHO CCN1CCN(CCCC[NH2+]CCc2ccc(C)cc2)CC1 ZINC000638360866 430316361 /nfs/dbraw/zinc/31/63/61/430316361.db2.gz WBSKIZSXZZJHEX-UHFFFAOYSA-N 1 3 303.494 2.545 20 0 DFADHO [NH3+][C@H]1CCC[C@@H](NCCOc2cccc(Br)c2)C1 ZINC000568107715 430318393 /nfs/dbraw/zinc/31/83/93/430318393.db2.gz WITLKWXOMNZXTP-QWHCGFSZSA-N 1 3 313.239 2.687 20 0 DFADHO COc1cc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)sn1 ZINC000638372525 430320358 /nfs/dbraw/zinc/32/03/58/430320358.db2.gz XFOSXDAQDDFMEY-OKILXGFUSA-N 1 3 311.495 2.999 20 0 DFADHO COc1cc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)sn1 ZINC000638372525 430320362 /nfs/dbraw/zinc/32/03/62/430320362.db2.gz XFOSXDAQDDFMEY-OKILXGFUSA-N 1 3 311.495 2.999 20 0 DFADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)c2ccccc21 ZINC000582660034 430321091 /nfs/dbraw/zinc/32/10/91/430321091.db2.gz KYOBLXKQGAFYCG-JCURWCKSSA-N 1 3 312.392 2.534 20 0 DFADHO CSC[C@@H](O)CNCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000582959645 430350980 /nfs/dbraw/zinc/35/09/80/430350980.db2.gz HISUSFOFRFRSHN-SFHVURJKSA-N 1 3 322.518 2.732 20 0 DFADHO C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)N1CCC(C)CC1 ZINC000546015700 430342975 /nfs/dbraw/zinc/34/29/75/430342975.db2.gz VYQDKZLIRZPUHZ-QGZVFWFLSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)N1CCC(C)CC1 ZINC000546015700 430342978 /nfs/dbraw/zinc/34/29/78/430342978.db2.gz VYQDKZLIRZPUHZ-QGZVFWFLSA-N 1 3 323.525 2.878 20 0 DFADHO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000638454718 430347719 /nfs/dbraw/zinc/34/77/19/430347719.db2.gz NIYKXZBXTYSOMG-YJBOKZPZSA-N 1 3 321.509 2.678 20 0 DFADHO c1n[nH]c2c1CCC[C@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000568380973 430352475 /nfs/dbraw/zinc/35/24/75/430352475.db2.gz WARXSIQCJPHVFT-GPMSIDNRSA-N 1 3 324.428 2.633 20 0 DFADHO CC(C)(N)c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179848 430355114 /nfs/dbraw/zinc/35/51/14/430355114.db2.gz UEAJPKDTTBICSD-UHFFFAOYSA-N 1 3 313.449 2.506 20 0 DFADHO c1ccc(CCN2CC[C@@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000638522094 430366614 /nfs/dbraw/zinc/36/66/14/430366614.db2.gz XAVLUODCPKGBTJ-RBUKOAKNSA-N 1 3 302.462 2.710 20 0 DFADHO CO[C@@](C)(C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000638521279 430367064 /nfs/dbraw/zinc/36/70/64/430367064.db2.gz FBPUQDMFUZGSMM-QUCCMNQESA-N 1 3 316.489 2.956 20 0 DFADHO Cc1ncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1C ZINC000583155671 430371014 /nfs/dbraw/zinc/37/10/14/430371014.db2.gz ZILWZPYKHMCTLI-MAUKXSAKSA-N 1 3 312.461 2.871 20 0 DFADHO N[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000568646310 430378768 /nfs/dbraw/zinc/37/87/68/430378768.db2.gz DXOUFHNLGGWEPB-GOEBONIOSA-N 1 3 323.431 2.789 20 0 DFADHO CO[C@]1(CNCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCOC1 ZINC000638600577 430385201 /nfs/dbraw/zinc/38/52/01/430385201.db2.gz CNLZYCYVOFOPLA-YJBOKZPZSA-N 1 3 306.450 2.511 20 0 DFADHO CO[C@@H](CNC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000638667812 430404245 /nfs/dbraw/zinc/40/42/45/430404245.db2.gz DPCBVPXWNGBXDW-LPHOPBHVSA-N 1 3 324.509 2.672 20 0 DFADHO C[C@H](N[C@@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000583928700 430442832 /nfs/dbraw/zinc/44/28/32/430442832.db2.gz ZYHVCIMKPYRDKY-ZMSDIMECSA-N 1 3 305.441 2.772 20 0 DFADHO COc1ncc(C[NH2+]CC2CCN(c3ccncc3)CC2)s1 ZINC000638836562 430450741 /nfs/dbraw/zinc/45/07/41/430450741.db2.gz IHRAUBHZAWPGAH-UHFFFAOYSA-N 1 3 318.446 2.553 20 0 DFADHO COc1cc(C[C@@H](C)[NH2+]Cc2cccc(CN(C)C)c2)ccn1 ZINC000638851492 430454694 /nfs/dbraw/zinc/45/46/94/430454694.db2.gz MHLHQWDQPMDFGU-OAHLLOKOSA-N 1 3 313.445 2.873 20 0 DFADHO [NH3+]CCCCC(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638851474 430454798 /nfs/dbraw/zinc/45/47/98/430454798.db2.gz LUOQEDZTDHJJGR-GOSISDBHSA-N 1 3 317.477 2.676 20 0 DFADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638850698 430455553 /nfs/dbraw/zinc/45/55/53/430455553.db2.gz GTEAKSLSFPBNSL-BQFCYCMXSA-N 1 3 317.477 2.531 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)N(C)C ZINC000638867173 430460365 /nfs/dbraw/zinc/46/03/65/430460365.db2.gz YZRAWBIDCTYJJM-SUMDDJOVSA-N 1 3 301.478 2.894 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)N(C)C ZINC000638867174 430460605 /nfs/dbraw/zinc/46/06/05/430460605.db2.gz YZRAWBIDCTYJJM-SZVBFZGTSA-N 1 3 301.478 2.894 20 0 DFADHO CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCN(C(C)C)C2)CC1 ZINC000569507125 430461048 /nfs/dbraw/zinc/46/10/48/430461048.db2.gz BITSWJTWNDQLTH-KLHKWILBSA-N 1 3 310.482 2.818 20 0 DFADHO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000636110578 430463863 /nfs/dbraw/zinc/46/38/63/430463863.db2.gz DFAOOPHABGHDGJ-JQHSSLGASA-N 1 3 319.493 2.527 20 0 DFADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000569566626 430466392 /nfs/dbraw/zinc/46/63/92/430466392.db2.gz FBKRPDHCJQTGPR-ZWKOTPCHSA-N 1 3 315.461 2.559 20 0 DFADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]CCCN1CCC1 ZINC000584182945 430466967 /nfs/dbraw/zinc/46/69/67/430466967.db2.gz QBFJLDOKQBPYNT-UHFFFAOYSA-N 1 3 303.494 2.830 20 0 DFADHO CCCc1nc(C)c(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)o1 ZINC000641799859 430477370 /nfs/dbraw/zinc/47/73/70/430477370.db2.gz RPILREJRNHJBSH-QAPCUYQASA-N 1 3 321.465 2.654 20 0 DFADHO Cc1ccc(CCNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000638751726 430423800 /nfs/dbraw/zinc/42/38/00/430423800.db2.gz SKMNPFMGZRPNGU-PMACEKPBSA-N 1 3 316.489 2.895 20 0 DFADHO CCN(C[C@H]1CCCN1CC)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000583789575 430427631 /nfs/dbraw/zinc/42/76/31/430427631.db2.gz NNIDXWRHEMVVTF-MSOLQXFVSA-N 1 3 321.509 2.726 20 0 DFADHO CCN(C[C@H]1CCCN1CC)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000583789575 430427633 /nfs/dbraw/zinc/42/76/33/430427633.db2.gz NNIDXWRHEMVVTF-MSOLQXFVSA-N 1 3 321.509 2.726 20 0 DFADHO Cc1nn(-c2ccncc2)cc1CNCc1ccc([C@H](C)[NH3+])cc1 ZINC000569200177 430432473 /nfs/dbraw/zinc/43/24/73/430432473.db2.gz UOYPBUJWHVHWNV-AWEZNQCLSA-N 1 3 321.428 2.885 20 0 DFADHO CCCc1nc(C)c(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000641823617 430483385 /nfs/dbraw/zinc/48/33/85/430483385.db2.gz STXDVZSMBVDLAG-HRCADAONSA-N 1 3 321.465 2.654 20 0 DFADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCCc3sccc32)CC1 ZINC000639053579 430503543 /nfs/dbraw/zinc/50/35/43/430503543.db2.gz IXRKOWFINDNDCS-HNNXBMFYSA-N 1 3 308.491 2.950 20 0 DFADHO CC[C@H](C(=O)N1CC[C@H](C[NH3+])c2ccccc21)N(CC)CC ZINC000639068618 430511313 /nfs/dbraw/zinc/51/13/13/430511313.db2.gz YDZCXQATDLJTSZ-GDBMZVCRSA-N 1 3 303.450 2.586 20 0 DFADHO CC(C)CN1CCC([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000570154823 430519122 /nfs/dbraw/zinc/51/91/22/430519122.db2.gz FVVRSUNMRFLTDB-GOSISDBHSA-N 1 3 324.896 2.953 20 0 DFADHO C[N@@H+]1CCC[C@H](CCNCc2cnc(-c3ccccc3)nc2)C1 ZINC000570174923 430519642 /nfs/dbraw/zinc/51/96/42/430519642.db2.gz LHARHTMEHNCAQC-MRXNPFEDSA-N 1 3 310.445 2.965 20 0 DFADHO C[N@H+]1CCC[C@H](CCNCc2cnc(-c3ccccc3)nc2)C1 ZINC000570174923 430519647 /nfs/dbraw/zinc/51/96/47/430519647.db2.gz LHARHTMEHNCAQC-MRXNPFEDSA-N 1 3 310.445 2.965 20 0 DFADHO Cc1ncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)n1C ZINC000570175403 430519700 /nfs/dbraw/zinc/51/97/00/430519700.db2.gz CPNNMYZEWMHKOY-DNVCBOLYSA-N 1 3 312.461 2.729 20 0 DFADHO CCSc1cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)ccn1 ZINC000639094259 430520062 /nfs/dbraw/zinc/52/00/62/430520062.db2.gz QVIKOEDVACPIPZ-UHFFFAOYSA-N 1 3 323.506 2.519 20 0 DFADHO C[C@@H]1CCCc2ccccc2[C@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000570202042 430522284 /nfs/dbraw/zinc/52/22/84/430522284.db2.gz AZCXCNRBYFYLRA-BJZITVGISA-N 1 3 302.462 2.745 20 0 DFADHO C[C@@H]1CCCc2ccccc2[C@H]1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000570202042 430522289 /nfs/dbraw/zinc/52/22/89/430522289.db2.gz AZCXCNRBYFYLRA-BJZITVGISA-N 1 3 302.462 2.745 20 0 DFADHO CC[NH+](CC)CC1CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000642643674 430524412 /nfs/dbraw/zinc/52/44/12/430524412.db2.gz UCHNHRSOQXPBRQ-KRWDZBQOSA-N 1 3 318.461 2.880 20 0 DFADHO COc1cc(C)c(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c(C)n1 ZINC000357071147 277803552 /nfs/dbraw/zinc/80/35/52/277803552.db2.gz GHVMLHQWCSQVPA-MRXNPFEDSA-N 1 3 303.450 2.529 20 0 DFADHO COc1ccc(COCCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000643064217 430548040 /nfs/dbraw/zinc/54/80/40/430548040.db2.gz XLPGSNNYAFOHBL-MJGOQNOKSA-N 1 3 318.461 2.676 20 0 DFADHO COc1cccc(OC)c1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639176857 430555244 /nfs/dbraw/zinc/55/52/44/430555244.db2.gz LWBUZMKRWJEAGR-MRXNPFEDSA-N 1 3 318.461 2.868 20 0 DFADHO CC(C)CN1CCCC[C@@H]1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000552062656 430583004 /nfs/dbraw/zinc/58/30/04/430583004.db2.gz CGDHHUSETGNKCB-FCGDIQPGSA-N 1 3 307.526 2.959 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CCCC[NH+](C)C ZINC000552118595 430585600 /nfs/dbraw/zinc/58/56/00/430585600.db2.gz OEORISUALWJUEI-UHFFFAOYSA-N 1 3 319.493 2.829 20 0 DFADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453310 430601993 /nfs/dbraw/zinc/60/19/93/430601993.db2.gz ZVHJUVHCSURSSX-JKIFEVAISA-N 1 3 307.869 2.754 20 0 DFADHO C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)(N(C)C)C1 ZINC000552223295 430591667 /nfs/dbraw/zinc/59/16/67/430591667.db2.gz MMNAGPYQIJMRFD-ZRSRNVLSSA-N 1 3 307.526 2.959 20 0 DFADHO Clc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCNCC3)C2)cc1 ZINC000643453246 430602238 /nfs/dbraw/zinc/60/22/38/430602238.db2.gz SZGDJXGCSCFGMO-HOCLYGCPSA-N 1 3 307.869 2.898 20 0 DFADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455369 430602451 /nfs/dbraw/zinc/60/24/51/430602451.db2.gz AJGCDVSPDWZHBZ-OUCADQQQSA-N 1 3 315.383 3.000 20 0 DFADHO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc2c1CCNC2 ZINC000571056407 430599937 /nfs/dbraw/zinc/59/99/37/430599937.db2.gz PXNZLEQRUZMWIE-UHFFFAOYSA-N 1 3 318.465 2.528 20 0 DFADHO C[C@H](NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000643454234 430602818 /nfs/dbraw/zinc/60/28/18/430602818.db2.gz OEQNMJLBAWHCNZ-YTQUADARSA-N 1 3 301.478 2.801 20 0 DFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453209 430602863 /nfs/dbraw/zinc/60/28/63/430602863.db2.gz OXZKIMLVGRIBLE-GLJUWKHASA-N 1 3 323.431 2.769 20 0 DFADHO CCN(Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1)C1CC1 ZINC000571101779 430603843 /nfs/dbraw/zinc/60/38/43/430603843.db2.gz CSLSMLYPMLIFHI-WMLDXEAASA-N 1 3 315.461 2.623 20 0 DFADHO C[C@H](NCCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000643458048 430604877 /nfs/dbraw/zinc/60/48/77/430604877.db2.gz ABMVQIFDEVZGOW-LSDHHAIUSA-N 1 3 316.424 2.532 20 0 DFADHO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@@H]1CCCNC1 ZINC000643464290 430605742 /nfs/dbraw/zinc/60/57/42/430605742.db2.gz GARJUACZOKCKCC-ZIAGYGMSSA-N 1 3 307.507 2.932 20 0 DFADHO C[C@@H](NCCCc1nc2c(s1)CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000643464290 430605743 /nfs/dbraw/zinc/60/57/43/430605743.db2.gz GARJUACZOKCKCC-ZIAGYGMSSA-N 1 3 307.507 2.932 20 0 DFADHO C[C@@H](NCCCc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000643469447 430606040 /nfs/dbraw/zinc/60/60/40/430606040.db2.gz WEVUGOSFPXMUKA-TZMCWYRMSA-N 1 3 311.267 2.969 20 0 DFADHO CC[C@@H](C)[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)OC ZINC000639310773 430606504 /nfs/dbraw/zinc/60/65/04/430606504.db2.gz HFLTYZLCXABYMS-APWZRJJASA-N 1 3 319.493 2.944 20 0 DFADHO COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1C[C@@H](N)c3ccccc31)C2 ZINC000643477732 430607025 /nfs/dbraw/zinc/60/70/25/430607025.db2.gz IAMWLYVXGLXWTD-XWIAVFTESA-N 1 3 310.397 2.733 20 0 DFADHO c1ccc2c(c1)CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000643478090 430607266 /nfs/dbraw/zinc/60/72/66/430607266.db2.gz XZVMFARSVGMFDT-MVJPYGJCSA-N 1 3 314.473 2.538 20 0 DFADHO Clc1ccccc1CN1CCC(NCC[NH2+]C2CC2)CC1 ZINC000643506430 430610722 /nfs/dbraw/zinc/61/07/22/430610722.db2.gz WMDIGXRPAXSMPS-UHFFFAOYSA-N 1 3 307.869 2.646 20 0 DFADHO COc1cc([C@@H](C)N[C@H]2CC23CC[NH2+]CC3)cc(OC)c1OC ZINC000643534055 430613145 /nfs/dbraw/zinc/61/31/45/430613145.db2.gz KIQWUQMWMYNKEJ-WBMJQRKESA-N 1 3 320.433 2.505 20 0 DFADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)CN1Cc1ccccc1 ZINC000643545951 430616272 /nfs/dbraw/zinc/61/62/72/430616272.db2.gz FYEGNDVXLXDMDK-QRQLOZEOSA-N 1 3 313.489 2.914 20 0 DFADHO CO[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000639359407 430619531 /nfs/dbraw/zinc/61/95/31/430619531.db2.gz MGFABKKLWUWVGO-KFKAGJAMSA-N 1 3 302.462 2.769 20 0 DFADHO CO[C@H](CNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000639359407 430619533 /nfs/dbraw/zinc/61/95/33/430619533.db2.gz MGFABKKLWUWVGO-KFKAGJAMSA-N 1 3 302.462 2.769 20 0 DFADHO CO[C@H](CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000639359407 430619535 /nfs/dbraw/zinc/61/95/35/430619535.db2.gz MGFABKKLWUWVGO-KFKAGJAMSA-N 1 3 302.462 2.769 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639359628 430619777 /nfs/dbraw/zinc/61/97/77/430619777.db2.gz OLSHRRJRQOJZBL-BHIYHBOVSA-N 1 3 302.462 2.913 20 0 DFADHO Cc1ccc(NC(=O)CCCC[NH+](C)C)c(OCCN(C)C)c1 ZINC000571337689 430620287 /nfs/dbraw/zinc/62/02/87/430620287.db2.gz WRFWSMRWHXDDGT-UHFFFAOYSA-N 1 3 321.465 2.606 20 0 DFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3scnc3C3CC3)CC2)C1 ZINC000571385703 430623900 /nfs/dbraw/zinc/62/39/00/430623900.db2.gz WXBGPXPADCURQY-GJZGRUSLSA-N 1 3 321.490 2.739 20 0 DFADHO C[C@H](CCNCCC(=O)Nc1ccccc1)[NH+]1CCCCC1 ZINC000571397620 430625391 /nfs/dbraw/zinc/62/53/91/430625391.db2.gz MHYWFOWVCSRZLX-MRXNPFEDSA-N 1 3 303.450 2.869 20 0 DFADHO C[C@H](CC[NH2+]CCC(=O)Nc1ccccc1)N1CCCCC1 ZINC000571397620 430625395 /nfs/dbraw/zinc/62/53/95/430625395.db2.gz MHYWFOWVCSRZLX-MRXNPFEDSA-N 1 3 303.450 2.869 20 0 DFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000643910779 430641898 /nfs/dbraw/zinc/64/18/98/430641898.db2.gz AHZMTGDJCSGZDK-ZSYWTGECSA-N 1 3 300.446 2.666 20 0 DFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](N[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000643910779 430641900 /nfs/dbraw/zinc/64/19/00/430641900.db2.gz AHZMTGDJCSGZDK-ZSYWTGECSA-N 1 3 300.446 2.666 20 0 DFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000643910779 430641902 /nfs/dbraw/zinc/64/19/02/430641902.db2.gz AHZMTGDJCSGZDK-ZSYWTGECSA-N 1 3 300.446 2.666 20 0 DFADHO CC[NH+]1CCC(CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000572031810 430669426 /nfs/dbraw/zinc/66/94/26/430669426.db2.gz PDXSCLJGKKEYEH-KRWDZBQOSA-N 1 3 317.477 2.561 20 0 DFADHO CC(C)(C)N1CCC([NH2+]CCC(=O)Nc2ccccc2)CC1 ZINC000555573857 430670263 /nfs/dbraw/zinc/67/02/63/430670263.db2.gz CTYZIMGPIAZEEM-UHFFFAOYSA-N 1 3 303.450 2.868 20 0 DFADHO CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCN(CC)CC1 ZINC000572488977 430688336 /nfs/dbraw/zinc/68/83/36/430688336.db2.gz ODKGMIVAKQXWHK-NVXWUHKLSA-N 1 3 309.498 2.535 20 0 DFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1(C)CC1 ZINC000361968809 278266893 /nfs/dbraw/zinc/26/68/93/278266893.db2.gz REDXIANXHUJKGV-HNNXBMFYSA-N 1 3 302.462 2.922 20 0 DFADHO C[C@H](c1ccccc1F)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177376706 278312484 /nfs/dbraw/zinc/31/24/84/278312484.db2.gz YDDCWKCNULAZGV-OAHLLOKOSA-N 1 3 307.457 2.845 20 0 DFADHO Cc1cc(CN)cc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)c1 ZINC000648180233 430699942 /nfs/dbraw/zinc/69/99/42/430699942.db2.gz KTMRMXOIEIGSSQ-UHFFFAOYSA-N 1 3 323.440 2.714 20 0 DFADHO CC(C)(C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H](N)c1ccccc1 ZINC000648187449 430703228 /nfs/dbraw/zinc/70/32/28/430703228.db2.gz QJDVIOGTIUFJDZ-CVEARBPZSA-N 1 3 315.461 2.504 20 0 DFADHO CCn1nc(C)c(CNCC2CC[NH+](CC3CC3)CC2)c1C ZINC000657813641 430743024 /nfs/dbraw/zinc/74/30/24/430743024.db2.gz VYOICDXNQSGCRJ-UHFFFAOYSA-N 1 3 304.482 2.731 20 0 DFADHO Cc1ccc2nc(CNCC3CC[NH+](CC4CC4)CC3)cn2c1 ZINC000657814140 430744924 /nfs/dbraw/zinc/74/49/24/430744924.db2.gz IDGLBGSFSSWNOQ-UHFFFAOYSA-N 1 3 312.461 2.854 20 0 DFADHO C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC1(O)CCN(C)CC1 ZINC000657887660 430761280 /nfs/dbraw/zinc/76/12/80/430761280.db2.gz NRLUENKMHSJBOG-INIZCTEOSA-N 1 3 316.489 2.543 20 0 DFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cc2cnccc2o1 ZINC000657901293 430763434 /nfs/dbraw/zinc/76/34/34/430763434.db2.gz BHTHXBGMBSMLSW-UKRRQHHQSA-N 1 3 305.422 2.835 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]C2CC(CF)(CF)C2)C[C@@H](C)O1 ZINC000657919532 430767681 /nfs/dbraw/zinc/76/76/81/430767681.db2.gz NAJZIYUVDHITQN-ZIAGYGMSSA-N 1 3 304.425 2.553 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)[C@H]1C[C@@H]1C ZINC000658135298 430820609 /nfs/dbraw/zinc/82/06/09/430820609.db2.gz CZLKIXKVHGPKHA-QZHFEQFPSA-N 1 3 302.462 2.777 20 0 DFADHO CC[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C1CCC1 ZINC000658136415 430820924 /nfs/dbraw/zinc/82/09/24/430820924.db2.gz IEPVQRUHIOKYHX-OALUTQOASA-N 1 3 302.462 2.922 20 0 DFADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)C1 ZINC000658137152 430822961 /nfs/dbraw/zinc/82/29/61/430822961.db2.gz JBPZBOJLFPTPRG-OKYOBFRVSA-N 1 3 300.446 2.531 20 0 DFADHO C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658139289 430823537 /nfs/dbraw/zinc/82/35/37/430823537.db2.gz QMCCFDTWXAFWQY-BEFAXECRSA-N 1 3 314.429 2.567 20 0 DFADHO CN(C)CCOc1ccc(C[NH2+]C[C@H]2CCOC(C)(C)C2)cc1 ZINC000651596159 430826585 /nfs/dbraw/zinc/82/65/85/430826585.db2.gz IAUMXDFGUSKBKM-KRWDZBQOSA-N 1 3 320.477 2.922 20 0 DFADHO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000658163292 430830193 /nfs/dbraw/zinc/83/01/93/430830193.db2.gz NYKPZGZICWBLIM-ZVZYQTTQSA-N 1 3 306.450 2.845 20 0 DFADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CCCOC1 ZINC000658167282 430833129 /nfs/dbraw/zinc/83/31/29/430833129.db2.gz RKIBHPIWQWNYJW-APWZRJJASA-N 1 3 317.477 2.698 20 0 DFADHO CC[C@H]1C[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)CCO1 ZINC000648446907 430790761 /nfs/dbraw/zinc/79/07/61/430790761.db2.gz IBNUHSLMCRONIU-ROUUACIJSA-N 1 3 320.477 2.717 20 0 DFADHO C[NH+]1CCC(O)(CN[C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651720677 430858321 /nfs/dbraw/zinc/85/83/21/430858321.db2.gz HKWVEHMKUJBILB-CYBMUJFWSA-N 1 3 312.816 2.513 20 0 DFADHO COC[C@@H](CC(C)(C)C)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000651719628 430858736 /nfs/dbraw/zinc/85/87/36/430858736.db2.gz ZSHFLBADLLWJBA-NVXWUHKLSA-N 1 3 312.498 2.528 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1noc2ccccc12 ZINC000665232237 430862259 /nfs/dbraw/zinc/86/22/59/430862259.db2.gz JCLCTAGZOXDLRZ-GFCCVEGCSA-N 1 3 310.401 2.883 20 0 DFADHO C[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(OCCN(C)C)cc1 ZINC000658285559 430863524 /nfs/dbraw/zinc/86/35/24/430863524.db2.gz XBWVXMMPDQVOAU-HJOIGYKYSA-N 1 3 320.477 2.829 20 0 DFADHO C[C@@H]1CCN(C/C=C\C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661850637 430865841 /nfs/dbraw/zinc/86/58/41/430865841.db2.gz LTNDWJBNTOOTNX-QXINXSKUSA-N 1 3 310.482 2.541 20 0 DFADHO C[C@@H]1CCN(C/C=C\C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661850637 430865845 /nfs/dbraw/zinc/86/58/45/430865845.db2.gz LTNDWJBNTOOTNX-QXINXSKUSA-N 1 3 310.482 2.541 20 0 DFADHO C[C@@H]1[C@H](O)CCCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648723995 430871346 /nfs/dbraw/zinc/87/13/46/430871346.db2.gz LCYMPBNDISHDFH-VQIMIIECSA-N 1 3 318.461 2.506 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccsc1 ZINC000648733465 430874061 /nfs/dbraw/zinc/87/40/61/430874061.db2.gz VBJNLIUWJGCETE-BMFZPTHFSA-N 1 3 323.506 2.587 20 0 DFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccsc1 ZINC000648733465 430874064 /nfs/dbraw/zinc/87/40/64/430874064.db2.gz VBJNLIUWJGCETE-BMFZPTHFSA-N 1 3 323.506 2.587 20 0 DFADHO CCO[C@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@H]1C ZINC000648741095 430876294 /nfs/dbraw/zinc/87/62/94/430876294.db2.gz VGXRVLDTFMMIDP-LPHOPBHVSA-N 1 3 320.477 2.874 20 0 DFADHO CCO[C@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@H]1C ZINC000648741095 430876297 /nfs/dbraw/zinc/87/62/97/430876297.db2.gz VGXRVLDTFMMIDP-LPHOPBHVSA-N 1 3 320.477 2.874 20 0 DFADHO CCO[C@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC000648741095 430876300 /nfs/dbraw/zinc/87/63/00/430876300.db2.gz VGXRVLDTFMMIDP-LPHOPBHVSA-N 1 3 320.477 2.874 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000665266529 430876523 /nfs/dbraw/zinc/87/65/23/430876523.db2.gz DMSJUUXMDFBNMR-BLLLJJGKSA-N 1 3 315.392 2.642 20 0 DFADHO Fc1ccc2c(c1)OC[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000665266691 430877074 /nfs/dbraw/zinc/87/70/74/430877074.db2.gz HXJLBKQDROITTA-LTIDMASMSA-N 1 3 304.409 2.640 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665267238 430877222 /nfs/dbraw/zinc/87/72/22/430877222.db2.gz SJLJMBSYQCZCQI-NVXWUHKLSA-N 1 3 316.493 2.906 20 0 DFADHO Cc1nc(CN)ccc1[C@@H](C)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665267238 430877225 /nfs/dbraw/zinc/87/72/25/430877225.db2.gz SJLJMBSYQCZCQI-NVXWUHKLSA-N 1 3 316.493 2.906 20 0 DFADHO Fc1ccc(OC(F)F)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000665283860 430882971 /nfs/dbraw/zinc/88/29/71/430882971.db2.gz WJLLYKLEGVWEKL-MISXGVKJSA-N 1 3 314.351 2.905 20 0 DFADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1 ZINC000665289761 430886041 /nfs/dbraw/zinc/88/60/41/430886041.db2.gz WPDGSBXYGDIOEE-WNRNVDISSA-N 1 3 315.461 2.587 20 0 DFADHO N[C@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1 ZINC000665289761 430886046 /nfs/dbraw/zinc/88/60/46/430886046.db2.gz WPDGSBXYGDIOEE-WNRNVDISSA-N 1 3 315.461 2.587 20 0 DFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc3cnccc3o2)C1 ZINC000651647606 430839413 /nfs/dbraw/zinc/83/94/13/430839413.db2.gz XGVSMVVIWMNZGH-MRXNPFEDSA-N 1 3 317.433 2.761 20 0 DFADHO COc1cc(OC)c(CNCC[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000651830031 430891325 /nfs/dbraw/zinc/89/13/25/430891325.db2.gz XYKIUMAPGZDMMB-ZDUSSCGKSA-N 1 3 310.413 2.664 20 0 DFADHO COc1cc(OC)c(CNCC[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000651830031 430891333 /nfs/dbraw/zinc/89/13/33/430891333.db2.gz XYKIUMAPGZDMMB-ZDUSSCGKSA-N 1 3 310.413 2.664 20 0 DFADHO COC[C@@H]1CCCCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648856763 430915460 /nfs/dbraw/zinc/91/54/60/430915460.db2.gz AMOKSHLSLFSDAW-KRWDZBQOSA-N 1 3 306.450 2.628 20 0 DFADHO CC(C)N1CCN(CCC[NH2+][C@H](C)C2CCC(F)CC2)CC1 ZINC000661997460 430916249 /nfs/dbraw/zinc/91/62/49/430916249.db2.gz ANNWITQPDCUQOA-WWDZGPRUSA-N 1 3 313.505 2.909 20 0 DFADHO CC(C)[NH+](CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1)C(C)C ZINC000645166974 430922221 /nfs/dbraw/zinc/92/22/21/430922221.db2.gz BZNXGZFPSQRVBB-KRWDZBQOSA-N 1 3 319.493 2.948 20 0 DFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000648907501 430932223 /nfs/dbraw/zinc/93/22/23/430932223.db2.gz BEFOLZSYAFWRKP-SJLPKXTDSA-N 1 3 321.509 2.773 20 0 DFADHO OC[C@H](CCF)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000652020149 430938010 /nfs/dbraw/zinc/93/80/10/430938010.db2.gz MJNZOLLHVRDHGX-INDMIFKZSA-N 1 3 320.452 2.597 20 0 DFADHO OC[C@H](CCF)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000652020149 430938014 /nfs/dbraw/zinc/93/80/14/430938014.db2.gz MJNZOLLHVRDHGX-INDMIFKZSA-N 1 3 320.452 2.597 20 0 DFADHO OC[C@H](CCF)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000652020149 430938019 /nfs/dbraw/zinc/93/80/19/430938019.db2.gz MJNZOLLHVRDHGX-INDMIFKZSA-N 1 3 320.452 2.597 20 0 DFADHO CNCc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659019815 430941351 /nfs/dbraw/zinc/94/13/51/430941351.db2.gz RIUGMVCQPXNRIV-CQSZACIVSA-N 1 3 318.465 2.648 20 0 DFADHO CNCc1ccccc1NC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659019815 430941356 /nfs/dbraw/zinc/94/13/56/430941356.db2.gz RIUGMVCQPXNRIV-CQSZACIVSA-N 1 3 318.465 2.648 20 0 DFADHO CNCc1cccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659018713 430942258 /nfs/dbraw/zinc/94/22/58/430942258.db2.gz LMNNDPZFRMRNKD-OAHLLOKOSA-N 1 3 318.465 2.648 20 0 DFADHO CNCc1cccc(NC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659018713 430942263 /nfs/dbraw/zinc/94/22/63/430942263.db2.gz LMNNDPZFRMRNKD-OAHLLOKOSA-N 1 3 318.465 2.648 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652153318 430974633 /nfs/dbraw/zinc/97/46/33/430974633.db2.gz GURVQHKUVMVRNG-GOSISDBHSA-N 1 3 317.477 2.749 20 0 DFADHO C[C@@H]1C[N@H+](C[C@H]2CCC3(CNC3)O2)CC[C@@H]1c1ccccc1 ZINC000662257543 431019651 /nfs/dbraw/zinc/01/96/51/431019651.db2.gz POTRFTZIJIJPKU-NXHRZFHOSA-N 1 3 300.446 2.633 20 0 DFADHO C[C@@H]1C[N@@H+](C[C@H]2CCC3(CNC3)O2)CC[C@@H]1c1ccccc1 ZINC000662257543 431019655 /nfs/dbraw/zinc/01/96/55/431019655.db2.gz POTRFTZIJIJPKU-NXHRZFHOSA-N 1 3 300.446 2.633 20 0 DFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCc3nsc4ccccc43)C[C@@H]21 ZINC000662266194 431022391 /nfs/dbraw/zinc/02/23/91/431022391.db2.gz KMNREYPYPVGZMG-AEGPPILISA-N 1 3 301.459 2.898 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000652355202 431029784 /nfs/dbraw/zinc/02/97/84/431029784.db2.gz QVIJBIWHSWKVCY-GUYCJALGSA-N 1 3 321.440 2.912 20 0 DFADHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000652355202 431029789 /nfs/dbraw/zinc/02/97/89/431029789.db2.gz QVIJBIWHSWKVCY-GUYCJALGSA-N 1 3 321.440 2.912 20 0 DFADHO Cc1c(F)cccc1NC(=O)CCN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355202 431029790 /nfs/dbraw/zinc/02/97/90/431029790.db2.gz QVIJBIWHSWKVCY-GUYCJALGSA-N 1 3 321.440 2.912 20 0 DFADHO COc1ccc(COCCN2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000652354831 431030009 /nfs/dbraw/zinc/03/00/09/431030009.db2.gz JMRIXBMAMBBRLN-QAPCUYQASA-N 1 3 306.450 2.661 20 0 DFADHO c1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c2c(c1)CNCC2 ZINC000662284637 431032237 /nfs/dbraw/zinc/03/22/37/431032237.db2.gz YNPPJHRJBXXPGJ-MJGOQNOKSA-N 1 3 300.446 2.723 20 0 DFADHO c1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c2c(c1)CNCC2 ZINC000662284637 431032240 /nfs/dbraw/zinc/03/22/40/431032240.db2.gz YNPPJHRJBXXPGJ-MJGOQNOKSA-N 1 3 300.446 2.723 20 0 DFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCOc2ccc(F)cc2)C1 ZINC000652360789 431033163 /nfs/dbraw/zinc/03/31/63/431033163.db2.gz QJSNTBUHJWKBAN-NJAFHUGGSA-N 1 3 322.424 2.565 20 0 DFADHO Cc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(C)n1 ZINC000652364144 431033571 /nfs/dbraw/zinc/03/35/71/431033571.db2.gz ZLZVKNQIUIXLLL-KSZLIROESA-N 1 3 303.450 2.559 20 0 DFADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291000 431034430 /nfs/dbraw/zinc/03/44/30/431034430.db2.gz AZKZOQAJOYNIOB-WMZOPIPTSA-N 1 3 323.525 2.591 20 0 DFADHO Fc1ccc(OCCN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290576 431035515 /nfs/dbraw/zinc/03/55/15/431035515.db2.gz WUGSWOORVDYMIN-INIZCTEOSA-N 1 3 306.425 2.916 20 0 DFADHO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)CNCC3)cn1 ZINC000662311555 431042279 /nfs/dbraw/zinc/04/22/79/431042279.db2.gz UKHNTQREGGDIQO-UYAOXDASSA-N 1 3 324.472 2.567 20 0 DFADHO C[C@@H]1CCCN(CC(=O)N(C)[C@H]2CCCC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313586 431044408 /nfs/dbraw/zinc/04/44/08/431044408.db2.gz IZZSBBIRSBHGKF-XWTMOSNGSA-N 1 3 323.525 2.863 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328244 431048573 /nfs/dbraw/zinc/04/85/73/431048573.db2.gz PSQRFUSWGLSDBZ-WWFYLNGCSA-N 1 3 322.452 2.538 20 0 DFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328244 431048578 /nfs/dbraw/zinc/04/85/78/431048578.db2.gz PSQRFUSWGLSDBZ-WWFYLNGCSA-N 1 3 322.452 2.538 20 0 DFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC2CC1(c1ccccc1)C2 ZINC000662328244 431048583 /nfs/dbraw/zinc/04/85/83/431048583.db2.gz PSQRFUSWGLSDBZ-WWFYLNGCSA-N 1 3 322.452 2.538 20 0 DFADHO CN(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253912 431015444 /nfs/dbraw/zinc/01/54/44/431015444.db2.gz YODODARVNCUMHC-AWEZNQCLSA-N 1 3 314.351 2.658 20 0 DFADHO Clc1ccccc1[C@H]1CCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250278 431016306 /nfs/dbraw/zinc/01/63/06/431016306.db2.gz CZCORYSBBLBCOD-CZUORRHYSA-N 1 3 306.837 2.998 20 0 DFADHO Clc1ccccc1[C@H]1CCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250279 431016383 /nfs/dbraw/zinc/01/63/83/431016383.db2.gz CZCORYSBBLBCOD-XJKSGUPXSA-N 1 3 306.837 2.998 20 0 DFADHO CCC[N@H+](CCc1cccc(F)c1)C[C@H]1CCC2(CNC2)O1 ZINC000662254383 431016677 /nfs/dbraw/zinc/01/66/77/431016677.db2.gz HULKHMZHDLAXKK-QGZVFWFLSA-N 1 3 306.425 2.601 20 0 DFADHO CCC[N@@H+](CCc1cccc(F)c1)C[C@H]1CCC2(CNC2)O1 ZINC000662254383 431016679 /nfs/dbraw/zinc/01/66/79/431016679.db2.gz HULKHMZHDLAXKK-QGZVFWFLSA-N 1 3 306.425 2.601 20 0 DFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3NCC3(C)C)cc2)C1 ZINC000645502749 431017562 /nfs/dbraw/zinc/01/75/62/431017562.db2.gz MJOJCHHPMYZOOJ-YOEHRIQHSA-N 1 3 315.461 2.855 20 0 DFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3NCC3(C)C)cc2)C1 ZINC000645502749 431017565 /nfs/dbraw/zinc/01/75/65/431017565.db2.gz MJOJCHHPMYZOOJ-YOEHRIQHSA-N 1 3 315.461 2.855 20 0 DFADHO Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662258122 431019286 /nfs/dbraw/zinc/01/92/86/431019286.db2.gz SCGYBKRWJNMUNQ-ZWKOTPCHSA-N 1 3 300.446 2.523 20 0 DFADHO Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662258122 431019290 /nfs/dbraw/zinc/01/92/90/431019290.db2.gz SCGYBKRWJNMUNQ-ZWKOTPCHSA-N 1 3 300.446 2.523 20 0 DFADHO Cc1cc(C[NH+](C)C)cc(NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000655749108 431112208 /nfs/dbraw/zinc/11/22/08/431112208.db2.gz PJMWNIBBHILUIY-IBGZPJMESA-N 1 3 317.477 2.722 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662587492 431125102 /nfs/dbraw/zinc/12/51/02/431125102.db2.gz GBPFTOLQDRYYRU-ROUUACIJSA-N 1 3 321.509 2.522 20 0 DFADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000662410757 431074099 /nfs/dbraw/zinc/07/40/99/431074099.db2.gz NIFSRQMAHKIQIT-MAUKXSAKSA-N 1 3 319.493 2.937 20 0 DFADHO Cc1ccc([C@H](CNC(=O)C[C@@H](C[NH3+])CC(C)C)N(C)C)cc1 ZINC000662418955 431076424 /nfs/dbraw/zinc/07/64/24/431076424.db2.gz YVNMFTVEXXZCNW-WMZOPIPTSA-N 1 3 319.493 2.725 20 0 DFADHO Cc1ccc2nc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000649417798 431095433 /nfs/dbraw/zinc/09/54/33/431095433.db2.gz HFRDUCQBQDCMLA-IRXDYDNUSA-N 1 3 312.461 2.854 20 0 DFADHO Cc1cccc2nc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cn21 ZINC000649418047 431096449 /nfs/dbraw/zinc/09/64/49/431096449.db2.gz XOULZRHSYLVDMQ-IRXDYDNUSA-N 1 3 312.461 2.854 20 0 DFADHO Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCCN1CCCN(C)CC1)CC2 ZINC000655715902 431097338 /nfs/dbraw/zinc/09/73/38/431097338.db2.gz JPOHFJJCDNGJRO-IBGZPJMESA-N 1 3 315.505 2.908 20 0 DFADHO CC[NH2+]Cc1ccccc1NC(=O)N(C)CCN1CCCCC1 ZINC000652610741 431100157 /nfs/dbraw/zinc/10/01/57/431100157.db2.gz KDOQPHXNWIFYBR-UHFFFAOYSA-N 1 3 318.465 2.746 20 0 DFADHO C[C@H]1CC[C@@H](NCc2ccncc2OCCC[NH+](C)C)CS1 ZINC000655767907 431129405 /nfs/dbraw/zinc/12/94/05/431129405.db2.gz MXIGLMSWJSECQM-GOEBONIOSA-N 1 3 323.506 2.786 20 0 DFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000124806977 288103501 /nfs/dbraw/zinc/10/35/01/288103501.db2.gz VAOZAMPYGWQFCR-KNCCTNLNSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000124806977 288103503 /nfs/dbraw/zinc/10/35/03/288103503.db2.gz VAOZAMPYGWQFCR-KNCCTNLNSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000124806977 288103505 /nfs/dbraw/zinc/10/35/05/288103505.db2.gz VAOZAMPYGWQFCR-KNCCTNLNSA-N 1 3 307.457 2.747 20 0 DFADHO C[C@H](C(=O)N(CCC[NH3+])CC1CCCC1)[C@H](N)c1ccccc1 ZINC000357353239 279186929 /nfs/dbraw/zinc/18/69/29/279186929.db2.gz LILQGWQVGGAZPU-YJBOKZPZSA-N 1 3 317.477 2.690 20 0 DFADHO CCCC[N@H+](C)CC1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000659847743 431142616 /nfs/dbraw/zinc/14/26/16/431142616.db2.gz QMQLGFYMFZRSEK-OAHLLOKOSA-N 1 3 304.425 2.855 20 0 DFADHO CCCC[N@@H+](C)CC1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000659847743 431142621 /nfs/dbraw/zinc/14/26/21/431142621.db2.gz QMQLGFYMFZRSEK-OAHLLOKOSA-N 1 3 304.425 2.855 20 0 DFADHO COCC1(C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000655818010 431163979 /nfs/dbraw/zinc/16/39/79/431163979.db2.gz PEZNCLHJVPIJQK-HNNXBMFYSA-N 1 3 306.450 2.704 20 0 DFADHO C[C@@H](C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@H](N)c1ccccc1 ZINC000662693686 431164821 /nfs/dbraw/zinc/16/48/21/431164821.db2.gz LJFKOMIRLJXRNA-JZXOWHBKSA-N 1 3 317.477 2.559 20 0 DFADHO Cc1ccc(NC(=O)c2cccc3c2CC[NH2+]C3)c(CN(C)C)c1 ZINC000662734230 431178174 /nfs/dbraw/zinc/17/81/74/431178174.db2.gz DMMVDZIJSFSUQB-UHFFFAOYSA-N 1 3 323.440 2.955 20 0 DFADHO CC(C)N(C)C[C@H](O)C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000659920439 431187923 /nfs/dbraw/zinc/18/79/23/431187923.db2.gz LLRQBALKFRDLAQ-SFHVURJKSA-N 1 3 322.468 2.781 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@H]3CCCOC3)C2)s1 ZINC000649603485 431190150 /nfs/dbraw/zinc/19/01/50/431190150.db2.gz OWANMJRLQYUEQF-CVEARBPZSA-N 1 3 308.491 2.989 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H]3CCCOC3)C2)s1 ZINC000649603485 431190157 /nfs/dbraw/zinc/19/01/57/431190157.db2.gz OWANMJRLQYUEQF-CVEARBPZSA-N 1 3 308.491 2.989 20 0 DFADHO CCC[C@H](O)CN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603342 431190945 /nfs/dbraw/zinc/19/09/45/431190945.db2.gz HXKNEPQUKVTCOP-CVEARBPZSA-N 1 3 310.507 2.971 20 0 DFADHO CCC[C@H](O)CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603342 431190952 /nfs/dbraw/zinc/19/09/52/431190952.db2.gz HXKNEPQUKVTCOP-CVEARBPZSA-N 1 3 310.507 2.971 20 0 DFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@@H](O)C(C)C)C2)s1 ZINC000649603422 431192244 /nfs/dbraw/zinc/19/22/44/431192244.db2.gz MALNQVFUCZEVBT-DOTOQJQBSA-N 1 3 310.507 2.827 20 0 DFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@@H](O)C(C)C)C2)s1 ZINC000649603422 431192248 /nfs/dbraw/zinc/19/22/48/431192248.db2.gz MALNQVFUCZEVBT-DOTOQJQBSA-N 1 3 310.507 2.827 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[N@H+](C[C@H]2CCCN2C)C1 ZINC000649622794 431201905 /nfs/dbraw/zinc/20/19/05/431201905.db2.gz UWYKVESXIKDOEZ-IEBWSBKVSA-N 1 3 301.478 2.535 20 0 DFADHO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+](C[C@H]2CCCN2C)C1 ZINC000649622794 431201909 /nfs/dbraw/zinc/20/19/09/431201909.db2.gz UWYKVESXIKDOEZ-IEBWSBKVSA-N 1 3 301.478 2.535 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668154 431157366 /nfs/dbraw/zinc/15/73/66/431157366.db2.gz IKJINZRZKPCNFB-WMZOPIPTSA-N 1 3 321.509 2.807 20 0 DFADHO N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662668154 431157373 /nfs/dbraw/zinc/15/73/73/431157373.db2.gz IKJINZRZKPCNFB-WMZOPIPTSA-N 1 3 321.509 2.807 20 0 DFADHO N[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662668547 431157681 /nfs/dbraw/zinc/15/76/81/431157681.db2.gz OOPFMQILKYVBRF-SJLPKXTDSA-N 1 3 315.461 2.600 20 0 DFADHO N[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662668547 431157690 /nfs/dbraw/zinc/15/76/90/431157690.db2.gz OOPFMQILKYVBRF-SJLPKXTDSA-N 1 3 315.461 2.600 20 0 DFADHO CCC[NH+]1CCC(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000666353046 431202177 /nfs/dbraw/zinc/20/21/77/431202177.db2.gz QMDLBORNYOGXTC-RTBURBONSA-N 1 3 301.478 2.896 20 0 DFADHO CCCN1CCC([NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000666353046 431202180 /nfs/dbraw/zinc/20/21/80/431202180.db2.gz QMDLBORNYOGXTC-RTBURBONSA-N 1 3 301.478 2.896 20 0 DFADHO C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000655907678 431211566 /nfs/dbraw/zinc/21/15/66/431211566.db2.gz MDJQYBKNKGKIEG-DLBZAZTESA-N 1 3 316.449 2.544 20 0 DFADHO c1cc2c(cc1CN1CCC[C@@H](OC3CCC3)C1)C[NH2+]CC2 ZINC000655945938 431226194 /nfs/dbraw/zinc/22/61/94/431226194.db2.gz IBHBJUOBOBBUAW-LJQANCHMSA-N 1 3 300.446 2.866 20 0 DFADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)[C@H](C)O1 ZINC000666429288 431227352 /nfs/dbraw/zinc/22/73/52/431227352.db2.gz KWHGEMNLNVWXGI-HLLBOEOZSA-N 1 3 306.450 2.530 20 0 DFADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H]2CCCCC2(C)C)CC1 ZINC000660056948 431248977 /nfs/dbraw/zinc/24/89/77/431248977.db2.gz MFHRNLKCYKRQMV-KRWDZBQOSA-N 1 3 323.525 2.593 20 0 DFADHO CN(Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H](O)C1CC1 ZINC000663076608 431279298 /nfs/dbraw/zinc/27/92/98/431279298.db2.gz IYZWXUBAEJPFSU-LJQANCHMSA-N 1 3 302.462 2.875 20 0 DFADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646375401 431286202 /nfs/dbraw/zinc/28/62/02/431286202.db2.gz FGTAEYHHNOUCRP-KZNAEPCWSA-N 1 3 321.509 2.522 20 0 DFADHO CSc1cccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000660138987 431288426 /nfs/dbraw/zinc/28/84/26/431288426.db2.gz DXKPAJUMIDIHML-UHFFFAOYSA-N 1 3 321.534 2.866 20 0 DFADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000656196920 431304484 /nfs/dbraw/zinc/30/44/84/431304484.db2.gz VWABQPJKOWUPLI-XGWLTEMNSA-N 1 3 301.434 2.956 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)C1 ZINC000656198810 431305490 /nfs/dbraw/zinc/30/54/90/431305490.db2.gz XRRUXYKVFAAWQW-HCXYKTFWSA-N 1 3 320.452 2.759 20 0 DFADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)C1 ZINC000656198810 431305498 /nfs/dbraw/zinc/30/54/98/431305498.db2.gz XRRUXYKVFAAWQW-HCXYKTFWSA-N 1 3 320.452 2.759 20 0 DFADHO C[C@H]1CCN(Cc2ccccc2)CCN1CC[NH2+]C(C)(C)C ZINC000666636646 431309667 /nfs/dbraw/zinc/30/96/67/431309667.db2.gz AURUTGQCOVDLIT-KRWDZBQOSA-N 1 3 303.494 2.971 20 0 DFADHO [NH3+]Cc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000653130841 431275629 /nfs/dbraw/zinc/27/56/29/431275629.db2.gz CXUWQILFZVJEKY-QWHCGFSZSA-N 1 3 316.323 2.831 20 0 DFADHO C[NH+](C)Cc1ccc(NC2CCN([C@H]3CCOC3)CC2)c(F)c1 ZINC000656263532 431343368 /nfs/dbraw/zinc/34/33/68/431343368.db2.gz LLSHIZKKIPMDJR-INIZCTEOSA-N 1 3 321.440 2.553 20 0 DFADHO c1csc(CCN2CCN(c3[nH+]ccc4[nH]ccc43)CC2)c1 ZINC000663417999 431416008 /nfs/dbraw/zinc/41/60/08/431416008.db2.gz MNMUAPQPNASUJA-UHFFFAOYSA-N 1 3 312.442 2.989 20 0 DFADHO Clc1cc(CN[C@H]2CC23CC[NH2+]CC3)cc2c1OCCCO2 ZINC000666950797 431420654 /nfs/dbraw/zinc/42/06/54/431420654.db2.gz ILLBTKCUYTWOFP-HNNXBMFYSA-N 1 3 322.836 2.733 20 0 DFADHO COc1ccc(CN[C@H]2CC23CC[NH2+]CC3)cc1OCC(C)C ZINC000666951031 431420717 /nfs/dbraw/zinc/42/07/17/431420717.db2.gz XKBCJQSSGXSMHE-SFHVURJKSA-N 1 3 318.461 2.962 20 0 DFADHO COc1ccc(-c2ccncc2)cc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666954250 431421970 /nfs/dbraw/zinc/42/19/70/431421970.db2.gz SSHBSDQQLYBCAO-IBGZPJMESA-N 1 3 323.440 2.989 20 0 DFADHO Fc1cc(CN[C@H]2CC23CC[NH2+]CC3)ccc1OC(F)F ZINC000666952412 431422146 /nfs/dbraw/zinc/42/21/46/431422146.db2.gz VMBJUJILBLKILF-ZDUSSCGKSA-N 1 3 300.324 2.659 20 0 DFADHO CN(C(=O)CCN[C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC000663360573 431384257 /nfs/dbraw/zinc/38/42/57/431384257.db2.gz XMICFNWTGQQFBE-QGZVFWFLSA-N 1 3 319.493 2.996 20 0 DFADHO Cc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000666858088 431386107 /nfs/dbraw/zinc/38/61/07/431386107.db2.gz WIUXPWFRUKZVDW-HZPDHXFCSA-N 1 3 303.450 2.752 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3c(n2)CCC3)C[C@H](C)O1 ZINC000656493480 431409610 /nfs/dbraw/zinc/40/96/10/431409610.db2.gz CEYGMTDBFLVVOS-IYBDPMFKSA-N 1 3 317.477 2.549 20 0 DFADHO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCNC3(CCC3)C1)CC2 ZINC000666995332 431437368 /nfs/dbraw/zinc/43/73/68/431437368.db2.gz KHVIHVIVRVXKEP-IAGOWNOFSA-N 1 3 300.446 2.817 20 0 DFADHO COc1ccc2c(c1)C[C@H](N[C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000666995332 431437369 /nfs/dbraw/zinc/43/73/69/431437369.db2.gz KHVIHVIVRVXKEP-IAGOWNOFSA-N 1 3 300.446 2.817 20 0 DFADHO CCN1CC[C@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@@H](C)C1 ZINC000663474686 431438197 /nfs/dbraw/zinc/43/81/97/431438197.db2.gz PGYNGEGSSVQHRY-FZMZJTMJSA-N 1 3 301.356 2.920 20 0 DFADHO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCNC3(CCC3)C1)CC2 ZINC000666995331 431438598 /nfs/dbraw/zinc/43/85/98/431438598.db2.gz KHVIHVIVRVXKEP-DLBZAZTESA-N 1 3 300.446 2.817 20 0 DFADHO COc1ccc2c(c1)C[C@@H](N[C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000666995331 431438602 /nfs/dbraw/zinc/43/86/02/431438602.db2.gz KHVIHVIVRVXKEP-DLBZAZTESA-N 1 3 300.446 2.817 20 0 DFADHO CCc1ccccc1NC(=O)C[C@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000663502729 431449413 /nfs/dbraw/zinc/44/94/13/431449413.db2.gz LHWAPVGPHUGYHD-GOEBONIOSA-N 1 3 305.466 2.929 20 0 DFADHO CC1(C)C[C@H](N2CCN(c3cc[nH+]c4ccccc43)CC2)CO1 ZINC000660530770 431476732 /nfs/dbraw/zinc/47/67/32/431476732.db2.gz JZDKDUMTURNWLJ-HNNXBMFYSA-N 1 3 311.429 2.924 20 0 DFADHO CC1(C)C[C@H]([NH+]2CCN(c3ccnc4ccccc43)CC2)CO1 ZINC000660530770 431476736 /nfs/dbraw/zinc/47/67/36/431476736.db2.gz JZDKDUMTURNWLJ-HNNXBMFYSA-N 1 3 311.429 2.924 20 0 DFADHO COc1cccc(C[C@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)n1 ZINC000663468771 431435411 /nfs/dbraw/zinc/43/54/11/431435411.db2.gz MRWNXFAIERBOCK-DOTOQJQBSA-N 1 3 317.477 2.733 20 0 DFADHO COc1cccc(C[C@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663468771 431435416 /nfs/dbraw/zinc/43/54/16/431435416.db2.gz MRWNXFAIERBOCK-DOTOQJQBSA-N 1 3 317.477 2.733 20 0 DFADHO COc1cccc(C[C@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663468771 431435424 /nfs/dbraw/zinc/43/54/24/431435424.db2.gz MRWNXFAIERBOCK-DOTOQJQBSA-N 1 3 317.477 2.733 20 0 DFADHO COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468547 431436039 /nfs/dbraw/zinc/43/60/39/431436039.db2.gz MATGOLHQVBCHJI-WOJBJXKFSA-N 1 3 316.489 2.956 20 0 DFADHO CCO[C@@H]1CN(c2c3ccccc3nc(C)c2CC)C[C@H]1C[NH3+] ZINC000650303070 431519737 /nfs/dbraw/zinc/51/97/37/431519737.db2.gz MLDIHKYXHWXAOZ-RDTXWAMCSA-N 1 3 313.445 2.906 20 0 DFADHO CC(=O)Nc1ccccc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787088 431523778 /nfs/dbraw/zinc/52/37/78/431523778.db2.gz SWUYXIJOKBQWMF-KRWDZBQOSA-N 1 3 315.461 2.857 20 0 DFADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCC[C@H]2CCOC2)cc1 ZINC000656790075 431526236 /nfs/dbraw/zinc/52/62/36/431526236.db2.gz IQTODIZOKWWXGM-SNRMKQJTSA-N 1 3 318.461 2.547 20 0 DFADHO CC(C)n1nccc1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647249292 431529924 /nfs/dbraw/zinc/52/99/24/431529924.db2.gz PUBQWJIUXRPRJE-MJGOQNOKSA-N 1 3 312.461 2.899 20 0 DFADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000647343971 431558731 /nfs/dbraw/zinc/55/87/31/431558731.db2.gz GTFJNXSCJSSPBN-RSPOEFSDSA-N 1 3 315.505 2.652 20 0 DFADHO CN(CCN1CCC[C@@]2(CC[N@H+](C)C2)C1)Cc1ccccc1 ZINC000660664179 431539006 /nfs/dbraw/zinc/53/90/06/431539006.db2.gz QLPYQPXIDKHIHI-IBGZPJMESA-N 1 3 301.478 2.536 20 0 DFADHO CN(CCN1CCC[C@@]2(CC[N@@H+](C)C2)C1)Cc1ccccc1 ZINC000660664179 431539014 /nfs/dbraw/zinc/53/90/14/431539014.db2.gz QLPYQPXIDKHIHI-IBGZPJMESA-N 1 3 301.478 2.536 20 0 DFADHO COc1cncc(/C=C\CCN2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660662415 431539713 /nfs/dbraw/zinc/53/97/13/431539713.db2.gz KAIKANAVIDGEKM-WSGSOLELSA-N 1 3 315.461 2.911 20 0 DFADHO COc1cncc(/C=C\CCN2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660662415 431539715 /nfs/dbraw/zinc/53/97/15/431539715.db2.gz KAIKANAVIDGEKM-WSGSOLELSA-N 1 3 315.461 2.911 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(C)C3(CCCCC3)C2)C1 ZINC000660673390 431545471 /nfs/dbraw/zinc/54/54/71/431545471.db2.gz SJVOTROXZXKESR-HDICACEKSA-N 1 3 307.526 2.915 20 0 DFADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCN(C)C3(CCCCC3)C2)C1 ZINC000660673390 431545474 /nfs/dbraw/zinc/54/54/74/431545474.db2.gz SJVOTROXZXKESR-HDICACEKSA-N 1 3 307.526 2.915 20 0 DFADHO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CC1 ZINC000104966847 280115608 /nfs/dbraw/zinc/11/56/08/280115608.db2.gz VGWBHPJHWUPICO-HUUCEWRRSA-N 1 3 321.509 2.628 20 0 DFADHO CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CC1 ZINC000104966847 280115612 /nfs/dbraw/zinc/11/56/12/280115612.db2.gz VGWBHPJHWUPICO-HUUCEWRRSA-N 1 3 321.509 2.628 20 0 DFADHO CC[C@@H](CO)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000249183569 280150694 /nfs/dbraw/zinc/15/06/94/280150694.db2.gz JKESBSOVORLJMF-INDMIFKZSA-N 1 3 302.462 2.648 20 0 DFADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000366821290 280329547 /nfs/dbraw/zinc/32/95/47/280329547.db2.gz IBSPYXAPSAEVRR-FAJBIJEISA-N 1 3 307.526 2.959 20 0 DFADHO CC(C)(C[NH2+]Cc1ccnn1-c1ccncc1)N1CCCCC1 ZINC000657289831 431652949 /nfs/dbraw/zinc/65/29/49/431652949.db2.gz JHFFHZUQQMKEKZ-UHFFFAOYSA-N 1 3 313.449 2.621 20 0 DFADHO CC(C)(CNCc1ccnn1-c1ccncc1)[NH+]1CCCCC1 ZINC000657289831 431652956 /nfs/dbraw/zinc/65/29/56/431652956.db2.gz JHFFHZUQQMKEKZ-UHFFFAOYSA-N 1 3 313.449 2.621 20 0 DFADHO COc1cccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1F ZINC000650707848 431653172 /nfs/dbraw/zinc/65/31/72/431653172.db2.gz ODOJOJIOAXBQSN-QRTARXTBSA-N 1 3 322.424 2.553 20 0 DFADHO Cc1ccc(F)c(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650706670 431653297 /nfs/dbraw/zinc/65/32/97/431653297.db2.gz PYLWVXGCRBWWFC-ZVZYQTTQSA-N 1 3 306.425 2.852 20 0 DFADHO CC1(C)Cc2cc(CN3C[C@@H]4CCC[C@]4(C[NH3+])C3)ccc2O1 ZINC000650709634 431655976 /nfs/dbraw/zinc/65/59/76/431655976.db2.gz JGFDEQCGJAUVGU-LPHOPBHVSA-N 1 3 300.446 2.961 20 0 DFADHO CC1(C)Cc2cc(C[N@@H+]3C[C@@H]4CCC[C@]4(CN)C3)ccc2O1 ZINC000650709634 431655981 /nfs/dbraw/zinc/65/59/81/431655981.db2.gz JGFDEQCGJAUVGU-LPHOPBHVSA-N 1 3 300.446 2.961 20 0 DFADHO CC1(C)Cc2cc(C[N@H+]3C[C@@H]4CCC[C@]4(CN)C3)ccc2O1 ZINC000650709634 431655982 /nfs/dbraw/zinc/65/59/82/431655982.db2.gz JGFDEQCGJAUVGU-LPHOPBHVSA-N 1 3 300.446 2.961 20 0 DFADHO C[NH2+]CC1CCN(Cc2c[nH]nc2-c2cccc(OC)c2)CC1 ZINC000647494422 431607678 /nfs/dbraw/zinc/60/76/78/431607678.db2.gz BBUFKZISSBXTIC-UHFFFAOYSA-N 1 3 314.433 2.517 20 0 DFADHO Nc1ccc(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000647532612 431617534 /nfs/dbraw/zinc/61/75/34/431617534.db2.gz UCZVXDHKRMUURE-RTBURBONSA-N 1 3 324.472 2.666 20 0 DFADHO [NH3+]Cc1ccc(CNC[C@H]2CCOc3ccccc32)c(F)c1 ZINC000650717780 431660832 /nfs/dbraw/zinc/66/08/32/431660832.db2.gz MBCVXQKEPGUMBV-CQSZACIVSA-N 1 3 300.377 2.940 20 0 DFADHO CC(C)(C)n1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542764 431622689 /nfs/dbraw/zinc/62/26/89/431622689.db2.gz BNWGGKISVOBOTC-SJORKVTESA-N 1 3 304.482 2.850 20 0 DFADHO COc1cc(C)nc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542865 431624148 /nfs/dbraw/zinc/62/41/48/431624148.db2.gz DCDPQQBORFXGNT-CVEARBPZSA-N 1 3 303.450 2.610 20 0 DFADHO CCOc1cccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647543960 431624607 /nfs/dbraw/zinc/62/46/07/431624607.db2.gz UVRMOJLXIYCFTA-JKSUJKDBSA-N 1 3 303.450 2.692 20 0 DFADHO c1coc(-c2nc(CN[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cs2)c1 ZINC000647549912 431627463 /nfs/dbraw/zinc/62/74/63/431627463.db2.gz XLTXMHMXSMBQBX-RWMBFGLXSA-N 1 3 303.431 2.881 20 0 DFADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1C[C@@H]2C[C@H]1CS2 ZINC000657260457 431641965 /nfs/dbraw/zinc/64/19/65/431641965.db2.gz VDNIXRLZPNMDIT-WMZOPIPTSA-N 1 3 318.486 2.851 20 0 DFADHO CCOc1cccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650721747 431665118 /nfs/dbraw/zinc/66/51/18/431665118.db2.gz ABZRWEFCYWIBFG-BHIYHBOVSA-N 1 3 318.461 2.946 20 0 DFADHO COc1ccsc1CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723320 431665942 /nfs/dbraw/zinc/66/59/42/431665942.db2.gz LHDPWSLECZTEEZ-NFAWXSAZSA-N 1 3 310.463 2.618 20 0 DFADHO COc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1C ZINC000650721857 431666350 /nfs/dbraw/zinc/66/63/50/431666350.db2.gz DGYDTMVZIXGVIE-YQVWRLOYSA-N 1 3 318.461 2.864 20 0 DFADHO Cc1cccc2[nH]c(C[NH2+]CCCCN3CCN(C)CC3)cc21 ZINC000657308284 431667492 /nfs/dbraw/zinc/66/74/92/431667492.db2.gz PUICHUSVLMDAPC-UHFFFAOYSA-N 1 3 314.477 2.594 20 0 DFADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccnn2CC2CC2)C1 ZINC000657311862 431669891 /nfs/dbraw/zinc/66/98/91/431669891.db2.gz XRVGSLBSWYIEBE-MRXNPFEDSA-N 1 3 304.482 2.895 20 0 DFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccnn2CC2CC2)C1 ZINC000657311862 431669898 /nfs/dbraw/zinc/66/98/98/431669898.db2.gz XRVGSLBSWYIEBE-MRXNPFEDSA-N 1 3 304.482 2.895 20 0 DFADHO CCCOc1ccc(C[NH2+]C[C@@H](O)CN2CCCCC2)c(C)c1 ZINC000657325810 431676424 /nfs/dbraw/zinc/67/64/24/431676424.db2.gz LJIPYEIKTUHUEE-GOSISDBHSA-N 1 3 320.477 2.720 20 0 DFADHO c1c(CNCC2CC[NH+](Cc3ccccc3)CC2)nn2c1CCC2 ZINC000657329304 431680622 /nfs/dbraw/zinc/68/06/22/431680622.db2.gz NWAPMLBZTBCNNN-UHFFFAOYSA-N 1 3 324.472 2.831 20 0 DFADHO CCOc1ccc(CNC2CC[NH+](CCOC)CC2)c(C)c1 ZINC000657331099 431680747 /nfs/dbraw/zinc/68/07/47/431680747.db2.gz NWUCVNMHFYMAIZ-UHFFFAOYSA-N 1 3 306.450 2.594 20 0 DFADHO c1csc(-c2nc(CN[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)co2)c1 ZINC000647784301 431685289 /nfs/dbraw/zinc/68/52/89/431685289.db2.gz PYOMEVIVRCKCKK-YNEHKIRRSA-N 1 3 303.431 2.881 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)Nc1cc[nH+]c2c([O-])cccc12 ZINC000664196209 431693165 /nfs/dbraw/zinc/69/31/65/431693165.db2.gz QONSZBZUWZQWNM-AWEZNQCLSA-N 1 3 316.449 2.624 20 0 DFADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cc[nH+]c2c([O-])cccc12 ZINC000664196209 431693168 /nfs/dbraw/zinc/69/31/68/431693168.db2.gz QONSZBZUWZQWNM-AWEZNQCLSA-N 1 3 316.449 2.624 20 0 DFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cc[nH+]c2c([O-])cccc12 ZINC000664196209 431693174 /nfs/dbraw/zinc/69/31/74/431693174.db2.gz QONSZBZUWZQWNM-AWEZNQCLSA-N 1 3 316.449 2.624 20 0 DFADHO Cc1cccc2nc(CC[NH2+][C@H](C)c3ccc(CN)nc3C)cn21 ZINC000647803742 431695023 /nfs/dbraw/zinc/69/50/23/431695023.db2.gz AHWYVUAGYOITPW-CQSZACIVSA-N 1 3 323.444 2.698 20 0 DFADHO CC[C@@H]([NH2+]CCc1cn2c(cccc2C)n1)[C@@H]1CCCCN1 ZINC000647804242 431695074 /nfs/dbraw/zinc/69/50/74/431695074.db2.gz MGJDLXGAZNOKFC-SJORKVTESA-N 1 3 300.450 2.696 20 0 DFADHO COc1ccsc1CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723321 431663994 /nfs/dbraw/zinc/66/39/94/431663994.db2.gz LHDPWSLECZTEEZ-UMVBOHGHSA-N 1 3 310.463 2.618 20 0 DFADHO CC[NH+](CC)CCOCCNCc1cc2ccncc2s1 ZINC000657433534 431751897 /nfs/dbraw/zinc/75/18/97/431751897.db2.gz UIASNQXJFADVEF-UHFFFAOYSA-N 1 3 307.463 2.744 20 0 DFADHO Cc1ncsc1-c1ccc(CNCCOCC[NH+](C)C)cc1 ZINC000657437225 431752390 /nfs/dbraw/zinc/75/23/90/431752390.db2.gz HVNKPPWFGQPOSO-UHFFFAOYSA-N 1 3 319.474 2.786 20 0 DFADHO Fc1ccccc1OCCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975881 431761669 /nfs/dbraw/zinc/76/16/69/431761669.db2.gz HDVWKRKPZAADAZ-HZPDHXFCSA-N 1 3 306.425 2.916 20 0 DFADHO CN(C)CCC[N@H+](C)CCNc1ccc2ccc(F)cc2n1 ZINC000664248263 431715983 /nfs/dbraw/zinc/71/59/83/431715983.db2.gz RQTJKYMUSDQTBU-UHFFFAOYSA-N 1 3 304.413 2.669 20 0 DFADHO CN(C)CCC[N@@H+](C)CCNc1ccc2ccc(F)cc2n1 ZINC000664248263 431715994 /nfs/dbraw/zinc/71/59/94/431715994.db2.gz RQTJKYMUSDQTBU-UHFFFAOYSA-N 1 3 304.413 2.669 20 0 DFADHO COc1ccc(CCN(CC(C)C)C[C@H]2CC[NH2+]C2)cc1OC ZINC000647885907 431718851 /nfs/dbraw/zinc/71/88/51/431718851.db2.gz JUUYDFGREIWIOJ-KRWDZBQOSA-N 1 3 320.477 2.814 20 0 DFADHO CN1C[C@@H](C[NH2+]Cc2ccnn2CC2CC2)[C@H](c2ccccc2)C1 ZINC000657499897 431789225 /nfs/dbraw/zinc/78/92/25/431789225.db2.gz IVCYDWXUXUIWCR-QUCCMNQESA-N 1 3 324.472 2.728 20 0 DFADHO COc1ccc([C@@H](C)CN2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000648072011 431807895 /nfs/dbraw/zinc/80/78/95/431807895.db2.gz GTUCVHXPFGTSCM-INIZCTEOSA-N 1 3 318.461 2.595 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(F)c(Cl)c1 ZINC000657573191 431815240 /nfs/dbraw/zinc/81/52/40/431815240.db2.gz MCLNWKGCLTVJBO-ZDUSSCGKSA-N 1 3 315.864 2.841 20 0 DFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000657573679 431816093 /nfs/dbraw/zinc/81/60/93/431816093.db2.gz OMAYQHDSEDUCGJ-VYDXJSESSA-N 1 3 307.482 2.765 20 0 DFADHO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CO1 ZINC000657460521 431766404 /nfs/dbraw/zinc/76/64/04/431766404.db2.gz ZRDYZJGKYBSVOC-DLBZAZTESA-N 1 3 318.461 2.817 20 0 DFADHO Fc1cccc(CN2CCN(CCCC3CC[NH2+]CC3)CC2)c1 ZINC000647988515 431767107 /nfs/dbraw/zinc/76/71/07/431767107.db2.gz VJWOSBVJEGXGIL-UHFFFAOYSA-N 1 3 319.468 2.723 20 0 DFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+]CC3CCCCC3)cc2)C1 ZINC000657596749 431820547 /nfs/dbraw/zinc/82/05/47/431820547.db2.gz YPAYUPCJKUDCKX-LJQANCHMSA-N 1 3 302.462 2.923 20 0 DFADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cccc(F)c3)cc2)C1 ZINC000657594209 431822134 /nfs/dbraw/zinc/82/21/34/431822134.db2.gz GLNWPMMGKGJAPQ-IBGZPJMESA-N 1 3 314.404 2.682 20 0 DFADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cccc(F)c3)cc2)C1 ZINC000657594209 431822139 /nfs/dbraw/zinc/82/21/39/431822139.db2.gz GLNWPMMGKGJAPQ-IBGZPJMESA-N 1 3 314.404 2.682 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CCC(C)(C)[NH3+] ZINC000648152348 431826705 /nfs/dbraw/zinc/82/67/05/431826705.db2.gz QMNSJQQZIIMPDA-UHFFFAOYSA-N 1 3 305.466 2.614 20 0 DFADHO CC(C)N1CCN(CCC[NH+]2CCC(C3CCC3)CC2)CC1 ZINC000661374885 431837067 /nfs/dbraw/zinc/83/70/67/431837067.db2.gz QALTVRMGZMJGRN-UHFFFAOYSA-N 1 3 307.526 2.915 20 0 DFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000273188580 282011268 /nfs/dbraw/zinc/01/12/68/282011268.db2.gz INDBZORFGUOPLM-HOCLYGCPSA-N 1 3 305.466 2.572 20 0 DFADHO CN(C)CCN(C)CCC[N@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000361395520 289132092 /nfs/dbraw/zinc/13/20/92/289132092.db2.gz OTMFVEOYVHWXSD-RBUKOAKNSA-N 1 3 303.494 2.605 20 0 DFADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000361395520 289132093 /nfs/dbraw/zinc/13/20/93/289132093.db2.gz OTMFVEOYVHWXSD-RBUKOAKNSA-N 1 3 303.494 2.605 20 0 DFADHO C[C@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)N1CCCCCC1 ZINC000374100308 289264795 /nfs/dbraw/zinc/26/47/95/289264795.db2.gz DILMNIPNHNXOBT-QGZVFWFLSA-N 1 3 321.509 2.585 20 0 DFADHO C[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000247363967 289269714 /nfs/dbraw/zinc/26/97/14/289269714.db2.gz MTQUGIPSIXHTBX-IXDOHACOSA-N 1 3 321.509 2.725 20 0 DFADHO C[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000247363967 289269717 /nfs/dbraw/zinc/26/97/17/289269717.db2.gz MTQUGIPSIXHTBX-IXDOHACOSA-N 1 3 321.509 2.725 20 0 DFADHO C[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)N1CCCCCC1 ZINC000266524600 289380678 /nfs/dbraw/zinc/38/06/78/289380678.db2.gz DEPMECDEGVKLPP-OAHLLOKOSA-N 1 3 303.450 2.951 20 0 DFADHO CN1CCC(O)(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000268992483 289888757 /nfs/dbraw/zinc/88/87/57/289888757.db2.gz MTMWOJBHNFWOAT-OAHLLOKOSA-N 1 3 324.852 2.600 20 0 DFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)C1(c2ccccc2)CCCC1 ZINC000289361063 289946389 /nfs/dbraw/zinc/94/63/89/289946389.db2.gz ZGKRTXCCGYVPEC-KRWDZBQOSA-N 1 3 316.489 2.933 20 0 DFADHO C[C@H]1CCCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000354846899 290371571 /nfs/dbraw/zinc/37/15/71/290371571.db2.gz DOTZSINIVZNSEG-FUHWJXTLSA-N 1 3 317.477 2.670 20 0 DFADHO C[C@H]1CCCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000354846899 290371574 /nfs/dbraw/zinc/37/15/74/290371574.db2.gz DOTZSINIVZNSEG-FUHWJXTLSA-N 1 3 317.477 2.670 20 0 DFADHO COc1ccc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000436272617 296995548 /nfs/dbraw/zinc/99/55/48/296995548.db2.gz HLGUSYPDRGYWCK-HZPDHXFCSA-N 1 3 305.466 2.938 20 0 DFADHO O[C@H]1CCCC[C@H]1CCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000436470067 297004496 /nfs/dbraw/zinc/00/44/96/297004496.db2.gz HYJMFHWPEGMESZ-LPHOPBHVSA-N 1 3 317.477 2.971 20 0 DFADHO Cc1ccc2nccc(N3CCC([N@@H+](C)C[C@H](C)O)CC3)c2c1 ZINC000436433077 297003229 /nfs/dbraw/zinc/00/32/29/297003229.db2.gz MHQBPHZCQKNARU-HNNXBMFYSA-N 1 3 313.445 2.825 20 0 DFADHO Cc1ccc2nccc(N3CCC([N@H+](C)C[C@H](C)O)CC3)c2c1 ZINC000436433077 297003230 /nfs/dbraw/zinc/00/32/30/297003230.db2.gz MHQBPHZCQKNARU-HNNXBMFYSA-N 1 3 313.445 2.825 20 0 DFADHO c1nc2ccccc2n1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000436470756 297004562 /nfs/dbraw/zinc/00/45/62/297004562.db2.gz OMACXGUJUYTNTE-UHFFFAOYSA-N 1 3 321.428 2.690 20 0 DFADHO C[C@H]([NH2+]CC1(N(C)C)CCC1)c1cccc(OCCN(C)C)c1 ZINC000437074372 297053762 /nfs/dbraw/zinc/05/37/62/297053762.db2.gz IREGACGGCCFTQJ-INIZCTEOSA-N 1 3 319.493 2.762 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437870761 297072937 /nfs/dbraw/zinc/07/29/37/297072937.db2.gz SSLAZBQQFCQNKG-JFIYKMOQSA-N 1 3 321.509 2.773 20 0 DFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437870761 297072939 /nfs/dbraw/zinc/07/29/39/297072939.db2.gz SSLAZBQQFCQNKG-JFIYKMOQSA-N 1 3 321.509 2.773 20 0 DFADHO CN1CCN(CCCC[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000154361900 295298674 /nfs/dbraw/zinc/29/86/74/295298674.db2.gz TXUMFRWPXXLURQ-QGZVFWFLSA-N 1 3 319.518 2.841 20 0 DFADHO CCCC[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000154544644 295302296 /nfs/dbraw/zinc/30/22/96/295302296.db2.gz SVEGUUIQGZJRGT-QGZVFWFLSA-N 1 3 303.450 2.781 20 0 DFADHO CC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000158147460 295359073 /nfs/dbraw/zinc/35/90/73/295359073.db2.gz QYFGGBXMYSCVGU-ZBFHGGJFSA-N 1 3 304.434 2.840 20 0 DFADHO CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000158147460 295359074 /nfs/dbraw/zinc/35/90/74/295359074.db2.gz QYFGGBXMYSCVGU-ZBFHGGJFSA-N 1 3 304.434 2.840 20 0 DFADHO C[C@H](C(=O)N(CCN(C)C)C1CCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000412198396 295599832 /nfs/dbraw/zinc/59/98/32/295599832.db2.gz WRWVOMBUJYKTKI-BZUAXINKSA-N 1 3 309.498 2.581 20 0 DFADHO c1csc(CN2CCC(C[NH2+]CC[C@H]3CCOC3)CC2)c1 ZINC000438206439 297084691 /nfs/dbraw/zinc/08/46/91/297084691.db2.gz JFZRPFWDYXQVFT-INIZCTEOSA-N 1 3 308.491 2.976 20 0 DFADHO CC(C)[NH+](CCNC(=O)[C@@H]1CCCN1C1CCCC1)C(C)C ZINC000438568022 297099318 /nfs/dbraw/zinc/09/93/18/297099318.db2.gz OGGNVHSAFWFJSD-KRWDZBQOSA-N 1 3 309.498 2.628 20 0 DFADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000439829243 297139395 /nfs/dbraw/zinc/13/93/95/297139395.db2.gz GAEBQTDSYVQTDI-YJBOKZPZSA-N 1 3 319.493 2.527 20 0 DFADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000439829243 297139398 /nfs/dbraw/zinc/13/93/98/297139398.db2.gz GAEBQTDSYVQTDI-YJBOKZPZSA-N 1 3 319.493 2.527 20 0 DFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439831015 297139734 /nfs/dbraw/zinc/13/97/34/297139734.db2.gz BKTRQRJBHQVFQI-SOLBZPMBSA-N 1 3 321.509 2.773 20 0 DFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439831015 297139736 /nfs/dbraw/zinc/13/97/36/297139736.db2.gz BKTRQRJBHQVFQI-SOLBZPMBSA-N 1 3 321.509 2.773 20 0 DFADHO CC(C)CCn1cccc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441347166 297180582 /nfs/dbraw/zinc/18/05/82/297180582.db2.gz LFQKZOVYKTYQPV-UHFFFAOYSA-N 1 3 320.525 2.650 20 0 DFADHO CCOc1c(CN2CCC[C@@H](CC[NH3+])C2)c(C)nn1CC(C)C ZINC000442917063 297211224 /nfs/dbraw/zinc/21/12/24/297211224.db2.gz BVHHKRJOCIODHS-INIZCTEOSA-N 1 3 322.497 2.807 20 0 DFADHO Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000443057051 297213968 /nfs/dbraw/zinc/21/39/68/297213968.db2.gz FDXRERKLRGHBGF-JKSUJKDBSA-N 1 3 303.450 2.691 20 0 DFADHO CCC[C@@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443060875 297214304 /nfs/dbraw/zinc/21/43/04/297214304.db2.gz PXYMRJRIKGUTJA-SJLPKXTDSA-N 1 3 317.477 2.705 20 0 DFADHO Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000443061951 297214481 /nfs/dbraw/zinc/21/44/81/297214481.db2.gz SOWLMBTWVLSRKO-CVEARBPZSA-N 1 3 303.450 2.691 20 0 DFADHO C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443066084 297214679 /nfs/dbraw/zinc/21/46/79/297214679.db2.gz DIXKBSLIFNHMIG-KBPBESRZSA-N 1 3 300.406 2.858 20 0 DFADHO [NH3+]CC[C@@H]1CCCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000443075154 297215229 /nfs/dbraw/zinc/21/52/29/297215229.db2.gz QYPCDGYSZJWZHV-XJKSGUPXSA-N 1 3 321.852 2.506 20 0 DFADHO COC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCCC1 ZINC000446819715 297287419 /nfs/dbraw/zinc/28/74/19/297287419.db2.gz VDFBCZVRXLDULY-NUJGCVRESA-N 1 3 312.498 2.671 20 0 DFADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCOCCN(C)C ZINC000447602041 297310321 /nfs/dbraw/zinc/31/03/21/297310321.db2.gz SETIHMKKECBCPV-LBPRGKRZSA-N 1 3 304.887 2.890 20 0 DFADHO CSC1(CNCc2ccnn2C2CCCC2)CC[NH+](C)CC1 ZINC000449338363 297449057 /nfs/dbraw/zinc/44/90/57/297449057.db2.gz RQFIUHGCZZYLEC-UHFFFAOYSA-N 1 3 322.522 2.915 20 0 DFADHO COC1([C@@H](C)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000453055102 298057425 /nfs/dbraw/zinc/05/74/25/298057425.db2.gz DCPQYKFYNSPWCH-IXDOHACOSA-N 1 3 312.498 2.528 20 0 DFADHO COC1([C@@H](C)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000453055102 298057426 /nfs/dbraw/zinc/05/74/26/298057426.db2.gz DCPQYKFYNSPWCH-IXDOHACOSA-N 1 3 312.498 2.528 20 0 DFADHO COC1([C@@H](C)[NH2+]CCCN2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000453055102 298057428 /nfs/dbraw/zinc/05/74/28/298057428.db2.gz DCPQYKFYNSPWCH-IXDOHACOSA-N 1 3 312.498 2.528 20 0 DFADHO CN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453053756 298057705 /nfs/dbraw/zinc/05/77/05/298057705.db2.gz GRAQDHYUEMCKSR-AQNXPRMDSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@H]([NH2+][C@H]1COCC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000453358122 298086372 /nfs/dbraw/zinc/08/63/72/298086372.db2.gz JUSYSXCDNDFUGH-YOEHRIQHSA-N 1 3 306.450 2.703 20 0 DFADHO CC[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)[C@@H](O)CC ZINC000453378395 298088339 /nfs/dbraw/zinc/08/83/39/298088339.db2.gz QMKIODYDOPVAGJ-QGTPRVQTSA-N 1 3 308.466 2.827 20 0 DFADHO CC[N@@H+]1CC[C@H](N[C@H](CO)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000453411334 298091504 /nfs/dbraw/zinc/09/15/04/298091504.db2.gz AKEGPDLRVWXVPZ-NEWSRXKRSA-N 1 3 304.478 2.527 20 0 DFADHO CC[N@H+]1CC[C@H](N[C@H](CO)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000453411334 298091506 /nfs/dbraw/zinc/09/15/06/298091506.db2.gz AKEGPDLRVWXVPZ-NEWSRXKRSA-N 1 3 304.478 2.527 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1C ZINC000453469199 298097961 /nfs/dbraw/zinc/09/79/61/298097961.db2.gz ZXSZLKQVMMIHAN-RNIPGJKVSA-N 1 3 304.478 2.525 20 0 DFADHO Cc1ccc(C[C@H](CO)N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1C ZINC000453469199 298097964 /nfs/dbraw/zinc/09/79/64/298097964.db2.gz ZXSZLKQVMMIHAN-RNIPGJKVSA-N 1 3 304.478 2.525 20 0 DFADHO CC(C)(C)OC(=O)NC1CC(NC2CC[NH+](CC3CC3)CC2)C1 ZINC000496607605 300087222 /nfs/dbraw/zinc/08/72/22/300087222.db2.gz WCEJNOQJVARVKZ-UHFFFAOYSA-N 1 3 323.481 2.506 20 0 DFADHO COC(=O)N1CCC([C@H](C)N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000496745284 300107427 /nfs/dbraw/zinc/10/74/27/300107427.db2.gz KXJQNIFJBXKZMN-ZLIFDBKOSA-N 1 3 317.433 2.588 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H]3C[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000503269226 300219794 /nfs/dbraw/zinc/21/97/94/300219794.db2.gz YJPXWFOTYNNHKC-LPHOPBHVSA-N 1 3 316.493 2.579 20 0 DFADHO CC(C)N1CCN(c2cccc(N[C@H]3C[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000503269226 300219798 /nfs/dbraw/zinc/21/97/98/300219798.db2.gz YJPXWFOTYNNHKC-LPHOPBHVSA-N 1 3 316.493 2.579 20 0 DFADHO CCN(CC)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000515413249 300305423 /nfs/dbraw/zinc/30/54/23/300305423.db2.gz QOAXOKUHKCRNSP-HOJAQTOUSA-N 1 3 317.521 2.917 20 0 DFADHO CCc1[nH+]c2ccccc2c(NCCN2CCCOCC2)c1C ZINC000516204594 300335192 /nfs/dbraw/zinc/33/51/92/300335192.db2.gz SPOKFQXUSXKHTJ-UHFFFAOYSA-N 1 3 313.445 2.662 20 0 DFADHO C[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])c1nc(-c2ccccc2)no1 ZINC000516450505 300342715 /nfs/dbraw/zinc/34/27/15/300342715.db2.gz XOOTWIKPMADSRQ-BPLDGKMQSA-N 1 3 300.406 2.557 20 0 DFADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)c1nc(-c2ccccc2)no1 ZINC000516450505 300342716 /nfs/dbraw/zinc/34/27/16/300342716.db2.gz XOOTWIKPMADSRQ-BPLDGKMQSA-N 1 3 300.406 2.557 20 0 DFADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)C1 ZINC000521899483 300541054 /nfs/dbraw/zinc/54/10/54/300541054.db2.gz YDPXTVKHGOKSST-AGIUHOORSA-N 1 3 311.832 2.917 20 0 DFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCN1C1CCCC1)[NH+]1CCCCC1 ZINC000530023205 301005277 /nfs/dbraw/zinc/00/52/77/301005277.db2.gz CSZZAZBQRKNRPZ-ZWKOTPCHSA-N 1 3 321.509 2.630 20 0 DFADHO CCc1noc(C2CCC([NH2+][C@@H]3CCNC34CCC4)CC2)n1 ZINC000530178821 301026126 /nfs/dbraw/zinc/02/61/26/301026126.db2.gz OGXWVCNRUMBXJL-JXQTWKCFSA-N 1 3 304.438 2.532 20 0 DFADHO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCNC12CCC2 ZINC000530178655 301026351 /nfs/dbraw/zinc/02/63/51/301026351.db2.gz PKNPHRQYZMPUIV-SUMWQHHRSA-N 1 3 302.418 2.611 20 0 DFADHO C[C@@H]1[C@H](N[C@@H]2CC[NH2+]C23CCC3)CCCN1Cc1ccccc1 ZINC000530216014 301029805 /nfs/dbraw/zinc/02/98/05/301029805.db2.gz LSFJFBSFSYNOBF-BHIYHBOVSA-N 1 3 313.489 2.914 20 0 DFADHO FC(F)(F)c1ncccc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000530219690 301031099 /nfs/dbraw/zinc/03/10/99/301031099.db2.gz HXFIKFUHGUZQFZ-OLZOCXBDSA-N 1 3 313.367 2.922 20 0 DFADHO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cccc(OCCN(C)C)c1 ZINC000530219673 301031241 /nfs/dbraw/zinc/03/12/41/301031241.db2.gz MLNWSKRGZKZQHF-YJBOKZPZSA-N 1 3 317.477 2.562 20 0 DFADHO Clc1ccccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238493 301033370 /nfs/dbraw/zinc/03/33/70/301033370.db2.gz OBQHMUHVSGJMRF-MRXNPFEDSA-N 1 3 308.853 2.931 20 0 DFADHO Cc1ccc(F)c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530248341 301033680 /nfs/dbraw/zinc/03/36/80/301033680.db2.gz JGNTUYUSAVUVSD-QGZVFWFLSA-N 1 3 306.425 2.725 20 0 DFADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531954933 301121076 /nfs/dbraw/zinc/12/10/76/301121076.db2.gz IKVLAAYNQNNNFF-KGLIPLIRSA-N 1 3 301.434 2.564 20 0 DFADHO COc1cc(C)ccc1[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000532195803 301135833 /nfs/dbraw/zinc/13/58/33/301135833.db2.gz IHFUOZMESIHPOR-QGZVFWFLSA-N 1 3 319.493 2.682 20 0 DFADHO CN1CCCN(CCC[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000532215498 301137226 /nfs/dbraw/zinc/13/72/26/301137226.db2.gz ZYTGSSCHXQGTIT-SFHVURJKSA-N 1 3 321.896 2.945 20 0 DFADHO CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000532221123 301137721 /nfs/dbraw/zinc/13/77/21/301137721.db2.gz RZAWPSLVNQPRAK-FUHWJXTLSA-N 1 3 317.477 2.646 20 0 DFADHO CC1(C)CCC[C@H](CN2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000535070024 301247592 /nfs/dbraw/zinc/24/75/92/301247592.db2.gz MGEHFUPPKQXVRA-SFHVURJKSA-N 1 3 307.526 2.916 20 0 DFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000535229311 301251380 /nfs/dbraw/zinc/25/13/80/301251380.db2.gz KZNMXDUCFHMYJU-FGTMMUONSA-N 1 3 323.525 2.545 20 0 DFADHO CCc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)s1 ZINC000536664473 301286755 /nfs/dbraw/zinc/28/67/55/301286755.db2.gz DLTACTDNTQXYPX-QAPCUYQASA-N 1 3 321.534 2.768 20 0 DFADHO COCC1(NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000562771328 302000516 /nfs/dbraw/zinc/00/05/16/302000516.db2.gz VRNNLTDTZJRHHF-MRXNPFEDSA-N 1 3 302.462 2.851 20 0 DFADHO CC(C)C[C@@H](CNC(=O)[C@H](N)C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000563074919 302034565 /nfs/dbraw/zinc/03/45/65/302034565.db2.gz UOEPXNHVGOJHRU-BPQIPLTHSA-N 1 3 319.493 2.851 20 0 DFADHO C[C@H](CN[C@@H]1CCC[NH2+]CC1)c1nc(-c2ccccc2)no1 ZINC000563804427 302099332 /nfs/dbraw/zinc/09/93/32/302099332.db2.gz FWSJJKLFJQJIFZ-UKRRQHHQSA-N 1 3 300.406 2.572 20 0 DFADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@@](C)(O)C(F)(F)F ZINC000564076639 302117203 /nfs/dbraw/zinc/11/72/03/302117203.db2.gz FFOOLYVYPDHGCK-OAHLLOKOSA-N 1 3 318.383 2.930 20 0 DFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@](C)(O)C(F)(F)F ZINC000564076639 302117205 /nfs/dbraw/zinc/11/72/05/302117205.db2.gz FFOOLYVYPDHGCK-OAHLLOKOSA-N 1 3 318.383 2.930 20 0 DFADHO CSc1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCN(C)CC1)CCC2 ZINC000564729369 302154287 /nfs/dbraw/zinc/15/42/87/302154287.db2.gz OOIKKTYFHWSOMG-KRWDZBQOSA-N 1 3 320.502 2.832 20 0 DFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000564941145 302175879 /nfs/dbraw/zinc/17/58/79/302175879.db2.gz ALTGAYDKZANBQW-MSOLQXFVSA-N 1 3 317.477 2.800 20 0 DFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccsc3)CC2)CC1 ZINC000565186635 302204242 /nfs/dbraw/zinc/20/42/42/302204242.db2.gz YWKFZRADOCRWKJ-UHFFFAOYSA-N 1 3 321.490 2.883 20 0 DFADHO [NH3+][C@@H]1CCC[C@@H](NCCc2cc(Br)ccc2F)C1 ZINC000565491092 302227562 /nfs/dbraw/zinc/22/75/62/302227562.db2.gz NESOZIMVATVTMO-CHWSQXEVSA-N 1 3 315.230 2.990 20 0 DFADHO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc2c1CCNC2 ZINC000565949556 302250360 /nfs/dbraw/zinc/25/03/60/302250360.db2.gz ZBWJKQGKSIZONY-HNNXBMFYSA-N 1 3 301.434 2.535 20 0 DFADHO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc2c1CCNC2 ZINC000565949556 302250362 /nfs/dbraw/zinc/25/03/62/302250362.db2.gz ZBWJKQGKSIZONY-HNNXBMFYSA-N 1 3 301.434 2.535 20 0 DFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000567102850 302335569 /nfs/dbraw/zinc/33/55/69/302335569.db2.gz XKNRRFWTCUNCEV-LIRZEXBASA-N 1 3 315.461 2.847 20 0 DFADHO CCN(CC)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000567406960 302356923 /nfs/dbraw/zinc/35/69/23/302356923.db2.gz XUHPFOZTIJGWQM-JENIJYKNSA-N 1 3 319.493 2.938 20 0 DFADHO CC[C@@H](C)[C@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000567484161 302362962 /nfs/dbraw/zinc/36/29/62/302362962.db2.gz IMQBUAVADQYUSW-CVEARBPZSA-N 1 3 323.525 2.734 20 0 DFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)NCc1ccc(C[NH3+])cc1 ZINC000567613108 302373046 /nfs/dbraw/zinc/37/30/46/302373046.db2.gz NMDGXAWNLUOEPB-ZDUSSCGKSA-N 1 3 315.392 2.791 20 0 DFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000567642518 302376032 /nfs/dbraw/zinc/37/60/32/302376032.db2.gz OHGBHOHOUDIXHW-KBRIMQKVSA-N 1 3 309.885 2.920 20 0 DFADHO C[C@H](NC(C)(C)CNC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000570738804 302590492 /nfs/dbraw/zinc/59/04/92/302590492.db2.gz FBVHDIXNMIVYKY-HOTGVXAUSA-N 1 3 317.477 2.622 20 0 DFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000570928316 302598490 /nfs/dbraw/zinc/59/84/90/302598490.db2.gz CMOUCUHGBSFOOX-SFHVURJKSA-N 1 3 317.477 2.629 20 0 DFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000571669462 302627647 /nfs/dbraw/zinc/62/76/47/302627647.db2.gz NJTALCOGAWJGAD-KGLIPLIRSA-N 1 3 323.868 2.955 20 0 DFADHO [NH3+]CCC1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000574403698 302757308 /nfs/dbraw/zinc/75/73/08/302757308.db2.gz GPQWXBLZIPRTDR-IBGZPJMESA-N 1 3 318.461 2.805 20 0 DFADHO CC[C@H]1CCC[C@@H](CN2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000182958165 316124124 /nfs/dbraw/zinc/12/41/24/316124124.db2.gz KGNVAFMDKOCPLG-RBUKOAKNSA-N 1 3 307.526 2.916 20 0 DFADHO CCC[C@@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cccnc1 ZINC000185021613 316177815 /nfs/dbraw/zinc/17/78/15/316177815.db2.gz DQVDFLHABIABEK-FUHWJXTLSA-N 1 3 304.482 2.538 20 0 DFADHO COc1cc2c(cc1CN1CCC([C@@H](C)[NH3+])CC1)O[C@@H](C)C2 ZINC000317053807 316247184 /nfs/dbraw/zinc/24/71/84/316247184.db2.gz XGHOBTRNSCQBHB-QWHCGFSZSA-N 1 3 304.434 2.578 20 0 DFADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000450097936 317059453 /nfs/dbraw/zinc/05/94/53/317059453.db2.gz RQZDFGOLPGDWOI-BPQIPLTHSA-N 1 3 321.509 2.628 20 0 DFADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000450097936 317059457 /nfs/dbraw/zinc/05/94/57/317059457.db2.gz RQZDFGOLPGDWOI-BPQIPLTHSA-N 1 3 321.509 2.628 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000450432378 317092557 /nfs/dbraw/zinc/09/25/57/317092557.db2.gz ABXLSCUWAZCRCW-QWFCFKBJSA-N 1 3 316.489 2.959 20 0 DFADHO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000450432378 317092562 /nfs/dbraw/zinc/09/25/62/317092562.db2.gz ABXLSCUWAZCRCW-QWFCFKBJSA-N 1 3 316.489 2.959 20 0 DFADHO C[NH+](C)CCCN[C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453067340 317158922 /nfs/dbraw/zinc/15/89/22/317158922.db2.gz ZEQWEHJZJDGMDF-IAGOWNOFSA-N 1 3 310.869 2.971 20 0 DFADHO CC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccncc1 ZINC000453106438 317163284 /nfs/dbraw/zinc/16/32/84/317163284.db2.gz DKMPIQNVPFEWIV-CRAIPNDOSA-N 1 3 303.450 2.623 20 0 DFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(C)c2)[C@@H](C)C1 ZINC000453276952 317174664 /nfs/dbraw/zinc/17/46/64/317174664.db2.gz BGQSSUQRNJRHFZ-YJBOKZPZSA-N 1 3 305.466 2.617 20 0 DFADHO C[N@H+](CCCCNCc1cnc([C@H]2CCCO2)s1)C1CC1 ZINC000453596409 317192966 /nfs/dbraw/zinc/19/29/66/317192966.db2.gz LBWFJJIYKXHISF-OAHLLOKOSA-N 1 3 309.479 2.959 20 0 DFADHO C[N@@H+](CCCCNCc1cnc([C@H]2CCCO2)s1)C1CC1 ZINC000453596409 317192970 /nfs/dbraw/zinc/19/29/70/317192970.db2.gz LBWFJJIYKXHISF-OAHLLOKOSA-N 1 3 309.479 2.959 20 0 DFADHO CC(C)OC1CC([NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000459331135 317318558 /nfs/dbraw/zinc/31/85/58/317318558.db2.gz URXYQSCUGRDUGB-XYCLOBBJSA-N 1 3 324.509 2.764 20 0 DFADHO C[C@H]1CSCCN(C/C=C\C[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000488183686 317373341 /nfs/dbraw/zinc/37/33/41/317373341.db2.gz YFNVXGVTBIKNBF-SSGMOAHOSA-N 1 3 314.564 2.912 20 0 DFADHO C[C@H]1CSCCN(C/C=C\C[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000488183686 317373345 /nfs/dbraw/zinc/37/33/45/317373345.db2.gz YFNVXGVTBIKNBF-SSGMOAHOSA-N 1 3 314.564 2.912 20 0 DFADHO C[C@H]1CSCC[N@@H+](C/C=C\CN2CCSC[C@@H](C)C2)C1 ZINC000488183686 317373350 /nfs/dbraw/zinc/37/33/50/317373350.db2.gz YFNVXGVTBIKNBF-SSGMOAHOSA-N 1 3 314.564 2.912 20 0 DFADHO C[C@H]1CSCC[N@H+](C/C=C\CN2CCSC[C@@H](C)C2)C1 ZINC000488183686 317373353 /nfs/dbraw/zinc/37/33/53/317373353.db2.gz YFNVXGVTBIKNBF-SSGMOAHOSA-N 1 3 314.564 2.912 20 0 DFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000488420571 317391839 /nfs/dbraw/zinc/39/18/39/317391839.db2.gz WQMITKBMFNWGPN-LPHOPBHVSA-N 1 3 301.478 2.570 20 0 DFADHO Fc1ccc2c(c1)[C@@H](N1CCC(CO[C@@H]3CC[NH2+]C3)CC1)CC2 ZINC000530239144 317778047 /nfs/dbraw/zinc/77/80/47/317778047.db2.gz DKRVPEDKQWDQTN-MJGOQNOKSA-N 1 3 318.436 2.904 20 0 DFADHO CC1(C)CC(NCCC(=O)Nc2ccccc2)CC(C)(C)[NH2+]1 ZINC000558652535 317885429 /nfs/dbraw/zinc/88/54/29/317885429.db2.gz YNEJJSQPJRFVJK-UHFFFAOYSA-N 1 3 303.450 2.914 20 0 DFADHO CC(C)c1ccccc1OC[C@H](O)CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000575117011 318064408 /nfs/dbraw/zinc/06/44/08/318064408.db2.gz WGOOBDFSCORDBZ-YESZJQIVSA-N 1 3 320.477 2.622 20 0 DFADHO CC(C)c1ccccc1OC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000575117011 318064411 /nfs/dbraw/zinc/06/44/11/318064411.db2.gz WGOOBDFSCORDBZ-YESZJQIVSA-N 1 3 320.477 2.622 20 0 DFADHO C[C@H](NCC1CC[NH2+]CC1)c1nc2ccc(Cl)cc2n1C ZINC000575242599 318072132 /nfs/dbraw/zinc/07/21/32/318072132.db2.gz YVPOISPOTUZVFL-NSHDSACASA-N 1 3 306.841 2.877 20 0 DFADHO COc1cncc(/C=C/CCN2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000575744559 318080334 /nfs/dbraw/zinc/08/03/34/318080334.db2.gz CPEFKQWFXREJOG-YZTRRJNXSA-N 1 3 301.434 2.521 20 0 DFADHO COc1cncc(/C=C/CCN2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000575744559 318080336 /nfs/dbraw/zinc/08/03/36/318080336.db2.gz CPEFKQWFXREJOG-YZTRRJNXSA-N 1 3 301.434 2.521 20 0 DFADHO COc1cncc(/C=C/CCN2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000575744558 318080370 /nfs/dbraw/zinc/08/03/70/318080370.db2.gz CPEFKQWFXREJOG-YWPBOTNQSA-N 1 3 301.434 2.521 20 0 DFADHO COc1cncc(/C=C/CCN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000575744558 318080371 /nfs/dbraw/zinc/08/03/71/318080371.db2.gz CPEFKQWFXREJOG-YWPBOTNQSA-N 1 3 301.434 2.521 20 0 DFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000575984659 318096152 /nfs/dbraw/zinc/09/61/52/318096152.db2.gz BRLASLJXOJMYOF-NVXWUHKLSA-N 1 3 317.477 2.559 20 0 DFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000575984659 318096153 /nfs/dbraw/zinc/09/61/53/318096153.db2.gz BRLASLJXOJMYOF-NVXWUHKLSA-N 1 3 317.477 2.559 20 0 DFADHO C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)[C@H]1CCCNC1 ZINC000576695372 318143415 /nfs/dbraw/zinc/14/34/15/318143415.db2.gz MAHSDHWIXDFYRP-KGLIPLIRSA-N 1 3 303.425 2.838 20 0 DFADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000576746432 318147047 /nfs/dbraw/zinc/14/70/47/318147047.db2.gz HZWRGYSSTGKZPG-LEWJYISDSA-N 1 3 324.468 2.702 20 0 DFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000576746432 318147049 /nfs/dbraw/zinc/14/70/49/318147049.db2.gz HZWRGYSSTGKZPG-LEWJYISDSA-N 1 3 324.468 2.702 20 0 DFADHO c1ccc(CCOCCCN2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000578237529 318247665 /nfs/dbraw/zinc/24/76/65/318247665.db2.gz QLOSAGFTQCIPBC-IBGZPJMESA-N 1 3 302.462 2.711 20 0 DFADHO c1ccc(CCOCCC[N@@H+]2CC[C@@]3(C2)CCCNC3)cc1 ZINC000578237529 318247667 /nfs/dbraw/zinc/24/76/67/318247667.db2.gz QLOSAGFTQCIPBC-IBGZPJMESA-N 1 3 302.462 2.711 20 0 DFADHO c1ccc(CCOCCC[N@H+]2CC[C@@]3(C2)CCCNC3)cc1 ZINC000578237529 318247670 /nfs/dbraw/zinc/24/76/70/318247670.db2.gz QLOSAGFTQCIPBC-IBGZPJMESA-N 1 3 302.462 2.711 20 0 DFADHO FC(F)(F)COCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000578637776 318274694 /nfs/dbraw/zinc/27/46/94/318274694.db2.gz FUFSPNLRHCXKSJ-HZSPNIEDSA-N 1 3 308.388 2.856 20 0 DFADHO CC[NH+]1CCC(CNCc2cc(OC)c(OC)cc2F)CC1 ZINC000578777400 318285343 /nfs/dbraw/zinc/28/53/43/318285343.db2.gz IHRINZPPDDRXCT-UHFFFAOYSA-N 1 3 310.413 2.664 20 0 DFADHO Cc1ncncc1[C@@H](C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000579025031 318302922 /nfs/dbraw/zinc/30/29/22/318302922.db2.gz WEDWJTFUONNYAP-CQSZACIVSA-N 1 3 311.433 2.747 20 0 DFADHO C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)[C@@H]1CCCNC1 ZINC000579341986 318323419 /nfs/dbraw/zinc/32/34/19/318323419.db2.gz IKMRMUKRLQQZCG-IAGOWNOFSA-N 1 3 302.462 2.713 20 0 DFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(NC(=O)C2CCC2)c1 ZINC000579580774 318340148 /nfs/dbraw/zinc/34/01/48/318340148.db2.gz HUYXQHKKEBCZCO-NVXWUHKLSA-N 1 3 301.434 2.642 20 0 DFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(NC(=O)C2CCC2)c1 ZINC000579580775 318340212 /nfs/dbraw/zinc/34/02/12/318340212.db2.gz HUYXQHKKEBCZCO-RDJZCZTQSA-N 1 3 301.434 2.642 20 0 DFADHO COc1cccc(N2CCC[C@H](N[C@@H]3CCCCC[C@H]3[NH3+])C2)c1 ZINC000579699316 318348432 /nfs/dbraw/zinc/34/84/32/318348432.db2.gz ANXNXYNEBXYQKR-KFKAGJAMSA-N 1 3 317.477 2.914 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C)C2)CCN1Cc1ccccc1 ZINC000379631640 323289896 /nfs/dbraw/zinc/28/98/96/323289896.db2.gz RQDASHMIJYBOOV-YZGWKJHDSA-N 1 3 315.505 2.971 20 0 DFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379645724 323290822 /nfs/dbraw/zinc/29/08/22/323290822.db2.gz DMEIMIRLNQZELW-FPAYPSAMSA-N 1 3 301.478 2.627 20 0 DFADHO COCCN(Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000384354053 323306408 /nfs/dbraw/zinc/30/64/08/323306408.db2.gz DMPIUBMULHJREH-UHFFFAOYSA-N 1 3 310.441 2.981 20 0 DFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000387502374 323325385 /nfs/dbraw/zinc/32/53/85/323325385.db2.gz CTYMPVIZMCONTE-MRXNPFEDSA-N 1 3 321.465 2.590 20 0 DFADHO C[C@@H](Cc1ccsc1)[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000580498785 323392346 /nfs/dbraw/zinc/39/23/46/323392346.db2.gz ASJRIKJNNBSAAE-INIZCTEOSA-N 1 3 321.534 2.639 20 0 DFADHO C[NH+](C)CCc1ccc(NC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000583561931 323878456 /nfs/dbraw/zinc/87/84/56/323878456.db2.gz UHRAHNBIYMLBEJ-IBGZPJMESA-N 1 3 323.440 2.616 20 0 DFADHO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)CCN1C ZINC000309746989 533951190 /nfs/dbraw/zinc/95/11/90/533951190.db2.gz UTIRFYZKEUABCP-MISYRCLQSA-N 1 3 315.505 2.971 20 0 DFADHO C(CO[C@H]1CCCCO1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000364114855 518393349 /nfs/dbraw/zinc/39/33/49/518393349.db2.gz BGORNOXNRJRAQX-SFHVURJKSA-N 1 3 310.482 2.728 20 0 DFADHO C(CO[C@@H]1CCCCO1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000364114854 518394545 /nfs/dbraw/zinc/39/45/45/518394545.db2.gz BGORNOXNRJRAQX-GOSISDBHSA-N 1 3 310.482 2.728 20 0 DFADHO CC(C)c1ccc([C@H](N)CNC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000154523107 519840087 /nfs/dbraw/zinc/84/00/87/519840087.db2.gz ZEYMDFMXJHYWEJ-GOSISDBHSA-N 1 3 317.477 2.706 20 0 DFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OC)cc1F ZINC000165941269 520292031 /nfs/dbraw/zinc/29/20/31/520292031.db2.gz QWXZGJSOBNCKMJ-HIFRSBDPSA-N 1 3 312.429 2.842 20 0 DFADHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CCCC[C@@H]1O ZINC000364986969 522661167 /nfs/dbraw/zinc/66/11/67/522661167.db2.gz LLQYXADKPPCFLL-MSOLQXFVSA-N 1 3 303.450 2.533 20 0 DFADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CCCC[C@@H]1O ZINC000364986969 522661176 /nfs/dbraw/zinc/66/11/76/522661176.db2.gz LLQYXADKPPCFLL-MSOLQXFVSA-N 1 3 303.450 2.533 20 0 DFADHO CN(C[C@@H]1CCCCO1)[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC000156957533 523035445 /nfs/dbraw/zinc/03/54/45/523035445.db2.gz CPBRGMWGXPEWID-QYZOEREBSA-N 1 3 324.509 2.911 20 0 DFADHO CN(C[C@@H]1CCCCO1)[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC000156957533 523035451 /nfs/dbraw/zinc/03/54/51/523035451.db2.gz CPBRGMWGXPEWID-QYZOEREBSA-N 1 3 324.509 2.911 20 0 DFADHO [NH3+]Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000332566233 534693961 /nfs/dbraw/zinc/69/39/61/534693961.db2.gz XELXYWCLPAGWRS-UHFFFAOYSA-N 1 3 316.449 2.628 20 0 DFADHO Cc1nccn1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310320785 534774574 /nfs/dbraw/zinc/77/45/74/534774574.db2.gz YPIAYMWLCUCSPL-VQTJNVASSA-N 1 3 324.472 2.645 20 0 DFADHO Cc1nccn1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310320785 534774582 /nfs/dbraw/zinc/77/45/82/534774582.db2.gz YPIAYMWLCUCSPL-VQTJNVASSA-N 1 3 324.472 2.645 20 0 DFADHO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000128344324 524998286 /nfs/dbraw/zinc/99/82/86/524998286.db2.gz ZADWXJSPWVYYHW-LPHOPBHVSA-N 1 3 301.478 2.537 20 0 DFADHO FC(F)(F)Cn1cc(CNCCCCC[NH+]2CCCC2)cn1 ZINC000339496455 527673719 /nfs/dbraw/zinc/67/37/19/527673719.db2.gz BLURMBOZHXMENL-UHFFFAOYSA-N 1 3 318.387 2.801 20 0 DFADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000294841140 527831654 /nfs/dbraw/zinc/83/16/54/527831654.db2.gz BDQZWWKPNUEVSB-UHOSZYNNSA-N 1 3 304.478 2.906 20 0 DFADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000294841140 527831660 /nfs/dbraw/zinc/83/16/60/527831660.db2.gz BDQZWWKPNUEVSB-UHOSZYNNSA-N 1 3 304.478 2.906 20 0 DFADHO CCN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000328297749 527885805 /nfs/dbraw/zinc/88/58/05/527885805.db2.gz WQVCEHPNWLUWGJ-FUMNGEBKSA-N 1 3 313.489 2.581 20 0 DFADHO CC1=CC[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)CC1 ZINC000294445936 528123284 /nfs/dbraw/zinc/12/32/84/528123284.db2.gz YASBMFIODDIHFX-SFHVURJKSA-N 1 3 315.461 2.566 20 0 DFADHO CCN(CC)[C@H](CNC(=O)[C@]1(CC)CC[NH2+]C1)c1ccccc1 ZINC000320491460 528277462 /nfs/dbraw/zinc/27/74/62/528277462.db2.gz VUKVVFYTYXZRHJ-IEBWSBKVSA-N 1 3 317.477 2.575 20 0 DFADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000294903912 528539665 /nfs/dbraw/zinc/53/96/65/528539665.db2.gz ZMLIPWGZKFALNM-RDJZCZTQSA-N 1 3 305.466 2.574 20 0 DFADHO CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000236813628 535044751 /nfs/dbraw/zinc/04/47/51/535044751.db2.gz IENWXJDYZRSTPP-MSOLQXFVSA-N 1 3 317.477 2.675 20 0 DFADHO CN(C)CCOC1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000353545392 535893274 /nfs/dbraw/zinc/89/32/74/535893274.db2.gz DDQSNOUARKHTKK-HKUYNNGSSA-N 1 3 302.462 2.833 20 0 DFADHO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000682409246 545842118 /nfs/dbraw/zinc/84/21/18/545842118.db2.gz LHLOGZZIFDUEET-MDZRGWNJSA-N 1 3 320.477 2.608 20 0 DFADHO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000682409246 545842122 /nfs/dbraw/zinc/84/21/22/545842122.db2.gz LHLOGZZIFDUEET-MDZRGWNJSA-N 1 3 320.477 2.608 20 0 DFADHO CC1(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000683765803 546090849 /nfs/dbraw/zinc/09/08/49/546090849.db2.gz HPSMOZQVQVNXJT-UHFFFAOYSA-N 1 3 315.505 2.974 20 0 DFADHO C[N@@H+]1CCCN(CCCNCc2ncc(C(C)(C)C)s2)CC1 ZINC000684111868 546153745 /nfs/dbraw/zinc/15/37/45/546153745.db2.gz SVZOWLFWZWZETP-UHFFFAOYSA-N 1 3 324.538 2.558 20 0 DFADHO C[N@H+]1CCCN(CCCNCc2ncc(C(C)(C)C)s2)CC1 ZINC000684111868 546153748 /nfs/dbraw/zinc/15/37/48/546153748.db2.gz SVZOWLFWZWZETP-UHFFFAOYSA-N 1 3 324.538 2.558 20 0 DFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3cccnc32)C[C@@H](C)O1 ZINC000684955321 546308108 /nfs/dbraw/zinc/30/81/08/546308108.db2.gz LCEOIKFROMBFFK-JFIYKMOQSA-N 1 3 317.477 2.938 20 0 DFADHO C[C@@H](Cc1ccsc1)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457668 546353706 /nfs/dbraw/zinc/35/37/06/546353706.db2.gz ITIZIPHRHDRGDR-YJBOKZPZSA-N 1 3 321.534 2.779 20 0 DFADHO C[C@@H](Cc1ccsc1)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457668 546353709 /nfs/dbraw/zinc/35/37/09/546353709.db2.gz ITIZIPHRHDRGDR-YJBOKZPZSA-N 1 3 321.534 2.779 20 0 DFADHO